From aa2a88fd463512e42e43e338b807ed662d9de19c Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 22 May 2024 20:04:49 +0200 Subject: [PATCH 001/133] Start working on MMCIF parser --- package/MDAnalysis/topology/MMCIFParser.py | 150 +++++++++++++++++++++ package/MDAnalysis/topology/__init__.py | 1 + 2 files changed, 151 insertions(+) create mode 100644 package/MDAnalysis/topology/MMCIFParser.py diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py new file mode 100644 index 00000000000..5c155ec3c79 --- /dev/null +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -0,0 +1,150 @@ +# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- +# vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 +# +# MDAnalysis --- https://www.mdanalysis.org +# Copyright (c) 2006-2017 The MDAnalysis Development Team and contributors +# (see the file AUTHORS for the full list of names) +# +# Released under the GNU Public Licence, v2 or any higher version +# +# Please cite your use of MDAnalysis in published work: +# +# R. J. Gowers, M. Linke, J. Barnoud, T. J. E. Reddy, M. N. Melo, S. L. Seyler, +# D. L. Dotson, J. Domanski, S. Buchoux, I. M. Kenney, and O. Beckstein. +# MDAnalysis: A Python package for the rapid analysis of molecular dynamics +# simulations. In S. Benthall and S. Rostrup editors, Proceedings of the 15th +# Python in Science Conference, pages 102-109, Austin, TX, 2016. SciPy. +# doi: 10.25080/majora-629e541a-00e +# +# N. Michaud-Agrawal, E. J. Denning, T. B. Woolf, and O. Beckstein. +# MDAnalysis: A Toolkit for the Analysis of Molecular Dynamics Simulations. +# J. Comput. Chem. 32 (2011), 2319--2327, doi:10.1002/jcc.21787 +# TODO + +""" +MMCIF Topology Parser # TODO +=================== + +.. versionadded:: 0.9.1 + +Reads an xyz file and pulls the atom information from it. Because +xyz only has atom name information, all information about residues +and segments won't be populated. + +Classes +------- + +.. autoclass:: XYZParser + :members: + +""" + +from .base import TopologyReaderBase +from ..core.topology import Topology +from ..core.topologyattrs import ( + Atomnames, + Atomids, + AltLocs, + ChainIDs, + Atomtypes, + Elements, + ICodes, + Masses, + Occupancies, + RecordTypes, + Resids, + Resnames, + Segids, + Tempfactors, + FormalCharges, +) + + +class MMCIFParser(TopologyReaderBase): + """Parse a list of atoms from an XYZ file. + + Creates the following attributes: + - Atomnames + - TODO + + + .. versionadded:: 2.8.0 + """ + + format = "MMCIF" + + def parse(self, **kwargs): + """Read the file and return the structure. + + Returns + ------- + MDAnalysis Topology object + """ + import gemmi + + structure = gemmi.read_structure(self.filename) + + ( + names, + atomtypes, + record_types, + serials, + altlocs, + chainids, + icodes, + tempfactors, + occupancies, + resids, + resnames, + segids, + elements, + formalcharges, + weights, + ) = list(zip(*[ + ( + at.name, + at.element.name, + res.het_flag, + at.serial, + at.altloc, + chain.name, + res.seqid.icode, + at.b_iso, + at.occ, + res.label_seq, + res.name, + res.segment, + at.element.name, + at.charge, + at.element.weight, + ) + for model in structure + for chain in model + for res in chain + for at in res + ])) + + print(resids) + + attrs = [ + Atomnames(names), + Atomtypes(atomtypes), + RecordTypes(record_types), + Atomids(serials), + AltLocs(altlocs), + ChainIDs(chainids), + ICodes(icodes), + Tempfactors(tempfactors), + Occupancies(occupancies), + Resids(resids), + Resnames(resnames), + Segids(segids), + Elements(elements), + FormalCharges(formalcharges), + Masses(weights), + ] + + n_atoms = n_residues = n_segments = 1 + top = Topology(n_atoms, n_residues, n_segments, attrs=attrs) + + return top diff --git a/package/MDAnalysis/topology/__init__.py b/package/MDAnalysis/topology/__init__.py index 32df510f47e..058d142737e 100644 --- a/package/MDAnalysis/topology/__init__.py +++ b/package/MDAnalysis/topology/__init__.py @@ -333,3 +333,4 @@ from . import MinimalParser from . import ITPParser from . import FHIAIMSParser +from . import MMCIFParser \ No newline at end of file From 218cf436fcd5bf7ccccd68059aab98fe8fe8a11f Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 22 May 2024 22:24:38 +0200 Subject: [PATCH 002/133] Add first (not working) version of MMCIFReader and MMCIF topology parser --- package/MDAnalysis/coordinates/MMCIF.py | 37 ++++++++++++ package/MDAnalysis/coordinates/__init__.py | 1 + package/MDAnalysis/topology/MMCIFParser.py | 68 ++++++++++++---------- 3 files changed, 75 insertions(+), 31 deletions(-) create mode 100644 package/MDAnalysis/coordinates/MMCIF.py diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py new file mode 100644 index 00000000000..c896f98c62a --- /dev/null +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -0,0 +1,37 @@ +import numpy as np +import gemmi +import logging +from . import base + +logger = logging.getLogger("MDAnalysis.coordinates.MMCIF") + + +class MMCIFReader(base.SingleFrameReaderBase): + """Reads from an MMCIF file""" + + format = "MMCIF" + units = {"time": None, "length": "Angstrom"} + + def _read_first_frame(self): + structure = gemmi.read_structure(self.filename) + coords = np.array( + [ + [*at.pos.tolist()] + for model in structure + for chain in model + for res in chain + for at in res + ] + ) + self.n_atoms = len(coords) + self.ts = self._Timestep.from_coordinates(coords, **self._ts_kwargs) + self.ts.frame = 0 + + def Writer(self, filename, n_atoms=None, **kwargs): + raise NotImplementedError + + def close(self): + pass + + +class MMCIFWriter(base.WriterBase): ... diff --git a/package/MDAnalysis/coordinates/__init__.py b/package/MDAnalysis/coordinates/__init__.py index 9b6a7121bc9..b8b4ac41f7f 100644 --- a/package/MDAnalysis/coordinates/__init__.py +++ b/package/MDAnalysis/coordinates/__init__.py @@ -791,3 +791,4 @@ class can choose an appropriate reader automatically. from . import NAMDBIN from . import FHIAIMS from . import TNG +from . import MMCIF \ No newline at end of file diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 5c155ec3c79..7d47a2d0629 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -48,13 +48,13 @@ ChainIDs, Atomtypes, Elements, - ICodes, + # ICodes, Masses, Occupancies, RecordTypes, Resids, Resnames, - Segids, + # Segids, Tempfactors, FormalCharges, ) @@ -84,6 +84,8 @@ def parse(self, **kwargs): structure = gemmi.read_structure(self.filename) + # here we freaking go + ( names, atomtypes, @@ -91,40 +93,42 @@ def parse(self, **kwargs): serials, altlocs, chainids, - icodes, + # icodes, tempfactors, occupancies, resids, resnames, - segids, + # segids, elements, formalcharges, weights, - ) = list(zip(*[ - ( - at.name, - at.element.name, - res.het_flag, - at.serial, - at.altloc, - chain.name, - res.seqid.icode, - at.b_iso, - at.occ, - res.label_seq, - res.name, - res.segment, - at.element.name, - at.charge, - at.element.weight, + ) = list( + zip( + *[ + ( + at.name, # names + at.element.name, # atomtypes + res.het_flag, # record_types + at.serial, # serials + at.altloc, # altlocs + chain.name, # chainids + # res.seqid.icode, # icodes + at.b_iso, # tempfactores + at.occ, # occupancies + res.seqid.num, # resids + res.name, # resnames + # res.segment, # segids + at.element.name, # elements + at.charge, # formalcharges + at.element.weight, # weights + ) + for model in structure + for chain in model + for res in chain + for at in res + ] ) - for model in structure - for chain in model - for res in chain - for at in res - ])) - - print(resids) + ) attrs = [ Atomnames(names), @@ -133,18 +137,20 @@ def parse(self, **kwargs): Atomids(serials), AltLocs(altlocs), ChainIDs(chainids), - ICodes(icodes), + # ICodes(icodes), Tempfactors(tempfactors), Occupancies(occupancies), Resids(resids), Resnames(resnames), - Segids(segids), + # Segids(segids), Elements(elements), FormalCharges(formalcharges), Masses(weights), ] - n_atoms = n_residues = n_segments = 1 + n_atoms = len(names) + n_residues = len(resids) + n_segments = 1 top = Topology(n_atoms, n_residues, n_segments, attrs=attrs) return top From 7f78e024dcc916972643300fe2808843415b32ac Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 22 May 2024 22:57:40 +0200 Subject: [PATCH 003/133] Do some squashing --- package/MDAnalysis/topology/MMCIFParser.py | 132 +++++++++++++-------- 1 file changed, 82 insertions(+), 50 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 7d47a2d0629..d7e8b431dd1 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -39,7 +39,8 @@ """ -from .base import TopologyReaderBase +import numpy as np +from .base import TopologyReaderBase, change_squash from ..core.topology import Topology from ..core.topologyattrs import ( Atomnames, @@ -48,13 +49,13 @@ ChainIDs, Atomtypes, Elements, - # ICodes, + ICodes, Masses, Occupancies, RecordTypes, Resids, Resnames, - # Segids, + Segids, Tempfactors, FormalCharges, ) @@ -85,72 +86,103 @@ def parse(self, **kwargs): structure = gemmi.read_structure(self.filename) # here we freaking go - ( - names, + # atom properties -- no squashing! + # -- + altlocs, atomtypes, - record_types, + elements, + formalcharges, + names, serials, - altlocs, - chainids, - # icodes, tempfactors, occupancies, + weights, + # -- + # residue properties -- some squashing... + # -- + icodes, + record_types, resids, resnames, - # segids, - elements, - formalcharges, - weights, - ) = list( - zip( - *[ - ( - at.name, # names - at.element.name, # atomtypes - res.het_flag, # record_types - at.serial, # serials - at.altloc, # altlocs - chain.name, # chainids - # res.seqid.icode, # icodes - at.b_iso, # tempfactores - at.occ, # occupancies - res.seqid.num, # resids - res.name, # resnames - # res.segment, # segids - at.element.name, # elements - at.charge, # formalcharges - at.element.weight, # weights - ) - for model in structure - for chain in model - for res in chain - for at in res - ] + segids, + # -- + # chain properties -- lots of squashing... + # -- + chainids, + ) = map( + np.array, + list( + zip( + *[ + ( + # atom properties -- no squashing! + # -- + at.altloc, # altlocs + at.element.name, # atomtypes + at.element.name, # elements + at.charge, # formalcharges + at.name, # names + at.serial, # serials + at.b_iso, # tempfactores + at.occ, # occupancies + at.element.weight, # weights + # -- + # residue properties -- some squashing... + # -- + res.seqid.icode, # icodes + res.het_flag, # record_types + res.seqid.num, # resids + res.name, # resnames + res.segment, # segids + # -- + # chain properties -- lots of squashing... + # -- + chain.name, # chainids + ) + for model in structure + for chain in model + for res in chain + for at in res + ] + ) + ), + ) + + # squash residue-based attributes + _, (res_icodes, res_record_types, res_resids, res_resnames, res_segids) = ( + change_squash( + (resids, resnames), + (icodes, record_types, resids, resnames, segids), ) ) + # squash chain-based attributes + _, (chain_chainids,) = change_squash((chainids,), (chainids,)) attrs = [ - Atomnames(names), + # per atom + AltLocs(altlocs), Atomtypes(atomtypes), - RecordTypes(record_types), + Elements(elements), + FormalCharges(formalcharges), + Atomnames(names), Atomids(serials), - AltLocs(altlocs), - ChainIDs(chainids), - # ICodes(icodes), Tempfactors(tempfactors), Occupancies(occupancies), - Resids(resids), - Resnames(resnames), - # Segids(segids), - Elements(elements), - FormalCharges(formalcharges), Masses(weights), + # per residue + # ICodes(res_icodes), + # RecordTypes(res_record_types), + Resids(res_resids), + Resnames(res_resnames), + Segids(res_segids), + # per chain + ChainIDs(chainids), ] n_atoms = len(names) - n_residues = len(resids) - n_segments = 1 + n_residues = len(res_resids) + n_segments = len(res_segids) top = Topology(n_atoms, n_residues, n_segments, attrs=attrs) return top From 6682d6e42c3992d8e16631248f2412ded1658072 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 22 May 2024 22:59:45 +0200 Subject: [PATCH 004/133] Remove inherited docs --- package/MDAnalysis/topology/MMCIFParser.py | 46 ---------------------- 1 file changed, 46 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index d7e8b431dd1..5a88ab61f2e 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -1,42 +1,6 @@ -# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- -# vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 -# -# MDAnalysis --- https://www.mdanalysis.org -# Copyright (c) 2006-2017 The MDAnalysis Development Team and contributors -# (see the file AUTHORS for the full list of names) -# -# Released under the GNU Public Licence, v2 or any higher version -# -# Please cite your use of MDAnalysis in published work: -# -# R. J. Gowers, M. Linke, J. Barnoud, T. J. E. Reddy, M. N. Melo, S. L. Seyler, -# D. L. Dotson, J. Domanski, S. Buchoux, I. M. Kenney, and O. Beckstein. -# MDAnalysis: A Python package for the rapid analysis of molecular dynamics -# simulations. In S. Benthall and S. Rostrup editors, Proceedings of the 15th -# Python in Science Conference, pages 102-109, Austin, TX, 2016. SciPy. -# doi: 10.25080/majora-629e541a-00e -# -# N. Michaud-Agrawal, E. J. Denning, T. B. Woolf, and O. Beckstein. -# MDAnalysis: A Toolkit for the Analysis of Molecular Dynamics Simulations. -# J. Comput. Chem. 32 (2011), 2319--2327, doi:10.1002/jcc.21787 -# TODO - """ MMCIF Topology Parser # TODO =================== - -.. versionadded:: 0.9.1 - -Reads an xyz file and pulls the atom information from it. Because -xyz only has atom name information, all information about residues -and segments won't be populated. - -Classes -------- - -.. autoclass:: XYZParser - :members: - """ import numpy as np @@ -62,16 +26,6 @@ class MMCIFParser(TopologyReaderBase): - """Parse a list of atoms from an XYZ file. - - Creates the following attributes: - - Atomnames - - TODO - - - .. versionadded:: 2.8.0 - """ - format = "MMCIF" def parse(self, **kwargs): From 817f3a0e92b3dec9954cee98af3b76f11b8cd3fe Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 22 May 2024 23:29:37 +0200 Subject: [PATCH 005/133] Try improving the parsing --- package/MDAnalysis/topology/MMCIFParser.py | 22 ++++++++++++---------- 1 file changed, 12 insertions(+), 10 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 5a88ab61f2e..511b137d366 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -73,7 +73,7 @@ def parse(self, **kwargs): # atom properties -- no squashing! # -- at.altloc, # altlocs - at.element.name, # atomtypes + at.name, # atomtypes at.element.name, # elements at.charge, # formalcharges at.name, # names @@ -82,7 +82,7 @@ def parse(self, **kwargs): at.occ, # occupancies at.element.weight, # weights # -- - # residue properties -- some squashing... + # residue properties # -- res.seqid.icode, # icodes res.het_flag, # record_types @@ -90,7 +90,7 @@ def parse(self, **kwargs): res.name, # resnames res.segment, # segids # -- - # chain properties -- lots of squashing... + # chain properties # -- chain.name, # chainids ) @@ -112,6 +112,7 @@ def parse(self, **kwargs): ) # squash chain-based attributes _, (chain_chainids,) = change_squash((chainids,), (chainids,)) + _, (seg_segids,) = change_squash((res_segids,), (res_segids,)) attrs = [ # per atom @@ -125,18 +126,19 @@ def parse(self, **kwargs): Occupancies(occupancies), Masses(weights), # per residue - # ICodes(res_icodes), - # RecordTypes(res_record_types), - Resids(res_resids), - Resnames(res_resnames), - Segids(res_segids), + ICodes(res_icodes), # for each atom + RecordTypes(record_types), # for atom too? + Resids(res_resids), # for residue + Resnames(res_resnames), # for residue + # + Segids(seg_segids), # for segment (currently for residue) # per chain - ChainIDs(chainids), + ChainIDs(chainids), # actually for atom ] n_atoms = len(names) n_residues = len(res_resids) - n_segments = len(res_segids) + n_segments = len(seg_segids) top = Topology(n_atoms, n_residues, n_segments, attrs=attrs) return top From 3cc8c808d9c093b4228088960e8b4ca7bd698c41 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 30 May 2024 12:16:02 +0200 Subject: [PATCH 006/133] Try three independent loops over the model --- package/MDAnalysis/topology/MMCIFParser.py | 73 +++++++++------------- 1 file changed, 30 insertions(+), 43 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 511b137d366..e8ec3bba07d 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -39,10 +39,8 @@ def parse(self, **kwargs): structure = gemmi.read_structure(self.filename) - # here we freaking go + # atom properties ( - # atom properties -- no squashing! - # -- altlocs, atomtypes, elements, @@ -52,26 +50,12 @@ def parse(self, **kwargs): tempfactors, occupancies, weights, - # -- - # residue properties -- some squashing... - # -- - icodes, - record_types, - resids, - resnames, - segids, - # -- - # chain properties -- lots of squashing... - # -- - chainids, ) = map( np.array, list( zip( *[ ( - # atom properties -- no squashing! - # -- at.altloc, # altlocs at.name, # atomtypes at.element.name, # elements @@ -81,39 +65,42 @@ def parse(self, **kwargs): at.b_iso, # tempfactores at.occ, # occupancies at.element.weight, # weights - # -- - # residue properties - # -- + ) + for model in structure + for chain in model + for res in chain + for at in res + ] + ) + ), + ) + # per-residue properties + ( + icodes, + record_types, + resids, + resnames, + segids, + ) = map( + np.array, + list( + zip( + *[ + ( res.seqid.icode, # icodes res.het_flag, # record_types res.seqid.num, # resids res.name, # resnames res.segment, # segids - # -- - # chain properties - # -- - chain.name, # chainids ) for model in structure for chain in model for res in chain - for at in res ] ) ), ) - # squash residue-based attributes - _, (res_icodes, res_record_types, res_resids, res_resnames, res_segids) = ( - change_squash( - (resids, resnames), - (icodes, record_types, resids, resnames, segids), - ) - ) - # squash chain-based attributes - _, (chain_chainids,) = change_squash((chainids,), (chainids,)) - _, (seg_segids,) = change_squash((res_segids,), (res_segids,)) - attrs = [ # per atom AltLocs(altlocs), @@ -126,19 +113,19 @@ def parse(self, **kwargs): Occupancies(occupancies), Masses(weights), # per residue - ICodes(res_icodes), # for each atom + ICodes(icodes), # for each atom RecordTypes(record_types), # for atom too? - Resids(res_resids), # for residue - Resnames(res_resnames), # for residue + Resids(resids), # for residue + Resnames(resnames), # for residue # - Segids(seg_segids), # for segment (currently for residue) + # Segids(segids), # for segment (currently for residue) # per chain - ChainIDs(chainids), # actually for atom + # ChainIDs(chainids), # actually for atom ] n_atoms = len(names) - n_residues = len(res_resids) - n_segments = len(seg_segids) + n_residues = len(resids) + n_segments = len(segids) top = Topology(n_atoms, n_residues, n_segments, attrs=attrs) return top From d21c220a9795137b99d11da50fccb59b0a54ae9e Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 13 Sep 2024 22:32:46 +0200 Subject: [PATCH 007/133] Add gemmi dependency --- package/pyproject.toml | 1 + 1 file changed, 1 insertion(+) diff --git a/package/pyproject.toml b/package/pyproject.toml index 1880d88fd0d..2f7ba8b90d5 100644 --- a/package/pyproject.toml +++ b/package/pyproject.toml @@ -78,6 +78,7 @@ extra_formats = [ "pytng>=0.2.3", "gsd>3.0.0", "rdkit>=2020.03.1", + "gemmi", # for mmcif format ] analysis = [ "biopython>=1.80", From 2a1be15a5b0fe9c46103cbd598a4b4d00cfafa1e Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 20 Sep 2024 21:25:27 +0200 Subject: [PATCH 008/133] necessary params --- package/MDAnalysis/topology/MMCIFParser.py | 115 +++++++++++---------- 1 file changed, 58 insertions(+), 57 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index e8ec3bba07d..c29790c53be 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -3,26 +3,29 @@ =================== """ +import gemmi import numpy as np -from .base import TopologyReaderBase, change_squash +import warnings + from ..core.topology import Topology from ..core.topologyattrs import ( - Atomnames, - Atomids, AltLocs, - ChainIDs, + Atomids, + Atomnames, Atomtypes, + ChainIDs, Elements, + FormalCharges, ICodes, Masses, Occupancies, RecordTypes, Resids, Resnames, - Segids, Tempfactors, - FormalCharges, + Segids, ) +from .base import TopologyReaderBase, change_squash class MMCIFParser(TopologyReaderBase): @@ -35,22 +38,32 @@ def parse(self, **kwargs): ------- MDAnalysis Topology object """ - import gemmi - structure = gemmi.read_structure(self.filename) + if len(structure) > 1: + warnings.warn( + "MMCIF model {self.filename} contains {len(model)=} different models, " + "but only the first one will be used to assign the topology" + ) + model = structure[0] + # atom properties ( - altlocs, - atomtypes, - elements, - formalcharges, - names, - serials, - tempfactors, - occupancies, - weights, - ) = map( + altlocs, # at.altlog + atomtypes, # at.name + elements, # at.element.name + formalcharges, # at.charge + names, # at.name + serials, # at.serial + tempfactors, # at.b_iso + occupancies, # at.occ + weights, # at.element.weight + record_types, # res.het_flag TODO: match to ATOM/HETATM + chainids, # chain.name + resids, # res.seqid.num + resnames, # res.name + icodes, # residue.seqid.icode + ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif np.array, list( zip( @@ -65,8 +78,12 @@ def parse(self, **kwargs): at.b_iso, # tempfactores at.occ, # occupancies at.element.weight, # weights + res.het_flag, + chain.name, # chainids + res.seqid.num, + res.name, + res.seqid.icode, ) - for model in structure for chain in model for res in chain for at in res @@ -74,58 +91,42 @@ def parse(self, **kwargs): ) ), ) - # per-residue properties - ( - icodes, - record_types, - resids, - resnames, - segids, - ) = map( - np.array, - list( - zip( - *[ - ( - res.seqid.icode, # icodes - res.het_flag, # record_types - res.seqid.num, # resids - res.name, # resnames - res.segment, # segids - ) - for model in structure - for chain in model - for res in chain - ] - ) - ), - ) + + # fill in altlocs + altlocs = ["A" if not elem else elem for elem in altlocs] attrs = [ - # per atom + # AtomAttr subclasses AltLocs(altlocs), + Atomids(serials), + Atomnames(names), Atomtypes(atomtypes), + ChainIDs(chainids), # actually for atom Elements(elements), FormalCharges(formalcharges), - Atomnames(names), - Atomids(serials), - Tempfactors(tempfactors), - Occupancies(occupancies), Masses(weights), - # per residue - ICodes(icodes), # for each atom + Occupancies(occupancies), RecordTypes(record_types), # for atom too? + Tempfactors(tempfactors), + # ResidueAttr subclasses + ICodes(icodes), # for each atom Resids(resids), # for residue Resnames(resnames), # for residue - # - # Segids(segids), # for segment (currently for residue) - # per chain - # ChainIDs(chainids), # actually for atom + # SegmentAttr subclasses + Segids(segids), ] n_atoms = len(names) n_residues = len(resids) - n_segments = len(segids) + n_segments = len(set(chainids)) + + print(resids) + print(change_squash(resids, resids)) + top = Topology(n_atoms, n_residues, n_segments, attrs=attrs) + print(f"{n_atoms=}") + print(f"{n_residues=}") + print(f"{n_segments=}") + return top From 77645e67d10ba047c872cc37b42d5619b7458bfa Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 20 Sep 2024 21:50:04 +0200 Subject: [PATCH 009/133] finished sorting atom attrs --- package/MDAnalysis/topology/MMCIFParser.py | 54 +++++++++++++--------- 1 file changed, 31 insertions(+), 23 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index c29790c53be..05ab2c086a9 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -49,18 +49,21 @@ def parse(self, **kwargs): # atom properties ( - altlocs, # at.altlog + altlocs, # at.altloc + serials, # at.serial + names, # at.name atomtypes, # at.name + # ------------------ + chainids, # chain.name elements, # at.element.name formalcharges, # at.charge - names, # at.name - serials, # at.serial - tempfactors, # at.b_iso - occupancies, # at.occ weights, # at.element.weight + # ------------------ + occupancies, # at.occ record_types, # res.het_flag TODO: match to ATOM/HETATM - chainids, # chain.name + tempfactors, # at.b_iso resids, # res.seqid.num + # ------------------ resnames, # res.name icodes, # residue.seqid.icode ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif @@ -70,17 +73,20 @@ def parse(self, **kwargs): *[ ( at.altloc, # altlocs + at.serial, # serials + at.name, # names at.name, # atomtypes + # ------------------ + chain.name, # chainids at.element.name, # elements at.charge, # formalcharges - at.name, # names - at.serial, # serials - at.b_iso, # tempfactores - at.occ, # occupancies at.element.weight, # weights - res.het_flag, - chain.name, # chainids + # ------------------ + at.occ, # occupancies + res.het_flag, # record_types + at.b_iso, # tempfactors res.seqid.num, + # ------------------ res.name, res.seqid.icode, ) @@ -97,17 +103,19 @@ def parse(self, **kwargs): attrs = [ # AtomAttr subclasses - AltLocs(altlocs), - Atomids(serials), - Atomnames(names), - Atomtypes(atomtypes), - ChainIDs(chainids), # actually for atom - Elements(elements), - FormalCharges(formalcharges), - Masses(weights), - Occupancies(occupancies), - RecordTypes(record_types), # for atom too? - Tempfactors(tempfactors), + AltLocs(altlocs), # ✅ + Atomids(serials), # ✅ + Atomnames(names), # ✅ + Atomtypes(atomtypes), # ✅ + # ------------------ + ChainIDs(chainids), # ✅ + Elements(elements), # ✅; same as atomtypes + FormalCharges(formalcharges), # ✅ + Masses(weights), # ✅ + # ------------------ + Occupancies(occupancies), # ✅ + RecordTypes(record_types), # ✅ + Tempfactors(tempfactors), # ✅ # ResidueAttr subclasses ICodes(icodes), # for each atom Resids(resids), # for residue From 91e694282a8867616a617133936710f533028303 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 20 Sep 2024 22:47:06 +0200 Subject: [PATCH 010/133] add function for transformation into *idx --- package/MDAnalysis/topology/MMCIFParser.py | 108 +++++++++++++++------ 1 file changed, 76 insertions(+), 32 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 05ab2c086a9..bfd7b443f0e 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -6,6 +6,7 @@ import gemmi import numpy as np import warnings +import itertools from ..core.topology import Topology from ..core.topologyattrs import ( @@ -22,10 +23,15 @@ RecordTypes, Resids, Resnames, + Resnums, Tempfactors, Segids, ) -from .base import TopologyReaderBase, change_squash +from .base import TopologyReaderBase + + +def _into_idx(arr: list[int]) -> list[int]: + return [idx for idx, (_, group) in enumerate(itertools.groupby(arr)) for _ in group] class MMCIFParser(TopologyReaderBase): @@ -60,12 +66,9 @@ def parse(self, **kwargs): weights, # at.element.weight # ------------------ occupancies, # at.occ - record_types, # res.het_flag TODO: match to ATOM/HETATM + record_types, # res.het_flag tempfactors, # at.b_iso - resids, # res.seqid.num - # ------------------ - resnames, # res.name - icodes, # residue.seqid.icode + residx, # res.index? ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif np.array, list( @@ -85,56 +88,97 @@ def parse(self, **kwargs): at.occ, # occupancies res.het_flag, # record_types at.b_iso, # tempfactors + res.seqid.num, # residx TODO: translate to continious index + ) + for chain in model + for res in chain + for at in res + ] + ) + ), + ) + + ( + icodes, # res.seqid.icode + resids, # res.seqid.num + resnames, # res.name + segidx, # chain.name TODO: translate into continious index + ) = map( + np.array, + list( + zip( + *[ + ( + res.seqid.icode, res.seqid.num, - # ------------------ res.name, - res.seqid.icode, + chain.name, ) for chain in model for res in chain - for at in res ] ) ), ) + segids = [chain.name for chain in model] + + # transform *idx into continious numpy arrays + residx = np.array(_into_idx(residx)) + segidx = np.array(_into_idx(segidx)) + # fill in altlocs altlocs = ["A" if not elem else elem for elem in altlocs] + record_types = [ + "ATOM" if record == "A" else "HETATM" if record == "H" else None + for record in record_types + ] + if any((elem is None for elem in record_types)): + raise ValueError("Found an atom that is neither ATOM or HETATM") attrs = [ # AtomAttr subclasses - AltLocs(altlocs), # ✅ - Atomids(serials), # ✅ - Atomnames(names), # ✅ - Atomtypes(atomtypes), # ✅ - # ------------------ - ChainIDs(chainids), # ✅ - Elements(elements), # ✅; same as atomtypes - FormalCharges(formalcharges), # ✅ - Masses(weights), # ✅ - # ------------------ - Occupancies(occupancies), # ✅ - RecordTypes(record_types), # ✅ - Tempfactors(tempfactors), # ✅ + AltLocs(altlocs), # at.altloc + Atomids(serials), # at.serial + Atomnames(names), # at.name + Atomtypes(atomtypes), # at.name + # --------------------------------------- + ChainIDs(chainids), # chain.name + Elements(elements), # at.element.name + FormalCharges(formalcharges), # at.charge + Masses(weights), # at.element.weight + # --------------------------------------- + Occupancies(occupancies), # at.occ + RecordTypes(record_types), # res.het_flat + Tempfactors(tempfactors), # at.b_iso + # # ResidueAttr subclasses - ICodes(icodes), # for each atom - Resids(resids), # for residue - Resnames(resnames), # for residue + ICodes(icodes), # res.seqid.icode + Resids(resids), # res.seqid.num + Resnames(resnames), # res.name + # # SegmentAttr subclasses - Segids(segids), + Segids(segids), # chain.name ] n_atoms = len(names) n_residues = len(resids) - n_segments = len(set(chainids)) + n_segments = len(segids) - print(resids) - print(change_squash(resids, resids)) - - top = Topology(n_atoms, n_residues, n_segments, attrs=attrs) + print(f"{len(residx)=}") + print(f"{residx=}") + print(f"{len(segidx)=}") + print(f"{segidx=}") print(f"{n_atoms=}") print(f"{n_residues=}") print(f"{n_segments=}") - return top + return Topology( + n_atoms, + n_residues, + n_segments, + attrs=attrs, + atom_resindex=np.arange(n_atoms), + residue_segindex=np.arange(n_residues), + ) From 9a0c08684bd628200a8fbcaa4a990d207502e689 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 20 Sep 2024 23:33:19 +0200 Subject: [PATCH 011/133] oh damn seems to finally be working --- package/MDAnalysis/topology/MMCIFParser.py | 13 ++++++++----- 1 file changed, 8 insertions(+), 5 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index bfd7b443f0e..f1a070f379d 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -24,8 +24,8 @@ Resids, Resnames, Resnums, - Tempfactors, Segids, + Tempfactors, ) from .base import TopologyReaderBase @@ -68,7 +68,7 @@ def parse(self, **kwargs): occupancies, # at.occ record_types, # res.het_flag tempfactors, # at.b_iso - residx, # res.index? + residx, # _into_idx(res.seqid.num) ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif np.array, list( @@ -88,7 +88,7 @@ def parse(self, **kwargs): at.occ, # occupancies res.het_flag, # record_types at.b_iso, # tempfactors - res.seqid.num, # residx TODO: translate to continious index + res.seqid.num, # residx, later translated into continious repr ) for chain in model for res in chain @@ -103,6 +103,7 @@ def parse(self, **kwargs): resids, # res.seqid.num resnames, # res.name segidx, # chain.name TODO: translate into continious index + resnums, ) = map( np.array, list( @@ -113,6 +114,7 @@ def parse(self, **kwargs): res.seqid.num, res.name, chain.name, + res.seqid.num, ) for chain in model for res in chain @@ -150,6 +152,7 @@ def parse(self, **kwargs): # --------------------------------------- Occupancies(occupancies), # at.occ RecordTypes(record_types), # res.het_flat + Resnums(resnums), # res.seqid.num Tempfactors(tempfactors), # at.b_iso # # ResidueAttr subclasses @@ -179,6 +182,6 @@ def parse(self, **kwargs): n_residues, n_segments, attrs=attrs, - atom_resindex=np.arange(n_atoms), - residue_segindex=np.arange(n_residues), + atom_resindex=residx, + residue_segindex=segidx, ) From 9c731df4db56c398fd899bd8390baf4429ea78a2 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 20 Sep 2024 23:36:13 +0200 Subject: [PATCH 012/133] remove TODOs --- package/MDAnalysis/topology/MMCIFParser.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index f1a070f379d..7e88f4ac4b4 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -1,5 +1,5 @@ """ -MMCIF Topology Parser # TODO +MMCIF Topology Parser # =================== """ @@ -102,7 +102,7 @@ def parse(self, **kwargs): icodes, # res.seqid.icode resids, # res.seqid.num resnames, # res.name - segidx, # chain.name TODO: translate into continious index + segidx, # chain.name resnums, ) = map( np.array, From 8b40ec7219514ffc257a8830b16be16db5209902 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Sat, 21 Sep 2024 00:02:42 +0200 Subject: [PATCH 013/133] Remove debug prints --- package/MDAnalysis/coordinates/MMCIF.py | 3 ++- package/MDAnalysis/coordinates/__init__.py | 2 +- package/MDAnalysis/topology/MMCIFParser.py | 11 +---------- 3 files changed, 4 insertions(+), 12 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index c896f98c62a..b6b633f9512 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -34,4 +34,5 @@ def close(self): pass -class MMCIFWriter(base.WriterBase): ... +class MMCIFWriter(base.WriterBase): + pass diff --git a/package/MDAnalysis/coordinates/__init__.py b/package/MDAnalysis/coordinates/__init__.py index b8b4ac41f7f..1d0488d38ff 100644 --- a/package/MDAnalysis/coordinates/__init__.py +++ b/package/MDAnalysis/coordinates/__init__.py @@ -791,4 +791,4 @@ class can choose an appropriate reader automatically. from . import NAMDBIN from . import FHIAIMS from . import TNG -from . import MMCIF \ No newline at end of file +from . import MMCIF diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 7e88f4ac4b4..b9d5fcf694b 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -102,7 +102,7 @@ def parse(self, **kwargs): icodes, # res.seqid.icode resids, # res.seqid.num resnames, # res.name - segidx, # chain.name + segidx, # chain.name resnums, ) = map( np.array, @@ -168,15 +168,6 @@ def parse(self, **kwargs): n_residues = len(resids) n_segments = len(segids) - print(f"{len(residx)=}") - print(f"{residx=}") - print(f"{len(segidx)=}") - print(f"{segidx=}") - - print(f"{n_atoms=}") - print(f"{n_residues=}") - print(f"{n_segments=}") - return Topology( n_atoms, n_residues, From 401a4d360af8b4619636d4fc37197c5d2ff3e023 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Mon, 23 Sep 2024 00:48:07 +0200 Subject: [PATCH 014/133] try to pack things into separate class in utils? --- package/MDAnalysis/topology/tpr/utils.py | 146 +++++++++++++++++++++++ 1 file changed, 146 insertions(+) diff --git a/package/MDAnalysis/topology/tpr/utils.py b/package/MDAnalysis/topology/tpr/utils.py index 4e26dbfa565..0adb8bc200e 100644 --- a/package/MDAnalysis/topology/tpr/utils.py +++ b/package/MDAnalysis/topology/tpr/utils.py @@ -47,31 +47,43 @@ The module also contains the :func:`do_inputrec` to read the TPR header with. """ +from collections.abc import Callable +from typing import Any import numpy as np from mda_xdrlib import xdrlib import struct +from dataclasses import dataclass from . import obj from . import setting from ..base import squash_by from ...core.topology import Topology from ...core.topologyattrs import ( + AltLocs, Atomids, Atomnames, Atomtypes, Masses, Charges, Elements, + Occupancies, + RecordTypes, Resids, Resnames, Moltypes, Molnums, + Resnums, Segids, ChainIDs, Bonds, Angles, Dihedrals, Impropers, + FormalCharges, + AtomAttr, + ResidueAttr, + SegmentAttr, + Tempfactors, ) @@ -886,3 +898,137 @@ def do_blocka(data): ndo_int(data, block_nr + 1) ndo_int(data, block_nra) return block_nr, block_nra + + +# gemmi-related utils: https://gemmi.readthedocs.io/en/latest/ +# TODO: add docs here? + + +@dataclass +class AttrMapping: + level: str # 'atom', 'residue', 'segment' + target: AtomAttr | ResidueAttr | SegmentAttr + func: Callable[[int], Any] + + def __post_init__(self): + mapping = {'atom':0, 'residue':1, 'segment':2} + self.idx = mapping.get(self.level, None) + if self.idx is None: + raise ValueError(f"'level' can only be one of {list(mapping.keys())}, got {self.level=}") + + def apply(self): pass + +class GemmiToAttrs: + AltLocs = AttrMapping('atom', AltLocs, ) + Atomids = ... + Atomnames = ... + Atomtypes = ... + ChainIDs = ... + Elements = ... + FormalCharges = ... + Occupancies = ... + Resnums = ... + Tempfactors = ... + Icodes = ... + Resids = ... + Resnames = ... + Segids = ... + +def gemmiModel2AtomAttrs(model: 'gemmi.Structure') -> list[AtomAttr]: # type: ignore # noqa: F821 + ( + altlocs, # at.altloc + serials, # at.serial + names, # at.name + atomtypes, # at.name + # ------------------ + chainids, # chain.name + elements, # at.element.name + formalcharges, # at.charge + weights, # at.element.weight + # ------------------ + occupancies, # at.occ + record_types, # res.het_flag + tempfactors, # at.b_iso + residx, # _into_idx(res.seqid.num) + ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif + np.array, + list( + zip( + *[ + ( + at.altloc, # altlocs + at.serial, # serials + at.name, # names + at.name, # atomtypes + # ------------------ + chain.name, # chainids + at.element.name, # elements + at.charge, # formalcharges + at.element.weight, # weights + # ------------------ + at.occ, # occupancies + res.het_flag, # record_types + at.b_iso, # tempfactors + res.seqid.num, # residx, later translated into continious repr + ) + for chain in model + for res in chain + for at in res + ] + ) + ), + ) + + altlocs = ["A" if not elem else elem for elem in altlocs] + record_types = [ + "ATOM" if record == "A" else "HETATM" if record == "H" else None + for record in record_types + ] + if any((elem is None for elem in record_types)): + raise ValueError("Found an atom that is neither ATOM or HETATM") + + attrs = [ + # AtomAttr subclasses + AltLocs(altlocs), # at.altloc + Atomids(serials), # at.serial + Atomnames(names), # at.name + Atomtypes(atomtypes), # at.name + # --------------------------------------- + ChainIDs(chainids), # chain.name + Elements(elements), # at.element.name + FormalCharges(formalcharges), # at.charge + Masses(weights), # at.element.weight + # --------------------------------------- + Occupancies(occupancies), # at.occ + RecordTypes(record_types), # res.het_flat + Tempfactors(tempfactors), # at.b_iso + # + ] + + return attrs + +def gemmiModel2ResidueAttrs(model: 'gemmi.Structure') -> list[ResidueAttr]: # type: ignore # noqa: F821 + ( + icodes, # res.seqid.icode + resids, # res.seqid.num + resnames, # res.name + segidx, # chain.name + resnums, + ) = map( + np.array, + list( + zip( + *[ + ( + res.seqid.icode, + res.seqid.num, + res.name, + chain.name, + res.seqid.num, + ) + for chain in model + for res in chain + ] + ) + ), + ) From 9c336bd6d1f13521e1ce0505b4acd452827ecf55 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Mon, 23 Sep 2024 00:59:49 +0200 Subject: [PATCH 015/133] remove unnecessary functions --- package/MDAnalysis/topology/tpr/utils.py | 134 ----------------------- 1 file changed, 134 deletions(-) diff --git a/package/MDAnalysis/topology/tpr/utils.py b/package/MDAnalysis/topology/tpr/utils.py index 0adb8bc200e..efcac4111e4 100644 --- a/package/MDAnalysis/topology/tpr/utils.py +++ b/package/MDAnalysis/topology/tpr/utils.py @@ -898,137 +898,3 @@ def do_blocka(data): ndo_int(data, block_nr + 1) ndo_int(data, block_nra) return block_nr, block_nra - - -# gemmi-related utils: https://gemmi.readthedocs.io/en/latest/ -# TODO: add docs here? - - -@dataclass -class AttrMapping: - level: str # 'atom', 'residue', 'segment' - target: AtomAttr | ResidueAttr | SegmentAttr - func: Callable[[int], Any] - - def __post_init__(self): - mapping = {'atom':0, 'residue':1, 'segment':2} - self.idx = mapping.get(self.level, None) - if self.idx is None: - raise ValueError(f"'level' can only be one of {list(mapping.keys())}, got {self.level=}") - - def apply(self): pass - -class GemmiToAttrs: - AltLocs = AttrMapping('atom', AltLocs, ) - Atomids = ... - Atomnames = ... - Atomtypes = ... - ChainIDs = ... - Elements = ... - FormalCharges = ... - Occupancies = ... - Resnums = ... - Tempfactors = ... - Icodes = ... - Resids = ... - Resnames = ... - Segids = ... - -def gemmiModel2AtomAttrs(model: 'gemmi.Structure') -> list[AtomAttr]: # type: ignore # noqa: F821 - ( - altlocs, # at.altloc - serials, # at.serial - names, # at.name - atomtypes, # at.name - # ------------------ - chainids, # chain.name - elements, # at.element.name - formalcharges, # at.charge - weights, # at.element.weight - # ------------------ - occupancies, # at.occ - record_types, # res.het_flag - tempfactors, # at.b_iso - residx, # _into_idx(res.seqid.num) - ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif - np.array, - list( - zip( - *[ - ( - at.altloc, # altlocs - at.serial, # serials - at.name, # names - at.name, # atomtypes - # ------------------ - chain.name, # chainids - at.element.name, # elements - at.charge, # formalcharges - at.element.weight, # weights - # ------------------ - at.occ, # occupancies - res.het_flag, # record_types - at.b_iso, # tempfactors - res.seqid.num, # residx, later translated into continious repr - ) - for chain in model - for res in chain - for at in res - ] - ) - ), - ) - - altlocs = ["A" if not elem else elem for elem in altlocs] - record_types = [ - "ATOM" if record == "A" else "HETATM" if record == "H" else None - for record in record_types - ] - if any((elem is None for elem in record_types)): - raise ValueError("Found an atom that is neither ATOM or HETATM") - - attrs = [ - # AtomAttr subclasses - AltLocs(altlocs), # at.altloc - Atomids(serials), # at.serial - Atomnames(names), # at.name - Atomtypes(atomtypes), # at.name - # --------------------------------------- - ChainIDs(chainids), # chain.name - Elements(elements), # at.element.name - FormalCharges(formalcharges), # at.charge - Masses(weights), # at.element.weight - # --------------------------------------- - Occupancies(occupancies), # at.occ - RecordTypes(record_types), # res.het_flat - Tempfactors(tempfactors), # at.b_iso - # - ] - - return attrs - -def gemmiModel2ResidueAttrs(model: 'gemmi.Structure') -> list[ResidueAttr]: # type: ignore # noqa: F821 - ( - icodes, # res.seqid.icode - resids, # res.seqid.num - resnames, # res.name - segidx, # chain.name - resnums, - ) = map( - np.array, - list( - zip( - *[ - ( - res.seqid.icode, - res.seqid.num, - res.name, - chain.name, - res.seqid.num, - ) - for chain in model - for res in chain - ] - ) - ), - ) From def88e45875db73eed375b3a8bc5c1fbf0d0cf0f Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Tue, 24 Sep 2024 01:00:49 +0200 Subject: [PATCH 016/133] copy all loops into separate functions --- package/MDAnalysis/topology/MMCIFParser.py | 129 +++++++++++++++++++++ 1 file changed, 129 insertions(+) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index b9d5fcf694b..29243b7e1ac 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -3,6 +3,13 @@ =================== """ +try: + import gemmi +except ImportError: + HAS_GEMMI = False +else: + HAS_GEMMI = True + import gemmi import numpy as np import warnings @@ -26,6 +33,9 @@ Resnums, Segids, Tempfactors, + AtomAttr, + ResidueAttr, + SegmentAttr, ) from .base import TopologyReaderBase @@ -34,6 +44,125 @@ def _into_idx(arr: list[int]) -> list[int]: return [idx for idx, (_, group) in enumerate(itertools.groupby(arr)) for _ in group] +def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: + ( + altlocs, # at.altloc + serials, # at.serial + names, # at.name + atomtypes, # at.name + # ------------------ + chainids, # chain.name + elements, # at.element.name + formalcharges, # at.charge + weights, # at.element.weight + # ------------------ + occupancies, # at.occ + record_types, # res.het_flag + tempfactors, # at.b_iso + residx, # _into_idx(res.seqid.num) + ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif + np.array, + list( + zip( + *[ + ( + at.altloc, # altlocs + at.serial, # serials + at.name, # names + at.name, # atomtypes + # ------------------ + chain.name, # chainids + at.element.name, # elements + at.charge, # formalcharges + at.element.weight, # weights + # ------------------ + at.occ, # occupancies + res.het_flag, # record_types + at.b_iso, # tempfactors + res.seqid.num, # residx, later translated into continious repr + ) + for chain in model + for res in chain + for at in res + ] + ) + ), + ) + + # transform *idx into continious numpy arrays + residx = np.array(_into_idx(residx)) + + # fill in altlocs + altlocs = ["A" if not elem else elem for elem in altlocs] + record_types = [ + "ATOM" if record == "A" else "HETATM" if record == "H" else None + for record in record_types + ] + if any((elem is None for elem in record_types)): + raise ValueError("Found an atom that is neither ATOM or HETATM") + + attrs = [ + AltLocs(altlocs), # at.altloc + Atomids(serials), # at.serial + Atomnames(names), # at.name + Atomtypes(atomtypes), # at.name + # --------------------------------------- + ChainIDs(chainids), # chain.name + Elements(elements), # at.element.name + FormalCharges(formalcharges), # at.charge + Masses(weights), # at.element.weight + # --------------------------------------- + Occupancies(occupancies), # at.occ + RecordTypes(record_types), # res.het_flat + Tempfactors(tempfactors), # at.b_iso + ] + + n_atoms = len(names) # TODO: replace in class itself with len(attrs[0]) + return attrs, residx + + +def get_Residueattrs(model: gemmi.Model) -> tuple[list[ResidueAttr], np.ndarray]: + ( + icodes, # res.seqid.icode + resids, # res.seqid.num + resnames, # res.name + segidx, # chain.name + resnums, + ) = map( + np.array, + list( + zip( + *[ + ( + res.seqid.icode, + res.seqid.num, + res.name, + chain.name, + res.seqid.num, + ) + for chain in model + for res in chain + ] + ) + ), + ) + segidx = np.array(_into_idx(segidx)) + attrs = [ + Resnums(resnums), # res.seqid.num + ICodes(icodes), # res.seqid.icode + Resids(resids), # res.seqid.num + Resnames(resnames), # res.name + ] + n_residues = len(resids) # TODO: replace in class itself with len(attrs[0]) + return attrs, segidx + + +def get_Segmentattrs(model: gemmi.Model) -> list[SegmentAttr]: + segids = [chain.name for chain in model] + n_segments = len(segids) # TODO: replace in class itself with len(attrs[0]) + return [Segids(segids)] + + class MMCIFParser(TopologyReaderBase): format = "MMCIF" From cabfd370a64725b9845da08fae944f57b43a53c1 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Tue, 24 Sep 2024 01:04:12 +0200 Subject: [PATCH 017/133] Move loops over structures into functions --- package/MDAnalysis/topology/MMCIFParser.py | 122 ++------------------- 1 file changed, 7 insertions(+), 115 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 29243b7e1ac..08d39e9b21f 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -117,7 +117,6 @@ def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: Tempfactors(tempfactors), # at.b_iso ] - n_atoms = len(names) # TODO: replace in class itself with len(attrs[0]) return attrs, residx @@ -153,13 +152,11 @@ def get_Residueattrs(model: gemmi.Model) -> tuple[list[ResidueAttr], np.ndarray] Resids(resids), # res.seqid.num Resnames(resnames), # res.name ] - n_residues = len(resids) # TODO: replace in class itself with len(attrs[0]) return attrs, segidx def get_Segmentattrs(model: gemmi.Model) -> list[SegmentAttr]: segids = [chain.name for chain in model] - n_segments = len(segids) # TODO: replace in class itself with len(attrs[0]) return [Segids(segids)] @@ -182,120 +179,15 @@ def parse(self, **kwargs): ) model = structure[0] - # atom properties - ( - altlocs, # at.altloc - serials, # at.serial - names, # at.name - atomtypes, # at.name - # ------------------ - chainids, # chain.name - elements, # at.element.name - formalcharges, # at.charge - weights, # at.element.weight - # ------------------ - occupancies, # at.occ - record_types, # res.het_flag - tempfactors, # at.b_iso - residx, # _into_idx(res.seqid.num) - ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif - np.array, - list( - zip( - *[ - ( - at.altloc, # altlocs - at.serial, # serials - at.name, # names - at.name, # atomtypes - # ------------------ - chain.name, # chainids - at.element.name, # elements - at.charge, # formalcharges - at.element.weight, # weights - # ------------------ - at.occ, # occupancies - res.het_flag, # record_types - at.b_iso, # tempfactors - res.seqid.num, # residx, later translated into continious repr - ) - for chain in model - for res in chain - for at in res - ] - ) - ), - ) - - ( - icodes, # res.seqid.icode - resids, # res.seqid.num - resnames, # res.name - segidx, # chain.name - resnums, - ) = map( - np.array, - list( - zip( - *[ - ( - res.seqid.icode, - res.seqid.num, - res.name, - chain.name, - res.seqid.num, - ) - for chain in model - for res in chain - ] - ) - ), - ) - - segids = [chain.name for chain in model] - - # transform *idx into continious numpy arrays - residx = np.array(_into_idx(residx)) - segidx = np.array(_into_idx(segidx)) - - # fill in altlocs - altlocs = ["A" if not elem else elem for elem in altlocs] - record_types = [ - "ATOM" if record == "A" else "HETATM" if record == "H" else None - for record in record_types - ] - if any((elem is None for elem in record_types)): - raise ValueError("Found an atom that is neither ATOM or HETATM") + atomAttrs, residx = get_Atomattrs(model) + residAttrs, segidx = get_Residueattrs(model) + segmentAttrs = get_Segmentattrs(model) - attrs = [ - # AtomAttr subclasses - AltLocs(altlocs), # at.altloc - Atomids(serials), # at.serial - Atomnames(names), # at.name - Atomtypes(atomtypes), # at.name - # --------------------------------------- - ChainIDs(chainids), # chain.name - Elements(elements), # at.element.name - FormalCharges(formalcharges), # at.charge - Masses(weights), # at.element.weight - # --------------------------------------- - Occupancies(occupancies), # at.occ - RecordTypes(record_types), # res.het_flat - Resnums(resnums), # res.seqid.num - Tempfactors(tempfactors), # at.b_iso - # - # ResidueAttr subclasses - ICodes(icodes), # res.seqid.icode - Resids(resids), # res.seqid.num - Resnames(resnames), # res.name - # - # SegmentAttr subclasses - Segids(segids), # chain.name - ] + attrs = atomAttrs + residAttrs + segmentAttrs - n_atoms = len(names) - n_residues = len(resids) - n_segments = len(segids) + n_atoms = len(atomAttrs[0]) + n_residues = len(residAttrs[0]) + n_segments = len(segmentAttrs[0]) return Topology( n_atoms, From 4c9d930a949427c9ce637954f8a86b8122f0ad85 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Tue, 24 Sep 2024 01:14:42 +0200 Subject: [PATCH 018/133] Move coordinate fetching into function for the coordinate reader as well --- package/MDAnalysis/coordinates/MMCIF.py | 34 +++++++++++++++---------- 1 file changed, 20 insertions(+), 14 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index b6b633f9512..244a7719512 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -1,11 +1,24 @@ import numpy as np -import gemmi import logging from . import base +import warnings + +try: + import gemmi + + HAS_GEMMI = True +except ImportError: + HAS_GEMMI = False logger = logging.getLogger("MDAnalysis.coordinates.MMCIF") +def get_Coordinates(model: gemmi.Model) -> np.ndarray: + return np.array( + [[*at.pos.tolist()] for chain in model for res in chain for at in res] + ) + + class MMCIFReader(base.SingleFrameReaderBase): """Reads from an MMCIF file""" @@ -14,15 +27,12 @@ class MMCIFReader(base.SingleFrameReaderBase): def _read_first_frame(self): structure = gemmi.read_structure(self.filename) - coords = np.array( - [ - [*at.pos.tolist()] - for model in structure - for chain in model - for res in chain - for at in res - ] - ) + if len(structure) > 1: + warnings.warn( + f"File {self.filename} has {len(structure)} models, but only the first one will be read" + ) + model = structure[0] + coords = get_Coordinates(model) self.n_atoms = len(coords) self.ts = self._Timestep.from_coordinates(coords, **self._ts_kwargs) self.ts.frame = 0 @@ -32,7 +42,3 @@ def Writer(self, filename, n_atoms=None, **kwargs): def close(self): pass - - -class MMCIFWriter(base.WriterBase): - pass From 184491a0635af5353463875859922e8bc92f3b06 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Tue, 24 Sep 2024 01:20:42 +0200 Subject: [PATCH 019/133] Fix imports --- package/MDAnalysis/coordinates/MMCIF.py | 6 ++++-- package/MDAnalysis/topology/MMCIFParser.py | 12 ++++++------ 2 files changed, 10 insertions(+), 8 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 244a7719512..2cfefa354ff 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -1,8 +1,10 @@ -import numpy as np import logging -from . import base import warnings +import numpy as np + +from . import base + try: import gemmi diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 08d39e9b21f..f7b8d4d5724 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -10,14 +10,15 @@ else: HAS_GEMMI = True -import gemmi -import numpy as np -import warnings import itertools +import warnings + +import numpy as np from ..core.topology import Topology from ..core.topologyattrs import ( AltLocs, + AtomAttr, Atomids, Atomnames, Atomtypes, @@ -29,13 +30,12 @@ Occupancies, RecordTypes, Resids, + ResidueAttr, Resnames, Resnums, Segids, - Tempfactors, - AtomAttr, - ResidueAttr, SegmentAttr, + Tempfactors, ) from .base import TopologyReaderBase From 3de856511e46afffd3f25f3d97f01c6b65be4232 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Mon, 30 Sep 2024 14:45:00 +0200 Subject: [PATCH 020/133] Start adding documentation --- package/MDAnalysis/coordinates/MMCIF.py | 24 ++++-- package/MDAnalysis/topology/MMCIFParser.py | 99 +++++++++++++++------- 2 files changed, 89 insertions(+), 34 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 2cfefa354ff..6b9ae180ae2 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -15,7 +15,18 @@ logger = logging.getLogger("MDAnalysis.coordinates.MMCIF") -def get_Coordinates(model: gemmi.Model) -> np.ndarray: +def get_coordinates(model: gemmi.Model) -> np.ndarray: + """Get coordinates of all atoms in the `gemmi.Model` object. + + Parameters + ---------- + model + input `gemmi.Model`, e.g. `gemmi.read_structure('file.cif')[0]` + + Returns + ------- + np.ndarray, shape [n, 3], where `n` is the number of atoms in the structure. + """ return np.array( [[*at.pos.tolist()] for chain in model for res in chain for at in res] ) @@ -33,14 +44,17 @@ def _read_first_frame(self): warnings.warn( f"File {self.filename} has {len(structure)} models, but only the first one will be read" ) + if len(structure) > 1: + warnings.warn( + "MMCIF model {self.filename} contains {len(model)=} different models, " + "but only the first one will be used to assign the topology" + ) # TODO: if the structures represent timestamps, can parse them with :func:`get_coordinates`. + model = structure[0] - coords = get_Coordinates(model) + coords = get_coordinates(model) self.n_atoms = len(coords) self.ts = self._Timestep.from_coordinates(coords, **self._ts_kwargs) self.ts.frame = 0 - def Writer(self, filename, n_atoms=None, **kwargs): - raise NotImplementedError - def close(self): pass diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index f7b8d4d5724..debd75c8676 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -40,11 +40,46 @@ from .base import TopologyReaderBase -def _into_idx(arr: list[int]) -> list[int]: +def _into_idx(arr: list) -> list[int]: + """Replace consecutive identical elements of an array with their indices. + + Example + ------- + .. code-block:: python + + arr: list[int] = [1, 1, 5, 5, 7, 3, 3] + assert _into_idx(arr) == [0, 0, 1, 1, 2, 3, 3] + + Parameters + ---------- + arr + input array of elements that can be compared with `__eq__` + + Returns + ------- + list[int] -- array where these elements are replaced with their unique indices, in order of appearance. + """ return [idx for idx, (_, group) in enumerate(itertools.groupby(arr)) for _ in group] def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: + """Extract all attributes that are subclasses of :class:`..core.topologyattrs.AtomAttr` from a ``gemmi.Model`` object, + and a `segidx` index. + + Parameters + ---------- + model + input `gemmi.Model`, e.g. `gemmi.read_structure('file.cif')[0]` + + Returns + ------- + tuple[list[AtomAttr], np.ndarray] -- first element is list of all extracted attributes, second element is `segidx` + + Raises + ------ + ValueError + if any of the records is neither 'ATOM' nor 'HETATM' + """ ( altlocs, # at.altloc serials, # at.serial @@ -60,30 +95,34 @@ def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: record_types, # res.het_flag tempfactors, # at.b_iso residx, # _into_idx(res.seqid.num) - ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif + ) = map( # this construct takes np.ndarray of all lists of attributes, extracted from the `gemmi.Model` np.array, list( zip( *[ ( - at.altloc, # altlocs - at.serial, # serials - at.name, # names - at.name, # atomtypes + # tuple of attributes + # extracted from residue, atom or chain in the structure + # ------------------ + atom.altloc, # altlocs + atom.serial, # serials + atom.name, # names + atom.name, # atomtypes # ------------------ chain.name, # chainids - at.element.name, # elements - at.charge, # formalcharges - at.element.weight, # weights + atom.element.name, # elements + atom.charge, # formalcharges + atom.element.weight, # weights # ------------------ - at.occ, # occupancies - res.het_flag, # record_types - at.b_iso, # tempfactors - res.seqid.num, # residx, later translated into continious repr + atom.occ, # occupancies + residue.het_flag, # record_types + atom.b_iso, # tempfactors + residue.seqid.num, # residx, later translated into continious repr ) + # the main loop over the `gemmi.Model` object for chain in model - for res in chain - for at in res + for residue in chain + for atom in residue ] ) ), @@ -92,8 +131,10 @@ def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: # transform *idx into continious numpy arrays residx = np.array(_into_idx(residx)) - # fill in altlocs + # fill in altlocs, since gemmi has '' as default altlocs = ["A" if not elem else elem for elem in altlocs] + + # convert default gemmi record types to default MDAnalysis record types record_types = [ "ATOM" if record == "A" else "HETATM" if record == "H" else None for record in record_types @@ -102,19 +143,19 @@ def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: raise ValueError("Found an atom that is neither ATOM or HETATM") attrs = [ - AltLocs(altlocs), # at.altloc - Atomids(serials), # at.serial - Atomnames(names), # at.name - Atomtypes(atomtypes), # at.name - # --------------------------------------- - ChainIDs(chainids), # chain.name - Elements(elements), # at.element.name - FormalCharges(formalcharges), # at.charge - Masses(weights), # at.element.weight - # --------------------------------------- - Occupancies(occupancies), # at.occ - RecordTypes(record_types), # res.het_flat - Tempfactors(tempfactors), # at.b_iso + AltLocs(altlocs), + Atomids(serials), + Atomnames(names), + Atomtypes(atomtypes), + # ---------------------------- + ChainIDs(chainids), + Elements(elements), + FormalCharges(formalcharges), + Masses(weights), + # ---------------------------- + Occupancies(occupancies), + RecordTypes(record_types), + Tempfactors(tempfactors), ] return attrs, residx From ca6ebbba5367c060b00da9ade28d1f8c45cabff1 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Tue, 1 Oct 2024 23:01:44 +0200 Subject: [PATCH 021/133] Reference MMCIFParser in PDBParser --- package/MDAnalysis/topology/PDBParser.py | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/package/MDAnalysis/topology/PDBParser.py b/package/MDAnalysis/topology/PDBParser.py index e1e08dd04c6..56c29a1dd16 100644 --- a/package/MDAnalysis/topology/PDBParser.py +++ b/package/MDAnalysis/topology/PDBParser.py @@ -43,9 +43,17 @@ if unknown. Partial charges are not set. Elements are parsed if they are valid. If partially missing or incorrect, empty records are assigned. +.. Note:: + + You can also use :mod:`~MDAnalysis.topology.MMCIFParser` to parse PDB files + that you're having troubles parsing with standard PDB parser. ``MMCIFParser`` + uses ``gemmi`` library (https://github.com/project-gemmi/gemmi) that is developed + together with RCSB, and might work better for your particular situation. + See Also -------- * :mod:`MDAnalysis.topology.ExtendedPDBParser` +* :mod:`MDAnalysis.topology.MMCIFParser` * :class:`MDAnalysis.coordinates.PDB.PDBReader` * :class:`MDAnalysis.core.universe.Universe` From 45077ade2b2ef35ea1d21af971c3d336a1fc5b43 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Tue, 1 Oct 2024 23:15:45 +0200 Subject: [PATCH 022/133] Add documentation for trajectory and topology parsers --- package/MDAnalysis/coordinates/MMCIF.py | 27 ++++++- package/MDAnalysis/topology/MMCIFParser.py | 86 ++++++++++++++++++---- 2 files changed, 98 insertions(+), 15 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 6b9ae180ae2..f127c92b0d5 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -33,13 +33,29 @@ def get_coordinates(model: gemmi.Model) -> np.ndarray: class MMCIFReader(base.SingleFrameReaderBase): - """Reads from an MMCIF file""" + """Reads from an MMCIF file using ``gemmi`` library as a backend. + + Notes + ----- + + If the structure represents an ensemble, only the first structure in the ensemble + is read here (and a warning is thrown). Also, if the structure has a placeholder "CRYST1" + record (1, 1, 1, 90, 90, 90), it's set to ``None`` instead. + + .. versionadded:: 2.8.0 + """ format = "MMCIF" units = {"time": None, "length": "Angstrom"} def _read_first_frame(self): structure = gemmi.read_structure(self.filename) + cell_dims = np.array( + [ + getattr(structure.cell, name) + for name in ("a", "b", "c", "alpha", "beta", "gamma") + ] + ) if len(structure) > 1: warnings.warn( f"File {self.filename} has {len(structure)} models, but only the first one will be read" @@ -54,6 +70,15 @@ def _read_first_frame(self): coords = get_coordinates(model) self.n_atoms = len(coords) self.ts = self._Timestep.from_coordinates(coords, **self._ts_kwargs) + if np.allclose(cell_dims, np.array([1.0, 1.0, 1.0, 90.0, 90.0, 90.0])): + warnings.warn( + "1 A^3 CRYST1 record," + " this is usually a placeholder." + " Unit cell dimensions will be set to None." + ) + self.ts.dimensions = None + else: + self.ts.dimensions = cell_dims self.ts.frame = 0 def close(self): diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index debd75c8676..757e314ce19 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -58,13 +58,15 @@ def _into_idx(arr: list) -> list[int]: Returns ------- list[int] -- array where these elements are replaced with their unique indices, in order of appearance. + + .. versionadded:: 2.8.0 """ return [idx for idx, (_, group) in enumerate(itertools.groupby(arr)) for _ in group] def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.AtomAttr` from a ``gemmi.Model`` object, - and a `segidx` index. + and a `residx` index with indices of all atoms in residues. Parameters ---------- @@ -79,6 +81,8 @@ def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: ------ ValueError if any of the records is neither 'ATOM' nor 'HETATM' + + .. versionadded:: 2.8.0 """ ( altlocs, # at.altloc @@ -162,10 +166,24 @@ def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: def get_Residueattrs(model: gemmi.Model) -> tuple[list[ResidueAttr], np.ndarray]: + """Extract all attributes that are subclasses of :class:`..core.topologyattrs.ResidueAttr` from a ``gemmi.Model`` object, + and a `segidx` index witn indices of all residues in segments. + + Parameters + ---------- + model + input `gemmi.Model`, e.g. `gemmi.read_structure('file.cif')[0]` + + Returns + ------- + tuple[list[ResidueAttr], np.ndarray] -- first element is list of all extracted attributes, second element is `segidx` + + .. versionadded:: 2.8.0 + """ ( - icodes, # res.seqid.icode - resids, # res.seqid.num - resnames, # res.name + icodes, # residue.seqid.icode + resids, # residue.seqid.num + resnames, # residue.name segidx, # chain.name resnums, ) = map( @@ -174,34 +192,73 @@ def get_Residueattrs(model: gemmi.Model) -> tuple[list[ResidueAttr], np.ndarray] zip( *[ ( - res.seqid.icode, - res.seqid.num, - res.name, + residue.seqid.icode, + residue.seqid.num, + residue.name, chain.name, - res.seqid.num, + residue.seqid.num, ) for chain in model - for res in chain + for residue in chain ] ) ), ) segidx = np.array(_into_idx(segidx)) attrs = [ - Resnums(resnums), # res.seqid.num - ICodes(icodes), # res.seqid.icode - Resids(resids), # res.seqid.num - Resnames(resnames), # res.name + Resnums(resnums), + ICodes(icodes), + Resids(resids), + Resnames(resnames), ] return attrs, segidx -def get_Segmentattrs(model: gemmi.Model) -> list[SegmentAttr]: +def get_Segmentattrs(model: gemmi.Model) -> SegmentAttr: + """Extract all attributes that are subclasses of :class:`..core.topologyattrs.SegmentAttr` from a ``gemmi.Model`` object. + + Parameters + ---------- + model + input `gemmi.Model`, e.g. `gemmi.read_structure('file.cif')[0]` + + Returns + ------- + list[SegmentAttr] -- list of all extracted attributes + + .. versionadded:: 2.8.0 + """ segids = [chain.name for chain in model] return [Segids(segids)] class MMCIFParser(TopologyReaderBase): + """Parser that obtains a list of atoms from a standard MMCIF/PDBx file using ``gemmi`` library (https://github.com/project-gemmi/gemmi). + + Creates the following Attributes (if present): + - :class:`..core.topologyattrs.AtomAttr` subclasses: + - :class:`..core.topologyattrs.AltLocs` + - :class:`..core.topologyattrs.Atomids` + - :class:`..core.topologyattrs.Atomnames` + - :class:`..core.topologyattrs.Atomtypes` + - :class:`..core.topologyattrs.ChainIDs` + - :class:`..core.topologyattrs.Elements` + - :class:`..core.topologyattrs.FormalCharges` + - :class:`..core.topologyattrs.Masses` + - :class:`..core.topologyattrs.Occupancies` + - :class:`..core.topologyattrs.RecordTypes` + - :class:`..core.topologyattrs.Tempfactors` + - :class:`..core.topologyattrs.ResidueAttr` subclasses: + - :class:`..core.topologyattrs.Resnums` + - :class:`..core.topologyattrs.ICodes` + - :class:`..core.topologyattrs.Resids` + - :class:`..core.topologyattrs.Resnames` + - :class:`..core.topologyattrs.SegmentAttr` subclasses: + - :class:`..core.topologyattrs.Segids` + + .. versionadded:: 2.8.0 + """ + format = "MMCIF" def parse(self, **kwargs): @@ -226,6 +283,7 @@ def parse(self, **kwargs): attrs = atomAttrs + residAttrs + segmentAttrs + # due to the list(map(...)) construction, all elements in array have equal lengths n_atoms = len(atomAttrs[0]) n_residues = len(residAttrs[0]) n_segments = len(segmentAttrs[0]) From 9a1a59ac1e0ada37803c470baa7e5a6940c6f7b9 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 2 Oct 2024 19:31:12 +0200 Subject: [PATCH 023/133] Add mmcif tests --- .../MDAnalysisTests/coordinates/test_mmcif.py | 44 + .../MDAnalysisTests/data/mmcif/1YJP.cif.gz | Bin 0 -> 8187 bytes .../MDAnalysisTests/data/mmcif/7ETN.cif.gz | Bin 0 -> 13252 bytes testsuite/MDAnalysisTests/datafiles.py | 883 ++++++++++-------- .../MDAnalysisTests/topology/test_mmcif.py | 48 + 5 files changed, 609 insertions(+), 366 deletions(-) create mode 100644 testsuite/MDAnalysisTests/coordinates/test_mmcif.py create mode 100644 testsuite/MDAnalysisTests/data/mmcif/1YJP.cif.gz create mode 100644 testsuite/MDAnalysisTests/data/mmcif/7ETN.cif.gz create mode 100644 testsuite/MDAnalysisTests/topology/test_mmcif.py diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py new file mode 100644 index 00000000000..ec25cd54de5 --- /dev/null +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -0,0 +1,44 @@ +import glob +import os +from io import StringIO + +import MDAnalysis as mda +import numpy as np +import pytest +from numpy.testing import ( + assert_allclose, + assert_almost_equal, + assert_array_almost_equal, + assert_equal, +) + +from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER + +# FIXME: rewrite tests to read trajectories only once + + +@pytest.mark.parametrize("mmcif_filename", glob.glob(f"{MMCIF_FOLDER}/*.cif*")) +def test_works_with_explicit_format(mmcif_filename): + u = mda.Universe(mmcif_filename, format="MMCIF") + assert u.trajectory.n_atoms > 0 + + +@pytest.mark.parametrize("mmcif_filename", glob.glob(f"{MMCIF_FOLDER}/*.cif*")) +def test_works_without_explicit_format(mmcif_filename): + u = mda.Universe(mmcif_filename) + assert u.trajectory.n_atoms > 0 + + +@pytest.mark.parametrize( + "mmcif_filename,natoms_protein,natoms_total", + [ + (f"{MMCIF_FOLDER}/1YJP.cif", 59, 66), + (f"{MMCIF_FOLDER}/1YJP.cif.gz", 59, 66), + (f"{MMCIF_FOLDER}/7ETN.cif", 70, 70), + (f"{MMCIF_FOLDER}/7ETN.cif.gz", 70, 70), + ], +) +def test_n_atoms(mmcif_filename, natoms_protein, natoms_total): + u = mda.Universe(mmcif_filename) + assert len(u.atoms) == natoms_total + assert 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zzUy`T_TbIyvXs@xSvr|m%KhkF>~HEd2yU%Ux=$^;E{m2fZCcsI3~Tz$=o$0+kN5V7 za-oELvhejU;k-G(TH6I=neO(CyE%WPXnjO(W6X#ghe({(s?Oh(f9UCEC{~_j^sCm7 z{@nE&5}U1~6y+n-9HsLEZ@S_0d#3BhqWBkY6mLc+Q?E1sR`H4^^VXEIe`4DLQFB&b zKzcqzE#bSH%zpHv^(j?`xpgBu@@IxCy(jBF-WYMJ{s?!er3WQ9^4yh$W0otujvII0 zu6f^=DD~^tw)pC)W$CQ=UxCksTVv(?-XkrKj3@R&$e_c=t&rvZ%X5wItc>;?6@03P zv@p50ALM`zsJIa(h(hZC literal 0 HcmV?d00001 diff --git a/testsuite/MDAnalysisTests/datafiles.py b/testsuite/MDAnalysisTests/datafiles.py index ef0bea4036a..baa835ecba8 100644 --- a/testsuite/MDAnalysisTests/datafiles.py +++ b/testsuite/MDAnalysisTests/datafiles.py @@ -37,14 +37,21 @@ """ __all__ = [ - "PSF", "DCD", "CRD", # CHARMM (AdK example, DIMS trajectory from JMB 2009 paper) + "PSF", + "DCD", + "CRD", # CHARMM (AdK example, DIMS trajectory from JMB 2009 paper) "DCD2", # CHARMM (AdK example, DIMS trajectory from PLOS Comput Biol paper) - "PSF_notop", "PSF_BAD", # Same as PSF but no bonds etc, malformed version of previous + "PSF_notop", + "PSF_BAD", # Same as PSF but no bonds etc, malformed version of previous "DCD_empty", - "PSF_TRICLINIC", "DCD_TRICLINIC", # CHARMM c36 new unitcell, NPT 125 TIP3P (box vectors, see Issue 187 for details) - "PSF_NAMD", "PDB_NAMD", # NAMD - "PSF_NAMD_TRICLINIC", "DCD_NAMD_TRICLINIC", # NAMD, triclinic unitcell (Issue 187) - "PSF_NAMD_GBIS", "DCD_NAMD_GBIS", # NAMD, implicit solvent, 100 steps, #1819 + "PSF_TRICLINIC", + "DCD_TRICLINIC", # CHARMM c36 new unitcell, NPT 125 TIP3P (box vectors, see Issue 187 for details) + "PSF_NAMD", + "PDB_NAMD", # NAMD + "PSF_NAMD_TRICLINIC", + "DCD_NAMD_TRICLINIC", # NAMD, triclinic unitcell (Issue 187) + "PSF_NAMD_GBIS", + "DCD_NAMD_GBIS", # NAMD, implicit solvent, 100 steps, #1819 "PSF_nosegid", # psf without a segid, Issue 121 "PSF_cmap", # ala3 PSF from ParmEd test files with cmap "PSF_inscode", # PSF file with insertion codes @@ -58,61 +65,127 @@ "PDB_icodes", # stripped down version of 1osm, has icodes! "PDB_varying", # varying occupancies and tempfactors "XPDB_small", - "PDB_full", # PDB 4E43 (full HEADER, TITLE, COMPND, REMARK, altloc) + "PDB_full", # PDB 4E43 (full HEADER, TITLE, COMPND, REMARK, altloc) "ALIGN", # Various way to align atom names in PDB files - "RNA_PSF", "RNA_PDB", # nucleic acid (PDB 1K5I in CHARMM36m) + "RNA_PSF", + "RNA_PDB", # nucleic acid (PDB 1K5I in CHARMM36m) "INC_PDB", # incomplete PDB file (Issue #396) # for testing cryst before/after model headers - "PDB_cm", "PDB_cm_bz2", "PDB_cm_gz", - "PDB_mc", "PDB_mc_bz2", "PDB_mc_gz", + "PDB_cm", + "PDB_cm_bz2", + "PDB_cm_gz", + "PDB_mc", + "PDB_mc_bz2", + "PDB_mc_gz", "PDB_chainidnewres", # Issue 1110 - "PDB_sameresid_diffresname", #Case where two residues share the same resid + "PDB_sameresid_diffresname", # Case where two residues share the same resid "PDB_chainidrepeat", # Issue #1107 - "PDB", "GRO", "XTC", "TRR", "TPR", "GRO_velocity", # Gromacs (AdK) + "PDB", + "GRO", + "XTC", + "TRR", + "TPR", + "GRO_velocity", # Gromacs (AdK) "GRO_incomplete_vels", "COORDINATES_GRO_BZ2", - "GRO_large", #atom number truncation at > 100,000 particles, Issue 550 + "GRO_large", # atom number truncation at > 100,000 particles, Issue 550 "GRO_residwrap", # resids wrapping because of 5 digit field (Issue #728) "GRO_residwrap_0base", # corner case of #728 with resid=0 for first atom "GRO_sameresid_diffresname", # Case where two residues share the same resid - "PDB_xvf", "TPR_xvf", "TRR_xvf", # Gromacs coords/veloc/forces (cobrotoxin, OPLS-AA, Gromacs 4.5.5 tpr) + "PDB_xvf", + "TPR_xvf", + "TRR_xvf", # Gromacs coords/veloc/forces (cobrotoxin, OPLS-AA, Gromacs 4.5.5 tpr) "H5MD_xvf", # TPR_xvf + TRR_xvf converted to h5md format "H5MD_energy", # H5MD trajectory with observables/atoms/energy "H5MD_malformed", # H5MD trajectory with malformed observable group "XVG_BZ2", # Compressed xvg file about cobrotoxin "PDB_xlserial", - "TPR400", "TPR402", "TPR403", "TPR404", "TPR405", "TPR406", "TPR407", - "TPR450", "TPR451", "TPR452", "TPR453", "TPR454", "TPR455", "TPR455Double", - "TPR460", "TPR461", "TPR502", "TPR504", "TPR505", "TPR510", "TPR2016", - "TPR2018", "TPR2019B3", "TPR2020B2", "TPR2020", "TPR2020Double", - "TPR2021", "TPR2021Double", "TPR2022RC1", "TPR2023", "TPR2024", - "TPR510_bonded", "TPR2016_bonded", "TPR2018_bonded", "TPR2019B3_bonded", - "TPR2020B2_bonded", "TPR2020_bonded", "TPR2020_double_bonded", - "TPR2021_bonded", "TPR2021_double_bonded", "TPR2022RC1_bonded", - "TPR334_bonded", "TPR2023_bonded", "TPR2024_bonded", - "TPR_EXTRA_2021", "TPR_EXTRA_2020", "TPR_EXTRA_2018", - "TPR_EXTRA_2016", "TPR_EXTRA_407", "TPR_EXTRA_2022RC1", - "TPR_EXTRA_2023", "TPR_EXTRA_2024", - "PDB_sub_sol", "PDB_sub_dry", # TRRReader sub selection + "TPR400", + "TPR402", + "TPR403", + "TPR404", + "TPR405", + "TPR406", + "TPR407", + "TPR450", + "TPR451", + "TPR452", + "TPR453", + "TPR454", + "TPR455", + "TPR455Double", + "TPR460", + "TPR461", + "TPR502", + "TPR504", + "TPR505", + "TPR510", + "TPR2016", + "TPR2018", + "TPR2019B3", + "TPR2020B2", + "TPR2020", + "TPR2020Double", + "TPR2021", + "TPR2021Double", + "TPR2022RC1", + "TPR2023", + "TPR2024", + "TPR510_bonded", + "TPR2016_bonded", + "TPR2018_bonded", + "TPR2019B3_bonded", + "TPR2020B2_bonded", + "TPR2020_bonded", + "TPR2020_double_bonded", + "TPR2021_bonded", + "TPR2021_double_bonded", + "TPR2022RC1_bonded", + "TPR334_bonded", + "TPR2023_bonded", + "TPR2024_bonded", + "TPR_EXTRA_2021", + "TPR_EXTRA_2020", + "TPR_EXTRA_2018", + "TPR_EXTRA_2016", + "TPR_EXTRA_407", + "TPR_EXTRA_2022RC1", + "TPR_EXTRA_2023", + "TPR_EXTRA_2024", + "PDB_sub_sol", + "PDB_sub_dry", # TRRReader sub selection "TRR_sub_sol", "XTC_sub_sol", - "XYZ", "XYZ_psf", "XYZ_bz2", - "XYZ_mini", "XYZ_five", # 3 and 5 atoms xyzs for an easy topology - "TXYZ", "ARC", "ARC_PBC", # Tinker files + "XYZ", + "XYZ_psf", + "XYZ_bz2", + "XYZ_mini", + "XYZ_five", # 3 and 5 atoms xyzs for an easy topology + "TXYZ", + "ARC", + "ARC_PBC", # Tinker files "PRM", "PRM_chainid_bz2", "TRJ", "TRJ_bz2", # Amber (no periodic box) "INPCRD", - "PRMpbc", "TRJpbc_bz2", # Amber (periodic box) - "PRM7", "NCDFtruncoct", # Amber (cpptrj test trajectory, see Issue 488) - "PRM12", "TRJ12_bz2", # Amber (v12 format, Issue 100) - "PRMncdf", "TRJncdf", "NCDF", # Amber (netcdf) - "PFncdf_Top", "PFncdf_Trj", # Amber ncdf with Positions and Forces - "CPPTRAJ_TRAJ_TOP", "CPPTRAJ_TRAJ", # Amber ncdf extracted from CPPTRAJ without time variable + "PRMpbc", + "TRJpbc_bz2", # Amber (periodic box) + "PRM7", + "NCDFtruncoct", # Amber (cpptrj test trajectory, see Issue 488) + "PRM12", + "TRJ12_bz2", # Amber (v12 format, Issue 100) + "PRMncdf", + "TRJncdf", + "NCDF", # Amber (netcdf) + "PFncdf_Top", + "PFncdf_Trj", # Amber ncdf with Positions and Forces + "CPPTRAJ_TRAJ_TOP", + "CPPTRAJ_TRAJ", # Amber ncdf extracted from CPPTRAJ without time variable "PRMcs", # Amber (format, Issue 1331) "PRMNCRST", # Amber ncrst with positions/forces/velocities - "PRM_NCBOX", "TRJ_NCBOX", # Amber parm7 + nc w/ pos/forces/vels/box + "PRM_NCBOX", + "TRJ_NCBOX", # Amber parm7 + nc w/ pos/forces/vels/box "PRMNEGATIVE", # Amber negative ATOMIC_NUMBER (Issue 2306) "PRMErr1", # Amber TOP files to check raised errors "PRMErr2", @@ -120,7 +193,8 @@ "PRMErr4", "PRMErr5", "PRM_UreyBradley", # prmtop from ParmEd test files with Urey-Bradley angles - "PRM7_ala2", "RST7_ala2", # prmtop and rst files from ParmEd example files + "PRM7_ala2", + "RST7_ala2", # prmtop and rst files from ParmEd example files "PRM19SBOPC", # prmtop w/ ff19SB CMAP terms and OPC water (Issue #2449) "PQR", # PQR v1 "PQR_icodes", # PQR v2 with icodes @@ -138,7 +212,8 @@ "DMS_NO_SEGID", # ADK closed with no segids or chains "CONECT", # HIV Reverse Transcriptase with inhibitor "CONECT_ERROR", # PDB file with corrupt CONECT - "TRZ", "TRZ_psf", + "TRZ", + "TRZ_psf", "TRIC", "XTC_multi_frame", "TRR_multi_frame", @@ -146,15 +221,32 @@ "TNG_traj_gro", # topology for argon_npt_compressed_traj "TNG_traj_uneven_blocks", # TNG trajectory with pos and vel deposited on different strides "TNG_traj_vels_forces", # similar to above but with velocities and forces - "merge_protein", "merge_ligand", "merge_water", - "mol2_molecules", "mol2_molecule", "mol2_broken_molecule", - "mol2_zinc", "mol2_comments_header", "mol2_ligand", "mol2_sodium_ion", - "capping_input", "capping_output", "capping_ace", "capping_nma", - "contacts_villin_folded", "contacts_villin_unfolded", "contacts_file", - "LAMMPSdata", "trz4data", "LAMMPSdata_mini", - "LAMMPSdata2", "LAMMPSdcd2", - "LAMMPScnt", "LAMMPScnt2", # triclinic box - "LAMMPShyd", "LAMMPShyd2", + "merge_protein", + "merge_ligand", + "merge_water", + "mol2_molecules", + "mol2_molecule", + "mol2_broken_molecule", + "mol2_zinc", + "mol2_comments_header", + "mol2_ligand", + "mol2_sodium_ion", + "capping_input", + "capping_output", + "capping_ace", + "capping_nma", + "contacts_villin_folded", + "contacts_villin_unfolded", + "contacts_file", + "LAMMPSdata", + "trz4data", + "LAMMPSdata_mini", + "LAMMPSdata2", + "LAMMPSdcd2", + "LAMMPScnt", + "LAMMPScnt2", # triclinic box + "LAMMPShyd", + "LAMMPShyd2", "LAMMPSdata_many_bonds", "LAMMPSdata_deletedatoms", # with deleted atoms "LAMMPSdata_triclinic", # lammpsdata file to test triclinic dimension parsing, albite with most atoms deleted @@ -167,22 +259,29 @@ "LAMMPSDUMP_triclinic", # lammpsdump file to test triclinic dimension parsing, albite with most atoms deleted "LAMMPSDUMP_image_vf", # Lammps dump file with image flags, velocities, and forces. "LAMMPS_image_vf", # Lammps data file to go with LAMMPSDUMP_image_vf - "LAMMPSDUMP_chain1", # Lammps dump file with chain reader - "LAMMPSDUMP_chain2", # Lammps dump file with chain reader - "LAMMPS_chain", # Lammps data file with chain reader + "LAMMPSDUMP_chain1", # Lammps dump file with chain reader + "LAMMPSDUMP_chain2", # Lammps dump file with chain reader + "LAMMPS_chain", # Lammps data file with chain reader "LAMMPSDUMP_additional_columns", # lammpsdump file with additional data (an additional charge column) "unordered_res", # pdb file with resids non sequential "GMS_ASYMOPT", # GAMESS C1 optimization - "GMS_SYMOPT", # GAMESS D4h optimization + "GMS_SYMOPT", # GAMESS D4h optimization "GMS_ASYMSURF", # GAMESS C1 surface - "two_water_gro", "two_water_gro_nonames", # for bond guessing, 2 water molecules, one with weird names + "two_water_gro", + "two_water_gro_nonames", # for bond guessing, 2 water molecules, one with weird names "two_water_gro_multiframe", "two_water_gro_widebox", # Issue #548 - "DLP_CONFIG", "DLP_CONFIG_order", "DLP_CONFIG_minimal", # dl_poly 4 config file - "DLP_HISTORY", "DLP_HISTORY_order", "DLP_HISTORY_minimal", # dl_poly 4 history file + "DLP_CONFIG", + "DLP_CONFIG_order", + "DLP_CONFIG_minimal", # dl_poly 4 config file + "DLP_HISTORY", + "DLP_HISTORY_order", + "DLP_HISTORY_minimal", # dl_poly 4 history file "DLP_HISTORY_minimal_cell", # dl_poly 4 history file with cell parameters "DLP_HISTORY_classic", # dl_poly classic history file - "waterPSF","waterDCD","rmsfArray", + "waterPSF", + "waterDCD", + "rmsfArray", "HoomdXMLdata", "Make_Whole", # for testing the function lib.mdamath.make_whole, has 9 atoms "fullerene", # for make_whole, a nice friendly C60 with bonds @@ -199,37 +298,60 @@ "COORDINATES_DCD", "COORDINATES_TOPOLOGY", "NUCLsel", - "GRO_empty_atom", "GRO_missing_atomname", # for testing GROParser exception raise - "ENT", #for testing ENT file extension + "GRO_empty_atom", + "GRO_missing_atomname", # for testing GROParser exception raise + "ENT", # for testing ENT file extension "RANDOM_WALK", "RANDOM_WALK_TOPO", # garbage topology to go along with XTC positions above - "AUX_XVG", "XVG_BAD_NCOL", #for testing .xvg auxiliary reader - "AUX_XVG_LOWF", "AUX_XVG_HIGHF", - "AUX_EDR", "AUX_EDR_TPR", - "AUX_EDR_XTC", "AUX_EDR_RAW", + "AUX_XVG", + "XVG_BAD_NCOL", # for testing .xvg auxiliary reader + "AUX_XVG_LOWF", + "AUX_XVG_HIGHF", + "AUX_EDR", + "AUX_EDR_TPR", + "AUX_EDR_XTC", + "AUX_EDR_RAW", "AUX_EDR_SINGLE_FRAME", # for testing .edr auxiliary reader - "MMTF", "MMTF_gz", 'MMTF_skinny', # skinny - some optional fields stripped out + "MMTF", + "MMTF_gz", + "MMTF_skinny", # skinny - some optional fields stripped out "MMTF_skinny2", "ALIGN_BOUND", # two component bound system "ALIGN_UNBOUND", # two component unbound system "legacy_DCD_ADK_coords", # frames 5 and 29 read in for adk_dims.dcd using legacy DCD reader "legacy_DCD_NAMD_coords", # frame 0 read in for SiN_tric_namd.dcd using legacy DCD reader "legacy_DCD_c36_coords", # frames 1 and 4 read in for tip125_tric_C36.dcd using legacy DCD reader - "GSD", "GSD_bonds", "GSD_long", - "TRC_PDB_VAC", "TRC_TRAJ1_VAC", "TRC_TRAJ2_VAC", # 2x 3 frames of vacuum trajectory from GROMOS11 tutorial + "GSD", + "GSD_bonds", + "GSD_long", + "TRC_PDB_VAC", + "TRC_TRAJ1_VAC", + "TRC_TRAJ2_VAC", # 2x 3 frames of vacuum trajectory from GROMOS11 tutorial "TRC_CLUSTER_VAC", # three frames without TIMESTEP and GENBOX block but with unsupported POSITION block - "TRC_TRICLINIC_SOLV", "TRC_TRUNCOCT_VAC", - "TRC_GENBOX_ORIGIN", "TRC_GENBOX_EULER", + "TRC_TRICLINIC_SOLV", + "TRC_TRUNCOCT_VAC", + "TRC_GENBOX_ORIGIN", + "TRC_GENBOX_EULER", "TRC_EMPTY", # Empty file containing only one space - "TRC_PDB_SOLV", "TRC_TRAJ_SOLV", # 2 frames of solvated trajectory from GROMOS11 tutorial - "GRO_MEMPROT", "XTC_MEMPROT", # YiiP transporter in POPE:POPG lipids with Na+, Cl-, Zn2+ dummy model without water - "DihedralArray", "DihedralsArray", # time series of single dihedral - "RamaArray", "GLYRamaArray", # time series of phi/psi angles - "JaninArray", "LYSJaninArray", # time series of chi1/chi2 angles - "PDB_rama", "PDB_janin", # for testing failures of Ramachandran and Janin classes + "TRC_PDB_SOLV", + "TRC_TRAJ_SOLV", # 2 frames of solvated trajectory from GROMOS11 tutorial + "GRO_MEMPROT", + "XTC_MEMPROT", # YiiP transporter in POPE:POPG lipids with Na+, Cl-, Zn2+ dummy model without water + "DihedralArray", + "DihedralsArray", # time series of single dihedral + "RamaArray", + "GLYRamaArray", # time series of phi/psi angles + "JaninArray", + "LYSJaninArray", # time series of chi1/chi2 angles + "PDB_rama", + "PDB_janin", # for testing failures of Ramachandran and Janin classes "BATArray", # time series of bond-angle-torsion coordinates array from Molecule_comments_header.mol2 # DOS line endings - "WIN_PDB_multiframe", "WIN_DLP_HISTORY", "WIN_TRJ", "WIN_LAMMPSDUMP", "WIN_ARC", + "WIN_PDB_multiframe", + "WIN_DLP_HISTORY", + "WIN_TRJ", + "WIN_LAMMPSDUMP", + "WIN_ARC", "GRO_huge_box", # for testing gro parser with hige box sizes "ITP", # for GROMACS generated itps "ITP_nomass", # for ATB generated itps @@ -259,225 +381,243 @@ from importlib import resources import MDAnalysisTests.data -_data_ref = resources.files('MDAnalysisTests.data') - -WIN_PDB_multiframe = (_data_ref / 'windows/WIN_nmr_neopetrosiamide.pdb').as_posix() -WIN_DLP_HISTORY = (_data_ref / 'windows/WIN_HISTORY').as_posix() -WIN_TRJ = (_data_ref / 'windows/WIN_ache.mdcrd').as_posix() -WIN_ARC = (_data_ref / 'windows/WIN_test.arc').as_posix() -WIN_LAMMPSDUMP = (_data_ref / 'windows/WIN_wat.lammpstrj').as_posix() - -legacy_DCD_NAMD_coords = (_data_ref / 'legacy_DCD_NAMD_coords.npy').as_posix() -legacy_DCD_ADK_coords = (_data_ref / 'legacy_DCD_adk_coords.npy').as_posix() -legacy_DCD_c36_coords = (_data_ref / 'legacy_DCD_c36_coords.npy').as_posix() -AUX_XVG_LOWF = (_data_ref / 'test_lowf.xvg').as_posix() -AUX_XVG_HIGHF = (_data_ref / 'test_highf.xvg').as_posix() -XVG_BAD_NCOL = (_data_ref / 'bad_num_col.xvg').as_posix() -AUX_XVG = (_data_ref / 'test.xvg').as_posix() -AUX_EDR = (_data_ref / 'test.edr').as_posix() -AUX_EDR_RAW = (_data_ref / 'aux_edr_raw.txt').as_posix() -AUX_EDR_TPR = (_data_ref / 'aux_edr.tpr').as_posix() -AUX_EDR_XTC = (_data_ref / 'aux_edr.xtc').as_posix() -AUX_EDR_SINGLE_FRAME = (_data_ref / 'single_frame.edr').as_posix() -ENT = (_data_ref / 'testENT.ent').as_posix() -GRO_missing_atomname = (_data_ref / 'missing_atomname.gro').as_posix() -GRO_empty_atom = (_data_ref / 'empty_atom.gro').as_posix() -GRO_huge_box = (_data_ref / 'huge_box.gro').as_posix() - -COORDINATES_GRO = (_data_ref / 'coordinates/test.gro').as_posix() -COORDINATES_GRO_INCOMPLETE_VELOCITY = (_data_ref / 'coordinates/test_incomplete_vel.gro').as_posix() -COORDINATES_GRO_BZ2 = (_data_ref / 'coordinates/test.gro.bz2').as_posix() -COORDINATES_XYZ = (_data_ref / 'coordinates/test.xyz').as_posix() -COORDINATES_XYZ_BZ2 = (_data_ref / 'coordinates/test.xyz.bz2').as_posix() -COORDINATES_XTC = (_data_ref / 'coordinates/test.xtc').as_posix() -COORDINATES_TRR = (_data_ref / 'coordinates/test.trr').as_posix() -COORDINATES_TNG = (_data_ref / 'coordinates/test.tng').as_posix() -COORDINATES_H5MD = (_data_ref / 'coordinates/test.h5md').as_posix() -COORDINATES_DCD = (_data_ref / 'coordinates/test.dcd').as_posix() -COORDINATES_TOPOLOGY = (_data_ref / 'coordinates/test_topology.pdb').as_posix() - -PSF = (_data_ref / 'adk.psf').as_posix() -PSF_notop = (_data_ref / 'adk_notop.psf').as_posix() -PSF_BAD = (_data_ref / 'adk_notop_BAD.psf').as_posix() -DCD = (_data_ref / 'adk_dims.dcd').as_posix() -DCD_empty = (_data_ref / 'empty.dcd').as_posix() -CRD = (_data_ref / 'adk_open.crd').as_posix() -PSF_TRICLINIC = (_data_ref / 'tip125_tric_C36.psf').as_posix() -DCD_TRICLINIC = (_data_ref / 'tip125_tric_C36.dcd').as_posix() -DCD2 = (_data_ref / 'adk_dims2.dcd').as_posix() - -PSF_NAMD = (_data_ref / 'namd_cgenff.psf').as_posix() -PDB_NAMD = (_data_ref / 'namd_cgenff.pdb').as_posix() -PDB_multipole = (_data_ref / 'water_methane_acetic-acid_ammonia.pdb').as_posix() -PSF_NAMD_TRICLINIC = (_data_ref / 'SiN_tric_namd.psf').as_posix() -DCD_NAMD_TRICLINIC = (_data_ref / 'SiN_tric_namd.dcd').as_posix() -PSF_NAMD_GBIS = (_data_ref / 'adk_closed_NAMD.psf').as_posix() -DCD_NAMD_GBIS = (_data_ref / 'adk_gbis_tmd-fast1_NAMD.dcd').as_posix() - -PSF_nosegid = (_data_ref / 'nosegid.psf').as_posix() - -PSF_cmap = (_data_ref / 'parmed_ala3.psf').as_posix() - -PSF_inscode = (_data_ref / '1a2c_ins_code.psf').as_posix() - -PDB_varying = (_data_ref / 'varying_occ_tmp.pdb').as_posix() -PDB_small = (_data_ref / 'adk_open.pdb').as_posix() -PDB_closed = (_data_ref / 'adk_closed.pdb').as_posix() - -ALIGN = (_data_ref / 'align.pdb').as_posix() -RNA_PSF = (_data_ref / 'analysis/1k5i_c36.psf.gz').as_posix() -RNA_PDB = (_data_ref / 'analysis/1k5i_c36.pdb.gz').as_posix() -INC_PDB = (_data_ref / 'incomplete.pdb').as_posix() -PDB_cm = (_data_ref / 'cryst_then_model.pdb').as_posix() -PDB_cm_gz = (_data_ref / 'cryst_then_model.pdb.gz').as_posix() -PDB_cm_bz2 = (_data_ref / 'cryst_then_model.pdb.bz2').as_posix() -PDB_mc = (_data_ref / 'model_then_cryst.pdb').as_posix() -PDB_mc_gz = (_data_ref / 'model_then_cryst.pdb.gz').as_posix() -PDB_mc_bz2 = (_data_ref / 'model_then_cryst.pdb.bz2').as_posix() -PDB_chainidnewres = (_data_ref / 'chainIDnewres.pdb.gz').as_posix() -PDB_sameresid_diffresname = (_data_ref / 'sameresid_diffresname.pdb').as_posix() -PDB_chainidrepeat = (_data_ref / 'chainIDrepeat.pdb.gz').as_posix() -PDB_multiframe = (_data_ref / 'nmr_neopetrosiamide.pdb').as_posix() -PDB_helix = (_data_ref / 'A6PA6_alpha.pdb').as_posix() -PDB_conect = (_data_ref / 'conect_parsing.pdb').as_posix() -PDB_conect2TER = (_data_ref / 'CONECT2TER.pdb').as_posix() -PDB_singleconect = (_data_ref / 'SINGLECONECT.pdb').as_posix() -PDB_icodes = (_data_ref / '1osm.pdb.gz').as_posix() -PDB_CRYOEM_BOX = (_data_ref / '5a7u.pdb').as_posix() -PDB_CHECK_RIGHTHAND_PA = (_data_ref / '6msm.pdb.bz2').as_posix() -FHIAIMS = (_data_ref / 'fhiaims.in').as_posix() - -GRO = (_data_ref / 'adk_oplsaa.gro').as_posix() -GRO_velocity = (_data_ref / 'sample_velocity_file.gro').as_posix() -GRO_incomplete_vels = (_data_ref / 'grovels.gro').as_posix() -GRO_large = (_data_ref / 'bigbox.gro.bz2').as_posix() -GRO_residwrap = (_data_ref / 'residwrap.gro').as_posix() -GRO_residwrap_0base = (_data_ref / 'residwrap_0base.gro').as_posix() -GRO_sameresid_diffresname = (_data_ref / 'sameresid_diffresname.gro').as_posix() -PDB = (_data_ref / 'adk_oplsaa.pdb').as_posix() -XTC = (_data_ref / 'adk_oplsaa.xtc').as_posix() -TRR = (_data_ref / 'adk_oplsaa.trr').as_posix() -TPR = (_data_ref / 'adk_oplsaa.tpr').as_posix() -PDB_sub_dry = (_data_ref / 'cobrotoxin_dry_neutral_0.pdb').as_posix() -TRR_sub_sol = (_data_ref / 'cobrotoxin.trr').as_posix() -XTC_sub_sol = (_data_ref / 'cobrotoxin.xtc').as_posix() -PDB_sub_sol = (_data_ref / 'cobrotoxin.pdb').as_posix() -PDB_xlserial = (_data_ref / 'xl_serial.pdb').as_posix() -GRO_MEMPROT = (_data_ref / 'analysis/YiiP_lipids.gro.gz').as_posix() -XTC_MEMPROT = (_data_ref / 'analysis/YiiP_lipids.xtc').as_posix() -XTC_multi_frame = (_data_ref / 'xtc_test_only_10_frame_10_atoms.xtc').as_posix() -TRR_multi_frame = (_data_ref / 'trr_test_only_10_frame_10_atoms.trr').as_posix() -TNG_traj = (_data_ref / 'argon_npt_compressed.tng').as_posix() -TNG_traj_gro = (_data_ref / 'argon_npt_compressed.gro.gz').as_posix() -TNG_traj_uneven_blocks = (_data_ref / 'argon_npt_compressed_uneven.tng').as_posix() -TNG_traj_vels_forces = (_data_ref / 'argon_npt_compressed_vels_forces.tng').as_posix() -PDB_xvf = (_data_ref / 'cobrotoxin.pdb').as_posix() -TPR_xvf = (_data_ref / 'cobrotoxin.tpr').as_posix() -TRR_xvf = (_data_ref / 'cobrotoxin.trr').as_posix() -H5MD_xvf = (_data_ref / 'cobrotoxin.h5md').as_posix() -H5MD_energy = (_data_ref / 'cu.h5md').as_posix() -H5MD_malformed = (_data_ref / 'cu_malformed.h5md').as_posix() -XVG_BZ2 = (_data_ref / 'cobrotoxin_protein_forces.xvg.bz2').as_posix() - -XPDB_small = (_data_ref / '5digitResid.pdb').as_posix() +_data_ref = resources.files("MDAnalysisTests.data") + +WIN_PDB_multiframe = (_data_ref / "windows/WIN_nmr_neopetrosiamide.pdb").as_posix() +WIN_DLP_HISTORY = (_data_ref / "windows/WIN_HISTORY").as_posix() +WIN_TRJ = (_data_ref / "windows/WIN_ache.mdcrd").as_posix() +WIN_ARC = (_data_ref / "windows/WIN_test.arc").as_posix() +WIN_LAMMPSDUMP = (_data_ref / "windows/WIN_wat.lammpstrj").as_posix() + +legacy_DCD_NAMD_coords = (_data_ref / "legacy_DCD_NAMD_coords.npy").as_posix() +legacy_DCD_ADK_coords = (_data_ref / "legacy_DCD_adk_coords.npy").as_posix() +legacy_DCD_c36_coords = (_data_ref / "legacy_DCD_c36_coords.npy").as_posix() +AUX_XVG_LOWF = (_data_ref / "test_lowf.xvg").as_posix() +AUX_XVG_HIGHF = (_data_ref / "test_highf.xvg").as_posix() +XVG_BAD_NCOL = (_data_ref / "bad_num_col.xvg").as_posix() +AUX_XVG = (_data_ref / "test.xvg").as_posix() +AUX_EDR = (_data_ref / "test.edr").as_posix() +AUX_EDR_RAW = (_data_ref / "aux_edr_raw.txt").as_posix() +AUX_EDR_TPR = (_data_ref / "aux_edr.tpr").as_posix() +AUX_EDR_XTC = (_data_ref / "aux_edr.xtc").as_posix() +AUX_EDR_SINGLE_FRAME = (_data_ref / "single_frame.edr").as_posix() +ENT = (_data_ref / "testENT.ent").as_posix() +GRO_missing_atomname = (_data_ref / "missing_atomname.gro").as_posix() +GRO_empty_atom = (_data_ref / "empty_atom.gro").as_posix() +GRO_huge_box = (_data_ref / "huge_box.gro").as_posix() + +COORDINATES_GRO = (_data_ref / "coordinates/test.gro").as_posix() +COORDINATES_GRO_INCOMPLETE_VELOCITY = ( + _data_ref / "coordinates/test_incomplete_vel.gro" +).as_posix() +COORDINATES_GRO_BZ2 = (_data_ref / "coordinates/test.gro.bz2").as_posix() +COORDINATES_XYZ = (_data_ref / "coordinates/test.xyz").as_posix() +COORDINATES_XYZ_BZ2 = (_data_ref / "coordinates/test.xyz.bz2").as_posix() +COORDINATES_XTC = (_data_ref / "coordinates/test.xtc").as_posix() +COORDINATES_TRR = (_data_ref / "coordinates/test.trr").as_posix() +COORDINATES_TNG = (_data_ref / "coordinates/test.tng").as_posix() +COORDINATES_H5MD = (_data_ref / "coordinates/test.h5md").as_posix() +COORDINATES_DCD = (_data_ref / "coordinates/test.dcd").as_posix() +COORDINATES_TOPOLOGY = (_data_ref / "coordinates/test_topology.pdb").as_posix() + +PSF = (_data_ref / "adk.psf").as_posix() +PSF_notop = (_data_ref / "adk_notop.psf").as_posix() +PSF_BAD = (_data_ref / "adk_notop_BAD.psf").as_posix() +DCD = (_data_ref / "adk_dims.dcd").as_posix() +DCD_empty = (_data_ref / "empty.dcd").as_posix() +CRD = (_data_ref / "adk_open.crd").as_posix() +PSF_TRICLINIC = (_data_ref / "tip125_tric_C36.psf").as_posix() +DCD_TRICLINIC = (_data_ref / "tip125_tric_C36.dcd").as_posix() +DCD2 = (_data_ref / "adk_dims2.dcd").as_posix() + +PSF_NAMD = (_data_ref / "namd_cgenff.psf").as_posix() +PDB_NAMD = (_data_ref / "namd_cgenff.pdb").as_posix() +PDB_multipole = (_data_ref / "water_methane_acetic-acid_ammonia.pdb").as_posix() +PSF_NAMD_TRICLINIC = (_data_ref / "SiN_tric_namd.psf").as_posix() +DCD_NAMD_TRICLINIC = (_data_ref / "SiN_tric_namd.dcd").as_posix() +PSF_NAMD_GBIS = (_data_ref / "adk_closed_NAMD.psf").as_posix() +DCD_NAMD_GBIS = (_data_ref / "adk_gbis_tmd-fast1_NAMD.dcd").as_posix() + +PSF_nosegid = (_data_ref / "nosegid.psf").as_posix() + +PSF_cmap = (_data_ref / "parmed_ala3.psf").as_posix() + +PSF_inscode = (_data_ref / "1a2c_ins_code.psf").as_posix() + +PDB_varying = (_data_ref / "varying_occ_tmp.pdb").as_posix() +PDB_small = (_data_ref / "adk_open.pdb").as_posix() +PDB_closed = (_data_ref / "adk_closed.pdb").as_posix() + +ALIGN = (_data_ref / "align.pdb").as_posix() +RNA_PSF = (_data_ref / "analysis/1k5i_c36.psf.gz").as_posix() +RNA_PDB = (_data_ref / "analysis/1k5i_c36.pdb.gz").as_posix() +INC_PDB = (_data_ref / "incomplete.pdb").as_posix() +PDB_cm = (_data_ref / "cryst_then_model.pdb").as_posix() +PDB_cm_gz = (_data_ref / "cryst_then_model.pdb.gz").as_posix() +PDB_cm_bz2 = (_data_ref / "cryst_then_model.pdb.bz2").as_posix() +PDB_mc = (_data_ref / "model_then_cryst.pdb").as_posix() +PDB_mc_gz = (_data_ref / "model_then_cryst.pdb.gz").as_posix() +PDB_mc_bz2 = (_data_ref / "model_then_cryst.pdb.bz2").as_posix() +PDB_chainidnewres = (_data_ref / "chainIDnewres.pdb.gz").as_posix() +PDB_sameresid_diffresname = (_data_ref / "sameresid_diffresname.pdb").as_posix() +PDB_chainidrepeat = (_data_ref / "chainIDrepeat.pdb.gz").as_posix() +PDB_multiframe = (_data_ref / "nmr_neopetrosiamide.pdb").as_posix() +PDB_helix = (_data_ref / "A6PA6_alpha.pdb").as_posix() +PDB_conect = (_data_ref / "conect_parsing.pdb").as_posix() +PDB_conect2TER = (_data_ref / "CONECT2TER.pdb").as_posix() +PDB_singleconect = (_data_ref / "SINGLECONECT.pdb").as_posix() +PDB_icodes = (_data_ref / "1osm.pdb.gz").as_posix() +PDB_CRYOEM_BOX = (_data_ref / "5a7u.pdb").as_posix() +PDB_CHECK_RIGHTHAND_PA = (_data_ref / "6msm.pdb.bz2").as_posix() +FHIAIMS = (_data_ref / "fhiaims.in").as_posix() + +GRO = (_data_ref / "adk_oplsaa.gro").as_posix() +GRO_velocity = (_data_ref / "sample_velocity_file.gro").as_posix() +GRO_incomplete_vels = (_data_ref / "grovels.gro").as_posix() +GRO_large = (_data_ref / "bigbox.gro.bz2").as_posix() +GRO_residwrap = (_data_ref / "residwrap.gro").as_posix() +GRO_residwrap_0base = (_data_ref / "residwrap_0base.gro").as_posix() +GRO_sameresid_diffresname = (_data_ref / "sameresid_diffresname.gro").as_posix() +PDB = (_data_ref / "adk_oplsaa.pdb").as_posix() +XTC = (_data_ref / "adk_oplsaa.xtc").as_posix() +TRR = (_data_ref / "adk_oplsaa.trr").as_posix() +TPR = (_data_ref / "adk_oplsaa.tpr").as_posix() +PDB_sub_dry = (_data_ref / "cobrotoxin_dry_neutral_0.pdb").as_posix() +TRR_sub_sol = (_data_ref / "cobrotoxin.trr").as_posix() +XTC_sub_sol = (_data_ref / "cobrotoxin.xtc").as_posix() +PDB_sub_sol = (_data_ref / "cobrotoxin.pdb").as_posix() +PDB_xlserial = (_data_ref / "xl_serial.pdb").as_posix() +GRO_MEMPROT = (_data_ref / "analysis/YiiP_lipids.gro.gz").as_posix() +XTC_MEMPROT = (_data_ref / "analysis/YiiP_lipids.xtc").as_posix() +XTC_multi_frame = (_data_ref / "xtc_test_only_10_frame_10_atoms.xtc").as_posix() +TRR_multi_frame = (_data_ref / "trr_test_only_10_frame_10_atoms.trr").as_posix() +TNG_traj = (_data_ref / "argon_npt_compressed.tng").as_posix() +TNG_traj_gro = (_data_ref / "argon_npt_compressed.gro.gz").as_posix() +TNG_traj_uneven_blocks = (_data_ref / "argon_npt_compressed_uneven.tng").as_posix() +TNG_traj_vels_forces = (_data_ref / "argon_npt_compressed_vels_forces.tng").as_posix() +PDB_xvf = (_data_ref / "cobrotoxin.pdb").as_posix() +TPR_xvf = (_data_ref / "cobrotoxin.tpr").as_posix() +TRR_xvf = (_data_ref / "cobrotoxin.trr").as_posix() +H5MD_xvf = (_data_ref / "cobrotoxin.h5md").as_posix() +H5MD_energy = (_data_ref / "cu.h5md").as_posix() +H5MD_malformed = (_data_ref / "cu_malformed.h5md").as_posix() +XVG_BZ2 = (_data_ref / "cobrotoxin_protein_forces.xvg.bz2").as_posix() + +XPDB_small = (_data_ref / "5digitResid.pdb").as_posix() # number is the gromacs version -TPR400 = (_data_ref / 'tprs/2lyz_gmx_4.0.tpr').as_posix() -TPR402 = (_data_ref / 'tprs/2lyz_gmx_4.0.2.tpr').as_posix() -TPR403 = (_data_ref / 'tprs/2lyz_gmx_4.0.3.tpr').as_posix() -TPR404 = (_data_ref / 'tprs/2lyz_gmx_4.0.4.tpr').as_posix() -TPR405 = (_data_ref / 'tprs/2lyz_gmx_4.0.5.tpr').as_posix() -TPR406 = (_data_ref / 'tprs/2lyz_gmx_4.0.6.tpr').as_posix() -TPR407 = (_data_ref / 'tprs/2lyz_gmx_4.0.7.tpr').as_posix() -TPR450 = (_data_ref / 'tprs/2lyz_gmx_4.5.tpr').as_posix() -TPR451 = (_data_ref / 'tprs/2lyz_gmx_4.5.1.tpr').as_posix() -TPR452 = (_data_ref / 'tprs/2lyz_gmx_4.5.2.tpr').as_posix() -TPR453 = (_data_ref / 'tprs/2lyz_gmx_4.5.3.tpr').as_posix() -TPR454 = (_data_ref / 'tprs/2lyz_gmx_4.5.4.tpr').as_posix() -TPR455 = (_data_ref / 'tprs/2lyz_gmx_4.5.5.tpr').as_posix() -TPR502 = (_data_ref / 'tprs/2lyz_gmx_5.0.2.tpr').as_posix() -TPR504 = (_data_ref / 'tprs/2lyz_gmx_5.0.4.tpr').as_posix() -TPR505 = (_data_ref / 'tprs/2lyz_gmx_5.0.5.tpr').as_posix() -TPR510 = (_data_ref / 'tprs/2lyz_gmx_5.1.tpr').as_posix() -TPR2016 = (_data_ref / 'tprs/2lyz_gmx_2016.tpr').as_posix() -TPR2018 = (_data_ref / 'tprs/2lyz_gmx_2018.tpr').as_posix() -TPR2019B3 = (_data_ref / 'tprs/2lyz_gmx_2019-beta3.tpr').as_posix() -TPR2020B2 = (_data_ref / 'tprs/2lyz_gmx_2020-beta2.tpr').as_posix() -TPR2020 = (_data_ref / 'tprs/2lyz_gmx_2020.tpr').as_posix() -TPR2021 = (_data_ref / 'tprs/2lyz_gmx_2021.tpr').as_posix() -TPR2022RC1 = (_data_ref / 'tprs/2lyz_gmx_2022-rc1.tpr').as_posix() -TPR2023 = (_data_ref / 'tprs/2lyz_gmx_2023.tpr').as_posix() -TPR2024 = (_data_ref / 'tprs/2lyz_gmx_2024.tpr').as_posix() +TPR400 = (_data_ref / "tprs/2lyz_gmx_4.0.tpr").as_posix() +TPR402 = (_data_ref / "tprs/2lyz_gmx_4.0.2.tpr").as_posix() +TPR403 = (_data_ref / "tprs/2lyz_gmx_4.0.3.tpr").as_posix() +TPR404 = (_data_ref / "tprs/2lyz_gmx_4.0.4.tpr").as_posix() +TPR405 = (_data_ref / "tprs/2lyz_gmx_4.0.5.tpr").as_posix() +TPR406 = (_data_ref / "tprs/2lyz_gmx_4.0.6.tpr").as_posix() +TPR407 = (_data_ref / "tprs/2lyz_gmx_4.0.7.tpr").as_posix() +TPR450 = (_data_ref / "tprs/2lyz_gmx_4.5.tpr").as_posix() +TPR451 = (_data_ref / "tprs/2lyz_gmx_4.5.1.tpr").as_posix() +TPR452 = (_data_ref / "tprs/2lyz_gmx_4.5.2.tpr").as_posix() +TPR453 = (_data_ref / "tprs/2lyz_gmx_4.5.3.tpr").as_posix() +TPR454 = (_data_ref / "tprs/2lyz_gmx_4.5.4.tpr").as_posix() +TPR455 = (_data_ref / "tprs/2lyz_gmx_4.5.5.tpr").as_posix() +TPR502 = (_data_ref / "tprs/2lyz_gmx_5.0.2.tpr").as_posix() +TPR504 = (_data_ref / "tprs/2lyz_gmx_5.0.4.tpr").as_posix() +TPR505 = (_data_ref / "tprs/2lyz_gmx_5.0.5.tpr").as_posix() +TPR510 = (_data_ref / "tprs/2lyz_gmx_5.1.tpr").as_posix() +TPR2016 = (_data_ref / "tprs/2lyz_gmx_2016.tpr").as_posix() +TPR2018 = (_data_ref / "tprs/2lyz_gmx_2018.tpr").as_posix() +TPR2019B3 = (_data_ref / "tprs/2lyz_gmx_2019-beta3.tpr").as_posix() +TPR2020B2 = (_data_ref / "tprs/2lyz_gmx_2020-beta2.tpr").as_posix() +TPR2020 = (_data_ref / "tprs/2lyz_gmx_2020.tpr").as_posix() +TPR2021 = (_data_ref / "tprs/2lyz_gmx_2021.tpr").as_posix() +TPR2022RC1 = (_data_ref / "tprs/2lyz_gmx_2022-rc1.tpr").as_posix() +TPR2023 = (_data_ref / "tprs/2lyz_gmx_2023.tpr").as_posix() +TPR2024 = (_data_ref / "tprs/2lyz_gmx_2024.tpr").as_posix() # double precision -TPR455Double = (_data_ref / 'tprs/drew_gmx_4.5.5.double.tpr').as_posix() -TPR460 = (_data_ref / 'tprs/ab42_gmx_4.6.tpr').as_posix() -TPR461 = (_data_ref / 'tprs/ab42_gmx_4.6.1.tpr').as_posix() -TPR2020Double = (_data_ref / 'tprs/2lyz_gmx_2020_double.tpr').as_posix() -TPR2021Double = (_data_ref / 'tprs/2lyz_gmx_2021_double.tpr').as_posix() +TPR455Double = (_data_ref / "tprs/drew_gmx_4.5.5.double.tpr").as_posix() +TPR460 = (_data_ref / "tprs/ab42_gmx_4.6.tpr").as_posix() +TPR461 = (_data_ref / "tprs/ab42_gmx_4.6.1.tpr").as_posix() +TPR2020Double = (_data_ref / "tprs/2lyz_gmx_2020_double.tpr").as_posix() +TPR2021Double = (_data_ref / "tprs/2lyz_gmx_2021_double.tpr").as_posix() # all bonded interactions -TPR334_bonded = (_data_ref / 'tprs/all_bonded/dummy_3.3.4.tpr').as_posix() -TPR510_bonded = (_data_ref / 'tprs/all_bonded/dummy_5.1.tpr').as_posix() -TPR2016_bonded = (_data_ref / 'tprs/all_bonded/dummy_2016.tpr').as_posix() -TPR2018_bonded = (_data_ref / 'tprs/all_bonded/dummy_2018.tpr').as_posix() -TPR2019B3_bonded = (_data_ref / 'tprs/all_bonded/dummy_2019-beta3.tpr').as_posix() -TPR2020B2_bonded = (_data_ref / 'tprs/all_bonded/dummy_2020-beta2.tpr').as_posix() -TPR2020_bonded = (_data_ref / 'tprs/all_bonded/dummy_2020.tpr').as_posix() -TPR2020_double_bonded = (_data_ref / 'tprs/all_bonded/dummy_2020_double.tpr').as_posix() -TPR2021_bonded = (_data_ref / 'tprs/all_bonded/dummy_2021.tpr').as_posix() -TPR2021_double_bonded = (_data_ref / 'tprs/all_bonded/dummy_2021_double.tpr').as_posix() -TPR2022RC1_bonded = (_data_ref / 'tprs/all_bonded/dummy_2022-rc1.tpr').as_posix() -TPR2023_bonded = (_data_ref / 'tprs/all_bonded/dummy_2023.tpr').as_posix() -TPR2024_bonded = (_data_ref / 'tprs/all_bonded/dummy_2024.tpr').as_posix() +TPR334_bonded = (_data_ref / "tprs/all_bonded/dummy_3.3.4.tpr").as_posix() +TPR510_bonded = (_data_ref / "tprs/all_bonded/dummy_5.1.tpr").as_posix() +TPR2016_bonded = (_data_ref / "tprs/all_bonded/dummy_2016.tpr").as_posix() +TPR2018_bonded = (_data_ref / "tprs/all_bonded/dummy_2018.tpr").as_posix() +TPR2019B3_bonded = (_data_ref / "tprs/all_bonded/dummy_2019-beta3.tpr").as_posix() +TPR2020B2_bonded = (_data_ref / "tprs/all_bonded/dummy_2020-beta2.tpr").as_posix() +TPR2020_bonded = (_data_ref / "tprs/all_bonded/dummy_2020.tpr").as_posix() +TPR2020_double_bonded = (_data_ref / "tprs/all_bonded/dummy_2020_double.tpr").as_posix() +TPR2021_bonded = (_data_ref / "tprs/all_bonded/dummy_2021.tpr").as_posix() +TPR2021_double_bonded = (_data_ref / "tprs/all_bonded/dummy_2021_double.tpr").as_posix() +TPR2022RC1_bonded = (_data_ref / "tprs/all_bonded/dummy_2022-rc1.tpr").as_posix() +TPR2023_bonded = (_data_ref / "tprs/all_bonded/dummy_2023.tpr").as_posix() +TPR2024_bonded = (_data_ref / "tprs/all_bonded/dummy_2024.tpr").as_posix() # all interactions -TPR_EXTRA_2024 = (_data_ref / 'tprs/virtual_sites/extra-interactions-2024.tpr').as_posix() -TPR_EXTRA_2023 = (_data_ref / 'tprs/virtual_sites/extra-interactions-2023.tpr').as_posix() -TPR_EXTRA_2022RC1 = (_data_ref / 'tprs/virtual_sites/extra-interactions-2022-rc1.tpr').as_posix() -TPR_EXTRA_2021 = (_data_ref / 'tprs/virtual_sites/extra-interactions-2021.tpr').as_posix() -TPR_EXTRA_2020 = (_data_ref / 'tprs/virtual_sites/extra-interactions-2020.tpr').as_posix() -TPR_EXTRA_2018 = (_data_ref / 'tprs/virtual_sites/extra-interactions-2018.tpr').as_posix() -TPR_EXTRA_2016 = (_data_ref / 'tprs/virtual_sites/extra-interactions-2016.3.tpr').as_posix() -TPR_EXTRA_407 = (_data_ref / 'tprs/virtual_sites/extra-interactions-4.0.7.tpr').as_posix() - -XYZ_psf = (_data_ref / '2r9r-1b.psf').as_posix() -XYZ_bz2 = (_data_ref / '2r9r-1b.xyz.bz2').as_posix() -XYZ = (_data_ref / '2r9r-1b.xyz').as_posix() -XYZ_mini = (_data_ref / 'mini.xyz').as_posix() -XYZ_five = (_data_ref / 'five.xyz').as_posix() -TXYZ = (_data_ref / 'coordinates/test.txyz').as_posix() -ARC = (_data_ref / 'coordinates/test.arc').as_posix() -ARC_PBC = (_data_ref / 'coordinates/new_hexane.arc').as_posix() - -PRM = (_data_ref / 'Amber/ache.prmtop').as_posix() -TRJ = (_data_ref / 'Amber/ache.mdcrd').as_posix() -INPCRD = (_data_ref / 'Amber/test.inpcrd').as_posix() -TRJ_bz2 = (_data_ref / 'Amber/ache.mdcrd.bz2').as_posix() -PFncdf_Top = (_data_ref / 'Amber/posfor.top').as_posix() -PFncdf_Trj = (_data_ref / 'Amber/posfor.ncdf').as_posix() +TPR_EXTRA_2024 = ( + _data_ref / "tprs/virtual_sites/extra-interactions-2024.tpr" +).as_posix() +TPR_EXTRA_2023 = ( + _data_ref / "tprs/virtual_sites/extra-interactions-2023.tpr" +).as_posix() +TPR_EXTRA_2022RC1 = ( + _data_ref / "tprs/virtual_sites/extra-interactions-2022-rc1.tpr" +).as_posix() +TPR_EXTRA_2021 = ( + _data_ref / "tprs/virtual_sites/extra-interactions-2021.tpr" +).as_posix() +TPR_EXTRA_2020 = ( + _data_ref / "tprs/virtual_sites/extra-interactions-2020.tpr" +).as_posix() +TPR_EXTRA_2018 = ( + _data_ref / "tprs/virtual_sites/extra-interactions-2018.tpr" +).as_posix() +TPR_EXTRA_2016 = ( + _data_ref / "tprs/virtual_sites/extra-interactions-2016.3.tpr" +).as_posix() +TPR_EXTRA_407 = ( + _data_ref / "tprs/virtual_sites/extra-interactions-4.0.7.tpr" +).as_posix() + +XYZ_psf = (_data_ref / "2r9r-1b.psf").as_posix() +XYZ_bz2 = (_data_ref / "2r9r-1b.xyz.bz2").as_posix() +XYZ = (_data_ref / "2r9r-1b.xyz").as_posix() +XYZ_mini = (_data_ref / "mini.xyz").as_posix() +XYZ_five = (_data_ref / "five.xyz").as_posix() +TXYZ = (_data_ref / "coordinates/test.txyz").as_posix() +ARC = (_data_ref / "coordinates/test.arc").as_posix() +ARC_PBC = (_data_ref / "coordinates/new_hexane.arc").as_posix() + +PRM = (_data_ref / "Amber/ache.prmtop").as_posix() +TRJ = (_data_ref / "Amber/ache.mdcrd").as_posix() +INPCRD = (_data_ref / "Amber/test.inpcrd").as_posix() +TRJ_bz2 = (_data_ref / "Amber/ache.mdcrd.bz2").as_posix() +PFncdf_Top = (_data_ref / "Amber/posfor.top").as_posix() +PFncdf_Trj = (_data_ref / "Amber/posfor.ncdf").as_posix() PRM_chainid_bz2 = (_data_ref / "Amber/ache_chainid.prmtop.bz2").as_posix() -CPPTRAJ_TRAJ_TOP = (_data_ref / 'Amber/cpptraj_traj.prmtop').as_posix() -CPPTRAJ_TRAJ = (_data_ref / 'Amber/cpptraj_traj.nc').as_posix() +CPPTRAJ_TRAJ_TOP = (_data_ref / "Amber/cpptraj_traj.prmtop").as_posix() +CPPTRAJ_TRAJ = (_data_ref / "Amber/cpptraj_traj.nc").as_posix() -PRMpbc = (_data_ref / 'Amber/capped-ala.prmtop').as_posix() -TRJpbc_bz2 = (_data_ref / 'Amber/capped-ala.mdcrd.bz2').as_posix() +PRMpbc = (_data_ref / "Amber/capped-ala.prmtop").as_posix() +TRJpbc_bz2 = (_data_ref / "Amber/capped-ala.mdcrd.bz2").as_posix() -PRMncdf = (_data_ref / 'Amber/bala.prmtop').as_posix() -TRJncdf = (_data_ref / 'Amber/bala.trj').as_posix() -NCDF = (_data_ref / 'Amber/bala.ncdf').as_posix() +PRMncdf = (_data_ref / "Amber/bala.prmtop").as_posix() +TRJncdf = (_data_ref / "Amber/bala.trj").as_posix() +NCDF = (_data_ref / "Amber/bala.ncdf").as_posix() -PRM12 = (_data_ref / 'Amber/anti.top').as_posix() -TRJ12_bz2 = (_data_ref / 'Amber/anti_md1.mdcrd.bz2').as_posix() +PRM12 = (_data_ref / "Amber/anti.top").as_posix() +TRJ12_bz2 = (_data_ref / "Amber/anti_md1.mdcrd.bz2").as_posix() -PRM7 = (_data_ref / 'Amber/tz2.truncoct.parm7.bz2').as_posix() -NCDFtruncoct = (_data_ref / 'Amber/tz2.truncoct.nc').as_posix() +PRM7 = (_data_ref / "Amber/tz2.truncoct.parm7.bz2").as_posix() +NCDFtruncoct = (_data_ref / "Amber/tz2.truncoct.nc").as_posix() -PRMcs = (_data_ref / 'Amber/chitosan.prmtop').as_posix() +PRMcs = (_data_ref / "Amber/chitosan.prmtop").as_posix() -PRMNCRST = (_data_ref / 'Amber/ace_mbondi3.parm7').as_posix() +PRMNCRST = (_data_ref / "Amber/ace_mbondi3.parm7").as_posix() -PRM_NCBOX = (_data_ref / 'Amber/ace_tip3p.parm7').as_posix() -TRJ_NCBOX = (_data_ref / 'Amber/ace_tip3p.nc').as_posix() +PRM_NCBOX = (_data_ref / "Amber/ace_tip3p.parm7").as_posix() +TRJ_NCBOX = (_data_ref / "Amber/ace_tip3p.nc").as_posix() -PRMNEGATIVE = (_data_ref / 'Amber/ace_mbondi3.negative.parm7').as_posix() +PRMNEGATIVE = (_data_ref / "Amber/ace_mbondi3.negative.parm7").as_posix() PRMErr1 = (_data_ref / "Amber/ace_mbondi3.error1.parm7").as_posix() PRMErr2 = (_data_ref / "Amber/ace_mbondi3.error2.parm7").as_posix() @@ -485,37 +625,41 @@ PRMErr4 = (_data_ref / "Amber/ace_mbondi3.error4.parm7").as_posix() PRMErr5 = (_data_ref / "Amber/ache_chainid.error5.prmtop.bz2").as_posix() -PRM_UreyBradley = (_data_ref / 'Amber/parmed_fad.prmtop').as_posix() -PRM7_ala2 = (_data_ref / 'Amber/parmed_ala2_solv.parm7').as_posix() -RST7_ala2 = (_data_ref / 'Amber/parmed_ala2_solv.rst7').as_posix() +PRM_UreyBradley = (_data_ref / "Amber/parmed_fad.prmtop").as_posix() +PRM7_ala2 = (_data_ref / "Amber/parmed_ala2_solv.parm7").as_posix() +RST7_ala2 = (_data_ref / "Amber/parmed_ala2_solv.rst7").as_posix() -PRM19SBOPC = (_data_ref / 'Amber/ala.ff19SB.OPC.parm7.bz2').as_posix() +PRM19SBOPC = (_data_ref / "Amber/ala.ff19SB.OPC.parm7.bz2").as_posix() -PQR = (_data_ref / 'adk_open.pqr').as_posix() -PQR_icodes = (_data_ref / '1A2C.pqr').as_posix() +PQR = (_data_ref / "adk_open.pqr").as_posix() +PQR_icodes = (_data_ref / "1A2C.pqr").as_posix() PDBQT_input = (_data_ref / "pdbqt_inputpdbqt.pdbqt").as_posix() PDBQT_querypdb = (_data_ref / "pdbqt_querypdb.pdb").as_posix() PDBQT_tyrosol = (_data_ref / "tyrosol.pdbqt.bz2").as_posix() -FASTA = (_data_ref / 'test.fasta').as_posix() -HELANAL_BENDING_MATRIX = (_data_ref / 'helanal_bending_matrix_AdK_DIMS_H8.dat').as_posix() -HELANAL_BENDING_MATRIX_SUBSET = (_data_ref / 'helanal_bending_matrix_AdK_DIMS_H8_frames10to79.dat').as_posix() +FASTA = (_data_ref / "test.fasta").as_posix() +HELANAL_BENDING_MATRIX = ( + _data_ref / "helanal_bending_matrix_AdK_DIMS_H8.dat" +).as_posix() +HELANAL_BENDING_MATRIX_SUBSET = ( + _data_ref / "helanal_bending_matrix_AdK_DIMS_H8_frames10to79.dat" +).as_posix() -PDB_HOLE = (_data_ref / '1grm_single.pdb').as_posix() -MULTIPDB_HOLE = (_data_ref / '1grm_elNemo_mode7.pdb.bz2').as_posix() +PDB_HOLE = (_data_ref / "1grm_single.pdb").as_posix() +MULTIPDB_HOLE = (_data_ref / "1grm_elNemo_mode7.pdb.bz2").as_posix() -DMS = (_data_ref / 'adk_closed.dms').as_posix() -DMS_DOMAINS = (_data_ref / 'adk_closed_domains.dms').as_posix() -DMS_NO_SEGID = (_data_ref / 'adk_closed_no_segid.dms').as_posix() +DMS = (_data_ref / "adk_closed.dms").as_posix() +DMS_DOMAINS = (_data_ref / "adk_closed_domains.dms").as_posix() +DMS_NO_SEGID = (_data_ref / "adk_closed_no_segid.dms").as_posix() -CONECT = (_data_ref / '1hvr.pdb').as_posix() -CONECT_ERROR = (_data_ref / 'conect_error.pdb').as_posix() +CONECT = (_data_ref / "1hvr.pdb").as_posix() +CONECT_ERROR = (_data_ref / "conect_error.pdb").as_posix() -TRZ = (_data_ref / 'trzfile.trz').as_posix() -TRZ_psf = (_data_ref / 'trz_psf.psf').as_posix() +TRZ = (_data_ref / "trzfile.trz").as_posix() +TRZ_psf = (_data_ref / "trz_psf.psf").as_posix() -TRIC = (_data_ref / 'dppc_vesicle_hg.gro').as_posix() +TRIC = (_data_ref / "dppc_vesicle_hg.gro").as_posix() PDB_full = (_data_ref / "4E43.pdb").as_posix() @@ -551,7 +695,7 @@ LAMMPScnt2 = (_data_ref / "lammps/cnt-hexagonal-class1.data2").as_posix() LAMMPShyd = (_data_ref / "lammps/hydrogen-class1.data").as_posix() LAMMPShyd2 = (_data_ref / "lammps/hydrogen-class1.data2").as_posix() -LAMMPSdata_deletedatoms = (_data_ref / 'lammps/deletedatoms.data').as_posix() +LAMMPSdata_deletedatoms = (_data_ref / "lammps/deletedatoms.data").as_posix() LAMMPSdata_triclinic = (_data_ref / "lammps/albite_triclinic.data").as_posix() LAMMPSdata_PairIJ = (_data_ref / "lammps/pairij_coeffs.data.bz2").as_posix() LAMMPSDUMP = (_data_ref / "lammps/wat.lammpstrj.bz2").as_posix() @@ -565,14 +709,18 @@ LAMMPSDUMP_chain2 = (_data_ref / "lammps/chain_dump_2.lammpstrj").as_posix() LAMMPS_chain = (_data_ref / "lammps/chain_initial.data").as_posix() LAMMPSdata_many_bonds = (_data_ref / "lammps/a_lot_of_bond_types.data").as_posix() -LAMMPSdata_additional_columns = (_data_ref / "lammps/additional_columns.data").as_posix() -LAMMPSDUMP_additional_columns = (_data_ref / "lammps/additional_columns.lammpstrj").as_posix() +LAMMPSdata_additional_columns = ( + _data_ref / "lammps/additional_columns.data" +).as_posix() +LAMMPSDUMP_additional_columns = ( + _data_ref / "lammps/additional_columns.lammpstrj" +).as_posix() unordered_res = (_data_ref / "unordered_res.pdb").as_posix() -GMS_ASYMOPT = (_data_ref / "gms/c1opt.gms.gz").as_posix() -GMS_SYMOPT = (_data_ref / "gms/symopt.gms").as_posix() -GMS_ASYMSURF = (_data_ref / "gms/surf2wat.gms").as_posix() +GMS_ASYMOPT = (_data_ref / "gms/c1opt.gms.gz").as_posix() +GMS_SYMOPT = (_data_ref / "gms/symopt.gms").as_posix() +GMS_ASYMSURF = (_data_ref / "gms/surf2wat.gms").as_posix() two_water_gro = (_data_ref / "two_water_gro.gro").as_posix() two_water_gro_multiframe = (_data_ref / "two_water_gro_multiframe.gro").as_posix() @@ -588,88 +736,91 @@ DLP_HISTORY_minimal_cell = (_data_ref / "dlpoly/HISTORY_minimal_cell").as_posix() DLP_HISTORY_classic = (_data_ref / "dlpoly/HISTORY_classic").as_posix() -waterPSF = (_data_ref / 'watdyn.psf').as_posix() -waterDCD = (_data_ref / 'watdyn.dcd').as_posix() +waterPSF = (_data_ref / "watdyn.psf").as_posix() +waterDCD = (_data_ref / "watdyn.dcd").as_posix() -rmsfArray = (_data_ref / 'adk_oplsaa_CA_rmsf.npy').as_posix() +rmsfArray = (_data_ref / "adk_oplsaa_CA_rmsf.npy").as_posix() -HoomdXMLdata = (_data_ref / 'C12x64.xml.bz2').as_posix() +HoomdXMLdata = (_data_ref / "C12x64.xml.bz2").as_posix() -Make_Whole = (_data_ref / 'make_whole.gro').as_posix() -fullerene = (_data_ref / 'fullerene.pdb.gz').as_posix() +Make_Whole = (_data_ref / "make_whole.gro").as_posix() +fullerene = (_data_ref / "fullerene.pdb.gz").as_posix() -Plength = (_data_ref / 'plength.gro').as_posix() -Martini_membrane_gro = (_data_ref / 'martini_dppc_chol_bilayer.gro').as_posix() +Plength = (_data_ref / "plength.gro").as_posix() +Martini_membrane_gro = (_data_ref / "martini_dppc_chol_bilayer.gro").as_posix() # Contains one of each residue in 'nucleic' selections -NUCLsel = (_data_ref / 'nucl_res.pdb').as_posix() +NUCLsel = (_data_ref / "nucl_res.pdb").as_posix() -RANDOM_WALK = (_data_ref / 'xyz_random_walk.xtc').as_posix() -RANDOM_WALK_TOPO = (_data_ref / 'RANDOM_WALK_TOPO.pdb').as_posix() +RANDOM_WALK = (_data_ref / "xyz_random_walk.xtc").as_posix() +RANDOM_WALK_TOPO = (_data_ref / "RANDOM_WALK_TOPO.pdb").as_posix() -MMTF = (_data_ref / '173D.mmtf').as_posix() -MMTF_gz = (_data_ref / '5KIH.mmtf.gz').as_posix() -MMTF_skinny = (_data_ref / '1ubq-less-optional.mmtf').as_posix() -MMTF_skinny2 = (_data_ref / '3NJW-onlyrequired.mmtf').as_posix() +MMTF = (_data_ref / "173D.mmtf").as_posix() +MMTF_gz = (_data_ref / "5KIH.mmtf.gz").as_posix() +MMTF_skinny = (_data_ref / "1ubq-less-optional.mmtf").as_posix() +MMTF_skinny2 = (_data_ref / "3NJW-onlyrequired.mmtf").as_posix() MMTF_NOCRYST = (_data_ref / "6QYR.mmtf.gz").as_posix() -ALIGN_BOUND = (_data_ref / 'analysis/align_bound.pdb.gz').as_posix() -ALIGN_UNBOUND = (_data_ref / 'analysis/align_unbound.pdb.gz').as_posix() - -GSD = (_data_ref / 'example.gsd').as_posix() -GSD_bonds = (_data_ref / 'example_bonds.gsd').as_posix() -GSD_long = (_data_ref / 'example_longer.gsd').as_posix() - -TRC_PDB_VAC = (_data_ref / 'gromos11/gromos11_traj_vac.pdb.gz').as_posix() -TRC_TRAJ1_VAC = (_data_ref / 'gromos11/gromos11_traj_vac_1.trc.gz').as_posix() -TRC_TRAJ2_VAC = (_data_ref / 'gromos11/gromos11_traj_vac_2.trc.gz').as_posix() -TRC_PDB_SOLV = (_data_ref / 'gromos11/gromos11_traj_solv.pdb.gz').as_posix() -TRC_TRAJ_SOLV = (_data_ref / 'gromos11/gromos11_traj_solv.trc.gz').as_posix() -TRC_CLUSTER_VAC = (_data_ref / 'gromos11/gromos11_cluster_vac.trj.gz').as_posix() -TRC_TRICLINIC_SOLV = (_data_ref / 'gromos11/gromos11_triclinic_solv.trc.gz').as_posix() -TRC_TRUNCOCT_VAC = (_data_ref / 'gromos11/gromos11_truncOcta_vac.trc.gz').as_posix() -TRC_GENBOX_ORIGIN = (_data_ref / 'gromos11/gromos11_genbox_origin.trc.gz').as_posix() -TRC_GENBOX_EULER = (_data_ref / 'gromos11/gromos11_genbox_euler.trc.gz').as_posix() -TRC_EMPTY = (_data_ref / 'gromos11/gromos11_empty.trc').as_posix() - -DihedralArray = (_data_ref / 'adk_oplsaa_dihedral.npy').as_posix() -DihedralsArray = (_data_ref / 'adk_oplsaa_dihedral_list.npy').as_posix() -RamaArray = (_data_ref / 'adk_oplsaa_rama.npy').as_posix() -GLYRamaArray = (_data_ref / 'adk_oplsaa_GLY_rama.npy').as_posix() -JaninArray = (_data_ref / 'adk_oplsaa_janin.npy').as_posix() -LYSJaninArray = (_data_ref / 'adk_oplsaa_LYS_janin.npy').as_posix() -PDB_rama = (_data_ref / '19hc.pdb.gz').as_posix() -PDB_janin = (_data_ref / '1a28.pdb.gz').as_posix() - -BATArray = (_data_ref / 'mol2_comments_header_bat.npy').as_posix() - -ITP = (_data_ref / 'gromacs_ala10.itp').as_posix() -ITP_nomass = (_data_ref / 'itp_nomass.itp').as_posix() -ITP_atomtypes = (_data_ref / 'atomtypes.itp').as_posix() -ITP_charges = (_data_ref / 'atomtypes_charge.itp').as_posix() -ITP_edited = (_data_ref / 'edited_itp.itp').as_posix() +ALIGN_BOUND = (_data_ref / "analysis/align_bound.pdb.gz").as_posix() +ALIGN_UNBOUND = (_data_ref / "analysis/align_unbound.pdb.gz").as_posix() + +GSD = (_data_ref / "example.gsd").as_posix() +GSD_bonds = (_data_ref / "example_bonds.gsd").as_posix() +GSD_long = (_data_ref / "example_longer.gsd").as_posix() + +TRC_PDB_VAC = (_data_ref / "gromos11/gromos11_traj_vac.pdb.gz").as_posix() +TRC_TRAJ1_VAC = (_data_ref / "gromos11/gromos11_traj_vac_1.trc.gz").as_posix() +TRC_TRAJ2_VAC = (_data_ref / "gromos11/gromos11_traj_vac_2.trc.gz").as_posix() +TRC_PDB_SOLV = (_data_ref / "gromos11/gromos11_traj_solv.pdb.gz").as_posix() +TRC_TRAJ_SOLV = (_data_ref / "gromos11/gromos11_traj_solv.trc.gz").as_posix() +TRC_CLUSTER_VAC = (_data_ref / "gromos11/gromos11_cluster_vac.trj.gz").as_posix() +TRC_TRICLINIC_SOLV = (_data_ref / "gromos11/gromos11_triclinic_solv.trc.gz").as_posix() +TRC_TRUNCOCT_VAC = (_data_ref / "gromos11/gromos11_truncOcta_vac.trc.gz").as_posix() +TRC_GENBOX_ORIGIN = (_data_ref / "gromos11/gromos11_genbox_origin.trc.gz").as_posix() +TRC_GENBOX_EULER = (_data_ref / "gromos11/gromos11_genbox_euler.trc.gz").as_posix() +TRC_EMPTY = (_data_ref / "gromos11/gromos11_empty.trc").as_posix() + +DihedralArray = (_data_ref / "adk_oplsaa_dihedral.npy").as_posix() +DihedralsArray = (_data_ref / "adk_oplsaa_dihedral_list.npy").as_posix() +RamaArray = (_data_ref / "adk_oplsaa_rama.npy").as_posix() +GLYRamaArray = (_data_ref / "adk_oplsaa_GLY_rama.npy").as_posix() +JaninArray = (_data_ref / "adk_oplsaa_janin.npy").as_posix() +LYSJaninArray = (_data_ref / "adk_oplsaa_LYS_janin.npy").as_posix() +PDB_rama = (_data_ref / "19hc.pdb.gz").as_posix() +PDB_janin = (_data_ref / "1a28.pdb.gz").as_posix() + +BATArray = (_data_ref / "mol2_comments_header_bat.npy").as_posix() + +ITP = (_data_ref / "gromacs_ala10.itp").as_posix() +ITP_nomass = (_data_ref / "itp_nomass.itp").as_posix() +ITP_atomtypes = (_data_ref / "atomtypes.itp").as_posix() +ITP_charges = (_data_ref / "atomtypes_charge.itp").as_posix() +ITP_edited = (_data_ref / "edited_itp.itp").as_posix() ITP_tip5p = (_data_ref / "tip5p.itp").as_posix() -ITP_spce = (_data_ref / 'spce.itp').as_posix() +ITP_spce = (_data_ref / "spce.itp").as_posix() -GMX_TOP = (_data_ref / 'gromacs_ala10.top').as_posix() -GMX_DIR = (_data_ref / 'gromacs/').as_posix() -GMX_TOP_BAD = (_data_ref / 'bad_top.top').as_posix() -ITP_no_endif = (_data_ref / 'no_endif_spc.itp').as_posix() +GMX_TOP = (_data_ref / "gromacs_ala10.top").as_posix() +GMX_DIR = (_data_ref / "gromacs/").as_posix() +GMX_TOP_BAD = (_data_ref / "bad_top.top").as_posix() +ITP_no_endif = (_data_ref / "no_endif_spc.itp").as_posix() -NAMDBIN = (_data_ref / 'adk_open.coor').as_posix() +NAMDBIN = (_data_ref / "adk_open.coor").as_posix() -SDF_molecule = (_data_ref / 'molecule.sdf').as_posix() +SDF_molecule = (_data_ref / "molecule.sdf").as_posix() -PDB_elements = (_data_ref / 'elements.pdb').as_posix() -PDB_charges = (_data_ref / 'charges.pdb').as_posix() +PDB_elements = (_data_ref / "elements.pdb").as_posix() +PDB_charges = (_data_ref / "charges.pdb").as_posix() PDBX = (_data_ref / "4x8u.pdbx").as_posix() -SURFACE_PDB = (_data_ref / 'surface.pdb.bz2').as_posix() -SURFACE_TRR = (_data_ref / 'surface.trr').as_posix() +SURFACE_PDB = (_data_ref / "surface.pdb.bz2").as_posix() +SURFACE_TRR = (_data_ref / "surface.trr").as_posix() # DSSP testing: from https://github.com/ShintaroMinami/PyDSSP -DSSP = (_data_ref / 'dssp').as_posix() +DSSP = (_data_ref / "dssp").as_posix() + +# MMCIF testing -- valid structures from RCSB +MMCIF = (_data_ref / "mmcif").as_posix() # This should be the last line: clean up namespace del resources diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py new file mode 100644 index 00000000000..29d44ce7fe5 --- /dev/null +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -0,0 +1,48 @@ +import glob +import os +from io import StringIO + +import MDAnalysis as mda +import numpy as np +import pytest +from numpy.testing import ( + assert_allclose, + assert_almost_equal, + assert_array_almost_equal, + assert_equal, +) + +from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER + +# FIXME: rewrite tests to read trajectories only once + + +@pytest.mark.parametrize( + "mmcif_filename,n_chains", + [ + (f"{MMCIF_FOLDER}/1YJP.cif", 1), + (f"{MMCIF_FOLDER}/1YJP.cif.gz", 1), + (f"{MMCIF_FOLDER}/7ETN.cif", 2), + (f"{MMCIF_FOLDER}/7ETN.cif.gz", 2), + ], +) +def test_chains(mmcif_filename, n_chains): + u = mda.Universe(mmcif_filename) + assert len(u.segments) == n_chains + + +@pytest.mark.parametrize( + "mmcif_filename,sequence", + [ + (f"{MMCIF_FOLDER}/1YJP.cif", ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TRY"]), + ( + f"{MMCIF_FOLDER}/1YJP.cif.gz", + ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TRY"], + ), + (f"{MMCIF_FOLDER}/7ETN.cif", ["PRO", "PHE", "LEU", "ILE"]), + (f"{MMCIF_FOLDER}/7ETN.cif.gz", ["PRO", "PHE", "LEU", "ILE"]), + ], +) +def test_sequence(mmcif_filename, sequence): + u = mda.Universe(mmcif_filename) + assert [res.resname for res in u.residues] == sequence From 27c10d64114591d9a237459a04e2e8e5abd20e2c Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 2 Oct 2024 19:51:52 +0200 Subject: [PATCH 024/133] Update format specifications --- package/MDAnalysis/coordinates/MMCIF.py | 2 +- package/MDAnalysis/topology/MMCIFParser.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index f127c92b0d5..d34b6fb2958 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -45,7 +45,7 @@ class MMCIFReader(base.SingleFrameReaderBase): .. versionadded:: 2.8.0 """ - format = "MMCIF" + format = ["cif", "cif.gz", "mmcif"] units = {"time": None, "length": "Angstrom"} def _read_first_frame(self): diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 757e314ce19..aed69fc5b6f 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -259,7 +259,7 @@ class MMCIFParser(TopologyReaderBase): .. versionadded:: 2.8.0 """ - format = "MMCIF" + format = ["cif", "cif.gz", "mmcif"] def parse(self, **kwargs): """Read the file and return the structure. From 950cfcf51fba10318464f2050c304695ea9211c5 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 2 Oct 2024 19:52:03 +0200 Subject: [PATCH 025/133] Write simple tests --- .../MDAnalysisTests/coordinates/test_mmcif.py | 25 +++++++++++++++---- .../MDAnalysisTests/topology/test_mmcif.py | 9 ++++--- 2 files changed, 26 insertions(+), 8 deletions(-) diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py index ec25cd54de5..b29012c2dd7 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -1,6 +1,4 @@ import glob -import os -from io import StringIO import MDAnalysis as mda import numpy as np @@ -34,11 +32,28 @@ def test_works_without_explicit_format(mmcif_filename): [ (f"{MMCIF_FOLDER}/1YJP.cif", 59, 66), (f"{MMCIF_FOLDER}/1YJP.cif.gz", 59, 66), - (f"{MMCIF_FOLDER}/7ETN.cif", 70, 70), - (f"{MMCIF_FOLDER}/7ETN.cif.gz", 70, 70), + (f"{MMCIF_FOLDER}/7ETN.cif", 150, 150), + (f"{MMCIF_FOLDER}/7ETN.cif.gz", 150, 150), ], ) def test_n_atoms(mmcif_filename, natoms_protein, natoms_total): u = mda.Universe(mmcif_filename) assert len(u.atoms) == natoms_total - assert len(u.select("protein").atoms) == natoms_protein + assert len(u.select_atoms("protein").atoms) == natoms_protein + + +@pytest.mark.parametrize( + "mmcif_filename,cell", + [ + ( + f"{MMCIF_FOLDER}/1YJP.cif.gz", + np.array([21.937, 4.866, 23.477, 90.00, 107.08, 90.00]), + ), + ( + f"{MMCIF_FOLDER}/7ETN.cif.gz", + np.array([5.264, 24.967, 20.736, 90.00, 94.85, 90.00]), + ), + ], +) +def test_cell(mmcif_filename, cell): + assert np.allclose(mda.Universe(mmcif_filename).coord._unitcell, cell) diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 29d44ce7fe5..341b5fe5296 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -34,10 +34,10 @@ def test_chains(mmcif_filename, n_chains): @pytest.mark.parametrize( "mmcif_filename,sequence", [ - (f"{MMCIF_FOLDER}/1YJP.cif", ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TRY"]), + (f"{MMCIF_FOLDER}/1YJP.cif", ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TYR"]), ( f"{MMCIF_FOLDER}/1YJP.cif.gz", - ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TRY"], + ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TYR"], ), (f"{MMCIF_FOLDER}/7ETN.cif", ["PRO", "PHE", "LEU", "ILE"]), (f"{MMCIF_FOLDER}/7ETN.cif.gz", ["PRO", "PHE", "LEU", "ILE"]), @@ -45,4 +45,7 @@ def test_chains(mmcif_filename, n_chains): ) def test_sequence(mmcif_filename, sequence): u = mda.Universe(mmcif_filename) - assert [res.resname for res in u.residues] == sequence + in_structure = [ + str(res.resname) for res in u.select_atoms("protein and chainid A").residues + ] + assert in_structure == sequence, ":".join(in_structure) From ef29338ea7a32e62177e7a825056f63f30ba8fd6 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 24 Oct 2024 19:52:38 +0200 Subject: [PATCH 026/133] update github action with gemmi --- .github/actions/setup-deps/action.yaml | 3 +++ 1 file changed, 3 insertions(+) diff --git a/.github/actions/setup-deps/action.yaml b/.github/actions/setup-deps/action.yaml index cbfd91df7e1..b1a08cda783 100644 --- a/.github/actions/setup-deps/action.yaml +++ b/.github/actions/setup-deps/action.yaml @@ -23,6 +23,8 @@ inputs: default: 'cython' fasteners: default: 'fasteners' + gemmi: + default: 'gemmi' griddataformats: default: 'griddataformats' gsd: @@ -130,6 +132,7 @@ runs: ${{ inputs.dask }} ${{ inputs.distopia }} ${{ inputs.gsd }} + ${{ inputs.gemmi }} ${{ inputs.h5py }} ${{ inputs.hole2 }} ${{ inputs.joblib }} From caca17e1d1dcb08c835dbba495cb5bf0ceac924c Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 24 Oct 2024 20:13:33 +0200 Subject: [PATCH 027/133] fix gemmi import errors --- package/MDAnalysis/coordinates/MMCIF.py | 2 +- package/MDAnalysis/topology/MMCIFParser.py | 6 +++--- testsuite/MDAnalysisTests/coordinates/test_mmcif.py | 7 +++++-- testsuite/MDAnalysisTests/topology/test_mmcif.py | 5 +++-- 4 files changed, 12 insertions(+), 8 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index d34b6fb2958..ee8df98d781 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -15,7 +15,7 @@ logger = logging.getLogger("MDAnalysis.coordinates.MMCIF") -def get_coordinates(model: gemmi.Model) -> np.ndarray: +def get_coordinates(model: 'gemmi.Model') -> np.ndarray: """Get coordinates of all atoms in the `gemmi.Model` object. Parameters diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index aed69fc5b6f..2a0adb71704 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -64,7 +64,7 @@ def _into_idx(arr: list) -> list[int]: return [idx for idx, (_, group) in enumerate(itertools.groupby(arr)) for _ in group] -def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: +def get_Atomattrs(model: 'gemmi.Model') -> tuple[list[AtomAttr], np.ndarray]: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.AtomAttr` from a ``gemmi.Model`` object, and a `residx` index with indices of all atoms in residues. @@ -165,7 +165,7 @@ def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: return attrs, residx -def get_Residueattrs(model: gemmi.Model) -> tuple[list[ResidueAttr], np.ndarray]: +def get_Residueattrs(model: 'gemmi.Model') -> tuple[list[ResidueAttr], np.ndarray]: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.ResidueAttr` from a ``gemmi.Model`` object, and a `segidx` index witn indices of all residues in segments. @@ -214,7 +214,7 @@ def get_Residueattrs(model: gemmi.Model) -> tuple[list[ResidueAttr], np.ndarray] return attrs, segidx -def get_Segmentattrs(model: gemmi.Model) -> SegmentAttr: +def get_Segmentattrs(model: 'gemmi.Model') -> SegmentAttr: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.SegmentAttr` from a ``gemmi.Model`` object. Parameters diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py index b29012c2dd7..10b01f465c3 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -11,22 +11,24 @@ ) from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER - -# FIXME: rewrite tests to read trajectories only once +from MDAnalysis.coordinates.MMCIF import HAS_GEMMI +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize("mmcif_filename", glob.glob(f"{MMCIF_FOLDER}/*.cif*")) def test_works_with_explicit_format(mmcif_filename): u = mda.Universe(mmcif_filename, format="MMCIF") assert u.trajectory.n_atoms > 0 +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize("mmcif_filename", glob.glob(f"{MMCIF_FOLDER}/*.cif*")) def test_works_without_explicit_format(mmcif_filename): u = mda.Universe(mmcif_filename) assert u.trajectory.n_atoms > 0 +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize( "mmcif_filename,natoms_protein,natoms_total", [ @@ -42,6 +44,7 @@ def test_n_atoms(mmcif_filename, natoms_protein, natoms_total): assert len(u.select_atoms("protein").atoms) == natoms_protein +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize( "mmcif_filename,cell", [ diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 341b5fe5296..b4ff08a8a55 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -13,10 +13,10 @@ ) from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER - -# FIXME: rewrite tests to read trajectories only once +from MDAnalysis.coordinates.MMCIF import HAS_GEMMI +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize( "mmcif_filename,n_chains", [ @@ -31,6 +31,7 @@ def test_chains(mmcif_filename, n_chains): assert len(u.segments) == n_chains +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize( "mmcif_filename,sequence", [ From f0e49ccc7abfeab0c7eed577351de7992a92b79d Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 24 Oct 2024 21:25:59 +0200 Subject: [PATCH 028/133] add mmcif testfiles --- testsuite/MDAnalysisTests/data/mmcif/1YJP.cif | 813 +++++++++++ testsuite/MDAnalysisTests/data/mmcif/7ETN.cif | 1251 +++++++++++++++++ 2 files changed, 2064 insertions(+) create mode 100644 testsuite/MDAnalysisTests/data/mmcif/1YJP.cif create mode 100644 testsuite/MDAnalysisTests/data/mmcif/7ETN.cif diff --git a/testsuite/MDAnalysisTests/data/mmcif/1YJP.cif b/testsuite/MDAnalysisTests/data/mmcif/1YJP.cif new file mode 100644 index 00000000000..b0e30c0ddc6 --- /dev/null +++ b/testsuite/MDAnalysisTests/data/mmcif/1YJP.cif @@ -0,0 +1,813 @@ +data_1YJP +# +_entry.id 1YJP +# +_audit.revision_id 1 +_audit.creation_date 2005-01-14 +_audit.update_record 'initial release' +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.387 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 1YJP pdb_00001yjp 10.2210/pdb1yjp/pdb +RCSB RCSB031590 ? ? +WWPDB D_1000031590 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2005-06-14 +2 'Structure model' 1 1 2008-04-30 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2017-10-11 +5 'Structure model' 1 4 2024-02-14 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Refinement description' +4 5 'Structure model' 'Data collection' +5 5 'Structure model' 'Database references' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 4 'Structure model' software +2 5 'Structure model' chem_comp_atom +3 5 'Structure model' chem_comp_bond +4 5 'Structure model' database_2 +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 5 'Structure model' '_database_2.pdbx_DOI' +2 5 'Structure model' '_database_2.pdbx_database_accession' +# +_pdbx_database_status.entry_id 1YJP +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.recvd_initial_deposition_date 2005-01-15 +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry ? +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.status_code_nmr_data ? +# +_pdbx_database_related.db_name PDB +_pdbx_database_related.db_id 1YJO +_pdbx_database_related.details . +_pdbx_database_related.content_type unspecified +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Nelson, R.' 1 +'Sawaya, M.R.' 2 +'Balbirnie, M.' 3 +'Madsen, A.O.' 4 +'Riekel, C.' 5 +'Grothe, R.' 6 +'Eisenberg, D.' 7 +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary 'Structure of the cross-beta spine of amyloid-like fibrils.' Nature 435 773 778 2005 +NATUAS UK 0028-0836 0006 ? 15944695 10.1038/nature03680 +1 'Refinement of Macromolecular Structures by the Maximum-Likelihood Method' 'Acta Crystallogr.,Sect.D' 53 240 255 1997 +ABCRE6 DK 0907-4449 0766 ? ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Nelson, R.' 1 ? +primary 'Sawaya, M.R.' 2 ? +primary 'Balbirnie, M.' 3 ? +primary 'Madsen, A.O.' 4 ? +primary 'Riekel, C.' 5 ? +primary 'Grothe, R.' 6 ? +primary 'Eisenberg, D.' 7 ? +1 'Murshudov, G.N.' 8 ? +1 'Vagin, A.A.' 9 ? +1 'Dodson, E.J.' 10 ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer syn 'Eukaryotic peptide chain release factor GTP-binding subunit' 836.807 1 ? ? 'prion determining domain of Sup35' ? +2 water nat water 18.015 7 ? ? ? ? +# +_entity_name_com.entity_id 1 +_entity_name_com.name +'ERF2, Translation release factor 3, ERF3, ERF-3, Omnipotent suppressor protein 2, G1 to S phase transition protein 1' +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code GNNQQNY +_entity_poly.pdbx_seq_one_letter_code_can GNNQQNY +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.name water +_pdbx_entity_nonpoly.comp_id HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 GLY n +1 2 ASN n +1 3 ASN n +1 4 GLN n +1 5 GLN n +1 6 ASN n +1 7 TYR n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num ? +_pdbx_entity_src_syn.pdbx_end_seq_num ? +_pdbx_entity_src_syn.organism_scientific ? +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id ? +_pdbx_entity_src_syn.details 'This sequence is from the prion determining domain of Saccharomyces cerevisiae Sup35' +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HOH non-polymer . WATER ? 'H2 O' 18.015 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 GLY 1 1 1 GLY GLY A . n +A 1 2 ASN 2 2 2 ASN ASN A . n +A 1 3 ASN 3 3 3 ASN ASN A . n +A 1 4 GLN 4 4 4 GLN GLN A . n +A 1 5 GLN 5 5 5 GLN GLN A . n +A 1 6 ASN 6 6 6 ASN ASN A . n +A 1 7 TYR 7 7 7 TYR TYR A . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 HOH 1 8 8 HOH HOH A . +B 2 HOH 2 9 9 HOH HOH A . +B 2 HOH 3 10 10 HOH HOH A . +B 2 HOH 4 11 11 HOH HOH A . +B 2 HOH 5 12 12 HOH HOH A . +B 2 HOH 6 13 13 HOH HOH A . +B 2 HOH 7 14 14 HOH HOH A . +# +loop_ +_software.name +_software.version +_software.date +_software.type +_software.contact_author +_software.contact_author_email +_software.classification +_software.location +_software.language +_software.citation_id +_software.pdbx_ordinal +REFMAC . ? program 'Murshudov, G.N.' ccp4@dl.ac.uk refinement http://www.ccp4.ac.uk/main.html Fortran ? 1 +DENZO . ? ? ? ? 'data reduction' ? ? ? 2 +SCALEPACK . ? ? ? ? 'data scaling' ? ? ? 3 +# +_cell.entry_id 1YJP +_cell.length_a 21.937 +_cell.length_b 4.866 +_cell.length_c 23.477 +_cell.angle_alpha 90.00 +_cell.angle_beta 107.08 +_cell.angle_gamma 90.00 +_cell.Z_PDB 2 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1YJP +_symmetry.space_group_name_H-M 'P 1 21 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 4 +_symmetry.space_group_name_Hall ? +# +_exptl.method 'X-RAY DIFFRACTION' +_exptl.entry_id 1YJP +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_percent_sol 14.03 +_exptl_crystal.density_Matthews 1.43 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.pH 7 +_exptl_crystal_grow.temp 298 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pdbx_details 'water, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K' +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type MARRESEARCH +_diffrn_detector.pdbx_collection_date 2004-06-12 +_diffrn_detector.details 'Ellipsoidal Mirror' +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.monochromator 'channel-cut Si-111 monochromator' +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.975 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'ESRF BEAMLINE ID13' +_diffrn_source.pdbx_wavelength 0.975 +_diffrn_source.pdbx_wavelength_list 0.975 +_diffrn_source.pdbx_synchrotron_site ESRF +_diffrn_source.pdbx_synchrotron_beamline ID13 +# +_reflns.d_resolution_low 80.00 +_reflns.d_resolution_high 1.80 +_reflns.number_obs 509 +_reflns.percent_possible_obs 89.5 +_reflns.pdbx_Rmerge_I_obs 0.204 +_reflns.pdbx_chi_squared 1.057 +_reflns.entry_id 1YJP +_reflns.observed_criterion_sigma_F 0 +_reflns.observed_criterion_sigma_I 0 +_reflns.number_all 509 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI 3.75 +_reflns.B_iso_Wilson_estimate 45.6 +_reflns.pdbx_redundancy 2.0 +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +# +_reflns_shell.d_res_low 1.94 +_reflns_shell.d_res_high 1.80 +_reflns_shell.number_unique_all 85 +_reflns_shell.percent_possible_all 84.2 +_reflns_shell.Rmerge_I_obs 0.491 +_reflns_shell.pdbx_redundancy ? +_reflns_shell.pdbx_chi_squared 1.092 +_reflns_shell.number_unique_obs ? +_reflns_shell.meanI_over_sigI_obs 1.5 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.percent_possible_obs ? +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.pdbx_diffrn_id ? +_reflns_shell.pdbx_ordinal 1 +# +_refine.entry_id 1YJP +_refine.ls_d_res_high 1.80 +_refine.ls_d_res_low 22.44 +_refine.pdbx_ls_sigma_F 0 +_refine.pdbx_ls_sigma_I 0 +_refine.ls_number_reflns_all 474 +_refine.ls_number_reflns_obs 474 +_refine.ls_number_reflns_R_free 20 +_refine.ls_percent_reflns_obs ? +_refine.ls_R_factor_all 0.18139 +_refine.ls_R_factor_obs 0.18139 +_refine.ls_R_factor_R_work 0.18086 +_refine.ls_R_factor_R_free 0.19014 +_refine.ls_redundancy_reflns_obs ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.pdbx_method_to_determine_struct 'FOURIER SYNTHESIS' +_refine.pdbx_starting_model ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_stereochemistry_target_values 'Engh & Huber' +_refine.solvent_model_details ? +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.pdbx_isotropic_thermal_model ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.details ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_SU_B ? +_refine.overall_SU_ML ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 59 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 7 +_refine_hist.number_atoms_total 66 +_refine_hist.d_res_high 1.80 +_refine_hist.d_res_low 22.44 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.weight +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +r_angle_refined_deg 1.228 ? ? ? 'X-RAY DIFFRACTION' ? +r_bond_refined_d 0.014 ? ? ? 'X-RAY DIFFRACTION' ? +# +_struct.entry_id 1YJP +_struct.title 'Structure of GNNQQNY from yeast prion Sup35' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1YJP +_struct_keywords.pdbx_keywords 'PROTEIN BINDING' +_struct_keywords.text 'beta sheet, steric zipper, glutamine zipper, asparagine zipper, PROTEIN BINDING' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code ERF2_YEAST +_struct_ref.pdbx_db_accession P05453 +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code GNNQQNY +_struct_ref.pdbx_align_begin 7 +_struct_ref.pdbx_db_isoform ? +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1YJP +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 7 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P05453 +_struct_ref_seq.db_align_beg 7 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 13 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 7 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1,2 +_pdbx_struct_assembly_gen.asym_id_list A,B +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +2 'crystal symmetry operation' 2_555 -x,y+1/2,-z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 2.4330000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 +# +_pdbx_database_remark.id 300 +_pdbx_database_remark.text +;BIOMOLECULE: 1 +THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT +WHICH CONSISTS OF 1 CHAIN(S). The second beta strand of +the beta sandwich is generated as described in remark 350. +Beta sheets are generated from unit cell translations +along the unit cell b dimension: x,y+1,z. +; +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ASN N N N N 1 +ASN CA C N S 2 +ASN C C N N 3 +ASN O O N N 4 +ASN CB C N N 5 +ASN CG C N N 6 +ASN OD1 O N N 7 +ASN ND2 N N N 8 +ASN OXT O N N 9 +ASN H H N N 10 +ASN H2 H N N 11 +ASN HA H N N 12 +ASN HB2 H N N 13 +ASN HB3 H N N 14 +ASN HD21 H N N 15 +ASN HD22 H N N 16 +ASN HXT H N N 17 +GLN N N N N 18 +GLN CA C N S 19 +GLN C C N N 20 +GLN O O N N 21 +GLN CB C N N 22 +GLN CG C N N 23 +GLN CD C N N 24 +GLN OE1 O N N 25 +GLN NE2 N N N 26 +GLN OXT O N N 27 +GLN H H N N 28 +GLN H2 H N N 29 +GLN HA H N N 30 +GLN HB2 H N N 31 +GLN HB3 H N N 32 +GLN HG2 H N N 33 +GLN HG3 H N N 34 +GLN HE21 H N N 35 +GLN HE22 H N N 36 +GLN HXT H N N 37 +GLY N N N N 38 +GLY CA C N N 39 +GLY C C N N 40 +GLY O O N N 41 +GLY OXT O N N 42 +GLY H H N N 43 +GLY H2 H N N 44 +GLY HA2 H N N 45 +GLY HA3 H N N 46 +GLY HXT H N N 47 +HOH O O N N 48 +HOH H1 H N N 49 +HOH H2 H N N 50 +TYR N N N N 51 +TYR CA C N S 52 +TYR C C N N 53 +TYR O O N N 54 +TYR CB C N N 55 +TYR CG C Y N 56 +TYR CD1 C Y N 57 +TYR CD2 C Y N 58 +TYR CE1 C Y N 59 +TYR CE2 C Y N 60 +TYR CZ C Y N 61 +TYR OH O N N 62 +TYR OXT O N N 63 +TYR H H N N 64 +TYR H2 H N N 65 +TYR HA H N N 66 +TYR HB2 H N N 67 +TYR HB3 H N N 68 +TYR HD1 H N N 69 +TYR HD2 H N N 70 +TYR HE1 H N N 71 +TYR HE2 H N N 72 +TYR HH H N N 73 +TYR HXT H N N 74 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ASN N CA sing N N 1 +ASN N H sing N N 2 +ASN N H2 sing N N 3 +ASN CA C sing N N 4 +ASN CA CB sing N N 5 +ASN CA HA sing N N 6 +ASN C O doub N N 7 +ASN C OXT sing N N 8 +ASN CB CG sing N N 9 +ASN CB HB2 sing N N 10 +ASN CB HB3 sing N N 11 +ASN CG OD1 doub N N 12 +ASN CG ND2 sing N N 13 +ASN ND2 HD21 sing N N 14 +ASN ND2 HD22 sing N N 15 +ASN OXT HXT sing N N 16 +GLN N CA sing N N 17 +GLN N H sing N N 18 +GLN N H2 sing N N 19 +GLN CA C sing N N 20 +GLN CA CB sing N N 21 +GLN CA HA sing N N 22 +GLN C O doub N N 23 +GLN C OXT sing N N 24 +GLN CB CG sing N N 25 +GLN CB HB2 sing N N 26 +GLN CB HB3 sing N N 27 +GLN CG CD sing N N 28 +GLN CG HG2 sing N N 29 +GLN CG HG3 sing N N 30 +GLN CD OE1 doub N N 31 +GLN CD NE2 sing N N 32 +GLN NE2 HE21 sing N N 33 +GLN NE2 HE22 sing N N 34 +GLN OXT HXT sing N N 35 +GLY N CA sing N N 36 +GLY N H sing N N 37 +GLY N H2 sing N N 38 +GLY CA C sing N N 39 +GLY CA HA2 sing N N 40 +GLY CA HA3 sing N N 41 +GLY C O doub N N 42 +GLY C OXT sing N N 43 +GLY OXT HXT sing N N 44 +HOH O H1 sing N N 45 +HOH O H2 sing N N 46 +TYR N CA sing N N 47 +TYR N H sing N N 48 +TYR N H2 sing N N 49 +TYR CA C sing N N 50 +TYR CA CB sing N N 51 +TYR CA HA sing N N 52 +TYR C O doub N N 53 +TYR C OXT sing N N 54 +TYR CB CG sing N N 55 +TYR CB HB2 sing N N 56 +TYR CB HB3 sing N N 57 +TYR CG CD1 doub Y N 58 +TYR CG CD2 sing Y N 59 +TYR CD1 CE1 sing Y N 60 +TYR CD1 HD1 sing N N 61 +TYR CD2 CE2 doub Y N 62 +TYR CD2 HD2 sing N N 63 +TYR CE1 CZ doub Y N 64 +TYR CE1 HE1 sing N N 65 +TYR CE2 CZ sing Y N 66 +TYR CE2 HE2 sing N N 67 +TYR CZ OH sing N N 68 +TYR OH HH sing N N 69 +TYR OXT HXT sing N N 70 +# +_atom_sites.entry_id 1YJP +_atom_sites.fract_transf_matrix[1][1] 0.045585 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.014006 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.205508 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.044560 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +N +O +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . GLY A 1 1 ? -9.009 4.612 6.102 1.00 16.77 ? 1 GLY A N 1 +ATOM 2 C CA . GLY A 1 1 ? -9.052 4.207 4.651 1.00 16.57 ? 1 GLY A CA 1 +ATOM 3 C C . GLY A 1 1 ? -8.015 3.140 4.419 1.00 16.16 ? 1 GLY A C 1 +ATOM 4 O O . GLY A 1 1 ? -7.523 2.521 5.381 1.00 16.78 ? 1 GLY A O 1 +ATOM 5 N N . ASN A 1 2 ? -7.656 2.923 3.155 1.00 15.02 ? 2 ASN A N 1 +ATOM 6 C CA . ASN A 1 2 ? -6.522 2.038 2.831 1.00 14.10 ? 2 ASN A CA 1 +ATOM 7 C C . ASN A 1 2 ? -5.241 2.537 3.427 1.00 13.13 ? 2 ASN A C 1 +ATOM 8 O O . ASN A 1 2 ? -4.978 3.742 3.426 1.00 11.91 ? 2 ASN A O 1 +ATOM 9 C CB . ASN A 1 2 ? -6.346 1.881 1.341 1.00 15.38 ? 2 ASN A CB 1 +ATOM 10 C CG . ASN A 1 2 ? -7.584 1.342 0.692 1.00 14.08 ? 2 ASN A CG 1 +ATOM 11 O OD1 . ASN A 1 2 ? -8.025 0.227 1.016 1.00 17.46 ? 2 ASN A OD1 1 +ATOM 12 N ND2 . ASN A 1 2 ? -8.204 2.155 -0.169 1.00 11.72 ? 2 ASN A ND2 1 +ATOM 13 N N . ASN A 1 3 ? -4.438 1.590 3.905 1.00 12.26 ? 3 ASN A N 1 +ATOM 14 C CA . ASN A 1 3 ? -3.193 1.904 4.589 1.00 11.74 ? 3 ASN A CA 1 +ATOM 15 C C . ASN A 1 3 ? -1.955 1.332 3.895 1.00 11.10 ? 3 ASN A C 1 +ATOM 16 O O . ASN A 1 3 ? -1.872 0.119 3.648 1.00 10.42 ? 3 ASN A O 1 +ATOM 17 C CB . ASN A 1 3 ? -3.259 1.378 6.042 1.00 12.15 ? 3 ASN A CB 1 +ATOM 18 C CG . ASN A 1 3 ? -2.006 1.739 6.861 1.00 12.82 ? 3 ASN A CG 1 +ATOM 19 O OD1 . ASN A 1 3 ? -1.702 2.925 7.072 1.00 15.05 ? 3 ASN A OD1 1 +ATOM 20 N ND2 . ASN A 1 3 ? -1.271 0.715 7.306 1.00 13.48 ? 3 ASN A ND2 1 +ATOM 21 N N . GLN A 1 4 ? -1.005 2.228 3.598 1.00 10.29 ? 4 GLN A N 1 +ATOM 22 C CA . GLN A 1 4 ? 0.384 1.888 3.199 1.00 10.53 ? 4 GLN A CA 1 +ATOM 23 C C . GLN A 1 4 ? 1.435 2.606 4.088 1.00 10.24 ? 4 GLN A C 1 +ATOM 24 O O . GLN A 1 4 ? 1.547 3.843 4.115 1.00 8.86 ? 4 GLN A O 1 +ATOM 25 C CB . GLN A 1 4 ? 0.656 2.148 1.711 1.00 9.80 ? 4 GLN A CB 1 +ATOM 26 C CG . GLN A 1 4 ? 1.944 1.458 1.213 1.00 10.25 ? 4 GLN A CG 1 +ATOM 27 C CD . GLN A 1 4 ? 2.504 2.044 -0.089 1.00 12.43 ? 4 GLN A CD 1 +ATOM 28 O OE1 . GLN A 1 4 ? 2.744 3.268 -0.190 1.00 14.62 ? 4 GLN A OE1 1 +ATOM 29 N NE2 . GLN A 1 4 ? 2.750 1.161 -1.091 1.00 9.05 ? 4 GLN A NE2 1 +ATOM 30 N N . GLN A 1 5 ? 2.154 1.821 4.871 1.00 10.38 ? 5 GLN A N 1 +ATOM 31 C CA . GLN A 1 5 ? 3.270 2.361 5.640 1.00 11.39 ? 5 GLN A CA 1 +ATOM 32 C C . GLN A 1 5 ? 4.594 1.768 5.172 1.00 11.52 ? 5 GLN A C 1 +ATOM 33 O O . GLN A 1 5 ? 4.768 0.546 5.054 1.00 12.05 ? 5 GLN A O 1 +ATOM 34 C CB . GLN A 1 5 ? 3.056 2.183 7.147 1.00 11.96 ? 5 GLN A CB 1 +ATOM 35 C CG . GLN A 1 5 ? 1.829 2.950 7.647 1.00 10.81 ? 5 GLN A CG 1 +ATOM 36 C CD . GLN A 1 5 ? 1.344 2.414 8.954 1.00 13.10 ? 5 GLN A CD 1 +ATOM 37 O OE1 . GLN A 1 5 ? 0.774 1.325 9.002 1.00 10.65 ? 5 GLN A OE1 1 +ATOM 38 N NE2 . GLN A 1 5 ? 1.549 3.187 10.039 1.00 12.30 ? 5 GLN A NE2 1 +ATOM 39 N N . ASN A 1 6 ? 5.514 2.664 4.856 1.00 11.99 ? 6 ASN A N 1 +ATOM 40 C CA . ASN A 1 6 ? 6.831 2.310 4.318 1.00 12.30 ? 6 ASN A CA 1 +ATOM 41 C C . ASN A 1 6 ? 7.854 2.761 5.324 1.00 13.40 ? 6 ASN A C 1 +ATOM 42 O O . ASN A 1 6 ? 8.219 3.943 5.374 1.00 13.92 ? 6 ASN A O 1 +ATOM 43 C CB . ASN A 1 6 ? 7.065 3.016 2.993 1.00 12.13 ? 6 ASN A CB 1 +ATOM 44 C CG . ASN A 1 6 ? 5.961 2.735 2.003 1.00 12.77 ? 6 ASN A CG 1 +ATOM 45 O OD1 . ASN A 1 6 ? 5.798 1.604 1.551 1.00 14.27 ? 6 ASN A OD1 1 +ATOM 46 N ND2 . ASN A 1 6 ? 5.195 3.747 1.679 1.00 10.07 ? 6 ASN A ND2 1 +ATOM 47 N N . TYR A 1 7 ? 8.292 1.817 6.147 1.00 14.70 ? 7 TYR A N 1 +ATOM 48 C CA . TYR A 1 7 ? 9.159 2.144 7.299 1.00 15.18 ? 7 TYR A CA 1 +ATOM 49 C C . TYR A 1 7 ? 10.603 2.331 6.885 1.00 15.91 ? 7 TYR A C 1 +ATOM 50 O O . TYR A 1 7 ? 11.041 1.811 5.855 1.00 15.76 ? 7 TYR A O 1 +ATOM 51 C CB . TYR A 1 7 ? 9.061 1.065 8.369 1.00 15.35 ? 7 TYR A CB 1 +ATOM 52 C CG . TYR A 1 7 ? 7.665 0.929 8.902 1.00 14.45 ? 7 TYR A CG 1 +ATOM 53 C CD1 . TYR A 1 7 ? 6.771 0.021 8.327 1.00 15.68 ? 7 TYR A CD1 1 +ATOM 54 C CD2 . TYR A 1 7 ? 7.210 1.756 9.920 1.00 14.80 ? 7 TYR A CD2 1 +ATOM 55 C CE1 . TYR A 1 7 ? 5.480 -0.094 8.796 1.00 13.46 ? 7 TYR A CE1 1 +ATOM 56 C CE2 . TYR A 1 7 ? 5.904 1.649 10.416 1.00 14.33 ? 7 TYR A CE2 1 +ATOM 57 C CZ . TYR A 1 7 ? 5.047 0.729 9.831 1.00 15.09 ? 7 TYR A CZ 1 +ATOM 58 O OH . TYR A 1 7 ? 3.766 0.589 10.291 1.00 14.39 ? 7 TYR A OH 1 +ATOM 59 O OXT . TYR A 1 7 ? 11.358 2.999 7.612 1.00 17.49 ? 7 TYR A OXT 1 +HETATM 60 O O . HOH B 2 . ? -6.471 5.227 7.124 1.00 22.62 ? 8 HOH A O 1 +HETATM 61 O O . HOH B 2 . ? 10.431 1.858 3.216 1.00 19.71 ? 9 HOH A O 1 +HETATM 62 O O . HOH B 2 . ? -11.286 1.756 -1.468 1.00 17.08 ? 10 HOH A O 1 +HETATM 63 O O . HOH B 2 . ? 11.808 4.179 9.970 1.00 23.99 ? 11 HOH A O 1 +HETATM 64 O O . HOH B 2 . ? 13.605 1.327 9.198 1.00 26.17 ? 12 HOH A O 1 +HETATM 65 O O . HOH B 2 . ? -2.749 3.429 10.024 1.00 39.15 ? 13 HOH A O 1 +HETATM 66 O O . HOH B 2 . ? -1.500 0.682 10.967 1.00 43.49 ? 14 HOH A O 1 +# diff --git a/testsuite/MDAnalysisTests/data/mmcif/7ETN.cif b/testsuite/MDAnalysisTests/data/mmcif/7ETN.cif new file mode 100644 index 00000000000..944c4838572 --- /dev/null +++ b/testsuite/MDAnalysisTests/data/mmcif/7ETN.cif @@ -0,0 +1,1251 @@ +data_7ETN +# +_entry.id 7ETN +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.392 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 7ETN pdb_00007etn 10.2210/pdb7etn/pdb +WWPDB D_1300022157 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2022-05-25 +2 'Structure model' 1 1 2024-05-29 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +_pdbx_audit_revision_group.ordinal 1 +_pdbx_audit_revision_group.revision_ordinal 2 +_pdbx_audit_revision_group.data_content_type 'Structure model' +_pdbx_audit_revision_group.group 'Data collection' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 2 'Structure model' chem_comp_atom +2 2 'Structure model' chem_comp_bond +# +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 7ETN +_pdbx_database_status.recvd_initial_deposition_date 2021-05-13 +_pdbx_database_status.SG_entry N +_pdbx_database_status.deposit_site PDBJ +_pdbx_database_status.process_site PDBJ +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.status_code_nmr_data ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible Y +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Kurumida, Y.' 1 0000-0003-2696-154X +'Ikeda, K.' 2 0000-0003-3217-5713 +'Nakamichi, Y.' 3 0000-0001-7089-663X +'Hirano, A.' 4 0000-0002-4138-0308 +'Kobayashi, K.' 5 0000-0002-2662-2452 +'Saito, Y.' 6 0000-0002-4853-0153 +'Kameda, T.' 7 0000-0001-9508-5366 +# +_citation.abstract ? +_citation.abstract_id_CAS ? +_citation.book_id_ISBN ? +_citation.book_publisher ? +_citation.book_publisher_city ? +_citation.book_title ? +_citation.coordinate_linkage ? +_citation.country ? +_citation.database_id_Medline ? +_citation.details ? +_citation.id primary +_citation.journal_abbrev 'To Be Published' +_citation.journal_id_ASTM ? +_citation.journal_id_CSD 0353 +_citation.journal_id_ISSN ? +_citation.journal_full ? +_citation.journal_issue ? +_citation.journal_volume ? +_citation.language ? +_citation.page_first ? +_citation.page_last ? +_citation.title 'Crystal structure of Pro-Phe-Leu-Ile' +_citation.year ? +_citation.database_id_CSD ? +_citation.pdbx_database_id_DOI ? +_citation.pdbx_database_id_PubMed ? +_citation.pdbx_database_id_patent ? +_citation.unpublished_flag ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Kurumida, Y.' 1 0000-0003-2696-154X +primary 'Ikeda, K.' 2 0000-0003-3217-5713 +primary 'Nakamichi, Y.' 3 0000-0001-7089-663X +primary 'Hirano, A.' 4 0000-0002-4138-0308 +primary 'Kobayashi, K.' 5 0000-0002-2662-2452 +primary 'Saito, Y.' 6 0000-0002-4853-0153 +primary 'Kameda, T.' 7 0000-0001-9508-5366 +# +_entity.id 1 +_entity.type polymer +_entity.src_method syn +_entity.pdbx_description PRO-PHE-LEU-ILE +_entity.formula_weight 488.619 +_entity.pdbx_number_of_molecules 2 +_entity.pdbx_ec ? +_entity.pdbx_mutation ? +_entity.pdbx_fragment ? +_entity.details ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code PFLI +_entity_poly.pdbx_seq_one_letter_code_can PFLI +_entity_poly.pdbx_strand_id A,B +_entity_poly.pdbx_target_identifier ? +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 PRO n +1 2 PHE n +1 3 LEU n +1 4 ILE n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num 1 +_pdbx_entity_src_syn.pdbx_end_seq_num 4 +_pdbx_entity_src_syn.organism_scientific 'synthetic construct' +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id 32630 +_pdbx_entity_src_syn.details ? +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 PRO 1 1 1 PRO PRO A . n +A 1 2 PHE 2 2 2 PHE PHE A . n +A 1 3 LEU 3 3 3 LEU LEU A . n +A 1 4 ILE 4 4 4 ILE ILE A . n +B 1 1 PRO 1 1 1 PRO PRO B . n +B 1 2 PHE 2 2 2 PHE PHE B . n +B 1 3 LEU 3 3 3 LEU LEU B . n +B 1 4 ILE 4 4 4 ILE ILE B . n +# +loop_ +_software.citation_id +_software.classification +_software.compiler_name +_software.compiler_version +_software.contact_author +_software.contact_author_email +_software.date +_software.description +_software.dependencies +_software.hardware +_software.language +_software.location +_software.mods +_software.name +_software.os +_software.os_version +_software.type +_software.version +_software.pdbx_ordinal +? refinement ? ? ? ? ? ? ? ? ? ? ? SHELX ? ? ? . 1 +? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 +? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? . 3 +? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.27 4 +? phasing ? ? ? ? ? ? ? ? ? ? ? SHELXT ? ? ? . 5 +# +_cell.angle_alpha 90.000 +_cell.angle_alpha_esd ? +_cell.angle_beta 94.850 +_cell.angle_beta_esd ? +_cell.angle_gamma 90.000 +_cell.angle_gamma_esd ? +_cell.entry_id 7ETN +_cell.details ? +_cell.formula_units_Z ? +_cell.length_a 5.264 +_cell.length_a_esd ? +_cell.length_b 24.967 +_cell.length_b_esd ? +_cell.length_c 20.736 +_cell.length_c_esd ? +_cell.volume ? +_cell.volume_esd ? +_cell.Z_PDB 4 +_cell.reciprocal_angle_alpha ? +_cell.reciprocal_angle_beta ? +_cell.reciprocal_angle_gamma ? +_cell.reciprocal_angle_alpha_esd ? +_cell.reciprocal_angle_beta_esd ? +_cell.reciprocal_angle_gamma_esd ? +_cell.reciprocal_length_a ? +_cell.reciprocal_length_b ? +_cell.reciprocal_length_c ? +_cell.reciprocal_length_a_esd ? +_cell.reciprocal_length_b_esd ? +_cell.reciprocal_length_c_esd ? +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 7ETN +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 4 +_symmetry.space_group_name_Hall ? +_symmetry.space_group_name_H-M 'P 1 21 1' +_symmetry.pdbx_full_space_group_name_H-M ? +# +_exptl.absorpt_coefficient_mu ? +_exptl.absorpt_correction_T_max ? +_exptl.absorpt_correction_T_min ? +_exptl.absorpt_correction_type ? +_exptl.absorpt_process_details ? +_exptl.entry_id 7ETN +_exptl.crystals_number 1 +_exptl.details ? +_exptl.method 'X-RAY DIFFRACTION' +_exptl.method_details ? +# +_exptl_crystal.colour ? +_exptl_crystal.density_diffrn ? +_exptl_crystal.density_Matthews ? +_exptl_crystal.density_method ? +_exptl_crystal.density_percent_sol ? +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.id 1 +_exptl_crystal.preparation ? +_exptl_crystal.size_max ? +_exptl_crystal.size_mid ? +_exptl_crystal.size_min ? +_exptl_crystal.size_rad ? +_exptl_crystal.colour_lustre ? +_exptl_crystal.colour_modifier ? +_exptl_crystal.colour_primary ? +_exptl_crystal.density_meas ? +_exptl_crystal.density_meas_esd ? +_exptl_crystal.density_meas_gt ? +_exptl_crystal.density_meas_lt ? +_exptl_crystal.density_meas_temp ? +_exptl_crystal.density_meas_temp_esd ? +_exptl_crystal.density_meas_temp_gt ? +_exptl_crystal.density_meas_temp_lt ? +_exptl_crystal.pdbx_crystal_image_url ? +_exptl_crystal.pdbx_crystal_image_format ? +_exptl_crystal.pdbx_mosaicity ? +_exptl_crystal.pdbx_mosaicity_esd ? +# +_exptl_crystal_grow.apparatus ? +_exptl_crystal_grow.atmosphere ? +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.details ? +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.method_ref ? +_exptl_crystal_grow.pH 7.0 +_exptl_crystal_grow.pressure ? +_exptl_crystal_grow.pressure_esd ? +_exptl_crystal_grow.seeding ? +_exptl_crystal_grow.seeding_ref ? +_exptl_crystal_grow.temp 293 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.temp_esd ? +_exptl_crystal_grow.time ? +_exptl_crystal_grow.pdbx_details '100 mM MOPS, 5 mM EDTA-2Na' +_exptl_crystal_grow.pdbx_pH_range ? +# +_diffrn.ambient_environment ? +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.ambient_temp_esd ? +_diffrn.crystal_id 1 +_diffrn.crystal_support ? +_diffrn.crystal_treatment ? +_diffrn.details ? +_diffrn.id 1 +_diffrn.ambient_pressure ? +_diffrn.ambient_pressure_esd ? +_diffrn.ambient_pressure_gt ? +_diffrn.ambient_pressure_lt ? +_diffrn.ambient_temp_gt ? +_diffrn.ambient_temp_lt ? +_diffrn.pdbx_serial_crystal_experiment N +# +_diffrn_detector.details ? +_diffrn_detector.detector PIXEL +_diffrn_detector.diffrn_id 1 +_diffrn_detector.type 'DECTRIS EIGER X 16M' +_diffrn_detector.area_resol_mean ? +_diffrn_detector.dtime ? +_diffrn_detector.pdbx_frames_total ? +_diffrn_detector.pdbx_collection_time_total ? +_diffrn_detector.pdbx_collection_date 2020-02-17 +_diffrn_detector.pdbx_frequency ? +# +_diffrn_radiation.collimation ? +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.filter_edge ? +_diffrn_radiation.inhomogeneity ? +_diffrn_radiation.monochromator ? +_diffrn_radiation.polarisn_norm ? +_diffrn_radiation.polarisn_ratio ? +_diffrn_radiation.probe ? +_diffrn_radiation.type ? +_diffrn_radiation.xray_symbol ? +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_wavelength_list ? +_diffrn_radiation.pdbx_wavelength ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_analyzer ? +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.7 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.current ? +_diffrn_source.details ? +_diffrn_source.diffrn_id 1 +_diffrn_source.power ? +_diffrn_source.size ? +_diffrn_source.source SYNCHROTRON +_diffrn_source.target ? +_diffrn_source.type 'SPRING-8 BEAMLINE BL44XU' +_diffrn_source.voltage ? +_diffrn_source.take-off_angle ? +_diffrn_source.pdbx_wavelength_list 0.7 +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_synchrotron_beamline BL44XU +_diffrn_source.pdbx_synchrotron_site SPring-8 +# +_reflns.B_iso_Wilson_estimate 6.112 +_reflns.entry_id 7ETN +_reflns.data_reduction_details ? +_reflns.data_reduction_method ? +_reflns.d_resolution_high 0.820 +_reflns.d_resolution_low 20.55 +_reflns.details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.number_all ? +_reflns.number_obs 9768 +_reflns.observed_criterion ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.observed_criterion_I_max ? +_reflns.observed_criterion_I_min ? +_reflns.observed_criterion_sigma_F ? +_reflns.observed_criterion_sigma_I ? +_reflns.percent_possible_obs 95.500 +_reflns.R_free_details ? +_reflns.Rmerge_F_all ? +_reflns.Rmerge_F_obs ? +_reflns.Friedel_coverage ? +_reflns.number_gt ? +_reflns.threshold_expression ? +_reflns.pdbx_redundancy 2.795 +_reflns.pdbx_Rmerge_I_obs 0.081 +_reflns.pdbx_Rmerge_I_all ? +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_av_sigmaI ? +_reflns.pdbx_netI_over_sigmaI 12.020 +_reflns.pdbx_res_netI_over_av_sigmaI_2 ? +_reflns.pdbx_res_netI_over_sigmaI_2 ? +_reflns.pdbx_chi_squared 0.865 +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_d_res_high_opt ? +_reflns.pdbx_d_res_low_opt ? +_reflns.pdbx_d_res_opt_method ? +_reflns.phase_calculation_details ? +_reflns.pdbx_Rrim_I_all 0.101 +_reflns.pdbx_Rpim_I_all ? +_reflns.pdbx_d_opt ? +_reflns.pdbx_number_measured_all ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.pdbx_CC_half 0.990 +_reflns.pdbx_CC_star ? +_reflns.pdbx_R_split ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_1 ? +_reflns.pdbx_aniso_diffraction_limit_2 ? +_reflns.pdbx_aniso_diffraction_limit_3 ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_1 ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_2 ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_3 ? +_reflns.pdbx_orthogonalization_convention ? +_reflns.pdbx_percent_possible_ellipsoidal ? +_reflns.pdbx_percent_possible_spherical ? +_reflns.pdbx_percent_possible_ellipsoidal_anomalous ? +_reflns.pdbx_percent_possible_spherical_anomalous ? +_reflns.pdbx_redundancy_anomalous ? +_reflns.pdbx_CC_half_anomalous ? +_reflns.pdbx_absDiff_over_sigma_anomalous ? +_reflns.pdbx_percent_possible_anomalous ? +_reflns.pdbx_observed_signal_threshold ? +_reflns.pdbx_signal_type ? +_reflns.pdbx_signal_details ? +_reflns.pdbx_signal_software_id ? +# +loop_ +_reflns_shell.d_res_high +_reflns_shell.d_res_low +_reflns_shell.meanI_over_sigI_all +_reflns_shell.meanI_over_sigI_obs +_reflns_shell.number_measured_all +_reflns_shell.number_measured_obs +_reflns_shell.number_possible +_reflns_shell.number_unique_all +_reflns_shell.number_unique_obs +_reflns_shell.percent_possible_all +_reflns_shell.percent_possible_obs +_reflns_shell.Rmerge_F_all +_reflns_shell.Rmerge_F_obs +_reflns_shell.Rmerge_I_all +_reflns_shell.Rmerge_I_obs +_reflns_shell.meanI_over_sigI_gt +_reflns_shell.meanI_over_uI_all +_reflns_shell.meanI_over_uI_gt +_reflns_shell.number_measured_gt +_reflns_shell.number_unique_gt +_reflns_shell.percent_possible_gt +_reflns_shell.Rmerge_F_gt +_reflns_shell.Rmerge_I_gt +_reflns_shell.pdbx_redundancy +_reflns_shell.pdbx_Rsym_value +_reflns_shell.pdbx_chi_squared +_reflns_shell.pdbx_netI_over_sigmaI_all +_reflns_shell.pdbx_netI_over_sigmaI_obs +_reflns_shell.pdbx_Rrim_I_all +_reflns_shell.pdbx_Rpim_I_all +_reflns_shell.pdbx_rejects +_reflns_shell.pdbx_ordinal +_reflns_shell.pdbx_diffrn_id +_reflns_shell.pdbx_CC_half +_reflns_shell.pdbx_CC_star +_reflns_shell.pdbx_R_split +_reflns_shell.pdbx_percent_possible_ellipsoidal +_reflns_shell.pdbx_percent_possible_spherical +_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous +_reflns_shell.pdbx_percent_possible_spherical_anomalous +_reflns_shell.pdbx_redundancy_anomalous +_reflns_shell.pdbx_CC_half_anomalous +_reflns_shell.pdbx_absDiff_over_sigma_anomalous +_reflns_shell.pdbx_percent_possible_anomalous +0.820 0.840 ? 4.470 ? ? ? ? 702 91.200 ? ? ? ? 0.346 ? ? ? ? ? ? ? ? 2.771 ? ? ? ? 0.428 ? ? 1 1 0.861 ? ? ? ? ? ? ? ? ? ? +0.840 0.860 ? 4.830 ? ? ? ? 699 90.400 ? ? ? ? 0.311 ? ? ? ? ? ? ? ? 2.645 ? ? ? ? 0.385 ? ? 2 1 0.879 ? ? ? ? ? ? ? ? ? ? +0.860 0.890 ? 6.220 ? ? ? ? 637 89.700 ? ? ? ? 0.220 ? ? ? ? ? ? ? ? 2.625 ? ? ? ? 0.274 ? ? 3 1 0.929 ? ? ? ? ? ? ? ? ? ? +0.890 0.920 ? 6.830 ? ? ? ? 636 95.900 ? ? ? ? 0.196 ? ? ? ? ? ? ? ? 2.714 ? ? ? ? 0.240 ? ? 4 1 0.949 ? ? ? ? ? ? ? ? ? ? +0.920 0.950 ? 8.570 ? ? ? ? 631 96.300 ? ? ? ? 0.164 ? ? ? ? ? ? ? ? 2.894 ? ? ? ? 0.202 ? ? 5 1 0.945 ? ? ? ? ? ? ? ? ? ? +0.950 0.980 ? 9.520 ? ? ? ? 647 96.600 ? ? ? ? 0.142 ? ? ? ? ? ? ? ? 2.847 ? ? ? ? 0.174 ? ? 6 1 0.962 ? ? ? ? ? ? ? ? ? ? +0.980 1.020 ? 10.870 ? ? ? ? 591 93.200 ? ? ? ? 0.126 ? ? ? ? ? ? ? ? 2.897 ? ? ? ? 0.154 ? ? 7 1 0.969 ? ? ? ? ? ? ? ? ? ? +1.020 1.060 ? 12.320 ? ? ? ? 584 93.400 ? ? ? ? 0.122 ? ? ? ? ? ? ? ? 2.788 ? ? ? ? 0.150 ? ? 8 1 0.966 ? ? ? ? ? ? ? ? ? ? +1.060 1.110 ? 13.730 ? ? ? ? 537 97.600 ? ? ? ? 0.112 ? ? ? ? ? ? ? ? 2.834 ? ? ? ? 0.138 ? ? 9 1 0.970 ? ? ? ? ? ? ? ? ? ? +1.110 1.160 ? 14.490 ? ? ? ? 532 97.300 ? ? ? ? 0.102 ? ? ? ? ? ? ? ? 2.586 ? ? ? ? 0.127 ? ? 10 1 0.972 ? ? ? ? ? ? ? ? ? ? +1.160 1.220 ? 14.630 ? ? ? ? 530 97.800 ? ? ? ? 0.093 ? ? ? ? ? ? ? ? 2.649 ? ? ? ? 0.116 ? ? 11 1 0.974 ? ? ? ? ? ? ? ? ? ? +1.220 1.300 ? 15.250 ? ? ? ? 522 96.700 ? ? ? ? 0.098 ? ? ? ? ? ? ? ? 2.943 ? ? ? ? 0.119 ? ? 12 1 0.977 ? ? ? ? ? ? ? ? ? ? +1.300 1.390 ? 15.890 ? ? ? ? 429 98.800 ? ? ? ? 0.080 ? ? ? ? ? ? ? ? 3.009 ? ? ? ? 0.099 ? ? 13 1 0.985 ? ? ? ? ? ? ? ? ? ? +1.390 1.500 ? 16.950 ? ? ? ? 415 99.300 ? ? ? ? 0.086 ? ? ? ? ? ? ? ? 2.995 ? ? ? ? 0.107 ? ? 14 1 0.966 ? ? ? ? ? ? ? ? ? ? +1.500 1.640 ? 17.860 ? ? ? ? 412 99.300 ? ? ? ? 0.077 ? ? ? ? ? ? ? ? 2.888 ? ? ? ? 0.096 ? ? 15 1 0.975 ? ? ? ? ? ? ? ? ? ? +1.640 1.830 ? 18.390 ? ? ? ? 372 98.700 ? ? ? ? 0.065 ? ? ? ? ? ? ? ? 2.780 ? ? ? ? 0.080 ? ? 16 1 0.987 ? ? ? ? ? ? ? ? ? ? +1.830 2.120 ? 18.910 ? ? ? ? 289 98.600 ? ? ? ? 0.062 ? ? ? ? ? ? ? ? 2.682 ? ? ? ? 0.078 ? ? 17 1 0.989 ? ? ? ? ? ? ? ? ? ? +2.120 2.590 ? 20.510 ? ? ? ? 297 99.700 ? ? ? ? 0.057 ? ? ? ? ? ? ? ? 2.747 ? ? ? ? 0.072 ? ? 18 1 0.992 ? ? ? ? ? ? ? ? ? ? +2.590 3.670 ? 22.830 ? ? ? ? 190 99.000 ? ? ? ? 0.049 ? ? ? ? ? ? ? ? 3.079 ? ? ? ? 0.060 ? ? 19 1 0.993 ? ? ? ? ? ? ? ? ? ? +3.670 20.55 ? 22.750 ? ? ? ? 116 99.100 ? ? ? ? 0.066 ? ? ? ? ? ? ? ? 2.836 ? ? ? ? 0.084 ? ? 20 1 0.983 ? ? ? ? ? ? ? ? ? ? +# +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.B_iso_max 9.850 +_refine.B_iso_mean 4.8465 +_refine.B_iso_min 2.950 +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.details ? +_refine.diff_density_max ? +_refine.diff_density_max_esd ? +_refine.diff_density_min ? +_refine.diff_density_min_esd ? +_refine.diff_density_rms ? +_refine.diff_density_rms_esd ? +_refine.entry_id 7ETN +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.ls_abs_structure_details ? +_refine.ls_abs_structure_Flack ? +_refine.ls_abs_structure_Flack_esd ? +_refine.ls_abs_structure_Rogers ? +_refine.ls_abs_structure_Rogers_esd ? +_refine.ls_d_res_high 0.82 +_refine.ls_d_res_low 20.55 +_refine.ls_extinction_coef ? +_refine.ls_extinction_coef_esd ? +_refine.ls_extinction_expression ? +_refine.ls_extinction_method ? +_refine.ls_goodness_of_fit_all ? +_refine.ls_goodness_of_fit_all_esd ? +_refine.ls_goodness_of_fit_obs ? +_refine.ls_goodness_of_fit_obs_esd ? +_refine.ls_hydrogen_treatment ? +_refine.ls_matrix_type ? +_refine.ls_number_constraints ? +_refine.ls_number_parameters ? +_refine.ls_number_reflns_all ? +_refine.ls_number_reflns_obs 9285 +_refine.ls_number_reflns_R_free 483 +_refine.ls_number_reflns_R_work ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_obs 96.0 +_refine.ls_percent_reflns_R_free ? +_refine.ls_R_factor_all ? +_refine.ls_R_factor_obs ? +_refine.ls_R_factor_R_free 0.0873 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_R_factor_R_work 0.0692 +_refine.ls_R_Fsqd_factor_obs ? +_refine.ls_R_I_factor_obs ? +_refine.ls_redundancy_reflns_all ? +_refine.ls_redundancy_reflns_obs ? +_refine.ls_restrained_S_all ? +_refine.ls_restrained_S_obs ? +_refine.ls_shift_over_esd_max ? +_refine.ls_shift_over_esd_mean ? +_refine.ls_structure_factor_coef ? +_refine.ls_weighting_details ? +_refine.ls_weighting_scheme ? +_refine.ls_wR_factor_all ? +_refine.ls_wR_factor_obs ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.solvent_model_details ? +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.pdbx_R_complete ? +_refine.ls_R_factor_gt ? +_refine.ls_goodness_of_fit_gt ? +_refine.ls_goodness_of_fit_ref ? +_refine.ls_shift_over_su_max ? +_refine.ls_shift_over_su_max_lt ? +_refine.ls_shift_over_su_mean ? +_refine.ls_shift_over_su_mean_lt ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F ? +_refine.pdbx_ls_sigma_Fsqd ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' +_refine.pdbx_method_to_determine_struct 'AB INITIO PHASING' +_refine.pdbx_starting_model ? +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.pdbx_real_space_R ? +_refine.pdbx_density_correlation ? +_refine.pdbx_pd_number_of_powder_patterns ? +_refine.pdbx_pd_number_of_points ? +_refine.pdbx_pd_meas_number_of_points ? +_refine.pdbx_pd_proc_ls_prof_R_factor ? +_refine.pdbx_pd_proc_ls_prof_wR_factor ? +_refine.pdbx_pd_Marquardt_correlation_coeff ? +_refine.pdbx_pd_Fsqrd_R_factor ? +_refine.pdbx_pd_ls_matrix_band_width ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_diffrn_id 1 +_refine.overall_SU_B ? +_refine.overall_SU_ML ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_average_fsc_overall ? +_refine.pdbx_average_fsc_work ? +_refine.pdbx_average_fsc_free ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.details ? +_refine_hist.d_res_high 0.82 +_refine_hist.d_res_low 20.55 +_refine_hist.number_atoms_solvent 0 +_refine_hist.number_atoms_total 70 +_refine_hist.number_reflns_all ? +_refine_hist.number_reflns_obs ? +_refine_hist.number_reflns_R_free ? +_refine_hist.number_reflns_R_work ? +_refine_hist.R_factor_all ? +_refine_hist.R_factor_obs ? +_refine_hist.R_factor_R_free ? +_refine_hist.R_factor_R_work ? +_refine_hist.pdbx_number_residues_total ? +_refine_hist.pdbx_B_iso_mean_ligand ? +_refine_hist.pdbx_B_iso_mean_solvent ? +_refine_hist.pdbx_number_atoms_protein 70 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.pdbx_number_atoms_lipid ? +_refine_hist.pdbx_number_atoms_carb ? +_refine_hist.pdbx_pseudo_atom_details ? +# +_struct.entry_id 7ETN +_struct.title 'Crystal structure of Pro-Phe-Leu-Ile' +_struct.pdbx_model_details ? +_struct.pdbx_formula_weight ? +_struct.pdbx_formula_weight_method ? +_struct.pdbx_model_type_details ? +_struct.pdbx_CASP_flag N +# +_struct_keywords.entry_id 7ETN +_struct_keywords.text 'Synthetic peptide, UNKNOWN FUNCTION' +_struct_keywords.pdbx_keywords 'UNKNOWN FUNCTION' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 1 ? +# +_struct_ref.id 1 +_struct_ref.db_name PDB +_struct_ref.db_code 7ETN +_struct_ref.pdbx_db_accession 7ETN +_struct_ref.pdbx_db_isoform ? +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code ? +_struct_ref.pdbx_align_begin 1 +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 7ETN A 1 ? 4 ? 7ETN 1 ? 4 ? 1 4 +2 1 7ETN B 1 ? 4 ? 7ETN 1 ? 4 ? 1 4 +# +loop_ +_pdbx_struct_assembly.id +_pdbx_struct_assembly.details +_pdbx_struct_assembly.method_details +_pdbx_struct_assembly.oligomeric_details +_pdbx_struct_assembly.oligomeric_count +1 author_defined_assembly ? monomeric 1 +2 author_defined_assembly ? monomeric 1 +# +loop_ +_pdbx_struct_assembly_gen.assembly_id +_pdbx_struct_assembly_gen.oper_expression +_pdbx_struct_assembly_gen.asym_id_list +1 1 A +2 1 B +# +_pdbx_struct_assembly_auth_evidence.id 1 +_pdbx_struct_assembly_auth_evidence.assembly_id 1 +_pdbx_struct_assembly_auth_evidence.experimental_support none +_pdbx_struct_assembly_auth_evidence.details ? +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ILE N N N N 1 +ILE CA C N S 2 +ILE C C N N 3 +ILE O O N N 4 +ILE CB C N S 5 +ILE CG1 C N N 6 +ILE CG2 C N N 7 +ILE CD1 C N N 8 +ILE OXT O N N 9 +ILE H H N N 10 +ILE H2 H N N 11 +ILE HA H N N 12 +ILE HB H N N 13 +ILE HG12 H N N 14 +ILE HG13 H N N 15 +ILE HG21 H N N 16 +ILE HG22 H N N 17 +ILE HG23 H N N 18 +ILE HD11 H N N 19 +ILE HD12 H N N 20 +ILE HD13 H N N 21 +ILE HXT H N N 22 +LEU N N N N 23 +LEU CA C N S 24 +LEU C C N N 25 +LEU O O N N 26 +LEU CB C N N 27 +LEU CG C N N 28 +LEU CD1 C N N 29 +LEU CD2 C N N 30 +LEU OXT O N N 31 +LEU H H N N 32 +LEU H2 H N N 33 +LEU HA H N N 34 +LEU HB2 H N N 35 +LEU HB3 H N N 36 +LEU HG H N N 37 +LEU HD11 H N N 38 +LEU HD12 H N N 39 +LEU HD13 H N N 40 +LEU HD21 H N N 41 +LEU HD22 H N N 42 +LEU HD23 H N N 43 +LEU HXT H N N 44 +PHE N N N N 45 +PHE CA C N S 46 +PHE C C N N 47 +PHE O O N N 48 +PHE CB C N N 49 +PHE CG C Y N 50 +PHE CD1 C Y N 51 +PHE CD2 C Y N 52 +PHE CE1 C Y N 53 +PHE CE2 C Y N 54 +PHE CZ C Y N 55 +PHE OXT O N N 56 +PHE H H N N 57 +PHE H2 H N N 58 +PHE HA H N N 59 +PHE HB2 H N N 60 +PHE HB3 H N N 61 +PHE HD1 H N N 62 +PHE HD2 H N N 63 +PHE HE1 H N N 64 +PHE HE2 H N N 65 +PHE HZ H N N 66 +PHE HXT H N N 67 +PRO N N N N 68 +PRO CA C N S 69 +PRO C C N N 70 +PRO O O N N 71 +PRO CB C N N 72 +PRO CG C N N 73 +PRO CD C N N 74 +PRO OXT O N N 75 +PRO H H N N 76 +PRO HA H N N 77 +PRO HB2 H N N 78 +PRO HB3 H N N 79 +PRO HG2 H N N 80 +PRO HG3 H N N 81 +PRO HD2 H N N 82 +PRO HD3 H N N 83 +PRO HXT H N N 84 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ILE N CA sing N N 1 +ILE N H sing N N 2 +ILE N H2 sing N N 3 +ILE CA C sing N N 4 +ILE CA CB sing N N 5 +ILE CA HA sing N N 6 +ILE C O doub N N 7 +ILE C OXT sing N N 8 +ILE CB CG1 sing N N 9 +ILE CB CG2 sing N N 10 +ILE CB HB sing N N 11 +ILE CG1 CD1 sing N N 12 +ILE CG1 HG12 sing N N 13 +ILE CG1 HG13 sing N N 14 +ILE CG2 HG21 sing N N 15 +ILE CG2 HG22 sing N N 16 +ILE CG2 HG23 sing N N 17 +ILE CD1 HD11 sing N N 18 +ILE CD1 HD12 sing N N 19 +ILE CD1 HD13 sing N N 20 +ILE OXT HXT sing N N 21 +LEU N CA sing N N 22 +LEU N H sing N N 23 +LEU N H2 sing N N 24 +LEU CA C sing N N 25 +LEU CA CB sing N N 26 +LEU CA HA sing N N 27 +LEU C O doub N N 28 +LEU C OXT sing N N 29 +LEU CB CG sing N N 30 +LEU CB HB2 sing N N 31 +LEU CB HB3 sing N N 32 +LEU CG CD1 sing N N 33 +LEU CG CD2 sing N N 34 +LEU CG HG sing N N 35 +LEU CD1 HD11 sing N N 36 +LEU CD1 HD12 sing N N 37 +LEU CD1 HD13 sing N N 38 +LEU CD2 HD21 sing N N 39 +LEU CD2 HD22 sing N N 40 +LEU CD2 HD23 sing N N 41 +LEU OXT HXT sing N N 42 +PHE N CA sing N N 43 +PHE N H sing N N 44 +PHE N H2 sing N N 45 +PHE CA C sing N N 46 +PHE CA CB sing N N 47 +PHE CA HA sing N N 48 +PHE C O doub N N 49 +PHE C OXT sing N N 50 +PHE CB CG sing N N 51 +PHE CB HB2 sing N N 52 +PHE CB HB3 sing N N 53 +PHE CG CD1 doub Y N 54 +PHE CG CD2 sing Y N 55 +PHE CD1 CE1 sing Y N 56 +PHE CD1 HD1 sing N N 57 +PHE CD2 CE2 doub Y N 58 +PHE CD2 HD2 sing N N 59 +PHE CE1 CZ doub Y N 60 +PHE CE1 HE1 sing N N 61 +PHE CE2 CZ sing Y N 62 +PHE CE2 HE2 sing N N 63 +PHE CZ HZ sing N N 64 +PHE OXT HXT sing N N 65 +PRO N CA sing N N 66 +PRO N CD sing N N 67 +PRO N H sing N N 68 +PRO CA C sing N N 69 +PRO CA CB sing N N 70 +PRO CA HA sing N N 71 +PRO C O doub N N 72 +PRO C OXT sing N N 73 +PRO CB CG sing N N 74 +PRO CB HB2 sing N N 75 +PRO CB HB3 sing N N 76 +PRO CG CD sing N N 77 +PRO CG HG2 sing N N 78 +PRO CG HG3 sing N N 79 +PRO CD HD2 sing N N 80 +PRO CD HD3 sing N N 81 +PRO OXT HXT sing N N 82 +# +_atom_sites.entry_id 7ETN +_atom_sites.Cartn_transf_matrix[1][1] ? +_atom_sites.Cartn_transf_matrix[1][2] ? +_atom_sites.Cartn_transf_matrix[1][3] ? +_atom_sites.Cartn_transf_matrix[2][1] ? +_atom_sites.Cartn_transf_matrix[2][2] ? +_atom_sites.Cartn_transf_matrix[2][3] ? +_atom_sites.Cartn_transf_matrix[3][1] ? +_atom_sites.Cartn_transf_matrix[3][2] ? +_atom_sites.Cartn_transf_matrix[3][3] ? +_atom_sites.Cartn_transf_vector[1] ? +_atom_sites.Cartn_transf_vector[2] ? +_atom_sites.Cartn_transf_vector[3] ? +_atom_sites.fract_transf_matrix[1][1] 0.189970 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.016119 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.040053 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.048399 +_atom_sites.fract_transf_vector[1] 0.000000 +_atom_sites.fract_transf_vector[2] 0.000000 +_atom_sites.fract_transf_vector[3] 0.000000 +_atom_sites.solution_primary ? +_atom_sites.solution_secondary ? +_atom_sites.solution_hydrogens ? +_atom_sites.special_details ? +# +loop_ +_atom_type.symbol +C +H +N +O +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . PRO A 1 1 ? 2.263 3.421 12.086 1.00 3.24 ? 1 PRO A N 1 +ATOM 2 C CA . PRO A 1 1 ? 2.768 4.596 11.318 1.00 3.25 ? 1 PRO A CA 1 +ATOM 3 C C . PRO A 1 1 ? 1.656 5.634 11.180 1.00 3.38 ? 1 PRO A C 1 +ATOM 4 O O . PRO A 1 1 ? 0.486 5.366 11.445 1.00 4.36 ? 1 PRO A O 1 +ATOM 5 C CB . PRO A 1 1 ? 3.198 4.020 9.966 1.00 3.76 ? 1 PRO A CB 1 +ATOM 6 C CG . PRO A 1 1 ? 3.584 2.584 10.304 1.00 3.71 ? 1 PRO A CG 1 +ATOM 7 C CD . PRO A 1 1 ? 2.514 2.172 11.283 1.00 3.95 ? 1 PRO A CD 1 +ATOM 8 H H2 . PRO A 1 1 ? 1.392 3.512 12.241 1.00 3.89 ? 1 PRO A H2 1 +ATOM 9 H H3 . PRO A 1 1 ? 2.683 3.368 12.869 1.00 3.89 ? 1 PRO A H3 1 +ATOM 10 H HA . PRO A 1 1 ? 3.540 4.990 11.776 1.00 3.90 ? 1 PRO A HA 1 +ATOM 11 H HB2 . PRO A 1 1 ? 2.467 4.044 9.328 1.00 4.52 ? 1 PRO A HB2 1 +ATOM 12 H HB3 . PRO A 1 1 ? 3.952 4.509 9.603 1.00 4.52 ? 1 PRO A HB3 1 +ATOM 13 H HG2 . PRO A 1 1 ? 3.572 2.022 9.513 1.00 4.46 ? 1 PRO A HG2 1 +ATOM 14 H HG3 . PRO A 1 1 ? 4.465 2.544 10.708 1.00 4.46 ? 1 PRO A HG3 1 +ATOM 15 H HD2 . PRO A 1 1 ? 1.710 1.889 10.820 1.00 4.74 ? 1 PRO A HD2 1 +ATOM 16 H HD3 . PRO A 1 1 ? 2.823 1.449 11.851 1.00 4.74 ? 1 PRO A HD3 1 +ATOM 17 N N . PHE A 1 2 ? 2.024 6.832 10.677 1.00 3.27 ? 2 PHE A N 1 +ATOM 18 C CA . PHE A 1 2 ? 0.997 7.762 10.219 1.00 3.34 ? 2 PHE A CA 1 +ATOM 19 C C . PHE A 1 2 ? 0.196 7.205 9.048 1.00 3.14 ? 2 PHE A C 1 +ATOM 20 O O . PHE A 1 2 ? -1.036 7.320 9.010 1.00 3.49 ? 2 PHE A O 1 +ATOM 21 C CB . PHE A 1 2 ? 1.641 9.127 9.888 1.00 3.81 ? 2 PHE A CB 1 +ATOM 22 C CG . PHE A 1 2 ? 0.650 10.129 9.333 1.00 3.64 ? 2 PHE A CG 1 +ATOM 23 C CD1 . PHE A 1 2 ? -0.279 10.766 10.177 1.00 3.85 ? 2 PHE A CD1 1 +ATOM 24 C CD2 . PHE A 1 2 ? 0.609 10.419 7.968 1.00 4.35 ? 2 PHE A CD2 1 +ATOM 25 C CE1 . PHE A 1 2 ? -1.208 11.660 9.659 1.00 4.03 ? 2 PHE A CE1 1 +ATOM 26 C CE2 . PHE A 1 2 ? -0.322 11.324 7.449 1.00 4.71 ? 2 PHE A CE2 1 +ATOM 27 C CZ . PHE A 1 2 ? -1.245 11.942 8.300 1.00 4.31 ? 2 PHE A CZ 1 +ATOM 28 H H . PHE A 1 2 ? 2.856 7.045 10.628 1.00 3.92 ? 2 PHE A H 1 +ATOM 29 H HA . PHE A 1 2 ? 0.373 7.902 10.962 1.00 4.00 ? 2 PHE A HA 1 +ATOM 30 H HB2 . PHE A 1 2 ? 2.040 9.491 10.694 1.00 4.57 ? 2 PHE A HB2 1 +ATOM 31 H HB3 . PHE A 1 2 ? 2.350 8.993 9.240 1.00 4.57 ? 2 PHE A HB3 1 +ATOM 32 H HD1 . PHE A 1 2 ? -0.271 10.587 11.090 1.00 4.62 ? 2 PHE A HD1 1 +ATOM 33 H HD2 . PHE A 1 2 ? 1.210 10.002 7.394 1.00 5.22 ? 2 PHE A HD2 1 +ATOM 34 H HE1 . PHE A 1 2 ? -1.814 12.074 10.230 1.00 4.83 ? 2 PHE A HE1 1 +ATOM 35 H HE2 . PHE A 1 2 ? -0.328 11.515 6.539 1.00 5.66 ? 2 PHE A HE2 1 +ATOM 36 H HZ . PHE A 1 2 ? -1.875 12.535 7.960 1.00 5.18 ? 2 PHE A HZ 1 +ATOM 37 N N . LEU A 1 3 ? 0.874 6.589 8.064 1.00 3.41 ? 3 LEU A N 1 +ATOM 38 C CA . LEU A 1 3 ? 0.168 5.898 6.984 1.00 3.60 ? 3 LEU A CA 1 +ATOM 39 C C . LEU A 1 3 ? 1.055 4.744 6.488 1.00 3.47 ? 3 LEU A C 1 +ATOM 40 O O . LEU A 1 3 ? 2.285 4.750 6.676 1.00 3.72 ? 3 LEU A O 1 +ATOM 41 C CB . LEU A 1 3 ? -0.257 6.837 5.824 1.00 4.05 ? 3 LEU A CB 1 +ATOM 42 C CG . LEU A 1 3 ? 0.846 7.520 5.010 1.00 4.83 ? 3 LEU A CG 1 +ATOM 43 C CD1 . LEU A 1 3 ? 1.475 6.588 3.975 1.00 5.29 ? 3 LEU A CD1 1 +ATOM 44 C CD2 . LEU A 1 3 ? 0.298 8.755 4.319 1.00 6.57 ? 3 LEU A CD2 1 +ATOM 45 H H . LEU A 1 3 ? 1.734 6.601 8.069 1.00 4.09 ? 3 LEU A H 1 +ATOM 46 H HA . LEU A 1 3 ? -0.646 5.506 7.363 1.00 4.32 ? 3 LEU A HA 1 +ATOM 47 H HB2 . LEU A 1 3 ? -0.803 6.322 5.210 1.00 4.86 ? 3 LEU A HB2 1 +ATOM 48 H HB3 . LEU A 1 3 ? -0.823 7.531 6.197 1.00 4.86 ? 3 LEU A HB3 1 +ATOM 49 H HG . LEU A 1 3 ? 1.550 7.805 5.630 1.00 5.80 ? 3 LEU A HG 1 +ATOM 50 H HD11 . LEU A 1 3 ? 1.937 5.876 4.424 1.00 7.93 ? 3 LEU A HD11 1 +ATOM 51 H HD12 . LEU A 1 3 ? 2.095 7.082 3.434 1.00 7.93 ? 3 LEU A HD12 1 +ATOM 52 H HD13 . LEU A 1 3 ? 0.786 6.220 3.416 1.00 7.93 ? 3 LEU A HD13 1 +ATOM 53 H HD21 . LEU A 1 3 ? -0.001 9.385 4.979 1.00 9.85 ? 3 LEU A HD21 1 +ATOM 54 H HD22 . LEU A 1 3 ? -0.439 8.506 3.757 1.00 9.85 ? 3 LEU A HD22 1 +ATOM 55 H HD23 . LEU A 1 3 ? 0.988 9.155 3.784 1.00 9.85 ? 3 LEU A HD23 1 +ATOM 56 N N . ILE A 1 4 ? 0.379 3.780 5.862 1.00 3.53 ? 4 ILE A N 1 +ATOM 57 C CA . ILE A 1 4 ? 0.996 2.768 4.989 1.00 3.42 ? 4 ILE A CA 1 +ATOM 58 C C . ILE A 1 4 ? 0.175 2.736 3.692 1.00 3.28 ? 4 ILE A C 1 +ATOM 59 O O . ILE A 1 4 ? 0.723 2.471 2.600 1.00 3.62 ? 4 ILE A O 1 +ATOM 60 C CB . ILE A 1 4 ? 1.063 1.368 5.663 1.00 3.79 ? 4 ILE A CB 1 +ATOM 61 C CG1 . ILE A 1 4 ? 1.662 1.421 7.059 1.00 4.33 ? 4 ILE A CG1 1 +ATOM 62 C CG2 . ILE A 1 4 ? 1.839 0.397 4.758 1.00 4.58 ? 4 ILE A CG2 1 +ATOM 63 C CD1 . ILE A 1 4 ? 1.604 0.099 7.814 1.00 5.48 ? 4 ILE A CD1 1 +ATOM 64 O OXT . ILE A 1 4 ? -1.067 2.955 3.832 1.00 4.27 ? 4 ILE A OXT 1 +ATOM 65 H H . ILE A 1 4 ? -0.473 3.747 5.975 1.00 4.24 ? 4 ILE A H 1 +ATOM 66 H HA . ILE A 1 4 ? 1.908 3.055 4.774 1.00 4.10 ? 4 ILE A HA 1 +ATOM 67 H HB . ILE A 1 4 ? 0.146 1.032 5.744 1.00 4.55 ? 4 ILE A HB 1 +ATOM 68 H HG12 . ILE A 1 4 ? 2.588 1.700 6.990 1.00 5.19 ? 4 ILE A HG12 1 +ATOM 69 H HG13 . ILE A 1 4 ? 1.190 2.094 7.574 1.00 5.19 ? 4 ILE A HG13 1 +ATOM 70 H HG21 . ILE A 1 4 ? 1.425 0.368 3.892 1.00 6.87 ? 4 ILE A HG21 1 +ATOM 71 H HG22 . ILE A 1 4 ? 1.828 -0.480 5.147 1.00 6.87 ? 4 ILE A HG22 1 +ATOM 72 H HG23 . ILE A 1 4 ? 2.746 0.698 4.670 1.00 6.87 ? 4 ILE A HG23 1 +ATOM 73 H HD11 . ILE A 1 4 ? 1.915 0.230 8.713 1.00 8.23 ? 4 ILE A HD11 1 +ATOM 74 H HD12 . ILE A 1 4 ? 2.162 -0.546 7.373 1.00 8.23 ? 4 ILE A HD12 1 +ATOM 75 H HD13 . ILE A 1 4 ? 0.699 -0.220 7.833 1.00 8.23 ? 4 ILE A HD13 1 +ATOM 76 N N . PRO B 1 1 ? 3.067 3.241 1.445 1.00 3.36 ? 1 PRO B N 1 +ATOM 77 C CA . PRO B 1 1 ? 3.628 4.468 0.782 1.00 3.20 ? 1 PRO B CA 1 +ATOM 78 C C . PRO B 1 1 ? 2.545 5.540 0.751 1.00 3.17 ? 1 PRO B C 1 +ATOM 79 O O . PRO B 1 1 ? 1.358 5.252 0.861 1.00 3.75 ? 1 PRO B O 1 +ATOM 80 C CB . PRO B 1 1 ? 4.005 4.028 -0.635 1.00 3.64 ? 1 PRO B CB 1 +ATOM 81 C CG . PRO B 1 1 ? 4.291 2.530 -0.474 1.00 3.80 ? 1 PRO B CG 1 +ATOM 82 C CD . PRO B 1 1 ? 3.202 2.099 0.487 1.00 3.91 ? 1 PRO B CD 1 +ATOM 83 H H2 . PRO B 1 1 ? 3.514 3.066 2.194 1.00 4.03 ? 1 PRO B H2 1 +ATOM 84 H H3 . PRO B 1 1 ? 2.211 3.369 1.651 1.00 4.03 ? 1 PRO B H3 1 +ATOM 85 H HA . PRO B 1 1 ? 4.418 4.790 1.265 1.00 3.85 ? 1 PRO B HA 1 +ATOM 86 H HB2 . PRO B 1 1 ? 3.273 4.180 -1.254 1.00 4.37 ? 1 PRO B HB2 1 +ATOM 87 H HB3 . PRO B 1 1 ? 4.790 4.502 -0.951 1.00 4.37 ? 1 PRO B HB3 1 +ATOM 88 H HG2 . PRO B 1 1 ? 4.218 2.064 -1.322 1.00 4.56 ? 1 PRO B HG2 1 +ATOM 89 H HG3 . PRO B 1 1 ? 5.173 2.378 -0.100 1.00 4.56 ? 1 PRO B HG3 1 +ATOM 90 H HD2 . PRO B 1 1 ? 2.368 1.944 0.017 1.00 4.69 ? 1 PRO B HD2 1 +ATOM 91 H HD3 . PRO B 1 1 ? 3.455 1.287 0.953 1.00 4.69 ? 1 PRO B HD3 1 +ATOM 92 N N . PHE B 1 2 ? 2.961 6.812 0.548 1.00 3.26 ? 2 PHE B N 1 +ATOM 93 C CA . PHE B 1 2 ? 1.940 7.825 0.248 1.00 3.07 ? 2 PHE B CA 1 +ATOM 94 C C . PHE B 1 2 ? 1.201 7.506 -1.064 1.00 2.95 ? 2 PHE B C 1 +ATOM 95 O O . PHE B 1 2 ? -0.034 7.564 -1.125 1.00 3.35 ? 2 PHE B O 1 +ATOM 96 C CB . PHE B 1 2 ? 2.602 9.219 0.215 1.00 3.55 ? 2 PHE B CB 1 +ATOM 97 C CG . PHE B 1 2 ? 1.618 10.276 -0.225 1.00 3.35 ? 2 PHE B CG 1 +ATOM 98 C CD1 . PHE B 1 2 ? 0.661 10.791 0.659 1.00 3.64 ? 2 PHE B CD1 1 +ATOM 99 C CD2 . PHE B 1 2 ? 1.587 10.693 -1.570 1.00 3.73 ? 2 PHE B CD2 1 +ATOM 100 C CE1 . PHE B 1 2 ? -0.311 11.680 0.210 1.00 3.67 ? 2 PHE B CE1 1 +ATOM 101 C CE2 . PHE B 1 2 ? 0.624 11.576 -2.020 1.00 3.98 ? 2 PHE B CE2 1 +ATOM 102 C CZ . PHE B 1 2 ? -0.347 12.063 -1.134 1.00 3.89 ? 2 PHE B CZ 1 +ATOM 103 H H . PHE B 1 2 ? 3.794 7.021 0.593 1.00 3.91 ? 2 PHE B H 1 +ATOM 104 H HA . PHE B 1 2 ? 1.283 7.818 0.975 1.00 3.69 ? 2 PHE B HA 1 +ATOM 105 H HB2 . PHE B 1 2 ? 2.937 9.438 1.099 1.00 4.26 ? 2 PHE B HB2 1 +ATOM 106 H HB3 . PHE B 1 2 ? 3.355 9.204 -0.396 1.00 4.26 ? 2 PHE B HB3 1 +ATOM 107 H HD1 . PHE B 1 2 ? 0.676 10.537 1.553 1.00 4.37 ? 2 PHE B HD1 1 +ATOM 108 H HD2 . PHE B 1 2 ? 2.225 10.369 -2.165 1.00 4.47 ? 2 PHE B HD2 1 +ATOM 109 H HE1 . PHE B 1 2 ? -0.938 12.020 0.806 1.00 4.40 ? 2 PHE B HE1 1 +ATOM 110 H HE2 . PHE B 1 2 ? 0.620 11.847 -2.909 1.00 4.78 ? 2 PHE B HE2 1 +ATOM 111 H HZ . PHE B 1 2 ? -1.012 12.638 -1.438 1.00 4.67 ? 2 PHE B HZ 1 +ATOM 112 N N . LEU B 1 3 ? 1.989 7.190 -2.102 1.00 3.24 ? 3 LEU B N 1 +ATOM 113 C CA . LEU B 1 3 ? 1.492 6.878 -3.438 1.00 3.42 ? 3 LEU B CA 1 +ATOM 114 C C . LEU B 1 3 ? 2.271 5.651 -3.931 1.00 3.35 ? 3 LEU B C 1 +ATOM 115 O O . LEU B 1 3 ? 3.502 5.608 -3.818 1.00 3.82 ? 3 LEU B O 1 +ATOM 116 C CB . LEU B 1 3 ? 1.705 8.077 -4.385 1.00 4.12 ? 3 LEU B CB 1 +ATOM 117 C CG . LEU B 1 3 ? 1.416 7.857 -5.867 1.00 4.61 ? 3 LEU B CG 1 +ATOM 118 C CD1 . LEU B 1 3 ? -0.011 7.487 -6.144 1.00 5.83 ? 3 LEU B CD1 1 +ATOM 119 C CD2 . LEU B 1 3 ? 1.781 9.134 -6.646 1.00 5.56 ? 3 LEU B CD2 1 +ATOM 120 H H . LEU B 1 3 ? 2.839 7.169 -1.973 1.00 3.89 ? 3 LEU B H 1 +ATOM 121 H HA . LEU B 1 3 ? 0.537 6.664 -3.390 1.00 4.11 ? 3 LEU B HA 1 +ATOM 122 H HB2 . LEU B 1 3 ? 1.145 8.807 -4.076 1.00 4.94 ? 3 LEU B HB2 1 +ATOM 123 H HB3 . LEU B 1 3 ? 2.627 8.366 -4.299 1.00 4.94 ? 3 LEU B HB3 1 +ATOM 124 H HG . LEU B 1 3 ? 1.990 7.129 -6.186 1.00 5.53 ? 3 LEU B HG 1 +ATOM 125 H HD11 . LEU B 1 3 ? -0.140 7.393 -7.091 1.00 8.74 ? 3 LEU B HD11 1 +ATOM 126 H HD12 . LEU B 1 3 ? -0.591 8.175 -5.809 1.00 8.74 ? 3 LEU B HD12 1 +ATOM 127 H HD13 . LEU B 1 3 ? -0.216 6.656 -5.709 1.00 8.74 ? 3 LEU B HD13 1 +ATOM 128 H HD21 . LEU B 1 3 ? 2.724 9.295 -6.573 1.00 8.33 ? 3 LEU B HD21 1 +ATOM 129 H HD22 . LEU B 1 3 ? 1.299 9.880 -6.280 1.00 8.33 ? 3 LEU B HD22 1 +ATOM 130 H HD23 . LEU B 1 3 ? 1.546 9.023 -7.570 1.00 8.33 ? 3 LEU B HD23 1 +ATOM 131 N N . ILE B 1 4 ? 1.536 4.683 -4.483 1.00 3.54 ? 4 ILE B N 1 +ATOM 132 C CA . ILE B 1 4 ? 2.085 3.515 -5.179 1.00 3.57 ? 4 ILE B CA 1 +ATOM 133 C C . ILE B 1 4 ? 1.159 3.180 -6.361 1.00 3.34 ? 4 ILE B C 1 +ATOM 134 O O . ILE B 1 4 ? 1.646 2.661 -7.402 1.00 3.64 ? 4 ILE B O 1 +ATOM 135 C CB . ILE B 1 4 ? 2.262 2.317 -4.203 1.00 3.73 ? 4 ILE B CB 1 +ATOM 136 C CG1 . ILE B 1 4 ? 2.772 1.074 -4.943 1.00 4.52 ? 4 ILE B CG1 1 +ATOM 137 C CG2 . ILE B 1 4 ? 0.994 2.032 -3.416 1.00 5.64 ? 4 ILE B CG2 1 +ATOM 138 C CD1 . ILE B 1 4 ? 3.110 -0.104 -4.045 1.00 5.40 ? 4 ILE B CD1 1 +ATOM 139 O OXT . ILE B 1 4 ? -0.063 3.470 -6.212 1.00 3.90 ? 4 ILE B OXT 1 +ATOM 140 H H . ILE B 1 4 ? 0.681 4.749 -4.426 1.00 4.25 ? 4 ILE B H 1 +ATOM 141 H HA . ILE B 1 4 ? 2.966 3.754 -5.536 1.00 4.29 ? 4 ILE B HA 1 +ATOM 142 H HB . ILE B 1 4 ? 2.952 2.572 -3.556 1.00 4.48 ? 4 ILE B HB 1 +ATOM 143 H HG12 . ILE B 1 4 ? 2.096 0.794 -5.580 1.00 5.43 ? 4 ILE B HG12 1 +ATOM 144 H HG13 . ILE B 1 4 ? 3.565 1.317 -5.446 1.00 5.43 ? 4 ILE B HG13 1 +ATOM 145 H HG21 . ILE B 1 4 ? 0.713 2.830 -2.962 1.00 8.45 ? 4 ILE B HG21 1 +ATOM 146 H HG22 . ILE B 1 4 ? 1.166 1.342 -2.771 1.00 8.45 ? 4 ILE B HG22 1 +ATOM 147 H HG23 . ILE B 1 4 ? 0.302 1.745 -4.016 1.00 8.45 ? 4 ILE B HG23 1 +ATOM 148 H HD11 . ILE B 1 4 ? 3.521 -0.797 -4.567 1.00 8.10 ? 4 ILE B HD11 1 +ATOM 149 H HD12 . ILE B 1 4 ? 2.307 -0.440 -3.642 1.00 8.10 ? 4 ILE B HD12 1 +ATOM 150 H HD13 . ILE B 1 4 ? 3.718 0.181 -3.358 1.00 8.10 ? 4 ILE B HD13 1 +# +loop_ +_atom_site_anisotrop.id +_atom_site_anisotrop.type_symbol +_atom_site_anisotrop.pdbx_label_atom_id +_atom_site_anisotrop.pdbx_label_alt_id +_atom_site_anisotrop.pdbx_label_comp_id +_atom_site_anisotrop.pdbx_label_asym_id +_atom_site_anisotrop.pdbx_label_seq_id +_atom_site_anisotrop.pdbx_PDB_ins_code +_atom_site_anisotrop.U[1][1] +_atom_site_anisotrop.U[2][2] +_atom_site_anisotrop.U[3][3] +_atom_site_anisotrop.U[1][2] +_atom_site_anisotrop.U[1][3] +_atom_site_anisotrop.U[2][3] +_atom_site_anisotrop.pdbx_auth_seq_id +_atom_site_anisotrop.pdbx_auth_comp_id +_atom_site_anisotrop.pdbx_auth_asym_id +_atom_site_anisotrop.pdbx_auth_atom_id +1 N N . PRO A 1 ? 0.0347 0.0300 0.0511 0.0011 0.0008 0.0024 1 PRO A N +2 C CA . PRO A 1 ? 0.0332 0.0318 0.0511 0.0003 0.0019 0.0044 1 PRO A CA +3 C C . PRO A 1 ? 0.0368 0.0339 0.0499 0.0007 -0.0010 0.0060 1 PRO A C +4 O O . PRO A 1 ? 0.0344 0.0404 0.0808 0.0001 0.0057 0.0158 1 PRO A O +5 C CB . PRO A 1 ? 0.0484 0.0389 0.0472 0.0048 0.0050 0.0025 1 PRO A CB +6 C CG . PRO A 1 ? 0.0427 0.0384 0.0516 0.0053 -0.0007 -0.0028 1 PRO A CG +7 C CD . PRO A 1 ? 0.0459 0.0301 0.0652 0.0006 -0.0029 -0.0030 1 PRO A CD +17 N N . PHE A 2 ? 0.0333 0.0303 0.0532 0.0004 0.0024 0.0028 2 PHE A N +18 C CA . PHE A 2 ? 0.0374 0.0287 0.0531 0.0022 0.0031 0.0004 2 PHE A CA +19 C C . PHE A 2 ? 0.0335 0.0284 0.0504 0.0016 0.0027 0.0055 2 PHE A C +20 O O . PHE A 2 ? 0.0386 0.0336 0.0526 0.0022 0.0044 0.0028 2 PHE A O +21 C CB . PHE A 2 ? 0.0403 0.0282 0.0675 -0.0025 0.0021 -0.0024 2 PHE A CB +22 C CG . PHE A 2 ? 0.0439 0.0263 0.0600 -0.0032 0.0029 -0.0015 2 PHE A CG +23 C CD1 . PHE A 2 ? 0.0482 0.0304 0.0588 0.0008 0.0045 0.0014 2 PHE A CD1 +24 C CD2 . PHE A 2 ? 0.0595 0.0404 0.0554 0.0058 0.0087 -0.0001 2 PHE A CD2 +25 C CE1 . PHE A 2 ? 0.0477 0.0338 0.0624 0.0024 0.0030 -0.0014 2 PHE A CE1 +26 C CE2 . PHE A 2 ? 0.0682 0.0425 0.0578 0.0064 -0.0008 0.0020 2 PHE A CE2 +27 C CZ . PHE A 2 ? 0.0559 0.0306 0.0677 0.0023 -0.0046 0.0056 2 PHE A CZ +37 N N . LEU A 3 ? 0.0359 0.0347 0.0514 0.0024 0.0011 0.0008 3 LEU A N +38 C CA . LEU A 3 ? 0.0410 0.0342 0.0534 0.0013 -0.0007 -0.0021 3 LEU A CA +39 C C . LEU A 3 ? 0.0430 0.0328 0.0481 0.0002 0.0014 0.0018 3 LEU A C +40 O O . LEU A 3 ? 0.0411 0.0390 0.0526 -0.0003 -0.0009 -0.0063 3 LEU A O +41 C CB . LEU A 3 ? 0.0512 0.0395 0.0540 0.0040 -0.0014 -0.0012 3 LEU A CB +42 C CG . LEU A 3 ? 0.0682 0.0428 0.0616 -0.0112 -0.0010 0.0039 3 LEU A CG +43 C CD1 . LEU A 3 ? 0.0648 0.0592 0.0650 -0.0051 0.0119 0.0075 3 LEU A CD1 +44 C CD2 . LEU A 3 ? 0.1260 0.0423 0.0664 -0.0019 0.0020 0.0031 3 LEU A CD2 +56 N N . ILE A 4 ? 0.0398 0.0360 0.0504 -0.0009 0.0016 -0.0029 4 ILE A N +57 C CA . ILE A 4 ? 0.0442 0.0358 0.0422 0.0009 -0.0016 -0.0029 4 ILE A CA +58 C C . ILE A 4 ? 0.0376 0.0293 0.0503 -0.0002 0.0033 0.0013 4 ILE A C +59 O O . ILE A 4 ? 0.0389 0.0401 0.0504 -0.0035 0.0051 -0.0019 4 ILE A O +60 C CB . ILE A 4 ? 0.0465 0.0376 0.0514 -0.0012 -0.0032 0.0006 4 ILE A CB +61 C CG1 . ILE A 4 ? 0.0581 0.0403 0.0562 0.0057 -0.0059 -0.0012 4 ILE A CG1 +62 C CG2 . ILE A 4 ? 0.0636 0.0340 0.0659 0.0069 -0.0092 -0.0009 4 ILE A CG2 +63 C CD1 . ILE A 4 ? 0.0898 0.0464 0.0598 0.0059 -0.0084 0.0013 4 ILE A CD1 +64 O OXT . ILE A 4 ? 0.0387 0.0559 0.0581 0.0023 0.0003 0.0020 4 ILE A OXT +76 N N . PRO B 1 ? 0.0318 0.0332 0.0549 0.0014 0.0030 0.0037 1 PRO B N +77 C CA . PRO B 1 ? 0.0358 0.0295 0.0493 -0.0015 0.0030 0.0031 1 PRO B CA +78 C C . PRO B 1 ? 0.0314 0.0311 0.0509 0.0001 0.0065 0.0018 1 PRO B C +79 O O . PRO B 1 ? 0.0365 0.0349 0.0627 -0.0001 0.0010 0.0038 1 PRO B O +80 C CB . PRO B 1 ? 0.0447 0.0321 0.0534 0.0041 0.0047 0.0046 1 PRO B CB +81 C CG . PRO B 1 ? 0.0466 0.0335 0.0557 0.0050 0.0026 0.0018 1 PRO B CG +82 C CD . PRO B 1 ? 0.0419 0.0302 0.0676 0.0010 0.0019 0.0006 1 PRO B CD +92 N N . PHE B 2 ? 0.0371 0.0278 0.0514 -0.0009 -0.0003 0.0016 2 PHE B N +93 C CA . PHE B 2 ? 0.0359 0.0283 0.0456 0.0028 0.0003 -0.0003 2 PHE B CA +94 C C . PHE B 2 ? 0.0353 0.0257 0.0445 0.0022 0.0045 0.0021 2 PHE B C +95 O O . PHE B 2 ? 0.0379 0.0321 0.0498 -0.0007 0.0014 0.0013 2 PHE B O +96 C CB . PHE B 2 ? 0.0432 0.0267 0.0571 -0.0032 -0.0021 -0.0016 2 PHE B CB +97 C CG . PHE B 2 ? 0.0414 0.0257 0.0527 -0.0028 -0.0012 -0.0016 2 PHE B CG +98 C CD1 . PHE B 2 ? 0.0494 0.0290 0.0516 -0.0018 0.0027 -0.0036 2 PHE B CD1 +99 C CD2 . PHE B 2 ? 0.0457 0.0341 0.0534 -0.0024 0.0013 -0.0036 2 PHE B CD2 +100 C CE1 . PHE B 2 ? 0.0458 0.0317 0.0536 0.0004 0.0077 -0.0022 2 PHE B CE1 +101 C CE2 . PHE B 2 ? 0.0533 0.0325 0.0566 -0.0002 0.0035 0.0015 2 PHE B CE2 +102 C CZ . PHE B 2 ? 0.0491 0.0286 0.0614 0.0006 -0.0024 0.0002 2 PHE B CZ +112 N N . LEU B 3 ? 0.0389 0.0326 0.0442 0.0013 0.0005 -0.0018 3 LEU B N +113 C CA . LEU B 3 ? 0.0452 0.0344 0.0427 0.0010 -0.0027 -0.0037 3 LEU B CA +114 C C . LEU B 3 ? 0.0444 0.0327 0.0425 -0.0018 0.0033 0.0006 3 LEU B C +115 O O . LEU B 3 ? 0.0424 0.0387 0.0554 -0.0005 -0.0036 -0.0065 3 LEU B O +116 C CB . LEU B 3 ? 0.0597 0.0356 0.0520 0.0032 -0.0029 -0.0004 3 LEU B CB +117 C CG . LEU B 3 ? 0.0707 0.0415 0.0524 0.0031 0.0042 0.0013 3 LEU B CG +118 C CD1 . LEU B 3 ? 0.0688 0.0703 0.0691 -0.0028 -0.0048 0.0111 3 LEU B CD1 +119 C CD2 . LEU B 3 ? 0.0772 0.0519 0.0695 0.0038 0.0042 0.0085 3 LEU B CD2 +131 N N . ILE B 4 ? 0.0367 0.0342 0.0557 -0.0001 0.0011 -0.0038 4 ILE B N +132 C CA . ILE B 4 ? 0.0380 0.0343 0.0553 -0.0031 0.0015 -0.0028 4 ILE B CA +133 C C . ILE B 4 ? 0.0394 0.0279 0.0520 0.0008 0.0036 0.0004 4 ILE B C +134 O O . ILE B 4 ? 0.0420 0.0349 0.0531 -0.0011 0.0028 -0.0052 4 ILE B O +135 C CB . ILE B 4 ? 0.0460 0.0359 0.0513 0.0021 -0.0007 0.0015 4 ILE B CB +136 C CG1 . ILE B 4 ? 0.0629 0.0362 0.0625 0.0021 -0.0004 -0.0019 4 ILE B CG1 +137 C CG2 . ILE B 4 ? 0.0640 0.0618 0.0757 0.0120 0.0151 0.0264 4 ILE B CG2 +138 C CD1 . ILE B 4 ? 0.0788 0.0387 0.0755 0.0059 0.0052 0.0074 4 ILE B CD1 +139 O OXT . ILE B 4 ? 0.0374 0.0492 0.0528 0.0027 0.0012 -0.0011 4 ILE B OXT +# From b7ada7c4a15a7aebe7919d35cd4e0238417ac4e0 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 24 Oct 2024 21:42:21 +0200 Subject: [PATCH 029/133] add mmcif to __all__ --- testsuite/MDAnalysisTests/datafiles.py | 1 + 1 file changed, 1 insertion(+) diff --git a/testsuite/MDAnalysisTests/datafiles.py b/testsuite/MDAnalysisTests/datafiles.py index baa835ecba8..bcecc2dc862 100644 --- a/testsuite/MDAnalysisTests/datafiles.py +++ b/testsuite/MDAnalysisTests/datafiles.py @@ -313,6 +313,7 @@ "AUX_EDR_RAW", "AUX_EDR_SINGLE_FRAME", # for testing .edr auxiliary reader "MMTF", + "MMCIF", "MMTF_gz", "MMTF_skinny", # skinny - some optional fields stripped out "MMTF_skinny2", From e80632c6a8efece7b4f02a481825d310eb4dcaa1 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 25 Oct 2024 11:17:18 +0000 Subject: [PATCH 030/133] add black instead of ruff --- package/MDAnalysis/coordinates/MMCIF.py | 2 +- package/MDAnalysis/topology/MMCIFParser.py | 14 ++++++++++---- testsuite/MDAnalysisTests/topology/test_mmcif.py | 8 ++++++-- 3 files changed, 17 insertions(+), 7 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index ee8df98d781..0107a52c210 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -15,7 +15,7 @@ logger = logging.getLogger("MDAnalysis.coordinates.MMCIF") -def get_coordinates(model: 'gemmi.Model') -> np.ndarray: +def get_coordinates(model: "gemmi.Model") -> np.ndarray: """Get coordinates of all atoms in the `gemmi.Model` object. Parameters diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 2a0adb71704..6367cb88f9f 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -61,10 +61,14 @@ def _into_idx(arr: list) -> list[int]: .. versionadded:: 2.8.0 """ - return [idx for idx, (_, group) in enumerate(itertools.groupby(arr)) for _ in group] + return [ + idx + for idx, (_, group) in enumerate(itertools.groupby(arr)) + for _ in group + ] -def get_Atomattrs(model: 'gemmi.Model') -> tuple[list[AtomAttr], np.ndarray]: +def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.AtomAttr` from a ``gemmi.Model`` object, and a `residx` index with indices of all atoms in residues. @@ -165,7 +169,9 @@ def get_Atomattrs(model: 'gemmi.Model') -> tuple[list[AtomAttr], np.ndarray]: return attrs, residx -def get_Residueattrs(model: 'gemmi.Model') -> tuple[list[ResidueAttr], np.ndarray]: +def get_Residueattrs( + model: "gemmi.Model", +) -> tuple[list[ResidueAttr], np.ndarray]: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.ResidueAttr` from a ``gemmi.Model`` object, and a `segidx` index witn indices of all residues in segments. @@ -214,7 +220,7 @@ def get_Residueattrs(model: 'gemmi.Model') -> tuple[list[ResidueAttr], np.ndarra return attrs, segidx -def get_Segmentattrs(model: 'gemmi.Model') -> SegmentAttr: +def get_Segmentattrs(model: "gemmi.Model") -> SegmentAttr: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.SegmentAttr` from a ``gemmi.Model`` object. Parameters diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index b4ff08a8a55..0498fc2feed 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -35,7 +35,10 @@ def test_chains(mmcif_filename, n_chains): @pytest.mark.parametrize( "mmcif_filename,sequence", [ - (f"{MMCIF_FOLDER}/1YJP.cif", ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TYR"]), + ( + f"{MMCIF_FOLDER}/1YJP.cif", + ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TYR"], + ), ( f"{MMCIF_FOLDER}/1YJP.cif.gz", ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TYR"], @@ -47,6 +50,7 @@ def test_chains(mmcif_filename, n_chains): def test_sequence(mmcif_filename, sequence): u = mda.Universe(mmcif_filename) in_structure = [ - str(res.resname) for res in u.select_atoms("protein and chainid A").residues + str(res.resname) + for res in u.select_atoms("protein and chainid A").residues ] assert in_structure == sequence, ":".join(in_structure) From 98353fedb3ca21b566b8ab3c690a930c18954285 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Mon, 10 Feb 2025 01:13:01 +0100 Subject: [PATCH 031/133] fix function signature --- package/MDAnalysis/topology/MMCIFParser.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 6367cb88f9f..a82b6358a0e 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -1,5 +1,5 @@ """ -MMCIF Topology Parser # +MMCIF Topology Parser # =================== """ @@ -220,7 +220,7 @@ def get_Residueattrs( return attrs, segidx -def get_Segmentattrs(model: "gemmi.Model") -> SegmentAttr: +def get_Segmentattrs(model: "gemmi.Model") -> list[SegmentAttr]: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.SegmentAttr` from a ``gemmi.Model`` object. Parameters From e68fccecfe5788a5b861dc5775531b58093b0dd1 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 19 Feb 2025 10:01:23 +0100 Subject: [PATCH 032/133] Add documentation for mmcif coords --- package/MDAnalysis/coordinates/MMCIF.py | 79 ++++++++++++++++++++++--- 1 file changed, 72 insertions(+), 7 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 0107a52c210..705f41c5d33 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -1,3 +1,71 @@ +"""MMCIF structure files in MDAnalysis --- :mod:`MDAnalysis.coordinates.MMCIF` +========================================================================== + +MDAnalysis reads coordinates from MMCIF (macromolecular Crystallographic Information File) files +using the gemmi library as a backend. MMCIF is a more modern and flexible alternative to the PDB format, +capable of storing detailed structural and experimental data about biological macromolecules. + +MMCIF files use a structured, tabular format with key-value pairs to store both coordinate and atom information. +The format supports multiple models/frames, though this implementation currently only reads the first model +and provides warning messages for multi-model files. + +Basic usage +----------- + +Reading an MMCIF file is straightforward: + + .. code-block:: python + + import MDAnalysis as mda + u = mda.Universe("structure.cif") + + +The reader will automatically detect if the structure contains placeholder unit cell information +(usually it's the case for cryoEM structures, and cell parameters are (1, 1, 1, 90, 90, 90)) +and set dimensions to None in that case. + +Capabilities +------------ + +The MMCIF reader implementation uses the gemmi library to parse files and extract coordinates +and unit cell information. Currently only reading capability is supported, with the following +features: + +- Single frame/model reading +- Unit cell dimensions detection +- Support for compressed .cif.gz files +- Automatic handling of placeholder unit cells for cryoEM structures + +Examples +-------- + +Basic structure loading:: + + .. code-block:: python + # Load structure from MMCIF + u = mda.Universe("structure.cif") + + # or from cif.gz file + u = mda.Universe("structure.cif.gz") + + +The coordinates are stored in Angstroms. + +Classes +------- + +.. autoclass:: MMCIFReader + :members: + :inherited-members: + +See Also +-------- +- wwPDB MMCIF Resources: http://mmcif.wwpdb.org +- Gemmi library documentation: https://gemmi.readthedocs.io + +.. versionadded:: 2.9.0 +""" + import logging import warnings @@ -57,11 +125,11 @@ def _read_first_frame(self): ] ) if len(structure) > 1: - warnings.warn( + warnings.warn( # FIXME: add tests for this f"File {self.filename} has {len(structure)} models, but only the first one will be read" ) if len(structure) > 1: - warnings.warn( + warnings.warn( # FIXME: add tests for this "MMCIF model {self.filename} contains {len(model)=} different models, " "but only the first one will be used to assign the topology" ) # TODO: if the structures represent timestamps, can parse them with :func:`get_coordinates`. @@ -71,15 +139,12 @@ def _read_first_frame(self): self.n_atoms = len(coords) self.ts = self._Timestep.from_coordinates(coords, **self._ts_kwargs) if np.allclose(cell_dims, np.array([1.0, 1.0, 1.0, 90.0, 90.0, 90.0])): - warnings.warn( + warnings.warn( # FIXME: add tests for this "1 A^3 CRYST1 record," " this is usually a placeholder." " Unit cell dimensions will be set to None." ) - self.ts.dimensions = None + self.ts.dimensions = None # FIXME: add tests for this else: self.ts.dimensions = cell_dims self.ts.frame = 0 - - def close(self): - pass From 263e9f148df71a17868e1fa7a0859719e3d463fb Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 20 Feb 2025 23:12:47 +0100 Subject: [PATCH 033/133] expand documentation and type annotations --- package/MDAnalysis/coordinates/MMCIF.py | 7 +-- package/MDAnalysis/topology/MMCIFParser.py | 54 ++++++++++++++++--- .../MDAnalysisTests/topology/test_mmcif.py | 13 +---- 3 files changed, 50 insertions(+), 24 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 705f41c5d33..26718f56e93 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -1,8 +1,8 @@ """MMCIF structure files in MDAnalysis --- :mod:`MDAnalysis.coordinates.MMCIF` ========================================================================== -MDAnalysis reads coordinates from MMCIF (macromolecular Crystallographic Information File) files -using the gemmi library as a backend. MMCIF is a more modern and flexible alternative to the PDB format, +MDAnalysis reads coordinates from MMCIF (macromolecular Crystallographic Information File) files, also known as PDBx/mmCIF format, +using the ``gemmi`` library as a backend. MMCIF is a more modern and flexible alternative to the PDB format, capable of storing detailed structural and experimental data about biological macromolecules. MMCIF files use a structured, tabular format with key-value pairs to store both coordinate and atom information. @@ -48,9 +48,6 @@ # or from cif.gz file u = mda.Universe("structure.cif.gz") - -The coordinates are stored in Angstroms. - Classes ------- diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index a82b6358a0e..39b99458a50 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -1,6 +1,44 @@ """ -MMCIF Topology Parser # -=================== +MMCIF Topology Parser +==================== + +Read topology information from mmCIF/PDBx coordinate files using the [gemmi](https://github.com/project-gemmi/gemmi) library. + +mmCIF files contain topology information about the molecules in the structure. For each atom the following attributes are read +and stored in the relevant topology attributes: + - :class:`..core.topologyattrs.AtomAttr` subclasses: + - :class:`..core.topologyattrs.AltLocs` + - :class:`..core.topologyattrs.Atomids` + - :class:`..core.topologyattrs.Atomnames` + - :class:`..core.topologyattrs.Atomtypes` + - :class:`..core.topologyattrs.ChainIDs` + - :class:`..core.topologyattrs.Elements` + - :class:`..core.topologyattrs.FormalCharges` + - :class:`..core.topologyattrs.Masses` + - :class:`..core.topologyattrs.Occupancies` + - :class:`..core.topologyattrs.RecordTypes` + - :class:`..core.topologyattrs.Tempfactors` + - :class:`..core.topologyattrs.ResidueAttr` subclasses: + - :class:`..core.topologyattrs.Resnums` + - :class:`..core.topologyattrs.ICodes` + - :class:`..core.topologyattrs.Resids` + - :class:`..core.topologyattrs.Resnames` + - :class:`..core.topologyattrs.SegmentAttr` subclasses: + - :class:`..core.topologyattrs.Segids` + +References +---------- +.. [1] Westbrook, J. D. and Bourne, P. E. `Star/mmCIF: An extensive + ontology for macromolecular structure and beyond.` + *Bioinformatics* (2000) **16**: 159-168. +.. [2] `project-gemmi/gemmi `_ -- library for structural biology in C++11/Python + +See Also +-------- +:mod:`MDAnalysis.topology.PDBParser` + For the PDB equivalent of this parser. + +.. versionadded:: 2.8.0 """ try: @@ -148,7 +186,9 @@ def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: for record in record_types ] if any((elem is None for elem in record_types)): - raise ValueError("Found an atom that is neither ATOM or HETATM") + raise ValueError( + "Found an atom that is neither ATOM or HETATM" + ) # FIXME: add tests for this attrs = [ AltLocs(altlocs), @@ -262,12 +302,12 @@ class MMCIFParser(TopologyReaderBase): - :class:`..core.topologyattrs.SegmentAttr` subclasses: - :class:`..core.topologyattrs.Segids` - .. versionadded:: 2.8.0 + .. versionadded:: 2.9.0 """ - format = ["cif", "cif.gz", "mmcif"] + format = ["cif", "cif.gz", "mmcif", "mmcif.gz"] - def parse(self, **kwargs): + def parse(self, **kwargs) -> Topology: """Read the file and return the structure. Returns @@ -277,7 +317,7 @@ def parse(self, **kwargs): structure = gemmi.read_structure(self.filename) if len(structure) > 1: - warnings.warn( + warnings.warn( # FIXME: add tests for this "MMCIF model {self.filename} contains {len(model)=} different models, " "but only the first one will be used to assign the topology" ) diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 0498fc2feed..3ad09c89407 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -1,19 +1,8 @@ -import glob -import os -from io import StringIO - import MDAnalysis as mda -import numpy as np import pytest -from numpy.testing import ( - assert_allclose, - assert_almost_equal, - assert_array_almost_equal, - assert_equal, -) +from MDAnalysis.coordinates.MMCIF import HAS_GEMMI from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER -from MDAnalysis.coordinates.MMCIF import HAS_GEMMI @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") From ba47d5368720be03352356abe1403c342f1a80b1 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 20 Feb 2025 23:13:13 +0100 Subject: [PATCH 034/133] add invalid cif and MMCIF rst files --- .../documentation_pages/coordinates/MMCIF.rst | 2 + .../topology/MMCIFParser.rst | 1 + .../data/mmcif/1YJP_invalid.cif | 813 ++++++++++++++++++ 3 files changed, 816 insertions(+) create mode 100644 package/doc/sphinx/source/documentation_pages/coordinates/MMCIF.rst create mode 100644 package/doc/sphinx/source/documentation_pages/topology/MMCIFParser.rst create mode 100644 testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif diff --git a/package/doc/sphinx/source/documentation_pages/coordinates/MMCIF.rst b/package/doc/sphinx/source/documentation_pages/coordinates/MMCIF.rst new file mode 100644 index 00000000000..f769bd846f5 --- /dev/null +++ b/package/doc/sphinx/source/documentation_pages/coordinates/MMCIF.rst @@ -0,0 +1,2 @@ +.. automodule:: MDAnalysis.coordinates.MMCIF + diff --git a/package/doc/sphinx/source/documentation_pages/topology/MMCIFParser.rst b/package/doc/sphinx/source/documentation_pages/topology/MMCIFParser.rst new file mode 100644 index 00000000000..6b31bb012a4 --- /dev/null +++ b/package/doc/sphinx/source/documentation_pages/topology/MMCIFParser.rst @@ -0,0 +1 @@ +.. automodule:: MDAnalysis.topology.MMCIFParser diff --git a/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif b/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif new file mode 100644 index 00000000000..8ab699ebdae --- /dev/null +++ b/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif @@ -0,0 +1,813 @@ +data_1YJP +# +_entry.id 1YJP +# +_audit.revision_id 1 +_audit.creation_date 2005-01-14 +_audit.update_record 'initial release' +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.387 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 1YJP pdb_00001yjp 10.2210/pdb1yjp/pdb +RCSB RCSB031590 ? ? +WWPDB D_1000031590 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2005-06-14 +2 'Structure model' 1 1 2008-04-30 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2017-10-11 +5 'Structure model' 1 4 2024-02-14 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Refinement description' +4 5 'Structure model' 'Data collection' +5 5 'Structure model' 'Database references' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 4 'Structure model' software +2 5 'Structure model' chem_comp_atom +3 5 'Structure model' chem_comp_bond +4 5 'Structure model' database_2 +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 5 'Structure model' '_database_2.pdbx_DOI' +2 5 'Structure model' '_database_2.pdbx_database_accession' +# +_pdbx_database_status.entry_id 1YJP +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.recvd_initial_deposition_date 2005-01-15 +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry ? +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.status_code_nmr_data ? +# +_pdbx_database_related.db_name PDB +_pdbx_database_related.db_id 1YJO +_pdbx_database_related.details . +_pdbx_database_related.content_type unspecified +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Nelson, R.' 1 +'Sawaya, M.R.' 2 +'Balbirnie, M.' 3 +'Madsen, A.O.' 4 +'Riekel, C.' 5 +'Grothe, R.' 6 +'Eisenberg, D.' 7 +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary 'Structure of the cross-beta spine of amyloid-like fibrils.' Nature 435 773 778 2005 +NATUAS UK 0028-0836 0006 ? 15944695 10.1038/nature03680 +1 'Refinement of Macromolecular Structures by the Maximum-Likelihood Method' 'Acta Crystallogr.,Sect.D' 53 240 255 1997 +ABCRE6 DK 0907-4449 0766 ? ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Nelson, R.' 1 ? +primary 'Sawaya, M.R.' 2 ? +primary 'Balbirnie, M.' 3 ? +primary 'Madsen, A.O.' 4 ? +primary 'Riekel, C.' 5 ? +primary 'Grothe, R.' 6 ? +primary 'Eisenberg, D.' 7 ? +1 'Murshudov, G.N.' 8 ? +1 'Vagin, A.A.' 9 ? +1 'Dodson, E.J.' 10 ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer syn 'Eukaryotic peptide chain release factor GTP-binding subunit' 836.807 1 ? ? 'prion determining domain of Sup35' ? +2 water nat water 18.015 7 ? ? ? ? +# +_entity_name_com.entity_id 1 +_entity_name_com.name +'ERF2, Translation release factor 3, ERF3, ERF-3, Omnipotent suppressor protein 2, G1 to S phase transition protein 1' +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code GNNQQNY +_entity_poly.pdbx_seq_one_letter_code_can GNNQQNY +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.name water +_pdbx_entity_nonpoly.comp_id HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 GLY n +1 2 ASN n +1 3 ASN n +1 4 GLN n +1 5 GLN n +1 6 ASN n +1 7 TYR n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num ? +_pdbx_entity_src_syn.pdbx_end_seq_num ? +_pdbx_entity_src_syn.organism_scientific ? +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id ? +_pdbx_entity_src_syn.details 'This sequence is from the prion determining domain of Saccharomyces cerevisiae Sup35' +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HOH non-polymer . WATER ? 'H2 O' 18.015 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 GLY 1 1 1 GLY GLY A . n +A 1 2 ASN 2 2 2 ASN ASN A . n +A 1 3 ASN 3 3 3 ASN ASN A . n +A 1 4 GLN 4 4 4 GLN GLN A . n +A 1 5 GLN 5 5 5 GLN GLN A . n +A 1 6 ASN 6 6 6 ASN ASN A . n +A 1 7 TYR 7 7 7 TYR TYR A . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 HOH 1 8 8 HOH HOH A . +B 2 HOH 2 9 9 HOH HOH A . +B 2 HOH 3 10 10 HOH HOH A . +B 2 HOH 4 11 11 HOH HOH A . +B 2 HOH 5 12 12 HOH HOH A . +B 2 HOH 6 13 13 HOH HOH A . +B 2 HOH 7 14 14 HOH HOH A . +# +loop_ +_software.name +_software.version +_software.date +_software.type +_software.contact_author +_software.contact_author_email +_software.classification +_software.location +_software.language +_software.citation_id +_software.pdbx_ordinal +REFMAC . ? program 'Murshudov, G.N.' ccp4@dl.ac.uk refinement http://www.ccp4.ac.uk/main.html Fortran ? 1 +DENZO . ? ? ? ? 'data reduction' ? ? ? 2 +SCALEPACK . ? ? ? ? 'data scaling' ? ? ? 3 +# +_cell.entry_id 1YJP +_cell.length_a 21.937 +_cell.length_b 4.866 +_cell.length_c 23.477 +_cell.angle_alpha 90.00 +_cell.angle_beta 107.08 +_cell.angle_gamma 90.00 +_cell.Z_PDB 2 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1YJP +_symmetry.space_group_name_H-M 'P 1 21 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 4 +_symmetry.space_group_name_Hall ? +# +_exptl.method 'X-RAY DIFFRACTION' +_exptl.entry_id 1YJP +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_percent_sol 14.03 +_exptl_crystal.density_Matthews 1.43 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.pH 7 +_exptl_crystal_grow.temp 298 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pdbx_details 'water, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K' +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type MARRESEARCH +_diffrn_detector.pdbx_collection_date 2004-06-12 +_diffrn_detector.details 'Ellipsoidal Mirror' +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.monochromator 'channel-cut Si-111 monochromator' +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.975 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'ESRF BEAMLINE ID13' +_diffrn_source.pdbx_wavelength 0.975 +_diffrn_source.pdbx_wavelength_list 0.975 +_diffrn_source.pdbx_synchrotron_site ESRF +_diffrn_source.pdbx_synchrotron_beamline ID13 +# +_reflns.d_resolution_low 80.00 +_reflns.d_resolution_high 1.80 +_reflns.number_obs 509 +_reflns.percent_possible_obs 89.5 +_reflns.pdbx_Rmerge_I_obs 0.204 +_reflns.pdbx_chi_squared 1.057 +_reflns.entry_id 1YJP +_reflns.observed_criterion_sigma_F 0 +_reflns.observed_criterion_sigma_I 0 +_reflns.number_all 509 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI 3.75 +_reflns.B_iso_Wilson_estimate 45.6 +_reflns.pdbx_redundancy 2.0 +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +# +_reflns_shell.d_res_low 1.94 +_reflns_shell.d_res_high 1.80 +_reflns_shell.number_unique_all 85 +_reflns_shell.percent_possible_all 84.2 +_reflns_shell.Rmerge_I_obs 0.491 +_reflns_shell.pdbx_redundancy ? +_reflns_shell.pdbx_chi_squared 1.092 +_reflns_shell.number_unique_obs ? +_reflns_shell.meanI_over_sigI_obs 1.5 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.percent_possible_obs ? +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.pdbx_diffrn_id ? +_reflns_shell.pdbx_ordinal 1 +# +_refine.entry_id 1YJP +_refine.ls_d_res_high 1.80 +_refine.ls_d_res_low 22.44 +_refine.pdbx_ls_sigma_F 0 +_refine.pdbx_ls_sigma_I 0 +_refine.ls_number_reflns_all 474 +_refine.ls_number_reflns_obs 474 +_refine.ls_number_reflns_R_free 20 +_refine.ls_percent_reflns_obs ? +_refine.ls_R_factor_all 0.18139 +_refine.ls_R_factor_obs 0.18139 +_refine.ls_R_factor_R_work 0.18086 +_refine.ls_R_factor_R_free 0.19014 +_refine.ls_redundancy_reflns_obs ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.pdbx_method_to_determine_struct 'FOURIER SYNTHESIS' +_refine.pdbx_starting_model ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_stereochemistry_target_values 'Engh & Huber' +_refine.solvent_model_details ? +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.pdbx_isotropic_thermal_model ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.details ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_SU_B ? +_refine.overall_SU_ML ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 59 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 7 +_refine_hist.number_atoms_total 66 +_refine_hist.d_res_high 1.80 +_refine_hist.d_res_low 22.44 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.weight +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +r_angle_refined_deg 1.228 ? ? ? 'X-RAY DIFFRACTION' ? +r_bond_refined_d 0.014 ? ? ? 'X-RAY DIFFRACTION' ? +# +_struct.entry_id 1YJP +_struct.title 'Structure of GNNQQNY from yeast prion Sup35' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1YJP +_struct_keywords.pdbx_keywords 'PROTEIN BINDING' +_struct_keywords.text 'beta sheet, steric zipper, glutamine zipper, asparagine zipper, PROTEIN BINDING' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code ERF2_YEAST +_struct_ref.pdbx_db_accession P05453 +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code GNNQQNY +_struct_ref.pdbx_align_begin 7 +_struct_ref.pdbx_db_isoform ? +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1YJP +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 7 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P05453 +_struct_ref_seq.db_align_beg 7 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 13 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 7 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1,2 +_pdbx_struct_assembly_gen.asym_id_list A,B +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +2 'crystal symmetry operation' 2_555 -x,y+1/2,-z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 2.4330000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 +# +_pdbx_database_remark.id 300 +_pdbx_database_remark.text +;BIOMOLECULE: 1 +THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT +WHICH CONSISTS OF 1 CHAIN(S). The second beta strand of +the beta sandwich is generated as described in remark 350. +Beta sheets are generated from unit cell translations +along the unit cell b dimension: x,y+1,z. +; +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ASN N N N N 1 +ASN CA C N S 2 +ASN C C N N 3 +ASN O O N N 4 +ASN CB C N N 5 +ASN CG C N N 6 +ASN OD1 O N N 7 +ASN ND2 N N N 8 +ASN OXT O N N 9 +ASN H H N N 10 +ASN H2 H N N 11 +ASN HA H N N 12 +ASN HB2 H N N 13 +ASN HB3 H N N 14 +ASN HD21 H N N 15 +ASN HD22 H N N 16 +ASN HXT H N N 17 +GLN N N N N 18 +GLN CA C N S 19 +GLN C C N N 20 +GLN O O N N 21 +GLN CB C N N 22 +GLN CG C N N 23 +GLN CD C N N 24 +GLN OE1 O N N 25 +GLN NE2 N N N 26 +GLN OXT O N N 27 +GLN H H N N 28 +GLN H2 H N N 29 +GLN HA H N N 30 +GLN HB2 H N N 31 +GLN HB3 H N N 32 +GLN HG2 H N N 33 +GLN HG3 H N N 34 +GLN HE21 H N N 35 +GLN HE22 H N N 36 +GLN HXT H N N 37 +GLY N N N N 38 +GLY CA C N N 39 +GLY C C N N 40 +GLY O O N N 41 +GLY OXT O N N 42 +GLY H H N N 43 +GLY H2 H N N 44 +GLY HA2 H N N 45 +GLY HA3 H N N 46 +GLY HXT H N N 47 +HOH O O N N 48 +HOH H1 H N N 49 +HOH H2 H N N 50 +TYR N N N N 51 +TYR CA C N S 52 +TYR C C N N 53 +TYR O O N N 54 +TYR CB C N N 55 +TYR CG C Y N 56 +TYR CD1 C Y N 57 +TYR CD2 C Y N 58 +TYR CE1 C Y N 59 +TYR CE2 C Y N 60 +TYR CZ C Y N 61 +TYR OH O N N 62 +TYR OXT O N N 63 +TYR H H N N 64 +TYR H2 H N N 65 +TYR HA H N N 66 +TYR HB2 H N N 67 +TYR HB3 H N N 68 +TYR HD1 H N N 69 +TYR HD2 H N N 70 +TYR HE1 H N N 71 +TYR HE2 H N N 72 +TYR HH H N N 73 +TYR HXT H N N 74 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ASN N CA sing N N 1 +ASN N H sing N N 2 +ASN N H2 sing N N 3 +ASN CA C sing N N 4 +ASN CA CB sing N N 5 +ASN CA HA sing N N 6 +ASN C O doub N N 7 +ASN C OXT sing N N 8 +ASN CB CG sing N N 9 +ASN CB HB2 sing N N 10 +ASN CB HB3 sing N N 11 +ASN CG OD1 doub N N 12 +ASN CG ND2 sing N N 13 +ASN ND2 HD21 sing N N 14 +ASN ND2 HD22 sing N N 15 +ASN OXT HXT sing N N 16 +GLN N CA sing N N 17 +GLN N H sing N N 18 +GLN N H2 sing N N 19 +GLN CA C sing N N 20 +GLN CA CB sing N N 21 +GLN CA HA sing N N 22 +GLN C O doub N N 23 +GLN C OXT sing N N 24 +GLN CB CG sing N N 25 +GLN CB HB2 sing N N 26 +GLN CB HB3 sing N N 27 +GLN CG CD sing N N 28 +GLN CG HG2 sing N N 29 +GLN CG HG3 sing N N 30 +GLN CD OE1 doub N N 31 +GLN CD NE2 sing N N 32 +GLN NE2 HE21 sing N N 33 +GLN NE2 HE22 sing N N 34 +GLN OXT HXT sing N N 35 +GLY N CA sing N N 36 +GLY N H sing N N 37 +GLY N H2 sing N N 38 +GLY CA C sing N N 39 +GLY CA HA2 sing N N 40 +GLY CA HA3 sing N N 41 +GLY C O doub N N 42 +GLY C OXT sing N N 43 +GLY OXT HXT sing N N 44 +HOH O H1 sing N N 45 +HOH O H2 sing N N 46 +TYR N CA sing N N 47 +TYR N H sing N N 48 +TYR N H2 sing N N 49 +TYR CA C sing N N 50 +TYR CA CB sing N N 51 +TYR CA HA sing N N 52 +TYR C O doub N N 53 +TYR C OXT sing N N 54 +TYR CB CG sing N N 55 +TYR CB HB2 sing N N 56 +TYR CB HB3 sing N N 57 +TYR CG CD1 doub Y N 58 +TYR CG CD2 sing Y N 59 +TYR CD1 CE1 sing Y N 60 +TYR CD1 HD1 sing N N 61 +TYR CD2 CE2 doub Y N 62 +TYR CD2 HD2 sing N N 63 +TYR CE1 CZ doub Y N 64 +TYR CE1 HE1 sing N N 65 +TYR CE2 CZ sing Y N 66 +TYR CE2 HE2 sing N N 67 +TYR CZ OH sing N N 68 +TYR OH HH sing N N 69 +TYR OXT HXT sing N N 70 +# +_atom_sites.entry_id 1YJP +_atom_sites.fract_transf_matrix[1][1] 0.045585 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.014006 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.205508 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.044560 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +N +O +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . GLY A 1 1 ? -9.009 4.612 6.102 1.00 16.77 ? 1 GLY A N 1 +ATOM 2 C CA . GLY A 1 1 ? -9.052 4.207 4.651 1.00 16.57 ? 1 GLY A CA 1 +ATOM 3 C C . GLY A 1 1 ? -8.015 3.140 4.419 1.00 16.16 ? 1 GLY A C 1 +ATOM 4 O O . GLY A 1 1 ? -7.523 2.521 5.381 1.00 16.78 ? 1 GLY A O 1 +ATOM 5 N N . ASN A 1 2 ? -7.656 2.923 3.155 1.00 15.02 ? 2 ASN A N 1 +ATOM 6 C CA . ASN A 1 2 ? -6.522 2.038 2.831 1.00 14.10 ? 2 ASN A CA 1 +ATOM 7 C C . ASN A 1 2 ? -5.241 2.537 3.427 1.00 13.13 ? 2 ASN A C 1 +ATOM 8 O O . ASN A 1 2 ? -4.978 3.742 3.426 1.00 11.91 ? 2 ASN A O 1 +ATOM 9 C CB . ASN A 1 2 ? -6.346 1.881 1.341 1.00 15.38 ? 2 ASN A CB 1 +ATOM 10 C CG . ASN A 1 2 ? -7.584 1.342 0.692 1.00 14.08 ? 2 ASN A CG 1 +ATOM 11 O OD1 . ASN A 1 2 ? -8.025 0.227 1.016 1.00 17.46 ? 2 ASN A OD1 1 +ATOM 12 N ND2 . ASN A 1 2 ? -8.204 2.155 -0.169 1.00 11.72 ? 2 ASN A ND2 1 +ATOM 13 N N . ASN A 1 3 ? -4.438 1.590 3.905 1.00 12.26 ? 3 ASN A N 1 +ATOM 14 C CA . ASN A 1 3 ? -3.193 1.904 4.589 1.00 11.74 ? 3 ASN A CA 1 +ATOM 15 C C . ASN A 1 3 ? -1.955 1.332 3.895 1.00 11.10 ? 3 ASN A C 1 +ATOM 16 O O . ASN A 1 3 ? -1.872 0.119 3.648 1.00 10.42 ? 3 ASN A O 1 +ATOM 17 C CB . ASN A 1 3 ? -3.259 1.378 6.042 1.00 12.15 ? 3 ASN A CB 1 +ATOM 18 C CG . ASN A 1 3 ? -2.006 1.739 6.861 1.00 12.82 ? 3 ASN A CG 1 +ATOM 19 O OD1 . ASN A 1 3 ? -1.702 2.925 7.072 1.00 15.05 ? 3 ASN A OD1 1 +ATOM 20 N ND2 . ASN A 1 3 ? -1.271 0.715 7.306 1.00 13.48 ? 3 ASN A ND2 1 +ATOM 21 N N . GLN A 1 4 ? -1.005 2.228 3.598 1.00 10.29 ? 4 GLN A N 1 +ATOM 22 C CA . GLN A 1 4 ? 0.384 1.888 3.199 1.00 10.53 ? 4 GLN A CA 1 +ATOM 23 C C . GLN A 1 4 ? 1.435 2.606 4.088 1.00 10.24 ? 4 GLN A C 1 +ATOM 24 O O . GLN A 1 4 ? 1.547 3.843 4.115 1.00 8.86 ? 4 GLN A O 1 +ATOM 25 C CB . GLN A 1 4 ? 0.656 2.148 1.711 1.00 9.80 ? 4 GLN A CB 1 +ATOM 26 C CG . GLN A 1 4 ? 1.944 1.458 1.213 1.00 10.25 ? 4 GLN A CG 1 +ATOM 27 C CD . GLN A 1 4 ? 2.504 2.044 -0.089 1.00 12.43 ? 4 GLN A CD 1 +ATOM 28 O OE1 . GLN A 1 4 ? 2.744 3.268 -0.190 1.00 14.62 ? 4 GLN A OE1 1 +ATOM 29 N NE2 . GLN A 1 4 ? 2.750 1.161 -1.091 1.00 9.05 ? 4 GLN A NE2 1 +ATOM 30 N N . GLN A 1 5 ? 2.154 1.821 4.871 1.00 10.38 ? 5 GLN A N 1 +ATOM 31 C CA . GLN A 1 5 ? 3.270 2.361 5.640 1.00 11.39 ? 5 GLN A CA 1 +ATOM 32 C C . GLN A 1 5 ? 4.594 1.768 5.172 1.00 11.52 ? 5 GLN A C 1 +ATOM 33 O O . GLN A 1 5 ? 4.768 0.546 5.054 1.00 12.05 ? 5 GLN A O 1 +ATOM 34 C CB . GLN A 1 5 ? 3.056 2.183 7.147 1.00 11.96 ? 5 GLN A CB 1 +ATOM 35 C CG . GLN A 1 5 ? 1.829 2.950 7.647 1.00 10.81 ? 5 GLN A CG 1 +ATOM 36 C CD . GLN A 1 5 ? 1.344 2.414 8.954 1.00 13.10 ? 5 GLN A CD 1 +ATOM 37 O OE1 . GLN A 1 5 ? 0.774 1.325 9.002 1.00 10.65 ? 5 GLN A OE1 1 +ATOM 38 N NE2 . GLN A 1 5 ? 1.549 3.187 10.039 1.00 12.30 ? 5 GLN A NE2 1 +ATOM 39 N N . ASN A 1 6 ? 5.514 2.664 4.856 1.00 11.99 ? 6 ASN A N 1 +ATOM 40 C CA . ASN A 1 6 ? 6.831 2.310 4.318 1.00 12.30 ? 6 ASN A CA 1 +ATOM 41 C C . ASN A 1 6 ? 7.854 2.761 5.324 1.00 13.40 ? 6 ASN A C 1 +ATOM 42 O O . ASN A 1 6 ? 8.219 3.943 5.374 1.00 13.92 ? 6 ASN A O 1 +ATOM 43 C CB . ASN A 1 6 ? 7.065 3.016 2.993 1.00 12.13 ? 6 ASN A CB 1 +ATOM 44 C CG . ASN A 1 6 ? 5.961 2.735 2.003 1.00 12.77 ? 6 ASN A CG 1 +ATOM 45 O OD1 . ASN A 1 6 ? 5.798 1.604 1.551 1.00 14.27 ? 6 ASN A OD1 1 +ATOM 46 N ND2 . ASN A 1 6 ? 5.195 3.747 1.679 1.00 10.07 ? 6 ASN A ND2 1 +ATOM 47 N N . TYR A 1 7 ? 8.292 1.817 6.147 1.00 14.70 ? 7 TYR A N 1 +ATOM 48 C CA . TYR A 1 7 ? 9.159 2.144 7.299 1.00 15.18 ? 7 TYR A CA 1 +ATOM 49 C C . TYR A 1 7 ? 10.603 2.331 6.885 1.00 15.91 ? 7 TYR A C 1 +ATOM 50 O O . TYR A 1 7 ? 11.041 1.811 5.855 1.00 15.76 ? 7 TYR A O 1 +ATOM 51 C CB . TYR A 1 7 ? 9.061 1.065 8.369 1.00 15.35 ? 7 TYR A CB 1 +ATOM 52 C CG . TYR A 1 7 ? 7.665 0.929 8.902 1.00 14.45 ? 7 TYR A CG 1 +ATOM 53 C CD1 . TYR A 1 7 ? 6.771 0.021 8.327 1.00 15.68 ? 7 TYR A CD1 1 +ATOM 54 C CD2 . TYR A 1 7 ? 7.210 1.756 9.920 1.00 14.80 ? 7 TYR A CD2 1 +ATOM 55 C CE1 . TYR A 1 7 ? 5.480 -0.094 8.796 1.00 13.46 ? 7 TYR A CE1 1 +ATOM 56 C CE2 . TYR A 1 7 ? 5.904 1.649 10.416 1.00 14.33 ? 7 TYR A CE2 1 +ATOM 57 C CZ . TYR A 1 7 ? 5.047 0.729 9.831 1.00 15.09 ? 7 TYR A CZ 1 +ATOM 58 O OH . TYR A 1 7 ? 3.766 0.589 10.291 1.00 14.39 ? 7 TYR A OH 1 +ATOM 59 O OXT . TYR A 1 7 ? 11.358 2.999 7.612 1.00 17.49 ? 7 TYR A OXT 1 +HETATM 60 O O . HOH B 2 . ? -6.471 5.227 7.124 1.00 22.62 ? 8 HOH A O 1 +HETATM 61 O O . HOH B 2 . ? 10.431 1.858 3.216 1.00 19.71 ? 9 HOH A O 1 +HETATM 62 O O . HOH B 2 . ? -11.286 1.756 -1.468 1.00 17.08 ? 10 HOH A O 1 +HETATM 63 O O . HOH B 2 . ? 11.808 4.179 9.970 1.00 23.99 ? 11 HOH A O 1 +HETATM 64 O O . HOH B 2 . ? 13.605 1.327 9.198 1.00 26.17 ? 12 HOH A O 1 +HETATM 65 O O . HOH B 2 . ? -2.749 3.429 10.024 1.00 39.15 ? 13 HOH A O 1 +HETATM 66 O O . HOH B 2 . ? -1.500 0.682 10.967 1.00 43.49 ? 14 HOH A O 1 +# From 9ffb6f2afc8bc60398ec2640c807193f9323f099 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 20 Feb 2025 23:39:58 +0100 Subject: [PATCH 035/133] add mmcif with invalid atom type --- .../MDAnalysisTests/coordinates/test_mmcif.py | 18 +++++++++--------- .../data/mmcif/1YJP_invalid.cif | 6 +++--- .../MDAnalysisTests/topology/test_mmcif.py | 5 +++++ 3 files changed, 17 insertions(+), 12 deletions(-) diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py index 10b01f465c3..1d0f2a8e4fa 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -3,26 +3,26 @@ import MDAnalysis as mda import numpy as np import pytest -from numpy.testing import ( - assert_allclose, - assert_almost_equal, - assert_array_almost_equal, - assert_equal, -) +from MDAnalysis.coordinates.MMCIF import HAS_GEMMI from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER -from MDAnalysis.coordinates.MMCIF import HAS_GEMMI @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") -@pytest.mark.parametrize("mmcif_filename", glob.glob(f"{MMCIF_FOLDER}/*.cif*")) +@pytest.mark.parametrize( + "mmcif_filename", + [f for f in glob.glob(f"{MMCIF_FOLDER}/*.cif*") if "invalid" not in f], +) def test_works_with_explicit_format(mmcif_filename): u = mda.Universe(mmcif_filename, format="MMCIF") assert u.trajectory.n_atoms > 0 @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") -@pytest.mark.parametrize("mmcif_filename", glob.glob(f"{MMCIF_FOLDER}/*.cif*")) +@pytest.mark.parametrize( + "mmcif_filename", + [f for f in glob.glob(f"{MMCIF_FOLDER}/*.cif*") if "invalid" not in f], +) def test_works_without_explicit_format(mmcif_filename): u = mda.Universe(mmcif_filename) assert u.trajectory.n_atoms > 0 diff --git a/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif b/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif index 8ab699ebdae..5076c5ac886 100644 --- a/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif +++ b/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif @@ -744,7 +744,7 @@ _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num -ATOM 1 N N . GLY A 1 1 ? -9.009 4.612 6.102 1.00 16.77 ? 1 GLY A N 1 +ATOM 1 X X . GLY A 1 1 ? -9.009 4.612 6.102 1.00 16.77 ? 1 GLY A X 1 ATOM 2 C CA . GLY A 1 1 ? -9.052 4.207 4.651 1.00 16.57 ? 1 GLY A CA 1 ATOM 3 C C . GLY A 1 1 ? -8.015 3.140 4.419 1.00 16.16 ? 1 GLY A C 1 ATOM 4 O O . GLY A 1 1 ? -7.523 2.521 5.381 1.00 16.78 ? 1 GLY A O 1 @@ -790,8 +790,8 @@ ATOM 43 C CB . ASN A 1 6 ? 7.065 3.016 2.993 1.00 12.13 ? 6 ASN A CB 1 ATOM 44 C CG . ASN A 1 6 ? 5.961 2.735 2.003 1.00 12.77 ? 6 ASN A CG 1 ATOM 45 O OD1 . ASN A 1 6 ? 5.798 1.604 1.551 1.00 14.27 ? 6 ASN A OD1 1 ATOM 46 N ND2 . ASN A 1 6 ? 5.195 3.747 1.679 1.00 10.07 ? 6 ASN A ND2 1 -ATOM 47 N N . TYR A 1 7 ? 8.292 1.817 6.147 1.00 14.70 ? 7 TYR A N 1 -ATOM 48 C CA . TYR A 1 7 ? 9.159 2.144 7.299 1.00 15.18 ? 7 TYR A CA 1 +WRONG 47 N N . TYR A 1 7 ? 8.292 1.817 6.147 1.00 14.70 ? 7 TYR A N 1 +WRONG 48 C CA . TYR A 1 7 ? 9.159 2.144 7.299 1.00 15.18 ? 7 TYR A CA 1 ATOM 49 C C . TYR A 1 7 ? 10.603 2.331 6.885 1.00 15.91 ? 7 TYR A C 1 ATOM 50 O O . TYR A 1 7 ? 11.041 1.811 5.855 1.00 15.76 ? 7 TYR A O 1 ATOM 51 C CB . TYR A 1 7 ? 9.061 1.065 8.369 1.00 15.35 ? 7 TYR A CB 1 diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 3ad09c89407..3fc981473f5 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -43,3 +43,8 @@ def test_sequence(mmcif_filename, sequence): for res in u.select_atoms("protein and chainid A").residues ] assert in_structure == sequence, ":".join(in_structure) + + +def test_wrong_format(): + with pytest.raises(ValueError): + mda.Universe(f"{MMCIF_FOLDER}/1YJP_invalid.cif") From fcfc6c08e28612cc7b7642aaf652e4049085ef01 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 20 Feb 2025 23:46:11 +0100 Subject: [PATCH 036/133] add biopython cif and fix invalid cif formatting --- .../MDAnalysisTests/data/mmcif/1YJP_invalid.cif | 2 +- .../MDAnalysisTests/data/mmcif/custom.cif.gz | Bin 0 -> 11385 bytes 2 files changed, 1 insertion(+), 1 deletion(-) create mode 100644 testsuite/MDAnalysisTests/data/mmcif/custom.cif.gz diff --git a/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif b/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif index 5076c5ac886..21d794ab907 100644 --- a/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif +++ b/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif @@ -744,7 +744,7 @@ _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num -ATOM 1 X X . GLY A 1 1 ? -9.009 4.612 6.102 1.00 16.77 ? 1 GLY A X 1 +ATOM 1 X X . GLY A 1 1 ? -9.009 4.612 6.102 1.00 16.77 ? 1 GLY A X 1 ATOM 2 C CA . GLY A 1 1 ? -9.052 4.207 4.651 1.00 16.57 ? 1 GLY A CA 1 ATOM 3 C C . GLY A 1 1 ? -8.015 3.140 4.419 1.00 16.16 ? 1 GLY A C 1 ATOM 4 O O . 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[1] Westbrook, J. D. and Bourne, P. E. `Star/mmCIF: An extensive - ontology for macromolecular structure and beyond.` - *Bioinformatics* (2000) **16**: 159-168. -.. [2] `project-gemmi/gemmi `_ -- library for structural biology in C++11/Python - -See Also --------- -:mod:`MDAnalysis.topology.PDBParser` - For the PDB equivalent of this parser. - -.. versionadded:: 2.8.0 + +.. versionadded:: 2.9.0 """ try: From 236b286d629b88f39a9bc5b6f6374e1ea6d1da89 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 20 Feb 2025 23:53:31 +0100 Subject: [PATCH 038/133] fix fstring --- package/MDAnalysis/topology/MMCIFParser.py | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 9e640bde289..e279ec156bb 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -175,9 +175,7 @@ def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: for record in record_types ] if any((elem is None for elem in record_types)): - raise ValueError( - "Found an atom that is neither ATOM or HETATM" - ) # FIXME: add tests for this + raise ValueError("Found an atom that is neither ATOM or HETATM") attrs = [ AltLocs(altlocs), @@ -307,7 +305,7 @@ def parse(self, **kwargs) -> Topology: if len(structure) > 1: warnings.warn( # FIXME: add tests for this - "MMCIF model {self.filename} contains {len(model)=} different models, " + f"MMCIF model {self.filename} contains {len(structure)=} different models, " "but only the first one will be used to assign the topology" ) model = structure[0] From b562115bfbe694985d02b63eebe4d78b5da654ca Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 20 Feb 2025 23:54:40 +0100 Subject: [PATCH 039/133] replace version to 2.9.0 --- package/MDAnalysis/coordinates/MMCIF.py | 2 +- package/MDAnalysis/topology/MMCIFParser.py | 8 ++++---- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 26718f56e93..616044ddbb1 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -107,7 +107,7 @@ class MMCIFReader(base.SingleFrameReaderBase): is read here (and a warning is thrown). Also, if the structure has a placeholder "CRYST1" record (1, 1, 1, 90, 90, 90), it's set to ``None`` instead. - .. versionadded:: 2.8.0 + .. versionadded:: 2.9.0 """ format = ["cif", "cif.gz", "mmcif"] diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index e279ec156bb..5b46b78c7a3 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -86,7 +86,7 @@ def _into_idx(arr: list) -> list[int]: ------- list[int] -- array where these elements are replaced with their unique indices, in order of appearance. - .. versionadded:: 2.8.0 + .. versionadded:: 2.9.0 """ return [ idx @@ -113,7 +113,7 @@ def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: ValueError if any of the records is neither 'ATOM' nor 'HETATM' - .. versionadded:: 2.8.0 + .. versionadded:: 2.9.0 """ ( altlocs, # at.altloc @@ -211,7 +211,7 @@ def get_Residueattrs( ------- tuple[list[ResidueAttr], np.ndarray] -- first element is list of all extracted attributes, second element is `segidx` - .. versionadded:: 2.8.0 + .. versionadded:: 2.9.0 """ ( icodes, # residue.seqid.icode @@ -259,7 +259,7 @@ def get_Segmentattrs(model: "gemmi.Model") -> list[SegmentAttr]: ------- list[SegmentAttr] -- list of all extracted attributes - .. versionadded:: 2.8.0 + .. versionadded:: 2.9.0 """ segids = [chain.name for chain in model] return [Segids(segids)] From 92ae16450fb66ccd1f489e9f2eb247eb34df6c7c Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 20 Feb 2025 23:59:55 +0100 Subject: [PATCH 040/133] update changelog --- package/CHANGELOG | 2 ++ 1 file changed, 2 insertions(+) diff --git a/package/CHANGELOG b/package/CHANGELOG index 2d274537769..21164f656ee 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -27,6 +27,8 @@ Fixes the function to prevent shared state. (Issue #4655) Enhancements + * Implementation of PDBx/MMCIF coordinate and topology reader based on + `gemmi` library (Issue #2367) * Improve distopia backend support in line with new functionality available in distopia >= 0.3.1 (PR #4734) * Addition of 'water' token for water selection (Issue #4839) From 88c64a34856646ae23f6d82a7e5edcf4dfbdc413 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 21 Feb 2025 00:16:51 +0100 Subject: [PATCH 041/133] move gemmi to optional deps --- .github/actions/setup-deps/action.yaml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/actions/setup-deps/action.yaml b/.github/actions/setup-deps/action.yaml index c17cd9868c8..d43982ad8ee 100644 --- a/.github/actions/setup-deps/action.yaml +++ b/.github/actions/setup-deps/action.yaml @@ -23,8 +23,6 @@ inputs: default: 'cython' fasteners: default: 'fasteners' - gemmi: - default: 'gemmi' griddataformats: default: 'griddataformats' gsd: @@ -62,6 +60,8 @@ inputs: default: 'dask' distopia: default: 'distopia>=0.4.0' + gemmi: + default: 'gemmi' h5py: default: 'h5py>=2.10' hole2: From 59b7e2902b6835002e5a2654aaa61cec79d0c0fb Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 21 Feb 2025 00:34:22 +0100 Subject: [PATCH 042/133] fix issue with accidentally updated datafiles --- testsuite/MDAnalysisTests/datafiles.py | 88 ++++++++++++++----- .../MDAnalysisTests/topology/test_mmcif.py | 1 + 2 files changed, 68 insertions(+), 21 deletions(-) diff --git a/testsuite/MDAnalysisTests/datafiles.py b/testsuite/MDAnalysisTests/datafiles.py index b7579b2ec49..ca33ff98b80 100644 --- a/testsuite/MDAnalysisTests/datafiles.py +++ b/testsuite/MDAnalysisTests/datafiles.py @@ -132,6 +132,7 @@ "TPR2022RC1", "TPR2023", "TPR2024", + "TPR2024_4", "TPR510_bonded", "TPR2016_bonded", "TPR2018_bonded", @@ -145,6 +146,7 @@ "TPR334_bonded", "TPR2023_bonded", "TPR2024_bonded", + "TPR2024_4_bonded", "TPR_EXTRA_2021", "TPR_EXTRA_2020", "TPR_EXTRA_2018", @@ -153,6 +155,7 @@ "TPR_EXTRA_2022RC1", "TPR_EXTRA_2023", "TPR_EXTRA_2024", + "TPR_EXTRA_2024_4", "PDB_sub_sol", "PDB_sub_dry", # TRRReader sub selection "TRR_sub_sol", @@ -314,7 +317,6 @@ "AUX_EDR_RAW", "AUX_EDR_SINGLE_FRAME", # for testing .edr auxiliary reader "MMTF", - "MMCIF", "MMTF_gz", "MMTF_skinny", # skinny - some optional fields stripped out "MMTF_skinny2", @@ -385,7 +387,9 @@ _data_ref = resources.files("MDAnalysisTests.data") -WIN_PDB_multiframe = (_data_ref / "windows/WIN_nmr_neopetrosiamide.pdb").as_posix() +WIN_PDB_multiframe = ( + _data_ref / "windows/WIN_nmr_neopetrosiamide.pdb" +).as_posix() WIN_DLP_HISTORY = (_data_ref / "windows/WIN_HISTORY").as_posix() WIN_TRJ = (_data_ref / "windows/WIN_ache.mdcrd").as_posix() WIN_ARC = (_data_ref / "windows/WIN_test.arc").as_posix() @@ -434,7 +438,9 @@ PSF_NAMD = (_data_ref / "namd_cgenff.psf").as_posix() PDB_NAMD = (_data_ref / "namd_cgenff.pdb").as_posix() -PDB_multipole = (_data_ref / "water_methane_acetic-acid_ammonia.pdb").as_posix() +PDB_multipole = ( + _data_ref / "water_methane_acetic-acid_ammonia.pdb" +).as_posix() PSF_NAMD_TRICLINIC = (_data_ref / "SiN_tric_namd.psf").as_posix() DCD_NAMD_TRICLINIC = (_data_ref / "SiN_tric_namd.dcd").as_posix() PSF_NAMD_GBIS = (_data_ref / "adk_closed_NAMD.psf").as_posix() @@ -448,6 +454,7 @@ PDB_varying = (_data_ref / "varying_occ_tmp.pdb").as_posix() PDB_small = (_data_ref / "adk_open.pdb").as_posix() +PDB_xsmall = (_data_ref / "adk_open_10res.pdb").as_posix() PDB_closed = (_data_ref / "adk_closed.pdb").as_posix() ALIGN = (_data_ref / "align.pdb").as_posix() @@ -461,7 +468,9 @@ PDB_mc_gz = (_data_ref / "model_then_cryst.pdb.gz").as_posix() PDB_mc_bz2 = (_data_ref / "model_then_cryst.pdb.bz2").as_posix() PDB_chainidnewres = (_data_ref / "chainIDnewres.pdb.gz").as_posix() -PDB_sameresid_diffresname = (_data_ref / "sameresid_diffresname.pdb").as_posix() +PDB_sameresid_diffresname = ( + _data_ref / "sameresid_diffresname.pdb" +).as_posix() PDB_chainidrepeat = (_data_ref / "chainIDrepeat.pdb.gz").as_posix() PDB_multiframe = (_data_ref / "nmr_neopetrosiamide.pdb").as_posix() PDB_helix = (_data_ref / "A6PA6_alpha.pdb").as_posix() @@ -479,7 +488,9 @@ GRO_large = (_data_ref / "bigbox.gro.bz2").as_posix() GRO_residwrap = (_data_ref / "residwrap.gro").as_posix() GRO_residwrap_0base = (_data_ref / "residwrap_0base.gro").as_posix() -GRO_sameresid_diffresname = (_data_ref / "sameresid_diffresname.gro").as_posix() +GRO_sameresid_diffresname = ( + _data_ref / "sameresid_diffresname.gro" +).as_posix() PDB = (_data_ref / "adk_oplsaa.pdb").as_posix() XTC = (_data_ref / "adk_oplsaa.xtc").as_posix() TRR = (_data_ref / "adk_oplsaa.trr").as_posix() @@ -491,12 +502,20 @@ PDB_xlserial = (_data_ref / "xl_serial.pdb").as_posix() GRO_MEMPROT = (_data_ref / "analysis/YiiP_lipids.gro.gz").as_posix() XTC_MEMPROT = (_data_ref / "analysis/YiiP_lipids.xtc").as_posix() -XTC_multi_frame = (_data_ref / "xtc_test_only_10_frame_10_atoms.xtc").as_posix() -TRR_multi_frame = (_data_ref / "trr_test_only_10_frame_10_atoms.trr").as_posix() +XTC_multi_frame = ( + _data_ref / "xtc_test_only_10_frame_10_atoms.xtc" +).as_posix() +TRR_multi_frame = ( + _data_ref / "trr_test_only_10_frame_10_atoms.trr" +).as_posix() TNG_traj = (_data_ref / "argon_npt_compressed.tng").as_posix() TNG_traj_gro = (_data_ref / "argon_npt_compressed.gro.gz").as_posix() -TNG_traj_uneven_blocks = (_data_ref / "argon_npt_compressed_uneven.tng").as_posix() -TNG_traj_vels_forces = (_data_ref / "argon_npt_compressed_vels_forces.tng").as_posix() +TNG_traj_uneven_blocks = ( + _data_ref / "argon_npt_compressed_uneven.tng" +).as_posix() +TNG_traj_vels_forces = ( + _data_ref / "argon_npt_compressed_vels_forces.tng" +).as_posix() PDB_xvf = (_data_ref / "cobrotoxin.pdb").as_posix() TPR_xvf = (_data_ref / "cobrotoxin.tpr").as_posix() TRR_xvf = (_data_ref / "cobrotoxin.trr").as_posix() @@ -533,6 +552,7 @@ TPR2022RC1 = (_data_ref / "tprs/2lyz_gmx_2022-rc1.tpr").as_posix() TPR2023 = (_data_ref / "tprs/2lyz_gmx_2023.tpr").as_posix() TPR2024 = (_data_ref / "tprs/2lyz_gmx_2024.tpr").as_posix() +TPR2024_4 = (_data_ref / "tprs/2lyz_gmx_2024_4.tpr").as_posix() # double precision TPR455Double = (_data_ref / "tprs/drew_gmx_4.5.5.double.tpr").as_posix() TPR460 = (_data_ref / "tprs/ab42_gmx_4.6.tpr").as_posix() @@ -544,16 +564,30 @@ TPR510_bonded = (_data_ref / "tprs/all_bonded/dummy_5.1.tpr").as_posix() TPR2016_bonded = (_data_ref / "tprs/all_bonded/dummy_2016.tpr").as_posix() TPR2018_bonded = (_data_ref / "tprs/all_bonded/dummy_2018.tpr").as_posix() -TPR2019B3_bonded = (_data_ref / "tprs/all_bonded/dummy_2019-beta3.tpr").as_posix() -TPR2020B2_bonded = (_data_ref / "tprs/all_bonded/dummy_2020-beta2.tpr").as_posix() +TPR2019B3_bonded = ( + _data_ref / "tprs/all_bonded/dummy_2019-beta3.tpr" +).as_posix() +TPR2020B2_bonded = ( + _data_ref / "tprs/all_bonded/dummy_2020-beta2.tpr" +).as_posix() TPR2020_bonded = (_data_ref / "tprs/all_bonded/dummy_2020.tpr").as_posix() -TPR2020_double_bonded = (_data_ref / "tprs/all_bonded/dummy_2020_double.tpr").as_posix() +TPR2020_double_bonded = ( + _data_ref / "tprs/all_bonded/dummy_2020_double.tpr" +).as_posix() TPR2021_bonded = (_data_ref / "tprs/all_bonded/dummy_2021.tpr").as_posix() -TPR2021_double_bonded = (_data_ref / "tprs/all_bonded/dummy_2021_double.tpr").as_posix() -TPR2022RC1_bonded = (_data_ref / "tprs/all_bonded/dummy_2022-rc1.tpr").as_posix() +TPR2021_double_bonded = ( + _data_ref / "tprs/all_bonded/dummy_2021_double.tpr" +).as_posix() +TPR2022RC1_bonded = ( + _data_ref / "tprs/all_bonded/dummy_2022-rc1.tpr" +).as_posix() TPR2023_bonded = (_data_ref / "tprs/all_bonded/dummy_2023.tpr").as_posix() TPR2024_bonded = (_data_ref / "tprs/all_bonded/dummy_2024.tpr").as_posix() +TPR2024_4_bonded = (_data_ref / "tprs/all_bonded/dummy_2024_4.tpr").as_posix() # all interactions +TPR_EXTRA_2024_4 = ( + _data_ref / "tprs/virtual_sites/extra-interactions-2024_4.tpr" +).as_posix() TPR_EXTRA_2024 = ( _data_ref / "tprs/virtual_sites/extra-interactions-2024.tpr" ).as_posix() @@ -720,7 +754,9 @@ LAMMPSDUMP_chain1 = (_data_ref / "lammps/chain_dump_1.lammpstrj").as_posix() LAMMPSDUMP_chain2 = (_data_ref / "lammps/chain_dump_2.lammpstrj").as_posix() LAMMPS_chain = (_data_ref / "lammps/chain_initial.data").as_posix() -LAMMPSdata_many_bonds = (_data_ref / "lammps/a_lot_of_bond_types.data").as_posix() +LAMMPSdata_many_bonds = ( + _data_ref / "lammps/a_lot_of_bond_types.data" +).as_posix() LAMMPSdata_additional_columns = ( _data_ref / "lammps/additional_columns.data" ).as_posix() @@ -789,11 +825,21 @@ TRC_TRAJ2_VAC = (_data_ref / "gromos11/gromos11_traj_vac_2.trc.gz").as_posix() TRC_PDB_SOLV = (_data_ref / "gromos11/gromos11_traj_solv.pdb.gz").as_posix() TRC_TRAJ_SOLV = (_data_ref / "gromos11/gromos11_traj_solv.trc.gz").as_posix() -TRC_CLUSTER_VAC = (_data_ref / "gromos11/gromos11_cluster_vac.trj.gz").as_posix() -TRC_TRICLINIC_SOLV = (_data_ref / "gromos11/gromos11_triclinic_solv.trc.gz").as_posix() -TRC_TRUNCOCT_VAC = (_data_ref / "gromos11/gromos11_truncOcta_vac.trc.gz").as_posix() -TRC_GENBOX_ORIGIN = (_data_ref / "gromos11/gromos11_genbox_origin.trc.gz").as_posix() -TRC_GENBOX_EULER = (_data_ref / "gromos11/gromos11_genbox_euler.trc.gz").as_posix() +TRC_CLUSTER_VAC = ( + _data_ref / "gromos11/gromos11_cluster_vac.trj.gz" +).as_posix() +TRC_TRICLINIC_SOLV = ( + _data_ref / "gromos11/gromos11_triclinic_solv.trc.gz" +).as_posix() +TRC_TRUNCOCT_VAC = ( + _data_ref / "gromos11/gromos11_truncOcta_vac.trc.gz" +).as_posix() +TRC_GENBOX_ORIGIN = ( + _data_ref / "gromos11/gromos11_genbox_origin.trc.gz" +).as_posix() +TRC_GENBOX_EULER = ( + _data_ref / "gromos11/gromos11_genbox_euler.trc.gz" +).as_posix() TRC_EMPTY = (_data_ref / "gromos11/gromos11_empty.trc").as_posix() DihedralArray = (_data_ref / "adk_oplsaa_dihedral.npy").as_posix() @@ -835,7 +881,7 @@ # DSSP testing: from https://github.com/ShintaroMinami/PyDSSP DSSP = (_data_ref / "dssp").as_posix() -# MMCIF testing -- valid structures from RCSB +# MMCIF data: valid structures from RCSB and generated by Biopython MMCIF = (_data_ref / "mmcif").as_posix() # This should be the last line: clean up namespace diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 3fc981473f5..45217a41cef 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -45,6 +45,7 @@ def test_sequence(mmcif_filename, sequence): assert in_structure == sequence, ":".join(in_structure) +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") def test_wrong_format(): with pytest.raises(ValueError): mda.Universe(f"{MMCIF_FOLDER}/1YJP_invalid.cif") From f2c23c86e81e949ceedc6f459505f185a88334f3 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 21 Feb 2025 01:05:29 +0100 Subject: [PATCH 043/133] add mmcif to all --- testsuite/MDAnalysisTests/datafiles.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/testsuite/MDAnalysisTests/datafiles.py b/testsuite/MDAnalysisTests/datafiles.py index ca33ff98b80..53c357566d1 100644 --- a/testsuite/MDAnalysisTests/datafiles.py +++ b/testsuite/MDAnalysisTests/datafiles.py @@ -380,10 +380,10 @@ "SURFACE_PDB", # 111 FCC lattice topology for NSGrid bug #2345 "SURFACE_TRR", # full precision coordinates for NSGrid bug #2345 "DSSP", # DSSP test suite + "MMCIF", # MMCIF test suite ] from importlib import resources -import MDAnalysisTests.data _data_ref = resources.files("MDAnalysisTests.data") From 776676ee6acda07b772c185f67054384d3e8e35c Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 22 May 2024 20:04:49 +0200 Subject: [PATCH 044/133] Start working on MMCIF parser --- package/MDAnalysis/topology/MMCIFParser.py | 150 +++++++++++++++++++++ package/MDAnalysis/topology/__init__.py | 1 + 2 files changed, 151 insertions(+) create mode 100644 package/MDAnalysis/topology/MMCIFParser.py diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py new file mode 100644 index 00000000000..5c155ec3c79 --- /dev/null +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -0,0 +1,150 @@ +# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- +# vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 +# +# MDAnalysis --- https://www.mdanalysis.org +# Copyright (c) 2006-2017 The MDAnalysis Development Team and contributors +# (see the file AUTHORS for the full list of names) +# +# Released under the GNU Public Licence, v2 or any higher version +# +# Please cite your use of MDAnalysis in published work: +# +# R. J. Gowers, M. Linke, J. Barnoud, T. J. E. Reddy, M. N. Melo, S. L. Seyler, +# D. L. Dotson, J. Domanski, S. Buchoux, I. M. Kenney, and O. Beckstein. +# MDAnalysis: A Python package for the rapid analysis of molecular dynamics +# simulations. In S. Benthall and S. Rostrup editors, Proceedings of the 15th +# Python in Science Conference, pages 102-109, Austin, TX, 2016. SciPy. +# doi: 10.25080/majora-629e541a-00e +# +# N. Michaud-Agrawal, E. J. Denning, T. B. Woolf, and O. Beckstein. +# MDAnalysis: A Toolkit for the Analysis of Molecular Dynamics Simulations. +# J. Comput. Chem. 32 (2011), 2319--2327, doi:10.1002/jcc.21787 +# TODO + +""" +MMCIF Topology Parser # TODO +=================== + +.. versionadded:: 0.9.1 + +Reads an xyz file and pulls the atom information from it. Because +xyz only has atom name information, all information about residues +and segments won't be populated. + +Classes +------- + +.. autoclass:: XYZParser + :members: + +""" + +from .base import TopologyReaderBase +from ..core.topology import Topology +from ..core.topologyattrs import ( + Atomnames, + Atomids, + AltLocs, + ChainIDs, + Atomtypes, + Elements, + ICodes, + Masses, + Occupancies, + RecordTypes, + Resids, + Resnames, + Segids, + Tempfactors, + FormalCharges, +) + + +class MMCIFParser(TopologyReaderBase): + """Parse a list of atoms from an XYZ file. + + Creates the following attributes: + - Atomnames + - TODO + + + .. versionadded:: 2.8.0 + """ + + format = "MMCIF" + + def parse(self, **kwargs): + """Read the file and return the structure. + + Returns + ------- + MDAnalysis Topology object + """ + import gemmi + + structure = gemmi.read_structure(self.filename) + + ( + names, + atomtypes, + record_types, + serials, + altlocs, + chainids, + icodes, + tempfactors, + occupancies, + resids, + resnames, + segids, + elements, + formalcharges, + weights, + ) = list(zip(*[ + ( + at.name, + at.element.name, + res.het_flag, + at.serial, + at.altloc, + chain.name, + res.seqid.icode, + at.b_iso, + at.occ, + res.label_seq, + res.name, + res.segment, + at.element.name, + at.charge, + at.element.weight, + ) + for model in structure + for chain in model + for res in chain + for at in res + ])) + + print(resids) + + attrs = [ + Atomnames(names), + Atomtypes(atomtypes), + RecordTypes(record_types), + Atomids(serials), + AltLocs(altlocs), + ChainIDs(chainids), + ICodes(icodes), + Tempfactors(tempfactors), + Occupancies(occupancies), + Resids(resids), + Resnames(resnames), + Segids(segids), + Elements(elements), + FormalCharges(formalcharges), + Masses(weights), + ] + + n_atoms = n_residues = n_segments = 1 + top = Topology(n_atoms, n_residues, n_segments, attrs=attrs) + + return top diff --git a/package/MDAnalysis/topology/__init__.py b/package/MDAnalysis/topology/__init__.py index 951567ec615..71e8c7fd895 100644 --- a/package/MDAnalysis/topology/__init__.py +++ b/package/MDAnalysis/topology/__init__.py @@ -332,3 +332,4 @@ from . import MinimalParser from . import ITPParser from . import FHIAIMSParser +from . import MMCIFParser \ No newline at end of file From 71e60f42e6d301cfb65d2877a5d558801d6bb871 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 22 May 2024 22:24:38 +0200 Subject: [PATCH 045/133] Add first (not working) version of MMCIFReader and MMCIF topology parser --- package/MDAnalysis/coordinates/MMCIF.py | 37 ++++++++++++ package/MDAnalysis/coordinates/__init__.py | 1 + package/MDAnalysis/topology/MMCIFParser.py | 68 ++++++++++++---------- 3 files changed, 75 insertions(+), 31 deletions(-) create mode 100644 package/MDAnalysis/coordinates/MMCIF.py diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py new file mode 100644 index 00000000000..c896f98c62a --- /dev/null +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -0,0 +1,37 @@ +import numpy as np +import gemmi +import logging +from . import base + +logger = logging.getLogger("MDAnalysis.coordinates.MMCIF") + + +class MMCIFReader(base.SingleFrameReaderBase): + """Reads from an MMCIF file""" + + format = "MMCIF" + units = {"time": None, "length": "Angstrom"} + + def _read_first_frame(self): + structure = gemmi.read_structure(self.filename) + coords = np.array( + [ + [*at.pos.tolist()] + for model in structure + for chain in model + for res in chain + for at in res + ] + ) + self.n_atoms = len(coords) + self.ts = self._Timestep.from_coordinates(coords, **self._ts_kwargs) + self.ts.frame = 0 + + def Writer(self, filename, n_atoms=None, **kwargs): + raise NotImplementedError + + def close(self): + pass + + +class MMCIFWriter(base.WriterBase): ... diff --git a/package/MDAnalysis/coordinates/__init__.py b/package/MDAnalysis/coordinates/__init__.py index 602621e5ad3..b3a5b51b195 100644 --- a/package/MDAnalysis/coordinates/__init__.py +++ b/package/MDAnalysis/coordinates/__init__.py @@ -791,3 +791,4 @@ class can choose an appropriate reader automatically. from . import NAMDBIN from . import FHIAIMS from . import TNG +from . import MMCIF \ No newline at end of file diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 5c155ec3c79..7d47a2d0629 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -48,13 +48,13 @@ ChainIDs, Atomtypes, Elements, - ICodes, + # ICodes, Masses, Occupancies, RecordTypes, Resids, Resnames, - Segids, + # Segids, Tempfactors, FormalCharges, ) @@ -84,6 +84,8 @@ def parse(self, **kwargs): structure = gemmi.read_structure(self.filename) + # here we freaking go + ( names, atomtypes, @@ -91,40 +93,42 @@ def parse(self, **kwargs): serials, altlocs, chainids, - icodes, + # icodes, tempfactors, occupancies, resids, resnames, - segids, + # segids, elements, formalcharges, weights, - ) = list(zip(*[ - ( - at.name, - at.element.name, - res.het_flag, - at.serial, - at.altloc, - chain.name, - res.seqid.icode, - at.b_iso, - at.occ, - res.label_seq, - res.name, - res.segment, - at.element.name, - at.charge, - at.element.weight, + ) = list( + zip( + *[ + ( + at.name, # names + at.element.name, # atomtypes + res.het_flag, # record_types + at.serial, # serials + at.altloc, # altlocs + chain.name, # chainids + # res.seqid.icode, # icodes + at.b_iso, # tempfactores + at.occ, # occupancies + res.seqid.num, # resids + res.name, # resnames + # res.segment, # segids + at.element.name, # elements + at.charge, # formalcharges + at.element.weight, # weights + ) + for model in structure + for chain in model + for res in chain + for at in res + ] ) - for model in structure - for chain in model - for res in chain - for at in res - ])) - - print(resids) + ) attrs = [ Atomnames(names), @@ -133,18 +137,20 @@ def parse(self, **kwargs): Atomids(serials), AltLocs(altlocs), ChainIDs(chainids), - ICodes(icodes), + # ICodes(icodes), Tempfactors(tempfactors), Occupancies(occupancies), Resids(resids), Resnames(resnames), - Segids(segids), + # Segids(segids), Elements(elements), FormalCharges(formalcharges), Masses(weights), ] - n_atoms = n_residues = n_segments = 1 + n_atoms = len(names) + n_residues = len(resids) + n_segments = 1 top = Topology(n_atoms, n_residues, n_segments, attrs=attrs) return top From 36b71258aa517e77b39a8d852f14bfef4616fa74 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 22 May 2024 22:57:40 +0200 Subject: [PATCH 046/133] Do some squashing --- package/MDAnalysis/topology/MMCIFParser.py | 132 +++++++++++++-------- 1 file changed, 82 insertions(+), 50 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 7d47a2d0629..d7e8b431dd1 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -39,7 +39,8 @@ """ -from .base import TopologyReaderBase +import numpy as np +from .base import TopologyReaderBase, change_squash from ..core.topology import Topology from ..core.topologyattrs import ( Atomnames, @@ -48,13 +49,13 @@ ChainIDs, Atomtypes, Elements, - # ICodes, + ICodes, Masses, Occupancies, RecordTypes, Resids, Resnames, - # Segids, + Segids, Tempfactors, FormalCharges, ) @@ -85,72 +86,103 @@ def parse(self, **kwargs): structure = gemmi.read_structure(self.filename) # here we freaking go - ( - names, + # atom properties -- no squashing! + # -- + altlocs, atomtypes, - record_types, + elements, + formalcharges, + names, serials, - altlocs, - chainids, - # icodes, tempfactors, occupancies, + weights, + # -- + # residue properties -- some squashing... + # -- + icodes, + record_types, resids, resnames, - # segids, - elements, - formalcharges, - weights, - ) = list( - zip( - *[ - ( - at.name, # names - at.element.name, # atomtypes - res.het_flag, # record_types - at.serial, # serials - at.altloc, # altlocs - chain.name, # chainids - # res.seqid.icode, # icodes - at.b_iso, # tempfactores - at.occ, # occupancies - res.seqid.num, # resids - res.name, # resnames - # res.segment, # segids - at.element.name, # elements - at.charge, # formalcharges - at.element.weight, # weights - ) - for model in structure - for chain in model - for res in chain - for at in res - ] + segids, + # -- + # chain properties -- lots of squashing... + # -- + chainids, + ) = map( + np.array, + list( + zip( + *[ + ( + # atom properties -- no squashing! + # -- + at.altloc, # altlocs + at.element.name, # atomtypes + at.element.name, # elements + at.charge, # formalcharges + at.name, # names + at.serial, # serials + at.b_iso, # tempfactores + at.occ, # occupancies + at.element.weight, # weights + # -- + # residue properties -- some squashing... + # -- + res.seqid.icode, # icodes + res.het_flag, # record_types + res.seqid.num, # resids + res.name, # resnames + res.segment, # segids + # -- + # chain properties -- lots of squashing... + # -- + chain.name, # chainids + ) + for model in structure + for chain in model + for res in chain + for at in res + ] + ) + ), + ) + + # squash residue-based attributes + _, (res_icodes, res_record_types, res_resids, res_resnames, res_segids) = ( + change_squash( + (resids, resnames), + (icodes, record_types, resids, resnames, segids), ) ) + # squash chain-based attributes + _, (chain_chainids,) = change_squash((chainids,), (chainids,)) attrs = [ - Atomnames(names), + # per atom + AltLocs(altlocs), Atomtypes(atomtypes), - RecordTypes(record_types), + Elements(elements), + FormalCharges(formalcharges), + Atomnames(names), Atomids(serials), - AltLocs(altlocs), - ChainIDs(chainids), - # ICodes(icodes), Tempfactors(tempfactors), Occupancies(occupancies), - Resids(resids), - Resnames(resnames), - # Segids(segids), - Elements(elements), - FormalCharges(formalcharges), Masses(weights), + # per residue + # ICodes(res_icodes), + # RecordTypes(res_record_types), + Resids(res_resids), + Resnames(res_resnames), + Segids(res_segids), + # per chain + ChainIDs(chainids), ] n_atoms = len(names) - n_residues = len(resids) - n_segments = 1 + n_residues = len(res_resids) + n_segments = len(res_segids) top = Topology(n_atoms, n_residues, n_segments, attrs=attrs) return top From b058941f694e8bafc588525ae894f08338cb2811 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 22 May 2024 22:59:45 +0200 Subject: [PATCH 047/133] Remove inherited docs --- package/MDAnalysis/topology/MMCIFParser.py | 46 ---------------------- 1 file changed, 46 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index d7e8b431dd1..5a88ab61f2e 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -1,42 +1,6 @@ -# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- -# vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 -# -# MDAnalysis --- https://www.mdanalysis.org -# Copyright (c) 2006-2017 The MDAnalysis Development Team and contributors -# (see the file AUTHORS for the full list of names) -# -# Released under the GNU Public Licence, v2 or any higher version -# -# Please cite your use of MDAnalysis in published work: -# -# R. J. Gowers, M. Linke, J. Barnoud, T. J. E. Reddy, M. N. Melo, S. L. Seyler, -# D. L. Dotson, J. Domanski, S. Buchoux, I. M. Kenney, and O. Beckstein. -# MDAnalysis: A Python package for the rapid analysis of molecular dynamics -# simulations. In S. Benthall and S. Rostrup editors, Proceedings of the 15th -# Python in Science Conference, pages 102-109, Austin, TX, 2016. SciPy. -# doi: 10.25080/majora-629e541a-00e -# -# N. Michaud-Agrawal, E. J. Denning, T. B. Woolf, and O. Beckstein. -# MDAnalysis: A Toolkit for the Analysis of Molecular Dynamics Simulations. -# J. Comput. Chem. 32 (2011), 2319--2327, doi:10.1002/jcc.21787 -# TODO - """ MMCIF Topology Parser # TODO =================== - -.. versionadded:: 0.9.1 - -Reads an xyz file and pulls the atom information from it. Because -xyz only has atom name information, all information about residues -and segments won't be populated. - -Classes -------- - -.. autoclass:: XYZParser - :members: - """ import numpy as np @@ -62,16 +26,6 @@ class MMCIFParser(TopologyReaderBase): - """Parse a list of atoms from an XYZ file. - - Creates the following attributes: - - Atomnames - - TODO - - - .. versionadded:: 2.8.0 - """ - format = "MMCIF" def parse(self, **kwargs): From ef30fa78f8f93a848664eb550b5ac5c79c5ac1f7 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 22 May 2024 23:29:37 +0200 Subject: [PATCH 048/133] Try improving the parsing --- package/MDAnalysis/topology/MMCIFParser.py | 22 ++++++++++++---------- 1 file changed, 12 insertions(+), 10 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 5a88ab61f2e..511b137d366 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -73,7 +73,7 @@ def parse(self, **kwargs): # atom properties -- no squashing! # -- at.altloc, # altlocs - at.element.name, # atomtypes + at.name, # atomtypes at.element.name, # elements at.charge, # formalcharges at.name, # names @@ -82,7 +82,7 @@ def parse(self, **kwargs): at.occ, # occupancies at.element.weight, # weights # -- - # residue properties -- some squashing... + # residue properties # -- res.seqid.icode, # icodes res.het_flag, # record_types @@ -90,7 +90,7 @@ def parse(self, **kwargs): res.name, # resnames res.segment, # segids # -- - # chain properties -- lots of squashing... + # chain properties # -- chain.name, # chainids ) @@ -112,6 +112,7 @@ def parse(self, **kwargs): ) # squash chain-based attributes _, (chain_chainids,) = change_squash((chainids,), (chainids,)) + _, (seg_segids,) = change_squash((res_segids,), (res_segids,)) attrs = [ # per atom @@ -125,18 +126,19 @@ def parse(self, **kwargs): Occupancies(occupancies), Masses(weights), # per residue - # ICodes(res_icodes), - # RecordTypes(res_record_types), - Resids(res_resids), - Resnames(res_resnames), - Segids(res_segids), + ICodes(res_icodes), # for each atom + RecordTypes(record_types), # for atom too? + Resids(res_resids), # for residue + Resnames(res_resnames), # for residue + # + Segids(seg_segids), # for segment (currently for residue) # per chain - ChainIDs(chainids), + ChainIDs(chainids), # actually for atom ] n_atoms = len(names) n_residues = len(res_resids) - n_segments = len(res_segids) + n_segments = len(seg_segids) top = Topology(n_atoms, n_residues, n_segments, attrs=attrs) return top From 95572c1c44024b6a83b730dd4a63f09187a3b605 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 30 May 2024 12:16:02 +0200 Subject: [PATCH 049/133] Try three independent loops over the model --- package/MDAnalysis/topology/MMCIFParser.py | 73 +++++++++------------- 1 file changed, 30 insertions(+), 43 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 511b137d366..e8ec3bba07d 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -39,10 +39,8 @@ def parse(self, **kwargs): structure = gemmi.read_structure(self.filename) - # here we freaking go + # atom properties ( - # atom properties -- no squashing! - # -- altlocs, atomtypes, elements, @@ -52,26 +50,12 @@ def parse(self, **kwargs): tempfactors, occupancies, weights, - # -- - # residue properties -- some squashing... - # -- - icodes, - record_types, - resids, - resnames, - segids, - # -- - # chain properties -- lots of squashing... - # -- - chainids, ) = map( np.array, list( zip( *[ ( - # atom properties -- no squashing! - # -- at.altloc, # altlocs at.name, # atomtypes at.element.name, # elements @@ -81,39 +65,42 @@ def parse(self, **kwargs): at.b_iso, # tempfactores at.occ, # occupancies at.element.weight, # weights - # -- - # residue properties - # -- + ) + for model in structure + for chain in model + for res in chain + for at in res + ] + ) + ), + ) + # per-residue properties + ( + icodes, + record_types, + resids, + resnames, + segids, + ) = map( + np.array, + list( + zip( + *[ + ( res.seqid.icode, # icodes res.het_flag, # record_types res.seqid.num, # resids res.name, # resnames res.segment, # segids - # -- - # chain properties - # -- - chain.name, # chainids ) for model in structure for chain in model for res in chain - for at in res ] ) ), ) - # squash residue-based attributes - _, (res_icodes, res_record_types, res_resids, res_resnames, res_segids) = ( - change_squash( - (resids, resnames), - (icodes, record_types, resids, resnames, segids), - ) - ) - # squash chain-based attributes - _, (chain_chainids,) = change_squash((chainids,), (chainids,)) - _, (seg_segids,) = change_squash((res_segids,), (res_segids,)) - attrs = [ # per atom AltLocs(altlocs), @@ -126,19 +113,19 @@ def parse(self, **kwargs): Occupancies(occupancies), Masses(weights), # per residue - ICodes(res_icodes), # for each atom + ICodes(icodes), # for each atom RecordTypes(record_types), # for atom too? - Resids(res_resids), # for residue - Resnames(res_resnames), # for residue + Resids(resids), # for residue + Resnames(resnames), # for residue # - Segids(seg_segids), # for segment (currently for residue) + # Segids(segids), # for segment (currently for residue) # per chain - ChainIDs(chainids), # actually for atom + # ChainIDs(chainids), # actually for atom ] n_atoms = len(names) - n_residues = len(res_resids) - n_segments = len(seg_segids) + n_residues = len(resids) + n_segments = len(segids) top = Topology(n_atoms, n_residues, n_segments, attrs=attrs) return top From a8a94368c9eb94af9e27be48a10efc19934397ad Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 13 Sep 2024 22:32:46 +0200 Subject: [PATCH 050/133] Add gemmi dependency --- package/pyproject.toml | 1 + 1 file changed, 1 insertion(+) diff --git a/package/pyproject.toml b/package/pyproject.toml index 8d0e6a86bcd..b77f359706c 100644 --- a/package/pyproject.toml +++ b/package/pyproject.toml @@ -79,6 +79,7 @@ extra_formats = [ "pytng>=0.2.3", "gsd>3.0.0", "rdkit>=2020.03.1", + "gemmi", # for mmcif format ] analysis = [ "biopython>=1.80", From 6706bbe6e454f3396bfe9aa9a3e89e6ccbdbc769 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 20 Sep 2024 21:25:27 +0200 Subject: [PATCH 051/133] necessary params --- package/MDAnalysis/topology/MMCIFParser.py | 115 +++++++++++---------- 1 file changed, 58 insertions(+), 57 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index e8ec3bba07d..c29790c53be 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -3,26 +3,29 @@ =================== """ +import gemmi import numpy as np -from .base import TopologyReaderBase, change_squash +import warnings + from ..core.topology import Topology from ..core.topologyattrs import ( - Atomnames, - Atomids, AltLocs, - ChainIDs, + Atomids, + Atomnames, Atomtypes, + ChainIDs, Elements, + FormalCharges, ICodes, Masses, Occupancies, RecordTypes, Resids, Resnames, - Segids, Tempfactors, - FormalCharges, + Segids, ) +from .base import TopologyReaderBase, change_squash class MMCIFParser(TopologyReaderBase): @@ -35,22 +38,32 @@ def parse(self, **kwargs): ------- MDAnalysis Topology object """ - import gemmi - structure = gemmi.read_structure(self.filename) + if len(structure) > 1: + warnings.warn( + "MMCIF model {self.filename} contains {len(model)=} different models, " + "but only the first one will be used to assign the topology" + ) + model = structure[0] + # atom properties ( - altlocs, - atomtypes, - elements, - formalcharges, - names, - serials, - tempfactors, - occupancies, - weights, - ) = map( + altlocs, # at.altlog + atomtypes, # at.name + elements, # at.element.name + formalcharges, # at.charge + names, # at.name + serials, # at.serial + tempfactors, # at.b_iso + occupancies, # at.occ + weights, # at.element.weight + record_types, # res.het_flag TODO: match to ATOM/HETATM + chainids, # chain.name + resids, # res.seqid.num + resnames, # res.name + icodes, # residue.seqid.icode + ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif np.array, list( zip( @@ -65,8 +78,12 @@ def parse(self, **kwargs): at.b_iso, # tempfactores at.occ, # occupancies at.element.weight, # weights + res.het_flag, + chain.name, # chainids + res.seqid.num, + res.name, + res.seqid.icode, ) - for model in structure for chain in model for res in chain for at in res @@ -74,58 +91,42 @@ def parse(self, **kwargs): ) ), ) - # per-residue properties - ( - icodes, - record_types, - resids, - resnames, - segids, - ) = map( - np.array, - list( - zip( - *[ - ( - res.seqid.icode, # icodes - res.het_flag, # record_types - res.seqid.num, # resids - res.name, # resnames - res.segment, # segids - ) - for model in structure - for chain in model - for res in chain - ] - ) - ), - ) + + # fill in altlocs + altlocs = ["A" if not elem else elem for elem in altlocs] attrs = [ - # per atom + # AtomAttr subclasses AltLocs(altlocs), + Atomids(serials), + Atomnames(names), Atomtypes(atomtypes), + ChainIDs(chainids), # actually for atom Elements(elements), FormalCharges(formalcharges), - Atomnames(names), - Atomids(serials), - Tempfactors(tempfactors), - Occupancies(occupancies), Masses(weights), - # per residue - ICodes(icodes), # for each atom + Occupancies(occupancies), RecordTypes(record_types), # for atom too? + Tempfactors(tempfactors), + # ResidueAttr subclasses + ICodes(icodes), # for each atom Resids(resids), # for residue Resnames(resnames), # for residue - # - # Segids(segids), # for segment (currently for residue) - # per chain - # ChainIDs(chainids), # actually for atom + # SegmentAttr subclasses + Segids(segids), ] n_atoms = len(names) n_residues = len(resids) - n_segments = len(segids) + n_segments = len(set(chainids)) + + print(resids) + print(change_squash(resids, resids)) + top = Topology(n_atoms, n_residues, n_segments, attrs=attrs) + print(f"{n_atoms=}") + print(f"{n_residues=}") + print(f"{n_segments=}") + return top From 8cf9da4aff722a8dc485fddf90ad2d29dfd4fea6 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 20 Sep 2024 21:50:04 +0200 Subject: [PATCH 052/133] finished sorting atom attrs --- package/MDAnalysis/topology/MMCIFParser.py | 54 +++++++++++++--------- 1 file changed, 31 insertions(+), 23 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index c29790c53be..05ab2c086a9 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -49,18 +49,21 @@ def parse(self, **kwargs): # atom properties ( - altlocs, # at.altlog + altlocs, # at.altloc + serials, # at.serial + names, # at.name atomtypes, # at.name + # ------------------ + chainids, # chain.name elements, # at.element.name formalcharges, # at.charge - names, # at.name - serials, # at.serial - tempfactors, # at.b_iso - occupancies, # at.occ weights, # at.element.weight + # ------------------ + occupancies, # at.occ record_types, # res.het_flag TODO: match to ATOM/HETATM - chainids, # chain.name + tempfactors, # at.b_iso resids, # res.seqid.num + # ------------------ resnames, # res.name icodes, # residue.seqid.icode ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif @@ -70,17 +73,20 @@ def parse(self, **kwargs): *[ ( at.altloc, # altlocs + at.serial, # serials + at.name, # names at.name, # atomtypes + # ------------------ + chain.name, # chainids at.element.name, # elements at.charge, # formalcharges - at.name, # names - at.serial, # serials - at.b_iso, # tempfactores - at.occ, # occupancies at.element.weight, # weights - res.het_flag, - chain.name, # chainids + # ------------------ + at.occ, # occupancies + res.het_flag, # record_types + at.b_iso, # tempfactors res.seqid.num, + # ------------------ res.name, res.seqid.icode, ) @@ -97,17 +103,19 @@ def parse(self, **kwargs): attrs = [ # AtomAttr subclasses - AltLocs(altlocs), - Atomids(serials), - Atomnames(names), - Atomtypes(atomtypes), - ChainIDs(chainids), # actually for atom - Elements(elements), - FormalCharges(formalcharges), - Masses(weights), - Occupancies(occupancies), - RecordTypes(record_types), # for atom too? - Tempfactors(tempfactors), + AltLocs(altlocs), # ✅ + Atomids(serials), # ✅ + Atomnames(names), # ✅ + Atomtypes(atomtypes), # ✅ + # ------------------ + ChainIDs(chainids), # ✅ + Elements(elements), # ✅; same as atomtypes + FormalCharges(formalcharges), # ✅ + Masses(weights), # ✅ + # ------------------ + Occupancies(occupancies), # ✅ + RecordTypes(record_types), # ✅ + Tempfactors(tempfactors), # ✅ # ResidueAttr subclasses ICodes(icodes), # for each atom Resids(resids), # for residue From f13156ba6740f9dd4aa043fa7f4393dd7b375105 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 20 Sep 2024 22:47:06 +0200 Subject: [PATCH 053/133] add function for transformation into *idx --- package/MDAnalysis/topology/MMCIFParser.py | 108 +++++++++++++++------ 1 file changed, 76 insertions(+), 32 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 05ab2c086a9..bfd7b443f0e 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -6,6 +6,7 @@ import gemmi import numpy as np import warnings +import itertools from ..core.topology import Topology from ..core.topologyattrs import ( @@ -22,10 +23,15 @@ RecordTypes, Resids, Resnames, + Resnums, Tempfactors, Segids, ) -from .base import TopologyReaderBase, change_squash +from .base import TopologyReaderBase + + +def _into_idx(arr: list[int]) -> list[int]: + return [idx for idx, (_, group) in enumerate(itertools.groupby(arr)) for _ in group] class MMCIFParser(TopologyReaderBase): @@ -60,12 +66,9 @@ def parse(self, **kwargs): weights, # at.element.weight # ------------------ occupancies, # at.occ - record_types, # res.het_flag TODO: match to ATOM/HETATM + record_types, # res.het_flag tempfactors, # at.b_iso - resids, # res.seqid.num - # ------------------ - resnames, # res.name - icodes, # residue.seqid.icode + residx, # res.index? ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif np.array, list( @@ -85,56 +88,97 @@ def parse(self, **kwargs): at.occ, # occupancies res.het_flag, # record_types at.b_iso, # tempfactors + res.seqid.num, # residx TODO: translate to continious index + ) + for chain in model + for res in chain + for at in res + ] + ) + ), + ) + + ( + icodes, # res.seqid.icode + resids, # res.seqid.num + resnames, # res.name + segidx, # chain.name TODO: translate into continious index + ) = map( + np.array, + list( + zip( + *[ + ( + res.seqid.icode, res.seqid.num, - # ------------------ res.name, - res.seqid.icode, + chain.name, ) for chain in model for res in chain - for at in res ] ) ), ) + segids = [chain.name for chain in model] + + # transform *idx into continious numpy arrays + residx = np.array(_into_idx(residx)) + segidx = np.array(_into_idx(segidx)) + # fill in altlocs altlocs = ["A" if not elem else elem for elem in altlocs] + record_types = [ + "ATOM" if record == "A" else "HETATM" if record == "H" else None + for record in record_types + ] + if any((elem is None for elem in record_types)): + raise ValueError("Found an atom that is neither ATOM or HETATM") attrs = [ # AtomAttr subclasses - AltLocs(altlocs), # ✅ - Atomids(serials), # ✅ - Atomnames(names), # ✅ - Atomtypes(atomtypes), # ✅ - # ------------------ - ChainIDs(chainids), # ✅ - Elements(elements), # ✅; same as atomtypes - FormalCharges(formalcharges), # ✅ - Masses(weights), # ✅ - # ------------------ - Occupancies(occupancies), # ✅ - RecordTypes(record_types), # ✅ - Tempfactors(tempfactors), # ✅ + AltLocs(altlocs), # at.altloc + Atomids(serials), # at.serial + Atomnames(names), # at.name + Atomtypes(atomtypes), # at.name + # --------------------------------------- + ChainIDs(chainids), # chain.name + Elements(elements), # at.element.name + FormalCharges(formalcharges), # at.charge + Masses(weights), # at.element.weight + # --------------------------------------- + Occupancies(occupancies), # at.occ + RecordTypes(record_types), # res.het_flat + Tempfactors(tempfactors), # at.b_iso + # # ResidueAttr subclasses - ICodes(icodes), # for each atom - Resids(resids), # for residue - Resnames(resnames), # for residue + ICodes(icodes), # res.seqid.icode + Resids(resids), # res.seqid.num + Resnames(resnames), # res.name + # # SegmentAttr subclasses - Segids(segids), + Segids(segids), # chain.name ] n_atoms = len(names) n_residues = len(resids) - n_segments = len(set(chainids)) + n_segments = len(segids) - print(resids) - print(change_squash(resids, resids)) - - top = Topology(n_atoms, n_residues, n_segments, attrs=attrs) + print(f"{len(residx)=}") + print(f"{residx=}") + print(f"{len(segidx)=}") + print(f"{segidx=}") print(f"{n_atoms=}") print(f"{n_residues=}") print(f"{n_segments=}") - return top + return Topology( + n_atoms, + n_residues, + n_segments, + attrs=attrs, + atom_resindex=np.arange(n_atoms), + residue_segindex=np.arange(n_residues), + ) From dda981c7d61fb487aecc1a2694bc9379997b46c9 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 20 Sep 2024 23:33:19 +0200 Subject: [PATCH 054/133] oh damn seems to finally be working --- package/MDAnalysis/topology/MMCIFParser.py | 13 ++++++++----- 1 file changed, 8 insertions(+), 5 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index bfd7b443f0e..f1a070f379d 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -24,8 +24,8 @@ Resids, Resnames, Resnums, - Tempfactors, Segids, + Tempfactors, ) from .base import TopologyReaderBase @@ -68,7 +68,7 @@ def parse(self, **kwargs): occupancies, # at.occ record_types, # res.het_flag tempfactors, # at.b_iso - residx, # res.index? + residx, # _into_idx(res.seqid.num) ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif np.array, list( @@ -88,7 +88,7 @@ def parse(self, **kwargs): at.occ, # occupancies res.het_flag, # record_types at.b_iso, # tempfactors - res.seqid.num, # residx TODO: translate to continious index + res.seqid.num, # residx, later translated into continious repr ) for chain in model for res in chain @@ -103,6 +103,7 @@ def parse(self, **kwargs): resids, # res.seqid.num resnames, # res.name segidx, # chain.name TODO: translate into continious index + resnums, ) = map( np.array, list( @@ -113,6 +114,7 @@ def parse(self, **kwargs): res.seqid.num, res.name, chain.name, + res.seqid.num, ) for chain in model for res in chain @@ -150,6 +152,7 @@ def parse(self, **kwargs): # --------------------------------------- Occupancies(occupancies), # at.occ RecordTypes(record_types), # res.het_flat + Resnums(resnums), # res.seqid.num Tempfactors(tempfactors), # at.b_iso # # ResidueAttr subclasses @@ -179,6 +182,6 @@ def parse(self, **kwargs): n_residues, n_segments, attrs=attrs, - atom_resindex=np.arange(n_atoms), - residue_segindex=np.arange(n_residues), + atom_resindex=residx, + residue_segindex=segidx, ) From ebdf84942c766baefd80826342bdfc1d3130e234 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 20 Sep 2024 23:36:13 +0200 Subject: [PATCH 055/133] remove TODOs --- package/MDAnalysis/topology/MMCIFParser.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index f1a070f379d..7e88f4ac4b4 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -1,5 +1,5 @@ """ -MMCIF Topology Parser # TODO +MMCIF Topology Parser # =================== """ @@ -102,7 +102,7 @@ def parse(self, **kwargs): icodes, # res.seqid.icode resids, # res.seqid.num resnames, # res.name - segidx, # chain.name TODO: translate into continious index + segidx, # chain.name resnums, ) = map( np.array, From 47043f6ca7a7a152b194f45977397e3fa54ce033 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Sat, 21 Sep 2024 00:02:42 +0200 Subject: [PATCH 056/133] Remove debug prints --- package/MDAnalysis/coordinates/MMCIF.py | 3 ++- package/MDAnalysis/coordinates/__init__.py | 2 +- package/MDAnalysis/topology/MMCIFParser.py | 11 +---------- 3 files changed, 4 insertions(+), 12 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index c896f98c62a..b6b633f9512 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -34,4 +34,5 @@ def close(self): pass -class MMCIFWriter(base.WriterBase): ... +class MMCIFWriter(base.WriterBase): + pass diff --git a/package/MDAnalysis/coordinates/__init__.py b/package/MDAnalysis/coordinates/__init__.py index b3a5b51b195..9fcb332614a 100644 --- a/package/MDAnalysis/coordinates/__init__.py +++ b/package/MDAnalysis/coordinates/__init__.py @@ -791,4 +791,4 @@ class can choose an appropriate reader automatically. from . import NAMDBIN from . import FHIAIMS from . import TNG -from . import MMCIF \ No newline at end of file +from . import MMCIF diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 7e88f4ac4b4..b9d5fcf694b 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -102,7 +102,7 @@ def parse(self, **kwargs): icodes, # res.seqid.icode resids, # res.seqid.num resnames, # res.name - segidx, # chain.name + segidx, # chain.name resnums, ) = map( np.array, @@ -168,15 +168,6 @@ def parse(self, **kwargs): n_residues = len(resids) n_segments = len(segids) - print(f"{len(residx)=}") - print(f"{residx=}") - print(f"{len(segidx)=}") - print(f"{segidx=}") - - print(f"{n_atoms=}") - print(f"{n_residues=}") - print(f"{n_segments=}") - return Topology( n_atoms, n_residues, From 9770d7b23f88292e01467d3c69c222f0d9ff7575 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Mon, 23 Sep 2024 00:48:07 +0200 Subject: [PATCH 057/133] try to pack things into separate class in utils? --- package/MDAnalysis/topology/tpr/utils.py | 146 +++++++++++++++++++++++ 1 file changed, 146 insertions(+) diff --git a/package/MDAnalysis/topology/tpr/utils.py b/package/MDAnalysis/topology/tpr/utils.py index 98b4a4bb845..b7c06fdc1e4 100644 --- a/package/MDAnalysis/topology/tpr/utils.py +++ b/package/MDAnalysis/topology/tpr/utils.py @@ -47,31 +47,43 @@ The module also contains the :func:`do_inputrec` to read the TPR header with. """ +from collections.abc import Callable +from typing import Any import numpy as np from mda_xdrlib import xdrlib import struct +from dataclasses import dataclass from . import obj from . import setting from ..base import squash_by from ...core.topology import Topology from ...core.topologyattrs import ( + AltLocs, Atomids, Atomnames, Atomtypes, Masses, Charges, Elements, + Occupancies, + RecordTypes, Resids, Resnames, Moltypes, Molnums, + Resnums, Segids, ChainIDs, Bonds, Angles, Dihedrals, Impropers, + FormalCharges, + AtomAttr, + ResidueAttr, + SegmentAttr, + Tempfactors, ) @@ -895,3 +907,137 @@ def do_blocka(data): ndo_int(data, block_nr + 1) ndo_int(data, block_nra) return block_nr, block_nra + + +# gemmi-related utils: https://gemmi.readthedocs.io/en/latest/ +# TODO: add docs here? + + +@dataclass +class AttrMapping: + level: str # 'atom', 'residue', 'segment' + target: AtomAttr | ResidueAttr | SegmentAttr + func: Callable[[int], Any] + + def __post_init__(self): + mapping = {'atom':0, 'residue':1, 'segment':2} + self.idx = mapping.get(self.level, None) + if self.idx is None: + raise ValueError(f"'level' can only be one of {list(mapping.keys())}, got {self.level=}") + + def apply(self): pass + +class GemmiToAttrs: + AltLocs = AttrMapping('atom', AltLocs, ) + Atomids = ... + Atomnames = ... + Atomtypes = ... + ChainIDs = ... + Elements = ... + FormalCharges = ... + Occupancies = ... + Resnums = ... + Tempfactors = ... + Icodes = ... + Resids = ... + Resnames = ... + Segids = ... + +def gemmiModel2AtomAttrs(model: 'gemmi.Structure') -> list[AtomAttr]: # type: ignore # noqa: F821 + ( + altlocs, # at.altloc + serials, # at.serial + names, # at.name + atomtypes, # at.name + # ------------------ + chainids, # chain.name + elements, # at.element.name + formalcharges, # at.charge + weights, # at.element.weight + # ------------------ + occupancies, # at.occ + record_types, # res.het_flag + tempfactors, # at.b_iso + residx, # _into_idx(res.seqid.num) + ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif + np.array, + list( + zip( + *[ + ( + at.altloc, # altlocs + at.serial, # serials + at.name, # names + at.name, # atomtypes + # ------------------ + chain.name, # chainids + at.element.name, # elements + at.charge, # formalcharges + at.element.weight, # weights + # ------------------ + at.occ, # occupancies + res.het_flag, # record_types + at.b_iso, # tempfactors + res.seqid.num, # residx, later translated into continious repr + ) + for chain in model + for res in chain + for at in res + ] + ) + ), + ) + + altlocs = ["A" if not elem else elem for elem in altlocs] + record_types = [ + "ATOM" if record == "A" else "HETATM" if record == "H" else None + for record in record_types + ] + if any((elem is None for elem in record_types)): + raise ValueError("Found an atom that is neither ATOM or HETATM") + + attrs = [ + # AtomAttr subclasses + AltLocs(altlocs), # at.altloc + Atomids(serials), # at.serial + Atomnames(names), # at.name + Atomtypes(atomtypes), # at.name + # --------------------------------------- + ChainIDs(chainids), # chain.name + Elements(elements), # at.element.name + FormalCharges(formalcharges), # at.charge + Masses(weights), # at.element.weight + # --------------------------------------- + Occupancies(occupancies), # at.occ + RecordTypes(record_types), # res.het_flat + Tempfactors(tempfactors), # at.b_iso + # + ] + + return attrs + +def gemmiModel2ResidueAttrs(model: 'gemmi.Structure') -> list[ResidueAttr]: # type: ignore # noqa: F821 + ( + icodes, # res.seqid.icode + resids, # res.seqid.num + resnames, # res.name + segidx, # chain.name + resnums, + ) = map( + np.array, + list( + zip( + *[ + ( + res.seqid.icode, + res.seqid.num, + res.name, + chain.name, + res.seqid.num, + ) + for chain in model + for res in chain + ] + ) + ), + ) From fd7f70d9dc839d375c8805bbf6eb01f97a9ea2e6 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Mon, 23 Sep 2024 00:59:49 +0200 Subject: [PATCH 058/133] remove unnecessary functions --- package/MDAnalysis/topology/tpr/utils.py | 134 ----------------------- 1 file changed, 134 deletions(-) diff --git a/package/MDAnalysis/topology/tpr/utils.py b/package/MDAnalysis/topology/tpr/utils.py index b7c06fdc1e4..3807ea19d2f 100644 --- a/package/MDAnalysis/topology/tpr/utils.py +++ b/package/MDAnalysis/topology/tpr/utils.py @@ -907,137 +907,3 @@ def do_blocka(data): ndo_int(data, block_nr + 1) ndo_int(data, block_nra) return block_nr, block_nra - - -# gemmi-related utils: https://gemmi.readthedocs.io/en/latest/ -# TODO: add docs here? - - -@dataclass -class AttrMapping: - level: str # 'atom', 'residue', 'segment' - target: AtomAttr | ResidueAttr | SegmentAttr - func: Callable[[int], Any] - - def __post_init__(self): - mapping = {'atom':0, 'residue':1, 'segment':2} - self.idx = mapping.get(self.level, None) - if self.idx is None: - raise ValueError(f"'level' can only be one of {list(mapping.keys())}, got {self.level=}") - - def apply(self): pass - -class GemmiToAttrs: - AltLocs = AttrMapping('atom', AltLocs, ) - Atomids = ... - Atomnames = ... - Atomtypes = ... - ChainIDs = ... - Elements = ... - FormalCharges = ... - Occupancies = ... - Resnums = ... - Tempfactors = ... - Icodes = ... - Resids = ... - Resnames = ... - Segids = ... - -def gemmiModel2AtomAttrs(model: 'gemmi.Structure') -> list[AtomAttr]: # type: ignore # noqa: F821 - ( - altlocs, # at.altloc - serials, # at.serial - names, # at.name - atomtypes, # at.name - # ------------------ - chainids, # chain.name - elements, # at.element.name - formalcharges, # at.charge - weights, # at.element.weight - # ------------------ - occupancies, # at.occ - record_types, # res.het_flag - tempfactors, # at.b_iso - residx, # _into_idx(res.seqid.num) - ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif - np.array, - list( - zip( - *[ - ( - at.altloc, # altlocs - at.serial, # serials - at.name, # names - at.name, # atomtypes - # ------------------ - chain.name, # chainids - at.element.name, # elements - at.charge, # formalcharges - at.element.weight, # weights - # ------------------ - at.occ, # occupancies - res.het_flag, # record_types - at.b_iso, # tempfactors - res.seqid.num, # residx, later translated into continious repr - ) - for chain in model - for res in chain - for at in res - ] - ) - ), - ) - - altlocs = ["A" if not elem else elem for elem in altlocs] - record_types = [ - "ATOM" if record == "A" else "HETATM" if record == "H" else None - for record in record_types - ] - if any((elem is None for elem in record_types)): - raise ValueError("Found an atom that is neither ATOM or HETATM") - - attrs = [ - # AtomAttr subclasses - AltLocs(altlocs), # at.altloc - Atomids(serials), # at.serial - Atomnames(names), # at.name - Atomtypes(atomtypes), # at.name - # --------------------------------------- - ChainIDs(chainids), # chain.name - Elements(elements), # at.element.name - FormalCharges(formalcharges), # at.charge - Masses(weights), # at.element.weight - # --------------------------------------- - Occupancies(occupancies), # at.occ - RecordTypes(record_types), # res.het_flat - Tempfactors(tempfactors), # at.b_iso - # - ] - - return attrs - -def gemmiModel2ResidueAttrs(model: 'gemmi.Structure') -> list[ResidueAttr]: # type: ignore # noqa: F821 - ( - icodes, # res.seqid.icode - resids, # res.seqid.num - resnames, # res.name - segidx, # chain.name - resnums, - ) = map( - np.array, - list( - zip( - *[ - ( - res.seqid.icode, - res.seqid.num, - res.name, - chain.name, - res.seqid.num, - ) - for chain in model - for res in chain - ] - ) - ), - ) From 14930563ad3b9a6d562d5086005fec67d9ccc36e Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Tue, 24 Sep 2024 01:00:49 +0200 Subject: [PATCH 059/133] copy all loops into separate functions --- package/MDAnalysis/topology/MMCIFParser.py | 129 +++++++++++++++++++++ 1 file changed, 129 insertions(+) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index b9d5fcf694b..29243b7e1ac 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -3,6 +3,13 @@ =================== """ +try: + import gemmi +except ImportError: + HAS_GEMMI = False +else: + HAS_GEMMI = True + import gemmi import numpy as np import warnings @@ -26,6 +33,9 @@ Resnums, Segids, Tempfactors, + AtomAttr, + ResidueAttr, + SegmentAttr, ) from .base import TopologyReaderBase @@ -34,6 +44,125 @@ def _into_idx(arr: list[int]) -> list[int]: return [idx for idx, (_, group) in enumerate(itertools.groupby(arr)) for _ in group] +def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: + ( + altlocs, # at.altloc + serials, # at.serial + names, # at.name + atomtypes, # at.name + # ------------------ + chainids, # chain.name + elements, # at.element.name + formalcharges, # at.charge + weights, # at.element.weight + # ------------------ + occupancies, # at.occ + record_types, # res.het_flag + tempfactors, # at.b_iso + residx, # _into_idx(res.seqid.num) + ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif + np.array, + list( + zip( + *[ + ( + at.altloc, # altlocs + at.serial, # serials + at.name, # names + at.name, # atomtypes + # ------------------ + chain.name, # chainids + at.element.name, # elements + at.charge, # formalcharges + at.element.weight, # weights + # ------------------ + at.occ, # occupancies + res.het_flag, # record_types + at.b_iso, # tempfactors + res.seqid.num, # residx, later translated into continious repr + ) + for chain in model + for res in chain + for at in res + ] + ) + ), + ) + + # transform *idx into continious numpy arrays + residx = np.array(_into_idx(residx)) + + # fill in altlocs + altlocs = ["A" if not elem else elem for elem in altlocs] + record_types = [ + "ATOM" if record == "A" else "HETATM" if record == "H" else None + for record in record_types + ] + if any((elem is None for elem in record_types)): + raise ValueError("Found an atom that is neither ATOM or HETATM") + + attrs = [ + AltLocs(altlocs), # at.altloc + Atomids(serials), # at.serial + Atomnames(names), # at.name + Atomtypes(atomtypes), # at.name + # --------------------------------------- + ChainIDs(chainids), # chain.name + Elements(elements), # at.element.name + FormalCharges(formalcharges), # at.charge + Masses(weights), # at.element.weight + # --------------------------------------- + Occupancies(occupancies), # at.occ + RecordTypes(record_types), # res.het_flat + Tempfactors(tempfactors), # at.b_iso + ] + + n_atoms = len(names) # TODO: replace in class itself with len(attrs[0]) + return attrs, residx + + +def get_Residueattrs(model: gemmi.Model) -> tuple[list[ResidueAttr], np.ndarray]: + ( + icodes, # res.seqid.icode + resids, # res.seqid.num + resnames, # res.name + segidx, # chain.name + resnums, + ) = map( + np.array, + list( + zip( + *[ + ( + res.seqid.icode, + res.seqid.num, + res.name, + chain.name, + res.seqid.num, + ) + for chain in model + for res in chain + ] + ) + ), + ) + segidx = np.array(_into_idx(segidx)) + attrs = [ + Resnums(resnums), # res.seqid.num + ICodes(icodes), # res.seqid.icode + Resids(resids), # res.seqid.num + Resnames(resnames), # res.name + ] + n_residues = len(resids) # TODO: replace in class itself with len(attrs[0]) + return attrs, segidx + + +def get_Segmentattrs(model: gemmi.Model) -> list[SegmentAttr]: + segids = [chain.name for chain in model] + n_segments = len(segids) # TODO: replace in class itself with len(attrs[0]) + return [Segids(segids)] + + class MMCIFParser(TopologyReaderBase): format = "MMCIF" From 3d7fbb926a6db5354fee607271c585a6f39e8537 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Tue, 24 Sep 2024 01:04:12 +0200 Subject: [PATCH 060/133] Move loops over structures into functions --- package/MDAnalysis/topology/MMCIFParser.py | 122 ++------------------- 1 file changed, 7 insertions(+), 115 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 29243b7e1ac..08d39e9b21f 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -117,7 +117,6 @@ def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: Tempfactors(tempfactors), # at.b_iso ] - n_atoms = len(names) # TODO: replace in class itself with len(attrs[0]) return attrs, residx @@ -153,13 +152,11 @@ def get_Residueattrs(model: gemmi.Model) -> tuple[list[ResidueAttr], np.ndarray] Resids(resids), # res.seqid.num Resnames(resnames), # res.name ] - n_residues = len(resids) # TODO: replace in class itself with len(attrs[0]) return attrs, segidx def get_Segmentattrs(model: gemmi.Model) -> list[SegmentAttr]: segids = [chain.name for chain in model] - n_segments = len(segids) # TODO: replace in class itself with len(attrs[0]) return [Segids(segids)] @@ -182,120 +179,15 @@ def parse(self, **kwargs): ) model = structure[0] - # atom properties - ( - altlocs, # at.altloc - serials, # at.serial - names, # at.name - atomtypes, # at.name - # ------------------ - chainids, # chain.name - elements, # at.element.name - formalcharges, # at.charge - weights, # at.element.weight - # ------------------ - occupancies, # at.occ - record_types, # res.het_flag - tempfactors, # at.b_iso - residx, # _into_idx(res.seqid.num) - ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif - np.array, - list( - zip( - *[ - ( - at.altloc, # altlocs - at.serial, # serials - at.name, # names - at.name, # atomtypes - # ------------------ - chain.name, # chainids - at.element.name, # elements - at.charge, # formalcharges - at.element.weight, # weights - # ------------------ - at.occ, # occupancies - res.het_flag, # record_types - at.b_iso, # tempfactors - res.seqid.num, # residx, later translated into continious repr - ) - for chain in model - for res in chain - for at in res - ] - ) - ), - ) - - ( - icodes, # res.seqid.icode - resids, # res.seqid.num - resnames, # res.name - segidx, # chain.name - resnums, - ) = map( - np.array, - list( - zip( - *[ - ( - res.seqid.icode, - res.seqid.num, - res.name, - chain.name, - res.seqid.num, - ) - for chain in model - for res in chain - ] - ) - ), - ) - - segids = [chain.name for chain in model] - - # transform *idx into continious numpy arrays - residx = np.array(_into_idx(residx)) - segidx = np.array(_into_idx(segidx)) - - # fill in altlocs - altlocs = ["A" if not elem else elem for elem in altlocs] - record_types = [ - "ATOM" if record == "A" else "HETATM" if record == "H" else None - for record in record_types - ] - if any((elem is None for elem in record_types)): - raise ValueError("Found an atom that is neither ATOM or HETATM") + atomAttrs, residx = get_Atomattrs(model) + residAttrs, segidx = get_Residueattrs(model) + segmentAttrs = get_Segmentattrs(model) - attrs = [ - # AtomAttr subclasses - AltLocs(altlocs), # at.altloc - Atomids(serials), # at.serial - Atomnames(names), # at.name - Atomtypes(atomtypes), # at.name - # --------------------------------------- - ChainIDs(chainids), # chain.name - Elements(elements), # at.element.name - FormalCharges(formalcharges), # at.charge - Masses(weights), # at.element.weight - # --------------------------------------- - Occupancies(occupancies), # at.occ - RecordTypes(record_types), # res.het_flat - Resnums(resnums), # res.seqid.num - Tempfactors(tempfactors), # at.b_iso - # - # ResidueAttr subclasses - ICodes(icodes), # res.seqid.icode - Resids(resids), # res.seqid.num - Resnames(resnames), # res.name - # - # SegmentAttr subclasses - Segids(segids), # chain.name - ] + attrs = atomAttrs + residAttrs + segmentAttrs - n_atoms = len(names) - n_residues = len(resids) - n_segments = len(segids) + n_atoms = len(atomAttrs[0]) + n_residues = len(residAttrs[0]) + n_segments = len(segmentAttrs[0]) return Topology( n_atoms, From 9b9286eb38a3ebd60dce8158974359324336bf23 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Tue, 24 Sep 2024 01:14:42 +0200 Subject: [PATCH 061/133] Move coordinate fetching into function for the coordinate reader as well --- package/MDAnalysis/coordinates/MMCIF.py | 34 +++++++++++++++---------- 1 file changed, 20 insertions(+), 14 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index b6b633f9512..244a7719512 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -1,11 +1,24 @@ import numpy as np -import gemmi import logging from . import base +import warnings + +try: + import gemmi + + HAS_GEMMI = True +except ImportError: + HAS_GEMMI = False logger = logging.getLogger("MDAnalysis.coordinates.MMCIF") +def get_Coordinates(model: gemmi.Model) -> np.ndarray: + return np.array( + [[*at.pos.tolist()] for chain in model for res in chain for at in res] + ) + + class MMCIFReader(base.SingleFrameReaderBase): """Reads from an MMCIF file""" @@ -14,15 +27,12 @@ class MMCIFReader(base.SingleFrameReaderBase): def _read_first_frame(self): structure = gemmi.read_structure(self.filename) - coords = np.array( - [ - [*at.pos.tolist()] - for model in structure - for chain in model - for res in chain - for at in res - ] - ) + if len(structure) > 1: + warnings.warn( + f"File {self.filename} has {len(structure)} models, but only the first one will be read" + ) + model = structure[0] + coords = get_Coordinates(model) self.n_atoms = len(coords) self.ts = self._Timestep.from_coordinates(coords, **self._ts_kwargs) self.ts.frame = 0 @@ -32,7 +42,3 @@ def Writer(self, filename, n_atoms=None, **kwargs): def close(self): pass - - -class MMCIFWriter(base.WriterBase): - pass From b8f3c0473035088f189361bd145edf9d87b05c6b Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Tue, 24 Sep 2024 01:20:42 +0200 Subject: [PATCH 062/133] Fix imports --- package/MDAnalysis/coordinates/MMCIF.py | 6 ++++-- package/MDAnalysis/topology/MMCIFParser.py | 12 ++++++------ 2 files changed, 10 insertions(+), 8 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 244a7719512..2cfefa354ff 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -1,8 +1,10 @@ -import numpy as np import logging -from . import base import warnings +import numpy as np + +from . import base + try: import gemmi diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 08d39e9b21f..f7b8d4d5724 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -10,14 +10,15 @@ else: HAS_GEMMI = True -import gemmi -import numpy as np -import warnings import itertools +import warnings + +import numpy as np from ..core.topology import Topology from ..core.topologyattrs import ( AltLocs, + AtomAttr, Atomids, Atomnames, Atomtypes, @@ -29,13 +30,12 @@ Occupancies, RecordTypes, Resids, + ResidueAttr, Resnames, Resnums, Segids, - Tempfactors, - AtomAttr, - ResidueAttr, SegmentAttr, + Tempfactors, ) from .base import TopologyReaderBase From 0f38a2dd466dc2eda830075521d6fd5462ccaadd Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Mon, 30 Sep 2024 14:45:00 +0200 Subject: [PATCH 063/133] Start adding documentation --- package/MDAnalysis/coordinates/MMCIF.py | 24 ++++-- package/MDAnalysis/topology/MMCIFParser.py | 99 +++++++++++++++------- 2 files changed, 89 insertions(+), 34 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 2cfefa354ff..6b9ae180ae2 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -15,7 +15,18 @@ logger = logging.getLogger("MDAnalysis.coordinates.MMCIF") -def get_Coordinates(model: gemmi.Model) -> np.ndarray: +def get_coordinates(model: gemmi.Model) -> np.ndarray: + """Get coordinates of all atoms in the `gemmi.Model` object. + + Parameters + ---------- + model + input `gemmi.Model`, e.g. `gemmi.read_structure('file.cif')[0]` + + Returns + ------- + np.ndarray, shape [n, 3], where `n` is the number of atoms in the structure. + """ return np.array( [[*at.pos.tolist()] for chain in model for res in chain for at in res] ) @@ -33,14 +44,17 @@ def _read_first_frame(self): warnings.warn( f"File {self.filename} has {len(structure)} models, but only the first one will be read" ) + if len(structure) > 1: + warnings.warn( + "MMCIF model {self.filename} contains {len(model)=} different models, " + "but only the first one will be used to assign the topology" + ) # TODO: if the structures represent timestamps, can parse them with :func:`get_coordinates`. + model = structure[0] - coords = get_Coordinates(model) + coords = get_coordinates(model) self.n_atoms = len(coords) self.ts = self._Timestep.from_coordinates(coords, **self._ts_kwargs) self.ts.frame = 0 - def Writer(self, filename, n_atoms=None, **kwargs): - raise NotImplementedError - def close(self): pass diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index f7b8d4d5724..debd75c8676 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -40,11 +40,46 @@ from .base import TopologyReaderBase -def _into_idx(arr: list[int]) -> list[int]: +def _into_idx(arr: list) -> list[int]: + """Replace consecutive identical elements of an array with their indices. + + Example + ------- + .. code-block:: python + + arr: list[int] = [1, 1, 5, 5, 7, 3, 3] + assert _into_idx(arr) == [0, 0, 1, 1, 2, 3, 3] + + Parameters + ---------- + arr + input array of elements that can be compared with `__eq__` + + Returns + ------- + list[int] -- array where these elements are replaced with their unique indices, in order of appearance. + """ return [idx for idx, (_, group) in enumerate(itertools.groupby(arr)) for _ in group] def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: + """Extract all attributes that are subclasses of :class:`..core.topologyattrs.AtomAttr` from a ``gemmi.Model`` object, + and a `segidx` index. + + Parameters + ---------- + model + input `gemmi.Model`, e.g. `gemmi.read_structure('file.cif')[0]` + + Returns + ------- + tuple[list[AtomAttr], np.ndarray] -- first element is list of all extracted attributes, second element is `segidx` + + Raises + ------ + ValueError + if any of the records is neither 'ATOM' nor 'HETATM' + """ ( altlocs, # at.altloc serials, # at.serial @@ -60,30 +95,34 @@ def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: record_types, # res.het_flag tempfactors, # at.b_iso residx, # _into_idx(res.seqid.num) - ) = map( # this is probably not pretty, but it's efficient -- one loop over the mmcif + ) = map( # this construct takes np.ndarray of all lists of attributes, extracted from the `gemmi.Model` np.array, list( zip( *[ ( - at.altloc, # altlocs - at.serial, # serials - at.name, # names - at.name, # atomtypes + # tuple of attributes + # extracted from residue, atom or chain in the structure + # ------------------ + atom.altloc, # altlocs + atom.serial, # serials + atom.name, # names + atom.name, # atomtypes # ------------------ chain.name, # chainids - at.element.name, # elements - at.charge, # formalcharges - at.element.weight, # weights + atom.element.name, # elements + atom.charge, # formalcharges + atom.element.weight, # weights # ------------------ - at.occ, # occupancies - res.het_flag, # record_types - at.b_iso, # tempfactors - res.seqid.num, # residx, later translated into continious repr + atom.occ, # occupancies + residue.het_flag, # record_types + atom.b_iso, # tempfactors + residue.seqid.num, # residx, later translated into continious repr ) + # the main loop over the `gemmi.Model` object for chain in model - for res in chain - for at in res + for residue in chain + for atom in residue ] ) ), @@ -92,8 +131,10 @@ def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: # transform *idx into continious numpy arrays residx = np.array(_into_idx(residx)) - # fill in altlocs + # fill in altlocs, since gemmi has '' as default altlocs = ["A" if not elem else elem for elem in altlocs] + + # convert default gemmi record types to default MDAnalysis record types record_types = [ "ATOM" if record == "A" else "HETATM" if record == "H" else None for record in record_types @@ -102,19 +143,19 @@ def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: raise ValueError("Found an atom that is neither ATOM or HETATM") attrs = [ - AltLocs(altlocs), # at.altloc - Atomids(serials), # at.serial - Atomnames(names), # at.name - Atomtypes(atomtypes), # at.name - # --------------------------------------- - ChainIDs(chainids), # chain.name - Elements(elements), # at.element.name - FormalCharges(formalcharges), # at.charge - Masses(weights), # at.element.weight - # --------------------------------------- - Occupancies(occupancies), # at.occ - RecordTypes(record_types), # res.het_flat - Tempfactors(tempfactors), # at.b_iso + AltLocs(altlocs), + Atomids(serials), + Atomnames(names), + Atomtypes(atomtypes), + # ---------------------------- + ChainIDs(chainids), + Elements(elements), + FormalCharges(formalcharges), + Masses(weights), + # ---------------------------- + Occupancies(occupancies), + RecordTypes(record_types), + Tempfactors(tempfactors), ] return attrs, residx From b915aab7ab09c31b7d2e92242cc714e57d741601 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Tue, 1 Oct 2024 23:01:44 +0200 Subject: [PATCH 064/133] Reference MMCIFParser in PDBParser --- package/MDAnalysis/topology/PDBParser.py | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/package/MDAnalysis/topology/PDBParser.py b/package/MDAnalysis/topology/PDBParser.py index 5c5c0c185de..604c1a74b6e 100644 --- a/package/MDAnalysis/topology/PDBParser.py +++ b/package/MDAnalysis/topology/PDBParser.py @@ -50,9 +50,17 @@ Partial charges are not set. Elements are parsed if they are valid. If partially missing or incorrect, empty records are assigned. +.. Note:: + + You can also use :mod:`~MDAnalysis.topology.MMCIFParser` to parse PDB files + that you're having troubles parsing with standard PDB parser. ``MMCIFParser`` + uses ``gemmi`` library (https://github.com/project-gemmi/gemmi) that is developed + together with RCSB, and might work better for your particular situation. + See Also -------- * :mod:`MDAnalysis.topology.ExtendedPDBParser` +* :mod:`MDAnalysis.topology.MMCIFParser` * :class:`MDAnalysis.coordinates.PDB.PDBReader` * :class:`MDAnalysis.core.universe.Universe` From 0d61248879d5630945510cd0fb2fb3c6a4e29aee Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Tue, 1 Oct 2024 23:15:45 +0200 Subject: [PATCH 065/133] Add documentation for trajectory and topology parsers --- package/MDAnalysis/coordinates/MMCIF.py | 27 ++++++- package/MDAnalysis/topology/MMCIFParser.py | 86 ++++++++++++++++++---- 2 files changed, 98 insertions(+), 15 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 6b9ae180ae2..f127c92b0d5 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -33,13 +33,29 @@ def get_coordinates(model: gemmi.Model) -> np.ndarray: class MMCIFReader(base.SingleFrameReaderBase): - """Reads from an MMCIF file""" + """Reads from an MMCIF file using ``gemmi`` library as a backend. + + Notes + ----- + + If the structure represents an ensemble, only the first structure in the ensemble + is read here (and a warning is thrown). Also, if the structure has a placeholder "CRYST1" + record (1, 1, 1, 90, 90, 90), it's set to ``None`` instead. + + .. versionadded:: 2.8.0 + """ format = "MMCIF" units = {"time": None, "length": "Angstrom"} def _read_first_frame(self): structure = gemmi.read_structure(self.filename) + cell_dims = np.array( + [ + getattr(structure.cell, name) + for name in ("a", "b", "c", "alpha", "beta", "gamma") + ] + ) if len(structure) > 1: warnings.warn( f"File {self.filename} has {len(structure)} models, but only the first one will be read" @@ -54,6 +70,15 @@ def _read_first_frame(self): coords = get_coordinates(model) self.n_atoms = len(coords) self.ts = self._Timestep.from_coordinates(coords, **self._ts_kwargs) + if np.allclose(cell_dims, np.array([1.0, 1.0, 1.0, 90.0, 90.0, 90.0])): + warnings.warn( + "1 A^3 CRYST1 record," + " this is usually a placeholder." + " Unit cell dimensions will be set to None." + ) + self.ts.dimensions = None + else: + self.ts.dimensions = cell_dims self.ts.frame = 0 def close(self): diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index debd75c8676..757e314ce19 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -58,13 +58,15 @@ def _into_idx(arr: list) -> list[int]: Returns ------- list[int] -- array where these elements are replaced with their unique indices, in order of appearance. + + .. versionadded:: 2.8.0 """ return [idx for idx, (_, group) in enumerate(itertools.groupby(arr)) for _ in group] def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.AtomAttr` from a ``gemmi.Model`` object, - and a `segidx` index. + and a `residx` index with indices of all atoms in residues. Parameters ---------- @@ -79,6 +81,8 @@ def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: ------ ValueError if any of the records is neither 'ATOM' nor 'HETATM' + + .. versionadded:: 2.8.0 """ ( altlocs, # at.altloc @@ -162,10 +166,24 @@ def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: def get_Residueattrs(model: gemmi.Model) -> tuple[list[ResidueAttr], np.ndarray]: + """Extract all attributes that are subclasses of :class:`..core.topologyattrs.ResidueAttr` from a ``gemmi.Model`` object, + and a `segidx` index witn indices of all residues in segments. + + Parameters + ---------- + model + input `gemmi.Model`, e.g. `gemmi.read_structure('file.cif')[0]` + + Returns + ------- + tuple[list[ResidueAttr], np.ndarray] -- first element is list of all extracted attributes, second element is `segidx` + + .. versionadded:: 2.8.0 + """ ( - icodes, # res.seqid.icode - resids, # res.seqid.num - resnames, # res.name + icodes, # residue.seqid.icode + resids, # residue.seqid.num + resnames, # residue.name segidx, # chain.name resnums, ) = map( @@ -174,34 +192,73 @@ def get_Residueattrs(model: gemmi.Model) -> tuple[list[ResidueAttr], np.ndarray] zip( *[ ( - res.seqid.icode, - res.seqid.num, - res.name, + residue.seqid.icode, + residue.seqid.num, + residue.name, chain.name, - res.seqid.num, + residue.seqid.num, ) for chain in model - for res in chain + for residue in chain ] ) ), ) segidx = np.array(_into_idx(segidx)) attrs = [ - Resnums(resnums), # res.seqid.num - ICodes(icodes), # res.seqid.icode - Resids(resids), # res.seqid.num - Resnames(resnames), # res.name + Resnums(resnums), + ICodes(icodes), + Resids(resids), + Resnames(resnames), ] return attrs, segidx -def get_Segmentattrs(model: gemmi.Model) -> list[SegmentAttr]: +def get_Segmentattrs(model: gemmi.Model) -> SegmentAttr: + """Extract all attributes that are subclasses of :class:`..core.topologyattrs.SegmentAttr` from a ``gemmi.Model`` object. + + Parameters + ---------- + model + input `gemmi.Model`, e.g. `gemmi.read_structure('file.cif')[0]` + + Returns + ------- + list[SegmentAttr] -- list of all extracted attributes + + .. versionadded:: 2.8.0 + """ segids = [chain.name for chain in model] return [Segids(segids)] class MMCIFParser(TopologyReaderBase): + """Parser that obtains a list of atoms from a standard MMCIF/PDBx file using ``gemmi`` library (https://github.com/project-gemmi/gemmi). + + Creates the following Attributes (if present): + - :class:`..core.topologyattrs.AtomAttr` subclasses: + - :class:`..core.topologyattrs.AltLocs` + - :class:`..core.topologyattrs.Atomids` + - :class:`..core.topologyattrs.Atomnames` + - :class:`..core.topologyattrs.Atomtypes` + - :class:`..core.topologyattrs.ChainIDs` + - :class:`..core.topologyattrs.Elements` + - :class:`..core.topologyattrs.FormalCharges` + - :class:`..core.topologyattrs.Masses` + - :class:`..core.topologyattrs.Occupancies` + - :class:`..core.topologyattrs.RecordTypes` + - :class:`..core.topologyattrs.Tempfactors` + - :class:`..core.topologyattrs.ResidueAttr` subclasses: + - :class:`..core.topologyattrs.Resnums` + - :class:`..core.topologyattrs.ICodes` + - :class:`..core.topologyattrs.Resids` + - :class:`..core.topologyattrs.Resnames` + - :class:`..core.topologyattrs.SegmentAttr` subclasses: + - :class:`..core.topologyattrs.Segids` + + .. versionadded:: 2.8.0 + """ + format = "MMCIF" def parse(self, **kwargs): @@ -226,6 +283,7 @@ def parse(self, **kwargs): attrs = atomAttrs + residAttrs + segmentAttrs + # due to the list(map(...)) construction, all elements in array have equal lengths n_atoms = len(atomAttrs[0]) n_residues = len(residAttrs[0]) n_segments = len(segmentAttrs[0]) From 34d76caabb9c50100bb6f09a1e0a5c3fcea750c2 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 2 Oct 2024 19:31:12 +0200 Subject: [PATCH 066/133] Add mmcif tests --- .../MDAnalysisTests/coordinates/test_mmcif.py | 44 ++++++++++++++++ .../MDAnalysisTests/data/mmcif/1YJP.cif.gz | Bin 0 -> 8187 bytes .../MDAnalysisTests/data/mmcif/7ETN.cif.gz | Bin 0 -> 13252 bytes .../MDAnalysisTests/topology/test_mmcif.py | 48 ++++++++++++++++++ 4 files changed, 92 insertions(+) create mode 100644 testsuite/MDAnalysisTests/coordinates/test_mmcif.py create mode 100644 testsuite/MDAnalysisTests/data/mmcif/1YJP.cif.gz create mode 100644 testsuite/MDAnalysisTests/data/mmcif/7ETN.cif.gz create mode 100644 testsuite/MDAnalysisTests/topology/test_mmcif.py diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py new file mode 100644 index 00000000000..ec25cd54de5 --- /dev/null +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -0,0 +1,44 @@ +import glob +import os +from io import StringIO + +import MDAnalysis as mda +import numpy as np +import pytest +from numpy.testing import ( + assert_allclose, + assert_almost_equal, + assert_array_almost_equal, + assert_equal, +) + +from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER + +# FIXME: rewrite tests to read trajectories only once + + +@pytest.mark.parametrize("mmcif_filename", glob.glob(f"{MMCIF_FOLDER}/*.cif*")) +def test_works_with_explicit_format(mmcif_filename): + u = mda.Universe(mmcif_filename, format="MMCIF") + assert u.trajectory.n_atoms > 0 + + +@pytest.mark.parametrize("mmcif_filename", glob.glob(f"{MMCIF_FOLDER}/*.cif*")) +def test_works_without_explicit_format(mmcif_filename): + u = mda.Universe(mmcif_filename) + assert u.trajectory.n_atoms > 0 + + +@pytest.mark.parametrize( + "mmcif_filename,natoms_protein,natoms_total", + [ + (f"{MMCIF_FOLDER}/1YJP.cif", 59, 66), + (f"{MMCIF_FOLDER}/1YJP.cif.gz", 59, 66), + (f"{MMCIF_FOLDER}/7ETN.cif", 70, 70), + (f"{MMCIF_FOLDER}/7ETN.cif.gz", 70, 70), + ], +) +def test_n_atoms(mmcif_filename, natoms_protein, natoms_total): + u = mda.Universe(mmcif_filename) + assert len(u.atoms) == natoms_total + assert len(u.select("protein").atoms) == natoms_protein diff --git 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za-oELvhejU;k-G(TH6I=neO(CyE%WPXnjO(W6X#ghe({(s?Oh(f9UCEC{~_j^sCm7 z{@nE&5}U1~6y+n-9HsLEZ@S_0d#3BhqWBkY6mLc+Q?E1sR`H4^^VXEIe`4DLQFB&b zKzcqzE#bSH%zpHv^(j?`xpgBu@@IxCy(jBF-WYMJ{s?!er3WQ9^4yh$W0otujvII0 zu6f^=DD~^tw)pC)W$CQ=UxCksTVv(?-XkrKj3@R&$e_c=t&rvZ%X5wItc>;?6@03P zv@p50ALM`zsJIa(h(hZC literal 0 HcmV?d00001 diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py new file mode 100644 index 00000000000..29d44ce7fe5 --- /dev/null +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -0,0 +1,48 @@ +import glob +import os +from io import StringIO + +import MDAnalysis as mda +import numpy as np +import pytest +from numpy.testing import ( + assert_allclose, + assert_almost_equal, + assert_array_almost_equal, + assert_equal, +) + +from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER + +# FIXME: rewrite tests to read trajectories only once + + +@pytest.mark.parametrize( + "mmcif_filename,n_chains", + [ + (f"{MMCIF_FOLDER}/1YJP.cif", 1), + (f"{MMCIF_FOLDER}/1YJP.cif.gz", 1), + (f"{MMCIF_FOLDER}/7ETN.cif", 2), + (f"{MMCIF_FOLDER}/7ETN.cif.gz", 2), + ], +) +def test_chains(mmcif_filename, n_chains): + u = mda.Universe(mmcif_filename) + assert len(u.segments) == n_chains + + +@pytest.mark.parametrize( + "mmcif_filename,sequence", + [ + (f"{MMCIF_FOLDER}/1YJP.cif", ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TRY"]), + ( + f"{MMCIF_FOLDER}/1YJP.cif.gz", + ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TRY"], + ), + (f"{MMCIF_FOLDER}/7ETN.cif", ["PRO", "PHE", "LEU", "ILE"]), + (f"{MMCIF_FOLDER}/7ETN.cif.gz", ["PRO", "PHE", "LEU", "ILE"]), + ], +) +def test_sequence(mmcif_filename, sequence): + u = mda.Universe(mmcif_filename) + assert [res.resname for res in u.residues] == sequence From b242aa5064ff10ffe9232c3aef7280659b71a89b Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 2 Oct 2024 19:51:52 +0200 Subject: [PATCH 067/133] Update format specifications --- package/MDAnalysis/coordinates/MMCIF.py | 2 +- package/MDAnalysis/topology/MMCIFParser.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index f127c92b0d5..d34b6fb2958 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -45,7 +45,7 @@ class MMCIFReader(base.SingleFrameReaderBase): .. versionadded:: 2.8.0 """ - format = "MMCIF" + format = ["cif", "cif.gz", "mmcif"] units = {"time": None, "length": "Angstrom"} def _read_first_frame(self): diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 757e314ce19..aed69fc5b6f 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -259,7 +259,7 @@ class MMCIFParser(TopologyReaderBase): .. versionadded:: 2.8.0 """ - format = "MMCIF" + format = ["cif", "cif.gz", "mmcif"] def parse(self, **kwargs): """Read the file and return the structure. From 4fc3a783886383e38ad95b456c5a72d61da3558c Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 2 Oct 2024 19:52:03 +0200 Subject: [PATCH 068/133] Write simple tests --- .../MDAnalysisTests/coordinates/test_mmcif.py | 25 +++++++++++++++---- .../MDAnalysisTests/topology/test_mmcif.py | 9 ++++--- 2 files changed, 26 insertions(+), 8 deletions(-) diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py index ec25cd54de5..b29012c2dd7 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -1,6 +1,4 @@ import glob -import os -from io import StringIO import MDAnalysis as mda import numpy as np @@ -34,11 +32,28 @@ def test_works_without_explicit_format(mmcif_filename): [ (f"{MMCIF_FOLDER}/1YJP.cif", 59, 66), (f"{MMCIF_FOLDER}/1YJP.cif.gz", 59, 66), - (f"{MMCIF_FOLDER}/7ETN.cif", 70, 70), - (f"{MMCIF_FOLDER}/7ETN.cif.gz", 70, 70), + (f"{MMCIF_FOLDER}/7ETN.cif", 150, 150), + (f"{MMCIF_FOLDER}/7ETN.cif.gz", 150, 150), ], ) def test_n_atoms(mmcif_filename, natoms_protein, natoms_total): u = mda.Universe(mmcif_filename) assert len(u.atoms) == natoms_total - assert len(u.select("protein").atoms) == natoms_protein + assert len(u.select_atoms("protein").atoms) == natoms_protein + + +@pytest.mark.parametrize( + "mmcif_filename,cell", + [ + ( + f"{MMCIF_FOLDER}/1YJP.cif.gz", + np.array([21.937, 4.866, 23.477, 90.00, 107.08, 90.00]), + ), + ( + f"{MMCIF_FOLDER}/7ETN.cif.gz", + np.array([5.264, 24.967, 20.736, 90.00, 94.85, 90.00]), + ), + ], +) +def test_cell(mmcif_filename, cell): + assert np.allclose(mda.Universe(mmcif_filename).coord._unitcell, cell) diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 29d44ce7fe5..341b5fe5296 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -34,10 +34,10 @@ def test_chains(mmcif_filename, n_chains): @pytest.mark.parametrize( "mmcif_filename,sequence", [ - (f"{MMCIF_FOLDER}/1YJP.cif", ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TRY"]), + (f"{MMCIF_FOLDER}/1YJP.cif", ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TYR"]), ( f"{MMCIF_FOLDER}/1YJP.cif.gz", - ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TRY"], + ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TYR"], ), (f"{MMCIF_FOLDER}/7ETN.cif", ["PRO", "PHE", "LEU", "ILE"]), (f"{MMCIF_FOLDER}/7ETN.cif.gz", ["PRO", "PHE", "LEU", "ILE"]), @@ -45,4 +45,7 @@ def test_chains(mmcif_filename, n_chains): ) def test_sequence(mmcif_filename, sequence): u = mda.Universe(mmcif_filename) - assert [res.resname for res in u.residues] == sequence + in_structure = [ + str(res.resname) for res in u.select_atoms("protein and chainid A").residues + ] + assert in_structure == sequence, ":".join(in_structure) From 14fa7560966401e23a99482a8a25396fd82b52b7 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Sat, 22 Feb 2025 15:03:52 +0100 Subject: [PATCH 069/133] fix actions --- .github/actions/setup-deps/action.yaml | 11 +++++++---- 1 file changed, 7 insertions(+), 4 deletions(-) diff --git a/.github/actions/setup-deps/action.yaml b/.github/actions/setup-deps/action.yaml index 9b4c8042653..b1a08cda783 100644 --- a/.github/actions/setup-deps/action.yaml +++ b/.github/actions/setup-deps/action.yaml @@ -21,8 +21,10 @@ inputs: default: 'codecov' cython: default: 'cython' - filelock: - default: 'filelock' + fasteners: + default: 'fasteners' + gemmi: + default: 'gemmi' griddataformats: default: 'griddataformats' gsd: @@ -59,7 +61,7 @@ inputs: dask: default: 'dask' distopia: - default: 'distopia>=0.4.0' + default: 'distopia>=0.2.0,<0.3.0' h5py: default: 'h5py>=2.10' hole2: @@ -110,7 +112,7 @@ runs: CONDA_MIN_DEPS: | ${{ inputs.codecov }} ${{ inputs.cython }} - ${{ inputs.filelock }} + ${{ inputs.fasteners }} ${{ inputs.griddataformats }} ${{ inputs.hypothesis }} ${{ inputs.matplotlib }} @@ -130,6 +132,7 @@ runs: ${{ inputs.dask }} ${{ inputs.distopia }} ${{ inputs.gsd }} + ${{ inputs.gemmi }} ${{ inputs.h5py }} ${{ inputs.hole2 }} ${{ inputs.joblib }} From e3a9a1f11d656a62da06036cf89770415278234f Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 24 Oct 2024 20:13:33 +0200 Subject: [PATCH 070/133] fix gemmi import errors --- package/MDAnalysis/coordinates/MMCIF.py | 2 +- package/MDAnalysis/topology/MMCIFParser.py | 6 +++--- testsuite/MDAnalysisTests/coordinates/test_mmcif.py | 7 +++++-- testsuite/MDAnalysisTests/topology/test_mmcif.py | 5 +++-- 4 files changed, 12 insertions(+), 8 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index d34b6fb2958..ee8df98d781 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -15,7 +15,7 @@ logger = logging.getLogger("MDAnalysis.coordinates.MMCIF") -def get_coordinates(model: gemmi.Model) -> np.ndarray: +def get_coordinates(model: 'gemmi.Model') -> np.ndarray: """Get coordinates of all atoms in the `gemmi.Model` object. Parameters diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index aed69fc5b6f..2a0adb71704 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -64,7 +64,7 @@ def _into_idx(arr: list) -> list[int]: return [idx for idx, (_, group) in enumerate(itertools.groupby(arr)) for _ in group] -def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: +def get_Atomattrs(model: 'gemmi.Model') -> tuple[list[AtomAttr], np.ndarray]: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.AtomAttr` from a ``gemmi.Model`` object, and a `residx` index with indices of all atoms in residues. @@ -165,7 +165,7 @@ def get_Atomattrs(model: gemmi.Model) -> tuple[list[AtomAttr], np.ndarray]: return attrs, residx -def get_Residueattrs(model: gemmi.Model) -> tuple[list[ResidueAttr], np.ndarray]: +def get_Residueattrs(model: 'gemmi.Model') -> tuple[list[ResidueAttr], np.ndarray]: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.ResidueAttr` from a ``gemmi.Model`` object, and a `segidx` index witn indices of all residues in segments. @@ -214,7 +214,7 @@ def get_Residueattrs(model: gemmi.Model) -> tuple[list[ResidueAttr], np.ndarray] return attrs, segidx -def get_Segmentattrs(model: gemmi.Model) -> SegmentAttr: +def get_Segmentattrs(model: 'gemmi.Model') -> SegmentAttr: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.SegmentAttr` from a ``gemmi.Model`` object. Parameters diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py index b29012c2dd7..10b01f465c3 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -11,22 +11,24 @@ ) from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER - -# FIXME: rewrite tests to read trajectories only once +from MDAnalysis.coordinates.MMCIF import HAS_GEMMI +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize("mmcif_filename", glob.glob(f"{MMCIF_FOLDER}/*.cif*")) def test_works_with_explicit_format(mmcif_filename): u = mda.Universe(mmcif_filename, format="MMCIF") assert u.trajectory.n_atoms > 0 +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize("mmcif_filename", glob.glob(f"{MMCIF_FOLDER}/*.cif*")) def test_works_without_explicit_format(mmcif_filename): u = mda.Universe(mmcif_filename) assert u.trajectory.n_atoms > 0 +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize( "mmcif_filename,natoms_protein,natoms_total", [ @@ -42,6 +44,7 @@ def test_n_atoms(mmcif_filename, natoms_protein, natoms_total): assert len(u.select_atoms("protein").atoms) == natoms_protein +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize( "mmcif_filename,cell", [ diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 341b5fe5296..b4ff08a8a55 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -13,10 +13,10 @@ ) from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER - -# FIXME: rewrite tests to read trajectories only once +from MDAnalysis.coordinates.MMCIF import HAS_GEMMI +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize( "mmcif_filename,n_chains", [ @@ -31,6 +31,7 @@ def test_chains(mmcif_filename, n_chains): assert len(u.segments) == n_chains +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize( "mmcif_filename,sequence", [ From d492b4e83ac344fdc0b1bbcfbce1c11b4a3c5aaf Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 24 Oct 2024 21:25:59 +0200 Subject: [PATCH 071/133] add mmcif testfiles --- testsuite/MDAnalysisTests/data/mmcif/1YJP.cif | 813 +++++++++++ testsuite/MDAnalysisTests/data/mmcif/7ETN.cif | 1251 +++++++++++++++++ 2 files changed, 2064 insertions(+) create mode 100644 testsuite/MDAnalysisTests/data/mmcif/1YJP.cif create mode 100644 testsuite/MDAnalysisTests/data/mmcif/7ETN.cif diff --git a/testsuite/MDAnalysisTests/data/mmcif/1YJP.cif b/testsuite/MDAnalysisTests/data/mmcif/1YJP.cif new file mode 100644 index 00000000000..b0e30c0ddc6 --- /dev/null +++ b/testsuite/MDAnalysisTests/data/mmcif/1YJP.cif @@ -0,0 +1,813 @@ +data_1YJP +# +_entry.id 1YJP +# +_audit.revision_id 1 +_audit.creation_date 2005-01-14 +_audit.update_record 'initial release' +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.387 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 1YJP pdb_00001yjp 10.2210/pdb1yjp/pdb +RCSB RCSB031590 ? ? +WWPDB D_1000031590 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2005-06-14 +2 'Structure model' 1 1 2008-04-30 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2017-10-11 +5 'Structure model' 1 4 2024-02-14 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Refinement description' +4 5 'Structure model' 'Data collection' +5 5 'Structure model' 'Database references' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 4 'Structure model' software +2 5 'Structure model' chem_comp_atom +3 5 'Structure model' chem_comp_bond +4 5 'Structure model' database_2 +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 5 'Structure model' '_database_2.pdbx_DOI' +2 5 'Structure model' '_database_2.pdbx_database_accession' +# +_pdbx_database_status.entry_id 1YJP +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.recvd_initial_deposition_date 2005-01-15 +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry ? +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.status_code_nmr_data ? +# +_pdbx_database_related.db_name PDB +_pdbx_database_related.db_id 1YJO +_pdbx_database_related.details . +_pdbx_database_related.content_type unspecified +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Nelson, R.' 1 +'Sawaya, M.R.' 2 +'Balbirnie, M.' 3 +'Madsen, A.O.' 4 +'Riekel, C.' 5 +'Grothe, R.' 6 +'Eisenberg, D.' 7 +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary 'Structure of the cross-beta spine of amyloid-like fibrils.' Nature 435 773 778 2005 +NATUAS UK 0028-0836 0006 ? 15944695 10.1038/nature03680 +1 'Refinement of Macromolecular Structures by the Maximum-Likelihood Method' 'Acta Crystallogr.,Sect.D' 53 240 255 1997 +ABCRE6 DK 0907-4449 0766 ? ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Nelson, R.' 1 ? +primary 'Sawaya, M.R.' 2 ? +primary 'Balbirnie, M.' 3 ? +primary 'Madsen, A.O.' 4 ? +primary 'Riekel, C.' 5 ? +primary 'Grothe, R.' 6 ? +primary 'Eisenberg, D.' 7 ? +1 'Murshudov, G.N.' 8 ? +1 'Vagin, A.A.' 9 ? +1 'Dodson, E.J.' 10 ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer syn 'Eukaryotic peptide chain release factor GTP-binding subunit' 836.807 1 ? ? 'prion determining domain of Sup35' ? +2 water nat water 18.015 7 ? ? ? ? +# +_entity_name_com.entity_id 1 +_entity_name_com.name +'ERF2, Translation release factor 3, ERF3, ERF-3, Omnipotent suppressor protein 2, G1 to S phase transition protein 1' +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code GNNQQNY +_entity_poly.pdbx_seq_one_letter_code_can GNNQQNY +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.name water +_pdbx_entity_nonpoly.comp_id HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 GLY n +1 2 ASN n +1 3 ASN n +1 4 GLN n +1 5 GLN n +1 6 ASN n +1 7 TYR n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num ? +_pdbx_entity_src_syn.pdbx_end_seq_num ? +_pdbx_entity_src_syn.organism_scientific ? +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id ? +_pdbx_entity_src_syn.details 'This sequence is from the prion determining domain of Saccharomyces cerevisiae Sup35' +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HOH non-polymer . WATER ? 'H2 O' 18.015 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 GLY 1 1 1 GLY GLY A . n +A 1 2 ASN 2 2 2 ASN ASN A . n +A 1 3 ASN 3 3 3 ASN ASN A . n +A 1 4 GLN 4 4 4 GLN GLN A . n +A 1 5 GLN 5 5 5 GLN GLN A . n +A 1 6 ASN 6 6 6 ASN ASN A . n +A 1 7 TYR 7 7 7 TYR TYR A . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 HOH 1 8 8 HOH HOH A . +B 2 HOH 2 9 9 HOH HOH A . +B 2 HOH 3 10 10 HOH HOH A . +B 2 HOH 4 11 11 HOH HOH A . +B 2 HOH 5 12 12 HOH HOH A . +B 2 HOH 6 13 13 HOH HOH A . +B 2 HOH 7 14 14 HOH HOH A . +# +loop_ +_software.name +_software.version +_software.date +_software.type +_software.contact_author +_software.contact_author_email +_software.classification +_software.location +_software.language +_software.citation_id +_software.pdbx_ordinal +REFMAC . ? program 'Murshudov, G.N.' ccp4@dl.ac.uk refinement http://www.ccp4.ac.uk/main.html Fortran ? 1 +DENZO . ? ? ? ? 'data reduction' ? ? ? 2 +SCALEPACK . ? ? ? ? 'data scaling' ? ? ? 3 +# +_cell.entry_id 1YJP +_cell.length_a 21.937 +_cell.length_b 4.866 +_cell.length_c 23.477 +_cell.angle_alpha 90.00 +_cell.angle_beta 107.08 +_cell.angle_gamma 90.00 +_cell.Z_PDB 2 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1YJP +_symmetry.space_group_name_H-M 'P 1 21 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 4 +_symmetry.space_group_name_Hall ? +# +_exptl.method 'X-RAY DIFFRACTION' +_exptl.entry_id 1YJP +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_percent_sol 14.03 +_exptl_crystal.density_Matthews 1.43 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.pH 7 +_exptl_crystal_grow.temp 298 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pdbx_details 'water, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K' +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type MARRESEARCH +_diffrn_detector.pdbx_collection_date 2004-06-12 +_diffrn_detector.details 'Ellipsoidal Mirror' +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.monochromator 'channel-cut Si-111 monochromator' +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.975 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'ESRF BEAMLINE ID13' +_diffrn_source.pdbx_wavelength 0.975 +_diffrn_source.pdbx_wavelength_list 0.975 +_diffrn_source.pdbx_synchrotron_site ESRF +_diffrn_source.pdbx_synchrotron_beamline ID13 +# +_reflns.d_resolution_low 80.00 +_reflns.d_resolution_high 1.80 +_reflns.number_obs 509 +_reflns.percent_possible_obs 89.5 +_reflns.pdbx_Rmerge_I_obs 0.204 +_reflns.pdbx_chi_squared 1.057 +_reflns.entry_id 1YJP +_reflns.observed_criterion_sigma_F 0 +_reflns.observed_criterion_sigma_I 0 +_reflns.number_all 509 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI 3.75 +_reflns.B_iso_Wilson_estimate 45.6 +_reflns.pdbx_redundancy 2.0 +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +# +_reflns_shell.d_res_low 1.94 +_reflns_shell.d_res_high 1.80 +_reflns_shell.number_unique_all 85 +_reflns_shell.percent_possible_all 84.2 +_reflns_shell.Rmerge_I_obs 0.491 +_reflns_shell.pdbx_redundancy ? +_reflns_shell.pdbx_chi_squared 1.092 +_reflns_shell.number_unique_obs ? +_reflns_shell.meanI_over_sigI_obs 1.5 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.percent_possible_obs ? +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.pdbx_diffrn_id ? +_reflns_shell.pdbx_ordinal 1 +# +_refine.entry_id 1YJP +_refine.ls_d_res_high 1.80 +_refine.ls_d_res_low 22.44 +_refine.pdbx_ls_sigma_F 0 +_refine.pdbx_ls_sigma_I 0 +_refine.ls_number_reflns_all 474 +_refine.ls_number_reflns_obs 474 +_refine.ls_number_reflns_R_free 20 +_refine.ls_percent_reflns_obs ? +_refine.ls_R_factor_all 0.18139 +_refine.ls_R_factor_obs 0.18139 +_refine.ls_R_factor_R_work 0.18086 +_refine.ls_R_factor_R_free 0.19014 +_refine.ls_redundancy_reflns_obs ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.pdbx_method_to_determine_struct 'FOURIER SYNTHESIS' +_refine.pdbx_starting_model ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_stereochemistry_target_values 'Engh & Huber' +_refine.solvent_model_details ? +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.pdbx_isotropic_thermal_model ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.details ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_SU_B ? +_refine.overall_SU_ML ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 59 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 7 +_refine_hist.number_atoms_total 66 +_refine_hist.d_res_high 1.80 +_refine_hist.d_res_low 22.44 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.weight +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +r_angle_refined_deg 1.228 ? ? ? 'X-RAY DIFFRACTION' ? +r_bond_refined_d 0.014 ? ? ? 'X-RAY DIFFRACTION' ? +# +_struct.entry_id 1YJP +_struct.title 'Structure of GNNQQNY from yeast prion Sup35' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1YJP +_struct_keywords.pdbx_keywords 'PROTEIN BINDING' +_struct_keywords.text 'beta sheet, steric zipper, glutamine zipper, asparagine zipper, PROTEIN BINDING' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code ERF2_YEAST +_struct_ref.pdbx_db_accession P05453 +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code GNNQQNY +_struct_ref.pdbx_align_begin 7 +_struct_ref.pdbx_db_isoform ? +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1YJP +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 7 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P05453 +_struct_ref_seq.db_align_beg 7 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 13 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 7 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1,2 +_pdbx_struct_assembly_gen.asym_id_list A,B +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +2 'crystal symmetry operation' 2_555 -x,y+1/2,-z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 2.4330000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 +# +_pdbx_database_remark.id 300 +_pdbx_database_remark.text +;BIOMOLECULE: 1 +THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT +WHICH CONSISTS OF 1 CHAIN(S). The second beta strand of +the beta sandwich is generated as described in remark 350. +Beta sheets are generated from unit cell translations +along the unit cell b dimension: x,y+1,z. +; +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ASN N N N N 1 +ASN CA C N S 2 +ASN C C N N 3 +ASN O O N N 4 +ASN CB C N N 5 +ASN CG C N N 6 +ASN OD1 O N N 7 +ASN ND2 N N N 8 +ASN OXT O N N 9 +ASN H H N N 10 +ASN H2 H N N 11 +ASN HA H N N 12 +ASN HB2 H N N 13 +ASN HB3 H N N 14 +ASN HD21 H N N 15 +ASN HD22 H N N 16 +ASN HXT H N N 17 +GLN N N N N 18 +GLN CA C N S 19 +GLN C C N N 20 +GLN O O N N 21 +GLN CB C N N 22 +GLN CG C N N 23 +GLN CD C N N 24 +GLN OE1 O N N 25 +GLN NE2 N N N 26 +GLN OXT O N N 27 +GLN H H N N 28 +GLN H2 H N N 29 +GLN HA H N N 30 +GLN HB2 H N N 31 +GLN HB3 H N N 32 +GLN HG2 H N N 33 +GLN HG3 H N N 34 +GLN HE21 H N N 35 +GLN HE22 H N N 36 +GLN HXT H N N 37 +GLY N N N N 38 +GLY CA C N N 39 +GLY C C N N 40 +GLY O O N N 41 +GLY OXT O N N 42 +GLY H H N N 43 +GLY H2 H N N 44 +GLY HA2 H N N 45 +GLY HA3 H N N 46 +GLY HXT H N N 47 +HOH O O N N 48 +HOH H1 H N N 49 +HOH H2 H N N 50 +TYR N N N N 51 +TYR CA C N S 52 +TYR C C N N 53 +TYR O O N N 54 +TYR CB C N N 55 +TYR CG C Y N 56 +TYR CD1 C Y N 57 +TYR CD2 C Y N 58 +TYR CE1 C Y N 59 +TYR CE2 C Y N 60 +TYR CZ C Y N 61 +TYR OH O N N 62 +TYR OXT O N N 63 +TYR H H N N 64 +TYR H2 H N N 65 +TYR HA H N N 66 +TYR HB2 H N N 67 +TYR HB3 H N N 68 +TYR HD1 H N N 69 +TYR HD2 H N N 70 +TYR HE1 H N N 71 +TYR HE2 H N N 72 +TYR HH H N N 73 +TYR HXT H N N 74 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ASN N CA sing N N 1 +ASN N H sing N N 2 +ASN N H2 sing N N 3 +ASN CA C sing N N 4 +ASN CA CB sing N N 5 +ASN CA HA sing N N 6 +ASN C O doub N N 7 +ASN C OXT sing N N 8 +ASN CB CG sing N N 9 +ASN CB HB2 sing N N 10 +ASN CB HB3 sing N N 11 +ASN CG OD1 doub N N 12 +ASN CG ND2 sing N N 13 +ASN ND2 HD21 sing N N 14 +ASN ND2 HD22 sing N N 15 +ASN OXT HXT sing N N 16 +GLN N CA sing N N 17 +GLN N H sing N N 18 +GLN N H2 sing N N 19 +GLN CA C sing N N 20 +GLN CA CB sing N N 21 +GLN CA HA sing N N 22 +GLN C O doub N N 23 +GLN C OXT sing N N 24 +GLN CB CG sing N N 25 +GLN CB HB2 sing N N 26 +GLN CB HB3 sing N N 27 +GLN CG CD sing N N 28 +GLN CG HG2 sing N N 29 +GLN CG HG3 sing N N 30 +GLN CD OE1 doub N N 31 +GLN CD NE2 sing N N 32 +GLN NE2 HE21 sing N N 33 +GLN NE2 HE22 sing N N 34 +GLN OXT HXT sing N N 35 +GLY N CA sing N N 36 +GLY N H sing N N 37 +GLY N H2 sing N N 38 +GLY CA C sing N N 39 +GLY CA HA2 sing N N 40 +GLY CA HA3 sing N N 41 +GLY C O doub N N 42 +GLY C OXT sing N N 43 +GLY OXT HXT sing N N 44 +HOH O H1 sing N N 45 +HOH O H2 sing N N 46 +TYR N CA sing N N 47 +TYR N H sing N N 48 +TYR N H2 sing N N 49 +TYR CA C sing N N 50 +TYR CA CB sing N N 51 +TYR CA HA sing N N 52 +TYR C O doub N N 53 +TYR C OXT sing N N 54 +TYR CB CG sing N N 55 +TYR CB HB2 sing N N 56 +TYR CB HB3 sing N N 57 +TYR CG CD1 doub Y N 58 +TYR CG CD2 sing Y N 59 +TYR CD1 CE1 sing Y N 60 +TYR CD1 HD1 sing N N 61 +TYR CD2 CE2 doub Y N 62 +TYR CD2 HD2 sing N N 63 +TYR CE1 CZ doub Y N 64 +TYR CE1 HE1 sing N N 65 +TYR CE2 CZ sing Y N 66 +TYR CE2 HE2 sing N N 67 +TYR CZ OH sing N N 68 +TYR OH HH sing N N 69 +TYR OXT HXT sing N N 70 +# +_atom_sites.entry_id 1YJP +_atom_sites.fract_transf_matrix[1][1] 0.045585 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.014006 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.205508 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.044560 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +N +O +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . GLY A 1 1 ? -9.009 4.612 6.102 1.00 16.77 ? 1 GLY A N 1 +ATOM 2 C CA . GLY A 1 1 ? -9.052 4.207 4.651 1.00 16.57 ? 1 GLY A CA 1 +ATOM 3 C C . GLY A 1 1 ? -8.015 3.140 4.419 1.00 16.16 ? 1 GLY A C 1 +ATOM 4 O O . GLY A 1 1 ? -7.523 2.521 5.381 1.00 16.78 ? 1 GLY A O 1 +ATOM 5 N N . ASN A 1 2 ? -7.656 2.923 3.155 1.00 15.02 ? 2 ASN A N 1 +ATOM 6 C CA . ASN A 1 2 ? -6.522 2.038 2.831 1.00 14.10 ? 2 ASN A CA 1 +ATOM 7 C C . ASN A 1 2 ? -5.241 2.537 3.427 1.00 13.13 ? 2 ASN A C 1 +ATOM 8 O O . ASN A 1 2 ? -4.978 3.742 3.426 1.00 11.91 ? 2 ASN A O 1 +ATOM 9 C CB . ASN A 1 2 ? -6.346 1.881 1.341 1.00 15.38 ? 2 ASN A CB 1 +ATOM 10 C CG . ASN A 1 2 ? -7.584 1.342 0.692 1.00 14.08 ? 2 ASN A CG 1 +ATOM 11 O OD1 . ASN A 1 2 ? -8.025 0.227 1.016 1.00 17.46 ? 2 ASN A OD1 1 +ATOM 12 N ND2 . ASN A 1 2 ? -8.204 2.155 -0.169 1.00 11.72 ? 2 ASN A ND2 1 +ATOM 13 N N . ASN A 1 3 ? -4.438 1.590 3.905 1.00 12.26 ? 3 ASN A N 1 +ATOM 14 C CA . ASN A 1 3 ? -3.193 1.904 4.589 1.00 11.74 ? 3 ASN A CA 1 +ATOM 15 C C . ASN A 1 3 ? -1.955 1.332 3.895 1.00 11.10 ? 3 ASN A C 1 +ATOM 16 O O . ASN A 1 3 ? -1.872 0.119 3.648 1.00 10.42 ? 3 ASN A O 1 +ATOM 17 C CB . ASN A 1 3 ? -3.259 1.378 6.042 1.00 12.15 ? 3 ASN A CB 1 +ATOM 18 C CG . ASN A 1 3 ? -2.006 1.739 6.861 1.00 12.82 ? 3 ASN A CG 1 +ATOM 19 O OD1 . ASN A 1 3 ? -1.702 2.925 7.072 1.00 15.05 ? 3 ASN A OD1 1 +ATOM 20 N ND2 . ASN A 1 3 ? -1.271 0.715 7.306 1.00 13.48 ? 3 ASN A ND2 1 +ATOM 21 N N . GLN A 1 4 ? -1.005 2.228 3.598 1.00 10.29 ? 4 GLN A N 1 +ATOM 22 C CA . GLN A 1 4 ? 0.384 1.888 3.199 1.00 10.53 ? 4 GLN A CA 1 +ATOM 23 C C . GLN A 1 4 ? 1.435 2.606 4.088 1.00 10.24 ? 4 GLN A C 1 +ATOM 24 O O . GLN A 1 4 ? 1.547 3.843 4.115 1.00 8.86 ? 4 GLN A O 1 +ATOM 25 C CB . GLN A 1 4 ? 0.656 2.148 1.711 1.00 9.80 ? 4 GLN A CB 1 +ATOM 26 C CG . GLN A 1 4 ? 1.944 1.458 1.213 1.00 10.25 ? 4 GLN A CG 1 +ATOM 27 C CD . GLN A 1 4 ? 2.504 2.044 -0.089 1.00 12.43 ? 4 GLN A CD 1 +ATOM 28 O OE1 . GLN A 1 4 ? 2.744 3.268 -0.190 1.00 14.62 ? 4 GLN A OE1 1 +ATOM 29 N NE2 . GLN A 1 4 ? 2.750 1.161 -1.091 1.00 9.05 ? 4 GLN A NE2 1 +ATOM 30 N N . GLN A 1 5 ? 2.154 1.821 4.871 1.00 10.38 ? 5 GLN A N 1 +ATOM 31 C CA . GLN A 1 5 ? 3.270 2.361 5.640 1.00 11.39 ? 5 GLN A CA 1 +ATOM 32 C C . GLN A 1 5 ? 4.594 1.768 5.172 1.00 11.52 ? 5 GLN A C 1 +ATOM 33 O O . GLN A 1 5 ? 4.768 0.546 5.054 1.00 12.05 ? 5 GLN A O 1 +ATOM 34 C CB . GLN A 1 5 ? 3.056 2.183 7.147 1.00 11.96 ? 5 GLN A CB 1 +ATOM 35 C CG . GLN A 1 5 ? 1.829 2.950 7.647 1.00 10.81 ? 5 GLN A CG 1 +ATOM 36 C CD . GLN A 1 5 ? 1.344 2.414 8.954 1.00 13.10 ? 5 GLN A CD 1 +ATOM 37 O OE1 . GLN A 1 5 ? 0.774 1.325 9.002 1.00 10.65 ? 5 GLN A OE1 1 +ATOM 38 N NE2 . GLN A 1 5 ? 1.549 3.187 10.039 1.00 12.30 ? 5 GLN A NE2 1 +ATOM 39 N N . ASN A 1 6 ? 5.514 2.664 4.856 1.00 11.99 ? 6 ASN A N 1 +ATOM 40 C CA . ASN A 1 6 ? 6.831 2.310 4.318 1.00 12.30 ? 6 ASN A CA 1 +ATOM 41 C C . ASN A 1 6 ? 7.854 2.761 5.324 1.00 13.40 ? 6 ASN A C 1 +ATOM 42 O O . ASN A 1 6 ? 8.219 3.943 5.374 1.00 13.92 ? 6 ASN A O 1 +ATOM 43 C CB . ASN A 1 6 ? 7.065 3.016 2.993 1.00 12.13 ? 6 ASN A CB 1 +ATOM 44 C CG . ASN A 1 6 ? 5.961 2.735 2.003 1.00 12.77 ? 6 ASN A CG 1 +ATOM 45 O OD1 . ASN A 1 6 ? 5.798 1.604 1.551 1.00 14.27 ? 6 ASN A OD1 1 +ATOM 46 N ND2 . ASN A 1 6 ? 5.195 3.747 1.679 1.00 10.07 ? 6 ASN A ND2 1 +ATOM 47 N N . TYR A 1 7 ? 8.292 1.817 6.147 1.00 14.70 ? 7 TYR A N 1 +ATOM 48 C CA . TYR A 1 7 ? 9.159 2.144 7.299 1.00 15.18 ? 7 TYR A CA 1 +ATOM 49 C C . TYR A 1 7 ? 10.603 2.331 6.885 1.00 15.91 ? 7 TYR A C 1 +ATOM 50 O O . TYR A 1 7 ? 11.041 1.811 5.855 1.00 15.76 ? 7 TYR A O 1 +ATOM 51 C CB . TYR A 1 7 ? 9.061 1.065 8.369 1.00 15.35 ? 7 TYR A CB 1 +ATOM 52 C CG . TYR A 1 7 ? 7.665 0.929 8.902 1.00 14.45 ? 7 TYR A CG 1 +ATOM 53 C CD1 . TYR A 1 7 ? 6.771 0.021 8.327 1.00 15.68 ? 7 TYR A CD1 1 +ATOM 54 C CD2 . TYR A 1 7 ? 7.210 1.756 9.920 1.00 14.80 ? 7 TYR A CD2 1 +ATOM 55 C CE1 . TYR A 1 7 ? 5.480 -0.094 8.796 1.00 13.46 ? 7 TYR A CE1 1 +ATOM 56 C CE2 . TYR A 1 7 ? 5.904 1.649 10.416 1.00 14.33 ? 7 TYR A CE2 1 +ATOM 57 C CZ . TYR A 1 7 ? 5.047 0.729 9.831 1.00 15.09 ? 7 TYR A CZ 1 +ATOM 58 O OH . TYR A 1 7 ? 3.766 0.589 10.291 1.00 14.39 ? 7 TYR A OH 1 +ATOM 59 O OXT . TYR A 1 7 ? 11.358 2.999 7.612 1.00 17.49 ? 7 TYR A OXT 1 +HETATM 60 O O . HOH B 2 . ? -6.471 5.227 7.124 1.00 22.62 ? 8 HOH A O 1 +HETATM 61 O O . HOH B 2 . ? 10.431 1.858 3.216 1.00 19.71 ? 9 HOH A O 1 +HETATM 62 O O . HOH B 2 . ? -11.286 1.756 -1.468 1.00 17.08 ? 10 HOH A O 1 +HETATM 63 O O . HOH B 2 . ? 11.808 4.179 9.970 1.00 23.99 ? 11 HOH A O 1 +HETATM 64 O O . HOH B 2 . ? 13.605 1.327 9.198 1.00 26.17 ? 12 HOH A O 1 +HETATM 65 O O . HOH B 2 . ? -2.749 3.429 10.024 1.00 39.15 ? 13 HOH A O 1 +HETATM 66 O O . HOH B 2 . ? -1.500 0.682 10.967 1.00 43.49 ? 14 HOH A O 1 +# diff --git a/testsuite/MDAnalysisTests/data/mmcif/7ETN.cif b/testsuite/MDAnalysisTests/data/mmcif/7ETN.cif new file mode 100644 index 00000000000..944c4838572 --- /dev/null +++ b/testsuite/MDAnalysisTests/data/mmcif/7ETN.cif @@ -0,0 +1,1251 @@ +data_7ETN +# +_entry.id 7ETN +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.392 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 7ETN pdb_00007etn 10.2210/pdb7etn/pdb +WWPDB D_1300022157 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2022-05-25 +2 'Structure model' 1 1 2024-05-29 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +_pdbx_audit_revision_group.ordinal 1 +_pdbx_audit_revision_group.revision_ordinal 2 +_pdbx_audit_revision_group.data_content_type 'Structure model' +_pdbx_audit_revision_group.group 'Data collection' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 2 'Structure model' chem_comp_atom +2 2 'Structure model' chem_comp_bond +# +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 7ETN +_pdbx_database_status.recvd_initial_deposition_date 2021-05-13 +_pdbx_database_status.SG_entry N +_pdbx_database_status.deposit_site PDBJ +_pdbx_database_status.process_site PDBJ +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.status_code_nmr_data ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible Y +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Kurumida, Y.' 1 0000-0003-2696-154X +'Ikeda, K.' 2 0000-0003-3217-5713 +'Nakamichi, Y.' 3 0000-0001-7089-663X +'Hirano, A.' 4 0000-0002-4138-0308 +'Kobayashi, K.' 5 0000-0002-2662-2452 +'Saito, Y.' 6 0000-0002-4853-0153 +'Kameda, T.' 7 0000-0001-9508-5366 +# +_citation.abstract ? +_citation.abstract_id_CAS ? +_citation.book_id_ISBN ? +_citation.book_publisher ? +_citation.book_publisher_city ? +_citation.book_title ? +_citation.coordinate_linkage ? +_citation.country ? +_citation.database_id_Medline ? +_citation.details ? +_citation.id primary +_citation.journal_abbrev 'To Be Published' +_citation.journal_id_ASTM ? +_citation.journal_id_CSD 0353 +_citation.journal_id_ISSN ? +_citation.journal_full ? +_citation.journal_issue ? +_citation.journal_volume ? +_citation.language ? +_citation.page_first ? +_citation.page_last ? +_citation.title 'Crystal structure of Pro-Phe-Leu-Ile' +_citation.year ? +_citation.database_id_CSD ? +_citation.pdbx_database_id_DOI ? +_citation.pdbx_database_id_PubMed ? +_citation.pdbx_database_id_patent ? +_citation.unpublished_flag ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Kurumida, Y.' 1 0000-0003-2696-154X +primary 'Ikeda, K.' 2 0000-0003-3217-5713 +primary 'Nakamichi, Y.' 3 0000-0001-7089-663X +primary 'Hirano, A.' 4 0000-0002-4138-0308 +primary 'Kobayashi, K.' 5 0000-0002-2662-2452 +primary 'Saito, Y.' 6 0000-0002-4853-0153 +primary 'Kameda, T.' 7 0000-0001-9508-5366 +# +_entity.id 1 +_entity.type polymer +_entity.src_method syn +_entity.pdbx_description PRO-PHE-LEU-ILE +_entity.formula_weight 488.619 +_entity.pdbx_number_of_molecules 2 +_entity.pdbx_ec ? +_entity.pdbx_mutation ? +_entity.pdbx_fragment ? +_entity.details ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code PFLI +_entity_poly.pdbx_seq_one_letter_code_can PFLI +_entity_poly.pdbx_strand_id A,B +_entity_poly.pdbx_target_identifier ? +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 PRO n +1 2 PHE n +1 3 LEU n +1 4 ILE n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num 1 +_pdbx_entity_src_syn.pdbx_end_seq_num 4 +_pdbx_entity_src_syn.organism_scientific 'synthetic construct' +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id 32630 +_pdbx_entity_src_syn.details ? +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 PRO 1 1 1 PRO PRO A . n +A 1 2 PHE 2 2 2 PHE PHE A . n +A 1 3 LEU 3 3 3 LEU LEU A . n +A 1 4 ILE 4 4 4 ILE ILE A . n +B 1 1 PRO 1 1 1 PRO PRO B . n +B 1 2 PHE 2 2 2 PHE PHE B . n +B 1 3 LEU 3 3 3 LEU LEU B . n +B 1 4 ILE 4 4 4 ILE ILE B . n +# +loop_ +_software.citation_id +_software.classification +_software.compiler_name +_software.compiler_version +_software.contact_author +_software.contact_author_email +_software.date +_software.description +_software.dependencies +_software.hardware +_software.language +_software.location +_software.mods +_software.name +_software.os +_software.os_version +_software.type +_software.version +_software.pdbx_ordinal +? refinement ? ? ? ? ? ? ? ? ? ? ? SHELX ? ? ? . 1 +? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 +? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? . 3 +? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.27 4 +? phasing ? ? ? ? ? ? ? ? ? ? ? SHELXT ? ? ? . 5 +# +_cell.angle_alpha 90.000 +_cell.angle_alpha_esd ? +_cell.angle_beta 94.850 +_cell.angle_beta_esd ? +_cell.angle_gamma 90.000 +_cell.angle_gamma_esd ? +_cell.entry_id 7ETN +_cell.details ? +_cell.formula_units_Z ? +_cell.length_a 5.264 +_cell.length_a_esd ? +_cell.length_b 24.967 +_cell.length_b_esd ? +_cell.length_c 20.736 +_cell.length_c_esd ? +_cell.volume ? +_cell.volume_esd ? +_cell.Z_PDB 4 +_cell.reciprocal_angle_alpha ? +_cell.reciprocal_angle_beta ? +_cell.reciprocal_angle_gamma ? +_cell.reciprocal_angle_alpha_esd ? +_cell.reciprocal_angle_beta_esd ? +_cell.reciprocal_angle_gamma_esd ? +_cell.reciprocal_length_a ? +_cell.reciprocal_length_b ? +_cell.reciprocal_length_c ? +_cell.reciprocal_length_a_esd ? +_cell.reciprocal_length_b_esd ? +_cell.reciprocal_length_c_esd ? +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 7ETN +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 4 +_symmetry.space_group_name_Hall ? +_symmetry.space_group_name_H-M 'P 1 21 1' +_symmetry.pdbx_full_space_group_name_H-M ? +# +_exptl.absorpt_coefficient_mu ? +_exptl.absorpt_correction_T_max ? +_exptl.absorpt_correction_T_min ? +_exptl.absorpt_correction_type ? +_exptl.absorpt_process_details ? +_exptl.entry_id 7ETN +_exptl.crystals_number 1 +_exptl.details ? +_exptl.method 'X-RAY DIFFRACTION' +_exptl.method_details ? +# +_exptl_crystal.colour ? +_exptl_crystal.density_diffrn ? +_exptl_crystal.density_Matthews ? +_exptl_crystal.density_method ? +_exptl_crystal.density_percent_sol ? +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.id 1 +_exptl_crystal.preparation ? +_exptl_crystal.size_max ? +_exptl_crystal.size_mid ? +_exptl_crystal.size_min ? +_exptl_crystal.size_rad ? +_exptl_crystal.colour_lustre ? +_exptl_crystal.colour_modifier ? +_exptl_crystal.colour_primary ? +_exptl_crystal.density_meas ? +_exptl_crystal.density_meas_esd ? +_exptl_crystal.density_meas_gt ? +_exptl_crystal.density_meas_lt ? +_exptl_crystal.density_meas_temp ? +_exptl_crystal.density_meas_temp_esd ? +_exptl_crystal.density_meas_temp_gt ? +_exptl_crystal.density_meas_temp_lt ? +_exptl_crystal.pdbx_crystal_image_url ? +_exptl_crystal.pdbx_crystal_image_format ? +_exptl_crystal.pdbx_mosaicity ? +_exptl_crystal.pdbx_mosaicity_esd ? +# +_exptl_crystal_grow.apparatus ? +_exptl_crystal_grow.atmosphere ? +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.details ? +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.method_ref ? +_exptl_crystal_grow.pH 7.0 +_exptl_crystal_grow.pressure ? +_exptl_crystal_grow.pressure_esd ? +_exptl_crystal_grow.seeding ? +_exptl_crystal_grow.seeding_ref ? +_exptl_crystal_grow.temp 293 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.temp_esd ? +_exptl_crystal_grow.time ? +_exptl_crystal_grow.pdbx_details '100 mM MOPS, 5 mM EDTA-2Na' +_exptl_crystal_grow.pdbx_pH_range ? +# +_diffrn.ambient_environment ? +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.ambient_temp_esd ? +_diffrn.crystal_id 1 +_diffrn.crystal_support ? +_diffrn.crystal_treatment ? +_diffrn.details ? +_diffrn.id 1 +_diffrn.ambient_pressure ? +_diffrn.ambient_pressure_esd ? +_diffrn.ambient_pressure_gt ? +_diffrn.ambient_pressure_lt ? +_diffrn.ambient_temp_gt ? +_diffrn.ambient_temp_lt ? +_diffrn.pdbx_serial_crystal_experiment N +# +_diffrn_detector.details ? +_diffrn_detector.detector PIXEL +_diffrn_detector.diffrn_id 1 +_diffrn_detector.type 'DECTRIS EIGER X 16M' +_diffrn_detector.area_resol_mean ? +_diffrn_detector.dtime ? +_diffrn_detector.pdbx_frames_total ? +_diffrn_detector.pdbx_collection_time_total ? +_diffrn_detector.pdbx_collection_date 2020-02-17 +_diffrn_detector.pdbx_frequency ? +# +_diffrn_radiation.collimation ? +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.filter_edge ? +_diffrn_radiation.inhomogeneity ? +_diffrn_radiation.monochromator ? +_diffrn_radiation.polarisn_norm ? +_diffrn_radiation.polarisn_ratio ? +_diffrn_radiation.probe ? +_diffrn_radiation.type ? +_diffrn_radiation.xray_symbol ? +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_wavelength_list ? +_diffrn_radiation.pdbx_wavelength ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_analyzer ? +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.7 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.current ? +_diffrn_source.details ? +_diffrn_source.diffrn_id 1 +_diffrn_source.power ? +_diffrn_source.size ? +_diffrn_source.source SYNCHROTRON +_diffrn_source.target ? +_diffrn_source.type 'SPRING-8 BEAMLINE BL44XU' +_diffrn_source.voltage ? +_diffrn_source.take-off_angle ? +_diffrn_source.pdbx_wavelength_list 0.7 +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_synchrotron_beamline BL44XU +_diffrn_source.pdbx_synchrotron_site SPring-8 +# +_reflns.B_iso_Wilson_estimate 6.112 +_reflns.entry_id 7ETN +_reflns.data_reduction_details ? +_reflns.data_reduction_method ? +_reflns.d_resolution_high 0.820 +_reflns.d_resolution_low 20.55 +_reflns.details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.number_all ? +_reflns.number_obs 9768 +_reflns.observed_criterion ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.observed_criterion_I_max ? +_reflns.observed_criterion_I_min ? +_reflns.observed_criterion_sigma_F ? +_reflns.observed_criterion_sigma_I ? +_reflns.percent_possible_obs 95.500 +_reflns.R_free_details ? +_reflns.Rmerge_F_all ? +_reflns.Rmerge_F_obs ? +_reflns.Friedel_coverage ? +_reflns.number_gt ? +_reflns.threshold_expression ? +_reflns.pdbx_redundancy 2.795 +_reflns.pdbx_Rmerge_I_obs 0.081 +_reflns.pdbx_Rmerge_I_all ? +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_av_sigmaI ? +_reflns.pdbx_netI_over_sigmaI 12.020 +_reflns.pdbx_res_netI_over_av_sigmaI_2 ? +_reflns.pdbx_res_netI_over_sigmaI_2 ? +_reflns.pdbx_chi_squared 0.865 +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_d_res_high_opt ? +_reflns.pdbx_d_res_low_opt ? +_reflns.pdbx_d_res_opt_method ? +_reflns.phase_calculation_details ? +_reflns.pdbx_Rrim_I_all 0.101 +_reflns.pdbx_Rpim_I_all ? +_reflns.pdbx_d_opt ? +_reflns.pdbx_number_measured_all ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.pdbx_CC_half 0.990 +_reflns.pdbx_CC_star ? +_reflns.pdbx_R_split ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2] ? +_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3] ? +_reflns.pdbx_aniso_diffraction_limit_1 ? +_reflns.pdbx_aniso_diffraction_limit_2 ? +_reflns.pdbx_aniso_diffraction_limit_3 ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2] ? +_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3] ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_1 ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_2 ? +_reflns.pdbx_aniso_B_tensor_eigenvalue_3 ? +_reflns.pdbx_orthogonalization_convention ? +_reflns.pdbx_percent_possible_ellipsoidal ? +_reflns.pdbx_percent_possible_spherical ? +_reflns.pdbx_percent_possible_ellipsoidal_anomalous ? +_reflns.pdbx_percent_possible_spherical_anomalous ? +_reflns.pdbx_redundancy_anomalous ? +_reflns.pdbx_CC_half_anomalous ? +_reflns.pdbx_absDiff_over_sigma_anomalous ? +_reflns.pdbx_percent_possible_anomalous ? +_reflns.pdbx_observed_signal_threshold ? +_reflns.pdbx_signal_type ? +_reflns.pdbx_signal_details ? +_reflns.pdbx_signal_software_id ? +# +loop_ +_reflns_shell.d_res_high +_reflns_shell.d_res_low +_reflns_shell.meanI_over_sigI_all +_reflns_shell.meanI_over_sigI_obs +_reflns_shell.number_measured_all +_reflns_shell.number_measured_obs +_reflns_shell.number_possible +_reflns_shell.number_unique_all +_reflns_shell.number_unique_obs +_reflns_shell.percent_possible_all +_reflns_shell.percent_possible_obs +_reflns_shell.Rmerge_F_all +_reflns_shell.Rmerge_F_obs +_reflns_shell.Rmerge_I_all +_reflns_shell.Rmerge_I_obs +_reflns_shell.meanI_over_sigI_gt +_reflns_shell.meanI_over_uI_all +_reflns_shell.meanI_over_uI_gt +_reflns_shell.number_measured_gt +_reflns_shell.number_unique_gt +_reflns_shell.percent_possible_gt +_reflns_shell.Rmerge_F_gt +_reflns_shell.Rmerge_I_gt +_reflns_shell.pdbx_redundancy +_reflns_shell.pdbx_Rsym_value +_reflns_shell.pdbx_chi_squared +_reflns_shell.pdbx_netI_over_sigmaI_all +_reflns_shell.pdbx_netI_over_sigmaI_obs +_reflns_shell.pdbx_Rrim_I_all +_reflns_shell.pdbx_Rpim_I_all +_reflns_shell.pdbx_rejects +_reflns_shell.pdbx_ordinal +_reflns_shell.pdbx_diffrn_id +_reflns_shell.pdbx_CC_half +_reflns_shell.pdbx_CC_star +_reflns_shell.pdbx_R_split +_reflns_shell.pdbx_percent_possible_ellipsoidal +_reflns_shell.pdbx_percent_possible_spherical +_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous +_reflns_shell.pdbx_percent_possible_spherical_anomalous +_reflns_shell.pdbx_redundancy_anomalous +_reflns_shell.pdbx_CC_half_anomalous +_reflns_shell.pdbx_absDiff_over_sigma_anomalous +_reflns_shell.pdbx_percent_possible_anomalous +0.820 0.840 ? 4.470 ? ? ? ? 702 91.200 ? ? ? ? 0.346 ? ? ? ? ? ? ? ? 2.771 ? ? ? ? 0.428 ? ? 1 1 0.861 ? ? ? ? ? ? ? ? ? ? +0.840 0.860 ? 4.830 ? ? ? ? 699 90.400 ? ? ? ? 0.311 ? ? ? ? ? ? ? ? 2.645 ? ? ? ? 0.385 ? ? 2 1 0.879 ? ? ? ? ? ? ? ? ? ? +0.860 0.890 ? 6.220 ? ? ? ? 637 89.700 ? ? ? ? 0.220 ? ? ? ? ? ? ? ? 2.625 ? ? ? ? 0.274 ? ? 3 1 0.929 ? ? ? ? ? ? ? ? ? ? +0.890 0.920 ? 6.830 ? ? ? ? 636 95.900 ? ? ? ? 0.196 ? ? ? ? ? ? ? ? 2.714 ? ? ? ? 0.240 ? ? 4 1 0.949 ? ? ? ? ? ? ? ? ? ? +0.920 0.950 ? 8.570 ? ? ? ? 631 96.300 ? ? ? ? 0.164 ? ? ? ? ? ? ? ? 2.894 ? ? ? ? 0.202 ? ? 5 1 0.945 ? ? ? ? ? ? ? ? ? ? +0.950 0.980 ? 9.520 ? ? ? ? 647 96.600 ? ? ? ? 0.142 ? ? ? ? ? ? ? ? 2.847 ? ? ? ? 0.174 ? ? 6 1 0.962 ? ? ? ? ? ? ? ? ? ? +0.980 1.020 ? 10.870 ? ? ? ? 591 93.200 ? ? ? ? 0.126 ? ? ? ? ? ? ? ? 2.897 ? ? ? ? 0.154 ? ? 7 1 0.969 ? ? ? ? ? ? ? ? ? ? +1.020 1.060 ? 12.320 ? ? ? ? 584 93.400 ? ? ? ? 0.122 ? ? ? ? ? ? ? ? 2.788 ? ? ? ? 0.150 ? ? 8 1 0.966 ? ? ? ? ? ? ? ? ? ? +1.060 1.110 ? 13.730 ? ? ? ? 537 97.600 ? ? ? ? 0.112 ? ? ? ? ? ? ? ? 2.834 ? ? ? ? 0.138 ? ? 9 1 0.970 ? ? ? ? ? ? ? ? ? ? +1.110 1.160 ? 14.490 ? ? ? ? 532 97.300 ? ? ? ? 0.102 ? ? ? ? ? ? ? ? 2.586 ? ? ? ? 0.127 ? ? 10 1 0.972 ? ? ? ? ? ? ? ? ? ? +1.160 1.220 ? 14.630 ? ? ? ? 530 97.800 ? ? ? ? 0.093 ? ? ? ? ? ? ? ? 2.649 ? ? ? ? 0.116 ? ? 11 1 0.974 ? ? ? ? ? ? ? ? ? ? +1.220 1.300 ? 15.250 ? ? ? ? 522 96.700 ? ? ? ? 0.098 ? ? ? ? ? ? ? ? 2.943 ? ? ? ? 0.119 ? ? 12 1 0.977 ? ? ? ? ? ? ? ? ? ? +1.300 1.390 ? 15.890 ? ? ? ? 429 98.800 ? ? ? ? 0.080 ? ? ? ? ? ? ? ? 3.009 ? ? ? ? 0.099 ? ? 13 1 0.985 ? ? ? ? ? ? ? ? ? ? +1.390 1.500 ? 16.950 ? ? ? ? 415 99.300 ? ? ? ? 0.086 ? ? ? ? ? ? ? ? 2.995 ? ? ? ? 0.107 ? ? 14 1 0.966 ? ? ? ? ? ? ? ? ? ? +1.500 1.640 ? 17.860 ? ? ? ? 412 99.300 ? ? ? ? 0.077 ? ? ? ? ? ? ? ? 2.888 ? ? ? ? 0.096 ? ? 15 1 0.975 ? ? ? ? ? ? ? ? ? ? +1.640 1.830 ? 18.390 ? ? ? ? 372 98.700 ? ? ? ? 0.065 ? ? ? ? ? ? ? ? 2.780 ? ? ? ? 0.080 ? ? 16 1 0.987 ? ? ? ? ? ? ? ? ? ? +1.830 2.120 ? 18.910 ? ? ? ? 289 98.600 ? ? ? ? 0.062 ? ? ? ? ? ? ? ? 2.682 ? ? ? ? 0.078 ? ? 17 1 0.989 ? ? ? ? ? ? ? ? ? ? +2.120 2.590 ? 20.510 ? ? ? ? 297 99.700 ? ? ? ? 0.057 ? ? ? ? ? ? ? ? 2.747 ? ? ? ? 0.072 ? ? 18 1 0.992 ? ? ? ? ? ? ? ? ? ? +2.590 3.670 ? 22.830 ? ? ? ? 190 99.000 ? ? ? ? 0.049 ? ? ? ? ? ? ? ? 3.079 ? ? ? ? 0.060 ? ? 19 1 0.993 ? ? ? ? ? ? ? ? ? ? +3.670 20.55 ? 22.750 ? ? ? ? 116 99.100 ? ? ? ? 0.066 ? ? ? ? ? ? ? ? 2.836 ? ? ? ? 0.084 ? ? 20 1 0.983 ? ? ? ? ? ? ? ? ? ? +# +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.B_iso_max 9.850 +_refine.B_iso_mean 4.8465 +_refine.B_iso_min 2.950 +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.details ? +_refine.diff_density_max ? +_refine.diff_density_max_esd ? +_refine.diff_density_min ? +_refine.diff_density_min_esd ? +_refine.diff_density_rms ? +_refine.diff_density_rms_esd ? +_refine.entry_id 7ETN +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.ls_abs_structure_details ? +_refine.ls_abs_structure_Flack ? +_refine.ls_abs_structure_Flack_esd ? +_refine.ls_abs_structure_Rogers ? +_refine.ls_abs_structure_Rogers_esd ? +_refine.ls_d_res_high 0.82 +_refine.ls_d_res_low 20.55 +_refine.ls_extinction_coef ? +_refine.ls_extinction_coef_esd ? +_refine.ls_extinction_expression ? +_refine.ls_extinction_method ? +_refine.ls_goodness_of_fit_all ? +_refine.ls_goodness_of_fit_all_esd ? +_refine.ls_goodness_of_fit_obs ? +_refine.ls_goodness_of_fit_obs_esd ? +_refine.ls_hydrogen_treatment ? +_refine.ls_matrix_type ? +_refine.ls_number_constraints ? +_refine.ls_number_parameters ? +_refine.ls_number_reflns_all ? +_refine.ls_number_reflns_obs 9285 +_refine.ls_number_reflns_R_free 483 +_refine.ls_number_reflns_R_work ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_obs 96.0 +_refine.ls_percent_reflns_R_free ? +_refine.ls_R_factor_all ? +_refine.ls_R_factor_obs ? +_refine.ls_R_factor_R_free 0.0873 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_R_factor_R_work 0.0692 +_refine.ls_R_Fsqd_factor_obs ? +_refine.ls_R_I_factor_obs ? +_refine.ls_redundancy_reflns_all ? +_refine.ls_redundancy_reflns_obs ? +_refine.ls_restrained_S_all ? +_refine.ls_restrained_S_obs ? +_refine.ls_shift_over_esd_max ? +_refine.ls_shift_over_esd_mean ? +_refine.ls_structure_factor_coef ? +_refine.ls_weighting_details ? +_refine.ls_weighting_scheme ? +_refine.ls_wR_factor_all ? +_refine.ls_wR_factor_obs ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.solvent_model_details ? +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.pdbx_R_complete ? +_refine.ls_R_factor_gt ? +_refine.ls_goodness_of_fit_gt ? +_refine.ls_goodness_of_fit_ref ? +_refine.ls_shift_over_su_max ? +_refine.ls_shift_over_su_max_lt ? +_refine.ls_shift_over_su_mean ? +_refine.ls_shift_over_su_mean_lt ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F ? +_refine.pdbx_ls_sigma_Fsqd ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' +_refine.pdbx_method_to_determine_struct 'AB INITIO PHASING' +_refine.pdbx_starting_model ? +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.pdbx_real_space_R ? +_refine.pdbx_density_correlation ? +_refine.pdbx_pd_number_of_powder_patterns ? +_refine.pdbx_pd_number_of_points ? +_refine.pdbx_pd_meas_number_of_points ? +_refine.pdbx_pd_proc_ls_prof_R_factor ? +_refine.pdbx_pd_proc_ls_prof_wR_factor ? +_refine.pdbx_pd_Marquardt_correlation_coeff ? +_refine.pdbx_pd_Fsqrd_R_factor ? +_refine.pdbx_pd_ls_matrix_band_width ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_diffrn_id 1 +_refine.overall_SU_B ? +_refine.overall_SU_ML ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_average_fsc_overall ? +_refine.pdbx_average_fsc_work ? +_refine.pdbx_average_fsc_free ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.details ? +_refine_hist.d_res_high 0.82 +_refine_hist.d_res_low 20.55 +_refine_hist.number_atoms_solvent 0 +_refine_hist.number_atoms_total 70 +_refine_hist.number_reflns_all ? +_refine_hist.number_reflns_obs ? +_refine_hist.number_reflns_R_free ? +_refine_hist.number_reflns_R_work ? +_refine_hist.R_factor_all ? +_refine_hist.R_factor_obs ? +_refine_hist.R_factor_R_free ? +_refine_hist.R_factor_R_work ? +_refine_hist.pdbx_number_residues_total ? +_refine_hist.pdbx_B_iso_mean_ligand ? +_refine_hist.pdbx_B_iso_mean_solvent ? +_refine_hist.pdbx_number_atoms_protein 70 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.pdbx_number_atoms_lipid ? +_refine_hist.pdbx_number_atoms_carb ? +_refine_hist.pdbx_pseudo_atom_details ? +# +_struct.entry_id 7ETN +_struct.title 'Crystal structure of Pro-Phe-Leu-Ile' +_struct.pdbx_model_details ? +_struct.pdbx_formula_weight ? +_struct.pdbx_formula_weight_method ? +_struct.pdbx_model_type_details ? +_struct.pdbx_CASP_flag N +# +_struct_keywords.entry_id 7ETN +_struct_keywords.text 'Synthetic peptide, UNKNOWN FUNCTION' +_struct_keywords.pdbx_keywords 'UNKNOWN FUNCTION' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 1 ? +# +_struct_ref.id 1 +_struct_ref.db_name PDB +_struct_ref.db_code 7ETN +_struct_ref.pdbx_db_accession 7ETN +_struct_ref.pdbx_db_isoform ? +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code ? +_struct_ref.pdbx_align_begin 1 +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 7ETN A 1 ? 4 ? 7ETN 1 ? 4 ? 1 4 +2 1 7ETN B 1 ? 4 ? 7ETN 1 ? 4 ? 1 4 +# +loop_ +_pdbx_struct_assembly.id +_pdbx_struct_assembly.details +_pdbx_struct_assembly.method_details +_pdbx_struct_assembly.oligomeric_details +_pdbx_struct_assembly.oligomeric_count +1 author_defined_assembly ? monomeric 1 +2 author_defined_assembly ? monomeric 1 +# +loop_ +_pdbx_struct_assembly_gen.assembly_id +_pdbx_struct_assembly_gen.oper_expression +_pdbx_struct_assembly_gen.asym_id_list +1 1 A +2 1 B +# +_pdbx_struct_assembly_auth_evidence.id 1 +_pdbx_struct_assembly_auth_evidence.assembly_id 1 +_pdbx_struct_assembly_auth_evidence.experimental_support none +_pdbx_struct_assembly_auth_evidence.details ? +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ILE N N N N 1 +ILE CA C N S 2 +ILE C C N N 3 +ILE O O N N 4 +ILE CB C N S 5 +ILE CG1 C N N 6 +ILE CG2 C N N 7 +ILE CD1 C N N 8 +ILE OXT O N N 9 +ILE H H N N 10 +ILE H2 H N N 11 +ILE HA H N N 12 +ILE HB H N N 13 +ILE HG12 H N N 14 +ILE HG13 H N N 15 +ILE HG21 H N N 16 +ILE HG22 H N N 17 +ILE HG23 H N N 18 +ILE HD11 H N N 19 +ILE HD12 H N N 20 +ILE HD13 H N N 21 +ILE HXT H N N 22 +LEU N N N N 23 +LEU CA C N S 24 +LEU C C N N 25 +LEU O O N N 26 +LEU CB C N N 27 +LEU CG C N N 28 +LEU CD1 C N N 29 +LEU CD2 C N N 30 +LEU OXT O N N 31 +LEU H H N N 32 +LEU H2 H N N 33 +LEU HA H N N 34 +LEU HB2 H N N 35 +LEU HB3 H N N 36 +LEU HG H N N 37 +LEU HD11 H N N 38 +LEU HD12 H N N 39 +LEU HD13 H N N 40 +LEU HD21 H N N 41 +LEU HD22 H N N 42 +LEU HD23 H N N 43 +LEU HXT H N N 44 +PHE N N N N 45 +PHE CA C N S 46 +PHE C C N N 47 +PHE O O N N 48 +PHE CB C N N 49 +PHE CG C Y N 50 +PHE CD1 C Y N 51 +PHE CD2 C Y N 52 +PHE CE1 C Y N 53 +PHE CE2 C Y N 54 +PHE CZ C Y N 55 +PHE OXT O N N 56 +PHE H H N N 57 +PHE H2 H N N 58 +PHE HA H N N 59 +PHE HB2 H N N 60 +PHE HB3 H N N 61 +PHE HD1 H N N 62 +PHE HD2 H N N 63 +PHE HE1 H N N 64 +PHE HE2 H N N 65 +PHE HZ H N N 66 +PHE HXT H N N 67 +PRO N N N N 68 +PRO CA C N S 69 +PRO C C N N 70 +PRO O O N N 71 +PRO CB C N N 72 +PRO CG C N N 73 +PRO CD C N N 74 +PRO OXT O N N 75 +PRO H H N N 76 +PRO HA H N N 77 +PRO HB2 H N N 78 +PRO HB3 H N N 79 +PRO HG2 H N N 80 +PRO HG3 H N N 81 +PRO HD2 H N N 82 +PRO HD3 H N N 83 +PRO HXT H N N 84 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ILE N CA sing N N 1 +ILE N H sing N N 2 +ILE N H2 sing N N 3 +ILE CA C sing N N 4 +ILE CA CB sing N N 5 +ILE CA HA sing N N 6 +ILE C O doub N N 7 +ILE C OXT sing N N 8 +ILE CB CG1 sing N N 9 +ILE CB CG2 sing N N 10 +ILE CB HB sing N N 11 +ILE CG1 CD1 sing N N 12 +ILE CG1 HG12 sing N N 13 +ILE CG1 HG13 sing N N 14 +ILE CG2 HG21 sing N N 15 +ILE CG2 HG22 sing N N 16 +ILE CG2 HG23 sing N N 17 +ILE CD1 HD11 sing N N 18 +ILE CD1 HD12 sing N N 19 +ILE CD1 HD13 sing N N 20 +ILE OXT HXT sing N N 21 +LEU N CA sing N N 22 +LEU N H sing N N 23 +LEU N H2 sing N N 24 +LEU CA C sing N N 25 +LEU CA CB sing N N 26 +LEU CA HA sing N N 27 +LEU C O doub N N 28 +LEU C OXT sing N N 29 +LEU CB CG sing N N 30 +LEU CB HB2 sing N N 31 +LEU CB HB3 sing N N 32 +LEU CG CD1 sing N N 33 +LEU CG CD2 sing N N 34 +LEU CG HG sing N N 35 +LEU CD1 HD11 sing N N 36 +LEU CD1 HD12 sing N N 37 +LEU CD1 HD13 sing N N 38 +LEU CD2 HD21 sing N N 39 +LEU CD2 HD22 sing N N 40 +LEU CD2 HD23 sing N N 41 +LEU OXT HXT sing N N 42 +PHE N CA sing N N 43 +PHE N H sing N N 44 +PHE N H2 sing N N 45 +PHE CA C sing N N 46 +PHE CA CB sing N N 47 +PHE CA HA sing N N 48 +PHE C O doub N N 49 +PHE C OXT sing N N 50 +PHE CB CG sing N N 51 +PHE CB HB2 sing N N 52 +PHE CB HB3 sing N N 53 +PHE CG CD1 doub Y N 54 +PHE CG CD2 sing Y N 55 +PHE CD1 CE1 sing Y N 56 +PHE CD1 HD1 sing N N 57 +PHE CD2 CE2 doub Y N 58 +PHE CD2 HD2 sing N N 59 +PHE CE1 CZ doub Y N 60 +PHE CE1 HE1 sing N N 61 +PHE CE2 CZ sing Y N 62 +PHE CE2 HE2 sing N N 63 +PHE CZ HZ sing N N 64 +PHE OXT HXT sing N N 65 +PRO N CA sing N N 66 +PRO N CD sing N N 67 +PRO N H sing N N 68 +PRO CA C sing N N 69 +PRO CA CB sing N N 70 +PRO CA HA sing N N 71 +PRO C O doub N N 72 +PRO C OXT sing N N 73 +PRO CB CG sing N N 74 +PRO CB HB2 sing N N 75 +PRO CB HB3 sing N N 76 +PRO CG CD sing N N 77 +PRO CG HG2 sing N N 78 +PRO CG HG3 sing N N 79 +PRO CD HD2 sing N N 80 +PRO CD HD3 sing N N 81 +PRO OXT HXT sing N N 82 +# +_atom_sites.entry_id 7ETN +_atom_sites.Cartn_transf_matrix[1][1] ? +_atom_sites.Cartn_transf_matrix[1][2] ? +_atom_sites.Cartn_transf_matrix[1][3] ? +_atom_sites.Cartn_transf_matrix[2][1] ? +_atom_sites.Cartn_transf_matrix[2][2] ? +_atom_sites.Cartn_transf_matrix[2][3] ? +_atom_sites.Cartn_transf_matrix[3][1] ? +_atom_sites.Cartn_transf_matrix[3][2] ? +_atom_sites.Cartn_transf_matrix[3][3] ? +_atom_sites.Cartn_transf_vector[1] ? +_atom_sites.Cartn_transf_vector[2] ? +_atom_sites.Cartn_transf_vector[3] ? +_atom_sites.fract_transf_matrix[1][1] 0.189970 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.016119 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.040053 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.048399 +_atom_sites.fract_transf_vector[1] 0.000000 +_atom_sites.fract_transf_vector[2] 0.000000 +_atom_sites.fract_transf_vector[3] 0.000000 +_atom_sites.solution_primary ? +_atom_sites.solution_secondary ? +_atom_sites.solution_hydrogens ? +_atom_sites.special_details ? +# +loop_ +_atom_type.symbol +C +H +N +O +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . PRO A 1 1 ? 2.263 3.421 12.086 1.00 3.24 ? 1 PRO A N 1 +ATOM 2 C CA . PRO A 1 1 ? 2.768 4.596 11.318 1.00 3.25 ? 1 PRO A CA 1 +ATOM 3 C C . PRO A 1 1 ? 1.656 5.634 11.180 1.00 3.38 ? 1 PRO A C 1 +ATOM 4 O O . PRO A 1 1 ? 0.486 5.366 11.445 1.00 4.36 ? 1 PRO A O 1 +ATOM 5 C CB . PRO A 1 1 ? 3.198 4.020 9.966 1.00 3.76 ? 1 PRO A CB 1 +ATOM 6 C CG . PRO A 1 1 ? 3.584 2.584 10.304 1.00 3.71 ? 1 PRO A CG 1 +ATOM 7 C CD . PRO A 1 1 ? 2.514 2.172 11.283 1.00 3.95 ? 1 PRO A CD 1 +ATOM 8 H H2 . PRO A 1 1 ? 1.392 3.512 12.241 1.00 3.89 ? 1 PRO A H2 1 +ATOM 9 H H3 . PRO A 1 1 ? 2.683 3.368 12.869 1.00 3.89 ? 1 PRO A H3 1 +ATOM 10 H HA . PRO A 1 1 ? 3.540 4.990 11.776 1.00 3.90 ? 1 PRO A HA 1 +ATOM 11 H HB2 . PRO A 1 1 ? 2.467 4.044 9.328 1.00 4.52 ? 1 PRO A HB2 1 +ATOM 12 H HB3 . PRO A 1 1 ? 3.952 4.509 9.603 1.00 4.52 ? 1 PRO A HB3 1 +ATOM 13 H HG2 . PRO A 1 1 ? 3.572 2.022 9.513 1.00 4.46 ? 1 PRO A HG2 1 +ATOM 14 H HG3 . PRO A 1 1 ? 4.465 2.544 10.708 1.00 4.46 ? 1 PRO A HG3 1 +ATOM 15 H HD2 . PRO A 1 1 ? 1.710 1.889 10.820 1.00 4.74 ? 1 PRO A HD2 1 +ATOM 16 H HD3 . PRO A 1 1 ? 2.823 1.449 11.851 1.00 4.74 ? 1 PRO A HD3 1 +ATOM 17 N N . PHE A 1 2 ? 2.024 6.832 10.677 1.00 3.27 ? 2 PHE A N 1 +ATOM 18 C CA . PHE A 1 2 ? 0.997 7.762 10.219 1.00 3.34 ? 2 PHE A CA 1 +ATOM 19 C C . PHE A 1 2 ? 0.196 7.205 9.048 1.00 3.14 ? 2 PHE A C 1 +ATOM 20 O O . PHE A 1 2 ? -1.036 7.320 9.010 1.00 3.49 ? 2 PHE A O 1 +ATOM 21 C CB . PHE A 1 2 ? 1.641 9.127 9.888 1.00 3.81 ? 2 PHE A CB 1 +ATOM 22 C CG . PHE A 1 2 ? 0.650 10.129 9.333 1.00 3.64 ? 2 PHE A CG 1 +ATOM 23 C CD1 . PHE A 1 2 ? -0.279 10.766 10.177 1.00 3.85 ? 2 PHE A CD1 1 +ATOM 24 C CD2 . PHE A 1 2 ? 0.609 10.419 7.968 1.00 4.35 ? 2 PHE A CD2 1 +ATOM 25 C CE1 . PHE A 1 2 ? -1.208 11.660 9.659 1.00 4.03 ? 2 PHE A CE1 1 +ATOM 26 C CE2 . PHE A 1 2 ? -0.322 11.324 7.449 1.00 4.71 ? 2 PHE A CE2 1 +ATOM 27 C CZ . PHE A 1 2 ? -1.245 11.942 8.300 1.00 4.31 ? 2 PHE A CZ 1 +ATOM 28 H H . PHE A 1 2 ? 2.856 7.045 10.628 1.00 3.92 ? 2 PHE A H 1 +ATOM 29 H HA . PHE A 1 2 ? 0.373 7.902 10.962 1.00 4.00 ? 2 PHE A HA 1 +ATOM 30 H HB2 . PHE A 1 2 ? 2.040 9.491 10.694 1.00 4.57 ? 2 PHE A HB2 1 +ATOM 31 H HB3 . PHE A 1 2 ? 2.350 8.993 9.240 1.00 4.57 ? 2 PHE A HB3 1 +ATOM 32 H HD1 . PHE A 1 2 ? -0.271 10.587 11.090 1.00 4.62 ? 2 PHE A HD1 1 +ATOM 33 H HD2 . PHE A 1 2 ? 1.210 10.002 7.394 1.00 5.22 ? 2 PHE A HD2 1 +ATOM 34 H HE1 . PHE A 1 2 ? -1.814 12.074 10.230 1.00 4.83 ? 2 PHE A HE1 1 +ATOM 35 H HE2 . PHE A 1 2 ? -0.328 11.515 6.539 1.00 5.66 ? 2 PHE A HE2 1 +ATOM 36 H HZ . PHE A 1 2 ? -1.875 12.535 7.960 1.00 5.18 ? 2 PHE A HZ 1 +ATOM 37 N N . LEU A 1 3 ? 0.874 6.589 8.064 1.00 3.41 ? 3 LEU A N 1 +ATOM 38 C CA . LEU A 1 3 ? 0.168 5.898 6.984 1.00 3.60 ? 3 LEU A CA 1 +ATOM 39 C C . LEU A 1 3 ? 1.055 4.744 6.488 1.00 3.47 ? 3 LEU A C 1 +ATOM 40 O O . LEU A 1 3 ? 2.285 4.750 6.676 1.00 3.72 ? 3 LEU A O 1 +ATOM 41 C CB . LEU A 1 3 ? -0.257 6.837 5.824 1.00 4.05 ? 3 LEU A CB 1 +ATOM 42 C CG . LEU A 1 3 ? 0.846 7.520 5.010 1.00 4.83 ? 3 LEU A CG 1 +ATOM 43 C CD1 . LEU A 1 3 ? 1.475 6.588 3.975 1.00 5.29 ? 3 LEU A CD1 1 +ATOM 44 C CD2 . LEU A 1 3 ? 0.298 8.755 4.319 1.00 6.57 ? 3 LEU A CD2 1 +ATOM 45 H H . LEU A 1 3 ? 1.734 6.601 8.069 1.00 4.09 ? 3 LEU A H 1 +ATOM 46 H HA . LEU A 1 3 ? -0.646 5.506 7.363 1.00 4.32 ? 3 LEU A HA 1 +ATOM 47 H HB2 . LEU A 1 3 ? -0.803 6.322 5.210 1.00 4.86 ? 3 LEU A HB2 1 +ATOM 48 H HB3 . LEU A 1 3 ? -0.823 7.531 6.197 1.00 4.86 ? 3 LEU A HB3 1 +ATOM 49 H HG . LEU A 1 3 ? 1.550 7.805 5.630 1.00 5.80 ? 3 LEU A HG 1 +ATOM 50 H HD11 . LEU A 1 3 ? 1.937 5.876 4.424 1.00 7.93 ? 3 LEU A HD11 1 +ATOM 51 H HD12 . LEU A 1 3 ? 2.095 7.082 3.434 1.00 7.93 ? 3 LEU A HD12 1 +ATOM 52 H HD13 . LEU A 1 3 ? 0.786 6.220 3.416 1.00 7.93 ? 3 LEU A HD13 1 +ATOM 53 H HD21 . LEU A 1 3 ? -0.001 9.385 4.979 1.00 9.85 ? 3 LEU A HD21 1 +ATOM 54 H HD22 . LEU A 1 3 ? -0.439 8.506 3.757 1.00 9.85 ? 3 LEU A HD22 1 +ATOM 55 H HD23 . LEU A 1 3 ? 0.988 9.155 3.784 1.00 9.85 ? 3 LEU A HD23 1 +ATOM 56 N N . ILE A 1 4 ? 0.379 3.780 5.862 1.00 3.53 ? 4 ILE A N 1 +ATOM 57 C CA . ILE A 1 4 ? 0.996 2.768 4.989 1.00 3.42 ? 4 ILE A CA 1 +ATOM 58 C C . ILE A 1 4 ? 0.175 2.736 3.692 1.00 3.28 ? 4 ILE A C 1 +ATOM 59 O O . ILE A 1 4 ? 0.723 2.471 2.600 1.00 3.62 ? 4 ILE A O 1 +ATOM 60 C CB . ILE A 1 4 ? 1.063 1.368 5.663 1.00 3.79 ? 4 ILE A CB 1 +ATOM 61 C CG1 . ILE A 1 4 ? 1.662 1.421 7.059 1.00 4.33 ? 4 ILE A CG1 1 +ATOM 62 C CG2 . ILE A 1 4 ? 1.839 0.397 4.758 1.00 4.58 ? 4 ILE A CG2 1 +ATOM 63 C CD1 . ILE A 1 4 ? 1.604 0.099 7.814 1.00 5.48 ? 4 ILE A CD1 1 +ATOM 64 O OXT . ILE A 1 4 ? -1.067 2.955 3.832 1.00 4.27 ? 4 ILE A OXT 1 +ATOM 65 H H . ILE A 1 4 ? -0.473 3.747 5.975 1.00 4.24 ? 4 ILE A H 1 +ATOM 66 H HA . ILE A 1 4 ? 1.908 3.055 4.774 1.00 4.10 ? 4 ILE A HA 1 +ATOM 67 H HB . ILE A 1 4 ? 0.146 1.032 5.744 1.00 4.55 ? 4 ILE A HB 1 +ATOM 68 H HG12 . ILE A 1 4 ? 2.588 1.700 6.990 1.00 5.19 ? 4 ILE A HG12 1 +ATOM 69 H HG13 . ILE A 1 4 ? 1.190 2.094 7.574 1.00 5.19 ? 4 ILE A HG13 1 +ATOM 70 H HG21 . ILE A 1 4 ? 1.425 0.368 3.892 1.00 6.87 ? 4 ILE A HG21 1 +ATOM 71 H HG22 . ILE A 1 4 ? 1.828 -0.480 5.147 1.00 6.87 ? 4 ILE A HG22 1 +ATOM 72 H HG23 . ILE A 1 4 ? 2.746 0.698 4.670 1.00 6.87 ? 4 ILE A HG23 1 +ATOM 73 H HD11 . ILE A 1 4 ? 1.915 0.230 8.713 1.00 8.23 ? 4 ILE A HD11 1 +ATOM 74 H HD12 . ILE A 1 4 ? 2.162 -0.546 7.373 1.00 8.23 ? 4 ILE A HD12 1 +ATOM 75 H HD13 . ILE A 1 4 ? 0.699 -0.220 7.833 1.00 8.23 ? 4 ILE A HD13 1 +ATOM 76 N N . PRO B 1 1 ? 3.067 3.241 1.445 1.00 3.36 ? 1 PRO B N 1 +ATOM 77 C CA . PRO B 1 1 ? 3.628 4.468 0.782 1.00 3.20 ? 1 PRO B CA 1 +ATOM 78 C C . PRO B 1 1 ? 2.545 5.540 0.751 1.00 3.17 ? 1 PRO B C 1 +ATOM 79 O O . PRO B 1 1 ? 1.358 5.252 0.861 1.00 3.75 ? 1 PRO B O 1 +ATOM 80 C CB . PRO B 1 1 ? 4.005 4.028 -0.635 1.00 3.64 ? 1 PRO B CB 1 +ATOM 81 C CG . PRO B 1 1 ? 4.291 2.530 -0.474 1.00 3.80 ? 1 PRO B CG 1 +ATOM 82 C CD . PRO B 1 1 ? 3.202 2.099 0.487 1.00 3.91 ? 1 PRO B CD 1 +ATOM 83 H H2 . PRO B 1 1 ? 3.514 3.066 2.194 1.00 4.03 ? 1 PRO B H2 1 +ATOM 84 H H3 . PRO B 1 1 ? 2.211 3.369 1.651 1.00 4.03 ? 1 PRO B H3 1 +ATOM 85 H HA . PRO B 1 1 ? 4.418 4.790 1.265 1.00 3.85 ? 1 PRO B HA 1 +ATOM 86 H HB2 . PRO B 1 1 ? 3.273 4.180 -1.254 1.00 4.37 ? 1 PRO B HB2 1 +ATOM 87 H HB3 . PRO B 1 1 ? 4.790 4.502 -0.951 1.00 4.37 ? 1 PRO B HB3 1 +ATOM 88 H HG2 . PRO B 1 1 ? 4.218 2.064 -1.322 1.00 4.56 ? 1 PRO B HG2 1 +ATOM 89 H HG3 . PRO B 1 1 ? 5.173 2.378 -0.100 1.00 4.56 ? 1 PRO B HG3 1 +ATOM 90 H HD2 . PRO B 1 1 ? 2.368 1.944 0.017 1.00 4.69 ? 1 PRO B HD2 1 +ATOM 91 H HD3 . PRO B 1 1 ? 3.455 1.287 0.953 1.00 4.69 ? 1 PRO B HD3 1 +ATOM 92 N N . PHE B 1 2 ? 2.961 6.812 0.548 1.00 3.26 ? 2 PHE B N 1 +ATOM 93 C CA . PHE B 1 2 ? 1.940 7.825 0.248 1.00 3.07 ? 2 PHE B CA 1 +ATOM 94 C C . PHE B 1 2 ? 1.201 7.506 -1.064 1.00 2.95 ? 2 PHE B C 1 +ATOM 95 O O . PHE B 1 2 ? -0.034 7.564 -1.125 1.00 3.35 ? 2 PHE B O 1 +ATOM 96 C CB . PHE B 1 2 ? 2.602 9.219 0.215 1.00 3.55 ? 2 PHE B CB 1 +ATOM 97 C CG . PHE B 1 2 ? 1.618 10.276 -0.225 1.00 3.35 ? 2 PHE B CG 1 +ATOM 98 C CD1 . PHE B 1 2 ? 0.661 10.791 0.659 1.00 3.64 ? 2 PHE B CD1 1 +ATOM 99 C CD2 . PHE B 1 2 ? 1.587 10.693 -1.570 1.00 3.73 ? 2 PHE B CD2 1 +ATOM 100 C CE1 . PHE B 1 2 ? -0.311 11.680 0.210 1.00 3.67 ? 2 PHE B CE1 1 +ATOM 101 C CE2 . PHE B 1 2 ? 0.624 11.576 -2.020 1.00 3.98 ? 2 PHE B CE2 1 +ATOM 102 C CZ . PHE B 1 2 ? -0.347 12.063 -1.134 1.00 3.89 ? 2 PHE B CZ 1 +ATOM 103 H H . PHE B 1 2 ? 3.794 7.021 0.593 1.00 3.91 ? 2 PHE B H 1 +ATOM 104 H HA . PHE B 1 2 ? 1.283 7.818 0.975 1.00 3.69 ? 2 PHE B HA 1 +ATOM 105 H HB2 . PHE B 1 2 ? 2.937 9.438 1.099 1.00 4.26 ? 2 PHE B HB2 1 +ATOM 106 H HB3 . PHE B 1 2 ? 3.355 9.204 -0.396 1.00 4.26 ? 2 PHE B HB3 1 +ATOM 107 H HD1 . PHE B 1 2 ? 0.676 10.537 1.553 1.00 4.37 ? 2 PHE B HD1 1 +ATOM 108 H HD2 . PHE B 1 2 ? 2.225 10.369 -2.165 1.00 4.47 ? 2 PHE B HD2 1 +ATOM 109 H HE1 . PHE B 1 2 ? -0.938 12.020 0.806 1.00 4.40 ? 2 PHE B HE1 1 +ATOM 110 H HE2 . PHE B 1 2 ? 0.620 11.847 -2.909 1.00 4.78 ? 2 PHE B HE2 1 +ATOM 111 H HZ . PHE B 1 2 ? -1.012 12.638 -1.438 1.00 4.67 ? 2 PHE B HZ 1 +ATOM 112 N N . LEU B 1 3 ? 1.989 7.190 -2.102 1.00 3.24 ? 3 LEU B N 1 +ATOM 113 C CA . LEU B 1 3 ? 1.492 6.878 -3.438 1.00 3.42 ? 3 LEU B CA 1 +ATOM 114 C C . LEU B 1 3 ? 2.271 5.651 -3.931 1.00 3.35 ? 3 LEU B C 1 +ATOM 115 O O . LEU B 1 3 ? 3.502 5.608 -3.818 1.00 3.82 ? 3 LEU B O 1 +ATOM 116 C CB . LEU B 1 3 ? 1.705 8.077 -4.385 1.00 4.12 ? 3 LEU B CB 1 +ATOM 117 C CG . LEU B 1 3 ? 1.416 7.857 -5.867 1.00 4.61 ? 3 LEU B CG 1 +ATOM 118 C CD1 . LEU B 1 3 ? -0.011 7.487 -6.144 1.00 5.83 ? 3 LEU B CD1 1 +ATOM 119 C CD2 . LEU B 1 3 ? 1.781 9.134 -6.646 1.00 5.56 ? 3 LEU B CD2 1 +ATOM 120 H H . LEU B 1 3 ? 2.839 7.169 -1.973 1.00 3.89 ? 3 LEU B H 1 +ATOM 121 H HA . LEU B 1 3 ? 0.537 6.664 -3.390 1.00 4.11 ? 3 LEU B HA 1 +ATOM 122 H HB2 . LEU B 1 3 ? 1.145 8.807 -4.076 1.00 4.94 ? 3 LEU B HB2 1 +ATOM 123 H HB3 . LEU B 1 3 ? 2.627 8.366 -4.299 1.00 4.94 ? 3 LEU B HB3 1 +ATOM 124 H HG . LEU B 1 3 ? 1.990 7.129 -6.186 1.00 5.53 ? 3 LEU B HG 1 +ATOM 125 H HD11 . LEU B 1 3 ? -0.140 7.393 -7.091 1.00 8.74 ? 3 LEU B HD11 1 +ATOM 126 H HD12 . LEU B 1 3 ? -0.591 8.175 -5.809 1.00 8.74 ? 3 LEU B HD12 1 +ATOM 127 H HD13 . LEU B 1 3 ? -0.216 6.656 -5.709 1.00 8.74 ? 3 LEU B HD13 1 +ATOM 128 H HD21 . LEU B 1 3 ? 2.724 9.295 -6.573 1.00 8.33 ? 3 LEU B HD21 1 +ATOM 129 H HD22 . LEU B 1 3 ? 1.299 9.880 -6.280 1.00 8.33 ? 3 LEU B HD22 1 +ATOM 130 H HD23 . LEU B 1 3 ? 1.546 9.023 -7.570 1.00 8.33 ? 3 LEU B HD23 1 +ATOM 131 N N . ILE B 1 4 ? 1.536 4.683 -4.483 1.00 3.54 ? 4 ILE B N 1 +ATOM 132 C CA . ILE B 1 4 ? 2.085 3.515 -5.179 1.00 3.57 ? 4 ILE B CA 1 +ATOM 133 C C . ILE B 1 4 ? 1.159 3.180 -6.361 1.00 3.34 ? 4 ILE B C 1 +ATOM 134 O O . ILE B 1 4 ? 1.646 2.661 -7.402 1.00 3.64 ? 4 ILE B O 1 +ATOM 135 C CB . ILE B 1 4 ? 2.262 2.317 -4.203 1.00 3.73 ? 4 ILE B CB 1 +ATOM 136 C CG1 . ILE B 1 4 ? 2.772 1.074 -4.943 1.00 4.52 ? 4 ILE B CG1 1 +ATOM 137 C CG2 . ILE B 1 4 ? 0.994 2.032 -3.416 1.00 5.64 ? 4 ILE B CG2 1 +ATOM 138 C CD1 . ILE B 1 4 ? 3.110 -0.104 -4.045 1.00 5.40 ? 4 ILE B CD1 1 +ATOM 139 O OXT . ILE B 1 4 ? -0.063 3.470 -6.212 1.00 3.90 ? 4 ILE B OXT 1 +ATOM 140 H H . ILE B 1 4 ? 0.681 4.749 -4.426 1.00 4.25 ? 4 ILE B H 1 +ATOM 141 H HA . ILE B 1 4 ? 2.966 3.754 -5.536 1.00 4.29 ? 4 ILE B HA 1 +ATOM 142 H HB . ILE B 1 4 ? 2.952 2.572 -3.556 1.00 4.48 ? 4 ILE B HB 1 +ATOM 143 H HG12 . ILE B 1 4 ? 2.096 0.794 -5.580 1.00 5.43 ? 4 ILE B HG12 1 +ATOM 144 H HG13 . ILE B 1 4 ? 3.565 1.317 -5.446 1.00 5.43 ? 4 ILE B HG13 1 +ATOM 145 H HG21 . ILE B 1 4 ? 0.713 2.830 -2.962 1.00 8.45 ? 4 ILE B HG21 1 +ATOM 146 H HG22 . ILE B 1 4 ? 1.166 1.342 -2.771 1.00 8.45 ? 4 ILE B HG22 1 +ATOM 147 H HG23 . ILE B 1 4 ? 0.302 1.745 -4.016 1.00 8.45 ? 4 ILE B HG23 1 +ATOM 148 H HD11 . ILE B 1 4 ? 3.521 -0.797 -4.567 1.00 8.10 ? 4 ILE B HD11 1 +ATOM 149 H HD12 . ILE B 1 4 ? 2.307 -0.440 -3.642 1.00 8.10 ? 4 ILE B HD12 1 +ATOM 150 H HD13 . ILE B 1 4 ? 3.718 0.181 -3.358 1.00 8.10 ? 4 ILE B HD13 1 +# +loop_ +_atom_site_anisotrop.id +_atom_site_anisotrop.type_symbol +_atom_site_anisotrop.pdbx_label_atom_id +_atom_site_anisotrop.pdbx_label_alt_id +_atom_site_anisotrop.pdbx_label_comp_id +_atom_site_anisotrop.pdbx_label_asym_id +_atom_site_anisotrop.pdbx_label_seq_id +_atom_site_anisotrop.pdbx_PDB_ins_code +_atom_site_anisotrop.U[1][1] +_atom_site_anisotrop.U[2][2] +_atom_site_anisotrop.U[3][3] +_atom_site_anisotrop.U[1][2] +_atom_site_anisotrop.U[1][3] +_atom_site_anisotrop.U[2][3] +_atom_site_anisotrop.pdbx_auth_seq_id +_atom_site_anisotrop.pdbx_auth_comp_id +_atom_site_anisotrop.pdbx_auth_asym_id +_atom_site_anisotrop.pdbx_auth_atom_id +1 N N . PRO A 1 ? 0.0347 0.0300 0.0511 0.0011 0.0008 0.0024 1 PRO A N +2 C CA . PRO A 1 ? 0.0332 0.0318 0.0511 0.0003 0.0019 0.0044 1 PRO A CA +3 C C . PRO A 1 ? 0.0368 0.0339 0.0499 0.0007 -0.0010 0.0060 1 PRO A C +4 O O . PRO A 1 ? 0.0344 0.0404 0.0808 0.0001 0.0057 0.0158 1 PRO A O +5 C CB . PRO A 1 ? 0.0484 0.0389 0.0472 0.0048 0.0050 0.0025 1 PRO A CB +6 C CG . PRO A 1 ? 0.0427 0.0384 0.0516 0.0053 -0.0007 -0.0028 1 PRO A CG +7 C CD . PRO A 1 ? 0.0459 0.0301 0.0652 0.0006 -0.0029 -0.0030 1 PRO A CD +17 N N . PHE A 2 ? 0.0333 0.0303 0.0532 0.0004 0.0024 0.0028 2 PHE A N +18 C CA . PHE A 2 ? 0.0374 0.0287 0.0531 0.0022 0.0031 0.0004 2 PHE A CA +19 C C . PHE A 2 ? 0.0335 0.0284 0.0504 0.0016 0.0027 0.0055 2 PHE A C +20 O O . PHE A 2 ? 0.0386 0.0336 0.0526 0.0022 0.0044 0.0028 2 PHE A O +21 C CB . PHE A 2 ? 0.0403 0.0282 0.0675 -0.0025 0.0021 -0.0024 2 PHE A CB +22 C CG . PHE A 2 ? 0.0439 0.0263 0.0600 -0.0032 0.0029 -0.0015 2 PHE A CG +23 C CD1 . PHE A 2 ? 0.0482 0.0304 0.0588 0.0008 0.0045 0.0014 2 PHE A CD1 +24 C CD2 . PHE A 2 ? 0.0595 0.0404 0.0554 0.0058 0.0087 -0.0001 2 PHE A CD2 +25 C CE1 . PHE A 2 ? 0.0477 0.0338 0.0624 0.0024 0.0030 -0.0014 2 PHE A CE1 +26 C CE2 . PHE A 2 ? 0.0682 0.0425 0.0578 0.0064 -0.0008 0.0020 2 PHE A CE2 +27 C CZ . PHE A 2 ? 0.0559 0.0306 0.0677 0.0023 -0.0046 0.0056 2 PHE A CZ +37 N N . LEU A 3 ? 0.0359 0.0347 0.0514 0.0024 0.0011 0.0008 3 LEU A N +38 C CA . LEU A 3 ? 0.0410 0.0342 0.0534 0.0013 -0.0007 -0.0021 3 LEU A CA +39 C C . LEU A 3 ? 0.0430 0.0328 0.0481 0.0002 0.0014 0.0018 3 LEU A C +40 O O . LEU A 3 ? 0.0411 0.0390 0.0526 -0.0003 -0.0009 -0.0063 3 LEU A O +41 C CB . LEU A 3 ? 0.0512 0.0395 0.0540 0.0040 -0.0014 -0.0012 3 LEU A CB +42 C CG . LEU A 3 ? 0.0682 0.0428 0.0616 -0.0112 -0.0010 0.0039 3 LEU A CG +43 C CD1 . LEU A 3 ? 0.0648 0.0592 0.0650 -0.0051 0.0119 0.0075 3 LEU A CD1 +44 C CD2 . LEU A 3 ? 0.1260 0.0423 0.0664 -0.0019 0.0020 0.0031 3 LEU A CD2 +56 N N . ILE A 4 ? 0.0398 0.0360 0.0504 -0.0009 0.0016 -0.0029 4 ILE A N +57 C CA . ILE A 4 ? 0.0442 0.0358 0.0422 0.0009 -0.0016 -0.0029 4 ILE A CA +58 C C . ILE A 4 ? 0.0376 0.0293 0.0503 -0.0002 0.0033 0.0013 4 ILE A C +59 O O . ILE A 4 ? 0.0389 0.0401 0.0504 -0.0035 0.0051 -0.0019 4 ILE A O +60 C CB . ILE A 4 ? 0.0465 0.0376 0.0514 -0.0012 -0.0032 0.0006 4 ILE A CB +61 C CG1 . ILE A 4 ? 0.0581 0.0403 0.0562 0.0057 -0.0059 -0.0012 4 ILE A CG1 +62 C CG2 . ILE A 4 ? 0.0636 0.0340 0.0659 0.0069 -0.0092 -0.0009 4 ILE A CG2 +63 C CD1 . ILE A 4 ? 0.0898 0.0464 0.0598 0.0059 -0.0084 0.0013 4 ILE A CD1 +64 O OXT . ILE A 4 ? 0.0387 0.0559 0.0581 0.0023 0.0003 0.0020 4 ILE A OXT +76 N N . PRO B 1 ? 0.0318 0.0332 0.0549 0.0014 0.0030 0.0037 1 PRO B N +77 C CA . PRO B 1 ? 0.0358 0.0295 0.0493 -0.0015 0.0030 0.0031 1 PRO B CA +78 C C . PRO B 1 ? 0.0314 0.0311 0.0509 0.0001 0.0065 0.0018 1 PRO B C +79 O O . PRO B 1 ? 0.0365 0.0349 0.0627 -0.0001 0.0010 0.0038 1 PRO B O +80 C CB . PRO B 1 ? 0.0447 0.0321 0.0534 0.0041 0.0047 0.0046 1 PRO B CB +81 C CG . PRO B 1 ? 0.0466 0.0335 0.0557 0.0050 0.0026 0.0018 1 PRO B CG +82 C CD . PRO B 1 ? 0.0419 0.0302 0.0676 0.0010 0.0019 0.0006 1 PRO B CD +92 N N . PHE B 2 ? 0.0371 0.0278 0.0514 -0.0009 -0.0003 0.0016 2 PHE B N +93 C CA . PHE B 2 ? 0.0359 0.0283 0.0456 0.0028 0.0003 -0.0003 2 PHE B CA +94 C C . PHE B 2 ? 0.0353 0.0257 0.0445 0.0022 0.0045 0.0021 2 PHE B C +95 O O . PHE B 2 ? 0.0379 0.0321 0.0498 -0.0007 0.0014 0.0013 2 PHE B O +96 C CB . PHE B 2 ? 0.0432 0.0267 0.0571 -0.0032 -0.0021 -0.0016 2 PHE B CB +97 C CG . PHE B 2 ? 0.0414 0.0257 0.0527 -0.0028 -0.0012 -0.0016 2 PHE B CG +98 C CD1 . PHE B 2 ? 0.0494 0.0290 0.0516 -0.0018 0.0027 -0.0036 2 PHE B CD1 +99 C CD2 . PHE B 2 ? 0.0457 0.0341 0.0534 -0.0024 0.0013 -0.0036 2 PHE B CD2 +100 C CE1 . PHE B 2 ? 0.0458 0.0317 0.0536 0.0004 0.0077 -0.0022 2 PHE B CE1 +101 C CE2 . PHE B 2 ? 0.0533 0.0325 0.0566 -0.0002 0.0035 0.0015 2 PHE B CE2 +102 C CZ . PHE B 2 ? 0.0491 0.0286 0.0614 0.0006 -0.0024 0.0002 2 PHE B CZ +112 N N . LEU B 3 ? 0.0389 0.0326 0.0442 0.0013 0.0005 -0.0018 3 LEU B N +113 C CA . LEU B 3 ? 0.0452 0.0344 0.0427 0.0010 -0.0027 -0.0037 3 LEU B CA +114 C C . LEU B 3 ? 0.0444 0.0327 0.0425 -0.0018 0.0033 0.0006 3 LEU B C +115 O O . LEU B 3 ? 0.0424 0.0387 0.0554 -0.0005 -0.0036 -0.0065 3 LEU B O +116 C CB . LEU B 3 ? 0.0597 0.0356 0.0520 0.0032 -0.0029 -0.0004 3 LEU B CB +117 C CG . LEU B 3 ? 0.0707 0.0415 0.0524 0.0031 0.0042 0.0013 3 LEU B CG +118 C CD1 . LEU B 3 ? 0.0688 0.0703 0.0691 -0.0028 -0.0048 0.0111 3 LEU B CD1 +119 C CD2 . LEU B 3 ? 0.0772 0.0519 0.0695 0.0038 0.0042 0.0085 3 LEU B CD2 +131 N N . ILE B 4 ? 0.0367 0.0342 0.0557 -0.0001 0.0011 -0.0038 4 ILE B N +132 C CA . ILE B 4 ? 0.0380 0.0343 0.0553 -0.0031 0.0015 -0.0028 4 ILE B CA +133 C C . ILE B 4 ? 0.0394 0.0279 0.0520 0.0008 0.0036 0.0004 4 ILE B C +134 O O . ILE B 4 ? 0.0420 0.0349 0.0531 -0.0011 0.0028 -0.0052 4 ILE B O +135 C CB . ILE B 4 ? 0.0460 0.0359 0.0513 0.0021 -0.0007 0.0015 4 ILE B CB +136 C CG1 . ILE B 4 ? 0.0629 0.0362 0.0625 0.0021 -0.0004 -0.0019 4 ILE B CG1 +137 C CG2 . ILE B 4 ? 0.0640 0.0618 0.0757 0.0120 0.0151 0.0264 4 ILE B CG2 +138 C CD1 . ILE B 4 ? 0.0788 0.0387 0.0755 0.0059 0.0052 0.0074 4 ILE B CD1 +139 O OXT . ILE B 4 ? 0.0374 0.0492 0.0528 0.0027 0.0012 -0.0011 4 ILE B OXT +# From 1880e4a1c395a2be4166efe57bc1fd897219a336 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 24 Oct 2024 21:42:21 +0200 Subject: [PATCH 072/133] add mmcif to __all__ --- testsuite/MDAnalysisTests/datafiles.py | 1 + 1 file changed, 1 insertion(+) diff --git a/testsuite/MDAnalysisTests/datafiles.py b/testsuite/MDAnalysisTests/datafiles.py index 1591450cc43..108a6b61b88 100644 --- a/testsuite/MDAnalysisTests/datafiles.py +++ b/testsuite/MDAnalysisTests/datafiles.py @@ -317,6 +317,7 @@ "AUX_EDR_RAW", "AUX_EDR_SINGLE_FRAME", # for testing .edr auxiliary reader "MMTF", + "MMCIF", "MMTF_gz", "MMTF_skinny", # skinny - some optional fields stripped out "MMTF_skinny2", From 927d7a0f3e41f95f5fe49af2628155de47172098 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 25 Oct 2024 11:17:18 +0000 Subject: [PATCH 073/133] add black instead of ruff --- package/MDAnalysis/coordinates/MMCIF.py | 2 +- package/MDAnalysis/topology/MMCIFParser.py | 14 ++++++++++---- testsuite/MDAnalysisTests/topology/test_mmcif.py | 8 ++++++-- 3 files changed, 17 insertions(+), 7 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index ee8df98d781..0107a52c210 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -15,7 +15,7 @@ logger = logging.getLogger("MDAnalysis.coordinates.MMCIF") -def get_coordinates(model: 'gemmi.Model') -> np.ndarray: +def get_coordinates(model: "gemmi.Model") -> np.ndarray: """Get coordinates of all atoms in the `gemmi.Model` object. Parameters diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 2a0adb71704..6367cb88f9f 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -61,10 +61,14 @@ def _into_idx(arr: list) -> list[int]: .. versionadded:: 2.8.0 """ - return [idx for idx, (_, group) in enumerate(itertools.groupby(arr)) for _ in group] + return [ + idx + for idx, (_, group) in enumerate(itertools.groupby(arr)) + for _ in group + ] -def get_Atomattrs(model: 'gemmi.Model') -> tuple[list[AtomAttr], np.ndarray]: +def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.AtomAttr` from a ``gemmi.Model`` object, and a `residx` index with indices of all atoms in residues. @@ -165,7 +169,9 @@ def get_Atomattrs(model: 'gemmi.Model') -> tuple[list[AtomAttr], np.ndarray]: return attrs, residx -def get_Residueattrs(model: 'gemmi.Model') -> tuple[list[ResidueAttr], np.ndarray]: +def get_Residueattrs( + model: "gemmi.Model", +) -> tuple[list[ResidueAttr], np.ndarray]: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.ResidueAttr` from a ``gemmi.Model`` object, and a `segidx` index witn indices of all residues in segments. @@ -214,7 +220,7 @@ def get_Residueattrs(model: 'gemmi.Model') -> tuple[list[ResidueAttr], np.ndarra return attrs, segidx -def get_Segmentattrs(model: 'gemmi.Model') -> SegmentAttr: +def get_Segmentattrs(model: "gemmi.Model") -> SegmentAttr: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.SegmentAttr` from a ``gemmi.Model`` object. Parameters diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index b4ff08a8a55..0498fc2feed 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -35,7 +35,10 @@ def test_chains(mmcif_filename, n_chains): @pytest.mark.parametrize( "mmcif_filename,sequence", [ - (f"{MMCIF_FOLDER}/1YJP.cif", ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TYR"]), + ( + f"{MMCIF_FOLDER}/1YJP.cif", + ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TYR"], + ), ( f"{MMCIF_FOLDER}/1YJP.cif.gz", ["GLY", "ASN", "ASN", "GLN", "GLN", "ASN", "TYR"], @@ -47,6 +50,7 @@ def test_chains(mmcif_filename, n_chains): def test_sequence(mmcif_filename, sequence): u = mda.Universe(mmcif_filename) in_structure = [ - str(res.resname) for res in u.select_atoms("protein and chainid A").residues + str(res.resname) + for res in u.select_atoms("protein and chainid A").residues ] assert in_structure == sequence, ":".join(in_structure) From ad0f0beec489ae9e2bbea0da87fdf6b8208a9f99 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Mon, 10 Feb 2025 01:13:01 +0100 Subject: [PATCH 074/133] fix function signature --- package/MDAnalysis/topology/MMCIFParser.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 6367cb88f9f..a82b6358a0e 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -1,5 +1,5 @@ """ -MMCIF Topology Parser # +MMCIF Topology Parser # =================== """ @@ -220,7 +220,7 @@ def get_Residueattrs( return attrs, segidx -def get_Segmentattrs(model: "gemmi.Model") -> SegmentAttr: +def get_Segmentattrs(model: "gemmi.Model") -> list[SegmentAttr]: """Extract all attributes that are subclasses of :class:`..core.topologyattrs.SegmentAttr` from a ``gemmi.Model`` object. Parameters From e03c3e5b00343ae904fa263a8da61f58ce184217 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 19 Feb 2025 10:01:23 +0100 Subject: [PATCH 075/133] Add documentation for mmcif coords --- package/MDAnalysis/coordinates/MMCIF.py | 79 ++++++++++++++++++++++--- 1 file changed, 72 insertions(+), 7 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 0107a52c210..705f41c5d33 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -1,3 +1,71 @@ +"""MMCIF structure files in MDAnalysis --- :mod:`MDAnalysis.coordinates.MMCIF` +========================================================================== + +MDAnalysis reads coordinates from MMCIF (macromolecular Crystallographic Information File) files +using the gemmi library as a backend. MMCIF is a more modern and flexible alternative to the PDB format, +capable of storing detailed structural and experimental data about biological macromolecules. + +MMCIF files use a structured, tabular format with key-value pairs to store both coordinate and atom information. +The format supports multiple models/frames, though this implementation currently only reads the first model +and provides warning messages for multi-model files. + +Basic usage +----------- + +Reading an MMCIF file is straightforward: + + .. code-block:: python + + import MDAnalysis as mda + u = mda.Universe("structure.cif") + + +The reader will automatically detect if the structure contains placeholder unit cell information +(usually it's the case for cryoEM structures, and cell parameters are (1, 1, 1, 90, 90, 90)) +and set dimensions to None in that case. + +Capabilities +------------ + +The MMCIF reader implementation uses the gemmi library to parse files and extract coordinates +and unit cell information. Currently only reading capability is supported, with the following +features: + +- Single frame/model reading +- Unit cell dimensions detection +- Support for compressed .cif.gz files +- Automatic handling of placeholder unit cells for cryoEM structures + +Examples +-------- + +Basic structure loading:: + + .. code-block:: python + # Load structure from MMCIF + u = mda.Universe("structure.cif") + + # or from cif.gz file + u = mda.Universe("structure.cif.gz") + + +The coordinates are stored in Angstroms. + +Classes +------- + +.. autoclass:: MMCIFReader + :members: + :inherited-members: + +See Also +-------- +- wwPDB MMCIF Resources: http://mmcif.wwpdb.org +- Gemmi library documentation: https://gemmi.readthedocs.io + +.. versionadded:: 2.9.0 +""" + import logging import warnings @@ -57,11 +125,11 @@ def _read_first_frame(self): ] ) if len(structure) > 1: - warnings.warn( + warnings.warn( # FIXME: add tests for this f"File {self.filename} has {len(structure)} models, but only the first one will be read" ) if len(structure) > 1: - warnings.warn( + warnings.warn( # FIXME: add tests for this "MMCIF model {self.filename} contains {len(model)=} different models, " "but only the first one will be used to assign the topology" ) # TODO: if the structures represent timestamps, can parse them with :func:`get_coordinates`. @@ -71,15 +139,12 @@ def _read_first_frame(self): self.n_atoms = len(coords) self.ts = self._Timestep.from_coordinates(coords, **self._ts_kwargs) if np.allclose(cell_dims, np.array([1.0, 1.0, 1.0, 90.0, 90.0, 90.0])): - warnings.warn( + warnings.warn( # FIXME: add tests for this "1 A^3 CRYST1 record," " this is usually a placeholder." " Unit cell dimensions will be set to None." ) - self.ts.dimensions = None + self.ts.dimensions = None # FIXME: add tests for this else: self.ts.dimensions = cell_dims self.ts.frame = 0 - - def close(self): - pass From 4d792056f906350356e5d63b27102188de25be88 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 20 Feb 2025 23:12:47 +0100 Subject: [PATCH 076/133] expand documentation and type annotations --- package/MDAnalysis/coordinates/MMCIF.py | 7 +-- package/MDAnalysis/topology/MMCIFParser.py | 54 ++++++++++++++++--- .../MDAnalysisTests/topology/test_mmcif.py | 13 +---- 3 files changed, 50 insertions(+), 24 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 705f41c5d33..26718f56e93 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -1,8 +1,8 @@ """MMCIF structure files in MDAnalysis --- :mod:`MDAnalysis.coordinates.MMCIF` ========================================================================== -MDAnalysis reads coordinates from MMCIF (macromolecular Crystallographic Information File) files -using the gemmi library as a backend. MMCIF is a more modern and flexible alternative to the PDB format, +MDAnalysis reads coordinates from MMCIF (macromolecular Crystallographic Information File) files, also known as PDBx/mmCIF format, +using the ``gemmi`` library as a backend. MMCIF is a more modern and flexible alternative to the PDB format, capable of storing detailed structural and experimental data about biological macromolecules. MMCIF files use a structured, tabular format with key-value pairs to store both coordinate and atom information. @@ -48,9 +48,6 @@ # or from cif.gz file u = mda.Universe("structure.cif.gz") - -The coordinates are stored in Angstroms. - Classes ------- diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index a82b6358a0e..39b99458a50 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -1,6 +1,44 @@ """ -MMCIF Topology Parser # -=================== +MMCIF Topology Parser +==================== + +Read topology information from mmCIF/PDBx coordinate files using the [gemmi](https://github.com/project-gemmi/gemmi) library. + +mmCIF files contain topology information about the molecules in the structure. For each atom the following attributes are read +and stored in the relevant topology attributes: + - :class:`..core.topologyattrs.AtomAttr` subclasses: + - :class:`..core.topologyattrs.AltLocs` + - :class:`..core.topologyattrs.Atomids` + - :class:`..core.topologyattrs.Atomnames` + - :class:`..core.topologyattrs.Atomtypes` + - :class:`..core.topologyattrs.ChainIDs` + - :class:`..core.topologyattrs.Elements` + - :class:`..core.topologyattrs.FormalCharges` + - :class:`..core.topologyattrs.Masses` + - :class:`..core.topologyattrs.Occupancies` + - :class:`..core.topologyattrs.RecordTypes` + - :class:`..core.topologyattrs.Tempfactors` + - :class:`..core.topologyattrs.ResidueAttr` subclasses: + - :class:`..core.topologyattrs.Resnums` + - :class:`..core.topologyattrs.ICodes` + - :class:`..core.topologyattrs.Resids` + - :class:`..core.topologyattrs.Resnames` + - :class:`..core.topologyattrs.SegmentAttr` subclasses: + - :class:`..core.topologyattrs.Segids` + +References +---------- +.. [1] Westbrook, J. D. and Bourne, P. E. `Star/mmCIF: An extensive + ontology for macromolecular structure and beyond.` + *Bioinformatics* (2000) **16**: 159-168. +.. [2] `project-gemmi/gemmi `_ -- library for structural biology in C++11/Python + +See Also +-------- +:mod:`MDAnalysis.topology.PDBParser` + For the PDB equivalent of this parser. + +.. versionadded:: 2.8.0 """ try: @@ -148,7 +186,9 @@ def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: for record in record_types ] if any((elem is None for elem in record_types)): - raise ValueError("Found an atom that is neither ATOM or HETATM") + raise ValueError( + "Found an atom that is neither ATOM or HETATM" + ) # FIXME: add tests for this attrs = [ AltLocs(altlocs), @@ -262,12 +302,12 @@ class MMCIFParser(TopologyReaderBase): - :class:`..core.topologyattrs.SegmentAttr` subclasses: - :class:`..core.topologyattrs.Segids` - .. versionadded:: 2.8.0 + .. versionadded:: 2.9.0 """ - format = ["cif", "cif.gz", "mmcif"] + format = ["cif", "cif.gz", "mmcif", "mmcif.gz"] - def parse(self, **kwargs): + def parse(self, **kwargs) -> Topology: """Read the file and return the structure. Returns @@ -277,7 +317,7 @@ def parse(self, **kwargs): structure = gemmi.read_structure(self.filename) if len(structure) > 1: - warnings.warn( + warnings.warn( # FIXME: add tests for this "MMCIF model {self.filename} contains {len(model)=} different models, " "but only the first one will be used to assign the topology" ) diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 0498fc2feed..3ad09c89407 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -1,19 +1,8 @@ -import glob -import os -from io import StringIO - import MDAnalysis as mda -import numpy as np import pytest -from numpy.testing import ( - assert_allclose, - assert_almost_equal, - assert_array_almost_equal, - assert_equal, -) +from MDAnalysis.coordinates.MMCIF import HAS_GEMMI from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER -from MDAnalysis.coordinates.MMCIF import HAS_GEMMI @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") From 32d7cf9525809f5ad283b3c46c2f098d81cc82c5 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 20 Feb 2025 23:13:13 +0100 Subject: [PATCH 077/133] add invalid cif and MMCIF rst files --- .../documentation_pages/coordinates/MMCIF.rst | 2 + .../topology/MMCIFParser.rst | 1 + .../data/mmcif/1YJP_invalid.cif | 813 ++++++++++++++++++ 3 files changed, 816 insertions(+) create mode 100644 package/doc/sphinx/source/documentation_pages/coordinates/MMCIF.rst create mode 100644 package/doc/sphinx/source/documentation_pages/topology/MMCIFParser.rst create mode 100644 testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif diff --git a/package/doc/sphinx/source/documentation_pages/coordinates/MMCIF.rst b/package/doc/sphinx/source/documentation_pages/coordinates/MMCIF.rst new file mode 100644 index 00000000000..f769bd846f5 --- /dev/null +++ b/package/doc/sphinx/source/documentation_pages/coordinates/MMCIF.rst @@ -0,0 +1,2 @@ +.. automodule:: MDAnalysis.coordinates.MMCIF + diff --git a/package/doc/sphinx/source/documentation_pages/topology/MMCIFParser.rst b/package/doc/sphinx/source/documentation_pages/topology/MMCIFParser.rst new file mode 100644 index 00000000000..6b31bb012a4 --- /dev/null +++ b/package/doc/sphinx/source/documentation_pages/topology/MMCIFParser.rst @@ -0,0 +1 @@ +.. automodule:: MDAnalysis.topology.MMCIFParser diff --git a/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif b/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif new file mode 100644 index 00000000000..8ab699ebdae --- /dev/null +++ b/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif @@ -0,0 +1,813 @@ +data_1YJP +# +_entry.id 1YJP +# +_audit.revision_id 1 +_audit.creation_date 2005-01-14 +_audit.update_record 'initial release' +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.387 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 1YJP pdb_00001yjp 10.2210/pdb1yjp/pdb +RCSB RCSB031590 ? ? +WWPDB D_1000031590 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2005-06-14 +2 'Structure model' 1 1 2008-04-30 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2017-10-11 +5 'Structure model' 1 4 2024-02-14 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Refinement description' +4 5 'Structure model' 'Data collection' +5 5 'Structure model' 'Database references' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 4 'Structure model' software +2 5 'Structure model' chem_comp_atom +3 5 'Structure model' chem_comp_bond +4 5 'Structure model' database_2 +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 5 'Structure model' '_database_2.pdbx_DOI' +2 5 'Structure model' '_database_2.pdbx_database_accession' +# +_pdbx_database_status.entry_id 1YJP +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.recvd_initial_deposition_date 2005-01-15 +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry ? +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.status_code_nmr_data ? +# +_pdbx_database_related.db_name PDB +_pdbx_database_related.db_id 1YJO +_pdbx_database_related.details . +_pdbx_database_related.content_type unspecified +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Nelson, R.' 1 +'Sawaya, M.R.' 2 +'Balbirnie, M.' 3 +'Madsen, A.O.' 4 +'Riekel, C.' 5 +'Grothe, R.' 6 +'Eisenberg, D.' 7 +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary 'Structure of the cross-beta spine of amyloid-like fibrils.' Nature 435 773 778 2005 +NATUAS UK 0028-0836 0006 ? 15944695 10.1038/nature03680 +1 'Refinement of Macromolecular Structures by the Maximum-Likelihood Method' 'Acta Crystallogr.,Sect.D' 53 240 255 1997 +ABCRE6 DK 0907-4449 0766 ? ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Nelson, R.' 1 ? +primary 'Sawaya, M.R.' 2 ? +primary 'Balbirnie, M.' 3 ? +primary 'Madsen, A.O.' 4 ? +primary 'Riekel, C.' 5 ? +primary 'Grothe, R.' 6 ? +primary 'Eisenberg, D.' 7 ? +1 'Murshudov, G.N.' 8 ? +1 'Vagin, A.A.' 9 ? +1 'Dodson, E.J.' 10 ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer syn 'Eukaryotic peptide chain release factor GTP-binding subunit' 836.807 1 ? ? 'prion determining domain of Sup35' ? +2 water nat water 18.015 7 ? ? ? ? +# +_entity_name_com.entity_id 1 +_entity_name_com.name +'ERF2, Translation release factor 3, ERF3, ERF-3, Omnipotent suppressor protein 2, G1 to S phase transition protein 1' +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code GNNQQNY +_entity_poly.pdbx_seq_one_letter_code_can GNNQQNY +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.name water +_pdbx_entity_nonpoly.comp_id HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 GLY n +1 2 ASN n +1 3 ASN n +1 4 GLN n +1 5 GLN n +1 6 ASN n +1 7 TYR n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num ? +_pdbx_entity_src_syn.pdbx_end_seq_num ? +_pdbx_entity_src_syn.organism_scientific ? +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id ? +_pdbx_entity_src_syn.details 'This sequence is from the prion determining domain of Saccharomyces cerevisiae Sup35' +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HOH non-polymer . WATER ? 'H2 O' 18.015 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 GLY 1 1 1 GLY GLY A . n +A 1 2 ASN 2 2 2 ASN ASN A . n +A 1 3 ASN 3 3 3 ASN ASN A . n +A 1 4 GLN 4 4 4 GLN GLN A . n +A 1 5 GLN 5 5 5 GLN GLN A . n +A 1 6 ASN 6 6 6 ASN ASN A . n +A 1 7 TYR 7 7 7 TYR TYR A . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 HOH 1 8 8 HOH HOH A . +B 2 HOH 2 9 9 HOH HOH A . +B 2 HOH 3 10 10 HOH HOH A . +B 2 HOH 4 11 11 HOH HOH A . +B 2 HOH 5 12 12 HOH HOH A . +B 2 HOH 6 13 13 HOH HOH A . +B 2 HOH 7 14 14 HOH HOH A . +# +loop_ +_software.name +_software.version +_software.date +_software.type +_software.contact_author +_software.contact_author_email +_software.classification +_software.location +_software.language +_software.citation_id +_software.pdbx_ordinal +REFMAC . ? program 'Murshudov, G.N.' ccp4@dl.ac.uk refinement http://www.ccp4.ac.uk/main.html Fortran ? 1 +DENZO . ? ? ? ? 'data reduction' ? ? ? 2 +SCALEPACK . ? ? ? ? 'data scaling' ? ? ? 3 +# +_cell.entry_id 1YJP +_cell.length_a 21.937 +_cell.length_b 4.866 +_cell.length_c 23.477 +_cell.angle_alpha 90.00 +_cell.angle_beta 107.08 +_cell.angle_gamma 90.00 +_cell.Z_PDB 2 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1YJP +_symmetry.space_group_name_H-M 'P 1 21 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 4 +_symmetry.space_group_name_Hall ? +# +_exptl.method 'X-RAY DIFFRACTION' +_exptl.entry_id 1YJP +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_percent_sol 14.03 +_exptl_crystal.density_Matthews 1.43 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.pH 7 +_exptl_crystal_grow.temp 298 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pdbx_details 'water, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K' +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type MARRESEARCH +_diffrn_detector.pdbx_collection_date 2004-06-12 +_diffrn_detector.details 'Ellipsoidal Mirror' +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.monochromator 'channel-cut Si-111 monochromator' +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.975 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'ESRF BEAMLINE ID13' +_diffrn_source.pdbx_wavelength 0.975 +_diffrn_source.pdbx_wavelength_list 0.975 +_diffrn_source.pdbx_synchrotron_site ESRF +_diffrn_source.pdbx_synchrotron_beamline ID13 +# +_reflns.d_resolution_low 80.00 +_reflns.d_resolution_high 1.80 +_reflns.number_obs 509 +_reflns.percent_possible_obs 89.5 +_reflns.pdbx_Rmerge_I_obs 0.204 +_reflns.pdbx_chi_squared 1.057 +_reflns.entry_id 1YJP +_reflns.observed_criterion_sigma_F 0 +_reflns.observed_criterion_sigma_I 0 +_reflns.number_all 509 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI 3.75 +_reflns.B_iso_Wilson_estimate 45.6 +_reflns.pdbx_redundancy 2.0 +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +# +_reflns_shell.d_res_low 1.94 +_reflns_shell.d_res_high 1.80 +_reflns_shell.number_unique_all 85 +_reflns_shell.percent_possible_all 84.2 +_reflns_shell.Rmerge_I_obs 0.491 +_reflns_shell.pdbx_redundancy ? +_reflns_shell.pdbx_chi_squared 1.092 +_reflns_shell.number_unique_obs ? +_reflns_shell.meanI_over_sigI_obs 1.5 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.percent_possible_obs ? +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.pdbx_diffrn_id ? +_reflns_shell.pdbx_ordinal 1 +# +_refine.entry_id 1YJP +_refine.ls_d_res_high 1.80 +_refine.ls_d_res_low 22.44 +_refine.pdbx_ls_sigma_F 0 +_refine.pdbx_ls_sigma_I 0 +_refine.ls_number_reflns_all 474 +_refine.ls_number_reflns_obs 474 +_refine.ls_number_reflns_R_free 20 +_refine.ls_percent_reflns_obs ? +_refine.ls_R_factor_all 0.18139 +_refine.ls_R_factor_obs 0.18139 +_refine.ls_R_factor_R_work 0.18086 +_refine.ls_R_factor_R_free 0.19014 +_refine.ls_redundancy_reflns_obs ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.pdbx_method_to_determine_struct 'FOURIER SYNTHESIS' +_refine.pdbx_starting_model ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_stereochemistry_target_values 'Engh & Huber' +_refine.solvent_model_details ? +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.pdbx_isotropic_thermal_model ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.details ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_SU_B ? +_refine.overall_SU_ML ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_overall_phase_error ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 59 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 7 +_refine_hist.number_atoms_total 66 +_refine_hist.d_res_high 1.80 +_refine_hist.d_res_low 22.44 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.weight +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +r_angle_refined_deg 1.228 ? ? ? 'X-RAY DIFFRACTION' ? +r_bond_refined_d 0.014 ? ? ? 'X-RAY DIFFRACTION' ? +# +_struct.entry_id 1YJP +_struct.title 'Structure of GNNQQNY from yeast prion Sup35' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1YJP +_struct_keywords.pdbx_keywords 'PROTEIN BINDING' +_struct_keywords.text 'beta sheet, steric zipper, glutamine zipper, asparagine zipper, PROTEIN BINDING' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code ERF2_YEAST +_struct_ref.pdbx_db_accession P05453 +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code GNNQQNY +_struct_ref.pdbx_align_begin 7 +_struct_ref.pdbx_db_isoform ? +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1YJP +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 7 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P05453 +_struct_ref_seq.db_align_beg 7 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 13 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 7 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1,2 +_pdbx_struct_assembly_gen.asym_id_list A,B +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +2 'crystal symmetry operation' 2_555 -x,y+1/2,-z -1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 +0.0000000000 2.4330000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000 +# +_pdbx_database_remark.id 300 +_pdbx_database_remark.text +;BIOMOLECULE: 1 +THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT +WHICH CONSISTS OF 1 CHAIN(S). The second beta strand of +the beta sandwich is generated as described in remark 350. +Beta sheets are generated from unit cell translations +along the unit cell b dimension: x,y+1,z. +; +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ASN N N N N 1 +ASN CA C N S 2 +ASN C C N N 3 +ASN O O N N 4 +ASN CB C N N 5 +ASN CG C N N 6 +ASN OD1 O N N 7 +ASN ND2 N N N 8 +ASN OXT O N N 9 +ASN H H N N 10 +ASN H2 H N N 11 +ASN HA H N N 12 +ASN HB2 H N N 13 +ASN HB3 H N N 14 +ASN HD21 H N N 15 +ASN HD22 H N N 16 +ASN HXT H N N 17 +GLN N N N N 18 +GLN CA C N S 19 +GLN C C N N 20 +GLN O O N N 21 +GLN CB C N N 22 +GLN CG C N N 23 +GLN CD C N N 24 +GLN OE1 O N N 25 +GLN NE2 N N N 26 +GLN OXT O N N 27 +GLN H H N N 28 +GLN H2 H N N 29 +GLN HA H N N 30 +GLN HB2 H N N 31 +GLN HB3 H N N 32 +GLN HG2 H N N 33 +GLN HG3 H N N 34 +GLN HE21 H N N 35 +GLN HE22 H N N 36 +GLN HXT H N N 37 +GLY N N N N 38 +GLY CA C N N 39 +GLY C C N N 40 +GLY O O N N 41 +GLY OXT O N N 42 +GLY H H N N 43 +GLY H2 H N N 44 +GLY HA2 H N N 45 +GLY HA3 H N N 46 +GLY HXT H N N 47 +HOH O O N N 48 +HOH H1 H N N 49 +HOH H2 H N N 50 +TYR N N N N 51 +TYR CA C N S 52 +TYR C C N N 53 +TYR O O N N 54 +TYR CB C N N 55 +TYR CG C Y N 56 +TYR CD1 C Y N 57 +TYR CD2 C Y N 58 +TYR CE1 C Y N 59 +TYR CE2 C Y N 60 +TYR CZ C Y N 61 +TYR OH O N N 62 +TYR OXT O N N 63 +TYR H H N N 64 +TYR H2 H N N 65 +TYR HA H N N 66 +TYR HB2 H N N 67 +TYR HB3 H N N 68 +TYR HD1 H N N 69 +TYR HD2 H N N 70 +TYR HE1 H N N 71 +TYR HE2 H N N 72 +TYR HH H N N 73 +TYR HXT H N N 74 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ASN N CA sing N N 1 +ASN N H sing N N 2 +ASN N H2 sing N N 3 +ASN CA C sing N N 4 +ASN CA CB sing N N 5 +ASN CA HA sing N N 6 +ASN C O doub N N 7 +ASN C OXT sing N N 8 +ASN CB CG sing N N 9 +ASN CB HB2 sing N N 10 +ASN CB HB3 sing N N 11 +ASN CG OD1 doub N N 12 +ASN CG ND2 sing N N 13 +ASN ND2 HD21 sing N N 14 +ASN ND2 HD22 sing N N 15 +ASN OXT HXT sing N N 16 +GLN N CA sing N N 17 +GLN N H sing N N 18 +GLN N H2 sing N N 19 +GLN CA C sing N N 20 +GLN CA CB sing N N 21 +GLN CA HA sing N N 22 +GLN C O doub N N 23 +GLN C OXT sing N N 24 +GLN CB CG sing N N 25 +GLN CB HB2 sing N N 26 +GLN CB HB3 sing N N 27 +GLN CG CD sing N N 28 +GLN CG HG2 sing N N 29 +GLN CG HG3 sing N N 30 +GLN CD OE1 doub N N 31 +GLN CD NE2 sing N N 32 +GLN NE2 HE21 sing N N 33 +GLN NE2 HE22 sing N N 34 +GLN OXT HXT sing N N 35 +GLY N CA sing N N 36 +GLY N H sing N N 37 +GLY N H2 sing N N 38 +GLY CA C sing N N 39 +GLY CA HA2 sing N N 40 +GLY CA HA3 sing N N 41 +GLY C O doub N N 42 +GLY C OXT sing N N 43 +GLY OXT HXT sing N N 44 +HOH O H1 sing N N 45 +HOH O H2 sing N N 46 +TYR N CA sing N N 47 +TYR N H sing N N 48 +TYR N H2 sing N N 49 +TYR CA C sing N N 50 +TYR CA CB sing N N 51 +TYR CA HA sing N N 52 +TYR C O doub N N 53 +TYR C OXT sing N N 54 +TYR CB CG sing N N 55 +TYR CB HB2 sing N N 56 +TYR CB HB3 sing N N 57 +TYR CG CD1 doub Y N 58 +TYR CG CD2 sing Y N 59 +TYR CD1 CE1 sing Y N 60 +TYR CD1 HD1 sing N N 61 +TYR CD2 CE2 doub Y N 62 +TYR CD2 HD2 sing N N 63 +TYR CE1 CZ doub Y N 64 +TYR CE1 HE1 sing N N 65 +TYR CE2 CZ sing Y N 66 +TYR CE2 HE2 sing N N 67 +TYR CZ OH sing N N 68 +TYR OH HH sing N N 69 +TYR OXT HXT sing N N 70 +# +_atom_sites.entry_id 1YJP +_atom_sites.fract_transf_matrix[1][1] 0.045585 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.014006 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.205508 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.044560 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +N +O +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . GLY A 1 1 ? -9.009 4.612 6.102 1.00 16.77 ? 1 GLY A N 1 +ATOM 2 C CA . GLY A 1 1 ? -9.052 4.207 4.651 1.00 16.57 ? 1 GLY A CA 1 +ATOM 3 C C . GLY A 1 1 ? -8.015 3.140 4.419 1.00 16.16 ? 1 GLY A C 1 +ATOM 4 O O . GLY A 1 1 ? -7.523 2.521 5.381 1.00 16.78 ? 1 GLY A O 1 +ATOM 5 N N . ASN A 1 2 ? -7.656 2.923 3.155 1.00 15.02 ? 2 ASN A N 1 +ATOM 6 C CA . ASN A 1 2 ? -6.522 2.038 2.831 1.00 14.10 ? 2 ASN A CA 1 +ATOM 7 C C . ASN A 1 2 ? -5.241 2.537 3.427 1.00 13.13 ? 2 ASN A C 1 +ATOM 8 O O . ASN A 1 2 ? -4.978 3.742 3.426 1.00 11.91 ? 2 ASN A O 1 +ATOM 9 C CB . ASN A 1 2 ? -6.346 1.881 1.341 1.00 15.38 ? 2 ASN A CB 1 +ATOM 10 C CG . ASN A 1 2 ? -7.584 1.342 0.692 1.00 14.08 ? 2 ASN A CG 1 +ATOM 11 O OD1 . ASN A 1 2 ? -8.025 0.227 1.016 1.00 17.46 ? 2 ASN A OD1 1 +ATOM 12 N ND2 . ASN A 1 2 ? -8.204 2.155 -0.169 1.00 11.72 ? 2 ASN A ND2 1 +ATOM 13 N N . ASN A 1 3 ? -4.438 1.590 3.905 1.00 12.26 ? 3 ASN A N 1 +ATOM 14 C CA . ASN A 1 3 ? -3.193 1.904 4.589 1.00 11.74 ? 3 ASN A CA 1 +ATOM 15 C C . ASN A 1 3 ? -1.955 1.332 3.895 1.00 11.10 ? 3 ASN A C 1 +ATOM 16 O O . ASN A 1 3 ? -1.872 0.119 3.648 1.00 10.42 ? 3 ASN A O 1 +ATOM 17 C CB . ASN A 1 3 ? -3.259 1.378 6.042 1.00 12.15 ? 3 ASN A CB 1 +ATOM 18 C CG . ASN A 1 3 ? -2.006 1.739 6.861 1.00 12.82 ? 3 ASN A CG 1 +ATOM 19 O OD1 . ASN A 1 3 ? -1.702 2.925 7.072 1.00 15.05 ? 3 ASN A OD1 1 +ATOM 20 N ND2 . ASN A 1 3 ? -1.271 0.715 7.306 1.00 13.48 ? 3 ASN A ND2 1 +ATOM 21 N N . GLN A 1 4 ? -1.005 2.228 3.598 1.00 10.29 ? 4 GLN A N 1 +ATOM 22 C CA . GLN A 1 4 ? 0.384 1.888 3.199 1.00 10.53 ? 4 GLN A CA 1 +ATOM 23 C C . GLN A 1 4 ? 1.435 2.606 4.088 1.00 10.24 ? 4 GLN A C 1 +ATOM 24 O O . GLN A 1 4 ? 1.547 3.843 4.115 1.00 8.86 ? 4 GLN A O 1 +ATOM 25 C CB . GLN A 1 4 ? 0.656 2.148 1.711 1.00 9.80 ? 4 GLN A CB 1 +ATOM 26 C CG . GLN A 1 4 ? 1.944 1.458 1.213 1.00 10.25 ? 4 GLN A CG 1 +ATOM 27 C CD . GLN A 1 4 ? 2.504 2.044 -0.089 1.00 12.43 ? 4 GLN A CD 1 +ATOM 28 O OE1 . GLN A 1 4 ? 2.744 3.268 -0.190 1.00 14.62 ? 4 GLN A OE1 1 +ATOM 29 N NE2 . GLN A 1 4 ? 2.750 1.161 -1.091 1.00 9.05 ? 4 GLN A NE2 1 +ATOM 30 N N . GLN A 1 5 ? 2.154 1.821 4.871 1.00 10.38 ? 5 GLN A N 1 +ATOM 31 C CA . GLN A 1 5 ? 3.270 2.361 5.640 1.00 11.39 ? 5 GLN A CA 1 +ATOM 32 C C . GLN A 1 5 ? 4.594 1.768 5.172 1.00 11.52 ? 5 GLN A C 1 +ATOM 33 O O . GLN A 1 5 ? 4.768 0.546 5.054 1.00 12.05 ? 5 GLN A O 1 +ATOM 34 C CB . GLN A 1 5 ? 3.056 2.183 7.147 1.00 11.96 ? 5 GLN A CB 1 +ATOM 35 C CG . GLN A 1 5 ? 1.829 2.950 7.647 1.00 10.81 ? 5 GLN A CG 1 +ATOM 36 C CD . GLN A 1 5 ? 1.344 2.414 8.954 1.00 13.10 ? 5 GLN A CD 1 +ATOM 37 O OE1 . GLN A 1 5 ? 0.774 1.325 9.002 1.00 10.65 ? 5 GLN A OE1 1 +ATOM 38 N NE2 . GLN A 1 5 ? 1.549 3.187 10.039 1.00 12.30 ? 5 GLN A NE2 1 +ATOM 39 N N . ASN A 1 6 ? 5.514 2.664 4.856 1.00 11.99 ? 6 ASN A N 1 +ATOM 40 C CA . ASN A 1 6 ? 6.831 2.310 4.318 1.00 12.30 ? 6 ASN A CA 1 +ATOM 41 C C . ASN A 1 6 ? 7.854 2.761 5.324 1.00 13.40 ? 6 ASN A C 1 +ATOM 42 O O . ASN A 1 6 ? 8.219 3.943 5.374 1.00 13.92 ? 6 ASN A O 1 +ATOM 43 C CB . ASN A 1 6 ? 7.065 3.016 2.993 1.00 12.13 ? 6 ASN A CB 1 +ATOM 44 C CG . ASN A 1 6 ? 5.961 2.735 2.003 1.00 12.77 ? 6 ASN A CG 1 +ATOM 45 O OD1 . ASN A 1 6 ? 5.798 1.604 1.551 1.00 14.27 ? 6 ASN A OD1 1 +ATOM 46 N ND2 . ASN A 1 6 ? 5.195 3.747 1.679 1.00 10.07 ? 6 ASN A ND2 1 +ATOM 47 N N . TYR A 1 7 ? 8.292 1.817 6.147 1.00 14.70 ? 7 TYR A N 1 +ATOM 48 C CA . TYR A 1 7 ? 9.159 2.144 7.299 1.00 15.18 ? 7 TYR A CA 1 +ATOM 49 C C . TYR A 1 7 ? 10.603 2.331 6.885 1.00 15.91 ? 7 TYR A C 1 +ATOM 50 O O . TYR A 1 7 ? 11.041 1.811 5.855 1.00 15.76 ? 7 TYR A O 1 +ATOM 51 C CB . TYR A 1 7 ? 9.061 1.065 8.369 1.00 15.35 ? 7 TYR A CB 1 +ATOM 52 C CG . TYR A 1 7 ? 7.665 0.929 8.902 1.00 14.45 ? 7 TYR A CG 1 +ATOM 53 C CD1 . TYR A 1 7 ? 6.771 0.021 8.327 1.00 15.68 ? 7 TYR A CD1 1 +ATOM 54 C CD2 . TYR A 1 7 ? 7.210 1.756 9.920 1.00 14.80 ? 7 TYR A CD2 1 +ATOM 55 C CE1 . TYR A 1 7 ? 5.480 -0.094 8.796 1.00 13.46 ? 7 TYR A CE1 1 +ATOM 56 C CE2 . TYR A 1 7 ? 5.904 1.649 10.416 1.00 14.33 ? 7 TYR A CE2 1 +ATOM 57 C CZ . TYR A 1 7 ? 5.047 0.729 9.831 1.00 15.09 ? 7 TYR A CZ 1 +ATOM 58 O OH . TYR A 1 7 ? 3.766 0.589 10.291 1.00 14.39 ? 7 TYR A OH 1 +ATOM 59 O OXT . TYR A 1 7 ? 11.358 2.999 7.612 1.00 17.49 ? 7 TYR A OXT 1 +HETATM 60 O O . HOH B 2 . ? -6.471 5.227 7.124 1.00 22.62 ? 8 HOH A O 1 +HETATM 61 O O . HOH B 2 . ? 10.431 1.858 3.216 1.00 19.71 ? 9 HOH A O 1 +HETATM 62 O O . HOH B 2 . ? -11.286 1.756 -1.468 1.00 17.08 ? 10 HOH A O 1 +HETATM 63 O O . HOH B 2 . ? 11.808 4.179 9.970 1.00 23.99 ? 11 HOH A O 1 +HETATM 64 O O . HOH B 2 . ? 13.605 1.327 9.198 1.00 26.17 ? 12 HOH A O 1 +HETATM 65 O O . HOH B 2 . ? -2.749 3.429 10.024 1.00 39.15 ? 13 HOH A O 1 +HETATM 66 O O . HOH B 2 . ? -1.500 0.682 10.967 1.00 43.49 ? 14 HOH A O 1 +# From 0df8c3a27d2eaec12d692915aed0fda481eb02b9 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 20 Feb 2025 23:39:58 +0100 Subject: [PATCH 078/133] add mmcif with invalid atom type --- .../MDAnalysisTests/coordinates/test_mmcif.py | 18 +++++++++--------- .../data/mmcif/1YJP_invalid.cif | 6 +++--- .../MDAnalysisTests/topology/test_mmcif.py | 5 +++++ 3 files changed, 17 insertions(+), 12 deletions(-) diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py index 10b01f465c3..1d0f2a8e4fa 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -3,26 +3,26 @@ import MDAnalysis as mda import numpy as np import pytest -from numpy.testing import ( - assert_allclose, - assert_almost_equal, - assert_array_almost_equal, - assert_equal, -) +from MDAnalysis.coordinates.MMCIF import HAS_GEMMI from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER -from MDAnalysis.coordinates.MMCIF import HAS_GEMMI @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") -@pytest.mark.parametrize("mmcif_filename", glob.glob(f"{MMCIF_FOLDER}/*.cif*")) +@pytest.mark.parametrize( + "mmcif_filename", + [f for f in glob.glob(f"{MMCIF_FOLDER}/*.cif*") if "invalid" not in f], +) def test_works_with_explicit_format(mmcif_filename): u = mda.Universe(mmcif_filename, format="MMCIF") assert u.trajectory.n_atoms > 0 @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") -@pytest.mark.parametrize("mmcif_filename", glob.glob(f"{MMCIF_FOLDER}/*.cif*")) +@pytest.mark.parametrize( + "mmcif_filename", + [f for f in glob.glob(f"{MMCIF_FOLDER}/*.cif*") if "invalid" not in f], +) def test_works_without_explicit_format(mmcif_filename): u = mda.Universe(mmcif_filename) assert u.trajectory.n_atoms > 0 diff --git a/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif b/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif index 8ab699ebdae..5076c5ac886 100644 --- a/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif +++ b/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif @@ -744,7 +744,7 @@ _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num -ATOM 1 N N . GLY A 1 1 ? -9.009 4.612 6.102 1.00 16.77 ? 1 GLY A N 1 +ATOM 1 X X . GLY A 1 1 ? -9.009 4.612 6.102 1.00 16.77 ? 1 GLY A X 1 ATOM 2 C CA . GLY A 1 1 ? -9.052 4.207 4.651 1.00 16.57 ? 1 GLY A CA 1 ATOM 3 C C . GLY A 1 1 ? -8.015 3.140 4.419 1.00 16.16 ? 1 GLY A C 1 ATOM 4 O O . GLY A 1 1 ? -7.523 2.521 5.381 1.00 16.78 ? 1 GLY A O 1 @@ -790,8 +790,8 @@ ATOM 43 C CB . ASN A 1 6 ? 7.065 3.016 2.993 1.00 12.13 ? 6 ASN A CB 1 ATOM 44 C CG . ASN A 1 6 ? 5.961 2.735 2.003 1.00 12.77 ? 6 ASN A CG 1 ATOM 45 O OD1 . ASN A 1 6 ? 5.798 1.604 1.551 1.00 14.27 ? 6 ASN A OD1 1 ATOM 46 N ND2 . ASN A 1 6 ? 5.195 3.747 1.679 1.00 10.07 ? 6 ASN A ND2 1 -ATOM 47 N N . TYR A 1 7 ? 8.292 1.817 6.147 1.00 14.70 ? 7 TYR A N 1 -ATOM 48 C CA . TYR A 1 7 ? 9.159 2.144 7.299 1.00 15.18 ? 7 TYR A CA 1 +WRONG 47 N N . TYR A 1 7 ? 8.292 1.817 6.147 1.00 14.70 ? 7 TYR A N 1 +WRONG 48 C CA . TYR A 1 7 ? 9.159 2.144 7.299 1.00 15.18 ? 7 TYR A CA 1 ATOM 49 C C . TYR A 1 7 ? 10.603 2.331 6.885 1.00 15.91 ? 7 TYR A C 1 ATOM 50 O O . TYR A 1 7 ? 11.041 1.811 5.855 1.00 15.76 ? 7 TYR A O 1 ATOM 51 C CB . TYR A 1 7 ? 9.061 1.065 8.369 1.00 15.35 ? 7 TYR A CB 1 diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 3ad09c89407..3fc981473f5 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -43,3 +43,8 @@ def test_sequence(mmcif_filename, sequence): for res in u.select_atoms("protein and chainid A").residues ] assert in_structure == sequence, ":".join(in_structure) + + +def test_wrong_format(): + with pytest.raises(ValueError): + mda.Universe(f"{MMCIF_FOLDER}/1YJP_invalid.cif") From 05c6ea1938486b08fd75de64932027850bc6520f Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 20 Feb 2025 23:46:11 +0100 Subject: [PATCH 079/133] add biopython cif and fix invalid cif formatting --- .../MDAnalysisTests/data/mmcif/1YJP_invalid.cif | 2 +- .../MDAnalysisTests/data/mmcif/custom.cif.gz | Bin 0 -> 11385 bytes 2 files changed, 1 insertion(+), 1 deletion(-) create mode 100644 testsuite/MDAnalysisTests/data/mmcif/custom.cif.gz diff --git a/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif b/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif index 5076c5ac886..21d794ab907 100644 --- a/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif +++ b/testsuite/MDAnalysisTests/data/mmcif/1YJP_invalid.cif @@ -744,7 +744,7 @@ _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num -ATOM 1 X X . 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[1] Westbrook, J. D. and Bourne, P. E. `Star/mmCIF: An extensive - ontology for macromolecular structure and beyond.` - *Bioinformatics* (2000) **16**: 159-168. -.. [2] `project-gemmi/gemmi `_ -- library for structural biology in C++11/Python - -See Also --------- -:mod:`MDAnalysis.topology.PDBParser` - For the PDB equivalent of this parser. - -.. versionadded:: 2.8.0 + +.. versionadded:: 2.9.0 """ try: From a82fe52ceeac89f5874182380e760e46c0f0e28f Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 20 Feb 2025 23:53:31 +0100 Subject: [PATCH 081/133] fix fstring --- package/MDAnalysis/topology/MMCIFParser.py | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 9e640bde289..e279ec156bb 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -175,9 +175,7 @@ def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: for record in record_types ] if any((elem is None for elem in record_types)): - raise ValueError( - "Found an atom that is neither ATOM or HETATM" - ) # FIXME: add tests for this + raise ValueError("Found an atom that is neither ATOM or HETATM") attrs = [ AltLocs(altlocs), @@ -307,7 +305,7 @@ def parse(self, **kwargs) -> Topology: if len(structure) > 1: warnings.warn( # FIXME: add tests for this - "MMCIF model {self.filename} contains {len(model)=} different models, " + f"MMCIF model {self.filename} contains {len(structure)=} different models, " "but only the first one will be used to assign the topology" ) model = structure[0] From e3f1714605c6064ae3dca3a9ba614c3c6c6f5d2d Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 20 Feb 2025 23:54:40 +0100 Subject: [PATCH 082/133] replace version to 2.9.0 --- package/MDAnalysis/coordinates/MMCIF.py | 2 +- package/MDAnalysis/topology/MMCIFParser.py | 8 ++++---- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 26718f56e93..616044ddbb1 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -107,7 +107,7 @@ class MMCIFReader(base.SingleFrameReaderBase): is read here (and a warning is thrown). Also, if the structure has a placeholder "CRYST1" record (1, 1, 1, 90, 90, 90), it's set to ``None`` instead. - .. versionadded:: 2.8.0 + .. versionadded:: 2.9.0 """ format = ["cif", "cif.gz", "mmcif"] diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index e279ec156bb..5b46b78c7a3 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -86,7 +86,7 @@ def _into_idx(arr: list) -> list[int]: ------- list[int] -- array where these elements are replaced with their unique indices, in order of appearance. - .. versionadded:: 2.8.0 + .. versionadded:: 2.9.0 """ return [ idx @@ -113,7 +113,7 @@ def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: ValueError if any of the records is neither 'ATOM' nor 'HETATM' - .. versionadded:: 2.8.0 + .. versionadded:: 2.9.0 """ ( altlocs, # at.altloc @@ -211,7 +211,7 @@ def get_Residueattrs( ------- tuple[list[ResidueAttr], np.ndarray] -- first element is list of all extracted attributes, second element is `segidx` - .. versionadded:: 2.8.0 + .. versionadded:: 2.9.0 """ ( icodes, # residue.seqid.icode @@ -259,7 +259,7 @@ def get_Segmentattrs(model: "gemmi.Model") -> list[SegmentAttr]: ------- list[SegmentAttr] -- list of all extracted attributes - .. versionadded:: 2.8.0 + .. versionadded:: 2.9.0 """ segids = [chain.name for chain in model] return [Segids(segids)] From db4601664695723f0482f3f5e7e36e729de1f118 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 20 Feb 2025 23:59:55 +0100 Subject: [PATCH 083/133] fix actions --- .github/actions/setup-deps/action.yaml | 8 ++++---- package/CHANGELOG | 2 ++ 2 files changed, 6 insertions(+), 4 deletions(-) diff --git a/.github/actions/setup-deps/action.yaml b/.github/actions/setup-deps/action.yaml index b1a08cda783..d43982ad8ee 100644 --- a/.github/actions/setup-deps/action.yaml +++ b/.github/actions/setup-deps/action.yaml @@ -23,8 +23,6 @@ inputs: default: 'cython' fasteners: default: 'fasteners' - gemmi: - default: 'gemmi' griddataformats: default: 'griddataformats' gsd: @@ -61,7 +59,9 @@ inputs: dask: default: 'dask' distopia: - default: 'distopia>=0.2.0,<0.3.0' + default: 'distopia>=0.4.0' + gemmi: + default: 'gemmi' h5py: default: 'h5py>=2.10' hole2: @@ -112,7 +112,7 @@ runs: CONDA_MIN_DEPS: | ${{ inputs.codecov }} ${{ inputs.cython }} - ${{ inputs.fasteners }} + ${{ inputs.filelock }} ${{ inputs.griddataformats }} ${{ inputs.hypothesis }} ${{ inputs.matplotlib }} diff --git a/package/CHANGELOG b/package/CHANGELOG index 2d274537769..21164f656ee 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -27,6 +27,8 @@ Fixes the function to prevent shared state. (Issue #4655) Enhancements + * Implementation of PDBx/MMCIF coordinate and topology reader based on + `gemmi` library (Issue #2367) * Improve distopia backend support in line with new functionality available in distopia >= 0.3.1 (PR #4734) * Addition of 'water' token for water selection (Issue #4839) From 32cd10328497955a8bae9d31343e7f8ee9a2f37e Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Sat, 22 Feb 2025 15:05:02 +0100 Subject: [PATCH 084/133] fix datafiles --- testsuite/MDAnalysisTests/datafiles.py | 4 +++- testsuite/MDAnalysisTests/topology/test_mmcif.py | 1 + 2 files changed, 4 insertions(+), 1 deletion(-) diff --git a/testsuite/MDAnalysisTests/datafiles.py b/testsuite/MDAnalysisTests/datafiles.py index 108a6b61b88..ca33ff98b80 100644 --- a/testsuite/MDAnalysisTests/datafiles.py +++ b/testsuite/MDAnalysisTests/datafiles.py @@ -317,7 +317,6 @@ "AUX_EDR_RAW", "AUX_EDR_SINGLE_FRAME", # for testing .edr auxiliary reader "MMTF", - "MMCIF", "MMTF_gz", "MMTF_skinny", # skinny - some optional fields stripped out "MMTF_skinny2", @@ -882,5 +881,8 @@ # DSSP testing: from https://github.com/ShintaroMinami/PyDSSP DSSP = (_data_ref / "dssp").as_posix() +# MMCIF data: valid structures from RCSB and generated by Biopython +MMCIF = (_data_ref / "mmcif").as_posix() + # This should be the last line: clean up namespace del resources diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 3fc981473f5..45217a41cef 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -45,6 +45,7 @@ def test_sequence(mmcif_filename, sequence): assert in_structure == sequence, ":".join(in_structure) +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") def test_wrong_format(): with pytest.raises(ValueError): mda.Universe(f"{MMCIF_FOLDER}/1YJP_invalid.cif") From 805089ebe45c716a62f917be00a74a2454dd8e92 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Fri, 21 Feb 2025 01:05:29 +0100 Subject: [PATCH 085/133] add mmcif to all --- testsuite/MDAnalysisTests/datafiles.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/testsuite/MDAnalysisTests/datafiles.py b/testsuite/MDAnalysisTests/datafiles.py index ca33ff98b80..53c357566d1 100644 --- a/testsuite/MDAnalysisTests/datafiles.py +++ b/testsuite/MDAnalysisTests/datafiles.py @@ -380,10 +380,10 @@ "SURFACE_PDB", # 111 FCC lattice topology for NSGrid bug #2345 "SURFACE_TRR", # full precision coordinates for NSGrid bug #2345 "DSSP", # DSSP test suite + "MMCIF", # MMCIF test suite ] from importlib import resources -import MDAnalysisTests.data _data_ref = resources.files("MDAnalysisTests.data") From 55c3dbbdc79758992d1b673e6cd067eb73280b44 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Sat, 22 Feb 2025 15:17:05 +0100 Subject: [PATCH 086/133] add mmcif to coordinates and topology modules --- .../sphinx/source/documentation_pages/coordinates_modules.rst | 1 + .../doc/sphinx/source/documentation_pages/topology_modules.rst | 3 ++- 2 files changed, 3 insertions(+), 1 deletion(-) diff --git a/package/doc/sphinx/source/documentation_pages/coordinates_modules.rst b/package/doc/sphinx/source/documentation_pages/coordinates_modules.rst index af726d0f857..0d1b83ae45d 100644 --- a/package/doc/sphinx/source/documentation_pages/coordinates_modules.rst +++ b/package/doc/sphinx/source/documentation_pages/coordinates_modules.rst @@ -30,6 +30,7 @@ provide the format in the keyword argument *format* to coordinates/INPCRD coordinates/LAMMPS coordinates/MMTF + coordinates/MMCIF coordinates/MOL2 coordinates/NAMDBIN coordinates/PDB diff --git a/package/doc/sphinx/source/documentation_pages/topology_modules.rst b/package/doc/sphinx/source/documentation_pages/topology_modules.rst index e1f818adabf..03582e4465e 100644 --- a/package/doc/sphinx/source/documentation_pages/topology_modules.rst +++ b/package/doc/sphinx/source/documentation_pages/topology_modules.rst @@ -9,7 +9,7 @@ files. MDAnalysis uses topology files to identify atoms and bonds between the atoms. It can use topology files from MD packages such as CHARMM's and NAMD's PSF format or Amber's PRMTOP files. In addition, it can also glean atom information from single frame coordinate files -such the PDB, CRD, or PQR formats (see the :ref:`Supported topology +such the PDB, CRD, MMCIF, or PQR formats (see the :ref:`Supported topology formats`). Typically, MDAnalysis recognizes formats by the file extension and @@ -38,6 +38,7 @@ topology file format in the *topology_format* keyword argument to topology/MinimalParser topology/MMTFParser topology/MOL2Parser + topology/MMCIFParser topology/PDBParser topology/ExtendedPDBParser topology/PDBQTParser From cd201d0731a6c57ec314493075c6a5a81221094e Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Sat, 22 Feb 2025 15:26:58 +0100 Subject: [PATCH 087/133] update docs following yuxuanzhuang comments --- package/MDAnalysis/coordinates/MMCIF.py | 11 ++++-- package/MDAnalysis/topology/MMCIFParser.py | 43 +++++++++++++--------- 2 files changed, 34 insertions(+), 20 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 616044ddbb1..377dcd5fbb4 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -1,4 +1,8 @@ -"""MMCIF structure files in MDAnalysis --- :mod:`MDAnalysis.coordinates.MMCIF` +# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- +# vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 +# +""" +MMCIF structure files in MDAnalysis --- :mod:`MDAnalysis.coordinates.MMCIF` ========================================================================== MDAnalysis reads coordinates from MMCIF (macromolecular Crystallographic Information File) files, also known as PDBx/mmCIF format, @@ -42,6 +46,7 @@ Basic structure loading:: .. code-block:: python + # Load structure from MMCIF u = mda.Universe("structure.cif") @@ -57,8 +62,8 @@ See Also -------- -- wwPDB MMCIF Resources: http://mmcif.wwpdb.org -- Gemmi library documentation: https://gemmi.readthedocs.io +- wwPDB MMCIF Resources: _ +- Gemmi library documentation: _ .. versionadded:: 2.9.0 """ diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 5b46b78c7a3..b71b82b7608 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -1,31 +1,40 @@ +# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- +# vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 +# """ MMCIF Topology Parser ==================== -Read topology information from mmCIF/PDBx coordinate files using the [gemmi](https://github.com/project-gemmi/gemmi) library. +Read topology information from mmCIF/PDBx coordinate files using the `Gemmi library `_ mmCIF files contain topology information about the molecules in the structure. For each atom the following attributes are read and stored in the relevant topology attributes: - :class:`..core.topologyattrs.AtomAttr` subclasses: - - :class:`..core.topologyattrs.AltLocs` - - :class:`..core.topologyattrs.Atomids` - - :class:`..core.topologyattrs.Atomnames` - - :class:`..core.topologyattrs.Atomtypes` - - :class:`..core.topologyattrs.ChainIDs` - - :class:`..core.topologyattrs.Elements` - - :class:`..core.topologyattrs.FormalCharges` - - :class:`..core.topologyattrs.Masses` - - :class:`..core.topologyattrs.Occupancies` - - :class:`..core.topologyattrs.RecordTypes` - - :class:`..core.topologyattrs.Tempfactors` + - :class:`MDAnalysis.core.topologyattrs.AltLocs` + - :class:`MDAnalysis.core.topologyattrs.Atomids` + - :class:`MDAnalysis.core.topologyattrs.Atomnames` + - :class:`MDAnalysis.core.topologyattrs.Atomtypes` + - :class:`MDAnalysis.core.topologyattrs.ChainIDs` + - :class:`MDAnalysis.core.topologyattrs.Elements` + - :class:`MDAnalysis.core.topologyattrs.FormalCharges` + - :class:`MDAnalysis.core.topologyattrs.Masses` + - :class:`MDAnalysis.core.topologyattrs.Occupancies` + - :class:`MDAnalysis.core.topologyattrs.RecordTypes` + - :class:`MDAnalysis.core.topologyattrs.Tempfactors` - :class:`..core.topologyattrs.ResidueAttr` subclasses: - - :class:`..core.topologyattrs.Resnums` - - :class:`..core.topologyattrs.ICodes` - - :class:`..core.topologyattrs.Resids` - - :class:`..core.topologyattrs.Resnames` + - :class:`MDAnalysis.core.topologyattrs.Resnums` + - :class:`MDAnalysis.core.topologyattrs.ICodes` + - :class:`MDAnalysis.core.topologyattrs.Resids` + - :class:`MDAnalysis.core.topologyattrs.Resnames` - :class:`..core.topologyattrs.SegmentAttr` subclasses: - - :class:`..core.topologyattrs.Segids` + - :class:`MDAnalysis.core.topologyattrs.Segids` +Classes +------- + +.. autoclass:: MMCIFParser + :members: + :inherited-members: .. versionadded:: 2.9.0 """ From 22d1cca7afc4b1b8d30bca4ec567a5806667a417 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Sat, 22 Feb 2025 15:36:34 +0100 Subject: [PATCH 088/133] add linked issues and prs to changelog --- package/CHANGELOG | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/package/CHANGELOG b/package/CHANGELOG index 21164f656ee..dc711bfdcec 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -28,7 +28,7 @@ Fixes Enhancements * Implementation of PDBx/MMCIF coordinate and topology reader based on - `gemmi` library (Issue #2367) + `gemmi` library (fixes issue #2367, extends issue #4303, PR #4712) * Improve distopia backend support in line with new functionality available in distopia >= 0.3.1 (PR #4734) * Addition of 'water' token for water selection (Issue #4839) From d1ba434054748cfd3a92b65ef7635d18a1fdd425 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Sun, 23 Feb 2025 13:38:23 +0100 Subject: [PATCH 089/133] remove mmcif files from black ignore --- package/pyproject.toml | 30 +- .../MDAnalysisTests/data/mmcif/multimodel.cif | 7093 +++++++++++++++++ testsuite/pyproject.toml | 2 - 3 files changed, 7108 insertions(+), 17 deletions(-) create mode 100644 testsuite/MDAnalysisTests/data/mmcif/multimodel.cif diff --git a/package/pyproject.toml b/package/pyproject.toml index b77f359706c..8f08393e54a 100644 --- a/package/pyproject.toml +++ b/package/pyproject.toml @@ -19,13 +19,13 @@ build-backend = "setuptools.build_meta" [project] name = "MDAnalysis" dynamic = ['version', 'readme'] -license = {file = "LICENSE"} +license = { file = "LICENSE" } description = "An object-oriented toolkit to analyze molecular dynamics trajectories." authors = [ - {name = 'MDAnalysis Development Team', email = 'mdanalysis@numfocus.org'} + { name = 'MDAnalysis Development Team', email = 'mdanalysis@numfocus.org' }, ] maintainers = [ - {name = 'MDAnalysis Core Developers', email = 'mdanalysis@numfocus.org'} + { name = 'MDAnalysis Core Developers', email = 'mdanalysis@numfocus.org' }, ] requires-python = ">=3.10" dependencies = [ @@ -45,8 +45,14 @@ dependencies = [ 'mdahole2', ] keywords = [ - "python", "science", "chemistry", "biophysics", "molecular-dynamics", - "computational-chemistry", "molecular-simulation", "analysis", + "python", + "science", + "chemistry", + "biophysics", + "molecular-dynamics", + "computational-chemistry", + "molecular-simulation", + "analysis", "trajectory-analysis", ] classifiers = [ @@ -79,7 +85,7 @@ extra_formats = [ "pytng>=0.2.3", "gsd>3.0.0", "rdkit>=2020.03.1", - "gemmi", # for mmcif format + "gemmi", # for mmcif format ] analysis = [ "biopython>=1.80", @@ -96,9 +102,7 @@ doc = [ "pybtex", "pybtex-docutils", ] -parallel = [ - "dask", -] +parallel = ["dask"] [project.urls] Homepage = "https://www.mdanalysis.org" @@ -120,16 +124,14 @@ zip-safe = false find = {} [tool.setuptools.package-data] -MDAnalysis = [ - 'analysis/data/*.npy', -] +MDAnalysis = ['analysis/data/*.npy'] [tool.black] line-length = 79 target-version = ['py310', 'py311', 'py312', 'py313'] extend-exclude = ''' ( -__pycache__ +__pycache__ | MDAnalysis/core/selection\.py | MDAnalysis/analysis/atomicdistances\.py | MDAnalysis/topology/CMSParser\.py @@ -139,9 +141,7 @@ __pycache__ | MDAnalysis/analysis/align\.py | MDAnalysis/analysis/dasktimeseries\.py | MDAnalysis/coordinates/H5MD\.py -| MDAnalysis/coordinates/MMCIF\.py | MDAnalysis/coordinates/__init__\.py -| MDAnalysis/topology/MMCIFParser\.py | MDAnalysis/topology/PDBParser\.py | MDAnalysis/topology/__init__\.py | MDAnalysis/topology/tpr/utils\.py diff --git a/testsuite/MDAnalysisTests/data/mmcif/multimodel.cif b/testsuite/MDAnalysisTests/data/mmcif/multimodel.cif new file mode 100644 index 00000000000..dfa482ea1a7 --- /dev/null +++ b/testsuite/MDAnalysisTests/data/mmcif/multimodel.cif @@ -0,0 +1,7093 @@ +# generated by PyMOL 3.0.3 +# +data_mmodel +_entry.id mmodel +# +_cell.entry_id mmodel +_cell.length_a 79.723 +_cell.length_b 90.460 +_cell.length_c 69.404 +_cell.angle_alpha 90.00 +_cell.angle_beta 98.19 +_cell.angle_gamma 90.00 +_symmetry.entry_id mmodel +_symmetry.space_group_name_H-M 'C 1 2 1' +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_asym_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . PRO A 1 2 ? 31.242 3.064 39.284 1.00 40.30 0 A 1 +ATOM 2 C CA . PRO A 1 2 ? 31.195 2.392 37.963 1.00 33.93 0 A 1 +ATOM 3 C C . PRO A 1 2 ? 29.975 2.923 37.197 1.00 24.70 0 A 1 +ATOM 4 O O . PRO A 1 2 ? 29.727 4.132 37.181 1.00 17.72 0 A 1 +ATOM 5 C CB . PRO A 1 2 ? 31.063 0.905 38.251 1.00 42.93 0 A 1 +ATOM 6 C CG . PRO A 1 2 ? 30.276 0.947 39.549 1.00 45.34 0 A 1 +ATOM 7 C CD . PRO A 1 2 ? 30.829 2.121 40.343 1.00 46.68 0 A 1 +ATOM 8 N N . TYR A 1 3 ? 29.189 2.020 36.613 1.00 20.79 0 A 1 +ATOM 9 C CA . TYR A 1 3 ? 28.011 2.405 35.850 1.00 17.22 0 A 1 +ATOM 10 C C . TYR A 1 3 ? 26.711 1.995 36.517 1.00 14.75 0 A 1 +ATOM 11 O O . TYR A 1 3 ? 26.629 0.949 37.161 1.00 21.91 0 A 1 +ATOM 12 C CB . TYR A 1 3 ? 28.055 1.772 34.459 1.00 15.81 0 A 1 +ATOM 13 C CG . TYR A 1 3 ? 29.318 2.059 33.684 1.00 11.31 0 A 1 +ATOM 14 C CD1 . TYR A 1 3 ? 29.678 3.366 33.355 1.00 9.55 0 A 1 +ATOM 15 C CD2 . TYR A 1 3 ? 30.149 1.023 33.267 1.00 10.62 0 A 1 +ATOM 16 C CE1 . TYR A 1 3 ? 30.835 3.633 32.629 1.00 10.73 0 A 1 +ATOM 17 C CE2 . TYR A 1 3 ? 31.308 1.279 32.539 1.00 15.60 0 A 1 +ATOM 18 C CZ . TYR A 1 3 ? 31.645 2.584 32.226 1.00 18.08 0 A 1 +ATOM 19 O OH . TYR A 1 3 ? 32.803 2.828 31.528 1.00 26.51 0 A 1 +ATOM 20 N N . THR A 1 4 ? 25.683 2.804 36.297 1.00 11.26 0 A 1 +ATOM 21 C CA . THR A 1 4 ? 24.361 2.547 36.835 1.00 16.83 0 A 1 +ATOM 22 C C . THR A 1 4 ? 23.337 2.985 35.797 1.00 18.11 0 A 1 +ATOM 23 O O . THR A 1 4 ? 23.374 4.124 35.335 1.00 13.77 0 A 1 +ATOM 24 C CB . THR A 1 4 ? 24.097 3.357 38.132 1.00 19.14 0 A 1 +ATOM 25 C CG2 . THR A 1 4 ? 22.713 3.031 38.699 1.00 13.24 0 A 1 +ATOM 26 O OG1 . THR A 1 4 ? 25.094 3.042 39.110 1.00 23.80 0 A 1 +ATOM 27 N N . VAL A 1 5 ? 22.463 2.071 35.385 1.00 17.20 0 A 1 +ATOM 28 C CA . VAL A 1 5 ? 21.420 2.437 34.438 1.00 19.45 0 A 1 +ATOM 29 C C . VAL A 1 5 ? 20.078 2.369 35.160 1.00 18.28 0 A 1 +ATOM 30 O O . VAL A 1 5 ? 19.743 1.367 35.790 1.00 18.41 0 A 1 +ATOM 31 C CB . VAL A 1 5 ? 21.436 1.582 33.113 1.00 16.72 0 A 1 +ATOM 32 C CG1 . VAL A 1 5 ? 22.717 0.779 32.989 1.00 7.74 0 A 1 +ATOM 33 C CG2 . VAL A 1 5 ? 20.204 0.704 32.988 1.00 7.61 0 A 1 +ATOM 34 N N . VAL A 1 6 ? 19.366 3.488 35.149 1.00 16.51 0 A 1 +ATOM 35 C CA . VAL A 1 6 ? 18.059 3.585 35.781 1.00 13.04 0 A 1 +ATOM 36 C C . VAL A 1 6 ? 17.049 3.522 34.638 1.00 12.99 0 A 1 +ATOM 37 O O . VAL A 1 6 ? 17.045 4.385 33.752 1.00 12.15 0 A 1 +ATOM 38 C CB . VAL A 1 6 ? 17.906 4.919 36.550 1.00 11.40 0 A 1 +ATOM 39 C CG1 . VAL A 1 6 ? 16.592 4.937 37.304 1.00 5.99 0 A 1 +ATOM 40 C CG2 . VAL A 1 6 ? 19.084 5.122 37.497 1.00 5.71 0 A 1 +ATOM 41 N N . TYR A 1 7 ? 16.196 2.504 34.657 1.00 15.71 0 A 1 +ATOM 42 C CA . TYR A 1 7 ? 15.226 2.331 33.585 1.00 16.80 0 A 1 +ATOM 43 C C . TYR A 1 7 ? 14.067 1.427 33.993 1.00 16.48 0 A 1 +ATOM 44 O O . TYR A 1 7 ? 14.097 0.789 35.042 1.00 16.21 0 A 1 +ATOM 45 C CB . TYR A 1 7 ? 15.954 1.735 32.372 1.00 9.91 0 A 1 +ATOM 46 C CG . TYR A 1 7 ? 15.202 1.810 31.064 1.00 15.33 0 A 1 +ATOM 47 C CD1 . TYR A 1 7 ? 14.713 3.025 30.580 1.00 15.73 0 A 1 +ATOM 48 C CD2 . TYR A 1 7 ? 14.995 0.665 30.297 1.00 11.86 0 A 1 +ATOM 49 C CE1 . TYR A 1 7 ? 14.036 3.095 29.363 1.00 15.11 0 A 1 +ATOM 50 C CE2 . TYR A 1 7 ? 14.323 0.723 29.083 1.00 14.63 0 A 1 +ATOM 51 C CZ . TYR A 1 7 ? 13.846 1.938 28.621 1.00 17.31 0 A 1 +ATOM 52 O OH . TYR A 1 7 ? 13.180 1.997 27.419 1.00 11.41 0 A 1 +ATOM 53 N N . PHE A 1 8 ? 13.041 1.388 33.152 1.00 17.60 0 A 1 +ATOM 54 C CA . PHE A 1 8 ? 11.870 0.551 33.384 1.00 22.06 0 A 1 +ATOM 55 C C . PHE A 1 8 ? 12.265 -0.902 33.111 1.00 17.73 0 A 1 +ATOM 56 O O . PHE A 1 8 ? 13.297 -1.157 32.496 1.00 22.80 0 A 1 +ATOM 57 C CB . PHE A 1 8 ? 10.742 0.990 32.454 1.00 22.75 0 A 1 +ATOM 58 C CG . PHE A 1 8 ? 10.344 2.426 32.635 1.00 23.49 0 A 1 +ATOM 59 C CD1 . PHE A 1 8 ? 9.655 2.833 33.777 1.00 23.87 0 A 1 +ATOM 60 C CD2 . PHE A 1 8 ? 10.680 3.380 31.679 1.00 20.62 0 A 1 +ATOM 61 C CE1 . PHE A 1 8 ? 9.306 4.171 33.966 1.00 29.01 0 A 1 +ATOM 62 C CE2 . PHE A 1 8 ? 10.337 4.724 31.856 1.00 26.13 0 A 1 +ATOM 63 C CZ . PHE A 1 8 ? 9.649 5.120 33.002 1.00 29.47 0 A 1 +ATOM 64 N N . PRO A 1 9 ? 11.475 -1.874 33.599 1.00 19.54 0 A 1 +ATOM 65 C CA . PRO A 1 9 ? 11.810 -3.285 33.365 1.00 19.74 0 A 1 +ATOM 66 C C . PRO A 1 9 ? 11.527 -3.784 31.939 1.00 19.18 0 A 1 +ATOM 67 O O . PRO A 1 9 ? 10.777 -4.740 31.743 1.00 18.62 0 A 1 +ATOM 68 C CB . PRO A 1 9 ? 10.955 -4.005 34.409 1.00 20.12 0 A 1 +ATOM 69 C CG . PRO A 1 9 ? 9.724 -3.141 34.473 1.00 21.71 0 A 1 +ATOM 70 C CD . PRO A 1 9 ? 10.312 -1.748 34.496 1.00 25.50 0 A 1 +ATOM 71 N N . VAL A 1 10 ? 12.125 -3.123 30.949 1.00 19.05 0 A 1 +ATOM 72 C CA . VAL A 1 10 ? 11.969 -3.489 29.541 1.00 16.29 0 A 1 +ATOM 73 C C . VAL A 1 10 ? 13.312 -3.289 28.850 1.00 20.35 0 A 1 +ATOM 74 O O . VAL A 1 10 ? 14.214 -2.661 29.407 1.00 21.82 0 A 1 +ATOM 75 C CB . VAL A 1 10 ? 10.906 -2.613 28.810 1.00 16.76 0 A 1 +ATOM 76 C CG1 . VAL A 1 10 ? 9.550 -2.724 29.493 1.00 18.08 0 A 1 +ATOM 77 C CG2 . VAL A 1 10 ? 11.359 -1.160 28.743 1.00 19.81 0 A 1 +ATOM 78 N N . ARG A 1 11 ? 13.460 -3.848 27.653 1.00 14.81 0 A 1 +ATOM 79 C CA . ARG A 1 11 ? 14.701 -3.694 26.898 1.00 12.30 0 A 1 +ATOM 80 C C . ARG A 1 11 ? 14.738 -2.278 26.338 1.00 14.57 0 A 1 +ATOM 81 O O . ARG A 1 11 ? 15.679 -1.529 26.597 1.00 13.86 0 A 1 +ATOM 82 C CB . ARG A 1 11 ? 14.773 -4.713 25.762 1.00 7.23 0 A 1 +ATOM 83 C CG . ARG A 1 11 ? 14.797 -6.150 26.244 1.00 11.02 0 A 1 +ATOM 84 C CD . ARG A 1 11 ? 14.943 -7.120 25.092 1.00 11.90 0 A 1 +ATOM 85 N NE . ARG A 1 11 ? 14.609 -8.476 25.509 1.00 13.33 0 A 1 +ATOM 86 C CZ . ARG A 1 11 ? 14.246 -9.448 24.679 1.00 18.91 0 A 1 +ATOM 87 N NH1 . ARG A 1 11 ? 14.176 -9.219 23.375 1.00 15.76 0 A 1 +ATOM 88 N NH2 . ARG A 1 11 ? 13.917 -10.638 25.163 1.00 20.85 0 A 1 +ATOM 89 N N . GLY A 1 12 ? 13.692 -1.933 25.585 1.00 15.01 0 A 1 +ATOM 90 C CA . GLY A 1 12 ? 13.546 -0.612 24.995 1.00 11.84 0 A 1 +ATOM 91 C C . GLY A 1 12 ? 14.805 0.095 24.539 1.00 10.99 0 A 1 +ATOM 92 O O . GLY A 1 12 ? 15.615 -0.464 23.794 1.00 5.92 0 A 1 +ATOM 93 N N . ARG A 1 13 ? 14.993 1.315 25.032 1.00 14.50 0 A 1 +ATOM 94 C CA . ARG A 1 13 ? 16.152 2.121 24.667 1.00 14.34 0 A 1 +ATOM 95 C C . ARG A 1 13 ? 17.452 1.819 25.406 1.00 14.90 0 A 1 +ATOM 96 O O . ARG A 1 13 ? 18.432 2.551 25.256 1.00 13.09 0 A 1 +ATOM 97 C CB . ARG A 1 13 ? 15.815 3.611 24.771 1.00 8.69 0 A 1 +ATOM 98 C CG . ARG A 1 13 ? 14.896 4.098 23.662 1.00 6.42 0 A 1 +ATOM 99 C CD . ARG A 1 13 ? 14.694 5.596 23.736 1.00 9.52 0 A 1 +ATOM 100 N NE . ARG A 1 13 ? 13.987 6.117 22.568 1.00 11.58 0 A 1 +ATOM 101 C CZ . ARG A 1 13 ? 14.584 6.502 21.444 1.00 7.79 0 A 1 +ATOM 102 N NH1 . ARG A 1 13 ? 15.904 6.417 21.320 1.00 9.98 0 A 1 +ATOM 103 N NH2 . ARG A 1 13 ? 13.856 6.965 20.438 1.00 13.57 0 A 1 +ATOM 104 N N . CYS A 1 14 ? 17.470 0.750 26.199 1.00 8.01 0 A 1 +ATOM 105 C CA . CYS A 1 14 ? 18.685 0.383 26.927 1.00 10.51 0 A 1 +ATOM 106 C C . CYS A 1 14 ? 19.309 -0.901 26.413 1.00 6.86 0 A 1 +ATOM 107 O O . CYS A 1 14 ? 20.429 -1.250 26.795 1.00 11.77 0 A 1 +ATOM 108 C CB . CYS A 1 14 ? 18.411 0.265 28.428 1.00 10.12 0 A 1 +ATOM 109 S SG . CYS A 1 14 ? 18.129 1.852 29.221 1.00 20.17 0 A 1 +ATOM 110 N N . ALA A 1 15 ? 18.591 -1.590 25.530 1.00 12.16 0 A 1 +ATOM 111 C CA . ALA A 1 15 ? 19.059 -2.847 24.959 1.00 10.59 0 A 1 +ATOM 112 C C . ALA A 1 15 ? 20.445 -2.728 24.332 1.00 13.22 0 A 1 +ATOM 113 O O . ALA A 1 15 ? 21.353 -3.490 24.667 1.00 16.19 0 A 1 +ATOM 114 C CB . ALA A 1 15 ? 18.048 -3.362 23.935 1.00 11.84 0 A 1 +ATOM 115 N N . ALA A 1 16 ? 20.620 -1.732 23.470 1.00 10.66 0 A 1 +ATOM 116 C CA . ALA A 1 16 ? 21.892 -1.515 22.794 1.00 10.55 0 A 1 +ATOM 117 C C . ALA A 1 16 ? 23.036 -1.185 23.745 1.00 11.77 0 A 1 +ATOM 118 O O . ALA A 1 16 ? 24.125 -1.760 23.631 1.00 13.30 0 A 1 +ATOM 119 C CB . ALA A 1 16 ? 21.747 -0.433 21.742 1.00 7.90 0 A 1 +ATOM 120 N N . LEU A 1 17 ? 22.792 -0.282 24.694 1.00 13.79 0 A 1 +ATOM 121 C CA . LEU A 1 17 ? 23.834 0.100 25.648 1.00 15.76 0 A 1 +ATOM 122 C C . LEU A 1 17 ? 24.190 -1.056 26.589 1.00 15.63 0 A 1 +ATOM 123 O O . LEU A 1 17 ? 25.335 -1.168 27.035 1.00 14.09 0 A 1 +ATOM 124 C CB . LEU A 1 17 ? 23.454 1.381 26.416 1.00 18.31 0 A 1 +ATOM 125 C CG . LEU A 1 17 ? 22.302 1.445 27.420 1.00 15.06 0 A 1 +ATOM 126 C CD1 . LEU A 1 17 ? 22.845 1.235 28.820 1.00 7.81 0 A 1 +ATOM 127 C CD2 . LEU A 1 17 ? 21.617 2.808 27.334 1.00 11.06 0 A 1 +ATOM 128 N N . ARG A 1 18 ? 23.223 -1.931 26.859 1.00 12.95 0 A 1 +ATOM 129 C CA . ARG A 1 18 ? 23.468 -3.096 27.707 1.00 9.44 0 A 1 +ATOM 130 C C . ARG A 1 18 ? 24.332 -4.104 26.951 1.00 14.72 0 A 1 +ATOM 131 O O . ARG A 1 18 ? 25.273 -4.670 27.516 1.00 19.95 0 A 1 +ATOM 132 C CB . ARG A 1 18 ? 22.155 -3.748 28.125 1.00 3.62 0 A 1 +ATOM 133 C CG . ARG A 1 18 ? 21.408 -2.979 29.195 1.00 4.59 0 A 1 +ATOM 134 C CD . ARG A 1 18 ? 19.985 -3.478 29.308 1.00 6.07 0 A 1 +ATOM 135 N NE . ARG A 1 18 ? 19.289 -2.858 30.426 1.00 9.44 0 A 1 +ATOM 136 C CZ . ARG A 1 18 ? 17.970 -2.717 30.505 1.00 10.49 0 A 1 +ATOM 137 N NH1 . ARG A 1 18 ? 17.188 -3.148 29.523 1.00 11.64 0 A 1 +ATOM 138 N NH2 . ARG A 1 18 ? 17.430 -2.148 31.577 1.00 12.21 0 A 1 +ATOM 139 N N . MET A 1 19 ? 24.019 -4.313 25.671 1.00 15.59 0 A 1 +ATOM 140 C CA . MET A 1 19 ? 24.787 -5.237 24.834 1.00 9.53 0 A 1 +ATOM 141 C C . MET A 1 19 ? 26.219 -4.743 24.714 1.00 13.51 0 A 1 +ATOM 142 O O . MET A 1 19 ? 27.158 -5.536 24.713 1.00 17.53 0 A 1 +ATOM 143 C CB . MET A 1 19 ? 24.185 -5.341 23.433 1.00 6.12 0 A 1 +ATOM 144 C CG . MET A 1 19 ? 22.786 -5.920 23.379 1.00 14.48 0 A 1 +ATOM 145 S SD . MET A 1 19 ? 22.261 -6.218 21.687 1.00 21.44 0 A 1 +ATOM 146 C CE . MET A 1 19 ? 22.032 -4.592 21.115 1.00 21.58 0 A 1 +ATOM 147 N N . LEU A 1 20 ? 26.374 -3.425 24.611 1.00 14.94 0 A 1 +ATOM 148 C CA . LEU A 1 20 ? 27.689 -2.804 24.493 1.00 13.85 0 A 1 +ATOM 149 C C . LEU A 1 20 ? 28.521 -3.068 25.751 1.00 14.37 0 A 1 +ATOM 150 O O . LEU A 1 20 ? 29.675 -3.501 25.665 1.00 19.83 0 A 1 +ATOM 151 C CB . LEU A 1 20 ? 27.529 -1.296 24.252 1.00 6.31 0 A 1 +ATOM 152 C CG . LEU A 1 20 ? 28.749 -0.433 23.902 1.00 7.04 0 A 1 +ATOM 153 C CD1 . LEU A 1 20 ? 28.275 0.862 23.265 1.00 6.73 0 A 1 +ATOM 154 C CD2 . LEU A 1 20 ? 29.615 -0.147 25.128 1.00 2.64 0 A 1 +ATOM 155 N N . LEU A 1 21 ? 27.932 -2.792 26.914 1.00 15.44 0 A 1 +ATOM 156 C CA . LEU A 1 21 ? 28.607 -3.002 28.192 1.00 17.44 0 A 1 +ATOM 157 C C . LEU A 1 21 ? 28.966 -4.472 28.388 1.00 19.16 0 A 1 +ATOM 158 O O . LEU A 1 21 ? 30.093 -4.793 28.748 1.00 21.14 0 A 1 +ATOM 159 C CB . LEU A 1 21 ? 27.728 -2.518 29.350 1.00 12.85 0 A 1 +ATOM 160 C CG . LEU A 1 21 ? 27.585 -1.001 29.494 1.00 11.49 0 A 1 +ATOM 161 C CD1 . LEU A 1 21 ? 26.521 -0.668 30.522 1.00 17.36 0 A 1 +ATOM 162 C CD2 . LEU A 1 21 ? 28.925 -0.394 29.884 1.00 12.50 0 A 1 +ATOM 163 N N . ALA A 1 22 ? 28.013 -5.356 28.115 1.00 19.03 0 A 1 +ATOM 164 C CA . ALA A 1 22 ? 28.224 -6.793 28.258 1.00 22.56 0 A 1 +ATOM 165 C C . ALA A 1 22 ? 29.358 -7.280 27.364 1.00 20.63 0 A 1 +ATOM 166 O O . ALA A 1 22 ? 30.309 -7.909 27.836 1.00 23.57 0 A 1 +ATOM 167 C CB . ALA A 1 22 ? 26.946 -7.539 27.928 1.00 20.00 0 A 1 +ATOM 168 N N . ASP A 1 23 ? 29.276 -6.943 26.081 1.00 17.90 0 A 1 +ATOM 169 C CA . ASP A 1 23 ? 30.281 -7.348 25.105 1.00 14.29 0 A 1 +ATOM 170 C C . ASP A 1 23 ? 31.676 -6.787 25.386 1.00 18.12 0 A 1 +ATOM 171 O O . ASP A 1 23 ? 32.681 -7.407 25.036 1.00 19.17 0 A 1 +ATOM 172 C CB . ASP A 1 23 ? 29.836 -6.954 23.693 1.00 20.25 0 A 1 +ATOM 173 C CG . ASP A 1 23 ? 30.595 -7.706 22.612 1.00 24.17 0 A 1 +ATOM 174 O OD1 . ASP A 1 23 ? 30.503 -8.949 22.578 1.00 27.18 0 A 1 +ATOM 175 O OD2 . ASP A 1 23 ? 31.316 -7.074 21.815 1.00 20.09 0 A 1 +ATOM 176 N N . GLN A 1 24 ? 31.738 -5.613 26.006 1.00 23.01 0 A 1 +ATOM 177 C CA . GLN A 1 24 ? 33.020 -4.987 26.329 1.00 20.04 0 A 1 +ATOM 178 C C . GLN A 1 24 ? 33.566 -5.446 27.673 1.00 13.67 0 A 1 +ATOM 179 O O . GLN A 1 24 ? 34.592 -4.950 28.133 1.00 25.20 0 A 1 +ATOM 180 C CB . GLN A 1 24 ? 32.897 -3.461 26.306 1.00 19.61 0 A 1 +ATOM 181 C CG . GLN A 1 24 ? 32.696 -2.884 24.907 1.00 17.00 0 A 1 +ATOM 182 C CD . GLN A 1 24 ? 33.820 -3.268 23.968 1.00 20.65 0 A 1 +ATOM 183 N NE2 . GLN A 1 24 ? 33.472 -3.759 22.785 1.00 15.36 0 A 1 +ATOM 184 O OE1 . GLN A 1 24 ? 34.994 -3.138 24.317 1.00 16.56 0 A 1 +ATOM 185 N N . GLY A 1 25 ? 32.870 -6.391 28.298 1.00 13.69 0 A 1 +ATOM 186 C CA . GLY A 1 25 ? 33.295 -6.918 29.582 1.00 19.04 0 A 1 +ATOM 187 C C . GLY A 1 25 ? 33.165 -5.936 30.730 1.00 23.40 0 A 1 +ATOM 188 O O . GLY A 1 25 ? 33.950 -5.973 31.667 1.00 22.15 0 A 1 +ATOM 189 N N . GLN A 1 26 ? 32.171 -5.058 30.658 1.00 22.37 0 A 1 +ATOM 190 C CA . GLN A 1 26 ? 31.943 -4.060 31.700 1.00 22.39 0 A 1 +ATOM 191 C C . GLN A 1 26 ? 30.861 -4.495 32.677 1.00 23.82 0 A 1 +ATOM 192 O O . GLN A 1 26 ? 29.915 -5.189 32.306 1.00 27.13 0 A 1 +ATOM 193 C CB . GLN A 1 26 ? 31.540 -2.719 31.078 1.00 22.15 0 A 1 +ATOM 194 C CG . GLN A 1 26 ? 32.541 -2.161 30.083 1.00 24.58 0 A 1 +ATOM 195 C CD . GLN A 1 26 ? 33.901 -1.926 30.700 1.00 25.38 0 A 1 +ATOM 196 N NE2 . GLN A 1 26 ? 34.953 -2.229 29.948 1.00 26.76 0 A 1 +ATOM 197 O OE1 . GLN A 1 26 ? 34.008 -1.498 31.850 1.00 28.09 0 A 1 +ATOM 198 N N . SER A 1 27 ? 31.007 -4.064 33.926 1.00 25.17 0 A 1 +ATOM 199 C CA . SER A 1 27 ? 30.052 -4.378 34.983 1.00 25.84 0 A 1 +ATOM 200 C C . SER A 1 27 ? 29.194 -3.143 35.206 1.00 22.71 0 A 1 +ATOM 201 O O . SER A 1 27 ? 29.686 -2.018 35.124 1.00 21.89 0 A 1 +ATOM 202 C CB . SER A 1 27 ? 30.786 -4.692 36.291 1.00 30.59 0 A 1 +ATOM 203 O OG . SER A 1 27 ? 31.909 -5.523 36.071 1.00 38.10 0 A 1 +ATOM 204 N N . TRP A 1 28 ? 27.915 -3.345 35.493 1.00 19.21 0 A 1 +ATOM 205 C CA . TRP A 1 28 ? 27.033 -2.220 35.755 1.00 19.94 0 A 1 +ATOM 206 C C . TRP A 1 28 ? 25.903 -2.616 36.697 1.00 17.58 0 A 1 +ATOM 207 O O . TRP A 1 28 ? 25.584 -3.795 36.841 1.00 22.16 0 A 1 +ATOM 208 C CB . TRP A 1 28 ? 26.472 -1.638 34.453 1.00 14.32 0 A 1 +ATOM 209 C CG . TRP A 1 28 ? 25.449 -2.498 33.757 1.00 16.19 0 A 1 +ATOM 210 C CD1 . TRP A 1 28 ? 24.090 -2.375 33.830 1.00 14.18 0 A 1 +ATOM 211 C CD2 . TRP A 1 28 ? 25.709 -3.566 32.833 1.00 15.51 0 A 1 +ATOM 212 C CE2 . TRP A 1 28 ? 24.457 -4.035 32.378 1.00 13.32 0 A 1 +ATOM 213 C CE3 . TRP A 1 28 ? 26.877 -4.171 32.344 1.00 12.70 0 A 1 +ATOM 214 N NE1 . TRP A 1 28 ? 23.491 -3.293 33.002 1.00 14.87 0 A 1 +ATOM 215 C CZ2 . TRP A 1 28 ? 24.341 -5.078 31.453 1.00 12.28 0 A 1 +ATOM 216 C CZ3 . TRP A 1 28 ? 26.759 -5.209 31.426 1.00 14.88 0 A 1 +ATOM 217 C CH2 . TRP A 1 28 ? 25.497 -5.650 30.991 1.00 14.09 0 A 1 +ATOM 218 N N . LYS A 1 29 ? 25.311 -1.615 37.337 1.00 18.25 0 A 1 +ATOM 219 C CA . LYS A 1 29 ? 24.219 -1.817 38.272 1.00 22.72 0 A 1 +ATOM 220 C C . LYS A 1 29 ? 22.915 -1.406 37.610 1.00 26.40 0 A 1 +ATOM 221 O O . LYS A 1 29 ? 22.855 -0.391 36.920 1.00 23.28 0 A 1 +ATOM 222 C CB . LYS A 1 29 ? 24.465 -0.976 39.529 1.00 30.34 0 A 1 +ATOM 223 C CG . LYS A 1 29 ? 23.266 -0.813 40.449 1.00 43.32 0 A 1 +ATOM 224 C CD . LYS A 1 29 ? 22.942 -2.085 41.219 1.00 54.54 0 A 1 +ATOM 225 C CE . LYS A 1 29 ? 21.690 -1.893 42.070 1.00 60.40 0 A 1 +ATOM 226 N NZ . LYS A 1 29 ? 21.792 -0.670 42.925 1.00 63.78 0 A 1 +ATOM 227 N N . GLU A 1 30 ? 21.883 -2.220 37.792 1.00 28.16 0 A 1 +ATOM 228 C CA . GLU A 1 30 ? 20.575 -1.930 37.229 1.00 21.35 0 A 1 +ATOM 229 C C . GLU A 1 30 ? 19.651 -1.439 38.332 1.00 25.95 0 A 1 +ATOM 230 O O . GLU A 1 30 ? 19.456 -2.119 39.339 1.00 27.35 0 A 1 +ATOM 231 C CB . GLU A 1 30 ? 19.971 -3.182 36.581 1.00 21.62 0 A 1 +ATOM 232 C CG . GLU A 1 30 ? 20.635 -3.620 35.278 1.00 22.40 0 A 1 +ATOM 233 C CD . GLU A 1 30 ? 20.113 -2.894 34.036 1.00 19.47 0 A 1 +ATOM 234 O OE1 . GLU A 1 30 ? 19.166 -2.081 34.132 1.00 23.49 0 A 1 +ATOM 235 O OE2 . GLU A 1 30 ? 20.642 -3.166 32.940 1.00 23.95 0 A 1 +ATOM 236 N N . GLU A 1 31 ? 19.141 -0.226 38.162 1.00 27.33 0 A 1 +ATOM 237 C CA . GLU A 1 31 ? 18.212 0.369 39.109 1.00 27.44 0 A 1 +ATOM 238 C C . GLU A 1 31 ? 16.875 0.323 38.411 1.00 26.43 0 A 1 +ATOM 239 O O . GLU A 1 31 ? 16.590 1.143 37.543 1.00 26.83 0 A 1 +ATOM 240 C CB . GLU A 1 31 ? 18.600 1.815 39.412 1.00 34.21 0 A 1 +ATOM 241 C CG . GLU A 1 31 ? 19.672 1.960 40.474 1.00 45.46 0 A 1 +ATOM 242 C CD . GLU A 1 31 ? 19.149 1.662 41.865 1.00 52.18 0 A 1 +ATOM 243 O OE1 . GLU A 1 31 ? 19.103 0.473 42.253 1.00 58.42 0 A 1 +ATOM 244 O OE2 . GLU A 1 31 ? 18.780 2.623 42.572 1.00 63.82 0 A 1 +ATOM 245 N N . VAL A 1 32 ? 16.074 -0.675 38.753 1.00 27.52 0 A 1 +ATOM 246 C CA . VAL A 1 32 ? 14.771 -0.841 38.132 1.00 27.08 0 A 1 +ATOM 247 C C . VAL A 1 32 ? 13.711 0.081 38.711 1.00 31.93 0 A 1 +ATOM 248 O O . VAL A 1 32 ? 13.533 0.168 39.922 1.00 33.19 0 A 1 +ATOM 249 C CB . VAL A 1 32 ? 14.290 -2.303 38.222 1.00 26.16 0 A 1 +ATOM 250 C CG1 . VAL A 1 32 ? 12.968 -2.469 37.496 1.00 17.94 0 A 1 +ATOM 251 C CG2 . VAL A 1 32 ? 15.342 -3.230 37.632 1.00 18.82 0 A 1 +ATOM 252 N N . VAL A 1 33 ? 13.021 0.782 37.821 1.00 30.78 0 A 1 +ATOM 253 C CA . VAL A 1 33 ? 11.956 1.693 38.197 1.00 27.34 0 A 1 +ATOM 254 C C . VAL A 1 33 ? 10.673 1.115 37.629 1.00 29.88 0 A 1 +ATOM 255 O O . VAL A 1 33 ? 10.568 0.885 36.422 1.00 30.38 0 A 1 +ATOM 256 C CB . VAL A 1 33 ? 12.180 3.106 37.603 1.00 24.70 0 A 1 +ATOM 257 C CG1 . VAL A 1 33 ? 10.984 4.002 37.892 1.00 19.75 0 A 1 +ATOM 258 C CG2 . VAL A 1 33 ? 13.446 3.720 38.172 1.00 23.49 0 A 1 +ATOM 259 N N . THR A 1 34 ? 9.713 0.850 38.506 1.00 33.84 0 A 1 +ATOM 260 C CA . THR A 1 34 ? 8.429 0.298 38.090 1.00 38.76 0 A 1 +ATOM 261 C C . THR A 1 34 ? 7.491 1.426 37.669 1.00 38.33 0 A 1 +ATOM 262 O O . THR A 1 34 ? 7.734 2.591 37.983 1.00 34.11 0 A 1 +ATOM 263 C CB . THR A 1 34 ? 7.770 -0.500 39.231 1.00 40.00 0 A 1 +ATOM 264 C CG2 . THR A 1 34 ? 8.716 -1.576 39.739 1.00 43.99 0 A 1 +ATOM 265 O OG1 . THR A 1 34 ? 7.449 0.386 40.311 1.00 47.23 0 A 1 +ATOM 266 N N . VAL A 1 35 ? 6.421 1.072 36.961 1.00 44.47 0 A 1 +ATOM 267 C CA . VAL A 1 35 ? 5.430 2.046 36.503 1.00 51.24 0 A 1 +ATOM 268 C C . VAL A 1 35 ? 4.763 2.744 37.696 1.00 52.85 0 A 1 +ATOM 269 O O . VAL A 1 35 ? 4.352 3.900 37.599 1.00 49.57 0 A 1 +ATOM 270 C CB . VAL A 1 35 ? 4.345 1.367 35.624 1.00 54.76 0 A 1 +ATOM 271 C CG1 . VAL A 1 35 ? 3.464 0.436 36.471 1.00 56.65 0 A 1 +ATOM 272 C CG2 . VAL A 1 35 ? 3.508 2.415 34.905 1.00 59.30 0 A 1 +ATOM 273 N N . GLU A 1 36 ? 4.677 2.035 38.820 1.00 55.74 0 A 1 +ATOM 274 C CA . GLU A 1 36 ? 4.078 2.572 40.039 1.00 59.48 0 A 1 +ATOM 275 C C . GLU A 1 36 ? 4.960 3.681 40.599 1.00 56.13 0 A 1 +ATOM 276 O O . GLU A 1 36 ? 4.495 4.800 40.823 1.00 56.46 0 A 1 +ATOM 277 C CB . GLU A 1 36 ? 3.948 1.473 41.092 1.00 67.77 0 A 1 +ATOM 278 C CG . GLU A 1 36 ? 3.445 0.142 40.565 1.00 76.47 0 A 1 +ATOM 279 C CD . GLU A 1 36 ? 4.198 -1.038 41.164 1.00 82.46 0 A 1 +ATOM 280 O OE1 . GLU A 1 36 ? 4.757 -0.902 42.277 1.00 85.41 0 A 1 +ATOM 281 O OE2 . GLU A 1 36 ? 4.238 -2.105 40.518 1.00 85.68 0 A 1 +ATOM 282 N N . THR A 1 37 ? 6.232 3.355 40.828 1.00 51.46 0 A 1 +ATOM 283 C CA . THR A 1 37 ? 7.204 4.305 41.364 1.00 45.60 0 A 1 +ATOM 284 C C . THR A 1 37 ? 7.276 5.562 40.490 1.00 44.79 0 A 1 +ATOM 285 O O . THR A 1 37 ? 7.340 6.681 41.003 1.00 45.62 0 A 1 +ATOM 286 C CB . THR A 1 37 ? 8.615 3.672 41.447 1.00 44.50 0 A 1 +ATOM 287 C CG2 . THR A 1 37 ? 9.544 4.536 42.290 1.00 37.84 0 A 1 +ATOM 288 O OG1 . THR A 1 37 ? 8.528 2.371 42.040 1.00 41.82 0 A 1 +ATOM 289 N N . TRP A 1 38 ? 7.239 5.364 39.172 1.00 40.28 0 A 1 +ATOM 290 C CA . TRP A 1 38 ? 7.305 6.459 38.203 1.00 40.08 0 A 1 +ATOM 291 C C . TRP A 1 38 ? 6.096 7.393 38.300 1.00 47.98 0 A 1 +ATOM 292 O O . TRP A 1 38 ? 6.249 8.617 38.278 1.00 49.08 0 A 1 +ATOM 293 C CB . TRP A 1 38 ? 7.428 5.896 36.780 1.00 31.25 0 A 1 +ATOM 294 C CG . TRP A 1 38 ? 7.661 6.931 35.701 1.00 30.98 0 A 1 +ATOM 295 C CD1 . TRP A 1 38 ? 6.790 7.298 34.715 1.00 30.41 0 A 1 +ATOM 296 C CD2 . TRP A 1 38 ? 8.859 7.693 35.485 1.00 26.47 0 A 1 +ATOM 297 C CE2 . TRP A 1 38 ? 8.638 8.498 34.344 1.00 26.96 0 A 1 +ATOM 298 C CE3 . TRP A 1 38 ? 10.097 7.773 36.138 1.00 22.72 0 A 1 +ATOM 299 N NE1 . TRP A 1 38 ? 7.369 8.235 33.897 1.00 28.08 0 A 1 +ATOM 300 C CZ2 . TRP A 1 38 ? 9.611 9.372 33.842 1.00 20.94 0 A 1 +ATOM 301 C CZ3 . TRP A 1 38 ? 11.065 8.641 35.639 1.00 20.39 0 A 1 +ATOM 302 C CH2 . TRP A 1 38 ? 10.813 9.429 34.501 1.00 19.14 0 A 1 +ATOM 303 N N . GLN A 1 39 ? 4.902 6.813 38.421 1.00 52.93 0 A 1 +ATOM 304 C CA . GLN A 1 39 ? 3.676 7.599 38.523 1.00 54.31 0 A 1 +ATOM 305 C C . GLN A 1 39 ? 3.551 8.367 39.836 1.00 55.37 0 A 1 +ATOM 306 O O . GLN A 1 39 ? 2.690 9.236 39.972 1.00 58.81 0 A 1 +ATOM 307 C CB . GLN A 1 39 ? 2.456 6.715 38.288 1.00 53.82 0 A 1 +ATOM 308 C CG . GLN A 1 39 ? 2.354 6.233 36.850 1.00 57.70 0 A 1 +ATOM 309 C CD . GLN A 1 39 ? 1.292 5.173 36.648 1.00 62.90 0 A 1 +ATOM 310 N NE2 . GLN A 1 39 ? 0.943 4.922 35.392 1.00 61.57 0 A 1 +ATOM 311 O OE1 . GLN A 1 39 ? 0.797 4.578 37.607 1.00 64.12 0 A 1 +ATOM 312 N N . GLU A 1 40 ? 4.421 8.053 40.795 1.00 55.83 0 A 1 +ATOM 313 C CA . GLU A 1 40 ? 4.428 8.743 42.080 1.00 56.23 0 A 1 +ATOM 314 C C . GLU A 1 40 ? 4.853 10.200 41.834 1.00 55.90 0 A 1 +ATOM 315 O O . GLU A 1 40 ? 4.470 11.100 42.581 1.00 57.28 0 A 1 +ATOM 316 C CB . GLU A 1 40 ? 5.373 8.031 43.054 1.00 54.56 0 A 1 +ATOM 317 C CG . GLU A 1 40 ? 5.412 8.617 44.451 1.00 56.26 0 A 1 +ATOM 318 C CD . GLU A 1 40 ? 6.628 9.486 44.674 1.00 59.52 0 A 1 +ATOM 319 O OE1 . GLU A 1 40 ? 7.700 8.924 44.984 1.00 63.51 0 A 1 +ATOM 320 O OE2 . GLU A 1 40 ? 6.517 10.723 44.528 1.00 64.99 0 A 1 +ATOM 321 N N . GLY A 1 41 ? 5.649 10.415 40.783 1.00 53.72 0 A 1 +ATOM 322 C CA . GLY A 1 41 ? 6.069 11.757 40.415 1.00 50.20 0 A 1 +ATOM 323 C C . GLY A 1 41 ? 7.438 12.310 40.773 1.00 47.39 0 A 1 +ATOM 324 O O . GLY A 1 41 ? 8.028 13.035 39.974 1.00 47.83 0 A 1 +ATOM 325 N N . SER A 1 42 ? 7.949 11.983 41.955 1.00 47.38 0 A 1 +ATOM 326 C CA . SER A 1 42 ? 9.241 12.506 42.405 1.00 48.92 0 A 1 +ATOM 327 C C . SER A 1 42 ? 10.445 12.287 41.484 1.00 44.77 0 A 1 +ATOM 328 O O . SER A 1 42 ? 11.182 13.233 41.205 1.00 45.99 0 A 1 +ATOM 329 C CB . SER A 1 42 ? 9.560 12.000 43.812 1.00 52.32 0 A 1 +ATOM 330 O OG . SER A 1 42 ? 9.633 10.588 43.833 1.00 58.12 0 A 1 +ATOM 331 N N . LEU A 1 43 ? 10.649 11.053 41.023 1.00 42.84 0 A 1 +ATOM 332 C CA . LEU A 1 43 ? 11.777 10.738 40.141 1.00 39.02 0 A 1 +ATOM 333 C C . LEU A 1 43 ? 11.672 11.474 38.803 1.00 32.41 0 A 1 +ATOM 334 O O . LEU A 1 43 ? 12.646 12.074 38.344 1.00 32.28 0 A 1 +ATOM 335 C CB . LEU A 1 43 ? 11.865 9.229 39.883 1.00 40.03 0 A 1 +ATOM 336 C CG . LEU A 1 43 ? 13.242 8.567 39.694 1.00 41.34 0 A 1 +ATOM 337 C CD1 . LEU A 1 43 ? 13.109 7.457 38.677 1.00 42.89 0 A 1 +ATOM 338 C CD2 . LEU A 1 43 ? 14.315 9.549 39.246 1.00 40.07 0 A 1 +ATOM 339 N N . LYS A 1 44 ? 10.494 11.415 38.184 1.00 27.63 0 A 1 +ATOM 340 C CA . LYS A 1 44 ? 10.247 12.071 36.901 1.00 31.13 0 A 1 +ATOM 341 C C . LYS A 1 44 ? 10.612 13.551 36.969 1.00 32.68 0 A 1 +ATOM 342 O O . LYS A 1 44 ? 11.250 14.086 36.062 1.00 26.79 0 A 1 +ATOM 343 C CB . LYS A 1 44 ? 8.775 11.939 36.516 1.00 29.67 0 A 1 +ATOM 344 C CG . LYS A 1 44 ? 8.460 12.409 35.105 1.00 31.53 0 A 1 +ATOM 345 C CD . LYS A 1 44 ? 6.964 12.558 34.887 1.00 27.37 0 A 1 +ATOM 346 C CE . LYS A 1 44 ? 6.572 12.269 33.444 1.00 34.09 0 A 1 +ATOM 347 N NZ . LYS A 1 44 ? 7.455 12.940 32.449 1.00 23.30 0 A 1 +ATOM 348 N N . ALA A 1 45 ? 10.226 14.189 38.071 1.00 35.90 0 A 1 +ATOM 349 C CA . ALA A 1 45 ? 10.485 15.604 38.295 1.00 34.20 0 A 1 +ATOM 350 C C . ALA A 1 45 ? 11.972 15.932 38.382 1.00 31.91 0 A 1 +ATOM 351 O O . ALA A 1 45 ? 12.385 17.032 38.017 1.00 35.00 0 A 1 +ATOM 352 C CB . ALA A 1 45 ? 9.769 16.070 39.554 1.00 39.21 0 A 1 +ATOM 353 N N . SER A 1 46 ? 12.772 14.989 38.874 1.00 30.04 0 A 1 +ATOM 354 C CA . SER A 1 46 ? 14.214 15.203 38.996 1.00 26.69 0 A 1 +ATOM 355 C C . SER A 1 46 ? 14.982 14.889 37.710 1.00 21.42 0 A 1 +ATOM 356 O O . SER A 1 46 ? 16.181 15.164 37.620 1.00 19.15 0 A 1 +ATOM 357 C CB . SER A 1 46 ? 14.785 14.382 40.150 1.00 24.78 0 A 1 +ATOM 358 O OG . SER A 1 46 ? 14.561 12.999 39.945 1.00 30.49 0 A 1 +ATOM 359 N N . CYS A 1 47 ? 14.304 14.271 36.742 1.00 17.89 0 A 1 +ATOM 360 C CA . CYS A 1 47 ? 14.919 13.937 35.454 1.00 18.12 0 A 1 +ATOM 361 C C . CYS A 1 47 ? 14.912 15.173 34.559 1.00 24.60 0 A 1 +ATOM 362 O O . CYS A 1 47 ? 13.866 15.806 34.386 1.00 18.53 0 A 1 +ATOM 363 C CB . CYS A 1 47 ? 14.152 12.808 34.760 1.00 22.03 0 A 1 +ATOM 364 S SG . CYS A 1 47 ? 14.304 11.197 35.554 1.00 18.70 0 A 1 +ATOM 365 N N . LEU A 1 48 ? 16.067 15.487 33.971 1.00 24.40 0 A 1 +ATOM 366 C CA . LEU A 1 48 ? 16.221 16.659 33.103 1.00 23.56 0 A 1 +ATOM 367 C C . LEU A 1 48 ? 15.094 16.874 32.084 1.00 27.30 0 A 1 +ATOM 368 O O . LEU A 1 48 ? 14.545 17.971 31.989 1.00 22.64 0 A 1 +ATOM 369 C CB . LEU A 1 48 ? 17.572 16.613 32.388 1.00 21.53 0 A 1 +ATOM 370 C CG . LEU A 1 48 ? 17.905 17.809 31.494 1.00 22.09 0 A 1 +ATOM 371 C CD1 . LEU A 1 48 ? 17.888 19.098 32.309 1.00 17.28 0 A 1 +ATOM 372 C CD2 . LEU A 1 48 ? 19.263 17.598 30.853 1.00 20.84 0 A 1 +ATOM 373 N N . TYR A 1 49 ? 14.754 15.834 31.326 1.00 27.07 0 A 1 +ATOM 374 C CA . TYR A 1 49 ? 13.688 15.931 30.332 1.00 19.61 0 A 1 +ATOM 375 C C . TYR A 1 49 ? 12.441 15.158 30.766 1.00 22.54 0 A 1 +ATOM 376 O O . TYR A 1 49 ? 11.530 14.928 29.961 1.00 25.71 0 A 1 +ATOM 377 C CB . TYR A 1 49 ? 14.175 15.426 28.970 1.00 11.29 0 A 1 +ATOM 378 C CG . TYR A 1 49 ? 15.371 16.179 28.427 1.00 14.21 0 A 1 +ATOM 379 C CD1 . TYR A 1 49 ? 15.281 17.531 28.084 1.00 13.87 0 A 1 +ATOM 380 C CD2 . TYR A 1 49 ? 16.596 15.538 28.252 1.00 8.76 0 A 1 +ATOM 381 C CE1 . TYR A 1 49 ? 16.391 18.223 27.578 1.00 16.10 0 A 1 +ATOM 382 C CE2 . TYR A 1 49 ? 17.707 16.215 27.748 1.00 12.58 0 A 1 +ATOM 383 C CZ . TYR A 1 49 ? 17.599 17.555 27.413 1.00 17.84 0 A 1 +ATOM 384 O OH . TYR A 1 49 ? 18.697 18.217 26.906 1.00 23.88 0 A 1 +ATOM 385 N N . GLY A 1 50 ? 12.413 14.771 32.043 1.00 23.21 0 A 1 +ATOM 386 C CA . GLY A 1 50 ? 11.288 14.033 32.598 1.00 24.88 0 A 1 +ATOM 387 C C . GLY A 1 50 ? 11.147 12.622 32.061 1.00 25.30 0 A 1 +ATOM 388 O O . GLY A 1 50 ? 10.043 12.068 32.051 1.00 24.60 0 A 1 +ATOM 389 N N . GLN A 1 51 ? 12.254 12.036 31.608 1.00 23.03 0 A 1 +ATOM 390 C CA . GLN A 1 51 ? 12.215 10.686 31.059 1.00 20.94 0 A 1 +ATOM 391 C C . GLN A 1 51 ? 13.437 9.843 31.405 1.00 20.93 0 A 1 +ATOM 392 O O . GLN A 1 51 ? 14.458 10.358 31.865 1.00 19.15 0 A 1 +ATOM 393 C CB . GLN A 1 51 ? 12.079 10.738 29.534 1.00 17.49 0 A 1 +ATOM 394 C CG . GLN A 1 51 ? 10.789 11.340 29.017 1.00 22.63 0 A 1 +ATOM 395 C CD . GLN A 1 51 ? 10.609 11.132 27.529 1.00 22.92 0 A 1 +ATOM 396 N NE2 . GLN A 1 51 ? 11.640 11.452 26.758 1.00 26.01 0 A 1 +ATOM 397 O OE1 . GLN A 1 51 ? 9.567 10.663 27.080 1.00 30.18 0 A 1 +ATOM 398 N N . LEU A 1 52 ? 13.300 8.535 31.194 1.00 24.66 0 A 1 +ATOM 399 C CA . LEU A 1 52 ? 14.378 7.575 31.417 1.00 14.22 0 A 1 +ATOM 400 C C . LEU A 1 52 ? 14.744 7.029 30.028 1.00 18.03 0 A 1 +ATOM 401 O O . LEU A 1 52 ? 13.942 7.114 29.101 1.00 17.87 0 A 1 +ATOM 402 C CB . LEU A 1 52 ? 13.906 6.449 32.346 1.00 15.86 0 A 1 +ATOM 403 C CG . LEU A 1 52 ? 13.559 6.853 33.787 1.00 18.44 0 A 1 +ATOM 404 C CD1 . LEU A 1 52 ? 13.012 5.654 34.554 1.00 16.72 0 A 1 +ATOM 405 C CD2 . LEU A 1 52 ? 14.787 7.422 34.491 1.00 16.45 0 A 1 +ATOM 406 N N . PRO A 1 53 ? 15.916 6.393 29.879 1.00 18.70 0 A 1 +ATOM 407 C CA . PRO A 1 53 ? 16.958 6.104 30.868 1.00 19.18 0 A 1 +ATOM 408 C C . PRO A 1 53 ? 17.741 7.269 31.463 1.00 22.97 0 A 1 +ATOM 409 O O . PRO A 1 53 ? 17.821 8.365 30.900 1.00 21.82 0 A 1 +ATOM 410 C CB . PRO A 1 53 ? 17.899 5.173 30.101 1.00 15.73 0 A 1 +ATOM 411 C CG . PRO A 1 53 ? 17.827 5.716 28.710 1.00 12.31 0 A 1 +ATOM 412 C CD . PRO A 1 53 ? 16.329 5.916 28.543 1.00 17.51 0 A 1 +ATOM 413 N N . LYS A 1 54 ? 18.298 6.988 32.634 1.00 16.55 0 A 1 +ATOM 414 C CA . LYS A 1 54 ? 19.153 7.896 33.370 1.00 13.11 0 A 1 +ATOM 415 C C . LYS A 1 54 ? 20.388 7.017 33.525 1.00 12.48 0 A 1 +ATOM 416 O O . LYS A 1 54 ? 20.275 5.817 33.763 1.00 15.43 0 A 1 +ATOM 417 C CB . LYS A 1 54 ? 18.557 8.225 34.736 1.00 8.45 0 A 1 +ATOM 418 C CG . LYS A 1 54 ? 19.461 9.088 35.602 1.00 16.35 0 A 1 +ATOM 419 C CD . LYS A 1 54 ? 18.866 9.289 36.976 1.00 21.38 0 A 1 +ATOM 420 C CE . LYS A 1 54 ? 19.861 9.935 37.918 1.00 29.03 0 A 1 +ATOM 421 N NZ . LYS A 1 54 ? 19.290 10.038 39.285 1.00 32.77 0 A 1 +ATOM 422 N N . PHE A 1 55 ? 21.564 7.600 33.378 1.00 14.72 0 A 1 +ATOM 423 C CA . PHE A 1 55 ? 22.793 6.830 33.465 1.00 15.51 0 A 1 +ATOM 424 C C . PHE A 1 55 ? 23.797 7.525 34.363 1.00 16.16 0 A 1 +ATOM 425 O O . PHE A 1 55 ? 23.813 8.746 34.460 1.00 13.32 0 A 1 +ATOM 426 C CB . PHE A 1 55 ? 23.367 6.672 32.056 1.00 12.80 0 A 1 +ATOM 427 C CG . PHE A 1 55 ? 24.585 5.793 31.971 1.00 15.63 0 A 1 +ATOM 428 C CD1 . PHE A 1 55 ? 24.465 4.407 31.997 1.00 13.51 0 A 1 +ATOM 429 C CD2 . PHE A 1 55 ? 25.848 6.352 31.796 1.00 15.95 0 A 1 +ATOM 430 C CE1 . PHE A 1 55 ? 25.585 3.590 31.845 1.00 14.04 0 A 1 +ATOM 431 C CE2 . PHE A 1 55 ? 26.974 5.543 31.643 1.00 16.14 0 A 1 +ATOM 432 C CZ . PHE A 1 55 ? 26.840 4.160 31.667 1.00 14.88 0 A 1 +ATOM 433 N N . GLN A 1 56 ? 24.620 6.739 35.041 1.00 23.80 0 A 1 +ATOM 434 C CA . GLN A 1 56 ? 25.636 7.294 35.912 1.00 24.68 0 A 1 +ATOM 435 C C . GLN A 1 56 ? 26.976 6.626 35.693 1.00 22.65 0 A 1 +ATOM 436 O O . GLN A 1 56 ? 27.080 5.402 35.614 1.00 24.31 0 A 1 +ATOM 437 C CB . GLN A 1 56 ? 25.212 7.189 37.379 1.00 26.69 0 A 1 +ATOM 438 C CG . GLN A 1 56 ? 24.110 8.162 37.756 1.00 26.64 0 A 1 +ATOM 439 C CD . GLN A 1 56 ? 23.567 7.936 39.146 1.00 34.87 0 A 1 +ATOM 440 N NE2 . GLN A 1 56 ? 23.039 8.992 39.750 1.00 40.91 0 A 1 +ATOM 441 O OE1 . GLN A 1 56 ? 23.592 6.820 39.662 1.00 39.45 0 A 1 +ATOM 442 N N . ASP A 1 57 ? 27.985 7.462 35.507 1.00 19.91 0 A 1 +ATOM 443 C CA . ASP A 1 57 ? 29.354 7.026 35.324 1.00 20.55 0 A 1 +ATOM 444 C C . ASP A 1 57 ? 30.075 7.835 36.396 1.00 22.53 0 A 1 +ATOM 445 O O . ASP A 1 57 ? 30.418 8.994 36.180 1.00 27.33 0 A 1 +ATOM 446 C CB . ASP A 1 57 ? 29.844 7.403 33.925 1.00 21.74 0 A 1 +ATOM 447 C CG . ASP A 1 57 ? 31.292 7.016 33.683 1.00 27.52 0 A 1 +ATOM 448 O OD1 . ASP A 1 57 ? 31.934 6.448 34.592 1.00 34.81 0 A 1 +ATOM 449 O OD2 . ASP A 1 57 ? 31.802 7.305 32.583 1.00 24.61 0 A 1 +ATOM 450 N N . GLY A 1 58 ? 30.265 7.231 37.565 1.00 23.28 0 A 1 +ATOM 451 C CA . GLY A 1 58 ? 30.895 7.942 38.660 1.00 23.67 0 A 1 +ATOM 452 C C . GLY A 1 58 ? 29.869 8.974 39.091 1.00 23.13 0 A 1 +ATOM 453 O O . GLY A 1 58 ? 28.704 8.631 39.307 1.00 22.57 0 A 1 +ATOM 454 N N . ASP A 1 59 ? 30.265 10.240 39.167 1.00 24.58 0 A 1 +ATOM 455 C CA . ASP A 1 59 ? 29.319 11.280 39.556 1.00 24.16 0 A 1 +ATOM 456 C C . ASP A 1 59 ? 28.710 11.998 38.347 1.00 24.90 0 A 1 +ATOM 457 O O . ASP A 1 59 ? 27.966 12.967 38.505 1.00 29.87 0 A 1 +ATOM 458 C CB . ASP A 1 59 ? 29.950 12.273 40.545 1.00 22.42 0 A 1 +ATOM 459 C CG . ASP A 1 59 ? 30.968 13.201 39.901 1.00 24.20 0 A 1 +ATOM 460 O OD1 . ASP A 1 59 ? 31.544 12.862 38.847 1.00 27.29 0 A 1 +ATOM 461 O OD2 . ASP A 1 59 ? 31.192 14.287 40.472 1.00 29.42 0 A 1 +ATOM 462 N N . LEU A 1 60 ? 29.027 11.512 37.145 1.00 21.82 0 A 1 +ATOM 463 C CA . LEU A 1 60 ? 28.494 12.085 35.913 1.00 19.28 0 A 1 +ATOM 464 C C . LEU A 1 60 ? 27.126 11.457 35.671 1.00 19.01 0 A 1 +ATOM 465 O O . LEU A 1 60 ? 27.011 10.243 35.526 1.00 14.88 0 A 1 +ATOM 466 C CB . LEU A 1 60 ? 29.409 11.766 34.728 1.00 20.17 0 A 1 +ATOM 467 C CG . LEU A 1 60 ? 29.465 12.720 33.524 1.00 21.45 0 A 1 +ATOM 468 C CD1 . LEU A 1 60 ? 29.646 11.916 32.249 1.00 16.79 0 A 1 +ATOM 469 C CD2 . LEU A 1 60 ? 28.221 13.580 33.425 1.00 16.92 0 A 1 +ATOM 470 N N . THR A 1 61 ? 26.090 12.288 35.654 1.00 21.90 0 A 1 +ATOM 471 C CA . THR A 1 61 ? 24.728 11.824 35.426 1.00 20.64 0 A 1 +ATOM 472 C C . THR A 1 61 ? 24.315 12.239 34.018 1.00 20.73 0 A 1 +ATOM 473 O O . THR A 1 61 ? 24.400 13.412 33.662 1.00 23.04 0 A 1 +ATOM 474 C CB . THR A 1 61 ? 23.750 12.425 36.458 1.00 18.37 0 A 1 +ATOM 475 C CG2 . THR A 1 61 ? 22.324 11.965 36.189 1.00 13.76 0 A 1 +ATOM 476 O OG1 . THR A 1 61 ? 24.142 12.018 37.774 1.00 11.79 0 A 1 +ATOM 477 N N . LEU A 1 62 ? 23.876 11.266 33.226 1.00 19.85 0 A 1 +ATOM 478 C CA . LEU A 1 62 ? 23.472 11.496 31.843 1.00 15.59 0 A 1 +ATOM 479 C C . LEU A 1 62 ? 22.042 11.063 31.553 1.00 14.82 0 A 1 +ATOM 480 O O . LEU A 1 62 ? 21.476 10.226 32.251 1.00 18.00 0 A 1 +ATOM 481 C CB . LEU A 1 62 ? 24.410 10.730 30.899 1.00 8.32 0 A 1 +ATOM 482 C CG . LEU A 1 62 ? 25.628 11.376 30.228 1.00 13.88 0 A 1 +ATOM 483 C CD1 . LEU A 1 62 ? 25.999 12.710 30.841 1.00 11.63 0 A 1 +ATOM 484 C CD2 . LEU A 1 62 ? 26.794 10.404 30.272 1.00 11.52 0 A 1 +ATOM 485 N N . TYR A 1 63 ? 21.458 11.681 30.536 1.00 19.55 0 A 1 +ATOM 486 C CA . TYR A 1 63 ? 20.116 11.356 30.068 1.00 16.45 0 A 1 +ATOM 487 C C . TYR A 1 63 ? 20.251 11.221 28.550 1.00 15.51 0 A 1 +ATOM 488 O O . TYR A 1 63 ? 21.303 11.560 27.995 1.00 11.02 0 A 1 +ATOM 489 C CB . TYR A 1 63 ? 19.116 12.453 30.432 1.00 14.93 0 A 1 +ATOM 490 C CG . TYR A 1 63 ? 18.897 12.591 31.921 1.00 17.41 0 A 1 +ATOM 491 C CD1 . TYR A 1 63 ? 17.919 11.843 32.579 1.00 15.85 0 A 1 +ATOM 492 C CD2 . TYR A 1 63 ? 19.688 13.453 32.682 1.00 15.04 0 A 1 +ATOM 493 C CE1 . TYR A 1 63 ? 17.741 11.951 33.961 1.00 15.95 0 A 1 +ATOM 494 C CE2 . TYR A 1 63 ? 19.519 13.567 34.054 1.00 15.90 0 A 1 +ATOM 495 C CZ . TYR A 1 63 ? 18.548 12.814 34.688 1.00 16.84 0 A 1 +ATOM 496 O OH . TYR A 1 63 ? 18.403 12.911 36.051 1.00 18.82 0 A 1 +ATOM 497 N N . GLN A 1 64 ? 19.210 10.705 27.893 1.00 17.75 0 A 1 +ATOM 498 C CA . GLN A 1 64 ? 19.207 10.506 26.440 1.00 14.61 0 A 1 +ATOM 499 C C . GLN A 1 64 ? 20.039 9.271 26.079 1.00 14.20 0 A 1 +ATOM 500 O O . GLN A 1 64 ? 21.266 9.262 26.226 1.00 17.72 0 A 1 +ATOM 501 C CB . GLN A 1 64 ? 19.732 11.757 25.718 1.00 19.47 0 A 1 +ATOM 502 C CG . GLN A 1 64 ? 18.864 12.999 25.915 1.00 19.81 0 A 1 +ATOM 503 C CD . GLN A 1 64 ? 17.596 12.954 25.091 1.00 19.26 0 A 1 +ATOM 504 N NE2 . GLN A 1 64 ? 16.786 13.992 25.195 1.00 18.98 0 A 1 +ATOM 505 O OE1 . GLN A 1 64 ? 17.369 12.010 24.339 1.00 26.64 0 A 1 +ATOM 506 N N . SER A 1 65 ? 19.354 8.232 25.607 1.00 14.83 0 A 1 +ATOM 507 C CA . SER A 1 65 ? 19.990 6.965 25.253 1.00 12.57 0 A 1 +ATOM 508 C C . SER A 1 65 ? 21.186 7.099 24.315 1.00 12.63 0 A 1 +ATOM 509 O O . SER A 1 65 ? 22.228 6.480 24.552 1.00 18.50 0 A 1 +ATOM 510 C CB . SER A 1 65 ? 18.962 6.000 24.665 1.00 15.98 0 A 1 +ATOM 511 O OG . SER A 1 65 ? 18.347 6.550 23.517 1.00 12.18 0 A 1 +ATOM 512 N N . ASN A 1 66 ? 21.050 7.922 23.273 1.00 11.55 0 A 1 +ATOM 513 C CA . ASN A 1 66 ? 22.142 8.122 22.315 1.00 8.97 0 A 1 +ATOM 514 C C . ASN A 1 66 ? 23.332 8.882 22.895 1.00 9.97 0 A 1 +ATOM 515 O O . ASN A 1 66 ? 24.466 8.685 22.462 1.00 11.07 0 A 1 +ATOM 516 C CB . ASN A 1 66 ? 21.634 8.801 21.040 1.00 6.70 0 A 1 +ATOM 517 C CG . ASN A 1 66 ? 20.720 7.895 20.233 1.00 8.05 0 A 1 +ATOM 518 N ND2 . ASN A 1 66 ? 19.475 8.304 20.046 1.00 12.10 0 A 1 +ATOM 519 O OD1 . ASN A 1 66 ? 21.144 6.837 19.781 1.00 11.29 0 A 1 +ATOM 520 N N . THR A 1 67 ? 23.081 9.762 23.862 1.00 9.80 0 A 1 +ATOM 521 C CA . THR A 1 67 ? 24.164 10.497 24.511 1.00 13.59 0 A 1 +ATOM 522 C C . THR A 1 67 ? 24.961 9.464 25.313 1.00 9.73 0 A 1 +ATOM 523 O O . THR A 1 67 ? 26.188 9.489 25.338 1.00 11.77 0 A 1 +ATOM 524 C CB . THR A 1 67 ? 23.628 11.586 25.453 1.00 11.02 0 A 1 +ATOM 525 C CG2 . THR A 1 67 ? 24.737 12.150 26.313 1.00 9.87 0 A 1 +ATOM 526 O OG1 . THR A 1 67 ? 23.059 12.638 24.674 1.00 13.78 0 A 1 +ATOM 527 N N . ILE A 1 68 ? 24.243 8.537 25.943 1.00 9.52 0 A 1 +ATOM 528 C CA . ILE A 1 68 ? 24.864 7.475 26.724 1.00 11.43 0 A 1 +ATOM 529 C C . ILE A 1 68 ? 25.715 6.613 25.791 1.00 11.36 0 A 1 +ATOM 530 O O . ILE A 1 68 ? 26.866 6.311 26.106 1.00 9.50 0 A 1 +ATOM 531 C CB . ILE A 1 68 ? 23.793 6.616 27.436 1.00 10.14 0 A 1 +ATOM 532 C CG1 . ILE A 1 68 ? 22.972 7.505 28.374 1.00 5.09 0 A 1 +ATOM 533 C CG2 . ILE A 1 68 ? 24.449 5.488 28.217 1.00 7.03 0 A 1 +ATOM 534 C CD1 . ILE A 1 68 ? 21.649 6.904 28.789 1.00 10.92 0 A 1 +ATOM 535 N N . LEU A 1 69 ? 25.160 6.244 24.636 1.00 11.16 0 A 1 +ATOM 536 C CA . LEU A 1 69 ? 25.890 5.439 23.655 1.00 7.77 0 A 1 +ATOM 537 C C . LEU A 1 69 ? 27.159 6.151 23.193 1.00 8.23 0 A 1 +ATOM 538 O O . LEU A 1 69 ? 28.242 5.555 23.182 1.00 11.43 0 A 1 +ATOM 539 C CB . LEU A 1 69 ? 25.009 5.117 22.444 1.00 8.98 0 A 1 +ATOM 540 C CG . LEU A 1 69 ? 24.017 3.967 22.607 1.00 9.64 0 A 1 +ATOM 541 C CD1 . LEU A 1 69 ? 23.139 3.859 21.380 1.00 9.27 0 A 1 +ATOM 542 C CD2 . LEU A 1 69 ? 24.776 2.669 22.825 1.00 10.12 0 A 1 +ATOM 543 N N . ARG A 1 70 ? 27.034 7.436 22.857 1.00 13.36 0 A 1 +ATOM 544 C CA . ARG A 1 70 ? 28.183 8.215 22.397 1.00 10.47 0 A 1 +ATOM 545 C C . ARG A 1 70 ? 29.235 8.388 23.479 1.00 13.22 0 A 1 +ATOM 546 O O . ARG A 1 70 ? 30.434 8.364 23.196 1.00 13.44 0 A 1 +ATOM 547 C CB . ARG A 1 70 ? 27.743 9.572 21.846 1.00 14.96 0 A 1 +ATOM 548 C CG . ARG A 1 70 ? 27.052 9.453 20.506 1.00 13.07 0 A 1 +ATOM 549 C CD . ARG A 1 70 ? 26.774 10.795 19.854 1.00 10.66 0 A 1 +ATOM 550 N NE . ARG A 1 70 ? 26.441 10.597 18.447 1.00 10.95 0 A 1 +ATOM 551 C CZ . ARG A 1 70 ? 25.205 10.484 17.969 1.00 10.38 0 A 1 +ATOM 552 N NH1 . ARG A 1 70 ? 24.159 10.568 18.784 1.00 10.06 0 A 1 +ATOM 553 N NH2 . ARG A 1 70 ? 25.016 10.217 16.680 1.00 14.85 0 A 1 +ATOM 554 N N . HIS A 1 71 ? 28.782 8.527 24.721 1.00 10.90 0 A 1 +ATOM 555 C CA . HIS A 1 71 ? 29.689 8.682 25.850 1.00 15.78 0 A 1 +ATOM 556 C C . HIS A 1 71 ? 30.530 7.419 26.031 1.00 14.91 0 A 1 +ATOM 557 O O . HIS A 1 71 ? 31.750 7.487 26.199 1.00 20.99 0 A 1 +ATOM 558 C CB . HIS A 1 71 ? 28.904 8.974 27.125 1.00 14.34 0 A 1 +ATOM 559 C CG . HIS A 1 71 ? 29.754 8.985 28.353 1.00 16.78 0 A 1 +ATOM 560 C CD2 . HIS A 1 71 ? 29.774 8.167 29.431 1.00 14.12 0 A 1 +ATOM 561 N ND1 . HIS A 1 71 ? 30.773 9.893 28.542 1.00 15.41 0 A 1 +ATOM 562 C CE1 . HIS A 1 71 ? 31.389 9.633 29.681 1.00 11.19 0 A 1 +ATOM 563 N NE2 . HIS A 1 71 ? 30.800 8.591 30.241 1.00 8.94 0 A 1 +ATOM 564 N N . LEU A 1 72 ? 29.861 6.269 26.017 1.00 19.30 0 A 1 +ATOM 565 C CA . LEU A 1 72 ? 30.529 4.976 26.151 1.00 16.59 0 A 1 +ATOM 566 C C . LEU A 1 72 ? 31.444 4.720 24.950 1.00 18.30 0 A 1 +ATOM 567 O O . LEU A 1 72 ? 32.557 4.215 25.109 1.00 22.34 0 A 1 +ATOM 568 C CB . LEU A 1 72 ? 29.487 3.858 26.274 1.00 12.31 0 A 1 +ATOM 569 C CG . LEU A 1 72 ? 29.079 3.354 27.668 1.00 15.77 0 A 1 +ATOM 570 C CD1 . LEU A 1 72 ? 29.458 4.336 28.757 1.00 13.70 0 A 1 +ATOM 571 C CD2 . LEU A 1 72 ? 27.586 3.061 27.692 1.00 5.95 0 A 1 +ATOM 572 N N . GLY A 1 73 ? 30.986 5.098 23.757 1.00 18.73 0 A 1 +ATOM 573 C CA . GLY A 1 73 ? 31.785 4.909 22.557 1.00 18.87 0 A 1 +ATOM 574 C C . GLY A 1 73 ? 33.052 5.737 22.606 1.00 19.72 0 A 1 +ATOM 575 O O . GLY A 1 73 ? 34.115 5.308 22.169 1.00 18.68 0 A 1 +ATOM 576 N N . ARG A 1 74 ? 32.946 6.915 23.200 1.00 24.00 0 A 1 +ATOM 577 C CA . ARG A 1 74 ? 34.077 7.821 23.322 1.00 25.02 0 A 1 +ATOM 578 C C . ARG A 1 74 ? 35.078 7.358 24.384 1.00 22.13 0 A 1 +ATOM 579 O O . ARG A 1 74 ? 36.281 7.313 24.130 1.00 21.61 0 A 1 +ATOM 580 C CB . ARG A 1 74 ? 33.551 9.217 23.650 1.00 24.98 0 A 1 +ATOM 581 C CG . ARG A 1 74 ? 34.495 10.364 23.359 1.00 27.04 0 A 1 +ATOM 582 C CD . ARG A 1 74 ? 33.688 11.611 22.990 1.00 21.06 0 A 1 +ATOM 583 N NE . ARG A 1 74 ? 32.500 11.712 23.828 1.00 19.49 0 A 1 +ATOM 584 C CZ . ARG A 1 74 ? 31.296 12.067 23.399 1.00 15.40 0 A 1 +ATOM 585 N NH1 . ARG A 1 74 ? 31.099 12.383 22.127 1.00 13.72 0 A 1 +ATOM 586 N NH2 . ARG A 1 74 ? 30.266 12.022 24.234 1.00 15.09 0 A 1 +ATOM 587 N N . THR A 1 75 ? 34.578 6.983 25.560 1.00 15.87 0 A 1 +ATOM 588 C CA . THR A 1 75 ? 35.441 6.542 26.658 1.00 21.99 0 A 1 +ATOM 589 C C . THR A 1 75 ? 36.019 5.137 26.492 1.00 21.93 0 A 1 +ATOM 590 O O . THR A 1 75 ? 37.124 4.858 26.957 1.00 24.68 0 A 1 +ATOM 591 C CB . THR A 1 75 ? 34.714 6.627 28.022 1.00 25.11 0 A 1 +ATOM 592 C CG2 . THR A 1 75 ? 34.388 8.079 28.374 1.00 18.38 0 A 1 +ATOM 593 O OG1 . THR A 1 75 ? 33.496 5.877 27.965 1.00 27.41 0 A 1 +ATOM 594 N N . LEU A 1 76 ? 35.275 4.258 25.826 1.00 20.86 0 A 1 +ATOM 595 C CA . LEU A 1 76 ? 35.714 2.880 25.608 1.00 15.43 0 A 1 +ATOM 596 C C . LEU A 1 76 ? 36.415 2.637 24.270 1.00 17.86 0 A 1 +ATOM 597 O O . LEU A 1 76 ? 36.886 1.531 24.008 1.00 20.78 0 A 1 +ATOM 598 C CB . LEU A 1 76 ? 34.533 1.921 25.761 1.00 15.27 0 A 1 +ATOM 599 C CG . LEU A 1 76 ? 34.257 1.322 27.141 1.00 12.36 0 A 1 +ATOM 600 C CD1 . LEU A 1 76 ? 34.700 2.254 28.253 1.00 13.14 0 A 1 +ATOM 601 C CD2 . LEU A 1 76 ? 32.779 0.986 27.255 1.00 10.91 0 A 1 +ATOM 602 N N . GLY A 1 77 ? 36.477 3.663 23.426 1.00 20.45 0 A 1 +ATOM 603 C CA . GLY A 1 77 ? 37.136 3.529 22.136 1.00 20.48 0 A 1 +ATOM 604 C C . GLY A 1 77 ? 36.347 2.799 21.057 1.00 19.41 0 A 1 +ATOM 605 O O . GLY A 1 77 ? 36.911 2.017 20.290 1.00 17.05 0 A 1 +ATOM 606 N N . LEU A 1 78 ? 35.043 3.050 21.004 1.00 16.20 0 A 1 +ATOM 607 C CA . LEU A 1 78 ? 34.157 2.437 20.017 1.00 12.76 0 A 1 +ATOM 608 C C . LEU A 1 78 ? 33.549 3.548 19.152 1.00 14.52 0 A 1 +ATOM 609 O O . LEU A 1 78 ? 32.349 3.542 18.875 1.00 10.30 0 A 1 +ATOM 610 C CB . LEU A 1 78 ? 33.033 1.677 20.731 1.00 12.99 0 A 1 +ATOM 611 C CG . LEU A 1 78 ? 33.385 0.763 21.909 1.00 13.16 0 A 1 +ATOM 612 C CD1 . LEU A 1 78 ? 32.114 0.167 22.472 1.00 14.45 0 A 1 +ATOM 613 C CD2 . LEU A 1 78 ? 34.336 -0.335 21.467 1.00 12.31 0 A 1 +ATOM 614 N N . TYR A 1 79 ? 34.393 4.469 18.693 1.00 18.32 0 A 1 +ATOM 615 C CA . TYR A 1 79 ? 33.939 5.612 17.899 1.00 19.08 0 A 1 +ATOM 616 C C . TYR A 1 79 ? 34.769 5.849 16.627 1.00 22.41 0 A 1 +ATOM 617 O O . TYR A 1 79 ? 34.968 6.994 16.214 1.00 24.01 0 A 1 +ATOM 618 C CB . TYR A 1 79 ? 33.999 6.862 18.789 1.00 12.16 0 A 1 +ATOM 619 C CG . TYR A 1 79 ? 32.852 7.830 18.629 1.00 11.30 0 A 1 +ATOM 620 C CD1 . TYR A 1 79 ? 32.340 8.145 17.368 1.00 10.27 0 A 1 +ATOM 621 C CD2 . TYR A 1 79 ? 32.280 8.442 19.746 1.00 10.23 0 A 1 +ATOM 622 C CE1 . TYR A 1 79 ? 31.290 9.044 17.220 1.00 11.01 0 A 1 +ATOM 623 C CE2 . TYR A 1 79 ? 31.227 9.342 19.613 1.00 6.64 0 A 1 +ATOM 624 C CZ . TYR A 1 79 ? 30.737 9.636 18.348 1.00 10.33 0 A 1 +ATOM 625 O OH . TYR A 1 79 ? 29.678 10.501 18.215 1.00 15.00 0 A 1 +ATOM 626 N N . GLY A 1 80 ? 35.227 4.770 15.998 1.00 20.27 0 A 1 +ATOM 627 C CA . GLY A 1 80 ? 36.034 4.887 14.792 1.00 16.38 0 A 1 +ATOM 628 C C . GLY A 1 80 ? 37.505 5.119 15.093 1.00 19.16 0 A 1 +ATOM 629 O O . GLY A 1 80 ? 37.863 5.471 16.216 1.00 18.11 0 A 1 +ATOM 630 N N . LYS A 1 81 ? 38.362 4.948 14.091 1.00 23.65 0 A 1 +ATOM 631 C CA . LYS A 1 81 ? 39.796 5.138 14.284 1.00 27.37 0 A 1 +ATOM 632 C C . LYS A 1 81 ? 40.212 6.598 14.102 1.00 24.21 0 A 1 +ATOM 633 O O . LYS A 1 81 ? 41.284 7.003 14.552 1.00 26.19 0 A 1 +ATOM 634 C CB . LYS A 1 81 ? 40.596 4.233 13.342 1.00 26.88 0 A 1 +ATOM 635 C CG . LYS A 1 81 ? 40.530 4.637 11.884 1.00 32.77 0 A 1 +ATOM 636 C CD . LYS A 1 81 ? 41.422 3.755 11.026 1.00 34.84 0 A 1 +ATOM 637 C CE . LYS A 1 81 ? 41.602 4.351 9.636 1.00 39.59 0 A 1 +ATOM 638 N NZ . LYS A 1 81 ? 40.302 4.551 8.932 1.00 53.83 0 A 1 +ATOM 639 N N . ASP A 1 82 ? 39.365 7.385 13.440 1.00 27.53 0 A 1 +ATOM 640 C CA . ASP A 1 82 ? 39.653 8.801 13.217 1.00 26.59 0 A 1 +ATOM 641 C C . ASP A 1 82 ? 38.375 9.620 13.058 1.00 23.41 0 A 1 +ATOM 642 O O . ASP A 1 82 ? 37.273 9.077 13.162 1.00 27.26 0 A 1 +ATOM 643 C CB . ASP A 1 82 ? 40.592 8.991 12.014 1.00 26.30 0 A 1 +ATOM 644 C CG . ASP A 1 82 ? 40.061 8.359 10.727 1.00 23.89 0 A 1 +ATOM 645 O OD1 . ASP A 1 82 ? 38.830 8.305 10.521 1.00 28.62 0 A 1 +ATOM 646 O OD2 . ASP A 1 82 ? 40.893 7.928 9.899 1.00 31.21 0 A 1 +ATOM 647 N N . GLN A 1 83 ? 38.520 10.916 12.787 1.00 18.01 0 A 1 +ATOM 648 C CA . GLN A 1 83 ? 37.363 11.800 12.634 1.00 23.83 0 A 1 +ATOM 649 C C . GLN A 1 83 ? 36.439 11.419 11.493 1.00 22.28 0 A 1 +ATOM 650 O O . GLN A 1 83 ? 35.218 11.519 11.621 1.00 22.68 0 A 1 +ATOM 651 C CB . GLN A 1 83 ? 37.800 13.254 12.480 1.00 26.61 0 A 1 +ATOM 652 C CG . GLN A 1 83 ? 38.391 13.863 13.739 1.00 27.18 0 A 1 +ATOM 653 C CD . GLN A 1 83 ? 38.797 15.314 13.549 1.00 33.40 0 A 1 +ATOM 654 N NE2 . GLN A 1 83 ? 39.201 15.667 12.330 1.00 37.74 0 A 1 +ATOM 655 O OE1 . GLN A 1 83 ? 38.739 16.112 14.488 1.00 27.84 0 A 1 +ATOM 656 N N . GLN A 1 84 ? 37.017 10.983 10.379 1.00 22.31 0 A 1 +ATOM 657 C CA . GLN A 1 84 ? 36.213 10.583 9.231 1.00 27.04 0 A 1 +ATOM 658 C C . GLN A 1 84 ? 35.293 9.425 9.614 1.00 23.86 0 A 1 +ATOM 659 O O . GLN A 1 84 ? 34.089 9.466 9.338 1.00 21.39 0 A 1 +ATOM 660 C CB . GLN A 1 84 ? 37.102 10.188 8.048 1.00 31.00 0 A 1 +ATOM 661 C CG . GLN A 1 84 ? 36.307 9.704 6.836 1.00 40.65 0 A 1 +ATOM 662 C CD . GLN A 1 84 ? 37.162 9.503 5.597 1.00 48.02 0 A 1 +ATOM 663 N NE2 . GLN A 1 84 ? 36.938 8.392 4.895 1.00 52.71 0 A 1 +ATOM 664 O OE1 . GLN A 1 84 ? 37.992 10.348 5.256 1.00 55.36 0 A 1 +ATOM 665 N N . GLU A 1 85 ? 35.860 8.413 10.273 1.00 20.99 0 A 1 +ATOM 666 C CA . GLU A 1 85 ? 35.083 7.255 10.709 1.00 18.63 0 A 1 +ATOM 667 C C . GLU A 1 85 ? 34.068 7.668 11.764 1.00 16.42 0 A 1 +ATOM 668 O O . GLU A 1 85 ? 32.944 7.169 11.765 1.00 16.75 0 A 1 +ATOM 669 C CB . GLU A 1 85 ? 35.984 6.148 11.258 1.00 20.21 0 A 1 +ATOM 670 C CG . GLU A 1 85 ? 36.903 5.533 10.221 1.00 21.72 0 A 1 +ATOM 671 C CD . GLU A 1 85 ? 37.334 4.115 10.564 1.00 23.07 0 A 1 +ATOM 672 O OE1 . GLU A 1 85 ? 37.249 3.715 11.744 1.00 19.01 0 A 1 +ATOM 673 O OE2 . GLU A 1 85 ? 37.768 3.393 9.641 1.00 26.83 0 A 1 +ATOM 674 N N . ALA A 1 86 ? 34.461 8.591 12.644 1.00 15.18 0 A 1 +ATOM 675 C CA . ALA A 1 86 ? 33.578 9.090 13.699 1.00 15.43 0 A 1 +ATOM 676 C C . ALA A 1 86 ? 32.331 9.705 13.078 1.00 12.49 0 A 1 +ATOM 677 O O . ALA A 1 86 ? 31.220 9.502 13.569 1.00 13.15 0 A 1 +ATOM 678 C CB . ALA A 1 86 ? 34.301 10.118 14.548 1.00 12.72 0 A 1 +ATOM 679 N N . ALA A 1 87 ? 32.518 10.435 11.981 1.00 11.17 0 A 1 +ATOM 680 C CA . ALA A 1 87 ? 31.406 11.066 11.279 1.00 14.12 0 A 1 +ATOM 681 C C . ALA A 1 87 ? 30.487 10.006 10.668 1.00 12.81 0 A 1 +ATOM 682 O O . ALA A 1 87 ? 29.262 10.136 10.708 1.00 13.07 0 A 1 +ATOM 683 C CB . ALA A 1 87 ? 31.933 12.003 10.194 1.00 11.65 0 A 1 +ATOM 684 N N . LEU A 1 88 ? 31.083 8.946 10.124 1.00 12.83 0 A 1 +ATOM 685 C CA . LEU A 1 88 ? 30.315 7.861 9.512 1.00 11.51 0 A 1 +ATOM 686 C C . LEU A 1 88 ? 29.525 7.075 10.557 1.00 13.02 0 A 1 +ATOM 687 O O . LEU A 1 88 ? 28.387 6.674 10.309 1.00 14.79 0 A 1 +ATOM 688 C CB . LEU A 1 88 ? 31.240 6.935 8.717 1.00 10.68 0 A 1 +ATOM 689 C CG . LEU A 1 88 ? 32.029 7.627 7.600 1.00 11.18 0 A 1 +ATOM 690 C CD1 . LEU A 1 88 ? 32.885 6.613 6.851 1.00 10.41 0 A 1 +ATOM 691 C CD2 . LEU A 1 88 ? 31.075 8.333 6.647 1.00 6.76 0 A 1 +ATOM 692 N N . VAL A 1 89 ? 30.125 6.884 11.732 1.00 11.20 0 A 1 +ATOM 693 C CA . VAL A 1 89 ? 29.477 6.172 12.837 1.00 10.83 0 A 1 +ATOM 694 C C . VAL A 1 89 ? 28.221 6.938 13.260 1.00 14.49 0 A 1 +ATOM 695 O O . VAL A 1 89 ? 27.168 6.338 13.491 1.00 13.06 0 A 1 +ATOM 696 C CB . VAL A 1 89 ? 30.437 6.024 14.048 1.00 14.37 0 A 1 +ATOM 697 C CG1 . VAL A 1 89 ? 29.708 5.422 15.235 1.00 10.83 0 A 1 +ATOM 698 C CG2 . VAL A 1 89 ? 31.630 5.154 13.674 1.00 7.93 0 A 1 +ATOM 699 N N . ASP A 1 90 ? 28.345 8.264 13.344 1.00 17.78 0 A 1 +ATOM 700 C CA . ASP A 1 90 ? 27.232 9.141 13.709 1.00 10.64 0 A 1 +ATOM 701 C C . ASP A 1 90 ? 26.126 9.050 12.666 1.00 9.62 0 A 1 +ATOM 702 O O . ASP A 1 90 ? 24.947 8.987 13.006 1.00 16.15 0 A 1 +ATOM 703 C CB . ASP A 1 90 ? 27.698 10.603 13.812 1.00 9.99 0 A 1 +ATOM 704 C CG . ASP A 1 90 ? 28.359 10.920 15.140 1.00 5.61 0 A 1 +ATOM 705 O OD1 . ASP A 1 90 ? 28.036 10.253 16.145 1.00 13.44 0 A 1 +ATOM 706 O OD2 . ASP A 1 90 ? 29.183 11.856 15.204 1.00 12.55 0 A 1 +ATOM 707 N N . MET A 1 91 ? 26.515 9.064 11.393 1.00 7.49 0 A 1 +ATOM 708 C CA . MET A 1 91 ? 25.559 8.986 10.294 1.00 11.58 0 A 1 +ATOM 709 C C . MET A 1 91 ? 24.767 7.687 10.358 1.00 9.33 0 A 1 +ATOM 710 O O . MET A 1 91 ? 23.562 7.672 10.086 1.00 12.38 0 A 1 +ATOM 711 C CB . MET A 1 91 ? 26.285 9.112 8.953 1.00 9.78 0 A 1 +ATOM 712 C CG . MET A 1 91 ? 25.365 9.077 7.742 1.00 16.04 0 A 1 +ATOM 713 S SD . MET A 1 91 ? 26.261 9.399 6.211 1.00 19.88 0 A 1 +ATOM 714 C CE . MET A 1 91 ? 27.389 7.993 6.160 1.00 29.19 0 A 1 +ATOM 715 N N . VAL A 1 92 ? 25.448 6.598 10.717 1.00 14.63 0 A 1 +ATOM 716 C CA . VAL A 1 92 ? 24.790 5.297 10.848 1.00 13.36 0 A 1 +ATOM 717 C C . VAL A 1 92 ? 23.827 5.340 12.037 1.00 11.03 0 A 1 +ATOM 718 O O . VAL A 1 92 ? 22.655 4.994 11.902 1.00 12.92 0 A 1 +ATOM 719 C CB . VAL A 1 92 ? 25.821 4.145 11.051 1.00 12.08 0 A 1 +ATOM 720 C CG1 . VAL A 1 92 ? 25.096 2.839 11.354 1.00 10.69 0 A 1 +ATOM 721 C CG2 . VAL A 1 92 ? 26.686 3.980 9.802 1.00 7.76 0 A 1 +ATOM 722 N N . ASN A 1 93 ? 24.307 5.821 13.183 1.00 12.31 0 A 1 +ATOM 723 C CA . ASN A 1 93 ? 23.479 5.900 14.382 1.00 10.00 0 A 1 +ATOM 724 C C . ASN A 1 93 ? 22.250 6.778 14.203 1.00 9.72 0 A 1 +ATOM 725 O O . ASN A 1 93 ? 21.165 6.419 14.666 1.00 15.02 0 A 1 +ATOM 726 C CB . ASN A 1 93 ? 24.288 6.373 15.595 1.00 12.15 0 A 1 +ATOM 727 C CG . ASN A 1 93 ? 23.665 5.908 16.906 1.00 14.08 0 A 1 +ATOM 728 N ND2 . ASN A 1 93 ? 23.154 6.841 17.703 1.00 10.51 0 A 1 +ATOM 729 O OD1 . ASN A 1 93 ? 23.627 4.712 17.178 1.00 13.32 0 A 1 +ATOM 730 N N . ASP A 1 94 ? 22.415 7.919 13.535 1.00 9.31 0 A 1 +ATOM 731 C CA . ASP A 1 94 ? 21.289 8.824 13.290 1.00 10.13 0 A 1 +ATOM 732 C C . ASP A 1 94 ? 20.267 8.122 12.411 1.00 7.72 0 A 1 +ATOM 733 O O . ASP A 1 94 ? 19.061 8.323 12.564 1.00 11.87 0 A 1 +ATOM 734 C CB . ASP A 1 94 ? 21.763 10.119 12.621 1.00 11.93 0 A 1 +ATOM 735 C CG . ASP A 1 94 ? 22.494 11.048 13.581 1.00 17.36 0 A 1 +ATOM 736 O OD1 . ASP A 1 94 ? 22.683 10.691 14.766 1.00 22.49 0 A 1 +ATOM 737 O OD2 . ASP A 1 94 ? 22.859 12.161 13.148 1.00 16.78 0 A 1 +ATOM 738 N N . GLY A 1 95 ? 20.761 7.293 11.493 1.00 11.46 0 A 1 +ATOM 739 C CA . GLY A 1 95 ? 19.880 6.538 10.619 1.00 11.96 0 A 1 +ATOM 740 C C . GLY A 1 95 ? 19.112 5.525 11.445 1.00 13.87 0 A 1 +ATOM 741 O O . GLY A 1 95 ? 17.902 5.384 11.295 1.00 10.04 0 A 1 +ATOM 742 N N . VAL A 1 96 ? 19.814 4.835 12.341 1.00 13.88 0 A 1 +ATOM 743 C CA . VAL A 1 96 ? 19.182 3.849 13.216 1.00 11.98 0 A 1 +ATOM 744 C C . VAL A 1 96 ? 18.107 4.531 14.072 1.00 10.88 0 A 1 +ATOM 745 O O . VAL A 1 96 ? 16.984 4.041 14.176 1.00 14.86 0 A 1 +ATOM 746 C CB . VAL A 1 96 ? 20.220 3.177 14.144 1.00 15.73 0 A 1 +ATOM 747 C CG1 . VAL A 1 96 ? 19.522 2.296 15.178 1.00 13.37 0 A 1 +ATOM 748 C CG2 . VAL A 1 96 ? 21.207 2.364 13.320 1.00 13.54 0 A 1 +ATOM 749 N N . GLU A 1 97 ? 18.453 5.686 14.638 1.00 11.49 0 A 1 +ATOM 750 C CA . GLU A 1 97 ? 17.539 6.455 15.481 1.00 13.61 0 A 1 +ATOM 751 C C . GLU A 1 97 ? 16.254 6.851 14.748 1.00 13.41 0 A 1 +ATOM 752 O O . GLU A 1 97 ? 15.164 6.790 15.326 1.00 18.49 0 A 1 +ATOM 753 C CB . GLU A 1 97 ? 18.257 7.692 16.042 1.00 11.32 0 A 1 +ATOM 754 C CG . GLU A 1 97 ? 17.372 8.657 16.838 1.00 10.63 0 A 1 +ATOM 755 C CD . GLU A 1 97 ? 16.645 8.001 18.012 1.00 14.42 0 A 1 +ATOM 756 O OE1 . GLU A 1 97 ? 17.222 7.119 18.680 1.00 11.55 0 A 1 +ATOM 757 O OE2 . GLU A 1 97 ? 15.485 8.377 18.267 1.00 17.87 0 A 1 +ATOM 758 N N . ASP A 1 98 ? 16.381 7.249 13.481 1.00 14.10 0 A 1 +ATOM 759 C CA . ASP A 1 98 ? 15.216 7.630 12.677 1.00 13.15 0 A 1 +ATOM 760 C C . ASP A 1 98 ? 14.257 6.455 12.514 1.00 9.79 0 A 1 +ATOM 761 O O . ASP A 1 98 ? 13.046 6.599 12.700 1.00 11.28 0 A 1 +ATOM 762 C CB . ASP A 1 98 ? 15.640 8.139 11.293 1.00 15.20 0 A 1 +ATOM 763 C CG . ASP A 1 98 ? 16.111 9.590 11.309 1.00 12.17 0 A 1 +ATOM 764 O OD1 . ASP A 1 98 ? 15.894 10.294 12.320 1.00 12.79 0 A 1 +ATOM 765 O OD2 . ASP A 1 98 ? 16.676 10.041 10.291 1.00 23.99 0 A 1 +ATOM 766 N N . LEU A 1 99 ? 14.799 5.290 12.166 1.00 12.65 0 A 1 +ATOM 767 C CA . LEU A 1 99 ? 13.960 4.108 12.000 1.00 15.16 0 A 1 +ATOM 768 C C . LEU A 1 99 ? 13.397 3.643 13.346 1.00 13.92 0 A 1 +ATOM 769 O O . LEU A 1 99 ? 12.263 3.173 13.420 1.00 15.05 0 A 1 +ATOM 770 C CB . LEU A 1 99 ? 14.729 2.982 11.302 1.00 13.89 0 A 1 +ATOM 771 C CG . LEU A 1 99 ? 13.939 1.700 11.014 1.00 15.66 0 A 1 +ATOM 772 C CD1 . LEU A 1 99 ? 12.600 2.021 10.370 1.00 12.79 0 A 1 +ATOM 773 C CD2 . LEU A 1 99 ? 14.759 0.792 10.119 1.00 14.29 0 A 1 +ATOM 774 N N . ARG A 1 100 ? 14.170 3.824 14.415 1.00 13.87 0 A 1 +ATOM 775 C CA . ARG A 1 100 ? 13.717 3.435 15.748 1.00 14.16 0 A 1 +ATOM 776 C C . ARG A 1 100 ? 12.487 4.256 16.153 1.00 12.03 0 A 1 +ATOM 777 O O . ARG A 1 100 ? 11.551 3.710 16.735 1.00 21.59 0 A 1 +ATOM 778 C CB . ARG A 1 100 ? 14.836 3.593 16.786 1.00 10.62 0 A 1 +ATOM 779 C CG . ARG A 1 100 ? 14.465 3.035 18.156 1.00 10.57 0 A 1 +ATOM 780 C CD . ARG A 1 100 ? 15.599 3.165 19.162 1.00 3.47 0 A 1 +ATOM 781 N NE . ARG A 1 100 ? 16.748 2.327 18.828 1.00 12.32 0 A 1 +ATOM 782 C CZ . ARG A 1 100 ? 16.822 1.019 19.057 1.00 10.19 0 A 1 +ATOM 783 N NH1 . ARG A 1 100 ? 15.807 0.373 19.621 1.00 7.16 0 A 1 +ATOM 784 N NH2 . ARG A 1 100 ? 17.923 0.354 18.732 1.00 13.11 0 A 1 +ATOM 785 N N . CYS A 1 101 ? 12.479 5.550 15.820 1.00 12.84 0 A 1 +ATOM 786 C CA . CYS A 1 101 ? 11.343 6.417 16.136 1.00 12.88 0 A 1 +ATOM 787 C C . CYS A 1 101 ? 10.089 5.953 15.421 1.00 11.94 0 A 1 +ATOM 788 O O . CYS A 1 101 ? 8.996 5.993 15.985 1.00 20.94 0 A 1 +ATOM 789 C CB . CYS A 1 101 ? 11.628 7.871 15.765 1.00 15.28 0 A 1 +ATOM 790 S SG . CYS A 1 101 ? 12.723 8.699 16.921 1.00 23.55 0 A 1 +ATOM 791 N N . LYS A 1 102 ? 10.247 5.518 14.175 1.00 12.98 0 A 1 +ATOM 792 C CA . LYS A 1 102 ? 9.113 5.028 13.400 1.00 11.80 0 A 1 +ATOM 793 C C . LYS A 1 102 ? 8.593 3.749 14.042 1.00 12.31 0 A 1 +ATOM 794 O O . LYS A 1 102 ? 7.386 3.549 14.152 1.00 16.55 0 A 1 +ATOM 795 C CB . LYS A 1 102 ? 9.528 4.764 11.956 1.00 17.38 0 A 1 +ATOM 796 C CG . LYS A 1 102 ? 9.926 6.019 11.212 1.00 27.18 0 A 1 +ATOM 797 C CD . LYS A 1 102 ? 10.355 5.710 9.800 1.00 28.92 0 A 1 +ATOM 798 C CE . LYS A 1 102 ? 10.687 6.985 9.057 1.00 33.11 0 A 1 +ATOM 799 N NZ . LYS A 1 102 ? 11.177 6.693 7.686 1.00 36.21 0 A 1 +ATOM 800 N N . TYR A 1 103 ? 9.520 2.900 14.485 1.00 9.24 0 A 1 +ATOM 801 C CA . TYR A 1 103 ? 9.180 1.640 15.140 1.00 14.65 0 A 1 +ATOM 802 C C . TYR A 1 103 ? 8.402 1.933 16.422 1.00 16.69 0 A 1 +ATOM 803 O O . TYR A 1 103 ? 7.340 1.360 16.665 1.00 22.64 0 A 1 +ATOM 804 C CB . TYR A 1 103 ? 10.458 0.853 15.466 1.00 13.23 0 A 1 +ATOM 805 C CG . TYR A 1 103 ? 10.249 -0.354 16.367 1.00 12.67 0 A 1 +ATOM 806 C CD1 . TYR A 1 103 ? 9.838 -1.583 15.845 1.00 11.48 0 A 1 +ATOM 807 C CD2 . TYR A 1 103 ? 10.462 -0.265 17.745 1.00 12.26 0 A 1 +ATOM 808 C CE1 . TYR A 1 103 ? 9.645 -2.694 16.681 1.00 17.09 0 A 1 +ATOM 809 C CE2 . TYR A 1 103 ? 10.273 -1.363 18.585 1.00 18.49 0 A 1 +ATOM 810 C CZ . TYR A 1 103 ? 9.865 -2.573 18.050 1.00 18.16 0 A 1 +ATOM 811 O OH . TYR A 1 103 ? 9.681 -3.656 18.882 1.00 11.85 0 A 1 +ATOM 812 N N . ILE A 1 104 ? 8.935 2.846 17.228 1.00 17.02 0 A 1 +ATOM 813 C CA . ILE A 1 104 ? 8.312 3.237 18.486 1.00 11.67 0 A 1 +ATOM 814 C C . ILE A 1 104 ? 6.922 3.823 18.249 1.00 15.35 0 A 1 +ATOM 815 O O . ILE A 1 104 ? 5.977 3.516 18.973 1.00 18.65 0 A 1 +ATOM 816 C CB . ILE A 1 104 ? 9.210 4.239 19.250 1.00 13.49 0 A 1 +ATOM 817 C CG1 . ILE A 1 104 ? 10.470 3.521 19.736 1.00 15.14 0 A 1 +ATOM 818 C CG2 . ILE A 1 104 ? 8.458 4.863 20.423 1.00 11.97 0 A 1 +ATOM 819 C CD1 . ILE A 1 104 ? 11.541 4.448 20.257 1.00 5.69 0 A 1 +ATOM 820 N N . SER A 1 105 ? 6.796 4.638 17.208 1.00 18.14 0 A 1 +ATOM 821 C CA . SER A 1 105 ? 5.517 5.246 16.876 1.00 19.80 0 A 1 +ATOM 822 C C . SER A 1 105 ? 4.501 4.156 16.555 1.00 18.91 0 A 1 +ATOM 823 O O . SER A 1 105 ? 3.354 4.239 16.973 1.00 21.94 0 A 1 +ATOM 824 C CB . SER A 1 105 ? 5.665 6.190 15.684 1.00 19.96 0 A 1 +ATOM 825 O OG . SER A 1 105 ? 4.436 6.833 15.401 1.00 22.52 0 A 1 +ATOM 826 N N . LEU A 1 106 ? 4.929 3.128 15.827 1.00 15.98 0 A 1 +ATOM 827 C CA . LEU A 1 106 ? 4.042 2.021 15.472 1.00 19.05 0 A 1 +ATOM 828 C C . LEU A 1 106 ? 3.581 1.263 16.716 1.00 17.47 0 A 1 +ATOM 829 O O . LEU A 1 106 ? 2.384 1.084 16.937 1.00 19.49 0 A 1 +ATOM 830 C CB . LEU A 1 106 ? 4.752 1.049 14.524 1.00 16.89 0 A 1 +ATOM 831 C CG . LEU A 1 106 ? 4.014 -0.266 14.255 1.00 24.30 0 A 1 +ATOM 832 C CD1 . LEU A 1 106 ? 2.744 -0.010 13.457 1.00 12.38 0 A 1 +ATOM 833 C CD2 . LEU A 1 106 ? 4.920 -1.225 13.515 1.00 22.23 0 A 1 +ATOM 834 N N . ILE A 1 107 ? 4.549 0.831 17.521 1.00 15.72 0 A 1 +ATOM 835 C CA . ILE A 1 107 ? 4.295 0.075 18.745 1.00 23.09 0 A 1 +ATOM 836 C C . ILE A 1 107 ? 3.351 0.758 19.738 1.00 22.75 0 A 1 +ATOM 837 O O . ILE A 1 107 ? 2.390 0.149 20.212 1.00 25.35 0 A 1 +ATOM 838 C CB . ILE A 1 107 ? 5.625 -0.253 19.465 1.00 25.26 0 A 1 +ATOM 839 C CG1 . ILE A 1 107 ? 6.497 -1.148 18.582 1.00 19.76 0 A 1 +ATOM 840 C CG2 . ILE A 1 107 ? 5.364 -0.923 20.802 1.00 25.52 0 A 1 +ATOM 841 C CD1 . ILE A 1 107 ? 5.864 -2.479 18.228 1.00 19.78 0 A 1 +ATOM 842 N N . TYR A 1 108 ? 3.608 2.031 20.018 1.00 21.63 0 A 1 +ATOM 843 C CA . TYR A 1 108 ? 2.807 2.785 20.975 1.00 22.71 0 A 1 +ATOM 844 C C . TYR A 1 108 ? 1.609 3.571 20.439 1.00 23.36 0 A 1 +ATOM 845 O O . TYR A 1 108 ? 0.682 3.856 21.189 1.00 24.40 0 A 1 +ATOM 846 C CB . TYR A 1 108 ? 3.722 3.715 21.775 1.00 21.01 0 A 1 +ATOM 847 C CG . TYR A 1 108 ? 4.720 2.979 22.647 1.00 18.74 0 A 1 +ATOM 848 C CD1 . TYR A 1 108 ? 4.365 2.515 23.915 1.00 20.42 0 A 1 +ATOM 849 C CD2 . TYR A 1 108 ? 6.025 2.749 22.208 1.00 21.62 0 A 1 +ATOM 850 C CE1 . TYR A 1 108 ? 5.295 1.837 24.731 1.00 17.64 0 A 1 +ATOM 851 C CE2 . TYR A 1 108 ? 6.956 2.076 23.008 1.00 16.73 0 A 1 +ATOM 852 C CZ . TYR A 1 108 ? 6.587 1.623 24.267 1.00 21.39 0 A 1 +ATOM 853 O OH . TYR A 1 108 ? 7.520 0.967 25.041 1.00 24.74 0 A 1 +ATOM 854 N N . THR A 1 109 ? 1.610 3.901 19.151 1.00 28.26 0 A 1 +ATOM 855 C CA . THR A 1 109 ? 0.519 4.686 18.568 1.00 31.34 0 A 1 +ATOM 856 C C . THR A 1 109 ? -0.558 3.908 17.809 1.00 33.54 0 A 1 +ATOM 857 O O . THR A 1 109 ? -1.747 4.110 18.057 1.00 30.65 0 A 1 +ATOM 858 C CB . THR A 1 109 ? 1.076 5.835 17.695 1.00 28.77 0 A 1 +ATOM 859 C CG2 . THR A 1 109 ? -0.035 6.575 16.966 1.00 37.77 0 A 1 +ATOM 860 O OG1 . THR A 1 109 ? 1.792 6.750 18.533 1.00 30.80 0 A 1 +ATOM 861 N N . ASN A 1 110 ? -0.163 3.025 16.896 1.00 31.20 0 A 1 +ATOM 862 C CA . ASN A 1 110 ? -1.148 2.257 16.138 1.00 33.49 0 A 1 +ATOM 863 C C . ASN A 1 110 ? -0.610 0.938 15.594 1.00 31.43 0 A 1 +ATOM 864 O O . ASN A 1 110 ? -0.471 0.748 14.385 1.00 31.15 0 A 1 +ATOM 865 C CB . ASN A 1 110 ? -1.760 3.113 15.016 1.00 37.66 0 A 1 +ATOM 866 C CG . ASN A 1 110 ? -0.760 3.483 13.932 1.00 44.60 0 A 1 +ATOM 867 N ND2 . ASN A 1 110 ? 0.509 3.639 14.305 1.00 45.88 0 A 1 +ATOM 868 O OD1 . ASN A 1 110 ? -1.130 3.620 12.768 1.00 46.35 0 A 1 +ATOM 869 N N . TYR A 1 111 ? -0.326 0.020 16.510 1.00 29.11 0 A 1 +ATOM 870 C CA . TYR A 1 111 ? 0.192 -1.292 16.159 1.00 28.88 0 A 1 +ATOM 871 C C . TYR A 1 111 ? -0.764 -2.088 15.271 1.00 29.41 0 A 1 +ATOM 872 O O . TYR A 1 111 ? -0.399 -2.504 14.174 1.00 29.16 0 A 1 +ATOM 873 C CB . TYR A 1 111 ? 0.503 -2.084 17.431 1.00 25.82 0 A 1 +ATOM 874 C CG . TYR A 1 111 ? 1.084 -3.453 17.167 1.00 27.76 0 A 1 +ATOM 875 C CD1 . TYR A 1 111 ? 2.460 -3.631 17.026 1.00 25.95 0 A 1 +ATOM 876 C CD2 . TYR A 1 111 ? 0.257 -4.569 17.042 1.00 25.97 0 A 1 +ATOM 877 C CE1 . TYR A 1 111 ? 2.999 -4.888 16.764 1.00 32.35 0 A 1 +ATOM 878 C CE2 . TYR A 1 111 ? 0.784 -5.827 16.779 1.00 21.03 0 A 1 +ATOM 879 C CZ . TYR A 1 111 ? 2.156 -5.980 16.640 1.00 29.01 0 A 1 +ATOM 880 O OH . TYR A 1 111 ? 2.677 -7.224 16.363 1.00 26.57 0 A 1 +ATOM 881 N N . GLU A 1 112 ? -1.989 -2.281 15.752 1.00 34.78 0 A 1 +ATOM 882 C CA . GLU A 1 112 ? -3.007 -3.045 15.032 1.00 39.41 0 A 1 +ATOM 883 C C . GLU A 1 112 ? -3.254 -2.534 13.627 1.00 37.93 0 A 1 +ATOM 884 O O . GLU A 1 112 ? -3.144 -3.283 12.656 1.00 34.97 0 A 1 +ATOM 885 C CB . GLU A 1 112 ? -4.331 -3.045 15.803 1.00 46.25 0 A 1 +ATOM 886 C CG . GLU A 1 112 ? -4.324 -3.861 17.094 1.00 60.16 0 A 1 +ATOM 887 C CD . GLU A 1 112 ? -3.417 -3.281 18.172 1.00 68.30 0 A 1 +ATOM 888 O OE1 . GLU A 1 112 ? -3.449 -2.047 18.386 1.00 69.80 0 A 1 +ATOM 889 O OE2 . GLU A 1 112 ? -2.683 -4.065 18.813 1.00 71.81 0 A 1 +ATOM 890 N N . ALA A 1 113 ? -3.564 -1.247 13.528 1.00 38.97 0 A 1 +ATOM 891 C CA . ALA A 1 113 ? -3.849 -0.616 12.250 1.00 38.90 0 A 1 +ATOM 892 C C . ALA A 1 113 ? -2.657 -0.486 11.305 1.00 35.73 0 A 1 +ATOM 893 O O . ALA A 1 113 ? -2.724 -0.928 10.161 1.00 34.40 0 A 1 +ATOM 894 C CB . ALA A 1 113 ? -4.485 0.746 12.478 1.00 35.69 0 A 1 +ATOM 895 N N . GLY A 1 114 ? -1.558 0.080 11.794 1.00 33.14 0 A 1 +ATOM 896 C CA . GLY A 1 114 ? -0.394 0.294 10.949 1.00 32.59 0 A 1 +ATOM 897 C C . GLY A 1 114 ? 0.639 -0.795 10.719 1.00 31.61 0 A 1 +ATOM 898 O O . GLY A 1 114 ? 1.560 -0.588 9.924 1.00 34.95 0 A 1 +ATOM 899 N N . LYS A 1 115 ? 0.492 -1.949 11.366 1.00 24.40 0 A 1 +ATOM 900 C CA . LYS A 1 115 ? 1.468 -3.033 11.221 1.00 26.77 0 A 1 +ATOM 901 C C . LYS A 1 115 ? 1.736 -3.496 9.788 1.00 29.74 0 A 1 +ATOM 902 O O . LYS A 1 115 ? 2.882 -3.750 9.422 1.00 35.37 0 A 1 +ATOM 903 C CB . LYS A 1 115 ? 1.077 -4.233 12.091 1.00 28.02 0 A 1 +ATOM 904 C CG . LYS A 1 115 ? 2.133 -5.332 12.151 1.00 23.76 0 A 1 +ATOM 905 C CD . LYS A 1 115 ? 1.627 -6.547 12.921 1.00 22.74 0 A 1 +ATOM 906 C CE . LYS A 1 115 ? 2.602 -7.713 12.839 1.00 23.64 0 A 1 +ATOM 907 N NZ . LYS A 1 115 ? 3.915 -7.402 13.469 1.00 33.60 0 A 1 +ATOM 908 N N . ASP A 1 116 ? 0.689 -3.584 8.975 1.00 34.44 0 A 1 +ATOM 909 C CA . ASP A 1 116 ? 0.837 -4.035 7.594 1.00 33.22 0 A 1 +ATOM 910 C C . ASP A 1 116 ? 1.599 -3.073 6.686 1.00 25.88 0 A 1 +ATOM 911 O O . ASP A 1 116 ? 2.517 -3.485 5.975 1.00 23.26 0 A 1 +ATOM 912 C CB . ASP A 1 116 ? -0.528 -4.380 6.997 1.00 45.11 0 A 1 +ATOM 913 C CG . ASP A 1 116 ? -1.194 -5.549 7.707 1.00 51.52 0 A 1 +ATOM 914 O OD1 . ASP A 1 116 ? -0.476 -6.491 8.114 1.00 54.29 0 A 1 +ATOM 915 O OD2 . ASP A 1 116 ? -2.436 -5.529 7.847 1.00 58.73 0 A 1 +ATOM 916 N N . ASP A 1 117 ? 1.230 -1.796 6.721 1.00 29.35 0 A 1 +ATOM 917 C CA . ASP A 1 117 ? 1.897 -0.788 5.903 1.00 26.52 0 A 1 +ATOM 918 C C . ASP A 1 117 ? 3.364 -0.656 6.285 1.00 22.67 0 A 1 +ATOM 919 O O . ASP A 1 117 ? 4.231 -0.529 5.417 1.00 21.20 0 A 1 +ATOM 920 C CB . ASP A 1 117 ? 1.202 0.567 6.045 1.00 30.38 0 A 1 +ATOM 921 C CG . ASP A 1 117 ? -0.170 0.596 5.394 1.00 36.23 0 A 1 +ATOM 922 O OD1 . ASP A 1 117 ? -0.525 -0.364 4.671 1.00 35.08 0 A 1 +ATOM 923 O OD2 . ASP A 1 117 ? -0.900 1.586 5.612 1.00 40.82 0 A 1 +ATOM 924 N N . TYR A 1 118 ? 3.631 -0.700 7.589 1.00 19.95 0 A 1 +ATOM 925 C CA . TYR A 1 118 ? 4.987 -0.593 8.117 1.00 16.19 0 A 1 +ATOM 926 C C . TYR A 1 118 ? 5.884 -1.718 7.598 1.00 21.17 0 A 1 +ATOM 927 O O . TYR A 1 118 ? 7.026 -1.475 7.198 1.00 20.90 0 A 1 +ATOM 928 C CB . TYR A 1 118 ? 4.959 -0.608 9.653 1.00 14.13 0 A 1 +ATOM 929 C CG . TYR A 1 118 ? 6.302 -0.352 10.304 1.00 16.19 0 A 1 +ATOM 930 C CD1 . TYR A 1 118 ? 7.217 -1.384 10.486 1.00 16.18 0 A 1 +ATOM 931 C CD2 . TYR A 1 118 ? 6.659 0.928 10.732 1.00 15.74 0 A 1 +ATOM 932 C CE1 . TYR A 1 118 ? 8.453 -1.151 11.075 1.00 17.42 0 A 1 +ATOM 933 C CE2 . TYR A 1 118 ? 7.891 1.172 11.324 1.00 14.62 0 A 1 +ATOM 934 C CZ . TYR A 1 118 ? 8.785 0.128 11.492 1.00 17.45 0 A 1 +ATOM 935 O OH . TYR A 1 118 ? 10.010 0.352 12.079 1.00 16.68 0 A 1 +ATOM 936 N N . VAL A 1 119 ? 5.376 -2.948 7.625 1.00 26.68 0 A 1 +ATOM 937 C CA . VAL A 1 119 ? 6.144 -4.098 7.151 1.00 27.41 0 A 1 +ATOM 938 C C . VAL A 1 119 ? 6.403 -4.022 5.637 1.00 27.37 0 A 1 +ATOM 939 O O . VAL A 1 119 ? 7.460 -4.445 5.164 1.00 25.57 0 A 1 +ATOM 940 C CB . VAL A 1 119 ? 5.451 -5.433 7.529 1.00 28.54 0 A 1 +ATOM 941 C CG1 . VAL A 1 119 ? 6.251 -6.620 7.013 1.00 27.92 0 A 1 +ATOM 942 C CG2 . VAL A 1 119 ? 5.314 -5.532 9.037 1.00 22.22 0 A 1 +ATOM 943 N N . LYS A 1 120 ? 5.452 -3.460 4.890 1.00 30.82 0 A 1 +ATOM 944 C CA . LYS A 1 120 ? 5.590 -3.309 3.439 1.00 33.93 0 A 1 +ATOM 945 C C . LYS A 1 120 ? 6.695 -2.307 3.108 1.00 29.52 0 A 1 +ATOM 946 O O . LYS A 1 120 ? 7.451 -2.494 2.155 1.00 27.60 0 A 1 +ATOM 947 C CB . LYS A 1 120 ? 4.279 -2.819 2.816 1.00 40.91 0 A 1 +ATOM 948 C CG . LYS A 1 120 ? 3.118 -3.784 2.943 1.00 52.35 0 A 1 +ATOM 949 C CD . LYS A 1 120 ? 1.806 -3.093 2.601 1.00 62.16 0 A 1 +ATOM 950 C CE . LYS A 1 120 ? 0.608 -3.969 2.947 1.00 64.49 0 A 1 +ATOM 951 N NZ . LYS A 1 120 ? -0.678 -3.221 2.833 1.00 71.12 0 A 1 +ATOM 952 N N . ALA A 1 121 ? 6.782 -1.247 3.910 1.00 26.57 0 A 1 +ATOM 953 C CA . ALA A 1 121 ? 7.782 -0.198 3.716 1.00 24.50 0 A 1 +ATOM 954 C C . ALA A 1 121 ? 9.154 -0.551 4.280 1.00 20.48 0 A 1 +ATOM 955 O O . ALA A 1 121 ? 10.148 0.101 3.956 1.00 25.32 0 A 1 +ATOM 956 C CB . ALA A 1 121 ? 7.291 1.108 4.326 1.00 21.25 0 A 1 +ATOM 957 N N . LEU A 1 122 ? 9.210 -1.591 5.107 1.00 20.79 0 A 1 +ATOM 958 C CA . LEU A 1 122 ? 10.460 -2.020 5.727 1.00 20.56 0 A 1 +ATOM 959 C C . LEU A 1 122 ? 11.676 -2.186 4.810 1.00 18.57 0 A 1 +ATOM 960 O O . LEU A 1 122 ? 12.755 -1.693 5.130 1.00 26.35 0 A 1 +ATOM 961 C CB . LEU A 1 122 ? 10.252 -3.306 6.526 1.00 18.11 0 A 1 +ATOM 962 C CG . LEU A 1 122 ? 10.454 -3.225 8.038 1.00 21.41 0 A 1 +ATOM 963 C CD1 . LEU A 1 122 ? 10.569 -4.640 8.584 1.00 19.12 0 A 1 +ATOM 964 C CD2 . LEU A 1 122 ? 11.711 -2.429 8.373 1.00 10.04 0 A 1 +ATOM 965 N N . PRO A 1 123 ? 11.527 -2.896 3.672 1.00 18.53 0 A 1 +ATOM 966 C CA . PRO A 1 123 ? 12.660 -3.094 2.756 1.00 17.86 0 A 1 +ATOM 967 C C . PRO A 1 123 ? 13.358 -1.797 2.365 1.00 19.01 0 A 1 +ATOM 968 O O . PRO A 1 123 ? 14.588 -1.730 2.334 1.00 19.65 0 A 1 +ATOM 969 C CB . PRO A 1 123 ? 12.003 -3.767 1.553 1.00 19.69 0 A 1 +ATOM 970 C CG . PRO A 1 123 ? 10.920 -4.574 2.181 1.00 13.62 0 A 1 +ATOM 971 C CD . PRO A 1 123 ? 10.332 -3.600 3.176 1.00 16.52 0 A 1 +ATOM 972 N N . GLY A 1 124 ? 12.568 -0.762 2.095 1.00 16.44 0 A 1 +ATOM 973 C CA . GLY A 1 124 ? 13.130 0.523 1.720 1.00 19.77 0 A 1 +ATOM 974 C C . GLY A 1 124 ? 13.902 1.143 2.865 1.00 20.03 0 A 1 +ATOM 975 O O . GLY A 1 124 ? 14.898 1.830 2.645 1.00 22.98 0 A 1 +ATOM 976 N N . GLN A 1 125 ? 13.438 0.890 4.087 1.00 17.30 0 A 1 +ATOM 977 C CA . GLN A 1 125 ? 14.077 1.403 5.297 1.00 16.24 0 A 1 +ATOM 978 C C . GLN A 1 125 ? 15.373 0.672 5.632 1.00 15.26 0 A 1 +ATOM 979 O O . GLN A 1 125 ? 16.293 1.260 6.191 1.00 19.15 0 A 1 +ATOM 980 C CB . GLN A 1 125 ? 13.127 1.286 6.491 1.00 16.01 0 A 1 +ATOM 981 C CG . GLN A 1 125 ? 11.857 2.102 6.356 1.00 17.50 0 A 1 +ATOM 982 C CD . GLN A 1 125 ? 12.147 3.573 6.155 1.00 24.85 0 A 1 +ATOM 983 N NE2 . GLN A 1 125 ? 11.607 4.148 5.093 1.00 25.77 0 A 1 +ATOM 984 O OE1 . GLN A 1 125 ? 12.847 4.187 6.960 1.00 28.68 0 A 1 +ATOM 985 N N . LEU A 1 126 ? 15.438 -0.613 5.295 1.00 16.33 0 A 1 +ATOM 986 C CA . LEU A 1 126 ? 16.622 -1.423 5.577 1.00 17.45 0 A 1 +ATOM 987 C C . LEU A 1 126 ? 17.730 -1.341 4.530 1.00 18.14 0 A 1 +ATOM 988 O O . LEU A 1 126 ? 18.905 -1.537 4.860 1.00 25.46 0 A 1 +ATOM 989 C CB . LEU A 1 126 ? 16.220 -2.884 5.801 1.00 16.46 0 A 1 +ATOM 990 C CG . LEU A 1 126 ? 15.309 -3.130 7.005 1.00 20.15 0 A 1 +ATOM 991 C CD1 . LEU A 1 126 ? 14.871 -4.588 7.049 1.00 17.45 0 A 1 +ATOM 992 C CD2 . LEU A 1 126 ? 16.036 -2.735 8.285 1.00 14.62 0 A 1 +ATOM 993 N N . LYS A 1 127 ? 17.365 -1.054 3.278 1.00 17.93 0 A 1 +ATOM 994 C CA . LYS A 1 127 ? 18.350 -0.955 2.193 1.00 18.57 0 A 1 +ATOM 995 C C . LYS A 1 127 ? 19.580 -0.097 2.486 1.00 20.23 0 A 1 +ATOM 996 O O . LYS A 1 127 ? 20.699 -0.511 2.187 1.00 21.96 0 A 1 +ATOM 997 C CB . LYS A 1 127 ? 17.693 -0.504 0.886 1.00 25.83 0 A 1 +ATOM 998 C CG . LYS A 1 127 ? 17.200 -1.656 0.044 1.00 37.54 0 A 1 +ATOM 999 C CD . LYS A 1 127 ? 16.323 -1.193 -1.104 1.00 44.78 0 A 1 +ATOM 1000 C CE . LYS A 1 127 ? 15.743 -2.395 -1.838 1.00 50.61 0 A 1 +ATOM 1001 N NZ . LYS A 1 127 ? 14.710 -2.002 -2.834 1.00 54.16 0 A 1 +ATOM 1002 N N . PRO A 1 128 ? 19.397 1.102 3.079 1.00 21.41 0 A 1 +ATOM 1003 C CA . PRO A 1 128 ? 20.549 1.958 3.381 1.00 17.21 0 A 1 +ATOM 1004 C C . PRO A 1 128 ? 21.665 1.260 4.167 1.00 14.30 0 A 1 +ATOM 1005 O O . PRO A 1 128 ? 22.847 1.484 3.901 1.00 17.45 0 A 1 +ATOM 1006 C CB . PRO A 1 128 ? 19.920 3.089 4.189 1.00 17.18 0 A 1 +ATOM 1007 C CG . PRO A 1 128 ? 18.589 3.241 3.542 1.00 17.64 0 A 1 +ATOM 1008 C CD . PRO A 1 128 ? 18.137 1.804 3.401 1.00 16.09 0 A 1 +ATOM 1009 N N . PHE A 1 129 ? 21.293 0.394 5.109 1.00 13.97 0 A 1 +ATOM 1010 C CA . PHE A 1 129 ? 22.279 -0.313 5.927 1.00 15.11 0 A 1 +ATOM 1011 C C . PHE A 1 129 ? 22.978 -1.442 5.168 1.00 15.41 0 A 1 +ATOM 1012 O O . PHE A 1 129 ? 24.153 -1.729 5.413 1.00 16.71 0 A 1 +ATOM 1013 C CB . PHE A 1 129 ? 21.631 -0.804 7.226 1.00 14.45 0 A 1 +ATOM 1014 C CG . PHE A 1 129 ? 20.973 0.300 8.017 1.00 18.90 0 A 1 +ATOM 1015 C CD1 . PHE A 1 129 ? 21.740 1.275 8.652 1.00 19.40 0 A 1 +ATOM 1016 C CD2 . PHE A 1 129 ? 19.587 0.396 8.084 1.00 19.14 0 A 1 +ATOM 1017 C CE1 . PHE A 1 129 ? 21.133 2.330 9.337 1.00 18.63 0 A 1 +ATOM 1018 C CE2 . PHE A 1 129 ? 18.972 1.448 8.767 1.00 18.95 0 A 1 +ATOM 1019 C CZ . PHE A 1 129 ? 19.748 2.415 9.393 1.00 7.59 0 A 1 +ATOM 1020 N N . GLU A 1 130 ? 22.251 -2.068 4.243 1.00 17.31 0 A 1 +ATOM 1021 C CA . GLU A 1 130 ? 22.800 -3.126 3.398 1.00 20.93 0 A 1 +ATOM 1022 C C . GLU A 1 130 ? 23.848 -2.466 2.493 1.00 20.50 0 A 1 +ATOM 1023 O O . GLU A 1 130 ? 24.926 -3.018 2.255 1.00 20.68 0 A 1 +ATOM 1024 C CB . GLU A 1 130 ? 21.680 -3.743 2.545 1.00 18.29 0 A 1 +ATOM 1025 C CG . GLU A 1 130 ? 22.118 -4.851 1.575 1.00 21.84 0 A 1 +ATOM 1026 C CD . GLU A 1 130 ? 22.396 -6.192 2.248 1.00 22.93 0 A 1 +ATOM 1027 O OE1 . GLU A 1 130 ? 22.104 -6.336 3.453 1.00 26.14 0 A 1 +ATOM 1028 O OE2 . GLU A 1 130 ? 22.898 -7.111 1.564 1.00 23.95 0 A 1 +ATOM 1029 N N . THR A 1 131 ? 23.527 -1.256 2.031 1.00 19.13 0 A 1 +ATOM 1030 C CA . THR A 1 131 ? 24.407 -0.468 1.167 1.00 18.96 0 A 1 +ATOM 1031 C C . THR A 1 131 ? 25.690 -0.079 1.897 1.00 16.89 0 A 1 +ATOM 1032 O O . THR A 1 131 ? 26.787 -0.218 1.359 1.00 24.80 0 A 1 +ATOM 1033 C CB . THR A 1 131 ? 23.704 0.819 0.699 1.00 22.34 0 A 1 +ATOM 1034 C CG2 . THR A 1 131 ? 24.588 1.592 -0.269 1.00 24.70 0 A 1 +ATOM 1035 O OG1 . THR A 1 131 ? 22.470 0.483 0.053 1.00 21.08 0 A 1 +ATOM 1036 N N . LEU A 1 132 ? 25.540 0.438 3.115 1.00 15.24 0 A 1 +ATOM 1037 C CA . LEU A 1 132 ? 26.688 0.833 3.930 1.00 18.82 0 A 1 +ATOM 1038 C C . LEU A 1 132 ? 27.625 -0.360 4.110 1.00 23.43 0 A 1 +ATOM 1039 O O . LEU A 1 132 ? 28.840 -0.242 3.954 1.00 26.11 0 A 1 +ATOM 1040 C CB . LEU A 1 132 ? 26.218 1.335 5.299 1.00 16.26 0 A 1 +ATOM 1041 C CG . LEU A 1 132 ? 25.560 2.719 5.320 1.00 17.65 0 A 1 +ATOM 1042 C CD1 . LEU A 1 132 ? 24.784 2.930 6.608 1.00 11.78 0 A 1 +ATOM 1043 C CD2 . LEU A 1 132 ? 26.627 3.786 5.148 1.00 18.72 0 A 1 +ATOM 1044 N N . LEU A 1 133 ? 27.034 -1.515 4.398 1.00 22.15 0 A 1 +ATOM 1045 C CA . LEU A 1 133 ? 27.771 -2.755 4.595 1.00 25.34 0 A 1 +ATOM 1046 C C . LEU A 1 133 ? 28.514 -3.154 3.316 1.00 23.05 0 A 1 +ATOM 1047 O O . LEU A 1 133 ? 29.706 -3.472 3.360 1.00 27.63 0 A 1 +ATOM 1048 C CB . LEU A 1 133 ? 26.793 -3.856 5.021 1.00 21.69 0 A 1 +ATOM 1049 C CG . LEU A 1 133 ? 27.066 -4.681 6.283 1.00 23.31 0 A 1 +ATOM 1050 C CD1 . LEU A 1 133 ? 27.859 -3.901 7.312 1.00 17.10 0 A 1 +ATOM 1051 C CD2 . LEU A 1 133 ? 25.739 -5.146 6.861 1.00 14.40 0 A 1 +ATOM 1052 N N . SER A 1 134 ? 27.832 -3.081 2.172 1.00 20.70 0 A 1 +ATOM 1053 C CA . SER A 1 134 ? 28.447 -3.445 0.893 1.00 20.46 0 A 1 +ATOM 1054 C C . SER A 1 134 ? 29.633 -2.564 0.505 1.00 20.87 0 A 1 +ATOM 1055 O O . SER A 1 134 ? 30.515 -3.003 -0.237 1.00 21.25 0 A 1 +ATOM 1056 C CB . SER A 1 134 ? 27.407 -3.459 -0.236 1.00 19.60 0 A 1 +ATOM 1057 O OG . SER A 1 134 ? 26.940 -2.158 -0.544 1.00 31.77 0 A 1 +ATOM 1058 N N . GLN A 1 135 ? 29.666 -1.334 1.013 1.00 24.07 0 A 1 +ATOM 1059 C CA . GLN A 1 135 ? 30.760 -0.412 0.713 1.00 23.11 0 A 1 +ATOM 1060 C C . GLN A 1 135 ? 31.928 -0.516 1.688 1.00 21.26 0 A 1 +ATOM 1061 O O . GLN A 1 135 ? 32.943 0.159 1.517 1.00 24.65 0 A 1 +ATOM 1062 C CB . GLN A 1 135 ? 30.241 1.019 0.685 1.00 22.43 0 A 1 +ATOM 1063 C CG . GLN A 1 135 ? 29.215 1.262 -0.393 1.00 25.74 0 A 1 +ATOM 1064 C CD . GLN A 1 135 ? 28.499 2.581 -0.212 1.00 34.49 0 A 1 +ATOM 1065 N NE2 . GLN A 1 135 ? 27.625 2.907 -1.154 1.00 31.85 0 A 1 +ATOM 1066 O OE1 . GLN A 1 135 ? 28.712 3.293 0.775 1.00 35.27 0 A 1 +ATOM 1067 N N . ASN A 1 136 ? 31.780 -1.335 2.724 1.00 26.24 0 A 1 +ATOM 1068 C CA . ASN A 1 136 ? 32.832 -1.515 3.709 1.00 23.91 0 A 1 +ATOM 1069 C C . ASN A 1 136 ? 33.346 -2.952 3.680 1.00 23.19 0 A 1 +ATOM 1070 O O . ASN A 1 136 ? 32.749 -3.841 4.281 1.00 20.02 0 A 1 +ATOM 1071 C CB . ASN A 1 136 ? 32.329 -1.150 5.113 1.00 23.14 0 A 1 +ATOM 1072 C CG . ASN A 1 136 ? 33.410 -1.294 6.176 1.00 18.43 0 A 1 +ATOM 1073 N ND2 . ASN A 1 136 ? 33.001 -1.620 7.393 1.00 18.88 0 A 1 +ATOM 1074 O OD1 . ASN A 1 136 ? 34.596 -1.124 5.895 1.00 22.95 0 A 1 +ATOM 1075 N N . GLN A 1 137 ? 34.448 -3.170 2.956 1.00 30.48 0 A 1 +ATOM 1076 C CA . GLN A 1 137 ? 35.068 -4.498 2.828 1.00 35.38 0 A 1 +ATOM 1077 C C . GLN A 1 137 ? 34.067 -5.603 2.494 1.00 34.39 0 A 1 +ATOM 1078 O O . GLN A 1 137 ? 34.145 -6.708 3.036 1.00 35.83 0 A 1 +ATOM 1079 C CB . GLN A 1 137 ? 35.820 -4.858 4.109 1.00 40.71 0 A 1 +ATOM 1080 C CG . GLN A 1 137 ? 37.003 -3.968 4.421 1.00 49.70 0 A 1 +ATOM 1081 C CD . GLN A 1 137 ? 37.478 -4.127 5.853 1.00 56.20 0 A 1 +ATOM 1082 N NE2 . GLN A 1 137 ? 37.096 -3.193 6.717 1.00 63.16 0 A 1 +ATOM 1083 O OE1 . GLN A 1 137 ? 38.189 -5.084 6.172 1.00 59.11 0 A 1 +ATOM 1084 N N . GLY A 1 138 ? 33.109 -5.283 1.628 1.00 32.06 0 A 1 +ATOM 1085 C CA . GLY A 1 138 ? 32.106 -6.255 1.223 1.00 31.36 0 A 1 +ATOM 1086 C C . GLY A 1 138 ? 31.214 -6.793 2.328 1.00 27.95 0 A 1 +ATOM 1087 O O . GLY A 1 138 ? 30.678 -7.895 2.206 1.00 32.30 0 A 1 +ATOM 1088 N N . GLY A 1 139 ? 31.047 -6.021 3.399 1.00 27.76 0 A 1 +ATOM 1089 C CA . GLY A 1 139 ? 30.209 -6.447 4.509 1.00 29.62 0 A 1 +ATOM 1090 C C . GLY A 1 139 ? 30.785 -7.588 5.326 1.00 30.31 0 A 1 +ATOM 1091 O O . GLY A 1 139 ? 30.050 -8.282 6.024 1.00 32.63 0 A 1 +ATOM 1092 N N . LYS A 1 140 ? 32.102 -7.761 5.266 1.00 31.25 0 A 1 +ATOM 1093 C CA . LYS A 1 140 ? 32.778 -8.833 5.990 1.00 28.63 0 A 1 +ATOM 1094 C C . LYS A 1 140 ? 33.083 -8.498 7.449 1.00 25.10 0 A 1 +ATOM 1095 O O . LYS A 1 140 ? 33.253 -9.404 8.263 1.00 23.68 0 A 1 +ATOM 1096 C CB . LYS A 1 140 ? 34.074 -9.228 5.266 1.00 38.49 0 A 1 +ATOM 1097 C CG . LYS A 1 140 ? 33.871 -9.767 3.849 1.00 45.35 0 A 1 +ATOM 1098 C CD . LYS A 1 140 ? 33.284 -11.175 3.843 1.00 54.87 0 A 1 +ATOM 1099 C CE . LYS A 1 140 ? 34.358 -12.227 4.096 1.00 61.70 0 A 1 +ATOM 1100 N NZ . LYS A 1 140 ? 33.805 -13.614 4.138 1.00 63.75 0 A 1 +ATOM 1101 N N . THR A 1 141 ? 33.139 -7.207 7.778 1.00 22.30 0 A 1 +ATOM 1102 C CA . THR A 1 141 ? 33.442 -6.773 9.144 1.00 22.12 0 A 1 +ATOM 1103 C C . THR A 1 141 ? 32.293 -6.063 9.875 1.00 24.90 0 A 1 +ATOM 1104 O O . THR A 1 141 ? 31.255 -6.671 10.135 1.00 20.04 0 A 1 +ATOM 1105 C CB . THR A 1 141 ? 34.715 -5.896 9.192 1.00 20.16 0 A 1 +ATOM 1106 C CG2 . THR A 1 141 ? 35.956 -6.726 8.901 1.00 19.92 0 A 1 +ATOM 1107 O OG1 . THR A 1 141 ? 34.603 -4.835 8.235 1.00 24.19 0 A 1 +ATOM 1108 N N . PHE A 1 142 ? 32.481 -4.782 10.200 1.00 24.06 0 A 1 +ATOM 1109 C CA . PHE A 1 142 ? 31.481 -4.007 10.924 1.00 14.11 0 A 1 +ATOM 1110 C C . PHE A 1 142 ? 30.814 -2.954 10.043 1.00 13.22 0 A 1 +ATOM 1111 O O . PHE A 1 142 ? 31.162 -2.817 8.872 1.00 18.13 0 A 1 +ATOM 1112 C CB . PHE A 1 142 ? 32.131 -3.388 12.158 1.00 8.66 0 A 1 +ATOM 1113 C CG . PHE A 1 142 ? 32.807 -4.402 13.044 1.00 11.23 0 A 1 +ATOM 1114 C CD1 . PHE A 1 142 ? 32.062 -5.181 13.928 1.00 15.29 0 A 1 +ATOM 1115 C CD2 . PHE A 1 142 ? 34.182 -4.604 12.971 1.00 9.81 0 A 1 +ATOM 1116 C CE1 . PHE A 1 142 ? 32.677 -6.150 14.720 1.00 16.60 0 A 1 +ATOM 1117 C CE2 . PHE A 1 142 ? 34.807 -5.570 13.757 1.00 11.20 0 A 1 +ATOM 1118 C CZ . PHE A 1 142 ? 34.053 -6.343 14.634 1.00 13.77 0 A 1 +ATOM 1119 N N . ILE A 1 143 ? 29.845 -2.224 10.590 1.00 11.57 0 A 1 +ATOM 1120 C CA . ILE A 1 143 ? 29.126 -1.227 9.802 1.00 14.47 0 A 1 +ATOM 1121 C C . ILE A 1 143 ? 30.020 -0.086 9.302 1.00 13.79 0 A 1 +ATOM 1122 O O . ILE A 1 143 ? 29.805 0.444 8.211 1.00 17.62 0 A 1 +ATOM 1123 C CB . ILE A 1 143 ? 27.875 -0.687 10.560 1.00 13.56 0 A 1 +ATOM 1124 C CG1 . ILE A 1 143 ? 26.946 0.047 9.593 1.00 10.06 0 A 1 +ATOM 1125 C CG2 . ILE A 1 143 ? 28.281 0.224 11.719 1.00 8.18 0 A 1 +ATOM 1126 C CD1 . ILE A 1 143 ? 26.301 -0.847 8.546 1.00 15.67 0 A 1 +ATOM 1127 N N . VAL A 1 144 ? 31.032 0.266 10.093 1.00 15.47 0 A 1 +ATOM 1128 C CA . VAL A 1 144 ? 31.981 1.325 9.743 1.00 14.78 0 A 1 +ATOM 1129 C C . VAL A 1 144 ? 33.383 0.903 10.171 1.00 15.71 0 A 1 +ATOM 1130 O O . VAL A 1 144 ? 33.608 0.590 11.341 1.00 18.76 0 A 1 +ATOM 1131 C CB . VAL A 1 144 ? 31.644 2.669 10.449 1.00 16.32 0 A 1 +ATOM 1132 C CG1 . VAL A 1 144 ? 32.764 3.681 10.217 1.00 15.35 0 A 1 +ATOM 1133 C CG2 . VAL A 1 144 ? 30.329 3.228 9.931 1.00 11.41 0 A 1 +ATOM 1134 N N . GLY A 1 145 ? 34.316 0.884 9.223 1.00 15.97 0 A 1 +ATOM 1135 C CA . GLY A 1 145 ? 35.686 0.504 9.534 1.00 14.24 0 A 1 +ATOM 1136 C C . GLY A 1 145 ? 35.887 -0.978 9.801 1.00 16.29 0 A 1 +ATOM 1137 O O . GLY A 1 145 ? 35.046 -1.803 9.438 1.00 18.65 0 A 1 +ATOM 1138 N N . ASP A 1 146 ? 36.995 -1.316 10.456 1.00 22.54 0 A 1 +ATOM 1139 C CA . ASP A 1 146 ? 37.312 -2.709 10.761 1.00 30.65 0 A 1 +ATOM 1140 C C . ASP A 1 146 ? 37.306 -3.027 12.257 1.00 29.65 0 A 1 +ATOM 1141 O O . ASP A 1 146 ? 37.840 -4.051 12.687 1.00 28.68 0 A 1 +ATOM 1142 C CB . ASP A 1 146 ? 38.657 -3.102 10.132 1.00 37.31 0 A 1 +ATOM 1143 C CG . ASP A 1 146 ? 39.828 -2.277 10.659 1.00 43.55 0 A 1 +ATOM 1144 O OD1 . ASP A 1 146 ? 39.608 -1.262 11.360 1.00 45.41 0 A 1 +ATOM 1145 O OD2 . ASP A 1 146 ? 40.984 -2.651 10.357 1.00 49.65 0 A 1 +ATOM 1146 N N . GLN A 1 147 ? 36.707 -2.136 13.042 1.00 28.56 0 A 1 +ATOM 1147 C CA . GLN A 1 147 ? 36.601 -2.303 14.488 1.00 25.18 0 A 1 +ATOM 1148 C C . GLN A 1 147 ? 35.160 -1.956 14.863 1.00 20.70 0 A 1 +ATOM 1149 O O . GLN A 1 147 ? 34.537 -1.092 14.236 1.00 11.29 0 A 1 +ATOM 1150 C CB . GLN A 1 147 ? 37.592 -1.388 15.220 1.00 29.51 0 A 1 +ATOM 1151 C CG . GLN A 1 147 ? 37.435 0.091 14.880 1.00 46.36 0 A 1 +ATOM 1152 C CD . GLN A 1 147 ? 38.307 0.998 15.731 1.00 50.66 0 A 1 +ATOM 1153 N NE2 . GLN A 1 147 ? 37.796 1.390 16.897 1.00 48.79 0 A 1 +ATOM 1154 O OE1 . GLN A 1 147 ? 39.418 1.354 15.340 1.00 49.66 0 A 1 +ATOM 1155 N N . ILE A 1 148 ? 34.617 -2.658 15.855 1.00 22.06 0 A 1 +ATOM 1156 C CA . ILE A 1 148 ? 33.241 -2.435 16.296 1.00 21.02 0 A 1 +ATOM 1157 C C . ILE A 1 148 ? 33.045 -1.043 16.919 1.00 19.78 0 A 1 +ATOM 1158 O O . ILE A 1 148 ? 33.955 -0.495 17.541 1.00 20.36 0 A 1 +ATOM 1159 C CB . ILE A 1 148 ? 32.792 -3.554 17.276 1.00 21.27 0 A 1 +ATOM 1160 C CG1 . ILE A 1 148 ? 31.267 -3.653 17.308 1.00 17.36 0 A 1 +ATOM 1161 C CG2 . ILE A 1 148 ? 33.347 -3.305 18.673 1.00 18.05 0 A 1 +ATOM 1162 C CD1 . ILE A 1 148 ? 30.755 -4.966 17.868 1.00 11.65 0 A 1 +ATOM 1163 N N . SER A 1 149 ? 31.867 -0.463 16.710 1.00 16.67 0 A 1 +ATOM 1164 C CA . SER A 1 149 ? 31.556 0.859 17.245 1.00 11.93 0 A 1 +ATOM 1165 C C . SER A 1 149 ? 30.213 0.784 17.956 1.00 12.08 0 A 1 +ATOM 1166 O O . SER A 1 149 ? 29.525 -0.232 17.867 1.00 17.21 0 A 1 +ATOM 1167 C CB . SER A 1 149 ? 31.488 1.894 16.116 1.00 13.43 0 A 1 +ATOM 1168 O OG . SER A 1 149 ? 30.349 1.690 15.295 1.00 19.78 0 A 1 +ATOM 1169 N N . PHE A 1 150 ? 29.833 1.860 18.645 1.00 15.90 0 A 1 +ATOM 1170 C CA . PHE A 1 150 ? 28.557 1.881 19.357 1.00 14.28 0 A 1 +ATOM 1171 C C . PHE A 1 150 ? 27.379 1.783 18.396 1.00 15.07 0 A 1 +ATOM 1172 O O . PHE A 1 150 ? 26.310 1.299 18.765 1.00 18.45 0 A 1 +ATOM 1173 C CB . PHE A 1 150 ? 28.435 3.119 20.270 1.00 6.01 0 A 1 +ATOM 1174 C CG . PHE A 1 150 ? 28.325 4.432 19.531 1.00 10.24 0 A 1 +ATOM 1175 C CD1 . PHE A 1 150 ? 27.084 4.915 19.129 1.00 7.79 0 A 1 +ATOM 1176 C CD2 . PHE A 1 150 ? 29.461 5.184 19.246 1.00 11.20 0 A 1 +ATOM 1177 C CE1 . PHE A 1 150 ? 26.974 6.130 18.449 1.00 4.86 0 A 1 +ATOM 1178 C CE2 . PHE A 1 150 ? 29.363 6.401 18.566 1.00 12.43 0 A 1 +ATOM 1179 C CZ . PHE A 1 150 ? 28.115 6.875 18.167 1.00 6.22 0 A 1 +ATOM 1180 N N . ALA A 1 151 ? 27.588 2.222 17.156 1.00 14.67 0 A 1 +ATOM 1181 C CA . ALA A 1 151 ? 26.545 2.170 16.130 1.00 9.86 0 A 1 +ATOM 1182 C C . ALA A 1 151 ? 26.207 0.716 15.793 1.00 13.64 0 A 1 +ATOM 1183 O O . ALA A 1 151 ? 25.063 0.395 15.466 1.00 18.49 0 A 1 +ATOM 1184 C CB . ALA A 1 151 ? 26.991 2.923 14.873 1.00 8.29 0 A 1 +ATOM 1185 N N . ASP A 1 152 ? 27.206 -0.157 15.888 1.00 12.74 0 A 1 +ATOM 1186 C CA . ASP A 1 152 ? 27.009 -1.575 15.618 1.00 13.75 0 A 1 +ATOM 1187 C C . ASP A 1 152 ? 26.000 -2.181 16.578 1.00 15.55 0 A 1 +ATOM 1188 O O . ASP A 1 152 ? 25.059 -2.856 16.148 1.00 16.12 0 A 1 +ATOM 1189 C CB . ASP A 1 152 ? 28.335 -2.330 15.726 1.00 15.38 0 A 1 +ATOM 1190 C CG . ASP A 1 152 ? 29.198 -2.166 14.497 1.00 17.05 0 A 1 +ATOM 1191 O OD1 . ASP A 1 152 ? 28.763 -2.584 13.411 1.00 17.90 0 A 1 +ATOM 1192 O OD2 . ASP A 1 152 ? 30.310 -1.622 14.614 1.00 20.46 0 A 1 +ATOM 1193 N N . TYR A 1 153 ? 26.177 -1.910 17.873 1.00 13.19 0 A 1 +ATOM 1194 C CA . TYR A 1 153 ? 25.273 -2.436 18.901 1.00 10.85 0 A 1 +ATOM 1195 C C . TYR A 1 153 ? 23.861 -1.912 18.711 1.00 12.72 0 A 1 +ATOM 1196 O O . TYR A 1 153 ? 22.898 -2.654 18.843 1.00 12.65 0 A 1 +ATOM 1197 C CB . TYR A 1 153 ? 25.778 -2.085 20.309 1.00 11.09 0 A 1 +ATOM 1198 C CG . TYR A 1 153 ? 27.110 -2.701 20.625 1.00 15.15 0 A 1 +ATOM 1199 C CD1 . TYR A 1 153 ? 27.225 -4.070 20.886 1.00 10.58 0 A 1 +ATOM 1200 C CD2 . TYR A 1 153 ? 28.269 -1.929 20.612 1.00 12.66 0 A 1 +ATOM 1201 C CE1 . TYR A 1 153 ? 28.472 -4.652 21.122 1.00 8.48 0 A 1 +ATOM 1202 C CE2 . TYR A 1 153 ? 29.514 -2.500 20.844 1.00 10.43 0 A 1 +ATOM 1203 C CZ . TYR A 1 153 ? 29.607 -3.859 21.097 1.00 11.25 0 A 1 +ATOM 1204 O OH . TYR A 1 153 ? 30.840 -4.419 21.320 1.00 19.43 0 A 1 +ATOM 1205 N N . ASN A 1 154 ? 23.740 -0.634 18.361 1.00 13.16 0 A 1 +ATOM 1206 C CA . ASN A 1 154 ? 22.441 -0.022 18.163 1.00 11.86 0 A 1 +ATOM 1207 C C . ASN A 1 154 ? 21.757 -0.575 16.909 1.00 11.31 0 A 1 +ATOM 1208 O O . ASN A 1 154 ? 20.550 -0.830 16.913 1.00 11.43 0 A 1 +ATOM 1209 C CB . ASN A 1 154 ? 22.570 1.500 18.093 1.00 11.48 0 A 1 +ATOM 1210 C CG . ASN A 1 154 ? 21.255 2.204 18.378 1.00 14.75 0 A 1 +ATOM 1211 N ND2 . ASN A 1 154 ? 21.250 3.517 18.239 1.00 6.38 0 A 1 +ATOM 1212 O OD1 . ASN A 1 154 ? 20.266 1.567 18.750 1.00 21.70 0 A 1 +ATOM 1213 N N . LEU A 1 155 ? 22.531 -0.765 15.844 1.00 13.15 0 A 1 +ATOM 1214 C CA . LEU A 1 155 ? 21.980 -1.296 14.597 1.00 14.55 0 A 1 +ATOM 1215 C C . LEU A 1 155 ? 21.551 -2.744 14.831 1.00 14.03 0 A 1 +ATOM 1216 O O . LEU A 1 155 ? 20.461 -3.144 14.420 1.00 19.73 0 A 1 +ATOM 1217 C CB . LEU A 1 155 ? 23.015 -1.219 13.467 1.00 15.19 0 A 1 +ATOM 1218 C CG . LEU A 1 155 ? 22.609 -1.888 12.144 1.00 13.54 0 A 1 +ATOM 1219 C CD1 . LEU A 1 155 ? 21.292 -1.328 11.634 1.00 18.54 0 A 1 +ATOM 1220 C CD2 . LEU A 1 155 ? 23.708 -1.695 11.117 1.00 10.60 0 A 1 +ATOM 1221 N N . LEU A 1 156 ? 22.394 -3.507 15.529 1.00 10.91 0 A 1 +ATOM 1222 C CA . LEU A 1 156 ? 22.099 -4.907 15.840 1.00 12.78 0 A 1 +ATOM 1223 C C . LEU A 1 156 ? 20.770 -5.011 16.575 1.00 12.99 0 A 1 +ATOM 1224 O O . LEU A 1 156 ? 19.918 -5.822 16.208 1.00 16.51 0 A 1 +ATOM 1225 C CB . LEU A 1 156 ? 23.206 -5.517 16.699 1.00 14.51 0 A 1 +ATOM 1226 C CG . LEU A 1 156 ? 23.016 -6.998 17.041 1.00 14.61 0 A 1 +ATOM 1227 C CD1 . LEU A 1 156 ? 22.962 -7.831 15.764 1.00 4.81 0 A 1 +ATOM 1228 C CD2 . LEU A 1 156 ? 24.150 -7.473 17.933 1.00 12.07 0 A 1 +ATOM 1229 N N . ASP A 1 157 ? 20.591 -4.182 17.605 1.00 13.61 0 A 1 +ATOM 1230 C CA . ASP A 1 157 ? 19.346 -4.187 18.362 1.00 11.27 0 A 1 +ATOM 1231 C C . ASP A 1 157 ? 18.166 -3.885 17.443 1.00 8.71 0 A 1 +ATOM 1232 O O . ASP A 1 157 ? 17.145 -4.577 17.482 1.00 14.18 0 A 1 +ATOM 1233 C CB . ASP A 1 157 ? 19.381 -3.161 19.500 1.00 12.35 0 A 1 +ATOM 1234 C CG . ASP A 1 157 ? 18.058 -3.075 20.232 1.00 16.63 0 A 1 +ATOM 1235 O OD1 . ASP A 1 157 ? 17.627 -4.101 20.788 1.00 20.35 0 A 1 +ATOM 1236 O OD2 . ASP A 1 157 ? 17.401 -2.015 20.187 1.00 19.29 0 A 1 +ATOM 1237 N N . LEU A 1 158 ? 18.311 -2.853 16.615 1.00 8.50 0 A 1 +ATOM 1238 C CA . LEU A 1 158 ? 17.254 -2.470 15.687 1.00 12.15 0 A 1 +ATOM 1239 C C . LEU A 1 158 ? 16.878 -3.653 14.781 1.00 11.76 0 A 1 +ATOM 1240 O O . LEU A 1 158 ? 15.698 -3.948 14.591 1.00 15.38 0 A 1 +ATOM 1241 C CB . LEU A 1 158 ? 17.690 -1.268 14.840 1.00 9.73 0 A 1 +ATOM 1242 C CG . LEU A 1 158 ? 16.608 -0.654 13.942 1.00 14.65 0 A 1 +ATOM 1243 C CD1 . LEU A 1 158 ? 15.533 0.000 14.795 1.00 12.92 0 A 1 +ATOM 1244 C CD2 . LEU A 1 158 ? 17.224 0.367 13.005 1.00 16.13 0 A 1 +ATOM 1245 N N . LEU A 1 159 ? 17.882 -4.359 14.271 1.00 12.20 0 A 1 +ATOM 1246 C CA . LEU A 1 159 ? 17.638 -5.507 13.394 1.00 10.97 0 A 1 +ATOM 1247 C C . LEU A 1 159 ? 16.930 -6.650 14.124 1.00 13.12 0 A 1 +ATOM 1248 O O . LEU A 1 159 ? 15.953 -7.204 13.618 1.00 17.52 0 A 1 +ATOM 1249 C CB . LEU A 1 159 ? 18.955 -5.991 12.774 1.00 6.80 0 A 1 +ATOM 1250 C CG . LEU A 1 159 ? 19.658 -4.948 11.901 1.00 8.80 0 A 1 +ATOM 1251 C CD1 . LEU A 1 159 ? 21.008 -5.451 11.432 1.00 3.64 0 A 1 +ATOM 1252 C CD2 . LEU A 1 159 ? 18.776 -4.591 10.721 1.00 7.07 0 A 1 +ATOM 1253 N N . LEU A 1 160 ? 17.400 -6.968 15.330 1.00 15.08 0 A 1 +ATOM 1254 C CA . LEU A 1 160 ? 16.811 -8.035 16.136 1.00 14.96 0 A 1 +ATOM 1255 C C . LEU A 1 160 ? 15.341 -7.806 16.466 1.00 18.02 0 A 1 +ATOM 1256 O O . LEU A 1 160 ? 14.534 -8.729 16.347 1.00 21.87 0 A 1 +ATOM 1257 C CB . LEU A 1 160 ? 17.607 -8.239 17.430 1.00 12.66 0 A 1 +ATOM 1258 C CG . LEU A 1 160 ? 19.042 -8.755 17.277 1.00 13.90 0 A 1 +ATOM 1259 C CD1 . LEU A 1 160 ? 19.712 -8.790 18.626 1.00 14.44 0 A 1 +ATOM 1260 C CD2 . LEU A 1 160 ? 19.050 -10.140 16.648 1.00 8.80 0 A 1 +ATOM 1261 N N . ILE A 1 161 ? 14.978 -6.586 16.863 1.00 21.24 0 A 1 +ATOM 1262 C CA . ILE A 1 161 ? 13.579 -6.313 17.201 1.00 20.05 0 A 1 +ATOM 1263 C C . ILE A 1 161 ? 12.678 -6.332 15.971 1.00 17.90 0 A 1 +ATOM 1264 O O . ILE A 1 161 ? 11.464 -6.527 16.090 1.00 15.99 0 A 1 +ATOM 1265 C CB . ILE A 1 161 ? 13.388 -4.988 17.990 1.00 15.47 0 A 1 +ATOM 1266 C CG1 . ILE A 1 161 ? 13.787 -3.775 17.144 1.00 17.10 0 A 1 +ATOM 1267 C CG2 . ILE A 1 161 ? 14.181 -5.037 19.285 1.00 10.74 0 A 1 +ATOM 1268 C CD1 . ILE A 1 161 ? 13.656 -2.450 17.877 1.00 13.71 0 A 1 +ATOM 1269 N N . HIS A 1 162 ? 13.264 -6.118 14.793 1.00 17.42 0 A 1 +ATOM 1270 C CA . HIS A 1 162 ? 12.488 -6.155 13.556 1.00 20.75 0 A 1 +ATOM 1271 C C . HIS A 1 162 ? 12.280 -7.595 13.104 1.00 22.73 0 A 1 +ATOM 1272 O O . HIS A 1 162 ? 11.306 -7.896 12.420 1.00 21.43 0 A 1 +ATOM 1273 C CB . HIS A 1 162 ? 13.137 -5.315 12.459 1.00 18.62 0 A 1 +ATOM 1274 C CG . HIS A 1 162 ? 12.784 -3.864 12.537 1.00 20.28 0 A 1 +ATOM 1275 C CD2 . HIS A 1 162 ? 11.745 -3.170 12.012 1.00 14.06 0 A 1 +ATOM 1276 N ND1 . HIS A 1 162 ? 13.518 -2.955 13.265 1.00 16.29 0 A 1 +ATOM 1277 C CE1 . HIS A 1 162 ? 12.948 -1.765 13.191 1.00 14.06 0 A 1 +ATOM 1278 N NE2 . HIS A 1 162 ? 11.871 -1.872 12.435 1.00 10.82 0 A 1 +ATOM 1279 N N . GLU A 1 163 ? 13.209 -8.473 13.480 1.00 17.62 0 A 1 +ATOM 1280 C CA . GLU A 1 163 ? 13.102 -9.892 13.166 1.00 24.14 0 A 1 +ATOM 1281 C C . GLU A 1 163 ? 11.895 -10.415 13.937 1.00 21.50 0 A 1 +ATOM 1282 O O . GLU A 1 163 ? 11.157 -11.269 13.452 1.00 23.44 0 A 1 +ATOM 1283 C CB . GLU A 1 163 ? 14.359 -10.638 13.620 1.00 25.02 0 A 1 +ATOM 1284 C CG . GLU A 1 163 ? 15.385 -10.879 12.527 1.00 32.38 0 A 1 +ATOM 1285 C CD . GLU A 1 163 ? 14.896 -11.866 11.476 1.00 39.96 0 A 1 +ATOM 1286 O OE1 . GLU A 1 163 ? 14.238 -12.862 11.851 1.00 43.34 0 A 1 +ATOM 1287 O OE2 . GLU A 1 163 ? 15.162 -11.646 10.272 1.00 35.46 0 A 1 +ATOM 1288 N N . VAL A 1 164 ? 11.693 -9.871 15.134 1.00 24.17 0 A 1 +ATOM 1289 C CA . VAL A 1 164 ? 10.575 -10.255 15.984 1.00 19.93 0 A 1 +ATOM 1290 C C . VAL A 1 164 ? 9.273 -9.677 15.424 1.00 20.76 0 A 1 +ATOM 1291 O O . VAL A 1 164 ? 8.242 -10.350 15.417 1.00 26.65 0 A 1 +ATOM 1292 C CB . VAL A 1 164 ? 10.775 -9.754 17.440 1.00 22.44 0 A 1 +ATOM 1293 C CG1 . VAL A 1 164 ? 9.558 -10.094 18.297 1.00 16.14 0 A 1 +ATOM 1294 C CG2 . VAL A 1 164 ? 12.035 -10.365 18.041 1.00 14.63 0 A 1 +ATOM 1295 N N . LEU A 1 165 ? 9.330 -8.435 14.946 1.00 19.96 0 A 1 +ATOM 1296 C CA . LEU A 1 165 ? 8.154 -7.767 14.389 1.00 17.74 0 A 1 +ATOM 1297 C C . LEU A 1 165 ? 7.706 -8.388 13.066 1.00 18.72 0 A 1 +ATOM 1298 O O . LEU A 1 165 ? 6.535 -8.718 12.887 1.00 15.88 0 A 1 +ATOM 1299 C CB . LEU A 1 165 ? 8.443 -6.278 14.180 1.00 19.36 0 A 1 +ATOM 1300 C CG . LEU A 1 165 ? 7.319 -5.438 13.569 1.00 22.16 0 A 1 +ATOM 1301 C CD1 . LEU A 1 165 ? 6.193 -5.259 14.570 1.00 13.13 0 A 1 +ATOM 1302 C CD2 . LEU A 1 165 ? 7.861 -4.090 13.140 1.00 15.95 0 A 1 +ATOM 1303 N N . ALA A 1 166 ? 8.649 -8.520 12.142 1.00 18.28 0 A 1 +ATOM 1304 C CA . ALA A 1 166 ? 8.392 -9.085 10.823 1.00 17.97 0 A 1 +ATOM 1305 C C . ALA A 1 166 ? 9.403 -10.199 10.566 1.00 19.36 0 A 1 +ATOM 1306 O O . ALA A 1 166 ? 10.457 -9.967 9.973 1.00 27.25 0 A 1 +ATOM 1307 C CB . ALA A 1 166 ? 8.519 -7.999 9.758 1.00 15.80 0 A 1 +ATOM 1308 N N . PRO A 1 167 ? 9.104 -11.420 11.045 1.00 21.81 0 A 1 +ATOM 1309 C CA . PRO A 1 167 ? 9.986 -12.581 10.873 1.00 22.48 0 A 1 +ATOM 1310 C C . PRO A 1 167 ? 10.393 -12.789 9.417 1.00 25.49 0 A 1 +ATOM 1311 O O . PRO A 1 167 ? 9.550 -12.802 8.519 1.00 29.29 0 A 1 +ATOM 1312 C CB . PRO A 1 167 ? 9.124 -13.733 11.389 1.00 20.23 0 A 1 +ATOM 1313 C CG . PRO A 1 167 ? 8.316 -13.082 12.462 1.00 12.89 0 A 1 +ATOM 1314 C CD . PRO A 1 167 ? 7.894 -11.792 11.798 1.00 17.95 0 A 1 +ATOM 1315 N N . GLY A 1 168 ? 11.696 -12.906 9.190 1.00 25.81 0 A 1 +ATOM 1316 C CA . GLY A 1 168 ? 12.200 -13.110 7.847 1.00 21.82 0 A 1 +ATOM 1317 C C . GLY A 1 168 ? 12.401 -11.847 7.030 1.00 20.75 0 A 1 +ATOM 1318 O O . GLY A 1 168 ? 12.748 -11.929 5.855 1.00 21.49 0 A 1 +ATOM 1319 N N . CYS A 1 169 ? 12.193 -10.679 7.636 1.00 21.15 0 A 1 +ATOM 1320 C CA . CYS A 1 169 ? 12.371 -9.410 6.925 1.00 21.47 0 A 1 +ATOM 1321 C C . CYS A 1 169 ? 13.805 -9.218 6.419 1.00 23.12 0 A 1 +ATOM 1322 O O . CYS A 1 169 ? 14.038 -8.450 5.489 1.00 29.31 0 A 1 +ATOM 1323 C CB . CYS A 1 169 ? 11.966 -8.223 7.813 1.00 18.54 0 A 1 +ATOM 1324 S SG . CYS A 1 169 ? 12.993 -7.986 9.287 1.00 16.50 0 A 1 +ATOM 1325 N N . LEU A 1 170 ? 14.758 -9.917 7.035 1.00 21.97 0 A 1 +ATOM 1326 C CA . LEU A 1 170 ? 16.168 -9.838 6.645 1.00 19.55 0 A 1 +ATOM 1327 C C . LEU A 1 170 ? 16.587 -10.837 5.561 1.00 20.60 0 A 1 +ATOM 1328 O O . LEU A 1 170 ? 17.747 -10.845 5.142 1.00 22.79 0 A 1 +ATOM 1329 C CB . LEU A 1 170 ? 17.069 -10.023 7.868 1.00 17.85 0 A 1 +ATOM 1330 C CG . LEU A 1 170 ? 17.552 -8.773 8.608 1.00 15.57 0 A 1 +ATOM 1331 C CD1 . LEU A 1 170 ? 16.385 -7.864 8.965 1.00 7.75 0 A 1 +ATOM 1332 C CD2 . LEU A 1 170 ? 18.319 -9.194 9.853 1.00 4.59 0 A 1 +ATOM 1333 N N . ASP A 1 171 ? 15.654 -11.679 5.119 1.00 21.29 0 A 1 +ATOM 1334 C CA . ASP A 1 171 ? 15.938 -12.684 4.091 1.00 22.57 0 A 1 +ATOM 1335 C C . ASP A 1 171 ? 16.437 -12.059 2.796 1.00 25.88 0 A 1 +ATOM 1336 O O . ASP A 1 171 ? 17.368 -12.568 2.170 1.00 28.80 0 A 1 +ATOM 1337 C CB . ASP A 1 171 ? 14.692 -13.525 3.797 1.00 29.10 0 A 1 +ATOM 1338 C CG . ASP A 1 171 ? 14.366 -14.510 4.906 1.00 28.36 0 A 1 +ATOM 1339 O OD1 . ASP A 1 171 ? 15.242 -14.771 5.762 1.00 30.27 0 A 1 +ATOM 1340 O OD2 . ASP A 1 171 ? 13.229 -15.034 4.910 1.00 30.48 0 A 1 +ATOM 1341 N N . ALA A 1 172 ? 15.827 -10.941 2.416 1.00 24.73 0 A 1 +ATOM 1342 C CA . ALA A 1 172 ? 16.192 -10.225 1.198 1.00 29.00 0 A 1 +ATOM 1343 C C . ALA A 1 172 ? 17.515 -9.465 1.289 1.00 23.65 0 A 1 +ATOM 1344 O O . ALA A 1 172 ? 17.976 -8.899 0.298 1.00 23.50 0 A 1 +ATOM 1345 C CB . ALA A 1 172 ? 15.073 -9.267 0.816 1.00 32.03 0 A 1 +ATOM 1346 N N . PHE A 1 173 ? 18.133 -9.461 2.469 1.00 25.82 0 A 1 +ATOM 1347 C CA . PHE A 1 173 ? 19.388 -8.742 2.672 1.00 22.53 0 A 1 +ATOM 1348 C C . PHE A 1 173 ? 20.503 -9.646 3.186 1.00 18.15 0 A 1 +ATOM 1349 O O . PHE A 1 173 ? 20.754 -9.716 4.389 1.00 22.08 0 A 1 +ATOM 1350 C CB . PHE A 1 173 ? 19.161 -7.575 3.639 1.00 19.01 0 A 1 +ATOM 1351 C CG . PHE A 1 173 ? 18.082 -6.626 3.198 1.00 19.17 0 A 1 +ATOM 1352 C CD1 . PHE A 1 173 ? 18.353 -5.626 2.270 1.00 21.07 0 A 1 +ATOM 1353 C CD2 . PHE A 1 173 ? 16.783 -6.759 3.681 1.00 20.84 0 A 1 +ATOM 1354 C CE1 . PHE A 1 173 ? 17.346 -4.768 1.829 1.00 17.13 0 A 1 +ATOM 1355 C CE2 . PHE A 1 173 ? 15.767 -5.907 3.247 1.00 15.16 0 A 1 +ATOM 1356 C CZ . PHE A 1 173 ? 16.050 -4.911 2.317 1.00 20.57 0 A 1 +ATOM 1357 N N . PRO A 1 174 ? 21.226 -10.308 2.266 1.00 17.65 0 A 1 +ATOM 1358 C CA . PRO A 1 174 ? 22.326 -11.221 2.597 1.00 18.87 0 A 1 +ATOM 1359 C C . PRO A 1 174 ? 23.421 -10.678 3.514 1.00 18.32 0 A 1 +ATOM 1360 O O . PRO A 1 174 ? 23.911 -11.401 4.380 1.00 24.48 0 A 1 +ATOM 1361 C CB . PRO A 1 174 ? 22.867 -11.624 1.221 1.00 21.61 0 A 1 +ATOM 1362 C CG . PRO A 1 174 ? 22.428 -10.507 0.318 1.00 23.67 0 A 1 +ATOM 1363 C CD . PRO A 1 174 ? 21.052 -10.214 0.808 1.00 15.50 0 A 1 +ATOM 1364 N N . LEU A 1 175 ? 23.812 -9.421 3.320 1.00 20.19 0 A 1 +ATOM 1365 C CA . LEU A 1 175 ? 24.853 -8.810 4.147 1.00 16.90 0 A 1 +ATOM 1366 C C . LEU A 1 175 ? 24.374 -8.521 5.573 1.00 18.86 0 A 1 +ATOM 1367 O O . LEU A 1 175 ? 25.099 -8.764 6.536 1.00 23.56 0 A 1 +ATOM 1368 C CB . LEU A 1 175 ? 25.387 -7.538 3.486 1.00 19.46 0 A 1 +ATOM 1369 C CG . LEU A 1 175 ? 26.597 -7.654 2.549 1.00 24.93 0 A 1 +ATOM 1370 C CD1 . LEU A 1 175 ? 26.691 -9.025 1.906 1.00 16.40 0 A 1 +ATOM 1371 C CD2 . LEU A 1 175 ? 26.524 -6.570 1.501 1.00 10.60 0 A 1 +ATOM 1372 N N . LEU A 1 176 ? 23.151 -8.015 5.706 1.00 18.17 0 A 1 +ATOM 1373 C CA . LEU A 1 176 ? 22.601 -7.726 7.025 1.00 18.84 0 A 1 +ATOM 1374 C C . LEU A 1 176 ? 22.419 -9.024 7.810 1.00 17.79 0 A 1 +ATOM 1375 O O . LEU A 1 176 ? 22.737 -9.080 8.997 1.00 22.22 0 A 1 +ATOM 1376 C CB . LEU A 1 176 ? 21.270 -6.976 6.917 1.00 14.67 0 A 1 +ATOM 1377 C CG . LEU A 1 176 ? 21.346 -5.504 6.497 1.00 17.03 0 A 1 +ATOM 1378 C CD1 . LEU A 1 176 ? 19.948 -4.931 6.360 1.00 12.88 0 A 1 +ATOM 1379 C CD2 . LEU A 1 176 ? 22.152 -4.707 7.510 1.00 17.88 0 A 1 +ATOM 1380 N N . SER A 1 177 ? 21.942 -10.070 7.134 1.00 16.53 0 A 1 +ATOM 1381 C CA . SER A 1 177 ? 21.735 -11.376 7.763 1.00 17.49 0 A 1 +ATOM 1382 C C . SER A 1 177 ? 23.046 -11.955 8.289 1.00 19.10 0 A 1 +ATOM 1383 O O . SER A 1 177 ? 23.110 -12.438 9.423 1.00 24.24 0 A 1 +ATOM 1384 C CB . SER A 1 177 ? 21.107 -12.356 6.773 1.00 15.49 0 A 1 +ATOM 1385 O OG . SER A 1 177 ? 19.812 -11.933 6.397 1.00 24.92 0 A 1 +ATOM 1386 N N . ALA A 1 178 ? 24.087 -11.909 7.462 1.00 13.97 0 A 1 +ATOM 1387 C CA . ALA A 1 178 ? 25.392 -12.423 7.865 1.00 19.98 0 A 1 +ATOM 1388 C C . ALA A 1 178 ? 25.938 -11.572 9.010 1.00 15.98 0 A 1 +ATOM 1389 O O . ALA A 1 178 ? 26.549 -12.088 9.946 1.00 19.18 0 A 1 +ATOM 1390 C CB . ALA A 1 178 ? 26.355 -12.398 6.684 1.00 15.35 0 A 1 +ATOM 1391 N N . TYR A 1 179 ? 25.713 -10.262 8.912 1.00 19.34 0 A 1 +ATOM 1392 C CA . TYR A 1 179 ? 26.153 -9.289 9.909 1.00 13.77 0 A 1 +ATOM 1393 C C . TYR A 1 179 ? 25.547 -9.630 11.271 1.00 13.15 0 A 1 +ATOM 1394 O O . TYR A 1 179 ? 26.266 -9.713 12.269 1.00 19.66 0 A 1 +ATOM 1395 C CB . TYR A 1 179 ? 25.733 -7.889 9.447 1.00 16.41 0 A 1 +ATOM 1396 C CG . TYR A 1 179 ? 25.950 -6.759 10.430 1.00 14.15 0 A 1 +ATOM 1397 C CD1 . TYR A 1 179 ? 27.218 -6.215 10.639 1.00 13.75 0 A 1 +ATOM 1398 C CD2 . TYR A 1 179 ? 24.871 -6.191 11.106 1.00 14.80 0 A 1 +ATOM 1399 C CE1 . TYR A 1 179 ? 27.401 -5.124 11.495 1.00 16.00 0 A 1 +ATOM 1400 C CE2 . TYR A 1 179 ? 25.043 -5.108 11.961 1.00 22.35 0 A 1 +ATOM 1401 C CZ . TYR A 1 179 ? 26.306 -4.578 12.151 1.00 20.37 0 A 1 +ATOM 1402 O OH . TYR A 1 179 ? 26.461 -3.498 12.990 1.00 16.77 0 A 1 +ATOM 1403 N N . VAL A 1 180 ? 24.236 -9.866 11.291 1.00 14.44 0 A 1 +ATOM 1404 C CA . VAL A 1 180 ? 23.515 -10.225 12.511 1.00 13.14 0 A 1 +ATOM 1405 C C . VAL A 1 180 ? 24.049 -11.533 13.104 1.00 16.32 0 A 1 +ATOM 1406 O O . VAL A 1 180 ? 24.326 -11.605 14.299 1.00 20.10 0 A 1 +ATOM 1407 C CB . VAL A 1 180 ? 21.992 -10.363 12.249 1.00 18.70 0 A 1 +ATOM 1408 C CG1 . VAL A 1 180 ? 21.289 -10.990 13.449 1.00 19.49 0 A 1 +ATOM 1409 C CG2 . VAL A 1 180 ? 21.395 -9.008 11.960 1.00 16.72 0 A 1 +ATOM 1410 N N . GLY A 1 181 ? 24.214 -12.554 12.263 1.00 13.08 0 A 1 +ATOM 1411 C CA . GLY A 1 181 ? 24.720 -13.831 12.737 1.00 15.06 0 A 1 +ATOM 1412 C C . GLY A 1 181 ? 26.131 -13.720 13.288 1.00 15.30 0 A 1 +ATOM 1413 O O . GLY A 1 181 ? 26.453 -14.290 14.331 1.00 22.69 0 A 1 +ATOM 1414 N N . ARG A 1 182 ? 26.963 -12.951 12.596 1.00 19.09 0 A 1 +ATOM 1415 C CA . ARG A 1 182 ? 28.350 -12.743 12.981 1.00 20.34 0 A 1 +ATOM 1416 C C . ARG A 1 182 ? 28.482 -12.033 14.334 1.00 23.71 0 A 1 +ATOM 1417 O O . ARG A 1 182 ? 29.239 -12.474 15.204 1.00 29.48 0 A 1 +ATOM 1418 C CB . ARG A 1 182 ? 29.061 -11.936 11.895 1.00 20.24 0 A 1 +ATOM 1419 C CG . ARG A 1 182 ? 30.575 -11.862 12.029 1.00 24.56 0 A 1 +ATOM 1420 C CD . ARG A 1 182 ? 31.154 -10.905 10.993 1.00 28.95 0 A 1 +ATOM 1421 N NE . ARG A 1 182 ? 30.577 -11.137 9.675 1.00 29.43 0 A 1 +ATOM 1422 C CZ . ARG A 1 182 ? 29.982 -10.204 8.938 1.00 30.47 0 A 1 +ATOM 1423 N NH1 . ARG A 1 182 ? 29.886 -8.954 9.369 1.00 24.53 0 A 1 +ATOM 1424 N NH2 . ARG A 1 182 ? 29.424 -10.540 7.786 1.00 32.56 0 A 1 +ATOM 1425 N N . LEU A 1 183 ? 27.754 -10.931 14.507 1.00 21.93 0 A 1 +ATOM 1426 C CA . LEU A 1 183 ? 27.813 -10.182 15.762 1.00 20.84 0 A 1 +ATOM 1427 C C . LEU A 1 183 ? 27.200 -10.962 16.926 1.00 21.95 0 A 1 +ATOM 1428 O O . LEU A 1 183 ? 27.736 -10.949 18.032 1.00 17.73 0 A 1 +ATOM 1429 C CB . LEU A 1 183 ? 27.141 -8.813 15.621 1.00 16.60 0 A 1 +ATOM 1430 C CG . LEU A 1 183 ? 27.844 -7.758 14.758 1.00 21.30 0 A 1 +ATOM 1431 C CD1 . LEU A 1 183 ? 27.252 -6.391 15.057 1.00 16.93 0 A 1 +ATOM 1432 C CD2 . LEU A 1 183 ? 29.336 -7.732 15.045 1.00 20.76 0 A 1 +ATOM 1433 N N . SER A 1 184 ? 26.090 -11.650 16.661 1.00 20.77 0 A 1 +ATOM 1434 C CA . SER A 1 184 ? 25.405 -12.458 17.666 1.00 17.87 0 A 1 +ATOM 1435 C C . SER A 1 184 ? 26.284 -13.607 18.155 1.00 22.67 0 A 1 +ATOM 1436 O O . SER A 1 184 ? 25.998 -14.209 19.194 1.00 23.53 0 A 1 +ATOM 1437 C CB . SER A 1 184 ? 24.118 -13.055 17.089 1.00 15.77 0 A 1 +ATOM 1438 O OG . SER A 1 184 ? 23.195 -12.052 16.720 1.00 20.71 0 A 1 +ATOM 1439 N N . ALA A 1 185 ? 27.334 -13.917 17.395 1.00 20.11 0 A 1 +ATOM 1440 C CA . ALA A 1 185 ? 28.244 -15.008 17.733 1.00 24.80 0 A 1 +ATOM 1441 C C . ALA A 1 185 ? 29.406 -14.603 18.636 1.00 23.83 0 A 1 +ATOM 1442 O O . ALA A 1 185 ? 30.141 -15.462 19.126 1.00 25.96 0 A 1 +ATOM 1443 C CB . ALA A 1 185 ? 28.772 -15.663 16.461 1.00 20.49 0 A 1 +ATOM 1444 N N . ARG A 1 186 ? 29.591 -13.302 18.841 1.00 24.54 0 A 1 +ATOM 1445 C CA . ARG A 1 186 ? 30.670 -12.824 19.702 1.00 23.60 0 A 1 +ATOM 1446 C C . ARG A 1 186 ? 30.437 -13.421 21.092 1.00 25.71 0 A 1 +ATOM 1447 O O . ARG A 1 186 ? 29.338 -13.329 21.632 1.00 26.85 0 A 1 +ATOM 1448 C CB . ARG A 1 186 ? 30.678 -11.294 19.734 1.00 20.03 0 A 1 +ATOM 1449 C CG . ARG A 1 186 ? 30.950 -10.678 18.362 1.00 23.55 0 A 1 +ATOM 1450 C CD . ARG A 1 186 ? 30.751 -9.165 18.340 1.00 23.99 0 A 1 +ATOM 1451 N NE . ARG A 1 186 ? 31.630 -8.475 19.278 1.00 26.93 0 A 1 +ATOM 1452 C CZ . ARG A 1 186 ? 32.867 -8.070 19.000 1.00 24.96 0 A 1 +ATOM 1453 N NH1 . ARG A 1 186 ? 33.390 -8.268 17.797 1.00 14.84 0 A 1 +ATOM 1454 N NH2 . ARG A 1 186 ? 33.580 -7.452 19.929 1.00 20.88 0 A 1 +ATOM 1455 N N . PRO A 1 187 ? 31.467 -14.067 21.668 1.00 29.00 0 A 1 +ATOM 1456 C CA . PRO A 1 187 ? 31.462 -14.723 22.984 1.00 25.00 0 A 1 +ATOM 1457 C C . PRO A 1 187 ? 30.621 -14.082 24.097 1.00 21.43 0 A 1 +ATOM 1458 O O . PRO A 1 187 ? 29.605 -14.650 24.519 1.00 27.36 0 A 1 +ATOM 1459 C CB . PRO A 1 187 ? 32.944 -14.761 23.339 1.00 28.54 0 A 1 +ATOM 1460 C CG . PRO A 1 187 ? 33.573 -15.001 22.018 1.00 25.97 0 A 1 +ATOM 1461 C CD . PRO A 1 187 ? 32.836 -14.028 21.121 1.00 29.13 0 A 1 +ATOM 1462 N N . LYS A 1 188 ? 31.047 -12.910 24.567 1.00 21.27 0 A 1 +ATOM 1463 C CA . LYS A 1 188 ? 30.346 -12.198 25.636 1.00 17.31 0 A 1 +ATOM 1464 C C . LYS A 1 188 ? 28.930 -11.764 25.267 1.00 11.65 0 A 1 +ATOM 1465 O O . LYS A 1 188 ? 28.028 -11.812 26.105 1.00 15.31 0 A 1 +ATOM 1466 C CB . LYS A 1 188 ? 31.165 -10.994 26.095 1.00 17.22 0 A 1 +ATOM 1467 C CG . LYS A 1 188 ? 32.523 -11.372 26.653 1.00 22.48 0 A 1 +ATOM 1468 C CD . LYS A 1 188 ? 33.392 -10.154 26.897 1.00 26.92 0 A 1 +ATOM 1469 C CE . LYS A 1 188 ? 34.796 -10.565 27.302 1.00 28.00 0 A 1 +ATOM 1470 N NZ . LYS A 1 188 ? 34.766 -11.441 28.509 1.00 40.95 0 A 1 +ATOM 1471 N N . LEU A 1 189 ? 28.733 -11.367 24.012 1.00 17.09 0 A 1 +ATOM 1472 C CA . LEU A 1 189 ? 27.420 -10.930 23.537 1.00 17.37 0 A 1 +ATOM 1473 C C . LEU A 1 189 ? 26.445 -12.096 23.449 1.00 18.18 0 A 1 +ATOM 1474 O O . LEU A 1 189 ? 25.268 -11.956 23.786 1.00 18.77 0 A 1 +ATOM 1475 C CB . LEU A 1 189 ? 27.535 -10.271 22.160 1.00 17.30 0 A 1 +ATOM 1476 C CG . LEU A 1 189 ? 26.811 -8.942 21.938 1.00 24.75 0 A 1 +ATOM 1477 C CD1 . LEU A 1 189 ? 26.780 -8.646 20.451 1.00 17.09 0 A 1 +ATOM 1478 C CD2 . LEU A 1 189 ? 25.402 -8.982 22.493 1.00 13.56 0 A 1 +ATOM 1479 N N . LYS A 1 190 ? 26.941 -13.238 22.976 1.00 19.19 0 A 1 +ATOM 1480 C CA . LYS A 1 190 ? 26.128 -14.445 22.838 1.00 16.19 0 A 1 +ATOM 1481 C C . LYS A 1 190 ? 25.623 -14.899 24.203 1.00 12.05 0 A 1 +ATOM 1482 O O . LYS A 1 190 ? 24.449 -15.241 24.355 1.00 18.11 0 A 1 +ATOM 1483 C CB . LYS A 1 190 ? 26.936 -15.569 22.187 1.00 20.88 0 A 1 +ATOM 1484 C CG . LYS A 1 190 ? 26.124 -16.825 21.959 1.00 21.24 0 A 1 +ATOM 1485 C CD . LYS A 1 190 ? 26.974 -17.943 21.419 1.00 29.87 0 A 1 +ATOM 1486 C CE . LYS A 1 190 ? 26.130 -19.186 21.199 1.00 33.81 0 A 1 +ATOM 1487 N NZ . LYS A 1 190 ? 26.952 -20.310 20.677 1.00 40.95 0 A 1 +ATOM 1488 N N . ALA A 1 191 ? 26.522 -14.886 25.187 1.00 15.48 0 A 1 +ATOM 1489 C CA . ALA A 1 191 ? 26.197 -15.275 26.558 1.00 18.01 0 A 1 +ATOM 1490 C C . ALA A 1 191 ? 25.126 -14.342 27.125 1.00 19.74 0 A 1 +ATOM 1491 O O . ALA A 1 191 ? 24.137 -14.797 27.704 1.00 25.31 0 A 1 +ATOM 1492 C CB . ALA A 1 191 ? 27.451 -15.229 27.418 1.00 11.01 0 A 1 +ATOM 1493 N N . PHE A 1 192 ? 25.310 -13.040 26.913 1.00 22.61 0 A 1 +ATOM 1494 C CA . PHE A 1 192 ? 24.362 -12.033 27.392 1.00 16.07 0 A 1 +ATOM 1495 C C . PHE A 1 192 ? 22.983 -12.159 26.746 1.00 13.15 0 A 1 +ATOM 1496 O O . PHE A 1 192 ? 21.969 -12.084 27.434 1.00 18.82 0 A 1 +ATOM 1497 C CB . PHE A 1 192 ? 24.919 -10.616 27.172 1.00 17.26 0 A 1 +ATOM 1498 C CG . PHE A 1 192 ? 23.961 -9.517 27.558 1.00 15.92 0 A 1 +ATOM 1499 C CD1 . PHE A 1 192 ? 23.748 -9.200 28.897 1.00 13.23 0 A 1 +ATOM 1500 C CD2 . PHE A 1 192 ? 23.250 -8.820 26.584 1.00 15.55 0 A 1 +ATOM 1501 C CE1 . PHE A 1 192 ? 22.840 -8.208 29.261 1.00 13.95 0 A 1 +ATOM 1502 C CE2 . PHE A 1 192 ? 22.339 -7.826 26.937 1.00 15.72 0 A 1 +ATOM 1503 C CZ . PHE A 1 192 ? 22.133 -7.520 28.280 1.00 11.02 0 A 1 +ATOM 1504 N N . LEU A 1 193 ? 22.946 -12.350 25.430 1.00 12.91 0 A 1 +ATOM 1505 C CA . LEU A 1 193 ? 21.676 -12.472 24.714 1.00 13.04 0 A 1 +ATOM 1506 C C . LEU A 1 193 ? 20.875 -13.703 25.121 1.00 15.69 0 A 1 +ATOM 1507 O O . LEU A 1 193 ? 19.658 -13.741 24.947 1.00 18.53 0 A 1 +ATOM 1508 C CB . LEU A 1 193 ? 21.903 -12.477 23.198 1.00 9.91 0 A 1 +ATOM 1509 C CG . LEU A 1 193 ? 22.401 -11.172 22.576 1.00 12.89 0 A 1 +ATOM 1510 C CD1 . LEU A 1 193 ? 22.690 -11.381 21.100 1.00 9.28 0 A 1 +ATOM 1511 C CD2 . LEU A 1 193 ? 21.369 -10.074 22.768 1.00 7.61 0 A 1 +ATOM 1512 N N . ALA A 1 194 ? 21.557 -14.699 25.676 1.00 17.81 0 A 1 +ATOM 1513 C CA . ALA A 1 194 ? 20.897 -15.928 26.099 1.00 16.79 0 A 1 +ATOM 1514 C C . ALA A 1 194 ? 20.485 -15.922 27.572 1.00 21.07 0 A 1 +ATOM 1515 O O . ALA A 1 194 ? 19.689 -16.761 27.993 1.00 22.26 0 A 1 +ATOM 1516 C CB . ALA A 1 194 ? 21.795 -17.124 25.811 1.00 13.98 0 A 1 +ATOM 1517 N N . SER A 1 195 ? 21.010 -14.967 28.339 1.00 20.79 0 A 1 +ATOM 1518 C CA . SER A 1 195 ? 20.725 -14.857 29.776 1.00 17.94 0 A 1 +ATOM 1519 C C . SER A 1 195 ? 19.299 -14.406 30.112 1.00 20.92 0 A 1 +ATOM 1520 O O . SER A 1 195 ? 18.633 -13.767 29.298 1.00 22.44 0 A 1 +ATOM 1521 C CB . SER A 1 195 ? 21.724 -13.899 30.429 1.00 14.00 0 A 1 +ATOM 1522 O OG . SER A 1 195 ? 21.421 -12.548 30.115 1.00 19.24 0 A 1 +ATOM 1523 N N . PRO A 1 196 ? 18.820 -14.733 31.332 1.00 22.11 0 A 1 +ATOM 1524 C CA . PRO A 1 196 ? 17.472 -14.362 31.795 1.00 21.05 0 A 1 +ATOM 1525 C C . PRO A 1 196 ? 17.343 -12.843 31.883 1.00 24.02 0 A 1 +ATOM 1526 O O . PRO A 1 196 ? 16.266 -12.277 31.687 1.00 24.92 0 A 1 +ATOM 1527 C CB . PRO A 1 196 ? 17.414 -14.980 33.196 1.00 20.75 0 A 1 +ATOM 1528 C CG . PRO A 1 196 ? 18.372 -16.125 33.115 1.00 18.33 0 A 1 +ATOM 1529 C CD . PRO A 1 196 ? 19.517 -15.528 32.353 1.00 14.63 0 A 1 +ATOM 1530 N N . GLU A 1 197 ? 18.467 -12.206 32.196 1.00 18.45 0 A 1 +ATOM 1531 C CA . GLU A 1 197 ? 18.591 -10.759 32.328 1.00 23.07 0 A 1 +ATOM 1532 C C . GLU A 1 197 ? 18.065 -10.048 31.080 1.00 23.66 0 A 1 +ATOM 1533 O O . GLU A 1 197 ? 17.408 -9.007 31.169 1.00 14.04 0 A 1 +ATOM 1534 C CB . GLU A 1 197 ? 20.067 -10.439 32.517 1.00 25.47 0 A 1 +ATOM 1535 C CG . GLU A 1 197 ? 20.387 -9.061 33.008 1.00 29.12 0 A 1 +ATOM 1536 C CD . GLU A 1 197 ? 21.879 -8.869 33.215 1.00 27.91 0 A 1 +ATOM 1537 O OE1 . GLU A 1 197 ? 22.582 -9.848 33.558 1.00 28.23 0 A 1 +ATOM 1538 O OE2 . GLU A 1 197 ? 22.359 -7.736 33.025 1.00 28.98 0 A 1 +ATOM 1539 N N . TYR A 1 198 ? 18.368 -10.627 29.921 1.00 26.34 0 A 1 +ATOM 1540 C CA . TYR A 1 198 ? 17.945 -10.092 28.634 1.00 19.93 0 A 1 +ATOM 1541 C C . TYR A 1 198 ? 16.641 -10.738 28.163 1.00 16.88 0 A 1 +ATOM 1542 O O . TYR A 1 198 ? 15.644 -10.053 27.929 1.00 16.68 0 A 1 +ATOM 1543 C CB . TYR A 1 198 ? 19.059 -10.318 27.595 1.00 15.44 0 A 1 +ATOM 1544 C CG . TYR A 1 198 ? 18.697 -9.913 26.178 1.00 13.26 0 A 1 +ATOM 1545 C CD1 . TYR A 1 198 ? 18.924 -8.613 25.720 1.00 7.00 0 A 1 +ATOM 1546 C CD2 . TYR A 1 198 ? 18.109 -10.826 25.300 1.00 22.20 0 A 1 +ATOM 1547 C CE1 . TYR A 1 198 ? 18.567 -8.233 24.423 1.00 17.77 0 A 1 +ATOM 1548 C CE2 . TYR A 1 198 ? 17.752 -10.459 24.010 1.00 22.62 0 A 1 +ATOM 1549 C CZ . TYR A 1 198 ? 17.981 -9.163 23.577 1.00 21.82 0 A 1 +ATOM 1550 O OH . TYR A 1 198 ? 17.608 -8.801 22.305 1.00 21.68 0 A 1 +ATOM 1551 N N . VAL A 1 199 ? 16.660 -12.063 28.048 1.00 19.25 0 A 1 +ATOM 1552 C CA . VAL A 1 199 ? 15.518 -12.845 27.577 1.00 21.89 0 A 1 +ATOM 1553 C C . VAL A 1 199 ? 14.191 -12.642 28.301 1.00 23.26 0 A 1 +ATOM 1554 O O . VAL A 1 199 ? 13.144 -12.566 27.661 1.00 21.82 0 A 1 +ATOM 1555 C CB . VAL A 1 199 ? 15.863 -14.360 27.559 1.00 21.45 0 A 1 +ATOM 1556 C CG1 . VAL A 1 199 ? 14.647 -15.186 27.192 1.00 20.93 0 A 1 +ATOM 1557 C CG2 . VAL A 1 199 ? 16.992 -14.625 26.577 1.00 19.98 0 A 1 +ATOM 1558 N N . ASN A 1 200 ? 14.224 -12.534 29.626 1.00 23.60 0 A 1 +ATOM 1559 C CA . ASN A 1 200 ? 12.987 -12.388 30.396 1.00 20.85 0 A 1 +ATOM 1560 C C . ASN A 1 200 ? 12.413 -10.980 30.533 1.00 21.30 0 A 1 +ATOM 1561 O O . ASN A 1 200 ? 11.457 -10.756 31.277 1.00 24.67 0 A 1 +ATOM 1562 C CB . ASN A 1 200 ? 13.130 -13.064 31.760 1.00 19.44 0 A 1 +ATOM 1563 C CG . ASN A 1 200 ? 13.303 -14.563 31.640 1.00 22.46 0 A 1 +ATOM 1564 N ND2 . ASN A 1 200 ? 14.106 -15.140 32.523 1.00 21.29 0 A 1 +ATOM 1565 O OD1 . ASN A 1 200 ? 12.738 -15.191 30.744 1.00 31.52 0 A 1 +ATOM 1566 N N . LEU A 1 201 ? 12.986 -10.043 29.790 1.00 20.16 0 A 1 +ATOM 1567 C CA . LEU A 1 201 ? 12.527 -8.663 29.793 1.00 15.39 0 A 1 +ATOM 1568 C C . LEU A 1 201 ? 11.732 -8.437 28.512 1.00 14.41 0 A 1 +ATOM 1569 O O . LEU A 1 201 ? 12.146 -8.880 27.439 1.00 17.44 0 A 1 +ATOM 1570 C CB . LEU A 1 201 ? 13.734 -7.730 29.805 1.00 16.42 0 A 1 +ATOM 1571 C CG . LEU A 1 201 ? 13.899 -6.754 30.964 1.00 18.28 0 A 1 +ATOM 1572 C CD1 . LEU A 1 201 ? 13.669 -7.450 32.294 1.00 16.60 0 A 1 +ATOM 1573 C CD2 . LEU A 1 201 ? 15.289 -6.146 30.895 1.00 11.18 0 A 1 +ATOM 1574 N N . PRO A 1 202 ? 10.548 -7.811 28.609 1.00 13.08 0 A 1 +ATOM 1575 C CA . PRO A 1 202 ? 9.763 -7.568 27.393 1.00 10.35 0 A 1 +ATOM 1576 C C . PRO A 1 202 ? 10.473 -6.499 26.554 1.00 12.51 0 A 1 +ATOM 1577 O O . PRO A 1 202 ? 11.210 -5.676 27.097 1.00 12.21 0 A 1 +ATOM 1578 C CB . PRO A 1 202 ? 8.428 -7.063 27.944 1.00 10.74 0 A 1 +ATOM 1579 C CG . PRO A 1 202 ? 8.824 -6.373 29.207 1.00 15.14 0 A 1 +ATOM 1580 C CD . PRO A 1 202 ? 9.831 -7.328 29.804 1.00 15.53 0 A 1 +ATOM 1581 N N . ILE A 1 203 ? 10.291 -6.535 25.238 1.00 14.64 0 A 1 +ATOM 1582 C CA . ILE A 1 203 ? 10.942 -5.559 24.363 1.00 18.09 0 A 1 +ATOM 1583 C C . ILE A 1 203 ? 10.426 -4.145 24.631 1.00 16.91 0 A 1 +ATOM 1584 O O . ILE A 1 203 ? 11.210 -3.218 24.854 1.00 22.08 0 A 1 +ATOM 1585 C CB . ILE A 1 203 ? 10.748 -5.911 22.858 1.00 12.61 0 A 1 +ATOM 1586 C CG1 . ILE A 1 203 ? 11.470 -7.222 22.533 1.00 14.04 0 A 1 +ATOM 1587 C CG2 . ILE A 1 203 ? 11.290 -4.792 21.975 1.00 12.72 0 A 1 +ATOM 1588 C CD1 . ILE A 1 203 ? 11.310 -7.677 21.095 1.00 7.30 0 A 1 +ATOM 1589 N N . ASN A 1 204 ? 9.104 -4.005 24.642 1.00 22.33 0 A 1 +ATOM 1590 C CA . ASN A 1 204 ? 8.464 -2.718 24.868 1.00 21.65 0 A 1 +ATOM 1591 C C . ASN A 1 204 ? 7.588 -2.685 26.121 1.00 19.86 0 A 1 +ATOM 1592 O O . ASN A 1 204 ? 7.205 -3.725 26.660 1.00 18.10 0 A 1 +ATOM 1593 C CB . ASN A 1 204 ? 7.649 -2.329 23.628 1.00 17.02 0 A 1 +ATOM 1594 C CG . ASN A 1 204 ? 8.483 -2.377 22.354 1.00 11.05 0 A 1 +ATOM 1595 N ND2 . ASN A 1 204 ? 8.087 -3.225 21.414 1.00 13.89 0 A 1 +ATOM 1596 O OD1 . ASN A 1 204 ? 9.494 -1.685 22.239 1.00 18.08 0 A 1 +ATOM 1597 N N . GLY A 1 205 ? 7.276 -1.473 26.569 1.00 23.47 0 A 1 +ATOM 1598 C CA . GLY A 1 205 ? 6.467 -1.289 27.758 1.00 24.35 0 A 1 +ATOM 1599 C C . GLY A 1 205 ? 4.988 -1.609 27.656 1.00 25.35 0 A 1 +ATOM 1600 O O . GLY A 1 205 ? 4.303 -1.633 28.676 1.00 27.32 0 A 1 +ATOM 1601 N N . ASN A 1 206 ? 4.477 -1.855 26.453 1.00 21.34 0 A 1 +ATOM 1602 C CA . ASN A 1 206 ? 3.057 -2.164 26.303 1.00 26.45 0 A 1 +ATOM 1603 C C . ASN A 1 206 ? 2.778 -3.617 25.911 1.00 25.96 0 A 1 +ATOM 1604 O O . ASN A 1 206 ? 1.663 -3.958 25.508 1.00 23.62 0 A 1 +ATOM 1605 C CB . ASN A 1 206 ? 2.381 -1.197 25.319 1.00 22.52 0 A 1 +ATOM 1606 C CG . ASN A 1 206 ? 2.868 -1.369 23.887 1.00 26.83 0 A 1 +ATOM 1607 N ND2 . ASN A 1 206 ? 2.133 -0.798 22.943 1.00 21.32 0 A 1 +ATOM 1608 O OD1 . ASN A 1 206 ? 3.888 -2.011 23.635 1.00 27.57 0 A 1 +ATOM 1609 N N . GLY A 1 207 ? 3.797 -4.466 26.018 1.00 31.10 0 A 1 +ATOM 1610 C CA . GLY A 1 207 ? 3.631 -5.870 25.685 1.00 33.70 0 A 1 +ATOM 1611 C C . GLY A 1 207 ? 3.508 -6.198 24.208 1.00 37.56 0 A 1 +ATOM 1612 O O . GLY A 1 207 ? 3.250 -7.348 23.847 1.00 41.24 0 A 1 +ATOM 1613 N N . LYS A 1 208 ? 3.653 -5.195 23.349 1.00 31.03 0 A 1 +ATOM 1614 C CA . LYS A 1 208 ? 3.575 -5.423 21.910 1.00 26.00 0 A 1 +ATOM 1615 C C . LYS A 1 208 ? 4.988 -5.553 21.353 1.00 27.27 0 A 1 +ATOM 1616 O O . LYS A 1 208 ? 5.931 -5.001 21.911 1.00 28.52 0 A 1 +ATOM 1617 C CB . LYS A 1 208 ? 2.811 -4.289 21.225 1.00 25.43 0 A 1 +ATOM 1618 C CG . LYS A 1 208 ? 1.361 -4.209 21.667 1.00 28.43 0 A 1 +ATOM 1619 C CD . LYS A 1 208 ? 0.615 -3.101 20.964 1.00 34.32 0 A 1 +ATOM 1620 C CE . LYS A 1 208 ? -0.821 -3.047 21.443 1.00 37.63 0 A 1 +ATOM 1621 N NZ . LYS A 1 208 ? -1.594 -1.975 20.764 1.00 33.62 0 A 1 +ATOM 1622 N N . GLN A 1 209 ? 5.132 -6.327 20.283 1.00 28.60 0 A 1 +ATOM 1623 C CA . GLN A 1 209 ? 6.428 -6.558 19.650 1.00 22.79 0 A 1 +ATOM 1624 C C . GLN A 1 209 ? 6.266 -7.178 18.260 1.00 23.91 0 A 1 +ATOM 1625 O O . GLN A 1 209 ? 7.299 -7.477 17.618 1.00 22.09 0 A 1 +ATOM 1626 C CB . GLN A 1 209 ? 7.263 -7.493 20.517 1.00 17.68 0 A 1 +ATOM 1627 C CG . GLN A 1 209 ? 6.518 -8.755 20.919 1.00 18.20 0 A 1 +ATOM 1628 C CD . GLN A 1 209 ? 7.415 -9.783 21.547 1.00 24.76 0 A 1 +ATOM 1629 N NE2 . GLN A 1 209 ? 7.366 -11.004 21.011 1.00 26.25 0 A 1 +ATOM 1630 O OE1 . GLN A 1 209 ? 8.145 -9.501 22.493 1.00 35.06 0 A 1 +ATOM 1631 O OXT . GLN A 1 209 ? 5.111 -7.365 17.827 1.00 24.47 0 A 1 +ATOM 1632 N N . PRO B 1 2 ? 36.456 22.522 0.112 1.00 43.81 0 B 1 +ATOM 1633 C CA . PRO B 1 2 ? 35.928 23.163 1.346 1.00 35.84 0 B 1 +ATOM 1634 C C . PRO B 1 2 ? 34.592 22.500 1.704 1.00 28.81 0 B 1 +ATOM 1635 O O . PRO B 1 2 ? 34.476 21.270 1.661 1.00 26.75 0 B 1 +ATOM 1636 C CB . PRO B 1 2 ? 35.742 24.637 1.013 1.00 42.67 0 B 1 +ATOM 1637 C CG . PRO B 1 2 ? 35.408 24.539 -0.468 1.00 47.29 0 B 1 +ATOM 1638 C CD . PRO B 1 2 ? 36.297 23.435 -1.037 1.00 48.49 0 B 1 +ATOM 1639 N N . TYR B 1 3 ? 33.580 23.312 2.002 1.00 19.91 0 B 1 +ATOM 1640 C CA . TYR B 1 3 ? 32.265 22.800 2.366 1.00 21.23 0 B 1 +ATOM 1641 C C . TYR B 1 3 ? 31.201 23.090 1.321 1.00 17.17 0 B 1 +ATOM 1642 O O . TYR B 1 3 ? 31.216 24.134 0.668 1.00 22.49 0 B 1 +ATOM 1643 C CB . TYR B 1 3 ? 31.815 23.414 3.689 1.00 18.07 0 B 1 +ATOM 1644 C CG . TYR B 1 3 ? 32.793 23.230 4.822 1.00 15.63 0 B 1 +ATOM 1645 C CD1 . TYR B 1 3 ? 33.159 21.957 5.265 1.00 16.43 0 B 1 +ATOM 1646 C CD2 . TYR B 1 3 ? 33.345 24.335 5.464 1.00 13.07 0 B 1 +ATOM 1647 C CE1 . TYR B 1 3 ? 34.056 21.799 6.325 1.00 15.65 0 B 1 +ATOM 1648 C CE2 . TYR B 1 3 ? 34.236 24.189 6.519 1.00 17.20 0 B 1 +ATOM 1649 C CZ . TYR B 1 3 ? 34.590 22.926 6.945 1.00 20.15 0 B 1 +ATOM 1650 O OH . TYR B 1 3 ? 35.492 22.800 7.974 1.00 22.06 0 B 1 +ATOM 1651 N N . THR B 1 4 ? 30.243 22.177 1.221 1.00 18.06 0 B 1 +ATOM 1652 C CA . THR B 1 4 ? 29.132 22.312 0.292 1.00 17.66 0 B 1 +ATOM 1653 C C . THR B 1 4 ? 27.886 21.755 0.964 1.00 19.05 0 B 1 +ATOM 1654 O O . THR B 1 4 ? 27.889 20.616 1.428 1.00 14.17 0 B 1 +ATOM 1655 C CB . THR B 1 4 ? 29.367 21.502 -1.009 1.00 22.48 0 B 1 +ATOM 1656 C CG2 . THR B 1 4 ? 28.206 21.693 -1.981 1.00 20.92 0 B 1 +ATOM 1657 O OG1 . THR B 1 4 ? 30.582 21.927 -1.632 1.00 27.68 0 B 1 +ATOM 1658 N N . VAL B 1 5 ? 26.843 22.569 1.075 1.00 21.39 0 B 1 +ATOM 1659 C CA . VAL B 1 5 ? 25.602 22.085 1.658 1.00 18.92 0 B 1 +ATOM 1660 C C . VAL B 1 5 ? 24.546 22.032 0.554 1.00 20.91 0 B 1 +ATOM 1661 O O . VAL B 1 5 ? 24.322 23.009 -0.162 1.00 22.15 0 B 1 +ATOM 1662 C CB . VAL B 1 5 ? 25.117 22.916 2.909 1.00 18.75 0 B 1 +ATOM 1663 C CG1 . VAL B 1 5 ? 26.209 23.841 3.418 1.00 12.77 0 B 1 +ATOM 1664 C CG2 . VAL B 1 5 ? 23.828 23.664 2.633 1.00 10.34 0 B 1 +ATOM 1665 N N . VAL B 1 6 ? 23.985 20.847 0.357 1.00 19.15 0 B 1 +ATOM 1666 C CA . VAL B 1 6 ? 22.953 20.631 -0.646 1.00 15.04 0 B 1 +ATOM 1667 C C . VAL B 1 6 ? 21.639 20.575 0.123 1.00 13.80 0 B 1 +ATOM 1668 O O . VAL B 1 6 ? 21.448 19.706 0.982 1.00 16.24 0 B 1 +ATOM 1669 C CB . VAL B 1 6 ? 23.181 19.306 -1.404 1.00 14.53 0 B 1 +ATOM 1670 C CG1 . VAL B 1 6 ? 22.174 19.168 -2.528 1.00 15.40 0 B 1 +ATOM 1671 C CG2 . VAL B 1 6 ? 24.608 19.241 -1.941 1.00 7.93 0 B 1 +ATOM 1672 N N . TYR B 1 7 ? 20.735 21.503 -0.175 1.00 11.33 0 B 1 +ATOM 1673 C CA . TYR B 1 7 ? 19.470 21.558 0.543 1.00 10.01 0 B 1 +ATOM 1674 C C . TYR B 1 7 ? 18.410 22.353 -0.216 1.00 14.20 0 B 1 +ATOM 1675 O O . TYR B 1 7 ? 18.700 23.009 -1.215 1.00 18.71 0 B 1 +ATOM 1676 C CB . TYR B 1 7 ? 19.725 22.197 1.918 1.00 10.80 0 B 1 +ATOM 1677 C CG . TYR B 1 7 ? 18.614 22.036 2.927 1.00 15.46 0 B 1 +ATOM 1678 C CD1 . TYR B 1 7 ? 18.124 20.773 3.254 1.00 15.32 0 B 1 +ATOM 1679 C CD2 . TYR B 1 7 ? 18.064 23.143 3.573 1.00 14.77 0 B 1 +ATOM 1680 C CE1 . TYR B 1 7 ? 17.114 20.610 4.195 1.00 11.99 0 B 1 +ATOM 1681 C CE2 . TYR B 1 7 ? 17.053 22.993 4.520 1.00 14.74 0 B 1 +ATOM 1682 C CZ . TYR B 1 7 ? 16.583 21.719 4.826 1.00 13.25 0 B 1 +ATOM 1683 O OH . TYR B 1 7 ? 15.580 21.549 5.754 1.00 11.16 0 B 1 +ATOM 1684 N N . PHE B 1 8 ? 17.173 22.278 0.265 1.00 18.11 0 B 1 +ATOM 1685 C CA . PHE B 1 8 ? 16.055 22.997 -0.330 1.00 20.72 0 B 1 +ATOM 1686 C C . PHE B 1 8 ? 16.196 24.474 0.033 1.00 21.52 0 B 1 +ATOM 1687 O O . PHE B 1 8 ? 16.954 24.816 0.937 1.00 20.79 0 B 1 +ATOM 1688 C CB . PHE B 1 8 ? 14.742 22.431 0.206 1.00 21.53 0 B 1 +ATOM 1689 C CG . PHE B 1 8 ? 14.568 20.966 -0.067 1.00 28.44 0 B 1 +ATOM 1690 C CD1 . PHE B 1 8 ? 14.313 20.511 -1.363 1.00 24.39 0 B 1 +ATOM 1691 C CD2 . PHE B 1 8 ? 14.682 20.033 0.961 1.00 27.57 0 B 1 +ATOM 1692 C CE1 . PHE B 1 8 ? 14.175 19.149 -1.630 1.00 26.63 0 B 1 +ATOM 1693 C CE2 . PHE B 1 8 ? 14.546 18.664 0.705 1.00 30.65 0 B 1 +ATOM 1694 C CZ . PHE B 1 8 ? 14.293 18.222 -0.594 1.00 32.00 0 B 1 +ATOM 1695 N N . PRO B 1 9 ? 15.506 25.373 -0.688 1.00 21.54 0 B 1 +ATOM 1696 C CA . PRO B 1 9 ? 15.608 26.806 -0.384 1.00 19.80 0 B 1 +ATOM 1697 C C . PRO B 1 9 ? 14.846 27.247 0.875 1.00 20.15 0 B 1 +ATOM 1698 O O . PRO B 1 9 ? 13.976 28.112 0.811 1.00 20.07 0 B 1 +ATOM 1699 C CB . PRO B 1 9 ? 15.055 27.456 -1.650 1.00 23.28 0 B 1 +ATOM 1700 C CG . PRO B 1 9 ? 13.996 26.473 -2.082 1.00 24.91 0 B 1 +ATOM 1701 C CD . PRO B 1 9 ? 14.698 25.148 -1.904 1.00 20.14 0 B 1 +ATOM 1702 N N . VAL B 1 10 ? 15.171 26.631 2.009 1.00 24.02 0 B 1 +ATOM 1703 C CA . VAL B 1 10 ? 14.550 26.952 3.295 1.00 20.78 0 B 1 +ATOM 1704 C C . VAL B 1 10 ? 15.627 26.876 4.372 1.00 21.86 0 B 1 +ATOM 1705 O O . VAL B 1 10 ? 16.718 26.351 4.129 1.00 21.71 0 B 1 +ATOM 1706 C CB . VAL B 1 10 ? 13.411 25.962 3.669 1.00 20.30 0 B 1 +ATOM 1707 C CG1 . VAL B 1 10 ? 12.331 25.954 2.601 1.00 21.54 0 B 1 +ATOM 1708 C CG2 . VAL B 1 10 ? 13.962 24.564 3.887 1.00 25.11 0 B 1 +ATOM 1709 N N . ARG B 1 11 ? 15.338 27.424 5.548 1.00 14.84 0 B 1 +ATOM 1710 C CA . ARG B 1 11 ? 16.292 27.384 6.653 1.00 19.38 0 B 1 +ATOM 1711 C C . ARG B 1 11 ? 16.294 25.967 7.214 1.00 16.20 0 B 1 +ATOM 1712 O O . ARG B 1 11 ? 17.339 25.313 7.264 1.00 14.67 0 B 1 +ATOM 1713 C CB . ARG B 1 11 ? 15.905 28.386 7.740 1.00 15.30 0 B 1 +ATOM 1714 C CG . ARG B 1 11 ? 15.934 29.825 7.269 1.00 13.72 0 B 1 +ATOM 1715 C CD . ARG B 1 11 ? 15.615 30.782 8.394 1.00 17.28 0 B 1 +ATOM 1716 N NE . ARG B 1 11 ? 15.297 32.107 7.876 1.00 18.48 0 B 1 +ATOM 1717 C CZ . ARG B 1 11 ? 14.600 33.022 8.539 1.00 13.13 0 B 1 +ATOM 1718 N NH1 . ARG B 1 11 ? 14.150 32.762 9.762 1.00 17.59 0 B 1 +ATOM 1719 N NH2 . ARG B 1 11 ? 14.322 34.185 7.961 1.00 19.79 0 B 1 +ATOM 1720 N N . GLY B 1 12 ? 15.107 25.510 7.614 1.00 14.97 0 B 1 +ATOM 1721 C CA . GLY B 1 12 ? 14.919 24.170 8.147 1.00 16.27 0 B 1 +ATOM 1722 C C . GLY B 1 12 ? 16.043 23.580 8.979 1.00 16.27 0 B 1 +ATOM 1723 O O . GLY B 1 12 ? 16.525 24.201 9.930 1.00 18.48 0 B 1 +ATOM 1724 N N . ARG B 1 13 ? 16.494 22.393 8.587 1.00 13.50 0 B 1 +ATOM 1725 C CA . ARG B 1 13 ? 17.557 21.700 9.303 1.00 13.12 0 B 1 +ATOM 1726 C C . ARG B 1 13 ? 18.984 22.143 8.997 1.00 14.05 0 B 1 +ATOM 1727 O O . ARG B 1 13 ? 19.941 21.511 9.453 1.00 13.51 0 B 1 +ATOM 1728 C CB . ARG B 1 13 ? 17.419 20.189 9.123 1.00 9.15 0 B 1 +ATOM 1729 C CG . ARG B 1 13 ? 16.250 19.595 9.896 1.00 4.44 0 B 1 +ATOM 1730 C CD . ARG B 1 13 ? 16.233 18.086 9.786 1.00 12.73 0 B 1 +ATOM 1731 N NE . ARG B 1 13 ? 15.255 17.479 10.688 1.00 19.02 0 B 1 +ATOM 1732 C CZ . ARG B 1 13 ? 15.511 17.133 11.947 1.00 12.00 0 B 1 +ATOM 1733 N NH1 . ARG B 1 13 ? 16.715 17.344 12.474 1.00 10.75 0 B 1 +ATOM 1734 N NH2 . ARG B 1 13 ? 14.558 16.583 12.686 1.00 13.35 0 B 1 +ATOM 1735 N N . CYS B 1 14 ? 19.137 23.223 8.234 1.00 10.29 0 B 1 +ATOM 1736 C CA . CYS B 1 14 ? 20.473 23.722 7.915 1.00 15.69 0 B 1 +ATOM 1737 C C . CYS B 1 14 ? 20.777 25.056 8.583 1.00 10.57 0 B 1 +ATOM 1738 O O . CYS B 1 14 ? 21.923 25.518 8.566 1.00 17.13 0 B 1 +ATOM 1739 C CB . CYS B 1 14 ? 20.666 23.837 6.404 1.00 14.82 0 B 1 +ATOM 1740 S SG . CYS B 1 14 ? 20.802 22.248 5.584 1.00 19.67 0 B 1 +ATOM 1741 N N . ALA B 1 15 ? 19.754 25.658 9.187 1.00 13.71 0 B 1 +ATOM 1742 C CA . ALA B 1 15 ? 19.894 26.944 9.860 1.00 13.88 0 B 1 +ATOM 1743 C C . ALA B 1 15 ? 21.024 26.948 10.892 1.00 11.11 0 B 1 +ATOM 1744 O O . ALA B 1 15 ? 21.909 27.802 10.851 1.00 16.99 0 B 1 +ATOM 1745 C CB . ALA B 1 15 ? 18.577 27.330 10.509 1.00 6.58 0 B 1 +ATOM 1746 N N . ALA B 1 16 ? 21.022 25.956 11.777 1.00 14.29 0 B 1 +ATOM 1747 C CA . ALA B 1 16 ? 22.038 25.856 12.816 1.00 11.83 0 B 1 +ATOM 1748 C C . ALA B 1 16 ? 23.447 25.658 12.272 1.00 15.77 0 B 1 +ATOM 1749 O O . ALA B 1 16 ? 24.385 26.332 12.714 1.00 17.33 0 B 1 +ATOM 1750 C CB . ALA B 1 16 ? 21.683 24.747 13.791 1.00 9.46 0 B 1 +ATOM 1751 N N . LEU B 1 17 ? 23.600 24.755 11.305 1.00 18.54 0 B 1 +ATOM 1752 C CA . LEU B 1 17 ? 24.920 24.494 10.730 1.00 15.95 0 B 1 +ATOM 1753 C C . LEU B 1 17 ? 25.433 25.696 9.934 1.00 10.49 0 B 1 +ATOM 1754 O O . LEU B 1 17 ? 26.639 25.927 9.860 1.00 16.44 0 B 1 +ATOM 1755 C CB . LEU B 1 17 ? 24.928 23.195 9.900 1.00 12.67 0 B 1 +ATOM 1756 C CG . LEU B 1 17 ? 24.156 23.036 8.588 1.00 11.14 0 B 1 +ATOM 1757 C CD1 . LEU B 1 17 ? 25.082 23.325 7.424 1.00 3.24 0 B 1 +ATOM 1758 C CD2 . LEU B 1 17 ? 23.615 21.612 8.473 1.00 12.33 0 B 1 +ATOM 1759 N N . ARG B 1 18 ? 24.515 26.476 9.367 1.00 11.81 0 B 1 +ATOM 1760 C CA . ARG B 1 18 ? 24.891 27.674 8.618 1.00 12.23 0 B 1 +ATOM 1761 C C . ARG B 1 18 ? 25.375 28.751 9.588 1.00 10.45 0 B 1 +ATOM 1762 O O . ARG B 1 18 ? 26.380 29.416 9.331 1.00 16.59 0 B 1 +ATOM 1763 C CB . ARG B 1 18 ? 23.710 28.195 7.804 1.00 8.73 0 B 1 +ATOM 1764 C CG . ARG B 1 18 ? 23.418 27.381 6.566 1.00 7.20 0 B 1 +ATOM 1765 C CD . ARG B 1 18 ? 22.061 27.743 6.005 1.00 13.69 0 B 1 +ATOM 1766 N NE . ARG B 1 18 ? 21.810 27.073 4.734 1.00 13.61 0 B 1 +ATOM 1767 C CZ . ARG B 1 18 ? 20.604 26.797 4.254 1.00 10.96 0 B 1 +ATOM 1768 N NH1 . ARG B 1 18 ? 19.517 27.128 4.940 1.00 12.63 0 B 1 +ATOM 1769 N NH2 . ARG B 1 18 ? 20.486 26.195 3.078 1.00 14.54 0 B 1 +ATOM 1770 N N . MET B 1 19 ? 24.661 28.905 10.706 1.00 13.30 0 B 1 +ATOM 1771 C CA . MET B 1 19 ? 25.034 29.882 11.728 1.00 10.84 0 B 1 +ATOM 1772 C C . MET B 1 19 ? 26.402 29.532 12.294 1.00 12.29 0 B 1 +ATOM 1773 O O . MET B 1 19 ? 27.211 30.411 12.574 1.00 16.25 0 B 1 +ATOM 1774 C CB . MET B 1 19 ? 24.021 29.901 12.870 1.00 7.48 0 B 1 +ATOM 1775 C CG . MET B 1 19 ? 22.626 30.337 12.477 1.00 11.33 0 B 1 +ATOM 1776 S SD . MET B 1 19 ? 21.554 30.545 13.921 1.00 20.62 0 B 1 +ATOM 1777 C CE . MET B 1 19 ? 21.340 28.900 14.412 1.00 23.54 0 B 1 +ATOM 1778 N N . LEU B 1 20 ? 26.648 28.236 12.459 1.00 14.03 0 B 1 +ATOM 1779 C CA . LEU B 1 20 ? 27.916 27.744 12.985 1.00 14.46 0 B 1 +ATOM 1780 C C . LEU B 1 20 ? 29.064 28.113 12.046 1.00 11.96 0 B 1 +ATOM 1781 O O . LEU B 1 20 ? 30.083 28.655 12.485 1.00 22.84 0 B 1 +ATOM 1782 C CB . LEU B 1 20 ? 27.842 26.223 13.179 1.00 8.64 0 B 1 +ATOM 1783 C CG . LEU B 1 20 ? 28.971 25.482 13.907 1.00 5.60 0 B 1 +ATOM 1784 C CD1 . LEU B 1 20 ? 28.451 24.135 14.389 1.00 10.58 0 B 1 +ATOM 1785 C CD2 . LEU B 1 20 ? 30.198 25.303 13.017 1.00 2.05 0 B 1 +ATOM 1786 N N . LEU B 1 21 ? 28.897 27.801 10.760 1.00 13.96 0 B 1 +ATOM 1787 C CA . LEU B 1 21 ? 29.910 28.096 9.752 1.00 14.99 0 B 1 +ATOM 1788 C C . LEU B 1 21 ? 30.167 29.596 9.656 1.00 18.05 0 B 1 +ATOM 1789 O O . LEU B 1 21 ? 31.316 30.031 9.662 1.00 19.87 0 B 1 +ATOM 1790 C CB . LEU B 1 21 ? 29.484 27.549 8.389 1.00 11.76 0 B 1 +ATOM 1791 C CG . LEU B 1 21 ? 29.547 26.030 8.229 1.00 11.56 0 B 1 +ATOM 1792 C CD1 . LEU B 1 21 ? 28.894 25.612 6.926 1.00 14.81 0 B 1 +ATOM 1793 C CD2 . LEU B 1 21 ? 30.993 25.564 8.281 1.00 6.15 0 B 1 +ATOM 1794 N N . ALA B 1 22 ? 29.092 30.378 9.604 1.00 23.60 0 B 1 +ATOM 1795 C CA . ALA B 1 22 ? 29.191 31.831 9.515 1.00 21.34 0 B 1 +ATOM 1796 C C . ALA B 1 22 ? 29.941 32.414 10.711 1.00 20.82 0 B 1 +ATOM 1797 O O . ALA B 1 22 ? 30.927 33.135 10.548 1.00 22.49 0 B 1 +ATOM 1798 C CB . ALA B 1 22 ? 27.809 32.436 9.426 1.00 17.23 0 B 1 +ATOM 1799 N N . ASP B 1 23 ? 29.500 32.051 11.912 1.00 18.61 0 B 1 +ATOM 1800 C CA . ASP B 1 23 ? 30.104 32.536 13.145 1.00 16.42 0 B 1 +ATOM 1801 C C . ASP B 1 23 ? 31.563 32.119 13.318 1.00 19.05 0 B 1 +ATOM 1802 O O . ASP B 1 23 ? 32.342 32.832 13.950 1.00 20.06 0 B 1 +ATOM 1803 C CB . ASP B 1 23 ? 29.277 32.073 14.346 1.00 22.68 0 B 1 +ATOM 1804 C CG . ASP B 1 23 ? 29.571 32.867 15.601 1.00 23.00 0 B 1 +ATOM 1805 O OD1 . ASP B 1 23 ? 29.380 34.102 15.590 1.00 25.24 0 B 1 +ATOM 1806 O OD2 . ASP B 1 23 ? 29.966 32.245 16.603 1.00 20.31 0 B 1 +ATOM 1807 N N . GLN B 1 24 ? 31.932 30.967 12.767 1.00 18.07 0 B 1 +ATOM 1808 C CA . GLN B 1 24 ? 33.307 30.478 12.868 1.00 17.60 0 B 1 +ATOM 1809 C C . GLN B 1 24 ? 34.195 31.012 11.754 1.00 14.83 0 B 1 +ATOM 1810 O O . GLN B 1 24 ? 35.357 30.622 11.644 1.00 20.83 0 B 1 +ATOM 1811 C CB . GLN B 1 24 ? 33.336 28.948 12.871 1.00 19.14 0 B 1 +ATOM 1812 C CG . GLN B 1 24 ? 32.766 28.331 14.147 1.00 15.09 0 B 1 +ATOM 1813 C CD . GLN B 1 24 ? 33.505 28.794 15.389 1.00 12.90 0 B 1 +ATOM 1814 N NE2 . GLN B 1 24 ? 32.764 29.221 16.399 1.00 13.81 0 B 1 +ATOM 1815 O OE1 . GLN B 1 24 ? 34.736 28.741 15.443 1.00 12.05 0 B 1 +ATOM 1816 N N . GLY B 1 25 ? 33.635 31.896 10.930 1.00 22.04 0 B 1 +ATOM 1817 C CA . GLY B 1 25 ? 34.382 32.486 9.833 1.00 20.10 0 B 1 +ATOM 1818 C C . GLY B 1 25 ? 34.715 31.517 8.716 1.00 23.51 0 B 1 +ATOM 1819 O O . GLY B 1 25 ? 35.752 31.648 8.071 1.00 28.36 0 B 1 +ATOM 1820 N N . GLN B 1 26 ? 33.841 30.542 8.488 1.00 22.95 0 B 1 +ATOM 1821 C CA . GLN B 1 26 ? 34.048 29.544 7.443 1.00 22.49 0 B 1 +ATOM 1822 C C . GLN B 1 26 ? 33.286 29.887 6.169 1.00 24.12 0 B 1 +ATOM 1823 O O . GLN B 1 26 ? 32.208 30.479 6.217 1.00 26.60 0 B 1 +ATOM 1824 C CB . GLN B 1 26 ? 33.609 28.161 7.928 1.00 22.18 0 B 1 +ATOM 1825 C CG . GLN B 1 26 ? 34.300 27.689 9.194 1.00 19.74 0 B 1 +ATOM 1826 C CD . GLN B 1 26 ? 35.796 27.590 9.039 1.00 23.50 0 B 1 +ATOM 1827 N NE2 . GLN B 1 26 ? 36.525 28.013 10.064 1.00 23.87 0 B 1 +ATOM 1828 O OE1 . GLN B 1 26 ? 36.293 27.116 8.021 1.00 32.26 0 B 1 +ATOM 1829 N N . SER B 1 27 ? 33.853 29.491 5.033 1.00 30.00 0 B 1 +ATOM 1830 C CA . SER B 1 27 ? 33.250 29.730 3.726 1.00 28.75 0 B 1 +ATOM 1831 C C . SER B 1 27 ? 32.634 28.421 3.262 1.00 26.59 0 B 1 +ATOM 1832 O O . SER B 1 27 ? 33.189 27.350 3.506 1.00 23.02 0 B 1 +ATOM 1833 C CB . SER B 1 27 ? 34.319 30.144 2.709 1.00 30.97 0 B 1 +ATOM 1834 O OG . SER B 1 27 ? 35.229 31.082 3.255 1.00 34.30 0 B 1 +ATOM 1835 N N . TRP B 1 28 ? 31.494 28.501 2.591 1.00 21.76 0 B 1 +ATOM 1836 C CA . TRP B 1 28 ? 30.849 27.300 2.083 1.00 20.45 0 B 1 +ATOM 1837 C C . TRP B 1 28 ? 30.034 27.599 0.834 1.00 19.73 0 B 1 +ATOM 1838 O O . TRP B 1 28 ? 29.657 28.740 0.582 1.00 17.27 0 B 1 +ATOM 1839 C CB . TRP B 1 28 ? 29.971 26.643 3.156 1.00 14.02 0 B 1 +ATOM 1840 C CG . TRP B 1 28 ? 28.704 27.382 3.489 1.00 11.82 0 B 1 +ATOM 1841 C CD1 . TRP B 1 28 ? 27.455 27.126 3.001 1.00 14.47 0 B 1 +ATOM 1842 C CD2 . TRP B 1 28 ? 28.560 28.458 4.431 1.00 10.80 0 B 1 +ATOM 1843 C CE2 . TRP B 1 28 ? 27.186 28.790 4.467 1.00 8.72 0 B 1 +ATOM 1844 C CE3 . TRP B 1 28 ? 29.449 29.163 5.250 1.00 13.17 0 B 1 +ATOM 1845 N NE1 . TRP B 1 28 ? 26.539 27.967 3.587 1.00 12.74 0 B 1 +ATOM 1846 C CZ2 . TRP B 1 28 ? 26.685 29.803 5.294 1.00 7.25 0 B 1 +ATOM 1847 C CZ3 . TRP B 1 28 ? 28.949 30.168 6.071 1.00 12.31 0 B 1 +ATOM 1848 C CH2 . TRP B 1 28 ? 27.577 30.476 6.086 1.00 12.18 0 B 1 +ATOM 1849 N N . LYS B 1 29 ? 29.774 26.556 0.057 1.00 19.11 0 B 1 +ATOM 1850 C CA . LYS B 1 29 ? 29.012 26.663 -1.175 1.00 23.10 0 B 1 +ATOM 1851 C C . LYS B 1 29 ? 27.614 26.114 -0.941 1.00 25.89 0 B 1 +ATOM 1852 O O . LYS B 1 29 ? 27.443 25.087 -0.286 1.00 24.44 0 B 1 +ATOM 1853 C CB . LYS B 1 29 ? 29.717 25.869 -2.280 1.00 29.87 0 B 1 +ATOM 1854 C CG . LYS B 1 29 ? 28.887 25.607 -3.523 1.00 41.03 0 B 1 +ATOM 1855 C CD . LYS B 1 29 ? 28.694 26.854 -4.373 1.00 54.60 0 B 1 +ATOM 1856 C CE . LYS B 1 29 ? 27.795 26.555 -5.569 1.00 60.22 0 B 1 +ATOM 1857 N NZ . LYS B 1 29 ? 28.278 25.361 -6.331 1.00 66.25 0 B 1 +ATOM 1858 N N . GLU B 1 30 ? 26.614 26.825 -1.446 1.00 27.09 0 B 1 +ATOM 1859 C CA . GLU B 1 30 ? 25.232 26.397 -1.314 1.00 22.76 0 B 1 +ATOM 1860 C C . GLU B 1 30 ? 24.750 25.834 -2.643 1.00 27.22 0 B 1 +ATOM 1861 O O . GLU B 1 30 ? 24.811 26.508 -3.671 1.00 28.14 0 B 1 +ATOM 1862 C CB . GLU B 1 30 ? 24.338 27.570 -0.905 1.00 24.71 0 B 1 +ATOM 1863 C CG . GLU B 1 30 ? 24.514 28.050 0.532 1.00 25.60 0 B 1 +ATOM 1864 C CD . GLU B 1 30 ? 23.715 27.251 1.555 1.00 22.68 0 B 1 +ATOM 1865 O OE1 . GLU B 1 30 ? 22.968 26.320 1.174 1.00 25.52 0 B 1 +ATOM 1866 O OE2 . GLU B 1 30 ? 23.838 27.564 2.757 1.00 25.33 0 B 1 +ATOM 1867 N N . GLU B 1 31 ? 24.337 24.574 -2.623 1.00 29.40 0 B 1 +ATOM 1868 C CA . GLU B 1 31 ? 23.813 23.905 -3.803 1.00 30.25 0 B 1 +ATOM 1869 C C . GLU B 1 31 ? 22.324 23.805 -3.558 1.00 29.50 0 B 1 +ATOM 1870 O O . GLU B 1 31 ? 21.868 22.946 -2.809 1.00 29.93 0 B 1 +ATOM 1871 C CB . GLU B 1 31 ? 24.419 22.511 -3.949 1.00 34.26 0 B 1 +ATOM 1872 C CG . GLU B 1 31 ? 25.774 22.493 -4.623 1.00 47.90 0 B 1 +ATOM 1873 C CD . GLU B 1 31 ? 25.678 22.761 -6.113 1.00 54.07 0 B 1 +ATOM 1874 O OE1 . GLU B 1 31 ? 25.642 23.946 -6.515 1.00 53.62 0 B 1 +ATOM 1875 O OE2 . GLU B 1 31 ? 25.625 21.779 -6.883 1.00 66.85 0 B 1 +ATOM 1876 N N . VAL B 1 32 ? 21.572 24.725 -4.146 1.00 29.27 0 B 1 +ATOM 1877 C CA . VAL B 1 32 ? 20.132 24.751 -3.963 1.00 26.39 0 B 1 +ATOM 1878 C C . VAL B 1 32 ? 19.401 23.743 -4.828 1.00 30.94 0 B 1 +ATOM 1879 O O . VAL B 1 32 ? 19.620 23.663 -6.033 1.00 39.04 0 B 1 +ATOM 1880 C CB . VAL B 1 32 ? 19.562 26.158 -4.219 1.00 30.62 0 B 1 +ATOM 1881 C CG1 . VAL B 1 32 ? 18.067 26.176 -3.945 1.00 25.87 0 B 1 +ATOM 1882 C CG2 . VAL B 1 32 ? 20.279 27.174 -3.342 1.00 26.68 0 B 1 +ATOM 1883 N N . VAL B 1 33 ? 18.544 22.962 -4.185 1.00 32.24 0 B 1 +ATOM 1884 C CA . VAL B 1 33 ? 17.747 21.954 -4.859 1.00 26.40 0 B 1 +ATOM 1885 C C . VAL B 1 33 ? 16.300 22.392 -4.727 1.00 31.56 0 B 1 +ATOM 1886 O O . VAL B 1 33 ? 15.805 22.594 -3.617 1.00 33.69 0 B 1 +ATOM 1887 C CB . VAL B 1 33 ? 17.915 20.563 -4.207 1.00 24.47 0 B 1 +ATOM 1888 C CG1 . VAL B 1 33 ? 16.964 19.562 -4.845 1.00 23.77 0 B 1 +ATOM 1889 C CG2 . VAL B 1 33 ? 19.350 20.087 -4.348 1.00 21.90 0 B 1 +ATOM 1890 N N . THR B 1 34 ? 15.637 22.574 -5.864 1.00 36.24 0 B 1 +ATOM 1891 C CA . THR B 1 34 ? 14.240 22.988 -5.875 1.00 39.40 0 B 1 +ATOM 1892 C C . THR B 1 34 ? 13.335 21.766 -5.754 1.00 39.86 0 B 1 +ATOM 1893 O O . THR B 1 34 ? 13.777 20.635 -5.960 1.00 37.37 0 B 1 +ATOM 1894 C CB . THR B 1 34 ? 13.892 23.739 -7.174 1.00 38.77 0 B 1 +ATOM 1895 C CG2 . THR B 1 34 ? 14.838 24.914 -7.378 1.00 44.18 0 B 1 +ATOM 1896 O OG1 . THR B 1 34 ? 14.013 22.845 -8.287 1.00 45.87 0 B 1 +ATOM 1897 N N . VAL B 1 35 ? 12.069 22.001 -5.418 1.00 47.64 0 B 1 +ATOM 1898 C CA . VAL B 1 35 ? 11.088 20.925 -5.277 1.00 53.28 0 B 1 +ATOM 1899 C C . VAL B 1 35 ? 10.899 20.185 -6.607 1.00 54.22 0 B 1 +ATOM 1900 O O . VAL B 1 35 ? 10.598 18.991 -6.625 1.00 51.37 0 B 1 +ATOM 1901 C CB . VAL B 1 35 ? 9.719 21.477 -4.786 1.00 56.47 0 B 1 +ATOM 1902 C CG1 . VAL B 1 35 ? 9.053 22.331 -5.876 1.00 58.28 0 B 1 +ATOM 1903 C CG2 . VAL B 1 35 ? 8.809 20.338 -4.349 1.00 60.50 0 B 1 +ATOM 1904 N N . GLU B 1 36 ? 11.097 20.901 -7.712 1.00 58.43 0 B 1 +ATOM 1905 C CA . GLU B 1 36 ? 10.962 20.330 -9.049 1.00 61.12 0 B 1 +ATOM 1906 C C . GLU B 1 36 ? 12.079 19.323 -9.294 1.00 57.43 0 B 1 +ATOM 1907 O O . GLU B 1 36 ? 11.821 18.167 -9.636 1.00 57.50 0 B 1 +ATOM 1908 C CB . GLU B 1 36 ? 11.057 21.429 -10.105 1.00 67.67 0 B 1 +ATOM 1909 C CG . GLU B 1 36 ? 10.280 22.693 -9.779 1.00 76.81 0 B 1 +ATOM 1910 C CD . GLU B 1 36 ? 11.060 23.952 -10.125 1.00 82.50 0 B 1 +ATOM 1911 O OE1 . GLU B 1 36 ? 11.947 23.895 -11.012 1.00 85.34 0 B 1 +ATOM 1912 O OE2 . GLU B 1 36 ? 10.796 24.996 -9.492 1.00 85.98 0 B 1 +ATOM 1913 N N . THR B 1 37 ? 13.319 19.778 -9.119 1.00 52.77 0 B 1 +ATOM 1914 C CA . THR B 1 37 ? 14.498 18.940 -9.312 1.00 46.99 0 B 1 +ATOM 1915 C C . THR B 1 37 ? 14.421 17.681 -8.440 1.00 47.18 0 B 1 +ATOM 1916 O O . THR B 1 37 ? 14.750 16.582 -8.892 1.00 45.53 0 B 1 +ATOM 1917 C CB . THR B 1 37 ? 15.797 19.711 -8.961 1.00 44.38 0 B 1 +ATOM 1918 C CG2 . THR B 1 37 ? 17.022 18.958 -9.462 1.00 38.19 0 B 1 +ATOM 1919 O OG1 . THR B 1 37 ? 15.770 21.007 -9.571 1.00 35.05 0 B 1 +ATOM 1920 N N . TRP B 1 38 ? 13.957 17.852 -7.202 1.00 42.94 0 B 1 +ATOM 1921 C CA . TRP B 1 38 ? 13.827 16.750 -6.247 1.00 43.28 0 B 1 +ATOM 1922 C C . TRP B 1 38 ? 12.808 15.704 -6.702 1.00 47.41 0 B 1 +ATOM 1923 O O . TRP B 1 38 ? 13.067 14.502 -6.616 1.00 50.08 0 B 1 +ATOM 1924 C CB . TRP B 1 38 ? 13.447 17.297 -4.864 1.00 36.44 0 B 1 +ATOM 1925 C CG . TRP B 1 38 ? 13.438 16.274 -3.751 1.00 33.30 0 B 1 +ATOM 1926 C CD1 . TRP B 1 38 ? 12.344 15.804 -3.081 1.00 32.64 0 B 1 +ATOM 1927 C CD2 . TRP B 1 38 ? 14.578 15.630 -3.163 1.00 28.13 0 B 1 +ATOM 1928 C CE2 . TRP B 1 38 ? 14.092 14.785 -2.135 1.00 29.08 0 B 1 +ATOM 1929 C CE3 . TRP B 1 38 ? 15.958 15.685 -3.397 1.00 25.40 0 B 1 +ATOM 1930 N NE1 . TRP B 1 38 ? 12.732 14.912 -2.109 1.00 31.63 0 B 1 +ATOM 1931 C CZ2 . TRP B 1 38 ? 14.945 14.002 -1.344 1.00 23.42 0 B 1 +ATOM 1932 C CZ3 . TRP B 1 38 ? 16.804 14.907 -2.610 1.00 21.21 0 B 1 +ATOM 1933 C CH2 . TRP B 1 38 ? 16.291 14.076 -1.595 1.00 18.10 0 B 1 +ATOM 1934 N N . GLN B 1 39 ? 11.661 16.164 -7.198 1.00 52.69 0 B 1 +ATOM 1935 C CA . GLN B 1 39 ? 10.611 15.261 -7.665 1.00 56.62 0 B 1 +ATOM 1936 C C . GLN B 1 39 ? 10.977 14.507 -8.939 1.00 56.84 0 B 1 +ATOM 1937 O O . GLN B 1 39 ? 10.292 13.557 -9.322 1.00 60.81 0 B 1 +ATOM 1938 C CB . GLN B 1 39 ? 9.294 16.015 -7.833 1.00 57.23 0 B 1 +ATOM 1939 C CG . GLN B 1 39 ? 8.703 16.459 -6.503 1.00 60.47 0 B 1 +ATOM 1940 C CD . GLN B 1 39 ? 7.534 17.409 -6.652 1.00 65.34 0 B 1 +ATOM 1941 N NE2 . GLN B 1 39 ? 6.802 17.611 -5.565 1.00 64.94 0 B 1 +ATOM 1942 O OE1 . GLN B 1 39 ? 7.303 17.975 -7.724 1.00 67.75 0 B 1 +ATOM 1943 N N . GLU B 1 40 ? 12.064 14.924 -9.586 1.00 57.04 0 B 1 +ATOM 1944 C CA . GLU B 1 40 ? 12.539 14.261 -10.795 1.00 56.97 0 B 1 +ATOM 1945 C C . GLU B 1 40 ? 13.010 12.849 -10.408 1.00 58.80 0 B 1 +ATOM 1946 O O . GLU B 1 40 ? 12.970 11.927 -11.224 1.00 61.94 0 B 1 +ATOM 1947 C CB . GLU B 1 40 ? 13.664 15.079 -11.435 1.00 55.00 0 B 1 +ATOM 1948 C CG . GLU B 1 40 ? 14.194 14.525 -12.744 1.00 60.21 0 B 1 +ATOM 1949 C CD . GLU B 1 40 ? 15.502 13.778 -12.572 1.00 62.90 0 B 1 +ATOM 1950 O OE1 . GLU B 1 40 ? 16.568 14.429 -12.577 1.00 68.20 0 B 1 +ATOM 1951 O OE2 . GLU B 1 40 ? 15.471 12.538 -12.443 1.00 66.48 0 B 1 +ATOM 1952 N N . GLY B 1 41 ? 13.457 12.695 -9.160 1.00 55.91 0 B 1 +ATOM 1953 C CA . GLY B 1 41 ? 13.873 11.392 -8.661 1.00 50.06 0 B 1 +ATOM 1954 C C . GLY B 1 41 ? 15.333 10.985 -8.568 1.00 48.42 0 B 1 +ATOM 1955 O O . GLY B 1 41 ? 15.712 10.304 -7.613 1.00 48.44 0 B 1 +ATOM 1956 N N . SER B 1 42 ? 16.152 11.382 -9.537 1.00 46.90 0 B 1 +ATOM 1957 C CA . SER B 1 42 ? 17.565 11.000 -9.556 1.00 50.18 0 B 1 +ATOM 1958 C C . SER B 1 42 ? 18.397 11.318 -8.310 1.00 46.83 0 B 1 +ATOM 1959 O O . SER B 1 42 ? 19.101 10.443 -7.802 1.00 45.75 0 B 1 +ATOM 1960 C CB . SER B 1 42 ? 18.254 11.561 -10.802 1.00 52.48 0 B 1 +ATOM 1961 O OG . SER B 1 42 ? 18.192 12.975 -10.822 1.00 59.18 0 B 1 +ATOM 1962 N N . LEU B 1 43 ? 18.326 12.559 -7.825 1.00 45.86 0 B 1 +ATOM 1963 C CA . LEU B 1 43 ? 19.088 12.968 -6.640 1.00 40.05 0 B 1 +ATOM 1964 C C . LEU B 1 43 ? 18.646 12.201 -5.389 1.00 34.71 0 B 1 +ATOM 1965 O O . LEU B 1 43 ? 19.483 11.691 -4.642 1.00 35.66 0 B 1 +ATOM 1966 C CB . LEU B 1 43 ? 18.941 14.473 -6.389 1.00 41.14 0 B 1 +ATOM 1967 C CG . LEU B 1 43 ? 20.116 15.266 -5.791 1.00 42.51 0 B 1 +ATOM 1968 C CD1 . LEU B 1 43 ? 19.560 16.342 -4.879 1.00 46.88 0 B 1 +ATOM 1969 C CD2 . LEU B 1 43 ? 21.086 14.386 -5.015 1.00 39.74 0 B 1 +ATOM 1970 N N . LYS B 1 44 ? 17.333 12.136 -5.166 1.00 26.39 0 B 1 +ATOM 1971 C CA . LYS B 1 44 ? 16.767 11.434 -4.014 1.00 29.50 0 B 1 +ATOM 1972 C C . LYS B 1 44 ? 17.281 10.002 -3.946 1.00 34.06 0 B 1 +ATOM 1973 O O . LYS B 1 44 ? 17.657 9.518 -2.880 1.00 34.77 0 B 1 +ATOM 1974 C CB . LYS B 1 44 ? 15.241 11.409 -4.106 1.00 30.20 0 B 1 +ATOM 1975 C CG . LYS B 1 44 ? 14.554 10.883 -2.859 1.00 28.73 0 B 1 +ATOM 1976 C CD . LYS B 1 44 ? 13.084 10.584 -3.116 1.00 29.18 0 B 1 +ATOM 1977 C CE . LYS B 1 44 ? 12.238 10.808 -1.871 1.00 39.73 0 B 1 +ATOM 1978 N NZ . LYS B 1 44 ? 12.829 10.214 -0.639 1.00 29.73 0 B 1 +ATOM 1979 N N . ALA B 1 45 ? 17.320 9.348 -5.105 1.00 36.39 0 B 1 +ATOM 1980 C CA . ALA B 1 45 ? 17.777 7.968 -5.217 1.00 33.03 0 B 1 +ATOM 1981 C C . ALA B 1 45 ? 19.243 7.792 -4.834 1.00 33.05 0 B 1 +ATOM 1982 O O . ALA B 1 45 ? 19.628 6.735 -4.339 1.00 39.78 0 B 1 +ATOM 1983 C CB . ALA B 1 45 ? 17.535 7.454 -6.629 1.00 35.77 0 B 1 +ATOM 1984 N N . SER B 1 46 ? 20.057 8.818 -5.064 1.00 29.59 0 B 1 +ATOM 1985 C CA . SER B 1 46 ? 21.479 8.750 -4.731 1.00 27.14 0 B 1 +ATOM 1986 C C . SER B 1 46 ? 21.775 9.115 -3.277 1.00 26.02 0 B 1 +ATOM 1987 O O . SER B 1 46 ? 22.907 8.956 -2.817 1.00 25.51 0 B 1 +ATOM 1988 C CB . SER B 1 46 ? 22.293 9.644 -5.664 1.00 29.76 0 B 1 +ATOM 1989 O OG . SER B 1 46 ? 21.881 10.995 -5.558 1.00 31.85 0 B 1 +ATOM 1990 N N . CYS B 1 47 ? 20.774 9.645 -2.575 1.00 23.30 0 B 1 +ATOM 1991 C CA . CYS B 1 47 ? 20.923 10.015 -1.166 1.00 23.13 0 B 1 +ATOM 1992 C C . CYS B 1 47 ? 20.761 8.769 -0.303 1.00 23.47 0 B 1 +ATOM 1993 O O . CYS B 1 47 ? 19.778 8.038 -0.453 1.00 21.06 0 B 1 +ATOM 1994 C CB . CYS B 1 47 ? 19.871 11.050 -0.761 1.00 25.29 0 B 1 +ATOM 1995 S SG . CYS B 1 47 ? 20.106 12.681 -1.487 1.00 28.80 0 B 1 +ATOM 1996 N N . LEU B 1 48 ? 21.702 8.558 0.619 1.00 21.12 0 B 1 +ATOM 1997 C CA . LEU B 1 48 ? 21.693 7.396 1.510 1.00 23.28 0 B 1 +ATOM 1998 C C . LEU B 1 48 ? 20.336 7.054 2.132 1.00 23.28 0 B 1 +ATOM 1999 O O . LEU B 1 48 ? 19.904 5.906 2.072 1.00 24.26 0 B 1 +ATOM 2000 C CB . LEU B 1 48 ? 22.740 7.565 2.609 1.00 20.97 0 B 1 +ATOM 2001 C CG . LEU B 1 48 ? 22.899 6.392 3.580 1.00 24.22 0 B 1 +ATOM 2002 C CD1 . LEU B 1 48 ? 23.265 5.123 2.818 1.00 20.50 0 B 1 +ATOM 2003 C CD2 . LEU B 1 48 ? 23.967 6.724 4.606 1.00 21.29 0 B 1 +ATOM 2004 N N . TYR B 1 49 ? 19.674 8.041 2.730 1.00 24.24 0 B 1 +ATOM 2005 C CA . TYR B 1 49 ? 18.364 7.817 3.347 1.00 23.71 0 B 1 +ATOM 2006 C C . TYR B 1 49 ? 17.243 8.473 2.536 1.00 27.62 0 B 1 +ATOM 2007 O O . TYR B 1 49 ? 16.103 8.592 3.013 1.00 33.21 0 B 1 +ATOM 2008 C CB . TYR B 1 49 ? 18.346 8.338 4.789 1.00 14.19 0 B 1 +ATOM 2009 C CG . TYR B 1 49 ? 19.391 7.708 5.687 1.00 12.84 0 B 1 +ATOM 2010 C CD1 . TYR B 1 49 ? 19.335 6.349 6.006 1.00 14.84 0 B 1 +ATOM 2011 C CD2 . TYR B 1 49 ? 20.433 8.468 6.223 1.00 12.74 0 B 1 +ATOM 2012 C CE1 . TYR B 1 49 ? 20.289 5.758 6.835 1.00 15.75 0 B 1 +ATOM 2013 C CE2 . TYR B 1 49 ? 21.394 7.887 7.058 1.00 15.20 0 B 1 +ATOM 2014 C CZ . TYR B 1 49 ? 21.314 6.531 7.360 1.00 17.93 0 B 1 +ATOM 2015 O OH . TYR B 1 49 ? 22.253 5.951 8.189 1.00 20.26 0 B 1 +ATOM 2016 N N . GLY B 1 50 ? 17.576 8.877 1.306 1.00 23.70 0 B 1 +ATOM 2017 C CA . GLY B 1 50 ? 16.614 9.512 0.418 1.00 24.44 0 B 1 +ATOM 2018 C C . GLY B 1 50 ? 16.169 10.891 0.867 1.00 28.77 0 B 1 +ATOM 2019 O O . GLY B 1 50 ? 15.067 11.329 0.532 1.00 27.66 0 B 1 +ATOM 2020 N N . GLN B 1 51 ? 17.017 11.577 1.633 1.00 27.20 0 B 1 +ATOM 2021 C CA . GLN B 1 51 ? 16.677 12.905 2.129 1.00 23.91 0 B 1 +ATOM 2022 C C . GLN B 1 51 ? 17.852 13.870 2.166 1.00 22.69 0 B 1 +ATOM 2023 O O . GLN B 1 51 ? 19.008 13.467 2.050 1.00 22.12 0 B 1 +ATOM 2024 C CB . GLN B 1 51 ? 16.081 12.810 3.538 1.00 23.65 0 B 1 +ATOM 2025 C CG . GLN B 1 51 ? 14.756 12.076 3.632 1.00 25.97 0 B 1 +ATOM 2026 C CD . GLN B 1 51 ? 14.127 12.226 4.994 1.00 27.56 0 B 1 +ATOM 2027 N NE2 . GLN B 1 51 ? 12.881 12.684 5.021 1.00 32.50 0 B 1 +ATOM 2028 O OE1 . GLN B 1 51 ? 14.752 11.954 6.012 1.00 27.33 0 B 1 +ATOM 2029 N N . LEU B 1 52 ? 17.528 15.153 2.307 1.00 24.08 0 B 1 +ATOM 2030 C CA . LEU B 1 52 ? 18.520 16.219 2.414 1.00 18.76 0 B 1 +ATOM 2031 C C . LEU B 1 52 ? 18.382 16.774 3.844 1.00 19.09 0 B 1 +ATOM 2032 O O . LEU B 1 52 ? 17.341 16.601 4.477 1.00 18.27 0 B 1 +ATOM 2033 C CB . LEU B 1 52 ? 18.251 17.310 1.368 1.00 17.97 0 B 1 +ATOM 2034 C CG . LEU B 1 52 ? 18.409 16.899 -0.100 1.00 17.87 0 B 1 +ATOM 2035 C CD1 . LEU B 1 52 ? 18.006 18.047 -1.017 1.00 19.92 0 B 1 +ATOM 2036 C CD2 . LEU B 1 52 ? 19.846 16.468 -0.376 1.00 18.57 0 B 1 +ATOM 2037 N N . PRO B 1 53 ? 19.382 17.522 4.340 1.00 20.60 0 B 1 +ATOM 2038 C CA . PRO B 1 53 ? 20.643 17.930 3.718 1.00 17.36 0 B 1 +ATOM 2039 C C . PRO B 1 53 ? 21.683 16.862 3.415 1.00 19.27 0 B 1 +ATOM 2040 O O . PRO B 1 53 ? 21.692 15.771 3.989 1.00 20.48 0 B 1 +ATOM 2041 C CB . PRO B 1 53 ? 21.200 18.936 4.724 1.00 19.41 0 B 1 +ATOM 2042 C CG . PRO B 1 53 ? 20.752 18.362 6.035 1.00 13.61 0 B 1 +ATOM 2043 C CD . PRO B 1 53 ? 19.311 18.013 5.731 1.00 19.95 0 B 1 +ATOM 2044 N N . LYS B 1 54 ? 22.544 17.215 2.470 1.00 20.26 0 B 1 +ATOM 2045 C CA . LYS B 1 54 ? 23.671 16.408 2.048 1.00 14.30 0 B 1 +ATOM 2046 C C . LYS B 1 54 ? 24.800 17.406 2.267 1.00 13.60 0 B 1 +ATOM 2047 O O . LYS B 1 54 ? 24.646 18.592 1.984 1.00 16.89 0 B 1 +ATOM 2048 C CB . LYS B 1 54 ? 23.562 16.044 0.568 1.00 12.46 0 B 1 +ATOM 2049 C CG . LYS B 1 54 ? 24.774 15.291 0.037 1.00 20.55 0 B 1 +ATOM 2050 C CD . LYS B 1 54 ? 24.657 15.058 -1.453 1.00 24.79 0 B 1 +ATOM 2051 C CE . LYS B 1 54 ? 25.954 14.531 -2.029 1.00 27.06 0 B 1 +ATOM 2052 N NZ . LYS B 1 54 ? 25.850 14.396 -3.504 1.00 31.26 0 B 1 +ATOM 2053 N N . PHE B 1 55 ? 25.926 16.941 2.780 1.00 13.42 0 B 1 +ATOM 2054 C CA . PHE B 1 55 ? 27.038 17.831 3.071 1.00 18.50 0 B 1 +ATOM 2055 C C . PHE B 1 55 ? 28.334 17.255 2.542 1.00 22.01 0 B 1 +ATOM 2056 O O . PHE B 1 55 ? 28.500 16.045 2.471 1.00 19.16 0 B 1 +ATOM 2057 C CB . PHE B 1 55 ? 27.124 18.023 4.588 1.00 16.41 0 B 1 +ATOM 2058 C CG . PHE B 1 55 ? 28.160 19.015 5.034 1.00 17.96 0 B 1 +ATOM 2059 C CD1 . PHE B 1 55 ? 27.916 20.383 4.952 1.00 17.52 0 B 1 +ATOM 2060 C CD2 . PHE B 1 55 ? 29.357 18.578 5.599 1.00 19.77 0 B 1 +ATOM 2061 C CE1 . PHE B 1 55 ? 28.848 21.307 5.433 1.00 11.27 0 B 1 +ATOM 2062 C CE2 . PHE B 1 55 ? 30.297 19.495 6.085 1.00 20.95 0 B 1 +ATOM 2063 C CZ . PHE B 1 55 ? 30.039 20.863 6.001 1.00 13.89 0 B 1 +ATOM 2064 N N . GLN B 1 56 ? 29.243 18.132 2.140 1.00 21.28 0 B 1 +ATOM 2065 C CA . GLN B 1 56 ? 30.529 17.700 1.635 1.00 20.79 0 B 1 +ATOM 2066 C C . GLN B 1 56 ? 31.664 18.498 2.251 1.00 23.23 0 B 1 +ATOM 2067 O O . GLN B 1 56 ? 31.611 19.723 2.347 1.00 24.14 0 B 1 +ATOM 2068 C CB . GLN B 1 56 ? 30.576 17.789 0.108 1.00 24.95 0 B 1 +ATOM 2069 C CG . GLN B 1 56 ? 29.742 16.720 -0.584 1.00 30.61 0 B 1 +ATOM 2070 C CD . GLN B 1 56 ? 29.643 16.915 -2.085 1.00 37.29 0 B 1 +ATOM 2071 N NE2 . GLN B 1 56 ? 29.414 15.824 -2.807 1.00 44.15 0 B 1 +ATOM 2072 O OE1 . GLN B 1 56 ? 29.760 18.034 -2.593 1.00 38.31 0 B 1 +ATOM 2073 N N . ASP B 1 57 ? 32.649 17.764 2.746 1.00 21.60 0 B 1 +ATOM 2074 C CA . ASP B 1 57 ? 33.839 18.329 3.344 1.00 23.99 0 B 1 +ATOM 2075 C C . ASP B 1 57 ? 34.932 17.612 2.565 1.00 27.04 0 B 1 +ATOM 2076 O O . ASP B 1 57 ? 35.308 16.486 2.898 1.00 28.71 0 B 1 +ATOM 2077 C CB . ASP B 1 57 ? 33.904 17.972 4.832 1.00 21.13 0 B 1 +ATOM 2078 C CG . ASP B 1 57 ? 35.151 18.511 5.512 1.00 29.83 0 B 1 +ATOM 2079 O OD1 . ASP B 1 57 ? 35.960 19.213 4.863 1.00 34.77 0 B 1 +ATOM 2080 O OD2 . ASP B 1 57 ? 35.323 18.240 6.716 1.00 29.43 0 B 1 +ATOM 2081 N N . GLY B 1 58 ? 35.412 18.252 1.502 1.00 28.19 0 B 1 +ATOM 2082 C CA . GLY B 1 58 ? 36.419 17.622 0.668 1.00 24.07 0 B 1 +ATOM 2083 C C . GLY B 1 58 ? 35.688 16.504 -0.049 1.00 25.17 0 B 1 +ATOM 2084 O O . GLY B 1 58 ? 34.625 16.734 -0.627 1.00 29.51 0 B 1 +ATOM 2085 N N . ASP B 1 59 ? 36.210 15.285 0.025 1.00 28.44 0 B 1 +ATOM 2086 C CA . ASP B 1 59 ? 35.540 14.163 -0.624 1.00 30.63 0 B 1 +ATOM 2087 C C . ASP B 1 59 ? 34.660 13.365 0.345 1.00 31.12 0 B 1 +ATOM 2088 O O . ASP B 1 59 ? 34.103 12.326 -0.021 1.00 33.47 0 B 1 +ATOM 2089 C CB . ASP B 1 59 ? 36.545 13.257 -1.356 1.00 31.64 0 B 1 +ATOM 2090 C CG . ASP B 1 59 ? 37.405 12.430 -0.414 1.00 27.74 0 B 1 +ATOM 2091 O OD1 . ASP B 1 59 ? 37.603 12.835 0.758 1.00 28.29 0 B 1 +ATOM 2092 O OD2 . ASP B 1 59 ? 37.898 11.372 -0.869 1.00 28.97 0 B 1 +ATOM 2093 N N . LEU B 1 60 ? 34.542 13.859 1.579 1.00 30.41 0 B 1 +ATOM 2094 C CA . LEU B 1 60 ? 33.711 13.213 2.591 1.00 23.21 0 B 1 +ATOM 2095 C C . LEU B 1 60 ? 32.281 13.697 2.385 1.00 20.38 0 B 1 +ATOM 2096 O O . LEU B 1 60 ? 32.010 14.895 2.466 1.00 15.91 0 B 1 +ATOM 2097 C CB . LEU B 1 60 ? 34.175 13.600 3.999 1.00 25.65 0 B 1 +ATOM 2098 C CG . LEU B 1 60 ? 33.950 12.636 5.174 1.00 23.20 0 B 1 +ATOM 2099 C CD1 . LEU B 1 60 ? 33.643 13.432 6.425 1.00 17.98 0 B 1 +ATOM 2100 C CD2 . LEU B 1 60 ? 32.828 11.654 4.896 1.00 16.50 0 B 1 +ATOM 2101 N N . THR B 1 61 ? 31.378 12.767 2.094 1.00 23.88 0 B 1 +ATOM 2102 C CA . THR B 1 61 ? 29.975 13.092 1.882 1.00 22.51 0 B 1 +ATOM 2103 C C . THR B 1 61 ? 29.190 12.613 3.100 1.00 23.12 0 B 1 +ATOM 2104 O O . THR B 1 61 ? 29.277 11.445 3.483 1.00 21.55 0 B 1 +ATOM 2105 C CB . THR B 1 61 ? 29.432 12.417 0.606 1.00 22.40 0 B 1 +ATOM 2106 C CG2 . THR B 1 61 ? 27.949 12.727 0.413 1.00 21.65 0 B 1 +ATOM 2107 O OG1 . THR B 1 61 ? 30.171 12.885 -0.530 1.00 24.13 0 B 1 +ATOM 2108 N N . LEU B 1 62 ? 28.434 13.525 3.704 1.00 21.64 0 B 1 +ATOM 2109 C CA . LEU B 1 62 ? 27.642 13.230 4.891 1.00 17.75 0 B 1 +ATOM 2110 C C . LEU B 1 62 ? 26.154 13.511 4.715 1.00 19.65 0 B 1 +ATOM 2111 O O . LEU B 1 62 ? 25.751 14.300 3.862 1.00 23.89 0 B 1 +ATOM 2112 C CB . LEU B 1 62 ? 28.156 14.069 6.068 1.00 11.82 0 B 1 +ATOM 2113 C CG . LEU B 1 62 ? 29.161 13.533 7.094 1.00 14.10 0 B 1 +ATOM 2114 C CD1 . LEU B 1 62 ? 29.833 12.251 6.641 1.00 11.80 0 B 1 +ATOM 2115 C CD2 . LEU B 1 62 ? 30.181 14.617 7.399 1.00 9.23 0 B 1 +ATOM 2116 N N . TYR B 1 63 ? 25.348 12.821 5.513 1.00 15.53 0 B 1 +ATOM 2117 C CA . TYR B 1 63 ? 23.902 13.007 5.536 1.00 16.00 0 B 1 +ATOM 2118 C C . TYR B 1 63 ? 23.547 13.126 7.016 1.00 16.11 0 B 1 +ATOM 2119 O O . TYR B 1 63 ? 24.398 12.882 7.872 1.00 15.17 0 B 1 +ATOM 2120 C CB . TYR B 1 63 ? 23.171 11.825 4.889 1.00 16.23 0 B 1 +ATOM 2121 C CG . TYR B 1 63 ? 23.450 11.685 3.412 1.00 15.43 0 B 1 +ATOM 2122 C CD1 . TYR B 1 63 ? 22.657 12.343 2.471 1.00 18.53 0 B 1 +ATOM 2123 C CD2 . TYR B 1 63 ? 24.521 10.918 2.952 1.00 16.61 0 B 1 +ATOM 2124 C CE1 . TYR B 1 63 ? 22.923 12.250 1.110 1.00 14.71 0 B 1 +ATOM 2125 C CE2 . TYR B 1 63 ? 24.797 10.818 1.590 1.00 18.86 0 B 1 +ATOM 2126 C CZ . TYR B 1 63 ? 23.994 11.488 0.674 1.00 17.28 0 B 1 +ATOM 2127 O OH . TYR B 1 63 ? 24.276 11.412 -0.670 1.00 22.28 0 B 1 +ATOM 2128 N N . GLN B 1 64 ? 22.310 13.522 7.310 1.00 18.33 0 B 1 +ATOM 2129 C CA . GLN B 1 64 ? 21.836 13.696 8.685 1.00 15.45 0 B 1 +ATOM 2130 C C . GLN B 1 64 ? 22.383 15.003 9.270 1.00 16.13 0 B 1 +ATOM 2131 O O . GLN B 1 64 ? 23.583 15.137 9.514 1.00 18.87 0 B 1 +ATOM 2132 C CB . GLN B 1 64 ? 22.230 12.490 9.551 1.00 17.45 0 B 1 +ATOM 2133 C CG . GLN B 1 64 ? 21.594 11.170 9.112 1.00 14.78 0 B 1 +ATOM 2134 C CD . GLN B 1 64 ? 20.127 11.068 9.493 1.00 23.27 0 B 1 +ATOM 2135 N NE2 . GLN B 1 64 ? 19.499 9.946 9.151 1.00 24.01 0 B 1 +ATOM 2136 O OE1 . GLN B 1 64 ? 19.565 11.983 10.087 1.00 24.14 0 B 1 +ATOM 2137 N N . SER B 1 65 ? 21.486 15.962 9.485 1.00 12.73 0 B 1 +ATOM 2138 C CA . SER B 1 65 ? 21.850 17.276 10.004 1.00 12.51 0 B 1 +ATOM 2139 C C . SER B 1 65 ? 22.703 17.242 11.274 1.00 11.81 0 B 1 +ATOM 2140 O O . SER B 1 65 ? 23.700 17.964 11.365 1.00 15.58 0 B 1 +ATOM 2141 C CB . SER B 1 65 ? 20.598 18.118 10.231 1.00 11.16 0 B 1 +ATOM 2142 O OG . SER B 1 65 ? 19.717 17.484 11.140 1.00 11.48 0 B 1 +ATOM 2143 N N . ASN B 1 66 ? 22.332 16.392 12.232 1.00 12.83 0 B 1 +ATOM 2144 C CA . ASN B 1 66 ? 23.085 16.286 13.484 1.00 10.07 0 B 1 +ATOM 2145 C C . ASN B 1 66 ? 24.467 15.659 13.316 1.00 8.03 0 B 1 +ATOM 2146 O O . ASN B 1 66 ? 25.384 15.963 14.080 1.00 13.88 0 B 1 +ATOM 2147 C CB . ASN B 1 66 ? 22.277 15.536 14.550 1.00 11.02 0 B 1 +ATOM 2148 C CG . ASN B 1 66 ? 21.072 16.325 15.011 1.00 4.51 0 B 1 +ATOM 2149 N ND2 . ASN B 1 66 ? 19.884 15.766 14.821 1.00 8.90 0 B 1 +ATOM 2150 O OD1 . ASN B 1 66 ? 21.211 17.435 15.525 1.00 13.67 0 B 1 +ATOM 2151 N N . THR B 1 67 ? 24.619 14.775 12.331 1.00 11.64 0 B 1 +ATOM 2152 C CA . THR B 1 67 ? 25.917 14.162 12.058 1.00 15.35 0 B 1 +ATOM 2153 C C . THR B 1 67 ? 26.813 15.281 11.531 1.00 11.18 0 B 1 +ATOM 2154 O O . THR B 1 67 ? 27.978 15.382 11.898 1.00 15.08 0 B 1 +ATOM 2155 C CB . THR B 1 67 ? 25.813 13.043 11.010 1.00 12.27 0 B 1 +ATOM 2156 C CG2 . THR B 1 67 ? 27.182 12.605 10.546 1.00 12.54 0 B 1 +ATOM 2157 O OG1 . THR B 1 67 ? 25.137 11.924 11.586 1.00 14.39 0 B 1 +ATOM 2158 N N . ILE B 1 68 ? 26.239 16.141 10.693 1.00 13.26 0 B 1 +ATOM 2159 C CA . ILE B 1 68 ? 26.965 17.275 10.130 1.00 13.39 0 B 1 +ATOM 2160 C C . ILE B 1 68 ? 27.392 18.204 11.272 1.00 14.17 0 B 1 +ATOM 2161 O O . ILE B 1 68 ? 28.549 18.622 11.333 1.00 12.19 0 B 1 +ATOM 2162 C CB . ILE B 1 68 ? 26.089 18.036 9.109 1.00 13.10 0 B 1 +ATOM 2163 C CG1 . ILE B 1 68 ? 25.690 17.090 7.972 1.00 7.65 0 B 1 +ATOM 2164 C CG2 . ILE B 1 68 ? 26.846 19.242 8.554 1.00 6.73 0 B 1 +ATOM 2165 C CD1 . ILE B 1 68 ? 24.511 17.563 7.158 1.00 11.73 0 B 1 +ATOM 2166 N N . LEU B 1 69 ? 26.470 18.492 12.192 1.00 10.14 0 B 1 +ATOM 2167 C CA . LEU B 1 69 ? 26.774 19.346 13.342 1.00 6.69 0 B 1 +ATOM 2168 C C . LEU B 1 69 ? 27.904 18.758 14.187 1.00 11.27 0 B 1 +ATOM 2169 O O . LEU B 1 69 ? 28.863 19.456 14.527 1.00 20.78 0 B 1 +ATOM 2170 C CB . LEU B 1 69 ? 25.532 19.556 14.215 1.00 8.01 0 B 1 +ATOM 2171 C CG . LEU B 1 69 ? 24.531 20.606 13.735 1.00 14.20 0 B 1 +ATOM 2172 C CD1 . LEU B 1 69 ? 23.316 20.609 14.632 1.00 8.39 0 B 1 +ATOM 2173 C CD2 . LEU B 1 69 ? 25.189 21.984 13.736 1.00 15.97 0 B 1 +ATOM 2174 N N . ARG B 1 70 ? 27.813 17.462 14.483 1.00 12.45 0 B 1 +ATOM 2175 C CA . ARG B 1 70 ? 28.833 16.794 15.287 1.00 12.81 0 B 1 +ATOM 2176 C C . ARG B 1 70 ? 30.183 16.747 14.589 1.00 14.51 0 B 1 +ATOM 2177 O O . ARG B 1 70 ? 31.228 16.885 15.230 1.00 15.19 0 B 1 +ATOM 2178 C CB . ARG B 1 70 ? 28.378 15.391 15.690 1.00 11.01 0 B 1 +ATOM 2179 C CG . ARG B 1 70 ? 27.299 15.417 16.749 1.00 9.96 0 B 1 +ATOM 2180 C CD . ARG B 1 70 ? 26.967 14.039 17.299 1.00 14.20 0 B 1 +ATOM 2181 N NE . ARG B 1 70 ? 26.195 14.177 18.530 1.00 11.80 0 B 1 +ATOM 2182 C CZ . ARG B 1 70 ? 24.867 14.161 18.600 1.00 10.51 0 B 1 +ATOM 2183 N NH1 . ARG B 1 70 ? 24.140 13.991 17.503 1.00 15.75 0 B 1 +ATOM 2184 N NH2 . ARG B 1 70 ? 24.264 14.389 19.760 1.00 13.22 0 B 1 +ATOM 2185 N N . HIS B 1 71 ? 30.154 16.584 13.270 1.00 11.07 0 B 1 +ATOM 2186 C CA . HIS B 1 71 ? 31.377 16.538 12.484 1.00 15.16 0 B 1 +ATOM 2187 C C . HIS B 1 71 ? 32.098 17.883 12.556 1.00 15.92 0 B 1 +ATOM 2188 O O . HIS B 1 71 ? 33.309 17.940 12.777 1.00 19.34 0 B 1 +ATOM 2189 C CB . HIS B 1 71 ? 31.061 16.192 11.029 1.00 15.84 0 B 1 +ATOM 2190 C CG . HIS B 1 71 ? 32.245 16.289 10.127 1.00 14.29 0 B 1 +ATOM 2191 C CD2 . HIS B 1 71 ? 32.519 17.127 9.101 1.00 12.78 0 B 1 +ATOM 2192 N ND1 . HIS B 1 71 ? 33.357 15.491 10.279 1.00 14.54 0 B 1 +ATOM 2193 C CE1 . HIS B 1 71 ? 34.270 15.836 9.388 1.00 13.26 0 B 1 +ATOM 2194 N NE2 . HIS B 1 71 ? 33.786 16.828 8.662 1.00 17.57 0 B 1 +ATOM 2195 N N . LEU B 1 72 ? 31.345 18.959 12.349 1.00 19.01 0 B 1 +ATOM 2196 C CA . LEU B 1 72 ? 31.890 20.314 12.404 1.00 19.67 0 B 1 +ATOM 2197 C C . LEU B 1 72 ? 32.360 20.642 13.825 1.00 19.24 0 B 1 +ATOM 2198 O O . LEU B 1 72 ? 33.411 21.261 14.010 1.00 16.98 0 B 1 +ATOM 2199 C CB . LEU B 1 72 ? 30.833 21.325 11.944 1.00 14.89 0 B 1 +ATOM 2200 C CG . LEU B 1 72 ? 30.828 21.810 10.486 1.00 18.28 0 B 1 +ATOM 2201 C CD1 . LEU B 1 72 ? 31.622 20.888 9.583 1.00 15.36 0 B 1 +ATOM 2202 C CD2 . LEU B 1 72 ? 29.393 21.953 9.991 1.00 3.85 0 B 1 +ATOM 2203 N N . GLY B 1 73 ? 31.594 20.197 14.821 1.00 23.32 0 B 1 +ATOM 2204 C CA . GLY B 1 73 ? 31.957 20.446 16.206 1.00 19.52 0 B 1 +ATOM 2205 C C . GLY B 1 73 ? 33.255 19.749 16.563 1.00 19.66 0 B 1 +ATOM 2206 O O . GLY B 1 73 ? 34.080 20.275 17.301 1.00 18.15 0 B 1 +ATOM 2207 N N . ARG B 1 74 ? 33.459 18.575 15.984 1.00 22.42 0 B 1 +ATOM 2208 C CA . ARG B 1 74 ? 34.656 17.789 16.232 1.00 24.70 0 B 1 +ATOM 2209 C C . ARG B 1 74 ? 35.887 18.368 15.528 1.00 24.77 0 B 1 +ATOM 2210 O O . ARG B 1 74 ? 36.944 18.524 16.140 1.00 28.09 0 B 1 +ATOM 2211 C CB . ARG B 1 74 ? 34.399 16.351 15.776 1.00 25.52 0 B 1 +ATOM 2212 C CG . ARG B 1 74 ? 35.316 15.295 16.361 1.00 24.37 0 B 1 +ATOM 2213 C CD . ARG B 1 74 ? 34.562 13.971 16.477 1.00 24.88 0 B 1 +ATOM 2214 N NE . ARG B 1 74 ? 33.709 13.769 15.313 1.00 20.78 0 B 1 +ATOM 2215 C CZ . ARG B 1 74 ? 32.470 13.288 15.352 1.00 16.49 0 B 1 +ATOM 2216 N NH1 . ARG B 1 74 ? 31.919 12.931 16.502 1.00 4.74 0 B 1 +ATOM 2217 N NH2 . ARG B 1 74 ? 31.748 13.248 14.242 1.00 20.10 0 B 1 +ATOM 2218 N N . THR B 1 75 ? 35.740 18.711 14.250 1.00 23.47 0 B 1 +ATOM 2219 C CA . THR B 1 75 ? 36.852 19.252 13.466 1.00 20.60 0 B 1 +ATOM 2220 C C . THR B 1 75 ? 37.203 20.705 13.780 1.00 20.17 0 B 1 +ATOM 2221 O O . THR B 1 75 ? 38.362 21.099 13.670 1.00 23.34 0 B 1 +ATOM 2222 C CB . THR B 1 75 ? 36.596 19.118 11.949 1.00 21.35 0 B 1 +ATOM 2223 C CG2 . THR B 1 75 ? 36.543 17.648 11.536 1.00 12.30 0 B 1 +ATOM 2224 O OG1 . THR B 1 75 ? 35.351 19.744 11.617 1.00 20.74 0 B 1 +ATOM 2225 N N . LEU B 1 76 ? 36.206 21.494 14.171 1.00 20.46 0 B 1 +ATOM 2226 C CA . LEU B 1 76 ? 36.416 22.904 14.497 1.00 15.23 0 B 1 +ATOM 2227 C C . LEU B 1 76 ? 36.640 23.192 15.986 1.00 14.91 0 B 1 +ATOM 2228 O O . LEU B 1 76 ? 36.898 24.333 16.366 1.00 19.71 0 B 1 +ATOM 2229 C CB . LEU B 1 76 ? 35.251 23.743 13.971 1.00 14.56 0 B 1 +ATOM 2230 C CG . LEU B 1 76 ? 35.359 24.339 12.566 1.00 13.06 0 B 1 +ATOM 2231 C CD1 . LEU B 1 76 ? 36.216 23.475 11.659 1.00 15.21 0 B 1 +ATOM 2232 C CD2 . LEU B 1 76 ? 33.962 24.527 11.995 1.00 15.67 0 B 1 +ATOM 2233 N N . GLY B 1 77 ? 36.537 22.160 16.822 1.00 18.34 0 B 1 +ATOM 2234 C CA . GLY B 1 77 ? 36.747 22.332 18.252 1.00 19.68 0 B 1 +ATOM 2235 C C . GLY B 1 77 ? 35.595 22.964 19.020 1.00 22.38 0 B 1 +ATOM 2236 O O . GLY B 1 77 ? 35.814 23.785 19.912 1.00 20.58 0 B 1 +ATOM 2237 N N . LEU B 1 78 ? 34.369 22.585 18.670 1.00 14.63 0 B 1 +ATOM 2238 C CA . LEU B 1 78 ? 33.165 23.092 19.325 1.00 16.75 0 B 1 +ATOM 2239 C C . LEU B 1 78 ? 32.432 21.911 19.972 1.00 17.07 0 B 1 +ATOM 2240 O O . LEU B 1 78 ? 31.208 21.791 19.861 1.00 12.61 0 B 1 +ATOM 2241 C CB . LEU B 1 78 ? 32.247 23.751 18.288 1.00 15.81 0 B 1 +ATOM 2242 C CG . LEU B 1 78 ? 32.854 24.715 17.265 1.00 15.15 0 B 1 +ATOM 2243 C CD1 . LEU B 1 78 ? 31.762 25.193 16.324 1.00 16.96 0 B 1 +ATOM 2244 C CD2 . LEU B 1 78 ? 33.512 25.889 17.962 1.00 7.14 0 B 1 +ATOM 2245 N N . TYR B 1 79 ? 33.180 21.071 20.686 1.00 19.46 0 B 1 +ATOM 2246 C CA . TYR B 1 79 ? 32.618 19.874 21.312 1.00 19.01 0 B 1 +ATOM 2247 C C . TYR B 1 79 ? 33.033 19.698 22.782 1.00 21.35 0 B 1 +ATOM 2248 O O . TYR B 1 79 ? 33.209 18.571 23.251 1.00 22.00 0 B 1 +ATOM 2249 C CB . TYR B 1 79 ? 33.076 18.653 20.502 1.00 18.89 0 B 1 +ATOM 2250 C CG . TYR B 1 79 ? 32.037 17.573 20.309 1.00 10.76 0 B 1 +ATOM 2251 C CD1 . TYR B 1 79 ? 31.193 17.188 21.353 1.00 9.22 0 B 1 +ATOM 2252 C CD2 . TYR B 1 79 ? 31.906 16.929 19.079 1.00 7.06 0 B 1 +ATOM 2253 C CE1 . TYR B 1 79 ? 30.243 16.189 21.177 1.00 11.72 0 B 1 +ATOM 2254 C CE2 . TYR B 1 79 ? 30.960 15.927 18.891 1.00 7.18 0 B 1 +ATOM 2255 C CZ . TYR B 1 79 ? 30.129 15.563 19.946 1.00 13.15 0 B 1 +ATOM 2256 O OH . TYR B 1 79 ? 29.176 14.589 19.760 1.00 15.08 0 B 1 +ATOM 2257 N N . GLY B 1 80 ? 33.160 20.807 23.508 1.00 19.80 0 B 1 +ATOM 2258 C CA . GLY B 1 80 ? 33.561 20.748 24.908 1.00 12.19 0 B 1 +ATOM 2259 C C . GLY B 1 80 ? 35.066 20.664 25.082 1.00 15.73 0 B 1 +ATOM 2260 O O . GLY B 1 80 ? 35.788 20.366 24.130 1.00 15.99 0 B 1 +ATOM 2261 N N . LYS B 1 81 ? 35.547 20.902 26.299 1.00 14.72 0 B 1 +ATOM 2262 C CA . LYS B 1 81 ? 36.982 20.858 26.564 1.00 22.97 0 B 1 +ATOM 2263 C C . LYS B 1 81 ? 37.467 19.447 26.886 1.00 19.89 0 B 1 +ATOM 2264 O O . LYS B 1 81 ? 38.660 19.159 26.798 1.00 19.25 0 B 1 +ATOM 2265 C CB . LYS B 1 81 ? 37.359 21.824 27.693 1.00 30.55 0 B 1 +ATOM 2266 C CG . LYS B 1 81 ? 36.887 21.391 29.062 1.00 31.93 0 B 1 +ATOM 2267 C CD . LYS B 1 81 ? 37.378 22.337 30.143 1.00 37.60 0 B 1 +ATOM 2268 C CE . LYS B 1 81 ? 37.171 21.740 31.527 1.00 40.93 0 B 1 +ATOM 2269 N NZ . LYS B 1 81 ? 35.744 21.403 31.797 1.00 51.28 0 B 1 +ATOM 2270 N N . ASP B 1 82 ? 36.541 18.570 27.260 1.00 21.42 0 B 1 +ATOM 2271 C CA . ASP B 1 82 ? 36.883 17.188 27.580 1.00 25.99 0 B 1 +ATOM 2272 C C . ASP B 1 82 ? 35.704 16.241 27.343 1.00 21.69 0 B 1 +ATOM 2273 O O . ASP B 1 82 ? 34.642 16.671 26.892 1.00 16.34 0 B 1 +ATOM 2274 C CB . ASP B 1 82 ? 37.418 17.072 29.019 1.00 25.13 0 B 1 +ATOM 2275 C CG . ASP B 1 82 ? 36.453 17.617 30.071 1.00 23.40 0 B 1 +ATOM 2276 O OD1 . ASP B 1 82 ? 35.220 17.546 29.888 1.00 24.50 0 B 1 +ATOM 2277 O OD2 . ASP B 1 82 ? 36.942 18.108 31.108 1.00 28.21 0 B 1 +ATOM 2278 N N . GLN B 1 83 ? 35.884 14.960 27.665 1.00 18.02 0 B 1 +ATOM 2279 C CA . GLN B 1 83 ? 34.834 13.962 27.465 1.00 20.57 0 B 1 +ATOM 2280 C C . GLN B 1 83 ? 33.572 14.230 28.261 1.00 22.09 0 B 1 +ATOM 2281 O O . GLN B 1 83 ? 32.466 14.012 27.765 1.00 17.96 0 B 1 +ATOM 2282 C CB . GLN B 1 83 ? 35.340 12.555 27.766 1.00 23.75 0 B 1 +ATOM 2283 C CG . GLN B 1 83 ? 36.347 12.027 26.760 1.00 32.41 0 B 1 +ATOM 2284 C CD . GLN B 1 83 ? 36.828 10.626 27.100 1.00 33.11 0 B 1 +ATOM 2285 N NE2 . GLN B 1 83 ? 36.837 10.292 28.390 1.00 31.37 0 B 1 +ATOM 2286 O OE1 . GLN B 1 83 ? 37.203 9.861 26.217 1.00 31.05 0 B 1 +ATOM 2287 N N . GLN B 1 84 ? 33.729 14.703 29.492 1.00 22.56 0 B 1 +ATOM 2288 C CA . GLN B 1 84 ? 32.572 15.001 30.328 1.00 24.05 0 B 1 +ATOM 2289 C C . GLN B 1 84 ? 31.706 16.068 29.664 1.00 23.71 0 B 1 +ATOM 2290 O O . GLN B 1 84 ? 30.487 15.904 29.555 1.00 23.56 0 B 1 +ATOM 2291 C CB . GLN B 1 84 ? 33.003 15.462 31.721 1.00 28.26 0 B 1 +ATOM 2292 C CG . GLN B 1 84 ? 31.832 15.842 32.616 1.00 37.55 0 B 1 +ATOM 2293 C CD . GLN B 1 84 ? 32.243 16.103 34.049 1.00 43.75 0 B 1 +ATOM 2294 N NE2 . GLN B 1 84 ? 31.713 17.174 34.631 1.00 50.73 0 B 1 +ATOM 2295 O OE1 . GLN B 1 84 ? 33.021 15.347 34.629 1.00 44.98 0 B 1 +ATOM 2296 N N . GLU B 1 85 ? 32.346 17.141 29.197 1.00 16.23 0 B 1 +ATOM 2297 C CA . GLU B 1 85 ? 31.629 18.223 28.526 1.00 17.26 0 B 1 +ATOM 2298 C C . GLU B 1 85 ? 31.038 17.732 27.213 1.00 17.00 0 B 1 +ATOM 2299 O O . GLU B 1 85 ? 29.926 18.118 26.856 1.00 18.48 0 B 1 +ATOM 2300 C CB . GLU B 1 85 ? 32.541 19.426 28.269 1.00 15.96 0 B 1 +ATOM 2301 C CG . GLU B 1 85 ? 33.034 20.106 29.532 1.00 18.26 0 B 1 +ATOM 2302 C CD . GLU B 1 85 ? 33.398 21.567 29.325 1.00 19.69 0 B 1 +ATOM 2303 O OE1 . GLU B 1 85 ? 33.661 21.982 28.173 1.00 14.25 0 B 1 +ATOM 2304 O OE2 . GLU B 1 85 ? 33.404 22.308 30.332 1.00 21.88 0 B 1 +ATOM 2305 N N . ALA B 1 86 ? 31.776 16.866 26.514 1.00 10.35 0 B 1 +ATOM 2306 C CA . ALA B 1 86 ? 31.319 16.303 25.245 1.00 12.38 0 B 1 +ATOM 2307 C C . ALA B 1 86 ? 30.008 15.557 25.452 1.00 15.80 0 B 1 +ATOM 2308 O O . ALA B 1 86 ? 29.086 15.662 24.636 1.00 19.57 0 B 1 +ATOM 2309 C CB . ALA B 1 86 ? 32.370 15.372 24.672 1.00 8.65 0 B 1 +ATOM 2310 N N . ALA B 1 87 ? 29.919 14.829 26.565 1.00 10.48 0 B 1 +ATOM 2311 C CA . ALA B 1 87 ? 28.711 14.078 26.897 1.00 11.28 0 B 1 +ATOM 2312 C C . ALA B 1 87 ? 27.547 15.033 27.175 1.00 10.81 0 B 1 +ATOM 2313 O O . ALA B 1 87 ? 26.414 14.784 26.757 1.00 8.81 0 B 1 +ATOM 2314 C CB . ALA B 1 87 ? 28.963 13.181 28.101 1.00 8.50 0 B 1 +ATOM 2315 N N . LEU B 1 88 ? 27.836 16.138 27.862 1.00 15.07 0 B 1 +ATOM 2316 C CA . LEU B 1 88 ? 26.813 17.132 28.189 1.00 15.81 0 B 1 +ATOM 2317 C C . LEU B 1 88 ? 26.309 17.856 26.939 1.00 14.54 0 B 1 +ATOM 2318 O O . LEU B 1 88 ? 25.115 18.135 26.813 1.00 21.48 0 B 1 +ATOM 2319 C CB . LEU B 1 88 ? 27.346 18.130 29.221 1.00 12.21 0 B 1 +ATOM 2320 C CG . LEU B 1 88 ? 27.814 17.500 30.538 1.00 16.17 0 B 1 +ATOM 2321 C CD1 . LEU B 1 88 ? 28.291 18.577 31.499 1.00 11.56 0 B 1 +ATOM 2322 C CD2 . LEU B 1 88 ? 26.685 16.686 31.159 1.00 4.00 0 B 1 +ATOM 2323 N N . VAL B 1 89 ? 27.222 18.129 26.006 1.00 14.12 0 B 1 +ATOM 2324 C CA . VAL B 1 89 ? 26.884 18.790 24.745 1.00 10.84 0 B 1 +ATOM 2325 C C . VAL B 1 89 ? 25.902 17.905 23.963 1.00 12.72 0 B 1 +ATOM 2326 O O . VAL B 1 89 ? 24.910 18.398 23.412 1.00 12.31 0 B 1 +ATOM 2327 C CB . VAL B 1 89 ? 28.152 19.048 23.890 1.00 13.04 0 B 1 +ATOM 2328 C CG1 . VAL B 1 89 ? 27.769 19.597 22.529 1.00 14.12 0 B 1 +ATOM 2329 C CG2 . VAL B 1 89 ? 29.079 20.024 24.603 1.00 9.48 0 B 1 +ATOM 2330 N N . ASP B 1 90 ? 26.182 16.598 23.937 1.00 13.04 0 B 1 +ATOM 2331 C CA . ASP B 1 90 ? 25.326 15.624 23.261 1.00 12.60 0 B 1 +ATOM 2332 C C . ASP B 1 90 ? 23.949 15.585 23.907 1.00 14.82 0 B 1 +ATOM 2333 O O . ASP B 1 90 ? 22.933 15.535 23.218 1.00 16.20 0 B 1 +ATOM 2334 C CB . ASP B 1 90 ? 25.940 14.218 23.323 1.00 14.73 0 B 1 +ATOM 2335 C CG . ASP B 1 90 ? 27.019 14.002 22.289 1.00 8.94 0 B 1 +ATOM 2336 O OD1 . ASP B 1 90 ? 26.959 14.637 21.213 1.00 11.82 0 B 1 +ATOM 2337 O OD2 . ASP B 1 90 ? 27.936 13.204 22.566 1.00 10.48 0 B 1 +ATOM 2338 N N . MET B 1 91 ? 23.924 15.588 25.238 1.00 15.38 0 B 1 +ATOM 2339 C CA . MET B 1 91 ? 22.672 15.555 25.986 1.00 9.69 0 B 1 +ATOM 2340 C C . MET B 1 91 ? 21.813 16.771 25.659 1.00 6.22 0 B 1 +ATOM 2341 O O . MET B 1 91 ? 20.588 16.663 25.543 1.00 9.91 0 B 1 +ATOM 2342 C CB . MET B 1 91 ? 22.956 15.477 27.488 1.00 7.41 0 B 1 +ATOM 2343 C CG . MET B 1 91 ? 21.707 15.396 28.351 1.00 14.08 0 B 1 +ATOM 2344 S SD . MET B 1 91 ? 22.102 15.155 30.091 1.00 21.25 0 B 1 +ATOM 2345 C CE . MET B 1 91 ? 23.017 16.647 30.464 1.00 26.47 0 B 1 +ATOM 2346 N N . VAL B 1 92 ? 22.458 17.927 25.515 1.00 9.36 0 B 1 +ATOM 2347 C CA . VAL B 1 92 ? 21.746 19.157 25.170 1.00 8.98 0 B 1 +ATOM 2348 C C . VAL B 1 92 ? 21.214 19.040 23.741 1.00 9.84 0 B 1 +ATOM 2349 O O . VAL B 1 92 ? 20.031 19.262 23.500 1.00 9.20 0 B 1 +ATOM 2350 C CB . VAL B 1 92 ? 22.671 20.407 25.281 1.00 9.32 0 B 1 +ATOM 2351 C CG1 . VAL B 1 92 ? 21.952 21.644 24.752 1.00 11.47 0 B 1 +ATOM 2352 C CG2 . VAL B 1 92 ? 23.086 20.631 26.732 1.00 5.81 0 B 1 +ATOM 2353 N N . ASN B 1 93 ? 22.072 18.629 22.808 1.00 11.65 0 B 1 +ATOM 2354 C CA . ASN B 1 93 ? 21.668 18.489 21.410 1.00 10.26 0 B 1 +ATOM 2355 C C . ASN B 1 93 ? 20.535 17.488 21.208 1.00 14.69 0 B 1 +ATOM 2356 O O . ASN B 1 93 ? 19.615 17.745 20.426 1.00 16.87 0 B 1 +ATOM 2357 C CB . ASN B 1 93 ? 22.855 18.117 20.516 1.00 11.24 0 B 1 +ATOM 2358 C CG . ASN B 1 93 ? 22.628 18.539 19.071 1.00 13.05 0 B 1 +ATOM 2359 N ND2 . ASN B 1 93 ? 22.480 17.570 18.173 1.00 9.83 0 B 1 +ATOM 2360 O OD1 . ASN B 1 93 ? 22.579 19.731 18.777 1.00 14.43 0 B 1 +ATOM 2361 N N . ASP B 1 94 ? 20.599 16.355 21.910 1.00 12.39 0 B 1 +ATOM 2362 C CA . ASP B 1 94 ? 19.549 15.339 21.806 1.00 9.81 0 B 1 +ATOM 2363 C C . ASP B 1 94 ? 18.238 15.923 22.316 1.00 10.61 0 B 1 +ATOM 2364 O O . ASP B 1 94 ? 17.166 15.611 21.793 1.00 8.62 0 B 1 +ATOM 2365 C CB . ASP B 1 94 ? 19.918 14.083 22.604 1.00 12.52 0 B 1 +ATOM 2366 C CG . ASP B 1 94 ? 21.011 13.259 21.939 1.00 16.62 0 B 1 +ATOM 2367 O OD1 . ASP B 1 94 ? 21.498 13.644 20.856 1.00 18.12 0 B 1 +ATOM 2368 O OD2 . ASP B 1 94 ? 21.404 12.224 22.509 1.00 23.08 0 B 1 +ATOM 2369 N N . GLY B 1 95 ? 18.336 16.778 23.333 1.00 7.99 0 B 1 +ATOM 2370 C CA . GLY B 1 95 ? 17.158 17.425 23.879 1.00 13.24 0 B 1 +ATOM 2371 C C . GLY B 1 95 ? 16.588 18.374 22.842 1.00 13.84 0 B 1 +ATOM 2372 O O . GLY B 1 95 ? 15.378 18.397 22.616 1.00 9.20 0 B 1 +ATOM 2373 N N . VAL B 1 96 ? 17.463 19.141 22.190 1.00 12.03 0 B 1 +ATOM 2374 C CA . VAL B 1 96 ? 17.038 20.080 21.154 1.00 13.90 0 B 1 +ATOM 2375 C C . VAL B 1 96 ? 16.352 19.311 20.018 1.00 13.45 0 B 1 +ATOM 2376 O O . VAL B 1 96 ? 15.270 19.694 19.564 1.00 19.59 0 B 1 +ATOM 2377 C CB . VAL B 1 96 ? 18.241 20.868 20.583 1.00 17.15 0 B 1 +ATOM 2378 C CG1 . VAL B 1 96 ? 17.815 21.698 19.370 1.00 15.07 0 B 1 +ATOM 2379 C CG2 . VAL B 1 96 ? 18.839 21.762 21.660 1.00 14.81 0 B 1 +ATOM 2380 N N . GLU B 1 97 ? 16.970 18.204 19.602 1.00 14.37 0 B 1 +ATOM 2381 C CA . GLU B 1 97 ? 16.447 17.363 18.527 1.00 16.17 0 B 1 +ATOM 2382 C C . GLU B 1 97 ? 15.045 16.827 18.829 1.00 12.68 0 B 1 +ATOM 2383 O O . GLU B 1 97 ? 14.189 16.795 17.943 1.00 19.00 0 B 1 +ATOM 2384 C CB . GLU B 1 97 ? 17.425 16.217 18.231 1.00 11.80 0 B 1 +ATOM 2385 C CG . GLU B 1 97 ? 16.930 15.182 17.217 1.00 13.83 0 B 1 +ATOM 2386 C CD . GLU B 1 97 ? 16.542 15.782 15.868 1.00 17.77 0 B 1 +ATOM 2387 O OE1 . GLU B 1 97 ? 17.213 16.728 15.403 1.00 15.40 0 B 1 +ATOM 2388 O OE2 . GLU B 1 97 ? 15.558 15.300 15.270 1.00 15.58 0 B 1 +ATOM 2389 N N . ASP B 1 98 ? 14.811 16.422 20.078 1.00 12.38 0 B 1 +ATOM 2390 C CA . ASP B 1 98 ? 13.501 15.916 20.485 1.00 13.84 0 B 1 +ATOM 2391 C C . ASP B 1 98 ? 12.428 16.985 20.324 1.00 13.89 0 B 1 +ATOM 2392 O O . ASP B 1 98 ? 11.354 16.722 19.773 1.00 10.86 0 B 1 +ATOM 2393 C CB . ASP B 1 98 ? 13.523 15.428 21.941 1.00 16.79 0 B 1 +ATOM 2394 C CG . ASP B 1 98 ? 14.125 14.036 22.094 1.00 15.21 0 B 1 +ATOM 2395 O OD1 . ASP B 1 98 ? 14.294 13.323 21.080 1.00 16.02 0 B 1 +ATOM 2396 O OD2 . ASP B 1 98 ? 14.436 13.658 23.242 1.00 23.06 0 B 1 +ATOM 2397 N N . LEU B 1 99 ? 12.712 18.192 20.808 1.00 14.52 0 B 1 +ATOM 2398 C CA . LEU B 1 99 ? 11.748 19.283 20.691 1.00 15.45 0 B 1 +ATOM 2399 C C . LEU B 1 99 ? 11.590 19.711 19.229 1.00 13.07 0 B 1 +ATOM 2400 O O . LEU B 1 99 ? 10.497 20.071 18.801 1.00 12.12 0 B 1 +ATOM 2401 C CB . LEU B 1 99 ? 12.147 20.466 21.576 1.00 13.16 0 B 1 +ATOM 2402 C CG . LEU B 1 99 ? 11.181 21.659 21.589 1.00 18.42 0 B 1 +ATOM 2403 C CD1 . LEU B 1 99 ? 9.746 21.199 21.787 1.00 15.59 0 B 1 +ATOM 2404 C CD2 . LEU B 1 99 ? 11.587 22.628 22.685 1.00 14.72 0 B 1 +ATOM 2405 N N . ARG B 1 100 ? 12.669 19.625 18.457 1.00 11.33 0 B 1 +ATOM 2406 C CA . ARG B 1 100 ? 12.616 19.991 17.044 1.00 14.66 0 B 1 +ATOM 2407 C C . ARG B 1 100 ? 11.662 19.064 16.289 1.00 14.20 0 B 1 +ATOM 2408 O O . ARG B 1 100 ? 10.905 19.522 15.438 1.00 18.91 0 B 1 +ATOM 2409 C CB . ARG B 1 100 ? 14.010 19.963 16.409 1.00 12.71 0 B 1 +ATOM 2410 C CG . ARG B 1 100 ? 14.030 20.509 14.987 1.00 7.31 0 B 1 +ATOM 2411 C CD . ARG B 1 100 ? 15.426 20.507 14.384 1.00 6.50 0 B 1 +ATOM 2412 N NE . ARG B 1 100 ? 16.329 21.450 15.044 1.00 11.92 0 B 1 +ATOM 2413 C CZ . ARG B 1 100 ? 16.341 22.765 14.831 1.00 13.14 0 B 1 +ATOM 2414 N NH1 . ARG B 1 100 ? 15.489 23.318 13.972 1.00 15.16 0 B 1 +ATOM 2415 N NH2 . ARG B 1 100 ? 17.218 23.530 15.469 1.00 11.67 0 B 1 +ATOM 2416 N N . CYS B 1 101 ? 11.678 17.770 16.622 1.00 7.87 0 B 1 +ATOM 2417 C CA . CYS B 1 101 ? 10.790 16.800 15.979 1.00 13.00 0 B 1 +ATOM 2418 C C . CYS B 1 101 ? 9.335 17.124 16.262 1.00 13.01 0 B 1 +ATOM 2419 O O . CYS B 1 101 ? 8.483 16.982 15.386 1.00 14.91 0 B 1 +ATOM 2420 C CB . CYS B 1 101 ? 11.092 15.375 16.441 1.00 14.48 0 B 1 +ATOM 2421 S SG . CYS B 1 101 ? 12.566 14.679 15.689 1.00 22.37 0 B 1 +ATOM 2422 N N . LYS B 1 102 ? 9.052 17.550 17.489 1.00 11.28 0 B 1 +ATOM 2423 C CA . LYS B 1 102 ? 7.690 17.910 17.868 1.00 10.20 0 B 1 +ATOM 2424 C C . LYS B 1 102 ? 7.270 19.145 17.081 1.00 12.22 0 B 1 +ATOM 2425 O O . LYS B 1 102 ? 6.141 19.227 16.605 1.00 20.46 0 B 1 +ATOM 2426 C CB . LYS B 1 102 ? 7.607 18.191 19.366 1.00 15.62 0 B 1 +ATOM 2427 C CG . LYS B 1 102 ? 7.880 16.969 20.214 1.00 22.65 0 B 1 +ATOM 2428 C CD . LYS B 1 102 ? 7.819 17.294 21.684 1.00 26.22 0 B 1 +ATOM 2429 C CE . LYS B 1 102 ? 8.025 16.044 22.512 1.00 31.09 0 B 1 +ATOM 2430 N NZ . LYS B 1 102 ? 8.034 16.358 23.964 1.00 37.97 0 B 1 +ATOM 2431 N N . TYR B 1 103 ? 8.198 20.090 16.935 1.00 16.57 0 B 1 +ATOM 2432 C CA . TYR B 1 103 ? 7.954 21.321 16.190 1.00 14.18 0 B 1 +ATOM 2433 C C . TYR B 1 103 ? 7.651 20.977 14.733 1.00 17.86 0 B 1 +ATOM 2434 O O . TYR B 1 103 ? 6.667 21.450 14.167 1.00 23.77 0 B 1 +ATOM 2435 C CB . TYR B 1 103 ? 9.184 22.241 16.271 1.00 19.00 0 B 1 +ATOM 2436 C CG . TYR B 1 103 ? 9.153 23.430 15.325 1.00 22.64 0 B 1 +ATOM 2437 C CD1 . TYR B 1 103 ? 8.483 24.602 15.671 1.00 16.72 0 B 1 +ATOM 2438 C CD2 . TYR B 1 103 ? 9.793 23.384 14.084 1.00 15.31 0 B 1 +ATOM 2439 C CE1 . TYR B 1 103 ? 8.447 25.700 14.812 1.00 16.96 0 B 1 +ATOM 2440 C CE2 . TYR B 1 103 ? 9.761 24.482 13.213 1.00 16.72 0 B 1 +ATOM 2441 C CZ . TYR B 1 103 ? 9.086 25.636 13.587 1.00 15.87 0 B 1 +ATOM 2442 O OH . TYR B 1 103 ? 9.052 26.724 12.741 1.00 16.12 0 B 1 +ATOM 2443 N N . ILE B 1 104 ? 8.495 20.132 14.145 1.00 16.36 0 B 1 +ATOM 2444 C CA . ILE B 1 104 ? 8.338 19.704 12.761 1.00 11.43 0 B 1 +ATOM 2445 C C . ILE B 1 104 ? 7.009 18.978 12.564 1.00 16.27 0 B 1 +ATOM 2446 O O . ILE B 1 104 ? 6.310 19.200 11.577 1.00 21.02 0 B 1 +ATOM 2447 C CB . ILE B 1 104 ? 9.524 18.809 12.332 1.00 15.23 0 B 1 +ATOM 2448 C CG1 . ILE B 1 104 ? 10.794 19.659 12.248 1.00 13.26 0 B 1 +ATOM 2449 C CG2 . ILE B 1 104 ? 9.239 18.129 10.989 1.00 16.32 0 B 1 +ATOM 2450 C CD1 . ILE B 1 104 ? 12.059 18.852 12.096 1.00 5.97 0 B 1 +ATOM 2451 N N . SER B 1 105 ? 6.647 18.138 13.528 1.00 19.94 0 B 1 +ATOM 2452 C CA . SER B 1 105 ? 5.395 17.401 13.455 1.00 22.11 0 B 1 +ATOM 2453 C C . SER B 1 105 ? 4.225 18.376 13.427 1.00 20.95 0 B 1 +ATOM 2454 O O . SER B 1 105 ? 3.277 18.187 12.676 1.00 12.98 0 B 1 +ATOM 2455 C CB . SER B 1 105 ? 5.260 16.454 14.646 1.00 22.80 0 B 1 +ATOM 2456 O OG . SER B 1 105 ? 4.076 15.684 14.542 1.00 28.87 0 B 1 +ATOM 2457 N N . LEU B 1 106 ? 4.302 19.428 14.238 1.00 19.90 0 B 1 +ATOM 2458 C CA . LEU B 1 106 ? 3.243 20.435 14.283 1.00 21.12 0 B 1 +ATOM 2459 C C . LEU B 1 106 ? 3.116 21.168 12.946 1.00 19.03 0 B 1 +ATOM 2460 O O . LEU B 1 106 ? 2.035 21.234 12.363 1.00 22.25 0 B 1 +ATOM 2461 C CB . LEU B 1 106 ? 3.521 21.456 15.390 1.00 20.42 0 B 1 +ATOM 2462 C CG . LEU B 1 106 ? 2.609 22.690 15.396 1.00 21.59 0 B 1 +ATOM 2463 C CD1 . LEU B 1 106 ? 1.190 22.296 15.764 1.00 15.85 0 B 1 +ATOM 2464 C CD2 . LEU B 1 106 ? 3.136 23.722 16.366 1.00 18.89 0 B 1 +ATOM 2465 N N . ILE B 1 107 ? 4.238 21.706 12.475 1.00 19.23 0 B 1 +ATOM 2466 C CA . ILE B 1 107 ? 4.301 22.455 11.222 1.00 19.98 0 B 1 +ATOM 2467 C C . ILE B 1 107 ? 3.781 21.697 9.996 1.00 18.68 0 B 1 +ATOM 2468 O O . ILE B 1 107 ? 2.953 22.214 9.241 1.00 21.89 0 B 1 +ATOM 2469 C CB . ILE B 1 107 ? 5.750 22.927 10.947 1.00 22.31 0 B 1 +ATOM 2470 C CG1 . ILE B 1 107 ? 6.208 23.887 12.046 1.00 16.47 0 B 1 +ATOM 2471 C CG2 . ILE B 1 107 ? 5.851 23.592 9.585 1.00 22.52 0 B 1 +ATOM 2472 C CD1 . ILE B 1 107 ? 5.366 25.145 12.168 1.00 13.73 0 B 1 +ATOM 2473 N N . TYR B 1 108 ? 4.242 20.464 9.824 1.00 17.22 0 B 1 +ATOM 2474 C CA . TYR B 1 108 ? 3.856 19.651 8.679 1.00 20.06 0 B 1 +ATOM 2475 C C . TYR B 1 108 ? 2.638 18.741 8.828 1.00 21.94 0 B 1 +ATOM 2476 O O . TYR B 1 108 ? 2.021 18.380 7.832 1.00 28.10 0 B 1 +ATOM 2477 C CB . TYR B 1 108 ? 5.061 18.830 8.210 1.00 20.75 0 B 1 +ATOM 2478 C CG . TYR B 1 108 ? 6.208 19.676 7.688 1.00 20.47 0 B 1 +ATOM 2479 C CD1 . TYR B 1 108 ? 6.221 20.125 6.366 1.00 19.86 0 B 1 +ATOM 2480 C CD2 . TYR B 1 108 ? 7.282 20.026 8.508 1.00 22.86 0 B 1 +ATOM 2481 C CE1 . TYR B 1 108 ? 7.282 20.904 5.867 1.00 14.96 0 B 1 +ATOM 2482 C CE2 . TYR B 1 108 ? 8.347 20.806 8.020 1.00 24.86 0 B 1 +ATOM 2483 C CZ . TYR B 1 108 ? 8.341 21.240 6.698 1.00 22.75 0 B 1 +ATOM 2484 O OH . TYR B 1 108 ? 9.388 22.002 6.214 1.00 26.87 0 B 1 +ATOM 2485 N N . THR B 1 109 ? 2.273 18.393 10.056 1.00 27.30 0 B 1 +ATOM 2486 C CA . THR B 1 109 ? 1.141 17.493 10.283 1.00 30.81 0 B 1 +ATOM 2487 C C . THR B 1 109 ? -0.188 18.145 10.656 1.00 30.77 0 B 1 +ATOM 2488 O O . THR B 1 109 ? -1.214 17.829 10.052 1.00 30.62 0 B 1 +ATOM 2489 C CB . THR B 1 109 ? 1.513 16.391 11.303 1.00 29.42 0 B 1 +ATOM 2490 C CG2 . THR B 1 109 ? 0.307 15.529 11.661 1.00 36.15 0 B 1 +ATOM 2491 O OG1 . THR B 1 109 ? 2.545 15.570 10.741 1.00 35.24 0 B 1 +ATOM 2492 N N . ASN B 1 110 ? -0.187 19.046 11.634 1.00 28.95 0 B 1 +ATOM 2493 C CA . ASN B 1 110 ? -1.432 19.699 12.038 1.00 33.26 0 B 1 +ATOM 2494 C C . ASN B 1 110 ? -1.225 21.057 12.703 1.00 32.66 0 B 1 +ATOM 2495 O O . ASN B 1 110 ? -1.492 21.239 13.894 1.00 30.82 0 B 1 +ATOM 2496 C CB . ASN B 1 110 ? -2.274 18.769 12.929 1.00 38.70 0 B 1 +ATOM 2497 C CG . ASN B 1 110 ? -1.624 18.477 14.272 1.00 40.80 0 B 1 +ATOM 2498 N ND2 . ASN B 1 110 ? -0.291 18.437 14.304 1.00 41.82 0 B 1 +ATOM 2499 O OD1 . ASN B 1 110 ? -2.316 18.297 15.273 1.00 39.91 0 B 1 +ATOM 2500 N N . TYR B 1 111 ? -0.765 22.016 11.905 1.00 32.60 0 B 1 +ATOM 2501 C CA . TYR B 1 111 ? -0.513 23.365 12.382 1.00 31.75 0 B 1 +ATOM 2502 C C . TYR B 1 111 ? -1.771 24.047 12.921 1.00 31.60 0 B 1 +ATOM 2503 O O . TYR B 1 111 ? -1.804 24.479 14.073 1.00 33.61 0 B 1 +ATOM 2504 C CB . TYR B 1 111 ? 0.096 24.206 11.261 1.00 24.96 0 B 1 +ATOM 2505 C CG . TYR B 1 111 ? 0.426 25.621 11.673 1.00 27.87 0 B 1 +ATOM 2506 C CD1 . TYR B 1 111 ? 1.664 25.932 12.233 1.00 29.51 0 B 1 +ATOM 2507 C CD2 . TYR B 1 111 ? -0.505 26.647 11.520 1.00 25.98 0 B 1 +ATOM 2508 C CE1 . TYR B 1 111 ? 1.966 27.231 12.632 1.00 30.27 0 B 1 +ATOM 2509 C CE2 . TYR B 1 111 ? -0.215 27.947 11.918 1.00 23.37 0 B 1 +ATOM 2510 C CZ . TYR B 1 111 ? 1.021 28.232 12.473 1.00 30.66 0 B 1 +ATOM 2511 O OH . TYR B 1 111 ? 1.304 29.514 12.883 1.00 31.25 0 B 1 +ATOM 2512 N N . GLU B 1 112 ? -2.799 24.128 12.081 1.00 37.95 0 B 1 +ATOM 2513 C CA . GLU B 1 112 ? -4.061 24.774 12.438 1.00 40.32 0 B 1 +ATOM 2514 C C . GLU B 1 112 ? -4.682 24.216 13.704 1.00 39.96 0 B 1 +ATOM 2515 O O . GLU B 1 112 ? -4.957 24.955 14.646 1.00 37.48 0 B 1 +ATOM 2516 C CB . GLU B 1 112 ? -5.072 24.656 11.293 1.00 45.58 0 B 1 +ATOM 2517 C CG . GLU B 1 112 ? -4.747 25.487 10.056 1.00 57.87 0 B 1 +ATOM 2518 C CD . GLU B 1 112 ? -3.492 25.022 9.329 1.00 66.43 0 B 1 +ATOM 2519 O OE1 . GLU B 1 112 ? -3.303 23.796 9.158 1.00 69.25 0 B 1 +ATOM 2520 O OE2 . GLU B 1 112 ? -2.683 25.888 8.932 1.00 70.22 0 B 1 +ATOM 2521 N N . ALA B 1 113 ? -4.875 22.902 13.721 1.00 39.61 0 B 1 +ATOM 2522 C CA . ALA B 1 113 ? -5.482 22.224 14.855 1.00 39.70 0 B 1 +ATOM 2523 C C . ALA B 1 113 ? -4.635 22.194 16.128 1.00 39.13 0 B 1 +ATOM 2524 O O . ALA B 1 113 ? -5.099 22.605 17.190 1.00 37.61 0 B 1 +ATOM 2525 C CB . ALA B 1 113 ? -5.876 20.808 14.455 1.00 35.64 0 B 1 +ATOM 2526 N N . GLY B 1 114 ? -3.386 21.751 16.011 1.00 34.25 0 B 1 +ATOM 2527 C CA . GLY B 1 114 ? -2.527 21.636 17.180 1.00 32.91 0 B 1 +ATOM 2528 C C . GLY B 1 114 ? -1.730 22.819 17.700 1.00 34.64 0 B 1 +ATOM 2529 O O . GLY B 1 114 ? -1.086 22.692 18.743 1.00 39.67 0 B 1 +ATOM 2530 N N . LYS B 1 115 ? -1.782 23.963 17.023 1.00 29.92 0 B 1 +ATOM 2531 C CA . LYS B 1 115 ? -1.015 25.137 17.447 1.00 27.73 0 B 1 +ATOM 2532 C C . LYS B 1 115 ? -1.252 25.599 18.888 1.00 30.01 0 B 1 +ATOM 2533 O O . LYS B 1 115 ? -0.306 25.962 19.589 1.00 29.24 0 B 1 +ATOM 2534 C CB . LYS B 1 115 ? -1.237 26.306 16.482 1.00 28.93 0 B 1 +ATOM 2535 C CG . LYS B 1 115 ? -0.333 27.505 16.738 1.00 25.87 0 B 1 +ATOM 2536 C CD . LYS B 1 115 ? -0.692 28.675 15.835 1.00 24.67 0 B 1 +ATOM 2537 C CE . LYS B 1 115 ? 0.090 29.931 16.202 1.00 27.13 0 B 1 +ATOM 2538 N NZ . LYS B 1 115 ? 1.560 29.765 16.014 1.00 34.77 0 B 1 +ATOM 2539 N N . ASP B 1 116 ? -2.505 25.568 19.335 1.00 33.95 0 B 1 +ATOM 2540 C CA . ASP B 1 116 ? -2.839 26.006 20.690 1.00 35.51 0 B 1 +ATOM 2541 C C . ASP B 1 116 ? -2.306 25.108 21.802 1.00 29.03 0 B 1 +ATOM 2542 O O . ASP B 1 116 ? -1.699 25.596 22.757 1.00 28.61 0 B 1 +ATOM 2543 C CB . ASP B 1 116 ? -4.348 26.207 20.830 1.00 44.25 0 B 1 +ATOM 2544 C CG . ASP B 1 116 ? -4.876 27.310 19.919 1.00 51.75 0 B 1 +ATOM 2545 O OD1 . ASP B 1 116 ? -4.157 28.310 19.689 1.00 58.31 0 B 1 +ATOM 2546 O OD2 . ASP B 1 116 ? -6.009 27.171 19.413 1.00 58.15 0 B 1 +ATOM 2547 N N . ASP B 1 117 ? -2.517 23.801 21.672 1.00 28.73 0 B 1 +ATOM 2548 C CA . ASP B 1 117 ? -2.039 22.850 22.672 1.00 28.70 0 B 1 +ATOM 2549 C C . ASP B 1 117 ? -0.516 22.871 22.767 1.00 21.76 0 B 1 +ATOM 2550 O O . ASP B 1 117 ? 0.047 22.817 23.864 1.00 20.81 0 B 1 +ATOM 2551 C CB . ASP B 1 117 ? -2.518 21.435 22.340 1.00 29.74 0 B 1 +ATOM 2552 C CG . ASP B 1 117 ? -4.015 21.254 22.543 1.00 35.26 0 B 1 +ATOM 2553 O OD1 . ASP B 1 117 ? -4.667 22.136 23.149 1.00 35.44 0 B 1 +ATOM 2554 O OD2 . ASP B 1 117 ? -4.538 20.205 22.115 1.00 41.24 0 B 1 +ATOM 2555 N N . TYR B 1 118 ? 0.137 22.965 21.609 1.00 23.96 0 B 1 +ATOM 2556 C CA . TYR B 1 118 ? 1.595 23.001 21.529 1.00 19.97 0 B 1 +ATOM 2557 C C . TYR B 1 118 ? 2.170 24.200 22.286 1.00 17.13 0 B 1 +ATOM 2558 O O . TYR B 1 118 ? 3.147 24.064 23.025 1.00 17.96 0 B 1 +ATOM 2559 C CB . TYR B 1 118 ? 2.042 23.040 20.060 1.00 18.94 0 B 1 +ATOM 2560 C CG . TYR B 1 118 ? 3.539 22.929 19.861 1.00 22.33 0 B 1 +ATOM 2561 C CD1 . TYR B 1 118 ? 4.360 24.052 19.956 1.00 18.69 0 B 1 +ATOM 2562 C CD2 . TYR B 1 118 ? 4.137 21.701 19.584 1.00 13.45 0 B 1 +ATOM 2563 C CE1 . TYR B 1 118 ? 5.732 23.955 19.784 1.00 20.36 0 B 1 +ATOM 2564 C CE2 . TYR B 1 118 ? 5.512 21.594 19.408 1.00 16.72 0 B 1 +ATOM 2565 C CZ . TYR B 1 118 ? 6.301 22.725 19.511 1.00 19.14 0 B 1 +ATOM 2566 O OH . TYR B 1 118 ? 7.658 22.634 19.341 1.00 11.54 0 B 1 +ATOM 2567 N N . VAL B 1 119 ? 1.577 25.374 22.085 1.00 23.85 0 B 1 +ATOM 2568 C CA . VAL B 1 119 ? 2.038 26.587 22.758 1.00 25.99 0 B 1 +ATOM 2569 C C . VAL B 1 119 ? 1.817 26.511 24.277 1.00 28.40 0 B 1 +ATOM 2570 O O . VAL B 1 119 ? 2.627 27.029 25.046 1.00 25.88 0 B 1 +ATOM 2571 C CB . VAL B 1 119 ? 1.365 27.853 22.165 1.00 28.98 0 B 1 +ATOM 2572 C CG1 . VAL B 1 119 ? 1.844 29.106 22.885 1.00 29.15 0 B 1 +ATOM 2573 C CG2 . VAL B 1 119 ? 1.691 27.963 20.684 1.00 17.09 0 B 1 +ATOM 2574 N N . LYS B 1 120 ? 0.740 25.844 24.700 1.00 30.15 0 B 1 +ATOM 2575 C CA . LYS B 1 120 ? 0.435 25.679 26.125 1.00 34.33 0 B 1 +ATOM 2576 C C . LYS B 1 120 ? 1.476 24.785 26.796 1.00 30.92 0 B 1 +ATOM 2577 O O . LYS B 1 120 ? 1.872 25.029 27.934 1.00 29.87 0 B 1 +ATOM 2578 C CB . LYS B 1 120 ? -0.946 25.048 26.318 1.00 39.46 0 B 1 +ATOM 2579 C CG . LYS B 1 120 ? -2.102 25.896 25.826 1.00 53.02 0 B 1 +ATOM 2580 C CD . LYS B 1 120 ? -3.379 25.074 25.754 1.00 60.62 0 B 1 +ATOM 2581 C CE . LYS B 1 120 ? -4.491 25.833 25.036 1.00 64.46 0 B 1 +ATOM 2582 N NZ . LYS B 1 120 ? -5.667 24.959 24.755 1.00 70.16 0 B 1 +ATOM 2583 N N . ALA B 1 121 ? 1.914 23.754 26.077 1.00 22.35 0 B 1 +ATOM 2584 C CA . ALA B 1 121 ? 2.905 22.807 26.586 1.00 24.36 0 B 1 +ATOM 2585 C C . ALA B 1 121 ? 4.346 23.304 26.472 1.00 20.41 0 B 1 +ATOM 2586 O O . ALA B 1 121 ? 5.249 22.747 27.094 1.00 24.85 0 B 1 +ATOM 2587 C CB . ALA B 1 121 ? 2.759 21.470 25.869 1.00 20.94 0 B 1 +ATOM 2588 N N . LEU B 1 122 ? 4.552 24.358 25.687 1.00 15.49 0 B 1 +ATOM 2589 C CA . LEU B 1 122 ? 5.882 24.921 25.479 1.00 19.00 0 B 1 +ATOM 2590 C C . LEU B 1 122 ? 6.729 25.192 26.726 1.00 18.30 0 B 1 +ATOM 2591 O O . LEU B 1 122 ? 7.901 24.812 26.762 1.00 23.78 0 B 1 +ATOM 2592 C CB . LEU B 1 122 ? 5.803 26.194 24.635 1.00 14.40 0 B 1 +ATOM 2593 C CG . LEU B 1 122 ? 6.473 26.159 23.264 1.00 17.81 0 B 1 +ATOM 2594 C CD1 . LEU B 1 122 ? 6.605 27.586 22.754 1.00 16.25 0 B 1 +ATOM 2595 C CD2 . LEU B 1 122 ? 7.844 25.500 23.355 1.00 13.02 0 B 1 +ATOM 2596 N N . PRO B 1 123 ? 6.167 25.863 27.752 1.00 18.24 0 B 1 +ATOM 2597 C CA . PRO B 1 123 ? 6.929 26.156 28.972 1.00 19.61 0 B 1 +ATOM 2598 C C . PRO B 1 123 ? 7.599 24.929 29.583 1.00 18.22 0 B 1 +ATOM 2599 O O . PRO B 1 123 ? 8.756 24.985 29.994 1.00 13.70 0 B 1 +ATOM 2600 C CB . PRO B 1 123 ? 5.867 26.739 29.902 1.00 21.71 0 B 1 +ATOM 2601 C CG . PRO B 1 123 ? 4.959 27.445 28.956 1.00 12.17 0 B 1 +ATOM 2602 C CD . PRO B 1 123 ? 4.808 26.436 27.845 1.00 17.58 0 B 1 +ATOM 2603 N N . GLY B 1 124 ? 6.875 23.815 29.603 1.00 20.98 0 B 1 +ATOM 2604 C CA . GLY B 1 124 ? 7.418 22.587 30.155 1.00 20.86 0 B 1 +ATOM 2605 C C . GLY B 1 124 ? 8.564 22.068 29.314 1.00 16.94 0 B 1 +ATOM 2606 O O . GLY B 1 124 ? 9.505 21.477 29.841 1.00 22.74 0 B 1 +ATOM 2607 N N . GLN B 1 125 ? 8.479 22.294 28.004 1.00 15.11 0 B 1 +ATOM 2608 C CA . GLN B 1 125 ? 9.508 21.868 27.057 1.00 15.19 0 B 1 +ATOM 2609 C C . GLN B 1 125 ? 10.764 22.730 27.133 1.00 13.14 0 B 1 +ATOM 2610 O O . GLN B 1 125 ? 11.866 22.246 26.898 1.00 19.56 0 B 1 +ATOM 2611 C CB . GLN B 1 125 ? 8.965 21.915 25.630 1.00 16.11 0 B 1 +ATOM 2612 C CG . GLN B 1 125 ? 7.808 20.974 25.369 1.00 20.92 0 B 1 +ATOM 2613 C CD . GLN B 1 125 ? 8.168 19.542 25.677 1.00 25.52 0 B 1 +ATOM 2614 N NE2 . GLN B 1 125 ? 7.359 18.890 26.494 1.00 26.48 0 B 1 +ATOM 2615 O OE1 . GLN B 1 125 ? 9.177 19.035 25.196 1.00 26.29 0 B 1 +ATOM 2616 N N . LEU B 1 126 ? 10.593 24.010 27.454 1.00 14.89 0 B 1 +ATOM 2617 C CA . LEU B 1 126 ? 11.720 24.936 27.544 1.00 15.96 0 B 1 +ATOM 2618 C C . LEU B 1 126 ? 12.449 24.947 28.888 1.00 17.08 0 B 1 +ATOM 2619 O O . LEU B 1 126 ? 13.640 25.263 28.939 1.00 20.75 0 B 1 +ATOM 2620 C CB . LEU B 1 126 ? 11.266 26.354 27.186 1.00 16.96 0 B 1 +ATOM 2621 C CG . LEU B 1 126 ? 10.754 26.529 25.755 1.00 17.57 0 B 1 +ATOM 2622 C CD1 . LEU B 1 126 ? 10.208 27.935 25.556 1.00 15.98 0 B 1 +ATOM 2623 C CD2 . LEU B 1 126 ? 11.876 26.229 24.770 1.00 20.24 0 B 1 +ATOM 2624 N N . LYS B 1 127 ? 11.745 24.601 29.968 1.00 21.06 0 B 1 +ATOM 2625 C CA . LYS B 1 127 ? 12.349 24.580 31.305 1.00 23.43 0 B 1 +ATOM 2626 C C . LYS B 1 127 ? 13.688 23.855 31.419 1.00 22.54 0 B 1 +ATOM 2627 O O . LYS B 1 127 ? 14.613 24.371 32.047 1.00 22.29 0 B 1 +ATOM 2628 C CB . LYS B 1 127 ? 11.369 24.041 32.351 1.00 28.89 0 B 1 +ATOM 2629 C CG . LYS B 1 127 ? 10.523 25.123 32.980 1.00 37.23 0 B 1 +ATOM 2630 C CD . LYS B 1 127 ? 9.385 24.558 33.803 1.00 42.49 0 B 1 +ATOM 2631 C CE . LYS B 1 127 ? 8.489 25.682 34.305 1.00 47.02 0 B 1 +ATOM 2632 N NZ . LYS B 1 127 ? 7.241 25.172 34.936 1.00 50.63 0 B 1 +ATOM 2633 N N . PRO B 1 128 ? 13.818 22.654 30.814 1.00 19.21 0 B 1 +ATOM 2634 C CA . PRO B 1 128 ? 15.087 21.923 30.896 1.00 17.04 0 B 1 +ATOM 2635 C C . PRO B 1 128 ? 16.317 22.741 30.488 1.00 16.86 0 B 1 +ATOM 2636 O O . PRO B 1 128 ? 17.377 22.628 31.112 1.00 17.37 0 B 1 +ATOM 2637 C CB . PRO B 1 128 ? 14.857 20.750 29.950 1.00 17.39 0 B 1 +ATOM 2638 C CG . PRO B 1 128 ? 13.409 20.457 30.156 1.00 19.10 0 B 1 +ATOM 2639 C CD . PRO B 1 128 ? 12.796 21.837 30.130 1.00 12.84 0 B 1 +ATOM 2640 N N . PHE B 1 129 ? 16.171 23.580 29.462 1.00 15.22 0 B 1 +ATOM 2641 C CA . PHE B 1 129 ? 17.288 24.398 28.983 1.00 17.42 0 B 1 +ATOM 2642 C C . PHE B 1 129 ? 17.600 25.577 29.910 1.00 17.17 0 B 1 +ATOM 2643 O O . PHE B 1 129 ? 18.758 25.980 30.047 1.00 14.35 0 B 1 +ATOM 2644 C CB . PHE B 1 129 ? 17.031 24.845 27.543 1.00 11.90 0 B 1 +ATOM 2645 C CG . PHE B 1 129 ? 16.763 23.697 26.602 1.00 16.61 0 B 1 +ATOM 2646 C CD1 . PHE B 1 129 ? 17.783 22.815 26.249 1.00 17.88 0 B 1 +ATOM 2647 C CD2 . PHE B 1 129 ? 15.482 23.466 26.109 1.00 17.70 0 B 1 +ATOM 2648 C CE1 . PHE B 1 129 ? 17.528 21.716 25.420 1.00 17.94 0 B 1 +ATOM 2649 C CE2 . PHE B 1 129 ? 15.218 22.371 25.280 1.00 19.09 0 B 1 +ATOM 2650 C CZ . PHE B 1 129 ? 16.242 21.497 24.938 1.00 8.60 0 B 1 +ATOM 2651 N N . GLU B 1 130 ? 16.561 26.112 30.552 1.00 17.70 0 B 1 +ATOM 2652 C CA . GLU B 1 130 ? 16.712 27.204 31.513 1.00 18.86 0 B 1 +ATOM 2653 C C . GLU B 1 130 ? 17.490 26.636 32.711 1.00 18.28 0 B 1 +ATOM 2654 O O . GLU B 1 130 ? 18.383 27.287 33.260 1.00 19.21 0 B 1 +ATOM 2655 C CB . GLU B 1 130 ? 15.330 27.693 31.965 1.00 18.24 0 B 1 +ATOM 2656 C CG . GLU B 1 130 ? 15.334 28.820 33.008 1.00 19.04 0 B 1 +ATOM 2657 C CD . GLU B 1 130 ? 15.671 30.204 32.442 1.00 20.57 0 B 1 +ATOM 2658 O OE1 . GLU B 1 130 ? 15.761 30.370 31.208 1.00 22.44 0 B 1 +ATOM 2659 O OE2 . GLU B 1 130 ? 15.837 31.147 33.245 1.00 15.29 0 B 1 +ATOM 2660 N N . THR B 1 131 ? 17.167 25.392 33.066 1.00 20.89 0 B 1 +ATOM 2661 C CA . THR B 1 131 ? 17.807 24.682 34.169 1.00 17.30 0 B 1 +ATOM 2662 C C . THR B 1 131 ? 19.283 24.438 33.876 1.00 17.68 0 B 1 +ATOM 2663 O O . THR B 1 131 ? 20.140 24.674 34.730 1.00 22.51 0 B 1 +ATOM 2664 C CB . THR B 1 131 ? 17.126 23.323 34.411 1.00 20.96 0 B 1 +ATOM 2665 C CG2 . THR B 1 131 ? 17.738 22.622 35.618 1.00 23.00 0 B 1 +ATOM 2666 O OG1 . THR B 1 131 ? 15.725 23.525 34.636 1.00 22.20 0 B 1 +ATOM 2667 N N . LEU B 1 132 ? 19.571 23.933 32.679 1.00 16.96 0 B 1 +ATOM 2668 C CA . LEU B 1 132 ? 20.947 23.664 32.268 1.00 20.31 0 B 1 +ATOM 2669 C C . LEU B 1 132 ? 21.768 24.944 32.373 1.00 20.33 0 B 1 +ATOM 2670 O O . LEU B 1 132 ? 22.879 24.943 32.904 1.00 20.23 0 B 1 +ATOM 2671 C CB . LEU B 1 132 ? 20.975 23.139 30.830 1.00 17.56 0 B 1 +ATOM 2672 C CG . LEU B 1 132 ? 20.498 21.699 30.626 1.00 20.00 0 B 1 +ATOM 2673 C CD1 . LEU B 1 132 ? 20.190 21.434 29.163 1.00 16.07 0 B 1 +ATOM 2674 C CD2 . LEU B 1 132 ? 21.558 20.739 31.138 1.00 18.95 0 B 1 +ATOM 2675 N N . LEU B 1 133 ? 21.183 26.040 31.902 1.00 23.10 0 B 1 +ATOM 2676 C CA . LEU B 1 133 ? 21.818 27.349 31.926 1.00 21.20 0 B 1 +ATOM 2677 C C . LEU B 1 133 ? 22.087 27.796 33.364 1.00 19.95 0 B 1 +ATOM 2678 O O . LEU B 1 133 ? 23.195 28.224 33.686 1.00 24.25 0 B 1 +ATOM 2679 C CB . LEU B 1 133 ? 20.918 28.357 31.203 1.00 17.55 0 B 1 +ATOM 2680 C CG . LEU B 1 133 ? 21.485 29.226 30.073 1.00 20.13 0 B 1 +ATOM 2681 C CD1 . LEU B 1 133 ? 22.629 28.548 29.351 1.00 19.19 0 B 1 +ATOM 2682 C CD2 . LEU B 1 133 ? 20.365 29.566 29.107 1.00 12.12 0 B 1 +ATOM 2683 N N . SER B 1 134 ? 21.095 27.641 34.239 1.00 21.03 0 B 1 +ATOM 2684 C CA . SER B 1 134 ? 21.242 28.038 35.640 1.00 22.63 0 B 1 +ATOM 2685 C C . SER B 1 134 ? 22.329 27.268 36.393 1.00 23.34 0 B 1 +ATOM 2686 O O . SER B 1 134 ? 22.887 27.773 37.368 1.00 23.80 0 B 1 +ATOM 2687 C CB . SER B 1 134 ? 19.904 27.928 36.387 1.00 17.88 0 B 1 +ATOM 2688 O OG . SER B 1 134 ? 19.504 26.580 36.554 1.00 25.31 0 B 1 +ATOM 2689 N N . GLN B 1 135 ? 22.641 26.059 35.935 1.00 24.21 0 B 1 +ATOM 2690 C CA . GLN B 1 135 ? 23.675 25.245 36.573 1.00 24.74 0 B 1 +ATOM 2691 C C . GLN B 1 135 ? 25.072 25.482 36.007 1.00 23.07 0 B 1 +ATOM 2692 O O . GLN B 1 135 ? 26.046 24.908 36.492 1.00 25.24 0 B 1 +ATOM 2693 C CB . GLN B 1 135 ? 23.319 23.768 36.458 1.00 22.15 0 B 1 +ATOM 2694 C CG . GLN B 1 135 ? 22.042 23.406 37.169 1.00 28.93 0 B 1 +ATOM 2695 C CD . GLN B 1 135 ? 21.561 22.029 36.797 1.00 33.29 0 B 1 +ATOM 2696 N NE2 . GLN B 1 135 ? 20.480 21.596 37.421 1.00 30.68 0 B 1 +ATOM 2697 O OE1 . GLN B 1 135 ? 22.153 21.359 35.951 1.00 36.02 0 B 1 +ATOM 2698 N N . ASN B 1 136 ? 25.172 26.301 34.967 1.00 24.65 0 B 1 +ATOM 2699 C CA . ASN B 1 136 ? 26.457 26.599 34.355 1.00 23.45 0 B 1 +ATOM 2700 C C . ASN B 1 136 ? 26.792 28.081 34.523 1.00 24.28 0 B 1 +ATOM 2701 O O . ASN B 1 136 ? 26.325 28.919 33.754 1.00 22.10 0 B 1 +ATOM 2702 C CB . ASN B 1 136 ? 26.450 26.217 32.867 1.00 22.01 0 B 1 +ATOM 2703 C CG . ASN B 1 136 ? 27.793 26.461 32.195 1.00 19.62 0 B 1 +ATOM 2704 N ND2 . ASN B 1 136 ? 27.767 26.728 30.901 1.00 21.96 0 B 1 +ATOM 2705 O OD1 . ASN B 1 136 ? 28.839 26.364 32.835 1.00 27.05 0 B 1 +ATOM 2706 N N . GLN B 1 137 ? 27.587 28.395 35.550 1.00 32.94 0 B 1 +ATOM 2707 C CA . GLN B 1 137 ? 27.997 29.774 35.843 1.00 35.56 0 B 1 +ATOM 2708 C C . GLN B 1 137 ? 26.836 30.769 35.834 1.00 34.51 0 B 1 +ATOM 2709 O O . GLN B 1 137 ? 26.969 31.886 35.325 1.00 36.90 0 B 1 +ATOM 2710 C CB . GLN B 1 137 ? 29.068 30.230 34.854 1.00 41.22 0 B 1 +ATOM 2711 C CG . GLN B 1 137 ? 30.373 29.467 34.937 1.00 50.17 0 B 1 +ATOM 2712 C CD . GLN B 1 137 ? 31.245 29.696 33.716 1.00 58.75 0 B 1 +ATOM 2713 N NE2 . GLN B 1 137 ? 31.247 28.736 32.796 1.00 64.72 0 B 1 +ATOM 2714 O OE1 . GLN B 1 137 ? 31.892 30.742 33.593 1.00 63.00 0 B 1 +ATOM 2715 N N . GLY B 1 138 ? 25.692 30.340 36.365 1.00 30.72 0 B 1 +ATOM 2716 C CA . GLY B 1 138 ? 24.521 31.201 36.424 1.00 28.77 0 B 1 +ATOM 2717 C C . GLY B 1 138 ? 23.967 31.671 35.089 1.00 26.54 0 B 1 +ATOM 2718 O O . GLY B 1 138 ? 23.312 32.710 35.024 1.00 27.81 0 B 1 +ATOM 2719 N N . GLY B 1 139 ? 24.219 30.904 34.031 1.00 27.34 0 B 1 +ATOM 2720 C CA . GLY B 1 139 ? 23.731 31.260 32.708 1.00 31.49 0 B 1 +ATOM 2721 C C . GLY B 1 139 ? 24.418 32.467 32.093 1.00 31.30 0 B 1 +ATOM 2722 O O . GLY B 1 139 ? 23.871 33.095 31.189 1.00 34.21 0 B 1 +ATOM 2723 N N . LYS B 1 140 ? 25.626 32.768 32.560 1.00 30.40 0 B 1 +ATOM 2724 C CA . LYS B 1 140 ? 26.386 33.916 32.068 1.00 26.34 0 B 1 +ATOM 2725 C C . LYS B 1 140 ? 27.160 33.641 30.781 1.00 22.39 0 B 1 +ATOM 2726 O O . LYS B 1 140 ? 27.484 34.575 30.048 1.00 27.20 0 B 1 +ATOM 2727 C CB . LYS B 1 140 ? 27.346 34.427 33.154 1.00 34.80 0 B 1 +ATOM 2728 C CG . LYS B 1 140 ? 26.660 34.918 34.427 1.00 45.10 0 B 1 +ATOM 2729 C CD . LYS B 1 140 ? 25.961 36.260 34.233 1.00 55.71 0 B 1 +ATOM 2730 C CE . LYS B 1 140 ? 26.952 37.417 34.311 1.00 61.59 0 B 1 +ATOM 2731 N NZ . LYS B 1 140 ? 26.304 38.745 34.084 1.00 61.43 0 B 1 +ATOM 2732 N N . THR B 1 141 ? 27.446 32.369 30.503 1.00 21.81 0 B 1 +ATOM 2733 C CA . THR B 1 141 ? 28.197 31.993 29.304 1.00 18.45 0 B 1 +ATOM 2734 C C . THR B 1 141 ? 27.407 31.185 28.262 1.00 23.00 0 B 1 +ATOM 2735 O O . THR B 1 141 ? 26.446 31.689 27.684 1.00 22.68 0 B 1 +ATOM 2736 C CB . THR B 1 141 ? 29.500 31.247 29.665 1.00 16.61 0 B 1 +ATOM 2737 C CG2 . THR B 1 141 ? 30.499 32.190 30.318 1.00 11.71 0 B 1 +ATOM 2738 O OG1 . THR B 1 141 ? 29.203 30.165 30.556 1.00 20.20 0 B 1 +ATOM 2739 N N . PHE B 1 142 ? 27.812 29.937 28.030 1.00 19.96 0 B 1 +ATOM 2740 C CA . PHE B 1 142 ? 27.169 29.076 27.046 1.00 16.47 0 B 1 +ATOM 2741 C C . PHE B 1 142 ? 26.368 27.947 27.688 1.00 13.47 0 B 1 +ATOM 2742 O O . PHE B 1 142 ? 26.341 27.826 28.906 1.00 15.59 0 B 1 +ATOM 2743 C CB . PHE B 1 142 ? 28.228 28.548 26.083 1.00 12.29 0 B 1 +ATOM 2744 C CG . PHE B 1 142 ? 29.040 29.643 25.436 1.00 14.33 0 B 1 +ATOM 2745 C CD1 . PHE B 1 142 ? 28.533 30.359 24.353 1.00 14.29 0 B 1 +ATOM 2746 C CD2 . PHE B 1 142 ? 30.294 29.981 25.931 1.00 14.55 0 B 1 +ATOM 2747 C CE1 . PHE B 1 142 ? 29.261 31.395 23.778 1.00 15.53 0 B 1 +ATOM 2748 C CE2 . PHE B 1 142 ? 31.032 31.016 25.363 1.00 16.31 0 B 1 +ATOM 2749 C CZ . PHE B 1 142 ? 30.516 31.723 24.285 1.00 16.20 0 B 1 +ATOM 2750 N N . ILE B 1 143 ? 25.698 27.134 26.877 1.00 14.04 0 B 1 +ATOM 2751 C CA . ILE B 1 143 ? 24.872 26.056 27.414 1.00 13.69 0 B 1 +ATOM 2752 C C . ILE B 1 143 ? 25.676 24.999 28.182 1.00 14.12 0 B 1 +ATOM 2753 O O . ILE B 1 143 ? 25.188 24.439 29.164 1.00 14.14 0 B 1 +ATOM 2754 C CB . ILE B 1 143 ? 23.978 25.410 26.314 1.00 5.42 0 B 1 +ATOM 2755 C CG1 . ILE B 1 143 ? 22.872 24.569 26.957 1.00 6.97 0 B 1 +ATOM 2756 C CG2 . ILE B 1 143 ? 24.813 24.566 25.352 1.00 2.54 0 B 1 +ATOM 2757 C CD1 . ILE B 1 143 ? 21.853 25.373 27.737 1.00 10.57 0 B 1 +ATOM 2758 N N . VAL B 1 144 ? 26.912 24.763 27.751 1.00 13.71 0 B 1 +ATOM 2759 C CA . VAL B 1 144 ? 27.804 23.798 28.396 1.00 13.16 0 B 1 +ATOM 2760 C C . VAL B 1 144 ? 29.220 24.366 28.418 1.00 15.36 0 B 1 +ATOM 2761 O O . VAL B 1 144 ? 29.767 24.714 27.373 1.00 17.05 0 B 1 +ATOM 2762 C CB . VAL B 1 144 ? 27.842 22.443 27.643 1.00 12.66 0 B 1 +ATOM 2763 C CG1 . VAL B 1 144 ? 28.931 21.547 28.228 1.00 7.81 0 B 1 +ATOM 2764 C CG2 . VAL B 1 144 ? 26.496 21.745 27.729 1.00 10.81 0 B 1 +ATOM 2765 N N . GLY B 1 145 ? 29.805 24.463 29.609 1.00 11.07 0 B 1 +ATOM 2766 C CA . GLY B 1 145 ? 31.159 24.983 29.733 1.00 14.99 0 B 1 +ATOM 2767 C C . GLY B 1 145 ? 31.284 26.482 29.523 1.00 14.24 0 B 1 +ATOM 2768 O O . GLY B 1 145 ? 30.295 27.212 29.599 1.00 13.15 0 B 1 +ATOM 2769 N N . ASP B 1 146 ? 32.502 26.938 29.240 1.00 21.64 0 B 1 +ATOM 2770 C CA . ASP B 1 146 ? 32.760 28.361 29.029 1.00 29.49 0 B 1 +ATOM 2771 C C . ASP B 1 146 ? 33.186 28.702 27.600 1.00 27.00 0 B 1 +ATOM 2772 O O . ASP B 1 146 ? 33.714 29.780 27.342 1.00 28.71 0 B 1 +ATOM 2773 C CB . ASP B 1 146 ? 33.797 28.872 30.041 1.00 34.77 0 B 1 +ATOM 2774 C CG . ASP B 1 146 ? 35.150 28.181 29.909 1.00 41.89 0 B 1 +ATOM 2775 O OD1 . ASP B 1 146 ? 35.261 27.160 29.193 1.00 47.12 0 B 1 +ATOM 2776 O OD2 . ASP B 1 146 ? 36.118 28.670 30.528 1.00 49.55 0 B 1 +ATOM 2777 N N . GLN B 1 147 ? 32.957 27.769 26.682 1.00 25.29 0 B 1 +ATOM 2778 C CA . GLN B 1 147 ? 33.286 27.950 25.271 1.00 27.54 0 B 1 +ATOM 2779 C C . GLN B 1 147 ? 32.075 27.471 24.470 1.00 25.52 0 B 1 +ATOM 2780 O O . GLN B 1 147 ? 31.377 26.544 24.886 1.00 19.49 0 B 1 +ATOM 2781 C CB . GLN B 1 147 ? 34.542 27.154 24.896 1.00 32.31 0 B 1 +ATOM 2782 C CG . GLN B 1 147 ? 34.436 25.662 25.188 1.00 48.14 0 B 1 +ATOM 2783 C CD . GLN B 1 147 ? 35.614 24.854 24.669 1.00 51.13 0 B 1 +ATOM 2784 N NE2 . GLN B 1 147 ? 35.543 24.436 23.402 1.00 48.56 0 B 1 +ATOM 2785 O OE1 . GLN B 1 147 ? 36.563 24.579 25.410 1.00 51.25 0 B 1 +ATOM 2786 N N . ILE B 1 148 ? 31.802 28.130 23.346 1.00 19.95 0 B 1 +ATOM 2787 C CA . ILE B 1 148 ? 30.659 27.783 22.506 1.00 18.81 0 B 1 +ATOM 2788 C C . ILE B 1 148 ? 30.803 26.389 21.873 1.00 19.26 0 B 1 +ATOM 2789 O O . ILE B 1 148 ? 31.912 25.944 21.571 1.00 18.93 0 B 1 +ATOM 2790 C CB . ILE B 1 148 ? 30.427 28.874 21.420 1.00 16.83 0 B 1 +ATOM 2791 C CG1 . ILE B 1 148 ? 28.986 28.822 20.916 1.00 18.74 0 B 1 +ATOM 2792 C CG2 . ILE B 1 148 ? 31.411 28.706 20.270 1.00 15.01 0 B 1 +ATOM 2793 C CD1 . ILE B 1 148 ? 28.544 30.080 20.207 1.00 14.19 0 B 1 +ATOM 2794 N N . SER B 1 149 ? 29.682 25.690 21.717 1.00 17.66 0 B 1 +ATOM 2795 C CA . SER B 1 149 ? 29.687 24.356 21.129 1.00 18.92 0 B 1 +ATOM 2796 C C . SER B 1 149 ? 28.632 24.307 20.034 1.00 14.12 0 B 1 +ATOM 2797 O O . SER B 1 149 ? 27.846 25.246 19.893 1.00 15.28 0 B 1 +ATOM 2798 C CB . SER B 1 149 ? 29.375 23.300 22.194 1.00 13.52 0 B 1 +ATOM 2799 O OG . SER B 1 149 ? 28.020 23.373 22.609 1.00 18.98 0 B 1 +ATOM 2800 N N . PHE B 1 150 ? 28.598 23.211 19.274 1.00 10.51 0 B 1 +ATOM 2801 C CA . PHE B 1 150 ? 27.614 23.076 18.201 1.00 14.62 0 B 1 +ATOM 2802 C C . PHE B 1 150 ? 26.188 23.041 18.748 1.00 13.35 0 B 1 +ATOM 2803 O O . PHE B 1 150 ? 25.241 23.424 18.059 1.00 17.57 0 B 1 +ATOM 2804 C CB . PHE B 1 150 ? 27.908 21.848 17.315 1.00 13.17 0 B 1 +ATOM 2805 C CG . PHE B 1 150 ? 27.701 20.518 18.001 1.00 14.56 0 B 1 +ATOM 2806 C CD1 . PHE B 1 150 ? 26.448 19.907 18.007 1.00 12.80 0 B 1 +ATOM 2807 C CD2 . PHE B 1 150 ? 28.759 19.875 18.632 1.00 12.22 0 B 1 +ATOM 2808 C CE1 . PHE B 1 150 ? 26.254 18.678 18.633 1.00 12.82 0 B 1 +ATOM 2809 C CE2 . PHE B 1 150 ? 28.576 18.644 19.263 1.00 12.77 0 B 1 +ATOM 2810 C CZ . PHE B 1 150 ? 27.321 18.044 19.263 1.00 12.23 0 B 1 +ATOM 2811 N N . ALA B 1 151 ? 26.044 22.603 19.998 1.00 12.32 0 B 1 +ATOM 2812 C CA . ALA B 1 151 ? 24.736 22.533 20.646 1.00 5.43 0 B 1 +ATOM 2813 C C . ALA B 1 151 ? 24.168 23.939 20.838 1.00 7.58 0 B 1 +ATOM 2814 O O . ALA B 1 151 ? 22.953 24.136 20.792 1.00 14.56 0 B 1 +ATOM 2815 C CB . ALA B 1 151 ? 24.845 21.807 21.992 1.00 7.30 0 B 1 +ATOM 2816 N N . ASP B 1 152 ? 25.053 24.911 21.047 1.00 9.19 0 B 1 +ATOM 2817 C CA . ASP B 1 152 ? 24.640 26.297 21.227 1.00 13.38 0 B 1 +ATOM 2818 C C . ASP B 1 152 ? 23.923 26.818 19.991 1.00 11.24 0 B 1 +ATOM 2819 O O . ASP B 1 152 ? 22.832 27.390 20.096 1.00 20.67 0 B 1 +ATOM 2820 C CB . ASP B 1 152 ? 25.851 27.184 21.527 1.00 13.77 0 B 1 +ATOM 2821 C CG . ASP B 1 152 ? 26.304 27.086 22.967 1.00 18.46 0 B 1 +ATOM 2822 O OD1 . ASP B 1 152 ? 25.525 27.460 23.862 1.00 17.57 0 B 1 +ATOM 2823 O OD2 . ASP B 1 152 ? 27.447 26.661 23.205 1.00 16.84 0 B 1 +ATOM 2824 N N . TYR B 1 153 ? 24.520 26.588 18.819 1.00 10.18 0 B 1 +ATOM 2825 C CA . TYR B 1 153 ? 23.932 27.041 17.555 1.00 14.20 0 B 1 +ATOM 2826 C C . TYR B 1 153 ? 22.590 26.376 17.306 1.00 14.21 0 B 1 +ATOM 2827 O O . TYR B 1 153 ? 21.647 27.022 16.873 1.00 19.16 0 B 1 +ATOM 2828 C CB . TYR B 1 153 ? 24.880 26.766 16.377 1.00 11.06 0 B 1 +ATOM 2829 C CG . TYR B 1 153 ? 26.180 27.517 16.484 1.00 15.33 0 B 1 +ATOM 2830 C CD1 . TYR B 1 153 ? 26.234 28.896 16.252 1.00 12.64 0 B 1 +ATOM 2831 C CD2 . TYR B 1 153 ? 27.348 26.864 16.867 1.00 11.01 0 B 1 +ATOM 2832 C CE1 . TYR B 1 153 ? 27.424 29.603 16.405 1.00 13.54 0 B 1 +ATOM 2833 C CE2 . TYR B 1 153 ? 28.538 27.556 17.024 1.00 15.55 0 B 1 +ATOM 2834 C CZ . TYR B 1 153 ? 28.570 28.925 16.793 1.00 15.26 0 B 1 +ATOM 2835 O OH . TYR B 1 153 ? 29.750 29.609 16.961 1.00 26.37 0 B 1 +ATOM 2836 N N . ASN B 1 154 ? 22.495 25.088 17.612 1.00 11.02 0 B 1 +ATOM 2837 C CA . ASN B 1 154 ? 21.266 24.342 17.407 1.00 12.36 0 B 1 +ATOM 2838 C C . ASN B 1 154 ? 20.177 24.800 18.383 1.00 11.59 0 B 1 +ATOM 2839 O O . ASN B 1 154 ? 19.012 24.933 18.005 1.00 16.37 0 B 1 +ATOM 2840 C CB . ASN B 1 154 ? 21.522 22.838 17.535 1.00 12.52 0 B 1 +ATOM 2841 C CG . ASN B 1 154 ? 20.439 22.013 16.872 1.00 14.34 0 B 1 +ATOM 2842 N ND2 . ASN B 1 154 ? 20.524 20.701 17.022 1.00 11.42 0 B 1 +ATOM 2843 O OD1 . ASN B 1 154 ? 19.547 22.556 16.218 1.00 21.88 0 B 1 +ATOM 2844 N N . LEU B 1 155 ? 20.563 25.052 19.632 1.00 13.04 0 B 1 +ATOM 2845 C CA . LEU B 1 155 ? 19.601 25.502 20.636 1.00 12.57 0 B 1 +ATOM 2846 C C . LEU B 1 155 ? 19.122 26.904 20.259 1.00 14.39 0 B 1 +ATOM 2847 O O . LEU B 1 155 ? 17.923 27.188 20.308 1.00 16.57 0 B 1 +ATOM 2848 C CB . LEU B 1 155 ? 20.234 25.507 22.034 1.00 9.91 0 B 1 +ATOM 2849 C CG . LEU B 1 155 ? 19.373 26.105 23.158 1.00 9.64 0 B 1 +ATOM 2850 C CD1 . LEU B 1 155 ? 18.026 25.406 23.245 1.00 5.79 0 B 1 +ATOM 2851 C CD2 . LEU B 1 155 ? 20.113 26.008 24.481 1.00 13.09 0 B 1 +ATOM 2852 N N . LEU B 1 156 ? 20.059 27.758 19.846 1.00 13.04 0 B 1 +ATOM 2853 C CA . LEU B 1 156 ? 19.735 29.127 19.442 1.00 15.72 0 B 1 +ATOM 2854 C C . LEU B 1 156 ? 18.696 29.113 18.328 1.00 13.78 0 B 1 +ATOM 2855 O O . LEU B 1 156 ? 17.695 29.829 18.398 1.00 19.57 0 B 1 +ATOM 2856 C CB . LEU B 1 156 ? 20.990 29.861 18.962 1.00 14.52 0 B 1 +ATOM 2857 C CG . LEU B 1 156 ? 20.768 31.321 18.555 1.00 12.15 0 B 1 +ATOM 2858 C CD1 . LEU B 1 156 ? 20.232 32.127 19.737 1.00 10.71 0 B 1 +ATOM 2859 C CD2 . LEU B 1 156 ? 22.068 31.920 18.056 1.00 11.55 0 B 1 +ATOM 2860 N N . ASP B 1 157 ? 18.929 28.286 17.308 1.00 13.43 0 B 1 +ATOM 2861 C CA . ASP B 1 157 ? 17.987 28.182 16.200 1.00 13.19 0 B 1 +ATOM 2862 C C . ASP B 1 157 ? 16.618 27.749 16.712 1.00 15.76 0 B 1 +ATOM 2863 O O . ASP B 1 157 ? 15.595 28.339 16.351 1.00 14.69 0 B 1 +ATOM 2864 C CB . ASP B 1 157 ? 18.482 27.186 15.150 1.00 13.71 0 B 1 +ATOM 2865 C CG . ASP B 1 157 ? 17.480 26.978 14.029 1.00 16.58 0 B 1 +ATOM 2866 O OD1 . ASP B 1 157 ? 17.115 27.969 13.360 1.00 20.52 0 B 1 +ATOM 2867 O OD2 . ASP B 1 157 ? 17.064 25.823 13.813 1.00 16.71 0 B 1 +ATOM 2868 N N . LEU B 1 158 ? 16.605 26.723 17.562 1.00 13.29 0 B 1 +ATOM 2869 C CA . LEU B 1 158 ? 15.353 26.222 18.124 1.00 10.71 0 B 1 +ATOM 2870 C C . LEU B 1 158 ? 14.596 27.345 18.849 1.00 14.58 0 B 1 +ATOM 2871 O O . LEU B 1 158 ? 13.394 27.518 18.658 1.00 12.64 0 B 1 +ATOM 2872 C CB . LEU B 1 158 ? 15.622 25.057 19.084 1.00 11.71 0 B 1 +ATOM 2873 C CG . LEU B 1 158 ? 14.379 24.318 19.605 1.00 13.22 0 B 1 +ATOM 2874 C CD1 . LEU B 1 158 ? 13.689 23.577 18.466 1.00 16.54 0 B 1 +ATOM 2875 C CD2 . LEU B 1 158 ? 14.768 23.344 20.698 1.00 15.64 0 B 1 +ATOM 2876 N N . LEU B 1 159 ? 15.316 28.139 19.635 1.00 11.92 0 B 1 +ATOM 2877 C CA . LEU B 1 159 ? 14.698 29.241 20.375 1.00 12.01 0 B 1 +ATOM 2878 C C . LEU B 1 159 ? 14.142 30.323 19.446 1.00 11.20 0 B 1 +ATOM 2879 O O . LEU B 1 159 ? 13.007 30.769 19.615 1.00 18.11 0 B 1 +ATOM 2880 C CB . LEU B 1 159 ? 15.702 29.839 21.364 1.00 9.78 0 B 1 +ATOM 2881 C CG . LEU B 1 159 ? 16.201 28.856 22.431 1.00 10.85 0 B 1 +ATOM 2882 C CD1 . LEU B 1 159 ? 17.284 29.483 23.291 1.00 3.71 0 B 1 +ATOM 2883 C CD2 . LEU B 1 159 ? 15.033 28.394 23.284 1.00 8.70 0 B 1 +ATOM 2884 N N . LEU B 1 160 ? 14.929 30.707 18.443 1.00 12.51 0 B 1 +ATOM 2885 C CA . LEU B 1 160 ? 14.516 31.723 17.477 1.00 14.29 0 B 1 +ATOM 2886 C C . LEU B 1 160 ? 13.251 31.351 16.709 1.00 16.44 0 B 1 +ATOM 2887 O O . LEU B 1 160 ? 12.353 32.186 16.562 1.00 17.78 0 B 1 +ATOM 2888 C CB . LEU B 1 160 ? 15.648 32.025 16.493 1.00 8.44 0 B 1 +ATOM 2889 C CG . LEU B 1 160 ? 16.904 32.675 17.080 1.00 9.43 0 B 1 +ATOM 2890 C CD1 . LEU B 1 160 ? 17.960 32.798 16.002 1.00 11.30 0 B 1 +ATOM 2891 C CD2 . LEU B 1 160 ? 16.577 34.042 17.657 1.00 12.74 0 B 1 +ATOM 2892 N N . ILE B 1 161 ? 13.153 30.108 16.236 1.00 17.98 0 B 1 +ATOM 2893 C CA . ILE B 1 161 ? 11.962 29.704 15.484 1.00 16.60 0 B 1 +ATOM 2894 C C . ILE B 1 161 ? 10.726 29.613 16.370 1.00 18.65 0 B 1 +ATOM 2895 O O . ILE B 1 161 ? 9.599 29.691 15.876 1.00 18.17 0 B 1 +ATOM 2896 C CB . ILE B 1 161 ? 12.159 28.382 14.692 1.00 17.00 0 B 1 +ATOM 2897 C CG1 . ILE B 1 161 ? 12.388 27.200 15.636 1.00 19.08 0 B 1 +ATOM 2898 C CG2 . ILE B 1 161 ? 13.312 28.530 13.712 1.00 13.07 0 B 1 +ATOM 2899 C CD1 . ILE B 1 161 ? 12.634 25.887 14.913 1.00 12.31 0 B 1 +ATOM 2900 N N . HIS B 1 162 ? 10.935 29.438 17.676 1.00 19.39 0 B 1 +ATOM 2901 C CA . HIS B 1 162 ? 9.816 29.376 18.612 1.00 21.06 0 B 1 +ATOM 2902 C C . HIS B 1 162 ? 9.335 30.778 18.957 1.00 17.69 0 B 1 +ATOM 2903 O O . HIS B 1 162 ? 8.171 30.970 19.300 1.00 13.11 0 B 1 +ATOM 2904 C CB . HIS B 1 162 ? 10.176 28.583 19.871 1.00 17.39 0 B 1 +ATOM 2905 C CG . HIS B 1 162 ? 10.007 27.104 19.709 1.00 19.64 0 B 1 +ATOM 2906 C CD2 . HIS B 1 162 ? 8.932 26.305 19.886 1.00 16.21 0 B 1 +ATOM 2907 N ND1 . HIS B 1 162 ? 11.021 26.287 19.255 1.00 16.20 0 B 1 +ATOM 2908 C CE1 . HIS B 1 162 ? 10.573 25.049 19.153 1.00 15.25 0 B 1 +ATOM 2909 N NE2 . HIS B 1 162 ? 9.309 25.031 19.529 1.00 10.85 0 B 1 +ATOM 2910 N N . GLU B 1 163 ? 10.245 31.749 18.880 1.00 15.81 0 B 1 +ATOM 2911 C CA . GLU B 1 163 ? 9.905 33.148 19.121 1.00 25.52 0 B 1 +ATOM 2912 C C . GLU B 1 163 ? 8.949 33.560 18.006 1.00 21.29 0 B 1 +ATOM 2913 O O . GLU B 1 163 ? 8.013 34.322 18.223 1.00 20.65 0 B 1 +ATOM 2914 C CB . GLU B 1 163 ? 11.157 34.021 19.066 1.00 27.23 0 B 1 +ATOM 2915 C CG . GLU B 1 163 ? 11.764 34.343 20.422 1.00 34.34 0 B 1 +ATOM 2916 C CD . GLU B 1 163 ? 10.884 35.262 21.257 1.00 37.64 0 B 1 +ATOM 2917 O OE1 . GLU B 1 163 ? 10.274 36.192 20.684 1.00 39.21 0 B 1 +ATOM 2918 O OE2 . GLU B 1 163 ? 10.814 35.064 22.491 1.00 36.34 0 B 1 +ATOM 2919 N N . VAL B 1 164 ? 9.188 33.024 16.812 1.00 21.83 0 B 1 +ATOM 2920 C CA . VAL B 1 164 ? 8.352 33.307 15.651 1.00 18.91 0 B 1 +ATOM 2921 C C . VAL B 1 164 ? 7.006 32.593 15.788 1.00 21.88 0 B 1 +ATOM 2922 O O . VAL B 1 164 ? 5.963 33.160 15.465 1.00 25.75 0 B 1 +ATOM 2923 C CB . VAL B 1 164 ? 9.043 32.854 14.337 1.00 19.56 0 B 1 +ATOM 2924 C CG1 . VAL B 1 164 ? 8.125 33.090 13.140 1.00 19.33 0 B 1 +ATOM 2925 C CG2 . VAL B 1 164 ? 10.359 33.598 14.150 1.00 17.02 0 B 1 +ATOM 2926 N N . LEU B 1 165 ? 7.035 31.355 16.276 1.00 19.99 0 B 1 +ATOM 2927 C CA . LEU B 1 165 ? 5.817 30.565 16.453 1.00 19.17 0 B 1 +ATOM 2928 C C . LEU B 1 165 ? 4.922 31.116 17.560 1.00 19.58 0 B 1 +ATOM 2929 O O . LEU B 1 165 ? 3.726 31.327 17.360 1.00 17.01 0 B 1 +ATOM 2930 C CB . LEU B 1 165 ? 6.174 29.111 16.768 1.00 20.52 0 B 1 +ATOM 2931 C CG . LEU B 1 165 ? 5.005 28.153 17.012 1.00 22.32 0 B 1 +ATOM 2932 C CD1 . LEU B 1 165 ? 4.270 27.880 15.707 1.00 16.62 0 B 1 +ATOM 2933 C CD2 . LEU B 1 165 ? 5.521 26.859 17.605 1.00 17.85 0 B 1 +ATOM 2934 N N . ALA B 1 166 ? 5.516 31.325 18.731 1.00 20.59 0 B 1 +ATOM 2935 C CA . ALA B 1 166 ? 4.808 31.837 19.896 1.00 13.85 0 B 1 +ATOM 2936 C C . ALA B 1 166 ? 5.573 33.037 20.436 1.00 18.25 0 B 1 +ATOM 2937 O O . ALA B 1 166 ? 6.410 32.898 21.328 1.00 23.89 0 B 1 +ATOM 2938 C CB . ALA B 1 166 ? 4.706 30.753 20.961 1.00 16.69 0 B 1 +ATOM 2939 N N . PRO B 1 167 ? 5.316 34.232 19.875 1.00 22.86 0 B 1 +ATOM 2940 C CA . PRO B 1 167 ? 5.978 35.472 20.294 1.00 26.14 0 B 1 +ATOM 2941 C C . PRO B 1 167 ? 5.890 35.695 21.801 1.00 26.70 0 B 1 +ATOM 2942 O O . PRO B 1 167 ? 4.812 35.612 22.392 1.00 29.22 0 B 1 +ATOM 2943 C CB . PRO B 1 167 ? 5.208 36.542 19.521 1.00 21.52 0 B 1 +ATOM 2944 C CG . PRO B 1 167 ? 4.843 35.834 18.259 1.00 16.71 0 B 1 +ATOM 2945 C CD . PRO B 1 167 ? 4.365 34.497 18.778 1.00 18.57 0 B 1 +ATOM 2946 N N . GLY B 1 168 ? 7.040 35.938 22.419 1.00 25.24 0 B 1 +ATOM 2947 C CA . GLY B 1 168 ? 7.082 36.167 23.850 1.00 21.07 0 B 1 +ATOM 2948 C C . GLY B 1 168 ? 7.144 34.914 24.707 1.00 21.79 0 B 1 +ATOM 2949 O O . GLY B 1 168 ? 7.100 35.012 25.931 1.00 19.89 0 B 1 +ATOM 2950 N N . CYS B 1 169 ? 7.250 33.741 24.083 1.00 23.97 0 B 1 +ATOM 2951 C CA . CYS B 1 169 ? 7.323 32.484 24.830 1.00 24.34 0 B 1 +ATOM 2952 C C . CYS B 1 169 ? 8.541 32.426 25.758 1.00 22.77 0 B 1 +ATOM 2953 O O . CYS B 1 169 ? 8.551 31.667 26.724 1.00 31.69 0 B 1 +ATOM 2954 C CB . CYS B 1 169 ? 7.335 31.282 23.877 1.00 16.41 0 B 1 +ATOM 2955 S SG . CYS B 1 169 ? 8.792 31.171 22.808 1.00 17.08 0 B 1 +ATOM 2956 N N . LEU B 1 170 ? 9.561 33.229 25.461 1.00 24.39 0 B 1 +ATOM 2957 C CA . LEU B 1 170 ? 10.781 33.282 26.271 1.00 20.35 0 B 1 +ATOM 2958 C C . LEU B 1 170 ? 10.742 34.301 27.416 1.00 19.19 0 B 1 +ATOM 2959 O O . LEU B 1 170 ? 11.709 34.420 28.173 1.00 19.72 0 B 1 +ATOM 2960 C CB . LEU B 1 170 ? 11.992 33.575 25.384 1.00 17.15 0 B 1 +ATOM 2961 C CG . LEU B 1 170 ? 12.803 32.394 24.848 1.00 16.80 0 B 1 +ATOM 2962 C CD1 . LEU B 1 170 ? 11.902 31.383 24.160 1.00 10.63 0 B 1 +ATOM 2963 C CD2 . LEU B 1 170 ? 13.872 32.913 23.900 1.00 5.27 0 B 1 +ATOM 2964 N N . ASP B 1 171 ? 9.640 35.040 27.532 1.00 21.29 0 B 1 +ATOM 2965 C CA . ASP B 1 171 ? 9.488 36.048 28.585 1.00 24.45 0 B 1 +ATOM 2966 C C . ASP B 1 171 ? 9.623 35.456 29.982 1.00 23.44 0 B 1 +ATOM 2967 O O . ASP B 1 171 ? 10.257 36.049 30.855 1.00 20.90 0 B 1 +ATOM 2968 C CB . ASP B 1 171 ? 8.133 36.755 28.467 1.00 27.71 0 B 1 +ATOM 2969 C CG . ASP B 1 171 ? 8.071 37.724 27.298 1.00 28.64 0 B 1 +ATOM 2970 O OD1 . ASP B 1 171 ? 9.138 38.086 26.753 1.00 28.32 0 B 1 +ATOM 2971 O OD2 . ASP B 1 171 ? 6.946 38.132 26.930 1.00 31.45 0 B 1 +ATOM 2972 N N . ALA B 1 172 ? 9.037 34.277 30.175 1.00 24.48 0 B 1 +ATOM 2973 C CA . ALA B 1 172 ? 9.076 33.582 31.458 1.00 25.65 0 B 1 +ATOM 2974 C C . ALA B 1 172 ? 10.435 32.960 31.791 1.00 25.01 0 B 1 +ATOM 2975 O O . ALA B 1 172 ? 10.623 32.432 32.886 1.00 23.04 0 B 1 +ATOM 2976 C CB . ALA B 1 172 ? 7.992 32.508 31.491 1.00 30.50 0 B 1 +ATOM 2977 N N . PHE B 1 173 ? 11.381 33.032 30.859 1.00 26.18 0 B 1 +ATOM 2978 C CA . PHE B 1 173 ? 12.701 32.443 31.066 1.00 21.10 0 B 1 +ATOM 2979 C C . PHE B 1 173 ? 13.825 33.463 30.910 1.00 18.78 0 B 1 +ATOM 2980 O O . PHE B 1 173 ? 14.427 33.581 29.844 1.00 20.55 0 B 1 +ATOM 2981 C CB . PHE B 1 173 ? 12.902 31.277 30.094 1.00 21.10 0 B 1 +ATOM 2982 C CG . PHE B 1 173 ? 11.837 30.219 30.191 1.00 23.87 0 B 1 +ATOM 2983 C CD1 . PHE B 1 173 ? 11.906 29.234 31.171 1.00 18.46 0 B 1 +ATOM 2984 C CD2 . PHE B 1 173 ? 10.749 30.229 29.323 1.00 19.08 0 B 1 +ATOM 2985 C CE1 . PHE B 1 173 ? 10.904 28.276 31.290 1.00 14.23 0 B 1 +ATOM 2986 C CE2 . PHE B 1 173 ? 9.740 29.275 29.432 1.00 18.91 0 B 1 +ATOM 2987 C CZ . PHE B 1 173 ? 9.818 28.296 30.419 1.00 25.29 0 B 1 +ATOM 2988 N N . PRO B 1 174 ? 14.159 34.175 31.998 1.00 15.72 0 B 1 +ATOM 2989 C CA . PRO B 1 174 ? 15.211 35.196 32.015 1.00 16.41 0 B 1 +ATOM 2990 C C . PRO B 1 174 ? 16.584 34.781 31.492 1.00 19.36 0 B 1 +ATOM 2991 O O . PRO B 1 174 ? 17.246 35.562 30.809 1.00 21.01 0 B 1 +ATOM 2992 C CB . PRO B 1 174 ? 15.255 35.625 33.487 1.00 16.86 0 B 1 +ATOM 2993 C CG . PRO B 1 174 ? 14.677 34.453 34.223 1.00 16.59 0 B 1 +ATOM 2994 C CD . PRO B 1 174 ? 13.551 34.038 33.333 1.00 14.44 0 B 1 +ATOM 2995 N N . LEU B 1 175 ? 17.018 33.566 31.814 1.00 20.80 0 B 1 +ATOM 2996 C CA . LEU B 1 175 ? 18.320 33.078 31.359 1.00 21.32 0 B 1 +ATOM 2997 C C . LEU B 1 175 ? 18.340 32.767 29.861 1.00 18.16 0 B 1 +ATOM 2998 O O . LEU B 1 175 ? 19.303 33.096 29.170 1.00 13.77 0 B 1 +ATOM 2999 C CB . LEU B 1 175 ? 18.747 31.853 32.170 1.00 23.44 0 B 1 +ATOM 3000 C CG . LEU B 1 175 ? 19.588 32.073 33.435 1.00 21.58 0 B 1 +ATOM 3001 C CD1 . LEU B 1 175 ? 19.345 33.431 34.057 1.00 17.52 0 B 1 +ATOM 3002 C CD2 . LEU B 1 175 ? 19.298 30.969 34.420 1.00 13.25 0 B 1 +ATOM 3003 N N . LEU B 1 176 ? 17.277 32.143 29.359 1.00 17.16 0 B 1 +ATOM 3004 C CA . LEU B 1 176 ? 17.193 31.824 27.939 1.00 17.61 0 B 1 +ATOM 3005 C C . LEU B 1 176 ? 17.136 33.113 27.117 1.00 17.18 0 B 1 +ATOM 3006 O O . LEU B 1 176 ? 17.803 33.221 26.087 1.00 19.88 0 B 1 +ATOM 3007 C CB . LEU B 1 176 ? 15.972 30.946 27.643 1.00 15.69 0 B 1 +ATOM 3008 C CG . LEU B 1 176 ? 16.059 29.481 28.085 1.00 14.41 0 B 1 +ATOM 3009 C CD1 . LEU B 1 176 ? 14.751 28.769 27.786 1.00 11.72 0 B 1 +ATOM 3010 C CD2 . LEU B 1 176 ? 17.216 28.783 27.379 1.00 9.36 0 B 1 +ATOM 3011 N N . SER B 1 177 ? 16.373 34.095 27.598 1.00 15.10 0 B 1 +ATOM 3012 C CA . SER B 1 177 ? 16.242 35.385 26.919 1.00 16.57 0 B 1 +ATOM 3013 C C . SER B 1 177 ? 17.585 36.099 26.816 1.00 18.74 0 B 1 +ATOM 3014 O O . SER B 1 177 ? 17.950 36.600 25.751 1.00 20.73 0 B 1 +ATOM 3015 C CB . SER B 1 177 ? 15.242 36.279 27.653 1.00 16.00 0 B 1 +ATOM 3016 O OG . SER B 1 177 ? 13.941 35.722 27.614 1.00 20.33 0 B 1 +ATOM 3017 N N . ALA B 1 178 ? 18.318 36.141 27.924 1.00 11.58 0 B 1 +ATOM 3018 C CA . ALA B 1 178 ? 19.623 36.786 27.942 1.00 17.06 0 B 1 +ATOM 3019 C C . ALA B 1 178 ? 20.579 36.019 27.036 1.00 14.46 0 B 1 +ATOM 3020 O O . ALA B 1 178 ? 21.392 36.614 26.325 1.00 15.80 0 B 1 +ATOM 3021 C CB . ALA B 1 178 ? 20.168 36.831 29.363 1.00 10.21 0 B 1 +ATOM 3022 N N . TYR B 1 179 ? 20.468 34.693 27.079 1.00 16.71 0 B 1 +ATOM 3023 C CA . TYR B 1 179 ? 21.291 33.784 26.279 1.00 12.14 0 B 1 +ATOM 3024 C C . TYR B 1 179 ? 21.106 34.087 24.790 1.00 7.51 0 B 1 +ATOM 3025 O O . TYR B 1 179 ? 22.082 34.258 24.061 1.00 15.37 0 B 1 +ATOM 3026 C CB . TYR B 1 179 ? 20.892 32.339 26.609 1.00 11.62 0 B 1 +ATOM 3027 C CG . TYR B 1 179 ? 21.514 31.257 25.759 1.00 11.65 0 B 1 +ATOM 3028 C CD1 . TYR B 1 179 ? 22.831 30.842 25.963 1.00 13.48 0 B 1 +ATOM 3029 C CD2 . TYR B 1 179 ? 20.759 30.598 24.786 1.00 10.91 0 B 1 +ATOM 3030 C CE1 . TYR B 1 179 ? 23.378 29.792 25.222 1.00 19.05 0 B 1 +ATOM 3031 C CE2 . TYR B 1 179 ? 21.295 29.549 24.041 1.00 20.66 0 B 1 +ATOM 3032 C CZ . TYR B 1 179 ? 22.598 29.151 24.264 1.00 21.12 0 B 1 +ATOM 3033 O OH . TYR B 1 179 ? 23.110 28.108 23.527 1.00 18.52 0 B 1 +ATOM 3034 N N . VAL B 1 180 ? 19.850 34.194 24.362 1.00 12.90 0 B 1 +ATOM 3035 C CA . VAL B 1 180 ? 19.513 34.500 22.973 1.00 13.81 0 B 1 +ATOM 3036 C C . VAL B 1 180 ? 20.072 35.863 22.559 1.00 20.60 0 B 1 +ATOM 3037 O O . VAL B 1 180 ? 20.697 35.980 21.510 1.00 20.35 0 B 1 +ATOM 3038 C CB . VAL B 1 180 ? 17.978 34.484 22.745 1.00 15.30 0 B 1 +ATOM 3039 C CG1 . VAL B 1 180 ? 17.625 35.055 21.374 1.00 18.53 0 B 1 +ATOM 3040 C CG2 . VAL B 1 180 ? 17.452 33.068 22.856 1.00 16.63 0 B 1 +ATOM 3041 N N . GLY B 1 181 ? 19.865 36.879 23.395 1.00 18.58 0 B 1 +ATOM 3042 C CA . GLY B 1 181 ? 20.361 38.210 23.083 1.00 12.06 0 B 1 +ATOM 3043 C C . GLY B 1 181 ? 21.875 38.254 22.999 1.00 18.34 0 B 1 +ATOM 3044 O O . GLY B 1 181 ? 22.445 38.877 22.102 1.00 22.58 0 B 1 +ATOM 3045 N N . ARG B 1 182 ? 22.522 37.554 23.923 1.00 16.53 0 B 1 +ATOM 3046 C CA . ARG B 1 182 ? 23.978 37.496 23.994 1.00 22.44 0 B 1 +ATOM 3047 C C . ARG B 1 182 ? 24.591 36.826 22.759 1.00 25.73 0 B 1 +ATOM 3048 O O . ARG B 1 182 ? 25.530 37.356 22.162 1.00 27.11 0 B 1 +ATOM 3049 C CB . ARG B 1 182 ? 24.393 36.743 25.260 1.00 19.69 0 B 1 +ATOM 3050 C CG . ARG B 1 182 ? 25.872 36.818 25.602 1.00 21.09 0 B 1 +ATOM 3051 C CD . ARG B 1 182 ? 26.198 35.901 26.779 1.00 22.39 0 B 1 +ATOM 3052 N NE . ARG B 1 182 ? 25.217 36.053 27.848 1.00 22.10 0 B 1 +ATOM 3053 C CZ . ARG B 1 182 ? 24.516 35.055 28.377 1.00 22.91 0 B 1 +ATOM 3054 N NH1 . ARG B 1 182 ? 24.685 33.808 27.956 1.00 16.66 0 B 1 +ATOM 3055 N NH2 . ARG B 1 182 ? 23.594 35.315 29.291 1.00 29.17 0 B 1 +ATOM 3056 N N . LEU B 1 183 ? 24.069 35.659 22.384 1.00 26.25 0 B 1 +ATOM 3057 C CA . LEU B 1 183 ? 24.586 34.942 21.220 1.00 22.67 0 B 1 +ATOM 3058 C C . LEU B 1 183 ? 24.290 35.679 19.910 1.00 18.30 0 B 1 +ATOM 3059 O O . LEU B 1 183 ? 25.139 35.736 19.024 1.00 13.93 0 B 1 +ATOM 3060 C CB . LEU B 1 183 ? 24.045 33.510 21.165 1.00 22.19 0 B 1 +ATOM 3061 C CG . LEU B 1 183 ? 24.545 32.516 22.220 1.00 22.41 0 B 1 +ATOM 3062 C CD1 . LEU B 1 183 ? 24.214 31.104 21.769 1.00 20.64 0 B 1 +ATOM 3063 C CD2 . LEU B 1 183 ? 26.046 32.644 22.408 1.00 19.56 0 B 1 +ATOM 3064 N N . SER B 1 184 ? 23.088 36.246 19.806 1.00 19.36 0 B 1 +ATOM 3065 C CA . SER B 1 184 ? 22.673 37.002 18.627 1.00 20.42 0 B 1 +ATOM 3066 C C . SER B 1 184 ? 23.539 38.243 18.419 1.00 20.33 0 B 1 +ATOM 3067 O O . SER B 1 184 ? 23.526 38.835 17.337 1.00 12.83 0 B 1 +ATOM 3068 C CB . SER B 1 184 ? 21.222 37.457 18.768 1.00 15.74 0 B 1 +ATOM 3069 O OG . SER B 1 184 ? 20.335 36.362 18.844 1.00 16.70 0 B 1 +ATOM 3070 N N . ALA B 1 185 ? 24.266 38.642 19.462 1.00 18.29 0 B 1 +ATOM 3071 C CA . ALA B 1 185 ? 25.122 39.823 19.411 1.00 23.43 0 B 1 +ATOM 3072 C C . ALA B 1 185 ? 26.542 39.550 18.918 1.00 26.18 0 B 1 +ATOM 3073 O O . ALA B 1 185 ? 27.303 40.486 18.666 1.00 24.92 0 B 1 +ATOM 3074 C CB . ALA B 1 185 ? 25.160 40.503 20.777 1.00 20.43 0 B 1 +ATOM 3075 N N . ARG B 1 186 ? 26.911 38.278 18.801 1.00 26.18 0 B 1 +ATOM 3076 C CA . ARG B 1 186 ? 28.247 37.925 18.324 1.00 26.64 0 B 1 +ATOM 3077 C C . ARG B 1 186 ? 28.400 38.520 16.923 1.00 28.41 0 B 1 +ATOM 3078 O O . ARG B 1 186 ? 27.537 38.330 16.069 1.00 30.13 0 B 1 +ATOM 3079 C CB . ARG B 1 186 ? 28.419 36.402 18.319 1.00 23.40 0 B 1 +ATOM 3080 C CG . ARG B 1 186 ? 28.309 35.792 19.719 1.00 18.60 0 B 1 +ATOM 3081 C CD . ARG B 1 186 ? 28.265 34.267 19.701 1.00 20.48 0 B 1 +ATOM 3082 N NE . ARG B 1 186 ? 29.456 33.685 19.091 1.00 25.07 0 B 1 +ATOM 3083 C CZ . ARG B 1 186 ? 30.578 33.396 19.744 1.00 26.64 0 B 1 +ATOM 3084 N NH1 . ARG B 1 186 ? 30.676 33.621 21.050 1.00 19.44 0 B 1 +ATOM 3085 N NH2 . ARG B 1 186 ? 31.604 32.869 19.090 1.00 23.60 0 B 1 +ATOM 3086 N N . PRO B 1 187 ? 29.488 39.274 16.686 1.00 30.59 0 B 1 +ATOM 3087 C CA . PRO B 1 187 ? 29.827 39.950 15.425 1.00 26.44 0 B 1 +ATOM 3088 C C . PRO B 1 187 ? 29.441 39.247 14.115 1.00 21.46 0 B 1 +ATOM 3089 O O . PRO B 1 187 ? 28.553 39.717 13.390 1.00 24.71 0 B 1 +ATOM 3090 C CB . PRO B 1 187 ? 31.335 40.139 15.548 1.00 30.16 0 B 1 +ATOM 3091 C CG . PRO B 1 187 ? 31.496 40.416 16.994 1.00 27.07 0 B 1 +ATOM 3092 C CD . PRO B 1 187 ? 30.617 39.361 17.630 1.00 28.27 0 B 1 +ATOM 3093 N N . LYS B 1 188 ? 30.106 38.132 13.817 1.00 21.60 0 B 1 +ATOM 3094 C CA . LYS B 1 188 ? 29.845 37.374 12.593 1.00 18.43 0 B 1 +ATOM 3095 C C . LYS B 1 188 ? 28.436 36.797 12.510 1.00 18.26 0 B 1 +ATOM 3096 O O . LYS B 1 188 ? 27.838 36.774 11.434 1.00 20.91 0 B 1 +ATOM 3097 C CB . LYS B 1 188 ? 30.881 36.265 12.427 1.00 18.51 0 B 1 +ATOM 3098 C CG . LYS B 1 188 ? 32.297 36.785 12.316 1.00 24.79 0 B 1 +ATOM 3099 C CD . LYS B 1 188 ? 33.317 35.663 12.365 1.00 29.19 0 B 1 +ATOM 3100 C CE . LYS B 1 188 ? 34.731 36.219 12.413 1.00 30.22 0 B 1 +ATOM 3101 N NZ . LYS B 1 188 ? 34.991 37.115 11.248 1.00 37.51 0 B 1 +ATOM 3102 N N . LEU B 1 189 ? 27.900 36.357 13.647 1.00 21.29 0 B 1 +ATOM 3103 C CA . LEU B 1 189 ? 26.554 35.785 13.697 1.00 18.96 0 B 1 +ATOM 3104 C C . LEU B 1 189 ? 25.487 36.847 13.462 1.00 17.64 0 B 1 +ATOM 3105 O O . LEU B 1 189 ? 24.491 36.594 12.780 1.00 21.16 0 B 1 +ATOM 3106 C CB . LEU B 1 189 ? 26.301 35.116 15.050 1.00 20.25 0 B 1 +ATOM 3107 C CG . LEU B 1 189 ? 25.680 33.717 15.053 1.00 20.25 0 B 1 +ATOM 3108 C CD1 . LEU B 1 189 ? 25.217 33.395 16.463 1.00 16.53 0 B 1 +ATOM 3109 C CD2 . LEU B 1 189 ? 24.513 33.625 14.092 1.00 14.65 0 B 1 +ATOM 3110 N N . LYS B 1 190 ? 25.695 38.025 14.049 1.00 14.01 0 B 1 +ATOM 3111 C CA . LYS B 1 190 ? 24.762 39.142 13.912 1.00 16.31 0 B 1 +ATOM 3112 C C . LYS B 1 190 ? 24.663 39.571 12.448 1.00 14.21 0 B 1 +ATOM 3113 O O . LYS B 1 190 ? 23.568 39.802 11.932 1.00 17.24 0 B 1 +ATOM 3114 C CB . LYS B 1 190 ? 25.213 40.329 14.764 1.00 22.64 0 B 1 +ATOM 3115 C CG . LYS B 1 190 ? 24.250 41.493 14.713 1.00 23.47 0 B 1 +ATOM 3116 C CD . LYS B 1 190 ? 24.779 42.685 15.469 1.00 31.13 0 B 1 +ATOM 3117 C CE . LYS B 1 190 ? 23.784 43.830 15.405 1.00 33.37 0 B 1 +ATOM 3118 N NZ . LYS B 1 190 ? 24.286 45.018 16.141 1.00 40.48 0 B 1 +ATOM 3119 N N . ALA B 1 191 ? 25.819 39.665 11.794 1.00 15.99 0 B 1 +ATOM 3120 C CA . ALA B 1 191 ? 25.898 40.042 10.385 1.00 18.03 0 B 1 +ATOM 3121 C C . ALA B 1 191 ? 25.154 39.015 9.527 1.00 20.66 0 B 1 +ATOM 3122 O O . ALA B 1 191 ? 24.355 39.377 8.661 1.00 26.50 0 B 1 +ATOM 3123 C CB . ALA B 1 191 ? 27.357 40.133 9.957 1.00 14.30 0 B 1 +ATOM 3124 N N . PHE B 1 192 ? 25.393 37.733 9.803 1.00 22.15 0 B 1 +ATOM 3125 C CA . PHE B 1 192 ? 24.747 36.647 9.071 1.00 14.39 0 B 1 +ATOM 3126 C C . PHE B 1 192 ? 23.232 36.623 9.256 1.00 11.67 0 B 1 +ATOM 3127 O O . PHE B 1 192 ? 22.489 36.459 8.290 1.00 19.68 0 B 1 +ATOM 3128 C CB . PHE B 1 192 ? 25.346 35.292 9.473 1.00 19.55 0 B 1 +ATOM 3129 C CG . PHE B 1 192 ? 24.670 34.111 8.822 1.00 19.45 0 B 1 +ATOM 3130 C CD1 . PHE B 1 192 ? 24.921 33.794 7.488 1.00 15.14 0 B 1 +ATOM 3131 C CD2 . PHE B 1 192 ? 23.762 33.329 9.536 1.00 17.19 0 B 1 +ATOM 3132 C CE1 . PHE B 1 192 ? 24.274 32.721 6.871 1.00 12.58 0 B 1 +ATOM 3133 C CE2 . PHE B 1 192 ? 23.110 32.256 8.930 1.00 14.15 0 B 1 +ATOM 3134 C CZ . PHE B 1 192 ? 23.367 31.951 7.593 1.00 12.14 0 B 1 +ATOM 3135 N N . LEU B 1 193 ? 22.773 36.789 10.492 1.00 13.49 0 B 1 +ATOM 3136 C CA . LEU B 1 193 ? 21.336 36.771 10.775 1.00 15.50 0 B 1 +ATOM 3137 C C . LEU B 1 193 ? 20.581 37.923 10.123 1.00 19.11 0 B 1 +ATOM 3138 O O . LEU B 1 193 ? 19.370 37.834 9.914 1.00 24.51 0 B 1 +ATOM 3139 C CB . LEU B 1 193 ? 21.076 36.772 12.286 1.00 12.08 0 B 1 +ATOM 3140 C CG . LEU B 1 193 ? 21.483 35.511 13.052 1.00 15.18 0 B 1 +ATOM 3141 C CD1 . LEU B 1 193 ? 21.284 35.724 14.541 1.00 8.36 0 B 1 +ATOM 3142 C CD2 . LEU B 1 193 ? 20.676 34.320 12.567 1.00 6.63 0 B 1 +ATOM 3143 N N . ALA B 1 194 ? 21.300 38.993 9.790 1.00 18.65 0 B 1 +ATOM 3144 C CA . ALA B 1 194 ? 20.686 40.157 9.166 1.00 19.38 0 B 1 +ATOM 3145 C C . ALA B 1 194 ? 20.754 40.134 7.639 1.00 19.83 0 B 1 +ATOM 3146 O O . ALA B 1 194 ? 20.049 40.896 6.977 1.00 23.33 0 B 1 +ATOM 3147 C CB . ALA B 1 194 ? 21.328 41.430 9.699 1.00 15.24 0 B 1 +ATOM 3148 N N . SER B 1 195 ? 21.581 39.247 7.087 1.00 21.13 0 B 1 +ATOM 3149 C CA . SER B 1 195 ? 21.767 39.134 5.634 1.00 17.90 0 B 1 +ATOM 3150 C C . SER B 1 195 ? 20.570 38.551 4.875 1.00 23.92 0 B 1 +ATOM 3151 O O . SER B 1 195 ? 19.751 37.834 5.450 1.00 22.17 0 B 1 +ATOM 3152 C CB . SER B 1 195 ? 23.009 38.296 5.336 1.00 15.47 0 B 1 +ATOM 3153 O OG . SER B 1 195 ? 22.754 36.920 5.553 1.00 21.25 0 B 1 +ATOM 3154 N N . PRO B 1 196 ? 20.459 38.850 3.566 1.00 25.26 0 B 1 +ATOM 3155 C CA . PRO B 1 196 ? 19.368 38.363 2.712 1.00 23.00 0 B 1 +ATOM 3156 C C . PRO B 1 196 ? 19.424 36.837 2.613 1.00 21.73 0 B 1 +ATOM 3157 O O . PRO B 1 196 ? 18.404 36.167 2.472 1.00 18.53 0 B 1 +ATOM 3158 C CB . PRO B 1 196 ? 19.684 38.997 1.354 1.00 24.29 0 B 1 +ATOM 3159 C CG . PRO B 1 196 ? 20.451 40.225 1.711 1.00 20.55 0 B 1 +ATOM 3160 C CD . PRO B 1 196 ? 21.359 39.731 2.794 1.00 15.32 0 B 1 +ATOM 3161 N N . GLU B 1 197 ? 20.648 36.319 2.669 1.00 20.96 0 B 1 +ATOM 3162 C CA . GLU B 1 197 ? 20.949 34.893 2.601 1.00 22.86 0 B 1 +ATOM 3163 C C . GLU B 1 197 ? 20.135 34.114 3.635 1.00 26.46 0 B 1 +ATOM 3164 O O . GLU B 1 197 ? 19.642 33.013 3.363 1.00 21.00 0 B 1 +ATOM 3165 C CB . GLU B 1 197 ? 22.436 34.720 2.888 1.00 26.21 0 B 1 +ATOM 3166 C CG . GLU B 1 197 ? 23.027 33.392 2.540 1.00 28.84 0 B 1 +ATOM 3167 C CD . GLU B 1 197 ? 24.517 33.359 2.798 1.00 25.99 0 B 1 +ATOM 3168 O OE1 . GLU B 1 197 ? 25.173 34.412 2.628 1.00 25.70 0 B 1 +ATOM 3169 O OE2 . GLU B 1 197 ? 25.031 32.280 3.159 1.00 29.94 0 B 1 +ATOM 3170 N N . TYR B 1 198 ? 20.005 34.702 4.823 1.00 27.33 0 B 1 +ATOM 3171 C CA . TYR B 1 198 ? 19.261 34.105 5.923 1.00 19.34 0 B 1 +ATOM 3172 C C . TYR B 1 198 ? 17.818 34.610 5.957 1.00 20.19 0 B 1 +ATOM 3173 O O . TYR B 1 198 ? 16.867 33.826 5.883 1.00 20.35 0 B 1 +ATOM 3174 C CB . TYR B 1 198 ? 19.967 34.420 7.254 1.00 15.45 0 B 1 +ATOM 3175 C CG . TYR B 1 198 ? 19.226 33.955 8.490 1.00 12.17 0 B 1 +ATOM 3176 C CD1 . TYR B 1 198 ? 19.427 32.677 9.012 1.00 9.87 0 B 1 +ATOM 3177 C CD2 . TYR B 1 198 ? 18.309 34.789 9.127 1.00 15.82 0 B 1 +ATOM 3178 C CE1 . TYR B 1 198 ? 18.727 32.239 10.140 1.00 12.46 0 B 1 +ATOM 3179 C CE2 . TYR B 1 198 ? 17.608 34.367 10.249 1.00 21.35 0 B 1 +ATOM 3180 C CZ . TYR B 1 198 ? 17.817 33.092 10.750 1.00 17.33 0 B 1 +ATOM 3181 O OH . TYR B 1 198 ? 17.103 32.675 11.849 1.00 19.87 0 B 1 +ATOM 3182 N N . VAL B 1 199 ? 17.670 35.927 6.049 1.00 19.14 0 B 1 +ATOM 3183 C CA . VAL B 1 199 ? 16.366 36.582 6.134 1.00 19.10 0 B 1 +ATOM 3184 C C . VAL B 1 199 ? 15.352 36.264 5.038 1.00 17.68 0 B 1 +ATOM 3185 O O . VAL B 1 199 ? 14.171 36.078 5.326 1.00 18.04 0 B 1 +ATOM 3186 C CB . VAL B 1 199 ? 16.534 38.123 6.238 1.00 20.97 0 B 1 +ATOM 3187 C CG1 . VAL B 1 199 ? 15.184 38.817 6.206 1.00 20.99 0 B 1 +ATOM 3188 C CG2 . VAL B 1 199 ? 17.271 38.484 7.512 1.00 17.13 0 B 1 +ATOM 3189 N N . ASN B 1 200 ? 15.803 36.184 3.790 1.00 21.55 0 B 1 +ATOM 3190 C CA . ASN B 1 200 ? 14.886 35.928 2.675 1.00 25.18 0 B 1 +ATOM 3191 C C . ASN B 1 200 ? 14.529 34.473 2.387 1.00 24.64 0 B 1 +ATOM 3192 O O . ASN B 1 200 ? 13.881 34.168 1.385 1.00 25.69 0 B 1 +ATOM 3193 C CB . ASN B 1 200 ? 15.377 36.642 1.412 1.00 24.45 0 B 1 +ATOM 3194 C CG . ASN B 1 200 ? 15.353 38.154 1.561 1.00 27.13 0 B 1 +ATOM 3195 N ND2 . ASN B 1 200 ? 16.351 38.828 1.000 1.00 28.21 0 B 1 +ATOM 3196 O OD1 . ASN B 1 200 ? 14.457 38.706 2.201 1.00 23.60 0 B 1 +ATOM 3197 N N . LEU B 1 201 ? 14.936 33.584 3.283 1.00 20.73 0 B 1 +ATOM 3198 C CA . LEU B 1 201 ? 14.641 32.164 3.155 1.00 15.96 0 B 1 +ATOM 3199 C C . LEU B 1 201 ? 13.515 31.839 4.129 1.00 19.98 0 B 1 +ATOM 3200 O O . LEU B 1 201 ? 13.528 32.304 5.271 1.00 25.50 0 B 1 +ATOM 3201 C CB . LEU B 1 201 ? 15.881 31.355 3.532 1.00 15.95 0 B 1 +ATOM 3202 C CG . LEU B 1 201 ? 16.493 30.419 2.496 1.00 18.38 0 B 1 +ATOM 3203 C CD1 . LEU B 1 201 ? 16.619 31.110 1.151 1.00 16.86 0 B 1 +ATOM 3204 C CD2 . LEU B 1 201 ? 17.848 29.953 3.002 1.00 12.46 0 B 1 +ATOM 3205 N N . PRO B 1 202 ? 12.488 31.097 3.676 1.00 18.50 0 B 1 +ATOM 3206 C CA . PRO B 1 202 ? 11.390 30.756 4.594 1.00 15.12 0 B 1 +ATOM 3207 C C . PRO B 1 202 ? 11.907 29.747 5.625 1.00 15.58 0 B 1 +ATOM 3208 O O . PRO B 1 202 ? 12.851 29.003 5.345 1.00 16.38 0 B 1 +ATOM 3209 C CB . PRO B 1 202 ? 10.350 30.134 3.662 1.00 14.29 0 B 1 +ATOM 3210 C CG . PRO B 1 202 ? 11.187 29.505 2.596 1.00 16.63 0 B 1 +ATOM 3211 C CD . PRO B 1 202 ? 12.232 30.566 2.328 1.00 16.20 0 B 1 +ATOM 3212 N N . ILE B 1 203 ? 11.325 29.746 6.822 1.00 14.53 0 B 1 +ATOM 3213 C CA . ILE B 1 203 ? 11.769 28.824 7.865 1.00 18.40 0 B 1 +ATOM 3214 C C . ILE B 1 203 ? 11.506 27.368 7.468 1.00 23.26 0 B 1 +ATOM 3215 O O . ILE B 1 203 ? 12.410 26.528 7.505 1.00 23.19 0 B 1 +ATOM 3216 C CB . ILE B 1 203 ? 11.087 29.126 9.234 1.00 12.52 0 B 1 +ATOM 3217 C CG1 . ILE B 1 203 ? 11.539 30.496 9.751 1.00 13.41 0 B 1 +ATOM 3218 C CG2 . ILE B 1 203 ? 11.443 28.047 10.257 1.00 10.56 0 B 1 +ATOM 3219 C CD1 . ILE B 1 203 ? 10.893 30.904 11.060 1.00 12.66 0 B 1 +ATOM 3220 N N . ASN B 1 204 ? 10.273 27.098 7.053 1.00 26.24 0 B 1 +ATOM 3221 C CA . ASN B 1 204 ? 9.868 25.757 6.658 1.00 19.80 0 B 1 +ATOM 3222 C C . ASN B 1 204 ? 9.429 25.659 5.195 1.00 21.93 0 B 1 +ATOM 3223 O O . ASN B 1 204 ? 9.132 26.666 4.548 1.00 22.04 0 B 1 +ATOM 3224 C CB . ASN B 1 204 ? 8.749 25.268 7.586 1.00 18.30 0 B 1 +ATOM 3225 C CG . ASN B 1 204 ? 9.135 25.365 9.053 1.00 14.35 0 B 1 +ATOM 3226 N ND2 . ASN B 1 204 ? 8.392 26.159 9.813 1.00 7.66 0 B 1 +ATOM 3227 O OD1 . ASN B 1 204 ? 10.094 24.730 9.492 1.00 21.92 0 B 1 +ATOM 3228 N N . GLY B 1 205 ? 9.396 24.430 4.688 1.00 26.54 0 B 1 +ATOM 3229 C CA . GLY B 1 205 ? 9.018 24.184 3.311 1.00 24.22 0 B 1 +ATOM 3230 C C . GLY B 1 205 ? 7.556 24.355 2.944 1.00 26.89 0 B 1 +ATOM 3231 O O . GLY B 1 205 ? 7.223 24.334 1.761 1.00 27.16 0 B 1 +ATOM 3232 N N . ASN B 1 206 ? 6.676 24.527 3.925 1.00 23.46 0 B 1 +ATOM 3233 C CA . ASN B 1 206 ? 5.256 24.695 3.624 1.00 25.80 0 B 1 +ATOM 3234 C C . ASN B 1 206 ? 4.724 26.105 3.889 1.00 28.61 0 B 1 +ATOM 3235 O O . ASN B 1 206 ? 3.511 26.327 3.918 1.00 25.95 0 B 1 +ATOM 3236 C CB . ASN B 1 206 ? 4.406 23.646 4.359 1.00 24.67 0 B 1 +ATOM 3237 C CG . ASN B 1 206 ? 4.395 23.837 5.869 1.00 28.71 0 B 1 +ATOM 3238 N ND2 . ASN B 1 206 ? 3.457 23.173 6.537 1.00 24.47 0 B 1 +ATOM 3239 O OD1 . ASN B 1 206 ? 5.209 24.572 6.426 1.00 27.42 0 B 1 +ATOM 3240 N N . GLY B 1 207 ? 5.634 27.054 4.089 1.00 33.24 0 B 1 +ATOM 3241 C CA . GLY B 1 207 ? 5.230 28.428 4.331 1.00 36.25 0 B 1 +ATOM 3242 C C . GLY B 1 207 ? 4.623 28.715 5.693 1.00 34.91 0 B 1 +ATOM 3243 O O . GLY B 1 207 ? 4.155 29.828 5.936 1.00 38.54 0 B 1 +ATOM 3244 N N . LYS B 1 208 ? 4.597 27.717 6.571 1.00 28.00 0 B 1 +ATOM 3245 C CA . LYS B 1 208 ? 4.056 27.909 7.911 1.00 23.51 0 B 1 +ATOM 3246 C C . LYS B 1 208 ? 5.206 28.170 8.878 1.00 24.82 0 B 1 +ATOM 3247 O O . LYS B 1 208 ? 6.328 27.720 8.647 1.00 26.76 0 B 1 +ATOM 3248 C CB . LYS B 1 208 ? 3.233 26.695 8.341 1.00 25.92 0 B 1 +ATOM 3249 C CG . LYS B 1 208 ? 2.007 26.480 7.474 1.00 30.95 0 B 1 +ATOM 3250 C CD . LYS B 1 208 ? 1.195 25.291 7.926 1.00 34.64 0 B 1 +ATOM 3251 C CE . LYS B 1 208 ? -0.012 25.107 7.027 1.00 35.28 0 B 1 +ATOM 3252 N NZ . LYS B 1 208 ? -0.843 23.951 7.447 1.00 28.67 0 B 1 +ATOM 3253 N N . GLN B 1 209 ? 4.930 28.935 9.932 1.00 24.80 0 B 1 +ATOM 3254 C CA . GLN B 1 209 ? 5.937 29.288 10.932 1.00 22.99 0 B 1 +ATOM 3255 C C . GLN B 1 209 ? 5.293 29.857 12.198 1.00 24.33 0 B 1 +ATOM 3256 O O . GLN B 1 209 ? 6.039 30.248 13.126 1.00 24.66 0 B 1 +ATOM 3257 C CB . GLN B 1 209 ? 6.903 30.317 10.352 1.00 21.13 0 B 1 +ATOM 3258 C CG . GLN B 1 209 ? 6.206 31.505 9.726 1.00 21.64 0 B 1 +ATOM 3259 C CD . GLN B 1 209 ? 7.146 32.636 9.396 1.00 23.83 0 B 1 +ATOM 3260 N NE2 . GLN B 1 209 ? 8.237 32.319 8.697 1.00 29.73 0 B 1 +ATOM 3261 O OE1 . GLN B 1 209 ? 6.914 33.780 9.783 1.00 34.40 0 B 1 +ATOM 3262 O OXT . GLN B 1 209 ? 4.045 29.916 12.245 1.00 27.65 0 B 1 +HETATM 3263 N N . VWW C 2 210 ? 15.088 10.798 23.547 1.00 14.90 0 A 1 +HETATM 3264 C CA . VWW C 2 210 ? 15.010 9.987 24.792 1.00 20.92 0 A 1 +HETATM 3265 C CA1 . VWW C 2 210 ? 10.472 6.967 27.934 1.00 24.20 0 A 1 +HETATM 3266 C CA2 . VWW C 2 210 ? 7.740 7.933 30.366 1.00 24.25 0 A 1 +HETATM 3267 C C . VWW C 2 210 ? 16.115 8.924 24.830 1.00 21.55 0 A 1 +HETATM 3268 O O . VWW C 2 210 ? 16.520 8.515 25.940 1.00 17.16 0 A 1 +HETATM 3269 C CB . VWW C 2 210 ? 13.635 9.327 24.908 1.00 14.23 0 A 1 +HETATM 3270 C CB1 . VWW C 2 210 ? 10.726 5.484 28.206 1.00 26.79 0 A 1 +HETATM 3271 C CB2 . VWW C 2 210 ? 6.555 7.062 30.633 1.00 24.94 0 A 1 +HETATM 3272 C CG . VWW C 2 210 ? 13.394 8.708 26.271 1.00 18.34 0 A 1 +HETATM 3273 C CG1 . VWW C 2 210 ? 5.330 7.315 30.027 1.00 25.47 0 A 1 +HETATM 3274 C CG2 . VWW C 2 210 ? 6.683 5.941 31.441 1.00 26.11 0 A 1 +HETATM 3275 S SG . VWW C 2 210 ? 11.291 4.524 26.810 1.00 31.02 0 A 1 +HETATM 3276 C CD . VWW C 2 210 ? 12.045 8.046 26.402 1.00 18.27 0 A 1 +HETATM 3277 C CD1 . VWW C 2 210 ? 9.729 3.804 26.262 1.00 32.02 0 A 1 +HETATM 3278 C CD11 . VWW C 2 210 ? 4.250 6.459 30.220 1.00 26.21 0 A 1 +HETATM 3279 C CD2 . VWW C 2 210 ? 5.611 5.081 31.640 1.00 25.33 0 A 1 +HETATM 3280 C CE . VWW C 2 210 ? 8.930 3.171 27.370 1.00 33.22 0 A 1 +HETATM 3281 C CE1 . VWW C 2 210 ? 4.392 5.339 31.027 1.00 24.08 0 A 1 +HETATM 3282 O OE1 . VWW C 2 210 ? 11.293 7.936 25.435 1.00 19.98 0 A 1 +HETATM 3283 C CZ1 . VWW C 2 210 ? 7.640 3.614 27.650 1.00 35.26 0 A 1 +HETATM 3284 C CZ2 . VWW C 2 210 ? 9.464 2.135 28.133 1.00 31.51 0 A 1 +HETATM 3285 C CH . VWW C 2 210 ? 7.437 2.001 29.430 1.00 30.54 0 A 1 +HETATM 3286 O OXT . VWW C 2 210 ? 16.578 8.524 23.744 1.00 21.48 0 A 1 +HETATM 3287 O OXT1 . VWW C 2 210 ? 7.569 10.068 29.284 1.00 29.96 0 A 1 +HETATM 3288 C C1 . VWW C 2 210 ? 9.834 7.550 29.180 1.00 22.41 0 A 1 +HETATM 3289 N N1 . VWW C 2 210 ? 11.726 7.642 27.628 1.00 23.67 0 A 1 +HETATM 3290 O O1 . VWW C 2 210 ? 10.522 8.023 30.084 1.00 21.77 0 A 1 +HETATM 3291 C C2 . VWW C 2 210 ? 7.452 9.433 30.354 1.00 29.42 0 A 1 +HETATM 3292 N N2 . VWW C 2 210 ? 8.512 7.468 29.229 1.00 21.35 0 A 1 +HETATM 3293 O O2 . VWW C 2 210 ? 7.116 9.957 31.433 1.00 30.71 0 A 1 +HETATM 3294 C CT1 . VWW C 2 210 ? 6.893 3.037 28.673 1.00 35.56 0 A 1 +HETATM 3295 C CT2 . VWW C 2 210 ? 8.723 1.550 29.161 1.00 27.28 0 A 1 +HETATM 3296 O O1 . MES D 3 211 ? 22.426 -6.667 36.176 1.00 47.79 0 A 1 +HETATM 3297 O O1S . MES D 3 211 ? 27.719 -9.006 31.068 1.00 60.43 0 A 1 +HETATM 3298 C C2 . MES D 3 211 ? 22.801 -7.743 37.079 1.00 46.49 0 A 1 +HETATM 3299 O O2S . MES D 3 211 ? 26.255 -11.032 31.776 1.00 58.34 0 A 1 +HETATM 3300 C C3 . MES D 3 211 ? 23.908 -8.618 36.449 1.00 45.47 0 A 1 +HETATM 3301 O O3S . MES D 3 211 ? 28.102 -10.124 33.414 1.00 56.85 0 A 1 +HETATM 3302 N N4 . MES D 3 211 ? 24.406 -8.004 35.114 1.00 49.73 0 A 1 +HETATM 3303 C C5 . MES D 3 211 ? 24.696 -6.484 35.214 1.00 41.90 0 A 1 +HETATM 3304 C C6 . MES D 3 211 ? 23.492 -5.734 35.827 1.00 45.08 0 A 1 +HETATM 3305 C C7 . MES D 3 211 ? 25.584 -8.790 34.500 1.00 49.89 0 A 1 +HETATM 3306 C C8 . MES D 3 211 ? 25.740 -8.580 32.981 1.00 55.35 0 A 1 +HETATM 3307 S S . MES D 3 211 ? 26.952 -9.695 32.274 1.00 57.16 0 A 1 +HETATM 3308 N N . VWW E 2 210 ? 17.077 12.945 10.162 1.00 16.89 0 B 1 +HETATM 3309 C CA . VWW E 2 210 ? 17.306 13.763 8.940 1.00 21.84 0 B 1 +HETATM 3310 C CA1 . VWW E 2 210 ? 13.684 16.374 4.504 1.00 22.40 0 B 1 +HETATM 3311 C CA2 . VWW E 2 210 ? 11.953 15.187 1.357 1.00 26.47 0 B 1 +HETATM 3312 C C . VWW E 2 210 ? 18.253 14.931 9.229 1.00 24.69 0 B 1 +HETATM 3313 O O . VWW E 2 210 ? 18.940 15.391 8.288 1.00 19.58 0 B 1 +HETATM 3314 C CB . VWW E 2 210 ? 15.973 14.285 8.391 1.00 21.52 0 B 1 +HETATM 3315 C CB1 . VWW E 2 210 ? 13.860 17.880 4.304 1.00 25.98 0 B 1 +HETATM 3316 C CB2 . VWW E 2 210 ? 10.828 15.943 0.724 1.00 27.64 0 B 1 +HETATM 3317 C CG . VWW E 2 210 ? 16.106 14.903 7.011 1.00 21.74 0 B 1 +HETATM 3318 C CG1 . VWW E 2 210 ? 9.506 15.556 0.922 1.00 28.67 0 B 1 +HETATM 3319 C CG2 . VWW E 2 210 ? 11.088 17.086 -0.019 1.00 27.10 0 B 1 +HETATM 3320 S SG . VWW E 2 210 ? 13.864 18.870 5.795 1.00 35.19 0 B 1 +HETATM 3321 C CD . VWW E 2 210 ? 14.805 15.431 6.460 1.00 19.99 0 B 1 +HETATM 3322 C CD1 . VWW E 2 210 ? 12.146 19.418 5.816 1.00 31.95 0 B 1 +HETATM 3323 C CD11 . VWW E 2 210 ? 8.460 16.304 0.392 1.00 26.56 0 B 1 +HETATM 3324 C CD2 . VWW E 2 210 ? 10.051 17.840 -0.551 1.00 27.11 0 B 1 +HETATM 3325 C CE . VWW E 2 210 ? 11.671 19.986 4.505 1.00 31.48 0 B 1 +HETATM 3326 C CE1 . VWW E 2 210 ? 8.734 17.449 -0.345 1.00 24.74 0 B 1 +HETATM 3327 O OE1 . VWW E 2 210 ? 13.783 15.449 7.146 1.00 22.91 0 B 1 +HETATM 3328 C CZ1 . VWW E 2 210 ? 10.584 19.426 3.847 1.00 31.71 0 B 1 +HETATM 3329 C CZ2 . VWW E 2 210 ? 12.309 21.081 3.929 1.00 30.47 0 B 1 +HETATM 3330 C CH . VWW E 2 210 ? 10.781 21.040 2.071 1.00 29.23 0 B 1 +HETATM 3331 O OXT . VWW E 2 210 ? 18.308 15.365 10.399 1.00 24.44 0 B 1 +HETATM 3332 O OXT1 . VWW E 2 210 ? 11.666 13.022 2.358 1.00 31.09 0 B 1 +HETATM 3333 C C1 . VWW E 2 210 ? 13.527 15.754 3.130 1.00 22.49 0 B 1 +HETATM 3334 N N1 . VWW E 2 210 ? 14.842 15.822 5.191 1.00 19.67 0 B 1 +HETATM 3335 O O1 . VWW E 2 210 ? 14.506 15.367 2.491 1.00 21.23 0 B 1 +HETATM 3336 C C2 . VWW E 2 210 ? 11.827 13.665 1.299 1.00 32.59 0 B 1 +HETATM 3337 N N2 . VWW E 2 210 ? 12.284 15.705 2.672 1.00 24.26 0 B 1 +HETATM 3338 O O2 . VWW E 2 210 ? 11.904 13.131 0.176 1.00 37.14 0 B 1 +HETATM 3339 C CT1 . VWW E 2 210 ? 10.137 19.946 2.637 1.00 34.94 0 B 1 +HETATM 3340 C CT2 . VWW E 2 210 ? 11.868 21.609 2.717 1.00 29.43 0 B 1 +HETATM 3341 O O1 . MES F 3 211 ? 26.183 31.272 0.193 1.00 47.12 0 B 1 +HETATM 3342 O O1S . MES F 3 211 ? 29.363 34.038 6.659 1.00 62.19 0 B 1 +HETATM 3343 C C2 . MES F 3 211 ? 26.710 32.396 -0.566 1.00 47.61 0 B 1 +HETATM 3344 O O2S . MES F 3 211 ? 28.000 35.922 5.502 1.00 57.67 0 B 1 +HETATM 3345 C C3 . MES F 3 211 ? 27.473 33.366 0.366 1.00 47.56 0 B 1 +HETATM 3346 O O3S . MES F 3 211 ? 30.342 35.231 4.534 1.00 60.73 0 B 1 +HETATM 3347 N N4 . MES F 3 211 ? 27.589 32.781 1.797 1.00 49.71 0 B 1 +HETATM 3348 C C5 . MES F 3 211 ? 28.048 31.299 1.811 1.00 44.05 0 B 1 +HETATM 3349 C C6 . MES F 3 211 ? 27.174 30.444 0.869 1.00 43.80 0 B 1 +HETATM 3350 C C7 . MES F 3 211 ? 28.433 33.671 2.737 1.00 50.84 0 B 1 +HETATM 3351 C C8 . MES F 3 211 ? 28.128 33.451 4.233 1.00 55.09 0 B 1 +HETATM 3352 S S . MES F 3 211 ? 28.942 34.670 5.266 1.00 57.55 0 B 1 +HETATM 3353 O O . HOH G 4 212 ? 16.856 5.713 8.800 1.00 16.93 0 A 1 +HETATM 3354 O O . HOH G 4 213 ? 24.864 12.790 14.954 1.00 15.27 0 A 1 +HETATM 3355 O O . HOH G 4 214 ? 19.222 10.125 22.641 1.00 14.60 0 A 1 +HETATM 3356 O O . HOH G 4 215 ? 17.994 -5.269 27.742 1.00 26.25 0 A 1 +HETATM 3357 O O . HOH G 4 216 ? 14.836 11.499 17.763 1.00 45.60 0 A 1 +HETATM 3358 O O . HOH G 4 217 ? 12.296 -1.485 21.696 1.00 22.48 0 A 1 +HETATM 3359 O O . HOH G 4 218 ? 18.264 -0.347 22.604 1.00 24.01 0 A 1 +HETATM 3360 O O . HOH G 4 219 ? 18.984 -6.819 30.132 1.00 24.49 0 A 1 +HETATM 3361 O O . HOH G 4 220 ? 8.846 0.722 7.703 1.00 38.31 0 A 1 +HETATM 3362 O O . HOH G 4 221 ? 15.392 13.020 31.056 1.00 15.92 0 A 1 +HETATM 3363 O O . HOH G 4 222 ? 32.502 -9.851 15.386 1.00 39.94 0 A 1 +HETATM 3364 O O . HOH G 4 223 ? 15.654 -5.183 22.314 1.00 19.30 0 A 1 +HETATM 3365 O O . HOH G 4 224 ? 20.867 1.758 24.123 1.00 14.59 0 A 1 +HETATM 3366 O O . HOH G 4 225 ? 15.898 12.316 28.420 1.00 22.41 0 A 1 +HETATM 3367 O O . HOH G 4 226 ? 20.408 -5.887 32.343 1.00 22.92 0 A 1 +HETATM 3368 O O . HOH G 4 227 ? 27.482 -9.504 6.105 1.00 28.92 0 A 1 +HETATM 3369 O O . HOH G 4 228 ? 20.742 13.852 12.295 1.00 9.82 0 A 1 +HETATM 3370 O O . HOH G 4 229 ? 11.227 5.784 23.411 1.00 34.16 0 A 1 +HETATM 3371 O O . HOH G 4 230 ? 32.290 -8.743 12.401 1.00 27.08 0 A 1 +HETATM 3372 O O . HOH G 4 231 ? 31.990 11.506 26.647 1.00 12.76 0 A 1 +HETATM 3373 O O . HOH G 4 232 ? 14.962 -2.529 21.860 1.00 18.34 0 A 1 +HETATM 3374 O O . HOH G 4 233 ? 16.967 8.325 7.992 1.00 24.06 0 A 1 +HETATM 3375 O O . HOH G 4 234 ? 15.543 -2.258 33.685 1.00 25.16 0 A 1 +HETATM 3376 O O . HOH G 4 235 ? 17.114 -0.678 35.263 1.00 19.58 0 A 1 +HETATM 3377 O O . HOH G 4 236 ? 8.791 9.465 39.334 1.00 37.60 0 A 1 +HETATM 3378 O O . HOH G 4 237 ? 34.310 14.016 12.452 1.00 12.67 0 A 1 +HETATM 3379 O O . HOH G 4 238 ? 13.969 12.616 26.601 1.00 21.95 0 A 1 +HETATM 3380 O O . HOH G 4 239 ? 10.160 0.310 24.282 1.00 20.56 0 A 1 +HETATM 3381 O O . HOH G 4 240 ? 19.312 2.039 21.582 1.00 18.05 0 A 1 +HETATM 3382 O O . HOH G 4 241 ? 10.029 -8.816 33.060 1.00 39.55 0 A 1 +HETATM 3383 O O . HOH G 4 242 ? 35.056 1.807 16.312 1.00 32.72 0 A 1 +HETATM 3384 O O . HOH G 4 243 ? 13.779 5.993 9.092 1.00 28.71 0 A 1 +HETATM 3385 O O . HOH G 4 244 ? 18.411 4.734 18.522 1.00 18.23 0 A 1 +HETATM 3386 O O . HOH G 4 245 ? 18.955 4.897 21.430 1.00 34.55 0 A 1 +HETATM 3387 O O . HOH G 4 246 ? 12.692 -15.663 2.165 1.00 27.14 0 A 1 +HETATM 3388 O O . HOH G 4 247 ? 9.528 -6.057 17.702 1.00 30.61 0 A 1 +HETATM 3389 O O . HOH G 4 248 ? 27.848 11.658 24.970 1.00 22.35 0 A 1 +HETATM 3390 O O . HOH G 4 249 ? 7.063 -5.964 24.445 1.00 25.56 0 A 1 +HETATM 3391 O O . HOH G 4 250 ? 31.718 -4.759 6.672 1.00 25.20 0 A 1 +HETATM 3392 O O . HOH G 4 251 ? 37.235 5.300 19.246 1.00 28.68 0 A 1 +HETATM 3393 O O . HOH G 4 252 ? 22.335 -4.853 39.078 1.00 31.25 0 A 1 +HETATM 3394 O O . HOH G 4 253 ? 11.924 9.200 12.190 1.00 27.02 0 A 1 +HETATM 3395 O O . HOH G 4 254 ? 22.634 -16.179 22.533 1.00 23.30 0 A 1 +HETATM 3396 O O . HOH G 4 255 ? 23.228 -14.875 19.924 1.00 29.84 0 A 1 +HETATM 3397 O O . HOH G 4 256 ? 16.518 4.011 6.773 1.00 26.05 0 A 1 +HETATM 3398 O O . HOH G 4 257 ? 17.155 11.725 38.434 1.00 29.61 0 A 1 +HETATM 3399 O O . HOH G 4 258 ? 19.367 -6.248 21.908 1.00 41.40 0 A 1 +HETATM 3400 O O . HOH G 4 259 ? 13.105 11.178 13.974 1.00 35.34 0 A 1 +HETATM 3401 O O . HOH G 4 260 ? 23.943 -14.188 3.426 1.00 35.78 0 A 1 +HETATM 3402 O O . HOH G 4 261 ? 18.267 11.003 14.044 1.00 24.26 0 A 1 +HETATM 3403 O O . HOH G 4 262 ? 32.513 -10.999 23.068 1.00 30.58 0 A 1 +HETATM 3404 O O . HOH G 4 263 ? 16.471 -1.866 41.441 1.00 32.83 0 A 1 +HETATM 3405 O O . HOH G 4 264 ? 10.393 2.476 2.672 1.00 43.77 0 A 1 +HETATM 3406 O O . HOH G 4 265 ? 26.084 15.089 36.221 1.00 33.85 0 A 1 +HETATM 3407 O O . HOH G 4 266 ? 11.074 16.591 34.671 1.00 26.74 0 A 1 +HETATM 3408 O O . HOH G 4 267 ? 16.029 -5.074 34.430 1.00 29.28 0 A 1 +HETATM 3409 O O . HOH G 4 268 ? 33.504 14.579 37.879 1.00 37.22 0 A 1 +HETATM 3410 O O . HOH G 4 269 ? 20.015 14.786 37.509 1.00 31.57 0 A 1 +HETATM 3411 O O . HOH G 4 270 ? 9.850 -0.734 0.799 1.00 44.55 0 A 1 +HETATM 3412 O O . HOH G 4 271 ? 18.006 7.436 40.198 1.00 40.60 0 A 1 +HETATM 3413 O O . HOH G 4 272 ? 5.802 14.337 37.928 1.00 47.63 0 A 1 +HETATM 3414 O O . HOH G 4 273 ? 17.859 -6.963 33.405 1.00 37.00 0 A 1 +HETATM 3415 O O . HOH G 4 274 ? 6.322 16.122 35.511 1.00 28.36 0 A 1 +HETATM 3416 O O . HOH G 4 275 ? 11.584 2.588 23.272 1.00 23.29 0 A 1 +HETATM 3417 O O . HOH G 4 276 ? 9.668 -6.831 4.979 1.00 37.46 0 A 1 +HETATM 3418 O O . HOH G 4 277 ? 15.345 -11.632 16.617 1.00 35.47 0 A 1 +HETATM 3419 O O . HOH G 4 278 ? 21.967 9.383 17.161 1.00 11.59 0 A 1 +HETATM 3420 O O . HOH G 4 279 ? 33.769 2.278 6.604 1.00 31.81 0 A 1 +HETATM 3421 O O . HOH G 4 280 ? 12.853 1.052 20.658 1.00 33.35 0 A 1 +HETATM 3422 O O . HOH G 4 281 ? 27.322 -14.924 9.874 1.00 39.84 0 A 1 +HETATM 3423 O O . HOH G 4 282 ? 5.859 4.345 12.095 1.00 46.01 0 A 1 +HETATM 3424 O O . HOH G 4 283 ? 36.569 -0.737 18.630 1.00 34.35 0 A 1 +HETATM 3425 O O . HOH G 4 284 ? 10.770 15.081 27.119 1.00 36.53 0 A 1 +HETATM 3426 O O . HOH G 4 285 ? -1.304 -1.156 7.791 1.00 42.24 0 A 1 +HETATM 3427 O O . HOH G 4 286 ? 12.014 18.258 32.649 1.00 30.71 0 A 1 +HETATM 3428 O O . HOH G 4 287 ? 35.197 -9.125 12.192 1.00 44.56 0 A 1 +HETATM 3429 O O . HOH G 4 288 ? 5.317 -9.782 15.687 1.00 42.83 0 A 1 +HETATM 3430 O O . HOH G 4 289 ? 17.900 -13.931 22.827 1.00 31.70 0 A 1 +HETATM 3431 O O . HOH G 4 290 ? 30.457 1.930 5.937 1.00 34.51 0 A 1 +HETATM 3432 O O . HOH G 4 291 ? 0.159 1.325 24.052 1.00 33.35 0 A 1 +HETATM 3433 O O . HOH G 4 292 ? 27.422 4.747 39.020 1.00 28.33 0 A 1 +HETATM 3434 O O . HOH G 4 293 ? 8.527 -6.033 32.765 1.00 28.41 0 A 1 +HETATM 3435 O O . HOH G 4 294 ? 12.675 -10.466 3.337 1.00 33.14 0 A 1 +HETATM 3436 O O . HOH G 4 295 ? 33.330 5.562 30.933 1.00 28.38 0 A 1 +HETATM 3437 O O . HOH G 4 296 ? 11.028 12.083 23.872 1.00 38.22 0 A 1 +HETATM 3438 O O . HOH G 4 297 ? 37.257 -1.627 32.977 1.00 49.09 0 A 1 +HETATM 3439 O O . HOH G 4 298 ? 36.471 -4.552 17.071 1.00 24.34 0 A 1 +HETATM 3440 O O . HOH G 4 299 ? 3.874 1.565 28.811 1.00 42.87 0 A 1 +HETATM 3441 O O . HOH G 4 300 ? 8.600 7.749 17.971 1.00 29.12 0 A 1 +HETATM 3442 O O . HOH G 4 301 ? 41.584 12.051 12.322 1.00 33.56 0 A 1 +HETATM 3443 O O . HOH G 4 302 ? 31.419 0.293 13.055 1.00 23.07 0 A 1 +HETATM 3444 O O . HOH G 4 303 ? 16.415 9.458 28.524 1.00 17.32 0 A 1 +HETATM 3445 O O . HOH G 4 304 ? 7.037 7.219 26.157 1.00 22.76 0 A 1 +HETATM 3446 O O . HOH H 4 212 ? 13.454 17.756 24.597 1.00 11.01 0 B 1 +HETATM 3447 O O . HOH H 4 213 ? 18.085 19.167 15.835 1.00 20.98 0 B 1 +HETATM 3448 O O . HOH H 4 214 ? 28.073 24.985 25.071 1.00 20.71 0 B 1 +HETATM 3449 O O . HOH H 4 215 ? 8.484 29.206 13.621 1.00 22.56 0 B 1 +HETATM 3450 O O . HOH H 4 216 ? 21.680 22.641 11.177 1.00 20.63 0 B 1 +HETATM 3451 O O . HOH H 4 217 ? 12.796 19.616 26.586 1.00 22.96 0 B 1 +HETATM 3452 O O . HOH H 4 218 ? 23.867 11.810 21.308 1.00 14.20 0 B 1 +HETATM 3453 O O . HOH H 4 219 ? 28.411 23.073 31.892 1.00 38.20 0 B 1 +HETATM 3454 O O . HOH H 4 220 ? 13.508 15.158 25.523 1.00 21.69 0 B 1 +HETATM 3455 O O . HOH H 4 221 ? 32.876 23.696 23.150 1.00 31.35 0 B 1 +HETATM 3456 O O . HOH H 4 222 ? 19.426 29.201 7.021 1.00 29.18 0 B 1 +HETATM 3457 O O . HOH H 4 223 ? 21.360 24.690 -0.419 1.00 18.00 0 B 1 +HETATM 3458 O O . HOH H 4 224 ? 20.012 14.460 5.832 1.00 16.04 0 B 1 +HETATM 3459 O O . HOH H 4 225 ? 36.423 28.055 4.818 1.00 43.31 0 B 1 +HETATM 3460 O O . HOH H 4 226 ? 19.814 10.908 2.980 1.00 28.43 0 B 1 +HETATM 3461 O O . HOH H 4 227 ? 12.712 24.833 10.939 1.00 23.65 0 B 1 +HETATM 3462 O O . HOH H 4 228 ? 19.813 21.921 13.343 1.00 14.31 0 B 1 +HETATM 3463 O O . HOH H 4 229 ? 17.244 11.061 6.881 1.00 12.39 0 B 1 +HETATM 3464 O O . HOH H 4 230 ? 15.170 26.190 11.302 1.00 13.73 0 B 1 +HETATM 3465 O O . HOH H 4 231 ? 11.046 18.004 27.978 1.00 30.85 0 B 1 +HETATM 3466 O O . HOH H 4 232 ? 20.516 31.037 5.021 1.00 25.86 0 B 1 +HETATM 3467 O O . HOH H 4 233 ? 5.351 22.274 23.007 1.00 30.70 0 B 1 +HETATM 3468 O O . HOH H 4 234 ? 21.403 33.860 30.311 1.00 25.27 0 B 1 +HETATM 3469 O O . HOH H 4 235 ? 18.828 24.080 11.817 1.00 23.57 0 B 1 +HETATM 3470 O O . HOH H 4 236 ? 15.756 29.068 11.383 1.00 32.38 0 B 1 +HETATM 3471 O O . HOH H 4 237 ? 4.305 23.672 30.142 1.00 33.02 0 B 1 +HETATM 3472 O O . HOH H 4 238 ? 35.926 20.607 21.381 1.00 34.53 0 B 1 +HETATM 3473 O O . HOH H 4 239 ? 13.712 22.115 11.957 1.00 32.52 0 B 1 +HETATM 3474 O O . HOH H 4 240 ? 35.901 20.117 8.789 1.00 28.22 0 B 1 +HETATM 3475 O O . HOH H 4 241 ? 21.023 40.639 20.260 1.00 39.76 0 B 1 +HETATM 3476 O O . HOH H 4 242 ? 26.051 29.906 31.091 1.00 19.51 0 B 1 +HETATM 3477 O O . HOH H 4 243 ? 5.040 20.399 28.595 1.00 30.69 0 B 1 +HETATM 3478 O O . HOH H 4 244 ? 12.948 20.736 9.025 1.00 32.24 0 B 1 +HETATM 3479 O O . HOH H 4 245 ? 19.519 11.655 5.700 1.00 13.35 0 B 1 +HETATM 3480 O O . HOH H 4 246 ? 21.185 40.432 13.086 1.00 24.15 0 B 1 +HETATM 3481 O O . HOH H 4 247 ? 15.496 27.009 36.045 1.00 38.12 0 B 1 +HETATM 3482 O O . HOH H 4 248 ? 8.232 29.139 7.075 1.00 37.92 0 B 1 +HETATM 3483 O O . HOH H 4 249 ? 23.635 37.390 2.269 1.00 27.76 0 B 1 +HETATM 3484 O O . HOH H 4 250 ? 28.841 37.090 8.825 1.00 33.25 0 B 1 +HETATM 3485 O O . HOH H 4 251 ? 17.405 12.665 20.396 1.00 36.33 0 B 1 +HETATM 3486 O O . HOH H 4 252 ? 21.360 39.448 26.486 1.00 35.67 0 B 1 +HETATM 3487 O O . HOH H 4 253 ? 15.307 5.358 4.523 1.00 41.74 0 B 1 +HETATM 3488 O O . HOH H 4 254 ? 19.157 26.110 0.532 1.00 20.88 0 B 1 +HETATM 3489 O O . HOH H 4 255 ? 29.444 13.529 12.853 1.00 27.96 0 B 1 +HETATM 3490 O O . HOH H 4 256 ? 33.907 30.157 22.715 1.00 35.59 0 B 1 +HETATM 3491 O O . HOH H 4 257 ? 18.367 30.578 13.288 1.00 40.73 0 B 1 +HETATM 3492 O O . HOH H 4 258 ? 10.744 17.520 23.522 1.00 30.43 0 B 1 +HETATM 3493 O O . HOH H 4 259 ? 23.552 12.315 -3.486 1.00 32.43 0 B 1 +HETATM 3494 O O . HOH H 4 260 ? 7.831 27.765 2.466 1.00 57.19 0 B 1 +HETATM 3495 O O . HOH H 4 261 ? -0.154 21.656 8.944 1.00 29.55 0 B 1 +HETATM 3496 O O . HOH H 4 262 ? 32.082 14.883 -1.225 1.00 39.42 0 B 1 +HETATM 3497 O O . HOH H 4 263 ? 15.054 7.963 5.666 1.00 37.56 0 B 1 +HETATM 3498 O O . HOH H 4 264 ? 20.953 39.600 15.834 1.00 42.54 0 B 1 +HETATM 3499 O O . HOH H 4 265 ? 12.952 32.530 -0.873 1.00 26.67 0 B 1 +HETATM 3500 O O . HOH H 4 266 ? 12.340 15.041 11.905 1.00 41.80 0 B 1 +HETATM 3501 O O . HOH H 4 267 ? 19.239 28.961 -0.427 1.00 38.64 0 B 1 +HETATM 3502 O O . HOH H 4 268 ? 32.271 23.932 26.288 1.00 32.90 0 B 1 +HETATM 3503 O O . HOH H 4 269 ? 31.221 36.442 15.893 1.00 36.29 0 B 1 +HETATM 3504 O O . HOH H 4 270 ? 8.747 32.091 35.052 1.00 28.20 0 B 1 +HETATM 3505 O O . HOH H 4 271 ? 17.008 6.889 -1.756 1.00 30.88 0 B 1 +HETATM 3506 O O . HOH H 4 272 ? 22.759 30.393 3.495 1.00 20.28 0 B 1 +HETATM 3507 O O . HOH H 4 273 ? 34.578 26.557 21.290 1.00 34.08 0 B 1 +HETATM 3508 O O . HOH H 4 274 ? 3.412 32.437 13.821 1.00 51.39 0 B 1 +HETATM 3509 O O . HOH H 4 275 ? 11.493 22.916 7.603 1.00 35.42 0 B 1 +HETATM 3510 O O . HOH H 4 276 ? 27.933 38.505 22.492 1.00 34.14 0 B 1 +HETATM 3511 O O . HOH H 4 277 ? 16.161 35.587 13.217 1.00 45.32 0 B 1 +HETATM 3512 O O . HOH H 4 278 ? 38.124 18.161 7.834 1.00 37.78 0 B 1 +HETATM 3513 O O . HOH H 4 279 ? 34.808 11.002 19.084 1.00 46.41 0 B 1 +HETATM 3514 O O . HOH H 4 280 ? 12.943 34.982 16.348 1.00 31.71 0 B 1 +HETATM 3515 O O . HOH H 4 281 ? 33.453 33.293 22.322 1.00 38.86 0 B 1 +HETATM 3516 O O . HOH H 4 282 ? 11.583 34.856 4.214 1.00 45.28 0 B 1 +HETATM 3517 O O . HOH H 4 283 ? 37.564 10.772 22.960 1.00 45.16 0 B 1 +HETATM 3518 O O . HOH H 4 284 ? 26.947 9.801 -1.180 1.00 33.54 0 B 1 +HETATM 3519 O O . HOH H 4 285 ? 28.871 12.308 -3.005 1.00 33.00 0 B 1 +HETATM 3520 O O . HOH H 4 286 ? 21.585 14.640 18.240 1.00 14.49 0 B 1 +HETATM 3521 O O . HOH H 4 287 ? 12.893 16.815 9.297 1.00 40.60 0 B 1 +ATOM 1 N N . PRO A 1 2 ? 30.676 3.060 38.855 1.00 40.30 0 A 2 +ATOM 2 C CA . PRO A 1 2 ? 30.782 2.468 37.511 1.00 33.93 0 A 2 +ATOM 3 C C . PRO A 1 2 ? 29.570 3.000 36.767 1.00 24.70 0 A 2 +ATOM 4 O O . PRO A 1 2 ? 29.260 4.190 36.863 1.00 17.72 0 A 2 +ATOM 5 C CB . PRO A 1 2 ? 30.703 0.967 37.719 1.00 42.93 0 A 2 +ATOM 6 C CG . PRO A 1 2 ? 29.727 0.883 38.893 1.00 45.34 0 A 2 +ATOM 7 C CD . PRO A 1 2 ? 30.154 2.064 39.795 1.00 46.68 0 A 2 +ATOM 8 N N . TYR A 1 3 ? 28.857 2.131 36.069 1.00 20.79 0 A 2 +ATOM 9 C CA . TYR A 1 3 ? 27.691 2.547 35.317 1.00 17.22 0 A 2 +ATOM 10 C C . TYR A 1 3 ? 26.421 2.056 35.953 1.00 14.75 0 A 2 +ATOM 11 O O . TYR A 1 3 ? 26.382 0.991 36.568 1.00 21.91 0 A 2 +ATOM 12 C CB . TYR A 1 3 ? 27.742 2.000 33.906 1.00 15.81 0 A 2 +ATOM 13 C CG . TYR A 1 3 ? 29.009 2.320 33.163 1.00 11.31 0 A 2 +ATOM 14 C CD1 . TYR A 1 3 ? 29.326 3.633 32.827 1.00 9.55 0 A 2 +ATOM 15 C CD2 . TYR A 1 3 ? 29.850 1.299 32.736 1.00 10.62 0 A 2 +ATOM 16 C CE1 . TYR A 1 3 ? 30.451 3.918 32.080 1.00 10.73 0 A 2 +ATOM 17 C CE2 . TYR A 1 3 ? 30.978 1.576 31.988 1.00 15.60 0 A 2 +ATOM 18 C CZ . TYR A 1 3 ? 31.276 2.887 31.661 1.00 18.08 0 A 2 +ATOM 19 O OH . TYR A 1 3 ? 32.415 3.174 30.929 1.00 26.51 0 A 2 +ATOM 20 N N . THR A 1 4 ? 25.355 2.791 35.703 1.00 11.26 0 A 2 +ATOM 21 C CA . THR A 1 4 ? 24.057 2.446 36.222 1.00 16.83 0 A 2 +ATOM 22 C C . THR A 1 4 ? 23.014 2.902 35.218 1.00 18.11 0 A 2 +ATOM 23 O O . THR A 1 4 ? 23.017 4.067 34.799 1.00 13.77 0 A 2 +ATOM 24 C CB . THR A 1 4 ? 23.814 3.161 37.567 1.00 19.14 0 A 2 +ATOM 25 C CG2 . THR A 1 4 ? 22.419 2.832 38.129 1.00 13.24 0 A 2 +ATOM 26 O OG1 . THR A 1 4 ? 24.821 2.747 38.496 1.00 23.80 0 A 2 +ATOM 27 N N . VAL A 1 5 ? 22.192 1.969 34.746 1.00 17.20 0 A 2 +ATOM 28 C CA . VAL A 1 5 ? 21.140 2.354 33.824 1.00 19.45 0 A 2 +ATOM 29 C C . VAL A 1 5 ? 19.805 2.254 34.553 1.00 18.28 0 A 2 +ATOM 30 O O . VAL A 1 5 ? 19.519 1.268 35.228 1.00 18.41 0 A 2 +ATOM 31 C CB . VAL A 1 5 ? 21.167 1.565 32.474 1.00 16.72 0 A 2 +ATOM 32 C CG1 . VAL A 1 5 ? 22.414 0.738 32.346 1.00 7.74 0 A 2 +ATOM 33 C CG2 . VAL A 1 5 ? 19.928 0.766 32.273 1.00 7.61 0 A 2 +ATOM 34 N N . VAL A 1 6 ? 19.057 3.348 34.510 1.00 16.51 0 A 2 +ATOM 35 C CA . VAL A 1 6 ? 17.767 3.444 35.164 1.00 13.04 0 A 2 +ATOM 36 C C . VAL A 1 6 ? 16.720 3.435 34.070 1.00 12.99 0 A 2 +ATOM 37 O O . VAL A 1 6 ? 16.679 4.325 33.221 1.00 12.15 0 A 2 +ATOM 38 C CB . VAL A 1 6 ? 17.675 4.746 35.956 1.00 11.40 0 A 2 +ATOM 39 C CG1 . VAL A 1 6 ? 16.357 4.824 36.694 1.00 5.99 0 A 2 +ATOM 40 C CG2 . VAL A 1 6 ? 18.880 4.857 36.903 1.00 5.71 0 A 2 +ATOM 41 N N . TYR A 1 7 ? 15.865 2.426 34.085 1.00 15.71 0 A 2 +ATOM 42 C CA . TYR A 1 7 ? 14.871 2.299 33.041 1.00 16.80 0 A 2 +ATOM 43 C C . TYR A 1 7 ? 13.748 1.391 33.512 1.00 16.48 0 A 2 +ATOM 44 O O . TYR A 1 7 ? 13.759 0.895 34.647 1.00 16.21 0 A 2 +ATOM 45 C CB . TYR A 1 7 ? 15.560 1.673 31.828 1.00 9.91 0 A 2 +ATOM 46 C CG . TYR A 1 7 ? 14.822 1.787 30.526 1.00 15.33 0 A 2 +ATOM 47 C CD1 . TYR A 1 7 ? 14.496 3.026 29.989 1.00 15.73 0 A 2 +ATOM 48 C CD2 . TYR A 1 7 ? 14.530 0.650 29.775 1.00 11.86 0 A 2 +ATOM 49 C CE1 . TYR A 1 7 ? 13.907 3.133 28.738 1.00 15.11 0 A 2 +ATOM 50 C CE2 . TYR A 1 7 ? 13.942 0.745 28.526 1.00 14.63 0 A 2 +ATOM 51 C CZ . TYR A 1 7 ? 13.634 1.993 28.010 1.00 17.31 0 A 2 +ATOM 52 O OH . TYR A 1 7 ? 13.036 2.091 26.769 1.00 11.41 0 A 2 +ATOM 53 N N . PHE A 1 8 ? 12.756 1.234 32.641 1.00 17.60 0 A 2 +ATOM 54 C CA . PHE A 1 8 ? 11.620 0.355 32.897 1.00 22.06 0 A 2 +ATOM 55 C C . PHE A 1 8 ? 12.057 -1.076 32.576 1.00 17.73 0 A 2 +ATOM 56 O O . PHE A 1 8 ? 13.102 -1.292 31.967 1.00 22.80 0 A 2 +ATOM 57 C CB . PHE A 1 8 ? 10.458 0.732 31.979 1.00 22.75 0 A 2 +ATOM 58 C CG . PHE A 1 8 ? 10.072 2.163 32.063 1.00 23.49 0 A 2 +ATOM 59 C CD1 . PHE A 1 8 ? 9.343 2.633 33.145 1.00 23.87 0 A 2 +ATOM 60 C CD2 . PHE A 1 8 ? 10.447 3.049 31.069 1.00 20.62 0 A 2 +ATOM 61 C CE1 . PHE A 1 8 ? 8.997 3.976 33.240 1.00 29.01 0 A 2 +ATOM 62 C CE2 . PHE A 1 8 ? 10.109 4.388 31.151 1.00 26.13 0 A 2 +ATOM 63 C CZ . PHE A 1 8 ? 9.386 4.858 32.238 1.00 29.47 0 A 2 +ATOM 64 N N . PRO A 1 9 ? 11.257 -2.071 32.960 1.00 19.54 0 A 2 +ATOM 65 C CA . PRO A 1 9 ? 11.657 -3.450 32.667 1.00 19.74 0 A 2 +ATOM 66 C C . PRO A 1 9 ? 11.291 -3.885 31.235 1.00 19.18 0 A 2 +ATOM 67 O O . PRO A 1 9 ? 10.435 -4.755 31.034 1.00 18.62 0 A 2 +ATOM 68 C CB . PRO A 1 9 ? 10.907 -4.249 33.727 1.00 20.12 0 A 2 +ATOM 69 C CG . PRO A 1 9 ? 9.598 -3.489 33.817 1.00 21.71 0 A 2 +ATOM 70 C CD . PRO A 1 9 ? 10.072 -2.040 33.845 1.00 25.50 0 A 2 +ATOM 71 N N . VAL A 1 10 ? 11.918 -3.236 30.255 1.00 19.05 0 A 2 +ATOM 72 C CA . VAL A 1 10 ? 11.712 -3.522 28.833 1.00 16.29 0 A 2 +ATOM 73 C C . VAL A 1 10 ? 13.054 -3.251 28.162 1.00 20.35 0 A 2 +ATOM 74 O O . VAL A 1 10 ? 13.895 -2.538 28.719 1.00 21.82 0 A 2 +ATOM 75 C CB . VAL A 1 10 ? 10.654 -2.588 28.173 1.00 16.76 0 A 2 +ATOM 76 C CG1 . VAL A 1 10 ? 9.370 -2.551 28.985 1.00 18.08 0 A 2 +ATOM 77 C CG2 . VAL A 1 10 ? 11.207 -1.184 28.013 1.00 19.81 0 A 2 +ATOM 78 N N . ARG A 1 11 ? 13.269 -3.823 26.985 1.00 14.81 0 A 2 +ATOM 79 C CA . ARG A 1 11 ? 14.521 -3.594 26.278 1.00 12.30 0 A 2 +ATOM 80 C C . ARG A 1 11 ? 14.499 -2.166 25.750 1.00 14.57 0 A 2 +ATOM 81 O O . ARG A 1 11 ? 15.336 -1.327 26.143 1.00 13.86 0 A 2 +ATOM 82 C CB . ARG A 1 11 ? 14.689 -4.607 25.158 1.00 7.23 0 A 2 +ATOM 83 C CG . ARG A 1 11 ? 14.669 -6.025 25.671 1.00 11.02 0 A 2 +ATOM 84 C CD . ARG A 1 11 ? 14.893 -7.054 24.582 1.00 11.90 0 A 2 +ATOM 85 N NE . ARG A 1 11 ? 14.629 -8.383 25.100 1.00 13.33 0 A 2 +ATOM 86 C CZ . ARG A 1 11 ? 14.268 -9.426 24.359 1.00 18.91 0 A 2 +ATOM 87 N NH1 . ARG A 1 11 ? 14.149 -9.299 23.045 1.00 15.76 0 A 2 +ATOM 88 N NH2 . ARG A 1 11 ? 13.998 -10.590 24.935 1.00 20.85 0 A 2 +ATOM 89 N N . GLY A 1 12 ? 13.513 -1.892 24.897 1.00 15.01 0 A 2 +ATOM 90 C CA . GLY A 1 12 ? 13.338 -0.565 24.325 1.00 11.84 0 A 2 +ATOM 91 C C . GLY A 1 12 ? 14.626 0.166 24.001 1.00 10.99 0 A 2 +ATOM 92 O O . GLY A 1 12 ? 15.570 -0.414 23.461 1.00 5.92 0 A 2 +ATOM 93 N N . ARG A 1 13 ? 14.708 1.409 24.456 1.00 14.50 0 A 2 +ATOM 94 C CA . ARG A 1 13 ? 15.866 2.250 24.178 1.00 14.34 0 A 2 +ATOM 95 C C . ARG A 1 13 ? 17.136 1.951 24.963 1.00 14.90 0 A 2 +ATOM 96 O O . ARG A 1 13 ? 18.112 2.702 24.862 1.00 13.09 0 A 2 +ATOM 97 C CB . ARG A 1 13 ? 15.481 3.722 24.315 1.00 8.69 0 A 2 +ATOM 98 C CG . ARG A 1 13 ? 14.538 4.154 23.234 1.00 6.42 0 A 2 +ATOM 99 C CD . ARG A 1 13 ? 14.260 5.633 23.291 1.00 9.52 0 A 2 +ATOM 100 N NE . ARG A 1 13 ? 13.664 6.134 22.049 1.00 11.58 0 A 2 +ATOM 101 C CZ . ARG A 1 13 ? 14.367 6.528 20.992 1.00 7.79 0 A 2 +ATOM 102 N NH1 . ARG A 1 13 ? 15.690 6.489 21.011 1.00 9.98 0 A 2 +ATOM 103 N NH2 . ARG A 1 13 ? 13.751 6.973 19.909 1.00 13.57 0 A 2 +ATOM 104 N N . CYS A 1 14 ? 17.143 0.870 25.733 1.00 8.01 0 A 2 +ATOM 105 C CA . CYS A 1 14 ? 18.338 0.524 26.489 1.00 10.51 0 A 2 +ATOM 106 C C . CYS A 1 14 ? 19.015 -0.720 25.943 1.00 6.86 0 A 2 +ATOM 107 O O . CYS A 1 14 ? 20.191 -0.961 26.211 1.00 11.77 0 A 2 +ATOM 108 C CB . CYS A 1 14 ? 18.003 0.330 27.963 1.00 10.12 0 A 2 +ATOM 109 S SG . CYS A 1 14 ? 17.488 1.834 28.811 1.00 20.17 0 A 2 +ATOM 110 N N . ALA A 1 15 ? 18.295 -1.463 25.112 1.00 12.16 0 A 2 +ATOM 111 C CA . ALA A 1 15 ? 18.793 -2.703 24.537 1.00 10.59 0 A 2 +ATOM 112 C C . ALA A 1 15 ? 20.169 -2.562 23.908 1.00 13.22 0 A 2 +ATOM 113 O O . ALA A 1 15 ? 21.093 -3.296 24.268 1.00 16.19 0 A 2 +ATOM 114 C CB . ALA A 1 15 ? 17.811 -3.231 23.523 1.00 11.84 0 A 2 +ATOM 115 N N . ALA A 1 16 ? 20.320 -1.581 23.025 1.00 10.66 0 A 2 +ATOM 116 C CA . ALA A 1 16 ? 21.593 -1.372 22.349 1.00 10.55 0 A 2 +ATOM 117 C C . ALA A 1 16 ? 22.722 -1.100 23.314 1.00 11.77 0 A 2 +ATOM 118 O O . ALA A 1 16 ? 23.689 -1.866 23.368 1.00 13.30 0 A 2 +ATOM 119 C CB . ALA A 1 16 ? 21.494 -0.251 21.342 1.00 7.90 0 A 2 +ATOM 120 N N . LEU A 1 17 ? 22.563 -0.072 24.148 1.00 13.79 0 A 2 +ATOM 121 C CA . LEU A 1 17 ? 23.630 0.316 25.080 1.00 15.76 0 A 2 +ATOM 122 C C . LEU A 1 17 ? 23.993 -0.821 26.028 1.00 15.63 0 A 2 +ATOM 123 O O . LEU A 1 17 ? 25.119 -0.879 26.528 1.00 14.09 0 A 2 +ATOM 124 C CB . LEU A 1 17 ? 23.254 1.598 25.851 1.00 18.31 0 A 2 +ATOM 125 C CG . LEU A 1 17 ? 22.063 1.607 26.810 1.00 15.06 0 A 2 +ATOM 126 C CD1 . LEU A 1 17 ? 22.551 1.330 28.208 1.00 7.81 0 A 2 +ATOM 127 C CD2 . LEU A 1 17 ? 21.345 2.946 26.780 1.00 11.06 0 A 2 +ATOM 128 N N . ARG A 1 18 ? 23.032 -1.700 26.300 1.00 12.95 0 A 2 +ATOM 129 C CA . ARG A 1 18 ? 23.276 -2.843 27.167 1.00 9.44 0 A 2 +ATOM 130 C C . ARG A 1 18 ? 24.141 -3.819 26.398 1.00 14.72 0 A 2 +ATOM 131 O O . ARG A 1 18 ? 25.110 -4.371 26.946 1.00 19.95 0 A 2 +ATOM 132 C CB . ARG A 1 18 ? 21.970 -3.499 27.566 1.00 3.62 0 A 2 +ATOM 133 C CG . ARG A 1 18 ? 21.210 -2.700 28.566 1.00 4.59 0 A 2 +ATOM 134 C CD . ARG A 1 18 ? 19.842 -3.250 28.714 1.00 6.07 0 A 2 +ATOM 135 N NE . ARG A 1 18 ? 19.182 -2.728 29.899 1.00 9.44 0 A 2 +ATOM 136 C CZ . ARG A 1 18 ? 17.871 -2.551 29.991 1.00 10.49 0 A 2 +ATOM 137 N NH1 . ARG A 1 18 ? 17.081 -2.841 28.965 1.00 11.64 0 A 2 +ATOM 138 N NH2 . ARG A 1 18 ? 17.344 -2.139 31.128 1.00 12.21 0 A 2 +ATOM 139 N N . MET A 1 19 ? 23.828 -4.008 25.121 1.00 15.59 0 A 2 +ATOM 140 C CA . MET A 1 19 ? 24.599 -4.920 24.290 1.00 9.53 0 A 2 +ATOM 141 C C . MET A 1 19 ? 26.031 -4.458 24.284 1.00 13.51 0 A 2 +ATOM 142 O O . MET A 1 19 ? 26.951 -5.257 24.489 1.00 17.53 0 A 2 +ATOM 143 C CB . MET A 1 19 ? 24.050 -4.967 22.856 1.00 6.12 0 A 2 +ATOM 144 C CG . MET A 1 19 ? 22.649 -5.528 22.778 1.00 14.48 0 A 2 +ATOM 145 S SD . MET A 1 19 ? 22.163 -5.925 21.113 1.00 21.44 0 A 2 +ATOM 146 C CE . MET A 1 19 ? 21.999 -4.378 20.482 1.00 21.58 0 A 2 +ATOM 147 N N . LEU A 1 20 ? 26.207 -3.151 24.121 1.00 14.94 0 A 2 +ATOM 148 C CA . LEU A 1 20 ? 27.530 -2.531 24.065 1.00 13.85 0 A 2 +ATOM 149 C C . LEU A 1 20 ? 28.329 -2.849 25.323 1.00 14.37 0 A 2 +ATOM 150 O O . LEU A 1 20 ? 29.418 -3.426 25.246 1.00 19.83 0 A 2 +ATOM 151 C CB . LEU A 1 20 ? 27.410 -1.007 23.866 1.00 6.31 0 A 2 +ATOM 152 C CG . LEU A 1 20 ? 28.674 -0.170 23.637 1.00 7.04 0 A 2 +ATOM 153 C CD1 . LEU A 1 20 ? 28.290 1.127 22.918 1.00 6.73 0 A 2 +ATOM 154 C CD2 . LEU A 1 20 ? 29.392 0.149 24.952 1.00 2.64 0 A 2 +ATOM 155 N N . LEU A 1 21 ? 27.789 -2.460 26.473 1.00 15.44 0 A 2 +ATOM 156 C CA . LEU A 1 21 ? 28.454 -2.679 27.753 1.00 17.44 0 A 2 +ATOM 157 C C . LEU A 1 21 ? 28.870 -4.126 27.918 1.00 19.16 0 A 2 +ATOM 158 O O . LEU A 1 21 ? 30.035 -4.417 28.191 1.00 21.14 0 A 2 +ATOM 159 C CB . LEU A 1 21 ? 27.521 -2.271 28.888 1.00 12.85 0 A 2 +ATOM 160 C CG . LEU A 1 21 ? 27.336 -0.758 28.959 1.00 11.49 0 A 2 +ATOM 161 C CD1 . LEU A 1 21 ? 26.172 -0.386 29.843 1.00 17.36 0 A 2 +ATOM 162 C CD2 . LEU A 1 21 ? 28.618 -0.146 29.481 1.00 12.50 0 A 2 +ATOM 163 N N . ALA A 1 22 ? 27.916 -5.023 27.705 1.00 19.03 0 A 2 +ATOM 164 C CA . ALA A 1 22 ? 28.153 -6.451 27.832 1.00 22.56 0 A 2 +ATOM 165 C C . ALA A 1 22 ? 29.286 -6.885 26.915 1.00 20.63 0 A 2 +ATOM 166 O O . ALA A 1 22 ? 30.286 -7.444 27.368 1.00 23.57 0 A 2 +ATOM 167 C CB . ALA A 1 22 ? 26.883 -7.212 27.498 1.00 20.00 0 A 2 +ATOM 168 N N . ASP A 1 23 ? 29.153 -6.564 25.634 1.00 17.90 0 A 2 +ATOM 169 C CA . ASP A 1 23 ? 30.147 -6.921 24.639 1.00 14.29 0 A 2 +ATOM 170 C C . ASP A 1 23 ? 31.512 -6.335 24.972 1.00 18.12 0 A 2 +ATOM 171 O O . ASP A 1 23 ? 32.538 -6.965 24.705 1.00 19.17 0 A 2 +ATOM 172 C CB . ASP A 1 23 ? 29.733 -6.460 23.241 1.00 20.25 0 A 2 +ATOM 173 C CG . ASP A 1 23 ? 30.432 -7.253 22.120 1.00 24.17 0 A 2 +ATOM 174 O OD1 . ASP A 1 23 ? 30.604 -8.482 22.271 1.00 27.18 0 A 2 +ATOM 175 O OD2 . ASP A 1 23 ? 30.793 -6.657 21.081 1.00 20.09 0 A 2 +ATOM 176 N N . GLN A 1 24 ? 31.532 -5.142 25.569 1.00 23.01 0 A 2 +ATOM 177 C CA . GLN A 1 24 ? 32.801 -4.499 25.913 1.00 20.04 0 A 2 +ATOM 178 C C . GLN A 1 24 ? 33.354 -4.965 27.242 1.00 13.67 0 A 2 +ATOM 179 O O . GLN A 1 24 ? 34.370 -4.455 27.696 1.00 25.20 0 A 2 +ATOM 180 C CB . GLN A 1 24 ? 32.673 -2.975 25.874 1.00 19.61 0 A 2 +ATOM 181 C CG . GLN A 1 24 ? 32.477 -2.409 24.459 1.00 17.00 0 A 2 +ATOM 182 C CD . GLN A 1 24 ? 33.562 -2.853 23.480 1.00 20.65 0 A 2 +ATOM 183 N NE2 . GLN A 1 24 ? 34.825 -2.705 23.876 1.00 15.36 0 A 2 +ATOM 184 O OE1 . GLN A 1 24 ? 33.264 -3.310 22.370 1.00 16.56 0 A 2 +ATOM 185 N N . GLY A 1 25 ? 32.695 -5.950 27.845 1.00 13.69 0 A 2 +ATOM 186 C CA . GLY A 1 25 ? 33.144 -6.489 29.116 1.00 19.04 0 A 2 +ATOM 187 C C . GLY A 1 25 ? 32.960 -5.519 30.266 1.00 23.40 0 A 2 +ATOM 188 O O . GLY A 1 25 ? 33.659 -5.594 31.269 1.00 22.15 0 A 2 +ATOM 189 N N . GLN A 1 26 ? 32.028 -4.591 30.110 1.00 22.37 0 A 2 +ATOM 190 C CA . GLN A 1 26 ? 31.774 -3.604 31.135 1.00 22.39 0 A 2 +ATOM 191 C C . GLN A 1 26 ? 30.735 -4.075 32.140 1.00 23.82 0 A 2 +ATOM 192 O O . GLN A 1 26 ? 29.867 -4.883 31.811 1.00 27.13 0 A 2 +ATOM 193 C CB . GLN A 1 26 ? 31.349 -2.281 30.485 1.00 22.15 0 A 2 +ATOM 194 C CG . GLN A 1 26 ? 32.391 -1.685 29.533 1.00 24.58 0 A 2 +ATOM 195 C CD . GLN A 1 26 ? 33.729 -1.416 30.211 1.00 25.38 0 A 2 +ATOM 196 N NE2 . GLN A 1 26 ? 34.807 -1.526 29.448 1.00 26.76 0 A 2 +ATOM 197 O OE1 . GLN A 1 26 ? 33.796 -1.132 31.406 1.00 28.09 0 A 2 +ATOM 198 N N . SER A 1 27 ? 30.815 -3.567 33.365 1.00 25.17 0 A 2 +ATOM 199 C CA . SER A 1 27 ? 29.876 -3.938 34.419 1.00 25.84 0 A 2 +ATOM 200 C C . SER A 1 27 ? 28.944 -2.774 34.708 1.00 22.71 0 A 2 +ATOM 201 O O . SER A 1 27 ? 29.385 -1.630 34.750 1.00 21.89 0 A 2 +ATOM 202 C CB . SER A 1 27 ? 30.632 -4.293 35.710 1.00 30.59 0 A 2 +ATOM 203 O OG . SER A 1 27 ? 31.296 -5.546 35.618 1.00 38.10 0 A 2 +ATOM 204 N N . TRP A 1 28 ? 27.670 -3.068 34.950 1.00 19.21 0 A 2 +ATOM 205 C CA . TRP A 1 28 ? 26.723 -2.007 35.254 1.00 19.94 0 A 2 +ATOM 206 C C . TRP A 1 28 ? 25.589 -2.456 36.170 1.00 17.58 0 A 2 +ATOM 207 O O . TRP A 1 28 ? 25.263 -3.630 36.252 1.00 22.16 0 A 2 +ATOM 208 C CB . TRP A 1 28 ? 26.166 -1.385 33.967 1.00 14.32 0 A 2 +ATOM 209 C CG . TRP A 1 28 ? 25.181 -2.240 33.250 1.00 16.19 0 A 2 +ATOM 210 C CD1 . TRP A 1 28 ? 23.819 -2.122 33.279 1.00 14.18 0 A 2 +ATOM 211 C CD2 . TRP A 1 28 ? 25.472 -3.303 32.337 1.00 15.51 0 A 2 +ATOM 212 C CE2 . TRP A 1 28 ? 24.240 -3.779 31.838 1.00 13.32 0 A 2 +ATOM 213 C CE3 . TRP A 1 28 ? 26.656 -3.908 31.891 1.00 12.70 0 A 2 +ATOM 214 N NE1 . TRP A 1 28 ? 23.247 -3.034 32.430 1.00 14.87 0 A 2 +ATOM 215 C CZ2 . TRP A 1 28 ? 24.156 -4.816 30.912 1.00 12.28 0 A 2 +ATOM 216 C CZ3 . TRP A 1 28 ? 26.571 -4.942 30.975 1.00 14.88 0 A 2 +ATOM 217 C CH2 . TRP A 1 28 ? 25.328 -5.386 30.496 1.00 14.09 0 A 2 +ATOM 218 N N . LYS A 1 29 ? 24.997 -1.498 36.858 1.00 18.25 0 A 2 +ATOM 219 C CA . LYS A 1 29 ? 23.906 -1.756 37.772 1.00 22.72 0 A 2 +ATOM 220 C C . LYS A 1 29 ? 22.605 -1.383 37.075 1.00 26.40 0 A 2 +ATOM 221 O O . LYS A 1 29 ? 22.528 -0.382 36.346 1.00 23.28 0 A 2 +ATOM 222 C CB . LYS A 1 29 ? 24.107 -0.903 39.032 1.00 30.34 0 A 2 +ATOM 223 C CG . LYS A 1 29 ? 22.853 -0.556 39.818 1.00 43.32 0 A 2 +ATOM 224 C CD . LYS A 1 29 ? 22.448 -1.642 40.793 1.00 54.54 0 A 2 +ATOM 225 C CE . LYS A 1 29 ? 21.198 -1.213 41.544 1.00 60.40 0 A 2 +ATOM 226 N NZ . LYS A 1 29 ? 21.363 0.125 42.204 1.00 63.78 0 A 2 +ATOM 227 N N . GLU A 1 30 ? 21.583 -2.202 37.291 1.00 28.16 0 A 2 +ATOM 228 C CA . GLU A 1 30 ? 20.282 -1.965 36.693 1.00 21.35 0 A 2 +ATOM 229 C C . GLU A 1 30 ? 19.275 -1.483 37.726 1.00 25.95 0 A 2 +ATOM 230 O O . GLU A 1 30 ? 18.927 -2.212 38.659 1.00 27.35 0 A 2 +ATOM 231 C CB . GLU A 1 30 ? 19.752 -3.244 36.042 1.00 21.62 0 A 2 +ATOM 232 C CG . GLU A 1 30 ? 20.437 -3.642 34.743 1.00 22.40 0 A 2 +ATOM 233 C CD . GLU A 1 30 ? 19.924 -2.877 33.530 1.00 19.47 0 A 2 +ATOM 234 O OE1 . GLU A 1 30 ? 19.174 -1.899 33.691 1.00 23.49 0 A 2 +ATOM 235 O OE2 . GLU A 1 30 ? 20.279 -3.261 32.405 1.00 23.95 0 A 2 +ATOM 236 N N . GLU A 1 31 ? 18.828 -0.245 37.577 1.00 27.33 0 A 2 +ATOM 237 C CA . GLU A 1 31 ? 17.820 0.320 38.456 1.00 27.44 0 A 2 +ATOM 238 C C . GLU A 1 31 ? 16.506 0.185 37.705 1.00 26.43 0 A 2 +ATOM 239 O O . GLU A 1 31 ? 16.270 0.888 36.728 1.00 26.83 0 A 2 +ATOM 240 C CB . GLU A 1 31 ? 18.117 1.788 38.749 1.00 34.21 0 A 2 +ATOM 241 C CG . GLU A 1 31 ? 19.150 1.983 39.832 1.00 45.46 0 A 2 +ATOM 242 C CD . GLU A 1 31 ? 18.572 1.790 41.208 1.00 52.18 0 A 2 +ATOM 243 O OE1 . GLU A 1 31 ? 18.210 0.648 41.572 1.00 58.42 0 A 2 +ATOM 244 O OE2 . GLU A 1 31 ? 18.473 2.800 41.931 1.00 63.82 0 A 2 +ATOM 245 N N . VAL A 1 32 ? 15.693 -0.773 38.128 1.00 27.52 0 A 2 +ATOM 246 C CA . VAL A 1 32 ? 14.415 -1.043 37.495 1.00 27.08 0 A 2 +ATOM 247 C C . VAL A 1 32 ? 13.345 -0.124 38.049 1.00 31.93 0 A 2 +ATOM 248 O O . VAL A 1 32 ? 13.180 -0.014 39.263 1.00 33.19 0 A 2 +ATOM 249 C CB . VAL A 1 32 ? 13.991 -2.508 37.718 1.00 26.16 0 A 2 +ATOM 250 C CG1 . VAL A 1 32 ? 12.662 -2.787 37.036 1.00 17.94 0 A 2 +ATOM 251 C CG2 . VAL A 1 32 ? 15.074 -3.442 37.197 1.00 18.82 0 A 2 +ATOM 252 N N . VAL A 1 33 ? 12.622 0.534 37.146 1.00 30.78 0 A 2 +ATOM 253 C CA . VAL A 1 33 ? 11.555 1.453 37.512 1.00 27.34 0 A 2 +ATOM 254 C C . VAL A 1 33 ? 10.234 0.837 37.061 1.00 29.88 0 A 2 +ATOM 255 O O . VAL A 1 33 ? 10.108 0.398 35.921 1.00 30.38 0 A 2 +ATOM 256 C CB . VAL A 1 33 ? 11.772 2.828 36.841 1.00 24.70 0 A 2 +ATOM 257 C CG1 . VAL A 1 33 ? 10.655 3.788 37.182 1.00 19.75 0 A 2 +ATOM 258 C CG2 . VAL A 1 33 ? 13.101 3.407 37.276 1.00 23.49 0 A 2 +ATOM 259 N N . THR A 1 34 ? 9.282 0.723 37.983 1.00 33.84 0 A 2 +ATOM 260 C CA . THR A 1 34 ? 7.981 0.158 37.655 1.00 38.76 0 A 2 +ATOM 261 C C . THR A 1 34 ? 6.976 1.246 37.340 1.00 38.33 0 A 2 +ATOM 262 O O . THR A 1 34 ? 7.147 2.392 37.755 1.00 34.11 0 A 2 +ATOM 263 C CB . THR A 1 34 ? 7.418 -0.662 38.809 1.00 40.00 0 A 2 +ATOM 264 C CG2 . THR A 1 34 ? 8.190 -1.950 38.966 1.00 43.99 0 A 2 +ATOM 265 O OG1 . THR A 1 34 ? 7.485 0.105 40.017 1.00 47.23 0 A 2 +ATOM 266 N N . VAL A 1 35 ? 5.882 0.860 36.689 1.00 44.47 0 A 2 +ATOM 267 C CA . VAL A 1 35 ? 4.839 1.799 36.310 1.00 51.24 0 A 2 +ATOM 268 C C . VAL A 1 35 ? 4.327 2.565 37.525 1.00 52.85 0 A 2 +ATOM 269 O O . VAL A 1 35 ? 4.057 3.762 37.440 1.00 49.57 0 A 2 +ATOM 270 C CB . VAL A 1 35 ? 3.671 1.089 35.567 1.00 54.76 0 A 2 +ATOM 271 C CG1 . VAL A 1 35 ? 2.826 0.257 36.530 1.00 56.65 0 A 2 +ATOM 272 C CG2 . VAL A 1 35 ? 2.827 2.099 34.803 1.00 59.30 0 A 2 +ATOM 273 N N . GLU A 1 36 ? 4.263 1.884 38.666 1.00 55.74 0 A 2 +ATOM 274 C CA . GLU A 1 36 ? 3.797 2.504 39.900 1.00 59.48 0 A 2 +ATOM 275 C C . GLU A 1 36 ? 4.764 3.596 40.345 1.00 56.13 0 A 2 +ATOM 276 O O . GLU A 1 36 ? 4.356 4.732 40.606 1.00 56.46 0 A 2 +ATOM 277 C CB . GLU A 1 36 ? 3.649 1.464 41.016 1.00 67.77 0 A 2 +ATOM 278 C CG . GLU A 1 36 ? 2.699 0.313 40.690 1.00 76.47 0 A 2 +ATOM 279 C CD . GLU A 1 36 ? 3.429 -0.968 40.323 1.00 82.46 0 A 2 +ATOM 280 O OE1 . GLU A 1 36 ? 4.230 -1.458 41.153 1.00 85.41 0 A 2 +ATOM 281 O OE2 . GLU A 1 36 ? 3.194 -1.498 39.212 1.00 85.68 0 A 2 +ATOM 282 N N . THR A 1 37 ? 6.048 3.250 40.390 1.00 51.46 0 A 2 +ATOM 283 C CA . THR A 1 37 ? 7.093 4.186 40.793 1.00 45.60 0 A 2 +ATOM 284 C C . THR A 1 37 ? 7.118 5.409 39.878 1.00 44.79 0 A 2 +ATOM 285 O O . THR A 1 37 ? 7.339 6.538 40.329 1.00 45.62 0 A 2 +ATOM 286 C CB . THR A 1 37 ? 8.465 3.505 40.758 1.00 44.50 0 A 2 +ATOM 287 C CG2 . THR A 1 37 ? 9.534 4.403 41.367 1.00 37.84 0 A 2 +ATOM 288 O OG1 . THR A 1 37 ? 8.397 2.276 41.489 1.00 41.82 0 A 2 +ATOM 289 N N . TRP A 1 38 ? 6.853 5.189 38.593 1.00 40.28 0 A 2 +ATOM 290 C CA . TRP A 1 38 ? 6.855 6.275 37.631 1.00 40.08 0 A 2 +ATOM 291 C C . TRP A 1 38 ? 5.622 7.151 37.807 1.00 47.98 0 A 2 +ATOM 292 O O . TRP A 1 38 ? 5.727 8.379 37.875 1.00 49.08 0 A 2 +ATOM 293 C CB . TRP A 1 38 ? 6.886 5.728 36.208 1.00 31.25 0 A 2 +ATOM 294 C CG . TRP A 1 38 ? 7.145 6.781 35.165 1.00 30.98 0 A 2 +ATOM 295 C CD1 . TRP A 1 38 ? 6.293 7.190 34.169 1.00 30.41 0 A 2 +ATOM 296 C CD2 . TRP A 1 38 ? 8.358 7.527 34.985 1.00 26.47 0 A 2 +ATOM 297 C CE2 . TRP A 1 38 ? 8.167 8.362 33.860 1.00 26.96 0 A 2 +ATOM 298 C CE3 . TRP A 1 38 ? 9.584 7.564 35.664 1.00 22.72 0 A 2 +ATOM 299 N NE1 . TRP A 1 38 ? 6.904 8.136 33.385 1.00 28.08 0 A 2 +ATOM 300 C CZ2 . TRP A 1 38 ? 9.168 9.229 33.397 1.00 20.94 0 A 2 +ATOM 301 C CZ3 . TRP A 1 38 ? 10.577 8.424 35.199 1.00 20.39 0 A 2 +ATOM 302 C CH2 . TRP A 1 38 ? 10.360 9.245 34.075 1.00 19.14 0 A 2 +ATOM 303 N N . GLN A 1 39 ? 4.458 6.519 37.923 1.00 52.93 0 A 2 +ATOM 304 C CA . GLN A 1 39 ? 3.213 7.255 38.069 1.00 54.31 0 A 2 +ATOM 305 C C . GLN A 1 39 ? 3.129 8.022 39.378 1.00 55.37 0 A 2 +ATOM 306 O O . GLN A 1 39 ? 2.162 8.734 39.628 1.00 58.81 0 A 2 +ATOM 307 C CB . GLN A 1 39 ? 2.015 6.330 37.863 1.00 53.82 0 A 2 +ATOM 308 C CG . GLN A 1 39 ? 1.892 5.834 36.423 1.00 57.70 0 A 2 +ATOM 309 C CD . GLN A 1 39 ? 0.796 4.801 36.241 1.00 62.90 0 A 2 +ATOM 310 N NE2 . GLN A 1 39 ? 0.366 4.611 34.998 1.00 61.57 0 A 2 +ATOM 311 O OE1 . GLN A 1 39 ? 0.350 4.174 37.202 1.00 64.12 0 A 2 +ATOM 312 N N . GLU A 1 40 ? 4.154 7.885 40.211 1.00 55.83 0 A 2 +ATOM 313 C CA . GLU A 1 40 ? 4.201 8.606 41.469 1.00 56.23 0 A 2 +ATOM 314 C C . GLU A 1 40 ? 4.674 10.037 41.189 1.00 55.90 0 A 2 +ATOM 315 O O . GLU A 1 40 ? 4.480 10.943 42.000 1.00 57.28 0 A 2 +ATOM 316 C CB . GLU A 1 40 ? 5.134 7.896 42.442 1.00 54.56 0 A 2 +ATOM 317 C CG . GLU A 1 40 ? 5.069 8.429 43.844 1.00 56.26 0 A 2 +ATOM 318 C CD . GLU A 1 40 ? 6.253 9.297 44.183 1.00 59.52 0 A 2 +ATOM 319 O OE1 . GLU A 1 40 ? 7.318 8.730 44.506 1.00 63.51 0 A 2 +ATOM 320 O OE2 . GLU A 1 40 ? 6.121 10.539 44.140 1.00 64.99 0 A 2 +ATOM 321 N N . GLY A 1 41 ? 5.332 10.216 40.045 1.00 53.72 0 A 2 +ATOM 322 C CA . GLY A 1 41 ? 5.802 11.526 39.628 1.00 50.20 0 A 2 +ATOM 323 C C . GLY A 1 41 ? 7.149 12.031 40.108 1.00 47.39 0 A 2 +ATOM 324 O O . GLY A 1 41 ? 7.797 12.822 39.414 1.00 47.83 0 A 2 +ATOM 325 N N . SER A 1 42 ? 7.598 11.563 41.264 1.00 47.38 0 A 2 +ATOM 326 C CA . SER A 1 42 ? 8.871 11.999 41.833 1.00 48.92 0 A 2 +ATOM 327 C C . SER A 1 42 ? 10.085 11.868 40.913 1.00 44.77 0 A 2 +ATOM 328 O O . SER A 1 42 ? 10.810 12.837 40.689 1.00 45.99 0 A 2 +ATOM 329 C CB . SER A 1 42 ? 9.139 11.241 43.126 1.00 52.32 0 A 2 +ATOM 330 O OG . SER A 1 42 ? 9.008 9.848 42.902 1.00 58.12 0 A 2 +ATOM 331 N N . LEU A 1 43 ? 10.319 10.663 40.409 1.00 42.84 0 A 2 +ATOM 332 C CA . LEU A 1 43 ? 11.459 10.427 39.532 1.00 39.02 0 A 2 +ATOM 333 C C . LEU A 1 43 ? 11.281 11.157 38.208 1.00 32.41 0 A 2 +ATOM 334 O O . LEU A 1 43 ? 12.217 11.764 37.705 1.00 32.28 0 A 2 +ATOM 335 C CB . LEU A 1 43 ? 11.660 8.922 39.308 1.00 40.03 0 A 2 +ATOM 336 C CG . LEU A 1 43 ? 13.045 8.398 38.878 1.00 41.34 0 A 2 +ATOM 337 C CD1 . LEU A 1 43 ? 13.219 8.461 37.382 1.00 42.89 0 A 2 +ATOM 338 C CD2 . LEU A 1 43 ? 14.155 9.146 39.597 1.00 40.07 0 A 2 +ATOM 339 N N . LYS A 1 44 ? 10.059 11.154 37.685 1.00 27.63 0 A 2 +ATOM 340 C CA . LYS A 1 44 ? 9.766 11.818 36.425 1.00 31.13 0 A 2 +ATOM 341 C C . LYS A 1 44 ? 10.171 13.296 36.477 1.00 32.68 0 A 2 +ATOM 342 O O . LYS A 1 44 ? 10.774 13.808 35.542 1.00 26.79 0 A 2 +ATOM 343 C CB . LYS A 1 44 ? 8.275 11.715 36.088 1.00 29.67 0 A 2 +ATOM 344 C CG . LYS A 1 44 ? 7.945 12.209 34.676 1.00 31.53 0 A 2 +ATOM 345 C CD . LYS A 1 44 ? 6.496 11.997 34.290 1.00 27.37 0 A 2 +ATOM 346 C CE . LYS A 1 44 ? 6.362 11.814 32.785 1.00 34.09 0 A 2 +ATOM 347 N NZ . LYS A 1 44 ? 6.949 12.901 31.966 1.00 23.30 0 A 2 +ATOM 348 N N . ALA A 1 45 ? 9.843 13.962 37.582 1.00 35.90 0 A 2 +ATOM 349 C CA . ALA A 1 45 ? 10.166 15.374 37.754 1.00 34.20 0 A 2 +ATOM 350 C C . ALA A 1 45 ? 11.662 15.633 37.819 1.00 31.91 0 A 2 +ATOM 351 O O . ALA A 1 45 ? 12.127 16.678 37.370 1.00 35.00 0 A 2 +ATOM 352 C CB . ALA A 1 45 ? 9.484 15.923 39.003 1.00 39.21 0 A 2 +ATOM 353 N N . SER A 1 46 ? 12.410 14.697 38.394 1.00 30.04 0 A 2 +ATOM 354 C CA . SER A 1 46 ? 13.853 14.864 38.514 1.00 26.69 0 A 2 +ATOM 355 C C . SER A 1 46 ? 14.596 14.600 37.198 1.00 21.42 0 A 2 +ATOM 356 O O . SER A 1 46 ? 15.795 14.843 37.102 1.00 19.15 0 A 2 +ATOM 357 C CB . SER A 1 46 ? 14.396 13.961 39.625 1.00 24.78 0 A 2 +ATOM 358 O OG . SER A 1 46 ? 14.048 12.617 39.385 1.00 30.49 0 A 2 +ATOM 359 N N . CYS A 1 47 ? 13.897 14.060 36.209 1.00 17.89 0 A 2 +ATOM 360 C CA . CYS A 1 47 ? 14.497 13.773 34.914 1.00 18.12 0 A 2 +ATOM 361 C C . CYS A 1 47 ? 14.474 15.020 34.037 1.00 24.60 0 A 2 +ATOM 362 O O . CYS A 1 47 ? 13.420 15.634 33.847 1.00 18.53 0 A 2 +ATOM 363 C CB . CYS A 1 47 ? 13.742 12.645 34.213 1.00 22.03 0 A 2 +ATOM 364 S SG . CYS A 1 47 ? 13.943 11.038 34.998 1.00 18.70 0 A 2 +ATOM 365 N N . LEU A 1 48 ? 15.615 15.337 33.428 1.00 24.40 0 A 2 +ATOM 366 C CA . LEU A 1 48 ? 15.758 16.524 32.579 1.00 23.56 0 A 2 +ATOM 367 C C . LEU A 1 48 ? 14.618 16.765 31.587 1.00 27.30 0 A 2 +ATOM 368 O O . LEU A 1 48 ? 14.126 17.880 31.457 1.00 22.64 0 A 2 +ATOM 369 C CB . LEU A 1 48 ? 17.073 16.486 31.825 1.00 21.53 0 A 2 +ATOM 370 C CG . LEU A 1 48 ? 17.375 17.759 31.040 1.00 22.09 0 A 2 +ATOM 371 C CD1 . LEU A 1 48 ? 17.524 18.959 31.991 1.00 17.28 0 A 2 +ATOM 372 C CD2 . LEU A 1 48 ? 18.643 17.532 30.242 1.00 20.84 0 A 2 +ATOM 373 N N . TYR A 1 49 ? 14.259 15.718 30.846 1.00 27.07 0 A 2 +ATOM 374 C CA . TYR A 1 49 ? 13.172 15.781 29.875 1.00 19.61 0 A 2 +ATOM 375 C C . TYR A 1 49 ? 11.978 14.917 30.350 1.00 22.54 0 A 2 +ATOM 376 O O . TYR A 1 49 ? 11.180 14.455 29.536 1.00 25.71 0 A 2 +ATOM 377 C CB . TYR A 1 49 ? 13.698 15.325 28.503 1.00 11.29 0 A 2 +ATOM 378 C CG . TYR A 1 49 ? 14.892 16.127 27.943 1.00 14.21 0 A 2 +ATOM 379 C CD1 . TYR A 1 49 ? 14.742 17.456 27.489 1.00 13.87 0 A 2 +ATOM 380 C CD2 . TYR A 1 49 ? 16.175 15.565 27.860 1.00 8.76 0 A 2 +ATOM 381 C CE1 . TYR A 1 49 ? 15.839 18.182 26.975 1.00 16.10 0 A 2 +ATOM 382 C CE2 . TYR A 1 49 ? 17.272 16.288 27.346 1.00 12.58 0 A 2 +ATOM 383 C CZ . TYR A 1 49 ? 17.087 17.593 26.925 1.00 17.84 0 A 2 +ATOM 384 O OH . TYR A 1 49 ? 18.139 18.375 26.541 1.00 23.88 0 A 2 +ATOM 385 N N . GLY A 1 50 ? 11.859 14.722 31.665 1.00 23.21 0 A 2 +ATOM 386 C CA . GLY A 1 50 ? 10.779 13.927 32.246 1.00 24.88 0 A 2 +ATOM 387 C C . GLY A 1 50 ? 10.659 12.509 31.695 1.00 25.30 0 A 2 +ATOM 388 O O . GLY A 1 50 ? 9.566 11.925 31.656 1.00 24.60 0 A 2 +ATOM 389 N N . GLN A 1 51 ? 11.782 11.949 31.255 1.00 23.03 0 A 2 +ATOM 390 C CA . GLN A 1 51 ? 11.777 10.627 30.675 1.00 20.94 0 A 2 +ATOM 391 C C . GLN A 1 51 ? 13.015 9.789 30.980 1.00 20.93 0 A 2 +ATOM 392 O O . GLN A 1 51 ? 14.041 10.310 31.406 1.00 19.15 0 A 2 +ATOM 393 C CB . GLN A 1 51 ? 11.629 10.729 29.159 1.00 17.49 0 A 2 +ATOM 394 C CG . GLN A 1 51 ? 10.279 11.243 28.702 1.00 22.63 0 A 2 +ATOM 395 C CD . GLN A 1 51 ? 10.076 11.088 27.211 1.00 22.92 0 A 2 +ATOM 396 N NE2 . GLN A 1 51 ? 8.896 10.638 26.820 1.00 26.01 0 A 2 +ATOM 397 O OE1 . GLN A 1 51 ? 10.973 11.380 26.418 1.00 30.18 0 A 2 +ATOM 398 N N . LEU A 1 52 ? 12.883 8.479 30.778 1.00 24.66 0 A 2 +ATOM 399 C CA . LEU A 1 52 ? 13.972 7.519 30.960 1.00 14.22 0 A 2 +ATOM 400 C C . LEU A 1 52 ? 14.287 7.054 29.549 1.00 18.03 0 A 2 +ATOM 401 O O . LEU A 1 52 ? 13.511 7.308 28.618 1.00 17.87 0 A 2 +ATOM 402 C CB . LEU A 1 52 ? 13.508 6.338 31.808 1.00 15.86 0 A 2 +ATOM 403 C CG . LEU A 1 52 ? 13.036 6.600 33.232 1.00 18.44 0 A 2 +ATOM 404 C CD1 . LEU A 1 52 ? 12.615 5.289 33.873 1.00 16.72 0 A 2 +ATOM 405 C CD2 . LEU A 1 52 ? 14.142 7.262 34.045 1.00 16.45 0 A 2 +ATOM 406 N N . PRO A 1 53 ? 15.430 6.364 29.328 1.00 18.70 0 A 2 +ATOM 407 C CA . PRO A 1 53 ? 16.456 5.990 30.314 1.00 19.18 0 A 2 +ATOM 408 C C . PRO A 1 53 ? 17.253 7.137 30.931 1.00 22.97 0 A 2 +ATOM 409 O O . PRO A 1 53 ? 17.399 8.206 30.334 1.00 21.82 0 A 2 +ATOM 410 C CB . PRO A 1 53 ? 17.386 5.095 29.478 1.00 15.73 0 A 2 +ATOM 411 C CG . PRO A 1 53 ? 17.299 5.712 28.123 1.00 12.31 0 A 2 +ATOM 412 C CD . PRO A 1 53 ? 15.808 5.936 27.987 1.00 17.51 0 A 2 +ATOM 413 N N . LYS A 1 54 ? 17.722 6.891 32.154 1.00 16.55 0 A 2 +ATOM 414 C CA . LYS A 1 54 ? 18.556 7.808 32.887 1.00 13.11 0 A 2 +ATOM 415 C C . LYS A 1 54 ? 19.829 6.968 33.039 1.00 12.48 0 A 2 +ATOM 416 O O . LYS A 1 54 ? 19.751 5.747 33.163 1.00 15.43 0 A 2 +ATOM 417 C CB . LYS A 1 54 ? 17.963 8.132 34.263 1.00 8.45 0 A 2 +ATOM 418 C CG . LYS A 1 54 ? 18.916 8.835 35.197 1.00 16.35 0 A 2 +ATOM 419 C CD . LYS A 1 54 ? 18.284 9.044 36.554 1.00 21.38 0 A 2 +ATOM 420 C CE . LYS A 1 54 ? 19.335 9.384 37.610 1.00 29.03 0 A 2 +ATOM 421 N NZ . LYS A 1 54 ? 18.725 9.648 38.950 1.00 32.77 0 A 2 +ATOM 422 N N . PHE A 1 55 ? 20.996 7.601 32.996 1.00 14.72 0 A 2 +ATOM 423 C CA . PHE A 1 55 ? 22.259 6.887 33.086 1.00 15.51 0 A 2 +ATOM 424 C C . PHE A 1 55 ? 23.215 7.581 34.044 1.00 16.16 0 A 2 +ATOM 425 O O . PHE A 1 55 ? 23.228 8.801 34.151 1.00 13.32 0 A 2 +ATOM 426 C CB . PHE A 1 55 ? 22.903 6.845 31.703 1.00 12.80 0 A 2 +ATOM 427 C CG . PHE A 1 55 ? 24.037 5.867 31.598 1.00 15.63 0 A 2 +ATOM 428 C CD1 . PHE A 1 55 ? 23.781 4.504 31.508 1.00 13.51 0 A 2 +ATOM 429 C CD2 . PHE A 1 55 ? 25.355 6.298 31.555 1.00 15.95 0 A 2 +ATOM 430 C CE1 . PHE A 1 55 ? 24.817 3.587 31.377 1.00 14.04 0 A 2 +ATOM 431 C CE2 . PHE A 1 55 ? 26.395 5.389 31.428 1.00 16.14 0 A 2 +ATOM 432 C CZ . PHE A 1 55 ? 26.124 4.031 31.332 1.00 14.88 0 A 2 +ATOM 433 N N . GLN A 1 56 ? 24.015 6.795 34.744 1.00 23.80 0 A 2 +ATOM 434 C CA . GLN A 1 56 ? 24.983 7.373 35.656 1.00 24.68 0 A 2 +ATOM 435 C C . GLN A 1 56 ? 26.351 6.751 35.420 1.00 22.65 0 A 2 +ATOM 436 O O . GLN A 1 56 ? 26.481 5.542 35.257 1.00 24.31 0 A 2 +ATOM 437 C CB . GLN A 1 56 ? 24.542 7.182 37.106 1.00 26.69 0 A 2 +ATOM 438 C CG . GLN A 1 56 ? 23.253 7.920 37.456 1.00 26.64 0 A 2 +ATOM 439 C CD . GLN A 1 56 ? 22.752 7.617 38.862 1.00 34.87 0 A 2 +ATOM 440 N NE2 . GLN A 1 56 ? 22.201 8.626 39.529 1.00 40.91 0 A 2 +ATOM 441 O OE1 . GLN A 1 56 ? 22.838 6.487 39.332 1.00 39.45 0 A 2 +ATOM 442 N N . ASP A 1 57 ? 27.351 7.609 35.298 1.00 19.91 0 A 2 +ATOM 443 C CA . ASP A 1 57 ? 28.727 7.191 35.115 1.00 20.55 0 A 2 +ATOM 444 C C . ASP A 1 57 ? 29.467 8.025 36.154 1.00 22.53 0 A 2 +ATOM 445 O O . ASP A 1 57 ? 29.877 9.155 35.888 1.00 27.33 0 A 2 +ATOM 446 C CB . ASP A 1 57 ? 29.226 7.542 33.715 1.00 21.74 0 A 2 +ATOM 447 C CG . ASP A 1 57 ? 30.641 7.041 33.447 1.00 27.52 0 A 2 +ATOM 448 O OD1 . ASP A 1 57 ? 31.260 6.427 34.350 1.00 34.81 0 A 2 +ATOM 449 O OD2 . ASP A 1 57 ? 31.141 7.258 32.323 1.00 24.61 0 A 2 +ATOM 450 N N . GLY A 1 58 ? 29.625 7.473 37.348 1.00 23.28 0 A 2 +ATOM 451 C CA . GLY A 1 58 ? 30.275 8.226 38.399 1.00 23.67 0 A 2 +ATOM 452 C C . GLY A 1 58 ? 29.215 9.242 38.765 1.00 23.13 0 A 2 +ATOM 453 O O . GLY A 1 58 ? 28.034 8.890 38.802 1.00 22.57 0 A 2 +ATOM 454 N N . ASP A 1 59 ? 29.594 10.506 38.925 1.00 24.58 0 A 2 +ATOM 455 C CA . ASP A 1 59 ? 28.629 11.547 39.277 1.00 24.16 0 A 2 +ATOM 456 C C . ASP A 1 59 ? 28.039 12.230 38.042 1.00 24.90 0 A 2 +ATOM 457 O O . ASP A 1 59 ? 27.347 13.241 38.150 1.00 29.87 0 A 2 +ATOM 458 C CB . ASP A 1 59 ? 29.262 12.582 40.225 1.00 22.42 0 A 2 +ATOM 459 C CG . ASP A 1 59 ? 30.408 13.360 39.591 1.00 24.20 0 A 2 +ATOM 460 O OD1 . ASP A 1 59 ? 31.024 12.878 38.618 1.00 27.29 0 A 2 +ATOM 461 O OD2 . ASP A 1 59 ? 30.705 14.465 40.079 1.00 29.42 0 A 2 +ATOM 462 N N . LEU A 1 60 ? 28.325 11.678 36.871 1.00 21.82 0 A 2 +ATOM 463 C CA . LEU A 1 60 ? 27.817 12.231 35.627 1.00 19.28 0 A 2 +ATOM 464 C C . LEU A 1 60 ? 26.468 11.579 35.361 1.00 19.01 0 A 2 +ATOM 465 O O . LEU A 1 60 ? 26.388 10.367 35.185 1.00 14.88 0 A 2 +ATOM 466 C CB . LEU A 1 60 ? 28.771 11.903 34.476 1.00 20.17 0 A 2 +ATOM 467 C CG . LEU A 1 60 ? 28.858 12.772 33.210 1.00 21.45 0 A 2 +ATOM 468 C CD1 . LEU A 1 60 ? 29.000 11.863 32.022 1.00 16.79 0 A 2 +ATOM 469 C CD2 . LEU A 1 60 ? 27.650 13.667 33.029 1.00 16.92 0 A 2 +ATOM 470 N N . THR A 1 61 ? 25.406 12.373 35.397 1.00 21.90 0 A 2 +ATOM 471 C CA . THR A 1 61 ? 24.069 11.866 35.123 1.00 20.64 0 A 2 +ATOM 472 C C . THR A 1 61 ? 23.702 12.264 33.707 1.00 20.73 0 A 2 +ATOM 473 O O . THR A 1 61 ? 23.856 13.428 33.337 1.00 23.04 0 A 2 +ATOM 474 C CB . THR A 1 61 ? 23.024 12.451 36.090 1.00 18.37 0 A 2 +ATOM 475 C CG2 . THR A 1 61 ? 21.648 11.875 35.788 1.00 13.76 0 A 2 +ATOM 476 O OG1 . THR A 1 61 ? 23.379 12.122 37.434 1.00 11.79 0 A 2 +ATOM 477 N N . LEU A 1 62 ? 23.263 11.298 32.906 1.00 19.85 0 A 2 +ATOM 478 C CA . LEU A 1 62 ? 22.881 11.549 31.520 1.00 15.59 0 A 2 +ATOM 479 C C . LEU A 1 62 ? 21.480 11.095 31.216 1.00 14.82 0 A 2 +ATOM 480 O O . LEU A 1 62 ? 20.937 10.222 31.873 1.00 18.00 0 A 2 +ATOM 481 C CB . LEU A 1 62 ? 23.830 10.828 30.551 1.00 8.32 0 A 2 +ATOM 482 C CG . LEU A 1 62 ? 25.251 11.372 30.468 1.00 13.88 0 A 2 +ATOM 483 C CD1 . LEU A 1 62 ? 26.061 10.434 29.612 1.00 11.63 0 A 2 +ATOM 484 C CD2 . LEU A 1 62 ? 25.250 12.795 29.893 1.00 11.52 0 A 2 +ATOM 485 N N . TYR A 1 63 ? 20.905 11.694 30.189 1.00 19.55 0 A 2 +ATOM 486 C CA . TYR A 1 63 ? 19.578 11.327 29.723 1.00 16.45 0 A 2 +ATOM 487 C C . TYR A 1 63 ? 19.713 11.221 28.194 1.00 15.51 0 A 2 +ATOM 488 O O . TYR A 1 63 ? 20.742 11.613 27.650 1.00 11.02 0 A 2 +ATOM 489 C CB . TYR A 1 63 ? 18.533 12.369 30.167 1.00 14.93 0 A 2 +ATOM 490 C CG . TYR A 1 63 ? 18.391 12.534 31.697 1.00 17.41 0 A 2 +ATOM 491 C CD1 . TYR A 1 63 ? 17.480 11.763 32.423 1.00 15.85 0 A 2 +ATOM 492 C CD2 . TYR A 1 63 ? 19.164 13.473 32.416 1.00 15.04 0 A 2 +ATOM 493 C CE1 . TYR A 1 63 ? 17.336 11.908 33.816 1.00 15.95 0 A 2 +ATOM 494 C CE2 . TYR A 1 63 ? 19.023 13.624 33.809 1.00 15.90 0 A 2 +ATOM 495 C CZ . TYR A 1 63 ? 18.120 12.835 34.494 1.00 16.84 0 A 2 +ATOM 496 O OH . TYR A 1 63 ? 18.092 12.969 35.861 1.00 18.82 0 A 2 +ATOM 497 N N . GLN A 1 64 ? 18.730 10.617 27.536 1.00 17.75 0 A 2 +ATOM 498 C CA . GLN A 1 64 ? 18.734 10.422 26.083 1.00 14.61 0 A 2 +ATOM 499 C C . GLN A 1 64 ? 19.620 9.231 25.692 1.00 14.20 0 A 2 +ATOM 500 O O . GLN A 1 64 ? 20.843 9.296 25.771 1.00 17.72 0 A 2 +ATOM 501 C CB . GLN A 1 64 ? 19.158 11.706 25.362 1.00 19.47 0 A 2 +ATOM 502 C CG . GLN A 1 64 ? 18.217 12.876 25.622 1.00 19.81 0 A 2 +ATOM 503 C CD . GLN A 1 64 ? 16.972 12.805 24.777 1.00 19.26 0 A 2 +ATOM 504 N NE2 . GLN A 1 64 ? 16.094 13.783 24.929 1.00 18.98 0 A 2 +ATOM 505 O OE1 . GLN A 1 64 ? 16.815 11.900 23.979 1.00 26.64 0 A 2 +ATOM 506 N N . SER A 1 65 ? 18.990 8.156 25.233 1.00 14.83 0 A 2 +ATOM 507 C CA . SER A 1 65 ? 19.688 6.933 24.867 1.00 12.57 0 A 2 +ATOM 508 C C . SER A 1 65 ? 20.882 7.142 23.954 1.00 12.63 0 A 2 +ATOM 509 O O . SER A 1 65 ? 21.937 6.548 24.171 1.00 18.50 0 A 2 +ATOM 510 C CB . SER A 1 65 ? 18.712 5.941 24.233 1.00 15.98 0 A 2 +ATOM 511 O OG . SER A 1 65 ? 18.013 6.524 23.134 1.00 12.18 0 A 2 +ATOM 512 N N . ASN A 1 66 ? 20.737 7.996 22.948 1.00 11.55 0 A 2 +ATOM 513 C CA . ASN A 1 66 ? 21.837 8.245 22.015 1.00 8.97 0 A 2 +ATOM 514 C C . ASN A 1 66 ? 22.973 9.010 22.654 1.00 9.97 0 A 2 +ATOM 515 O O . ASN A 1 66 ? 24.112 8.939 22.187 1.00 11.07 0 A 2 +ATOM 516 C CB . ASN A 1 66 ? 21.359 8.950 20.750 1.00 6.70 0 A 2 +ATOM 517 C CG . ASN A 1 66 ? 20.365 8.109 19.955 1.00 8.05 0 A 2 +ATOM 518 N ND2 . ASN A 1 66 ? 20.816 6.975 19.449 1.00 12.10 0 A 2 +ATOM 519 O OD1 . ASN A 1 66 ? 19.205 8.475 19.813 1.00 11.29 0 A 2 +ATOM 520 N N . THR A 1 67 ? 22.676 9.763 23.707 1.00 9.80 0 A 2 +ATOM 521 C CA . THR A 1 67 ? 23.716 10.496 24.422 1.00 13.59 0 A 2 +ATOM 522 C C . THR A 1 67 ? 24.504 9.440 25.190 1.00 9.73 0 A 2 +ATOM 523 O O . THR A 1 67 ? 25.724 9.506 25.285 1.00 11.77 0 A 2 +ATOM 524 C CB . THR A 1 67 ? 23.106 11.517 25.408 1.00 11.02 0 A 2 +ATOM 525 C CG2 . THR A 1 67 ? 24.162 12.122 26.312 1.00 9.87 0 A 2 +ATOM 526 O OG1 . THR A 1 67 ? 22.481 12.558 24.661 1.00 13.78 0 A 2 +ATOM 527 N N . ILE A 1 68 ? 23.803 8.450 25.722 1.00 9.52 0 A 2 +ATOM 528 C CA . ILE A 1 68 ? 24.471 7.391 26.445 1.00 11.43 0 A 2 +ATOM 529 C C . ILE A 1 68 ? 25.345 6.620 25.463 1.00 11.36 0 A 2 +ATOM 530 O O . ILE A 1 68 ? 26.542 6.422 25.703 1.00 9.50 0 A 2 +ATOM 531 C CB . ILE A 1 68 ? 23.462 6.467 27.111 1.00 10.14 0 A 2 +ATOM 532 C CG1 . ILE A 1 68 ? 22.589 7.285 28.052 1.00 5.09 0 A 2 +ATOM 533 C CG2 . ILE A 1 68 ? 24.191 5.366 27.876 1.00 7.03 0 A 2 +ATOM 534 C CD1 . ILE A 1 68 ? 21.330 6.591 28.472 1.00 10.92 0 A 2 +ATOM 535 N N . LEU A 1 69 ? 24.756 6.250 24.330 1.00 11.16 0 A 2 +ATOM 536 C CA . LEU A 1 69 ? 25.473 5.532 23.292 1.00 7.77 0 A 2 +ATOM 537 C C . LEU A 1 69 ? 26.722 6.290 22.865 1.00 8.23 0 A 2 +ATOM 538 O O . LEU A 1 69 ? 27.821 5.748 22.869 1.00 11.43 0 A 2 +ATOM 539 C CB . LEU A 1 69 ? 24.566 5.314 22.091 1.00 8.98 0 A 2 +ATOM 540 C CG . LEU A 1 69 ? 23.581 4.166 22.227 1.00 9.64 0 A 2 +ATOM 541 C CD1 . LEU A 1 69 ? 22.628 4.164 21.030 1.00 9.27 0 A 2 +ATOM 542 C CD2 . LEU A 1 69 ? 24.362 2.855 22.325 1.00 10.12 0 A 2 +ATOM 543 N N . ARG A 1 70 ? 26.565 7.565 22.538 1.00 13.36 0 A 2 +ATOM 544 C CA . ARG A 1 70 ? 27.713 8.356 22.119 1.00 10.47 0 A 2 +ATOM 545 C C . ARG A 1 70 ? 28.731 8.457 23.230 1.00 13.22 0 A 2 +ATOM 546 O O . ARG A 1 70 ? 29.929 8.293 22.994 1.00 13.44 0 A 2 +ATOM 547 C CB . ARG A 1 70 ? 27.299 9.748 21.649 1.00 14.96 0 A 2 +ATOM 548 C CG . ARG A 1 70 ? 26.637 9.727 20.290 1.00 13.07 0 A 2 +ATOM 549 C CD . ARG A 1 70 ? 26.453 11.109 19.693 1.00 10.66 0 A 2 +ATOM 550 N NE . ARG A 1 70 ? 26.169 10.961 18.277 1.00 10.95 0 A 2 +ATOM 551 C CZ . ARG A 1 70 ? 24.954 10.834 17.761 1.00 10.38 0 A 2 +ATOM 552 N NH1 . ARG A 1 70 ? 23.888 10.879 18.545 1.00 10.06 0 A 2 +ATOM 553 N NH2 . ARG A 1 70 ? 24.809 10.546 16.483 1.00 14.85 0 A 2 +ATOM 554 N N . HIS A 1 71 ? 28.259 8.704 24.442 1.00 10.90 0 A 2 +ATOM 555 C CA . HIS A 1 71 ? 29.163 8.811 25.584 1.00 15.78 0 A 2 +ATOM 556 C C . HIS A 1 71 ? 30.019 7.551 25.743 1.00 14.91 0 A 2 +ATOM 557 O O . HIS A 1 71 ? 31.235 7.630 25.895 1.00 20.99 0 A 2 +ATOM 558 C CB . HIS A 1 71 ? 28.381 9.056 26.873 1.00 14.34 0 A 2 +ATOM 559 C CG . HIS A 1 71 ? 29.245 9.071 28.093 1.00 16.78 0 A 2 +ATOM 560 C CD2 . HIS A 1 71 ? 29.302 8.241 29.156 1.00 14.12 0 A 2 +ATOM 561 N ND1 . HIS A 1 71 ? 30.234 10.013 28.290 1.00 15.41 0 A 2 +ATOM 562 C CE1 . HIS A 1 71 ? 30.856 9.766 29.424 1.00 11.19 0 A 2 +ATOM 563 N NE2 . HIS A 1 71 ? 30.310 8.691 29.973 1.00 8.94 0 A 2 +ATOM 564 N N . LEU A 1 72 ? 29.371 6.391 25.732 1.00 19.30 0 A 2 +ATOM 565 C CA . LEU A 1 72 ? 30.065 5.111 25.874 1.00 16.59 0 A 2 +ATOM 566 C C . LEU A 1 72 ? 31.015 4.910 24.703 1.00 18.30 0 A 2 +ATOM 567 O O . LEU A 1 72 ? 32.143 4.439 24.875 1.00 22.34 0 A 2 +ATOM 568 C CB . LEU A 1 72 ? 29.040 3.972 25.900 1.00 12.31 0 A 2 +ATOM 569 C CG . LEU A 1 72 ? 28.630 3.307 27.214 1.00 15.77 0 A 2 +ATOM 570 C CD1 . LEU A 1 72 ? 28.942 4.162 28.429 1.00 13.70 0 A 2 +ATOM 571 C CD2 . LEU A 1 72 ? 27.152 2.954 27.155 1.00 5.95 0 A 2 +ATOM 572 N N . GLY A 1 73 ? 30.576 5.300 23.514 1.00 18.73 0 A 2 +ATOM 573 C CA . GLY A 1 73 ? 31.405 5.138 22.334 1.00 18.87 0 A 2 +ATOM 574 C C . GLY A 1 73 ? 32.640 6.009 22.368 1.00 19.72 0 A 2 +ATOM 575 O O . GLY A 1 73 ? 33.720 5.624 21.905 1.00 18.68 0 A 2 +ATOM 576 N N . ARG A 1 74 ? 32.492 7.182 22.954 1.00 24.00 0 A 2 +ATOM 577 C CA . ARG A 1 74 ? 33.586 8.125 23.051 1.00 25.02 0 A 2 +ATOM 578 C C . ARG A 1 74 ? 34.598 7.638 24.082 1.00 22.13 0 A 2 +ATOM 579 O O . ARG A 1 74 ? 35.784 7.499 23.787 1.00 21.61 0 A 2 +ATOM 580 C CB . ARG A 1 74 ? 33.014 9.490 23.443 1.00 24.98 0 A 2 +ATOM 581 C CG . ARG A 1 74 ? 33.896 10.693 23.160 1.00 27.04 0 A 2 +ATOM 582 C CD . ARG A 1 74 ? 33.027 11.874 22.780 1.00 21.06 0 A 2 +ATOM 583 N NE . ARG A 1 74 ? 31.857 11.924 23.640 1.00 19.49 0 A 2 +ATOM 584 C CZ . ARG A 1 74 ? 30.639 12.270 23.253 1.00 15.40 0 A 2 +ATOM 585 N NH1 . ARG A 1 74 ? 30.386 12.626 22.005 1.00 13.72 0 A 2 +ATOM 586 N NH2 . ARG A 1 74 ? 29.658 12.217 24.131 1.00 15.09 0 A 2 +ATOM 587 N N . THR A 1 75 ? 34.102 7.286 25.260 1.00 15.87 0 A 2 +ATOM 588 C CA . THR A 1 75 ? 34.968 6.847 26.334 1.00 21.99 0 A 2 +ATOM 589 C C . THR A 1 75 ? 35.544 5.446 26.189 1.00 21.93 0 A 2 +ATOM 590 O O . THR A 1 75 ? 36.547 5.124 26.834 1.00 24.68 0 A 2 +ATOM 591 C CB . THR A 1 75 ? 34.251 6.946 27.684 1.00 25.11 0 A 2 +ATOM 592 C CG2 . THR A 1 75 ? 33.944 8.398 28.020 1.00 18.38 0 A 2 +ATOM 593 O OG1 . THR A 1 75 ? 33.022 6.211 27.622 1.00 27.41 0 A 2 +ATOM 594 N N . LEU A 1 76 ? 34.870 4.590 25.422 1.00 20.86 0 A 2 +ATOM 595 C CA . LEU A 1 76 ? 35.336 3.218 25.224 1.00 15.43 0 A 2 +ATOM 596 C C . LEU A 1 76 ? 36.041 2.993 23.895 1.00 17.86 0 A 2 +ATOM 597 O O . LEU A 1 76 ? 36.524 1.890 23.637 1.00 20.78 0 A 2 +ATOM 598 C CB . LEU A 1 76 ? 34.188 2.222 25.360 1.00 15.27 0 A 2 +ATOM 599 C CG . LEU A 1 76 ? 33.811 1.667 26.728 1.00 12.36 0 A 2 +ATOM 600 C CD1 . LEU A 1 76 ? 34.750 2.161 27.818 1.00 13.14 0 A 2 +ATOM 601 C CD2 . LEU A 1 76 ? 32.404 2.057 27.029 1.00 10.91 0 A 2 +ATOM 602 N N . GLY A 1 77 ? 36.086 4.022 23.058 1.00 20.45 0 A 2 +ATOM 603 C CA . GLY A 1 77 ? 36.741 3.892 21.769 1.00 20.48 0 A 2 +ATOM 604 C C . GLY A 1 77 ? 35.939 3.145 20.713 1.00 19.41 0 A 2 +ATOM 605 O O . GLY A 1 77 ? 36.489 2.371 19.941 1.00 17.05 0 A 2 +ATOM 606 N N . LEU A 1 78 ? 34.638 3.385 20.692 1.00 16.20 0 A 2 +ATOM 607 C CA . LEU A 1 78 ? 33.759 2.765 19.715 1.00 12.76 0 A 2 +ATOM 608 C C . LEU A 1 78 ? 33.145 3.892 18.868 1.00 14.52 0 A 2 +ATOM 609 O O . LEU A 1 78 ? 31.960 3.841 18.559 1.00 10.30 0 A 2 +ATOM 610 C CB . LEU A 1 78 ? 32.654 1.982 20.435 1.00 12.99 0 A 2 +ATOM 611 C CG . LEU A 1 78 ? 33.132 1.221 21.678 1.00 13.16 0 A 2 +ATOM 612 C CD1 . LEU A 1 78 ? 31.957 0.613 22.358 1.00 14.45 0 A 2 +ATOM 613 C CD2 . LEU A 1 78 ? 34.173 0.147 21.318 1.00 12.31 0 A 2 +ATOM 614 N N . TYR A 1 79 ? 33.949 4.895 18.492 1.00 18.32 0 A 2 +ATOM 615 C CA . TYR A 1 79 ? 33.461 6.057 17.717 1.00 19.08 0 A 2 +ATOM 616 C C . TYR A 1 79 ? 34.282 6.335 16.432 1.00 22.41 0 A 2 +ATOM 617 O O . TYR A 1 79 ? 34.425 7.490 16.025 1.00 24.01 0 A 2 +ATOM 618 C CB . TYR A 1 79 ? 33.490 7.328 18.594 1.00 12.16 0 A 2 +ATOM 619 C CG . TYR A 1 79 ? 32.309 8.317 18.432 1.00 11.30 0 A 2 +ATOM 620 C CD1 . TYR A 1 79 ? 31.814 8.687 17.176 1.00 10.27 0 A 2 +ATOM 621 C CD2 . TYR A 1 79 ? 31.708 8.905 19.557 1.00 10.23 0 A 2 +ATOM 622 C CE1 . TYR A 1 79 ? 30.742 9.618 17.047 1.00 11.01 0 A 2 +ATOM 623 C CE2 . TYR A 1 79 ? 30.644 9.835 19.442 1.00 6.64 0 A 2 +ATOM 624 C CZ . TYR A 1 79 ? 30.170 10.176 18.189 1.00 10.33 0 A 2 +ATOM 625 O OH . TYR A 1 79 ? 29.089 11.023 18.125 1.00 15.00 0 A 2 +ATOM 626 N N . GLY A 1 80 ? 34.818 5.300 15.795 1.00 20.27 0 A 2 +ATOM 627 C CA . GLY A 1 80 ? 35.598 5.526 14.579 1.00 16.38 0 A 2 +ATOM 628 C C . GLY A 1 80 ? 37.060 5.814 14.848 1.00 19.16 0 A 2 +ATOM 629 O O . GLY A 1 80 ? 37.432 6.134 15.982 1.00 18.11 0 A 2 +ATOM 630 N N . LYS A 1 81 ? 37.902 5.698 13.825 1.00 23.65 0 A 2 +ATOM 631 C CA . LYS A 1 81 ? 39.332 5.915 14.016 1.00 27.37 0 A 2 +ATOM 632 C C . LYS A 1 81 ? 39.734 7.365 13.829 1.00 24.21 0 A 2 +ATOM 633 O O . LYS A 1 81 ? 40.822 7.773 14.213 1.00 26.19 0 A 2 +ATOM 634 C CB . LYS A 1 81 ? 40.154 4.988 13.102 1.00 26.88 0 A 2 +ATOM 635 C CG . LYS A 1 81 ? 40.183 5.383 11.634 1.00 32.77 0 A 2 +ATOM 636 C CD . LYS A 1 81 ? 41.054 4.427 10.827 1.00 34.84 0 A 2 +ATOM 637 C CE . LYS A 1 81 ? 41.326 4.962 9.427 1.00 39.59 0 A 2 +ATOM 638 N NZ . LYS A 1 81 ? 40.084 5.049 8.602 1.00 53.83 0 A 2 +ATOM 639 N N . ASP A 1 82 ? 38.848 8.153 13.236 1.00 27.53 0 A 2 +ATOM 640 C CA . ASP A 1 82 ? 39.128 9.562 13.031 1.00 26.59 0 A 2 +ATOM 641 C C . ASP A 1 82 ? 37.839 10.341 12.891 1.00 23.41 0 A 2 +ATOM 642 O O . ASP A 1 82 ? 36.744 9.763 12.915 1.00 27.26 0 A 2 +ATOM 643 C CB . ASP A 1 82 ? 40.046 9.785 11.814 1.00 26.30 0 A 2 +ATOM 644 C CG . ASP A 1 82 ? 39.506 9.176 10.535 1.00 23.89 0 A 2 +ATOM 645 O OD1 . ASP A 1 82 ? 38.306 9.330 10.236 1.00 28.62 0 A 2 +ATOM 646 O OD2 . ASP A 1 82 ? 40.299 8.549 9.810 1.00 31.21 0 A 2 +ATOM 647 N N . GLN A 1 83 ? 37.975 11.638 12.666 1.00 18.01 0 A 2 +ATOM 648 C CA . GLN A 1 83 ? 36.826 12.508 12.541 1.00 23.83 0 A 2 +ATOM 649 C C . GLN A 1 83 ? 35.909 12.106 11.410 1.00 22.28 0 A 2 +ATOM 650 O O . GLN A 1 83 ? 34.689 12.185 11.543 1.00 22.68 0 A 2 +ATOM 651 C CB . GLN A 1 83 ? 37.281 13.955 12.395 1.00 26.61 0 A 2 +ATOM 652 C CG . GLN A 1 83 ? 37.928 14.491 13.661 1.00 27.18 0 A 2 +ATOM 653 C CD . GLN A 1 83 ? 38.273 15.959 13.575 1.00 33.40 0 A 2 +ATOM 654 N NE2 . GLN A 1 83 ? 38.726 16.394 12.406 1.00 37.74 0 A 2 +ATOM 655 O OE1 . GLN A 1 83 ? 38.147 16.694 14.548 1.00 27.84 0 A 2 +ATOM 656 N N . GLN A 1 84 ? 36.500 11.649 10.320 1.00 22.31 0 A 2 +ATOM 657 C CA . GLN A 1 84 ? 35.731 11.214 9.164 1.00 27.04 0 A 2 +ATOM 658 C C . GLN A 1 84 ? 34.807 10.042 9.557 1.00 23.86 0 A 2 +ATOM 659 O O . GLN A 1 84 ? 33.581 10.138 9.438 1.00 21.39 0 A 2 +ATOM 660 C CB . GLN A 1 84 ? 36.690 10.819 8.035 1.00 31.00 0 A 2 +ATOM 661 C CG . GLN A 1 84 ? 36.010 10.312 6.788 1.00 40.65 0 A 2 +ATOM 662 C CD . GLN A 1 84 ? 36.949 10.262 5.617 1.00 48.02 0 A 2 +ATOM 663 N NE2 . GLN A 1 84 ? 37.213 9.061 5.118 1.00 52.71 0 A 2 +ATOM 664 O OE1 . GLN A 1 84 ? 37.448 11.293 5.172 1.00 55.36 0 A 2 +ATOM 665 N N . GLU A 1 85 ? 35.398 8.976 10.100 1.00 20.99 0 A 2 +ATOM 666 C CA . GLU A 1 85 ? 34.634 7.802 10.517 1.00 18.63 0 A 2 +ATOM 667 C C . GLU A 1 85 ? 33.604 8.196 11.562 1.00 16.42 0 A 2 +ATOM 668 O O . GLU A 1 85 ? 32.473 7.717 11.516 1.00 16.75 0 A 2 +ATOM 669 C CB . GLU A 1 85 ? 35.543 6.692 11.054 1.00 20.21 0 A 2 +ATOM 670 C CG . GLU A 1 85 ? 36.483 6.104 10.021 1.00 21.72 0 A 2 +ATOM 671 C CD . GLU A 1 85 ? 36.989 4.715 10.392 1.00 23.07 0 A 2 +ATOM 672 O OE1 . GLU A 1 85 ? 36.894 4.321 11.577 1.00 19.01 0 A 2 +ATOM 673 O OE2 . GLU A 1 85 ? 37.489 4.013 9.483 1.00 26.83 0 A 2 +ATOM 674 N N . ALA A 1 86 ? 33.982 9.111 12.453 1.00 15.18 0 A 2 +ATOM 675 C CA . ALA A 1 86 ? 33.085 9.604 13.499 1.00 15.43 0 A 2 +ATOM 676 C C . ALA A 1 86 ? 31.807 10.174 12.880 1.00 12.49 0 A 2 +ATOM 677 O O . ALA A 1 86 ? 30.699 9.898 13.354 1.00 13.15 0 A 2 +ATOM 678 C CB . ALA A 1 86 ? 33.791 10.673 14.334 1.00 12.72 0 A 2 +ATOM 679 N N . ALA A 1 87 ? 31.955 10.932 11.800 1.00 11.17 0 A 2 +ATOM 680 C CA . ALA A 1 87 ? 30.799 11.514 11.119 1.00 14.12 0 A 2 +ATOM 681 C C . ALA A 1 87 ? 29.947 10.388 10.505 1.00 12.81 0 A 2 +ATOM 682 O O . ALA A 1 87 ? 28.713 10.405 10.584 1.00 13.07 0 A 2 +ATOM 683 C CB . ALA A 1 87 ? 31.256 12.488 10.035 1.00 11.65 0 A 2 +ATOM 684 N N . LEU A 1 88 ? 30.615 9.416 9.894 1.00 12.83 0 A 2 +ATOM 685 C CA . LEU A 1 88 ? 29.930 8.289 9.272 1.00 11.51 0 A 2 +ATOM 686 C C . LEU A 1 88 ? 29.176 7.489 10.332 1.00 13.02 0 A 2 +ATOM 687 O O . LEU A 1 88 ? 28.034 7.078 10.114 1.00 14.79 0 A 2 +ATOM 688 C CB . LEU A 1 88 ? 30.948 7.432 8.506 1.00 10.68 0 A 2 +ATOM 689 C CG . LEU A 1 88 ? 31.591 8.239 7.364 1.00 11.18 0 A 2 +ATOM 690 C CD1 . LEU A 1 88 ? 32.777 7.518 6.764 1.00 10.41 0 A 2 +ATOM 691 C CD2 . LEU A 1 88 ? 30.554 8.546 6.296 1.00 6.76 0 A 2 +ATOM 692 N N . VAL A 1 89 ? 29.764 7.371 11.515 1.00 11.20 0 A 2 +ATOM 693 C CA . VAL A 1 89 ? 29.126 6.647 12.610 1.00 10.83 0 A 2 +ATOM 694 C C . VAL A 1 89 ? 27.830 7.359 13.022 1.00 14.49 0 A 2 +ATOM 695 O O . VAL A 1 89 ? 26.793 6.724 13.249 1.00 13.06 0 A 2 +ATOM 696 C CB . VAL A 1 89 ? 30.091 6.532 13.829 1.00 14.37 0 A 2 +ATOM 697 C CG1 . VAL A 1 89 ? 29.365 5.971 15.049 1.00 10.83 0 A 2 +ATOM 698 C CG2 . VAL A 1 89 ? 31.256 5.624 13.485 1.00 7.93 0 A 2 +ATOM 699 N N . ASP A 1 90 ? 27.891 8.688 13.096 1.00 17.78 0 A 2 +ATOM 700 C CA . ASP A 1 90 ? 26.741 9.501 13.480 1.00 10.64 0 A 2 +ATOM 701 C C . ASP A 1 90 ? 25.661 9.308 12.438 1.00 9.62 0 A 2 +ATOM 702 O O . ASP A 1 90 ? 24.510 9.057 12.771 1.00 16.15 0 A 2 +ATOM 703 C CB . ASP A 1 90 ? 27.113 10.995 13.530 1.00 9.99 0 A 2 +ATOM 704 C CG . ASP A 1 90 ? 27.827 11.389 14.806 1.00 5.61 0 A 2 +ATOM 705 O OD1 . ASP A 1 90 ? 27.634 10.732 15.833 1.00 13.44 0 A 2 +ATOM 706 O OD2 . ASP A 1 90 ? 28.554 12.384 14.795 1.00 12.55 0 A 2 +ATOM 707 N N . MET A 1 91 ? 26.059 9.400 11.177 1.00 7.49 0 A 2 +ATOM 708 C CA . MET A 1 91 ? 25.145 9.265 10.051 1.00 11.58 0 A 2 +ATOM 709 C C . MET A 1 91 ? 24.354 7.976 10.126 1.00 9.33 0 A 2 +ATOM 710 O O . MET A 1 91 ? 23.138 7.970 9.889 1.00 12.38 0 A 2 +ATOM 711 C CB . MET A 1 91 ? 25.933 9.338 8.750 1.00 9.78 0 A 2 +ATOM 712 C CG . MET A 1 91 ? 25.085 9.507 7.513 1.00 16.04 0 A 2 +ATOM 713 S SD . MET A 1 91 ? 26.173 9.866 6.165 1.00 19.88 0 A 2 +ATOM 714 C CE . MET A 1 91 ? 26.804 8.247 5.843 1.00 29.19 0 A 2 +ATOM 715 N N . VAL A 1 92 ? 25.032 6.887 10.482 1.00 14.63 0 A 2 +ATOM 716 C CA . VAL A 1 92 ? 24.367 5.591 10.610 1.00 13.36 0 A 2 +ATOM 717 C C . VAL A 1 92 ? 23.436 5.634 11.801 1.00 11.03 0 A 2 +ATOM 718 O O . VAL A 1 92 ? 22.268 5.272 11.690 1.00 12.92 0 A 2 +ATOM 719 C CB . VAL A 1 92 ? 25.378 4.446 10.850 1.00 12.08 0 A 2 +ATOM 720 C CG1 . VAL A 1 92 ? 24.644 3.181 11.240 1.00 10.69 0 A 2 +ATOM 721 C CG2 . VAL A 1 92 ? 26.199 4.204 9.608 1.00 7.76 0 A 2 +ATOM 722 N N . ASN A 1 93 ? 23.944 6.094 12.941 1.00 12.31 0 A 2 +ATOM 723 C CA . ASN A 1 93 ? 23.122 6.136 14.139 1.00 10.00 0 A 2 +ATOM 724 C C . ASN A 1 93 ? 21.878 6.971 13.957 1.00 9.72 0 A 2 +ATOM 725 O O . ASN A 1 93 ? 20.793 6.567 14.395 1.00 15.02 0 A 2 +ATOM 726 C CB . ASN A 1 93 ? 23.912 6.635 15.346 1.00 12.15 0 A 2 +ATOM 727 C CG . ASN A 1 93 ? 23.236 6.273 16.632 1.00 14.08 0 A 2 +ATOM 728 N ND2 . ASN A 1 93 ? 23.243 4.988 16.943 1.00 10.51 0 A 2 +ATOM 729 O OD1 . ASN A 1 93 ? 22.626 7.113 17.300 1.00 13.32 0 A 2 +ATOM 730 N N . ASP A 1 94 ? 22.024 8.123 13.296 1.00 9.31 0 A 2 +ATOM 731 C CA . ASP A 1 94 ? 20.875 9.004 13.034 1.00 10.13 0 A 2 +ATOM 732 C C . ASP A 1 94 ? 19.821 8.285 12.195 1.00 7.72 0 A 2 +ATOM 733 O O . ASP A 1 94 ? 18.625 8.434 12.423 1.00 11.87 0 A 2 +ATOM 734 C CB . ASP A 1 94 ? 21.314 10.281 12.316 1.00 11.93 0 A 2 +ATOM 735 C CG . ASP A 1 94 ? 22.129 11.213 13.190 1.00 17.36 0 A 2 +ATOM 736 O OD1 . ASP A 1 94 ? 22.376 10.885 14.372 1.00 22.49 0 A 2 +ATOM 737 O OD2 . ASP A 1 94 ? 22.528 12.276 12.691 1.00 16.78 0 A 2 +ATOM 738 N N . GLY A 1 95 ? 20.271 7.505 11.225 1.00 11.46 0 A 2 +ATOM 739 C CA . GLY A 1 95 ? 19.344 6.757 10.393 1.00 11.96 0 A 2 +ATOM 740 C C . GLY A 1 95 ? 18.632 5.707 11.228 1.00 13.87 0 A 2 +ATOM 741 O O . GLY A 1 95 ? 17.427 5.500 11.076 1.00 10.04 0 A 2 +ATOM 742 N N . VAL A 1 96 ? 19.369 5.065 12.129 1.00 13.88 0 A 2 +ATOM 743 C CA . VAL A 1 96 ? 18.804 4.047 13.012 1.00 11.98 0 A 2 +ATOM 744 C C . VAL A 1 96 ? 17.733 4.721 13.855 1.00 10.88 0 A 2 +ATOM 745 O O . VAL A 1 96 ? 16.599 4.233 13.942 1.00 14.86 0 A 2 +ATOM 746 C CB . VAL A 1 96 ? 19.890 3.414 13.926 1.00 15.73 0 A 2 +ATOM 747 C CG1 . VAL A 1 96 ? 19.267 2.441 14.914 1.00 13.37 0 A 2 +ATOM 748 C CG2 . VAL A 1 96 ? 20.918 2.673 13.084 1.00 13.54 0 A 2 +ATOM 749 N N . GLU A 1 97 ? 18.070 5.886 14.406 1.00 11.49 0 A 2 +ATOM 750 C CA . GLU A 1 97 ? 17.141 6.663 15.235 1.00 13.61 0 A 2 +ATOM 751 C C . GLU A 1 97 ? 15.852 6.996 14.483 1.00 13.41 0 A 2 +ATOM 752 O O . GLU A 1 97 ? 14.761 6.794 15.001 1.00 18.49 0 A 2 +ATOM 753 C CB . GLU A 1 97 ? 17.818 7.951 15.741 1.00 11.32 0 A 2 +ATOM 754 C CG . GLU A 1 97 ? 16.906 8.876 16.551 1.00 10.63 0 A 2 +ATOM 755 C CD . GLU A 1 97 ? 16.251 8.221 17.767 1.00 14.42 0 A 2 +ATOM 756 O OE1 . GLU A 1 97 ? 16.684 7.139 18.215 1.00 11.55 0 A 2 +ATOM 757 O OE2 . GLU A 1 97 ? 15.278 8.812 18.278 1.00 17.87 0 A 2 +ATOM 758 N N . ASP A 1 98 ? 15.980 7.454 13.243 1.00 14.10 0 A 2 +ATOM 759 C CA . ASP A 1 98 ? 14.823 7.781 12.425 1.00 13.15 0 A 2 +ATOM 760 C C . ASP A 1 98 ? 13.903 6.569 12.284 1.00 9.79 0 A 2 +ATOM 761 O O . ASP A 1 98 ? 12.678 6.676 12.405 1.00 11.28 0 A 2 +ATOM 762 C CB . ASP A 1 98 ? 15.277 8.202 11.025 1.00 15.20 0 A 2 +ATOM 763 C CG . ASP A 1 98 ? 15.748 9.643 10.956 1.00 12.17 0 A 2 +ATOM 764 O OD1 . ASP A 1 98 ? 15.709 10.355 11.981 1.00 12.79 0 A 2 +ATOM 765 O OD2 . ASP A 1 98 ? 16.146 10.063 9.856 1.00 23.99 0 A 2 +ATOM 766 N N . LEU A 1 99 ? 14.489 5.418 11.987 1.00 12.65 0 A 2 +ATOM 767 C CA . LEU A 1 99 ? 13.689 4.216 11.809 1.00 15.16 0 A 2 +ATOM 768 C C . LEU A 1 99 ? 13.127 3.719 13.140 1.00 13.92 0 A 2 +ATOM 769 O O . LEU A 1 99 ? 12.013 3.187 13.188 1.00 15.05 0 A 2 +ATOM 770 C CB . LEU A 1 99 ? 14.495 3.127 11.094 1.00 13.89 0 A 2 +ATOM 771 C CG . LEU A 1 99 ? 13.678 1.903 10.669 1.00 15.66 0 A 2 +ATOM 772 C CD1 . LEU A 1 99 ? 12.377 2.319 9.982 1.00 12.79 0 A 2 +ATOM 773 C CD2 . LEU A 1 99 ? 14.516 1.027 9.755 1.00 14.29 0 A 2 +ATOM 774 N N . ARG A 1 100 ? 13.871 3.924 14.224 1.00 13.87 0 A 2 +ATOM 775 C CA . ARG A 1 100 ? 13.394 3.495 15.536 1.00 14.16 0 A 2 +ATOM 776 C C . ARG A 1 100 ? 12.175 4.310 15.953 1.00 12.03 0 A 2 +ATOM 777 O O . ARG A 1 100 ? 11.270 3.792 16.607 1.00 21.59 0 A 2 +ATOM 778 C CB . ARG A 1 100 ? 14.495 3.621 16.594 1.00 10.62 0 A 2 +ATOM 779 C CG . ARG A 1 100 ? 14.062 3.056 17.943 1.00 10.57 0 A 2 +ATOM 780 C CD . ARG A 1 100 ? 15.120 3.201 19.008 1.00 3.47 0 A 2 +ATOM 781 N NE . ARG A 1 100 ? 16.345 2.478 18.689 1.00 12.32 0 A 2 +ATOM 782 C CZ . ARG A 1 100 ? 16.494 1.164 18.803 1.00 10.19 0 A 2 +ATOM 783 N NH1 . ARG A 1 100 ? 15.492 0.412 19.237 1.00 7.16 0 A 2 +ATOM 784 N NH2 . ARG A 1 100 ? 17.657 0.597 18.514 1.00 13.11 0 A 2 +ATOM 785 N N . CYS A 1 101 ? 12.146 5.586 15.579 1.00 12.84 0 A 2 +ATOM 786 C CA . CYS A 1 101 ? 11.024 6.457 15.916 1.00 12.88 0 A 2 +ATOM 787 C C . CYS A 1 101 ? 9.765 5.992 15.209 1.00 11.94 0 A 2 +ATOM 788 O O . CYS A 1 101 ? 8.681 6.012 15.785 1.00 20.94 0 A 2 +ATOM 789 C CB . CYS A 1 101 ? 11.313 7.913 15.539 1.00 15.28 0 A 2 +ATOM 790 S SG . CYS A 1 101 ? 12.611 8.717 16.507 1.00 23.55 0 A 2 +ATOM 791 N N . LYS A 1 102 ? 9.905 5.587 13.953 1.00 12.98 0 A 2 +ATOM 792 C CA . LYS A 1 102 ? 8.764 5.097 13.177 1.00 11.80 0 A 2 +ATOM 793 C C . LYS A 1 102 ? 8.290 3.783 13.792 1.00 12.31 0 A 2 +ATOM 794 O O . LYS A 1 102 ? 7.089 3.555 13.954 1.00 16.55 0 A 2 +ATOM 795 C CB . LYS A 1 102 ? 9.178 4.870 11.722 1.00 17.38 0 A 2 +ATOM 796 C CG . LYS A 1 102 ? 9.590 6.135 10.986 1.00 27.18 0 A 2 +ATOM 797 C CD . LYS A 1 102 ? 10.054 5.801 9.581 1.00 28.92 0 A 2 +ATOM 798 C CE . LYS A 1 102 ? 10.159 7.055 8.725 1.00 33.11 0 A 2 +ATOM 799 N NZ . LYS A 1 102 ? 10.782 6.777 7.399 1.00 36.21 0 A 2 +ATOM 800 N N . TYR A 1 103 ? 9.244 2.935 14.161 1.00 9.24 0 A 2 +ATOM 801 C CA . TYR A 1 103 ? 8.953 1.655 14.788 1.00 14.65 0 A 2 +ATOM 802 C C . TYR A 1 103 ? 8.179 1.917 16.078 1.00 16.69 0 A 2 +ATOM 803 O O . TYR A 1 103 ? 7.094 1.374 16.299 1.00 22.64 0 A 2 +ATOM 804 C CB . TYR A 1 103 ? 10.276 0.926 15.100 1.00 13.23 0 A 2 +ATOM 805 C CG . TYR A 1 103 ? 10.154 -0.306 15.965 1.00 12.67 0 A 2 +ATOM 806 C CD1 . TYR A 1 103 ? 9.865 -1.546 15.410 1.00 11.48 0 A 2 +ATOM 807 C CD2 . TYR A 1 103 ? 10.321 -0.231 17.349 1.00 12.26 0 A 2 +ATOM 808 C CE1 . TYR A 1 103 ? 9.740 -2.688 16.215 1.00 17.09 0 A 2 +ATOM 809 C CE2 . TYR A 1 103 ? 10.201 -1.363 18.165 1.00 18.49 0 A 2 +ATOM 810 C CZ . TYR A 1 103 ? 9.906 -2.583 17.593 1.00 18.16 0 A 2 +ATOM 811 O OH . TYR A 1 103 ? 9.747 -3.689 18.397 1.00 11.85 0 A 2 +ATOM 812 N N . ILE A 1 104 ? 8.733 2.771 16.920 1.00 17.02 0 A 2 +ATOM 813 C CA . ILE A 1 104 ? 8.112 3.097 18.185 1.00 11.67 0 A 2 +ATOM 814 C C . ILE A 1 104 ? 6.701 3.610 17.945 1.00 15.35 0 A 2 +ATOM 815 O O . ILE A 1 104 ? 5.737 3.147 18.557 1.00 18.65 0 A 2 +ATOM 816 C CB . ILE A 1 104 ? 8.981 4.128 18.938 1.00 13.49 0 A 2 +ATOM 817 C CG1 . ILE A 1 104 ? 10.269 3.451 19.431 1.00 15.14 0 A 2 +ATOM 818 C CG2 . ILE A 1 104 ? 8.198 4.747 20.086 1.00 11.97 0 A 2 +ATOM 819 C CD1 . ILE A 1 104 ? 11.308 4.406 19.990 1.00 5.69 0 A 2 +ATOM 820 N N . SER A 1 105 ? 6.572 4.511 16.984 1.00 18.14 0 A 2 +ATOM 821 C CA . SER A 1 105 ? 5.281 5.087 16.654 1.00 19.80 0 A 2 +ATOM 822 C C . SER A 1 105 ? 4.285 3.981 16.313 1.00 18.91 0 A 2 +ATOM 823 O O . SER A 1 105 ? 3.157 4.001 16.779 1.00 21.94 0 A 2 +ATOM 824 C CB . SER A 1 105 ? 5.423 6.050 15.475 1.00 19.96 0 A 2 +ATOM 825 O OG . SER A 1 105 ? 4.228 6.761 15.258 1.00 22.52 0 A 2 +ATOM 826 N N . LEU A 1 106 ? 4.691 3.025 15.495 1.00 15.98 0 A 2 +ATOM 827 C CA . LEU A 1 106 ? 3.797 1.933 15.131 1.00 19.05 0 A 2 +ATOM 828 C C . LEU A 1 106 ? 3.364 1.175 16.378 1.00 17.47 0 A 2 +ATOM 829 O O . LEU A 1 106 ? 2.184 1.115 16.716 1.00 19.49 0 A 2 +ATOM 830 C CB . LEU A 1 106 ? 4.506 0.970 14.178 1.00 16.89 0 A 2 +ATOM 831 C CG . LEU A 1 106 ? 3.736 -0.311 13.827 1.00 24.30 0 A 2 +ATOM 832 C CD1 . LEU A 1 106 ? 2.528 0.012 12.935 1.00 12.38 0 A 2 +ATOM 833 C CD2 . LEU A 1 106 ? 4.677 -1.291 13.143 1.00 22.23 0 A 2 +ATOM 834 N N . ILE A 1 107 ? 4.353 0.653 17.086 1.00 15.72 0 A 2 +ATOM 835 C CA . ILE A 1 107 ? 4.140 -0.122 18.297 1.00 23.09 0 A 2 +ATOM 836 C C . ILE A 1 107 ? 3.180 0.494 19.304 1.00 22.75 0 A 2 +ATOM 837 O O . ILE A 1 107 ? 2.372 -0.219 19.897 1.00 25.35 0 A 2 +ATOM 838 C CB . ILE A 1 107 ? 5.484 -0.383 19.017 1.00 25.26 0 A 2 +ATOM 839 C CG1 . ILE A 1 107 ? 6.428 -1.159 18.091 1.00 19.76 0 A 2 +ATOM 840 C CG2 . ILE A 1 107 ? 5.264 -1.133 20.342 1.00 25.52 0 A 2 +ATOM 841 C CD1 . ILE A 1 107 ? 5.884 -2.493 17.636 1.00 19.78 0 A 2 +ATOM 842 N N . TYR A 1 108 ? 3.267 1.810 19.498 1.00 21.63 0 A 2 +ATOM 843 C CA . TYR A 1 108 ? 2.428 2.506 20.472 1.00 22.71 0 A 2 +ATOM 844 C C . TYR A 1 108 ? 1.256 3.363 19.894 1.00 23.36 0 A 2 +ATOM 845 O O . TYR A 1 108 ? 0.242 3.566 20.557 1.00 24.40 0 A 2 +ATOM 846 C CB . TYR A 1 108 ? 3.351 3.365 21.395 1.00 21.01 0 A 2 +ATOM 847 C CG . TYR A 1 108 ? 4.365 2.595 22.246 1.00 18.74 0 A 2 +ATOM 848 C CD1 . TYR A 1 108 ? 3.965 1.963 23.430 1.00 20.42 0 A 2 +ATOM 849 C CD2 . TYR A 1 108 ? 5.708 2.448 21.851 1.00 21.62 0 A 2 +ATOM 850 C CE1 . TYR A 1 108 ? 4.842 1.213 24.182 1.00 17.64 0 A 2 +ATOM 851 C CE2 . TYR A 1 108 ? 6.599 1.683 22.625 1.00 16.73 0 A 2 +ATOM 852 C CZ . TYR A 1 108 ? 6.139 1.074 23.788 1.00 21.39 0 A 2 +ATOM 853 O OH . TYR A 1 108 ? 6.951 0.376 24.643 1.00 24.74 0 A 2 +ATOM 854 N N . THR A 1 109 ? 1.351 3.785 18.638 1.00 28.26 0 A 2 +ATOM 855 C CA . THR A 1 109 ? 0.323 4.650 18.044 1.00 31.34 0 A 2 +ATOM 856 C C . THR A 1 109 ? -0.742 3.953 17.215 1.00 33.54 0 A 2 +ATOM 857 O O . THR A 1 109 ? -1.935 4.252 17.332 1.00 30.65 0 A 2 +ATOM 858 C CB . THR A 1 109 ? 0.982 5.803 17.252 1.00 28.77 0 A 2 +ATOM 859 C CG2 . THR A 1 109 ? -0.010 6.536 16.361 1.00 37.77 0 A 2 +ATOM 860 O OG1 . THR A 1 109 ? 1.547 6.724 18.187 1.00 30.80 0 A 2 +ATOM 861 N N . ASN A 1 110 ? -0.323 3.019 16.375 1.00 31.20 0 A 2 +ATOM 862 C CA . ASN A 1 110 ? -1.288 2.299 15.569 1.00 33.49 0 A 2 +ATOM 863 C C . ASN A 1 110 ? -0.725 1.006 15.013 1.00 31.43 0 A 2 +ATOM 864 O O . ASN A 1 110 ? -0.522 0.856 13.816 1.00 31.15 0 A 2 +ATOM 865 C CB . ASN A 1 110 ? -1.887 3.194 14.476 1.00 37.66 0 A 2 +ATOM 866 C CG . ASN A 1 110 ? -0.851 3.708 13.498 1.00 44.60 0 A 2 +ATOM 867 N ND2 . ASN A 1 110 ? 0.323 4.075 13.991 1.00 45.88 0 A 2 +ATOM 868 O OD1 . ASN A 1 110 ? -1.117 3.788 12.302 1.00 46.35 0 A 2 +ATOM 869 N N . TYR A 1 111 ? -0.515 0.052 15.910 1.00 29.11 0 A 2 +ATOM 870 C CA . TYR A 1 111 ? 0.014 -1.245 15.544 1.00 28.88 0 A 2 +ATOM 871 C C . TYR A 1 111 ? -0.891 -2.015 14.582 1.00 29.41 0 A 2 +ATOM 872 O O . TYR A 1 111 ? -0.450 -2.436 13.521 1.00 29.16 0 A 2 +ATOM 873 C CB . TYR A 1 111 ? 0.244 -2.077 16.798 1.00 25.82 0 A 2 +ATOM 874 C CG . TYR A 1 111 ? 0.954 -3.375 16.518 1.00 27.76 0 A 2 +ATOM 875 C CD1 . TYR A 1 111 ? 0.263 -4.480 16.044 1.00 25.95 0 A 2 +ATOM 876 C CD2 . TYR A 1 111 ? 2.332 -3.487 16.692 1.00 25.97 0 A 2 +ATOM 877 C CE1 . TYR A 1 111 ? 0.925 -5.662 15.740 1.00 32.35 0 A 2 +ATOM 878 C CE2 . TYR A 1 111 ? 3.005 -4.658 16.390 1.00 21.03 0 A 2 +ATOM 879 C CZ . TYR A 1 111 ? 2.300 -5.740 15.915 1.00 29.01 0 A 2 +ATOM 880 O OH . TYR A 1 111 ? 2.966 -6.892 15.594 1.00 26.57 0 A 2 +ATOM 881 N N . GLU A 1 112 ? -2.162 -2.175 14.939 1.00 34.78 0 A 2 +ATOM 882 C CA . GLU A 1 112 ? -3.116 -2.924 14.120 1.00 39.41 0 A 2 +ATOM 883 C C . GLU A 1 112 ? -3.372 -2.339 12.746 1.00 37.93 0 A 2 +ATOM 884 O O . GLU A 1 112 ? -3.377 -3.064 11.748 1.00 34.97 0 A 2 +ATOM 885 C CB . GLU A 1 112 ? -4.453 -3.077 14.845 1.00 46.25 0 A 2 +ATOM 886 C CG . GLU A 1 112 ? -4.408 -3.942 16.093 1.00 60.16 0 A 2 +ATOM 887 C CD . GLU A 1 112 ? -3.550 -3.340 17.202 1.00 68.30 0 A 2 +ATOM 888 O OE1 . GLU A 1 112 ? -3.701 -2.133 17.507 1.00 69.80 0 A 2 +ATOM 889 O OE2 . GLU A 1 112 ? -2.715 -4.079 17.775 1.00 71.81 0 A 2 +ATOM 890 N N . ALA A 1 113 ? -3.616 -1.035 12.699 1.00 38.97 0 A 2 +ATOM 891 C CA . ALA A 1 113 ? -3.893 -0.354 11.437 1.00 38.90 0 A 2 +ATOM 892 C C . ALA A 1 113 ? -2.675 -0.154 10.527 1.00 35.73 0 A 2 +ATOM 893 O O . ALA A 1 113 ? -2.758 -0.371 9.316 1.00 34.40 0 A 2 +ATOM 894 C CB . ALA A 1 113 ? -4.586 0.984 11.711 1.00 35.69 0 A 2 +ATOM 895 N N . GLY A 1 114 ? -1.537 0.204 11.105 1.00 33.14 0 A 2 +ATOM 896 C CA . GLY A 1 114 ? -0.369 0.463 10.286 1.00 32.59 0 A 2 +ATOM 897 C C . GLY A 1 114 ? 0.669 -0.617 10.041 1.00 31.61 0 A 2 +ATOM 898 O O . GLY A 1 114 ? 1.575 -0.413 9.225 1.00 34.95 0 A 2 +ATOM 899 N N . LYS A 1 115 ? 0.536 -1.773 10.677 1.00 24.40 0 A 2 +ATOM 900 C CA . LYS A 1 115 ? 1.529 -2.826 10.509 1.00 26.77 0 A 2 +ATOM 901 C C . LYS A 1 115 ? 1.757 -3.208 9.054 1.00 29.74 0 A 2 +ATOM 902 O O . LYS A 1 115 ? 2.900 -3.286 8.609 1.00 35.37 0 A 2 +ATOM 903 C CB . LYS A 1 115 ? 1.161 -4.057 11.337 1.00 28.02 0 A 2 +ATOM 904 C CG . LYS A 1 115 ? 2.303 -5.045 11.560 1.00 23.76 0 A 2 +ATOM 905 C CD . LYS A 1 115 ? 1.820 -6.215 12.379 1.00 22.74 0 A 2 +ATOM 906 C CE . LYS A 1 115 ? 2.829 -7.341 12.421 1.00 23.64 0 A 2 +ATOM 907 N NZ . LYS A 1 115 ? 4.085 -6.942 13.091 1.00 33.60 0 A 2 +ATOM 908 N N . ASP A 1 116 ? 0.686 -3.399 8.291 1.00 34.44 0 A 2 +ATOM 909 C CA . ASP A 1 116 ? 0.836 -3.774 6.879 1.00 33.22 0 A 2 +ATOM 910 C C . ASP A 1 116 ? 1.624 -2.749 6.097 1.00 25.88 0 A 2 +ATOM 911 O O . ASP A 1 116 ? 2.594 -3.068 5.418 1.00 23.26 0 A 2 +ATOM 912 C CB . ASP A 1 116 ? -0.525 -3.968 6.216 1.00 45.11 0 A 2 +ATOM 913 C CG . ASP A 1 116 ? -1.308 -5.128 6.808 1.00 51.52 0 A 2 +ATOM 914 O OD1 . ASP A 1 116 ? -0.687 -6.121 7.244 1.00 54.29 0 A 2 +ATOM 915 O OD2 . ASP A 1 116 ? -2.552 -5.045 6.845 1.00 58.73 0 A 2 +ATOM 916 N N . ASP A 1 117 ? 1.218 -1.499 6.220 1.00 29.35 0 A 2 +ATOM 917 C CA . ASP A 1 117 ? 1.894 -0.437 5.512 1.00 26.52 0 A 2 +ATOM 918 C C . ASP A 1 117 ? 3.340 -0.305 5.949 1.00 22.67 0 A 2 +ATOM 919 O O . ASP A 1 117 ? 4.223 -0.071 5.126 1.00 21.20 0 A 2 +ATOM 920 C CB . ASP A 1 117 ? 1.143 0.875 5.702 1.00 30.38 0 A 2 +ATOM 921 C CG . ASP A 1 117 ? -0.171 0.909 4.930 1.00 36.23 0 A 2 +ATOM 922 O OD1 . ASP A 1 117 ? -0.308 0.191 3.905 1.00 35.08 0 A 2 +ATOM 923 O OD2 . ASP A 1 117 ? -1.068 1.664 5.344 1.00 40.82 0 A 2 +ATOM 924 N N . TYR A 1 118 ? 3.590 -0.538 7.230 1.00 19.95 0 A 2 +ATOM 925 C CA . TYR A 1 118 ? 4.929 -0.427 7.772 1.00 16.19 0 A 2 +ATOM 926 C C . TYR A 1 118 ? 5.828 -1.509 7.184 1.00 21.17 0 A 2 +ATOM 927 O O . TYR A 1 118 ? 6.943 -1.242 6.718 1.00 20.90 0 A 2 +ATOM 928 C CB . TYR A 1 118 ? 4.879 -0.531 9.303 1.00 14.13 0 A 2 +ATOM 929 C CG . TYR A 1 118 ? 6.191 -0.222 9.985 1.00 16.19 0 A 2 +ATOM 930 C CD1 . TYR A 1 118 ? 7.125 -1.222 10.229 1.00 16.18 0 A 2 +ATOM 931 C CD2 . TYR A 1 118 ? 6.507 1.089 10.369 1.00 15.74 0 A 2 +ATOM 932 C CE1 . TYR A 1 118 ? 8.335 -0.928 10.824 1.00 17.42 0 A 2 +ATOM 933 C CE2 . TYR A 1 118 ? 7.721 1.389 10.969 1.00 14.62 0 A 2 +ATOM 934 C CZ . TYR A 1 118 ? 8.629 0.364 11.188 1.00 17.45 0 A 2 +ATOM 935 O OH . TYR A 1 118 ? 9.852 0.607 11.767 1.00 16.68 0 A 2 +ATOM 936 N N . VAL A 1 119 ? 5.325 -2.736 7.204 1.00 26.68 0 A 2 +ATOM 937 C CA . VAL A 1 119 ? 6.063 -3.879 6.693 1.00 27.41 0 A 2 +ATOM 938 C C . VAL A 1 119 ? 6.299 -3.748 5.197 1.00 27.37 0 A 2 +ATOM 939 O O . VAL A 1 119 ? 7.336 -4.173 4.686 1.00 25.57 0 A 2 +ATOM 940 C CB . VAL A 1 119 ? 5.347 -5.199 7.044 1.00 28.54 0 A 2 +ATOM 941 C CG1 . VAL A 1 119 ? 6.012 -6.382 6.335 1.00 27.92 0 A 2 +ATOM 942 C CG2 . VAL A 1 119 ? 5.365 -5.407 8.565 1.00 22.22 0 A 2 +ATOM 943 N N . LYS A 1 120 ? 5.347 -3.139 4.495 1.00 30.82 0 A 2 +ATOM 944 C CA . LYS A 1 120 ? 5.494 -2.933 3.060 1.00 33.93 0 A 2 +ATOM 945 C C . LYS A 1 120 ? 6.619 -1.941 2.804 1.00 29.52 0 A 2 +ATOM 946 O O . LYS A 1 120 ? 7.393 -2.110 1.870 1.00 27.60 0 A 2 +ATOM 947 C CB . LYS A 1 120 ? 4.198 -2.403 2.449 1.00 40.91 0 A 2 +ATOM 948 C CG . LYS A 1 120 ? 3.108 -3.440 2.300 1.00 52.35 0 A 2 +ATOM 949 C CD . LYS A 1 120 ? 1.810 -2.774 1.887 1.00 62.16 0 A 2 +ATOM 950 C CE . LYS A 1 120 ? 0.701 -3.785 1.682 1.00 64.49 0 A 2 +ATOM 951 N NZ . LYS A 1 120 ? -0.624 -3.100 1.579 1.00 71.12 0 A 2 +ATOM 952 N N . ALA A 1 121 ? 6.725 -0.927 3.661 1.00 26.57 0 A 2 +ATOM 953 C CA . ALA A 1 121 ? 7.759 0.091 3.503 1.00 24.50 0 A 2 +ATOM 954 C C . ALA A 1 121 ? 9.126 -0.318 4.023 1.00 20.48 0 A 2 +ATOM 955 O O . ALA A 1 121 ? 10.136 0.236 3.595 1.00 25.32 0 A 2 +ATOM 956 C CB . ALA A 1 121 ? 7.323 1.404 4.156 1.00 21.25 0 A 2 +ATOM 957 N N . LEU A 1 122 ? 9.176 -1.320 4.894 1.00 20.79 0 A 2 +ATOM 958 C CA . LEU A 1 122 ? 10.448 -1.762 5.468 1.00 20.56 0 A 2 +ATOM 959 C C . LEU A 1 122 ? 11.633 -1.938 4.524 1.00 18.57 0 A 2 +ATOM 960 O O . LEU A 1 122 ? 12.688 -1.351 4.753 1.00 26.35 0 A 2 +ATOM 961 C CB . LEU A 1 122 ? 10.285 -3.038 6.311 1.00 18.11 0 A 2 +ATOM 962 C CG . LEU A 1 122 ? 10.430 -2.864 7.826 1.00 21.41 0 A 2 +ATOM 963 C CD1 . LEU A 1 122 ? 10.673 -4.227 8.478 1.00 19.12 0 A 2 +ATOM 964 C CD2 . LEU A 1 122 ? 11.579 -1.909 8.140 1.00 10.04 0 A 2 +ATOM 965 N N . PRO A 1 123 ? 11.488 -2.728 3.451 1.00 18.53 0 A 2 +ATOM 966 C CA . PRO A 1 123 ? 12.606 -2.923 2.529 1.00 17.86 0 A 2 +ATOM 967 C C . PRO A 1 123 ? 13.363 -1.626 2.214 1.00 19.01 0 A 2 +ATOM 968 O O . PRO A 1 123 ? 14.598 -1.564 2.328 1.00 19.65 0 A 2 +ATOM 969 C CB . PRO A 1 123 ? 11.924 -3.498 1.290 1.00 19.69 0 A 2 +ATOM 970 C CG . PRO A 1 123 ? 10.831 -4.290 1.868 1.00 13.62 0 A 2 +ATOM 971 C CD . PRO A 1 123 ? 10.272 -3.387 2.930 1.00 16.52 0 A 2 +ATOM 972 N N . GLY A 1 124 ? 12.609 -0.585 1.873 1.00 16.44 0 A 2 +ATOM 973 C CA . GLY A 1 124 ? 13.206 0.699 1.552 1.00 19.77 0 A 2 +ATOM 974 C C . GLY A 1 124 ? 13.901 1.365 2.728 1.00 20.03 0 A 2 +ATOM 975 O O . GLY A 1 124 ? 14.868 2.093 2.539 1.00 22.98 0 A 2 +ATOM 976 N N . GLN A 1 125 ? 13.419 1.099 3.939 1.00 17.30 0 A 2 +ATOM 977 C CA . GLN A 1 125 ? 14.008 1.672 5.144 1.00 16.24 0 A 2 +ATOM 978 C C . GLN A 1 125 ? 15.279 0.938 5.550 1.00 15.26 0 A 2 +ATOM 979 O O . GLN A 1 125 ? 16.153 1.506 6.210 1.00 19.15 0 A 2 +ATOM 980 C CB . GLN A 1 125 ? 13.011 1.614 6.294 1.00 16.01 0 A 2 +ATOM 981 C CG . GLN A 1 125 ? 11.735 2.372 6.034 1.00 17.50 0 A 2 +ATOM 982 C CD . GLN A 1 125 ? 11.980 3.851 5.849 1.00 24.85 0 A 2 +ATOM 983 N NE2 . GLN A 1 125 ? 12.709 4.445 6.778 1.00 25.77 0 A 2 +ATOM 984 O OE1 . GLN A 1 125 ? 11.518 4.456 4.883 1.00 28.68 0 A 2 +ATOM 985 N N . LEU A 1 126 ? 15.370 -0.335 5.184 1.00 16.33 0 A 2 +ATOM 986 C CA . LEU A 1 126 ? 16.536 -1.148 5.520 1.00 17.45 0 A 2 +ATOM 987 C C . LEU A 1 126 ? 17.615 -1.028 4.469 1.00 18.14 0 A 2 +ATOM 988 O O . LEU A 1 126 ? 18.805 -1.101 4.784 1.00 25.46 0 A 2 +ATOM 989 C CB . LEU A 1 126 ? 16.136 -2.615 5.683 1.00 16.46 0 A 2 +ATOM 990 C CG . LEU A 1 126 ? 15.171 -2.918 6.825 1.00 20.15 0 A 2 +ATOM 991 C CD1 . LEU A 1 126 ? 14.774 -4.400 6.819 1.00 17.45 0 A 2 +ATOM 992 C CD2 . LEU A 1 126 ? 15.814 -2.517 8.149 1.00 14.62 0 A 2 +ATOM 993 N N . LYS A 1 127 ? 17.202 -0.839 3.220 1.00 17.93 0 A 2 +ATOM 994 C CA . LYS A 1 127 ? 18.111 -0.701 2.090 1.00 18.57 0 A 2 +ATOM 995 C C . LYS A 1 127 ? 19.342 0.168 2.349 1.00 20.23 0 A 2 +ATOM 996 O O . LYS A 1 127 ? 20.460 -0.195 1.955 1.00 21.96 0 A 2 +ATOM 997 C CB . LYS A 1 127 ? 17.356 -0.161 0.881 1.00 25.83 0 A 2 +ATOM 998 C CG . LYS A 1 127 ? 17.391 -1.064 -0.338 1.00 37.54 0 A 2 +ATOM 999 C CD . LYS A 1 127 ? 16.347 -0.631 -1.354 1.00 44.78 0 A 2 +ATOM 1000 C CE . LYS A 1 127 ? 16.233 -1.618 -2.502 1.00 50.61 0 A 2 +ATOM 1001 N NZ . LYS A 1 127 ? 15.004 -1.334 -3.295 1.00 54.16 0 A 2 +ATOM 1002 N N . PRO A 1 128 ? 19.167 1.340 2.993 1.00 21.41 0 A 2 +ATOM 1003 C CA . PRO A 1 128 ? 20.328 2.203 3.261 1.00 17.21 0 A 2 +ATOM 1004 C C . PRO A 1 128 ? 21.460 1.535 4.063 1.00 14.30 0 A 2 +ATOM 1005 O O . PRO A 1 128 ? 22.645 1.771 3.794 1.00 17.45 0 A 2 +ATOM 1006 C CB . PRO A 1 128 ? 19.714 3.369 4.031 1.00 17.18 0 A 2 +ATOM 1007 C CG . PRO A 1 128 ? 18.353 3.474 3.431 1.00 17.64 0 A 2 +ATOM 1008 C CD . PRO A 1 128 ? 17.918 2.029 3.374 1.00 16.09 0 A 2 +ATOM 1009 N N . PHE A 1 129 ? 21.102 0.666 5.003 1.00 13.97 0 A 2 +ATOM 1010 C CA . PHE A 1 129 ? 22.106 -0.004 5.832 1.00 15.11 0 A 2 +ATOM 1011 C C . PHE A 1 129 ? 22.828 -1.112 5.089 1.00 15.41 0 A 2 +ATOM 1012 O O . PHE A 1 129 ? 24.017 -1.340 5.312 1.00 16.71 0 A 2 +ATOM 1013 C CB . PHE A 1 129 ? 21.464 -0.488 7.131 1.00 14.45 0 A 2 +ATOM 1014 C CG . PHE A 1 129 ? 20.779 0.612 7.873 1.00 18.90 0 A 2 +ATOM 1015 C CD1 . PHE A 1 129 ? 21.517 1.561 8.584 1.00 19.40 0 A 2 +ATOM 1016 C CD2 . PHE A 1 129 ? 19.401 0.763 7.788 1.00 19.14 0 A 2 +ATOM 1017 C CE1 . PHE A 1 129 ? 20.881 2.654 9.187 1.00 18.63 0 A 2 +ATOM 1018 C CE2 . PHE A 1 129 ? 18.755 1.857 8.386 1.00 18.95 0 A 2 +ATOM 1019 C CZ . PHE A 1 129 ? 19.496 2.803 9.089 1.00 7.59 0 A 2 +ATOM 1020 N N . GLU A 1 130 ? 22.124 -1.751 4.162 1.00 17.31 0 A 2 +ATOM 1021 C CA . GLU A 1 130 ? 22.704 -2.805 3.331 1.00 20.93 0 A 2 +ATOM 1022 C C . GLU A 1 130 ? 23.737 -2.124 2.394 1.00 20.50 0 A 2 +ATOM 1023 O O . GLU A 1 130 ? 24.892 -2.571 2.268 1.00 20.68 0 A 2 +ATOM 1024 C CB . GLU A 1 130 ? 21.587 -3.509 2.546 1.00 18.29 0 A 2 +ATOM 1025 C CG . GLU A 1 130 ? 22.029 -4.629 1.599 1.00 21.84 0 A 2 +ATOM 1026 C CD . GLU A 1 130 ? 22.492 -5.909 2.287 1.00 22.93 0 A 2 +ATOM 1027 O OE1 . GLU A 1 130 ? 22.473 -5.983 3.533 1.00 26.14 0 A 2 +ATOM 1028 O OE2 . GLU A 1 130 ? 22.880 -6.851 1.561 1.00 23.95 0 A 2 +ATOM 1029 N N . THR A 1 131 ? 23.343 -0.986 1.831 1.00 19.13 0 A 2 +ATOM 1030 C CA . THR A 1 131 ? 24.196 -0.209 0.941 1.00 18.96 0 A 2 +ATOM 1031 C C . THR A 1 131 ? 25.465 0.226 1.661 1.00 16.89 0 A 2 +ATOM 1032 O O . THR A 1 131 ? 26.567 0.089 1.127 1.00 24.80 0 A 2 +ATOM 1033 C CB . THR A 1 131 ? 23.459 1.035 0.418 1.00 22.34 0 A 2 +ATOM 1034 C CG2 . THR A 1 131 ? 24.323 1.799 -0.577 1.00 24.70 0 A 2 +ATOM 1035 O OG1 . THR A 1 131 ? 22.239 0.624 -0.214 1.00 21.08 0 A 2 +ATOM 1036 N N . LEU A 1 132 ? 25.300 0.771 2.862 1.00 15.24 0 A 2 +ATOM 1037 C CA . LEU A 1 132 ? 26.425 1.204 3.689 1.00 18.82 0 A 2 +ATOM 1038 C C . LEU A 1 132 ? 27.404 0.046 3.835 1.00 23.43 0 A 2 +ATOM 1039 O O . LEU A 1 132 ? 28.625 0.205 3.669 1.00 26.11 0 A 2 +ATOM 1040 C CB . LEU A 1 132 ? 25.916 1.589 5.075 1.00 16.26 0 A 2 +ATOM 1041 C CG . LEU A 1 132 ? 25.371 3.005 5.159 1.00 17.65 0 A 2 +ATOM 1042 C CD1 . LEU A 1 132 ? 24.541 3.203 6.404 1.00 11.78 0 A 2 +ATOM 1043 C CD2 . LEU A 1 132 ? 26.549 3.959 5.138 1.00 18.72 0 A 2 +ATOM 1044 N N . LEU A 1 133 ? 26.841 -1.123 4.118 1.00 22.15 0 A 2 +ATOM 1045 C CA . LEU A 1 133 ? 27.624 -2.335 4.289 1.00 25.34 0 A 2 +ATOM 1046 C C . LEU A 1 133 ? 28.407 -2.706 3.023 1.00 23.05 0 A 2 +ATOM 1047 O O . LEU A 1 133 ? 29.600 -2.994 3.099 1.00 27.63 0 A 2 +ATOM 1048 C CB . LEU A 1 133 ? 26.698 -3.472 4.695 1.00 21.69 0 A 2 +ATOM 1049 C CG . LEU A 1 133 ? 26.997 -4.200 5.999 1.00 23.31 0 A 2 +ATOM 1050 C CD1 . LEU A 1 133 ? 27.700 -3.282 6.980 1.00 17.10 0 A 2 +ATOM 1051 C CD2 . LEU A 1 133 ? 25.682 -4.736 6.569 1.00 14.40 0 A 2 +ATOM 1052 N N . SER A 1 134 ? 27.761 -2.660 1.858 1.00 20.70 0 A 2 +ATOM 1053 C CA . SER A 1 134 ? 28.450 -3.004 0.617 1.00 20.46 0 A 2 +ATOM 1054 C C . SER A 1 134 ? 29.585 -2.046 0.288 1.00 20.87 0 A 2 +ATOM 1055 O O . SER A 1 134 ? 30.473 -2.382 -0.500 1.00 21.25 0 A 2 +ATOM 1056 C CB . SER A 1 134 ? 27.477 -3.046 -0.556 1.00 19.60 0 A 2 +ATOM 1057 O OG . SER A 1 134 ? 26.987 -1.759 -0.856 1.00 31.77 0 A 2 +ATOM 1058 N N . GLN A 1 135 ? 29.552 -0.847 0.866 1.00 24.07 0 A 2 +ATOM 1059 C CA . GLN A 1 135 ? 30.610 0.134 0.599 1.00 23.11 0 A 2 +ATOM 1060 C C . GLN A 1 135 ? 31.778 0.042 1.574 1.00 21.26 0 A 2 +ATOM 1061 O O . GLN A 1 135 ? 32.792 0.717 1.412 1.00 24.65 0 A 2 +ATOM 1062 C CB . GLN A 1 135 ? 30.028 1.539 0.597 1.00 22.43 0 A 2 +ATOM 1063 C CG . GLN A 1 135 ? 29.009 1.736 -0.491 1.00 25.74 0 A 2 +ATOM 1064 C CD . GLN A 1 135 ? 28.144 2.946 -0.247 1.00 34.49 0 A 2 +ATOM 1065 N NE2 . GLN A 1 135 ? 27.409 3.359 -1.273 1.00 31.85 0 A 2 +ATOM 1066 O OE1 . GLN A 1 135 ? 28.126 3.505 0.852 1.00 35.27 0 A 2 +ATOM 1067 N N . ASN A 1 136 ? 31.654 -0.824 2.570 1.00 26.24 0 A 2 +ATOM 1068 C CA . ASN A 1 136 ? 32.697 -0.987 3.565 1.00 23.91 0 A 2 +ATOM 1069 C C . ASN A 1 136 ? 33.199 -2.428 3.613 1.00 23.19 0 A 2 +ATOM 1070 O O . ASN A 1 136 ? 32.666 -3.261 4.332 1.00 20.02 0 A 2 +ATOM 1071 C CB . ASN A 1 136 ? 32.169 -0.546 4.936 1.00 23.14 0 A 2 +ATOM 1072 C CG . ASN A 1 136 ? 33.213 -0.655 6.033 1.00 18.43 0 A 2 +ATOM 1073 N ND2 . ASN A 1 136 ? 34.479 -0.471 5.676 1.00 18.88 0 A 2 +ATOM 1074 O OD1 . ASN A 1 136 ? 32.882 -0.845 7.200 1.00 22.95 0 A 2 +ATOM 1075 N N . GLN A 1 137 ? 34.226 -2.715 2.818 1.00 30.48 0 A 2 +ATOM 1076 C CA . GLN A 1 137 ? 34.833 -4.043 2.752 1.00 35.38 0 A 2 +ATOM 1077 C C . GLN A 1 137 ? 33.843 -5.159 2.476 1.00 34.39 0 A 2 +ATOM 1078 O O . GLN A 1 137 ? 33.921 -6.233 3.067 1.00 35.83 0 A 2 +ATOM 1079 C CB . GLN A 1 137 ? 35.613 -4.374 4.026 1.00 40.71 0 A 2 +ATOM 1080 C CG . GLN A 1 137 ? 36.799 -3.479 4.283 1.00 49.70 0 A 2 +ATOM 1081 C CD . GLN A 1 137 ? 37.728 -4.051 5.324 1.00 56.20 0 A 2 +ATOM 1082 N NE2 . GLN A 1 137 ? 38.935 -4.409 4.899 1.00 63.16 0 A 2 +ATOM 1083 O OE1 . GLN A 1 137 ? 37.369 -4.182 6.496 1.00 59.11 0 A 2 +ATOM 1084 N N . GLY A 1 138 ? 32.884 -4.876 1.608 1.00 32.06 0 A 2 +ATOM 1085 C CA . GLY A 1 138 ? 31.899 -5.878 1.250 1.00 31.36 0 A 2 +ATOM 1086 C C . GLY A 1 138 ? 31.026 -6.338 2.387 1.00 27.95 0 A 2 +ATOM 1087 O O . GLY A 1 138 ? 30.523 -7.457 2.365 1.00 32.30 0 A 2 +ATOM 1088 N N . GLY A 1 139 ? 30.857 -5.486 3.392 1.00 27.76 0 A 2 +ATOM 1089 C CA . GLY A 1 139 ? 30.020 -5.833 4.524 1.00 29.62 0 A 2 +ATOM 1090 C C . GLY A 1 139 ? 30.588 -6.928 5.403 1.00 30.31 0 A 2 +ATOM 1091 O O . GLY A 1 139 ? 29.869 -7.526 6.204 1.00 32.63 0 A 2 +ATOM 1092 N N . LYS A 1 140 ? 31.885 -7.171 5.289 1.00 31.25 0 A 2 +ATOM 1093 C CA . LYS A 1 140 ? 32.532 -8.209 6.075 1.00 28.63 0 A 2 +ATOM 1094 C C . LYS A 1 140 ? 32.838 -7.832 7.521 1.00 25.10 0 A 2 +ATOM 1095 O O . LYS A 1 140 ? 32.866 -8.706 8.386 1.00 23.68 0 A 2 +ATOM 1096 C CB . LYS A 1 140 ? 33.816 -8.664 5.374 1.00 38.49 0 A 2 +ATOM 1097 C CG . LYS A 1 140 ? 33.786 -10.103 4.893 1.00 45.35 0 A 2 +ATOM 1098 C CD . LYS A 1 140 ? 32.569 -10.374 4.024 1.00 54.87 0 A 2 +ATOM 1099 C CE . LYS A 1 140 ? 32.462 -11.855 3.683 1.00 61.70 0 A 2 +ATOM 1100 N NZ . LYS A 1 140 ? 31.275 -12.116 2.828 1.00 63.75 0 A 2 +ATOM 1101 N N . THR A 1 141 ? 33.077 -6.549 7.791 1.00 22.30 0 A 2 +ATOM 1102 C CA . THR A 1 141 ? 33.420 -6.137 9.145 1.00 22.12 0 A 2 +ATOM 1103 C C . THR A 1 141 ? 32.312 -5.438 9.931 1.00 24.90 0 A 2 +ATOM 1104 O O . THR A 1 141 ? 31.436 -6.116 10.479 1.00 20.04 0 A 2 +ATOM 1105 C CB . THR A 1 141 ? 34.715 -5.304 9.166 1.00 20.16 0 A 2 +ATOM 1106 C CG2 . THR A 1 141 ? 35.896 -6.148 8.686 1.00 19.92 0 A 2 +ATOM 1107 O OG1 . THR A 1 141 ? 34.566 -4.176 8.302 1.00 24.19 0 A 2 +ATOM 1108 N N . PHE A 1 142 ? 32.322 -4.104 9.972 1.00 24.06 0 A 2 +ATOM 1109 C CA . PHE A 1 142 ? 31.328 -3.350 10.737 1.00 14.11 0 A 2 +ATOM 1110 C C . PHE A 1 142 ? 30.607 -2.332 9.878 1.00 13.22 0 A 2 +ATOM 1111 O O . PHE A 1 142 ? 30.921 -2.193 8.699 1.00 18.13 0 A 2 +ATOM 1112 C CB . PHE A 1 142 ? 32.006 -2.701 11.949 1.00 8.66 0 A 2 +ATOM 1113 C CG . PHE A 1 142 ? 32.659 -3.701 12.861 1.00 11.23 0 A 2 +ATOM 1114 C CD1 . PHE A 1 142 ? 31.893 -4.490 13.713 1.00 15.29 0 A 2 +ATOM 1115 C CD2 . PHE A 1 142 ? 34.025 -3.897 12.830 1.00 9.81 0 A 2 +ATOM 1116 C CE1 . PHE A 1 142 ? 32.484 -5.461 14.521 1.00 16.60 0 A 2 +ATOM 1117 C CE2 . PHE A 1 142 ? 34.624 -4.866 13.630 1.00 11.20 0 A 2 +ATOM 1118 C CZ . PHE A 1 142 ? 33.852 -5.646 14.476 1.00 13.77 0 A 2 +ATOM 1119 N N . ILE A 1 143 ? 29.658 -1.605 10.451 1.00 11.57 0 A 2 +ATOM 1120 C CA . ILE A 1 143 ? 28.908 -0.637 9.658 1.00 14.47 0 A 2 +ATOM 1121 C C . ILE A 1 143 ? 29.769 0.510 9.124 1.00 13.79 0 A 2 +ATOM 1122 O O . ILE A 1 143 ? 29.466 1.091 8.084 1.00 17.62 0 A 2 +ATOM 1123 C CB . ILE A 1 143 ? 27.650 -0.116 10.399 1.00 13.56 0 A 2 +ATOM 1124 C CG1 . ILE A 1 143 ? 26.737 0.599 9.404 1.00 10.06 0 A 2 +ATOM 1125 C CG2 . ILE A 1 143 ? 28.024 0.808 11.544 1.00 8.18 0 A 2 +ATOM 1126 C CD1 . ILE A 1 143 ? 26.239 -0.283 8.277 1.00 15.67 0 A 2 +ATOM 1127 N N . VAL A 1 144 ? 30.832 0.835 9.851 1.00 15.47 0 A 2 +ATOM 1128 C CA . VAL A 1 144 ? 31.761 1.887 9.457 1.00 14.78 0 A 2 +ATOM 1129 C C . VAL A 1 144 ? 33.159 1.483 9.906 1.00 15.71 0 A 2 +ATOM 1130 O O . VAL A 1 144 ? 33.374 1.188 11.086 1.00 18.76 0 A 2 +ATOM 1131 C CB . VAL A 1 144 ? 31.440 3.242 10.136 1.00 16.32 0 A 2 +ATOM 1132 C CG1 . VAL A 1 144 ? 32.579 4.231 9.909 1.00 15.35 0 A 2 +ATOM 1133 C CG2 . VAL A 1 144 ? 30.136 3.812 9.599 1.00 11.41 0 A 2 +ATOM 1134 N N . GLY A 1 145 ? 34.103 1.502 8.971 1.00 15.97 0 A 2 +ATOM 1135 C CA . GLY A 1 145 ? 35.481 1.156 9.290 1.00 14.24 0 A 2 +ATOM 1136 C C . GLY A 1 145 ? 35.681 -0.309 9.604 1.00 16.29 0 A 2 +ATOM 1137 O O . GLY A 1 145 ? 34.833 -1.146 9.288 1.00 18.65 0 A 2 +ATOM 1138 N N . ASP A 1 146 ? 36.803 -0.641 10.230 1.00 22.54 0 A 2 +ATOM 1139 C CA . ASP A 1 146 ? 37.084 -2.034 10.565 1.00 30.65 0 A 2 +ATOM 1140 C C . ASP A 1 146 ? 37.012 -2.371 12.047 1.00 29.65 0 A 2 +ATOM 1141 O O . ASP A 1 146 ? 37.369 -3.471 12.458 1.00 28.68 0 A 2 +ATOM 1142 C CB . ASP A 1 146 ? 38.444 -2.452 9.997 1.00 37.31 0 A 2 +ATOM 1143 C CG . ASP A 1 146 ? 39.569 -1.497 10.380 1.00 43.55 0 A 2 +ATOM 1144 O OD1 . ASP A 1 146 ? 39.509 -0.880 11.465 1.00 45.41 0 A 2 +ATOM 1145 O OD2 . ASP A 1 146 ? 40.525 -1.373 9.585 1.00 49.65 0 A 2 +ATOM 1146 N N . GLN A 1 147 ? 36.566 -1.413 12.850 1.00 28.56 0 A 2 +ATOM 1147 C CA . GLN A 1 147 ? 36.437 -1.614 14.285 1.00 25.18 0 A 2 +ATOM 1148 C C . GLN A 1 147 ? 34.977 -1.342 14.611 1.00 20.70 0 A 2 +ATOM 1149 O O . GLN A 1 147 ? 34.332 -0.547 13.936 1.00 11.29 0 A 2 +ATOM 1150 C CB . GLN A 1 147 ? 37.355 -0.657 15.048 1.00 29.51 0 A 2 +ATOM 1151 C CG . GLN A 1 147 ? 37.255 0.793 14.573 1.00 46.36 0 A 2 +ATOM 1152 C CD . GLN A 1 147 ? 38.002 1.785 15.456 1.00 50.66 0 A 2 +ATOM 1153 N NE2 . GLN A 1 147 ? 37.448 2.065 16.635 1.00 48.79 0 A 2 +ATOM 1154 O OE1 . GLN A 1 147 ? 39.046 2.323 15.061 1.00 49.66 0 A 2 +ATOM 1155 N N . ILE A 1 148 ? 34.457 -2.013 15.631 1.00 22.06 0 A 2 +ATOM 1156 C CA . ILE A 1 148 ? 33.054 -1.843 16.015 1.00 21.02 0 A 2 +ATOM 1157 C C . ILE A 1 148 ? 32.782 -0.468 16.629 1.00 19.78 0 A 2 +ATOM 1158 O O . ILE A 1 148 ? 33.680 0.122 17.231 1.00 20.36 0 A 2 +ATOM 1159 C CB . ILE A 1 148 ? 32.631 -2.963 16.989 1.00 21.27 0 A 2 +ATOM 1160 C CG1 . ILE A 1 148 ? 31.124 -3.190 16.887 1.00 17.36 0 A 2 +ATOM 1161 C CG2 . ILE A 1 148 ? 33.044 -2.623 18.431 1.00 18.05 0 A 2 +ATOM 1162 C CD1 . ILE A 1 148 ? 30.646 -4.458 17.539 1.00 11.65 0 A 2 +ATOM 1163 N N . SER A 1 149 ? 31.542 0.024 16.513 1.00 16.67 0 A 2 +ATOM 1164 C CA . SER A 1 149 ? 31.172 1.333 17.051 1.00 11.93 0 A 2 +ATOM 1165 C C . SER A 1 149 ? 29.793 1.262 17.661 1.00 12.08 0 A 2 +ATOM 1166 O O . SER A 1 149 ? 29.045 0.330 17.380 1.00 17.21 0 A 2 +ATOM 1167 C CB . SER A 1 149 ? 31.178 2.388 15.951 1.00 13.43 0 A 2 +ATOM 1168 O OG . SER A 1 149 ? 30.105 2.181 15.059 1.00 19.78 0 A 2 +ATOM 1169 N N . PHE A 1 150 ? 29.411 2.276 18.430 1.00 15.90 0 A 2 +ATOM 1170 C CA . PHE A 1 150 ? 28.100 2.264 19.078 1.00 14.28 0 A 2 +ATOM 1171 C C . PHE A 1 150 ? 26.984 2.146 18.057 1.00 15.07 0 A 2 +ATOM 1172 O O . PHE A 1 150 ? 25.911 1.611 18.356 1.00 18.45 0 A 2 +ATOM 1173 C CB . PHE A 1 150 ? 27.900 3.504 19.979 1.00 6.01 0 A 2 +ATOM 1174 C CG . PHE A 1 150 ? 27.835 4.803 19.227 1.00 10.24 0 A 2 +ATOM 1175 C CD1 . PHE A 1 150 ? 28.993 5.524 18.968 1.00 7.79 0 A 2 +ATOM 1176 C CD2 . PHE A 1 150 ? 26.621 5.314 18.794 1.00 11.20 0 A 2 +ATOM 1177 C CE1 . PHE A 1 150 ? 28.942 6.723 18.292 1.00 4.86 0 A 2 +ATOM 1178 C CE2 . PHE A 1 150 ? 26.570 6.524 18.106 1.00 12.43 0 A 2 +ATOM 1179 C CZ . PHE A 1 150 ? 27.730 7.230 17.862 1.00 6.22 0 A 2 +ATOM 1180 N N . ALA A 1 151 ? 27.238 2.628 16.845 1.00 14.67 0 A 2 +ATOM 1181 C CA . ALA A 1 151 ? 26.234 2.566 15.793 1.00 9.86 0 A 2 +ATOM 1182 C C . ALA A 1 151 ? 25.937 1.113 15.461 1.00 13.64 0 A 2 +ATOM 1183 O O . ALA A 1 151 ? 24.796 0.773 15.153 1.00 18.49 0 A 2 +ATOM 1184 C CB . ALA A 1 151 ? 26.692 3.288 14.567 1.00 8.29 0 A 2 +ATOM 1185 N N . ASP A 1 152 ? 26.941 0.252 15.579 1.00 12.74 0 A 2 +ATOM 1186 C CA . ASP A 1 152 ? 26.762 -1.168 15.285 1.00 13.75 0 A 2 +ATOM 1187 C C . ASP A 1 152 ? 25.723 -1.790 16.213 1.00 15.55 0 A 2 +ATOM 1188 O O . ASP A 1 152 ? 24.763 -2.407 15.748 1.00 16.12 0 A 2 +ATOM 1189 C CB . ASP A 1 152 ? 28.078 -1.926 15.465 1.00 15.38 0 A 2 +ATOM 1190 C CG . ASP A 1 152 ? 29.038 -1.733 14.308 1.00 17.05 0 A 2 +ATOM 1191 O OD1 . ASP A 1 152 ? 28.714 -2.155 13.187 1.00 17.90 0 A 2 +ATOM 1192 O OD2 . ASP A 1 152 ? 30.124 -1.165 14.518 1.00 20.46 0 A 2 +ATOM 1193 N N . TYR A 1 153 ? 25.924 -1.607 17.522 1.00 13.19 0 A 2 +ATOM 1194 C CA . TYR A 1 153 ? 25.040 -2.154 18.555 1.00 10.85 0 A 2 +ATOM 1195 C C . TYR A 1 153 ? 23.624 -1.621 18.398 1.00 12.72 0 A 2 +ATOM 1196 O O . TYR A 1 153 ? 22.663 -2.385 18.525 1.00 12.65 0 A 2 +ATOM 1197 C CB . TYR A 1 153 ? 25.591 -1.855 19.966 1.00 11.09 0 A 2 +ATOM 1198 C CG . TYR A 1 153 ? 26.973 -2.455 20.291 1.00 15.15 0 A 2 +ATOM 1199 C CD1 . TYR A 1 153 ? 27.119 -3.785 20.694 1.00 10.58 0 A 2 +ATOM 1200 C CD2 . TYR A 1 153 ? 28.127 -1.668 20.249 1.00 12.66 0 A 2 +ATOM 1201 C CE1 . TYR A 1 153 ? 28.373 -4.302 21.046 1.00 8.48 0 A 2 +ATOM 1202 C CE2 . TYR A 1 153 ? 29.370 -2.180 20.595 1.00 10.43 0 A 2 +ATOM 1203 C CZ . TYR A 1 153 ? 29.481 -3.491 20.981 1.00 11.25 0 A 2 +ATOM 1204 O OH . TYR A 1 153 ? 30.746 -3.941 21.243 1.00 19.43 0 A 2 +ATOM 1205 N N . ASN A 1 154 ? 23.506 -0.356 18.001 1.00 13.16 0 A 2 +ATOM 1206 C CA . ASN A 1 154 ? 22.192 0.264 17.795 1.00 11.86 0 A 2 +ATOM 1207 C C . ASN A 1 154 ? 21.528 -0.320 16.539 1.00 11.31 0 A 2 +ATOM 1208 O O . ASN A 1 154 ? 20.362 -0.729 16.575 1.00 11.43 0 A 2 +ATOM 1209 C CB . ASN A 1 154 ? 22.323 1.777 17.674 1.00 11.48 0 A 2 +ATOM 1210 C CG . ASN A 1 154 ? 21.061 2.502 18.071 1.00 14.75 0 A 2 +ATOM 1211 N ND2 . ASN A 1 154 ? 20.086 1.768 18.591 1.00 6.38 0 A 2 +ATOM 1212 O OD1 . ASN A 1 154 ? 20.976 3.725 17.955 1.00 21.70 0 A 2 +ATOM 1213 N N . LEU A 1 155 ? 22.292 -0.416 15.455 1.00 13.15 0 A 2 +ATOM 1214 C CA . LEU A 1 155 ? 21.775 -0.982 14.209 1.00 14.55 0 A 2 +ATOM 1215 C C . LEU A 1 155 ? 21.429 -2.460 14.418 1.00 14.03 0 A 2 +ATOM 1216 O O . LEU A 1 155 ? 20.401 -2.931 13.936 1.00 19.73 0 A 2 +ATOM 1217 C CB . LEU A 1 155 ? 22.797 -0.857 13.078 1.00 15.19 0 A 2 +ATOM 1218 C CG . LEU A 1 155 ? 22.381 -1.556 11.776 1.00 13.54 0 A 2 +ATOM 1219 C CD1 . LEU A 1 155 ? 21.102 -0.951 11.237 1.00 18.54 0 A 2 +ATOM 1220 C CD2 . LEU A 1 155 ? 23.469 -1.446 10.753 1.00 10.60 0 A 2 +ATOM 1221 N N . LEU A 1 156 ? 22.269 -3.177 15.159 1.00 10.91 0 A 2 +ATOM 1222 C CA . LEU A 1 156 ? 22.024 -4.587 15.426 1.00 12.78 0 A 2 +ATOM 1223 C C . LEU A 1 156 ? 20.675 -4.731 16.106 1.00 12.99 0 A 2 +ATOM 1224 O O . LEU A 1 156 ? 19.826 -5.500 15.666 1.00 16.51 0 A 2 +ATOM 1225 C CB . LEU A 1 156 ? 23.117 -5.169 16.324 1.00 14.51 0 A 2 +ATOM 1226 C CG . LEU A 1 156 ? 22.848 -6.627 16.722 1.00 14.61 0 A 2 +ATOM 1227 C CD1 . LEU A 1 156 ? 22.664 -7.464 15.471 1.00 4.81 0 A 2 +ATOM 1228 C CD2 . LEU A 1 156 ? 23.987 -7.164 17.578 1.00 12.07 0 A 2 +ATOM 1229 N N . ASP A 1 157 ? 20.453 -3.945 17.149 1.00 13.61 0 A 2 +ATOM 1230 C CA . ASP A 1 157 ? 19.191 -4.004 17.864 1.00 11.27 0 A 2 +ATOM 1231 C C . ASP A 1 157 ? 18.033 -3.691 16.946 1.00 8.71 0 A 2 +ATOM 1232 O O . ASP A 1 157 ? 17.021 -4.393 16.956 1.00 14.18 0 A 2 +ATOM 1233 C CB . ASP A 1 157 ? 19.177 -3.050 19.057 1.00 12.35 0 A 2 +ATOM 1234 C CG . ASP A 1 157 ? 17.883 -3.127 19.835 1.00 16.63 0 A 2 +ATOM 1235 O OD1 . ASP A 1 157 ? 17.596 -4.206 20.393 1.00 20.35 0 A 2 +ATOM 1236 O OD2 . ASP A 1 157 ? 17.135 -2.129 19.859 1.00 19.29 0 A 2 +ATOM 1237 N N . LEU A 1 158 ? 18.174 -2.642 16.143 1.00 8.50 0 A 2 +ATOM 1238 C CA . LEU A 1 158 ? 17.119 -2.259 15.222 1.00 12.15 0 A 2 +ATOM 1239 C C . LEU A 1 158 ? 16.764 -3.488 14.380 1.00 11.76 0 A 2 +ATOM 1240 O O . LEU A 1 158 ? 15.597 -3.880 14.267 1.00 15.38 0 A 2 +ATOM 1241 C CB . LEU A 1 158 ? 17.612 -1.136 14.310 1.00 9.73 0 A 2 +ATOM 1242 C CG . LEU A 1 158 ? 16.573 -0.495 13.396 1.00 14.65 0 A 2 +ATOM 1243 C CD1 . LEU A 1 158 ? 15.553 0.229 14.248 1.00 12.92 0 A 2 +ATOM 1244 C CD2 . LEU A 1 158 ? 17.250 0.479 12.423 1.00 16.13 0 A 2 +ATOM 1245 N N . LEU A 1 159 ? 17.796 -4.111 13.830 1.00 12.20 0 A 2 +ATOM 1246 C CA . LEU A 1 159 ? 17.623 -5.282 12.990 1.00 10.97 0 A 2 +ATOM 1247 C C . LEU A 1 159 ? 16.921 -6.386 13.761 1.00 13.12 0 A 2 +ATOM 1248 O O . LEU A 1 159 ? 15.886 -6.886 13.321 1.00 17.52 0 A 2 +ATOM 1249 C CB . LEU A 1 159 ? 18.977 -5.754 12.449 1.00 6.80 0 A 2 +ATOM 1250 C CG . LEU A 1 159 ? 19.628 -4.708 11.534 1.00 8.80 0 A 2 +ATOM 1251 C CD1 . LEU A 1 159 ? 20.974 -5.190 11.044 1.00 3.64 0 A 2 +ATOM 1252 C CD2 . LEU A 1 159 ? 18.701 -4.368 10.358 1.00 7.07 0 A 2 +ATOM 1253 N N . LEU A 1 160 ? 17.422 -6.703 14.945 1.00 15.08 0 A 2 +ATOM 1254 C CA . LEU A 1 160 ? 16.808 -7.741 15.745 1.00 14.96 0 A 2 +ATOM 1255 C C . LEU A 1 160 ? 15.324 -7.509 15.981 1.00 18.02 0 A 2 +ATOM 1256 O O . LEU A 1 160 ? 14.501 -8.377 15.667 1.00 21.87 0 A 2 +ATOM 1257 C CB . LEU A 1 160 ? 17.524 -7.889 17.090 1.00 12.66 0 A 2 +ATOM 1258 C CG . LEU A 1 160 ? 18.942 -8.468 17.007 1.00 13.90 0 A 2 +ATOM 1259 C CD1 . LEU A 1 160 ? 19.583 -8.420 18.375 1.00 14.44 0 A 2 +ATOM 1260 C CD2 . LEU A 1 160 ? 18.910 -9.897 16.485 1.00 8.80 0 A 2 +ATOM 1261 N N . ILE A 1 161 ? 14.956 -6.317 16.440 1.00 21.24 0 A 2 +ATOM 1262 C CA . ILE A 1 161 ? 13.539 -6.078 16.734 1.00 20.05 0 A 2 +ATOM 1263 C C . ILE A 1 161 ? 12.690 -6.137 15.483 1.00 17.90 0 A 2 +ATOM 1264 O O . ILE A 1 161 ? 11.517 -6.497 15.543 1.00 15.99 0 A 2 +ATOM 1265 C CB . ILE A 1 161 ? 13.281 -4.749 17.483 1.00 15.47 0 A 2 +ATOM 1266 C CG1 . ILE A 1 161 ? 13.653 -3.545 16.615 1.00 17.10 0 A 2 +ATOM 1267 C CG2 . ILE A 1 161 ? 14.020 -4.742 18.789 1.00 10.74 0 A 2 +ATOM 1268 C CD1 . ILE A 1 161 ? 13.587 -2.235 17.350 1.00 13.71 0 A 2 +ATOM 1269 N N . HIS A 1 162 ? 13.293 -5.851 14.338 1.00 17.42 0 A 2 +ATOM 1270 C CA . HIS A 1 162 ? 12.526 -5.904 13.121 1.00 20.75 0 A 2 +ATOM 1271 C C . HIS A 1 162 ? 12.265 -7.326 12.660 1.00 22.73 0 A 2 +ATOM 1272 O O . HIS A 1 162 ? 11.197 -7.607 12.137 1.00 21.43 0 A 2 +ATOM 1273 C CB . HIS A 1 162 ? 13.136 -5.017 12.033 1.00 18.62 0 A 2 +ATOM 1274 C CG . HIS A 1 162 ? 12.746 -3.585 12.159 1.00 20.28 0 A 2 +ATOM 1275 C CD2 . HIS A 1 162 ? 11.683 -2.901 11.654 1.00 14.06 0 A 2 +ATOM 1276 N ND1 . HIS A 1 162 ? 13.407 -2.701 12.985 1.00 16.29 0 A 2 +ATOM 1277 C CE1 . HIS A 1 162 ? 12.766 -1.547 12.997 1.00 14.06 0 A 2 +ATOM 1278 N NE2 . HIS A 1 162 ? 11.713 -1.651 12.196 1.00 10.82 0 A 2 +ATOM 1279 N N . GLU A 1 163 ? 13.189 -8.235 12.953 1.00 17.62 0 A 2 +ATOM 1280 C CA . GLU A 1 163 ? 13.004 -9.631 12.561 1.00 24.14 0 A 2 +ATOM 1281 C C . GLU A 1 163 ? 11.787 -10.190 13.288 1.00 21.50 0 A 2 +ATOM 1282 O O . GLU A 1 163 ? 11.038 -10.994 12.745 1.00 23.44 0 A 2 +ATOM 1283 C CB . GLU A 1 163 ? 14.245 -10.476 12.884 1.00 25.02 0 A 2 +ATOM 1284 C CG . GLU A 1 163 ? 15.323 -10.441 11.800 1.00 32.38 0 A 2 +ATOM 1285 C CD . GLU A 1 163 ? 15.076 -11.441 10.667 1.00 39.96 0 A 2 +ATOM 1286 O OE1 . GLU A 1 163 ? 15.113 -12.661 10.938 1.00 43.34 0 A 2 +ATOM 1287 O OE2 . GLU A 1 163 ? 14.878 -11.018 9.504 1.00 35.46 0 A 2 +ATOM 1288 N N . VAL A 1 164 ? 11.582 -9.732 14.515 1.00 24.17 0 A 2 +ATOM 1289 C CA . VAL A 1 164 ? 10.449 -10.158 15.314 1.00 19.93 0 A 2 +ATOM 1290 C C . VAL A 1 164 ? 9.184 -9.542 14.745 1.00 20.76 0 A 2 +ATOM 1291 O O . VAL A 1 164 ? 8.161 -10.215 14.627 1.00 26.65 0 A 2 +ATOM 1292 C CB . VAL A 1 164 ? 10.618 -9.730 16.769 1.00 22.44 0 A 2 +ATOM 1293 C CG1 . VAL A 1 164 ? 9.357 -10.024 17.560 1.00 16.14 0 A 2 +ATOM 1294 C CG2 . VAL A 1 164 ? 11.814 -10.447 17.383 1.00 14.63 0 A 2 +ATOM 1295 N N . LEU A 1 165 ? 9.278 -8.272 14.365 1.00 19.96 0 A 2 +ATOM 1296 C CA . LEU A 1 165 ? 8.147 -7.553 13.802 1.00 17.74 0 A 2 +ATOM 1297 C C . LEU A 1 165 ? 7.730 -8.142 12.448 1.00 18.72 0 A 2 +ATOM 1298 O O . LEU A 1 165 ? 6.555 -8.385 12.191 1.00 15.88 0 A 2 +ATOM 1299 C CB . LEU A 1 165 ? 8.515 -6.082 13.631 1.00 19.36 0 A 2 +ATOM 1300 C CG . LEU A 1 165 ? 7.410 -5.187 13.070 1.00 22.16 0 A 2 +ATOM 1301 C CD1 . LEU A 1 165 ? 6.266 -5.073 14.082 1.00 13.13 0 A 2 +ATOM 1302 C CD2 . LEU A 1 165 ? 7.995 -3.824 12.749 1.00 15.95 0 A 2 +ATOM 1303 N N . ALA A 1 166 ? 8.705 -8.333 11.576 1.00 18.28 0 A 2 +ATOM 1304 C CA . ALA A 1 166 ? 8.458 -8.876 10.254 1.00 17.97 0 A 2 +ATOM 1305 C C . ALA A 1 166 ? 9.470 -9.980 10.016 1.00 19.36 0 A 2 +ATOM 1306 O O . ALA A 1 166 ? 10.512 -9.755 9.394 1.00 27.25 0 A 2 +ATOM 1307 C CB . ALA A 1 166 ? 8.620 -7.792 9.220 1.00 15.80 0 A 2 +ATOM 1308 N N . PRO A 1 167 ? 9.179 -11.195 10.501 1.00 21.81 0 A 2 +ATOM 1309 C CA . PRO A 1 167 ? 10.093 -12.327 10.322 1.00 22.48 0 A 2 +ATOM 1310 C C . PRO A 1 167 ? 10.555 -12.442 8.867 1.00 25.49 0 A 2 +ATOM 1311 O O . PRO A 1 167 ? 9.741 -12.400 7.945 1.00 29.29 0 A 2 +ATOM 1312 C CB . PRO A 1 167 ? 9.240 -13.528 10.735 1.00 20.23 0 A 2 +ATOM 1313 C CG . PRO A 1 167 ? 8.300 -12.954 11.756 1.00 12.89 0 A 2 +ATOM 1314 C CD . PRO A 1 167 ? 7.909 -11.623 11.136 1.00 17.95 0 A 2 +ATOM 1315 N N . GLY A 1 168 ? 11.866 -12.510 8.670 1.00 25.81 0 A 2 +ATOM 1316 C CA . GLY A 1 168 ? 12.405 -12.642 7.330 1.00 21.82 0 A 2 +ATOM 1317 C C . GLY A 1 168 ? 12.663 -11.374 6.535 1.00 20.75 0 A 2 +ATOM 1318 O O . GLY A 1 168 ? 13.161 -11.445 5.409 1.00 21.49 0 A 2 +ATOM 1319 N N . CYS A 1 169 ? 12.419 -10.216 7.134 1.00 21.15 0 A 2 +ATOM 1320 C CA . CYS A 1 169 ? 12.638 -8.943 6.444 1.00 21.47 0 A 2 +ATOM 1321 C C . CYS A 1 169 ? 14.100 -8.779 6.035 1.00 23.12 0 A 2 +ATOM 1322 O O . CYS A 1 169 ? 14.434 -7.893 5.244 1.00 29.31 0 A 2 +ATOM 1323 C CB . CYS A 1 169 ? 12.237 -7.793 7.357 1.00 18.54 0 A 2 +ATOM 1324 S SG . CYS A 1 169 ? 13.053 -7.918 8.952 1.00 16.50 0 A 2 +ATOM 1325 N N . LEU A 1 170 ? 14.976 -9.625 6.573 1.00 21.97 0 A 2 +ATOM 1326 C CA . LEU A 1 170 ? 16.389 -9.540 6.240 1.00 19.55 0 A 2 +ATOM 1327 C C . LEU A 1 170 ? 16.794 -10.501 5.132 1.00 20.60 0 A 2 +ATOM 1328 O O . LEU A 1 170 ? 17.922 -10.463 4.651 1.00 22.79 0 A 2 +ATOM 1329 C CB . LEU A 1 170 ? 17.239 -9.754 7.487 1.00 17.85 0 A 2 +ATOM 1330 C CG . LEU A 1 170 ? 17.920 -8.509 8.062 1.00 15.57 0 A 2 +ATOM 1331 C CD1 . LEU A 1 170 ? 17.034 -7.286 7.997 1.00 7.75 0 A 2 +ATOM 1332 C CD2 . LEU A 1 170 ? 18.317 -8.785 9.477 1.00 4.59 0 A 2 +ATOM 1333 N N . ASP A 1 171 ? 15.853 -11.322 4.676 1.00 21.29 0 A 2 +ATOM 1334 C CA . ASP A 1 171 ? 16.141 -12.286 3.615 1.00 22.57 0 A 2 +ATOM 1335 C C . ASP A 1 171 ? 16.614 -11.618 2.337 1.00 25.88 0 A 2 +ATOM 1336 O O . ASP A 1 171 ? 17.495 -12.140 1.642 1.00 28.80 0 A 2 +ATOM 1337 C CB . ASP A 1 171 ? 14.914 -13.145 3.310 1.00 29.10 0 A 2 +ATOM 1338 C CG . ASP A 1 171 ? 14.576 -14.116 4.435 1.00 28.36 0 A 2 +ATOM 1339 O OD1 . ASP A 1 171 ? 15.318 -14.175 5.443 1.00 30.27 0 A 2 +ATOM 1340 O OD2 . ASP A 1 171 ? 13.549 -14.823 4.301 1.00 30.48 0 A 2 +ATOM 1341 N N . ALA A 1 172 ? 16.051 -10.452 2.036 1.00 24.73 0 A 2 +ATOM 1342 C CA . ALA A 1 172 ? 16.421 -9.709 0.836 1.00 29.00 0 A 2 +ATOM 1343 C C . ALA A 1 172 ? 17.714 -8.922 1.014 1.00 23.65 0 A 2 +ATOM 1344 O O . ALA A 1 172 ? 18.183 -8.263 0.081 1.00 23.50 0 A 2 +ATOM 1345 C CB . ALA A 1 172 ? 15.301 -8.771 0.442 1.00 32.03 0 A 2 +ATOM 1346 N N . PHE A 1 173 ? 18.314 -9.024 2.195 1.00 25.82 0 A 2 +ATOM 1347 C CA . PHE A 1 173 ? 19.539 -8.297 2.504 1.00 22.53 0 A 2 +ATOM 1348 C C . PHE A 1 173 ? 20.608 -9.192 3.097 1.00 18.15 0 A 2 +ATOM 1349 O O . PHE A 1 173 ? 20.811 -9.218 4.309 1.00 22.08 0 A 2 +ATOM 1350 C CB . PHE A 1 173 ? 19.204 -7.158 3.468 1.00 19.01 0 A 2 +ATOM 1351 C CG . PHE A 1 173 ? 18.113 -6.267 2.968 1.00 19.17 0 A 2 +ATOM 1352 C CD1 . PHE A 1 173 ? 18.337 -5.405 1.896 1.00 21.07 0 A 2 +ATOM 1353 C CD2 . PHE A 1 173 ? 16.842 -6.315 3.523 1.00 20.84 0 A 2 +ATOM 1354 C CE1 . PHE A 1 173 ? 17.311 -4.618 1.380 1.00 17.13 0 A 2 +ATOM 1355 C CE2 . PHE A 1 173 ? 15.802 -5.535 3.014 1.00 15.16 0 A 2 +ATOM 1356 C CZ . PHE A 1 173 ? 16.042 -4.685 1.942 1.00 20.57 0 A 2 +ATOM 1357 N N . PRO A 1 174 ? 21.341 -9.908 2.234 1.00 17.65 0 A 2 +ATOM 1358 C CA . PRO A 1 174 ? 22.417 -10.832 2.626 1.00 18.87 0 A 2 +ATOM 1359 C C . PRO A 1 174 ? 23.484 -10.234 3.541 1.00 18.32 0 A 2 +ATOM 1360 O O . PRO A 1 174 ? 23.899 -10.875 4.515 1.00 24.48 0 A 2 +ATOM 1361 C CB . PRO A 1 174 ? 23.003 -11.264 1.276 1.00 21.61 0 A 2 +ATOM 1362 C CG . PRO A 1 174 ? 22.590 -10.151 0.330 1.00 23.67 0 A 2 +ATOM 1363 C CD . PRO A 1 174 ? 21.202 -9.841 0.772 1.00 15.50 0 A 2 +ATOM 1364 N N . LEU A 1 175 ? 23.936 -9.018 3.248 1.00 20.19 0 A 2 +ATOM 1365 C CA . LEU A 1 175 ? 24.956 -8.390 4.075 1.00 16.90 0 A 2 +ATOM 1366 C C . LEU A 1 175 ? 24.413 -8.158 5.486 1.00 18.86 0 A 2 +ATOM 1367 O O . LEU A 1 175 ? 25.048 -8.553 6.468 1.00 23.56 0 A 2 +ATOM 1368 C CB . LEU A 1 175 ? 25.450 -7.096 3.429 1.00 19.46 0 A 2 +ATOM 1369 C CG . LEU A 1 175 ? 26.662 -7.171 2.478 1.00 24.93 0 A 2 +ATOM 1370 C CD1 . LEU A 1 175 ? 26.842 -8.554 1.836 1.00 16.40 0 A 2 +ATOM 1371 C CD2 . LEU A 1 175 ? 26.531 -6.091 1.418 1.00 10.60 0 A 2 +ATOM 1372 N N . LEU A 1 176 ? 23.188 -7.644 5.584 1.00 18.17 0 A 2 +ATOM 1373 C CA . LEU A 1 176 ? 22.569 -7.397 6.891 1.00 18.84 0 A 2 +ATOM 1374 C C . LEU A 1 176 ? 22.396 -8.697 7.651 1.00 17.79 0 A 2 +ATOM 1375 O O . LEU A 1 176 ? 22.736 -8.773 8.831 1.00 22.22 0 A 2 +ATOM 1376 C CB . LEU A 1 176 ? 21.214 -6.702 6.746 1.00 14.67 0 A 2 +ATOM 1377 C CG . LEU A 1 176 ? 21.288 -5.227 6.342 1.00 17.03 0 A 2 +ATOM 1378 C CD1 . LEU A 1 176 ? 19.878 -4.648 6.179 1.00 12.88 0 A 2 +ATOM 1379 C CD2 . LEU A 1 176 ? 22.089 -4.433 7.379 1.00 17.88 0 A 2 +ATOM 1380 N N . SER A 1 177 ? 21.870 -9.715 6.974 1.00 16.53 0 A 2 +ATOM 1381 C CA . SER A 1 177 ? 21.674 -11.026 7.577 1.00 17.49 0 A 2 +ATOM 1382 C C . SER A 1 177 ? 22.980 -11.556 8.139 1.00 19.10 0 A 2 +ATOM 1383 O O . SER A 1 177 ? 23.044 -11.918 9.317 1.00 24.24 0 A 2 +ATOM 1384 C CB . SER A 1 177 ? 21.141 -12.017 6.551 1.00 15.49 0 A 2 +ATOM 1385 O OG . SER A 1 177 ? 19.852 -11.639 6.137 1.00 24.92 0 A 2 +ATOM 1386 N N . ALA A 1 178 ? 24.017 -11.590 7.311 1.00 13.97 0 A 2 +ATOM 1387 C CA . ALA A 1 178 ? 25.304 -12.093 7.774 1.00 19.98 0 A 2 +ATOM 1388 C C . ALA A 1 178 ? 25.837 -11.223 8.915 1.00 15.98 0 A 2 +ATOM 1389 O O . ALA A 1 178 ? 26.418 -11.740 9.866 1.00 19.18 0 A 2 +ATOM 1390 C CB . ALA A 1 178 ? 26.295 -12.152 6.632 1.00 15.35 0 A 2 +ATOM 1391 N N . TYR A 1 179 ? 25.584 -9.922 8.827 1.00 19.34 0 A 2 +ATOM 1392 C CA . TYR A 1 179 ? 26.028 -8.958 9.830 1.00 13.77 0 A 2 +ATOM 1393 C C . TYR A 1 179 ? 25.390 -9.316 11.173 1.00 13.15 0 A 2 +ATOM 1394 O O . TYR A 1 179 ? 26.083 -9.455 12.185 1.00 19.66 0 A 2 +ATOM 1395 C CB . TYR A 1 179 ? 25.634 -7.547 9.367 1.00 16.41 0 A 2 +ATOM 1396 C CG . TYR A 1 179 ? 25.822 -6.414 10.369 1.00 14.15 0 A 2 +ATOM 1397 C CD1 . TYR A 1 179 ? 27.019 -5.700 10.437 1.00 13.75 0 A 2 +ATOM 1398 C CD2 . TYR A 1 179 ? 24.762 -5.995 11.177 1.00 14.80 0 A 2 +ATOM 1399 C CE1 . TYR A 1 179 ? 27.158 -4.582 11.279 1.00 16.00 0 A 2 +ATOM 1400 C CE2 . TYR A 1 179 ? 24.885 -4.885 12.020 1.00 22.35 0 A 2 +ATOM 1401 C CZ . TYR A 1 179 ? 26.085 -4.183 12.065 1.00 20.37 0 A 2 +ATOM 1402 O OH . TYR A 1 179 ? 26.187 -3.059 12.853 1.00 16.77 0 A 2 +ATOM 1403 N N . VAL A 1 180 ? 24.077 -9.499 11.180 1.00 14.44 0 A 2 +ATOM 1404 C CA . VAL A 1 180 ? 23.385 -9.860 12.405 1.00 13.14 0 A 2 +ATOM 1405 C C . VAL A 1 180 ? 23.962 -11.142 12.996 1.00 16.32 0 A 2 +ATOM 1406 O O . VAL A 1 180 ? 24.337 -11.170 14.160 1.00 20.10 0 A 2 +ATOM 1407 C CB . VAL A 1 180 ? 21.889 -10.022 12.163 1.00 18.70 0 A 2 +ATOM 1408 C CG1 . VAL A 1 180 ? 21.200 -10.650 13.403 1.00 19.49 0 A 2 +ATOM 1409 C CG2 . VAL A 1 180 ? 21.287 -8.669 11.850 1.00 16.72 0 A 2 +ATOM 1410 N N . GLY A 1 181 ? 24.093 -12.178 12.180 1.00 13.08 0 A 2 +ATOM 1411 C CA . GLY A 1 181 ? 24.639 -13.433 12.675 1.00 15.06 0 A 2 +ATOM 1412 C C . GLY A 1 181 ? 26.034 -13.258 13.232 1.00 15.30 0 A 2 +ATOM 1413 O O . GLY A 1 181 ? 26.316 -13.638 14.367 1.00 22.69 0 A 2 +ATOM 1414 N N . ARG A 1 182 ? 26.890 -12.609 12.461 1.00 19.09 0 A 2 +ATOM 1415 C CA . ARG A 1 182 ? 28.274 -12.383 12.856 1.00 20.34 0 A 2 +ATOM 1416 C C . ARG A 1 182 ? 28.364 -11.666 14.199 1.00 23.71 0 A 2 +ATOM 1417 O O . ARG A 1 182 ? 29.009 -12.151 15.129 1.00 29.48 0 A 2 +ATOM 1418 C CB . ARG A 1 182 ? 28.980 -11.557 11.788 1.00 20.24 0 A 2 +ATOM 1419 C CG . ARG A 1 182 ? 30.469 -11.406 11.971 1.00 24.56 0 A 2 +ATOM 1420 C CD . ARG A 1 182 ? 30.975 -10.289 11.072 1.00 28.95 0 A 2 +ATOM 1421 N NE . ARG A 1 182 ? 30.571 -10.505 9.694 1.00 29.43 0 A 2 +ATOM 1422 C CZ . ARG A 1 182 ? 29.982 -9.597 8.923 1.00 30.47 0 A 2 +ATOM 1423 N NH1 . ARG A 1 182 ? 29.734 -8.373 9.381 1.00 24.53 0 A 2 +ATOM 1424 N NH2 . ARG A 1 182 ? 29.570 -9.946 7.713 1.00 32.56 0 A 2 +ATOM 1425 N N . LEU A 1 183 ? 27.703 -10.519 14.307 1.00 21.93 0 A 2 +ATOM 1426 C CA . LEU A 1 183 ? 27.742 -9.759 15.547 1.00 20.84 0 A 2 +ATOM 1427 C C . LEU A 1 183 ? 27.140 -10.544 16.701 1.00 21.95 0 A 2 +ATOM 1428 O O . LEU A 1 183 ? 27.702 -10.584 17.804 1.00 17.73 0 A 2 +ATOM 1429 C CB . LEU A 1 183 ? 27.019 -8.427 15.379 1.00 16.60 0 A 2 +ATOM 1430 C CG . LEU A 1 183 ? 27.782 -7.361 14.603 1.00 21.30 0 A 2 +ATOM 1431 C CD1 . LEU A 1 183 ? 27.066 -6.030 14.745 1.00 16.93 0 A 2 +ATOM 1432 C CD2 . LEU A 1 183 ? 29.174 -7.230 15.158 1.00 20.76 0 A 2 +ATOM 1433 N N . SER A 1 184 ? 26.019 -11.203 16.431 1.00 20.77 0 A 2 +ATOM 1434 C CA . SER A 1 184 ? 25.341 -12.001 17.435 1.00 17.87 0 A 2 +ATOM 1435 C C . SER A 1 184 ? 26.212 -13.148 17.927 1.00 22.67 0 A 2 +ATOM 1436 O O . SER A 1 184 ? 26.005 -13.675 19.025 1.00 23.53 0 A 2 +ATOM 1437 C CB . SER A 1 184 ? 24.047 -12.544 16.859 1.00 15.77 0 A 2 +ATOM 1438 O OG . SER A 1 184 ? 23.220 -11.477 16.439 1.00 20.71 0 A 2 +ATOM 1439 N N . ALA A 1 185 ? 27.195 -13.523 17.118 1.00 20.11 0 A 2 +ATOM 1440 C CA . ALA A 1 185 ? 28.096 -14.614 17.467 1.00 24.80 0 A 2 +ATOM 1441 C C . ALA A 1 185 ? 29.245 -14.197 18.376 1.00 23.83 0 A 2 +ATOM 1442 O O . ALA A 1 185 ? 29.929 -15.056 18.940 1.00 25.96 0 A 2 +ATOM 1443 C CB . ALA A 1 185 ? 28.638 -15.289 16.194 1.00 20.49 0 A 2 +ATOM 1444 N N . ARG A 1 186 ? 29.480 -12.897 18.509 1.00 24.54 0 A 2 +ATOM 1445 C CA . ARG A 1 186 ? 30.559 -12.422 19.380 1.00 23.60 0 A 2 +ATOM 1446 C C . ARG A 1 186 ? 30.321 -12.996 20.780 1.00 25.71 0 A 2 +ATOM 1447 O O . ARG A 1 186 ? 29.301 -12.715 21.410 1.00 26.85 0 A 2 +ATOM 1448 C CB . ARG A 1 186 ? 30.606 -10.900 19.384 1.00 20.03 0 A 2 +ATOM 1449 C CG . ARG A 1 186 ? 30.998 -10.328 18.026 1.00 23.55 0 A 2 +ATOM 1450 C CD . ARG A 1 186 ? 30.688 -8.840 17.921 1.00 23.99 0 A 2 +ATOM 1451 N NE . ARG A 1 186 ? 31.514 -8.017 18.798 1.00 26.93 0 A 2 +ATOM 1452 C CZ . ARG A 1 186 ? 32.681 -7.475 18.459 1.00 24.96 0 A 2 +ATOM 1453 N NH1 . ARG A 1 186 ? 33.221 -7.708 17.269 1.00 14.84 0 A 2 +ATOM 1454 N NH2 . ARG A 1 186 ? 33.339 -6.730 19.338 1.00 20.88 0 A 2 +ATOM 1455 N N . PRO A 1 187 ? 31.282 -13.780 21.299 1.00 29.00 0 A 2 +ATOM 1456 C CA . PRO A 1 187 ? 31.231 -14.433 22.617 1.00 25.00 0 A 2 +ATOM 1457 C C . PRO A 1 187 ? 30.444 -13.737 23.730 1.00 21.43 0 A 2 +ATOM 1458 O O . PRO A 1 187 ? 29.394 -14.224 24.131 1.00 27.36 0 A 2 +ATOM 1459 C CB . PRO A 1 187 ? 32.706 -14.616 22.963 1.00 28.54 0 A 2 +ATOM 1460 C CG . PRO A 1 187 ? 33.302 -14.915 21.635 1.00 25.97 0 A 2 +ATOM 1461 C CD . PRO A 1 187 ? 32.652 -13.875 20.742 1.00 29.13 0 A 2 +ATOM 1462 N N . LYS A 1 188 ? 30.945 -12.600 24.214 1.00 21.27 0 A 2 +ATOM 1463 C CA . LYS A 1 188 ? 30.283 -11.865 25.289 1.00 17.31 0 A 2 +ATOM 1464 C C . LYS A 1 188 ? 28.866 -11.448 24.923 1.00 11.65 0 A 2 +ATOM 1465 O O . LYS A 1 188 ? 27.959 -11.550 25.752 1.00 15.31 0 A 2 +ATOM 1466 C CB . LYS A 1 188 ? 31.118 -10.649 25.710 1.00 17.22 0 A 2 +ATOM 1467 C CG . LYS A 1 188 ? 32.447 -11.020 26.358 1.00 22.48 0 A 2 +ATOM 1468 C CD . LYS A 1 188 ? 33.248 -9.794 26.787 1.00 26.92 0 A 2 +ATOM 1469 C CE . LYS A 1 188 ? 34.691 -10.171 27.127 1.00 28.00 0 A 2 +ATOM 1470 N NZ . LYS A 1 188 ? 34.777 -11.159 28.242 1.00 40.95 0 A 2 +ATOM 1471 N N . LEU A 1 189 ? 28.666 -11.048 23.668 1.00 17.09 0 A 2 +ATOM 1472 C CA . LEU A 1 189 ? 27.356 -10.616 23.195 1.00 17.37 0 A 2 +ATOM 1473 C C . LEU A 1 189 ? 26.396 -11.795 23.161 1.00 18.18 0 A 2 +ATOM 1474 O O . LEU A 1 189 ? 25.275 -11.701 23.668 1.00 18.77 0 A 2 +ATOM 1475 C CB . LEU A 1 189 ? 27.442 -9.997 21.796 1.00 17.30 0 A 2 +ATOM 1476 C CG . LEU A 1 189 ? 26.709 -8.656 21.593 1.00 24.75 0 A 2 +ATOM 1477 C CD1 . LEU A 1 189 ? 26.519 -8.380 20.107 1.00 17.09 0 A 2 +ATOM 1478 C CD2 . LEU A 1 189 ? 25.366 -8.610 22.325 1.00 13.56 0 A 2 +ATOM 1479 N N . LYS A 1 190 ? 26.858 -12.906 22.589 1.00 19.19 0 A 2 +ATOM 1480 C CA . LYS A 1 190 ? 26.065 -14.130 22.476 1.00 16.19 0 A 2 +ATOM 1481 C C . LYS A 1 190 ? 25.554 -14.528 23.849 1.00 12.05 0 A 2 +ATOM 1482 O O . LYS A 1 190 ? 24.348 -14.649 24.064 1.00 18.11 0 A 2 +ATOM 1483 C CB . LYS A 1 190 ? 26.924 -15.250 21.899 1.00 20.88 0 A 2 +ATOM 1484 C CG . LYS A 1 190 ? 26.188 -16.546 21.638 1.00 21.24 0 A 2 +ATOM 1485 C CD . LYS A 1 190 ? 27.095 -17.505 20.877 1.00 29.87 0 A 2 +ATOM 1486 C CE . LYS A 1 190 ? 26.488 -18.893 20.772 1.00 33.81 0 A 2 +ATOM 1487 N NZ . LYS A 1 190 ? 27.308 -19.800 19.928 1.00 40.95 0 A 2 +ATOM 1488 N N . ALA A 1 191 ? 26.471 -14.653 24.798 1.00 15.48 0 A 2 +ATOM 1489 C CA . ALA A 1 191 ? 26.106 -15.025 26.164 1.00 18.01 0 A 2 +ATOM 1490 C C . ALA A 1 191 ? 25.074 -14.043 26.733 1.00 19.74 0 A 2 +ATOM 1491 O O . ALA A 1 191 ? 24.095 -14.456 27.346 1.00 25.31 0 A 2 +ATOM 1492 C CB . ALA A 1 191 ? 27.352 -15.068 27.051 1.00 11.01 0 A 2 +ATOM 1493 N N . PHE A 1 192 ? 25.271 -12.751 26.492 1.00 22.61 0 A 2 +ATOM 1494 C CA . PHE A 1 192 ? 24.335 -11.749 26.992 1.00 16.07 0 A 2 +ATOM 1495 C C . PHE A 1 192 ? 22.971 -11.944 26.361 1.00 13.15 0 A 2 +ATOM 1496 O O . PHE A 1 192 ? 21.963 -12.058 27.054 1.00 18.82 0 A 2 +ATOM 1497 C CB . PHE A 1 192 ? 24.833 -10.332 26.683 1.00 17.26 0 A 2 +ATOM 1498 C CG . PHE A 1 192 ? 23.855 -9.250 27.049 1.00 15.92 0 A 2 +ATOM 1499 C CD1 . PHE A 1 192 ? 23.535 -9.009 28.380 1.00 13.23 0 A 2 +ATOM 1500 C CD2 . PHE A 1 192 ? 23.253 -8.467 26.068 1.00 15.55 0 A 2 +ATOM 1501 C CE1 . PHE A 1 192 ? 22.644 -7.997 28.727 1.00 13.95 0 A 2 +ATOM 1502 C CE2 . PHE A 1 192 ? 22.354 -7.450 26.404 1.00 15.72 0 A 2 +ATOM 1503 C CZ . PHE A 1 192 ? 22.048 -7.217 27.734 1.00 11.02 0 A 2 +ATOM 1504 N N . LEU A 1 193 ? 22.948 -12.036 25.040 1.00 12.91 0 A 2 +ATOM 1505 C CA . LEU A 1 193 ? 21.699 -12.182 24.319 1.00 13.04 0 A 2 +ATOM 1506 C C . LEU A 1 193 ? 20.911 -13.410 24.715 1.00 15.69 0 A 2 +ATOM 1507 O O . LEU A 1 193 ? 19.687 -13.447 24.578 1.00 18.53 0 A 2 +ATOM 1508 C CB . LEU A 1 193 ? 21.972 -12.206 22.829 1.00 9.91 0 A 2 +ATOM 1509 C CG . LEU A 1 193 ? 22.419 -10.874 22.238 1.00 12.89 0 A 2 +ATOM 1510 C CD1 . LEU A 1 193 ? 22.896 -11.091 20.800 1.00 9.28 0 A 2 +ATOM 1511 C CD2 . LEU A 1 193 ? 21.274 -9.873 22.312 1.00 7.61 0 A 2 +ATOM 1512 N N . ALA A 1 194 ? 21.618 -14.430 25.165 1.00 17.81 0 A 2 +ATOM 1513 C CA . ALA A 1 194 ? 20.977 -15.670 25.555 1.00 16.79 0 A 2 +ATOM 1514 C C . ALA A 1 194 ? 20.622 -15.654 27.039 1.00 21.07 0 A 2 +ATOM 1515 O O . ALA A 1 194 ? 19.842 -16.492 27.502 1.00 22.26 0 A 2 +ATOM 1516 C CB . ALA A 1 194 ? 21.892 -16.854 25.232 1.00 13.98 0 A 2 +ATOM 1517 N N . SER A 1 195 ? 21.139 -14.670 27.773 1.00 20.79 0 A 2 +ATOM 1518 C CA . SER A 1 195 ? 20.885 -14.590 29.207 1.00 17.94 0 A 2 +ATOM 1519 C C . SER A 1 195 ? 19.461 -14.142 29.544 1.00 20.92 0 A 2 +ATOM 1520 O O . SER A 1 195 ? 18.826 -13.395 28.783 1.00 22.44 0 A 2 +ATOM 1521 C CB . SER A 1 195 ? 21.909 -13.668 29.886 1.00 14.00 0 A 2 +ATOM 1522 O OG . SER A 1 195 ? 21.539 -12.302 29.764 1.00 19.24 0 A 2 +ATOM 1523 N N . PRO A 1 196 ? 18.940 -14.595 30.701 1.00 22.11 0 A 2 +ATOM 1524 C CA . PRO A 1 196 ? 17.593 -14.269 31.190 1.00 21.05 0 A 2 +ATOM 1525 C C . PRO A 1 196 ? 17.412 -12.760 31.316 1.00 24.02 0 A 2 +ATOM 1526 O O . PRO A 1 196 ? 16.309 -12.238 31.143 1.00 24.92 0 A 2 +ATOM 1527 C CB . PRO A 1 196 ? 17.576 -14.910 32.579 1.00 20.75 0 A 2 +ATOM 1528 C CG . PRO A 1 196 ? 18.499 -16.068 32.429 1.00 18.33 0 A 2 +ATOM 1529 C CD . PRO A 1 196 ? 19.637 -15.495 31.644 1.00 14.63 0 A 2 +ATOM 1530 N N . GLU A 1 197 ? 18.514 -12.088 31.631 1.00 18.45 0 A 2 +ATOM 1531 C CA . GLU A 1 197 ? 18.587 -10.645 31.801 1.00 23.07 0 A 2 +ATOM 1532 C C . GLU A 1 197 ? 18.090 -9.905 30.554 1.00 23.66 0 A 2 +ATOM 1533 O O . GLU A 1 197 ? 17.558 -8.800 30.639 1.00 14.04 0 A 2 +ATOM 1534 C CB . GLU A 1 197 ? 20.038 -10.294 32.063 1.00 25.47 0 A 2 +ATOM 1535 C CG . GLU A 1 197 ? 20.292 -8.901 32.497 1.00 29.12 0 A 2 +ATOM 1536 C CD . GLU A 1 197 ? 21.764 -8.662 32.728 1.00 27.91 0 A 2 +ATOM 1537 O OE1 . GLU A 1 197 ? 22.442 -9.570 33.260 1.00 28.23 0 A 2 +ATOM 1538 O OE2 . GLU A 1 197 ? 22.243 -7.567 32.381 1.00 28.98 0 A 2 +ATOM 1539 N N . TYR A 1 198 ? 18.299 -10.521 29.400 1.00 26.34 0 A 2 +ATOM 1540 C CA . TYR A 1 198 ? 17.872 -9.964 28.129 1.00 19.93 0 A 2 +ATOM 1541 C C . TYR A 1 198 ? 16.616 -10.681 27.663 1.00 16.88 0 A 2 +ATOM 1542 O O . TYR A 1 198 ? 15.582 -10.062 27.452 1.00 16.68 0 A 2 +ATOM 1543 C CB . TYR A 1 198 ? 18.990 -10.138 27.086 1.00 15.44 0 A 2 +ATOM 1544 C CG . TYR A 1 198 ? 18.596 -9.741 25.686 1.00 13.26 0 A 2 +ATOM 1545 C CD1 . TYR A 1 198 ? 18.703 -8.426 25.261 1.00 7.00 0 A 2 +ATOM 1546 C CD2 . TYR A 1 198 ? 18.112 -10.694 24.777 1.00 22.20 0 A 2 +ATOM 1547 C CE1 . TYR A 1 198 ? 18.342 -8.050 23.963 1.00 17.77 0 A 2 +ATOM 1548 C CE2 . TYR A 1 198 ? 17.744 -10.331 23.473 1.00 22.62 0 A 2 +ATOM 1549 C CZ . TYR A 1 198 ? 17.864 -9.007 23.079 1.00 21.82 0 A 2 +ATOM 1550 O OH . TYR A 1 198 ? 17.495 -8.633 21.813 1.00 21.68 0 A 2 +ATOM 1551 N N . VAL A 1 199 ? 16.722 -11.998 27.542 1.00 19.25 0 A 2 +ATOM 1552 C CA . VAL A 1 199 ? 15.634 -12.848 27.059 1.00 21.89 0 A 2 +ATOM 1553 C C . VAL A 1 199 ? 14.297 -12.699 27.768 1.00 23.26 0 A 2 +ATOM 1554 O O . VAL A 1 199 ? 13.241 -12.758 27.141 1.00 21.82 0 A 2 +ATOM 1555 C CB . VAL A 1 199 ? 16.041 -14.343 27.093 1.00 21.45 0 A 2 +ATOM 1556 C CG1 . VAL A 1 199 ? 14.866 -15.220 26.707 1.00 20.93 0 A 2 +ATOM 1557 C CG2 . VAL A 1 199 ? 17.204 -14.600 26.142 1.00 19.98 0 A 2 +ATOM 1558 N N . ASN A 1 200 ? 14.325 -12.490 29.075 1.00 23.60 0 A 2 +ATOM 1559 C CA . ASN A 1 200 ? 13.079 -12.387 29.799 1.00 20.85 0 A 2 +ATOM 1560 C C . ASN A 1 200 ? 12.474 -10.999 29.902 1.00 21.30 0 A 2 +ATOM 1561 O O . ASN A 1 200 ? 11.513 -10.779 30.633 1.00 24.67 0 A 2 +ATOM 1562 C CB . ASN A 1 200 ? 13.221 -13.064 31.153 1.00 19.44 0 A 2 +ATOM 1563 C CG . ASN A 1 200 ? 13.474 -14.540 31.017 1.00 22.46 0 A 2 +ATOM 1564 N ND2 . ASN A 1 200 ? 14.214 -15.106 31.957 1.00 21.29 0 A 2 +ATOM 1565 O OD1 . ASN A 1 200 ? 13.044 -15.164 30.047 1.00 31.52 0 A 2 +ATOM 1566 N N . LEU A 1 201 ? 13.019 -10.069 29.135 1.00 20.16 0 A 2 +ATOM 1567 C CA . LEU A 1 201 ? 12.510 -8.707 29.117 1.00 15.39 0 A 2 +ATOM 1568 C C . LEU A 1 201 ? 11.703 -8.528 27.838 1.00 14.41 0 A 2 +ATOM 1569 O O . LEU A 1 201 ? 12.125 -8.969 26.768 1.00 17.44 0 A 2 +ATOM 1570 C CB . LEU A 1 201 ? 13.687 -7.729 29.104 1.00 16.42 0 A 2 +ATOM 1571 C CG . LEU A 1 201 ? 13.779 -6.702 30.222 1.00 18.28 0 A 2 +ATOM 1572 C CD1 . LEU A 1 201 ? 13.738 -7.389 31.592 1.00 16.60 0 A 2 +ATOM 1573 C CD2 . LEU A 1 201 ? 15.051 -5.902 30.064 1.00 11.18 0 A 2 +ATOM 1574 N N . PRO A 1 202 ? 10.500 -7.963 27.928 1.00 13.08 0 A 2 +ATOM 1575 C CA . PRO A 1 202 ? 9.747 -7.784 26.690 1.00 10.35 0 A 2 +ATOM 1576 C C . PRO A 1 202 ? 10.451 -6.685 25.892 1.00 12.51 0 A 2 +ATOM 1577 O O . PRO A 1 202 ? 11.110 -5.818 26.472 1.00 12.21 0 A 2 +ATOM 1578 C CB . PRO A 1 202 ? 8.382 -7.316 27.174 1.00 10.74 0 A 2 +ATOM 1579 C CG . PRO A 1 202 ? 8.716 -6.554 28.422 1.00 15.14 0 A 2 +ATOM 1580 C CD . PRO A 1 202 ? 9.755 -7.433 29.092 1.00 15.53 0 A 2 +ATOM 1581 N N . ILE A 1 203 ? 10.331 -6.733 24.570 1.00 14.64 0 A 2 +ATOM 1582 C CA . ILE A 1 203 ? 10.964 -5.731 23.718 1.00 18.09 0 A 2 +ATOM 1583 C C . ILE A 1 203 ? 10.401 -4.357 24.000 1.00 16.91 0 A 2 +ATOM 1584 O O . ILE A 1 203 ? 11.154 -3.392 24.177 1.00 22.08 0 A 2 +ATOM 1585 C CB . ILE A 1 203 ? 10.789 -6.064 22.229 1.00 12.61 0 A 2 +ATOM 1586 C CG1 . ILE A 1 203 ? 11.528 -7.367 21.922 1.00 14.04 0 A 2 +ATOM 1587 C CG2 . ILE A 1 203 ? 11.315 -4.934 21.382 1.00 12.72 0 A 2 +ATOM 1588 C CD1 . ILE A 1 203 ? 11.337 -7.892 20.519 1.00 7.30 0 A 2 +ATOM 1589 N N . ASN A 1 204 ? 9.076 -4.285 24.074 1.00 22.33 0 A 2 +ATOM 1590 C CA . ASN A 1 204 ? 8.374 -3.040 24.348 1.00 21.65 0 A 2 +ATOM 1591 C C . ASN A 1 204 ? 7.518 -3.158 25.621 1.00 19.86 0 A 2 +ATOM 1592 O O . ASN A 1 204 ? 7.292 -4.251 26.151 1.00 18.10 0 A 2 +ATOM 1593 C CB . ASN A 1 204 ? 7.506 -2.651 23.142 1.00 17.02 0 A 2 +ATOM 1594 C CG . ASN A 1 204 ? 8.291 -2.575 21.855 1.00 11.05 0 A 2 +ATOM 1595 N ND2 . ASN A 1 204 ? 9.275 -1.706 21.818 1.00 13.89 0 A 2 +ATOM 1596 O OD1 . ASN A 1 204 ? 8.041 -3.316 20.911 1.00 18.08 0 A 2 +ATOM 1597 N N . GLY A 1 205 ? 7.046 -2.018 26.098 1.00 23.47 0 A 2 +ATOM 1598 C CA . GLY A 1 205 ? 6.230 -1.990 27.296 1.00 24.35 0 A 2 +ATOM 1599 C C . GLY A 1 205 ? 4.742 -2.208 27.109 1.00 25.35 0 A 2 +ATOM 1600 O O . GLY A 1 205 ? 4.019 -2.301 28.101 1.00 27.32 0 A 2 +ATOM 1601 N N . ASN A 1 206 ? 4.248 -2.257 25.875 1.00 21.34 0 A 2 +ATOM 1602 C CA . ASN A 1 206 ? 2.817 -2.474 25.690 1.00 26.45 0 A 2 +ATOM 1603 C C . ASN A 1 206 ? 2.508 -3.898 25.249 1.00 25.96 0 A 2 +ATOM 1604 O O . ASN A 1 206 ? 1.374 -4.219 24.912 1.00 23.62 0 A 2 +ATOM 1605 C CB . ASN A 1 206 ? 2.216 -1.454 24.714 1.00 22.52 0 A 2 +ATOM 1606 C CG . ASN A 1 206 ? 2.664 -1.675 23.296 1.00 26.83 0 A 2 +ATOM 1607 N ND2 . ASN A 1 206 ? 1.976 -1.048 22.347 1.00 21.32 0 A 2 +ATOM 1608 O OD1 . ASN A 1 206 ? 3.631 -2.402 23.049 1.00 27.57 0 A 2 +ATOM 1609 N N . GLY A 1 207 ? 3.527 -4.748 25.253 1.00 31.10 0 A 2 +ATOM 1610 C CA . GLY A 1 207 ? 3.324 -6.124 24.856 1.00 33.70 0 A 2 +ATOM 1611 C C . GLY A 1 207 ? 3.229 -6.356 23.357 1.00 37.56 0 A 2 +ATOM 1612 O O . GLY A 1 207 ? 2.916 -7.469 22.927 1.00 41.24 0 A 2 +ATOM 1613 N N . LYS A 1 208 ? 3.493 -5.326 22.558 1.00 31.03 0 A 2 +ATOM 1614 C CA . LYS A 1 208 ? 3.437 -5.476 21.112 1.00 26.00 0 A 2 +ATOM 1615 C C . LYS A 1 208 ? 4.863 -5.525 20.592 1.00 27.27 0 A 2 +ATOM 1616 O O . LYS A 1 208 ? 5.755 -4.881 21.144 1.00 28.52 0 A 2 +ATOM 1617 C CB . LYS A 1 208 ? 2.654 -4.323 20.487 1.00 25.43 0 A 2 +ATOM 1618 C CG . LYS A 1 208 ? 1.175 -4.330 20.892 1.00 28.43 0 A 2 +ATOM 1619 C CD . LYS A 1 208 ? 0.390 -3.174 20.274 1.00 34.32 0 A 2 +ATOM 1620 C CE . LYS A 1 208 ? -1.119 -3.345 20.491 1.00 37.63 0 A 2 +ATOM 1621 N NZ . LYS A 1 208 ? -1.900 -2.178 19.981 1.00 33.62 0 A 2 +ATOM 1622 N N . GLN A 1 209 ? 5.095 -6.344 19.571 1.00 28.60 0 A 2 +ATOM 1623 C CA . GLN A 1 209 ? 6.426 -6.499 18.986 1.00 22.79 0 A 2 +ATOM 1624 C C . GLN A 1 209 ? 6.257 -7.097 17.588 1.00 23.91 0 A 2 +ATOM 1625 O O . GLN A 1 209 ? 7.278 -7.333 16.911 1.00 22.09 0 A 2 +ATOM 1626 C CB . GLN A 1 209 ? 7.263 -7.449 19.841 1.00 17.68 0 A 2 +ATOM 1627 C CG . GLN A 1 209 ? 6.595 -8.793 20.066 1.00 18.20 0 A 2 +ATOM 1628 C CD . GLN A 1 209 ? 7.527 -9.829 20.630 1.00 24.76 0 A 2 +ATOM 1629 N NE2 . GLN A 1 209 ? 7.438 -11.037 20.108 1.00 26.25 0 A 2 +ATOM 1630 O OE1 . GLN A 1 209 ? 8.327 -9.549 21.522 1.00 35.06 0 A 2 +ATOM 1631 O OXT . GLN A 1 209 ? 5.097 -7.352 17.201 1.00 24.47 0 A 2 +ATOM 1632 N N . PRO B 1 2 ? 35.615 23.269 0.086 1.00 43.81 0 B 2 +ATOM 1633 C CA . PRO B 1 2 ? 35.208 23.840 1.387 1.00 35.84 0 B 2 +ATOM 1634 C C . PRO B 1 2 ? 33.914 23.122 1.716 1.00 28.81 0 B 2 +ATOM 1635 O O . PRO B 1 2 ? 33.829 21.898 1.556 1.00 26.75 0 B 2 +ATOM 1636 C CB . PRO B 1 2 ? 34.975 25.321 1.133 1.00 42.67 0 B 2 +ATOM 1637 C CG . PRO B 1 2 ? 34.427 25.294 -0.289 1.00 47.29 0 B 2 +ATOM 1638 C CD . PRO B 1 2 ? 35.291 24.213 -0.990 1.00 48.49 0 B 2 +ATOM 1639 N N . TYR B 1 3 ? 32.900 23.865 2.129 1.00 19.91 0 B 2 +ATOM 1640 C CA . TYR B 1 3 ? 31.625 23.268 2.475 1.00 21.23 0 B 2 +ATOM 1641 C C . TYR B 1 3 ? 30.567 23.589 1.453 1.00 17.17 0 B 2 +ATOM 1642 O O . TYR B 1 3 ? 30.577 24.655 0.839 1.00 22.49 0 B 2 +ATOM 1643 C CB . TYR B 1 3 ? 31.132 23.797 3.815 1.00 18.07 0 B 2 +ATOM 1644 C CG . TYR B 1 3 ? 32.116 23.631 4.932 1.00 15.63 0 B 2 +ATOM 1645 C CD1 . TYR B 1 3 ? 32.491 22.356 5.379 1.00 16.43 0 B 2 +ATOM 1646 C CD2 . TYR B 1 3 ? 32.628 24.739 5.586 1.00 13.07 0 B 2 +ATOM 1647 C CE1 . TYR B 1 3 ? 33.351 22.203 6.456 1.00 15.65 0 B 2 +ATOM 1648 C CE2 . TYR B 1 3 ? 33.490 24.603 6.667 1.00 17.20 0 B 2 +ATOM 1649 C CZ . TYR B 1 3 ? 33.848 23.334 7.095 1.00 20.15 0 B 2 +ATOM 1650 O OH . TYR B 1 3 ? 34.708 23.178 8.155 1.00 22.06 0 B 2 +ATOM 1651 N N . THR B 1 4 ? 29.586 22.708 1.368 1.00 18.06 0 B 2 +ATOM 1652 C CA . THR B 1 4 ? 28.490 22.883 0.451 1.00 17.66 0 B 2 +ATOM 1653 C C . THR B 1 4 ? 27.259 22.248 1.078 1.00 19.05 0 B 2 +ATOM 1654 O O . THR B 1 4 ? 27.290 21.082 1.492 1.00 14.17 0 B 2 +ATOM 1655 C CB . THR B 1 4 ? 28.791 22.186 -0.888 1.00 22.48 0 B 2 +ATOM 1656 C CG2 . THR B 1 4 ? 27.604 22.323 -1.867 1.00 20.92 0 B 2 +ATOM 1657 O OG1 . THR B 1 4 ? 29.969 22.765 -1.462 1.00 27.68 0 B 2 +ATOM 1658 N N . VAL B 1 5 ? 26.203 23.037 1.243 1.00 21.39 0 B 2 +ATOM 1659 C CA . VAL B 1 5 ? 24.975 22.481 1.785 1.00 18.92 0 B 2 +ATOM 1660 C C . VAL B 1 5 ? 23.946 22.418 0.665 1.00 20.91 0 B 2 +ATOM 1661 O O . VAL B 1 5 ? 23.740 23.384 -0.076 1.00 22.15 0 B 2 +ATOM 1662 C CB . VAL B 1 5 ? 24.446 23.232 3.061 1.00 18.75 0 B 2 +ATOM 1663 C CG1 . VAL B 1 5 ? 25.461 24.252 3.563 1.00 12.77 0 B 2 +ATOM 1664 C CG2 . VAL B 1 5 ? 23.101 23.840 2.831 1.00 10.34 0 B 2 +ATOM 1665 N N . VAL B 1 6 ? 23.391 21.227 0.486 1.00 19.15 0 B 2 +ATOM 1666 C CA . VAL B 1 6 ? 22.400 20.973 -0.543 1.00 15.04 0 B 2 +ATOM 1667 C C . VAL B 1 6 ? 21.069 20.805 0.156 1.00 13.80 0 B 2 +ATOM 1668 O O . VAL B 1 6 ? 20.892 19.887 0.954 1.00 16.24 0 B 2 +ATOM 1669 C CB . VAL B 1 6 ? 22.744 19.699 -1.294 1.00 14.53 0 B 2 +ATOM 1670 C CG1 . VAL B 1 6 ? 21.741 19.464 -2.411 1.00 15.40 0 B 2 +ATOM 1671 C CG2 . VAL B 1 6 ? 24.182 19.786 -1.814 1.00 7.93 0 B 2 +ATOM 1672 N N . TYR B 1 7 ? 20.124 21.679 -0.152 1.00 11.33 0 B 2 +ATOM 1673 C CA . TYR B 1 7 ? 18.841 21.625 0.519 1.00 10.01 0 B 2 +ATOM 1674 C C . TYR B 1 7 ? 17.819 22.385 -0.294 1.00 14.20 0 B 2 +ATOM 1675 O O . TYR B 1 7 ? 18.128 22.926 -1.361 1.00 18.71 0 B 2 +ATOM 1676 C CB . TYR B 1 7 ? 19.007 22.316 1.869 1.00 10.80 0 B 2 +ATOM 1677 C CG . TYR B 1 7 ? 17.912 22.074 2.863 1.00 15.46 0 B 2 +ATOM 1678 C CD1 . TYR B 1 7 ? 17.612 20.790 3.296 1.00 15.32 0 B 2 +ATOM 1679 C CD2 . TYR B 1 7 ? 17.240 23.142 3.458 1.00 14.77 0 B 2 +ATOM 1680 C CE1 . TYR B 1 7 ? 16.676 20.570 4.295 1.00 11.99 0 B 2 +ATOM 1681 C CE2 . TYR B 1 7 ? 16.296 22.933 4.459 1.00 14.74 0 B 2 +ATOM 1682 C CZ . TYR B 1 7 ? 16.029 21.641 4.870 1.00 13.25 0 B 2 +ATOM 1683 O OH . TYR B 1 7 ? 15.098 21.430 5.851 1.00 11.16 0 B 2 +ATOM 1684 N N . PHE B 1 8 ? 16.590 22.393 0.208 1.00 18.11 0 B 2 +ATOM 1685 C CA . PHE B 1 8 ? 15.488 23.108 -0.419 1.00 20.72 0 B 2 +ATOM 1686 C C . PHE B 1 8 ? 15.583 24.572 0.000 1.00 21.52 0 B 2 +ATOM 1687 O O . PHE B 1 8 ? 16.346 24.917 0.909 1.00 20.79 0 B 2 +ATOM 1688 C CB . PHE B 1 8 ? 14.151 22.557 0.078 1.00 21.53 0 B 2 +ATOM 1689 C CG . PHE B 1 8 ? 14.013 21.085 -0.101 1.00 28.44 0 B 2 +ATOM 1690 C CD1 . PHE B 1 8 ? 13.751 20.544 -1.359 1.00 24.39 0 B 2 +ATOM 1691 C CD2 . PHE B 1 8 ? 14.171 20.231 0.984 1.00 27.57 0 B 2 +ATOM 1692 C CE1 . PHE B 1 8 ? 13.651 19.170 -1.534 1.00 26.63 0 B 2 +ATOM 1693 C CE2 . PHE B 1 8 ? 14.073 18.856 0.823 1.00 30.65 0 B 2 +ATOM 1694 C CZ . PHE B 1 8 ? 13.814 18.321 -0.441 1.00 32.00 0 B 2 +ATOM 1695 N N . PRO B 1 9 ? 14.820 25.458 -0.648 1.00 21.54 0 B 2 +ATOM 1696 C CA . PRO B 1 9 ? 14.901 26.869 -0.263 1.00 19.80 0 B 2 +ATOM 1697 C C . PRO B 1 9 ? 14.032 27.195 0.963 1.00 20.15 0 B 2 +ATOM 1698 O O . PRO B 1 9 ? 13.036 27.930 0.865 1.00 20.07 0 B 2 +ATOM 1699 C CB . PRO B 1 9 ? 14.424 27.589 -1.515 1.00 23.28 0 B 2 +ATOM 1700 C CG . PRO B 1 9 ? 13.336 26.648 -2.013 1.00 24.91 0 B 2 +ATOM 1701 C CD . PRO B 1 9 ? 13.991 25.283 -1.864 1.00 20.14 0 B 2 +ATOM 1702 N N . VAL B 1 10 ? 14.407 26.628 2.105 1.00 24.02 0 B 2 +ATOM 1703 C CA . VAL B 1 10 ? 13.715 26.842 3.381 1.00 20.78 0 B 2 +ATOM 1704 C C . VAL B 1 10 ? 14.797 26.743 4.458 1.00 21.86 0 B 2 +ATOM 1705 O O . VAL B 1 10 ? 15.868 26.170 4.219 1.00 21.71 0 B 2 +ATOM 1706 C CB . VAL B 1 10 ? 12.645 25.754 3.675 1.00 20.30 0 B 2 +ATOM 1707 C CG1 . VAL B 1 10 ? 11.716 25.568 2.483 1.00 21.54 0 B 2 +ATOM 1708 C CG2 . VAL B 1 10 ? 13.304 24.435 4.020 1.00 25.11 0 B 2 +ATOM 1709 N N . ARG B 1 11 ? 14.535 27.302 5.632 1.00 14.84 0 B 2 +ATOM 1710 C CA . ARG B 1 11 ? 15.518 27.236 6.700 1.00 19.38 0 B 2 +ATOM 1711 C C . ARG B 1 11 ? 15.538 25.803 7.221 1.00 16.20 0 B 2 +ATOM 1712 O O . ARG B 1 11 ? 16.562 25.106 7.133 1.00 14.67 0 B 2 +ATOM 1713 C CB . ARG B 1 11 ? 15.170 28.242 7.800 1.00 15.30 0 B 2 +ATOM 1714 C CG . ARG B 1 11 ? 15.108 29.654 7.281 1.00 13.72 0 B 2 +ATOM 1715 C CD . ARG B 1 11 ? 14.822 30.669 8.365 1.00 17.28 0 B 2 +ATOM 1716 N NE . ARG B 1 11 ? 14.541 31.959 7.760 1.00 18.48 0 B 2 +ATOM 1717 C CZ . ARG B 1 11 ? 13.823 32.919 8.326 1.00 13.13 0 B 2 +ATOM 1718 N NH1 . ARG B 1 11 ? 13.308 32.737 9.531 1.00 17.59 0 B 2 +ATOM 1719 N NH2 . ARG B 1 11 ? 13.587 34.037 7.668 1.00 19.79 0 B 2 +ATOM 1720 N N . GLY B 1 12 ? 14.385 25.375 7.726 1.00 14.97 0 B 2 +ATOM 1721 C CA . GLY B 1 12 ? 14.221 24.028 8.238 1.00 16.27 0 B 2 +ATOM 1722 C C . GLY B 1 12 ? 15.431 23.469 8.963 1.00 16.27 0 B 2 +ATOM 1723 O O . GLY B 1 12 ? 16.058 24.156 9.766 1.00 18.48 0 B 2 +ATOM 1724 N N . ARG B 1 13 ? 15.838 22.264 8.584 1.00 13.50 0 B 2 +ATOM 1725 C CA . ARG B 1 13 ? 16.949 21.586 9.237 1.00 13.12 0 B 2 +ATOM 1726 C C . ARG B 1 13 ? 18.342 22.079 8.893 1.00 14.05 0 B 2 +ATOM 1727 O O . ARG B 1 13 ? 19.334 21.477 9.307 1.00 13.51 0 B 2 +ATOM 1728 C CB . ARG B 1 13 ? 16.832 20.082 9.010 1.00 9.15 0 B 2 +ATOM 1729 C CG . ARG B 1 13 ? 15.657 19.489 9.744 1.00 4.44 0 B 2 +ATOM 1730 C CD . ARG B 1 13 ? 15.613 17.987 9.611 1.00 12.73 0 B 2 +ATOM 1731 N NE . ARG B 1 13 ? 14.735 17.368 10.611 1.00 19.02 0 B 2 +ATOM 1732 C CZ . ARG B 1 13 ? 15.111 17.047 11.850 1.00 12.00 0 B 2 +ATOM 1733 N NH1 . ARG B 1 13 ? 16.348 17.286 12.266 1.00 10.75 0 B 2 +ATOM 1734 N NH2 . ARG B 1 13 ? 14.247 16.485 12.680 1.00 13.35 0 B 2 +ATOM 1735 N N . CYS B 1 14 ? 18.437 23.169 8.147 1.00 10.29 0 B 2 +ATOM 1736 C CA . CYS B 1 14 ? 19.755 23.699 7.802 1.00 15.69 0 B 2 +ATOM 1737 C C . CYS B 1 14 ? 20.037 25.015 8.515 1.00 10.57 0 B 2 +ATOM 1738 O O . CYS B 1 14 ? 21.192 25.438 8.628 1.00 17.13 0 B 2 +ATOM 1739 C CB . CYS B 1 14 ? 19.877 23.892 6.285 1.00 14.82 0 B 2 +ATOM 1740 S SG . CYS B 1 14 ? 19.860 22.369 5.331 1.00 19.67 0 B 2 +ATOM 1741 N N . ALA B 1 15 ? 18.990 25.622 9.061 1.00 13.71 0 B 2 +ATOM 1742 C CA . ALA B 1 15 ? 19.094 26.900 9.739 1.00 13.88 0 B 2 +ATOM 1743 C C . ALA B 1 15 ? 20.205 26.939 10.774 1.00 11.11 0 B 2 +ATOM 1744 O O . ALA B 1 15 ? 21.083 27.799 10.717 1.00 16.99 0 B 2 +ATOM 1745 C CB . ALA B 1 15 ? 17.751 27.262 10.362 1.00 6.58 0 B 2 +ATOM 1746 N N . ALA B 1 16 ? 20.205 25.962 11.671 1.00 14.29 0 B 2 +ATOM 1747 C CA . ALA B 1 16 ? 21.208 25.906 12.723 1.00 11.83 0 B 2 +ATOM 1748 C C . ALA B 1 16 ? 22.618 25.831 12.187 1.00 15.77 0 B 2 +ATOM 1749 O O . ALA B 1 16 ? 23.441 26.720 12.447 1.00 17.33 0 B 2 +ATOM 1750 C CB . ALA B 1 16 ? 20.948 24.755 13.654 1.00 9.46 0 B 2 +ATOM 1751 N N . LEU B 1 17 ? 22.883 24.818 11.366 1.00 18.54 0 B 2 +ATOM 1752 C CA . LEU B 1 17 ? 24.229 24.612 10.828 1.00 15.95 0 B 2 +ATOM 1753 C C . LEU B 1 17 ? 24.709 25.814 10.023 1.00 10.49 0 B 2 +ATOM 1754 O O . LEU B 1 17 ? 25.906 26.039 9.905 1.00 16.44 0 B 2 +ATOM 1755 C CB . LEU B 1 17 ? 24.294 23.312 10.000 1.00 12.67 0 B 2 +ATOM 1756 C CG . LEU B 1 17 ? 23.483 23.181 8.715 1.00 11.14 0 B 2 +ATOM 1757 C CD1 . LEU B 1 17 ? 24.343 23.553 7.548 1.00 3.24 0 B 2 +ATOM 1758 C CD2 . LEU B 1 17 ? 22.990 21.748 8.523 1.00 12.33 0 B 2 +ATOM 1759 N N . ARG B 1 18 ? 23.772 26.553 9.444 1.00 11.81 0 B 2 +ATOM 1760 C CA . ARG B 1 18 ? 24.113 27.742 8.682 1.00 12.23 0 B 2 +ATOM 1761 C C . ARG B 1 18 ? 24.539 28.819 9.666 1.00 10.45 0 B 2 +ATOM 1762 O O . ARG B 1 18 ? 25.533 29.516 9.446 1.00 16.59 0 B 2 +ATOM 1763 C CB . ARG B 1 18 ? 22.912 28.211 7.872 1.00 8.73 0 B 2 +ATOM 1764 C CG . ARG B 1 18 ? 22.645 27.356 6.692 1.00 7.20 0 B 2 +ATOM 1765 C CD . ARG B 1 18 ? 21.323 27.710 6.101 1.00 13.69 0 B 2 +ATOM 1766 N NE . ARG B 1 18 ? 21.159 27.107 4.785 1.00 13.61 0 B 2 +ATOM 1767 C CZ . ARG B 1 18 ? 19.984 26.767 4.271 1.00 10.96 0 B 2 +ATOM 1768 N NH1 . ARG B 1 18 ? 18.874 26.945 4.973 1.00 12.63 0 B 2 +ATOM 1769 N NH2 . ARG B 1 18 ? 19.911 26.317 3.034 1.00 14.54 0 B 2 +ATOM 1770 N N . MET B 1 19 ? 23.803 28.933 10.766 1.00 13.30 0 B 2 +ATOM 1771 C CA . MET B 1 19 ? 24.139 29.923 11.783 1.00 10.84 0 B 2 +ATOM 1772 C C . MET B 1 19 ? 25.549 29.658 12.268 1.00 12.29 0 B 2 +ATOM 1773 O O . MET B 1 19 ? 26.364 30.575 12.349 1.00 16.25 0 B 2 +ATOM 1774 C CB . MET B 1 19 ? 23.160 29.858 12.954 1.00 7.48 0 B 2 +ATOM 1775 C CG . MET B 1 19 ? 21.748 30.216 12.570 1.00 11.33 0 B 2 +ATOM 1776 S SD . MET B 1 19 ? 20.687 30.484 14.000 1.00 20.62 0 B 2 +ATOM 1777 C CE . MET B 1 19 ? 20.561 28.901 14.569 1.00 23.54 0 B 2 +ATOM 1778 N N . LEU B 1 20 ? 25.848 28.382 12.499 1.00 14.03 0 B 2 +ATOM 1779 C CA . LEU B 1 20 ? 27.159 27.952 12.981 1.00 14.46 0 B 2 +ATOM 1780 C C . LEU B 1 20 ? 28.256 28.412 12.045 1.00 11.96 0 B 2 +ATOM 1781 O O . LEU B 1 20 ? 29.163 29.129 12.454 1.00 22.84 0 B 2 +ATOM 1782 C CB . LEU B 1 20 ? 27.200 26.421 13.148 1.00 8.64 0 B 2 +ATOM 1783 C CG . LEU B 1 20 ? 28.427 25.773 13.796 1.00 5.60 0 B 2 +ATOM 1784 C CD1 . LEU B 1 20 ? 28.015 24.416 14.385 1.00 10.58 0 B 2 +ATOM 1785 C CD2 . LEU B 1 20 ? 29.570 25.592 12.799 1.00 2.05 0 B 2 +ATOM 1786 N N . LEU B 1 21 ? 28.179 27.978 10.795 1.00 13.96 0 B 2 +ATOM 1787 C CA . LEU B 1 21 ? 29.177 28.325 9.781 1.00 14.99 0 B 2 +ATOM 1788 C C . LEU B 1 21 ? 29.422 29.822 9.724 1.00 18.05 0 B 2 +ATOM 1789 O O . LEU B 1 21 ? 30.558 30.282 9.833 1.00 19.87 0 B 2 +ATOM 1790 C CB . LEU B 1 21 ? 28.706 27.834 8.416 1.00 11.76 0 B 2 +ATOM 1791 C CG . LEU B 1 21 ? 28.785 26.320 8.308 1.00 11.56 0 B 2 +ATOM 1792 C CD1 . LEU B 1 21 ? 28.014 25.820 7.115 1.00 14.81 0 B 2 +ATOM 1793 C CD2 . LEU B 1 21 ? 30.234 25.911 8.239 1.00 6.15 0 B 2 +ATOM 1794 N N . ALA B 1 22 ? 28.333 30.574 9.605 1.00 23.60 0 B 2 +ATOM 1795 C CA . ALA B 1 22 ? 28.390 32.025 9.536 1.00 21.34 0 B 2 +ATOM 1796 C C . ALA B 1 22 ? 29.101 32.579 10.762 1.00 20.82 0 B 2 +ATOM 1797 O O . ALA B 1 22 ? 30.104 33.285 10.641 1.00 22.49 0 B 2 +ATOM 1798 C CB . ALA B 1 22 ? 26.976 32.596 9.436 1.00 17.23 0 B 2 +ATOM 1799 N N . ASP B 1 23 ? 28.608 32.203 11.940 1.00 18.61 0 B 2 +ATOM 1800 C CA . ASP B 1 23 ? 29.175 32.675 13.192 1.00 16.42 0 B 2 +ATOM 1801 C C . ASP B 1 23 ? 30.639 32.303 13.321 1.00 19.05 0 B 2 +ATOM 1802 O O . ASP B 1 23 ? 31.425 33.071 13.879 1.00 20.06 0 B 2 +ATOM 1803 C CB . ASP B 1 23 ? 28.394 32.138 14.404 1.00 22.68 0 B 2 +ATOM 1804 C CG . ASP B 1 23 ? 28.571 33.008 15.676 1.00 23.00 0 B 2 +ATOM 1805 O OD1 . ASP B 1 23 ? 28.608 34.254 15.542 1.00 25.24 0 B 2 +ATOM 1806 O OD2 . ASP B 1 23 ? 28.671 32.446 16.789 1.00 20.31 0 B 2 +ATOM 1807 N N . GLN B 1 24 ? 31.012 31.142 12.790 1.00 18.07 0 B 2 +ATOM 1808 C CA . GLN B 1 24 ? 32.401 30.691 12.881 1.00 17.60 0 B 2 +ATOM 1809 C C . GLN B 1 24 ? 33.284 31.262 11.791 1.00 14.83 0 B 2 +ATOM 1810 O O . GLN B 1 24 ? 34.457 30.908 11.695 1.00 20.83 0 B 2 +ATOM 1811 C CB . GLN B 1 24 ? 32.478 29.159 12.904 1.00 19.14 0 B 2 +ATOM 1812 C CG . GLN B 1 24 ? 31.924 28.534 14.197 1.00 15.09 0 B 2 +ATOM 1813 C CD . GLN B 1 24 ? 32.561 29.095 15.465 1.00 12.90 0 B 2 +ATOM 1814 N NE2 . GLN B 1 24 ? 33.884 29.127 15.495 1.00 13.81 0 B 2 +ATOM 1815 O OE1 . GLN B 1 24 ? 31.868 29.482 16.415 1.00 12.05 0 B 2 +ATOM 1816 N N . GLY B 1 25 ? 32.714 32.147 10.978 1.00 22.04 0 B 2 +ATOM 1817 C CA . GLY B 1 25 ? 33.464 32.791 9.918 1.00 20.10 0 B 2 +ATOM 1818 C C . GLY B 1 25 ? 33.798 31.841 8.793 1.00 23.51 0 B 2 +ATOM 1819 O O . GLY B 1 25 ? 34.771 32.037 8.068 1.00 28.36 0 B 2 +ATOM 1820 N N . GLN B 1 26 ? 33.005 30.791 8.661 1.00 22.95 0 B 2 +ATOM 1821 C CA . GLN B 1 26 ? 33.241 29.804 7.626 1.00 22.49 0 B 2 +ATOM 1822 C C . GLN B 1 26 ? 32.518 30.154 6.333 1.00 24.12 0 B 2 +ATOM 1823 O O . GLN B 1 26 ? 31.481 30.821 6.347 1.00 26.60 0 B 2 +ATOM 1824 C CB . GLN B 1 26 ? 32.818 28.418 8.126 1.00 22.18 0 B 2 +ATOM 1825 C CG . GLN B 1 26 ? 33.570 27.955 9.374 1.00 19.74 0 B 2 +ATOM 1826 C CD . GLN B 1 26 ? 35.075 27.896 9.168 1.00 23.50 0 B 2 +ATOM 1827 N NE2 . GLN B 1 26 ? 35.832 28.146 10.227 1.00 23.87 0 B 2 +ATOM 1828 O OE1 . GLN B 1 26 ? 35.553 27.648 8.062 1.00 32.26 0 B 2 +ATOM 1829 N N . SER B 1 27 ? 33.066 29.704 5.210 1.00 30.00 0 B 2 +ATOM 1830 C CA . SER B 1 27 ? 32.459 29.962 3.903 1.00 28.75 0 B 2 +ATOM 1831 C C . SER B 1 27 ? 31.845 28.680 3.353 1.00 26.59 0 B 2 +ATOM 1832 O O . SER B 1 27 ? 32.437 27.604 3.480 1.00 23.02 0 B 2 +ATOM 1833 C CB . SER B 1 27 ? 33.522 30.467 2.913 1.00 30.97 0 B 2 +ATOM 1834 O OG . SER B 1 27 ? 33.929 31.802 3.185 1.00 34.30 0 B 2 +ATOM 1835 N N . TRP B 1 28 ? 30.686 28.798 2.711 1.00 21.76 0 B 2 +ATOM 1836 C CA . TRP B 1 28 ? 30.047 27.626 2.137 1.00 20.45 0 B 2 +ATOM 1837 C C . TRP B 1 28 ? 29.215 27.942 0.895 1.00 19.73 0 B 2 +ATOM 1838 O O . TRP B 1 28 ? 28.760 29.062 0.693 1.00 17.27 0 B 2 +ATOM 1839 C CB . TRP B 1 28 ? 29.193 26.909 3.187 1.00 14.02 0 B 2 +ATOM 1840 C CG . TRP B 1 28 ? 27.924 27.599 3.532 1.00 11.82 0 B 2 +ATOM 1841 C CD1 . TRP B 1 28 ? 26.675 27.286 3.075 1.00 14.47 0 B 2 +ATOM 1842 C CD2 . TRP B 1 28 ? 27.754 28.667 4.472 1.00 10.80 0 B 2 +ATOM 1843 C CE2 . TRP B 1 28 ? 26.372 28.939 4.538 1.00 8.72 0 B 2 +ATOM 1844 C CE3 . TRP B 1 28 ? 28.639 29.419 5.253 1.00 13.17 0 B 2 +ATOM 1845 N NE1 . TRP B 1 28 ? 25.740 28.085 3.681 1.00 12.74 0 B 2 +ATOM 1846 C CZ2 . TRP B 1 28 ? 25.847 29.932 5.375 1.00 7.25 0 B 2 +ATOM 1847 C CZ3 . TRP B 1 28 ? 28.117 30.403 6.079 1.00 12.31 0 B 2 +ATOM 1848 C CH2 . TRP B 1 28 ? 26.730 30.650 6.129 1.00 12.18 0 B 2 +ATOM 1849 N N . LYS B 1 29 ? 29.010 26.928 0.077 1.00 19.11 0 B 2 +ATOM 1850 C CA . LYS B 1 29 ? 28.245 27.056 -1.143 1.00 23.10 0 B 2 +ATOM 1851 C C . LYS B 1 29 ? 26.859 26.486 -0.891 1.00 25.89 0 B 2 +ATOM 1852 O O . LYS B 1 29 ? 26.698 25.464 -0.204 1.00 24.44 0 B 2 +ATOM 1853 C CB . LYS B 1 29 ? 28.953 26.276 -2.258 1.00 29.87 0 B 2 +ATOM 1854 C CG . LYS B 1 29 ? 28.074 25.783 -3.393 1.00 41.03 0 B 2 +ATOM 1855 C CD . LYS B 1 29 ? 27.851 26.827 -4.471 1.00 54.60 0 B 2 +ATOM 1856 C CE . LYS B 1 29 ? 26.983 26.248 -5.579 1.00 60.22 0 B 2 +ATOM 1857 N NZ . LYS B 1 29 ? 27.542 24.963 -6.126 1.00 66.25 0 B 2 +ATOM 1858 N N . GLU B 1 30 ? 25.853 27.159 -1.434 1.00 27.09 0 B 2 +ATOM 1859 C CA . GLU B 1 30 ? 24.478 26.727 -1.284 1.00 22.76 0 B 2 +ATOM 1860 C C . GLU B 1 30 ? 23.934 26.132 -2.574 1.00 27.22 0 B 2 +ATOM 1861 O O . GLU B 1 30 ? 23.807 26.831 -3.579 1.00 28.14 0 B 2 +ATOM 1862 C CB . GLU B 1 30 ? 23.588 27.906 -0.870 1.00 24.71 0 B 2 +ATOM 1863 C CG . GLU B 1 30 ? 23.750 28.365 0.575 1.00 25.60 0 B 2 +ATOM 1864 C CD . GLU B 1 30 ? 22.999 27.503 1.568 1.00 22.68 0 B 2 +ATOM 1865 O OE1 . GLU B 1 30 ? 22.496 26.426 1.187 1.00 25.52 0 B 2 +ATOM 1866 O OE2 . GLU B 1 30 ? 22.912 27.917 2.735 1.00 25.33 0 B 2 +ATOM 1867 N N . GLU B 1 31 ? 23.646 24.838 -2.550 1.00 29.40 0 B 2 +ATOM 1868 C CA . GLU B 1 31 ? 23.059 24.162 -3.697 1.00 30.25 0 B 2 +ATOM 1869 C C . GLU B 1 31 ? 21.569 24.087 -3.409 1.00 29.50 0 B 2 +ATOM 1870 O O . GLU B 1 31 ? 21.132 23.324 -2.547 1.00 29.93 0 B 2 +ATOM 1871 C CB . GLU B 1 31 ? 23.634 22.763 -3.854 1.00 34.26 0 B 2 +ATOM 1872 C CG . GLU B 1 31 ? 24.971 22.758 -4.549 1.00 47.90 0 B 2 +ATOM 1873 C CD . GLU B 1 31 ? 24.839 22.905 -6.049 1.00 54.07 0 B 2 +ATOM 1874 O OE1 . GLU B 1 31 ? 24.454 23.992 -6.533 1.00 53.62 0 B 2 +ATOM 1875 O OE2 . GLU B 1 31 ? 25.122 21.916 -6.750 1.00 66.85 0 B 2 +ATOM 1876 N N . VAL B 1 32 ? 20.806 24.939 -4.079 1.00 29.27 0 B 2 +ATOM 1877 C CA . VAL B 1 32 ? 19.365 25.007 -3.900 1.00 26.39 0 B 2 +ATOM 1878 C C . VAL B 1 32 ? 18.671 23.962 -4.752 1.00 30.94 0 B 2 +ATOM 1879 O O . VAL B 1 32 ? 18.923 23.855 -5.949 1.00 39.04 0 B 2 +ATOM 1880 C CB . VAL B 1 32 ? 18.835 26.403 -4.285 1.00 30.62 0 B 2 +ATOM 1881 C CG1 . VAL B 1 32 ? 17.323 26.476 -4.078 1.00 25.87 0 B 2 +ATOM 1882 C CG2 . VAL B 1 32 ? 19.550 27.474 -3.465 1.00 26.68 0 B 2 +ATOM 1883 N N . VAL B 1 33 ? 17.794 23.192 -4.125 1.00 32.24 0 B 2 +ATOM 1884 C CA . VAL B 1 33 ? 17.049 22.143 -4.803 1.00 26.40 0 B 2 +ATOM 1885 C C . VAL B 1 33 ? 15.582 22.548 -4.801 1.00 31.56 0 B 2 +ATOM 1886 O O . VAL B 1 33 ? 15.039 22.930 -3.764 1.00 33.69 0 B 2 +ATOM 1887 C CB . VAL B 1 33 ? 17.232 20.799 -4.072 1.00 24.47 0 B 2 +ATOM 1888 C CG1 . VAL B 1 33 ? 16.429 19.704 -4.733 1.00 23.77 0 B 2 +ATOM 1889 C CG2 . VAL B 1 33 ? 18.705 20.435 -4.046 1.00 21.90 0 B 2 +ATOM 1890 N N . THR B 1 34 ? 14.969 22.556 -5.979 1.00 36.24 0 B 2 +ATOM 1891 C CA . THR B 1 34 ? 13.563 22.916 -6.098 1.00 39.40 0 B 2 +ATOM 1892 C C . THR B 1 34 ? 12.676 21.690 -6.095 1.00 39.86 0 B 2 +ATOM 1893 O O . THR B 1 34 ? 13.127 20.587 -6.404 1.00 37.37 0 B 2 +ATOM 1894 C CB . THR B 1 34 ? 13.282 23.692 -7.389 1.00 38.77 0 B 2 +ATOM 1895 C CG2 . THR B 1 34 ? 13.871 25.083 -7.308 1.00 44.18 0 B 2 +ATOM 1896 O OG1 . THR B 1 34 ? 13.841 22.987 -8.505 1.00 45.87 0 B 2 +ATOM 1897 N N . VAL B 1 35 ? 11.390 21.906 -5.832 1.00 47.64 0 B 2 +ATOM 1898 C CA . VAL B 1 35 ? 10.420 20.824 -5.791 1.00 53.28 0 B 2 +ATOM 1899 C C . VAL B 1 35 ? 10.438 20.021 -7.094 1.00 54.22 0 B 2 +ATOM 1900 O O . VAL B 1 35 ? 10.324 18.796 -7.078 1.00 51.37 0 B 2 +ATOM 1901 C CB . VAL B 1 35 ? 8.986 21.351 -5.480 1.00 56.47 0 B 2 +ATOM 1902 C CG1 . VAL B 1 35 ? 8.384 22.077 -6.687 1.00 58.28 0 B 2 +ATOM 1903 C CG2 . VAL B 1 35 ? 8.085 20.209 -5.013 1.00 60.50 0 B 2 +ATOM 1904 N N . GLU B 1 36 ? 10.644 20.715 -8.210 1.00 58.43 0 B 2 +ATOM 1905 C CA . GLU B 1 36 ? 10.693 20.071 -9.520 1.00 61.12 0 B 2 +ATOM 1906 C C . GLU B 1 36 ? 11.898 19.137 -9.611 1.00 57.43 0 B 2 +ATOM 1907 O O . GLU B 1 36 ? 11.764 17.961 -9.968 1.00 57.50 0 B 2 +ATOM 1908 C CB . GLU B 1 36 ? 10.759 21.119 -10.645 1.00 67.67 0 B 2 +ATOM 1909 C CG . GLU B 1 36 ? 9.598 22.118 -10.664 1.00 76.81 0 B 2 +ATOM 1910 C CD . GLU B 1 36 ? 9.981 23.480 -10.106 1.00 82.50 0 B 2 +ATOM 1911 O OE1 . GLU B 1 36 ? 10.924 24.104 -10.644 1.00 85.34 0 B 2 +ATOM 1912 O OE2 . GLU B 1 36 ? 9.331 23.938 -9.140 1.00 85.98 0 B 2 +ATOM 1913 N N . THR B 1 37 ? 13.062 19.663 -9.249 1.00 52.77 0 B 2 +ATOM 1914 C CA . THR B 1 37 ? 14.303 18.896 -9.279 1.00 46.99 0 B 2 +ATOM 1915 C C . THR B 1 37 ? 14.213 17.658 -8.379 1.00 47.18 0 B 2 +ATOM 1916 O O . THR B 1 37 ? 14.723 16.584 -8.715 1.00 45.53 0 B 2 +ATOM 1917 C CB . THR B 1 37 ? 15.480 19.777 -8.829 1.00 44.38 0 B 2 +ATOM 1918 C CG2 . THR B 1 37 ? 16.799 19.058 -9.040 1.00 38.19 0 B 2 +ATOM 1919 O OG1 . THR B 1 37 ? 15.467 21.004 -9.573 1.00 35.05 0 B 2 +ATOM 1920 N N . TRP B 1 38 ? 13.519 17.803 -7.254 1.00 42.94 0 B 2 +ATOM 1921 C CA . TRP B 1 38 ? 13.368 16.704 -6.321 1.00 43.28 0 B 2 +ATOM 1922 C C . TRP B 1 38 ? 12.399 15.671 -6.864 1.00 47.41 0 B 2 +ATOM 1923 O O . TRP B 1 38 ? 12.695 14.477 -6.874 1.00 50.08 0 B 2 +ATOM 1924 C CB . TRP B 1 38 ? 12.857 17.217 -4.978 1.00 36.44 0 B 2 +ATOM 1925 C CG . TRP B 1 38 ? 12.913 16.191 -3.887 1.00 33.30 0 B 2 +ATOM 1926 C CD1 . TRP B 1 38 ? 11.855 15.633 -3.220 1.00 32.64 0 B 2 +ATOM 1927 C CD2 . TRP B 1 38 ? 14.099 15.622 -3.308 1.00 28.13 0 B 2 +ATOM 1928 C CE2 . TRP B 1 38 ? 13.684 14.725 -2.297 1.00 29.08 0 B 2 +ATOM 1929 C CE3 . TRP B 1 38 ? 15.472 15.780 -3.550 1.00 25.40 0 B 2 +ATOM 1930 N NE1 . TRP B 1 38 ? 12.312 14.752 -2.260 1.00 31.63 0 B 2 +ATOM 1931 C CZ2 . TRP B 1 38 ? 14.596 14.000 -1.518 1.00 23.42 0 B 2 +ATOM 1932 C CZ3 . TRP B 1 38 ? 16.378 15.055 -2.775 1.00 21.21 0 B 2 +ATOM 1933 C CH2 . TRP B 1 38 ? 15.931 14.176 -1.778 1.00 18.10 0 B 2 +ATOM 1934 N N . GLN B 1 39 ? 11.257 16.135 -7.357 1.00 52.69 0 B 2 +ATOM 1935 C CA . GLN B 1 39 ? 10.236 15.238 -7.881 1.00 56.62 0 B 2 +ATOM 1936 C C . GLN B 1 39 ? 10.684 14.499 -9.136 1.00 56.84 0 B 2 +ATOM 1937 O O . GLN B 1 39 ? 9.953 13.665 -9.672 1.00 60.81 0 B 2 +ATOM 1938 C CB . GLN B 1 39 ? 8.913 15.987 -8.092 1.00 57.23 0 B 2 +ATOM 1939 C CG . GLN B 1 39 ? 8.266 16.426 -6.778 1.00 60.47 0 B 2 +ATOM 1940 C CD . GLN B 1 39 ? 7.030 17.290 -6.976 1.00 65.34 0 B 2 +ATOM 1941 N NE2 . GLN B 1 39 ? 6.207 17.384 -5.939 1.00 64.94 0 B 2 +ATOM 1942 O OE1 . GLN B 1 39 ? 6.827 17.876 -8.040 1.00 67.75 0 B 2 +ATOM 1943 N N . GLU B 1 40 ? 11.888 14.808 -9.604 1.00 57.04 0 B 2 +ATOM 1944 C CA . GLU B 1 40 ? 12.439 14.136 -10.766 1.00 56.97 0 B 2 +ATOM 1945 C C . GLU B 1 40 ? 12.998 12.775 -10.319 1.00 58.80 0 B 2 +ATOM 1946 O O . GLU B 1 40 ? 13.202 11.872 -11.133 1.00 61.94 0 B 2 +ATOM 1947 C CB . GLU B 1 40 ? 13.517 15.004 -11.401 1.00 55.00 0 B 2 +ATOM 1948 C CG . GLU B 1 40 ? 13.976 14.509 -12.740 1.00 60.21 0 B 2 +ATOM 1949 C CD . GLU B 1 40 ? 15.315 13.823 -12.667 1.00 62.90 0 B 2 +ATOM 1950 O OE1 . GLU B 1 40 ? 16.334 14.540 -12.646 1.00 68.20 0 B 2 +ATOM 1951 O OE2 . GLU B 1 40 ? 15.357 12.574 -12.643 1.00 66.48 0 B 2 +ATOM 1952 N N . GLY B 1 41 ? 13.277 12.657 -9.020 1.00 55.91 0 B 2 +ATOM 1953 C CA . GLY B 1 41 ? 13.765 11.411 -8.450 1.00 50.06 0 B 2 +ATOM 1954 C C . GLY B 1 41 ? 15.253 11.117 -8.462 1.00 48.42 0 B 2 +ATOM 1955 O O . GLY B 1 41 ? 15.749 10.410 -7.579 1.00 48.44 0 B 2 +ATOM 1956 N N . SER B 1 42 ? 15.977 11.680 -9.422 1.00 46.90 0 B 2 +ATOM 1957 C CA . SER B 1 42 ? 17.414 11.443 -9.548 1.00 50.18 0 B 2 +ATOM 1958 C C . SER B 1 42 ? 18.242 11.713 -8.290 1.00 46.83 0 B 2 +ATOM 1959 O O . SER B 1 42 ? 18.987 10.846 -7.830 1.00 45.75 0 B 2 +ATOM 1960 C CB . SER B 1 42 ? 17.966 12.272 -10.702 1.00 52.48 0 B 2 +ATOM 1961 O OG . SER B 1 42 ? 17.570 13.620 -10.558 1.00 59.18 0 B 2 +ATOM 1962 N N . LEU B 1 43 ? 18.129 12.924 -7.755 1.00 45.86 0 B 2 +ATOM 1963 C CA . LEU B 1 43 ? 18.885 13.298 -6.562 1.00 40.05 0 B 2 +ATOM 1964 C C . LEU B 1 43 ? 18.398 12.511 -5.350 1.00 34.71 0 B 2 +ATOM 1965 O O . LEU B 1 43 ? 19.205 12.025 -4.563 1.00 35.66 0 B 2 +ATOM 1966 C CB . LEU B 1 43 ? 18.782 14.811 -6.320 1.00 41.14 0 B 2 +ATOM 1967 C CG . LEU B 1 43 ? 19.863 15.520 -5.484 1.00 42.51 0 B 2 +ATOM 1968 C CD1 . LEU B 1 43 ? 19.557 15.446 -4.009 1.00 46.88 0 B 2 +ATOM 1969 C CD2 . LEU B 1 43 ? 21.239 14.952 -5.790 1.00 39.74 0 B 2 +ATOM 1970 N N . LYS B 1 44 ? 17.086 12.324 -5.244 1.00 26.39 0 B 2 +ATOM 1971 C CA . LYS B 1 44 ? 16.497 11.590 -4.141 1.00 29.50 0 B 2 +ATOM 1972 C C . LYS B 1 44 ? 17.102 10.195 -4.032 1.00 34.06 0 B 2 +ATOM 1973 O O . LYS B 1 44 ? 17.442 9.743 -2.937 1.00 34.77 0 B 2 +ATOM 1974 C CB . LYS B 1 44 ? 14.974 11.478 -4.305 1.00 30.20 0 B 2 +ATOM 1975 C CG . LYS B 1 44 ? 14.284 10.905 -3.069 1.00 28.73 0 B 2 +ATOM 1976 C CD . LYS B 1 44 ? 12.776 10.904 -3.175 1.00 29.18 0 B 2 +ATOM 1977 C CE . LYS B 1 44 ? 12.140 11.023 -1.788 1.00 39.73 0 B 2 +ATOM 1978 N NZ . LYS B 1 44 ? 12.591 10.004 -0.796 1.00 29.73 0 B 2 +ATOM 1979 N N . ALA B 1 45 ? 17.248 9.523 -5.169 1.00 36.39 0 B 2 +ATOM 1980 C CA . ALA B 1 45 ? 17.802 8.175 -5.207 1.00 33.03 0 B 2 +ATOM 1981 C C . ALA B 1 45 ? 19.264 8.126 -4.782 1.00 33.05 0 B 2 +ATOM 1982 O O . ALA B 1 45 ? 19.707 7.148 -4.178 1.00 39.78 0 B 2 +ATOM 1983 C CB . ALA B 1 45 ? 17.626 7.579 -6.603 1.00 35.77 0 B 2 +ATOM 1984 N N . SER B 1 46 ? 20.017 9.171 -5.097 1.00 29.59 0 B 2 +ATOM 1985 C CA . SER B 1 46 ? 21.425 9.216 -4.748 1.00 27.14 0 B 2 +ATOM 1986 C C . SER B 1 46 ? 21.665 9.544 -3.271 1.00 26.02 0 B 2 +ATOM 1987 O O . SER B 1 46 ? 22.794 9.464 -2.787 1.00 25.51 0 B 2 +ATOM 1988 C CB . SER B 1 46 ? 22.147 10.224 -5.644 1.00 29.76 0 B 2 +ATOM 1989 O OG . SER B 1 46 ? 21.546 11.508 -5.556 1.00 31.85 0 B 2 +ATOM 1990 N N . CYS B 1 47 ? 20.618 9.951 -2.566 1.00 23.30 0 B 2 +ATOM 1991 C CA . CYS B 1 47 ? 20.725 10.283 -1.157 1.00 23.13 0 B 2 +ATOM 1992 C C . CYS B 1 47 ? 20.610 9.019 -0.319 1.00 23.47 0 B 2 +ATOM 1993 O O . CYS B 1 47 ? 19.643 8.266 -0.463 1.00 21.06 0 B 2 +ATOM 1994 C CB . CYS B 1 47 ? 19.624 11.277 -0.757 1.00 25.29 0 B 2 +ATOM 1995 S SG . CYS B 1 47 ? 19.826 12.925 -1.457 1.00 28.80 0 B 2 +ATOM 1996 N N . LEU B 1 48 ? 21.525 8.853 0.634 1.00 21.12 0 B 2 +ATOM 1997 C CA . LEU B 1 48 ? 21.551 7.676 1.504 1.00 23.28 0 B 2 +ATOM 1998 C C . LEU B 1 48 ? 20.204 7.255 2.079 1.00 23.28 0 B 2 +ATOM 1999 O O . LEU B 1 48 ? 19.854 6.081 2.063 1.00 24.26 0 B 2 +ATOM 2000 C CB . LEU B 1 48 ? 22.537 7.884 2.635 1.00 20.97 0 B 2 +ATOM 2001 C CG . LEU B 1 48 ? 22.748 6.643 3.504 1.00 24.22 0 B 2 +ATOM 2002 C CD1 . LEU B 1 48 ? 23.360 5.505 2.666 1.00 20.50 0 B 2 +ATOM 2003 C CD2 . LEU B 1 48 ? 23.649 7.014 4.669 1.00 21.29 0 B 2 +ATOM 2004 N N . TYR B 1 49 ? 19.491 8.215 2.663 1.00 24.24 0 B 2 +ATOM 2005 C CA . TYR B 1 49 ? 18.165 7.965 3.226 1.00 23.71 0 B 2 +ATOM 2006 C C . TYR B 1 49 ? 17.074 8.675 2.373 1.00 27.62 0 B 2 +ATOM 2007 O O . TYR B 1 49 ? 15.989 8.997 2.886 1.00 33.21 0 B 2 +ATOM 2008 C CB . TYR B 1 49 ? 18.128 8.441 4.691 1.00 14.19 0 B 2 +ATOM 2009 C CG . TYR B 1 49 ? 19.198 7.821 5.609 1.00 12.84 0 B 2 +ATOM 2010 C CD1 . TYR B 1 49 ? 19.113 6.488 6.038 1.00 14.84 0 B 2 +ATOM 2011 C CD2 . TYR B 1 49 ? 20.297 8.575 6.067 1.00 12.74 0 B 2 +ATOM 2012 C CE1 . TYR B 1 49 ? 20.085 5.921 6.891 1.00 15.75 0 B 2 +ATOM 2013 C CE2 . TYR B 1 49 ? 21.274 8.017 6.921 1.00 15.20 0 B 2 +ATOM 2014 C CZ . TYR B 1 49 ? 21.162 6.699 7.313 1.00 17.93 0 B 2 +ATOM 2015 O OH . TYR B 1 49 ? 22.199 6.184 8.037 1.00 20.26 0 B 2 +ATOM 2016 N N . GLY B 1 50 ? 17.355 8.883 1.081 1.00 23.70 0 B 2 +ATOM 2017 C CA . GLY B 1 50 ? 16.420 9.539 0.164 1.00 24.44 0 B 2 +ATOM 2018 C C . GLY B 1 50 ? 15.927 10.912 0.629 1.00 28.77 0 B 2 +ATOM 2019 O O . GLY B 1 50 ? 14.805 11.337 0.319 1.00 27.66 0 B 2 +ATOM 2020 N N . GLN B 1 51 ? 16.761 11.606 1.394 1.00 27.20 0 B 2 +ATOM 2021 C CA . GLN B 1 51 ? 16.378 12.897 1.919 1.00 23.91 0 B 2 +ATOM 2022 C C . GLN B 1 51 ? 17.516 13.909 2.010 1.00 22.69 0 B 2 +ATOM 2023 O O . GLN B 1 51 ? 18.689 13.544 1.951 1.00 22.12 0 B 2 +ATOM 2024 C CB . GLN B 1 51 ? 15.763 12.741 3.313 1.00 23.65 0 B 2 +ATOM 2025 C CG . GLN B 1 51 ? 14.419 12.040 3.318 1.00 25.97 0 B 2 +ATOM 2026 C CD . GLN B 1 51 ? 13.744 12.122 4.666 1.00 27.56 0 B 2 +ATOM 2027 N NE2 . GLN B 1 51 ? 12.448 12.405 4.653 1.00 32.50 0 B 2 +ATOM 2028 O OE1 . GLN B 1 51 ? 14.375 11.925 5.708 1.00 27.33 0 B 2 +ATOM 2029 N N . LEU B 1 52 ? 17.144 15.181 2.137 1.00 24.08 0 B 2 +ATOM 2030 C CA . LEU B 1 52 ? 18.088 16.294 2.290 1.00 18.76 0 B 2 +ATOM 2031 C C . LEU B 1 52 ? 17.870 16.759 3.736 1.00 19.09 0 B 2 +ATOM 2032 O O . LEU B 1 52 ? 16.878 16.376 4.362 1.00 18.27 0 B 2 +ATOM 2033 C CB . LEU B 1 52 ? 17.744 17.426 1.318 1.00 17.97 0 B 2 +ATOM 2034 C CG . LEU B 1 52 ? 17.800 17.133 -0.177 1.00 17.87 0 B 2 +ATOM 2035 C CD1 . LEU B 1 52 ? 17.414 18.375 -0.949 1.00 19.92 0 B 2 +ATOM 2036 C CD2 . LEU B 1 52 ? 19.188 16.671 -0.568 1.00 18.57 0 B 2 +ATOM 2037 N N . PRO B 1 53 ? 18.767 17.590 4.285 1.00 20.60 0 B 2 +ATOM 2038 C CA . PRO B 1 53 ? 19.988 18.126 3.685 1.00 17.36 0 B 2 +ATOM 2039 C C . PRO B 1 53 ? 21.092 17.125 3.376 1.00 19.27 0 B 2 +ATOM 2040 O O . PRO B 1 53 ? 21.191 16.077 4.008 1.00 20.48 0 B 2 +ATOM 2041 C CB . PRO B 1 53 ? 20.464 19.121 4.753 1.00 19.41 0 B 2 +ATOM 2042 C CG . PRO B 1 53 ? 20.032 18.472 6.024 1.00 13.61 0 B 2 +ATOM 2043 C CD . PRO B 1 53 ? 18.624 18.042 5.679 1.00 19.95 0 B 2 +ATOM 2044 N N . LYS B 1 54 ? 21.889 17.471 2.370 1.00 20.26 0 B 2 +ATOM 2045 C CA . LYS B 1 54 ? 23.036 16.709 1.952 1.00 14.30 0 B 2 +ATOM 2046 C C . LYS B 1 54 ? 24.161 17.710 2.198 1.00 13.60 0 B 2 +ATOM 2047 O O . LYS B 1 54 ? 23.954 18.908 2.033 1.00 16.89 0 B 2 +ATOM 2048 C CB . LYS B 1 54 ? 22.963 16.356 0.460 1.00 12.46 0 B 2 +ATOM 2049 C CG . LYS B 1 54 ? 24.260 15.821 -0.113 1.00 20.55 0 B 2 +ATOM 2050 C CD . LYS B 1 54 ? 24.127 15.546 -1.597 1.00 24.79 0 B 2 +ATOM 2051 C CE . LYS B 1 54 ? 25.489 15.380 -2.248 1.00 27.06 0 B 2 +ATOM 2052 N NZ . LYS B 1 54 ? 25.384 15.084 -3.707 1.00 31.26 0 B 2 +ATOM 2053 N N . PHE B 1 55 ? 25.332 17.242 2.613 1.00 13.42 0 B 2 +ATOM 2054 C CA . PHE B 1 55 ? 26.438 18.129 2.930 1.00 18.50 0 B 2 +ATOM 2055 C C . PHE B 1 55 ? 27.742 17.606 2.348 1.00 22.01 0 B 2 +ATOM 2056 O O . PHE B 1 55 ? 27.961 16.397 2.277 1.00 19.16 0 B 2 +ATOM 2057 C CB . PHE B 1 55 ? 26.592 18.223 4.445 1.00 16.41 0 B 2 +ATOM 2058 C CG . PHE B 1 55 ? 27.478 19.356 4.896 1.00 17.96 0 B 2 +ATOM 2059 C CD1 . PHE B 1 55 ? 27.013 20.669 4.874 1.00 17.52 0 B 2 +ATOM 2060 C CD2 . PHE B 1 55 ? 28.762 19.118 5.365 1.00 19.77 0 B 2 +ATOM 2061 C CE1 . PHE B 1 55 ? 27.811 21.722 5.323 1.00 11.27 0 B 2 +ATOM 2062 C CE2 . PHE B 1 55 ? 29.562 20.164 5.815 1.00 20.95 0 B 2 +ATOM 2063 C CZ . PHE B 1 55 ? 29.077 21.470 5.790 1.00 13.89 0 B 2 +ATOM 2064 N N . GLN B 1 56 ? 28.610 18.517 1.930 1.00 21.28 0 B 2 +ATOM 2065 C CA . GLN B 1 56 ? 29.882 18.109 1.380 1.00 20.79 0 B 2 +ATOM 2066 C C . GLN B 1 56 ? 31.000 18.908 2.024 1.00 23.23 0 B 2 +ATOM 2067 O O . GLN B 1 56 ? 30.895 20.128 2.209 1.00 24.14 0 B 2 +ATOM 2068 C CB . GLN B 1 56 ? 29.892 18.288 -0.140 1.00 24.95 0 B 2 +ATOM 2069 C CG . GLN B 1 56 ? 28.903 17.384 -0.875 1.00 30.61 0 B 2 +ATOM 2070 C CD . GLN B 1 56 ? 28.838 17.656 -2.378 1.00 37.29 0 B 2 +ATOM 2071 N NE2 . GLN B 1 56 ? 28.682 16.598 -3.161 1.00 44.15 0 B 2 +ATOM 2072 O OE1 . GLN B 1 56 ? 28.906 18.799 -2.824 1.00 38.31 0 B 2 +ATOM 2073 N N . ASP B 1 57 ? 32.020 18.191 2.474 1.00 21.60 0 B 2 +ATOM 2074 C CA . ASP B 1 57 ? 33.187 18.796 3.081 1.00 23.99 0 B 2 +ATOM 2075 C C . ASP B 1 57 ? 34.335 18.108 2.356 1.00 27.04 0 B 2 +ATOM 2076 O O . ASP B 1 57 ? 34.791 17.039 2.757 1.00 28.71 0 B 2 +ATOM 2077 C CB . ASP B 1 57 ? 33.248 18.495 4.574 1.00 21.13 0 B 2 +ATOM 2078 C CG . ASP B 1 57 ? 34.412 19.194 5.267 1.00 29.83 0 B 2 +ATOM 2079 O OD1 . ASP B 1 57 ? 35.207 19.902 4.595 1.00 34.77 0 B 2 +ATOM 2080 O OD2 . ASP B 1 57 ? 34.538 19.043 6.498 1.00 29.43 0 B 2 +ATOM 2081 N N . GLY B 1 58 ? 34.786 18.709 1.263 1.00 28.19 0 B 2 +ATOM 2082 C CA . GLY B 1 58 ? 35.838 18.087 0.493 1.00 24.07 0 B 2 +ATOM 2083 C C . GLY B 1 58 ? 35.107 16.944 -0.175 1.00 25.17 0 B 2 +ATOM 2084 O O . GLY B 1 58 ? 33.958 17.126 -0.594 1.00 29.51 0 B 2 +ATOM 2085 N N . ASP B 1 59 ? 35.698 15.753 -0.183 1.00 28.44 0 B 2 +ATOM 2086 C CA . ASP B 1 59 ? 35.050 14.596 -0.805 1.00 30.63 0 B 2 +ATOM 2087 C C . ASP B 1 59 ? 34.197 13.797 0.184 1.00 31.12 0 B 2 +ATOM 2088 O O . ASP B 1 59 ? 33.727 12.699 -0.125 1.00 33.47 0 B 2 +ATOM 2089 C CB . ASP B 1 59 ? 36.090 13.694 -1.485 1.00 31.64 0 B 2 +ATOM 2090 C CG . ASP B 1 59 ? 37.067 13.065 -0.505 1.00 27.74 0 B 2 +ATOM 2091 O OD1 . ASP B 1 59 ? 37.258 13.606 0.606 1.00 28.29 0 B 2 +ATOM 2092 O OD2 . ASP B 1 59 ? 37.654 12.024 -0.854 1.00 28.97 0 B 2 +ATOM 2093 N N . LEU B 1 60 ? 34.018 14.346 1.381 1.00 30.41 0 B 2 +ATOM 2094 C CA . LEU B 1 60 ? 33.217 13.701 2.406 1.00 23.21 0 B 2 +ATOM 2095 C C . LEU B 1 60 ? 31.772 14.151 2.208 1.00 20.38 0 B 2 +ATOM 2096 O O . LEU B 1 60 ? 31.469 15.336 2.323 1.00 15.91 0 B 2 +ATOM 2097 C CB . LEU B 1 60 ? 33.698 14.135 3.793 1.00 25.65 0 B 2 +ATOM 2098 C CG . LEU B 1 60 ? 33.497 13.255 5.031 1.00 23.20 0 B 2 +ATOM 2099 C CD1 . LEU B 1 60 ? 33.118 14.157 6.182 1.00 17.98 0 B 2 +ATOM 2100 C CD2 . LEU B 1 60 ? 32.431 12.185 4.826 1.00 16.50 0 B 2 +ATOM 2101 N N . THR B 1 61 ? 30.901 13.212 1.854 1.00 23.88 0 B 2 +ATOM 2102 C CA . THR B 1 61 ? 29.492 13.525 1.675 1.00 22.51 0 B 2 +ATOM 2103 C C . THR B 1 61 ? 28.763 13.039 2.915 1.00 23.12 0 B 2 +ATOM 2104 O O . THR B 1 61 ? 28.960 11.892 3.333 1.00 21.55 0 B 2 +ATOM 2105 C CB . THR B 1 61 ? 28.898 12.830 0.431 1.00 22.40 0 B 2 +ATOM 2106 C CG2 . THR B 1 61 ? 27.420 13.197 0.271 1.00 21.65 0 B 2 +ATOM 2107 O OG1 . THR B 1 61 ? 29.610 13.245 -0.748 1.00 24.13 0 B 2 +ATOM 2108 N N . LEU B 1 62 ? 27.945 13.910 3.508 1.00 21.64 0 B 2 +ATOM 2109 C CA . LEU B 1 62 ? 27.184 13.575 4.702 1.00 17.75 0 B 2 +ATOM 2110 C C . LEU B 1 62 ? 25.708 13.821 4.537 1.00 19.65 0 B 2 +ATOM 2111 O O . LEU B 1 62 ? 25.287 14.635 3.711 1.00 23.89 0 B 2 +ATOM 2112 C CB . LEU B 1 62 ? 27.662 14.393 5.897 1.00 11.82 0 B 2 +ATOM 2113 C CG . LEU B 1 62 ? 29.039 14.045 6.438 1.00 14.10 0 B 2 +ATOM 2114 C CD1 . LEU B 1 62 ? 29.403 15.069 7.505 1.00 11.80 0 B 2 +ATOM 2115 C CD2 . LEU B 1 62 ? 29.032 12.627 6.996 1.00 9.23 0 B 2 +ATOM 2116 N N . TYR B 1 63 ? 24.928 13.122 5.346 1.00 15.53 0 B 2 +ATOM 2117 C CA . TYR B 1 63 ? 23.494 13.274 5.343 1.00 16.00 0 B 2 +ATOM 2118 C C . TYR B 1 63 ? 23.112 13.361 6.830 1.00 16.11 0 B 2 +ATOM 2119 O O . TYR B 1 63 ? 23.958 13.109 7.682 1.00 15.17 0 B 2 +ATOM 2120 C CB . TYR B 1 63 ? 22.832 12.092 4.610 1.00 16.23 0 B 2 +ATOM 2121 C CG . TYR B 1 63 ? 23.184 11.980 3.105 1.00 15.43 0 B 2 +ATOM 2122 C CD1 . TYR B 1 63 ? 22.431 12.638 2.128 1.00 18.53 0 B 2 +ATOM 2123 C CD2 . TYR B 1 63 ? 24.254 11.203 2.664 1.00 16.61 0 B 2 +ATOM 2124 C CE1 . TYR B 1 63 ? 22.737 12.529 0.767 1.00 14.71 0 B 2 +ATOM 2125 C CE2 . TYR B 1 63 ? 24.568 11.088 1.303 1.00 18.86 0 B 2 +ATOM 2126 C CZ . TYR B 1 63 ? 23.801 11.767 0.365 1.00 17.28 0 B 2 +ATOM 2127 O OH . TYR B 1 63 ? 24.104 11.776 -0.975 1.00 22.28 0 B 2 +ATOM 2128 N N . GLN B 1 64 ? 21.889 13.792 7.130 1.00 18.33 0 B 2 +ATOM 2129 C CA . GLN B 1 64 ? 21.397 13.952 8.500 1.00 15.45 0 B 2 +ATOM 2130 C C . GLN B 1 64 ? 21.934 15.245 9.133 1.00 16.13 0 B 2 +ATOM 2131 O O . GLN B 1 64 ? 23.116 15.360 9.440 1.00 18.87 0 B 2 +ATOM 2132 C CB . GLN B 1 64 ? 21.739 12.721 9.337 1.00 17.45 0 B 2 +ATOM 2133 C CG . GLN B 1 64 ? 21.112 11.444 8.794 1.00 14.78 0 B 2 +ATOM 2134 C CD . GLN B 1 64 ? 19.662 11.315 9.199 1.00 23.27 0 B 2 +ATOM 2135 N NE2 . GLN B 1 64 ? 19.023 10.229 8.794 1.00 24.01 0 B 2 +ATOM 2136 O OE1 . GLN B 1 64 ? 19.131 12.177 9.890 1.00 24.14 0 B 2 +ATOM 2137 N N . SER B 1 65 ? 21.047 16.213 9.333 1.00 12.73 0 B 2 +ATOM 2138 C CA . SER B 1 65 ? 21.408 17.511 9.886 1.00 12.51 0 B 2 +ATOM 2139 C C . SER B 1 65 ? 22.266 17.449 11.141 1.00 11.81 0 B 2 +ATOM 2140 O O . SER B 1 65 ? 23.238 18.185 11.262 1.00 15.58 0 B 2 +ATOM 2141 C CB . SER B 1 65 ? 20.146 18.332 10.154 1.00 11.16 0 B 2 +ATOM 2142 O OG . SER B 1 65 ? 19.226 17.614 10.953 1.00 11.48 0 B 2 +ATOM 2143 N N . ASN B 1 66 ? 21.928 16.555 12.063 1.00 12.83 0 B 2 +ATOM 2144 C CA . ASN B 1 66 ? 22.695 16.430 13.308 1.00 10.07 0 B 2 +ATOM 2145 C C . ASN B 1 66 ? 24.073 15.852 13.088 1.00 8.03 0 B 2 +ATOM 2146 O O . ASN B 1 66 ? 24.982 16.085 13.891 1.00 13.88 0 B 2 +ATOM 2147 C CB . ASN B 1 66 ? 21.927 15.634 14.364 1.00 11.02 0 B 2 +ATOM 2148 C CG . ASN B 1 66 ? 20.631 16.303 14.776 1.00 4.51 0 B 2 +ATOM 2149 N ND2 . ASN B 1 66 ? 20.730 17.469 15.380 1.00 8.90 0 B 2 +ATOM 2150 O OD1 . ASN B 1 66 ? 19.558 15.765 14.563 1.00 13.67 0 B 2 +ATOM 2151 N N . THR B 1 67 ? 24.239 15.100 12.008 1.00 11.64 0 B 2 +ATOM 2152 C CA . THR B 1 67 ? 25.543 14.536 11.673 1.00 15.35 0 B 2 +ATOM 2153 C C . THR B 1 67 ? 26.384 15.709 11.177 1.00 11.18 0 B 2 +ATOM 2154 O O . THR B 1 67 ? 27.572 15.816 11.479 1.00 15.08 0 B 2 +ATOM 2155 C CB . THR B 1 67 ? 25.426 13.464 10.553 1.00 12.27 0 B 2 +ATOM 2156 C CG2 . THR B 1 67 ? 26.800 13.038 10.054 1.00 12.54 0 B 2 +ATOM 2157 O OG1 . THR B 1 67 ? 24.746 12.314 11.072 1.00 14.39 0 B 2 +ATOM 2158 N N . ILE B 1 68 ? 25.749 16.615 10.440 1.00 13.26 0 B 2 +ATOM 2159 C CA . ILE B 1 68 ? 26.463 17.772 9.939 1.00 13.39 0 B 2 +ATOM 2160 C C . ILE B 1 68 ? 26.855 18.634 11.135 1.00 14.17 0 B 2 +ATOM 2161 O O . ILE B 1 68 ? 28.020 19.000 11.280 1.00 12.19 0 B 2 +ATOM 2162 C CB . ILE B 1 68 ? 25.597 18.564 8.958 1.00 13.10 0 B 2 +ATOM 2163 C CG1 . ILE B 1 68 ? 25.200 17.657 7.797 1.00 7.65 0 B 2 +ATOM 2164 C CG2 . ILE B 1 68 ? 26.361 19.778 8.442 1.00 6.73 0 B 2 +ATOM 2165 C CD1 . ILE B 1 68 ? 24.051 18.186 6.964 1.00 11.73 0 B 2 +ATOM 2166 N N . LEU B 1 69 ? 25.890 18.885 12.014 1.00 10.14 0 B 2 +ATOM 2167 C CA . LEU B 1 69 ? 26.116 19.667 13.216 1.00 6.69 0 B 2 +ATOM 2168 C C . LEU B 1 69 ? 27.255 19.080 14.037 1.00 11.27 0 B 2 +ATOM 2169 O O . LEU B 1 69 ? 28.217 19.780 14.372 1.00 20.78 0 B 2 +ATOM 2170 C CB . LEU B 1 69 ? 24.850 19.712 14.050 1.00 8.01 0 B 2 +ATOM 2171 C CG . LEU B 1 69 ? 23.809 20.715 13.580 1.00 14.20 0 B 2 +ATOM 2172 C CD1 . LEU B 1 69 ? 22.548 20.547 14.427 1.00 8.39 0 B 2 +ATOM 2173 C CD2 . LEU B 1 69 ? 24.375 22.147 13.717 1.00 15.97 0 B 2 +ATOM 2174 N N . ARG B 1 70 ? 27.189 17.785 14.318 1.00 12.45 0 B 2 +ATOM 2175 C CA . ARG B 1 70 ? 28.242 17.149 15.092 1.00 12.81 0 B 2 +ATOM 2176 C C . ARG B 1 70 ? 29.572 17.223 14.367 1.00 14.51 0 B 2 +ATOM 2177 O O . ARG B 1 70 ? 30.596 17.547 14.972 1.00 15.19 0 B 2 +ATOM 2178 C CB . ARG B 1 70 ? 27.888 15.700 15.418 1.00 11.01 0 B 2 +ATOM 2179 C CG . ARG B 1 70 ? 26.840 15.594 16.487 1.00 9.96 0 B 2 +ATOM 2180 C CD . ARG B 1 70 ? 26.673 14.176 17.023 1.00 14.20 0 B 2 +ATOM 2181 N NE . ARG B 1 70 ? 25.930 14.232 18.277 1.00 11.80 0 B 2 +ATOM 2182 C CZ . ARG B 1 70 ? 24.611 14.181 18.375 1.00 10.51 0 B 2 +ATOM 2183 N NH1 . ARG B 1 70 ? 23.862 14.028 17.285 1.00 15.75 0 B 2 +ATOM 2184 N NH2 . ARG B 1 70 ? 24.024 14.435 19.533 1.00 13.22 0 B 2 +ATOM 2185 N N . HIS B 1 71 ? 29.555 16.954 13.071 1.00 11.07 0 B 2 +ATOM 2186 C CA . HIS B 1 71 ? 30.776 17.003 12.286 1.00 15.16 0 B 2 +ATOM 2187 C C . HIS B 1 71 ? 31.455 18.373 12.390 1.00 15.92 0 B 2 +ATOM 2188 O O . HIS B 1 71 ? 32.658 18.467 12.634 1.00 19.34 0 B 2 +ATOM 2189 C CB . HIS B 1 71 ? 30.483 16.689 10.819 1.00 15.84 0 B 2 +ATOM 2190 C CG . HIS B 1 71 ? 31.685 16.829 9.941 1.00 14.29 0 B 2 +ATOM 2191 C CD2 . HIS B 1 71 ? 31.958 17.686 8.921 1.00 12.78 0 B 2 +ATOM 2192 N ND1 . HIS B 1 71 ? 32.808 16.044 10.086 1.00 14.54 0 B 2 +ATOM 2193 C CE1 . HIS B 1 71 ? 33.723 16.402 9.205 1.00 13.26 0 B 2 +ATOM 2194 N NE2 . HIS B 1 71 ? 33.221 17.401 8.486 1.00 17.57 0 B 2 +ATOM 2195 N N . LEU B 1 72 ? 30.680 19.427 12.171 1.00 19.01 0 B 2 +ATOM 2196 C CA . LEU B 1 72 ? 31.194 20.796 12.229 1.00 19.67 0 B 2 +ATOM 2197 C C . LEU B 1 72 ? 31.686 21.097 13.639 1.00 19.24 0 B 2 +ATOM 2198 O O . LEU B 1 72 ? 32.732 21.716 13.823 1.00 16.98 0 B 2 +ATOM 2199 C CB . LEU B 1 72 ? 30.077 21.780 11.851 1.00 14.89 0 B 2 +ATOM 2200 C CG . LEU B 1 72 ? 30.015 22.416 10.456 1.00 18.28 0 B 2 +ATOM 2201 C CD1 . LEU B 1 72 ? 30.823 21.655 9.425 1.00 15.36 0 B 2 +ATOM 2202 C CD2 . LEU B 1 72 ? 28.550 22.553 10.038 1.00 3.85 0 B 2 +ATOM 2203 N N . GLY B 1 73 ? 30.945 20.626 14.634 1.00 23.32 0 B 2 +ATOM 2204 C CA . GLY B 1 73 ? 31.320 20.864 16.014 1.00 19.52 0 B 2 +ATOM 2205 C C . GLY B 1 73 ? 32.613 20.174 16.389 1.00 19.66 0 B 2 +ATOM 2206 O O . GLY B 1 73 ? 33.426 20.697 17.158 1.00 18.15 0 B 2 +ATOM 2207 N N . ARG B 1 74 ? 32.818 19.001 15.818 1.00 22.42 0 B 2 +ATOM 2208 C CA . ARG B 1 74 ? 34.011 18.224 16.086 1.00 24.70 0 B 2 +ATOM 2209 C C . ARG B 1 74 ? 35.227 18.874 15.420 1.00 24.77 0 B 2 +ATOM 2210 O O . ARG B 1 74 ? 36.221 19.174 16.074 1.00 28.09 0 B 2 +ATOM 2211 C CB . ARG B 1 74 ? 33.789 16.804 15.558 1.00 25.52 0 B 2 +ATOM 2212 C CG . ARG B 1 74 ? 34.702 15.739 16.126 1.00 24.37 0 B 2 +ATOM 2213 C CD . ARG B 1 74 ? 33.933 14.436 16.229 1.00 24.88 0 B 2 +ATOM 2214 N NE . ARG B 1 74 ? 33.117 14.249 15.038 1.00 20.78 0 B 2 +ATOM 2215 C CZ . ARG B 1 74 ? 31.902 13.716 15.019 1.00 16.49 0 B 2 +ATOM 2216 N NH1 . ARG B 1 74 ? 31.314 13.289 16.127 1.00 4.74 0 B 2 +ATOM 2217 N NH2 . ARG B 1 74 ? 31.251 13.653 13.869 1.00 20.10 0 B 2 +ATOM 2218 N N . THR B 1 75 ? 35.096 19.184 14.135 1.00 23.47 0 B 2 +ATOM 2219 C CA . THR B 1 75 ? 36.189 19.774 13.386 1.00 20.60 0 B 2 +ATOM 2220 C C . THR B 1 75 ? 36.477 21.239 13.685 1.00 20.17 0 B 2 +ATOM 2221 O O . THR B 1 75 ? 37.572 21.714 13.397 1.00 23.34 0 B 2 +ATOM 2222 C CB . THR B 1 75 ? 35.945 19.616 11.888 1.00 21.35 0 B 2 +ATOM 2223 C CG2 . THR B 1 75 ? 35.970 18.158 11.516 1.00 12.30 0 B 2 +ATOM 2224 O OG1 . THR B 1 75 ? 34.668 20.166 11.547 1.00 20.74 0 B 2 +ATOM 2225 N N . LEU B 1 76 ? 35.481 21.969 14.186 1.00 20.46 0 B 2 +ATOM 2226 C CA . LEU B 1 76 ? 35.657 23.387 14.500 1.00 15.23 0 B 2 +ATOM 2227 C C . LEU B 1 76 ? 35.861 23.673 15.979 1.00 14.91 0 B 2 +ATOM 2228 O O . LEU B 1 76 ? 36.071 24.826 16.371 1.00 19.71 0 B 2 +ATOM 2229 C CB . LEU B 1 76 ? 34.478 24.220 13.982 1.00 14.56 0 B 2 +ATOM 2230 C CG . LEU B 1 76 ? 34.482 24.760 12.551 1.00 13.06 0 B 2 +ATOM 2231 C CD1 . LEU B 1 76 ? 35.779 24.425 11.833 1.00 15.21 0 B 2 +ATOM 2232 C CD2 . LEU B 1 76 ? 33.317 24.190 11.805 1.00 15.67 0 B 2 +ATOM 2233 N N . GLY B 1 77 ? 35.780 22.641 16.801 1.00 18.34 0 B 2 +ATOM 2234 C CA . GLY B 1 77 ? 35.971 22.829 18.226 1.00 19.68 0 B 2 +ATOM 2235 C C . GLY B 1 77 ? 34.775 23.417 18.954 1.00 22.38 0 B 2 +ATOM 2236 O O . GLY B 1 77 ? 34.945 24.232 19.862 1.00 20.58 0 B 2 +ATOM 2237 N N . LEU B 1 78 ? 33.576 23.001 18.561 1.00 14.63 0 B 2 +ATOM 2238 C CA . LEU B 1 78 ? 32.355 23.464 19.199 1.00 16.75 0 B 2 +ATOM 2239 C C . LEU B 1 78 ? 31.673 22.233 19.822 1.00 17.07 0 B 2 +ATOM 2240 O O . LEU B 1 78 ? 30.448 22.104 19.739 1.00 12.61 0 B 2 +ATOM 2241 C CB . LEU B 1 78 ? 31.435 24.108 18.148 1.00 15.81 0 B 2 +ATOM 2242 C CG . LEU B 1 78 ? 32.167 24.963 17.116 1.00 15.15 0 B 2 +ATOM 2243 C CD1 . LEU B 1 78 ? 31.182 25.423 16.078 1.00 16.96 0 B 2 +ATOM 2244 C CD2 . LEU B 1 78 ? 32.870 26.152 17.762 1.00 7.14 0 B 2 +ATOM 2245 N N . TYR B 1 79 ? 32.450 21.347 20.459 1.00 19.46 0 B 2 +ATOM 2246 C CA . TYR B 1 79 ? 31.906 20.108 21.055 1.00 19.01 0 B 2 +ATOM 2247 C C . TYR B 1 79 ? 32.310 19.913 22.547 1.00 21.35 0 B 2 +ATOM 2248 O O . TYR B 1 79 ? 32.474 18.780 23.004 1.00 22.00 0 B 2 +ATOM 2249 C CB . TYR B 1 79 ? 32.374 18.882 20.232 1.00 18.89 0 B 2 +ATOM 2250 C CG . TYR B 1 79 ? 31.377 17.719 20.052 1.00 10.76 0 B 2 +ATOM 2251 C CD1 . TYR B 1 79 ? 30.567 17.268 21.102 1.00 9.22 0 B 2 +ATOM 2252 C CD2 . TYR B 1 79 ? 31.244 17.072 18.804 1.00 7.06 0 B 2 +ATOM 2253 C CE1 . TYR B 1 79 ? 29.645 16.208 20.915 1.00 11.72 0 B 2 +ATOM 2254 C CE2 . TYR B 1 79 ? 30.324 16.011 18.609 1.00 7.18 0 B 2 +ATOM 2255 C CZ . TYR B 1 79 ? 29.529 15.591 19.684 1.00 13.15 0 B 2 +ATOM 2256 O OH . TYR B 1 79 ? 28.579 14.594 19.561 1.00 15.08 0 B 2 +ATOM 2257 N N . GLY B 1 80 ? 32.454 20.995 23.311 1.00 19.80 0 B 2 +ATOM 2258 C CA . GLY B 1 80 ? 32.829 20.848 24.713 1.00 12.19 0 B 2 +ATOM 2259 C C . GLY B 1 80 ? 34.326 20.773 24.925 1.00 15.73 0 B 2 +ATOM 2260 O O . GLY B 1 80 ? 35.083 20.533 23.974 1.00 15.99 0 B 2 +ATOM 2261 N N . LYS B 1 81 ? 34.773 20.972 26.159 1.00 14.72 0 B 2 +ATOM 2262 C CA . LYS B 1 81 ? 36.201 20.967 26.436 1.00 22.97 0 B 2 +ATOM 2263 C C . LYS B 1 81 ? 36.724 19.584 26.769 1.00 19.89 0 B 2 +ATOM 2264 O O . LYS B 1 81 ? 37.926 19.344 26.766 1.00 19.25 0 B 2 +ATOM 2265 C CB . LYS B 1 81 ? 36.545 21.970 27.551 1.00 30.55 0 B 2 +ATOM 2266 C CG . LYS B 1 81 ? 36.163 21.542 28.960 1.00 31.93 0 B 2 +ATOM 2267 C CD . LYS B 1 81 ? 36.588 22.591 29.978 1.00 37.60 0 B 2 +ATOM 2268 C CE . LYS B 1 81 ? 36.456 22.067 31.401 1.00 40.93 0 B 2 +ATOM 2269 N NZ . LYS B 1 81 ? 35.038 21.786 31.779 1.00 51.28 0 B 2 +ATOM 2270 N N . ASP B 1 82 ? 35.810 18.671 27.059 1.00 21.42 0 B 2 +ATOM 2271 C CA . ASP B 1 82 ? 36.203 17.312 27.379 1.00 25.99 0 B 2 +ATOM 2272 C C . ASP B 1 82 ? 35.063 16.354 27.114 1.00 21.69 0 B 2 +ATOM 2273 O O . ASP B 1 82 ? 33.965 16.775 26.737 1.00 16.34 0 B 2 +ATOM 2274 C CB . ASP B 1 82 ? 36.710 17.186 28.831 1.00 25.13 0 B 2 +ATOM 2275 C CG . ASP B 1 82 ? 35.700 17.666 29.860 1.00 23.40 0 B 2 +ATOM 2276 O OD1 . ASP B 1 82 ? 34.506 17.336 29.763 1.00 24.50 0 B 2 +ATOM 2277 O OD2 . ASP B 1 82 ? 36.118 18.361 30.804 1.00 28.21 0 B 2 +ATOM 2278 N N . GLN B 1 83 ? 35.300 15.080 27.399 1.00 18.02 0 B 2 +ATOM 2279 C CA . GLN B 1 83 ? 34.306 14.049 27.159 1.00 20.57 0 B 2 +ATOM 2280 C C . GLN B 1 83 ? 33.031 14.294 27.935 1.00 22.09 0 B 2 +ATOM 2281 O O . GLN B 1 83 ? 31.936 14.045 27.432 1.00 17.96 0 B 2 +ATOM 2282 C CB . GLN B 1 83 ? 34.876 12.671 27.476 1.00 23.75 0 B 2 +ATOM 2283 C CG . GLN B 1 83 ? 35.956 12.261 26.485 1.00 32.41 0 B 2 +ATOM 2284 C CD . GLN B 1 83 ? 36.462 10.862 26.708 1.00 33.11 0 B 2 +ATOM 2285 N NE2 . GLN B 1 83 ? 36.567 10.466 27.967 1.00 31.37 0 B 2 +ATOM 2286 O OE1 . GLN B 1 83 ? 36.762 10.141 25.762 1.00 31.05 0 B 2 +ATOM 2287 N N . GLN B 1 84 ? 33.173 14.807 29.145 1.00 22.56 0 B 2 +ATOM 2288 C CA . GLN B 1 84 ? 32.025 15.100 29.984 1.00 24.05 0 B 2 +ATOM 2289 C C . GLN B 1 84 ? 31.125 16.139 29.303 1.00 23.71 0 B 2 +ATOM 2290 O O . GLN B 1 84 ? 29.949 15.873 29.039 1.00 23.56 0 B 2 +ATOM 2291 C CB . GLN B 1 84 ? 32.503 15.593 31.345 1.00 28.26 0 B 2 +ATOM 2292 C CG . GLN B 1 84 ? 31.401 15.954 32.301 1.00 37.55 0 B 2 +ATOM 2293 C CD . GLN B 1 84 ? 31.911 16.105 33.712 1.00 43.75 0 B 2 +ATOM 2294 N NE2 . GLN B 1 84 ? 31.823 17.312 34.245 1.00 50.73 0 B 2 +ATOM 2295 O OE1 . GLN B 1 84 ? 32.379 15.144 34.320 1.00 44.98 0 B 2 +ATOM 2296 N N . GLU B 1 85 ? 31.701 17.288 28.953 1.00 16.23 0 B 2 +ATOM 2297 C CA . GLU B 1 85 ? 30.949 18.349 28.296 1.00 17.26 0 B 2 +ATOM 2298 C C . GLU B 1 85 ? 30.374 17.836 26.981 1.00 17.00 0 B 2 +ATOM 2299 O O . GLU B 1 85 ? 29.227 18.139 26.653 1.00 18.48 0 B 2 +ATOM 2300 C CB . GLU B 1 85 ? 31.812 19.590 28.042 1.00 15.96 0 B 2 +ATOM 2301 C CG . GLU B 1 85 ? 32.265 20.281 29.312 1.00 18.26 0 B 2 +ATOM 2302 C CD . GLU B 1 85 ? 32.670 21.726 29.097 1.00 19.69 0 B 2 +ATOM 2303 O OE1 . GLU B 1 85 ? 32.903 22.133 27.935 1.00 14.25 0 B 2 +ATOM 2304 O OE2 . GLU B 1 85 ? 32.762 22.460 30.113 1.00 21.88 0 B 2 +ATOM 2305 N N . ALA B 1 86 ? 31.145 17.012 26.277 1.00 10.35 0 B 2 +ATOM 2306 C CA . ALA B 1 86 ? 30.705 16.432 25.009 1.00 12.38 0 B 2 +ATOM 2307 C C . ALA B 1 86 ? 29.387 15.676 25.202 1.00 15.80 0 B 2 +ATOM 2308 O O . ALA B 1 86 ? 28.463 15.798 24.386 1.00 19.57 0 B 2 +ATOM 2309 C CB . ALA B 1 86 ? 31.767 15.499 24.459 1.00 8.65 0 B 2 +ATOM 2310 N N . ALA B 1 87 ? 29.283 14.925 26.292 1.00 10.48 0 B 2 +ATOM 2311 C CA . ALA B 1 87 ? 28.069 14.169 26.569 1.00 11.28 0 B 2 +ATOM 2312 C C . ALA B 1 87 ? 26.920 15.139 26.850 1.00 10.81 0 B 2 +ATOM 2313 O O . ALA B 1 87 ? 25.790 14.956 26.390 1.00 8.81 0 B 2 +ATOM 2314 C CB . ALA B 1 87 ? 28.284 13.235 27.760 1.00 8.50 0 B 2 +ATOM 2315 N N . LEU B 1 88 ? 27.218 16.180 27.613 1.00 15.07 0 B 2 +ATOM 2316 C CA . LEU B 1 88 ? 26.211 17.172 27.965 1.00 15.81 0 B 2 +ATOM 2317 C C . LEU B 1 88 ? 25.728 17.886 26.710 1.00 14.54 0 B 2 +ATOM 2318 O O . LEU B 1 88 ? 24.537 18.136 26.560 1.00 21.48 0 B 2 +ATOM 2319 C CB . LEU B 1 88 ? 26.780 18.152 29.002 1.00 12.21 0 B 2 +ATOM 2320 C CG . LEU B 1 88 ? 27.138 17.406 30.304 1.00 16.17 0 B 2 +ATOM 2321 C CD1 . LEU B 1 88 ? 27.960 18.257 31.248 1.00 11.56 0 B 2 +ATOM 2322 C CD2 . LEU B 1 88 ? 25.874 16.905 30.987 1.00 4.00 0 B 2 +ATOM 2323 N N . VAL B 1 89 ? 26.635 18.119 25.772 1.00 14.12 0 B 2 +ATOM 2324 C CA . VAL B 1 89 ? 26.290 18.774 24.520 1.00 10.84 0 B 2 +ATOM 2325 C C . VAL B 1 89 ? 25.311 17.899 23.733 1.00 12.72 0 B 2 +ATOM 2326 O O . VAL B 1 89 ? 24.318 18.391 23.175 1.00 12.31 0 B 2 +ATOM 2327 C CB . VAL B 1 89 ? 27.562 19.049 23.671 1.00 13.04 0 B 2 +ATOM 2328 C CG1 . VAL B 1 89 ? 27.184 19.540 22.268 1.00 14.12 0 B 2 +ATOM 2329 C CG2 . VAL B 1 89 ? 28.419 20.108 24.350 1.00 9.48 0 B 2 +ATOM 2330 N N . ASP B 1 90 ? 25.580 16.596 23.712 1.00 13.04 0 B 2 +ATOM 2331 C CA . ASP B 1 90 ? 24.740 15.647 22.992 1.00 12.60 0 B 2 +ATOM 2332 C C . ASP B 1 90 ? 23.372 15.656 23.623 1.00 14.82 0 B 2 +ATOM 2333 O O . ASP B 1 90 ? 22.361 15.743 22.929 1.00 16.20 0 B 2 +ATOM 2334 C CB . ASP B 1 90 ? 25.308 14.218 23.085 1.00 14.73 0 B 2 +ATOM 2335 C CG . ASP B 1 90 ? 26.435 13.960 22.106 1.00 8.94 0 B 2 +ATOM 2336 O OD1 . ASP B 1 90 ? 26.458 14.617 21.050 1.00 11.82 0 B 2 +ATOM 2337 O OD2 . ASP B 1 90 ? 27.278 13.084 22.390 1.00 10.48 0 B 2 +ATOM 2338 N N . MET B 1 91 ? 23.351 15.584 24.951 1.00 15.38 0 B 2 +ATOM 2339 C CA . MET B 1 91 ? 22.116 15.554 25.718 1.00 9.69 0 B 2 +ATOM 2340 C C . MET B 1 91 ? 21.221 16.724 25.365 1.00 6.22 0 B 2 +ATOM 2341 O O . MET B 1 91 ? 20.010 16.558 25.201 1.00 9.91 0 B 2 +ATOM 2342 C CB . MET B 1 91 ? 22.442 15.538 27.201 1.00 7.41 0 B 2 +ATOM 2343 C CG . MET B 1 91 ? 21.266 15.243 28.102 1.00 14.08 0 B 2 +ATOM 2344 S SD . MET B 1 91 ? 21.895 15.024 29.750 1.00 21.25 0 B 2 +ATOM 2345 C CE . MET B 1 91 ? 22.153 16.687 30.211 1.00 26.47 0 B 2 +ATOM 2346 N N . VAL B 1 92 ? 21.811 17.909 25.239 1.00 9.36 0 B 2 +ATOM 2347 C CA . VAL B 1 92 ? 21.050 19.103 24.873 1.00 8.98 0 B 2 +ATOM 2348 C C . VAL B 1 92 ? 20.565 18.963 23.430 1.00 9.84 0 B 2 +ATOM 2349 O O . VAL B 1 92 ? 19.387 19.144 23.142 1.00 9.20 0 B 2 +ATOM 2350 C CB . VAL B 1 92 ? 21.905 20.384 24.943 1.00 9.32 0 B 2 +ATOM 2351 C CG1 . VAL B 1 92 ? 21.174 21.535 24.306 1.00 11.47 0 B 2 +ATOM 2352 C CG2 . VAL B 1 92 ? 22.233 20.713 26.374 1.00 5.81 0 B 2 +ATOM 2353 N N . ASN B 1 93 ? 21.472 18.608 22.530 1.00 11.65 0 B 2 +ATOM 2354 C CA . ASN B 1 93 ? 21.093 18.482 21.137 1.00 10.26 0 B 2 +ATOM 2355 C C . ASN B 1 93 ? 19.982 17.476 20.928 1.00 14.69 0 B 2 +ATOM 2356 O O . ASN B 1 93 ? 19.046 17.736 20.150 1.00 16.87 0 B 2 +ATOM 2357 C CB . ASN B 1 93 ? 22.282 18.132 20.252 1.00 11.24 0 B 2 +ATOM 2358 C CG . ASN B 1 93 ? 22.004 18.430 18.807 1.00 13.05 0 B 2 +ATOM 2359 N ND2 . ASN B 1 93 ? 21.935 19.719 18.482 1.00 9.83 0 B 2 +ATOM 2360 O OD1 . ASN B 1 93 ? 21.776 17.530 17.995 1.00 14.43 0 B 2 +ATOM 2361 N N . ASP B 1 94 ? 20.056 16.341 21.631 1.00 12.39 0 B 2 +ATOM 2362 C CA . ASP B 1 94 ? 19.028 15.295 21.517 1.00 9.81 0 B 2 +ATOM 2363 C C . ASP B 1 94 ? 17.675 15.837 21.956 1.00 10.61 0 B 2 +ATOM 2364 O O . ASP B 1 94 ? 16.646 15.524 21.352 1.00 8.62 0 B 2 +ATOM 2365 C CB . ASP B 1 94 ? 19.389 14.063 22.354 1.00 12.52 0 B 2 +ATOM 2366 C CG . ASP B 1 94 ? 20.554 13.285 21.800 1.00 16.62 0 B 2 +ATOM 2367 O OD1 . ASP B 1 94 ? 21.118 13.686 20.749 1.00 18.12 0 B 2 +ATOM 2368 O OD2 . ASP B 1 94 ? 20.921 12.277 22.422 1.00 23.08 0 B 2 +ATOM 2369 N N . GLY B 1 95 ? 17.680 16.647 23.009 1.00 7.99 0 B 2 +ATOM 2370 C CA . GLY B 1 95 ? 16.439 17.229 23.489 1.00 13.24 0 B 2 +ATOM 2371 C C . GLY B 1 95 ? 15.887 18.192 22.447 1.00 13.84 0 B 2 +ATOM 2372 O O . GLY B 1 95 ? 14.680 18.229 22.209 1.00 9.20 0 B 2 +ATOM 2373 N N . VAL B 1 96 ? 16.774 18.960 21.823 1.00 12.03 0 B 2 +ATOM 2374 C CA . VAL B 1 96 ? 16.376 19.905 20.791 1.00 13.90 0 B 2 +ATOM 2375 C C . VAL B 1 96 ? 15.741 19.109 19.663 1.00 13.45 0 B 2 +ATOM 2376 O O . VAL B 1 96 ? 14.640 19.438 19.206 1.00 19.59 0 B 2 +ATOM 2377 C CB . VAL B 1 96 ? 17.589 20.715 20.255 1.00 17.15 0 B 2 +ATOM 2378 C CG1 . VAL B 1 96 ? 17.169 21.616 19.098 1.00 15.07 0 B 2 +ATOM 2379 C CG2 . VAL B 1 96 ? 18.179 21.575 21.368 1.00 14.81 0 B 2 +ATOM 2380 N N . GLU B 1 97 ? 16.390 18.005 19.286 1.00 14.37 0 B 2 +ATOM 2381 C CA . GLU B 1 97 ? 15.902 17.148 18.199 1.00 16.17 0 B 2 +ATOM 2382 C C . GLU B 1 97 ? 14.502 16.614 18.507 1.00 12.68 0 B 2 +ATOM 2383 O O . GLU B 1 97 ? 13.605 16.672 17.664 1.00 19.00 0 B 2 +ATOM 2384 C CB . GLU B 1 97 ? 16.879 15.991 17.947 1.00 11.80 0 B 2 +ATOM 2385 C CG . GLU B 1 97 ? 16.406 14.963 16.908 1.00 13.83 0 B 2 +ATOM 2386 C CD . GLU B 1 97 ? 16.082 15.550 15.531 1.00 17.77 0 B 2 +ATOM 2387 O OE1 . GLU B 1 97 ? 16.470 16.701 15.233 1.00 15.40 0 B 2 +ATOM 2388 O OE2 . GLU B 1 97 ? 15.425 14.835 14.743 1.00 15.58 0 B 2 +ATOM 2389 N N . ASP B 1 98 ? 14.297 16.161 19.737 1.00 12.38 0 B 2 +ATOM 2390 C CA . ASP B 1 98 ? 13.003 15.647 20.135 1.00 13.84 0 B 2 +ATOM 2391 C C . ASP B 1 98 ? 11.925 16.706 19.941 1.00 13.89 0 B 2 +ATOM 2392 O O . ASP B 1 98 ? 10.830 16.415 19.442 1.00 10.86 0 B 2 +ATOM 2393 C CB . ASP B 1 98 ? 13.024 15.253 21.606 1.00 16.79 0 B 2 +ATOM 2394 C CG . ASP B 1 98 ? 13.632 13.889 21.849 1.00 15.21 0 B 2 +ATOM 2395 O OD1 . ASP B 1 98 ? 14.038 13.211 20.884 1.00 16.02 0 B 2 +ATOM 2396 O OD2 . ASP B 1 98 ? 13.696 13.506 23.030 1.00 23.06 0 B 2 +ATOM 2397 N N . LEU B 1 99 ? 12.208 17.918 20.403 1.00 14.52 0 B 2 +ATOM 2398 C CA . LEU B 1 99 ? 11.238 18.992 20.287 1.00 15.45 0 B 2 +ATOM 2399 C C . LEU B 1 99 ? 11.063 19.434 18.836 1.00 13.07 0 B 2 +ATOM 2400 O O . LEU B 1 99 ? 9.963 19.791 18.424 1.00 12.12 0 B 2 +ATOM 2401 C CB . LEU B 1 99 ? 11.611 20.166 21.204 1.00 13.16 0 B 2 +ATOM 2402 C CG . LEU B 1 99 ? 10.526 21.259 21.317 1.00 18.42 0 B 2 +ATOM 2403 C CD1 . LEU B 1 99 ? 9.139 20.651 21.558 1.00 15.59 0 B 2 +ATOM 2404 C CD2 . LEU B 1 99 ? 10.896 22.217 22.431 1.00 14.72 0 B 2 +ATOM 2405 N N . ARG B 1 100 ? 12.135 19.374 18.055 1.00 11.33 0 B 2 +ATOM 2406 C CA . ARG B 1 100 ? 12.040 19.765 16.652 1.00 14.66 0 B 2 +ATOM 2407 C C . ARG B 1 100 ? 11.149 18.796 15.877 1.00 14.20 0 B 2 +ATOM 2408 O O . ARG B 1 100 ? 10.434 19.200 14.960 1.00 18.91 0 B 2 +ATOM 2409 C CB . ARG B 1 100 ? 13.421 19.834 16.001 1.00 12.71 0 B 2 +ATOM 2410 C CG . ARG B 1 100 ? 13.366 20.363 14.577 1.00 7.31 0 B 2 +ATOM 2411 C CD . ARG B 1 100 ? 14.726 20.391 13.913 1.00 6.50 0 B 2 +ATOM 2412 N NE . ARG B 1 100 ? 15.672 21.276 14.589 1.00 11.92 0 B 2 +ATOM 2413 C CZ . ARG B 1 100 ? 15.663 22.599 14.496 1.00 13.14 0 B 2 +ATOM 2414 N NH1 . ARG B 1 100 ? 14.746 23.208 13.751 1.00 15.16 0 B 2 +ATOM 2415 N NH2 . ARG B 1 100 ? 16.574 23.320 15.135 1.00 11.67 0 B 2 +ATOM 2416 N N . CYS B 1 101 ? 11.193 17.519 16.241 1.00 7.87 0 B 2 +ATOM 2417 C CA . CYS B 1 101 ? 10.370 16.511 15.585 1.00 13.00 0 B 2 +ATOM 2418 C C . CYS B 1 101 ? 8.898 16.767 15.847 1.00 13.01 0 B 2 +ATOM 2419 O O . CYS B 1 101 ? 8.070 16.606 14.945 1.00 14.91 0 B 2 +ATOM 2420 C CB . CYS B 1 101 ? 10.723 15.101 16.058 1.00 14.48 0 B 2 +ATOM 2421 S SG . CYS B 1 101 ? 12.356 14.546 15.547 1.00 22.37 0 B 2 +ATOM 2422 N N . LYS B 1 102 ? 8.572 17.152 17.080 1.00 11.28 0 B 2 +ATOM 2423 C CA . LYS B 1 102 ? 7.185 17.456 17.436 1.00 10.20 0 B 2 +ATOM 2424 C C . LYS B 1 102 ? 6.746 18.710 16.674 1.00 12.22 0 B 2 +ATOM 2425 O O . LYS B 1 102 ? 5.640 18.763 16.133 1.00 20.46 0 B 2 +ATOM 2426 C CB . LYS B 1 102 ? 7.064 17.698 18.936 1.00 15.62 0 B 2 +ATOM 2427 C CG . LYS B 1 102 ? 7.374 16.485 19.782 1.00 22.65 0 B 2 +ATOM 2428 C CD . LYS B 1 102 ? 7.319 16.849 21.258 1.00 26.22 0 B 2 +ATOM 2429 C CE . LYS B 1 102 ? 7.335 15.604 22.128 1.00 31.09 0 B 2 +ATOM 2430 N NZ . LYS B 1 102 ? 7.447 15.928 23.580 1.00 37.97 0 B 2 +ATOM 2431 N N . TYR B 1 103 ? 7.631 19.700 16.608 1.00 16.57 0 B 2 +ATOM 2432 C CA . TYR B 1 103 ? 7.368 20.949 15.898 1.00 14.18 0 B 2 +ATOM 2433 C C . TYR B 1 103 ? 7.108 20.614 14.430 1.00 17.86 0 B 2 +ATOM 2434 O O . TYR B 1 103 ? 6.087 20.999 13.870 1.00 23.77 0 B 2 +ATOM 2435 C CB . TYR B 1 103 ? 8.595 21.854 16.008 1.00 19.00 0 B 2 +ATOM 2436 C CG . TYR B 1 103 ? 8.584 23.089 15.118 1.00 22.64 0 B 2 +ATOM 2437 C CD1 . TYR B 1 103 ? 7.957 24.266 15.528 1.00 16.72 0 B 2 +ATOM 2438 C CD2 . TYR B 1 103 ? 9.210 23.076 13.861 1.00 15.31 0 B 2 +ATOM 2439 C CE1 . TYR B 1 103 ? 7.946 25.402 14.708 1.00 16.96 0 B 2 +ATOM 2440 C CE2 . TYR B 1 103 ? 9.196 24.210 13.038 1.00 16.72 0 B 2 +ATOM 2441 C CZ . TYR B 1 103 ? 8.560 25.362 13.469 1.00 15.87 0 B 2 +ATOM 2442 O OH . TYR B 1 103 ? 8.501 26.460 12.652 1.00 16.12 0 B 2 +ATOM 2443 N N . ILE B 1 104 ? 8.021 19.865 13.826 1.00 16.36 0 B 2 +ATOM 2444 C CA . ILE B 1 104 ? 7.892 19.488 12.440 1.00 11.43 0 B 2 +ATOM 2445 C C . ILE B 1 104 ? 6.565 18.771 12.227 1.00 16.27 0 B 2 +ATOM 2446 O O . ILE B 1 104 ? 5.788 19.116 11.335 1.00 21.02 0 B 2 +ATOM 2447 C CB . ILE B 1 104 ? 9.075 18.617 12.030 1.00 15.23 0 B 2 +ATOM 2448 C CG1 . ILE B 1 104 ? 10.334 19.480 11.940 1.00 13.26 0 B 2 +ATOM 2449 C CG2 . ILE B 1 104 ? 8.790 17.919 10.699 1.00 16.32 0 B 2 +ATOM 2450 C CD1 . ILE B 1 104 ? 11.625 18.693 11.741 1.00 5.97 0 B 2 +ATOM 2451 N N . SER B 1 105 ? 6.269 17.831 13.110 1.00 19.94 0 B 2 +ATOM 2452 C CA . SER B 1 105 ? 5.027 17.075 13.018 1.00 22.11 0 B 2 +ATOM 2453 C C . SER B 1 105 ? 3.825 18.020 13.001 1.00 20.95 0 B 2 +ATOM 2454 O O . SER B 1 105 ? 2.921 17.855 12.192 1.00 12.98 0 B 2 +ATOM 2455 C CB . SER B 1 105 ? 4.917 16.116 14.198 1.00 22.80 0 B 2 +ATOM 2456 O OG . SER B 1 105 ? 3.831 15.243 14.033 1.00 28.87 0 B 2 +ATOM 2457 N N . LEU B 1 106 ? 3.812 19.005 13.892 1.00 19.90 0 B 2 +ATOM 2458 C CA . LEU B 1 106 ? 2.699 19.950 13.929 1.00 21.12 0 B 2 +ATOM 2459 C C . LEU B 1 106 ? 2.588 20.669 12.595 1.00 19.03 0 B 2 +ATOM 2460 O O . LEU B 1 106 ? 1.585 20.568 11.896 1.00 22.25 0 B 2 +ATOM 2461 C CB . LEU B 1 106 ? 2.908 20.983 15.031 1.00 20.42 0 B 2 +ATOM 2462 C CG . LEU B 1 106 ? 1.895 22.141 15.093 1.00 21.59 0 B 2 +ATOM 2463 C CD1 . LEU B 1 106 ? 0.530 21.634 15.549 1.00 15.85 0 B 2 +ATOM 2464 C CD2 . LEU B 1 106 ? 2.418 23.214 16.045 1.00 18.89 0 B 2 +ATOM 2465 N N . ILE B 1 107 ? 3.668 21.337 12.223 1.00 19.23 0 B 2 +ATOM 2466 C CA . ILE B 1 107 ? 3.738 22.111 11.000 1.00 19.98 0 B 2 +ATOM 2467 C C . ILE B 1 107 ? 3.248 21.399 9.759 1.00 18.68 0 B 2 +ATOM 2468 O O . ILE B 1 107 ? 2.576 22.005 8.924 1.00 21.89 0 B 2 +ATOM 2469 C CB . ILE B 1 107 ? 5.181 22.588 10.744 1.00 22.31 0 B 2 +ATOM 2470 C CG1 . ILE B 1 107 ? 5.652 23.469 11.904 1.00 16.47 0 B 2 +ATOM 2471 C CG2 . ILE B 1 107 ? 5.285 23.337 9.407 1.00 22.52 0 B 2 +ATOM 2472 C CD1 . ILE B 1 107 ? 4.816 24.695 12.112 1.00 13.73 0 B 2 +ATOM 2473 N N . TYR B 1 108 ? 3.574 20.115 9.636 1.00 17.22 0 B 2 +ATOM 2474 C CA . TYR B 1 108 ? 3.203 19.333 8.453 1.00 20.06 0 B 2 +ATOM 2475 C C . TYR B 1 108 ? 2.051 18.301 8.636 1.00 21.94 0 B 2 +ATOM 2476 O O . TYR B 1 108 ? 1.342 17.983 7.684 1.00 28.10 0 B 2 +ATOM 2477 C CB . TYR B 1 108 ? 4.482 18.642 7.891 1.00 20.75 0 B 2 +ATOM 2478 C CG . TYR B 1 108 ? 5.598 19.596 7.379 1.00 20.47 0 B 2 +ATOM 2479 C CD1 . TYR B 1 108 ? 5.520 20.182 6.111 1.00 19.86 0 B 2 +ATOM 2480 C CD2 . TYR B 1 108 ? 6.699 19.921 8.170 1.00 22.86 0 B 2 +ATOM 2481 C CE1 . TYR B 1 108 ? 6.480 21.056 5.646 1.00 14.96 0 B 2 +ATOM 2482 C CE2 . TYR B 1 108 ? 7.674 20.802 7.714 1.00 24.86 0 B 2 +ATOM 2483 C CZ . TYR B 1 108 ? 7.544 21.351 6.433 1.00 22.75 0 B 2 +ATOM 2484 O OH . TYR B 1 108 ? 8.504 22.145 5.872 1.00 26.87 0 B 2 +ATOM 2485 N N . THR B 1 109 ? 1.794 17.868 9.865 1.00 27.30 0 B 2 +ATOM 2486 C CA . THR B 1 109 ? 0.761 16.858 10.110 1.00 30.81 0 B 2 +ATOM 2487 C C . THR B 1 109 ? -0.598 17.374 10.539 1.00 30.77 0 B 2 +ATOM 2488 O O . THR B 1 109 ? -1.628 16.905 10.056 1.00 30.62 0 B 2 +ATOM 2489 C CB . THR B 1 109 ? 1.283 15.787 11.086 1.00 29.42 0 B 2 +ATOM 2490 C CG2 . THR B 1 109 ? 0.167 14.894 11.619 1.00 36.15 0 B 2 +ATOM 2491 O OG1 . THR B 1 109 ? 2.247 14.982 10.397 1.00 35.24 0 B 2 +ATOM 2492 N N . ASN B 1 110 ? -0.608 18.335 11.449 1.00 28.95 0 B 2 +ATOM 2493 C CA . ASN B 1 110 ? -1.872 18.890 11.890 1.00 33.26 0 B 2 +ATOM 2494 C C . ASN B 1 110 ? -1.713 20.226 12.575 1.00 32.66 0 B 2 +ATOM 2495 O O . ASN B 1 110 ? -1.934 20.365 13.778 1.00 30.82 0 B 2 +ATOM 2496 C CB . ASN B 1 110 ? -2.663 17.897 12.754 1.00 38.70 0 B 2 +ATOM 2497 C CG . ASN B 1 110 ? -1.934 17.501 14.021 1.00 40.80 0 B 2 +ATOM 2498 N ND2 . ASN B 1 110 ? -0.621 17.319 13.942 1.00 41.82 0 B 2 +ATOM 2499 O OD1 . ASN B 1 110 ? -2.557 17.350 15.066 1.00 39.91 0 B 2 +ATOM 2500 N N . TYR B 1 111 ? -1.362 21.225 11.772 1.00 32.60 0 B 2 +ATOM 2501 C CA . TYR B 1 111 ? -1.164 22.580 12.257 1.00 31.75 0 B 2 +ATOM 2502 C C . TYR B 1 111 ? -2.432 23.184 12.877 1.00 31.60 0 B 2 +ATOM 2503 O O . TYR B 1 111 ? -2.421 23.628 14.020 1.00 33.61 0 B 2 +ATOM 2504 C CB . TYR B 1 111 ? -0.673 23.471 11.122 1.00 24.96 0 B 2 +ATOM 2505 C CG . TYR B 1 111 ? -0.277 24.846 11.593 1.00 27.87 0 B 2 +ATOM 2506 C CD1 . TYR B 1 111 ? -1.238 25.837 11.810 1.00 29.51 0 B 2 +ATOM 2507 C CD2 . TYR B 1 111 ? 1.050 25.150 11.870 1.00 25.98 0 B 2 +ATOM 2508 C CE1 . TYR B 1 111 ? -0.886 27.092 12.293 1.00 30.27 0 B 2 +ATOM 2509 C CE2 . TYR B 1 111 ? 1.415 26.399 12.351 1.00 23.37 0 B 2 +ATOM 2510 C CZ . TYR B 1 111 ? 0.439 27.364 12.563 1.00 30.66 0 B 2 +ATOM 2511 O OH . TYR B 1 111 ? 0.781 28.601 13.049 1.00 31.25 0 B 2 +ATOM 2512 N N . GLU B 1 112 ? -3.531 23.174 12.129 1.00 37.95 0 B 2 +ATOM 2513 C CA . GLU B 1 112 ? -4.787 23.763 12.590 1.00 40.32 0 B 2 +ATOM 2514 C C . GLU B 1 112 ? -5.379 23.105 13.821 1.00 39.96 0 B 2 +ATOM 2515 O O . GLU B 1 112 ? -5.812 23.788 14.748 1.00 37.48 0 B 2 +ATOM 2516 C CB . GLU B 1 112 ? -5.833 23.756 11.470 1.00 45.58 0 B 2 +ATOM 2517 C CG . GLU B 1 112 ? -5.518 24.649 10.279 1.00 57.87 0 B 2 +ATOM 2518 C CD . GLU B 1 112 ? -4.276 24.207 9.516 1.00 66.43 0 B 2 +ATOM 2519 O OE1 . GLU B 1 112 ? -4.153 23.001 9.197 1.00 69.25 0 B 2 +ATOM 2520 O OE2 . GLU B 1 112 ? -3.418 25.070 9.224 1.00 70.22 0 B 2 +ATOM 2521 N N . ALA B 1 113 ? -5.432 21.779 13.809 1.00 39.61 0 B 2 +ATOM 2522 C CA . ALA B 1 113 ? -6.006 21.032 14.924 1.00 39.70 0 B 2 +ATOM 2523 C C . ALA B 1 113 ? -5.135 20.979 16.182 1.00 39.13 0 B 2 +ATOM 2524 O O . ALA B 1 113 ? -5.643 21.147 17.301 1.00 37.61 0 B 2 +ATOM 2525 C CB . ALA B 1 113 ? -6.377 19.618 14.468 1.00 35.64 0 B 2 +ATOM 2526 N N . GLY B 1 114 ? -3.828 20.798 16.004 1.00 34.25 0 B 2 +ATOM 2527 C CA . GLY B 1 114 ? -2.960 20.686 17.160 1.00 32.91 0 B 2 +ATOM 2528 C C . GLY B 1 114 ? -2.219 21.893 17.702 1.00 34.64 0 B 2 +ATOM 2529 O O . GLY B 1 114 ? -1.600 21.790 18.765 1.00 39.67 0 B 2 +ATOM 2530 N N . LYS B 1 115 ? -2.307 23.038 17.033 1.00 29.92 0 B 2 +ATOM 2531 C CA . LYS B 1 115 ? -1.576 24.217 17.489 1.00 27.73 0 B 2 +ATOM 2532 C C . LYS B 1 115 ? -1.880 24.585 18.940 1.00 30.01 0 B 2 +ATOM 2533 O O . LYS B 1 115 ? -0.959 24.805 19.726 1.00 29.24 0 B 2 +ATOM 2534 C CB . LYS B 1 115 ? -1.843 25.409 16.564 1.00 28.93 0 B 2 +ATOM 2535 C CG . LYS B 1 115 ? -0.837 26.549 16.691 1.00 25.87 0 B 2 +ATOM 2536 C CD . LYS B 1 115 ? -1.191 27.659 15.735 1.00 24.67 0 B 2 +ATOM 2537 C CE . LYS B 1 115 ? -0.390 28.915 16.004 1.00 27.13 0 B 2 +ATOM 2538 N NZ . LYS B 1 115 ? 1.055 28.719 15.779 1.00 34.77 0 B 2 +ATOM 2539 N N . ASP B 1 116 ? -3.155 24.596 19.313 1.00 33.95 0 B 2 +ATOM 2540 C CA . ASP B 1 116 ? -3.525 24.954 20.689 1.00 35.51 0 B 2 +ATOM 2541 C C . ASP B 1 116 ? -2.889 24.028 21.704 1.00 29.03 0 B 2 +ATOM 2542 O O . ASP B 1 116 ? -2.236 24.464 22.654 1.00 28.61 0 B 2 +ATOM 2543 C CB . ASP B 1 116 ? -5.045 24.935 20.871 1.00 44.25 0 B 2 +ATOM 2544 C CG . ASP B 1 116 ? -5.750 25.992 20.041 1.00 51.75 0 B 2 +ATOM 2545 O OD1 . ASP B 1 116 ? -5.164 27.075 19.808 1.00 58.31 0 B 2 +ATOM 2546 O OD2 . ASP B 1 116 ? -6.898 25.740 19.619 1.00 58.15 0 B 2 +ATOM 2547 N N . ASP B 1 117 ? -3.052 22.736 21.481 1.00 28.73 0 B 2 +ATOM 2548 C CA . ASP B 1 117 ? -2.493 21.760 22.386 1.00 28.70 0 B 2 +ATOM 2549 C C . ASP B 1 117 ? -0.978 21.843 22.444 1.00 21.76 0 B 2 +ATOM 2550 O O . ASP B 1 117 ? -0.385 21.714 23.510 1.00 20.81 0 B 2 +ATOM 2551 C CB . ASP B 1 117 ? -2.956 20.366 21.988 1.00 29.74 0 B 2 +ATOM 2552 C CG . ASP B 1 117 ? -4.429 20.132 22.300 1.00 35.26 0 B 2 +ATOM 2553 O OD1 . ASP B 1 117 ? -4.985 20.800 23.210 1.00 35.44 0 B 2 +ATOM 2554 O OD2 . ASP B 1 117 ? -5.033 19.268 21.635 1.00 41.24 0 B 2 +ATOM 2555 N N . TYR B 1 118 ? -0.366 22.140 21.307 1.00 23.96 0 B 2 +ATOM 2556 C CA . TYR B 1 118 ? 1.076 22.238 21.219 1.00 19.97 0 B 2 +ATOM 2557 C C . TYR B 1 118 ? 1.578 23.423 22.039 1.00 17.13 0 B 2 +ATOM 2558 O O . TYR B 1 118 ? 2.510 23.297 22.843 1.00 17.96 0 B 2 +ATOM 2559 C CB . TYR B 1 118 ? 1.491 22.380 19.751 1.00 18.94 0 B 2 +ATOM 2560 C CG . TYR B 1 118 ? 2.984 22.273 19.524 1.00 22.33 0 B 2 +ATOM 2561 C CD1 . TYR B 1 118 ? 3.794 23.397 19.583 1.00 18.69 0 B 2 +ATOM 2562 C CD2 . TYR B 1 118 ? 3.587 21.039 19.279 1.00 13.45 0 B 2 +ATOM 2563 C CE1 . TYR B 1 118 ? 5.161 23.297 19.411 1.00 20.36 0 B 2 +ATOM 2564 C CE2 . TYR B 1 118 ? 4.957 20.929 19.105 1.00 16.72 0 B 2 +ATOM 2565 C CZ . TYR B 1 118 ? 5.738 22.076 19.175 1.00 19.14 0 B 2 +ATOM 2566 O OH . TYR B 1 118 ? 7.107 22.029 19.021 1.00 11.54 0 B 2 +ATOM 2567 N N . VAL B 1 119 ? 0.930 24.565 21.847 1.00 23.85 0 B 2 +ATOM 2568 C CA . VAL B 1 119 ? 1.303 25.788 22.539 1.00 25.99 0 B 2 +ATOM 2569 C C . VAL B 1 119 ? 1.066 25.648 24.036 1.00 28.40 0 B 2 +ATOM 2570 O O . VAL B 1 119 ? 1.823 26.195 24.842 1.00 25.88 0 B 2 +ATOM 2571 C CB . VAL B 1 119 ? 0.552 27.007 21.946 1.00 28.98 0 B 2 +ATOM 2572 C CG1 . VAL B 1 119 ? 0.776 28.255 22.806 1.00 29.15 0 B 2 +ATOM 2573 C CG2 . VAL B 1 119 ? 1.016 27.254 20.500 1.00 17.09 0 B 2 +ATOM 2574 N N . LYS B 1 120 ? 0.029 24.897 24.407 1.00 30.15 0 B 2 +ATOM 2575 C CA . LYS B 1 120 ? -0.264 24.670 25.818 1.00 34.33 0 B 2 +ATOM 2576 C C . LYS B 1 120 ? 0.852 23.840 26.437 1.00 30.92 0 B 2 +ATOM 2577 O O . LYS B 1 120 ? 1.265 24.095 27.564 1.00 29.87 0 B 2 +ATOM 2578 C CB . LYS B 1 120 ? -1.598 23.939 25.987 1.00 39.46 0 B 2 +ATOM 2579 C CG . LYS B 1 120 ? -2.811 24.809 25.756 1.00 53.02 0 B 2 +ATOM 2580 C CD . LYS B 1 120 ? -4.067 23.959 25.742 1.00 60.62 0 B 2 +ATOM 2581 C CE . LYS B 1 120 ? -5.319 24.802 25.567 1.00 64.46 0 B 2 +ATOM 2582 N NZ . LYS B 1 120 ? -6.497 23.933 25.258 1.00 70.16 0 B 2 +ATOM 2583 N N . ALA B 1 121 ? 1.363 22.869 25.684 1.00 22.35 0 B 2 +ATOM 2584 C CA . ALA B 1 121 ? 2.428 22.010 26.184 1.00 24.36 0 B 2 +ATOM 2585 C C . ALA B 1 121 ? 3.828 22.630 26.114 1.00 20.41 0 B 2 +ATOM 2586 O O . ALA B 1 121 ? 4.726 22.213 26.848 1.00 24.85 0 B 2 +ATOM 2587 C CB . ALA B 1 121 ? 2.402 20.669 25.444 1.00 20.94 0 B 2 +ATOM 2588 N N . LEU B 1 122 ? 4.005 23.658 25.293 1.00 15.49 0 B 2 +ATOM 2589 C CA . LEU B 1 122 ? 5.314 24.283 25.142 1.00 19.00 0 B 2 +ATOM 2590 C C . LEU B 1 122 ? 6.102 24.596 26.411 1.00 18.30 0 B 2 +ATOM 2591 O O . LEU B 1 122 ? 7.260 24.172 26.541 1.00 23.78 0 B 2 +ATOM 2592 C CB . LEU B 1 122 ? 5.235 25.538 24.263 1.00 14.40 0 B 2 +ATOM 2593 C CG . LEU B 1 122 ? 5.884 25.429 22.880 1.00 17.81 0 B 2 +ATOM 2594 C CD1 . LEU B 1 122 ? 6.131 26.829 22.300 1.00 16.25 0 B 2 +ATOM 2595 C CD2 . LEU B 1 122 ? 7.188 24.657 22.970 1.00 13.02 0 B 2 +ATOM 2596 N N . PRO B 1 123 ? 5.510 25.325 27.364 1.00 18.24 0 B 2 +ATOM 2597 C CA . PRO B 1 123 ? 6.236 25.646 28.598 1.00 19.61 0 B 2 +ATOM 2598 C C . PRO B 1 123 ? 7.035 24.468 29.166 1.00 18.22 0 B 2 +ATOM 2599 O O . PRO B 1 123 ? 8.232 24.584 29.446 1.00 13.70 0 B 2 +ATOM 2600 C CB . PRO B 1 123 ? 5.114 26.081 29.542 1.00 21.71 0 B 2 +ATOM 2601 C CG . PRO B 1 123 ? 4.145 26.740 28.618 1.00 12.17 0 B 2 +ATOM 2602 C CD . PRO B 1 123 ? 4.104 25.787 27.451 1.00 17.58 0 B 2 +ATOM 2603 N N . GLY B 1 124 ? 6.370 23.325 29.263 1.00 20.98 0 B 2 +ATOM 2604 C CA . GLY B 1 124 ? 7.008 22.130 29.779 1.00 20.86 0 B 2 +ATOM 2605 C C . GLY B 1 124 ? 8.130 21.604 28.901 1.00 16.94 0 B 2 +ATOM 2606 O O . GLY B 1 124 ? 9.083 21.007 29.403 1.00 22.74 0 B 2 +ATOM 2607 N N . GLN B 1 125 ? 8.027 21.838 27.595 1.00 15.11 0 B 2 +ATOM 2608 C CA . GLN B 1 125 ? 9.038 21.382 26.653 1.00 15.19 0 B 2 +ATOM 2609 C C . GLN B 1 125 ? 10.251 22.292 26.663 1.00 13.14 0 B 2 +ATOM 2610 O O . GLN B 1 125 ? 11.356 21.868 26.334 1.00 19.56 0 B 2 +ATOM 2611 C CB . GLN B 1 125 ? 8.458 21.335 25.239 1.00 16.11 0 B 2 +ATOM 2612 C CG . GLN B 1 125 ? 7.275 20.389 25.083 1.00 20.92 0 B 2 +ATOM 2613 C CD . GLN B 1 125 ? 7.649 18.949 25.366 1.00 25.52 0 B 2 +ATOM 2614 N NE2 . GLN B 1 125 ? 8.726 18.489 24.746 1.00 26.48 0 B 2 +ATOM 2615 O OE1 . GLN B 1 125 ? 6.984 18.259 26.140 1.00 26.29 0 B 2 +ATOM 2616 N N . LEU B 1 126 ? 10.039 23.552 27.016 1.00 14.89 0 B 2 +ATOM 2617 C CA . LEU B 1 126 ? 11.124 24.530 27.051 1.00 15.96 0 B 2 +ATOM 2618 C C . LEU B 1 126 ? 11.818 24.542 28.399 1.00 17.08 0 B 2 +ATOM 2619 O O . LEU B 1 126 ? 13.022 24.790 28.476 1.00 20.75 0 B 2 +ATOM 2620 C CB . LEU B 1 126 ? 10.588 25.931 26.734 1.00 16.96 0 B 2 +ATOM 2621 C CG . LEU B 1 126 ? 9.995 26.125 25.341 1.00 17.57 0 B 2 +ATOM 2622 C CD1 . LEU B 1 126 ? 9.413 27.536 25.191 1.00 15.98 0 B 2 +ATOM 2623 C CD2 . LEU B 1 126 ? 11.085 25.858 24.309 1.00 20.24 0 B 2 +ATOM 2624 N N . LYS B 1 127 ? 11.054 24.267 29.453 1.00 21.06 0 B 2 +ATOM 2625 C CA . LYS B 1 127 ? 11.562 24.219 30.822 1.00 23.43 0 B 2 +ATOM 2626 C C . LYS B 1 127 ? 12.930 23.530 30.985 1.00 22.54 0 B 2 +ATOM 2627 O O . LYS B 1 127 ? 13.791 24.036 31.710 1.00 22.29 0 B 2 +ATOM 2628 C CB . LYS B 1 127 ? 10.529 23.540 31.719 1.00 28.89 0 B 2 +ATOM 2629 C CG . LYS B 1 127 ? 10.049 24.396 32.876 1.00 37.23 0 B 2 +ATOM 2630 C CD . LYS B 1 127 ? 8.808 23.799 33.506 1.00 42.49 0 B 2 +ATOM 2631 C CE . LYS B 1 127 ? 8.202 24.721 34.545 1.00 47.02 0 B 2 +ATOM 2632 N NZ . LYS B 1 127 ? 6.843 24.245 34.915 1.00 50.63 0 B 2 +ATOM 2633 N N . PRO B 1 128 ? 13.137 22.359 30.340 1.00 19.21 0 B 2 +ATOM 2634 C CA . PRO B 1 128 ? 14.436 21.678 30.470 1.00 17.04 0 B 2 +ATOM 2635 C C . PRO B 1 128 ? 15.660 22.522 30.059 1.00 16.86 0 B 2 +ATOM 2636 O O . PRO B 1 128 ? 16.725 22.448 30.685 1.00 17.37 0 B 2 +ATOM 2637 C CB . PRO B 1 128 ? 14.271 20.462 29.555 1.00 17.39 0 B 2 +ATOM 2638 C CG . PRO B 1 128 ? 12.812 20.150 29.675 1.00 19.10 0 B 2 +ATOM 2639 C CD . PRO B 1 128 ? 12.184 21.527 29.576 1.00 12.84 0 B 2 +ATOM 2640 N N . PHE B 1 129 ? 15.494 23.360 29.042 1.00 15.22 0 B 2 +ATOM 2641 C CA . PHE B 1 129 ? 16.606 24.184 28.564 1.00 17.42 0 B 2 +ATOM 2642 C C . PHE B 1 129 ? 16.895 25.364 29.481 1.00 17.17 0 B 2 +ATOM 2643 O O . PHE B 1 129 ? 18.045 25.770 29.646 1.00 14.35 0 B 2 +ATOM 2644 C CB . PHE B 1 129 ? 16.350 24.604 27.116 1.00 11.90 0 B 2 +ATOM 2645 C CG . PHE B 1 129 ? 16.091 23.442 26.218 1.00 16.61 0 B 2 +ATOM 2646 C CD1 . PHE B 1 129 ? 17.140 22.629 25.791 1.00 17.88 0 B 2 +ATOM 2647 C CD2 . PHE B 1 129 ? 14.792 23.094 25.868 1.00 17.70 0 B 2 +ATOM 2648 C CE1 . PHE B 1 129 ? 16.894 21.485 25.034 1.00 17.94 0 B 2 +ATOM 2649 C CE2 . PHE B 1 129 ? 14.536 21.944 25.106 1.00 19.09 0 B 2 +ATOM 2650 C CZ . PHE B 1 129 ? 15.589 21.138 24.695 1.00 8.60 0 B 2 +ATOM 2651 N N . GLU B 1 130 ? 15.852 25.866 30.123 1.00 17.70 0 B 2 +ATOM 2652 C CA . GLU B 1 130 ? 15.985 26.974 31.070 1.00 18.86 0 B 2 +ATOM 2653 C C . GLU B 1 130 ? 16.747 26.417 32.295 1.00 18.28 0 B 2 +ATOM 2654 O O . GLU B 1 130 ? 17.729 27.013 32.762 1.00 19.21 0 B 2 +ATOM 2655 C CB . GLU B 1 130 ? 14.579 27.499 31.440 1.00 18.24 0 B 2 +ATOM 2656 C CG . GLU B 1 130 ? 14.510 28.643 32.458 1.00 19.04 0 B 2 +ATOM 2657 C CD . GLU B 1 130 ? 14.987 29.993 31.934 1.00 20.57 0 B 2 +ATOM 2658 O OE1 . GLU B 1 130 ? 15.338 30.108 30.742 1.00 22.44 0 B 2 +ATOM 2659 O OE2 . GLU B 1 130 ? 15.003 30.949 32.731 1.00 15.29 0 B 2 +ATOM 2660 N N . THR B 1 131 ? 16.358 25.217 32.729 1.00 20.89 0 B 2 +ATOM 2661 C CA . THR B 1 131 ? 16.976 24.544 33.862 1.00 17.30 0 B 2 +ATOM 2662 C C . THR B 1 131 ? 18.452 24.317 33.597 1.00 17.68 0 B 2 +ATOM 2663 O O . THR B 1 131 ? 19.293 24.602 34.453 1.00 22.51 0 B 2 +ATOM 2664 C CB . THR B 1 131 ? 16.289 23.199 34.136 1.00 20.96 0 B 2 +ATOM 2665 C CG2 . THR B 1 131 ? 16.888 22.528 35.371 1.00 23.00 0 B 2 +ATOM 2666 O OG1 . THR B 1 131 ? 14.888 23.417 34.337 1.00 22.20 0 B 2 +ATOM 2667 N N . LEU B 1 132 ? 18.757 23.799 32.411 1.00 16.96 0 B 2 +ATOM 2668 C CA . LEU B 1 132 ? 20.142 23.547 31.995 1.00 20.31 0 B 2 +ATOM 2669 C C . LEU B 1 132 ? 20.949 24.826 32.145 1.00 20.33 0 B 2 +ATOM 2670 O O . LEU B 1 132 ? 22.056 24.832 32.688 1.00 20.23 0 B 2 +ATOM 2671 C CB . LEU B 1 132 ? 20.163 23.120 30.526 1.00 17.56 0 B 2 +ATOM 2672 C CG . LEU B 1 132 ? 19.867 21.647 30.302 1.00 20.00 0 B 2 +ATOM 2673 C CD1 . LEU B 1 132 ? 19.517 21.382 28.858 1.00 16.07 0 B 2 +ATOM 2674 C CD2 . LEU B 1 132 ? 21.095 20.867 30.719 1.00 18.95 0 B 2 +ATOM 2675 N N . LEU B 1 133 ? 20.347 25.915 31.691 1.00 23.10 0 B 2 +ATOM 2676 C CA . LEU B 1 133 ? 20.960 27.224 31.749 1.00 21.20 0 B 2 +ATOM 2677 C C . LEU B 1 133 ? 21.234 27.659 33.192 1.00 19.95 0 B 2 +ATOM 2678 O O . LEU B 1 133 ? 22.335 28.115 33.506 1.00 24.25 0 B 2 +ATOM 2679 C CB . LEU B 1 133 ? 20.059 28.232 31.046 1.00 17.55 0 B 2 +ATOM 2680 C CG . LEU B 1 133 ? 20.647 29.033 29.893 1.00 20.13 0 B 2 +ATOM 2681 C CD1 . LEU B 1 133 ? 21.746 28.256 29.196 1.00 19.19 0 B 2 +ATOM 2682 C CD2 . LEU B 1 133 ? 19.520 29.385 28.919 1.00 12.12 0 B 2 +ATOM 2683 N N . SER B 1 134 ? 20.265 27.496 34.084 1.00 21.03 0 B 2 +ATOM 2684 C CA . SER B 1 134 ? 20.462 27.897 35.475 1.00 22.63 0 B 2 +ATOM 2685 C C . SER B 1 134 ? 21.562 27.098 36.171 1.00 23.34 0 B 2 +ATOM 2686 O O . SER B 1 134 ? 22.098 27.531 37.196 1.00 23.80 0 B 2 +ATOM 2687 C CB . SER B 1 134 ? 19.161 27.771 36.269 1.00 17.88 0 B 2 +ATOM 2688 O OG . SER B 1 134 ? 18.793 26.408 36.416 1.00 25.31 0 B 2 +ATOM 2689 N N . GLN B 1 135 ? 21.891 25.932 35.630 1.00 24.21 0 B 2 +ATOM 2690 C CA . GLN B 1 135 ? 22.927 25.102 36.239 1.00 24.74 0 B 2 +ATOM 2691 C C . GLN B 1 135 ? 24.317 25.380 35.688 1.00 23.07 0 B 2 +ATOM 2692 O O . GLN B 1 135 ? 25.315 24.845 36.180 1.00 25.24 0 B 2 +ATOM 2693 C CB . GLN B 1 135 ? 22.576 23.626 36.090 1.00 22.15 0 B 2 +ATOM 2694 C CG . GLN B 1 135 ? 21.291 23.255 36.786 1.00 28.93 0 B 2 +ATOM 2695 C CD . GLN B 1 135 ? 20.722 21.941 36.294 1.00 33.29 0 B 2 +ATOM 2696 N NE2 . GLN B 1 135 ? 19.763 21.407 37.036 1.00 30.68 0 B 2 +ATOM 2697 O OE1 . GLN B 1 135 ? 21.133 21.413 35.257 1.00 36.02 0 B 2 +ATOM 2698 N N . ASN B 1 136 ? 24.393 26.248 34.693 1.00 24.65 0 B 2 +ATOM 2699 C CA . ASN B 1 136 ? 25.670 26.578 34.085 1.00 23.45 0 B 2 +ATOM 2700 C C . ASN B 1 136 ? 25.952 28.076 34.172 1.00 24.28 0 B 2 +ATOM 2701 O O . ASN B 1 136 ? 25.565 28.846 33.302 1.00 22.10 0 B 2 +ATOM 2702 C CB . ASN B 1 136 ? 25.673 26.103 32.626 1.00 22.01 0 B 2 +ATOM 2703 C CG . ASN B 1 136 ? 26.978 26.384 31.919 1.00 19.62 0 B 2 +ATOM 2704 N ND2 . ASN B 1 136 ? 28.070 26.372 32.663 1.00 21.96 0 B 2 +ATOM 2705 O OD1 . ASN B 1 136 ? 27.015 26.555 30.702 1.00 27.05 0 B 2 +ATOM 2706 N N . GLN B 1 137 ? 26.615 28.484 35.253 1.00 32.94 0 B 2 +ATOM 2707 C CA . GLN B 1 137 ? 26.976 29.882 35.488 1.00 35.56 0 B 2 +ATOM 2708 C C . GLN B 1 137 ? 25.800 30.841 35.410 1.00 34.51 0 B 2 +ATOM 2709 O O . GLN B 1 137 ? 25.911 31.930 34.846 1.00 36.90 0 B 2 +ATOM 2710 C CB . GLN B 1 137 ? 28.060 30.348 34.519 1.00 41.22 0 B 2 +ATOM 2711 C CG . GLN B 1 137 ? 29.379 29.633 34.674 1.00 50.17 0 B 2 +ATOM 2712 C CD . GLN B 1 137 ? 30.504 30.359 33.974 1.00 58.75 0 B 2 +ATOM 2713 N NE2 . GLN B 1 137 ? 31.446 30.869 34.756 1.00 64.72 0 B 2 +ATOM 2714 O OE1 . GLN B 1 137 ? 30.528 30.470 32.744 1.00 63.00 0 B 2 +ATOM 2715 N N . GLY B 1 138 ? 24.660 30.402 35.920 1.00 30.72 0 B 2 +ATOM 2716 C CA . GLY B 1 138 ? 23.481 31.246 35.930 1.00 28.77 0 B 2 +ATOM 2717 C C . GLY B 1 138 ? 22.964 31.613 34.563 1.00 26.54 0 B 2 +ATOM 2718 O O . GLY B 1 138 ? 22.333 32.657 34.406 1.00 27.81 0 B 2 +ATOM 2719 N N . GLY B 1 139 ? 23.256 30.775 33.570 1.00 27.34 0 B 2 +ATOM 2720 C CA . GLY B 1 139 ? 22.786 31.024 32.221 1.00 31.49 0 B 2 +ATOM 2721 C C . GLY B 1 139 ? 23.441 32.208 31.552 1.00 31.30 0 B 2 +ATOM 2722 O O . GLY B 1 139 ? 22.931 32.708 30.554 1.00 34.21 0 B 2 +ATOM 2723 N N . LYS B 1 140 ? 24.588 32.631 32.067 1.00 30.40 0 B 2 +ATOM 2724 C CA . LYS B 1 140 ? 25.299 33.771 31.516 1.00 26.34 0 B 2 +ATOM 2725 C C . LYS B 1 140 ? 26.100 33.485 30.256 1.00 22.39 0 B 2 +ATOM 2726 O O . LYS B 1 140 ? 26.272 34.371 29.426 1.00 27.20 0 B 2 +ATOM 2727 C CB . LYS B 1 140 ? 26.207 34.380 32.584 1.00 34.80 0 B 2 +ATOM 2728 C CG . LYS B 1 140 ? 25.813 35.790 33.006 1.00 45.10 0 B 2 +ATOM 2729 C CD . LYS B 1 140 ? 24.352 35.866 33.433 1.00 55.71 0 B 2 +ATOM 2730 C CE . LYS B 1 140 ? 23.928 37.305 33.694 1.00 61.59 0 B 2 +ATOM 2731 N NZ . LYS B 1 140 ? 22.507 37.371 34.121 1.00 61.43 0 B 2 +ATOM 2732 N N . THR B 1 141 ? 26.593 32.261 30.102 1.00 21.81 0 B 2 +ATOM 2733 C CA . THR B 1 141 ? 27.398 31.936 28.933 1.00 18.45 0 B 2 +ATOM 2734 C C . THR B 1 141 ? 26.710 31.109 27.846 1.00 23.00 0 B 2 +ATOM 2735 O O . THR B 1 141 ? 25.975 31.671 27.025 1.00 22.68 0 B 2 +ATOM 2736 C CB . THR B 1 141 ? 28.736 31.290 29.341 1.00 16.61 0 B 2 +ATOM 2737 C CG2 . THR B 1 141 ? 29.566 32.273 30.142 1.00 11.71 0 B 2 +ATOM 2738 O OG1 . THR B 1 141 ? 28.482 30.130 30.139 1.00 20.20 0 B 2 +ATOM 2739 N N . PHE B 1 142 ? 26.926 29.794 27.836 1.00 19.96 0 B 2 +ATOM 2740 C CA . PHE B 1 142 ? 26.340 28.933 26.815 1.00 16.47 0 B 2 +ATOM 2741 C C . PHE B 1 142 ? 25.537 27.796 27.411 1.00 13.47 0 B 2 +ATOM 2742 O O . PHE B 1 142 ? 25.478 27.668 28.628 1.00 15.59 0 B 2 +ATOM 2743 C CB . PHE B 1 142 ? 27.442 28.416 25.889 1.00 12.29 0 B 2 +ATOM 2744 C CG . PHE B 1 142 ? 28.209 29.521 25.213 1.00 14.33 0 B 2 +ATOM 2745 C CD1 . PHE B 1 142 ? 27.643 30.227 24.146 1.00 14.29 0 B 2 +ATOM 2746 C CD2 . PHE B 1 142 ? 29.455 29.908 25.681 1.00 14.55 0 B 2 +ATOM 2747 C CE1 . PHE B 1 142 ? 28.314 31.297 23.554 1.00 15.53 0 B 2 +ATOM 2748 C CE2 . PHE B 1 142 ? 30.141 30.979 25.095 1.00 16.31 0 B 2 +ATOM 2749 C CZ . PHE B 1 142 ? 29.565 31.679 24.034 1.00 16.20 0 B 2 +ATOM 2750 N N . ILE B 1 143 ? 24.932 26.962 26.571 1.00 14.04 0 B 2 +ATOM 2751 C CA . ILE B 1 143 ? 24.110 25.874 27.098 1.00 13.69 0 B 2 +ATOM 2752 C C . ILE B 1 143 ? 24.909 24.841 27.903 1.00 14.12 0 B 2 +ATOM 2753 O O . ILE B 1 143 ? 24.372 24.203 28.811 1.00 14.14 0 B 2 +ATOM 2754 C CB . ILE B 1 143 ? 23.241 25.197 26.006 1.00 5.42 0 B 2 +ATOM 2755 C CG1 . ILE B 1 143 ? 22.171 24.339 26.664 1.00 6.97 0 B 2 +ATOM 2756 C CG2 . ILE B 1 143 ? 24.078 24.371 25.081 1.00 2.54 0 B 2 +ATOM 2757 C CD1 . ILE B 1 143 ? 21.215 25.121 27.548 1.00 10.57 0 B 2 +ATOM 2758 N N . VAL B 1 144 ? 26.188 24.689 27.564 1.00 13.71 0 B 2 +ATOM 2759 C CA . VAL B 1 144 ? 27.082 23.766 28.251 1.00 13.16 0 B 2 +ATOM 2760 C C . VAL B 1 144 ? 28.479 24.376 28.272 1.00 15.36 0 B 2 +ATOM 2761 O O . VAL B 1 144 ? 29.023 24.731 27.222 1.00 17.05 0 B 2 +ATOM 2762 C CB . VAL B 1 144 ? 27.181 22.403 27.525 1.00 12.66 0 B 2 +ATOM 2763 C CG1 . VAL B 1 144 ? 28.320 21.576 28.124 1.00 7.81 0 B 2 +ATOM 2764 C CG2 . VAL B 1 144 ? 25.861 21.642 27.626 1.00 10.81 0 B 2 +ATOM 2765 N N . GLY B 1 145 ? 29.062 24.461 29.461 1.00 11.07 0 B 2 +ATOM 2766 C CA . GLY B 1 145 ? 30.403 25.009 29.587 1.00 14.99 0 B 2 +ATOM 2767 C C . GLY B 1 145 ? 30.481 26.500 29.321 1.00 14.24 0 B 2 +ATOM 2768 O O . GLY B 1 145 ? 29.464 27.195 29.341 1.00 13.15 0 B 2 +ATOM 2769 N N . ASP B 1 146 ? 31.688 27.002 29.087 1.00 21.64 0 B 2 +ATOM 2770 C CA . ASP B 1 146 ? 31.864 28.428 28.837 1.00 29.49 0 B 2 +ATOM 2771 C C . ASP B 1 146 ? 32.226 28.794 27.399 1.00 27.00 0 B 2 +ATOM 2772 O O . ASP B 1 146 ? 32.533 29.946 27.096 1.00 28.71 0 B 2 +ATOM 2773 C CB . ASP B 1 146 ? 32.890 29.009 29.813 1.00 34.77 0 B 2 +ATOM 2774 C CG . ASP B 1 146 ? 34.194 28.235 29.824 1.00 41.89 0 B 2 +ATOM 2775 O OD1 . ASP B 1 146 ? 34.577 27.645 28.786 1.00 47.12 0 B 2 +ATOM 2776 O OD2 . ASP B 1 146 ? 34.844 28.227 30.891 1.00 49.55 0 B 2 +ATOM 2777 N N . GLN B 1 147 ? 32.202 27.803 26.519 1.00 25.29 0 B 2 +ATOM 2778 C CA . GLN B 1 147 ? 32.510 28.027 25.115 1.00 27.54 0 B 2 +ATOM 2779 C C . GLN B 1 147 ? 31.279 27.557 24.343 1.00 25.52 0 B 2 +ATOM 2780 O O . GLN B 1 147 ? 30.567 26.654 24.796 1.00 19.49 0 B 2 +ATOM 2781 C CB . GLN B 1 147 ? 33.749 27.230 24.695 1.00 32.31 0 B 2 +ATOM 2782 C CG . GLN B 1 147 ? 33.707 25.767 25.140 1.00 48.14 0 B 2 +ATOM 2783 C CD . GLN B 1 147 ? 34.821 24.909 24.563 1.00 51.13 0 B 2 +ATOM 2784 N NE2 . GLN B 1 147 ? 34.720 24.572 23.271 1.00 48.56 0 B 2 +ATOM 2785 O OE1 . GLN B 1 147 ? 35.742 24.516 25.285 1.00 51.25 0 B 2 +ATOM 2786 N N . ILE B 1 148 ? 31.024 28.169 23.195 1.00 19.95 0 B 2 +ATOM 2787 C CA . ILE B 1 148 ? 29.858 27.824 22.390 1.00 18.81 0 B 2 +ATOM 2788 C C . ILE B 1 148 ? 29.994 26.441 21.741 1.00 19.26 0 B 2 +ATOM 2789 O O . ILE B 1 148 ? 31.104 25.992 21.471 1.00 18.93 0 B 2 +ATOM 2790 C CB . ILE B 1 148 ? 29.606 28.904 21.311 1.00 16.83 0 B 2 +ATOM 2791 C CG1 . ILE B 1 148 ? 28.132 28.911 20.914 1.00 18.74 0 B 2 +ATOM 2792 C CG2 . ILE B 1 148 ? 30.502 28.661 20.086 1.00 15.01 0 B 2 +ATOM 2793 C CD1 . ILE B 1 148 ? 27.721 30.118 20.121 1.00 14.19 0 B 2 +ATOM 2794 N N . SER B 1 149 ? 28.865 25.777 21.476 1.00 17.66 0 B 2 +ATOM 2795 C CA . SER B 1 149 ? 28.883 24.447 20.871 1.00 18.92 0 B 2 +ATOM 2796 C C . SER B 1 149 ? 27.770 24.337 19.835 1.00 14.12 0 B 2 +ATOM 2797 O O . SER B 1 149 ? 26.837 25.138 19.859 1.00 15.28 0 B 2 +ATOM 2798 C CB . SER B 1 149 ? 28.678 23.378 21.938 1.00 13.52 0 B 2 +ATOM 2799 O OG . SER B 1 149 ? 27.354 23.411 22.433 1.00 18.98 0 B 2 +ATOM 2800 N N . PHE B 1 150 ? 27.812 23.301 19.002 1.00 10.51 0 B 2 +ATOM 2801 C CA . PHE B 1 150 ? 26.778 23.147 17.971 1.00 14.62 0 B 2 +ATOM 2802 C C . PHE B 1 150 ? 25.386 23.070 18.582 1.00 13.35 0 B 2 +ATOM 2803 O O . PHE B 1 150 ? 24.400 23.464 17.956 1.00 17.57 0 B 2 +ATOM 2804 C CB . PHE B 1 150 ? 27.042 21.921 17.077 1.00 13.17 0 B 2 +ATOM 2805 C CG . PHE B 1 150 ? 26.930 20.601 17.789 1.00 14.56 0 B 2 +ATOM 2806 C CD1 . PHE B 1 150 ? 28.036 20.046 18.421 1.00 12.80 0 B 2 +ATOM 2807 C CD2 . PHE B 1 150 ? 25.723 19.915 17.830 1.00 12.22 0 B 2 +ATOM 2808 C CE1 . PHE B 1 150 ? 27.941 18.827 19.077 1.00 12.82 0 B 2 +ATOM 2809 C CE2 . PHE B 1 150 ? 25.623 18.688 18.489 1.00 12.77 0 B 2 +ATOM 2810 C CZ . PHE B 1 150 ? 26.733 18.145 19.117 1.00 12.23 0 B 2 +ATOM 2811 N N . ALA B 1 151 ? 25.308 22.597 19.819 1.00 12.32 0 B 2 +ATOM 2812 C CA . ALA B 1 151 ? 24.023 22.493 20.483 1.00 5.43 0 B 2 +ATOM 2813 C C . ALA B 1 151 ? 23.435 23.882 20.673 1.00 7.58 0 B 2 +ATOM 2814 O O . ALA B 1 151 ? 22.222 24.047 20.603 1.00 14.56 0 B 2 +ATOM 2815 C CB . ALA B 1 151 ? 24.167 21.792 21.806 1.00 7.30 0 B 2 +ATOM 2816 N N . ASP B 1 152 ? 24.291 24.880 20.877 1.00 9.19 0 B 2 +ATOM 2817 C CA . ASP B 1 152 ? 23.825 26.252 21.073 1.00 13.38 0 B 2 +ATOM 2818 C C . ASP B 1 152 ? 23.060 26.752 19.853 1.00 11.24 0 B 2 +ATOM 2819 O O . ASP B 1 152 ? 21.926 27.210 19.967 1.00 20.67 0 B 2 +ATOM 2820 C CB . ASP B 1 152 ? 25.000 27.191 21.317 1.00 13.77 0 B 2 +ATOM 2821 C CG . ASP B 1 152 ? 25.555 27.091 22.715 1.00 18.46 0 B 2 +ATOM 2822 O OD1 . ASP B 1 152 ? 24.822 27.421 23.672 1.00 17.57 0 B 2 +ATOM 2823 O OD2 . ASP B 1 152 ? 26.734 26.704 22.861 1.00 16.84 0 B 2 +ATOM 2824 N N . TYR B 1 153 ? 23.687 26.635 18.687 1.00 10.18 0 B 2 +ATOM 2825 C CA . TYR B 1 153 ? 23.113 27.075 17.411 1.00 14.20 0 B 2 +ATOM 2826 C C . TYR B 1 153 ? 21.807 26.342 17.121 1.00 14.21 0 B 2 +ATOM 2827 O O . TYR B 1 153 ? 20.828 26.951 16.687 1.00 19.16 0 B 2 +ATOM 2828 C CB . TYR B 1 153 ? 24.131 26.867 16.259 1.00 11.06 0 B 2 +ATOM 2829 C CG . TYR B 1 153 ? 25.429 27.689 16.369 1.00 15.33 0 B 2 +ATOM 2830 C CD1 . TYR B 1 153 ? 25.487 29.043 16.003 1.00 12.64 0 B 2 +ATOM 2831 C CD2 . TYR B 1 153 ? 26.613 27.086 16.791 1.00 11.01 0 B 2 +ATOM 2832 C CE1 . TYR B 1 153 ? 26.698 29.758 16.063 1.00 13.54 0 B 2 +ATOM 2833 C CE2 . TYR B 1 153 ? 27.802 27.787 16.851 1.00 15.55 0 B 2 +ATOM 2834 C CZ . TYR B 1 153 ? 27.834 29.110 16.493 1.00 15.26 0 B 2 +ATOM 2835 O OH . TYR B 1 153 ? 29.019 29.766 16.625 1.00 26.37 0 B 2 +ATOM 2836 N N . ASN B 1 154 ? 21.758 25.068 17.475 1.00 11.02 0 B 2 +ATOM 2837 C CA . ASN B 1 154 ? 20.553 24.272 17.262 1.00 12.36 0 B 2 +ATOM 2838 C C . ASN B 1 154 ? 19.450 24.721 18.232 1.00 11.59 0 B 2 +ATOM 2839 O O . ASN B 1 154 ? 18.301 24.958 17.818 1.00 16.37 0 B 2 +ATOM 2840 C CB . ASN B 1 154 ? 20.847 22.780 17.447 1.00 12.52 0 B 2 +ATOM 2841 C CG . ASN B 1 154 ? 19.900 21.897 16.668 1.00 14.34 0 B 2 +ATOM 2842 N ND2 . ASN B 1 154 ? 19.038 22.501 15.858 1.00 11.42 0 B 2 +ATOM 2843 O OD1 . ASN B 1 154 ? 19.955 20.674 16.776 1.00 21.88 0 B 2 +ATOM 2844 N N . LEU B 1 155 ? 19.801 24.890 19.507 1.00 13.04 0 B 2 +ATOM 2845 C CA . LEU B 1 155 ? 18.839 25.338 20.508 1.00 12.57 0 B 2 +ATOM 2846 C C . LEU B 1 155 ? 18.368 26.759 20.167 1.00 14.39 0 B 2 +ATOM 2847 O O . LEU B 1 155 ? 17.185 27.072 20.297 1.00 16.57 0 B 2 +ATOM 2848 C CB . LEU B 1 155 ? 19.455 25.324 21.909 1.00 9.91 0 B 2 +ATOM 2849 C CG . LEU B 1 155 ? 18.537 25.924 22.984 1.00 9.64 0 B 2 +ATOM 2850 C CD1 . LEU B 1 155 ? 17.228 25.143 23.085 1.00 5.79 0 B 2 +ATOM 2851 C CD2 . LEU B 1 155 ? 19.247 25.947 24.304 1.00 13.09 0 B 2 +ATOM 2852 N N . LEU B 1 156 ? 19.293 27.606 19.719 1.00 13.04 0 B 2 +ATOM 2853 C CA . LEU B 1 156 ? 18.954 28.973 19.365 1.00 15.72 0 B 2 +ATOM 2854 C C . LEU B 1 156 ? 17.886 28.943 18.285 1.00 13.78 0 B 2 +ATOM 2855 O O . LEU B 1 156 ? 16.836 29.576 18.429 1.00 19.57 0 B 2 +ATOM 2856 C CB . LEU B 1 156 ? 20.175 29.730 18.850 1.00 14.52 0 B 2 +ATOM 2857 C CG . LEU B 1 156 ? 19.832 31.143 18.355 1.00 12.15 0 B 2 +ATOM 2858 C CD1 . LEU B 1 156 ? 19.149 31.901 19.460 1.00 10.71 0 B 2 +ATOM 2859 C CD2 . LEU B 1 156 ? 21.098 31.863 17.897 1.00 11.55 0 B 2 +ATOM 2860 N N . ASP B 1 157 ? 18.119 28.158 17.238 1.00 13.43 0 B 2 +ATOM 2861 C CA . ASP B 1 157 ? 17.150 28.066 16.156 1.00 13.19 0 B 2 +ATOM 2862 C C . ASP B 1 157 ? 15.813 27.566 16.657 1.00 15.76 0 B 2 +ATOM 2863 O O . ASP B 1 157 ? 14.764 28.126 16.312 1.00 14.69 0 B 2 +ATOM 2864 C CB . ASP B 1 157 ? 17.641 27.154 15.041 1.00 13.71 0 B 2 +ATOM 2865 C CG . ASP B 1 157 ? 16.658 27.076 13.895 1.00 16.58 0 B 2 +ATOM 2866 O OD1 . ASP B 1 157 ? 16.411 28.118 13.260 1.00 20.52 0 B 2 +ATOM 2867 O OD2 . ASP B 1 157 ? 16.100 25.989 13.656 1.00 16.71 0 B 2 +ATOM 2868 N N . LEU B 1 158 ? 15.841 26.524 17.483 1.00 13.29 0 B 2 +ATOM 2869 C CA . LEU B 1 158 ? 14.611 25.974 18.026 1.00 10.71 0 B 2 +ATOM 2870 C C . LEU B 1 158 ? 13.844 27.121 18.688 1.00 14.58 0 B 2 +ATOM 2871 O O . LEU B 1 158 ? 12.655 27.346 18.413 1.00 12.64 0 B 2 +ATOM 2872 C CB . LEU B 1 158 ? 14.934 24.911 19.076 1.00 11.71 0 B 2 +ATOM 2873 C CG . LEU B 1 158 ? 13.759 24.107 19.624 1.00 13.22 0 B 2 +ATOM 2874 C CD1 . LEU B 1 158 ? 13.180 23.256 18.500 1.00 16.54 0 B 2 +ATOM 2875 C CD2 . LEU B 1 158 ? 14.228 23.211 20.758 1.00 15.64 0 B 2 +ATOM 2876 N N . LEU B 1 159 ? 14.551 27.863 19.534 1.00 11.92 0 B 2 +ATOM 2877 C CA . LEU B 1 159 ? 13.955 28.978 20.243 1.00 12.01 0 B 2 +ATOM 2878 C C . LEU B 1 159 ? 13.384 29.994 19.271 1.00 11.20 0 B 2 +ATOM 2879 O O . LEU B 1 159 ? 12.202 30.336 19.341 1.00 18.11 0 B 2 +ATOM 2880 C CB . LEU B 1 159 ? 14.981 29.614 21.169 1.00 9.78 0 B 2 +ATOM 2881 C CG . LEU B 1 159 ? 15.443 28.635 22.265 1.00 10.85 0 B 2 +ATOM 2882 C CD1 . LEU B 1 159 ? 16.471 29.304 23.166 1.00 3.71 0 B 2 +ATOM 2883 C CD2 . LEU B 1 159 ? 14.246 28.146 23.083 1.00 8.70 0 B 2 +ATOM 2884 N N . LEU B 1 160 ? 14.188 30.413 18.312 1.00 12.51 0 B 2 +ATOM 2885 C CA . LEU B 1 160 ? 13.714 31.374 17.330 1.00 14.29 0 B 2 +ATOM 2886 C C . LEU B 1 160 ? 12.431 30.936 16.635 1.00 16.44 0 B 2 +ATOM 2887 O O . LEU B 1 160 ? 11.438 31.669 16.659 1.00 17.78 0 B 2 +ATOM 2888 C CB . LEU B 1 160 ? 14.787 31.659 16.280 1.00 8.44 0 B 2 +ATOM 2889 C CG . LEU B 1 160 ? 16.004 32.432 16.798 1.00 9.43 0 B 2 +ATOM 2890 C CD1 . LEU B 1 160 ? 17.042 32.511 15.708 1.00 11.30 0 B 2 +ATOM 2891 C CD2 . LEU B 1 160 ? 15.614 33.825 17.271 1.00 12.74 0 B 2 +ATOM 2892 N N . ILE B 1 161 ? 12.403 29.715 16.098 1.00 17.98 0 B 2 +ATOM 2893 C CA . ILE B 1 161 ? 11.201 29.287 15.379 1.00 16.60 0 B 2 +ATOM 2894 C C . ILE B 1 161 ? 10.004 29.194 16.284 1.00 18.65 0 B 2 +ATOM 2895 O O . ILE B 1 161 ? 8.870 29.386 15.835 1.00 18.17 0 B 2 +ATOM 2896 C CB . ILE B 1 161 ? 11.375 27.970 14.614 1.00 17.00 0 B 2 +ATOM 2897 C CG1 . ILE B 1 161 ? 11.622 26.809 15.577 1.00 19.08 0 B 2 +ATOM 2898 C CG2 . ILE B 1 161 ? 12.482 28.103 13.596 1.00 13.07 0 B 2 +ATOM 2899 C CD1 . ILE B 1 161 ? 11.993 25.523 14.878 1.00 12.31 0 B 2 +ATOM 2900 N N . HIS B 1 162 ? 10.240 28.958 17.568 1.00 19.39 0 B 2 +ATOM 2901 C CA . HIS B 1 162 ? 9.127 28.885 18.483 1.00 21.06 0 B 2 +ATOM 2902 C C . HIS B 1 162 ? 8.535 30.244 18.808 1.00 17.69 0 B 2 +ATOM 2903 O O . HIS B 1 162 ? 7.331 30.371 18.943 1.00 13.11 0 B 2 +ATOM 2904 C CB . HIS B 1 162 ? 9.474 28.061 19.725 1.00 17.39 0 B 2 +ATOM 2905 C CG . HIS B 1 162 ? 9.343 26.595 19.499 1.00 19.64 0 B 2 +ATOM 2906 C CD2 . HIS B 1 162 ? 8.282 25.758 19.642 1.00 16.21 0 B 2 +ATOM 2907 N ND1 . HIS B 1 162 ? 10.350 25.837 18.949 1.00 16.20 0 B 2 +ATOM 2908 C CE1 . HIS B 1 162 ? 9.916 24.608 18.750 1.00 15.25 0 B 2 +ATOM 2909 N NE2 . HIS B 1 162 ? 8.660 24.536 19.164 1.00 10.85 0 B 2 +ATOM 2910 N N . GLU B 1 163 ? 9.364 31.276 18.812 1.00 15.81 0 B 2 +ATOM 2911 C CA . GLU B 1 163 ? 8.857 32.617 19.095 1.00 25.52 0 B 2 +ATOM 2912 C C . GLU B 1 163 ? 7.866 33.017 18.002 1.00 21.29 0 B 2 +ATOM 2913 O O . GLU B 1 163 ? 6.879 33.691 18.251 1.00 20.65 0 B 2 +ATOM 2914 C CB . GLU B 1 163 ? 9.994 33.647 19.170 1.00 27.23 0 B 2 +ATOM 2915 C CG . GLU B 1 163 ? 10.669 33.744 20.536 1.00 34.34 0 B 2 +ATOM 2916 C CD . GLU B 1 163 ? 9.930 34.655 21.508 1.00 37.64 0 B 2 +ATOM 2917 O OE1 . GLU B 1 163 ? 9.880 35.875 21.248 1.00 39.21 0 B 2 +ATOM 2918 O OE2 . GLU B 1 163 ? 9.432 34.162 22.545 1.00 36.34 0 B 2 +ATOM 2919 N N . VAL B 1 164 ? 8.132 32.564 16.787 1.00 21.83 0 B 2 +ATOM 2920 C CA . VAL B 1 164 ? 7.267 32.855 15.659 1.00 18.91 0 B 2 +ATOM 2921 C C . VAL B 1 164 ? 5.994 32.049 15.804 1.00 21.88 0 B 2 +ATOM 2922 O O . VAL B 1 164 ? 4.895 32.563 15.572 1.00 25.75 0 B 2 +ATOM 2923 C CB . VAL B 1 164 ? 7.946 32.501 14.338 1.00 19.56 0 B 2 +ATOM 2924 C CG1 . VAL B 1 164 ? 6.990 32.641 13.189 1.00 19.33 0 B 2 +ATOM 2925 C CG2 . VAL B 1 164 ? 9.158 33.390 14.126 1.00 17.02 0 B 2 +ATOM 2926 N N . LEU B 1 165 ? 6.143 30.801 16.229 1.00 19.99 0 B 2 +ATOM 2927 C CA . LEU B 1 165 ? 5.000 29.917 16.404 1.00 19.17 0 B 2 +ATOM 2928 C C . LEU B 1 165 ? 4.092 30.395 17.532 1.00 19.58 0 B 2 +ATOM 2929 O O . LEU B 1 165 ? 2.880 30.447 17.384 1.00 17.01 0 B 2 +ATOM 2930 C CB . LEU B 1 165 ? 5.492 28.509 16.706 1.00 20.52 0 B 2 +ATOM 2931 C CG . LEU B 1 165 ? 4.403 27.457 16.903 1.00 22.32 0 B 2 +ATOM 2932 C CD1 . LEU B 1 165 ? 3.667 27.200 15.584 1.00 16.62 0 B 2 +ATOM 2933 C CD2 . LEU B 1 165 ? 5.056 26.192 17.407 1.00 17.85 0 B 2 +ATOM 2934 N N . ALA B 1 166 ? 4.691 30.707 18.671 1.00 20.59 0 B 2 +ATOM 2935 C CA . ALA B 1 166 ? 3.972 31.169 19.836 1.00 13.85 0 B 2 +ATOM 2936 C C . ALA B 1 166 ? 4.686 32.393 20.366 1.00 18.25 0 B 2 +ATOM 2937 O O . ALA B 1 166 ? 5.500 32.293 21.292 1.00 23.89 0 B 2 +ATOM 2938 C CB . ALA B 1 166 ? 3.954 30.089 20.885 1.00 16.69 0 B 2 +ATOM 2939 N N . PRO B 1 167 ? 4.400 33.569 19.790 1.00 22.86 0 B 2 +ATOM 2940 C CA . PRO B 1 167 ? 5.038 34.815 20.235 1.00 26.14 0 B 2 +ATOM 2941 C C . PRO B 1 167 ? 4.988 34.955 21.759 1.00 26.70 0 B 2 +ATOM 2942 O O . PRO B 1 167 ? 3.933 34.772 22.370 1.00 29.22 0 B 2 +ATOM 2943 C CB . PRO B 1 167 ? 4.193 35.899 19.551 1.00 21.52 0 B 2 +ATOM 2944 C CG . PRO B 1 167 ? 3.731 35.224 18.278 1.00 16.71 0 B 2 +ATOM 2945 C CD . PRO B 1 167 ? 3.354 33.835 18.776 1.00 18.57 0 B 2 +ATOM 2946 N N . GLY B 1 168 ? 6.144 35.207 22.367 1.00 25.24 0 B 2 +ATOM 2947 C CA . GLY B 1 168 ? 6.202 35.375 23.805 1.00 21.07 0 B 2 +ATOM 2948 C C . GLY B 1 168 ? 6.370 34.130 24.659 1.00 21.79 0 B 2 +ATOM 2949 O O . GLY B 1 168 ? 6.466 34.231 25.884 1.00 19.89 0 B 2 +ATOM 2950 N N . CYS B 1 169 ? 6.492 32.965 24.033 1.00 23.97 0 B 2 +ATOM 2951 C CA . CYS B 1 169 ? 6.668 31.716 24.779 1.00 24.34 0 B 2 +ATOM 2952 C C . CYS B 1 169 ? 7.935 31.743 25.644 1.00 22.77 0 B 2 +ATOM 2953 O O . CYS B 1 169 ? 8.128 30.898 26.516 1.00 31.69 0 B 2 +ATOM 2954 C CB . CYS B 1 169 ? 6.744 30.551 23.804 1.00 16.41 0 B 2 +ATOM 2955 S SG . CYS B 1 169 ? 7.998 30.829 22.588 1.00 17.08 0 B 2 +ATOM 2956 N N . LEU B 1 170 ? 8.804 32.713 25.398 1.00 24.39 0 B 2 +ATOM 2957 C CA . LEU B 1 170 ? 10.030 32.821 26.172 1.00 20.35 0 B 2 +ATOM 2958 C C . LEU B 1 170 ? 9.920 33.803 27.332 1.00 19.19 0 B 2 +ATOM 2959 O O . LEU B 1 170 ? 10.837 33.919 28.138 1.00 19.72 0 B 2 +ATOM 2960 C CB . LEU B 1 170 ? 11.189 33.192 25.259 1.00 17.15 0 B 2 +ATOM 2961 C CG . LEU B 1 170 ? 12.183 32.079 24.940 1.00 16.80 0 B 2 +ATOM 2962 C CD1 . LEU B 1 170 ? 11.502 30.752 24.734 1.00 10.63 0 B 2 +ATOM 2963 C CD2 . LEU B 1 170 ? 12.971 32.460 23.728 1.00 5.27 0 B 2 +ATOM 2964 N N . ASP B 1 171 ? 8.783 34.483 27.438 1.00 21.29 0 B 2 +ATOM 2965 C CA . ASP B 1 171 ? 8.574 35.448 28.519 1.00 24.45 0 B 2 +ATOM 2966 C C . ASP B 1 171 ? 8.707 34.815 29.899 1.00 23.44 0 B 2 +ATOM 2967 O O . ASP B 1 171 ? 9.242 35.432 30.816 1.00 20.90 0 B 2 +ATOM 2968 C CB . ASP B 1 171 ? 7.199 36.112 28.397 1.00 27.71 0 B 2 +ATOM 2969 C CG . ASP B 1 171 ? 7.102 37.050 27.207 1.00 28.64 0 B 2 +ATOM 2970 O OD1 . ASP B 1 171 ? 8.113 37.236 26.491 1.00 28.32 0 B 2 +ATOM 2971 O OD2 . ASP B 1 171 ? 5.999 37.601 26.985 1.00 31.45 0 B 2 +ATOM 2972 N N . ALA B 1 172 ? 8.237 33.582 30.033 1.00 24.48 0 B 2 +ATOM 2973 C CA . ALA B 1 172 ? 8.308 32.873 31.309 1.00 25.65 0 B 2 +ATOM 2974 C C . ALA B 1 172 ? 9.697 32.286 31.568 1.00 25.01 0 B 2 +ATOM 2975 O O . ALA B 1 172 ? 9.939 31.682 32.619 1.00 23.04 0 B 2 +ATOM 2976 C CB . ALA B 1 172 ? 7.262 31.776 31.350 1.00 30.50 0 B 2 +ATOM 2977 N N . PHE B 1 173 ? 10.617 32.496 30.630 1.00 26.18 0 B 2 +ATOM 2978 C CA . PHE B 1 173 ? 11.962 31.948 30.737 1.00 21.10 0 B 2 +ATOM 2979 C C . PHE B 1 173 ? 13.030 33.005 30.499 1.00 18.78 0 B 2 +ATOM 2980 O O . PHE B 1 173 ? 13.614 33.088 29.421 1.00 20.55 0 B 2 +ATOM 2981 C CB . PHE B 1 173 ? 12.110 30.800 29.742 1.00 21.10 0 B 2 +ATOM 2982 C CG . PHE B 1 173 ? 11.043 29.748 29.887 1.00 23.87 0 B 2 +ATOM 2983 C CD1 . PHE B 1 173 ? 11.038 28.896 30.998 1.00 18.46 0 B 2 +ATOM 2984 C CD2 . PHE B 1 173 ? 10.020 29.643 28.943 1.00 19.08 0 B 2 +ATOM 2985 C CE1 . PHE B 1 173 ? 10.038 27.962 31.170 1.00 14.23 0 B 2 +ATOM 2986 C CE2 . PHE B 1 173 ? 9.008 28.711 29.102 1.00 18.91 0 B 2 +ATOM 2987 C CZ . PHE B 1 173 ? 9.014 27.866 30.221 1.00 25.29 0 B 2 +ATOM 2988 N N . PRO B 1 174 ? 13.346 33.784 31.536 1.00 15.72 0 B 2 +ATOM 2989 C CA . PRO B 1 174 ? 14.341 34.856 31.501 1.00 16.41 0 B 2 +ATOM 2990 C C . PRO B 1 174 ? 15.720 34.444 30.987 1.00 19.36 0 B 2 +ATOM 2991 O O . PRO B 1 174 ? 16.333 35.162 30.185 1.00 21.01 0 B 2 +ATOM 2992 C CB . PRO B 1 174 ? 14.396 35.322 32.959 1.00 16.86 0 B 2 +ATOM 2993 C CG . PRO B 1 174 ? 13.885 34.126 33.738 1.00 16.59 0 B 2 +ATOM 2994 C CD . PRO B 1 174 ? 12.759 33.655 32.882 1.00 14.44 0 B 2 +ATOM 2995 N N . LEU B 1 175 ? 16.224 33.302 31.439 1.00 20.80 0 B 2 +ATOM 2996 C CA . LEU B 1 175 ? 17.527 32.846 30.981 1.00 21.32 0 B 2 +ATOM 2997 C C . LEU B 1 175 ? 17.506 32.579 29.467 1.00 18.16 0 B 2 +ATOM 2998 O O . LEU B 1 175 ? 18.360 33.078 28.740 1.00 13.77 0 B 2 +ATOM 2999 C CB . LEU B 1 175 ? 17.967 31.612 31.775 1.00 23.44 0 B 2 +ATOM 3000 C CG . LEU B 1 175 ? 18.789 31.827 33.058 1.00 21.58 0 B 2 +ATOM 3001 C CD1 . LEU B 1 175 ? 18.549 33.192 33.688 1.00 17.52 0 B 2 +ATOM 3002 C CD2 . LEU B 1 175 ? 18.498 30.712 34.038 1.00 13.25 0 B 2 +ATOM 3003 N N . LEU B 1 176 ? 16.464 31.904 28.991 1.00 17.16 0 B 2 +ATOM 3004 C CA . LEU B 1 176 ? 16.341 31.600 27.563 1.00 17.61 0 B 2 +ATOM 3005 C C . LEU B 1 176 ? 16.238 32.883 26.770 1.00 17.18 0 B 2 +ATOM 3006 O O . LEU B 1 176 ? 16.918 33.037 25.760 1.00 19.88 0 B 2 +ATOM 3007 C CB . LEU B 1 176 ? 15.118 30.713 27.281 1.00 15.69 0 B 2 +ATOM 3008 C CG . LEU B 1 176 ? 15.254 29.249 27.711 1.00 14.41 0 B 2 +ATOM 3009 C CD1 . LEU B 1 176 ? 13.960 28.469 27.424 1.00 11.72 0 B 2 +ATOM 3010 C CD2 . LEU B 1 176 ? 16.442 28.612 27.012 1.00 9.36 0 B 2 +ATOM 3011 N N . SER B 1 177 ? 15.388 33.797 27.228 1.00 15.10 0 B 2 +ATOM 3012 C CA . SER B 1 177 ? 15.203 35.085 26.569 1.00 16.57 0 B 2 +ATOM 3013 C C . SER B 1 177 ? 16.525 35.813 26.443 1.00 18.74 0 B 2 +ATOM 3014 O O . SER B 1 177 ? 16.914 36.205 25.341 1.00 20.73 0 B 2 +ATOM 3015 C CB . SER B 1 177 ? 14.215 35.957 27.346 1.00 16.00 0 B 2 +ATOM 3016 O OG . SER B 1 177 ? 12.921 35.369 27.359 1.00 20.33 0 B 2 +ATOM 3017 N N . ALA B 1 178 ? 17.239 35.961 27.554 1.00 11.58 0 B 2 +ATOM 3018 C CA . ALA B 1 178 ? 18.519 36.654 27.519 1.00 17.06 0 B 2 +ATOM 3019 C C . ALA B 1 178 ? 19.512 35.903 26.634 1.00 14.46 0 B 2 +ATOM 3020 O O . ALA B 1 178 ? 20.284 36.522 25.908 1.00 15.80 0 B 2 +ATOM 3021 C CB . ALA B 1 178 ? 19.071 36.838 28.913 1.00 10.21 0 B 2 +ATOM 3022 N N . TYR B 1 179 ? 19.432 34.577 26.654 1.00 16.71 0 B 2 +ATOM 3023 C CA . TYR B 1 179 ? 20.294 33.711 25.864 1.00 12.14 0 B 2 +ATOM 3024 C C . TYR B 1 179 ? 20.073 34.017 24.385 1.00 7.51 0 B 2 +ATOM 3025 O O . TYR B 1 179 ? 21.018 34.296 23.645 1.00 15.37 0 B 2 +ATOM 3026 C CB . TYR B 1 179 ? 19.963 32.245 26.198 1.00 11.62 0 B 2 +ATOM 3027 C CG . TYR B 1 179 ? 20.612 31.186 25.338 1.00 11.65 0 B 2 +ATOM 3028 C CD1 . TYR B 1 179 ? 21.866 30.647 25.674 1.00 13.48 0 B 2 +ATOM 3029 C CD2 . TYR B 1 179 ? 19.936 30.638 24.241 1.00 10.91 0 B 2 +ATOM 3030 C CE1 . TYR B 1 179 ? 22.419 29.584 24.934 1.00 19.05 0 B 2 +ATOM 3031 C CE2 . TYR B 1 179 ? 20.478 29.575 23.498 1.00 20.66 0 B 2 +ATOM 3032 C CZ . TYR B 1 179 ? 21.717 29.049 23.850 1.00 21.12 0 B 2 +ATOM 3033 O OH . TYR B 1 179 ? 22.235 27.966 23.160 1.00 18.52 0 B 2 +ATOM 3034 N N . VAL B 1 180 ? 18.823 34.013 23.953 1.00 12.90 0 B 2 +ATOM 3035 C CA . VAL B 1 180 ? 18.510 34.299 22.563 1.00 13.81 0 B 2 +ATOM 3036 C C . VAL B 1 180 ? 19.065 35.663 22.162 1.00 20.60 0 B 2 +ATOM 3037 O O . VAL B 1 180 ? 19.788 35.769 21.173 1.00 20.35 0 B 2 +ATOM 3038 C CB . VAL B 1 180 ? 16.997 34.247 22.303 1.00 15.30 0 B 2 +ATOM 3039 C CG1 . VAL B 1 180 ? 16.659 34.798 20.902 1.00 18.53 0 B 2 +ATOM 3040 C CG2 . VAL B 1 180 ? 16.521 32.817 22.427 1.00 16.63 0 B 2 +ATOM 3041 N N . GLY B 1 181 ? 18.767 36.693 22.951 1.00 18.58 0 B 2 +ATOM 3042 C CA . GLY B 1 181 ? 19.261 38.029 22.635 1.00 12.06 0 B 2 +ATOM 3043 C C . GLY B 1 181 ? 20.777 38.063 22.565 1.00 18.34 0 B 2 +ATOM 3044 O O . GLY B 1 181 ? 21.359 38.506 21.574 1.00 22.58 0 B 2 +ATOM 3045 N N . ARG B 1 182 ? 21.421 37.517 23.584 1.00 16.53 0 B 2 +ATOM 3046 C CA . ARG B 1 182 ? 22.872 37.501 23.656 1.00 22.44 0 B 2 +ATOM 3047 C C . ARG B 1 182 ? 23.493 36.843 22.426 1.00 25.73 0 B 2 +ATOM 3048 O O . ARG B 1 182 ? 24.330 37.444 21.742 1.00 27.11 0 B 2 +ATOM 3049 C CB . ARG B 1 182 ? 23.303 36.758 24.912 1.00 19.69 0 B 2 +ATOM 3050 C CG . ARG B 1 182 ? 24.777 36.826 25.223 1.00 21.09 0 B 2 +ATOM 3051 C CD . ARG B 1 182 ? 25.131 35.760 26.252 1.00 22.39 0 B 2 +ATOM 3052 N NE . ARG B 1 182 ? 24.281 35.871 27.419 1.00 22.10 0 B 2 +ATOM 3053 C CZ . ARG B 1 182 ? 23.608 34.870 27.968 1.00 22.91 0 B 2 +ATOM 3054 N NH1 . ARG B 1 182 ? 23.690 33.638 27.474 1.00 16.66 0 B 2 +ATOM 3055 N NH2 . ARG B 1 182 ? 22.789 35.126 28.976 1.00 29.17 0 B 2 +ATOM 3056 N N . LEU B 1 183 ? 23.064 35.619 22.130 1.00 26.25 0 B 2 +ATOM 3057 C CA . LEU B 1 183 ? 23.605 34.904 20.984 1.00 22.67 0 B 2 +ATOM 3058 C C . LEU B 1 183 ? 23.300 35.631 19.680 1.00 18.30 0 B 2 +ATOM 3059 O O . LEU B 1 183 ? 24.168 35.781 18.809 1.00 13.93 0 B 2 +ATOM 3060 C CB . LEU B 1 183 ? 23.053 33.481 20.946 1.00 22.19 0 B 2 +ATOM 3061 C CG . LEU B 1 183 ? 23.669 32.509 21.946 1.00 22.41 0 B 2 +ATOM 3062 C CD1 . LEU B 1 183 ? 23.224 31.093 21.603 1.00 20.64 0 B 2 +ATOM 3063 C CD2 . LEU B 1 183 ? 25.178 32.588 21.847 1.00 19.56 0 B 2 +ATOM 3064 N N . SER B 1 184 ? 22.072 36.107 19.567 1.00 19.36 0 B 2 +ATOM 3065 C CA . SER B 1 184 ? 21.641 36.829 18.381 1.00 20.42 0 B 2 +ATOM 3066 C C . SER B 1 184 ? 22.456 38.104 18.171 1.00 20.33 0 B 2 +ATOM 3067 O O . SER B 1 184 ? 22.525 38.631 17.052 1.00 12.83 0 B 2 +ATOM 3068 C CB . SER B 1 184 ? 20.161 37.168 18.513 1.00 15.74 0 B 2 +ATOM 3069 O OG . SER B 1 184 ? 19.415 35.974 18.651 1.00 16.70 0 B 2 +ATOM 3070 N N . ALA B 1 185 ? 23.063 38.596 19.248 1.00 18.29 0 B 2 +ATOM 3071 C CA . ALA B 1 185 ? 23.863 39.811 19.186 1.00 23.43 0 B 2 +ATOM 3072 C C . ALA B 1 185 ? 25.294 39.585 18.697 1.00 26.18 0 B 2 +ATOM 3073 O O . ALA B 1 185 ? 25.993 40.546 18.346 1.00 24.92 0 B 2 +ATOM 3074 C CB . ALA B 1 185 ? 23.862 40.510 20.542 1.00 20.43 0 B 2 +ATOM 3075 N N . ARG B 1 186 ? 25.742 38.333 18.676 1.00 26.18 0 B 2 +ATOM 3076 C CA . ARG B 1 186 ? 27.095 38.042 18.204 1.00 26.64 0 B 2 +ATOM 3077 C C . ARG B 1 186 ? 27.238 38.612 16.785 1.00 28.41 0 B 2 +ATOM 3078 O O . ARG B 1 186 ? 26.524 38.207 15.865 1.00 30.13 0 B 2 +ATOM 3079 C CB . ARG B 1 186 ? 27.354 36.537 18.250 1.00 23.40 0 B 2 +ATOM 3080 C CG . ARG B 1 186 ? 27.354 35.993 19.670 1.00 18.60 0 B 2 +ATOM 3081 C CD . ARG B 1 186 ? 27.254 34.483 19.700 1.00 20.48 0 B 2 +ATOM 3082 N NE . ARG B 1 186 ? 28.424 33.805 19.145 1.00 25.07 0 B 2 +ATOM 3083 C CZ . ARG B 1 186 ? 29.484 33.416 19.848 1.00 26.64 0 B 2 +ATOM 3084 N NH1 . ARG B 1 186 ? 29.580 33.698 21.139 1.00 19.44 0 B 2 +ATOM 3085 N NH2 . ARG B 1 186 ? 30.482 32.785 19.244 1.00 23.60 0 B 2 +ATOM 3086 N N . PRO B 1 187 ? 28.192 39.535 16.588 1.00 30.59 0 B 2 +ATOM 3087 C CA . PRO B 1 187 ? 28.465 40.207 15.312 1.00 26.44 0 B 2 +ATOM 3088 C C . PRO B 1 187 ? 28.187 39.438 14.018 1.00 21.46 0 B 2 +ATOM 3089 O O . PRO B 1 187 ? 27.262 39.780 13.291 1.00 24.71 0 B 2 +ATOM 3090 C CB . PRO B 1 187 ? 29.930 40.616 15.454 1.00 30.16 0 B 2 +ATOM 3091 C CG . PRO B 1 187 ? 30.019 40.962 16.893 1.00 27.07 0 B 2 +ATOM 3092 C CD . PRO B 1 187 ? 29.272 39.810 17.554 1.00 28.27 0 B 2 +ATOM 3093 N N . LYS B 1 188 ? 28.964 38.396 13.747 1.00 21.60 0 B 2 +ATOM 3094 C CA . LYS B 1 188 ? 28.798 37.609 12.529 1.00 18.43 0 B 2 +ATOM 3095 C C . LYS B 1 188 ? 27.421 36.983 12.428 1.00 18.26 0 B 2 +ATOM 3096 O O . LYS B 1 188 ? 26.824 36.975 11.345 1.00 20.91 0 B 2 +ATOM 3097 C CB . LYS B 1 188 ? 29.874 36.534 12.426 1.00 18.51 0 B 2 +ATOM 3098 C CG . LYS B 1 188 ? 31.272 37.105 12.223 1.00 24.79 0 B 2 +ATOM 3099 C CD . LYS B 1 188 ? 32.341 36.019 12.087 1.00 29.19 0 B 2 +ATOM 3100 C CE . LYS B 1 188 ? 33.746 36.613 12.227 1.00 30.22 0 B 2 +ATOM 3101 N NZ . LYS B 1 188 ? 34.037 37.633 11.184 1.00 37.51 0 B 2 +ATOM 3102 N N . LEU B 1 189 ? 26.889 36.519 13.558 1.00 21.29 0 B 2 +ATOM 3103 C CA . LEU B 1 189 ? 25.562 35.898 13.594 1.00 18.96 0 B 2 +ATOM 3104 C C . LEU B 1 189 ? 24.491 36.936 13.298 1.00 17.64 0 B 2 +ATOM 3105 O O . LEU B 1 189 ? 23.609 36.700 12.471 1.00 21.16 0 B 2 +ATOM 3106 C CB . LEU B 1 189 ? 25.268 35.271 14.964 1.00 20.25 0 B 2 +ATOM 3107 C CG . LEU B 1 189 ? 24.724 33.833 14.947 1.00 20.25 0 B 2 +ATOM 3108 C CD1 . LEU B 1 189 ? 24.113 33.511 16.295 1.00 16.53 0 B 2 +ATOM 3109 C CD2 . LEU B 1 189 ? 23.703 33.634 13.835 1.00 14.65 0 B 2 +ATOM 3110 N N . LYS B 1 190 ? 24.587 38.084 13.964 1.00 14.01 0 B 2 +ATOM 3111 C CA . LYS B 1 190 ? 23.633 39.178 13.799 1.00 16.31 0 B 2 +ATOM 3112 C C . LYS B 1 190 ? 23.533 39.539 12.326 1.00 14.21 0 B 2 +ATOM 3113 O O . LYS B 1 190 ? 22.449 39.499 11.738 1.00 17.24 0 B 2 +ATOM 3114 C CB . LYS B 1 190 ? 24.088 40.396 14.605 1.00 22.64 0 B 2 +ATOM 3115 C CG . LYS B 1 190 ? 23.135 41.580 14.579 1.00 23.47 0 B 2 +ATOM 3116 C CD . LYS B 1 190 ? 23.607 42.635 15.565 1.00 31.13 0 B 2 +ATOM 3117 C CE . LYS B 1 190 ? 22.800 43.911 15.462 1.00 33.37 0 B 2 +ATOM 3118 N NZ . LYS B 1 190 ? 23.175 44.895 16.517 1.00 40.48 0 B 2 +ATOM 3119 N N . ALA B 1 191 ? 24.676 39.824 11.714 1.00 15.99 0 B 2 +ATOM 3120 C CA . ALA B 1 191 ? 24.720 40.178 10.301 1.00 18.03 0 B 2 +ATOM 3121 C C . ALA B 1 191 ? 24.076 39.076 9.451 1.00 20.66 0 B 2 +ATOM 3122 O O . ALA B 1 191 ? 23.297 39.368 8.542 1.00 26.50 0 B 2 +ATOM 3123 C CB . ALA B 1 191 ? 26.157 40.426 9.865 1.00 14.30 0 B 2 +ATOM 3124 N N . PHE B 1 192 ? 24.353 37.816 9.771 1.00 22.15 0 B 2 +ATOM 3125 C CA . PHE B 1 192 ? 23.784 36.708 9.013 1.00 14.39 0 B 2 +ATOM 3126 C C . PHE B 1 192 ? 22.284 36.690 9.173 1.00 11.67 0 B 2 +ATOM 3127 O O . PHE B 1 192 ? 21.540 36.674 8.200 1.00 19.68 0 B 2 +ATOM 3128 C CB . PHE B 1 192 ? 24.348 35.371 9.500 1.00 19.55 0 B 2 +ATOM 3129 C CG . PHE B 1 192 ? 23.697 34.172 8.852 1.00 19.45 0 B 2 +ATOM 3130 C CD1 . PHE B 1 192 ? 23.866 33.919 7.491 1.00 15.14 0 B 2 +ATOM 3131 C CD2 . PHE B 1 192 ? 22.919 33.295 9.607 1.00 17.19 0 B 2 +ATOM 3132 C CE1 . PHE B 1 192 ? 23.270 32.817 6.891 1.00 12.58 0 B 2 +ATOM 3133 C CE2 . PHE B 1 192 ? 22.316 32.186 9.013 1.00 14.15 0 B 2 +ATOM 3134 C CZ . PHE B 1 192 ? 22.495 31.944 7.650 1.00 12.14 0 B 2 +ATOM 3135 N N . LEU B 1 193 ? 21.834 36.745 10.413 1.00 13.49 0 B 2 +ATOM 3136 C CA . LEU B 1 193 ? 20.407 36.690 10.692 1.00 15.50 0 B 2 +ATOM 3137 C C . LEU B 1 193 ? 19.623 37.808 10.042 1.00 19.11 0 B 2 +ATOM 3138 O O . LEU B 1 193 ? 18.421 37.668 9.795 1.00 24.51 0 B 2 +ATOM 3139 C CB . LEU B 1 193 ? 20.166 36.714 12.196 1.00 12.08 0 B 2 +ATOM 3140 C CG . LEU B 1 193 ? 20.586 35.448 12.927 1.00 15.18 0 B 2 +ATOM 3141 C CD1 . LEU B 1 193 ? 20.542 35.684 14.433 1.00 8.36 0 B 2 +ATOM 3142 C CD2 . LEU B 1 193 ? 19.680 34.295 12.508 1.00 6.63 0 B 2 +ATOM 3143 N N . ALA B 1 194 ? 20.285 38.935 9.831 1.00 18.65 0 B 2 +ATOM 3144 C CA . ALA B 1 194 ? 19.635 40.075 9.225 1.00 19.38 0 B 2 +ATOM 3145 C C . ALA B 1 194 ? 19.770 40.047 7.707 1.00 19.83 0 B 2 +ATOM 3146 O O . ALA B 1 194 ? 19.070 40.777 7.003 1.00 23.33 0 B 2 +ATOM 3147 C CB . ALA B 1 194 ? 20.215 41.363 9.806 1.00 15.24 0 B 2 +ATOM 3148 N N . SER B 1 195 ? 20.623 39.167 7.195 1.00 21.13 0 B 2 +ATOM 3149 C CA . SER B 1 195 ? 20.852 39.094 5.757 1.00 17.90 0 B 2 +ATOM 3150 C C . SER B 1 195 ? 19.694 38.461 4.995 1.00 23.92 0 B 2 +ATOM 3151 O O . SER B 1 195 ? 18.961 37.612 5.532 1.00 22.17 0 B 2 +ATOM 3152 C CB . SER B 1 195 ? 22.152 38.344 5.457 1.00 15.47 0 B 2 +ATOM 3153 O OG . SER B 1 195 ? 21.954 36.937 5.484 1.00 21.25 0 B 2 +ATOM 3154 N N . PRO B 1 196 ? 19.515 38.866 3.715 1.00 25.26 0 B 2 +ATOM 3155 C CA . PRO B 1 196 ? 18.454 38.364 2.827 1.00 23.00 0 B 2 +ATOM 3156 C C . PRO B 1 196 ? 18.534 36.855 2.675 1.00 21.73 0 B 2 +ATOM 3157 O O . PRO B 1 196 ? 17.516 36.188 2.501 1.00 18.53 0 B 2 +ATOM 3158 C CB . PRO B 1 196 ? 18.771 39.049 1.497 1.00 24.29 0 B 2 +ATOM 3159 C CG . PRO B 1 196 ? 19.422 40.325 1.919 1.00 20.55 0 B 2 +ATOM 3160 C CD . PRO B 1 196 ? 20.329 39.892 3.031 1.00 15.32 0 B 2 +ATOM 3161 N N . GLU B 1 197 ? 19.761 36.350 2.741 1.00 20.96 0 B 2 +ATOM 3162 C CA . GLU B 1 197 ? 20.090 34.936 2.630 1.00 22.86 0 B 2 +ATOM 3163 C C . GLU B 1 197 ? 19.332 34.101 3.674 1.00 26.46 0 B 2 +ATOM 3164 O O . GLU B 1 197 ? 19.004 32.934 3.446 1.00 21.00 0 B 2 +ATOM 3165 C CB . GLU B 1 197 ? 21.582 34.806 2.862 1.00 26.21 0 B 2 +ATOM 3166 C CG . GLU B 1 197 ? 22.156 33.480 2.549 1.00 28.84 0 B 2 +ATOM 3167 C CD . GLU B 1 197 ? 23.632 33.458 2.813 1.00 25.99 0 B 2 +ATOM 3168 O OE1 . GLU B 1 197 ? 24.301 34.469 2.509 1.00 25.70 0 B 2 +ATOM 3169 O OE2 . GLU B 1 197 ? 24.117 32.429 3.323 1.00 29.94 0 B 2 +ATOM 3170 N N . TYR B 1 198 ? 19.077 34.710 4.827 1.00 27.33 0 B 2 +ATOM 3171 C CA . TYR B 1 198 ? 18.348 34.064 5.904 1.00 19.34 0 B 2 +ATOM 3172 C C . TYR B 1 198 ? 16.914 34.589 5.932 1.00 20.19 0 B 2 +ATOM 3173 O O . TYR B 1 198 ? 15.951 33.828 5.813 1.00 20.35 0 B 2 +ATOM 3174 C CB . TYR B 1 198 ? 19.024 34.371 7.245 1.00 15.45 0 B 2 +ATOM 3175 C CG . TYR B 1 198 ? 18.259 33.890 8.454 1.00 12.17 0 B 2 +ATOM 3176 C CD1 . TYR B 1 198 ? 18.409 32.597 8.922 1.00 9.87 0 B 2 +ATOM 3177 C CD2 . TYR B 1 198 ? 17.384 34.735 9.135 1.00 15.82 0 B 2 +ATOM 3178 C CE1 . TYR B 1 198 ? 17.715 32.141 10.031 1.00 12.46 0 B 2 +ATOM 3179 C CE2 . TYR B 1 198 ? 16.680 34.288 10.258 1.00 21.35 0 B 2 +ATOM 3180 C CZ . TYR B 1 198 ? 16.854 32.985 10.693 1.00 17.33 0 B 2 +ATOM 3181 O OH . TYR B 1 198 ? 16.155 32.514 11.781 1.00 19.87 0 B 2 +ATOM 3182 N N . VAL B 1 199 ? 16.790 35.902 6.068 1.00 19.14 0 B 2 +ATOM 3183 C CA . VAL B 1 199 ? 15.500 36.571 6.150 1.00 19.10 0 B 2 +ATOM 3184 C C . VAL B 1 199 ? 14.498 36.254 5.051 1.00 17.68 0 B 2 +ATOM 3185 O O . VAL B 1 199 ? 13.307 36.154 5.303 1.00 18.04 0 B 2 +ATOM 3186 C CB . VAL B 1 199 ? 15.677 38.113 6.229 1.00 20.97 0 B 2 +ATOM 3187 C CG1 . VAL B 1 199 ? 14.321 38.805 6.211 1.00 20.99 0 B 2 +ATOM 3188 C CG2 . VAL B 1 199 ? 16.428 38.511 7.480 1.00 17.13 0 B 2 +ATOM 3189 N N . ASN B 1 200 ? 14.966 36.102 3.826 1.00 21.55 0 B 2 +ATOM 3190 C CA . ASN B 1 200 ? 14.039 35.841 2.741 1.00 25.18 0 B 2 +ATOM 3191 C C . ASN B 1 200 ? 13.700 34.379 2.477 1.00 24.64 0 B 2 +ATOM 3192 O O . ASN B 1 200 ? 13.071 34.038 1.470 1.00 25.69 0 B 2 +ATOM 3193 C CB . ASN B 1 200 ? 14.494 36.583 1.483 1.00 24.45 0 B 2 +ATOM 3194 C CG . ASN B 1 200 ? 14.482 38.083 1.673 1.00 27.13 0 B 2 +ATOM 3195 N ND2 . ASN B 1 200 ? 15.410 38.779 1.036 1.00 28.21 0 B 2 +ATOM 3196 O OD1 . ASN B 1 200 ? 13.668 38.605 2.437 1.00 23.60 0 B 2 +ATOM 3197 N N . LEU B 1 201 ? 14.100 33.510 3.394 1.00 20.73 0 B 2 +ATOM 3198 C CA . LEU B 1 201 ? 13.821 32.092 3.271 1.00 15.96 0 B 2 +ATOM 3199 C C . LEU B 1 201 ? 12.687 31.771 4.228 1.00 19.98 0 B 2 +ATOM 3200 O O . LEU B 1 201 ? 12.683 32.238 5.367 1.00 25.50 0 B 2 +ATOM 3201 C CB . LEU B 1 201 ? 15.055 31.299 3.682 1.00 15.95 0 B 2 +ATOM 3202 C CG . LEU B 1 201 ? 15.633 30.325 2.665 1.00 18.38 0 B 2 +ATOM 3203 C CD1 . LEU B 1 201 ? 15.924 31.028 1.343 1.00 16.86 0 B 2 +ATOM 3204 C CD2 . LEU B 1 201 ? 16.892 29.696 3.232 1.00 12.46 0 B 2 +ATOM 3205 N N . PRO B 1 202 ? 11.658 31.042 3.758 1.00 18.50 0 B 2 +ATOM 3206 C CA . PRO B 1 202 ? 10.585 30.729 4.707 1.00 15.12 0 B 2 +ATOM 3207 C C . PRO B 1 202 ? 11.149 29.710 5.710 1.00 15.58 0 B 2 +ATOM 3208 O O . PRO B 1 202 ? 12.078 28.957 5.398 1.00 16.38 0 B 2 +ATOM 3209 C CB . PRO B 1 202 ? 9.518 30.101 3.808 1.00 14.29 0 B 2 +ATOM 3210 C CG . PRO B 1 202 ? 10.325 29.430 2.741 1.00 16.63 0 B 2 +ATOM 3211 C CD . PRO B 1 202 ? 11.392 30.463 2.433 1.00 16.20 0 B 2 +ATOM 3212 N N . ILE B 1 203 ? 10.606 29.701 6.922 1.00 14.53 0 B 2 +ATOM 3213 C CA . ILE B 1 203 ? 11.076 28.782 7.943 1.00 18.40 0 B 2 +ATOM 3214 C C . ILE B 1 203 ? 10.831 27.346 7.516 1.00 23.26 0 B 2 +ATOM 3215 O O . ILE B 1 203 ? 11.730 26.496 7.606 1.00 23.19 0 B 2 +ATOM 3216 C CB . ILE B 1 203 ? 10.385 29.049 9.287 1.00 12.52 0 B 2 +ATOM 3217 C CG1 . ILE B 1 203 ? 10.782 30.436 9.785 1.00 13.41 0 B 2 +ATOM 3218 C CG2 . ILE B 1 203 ? 10.775 27.980 10.288 1.00 10.56 0 B 2 +ATOM 3219 C CD1 . ILE B 1 203 ? 10.073 30.882 11.058 1.00 12.66 0 B 2 +ATOM 3220 N N . ASN B 1 204 ? 9.624 27.090 7.023 1.00 26.24 0 B 2 +ATOM 3221 C CA . ASN B 1 204 ? 9.225 25.770 6.568 1.00 19.80 0 B 2 +ATOM 3222 C C . ASN B 1 204 ? 8.805 25.805 5.097 1.00 21.93 0 B 2 +ATOM 3223 O O . ASN B 1 204 ? 8.604 26.865 4.507 1.00 22.04 0 B 2 +ATOM 3224 C CB . ASN B 1 204 ? 8.078 25.233 7.435 1.00 18.30 0 B 2 +ATOM 3225 C CG . ASN B 1 204 ? 8.414 25.234 8.901 1.00 14.35 0 B 2 +ATOM 3226 N ND2 . ASN B 1 204 ? 9.451 24.492 9.274 1.00 7.66 0 B 2 +ATOM 3227 O OD1 . ASN B 1 204 ? 7.771 25.915 9.697 1.00 21.92 0 B 2 +ATOM 3228 N N . GLY B 1 205 ? 8.685 24.622 4.516 1.00 26.54 0 B 2 +ATOM 3229 C CA . GLY B 1 205 ? 8.304 24.502 3.120 1.00 24.22 0 B 2 +ATOM 3230 C C . GLY B 1 205 ? 6.816 24.509 2.810 1.00 26.89 0 B 2 +ATOM 3231 O O . GLY B 1 205 ? 6.438 24.524 1.640 1.00 27.16 0 B 2 +ATOM 3232 N N . ASN B 1 206 ? 5.952 24.449 3.817 1.00 23.46 0 B 2 +ATOM 3233 C CA . ASN B 1 206 ? 4.528 24.462 3.522 1.00 25.80 0 B 2 +ATOM 3234 C C . ASN B 1 206 ? 3.898 25.822 3.817 1.00 28.61 0 B 2 +ATOM 3235 O O . ASN B 1 206 ? 2.678 25.980 3.774 1.00 25.95 0 B 2 +ATOM 3236 C CB . ASN B 1 206 ? 3.793 23.350 4.273 1.00 24.67 0 B 2 +ATOM 3237 C CG . ASN B 1 206 ? 3.733 23.594 5.757 1.00 28.71 0 B 2 +ATOM 3238 N ND2 . ASN B 1 206 ? 2.868 22.856 6.451 1.00 24.47 0 B 2 +ATOM 3239 O OD1 . ASN B 1 206 ? 4.471 24.439 6.283 1.00 27.42 0 B 2 +ATOM 3240 N N . GLY B 1 207 ? 4.734 26.801 4.136 1.00 33.24 0 B 2 +ATOM 3241 C CA . GLY B 1 207 ? 4.220 28.125 4.416 1.00 36.25 0 B 2 +ATOM 3242 C C . GLY B 1 207 ? 3.617 28.300 5.798 1.00 34.91 0 B 2 +ATOM 3243 O O . GLY B 1 207 ? 3.030 29.343 6.076 1.00 38.54 0 B 2 +ATOM 3244 N N . LYS B 1 208 ? 3.750 27.297 6.661 1.00 28.00 0 B 2 +ATOM 3245 C CA . LYS B 1 208 ? 3.220 27.397 8.012 1.00 23.51 0 B 2 +ATOM 3246 C C . LYS B 1 208 ? 4.384 27.631 8.964 1.00 24.82 0 B 2 +ATOM 3247 O O . LYS B 1 208 ? 5.484 27.139 8.732 1.00 26.76 0 B 2 +ATOM 3248 C CB . LYS B 1 208 ? 2.445 26.136 8.369 1.00 25.92 0 B 2 +ATOM 3249 C CG . LYS B 1 208 ? 1.196 25.946 7.518 1.00 30.95 0 B 2 +ATOM 3250 C CD . LYS B 1 208 ? 0.414 24.672 7.877 1.00 34.64 0 B 2 +ATOM 3251 C CE . LYS B 1 208 ? -0.960 24.634 7.186 1.00 35.28 0 B 2 +ATOM 3252 N NZ . LYS B 1 208 ? -1.688 23.358 7.440 1.00 28.67 0 B 2 +ATOM 3253 N N . GLN B 1 209 ? 4.160 28.447 9.988 1.00 24.80 0 B 2 +ATOM 3254 C CA . GLN B 1 209 ? 5.191 28.776 10.963 1.00 22.99 0 B 2 +ATOM 3255 C C . GLN B 1 209 ? 4.507 29.303 12.225 1.00 24.33 0 B 2 +ATOM 3256 O O . GLN B 1 209 ? 5.222 29.649 13.185 1.00 24.66 0 B 2 +ATOM 3257 C CB . GLN B 1 209 ? 6.111 29.861 10.402 1.00 21.13 0 B 2 +ATOM 3258 C CG . GLN B 1 209 ? 5.364 31.102 9.952 1.00 21.64 0 B 2 +ATOM 3259 C CD . GLN B 1 209 ? 6.274 32.270 9.702 1.00 23.83 0 B 2 +ATOM 3260 N NE2 . GLN B 1 209 ? 5.857 33.437 10.160 1.00 29.73 0 B 2 +ATOM 3261 O OE1 . GLN B 1 209 ? 7.347 32.132 9.120 1.00 34.40 0 B 2 +ATOM 3262 O OXT . GLN B 1 209 ? 3.255 29.390 12.227 1.00 27.65 0 B 2 +HETATM 3522 C CA1 . GSH C 2 210 ? 14.620 9.944 24.471 1.00 12.24 0 A 2 +HETATM 3523 C CA2 . GSH C 2 210 ? 9.972 6.870 27.416 1.00 32.10 0 A 2 +HETATM 3524 C CA3 . GSH C 2 210 ? 7.382 7.690 30.058 1.00 35.56 0 A 2 +HETATM 3525 C CB1 . GSH C 2 210 ? 13.269 9.240 24.530 1.00 19.73 0 A 2 +HETATM 3526 C CB2 . GSH C 2 210 ? 10.203 5.355 27.553 1.00 27.26 0 A 2 +HETATM 3527 C CG1 . GSH C 2 210 ? 12.953 8.661 25.906 1.00 25.96 0 A 2 +HETATM 3528 S SG2 . GSH C 2 210 ? 11.445 4.702 26.376 1.00 43.56 0 A 2 +HETATM 3529 C CD1 . GSH C 2 210 ? 11.578 8.022 25.987 1.00 30.29 0 A 2 +HETATM 3530 O OE1 . GSH C 2 210 ? 10.797 8.038 25.025 1.00 26.53 0 A 2 +HETATM 3531 C C1 . GSH C 2 210 ? 15.748 8.912 24.456 1.00 15.73 0 A 2 +HETATM 3532 N N1 . GSH C 2 210 ? 14.709 10.782 23.252 1.00 12.57 0 A 2 +HETATM 3533 C C2 . GSH C 2 210 ? 9.367 7.393 28.719 1.00 28.29 0 A 2 +HETATM 3534 N N2 . GSH C 2 210 ? 11.247 7.534 27.175 1.00 29.63 0 A 2 +HETATM 3535 O O2 . GSH C 2 210 ? 10.085 7.888 29.591 1.00 18.94 0 A 2 +HETATM 3536 C C3 . GSH C 2 210 ? 6.900 9.118 30.069 1.00 41.30 0 A 2 +HETATM 3537 N N3 . GSH C 2 210 ? 8.051 7.277 28.838 1.00 32.79 0 A 2 +HETATM 3538 O O11 . GSH C 2 210 ? 16.085 8.401 25.541 1.00 14.21 0 A 2 +HETATM 3539 O O12 . GSH C 2 210 ? 16.313 8.642 23.367 1.00 18.12 0 A 2 +HETATM 3540 O O31 . GSH C 2 210 ? 6.006 9.422 30.887 1.00 43.58 0 A 2 +HETATM 3541 O O32 . GSH C 2 210 ? 7.395 9.927 29.254 1.00 45.39 0 A 2 +HETATM 3542 O O . EAA D 3 211 ? 4.749 -0.572 30.486 0.60 58.18 0 A 2 +HETATM 3543 CL CL1 . EAA D 3 211 ? 7.876 1.145 28.984 0.60 47.50 0 A 2 +HETATM 3544 CL CL2 . EAA D 3 211 ? 9.523 2.135 26.645 0.60 47.26 0 A 2 +HETATM 3545 O OXT . EAA D 3 211 ? 2.804 0.354 30.925 0.60 58.96 0 A 2 +HETATM 3546 C C1 . EAA D 3 211 ? 5.792 2.737 28.081 0.60 44.16 0 A 2 +HETATM 3547 O O1 . EAA D 3 211 ? 7.585 5.197 23.931 0.60 29.23 0 A 2 +HETATM 3548 C C2 . EAA D 3 211 ? 7.126 2.310 27.876 0.60 42.93 0 A 2 +HETATM 3549 O O2 . EAA D 3 211 ? 5.105 2.179 29.165 0.60 48.44 0 A 2 +HETATM 3550 C C3 . EAA D 3 211 ? 7.888 2.804 26.805 0.60 40.98 0 A 2 +HETATM 3551 C C4 . EAA D 3 211 ? 7.323 3.776 25.899 0.60 39.07 0 A 2 +HETATM 3552 C C5 . EAA D 3 211 ? 5.988 4.198 26.130 0.60 39.84 0 A 2 +HETATM 3553 C C6 . EAA D 3 211 ? 5.243 3.689 27.199 0.60 40.30 0 A 2 +HETATM 3554 C C7 . EAA D 3 211 ? 8.095 4.372 24.703 0.60 35.56 0 A 2 +HETATM 3555 C C8 . EAA D 3 211 ? 9.610 3.985 24.411 0.60 33.23 0 A 2 +HETATM 3556 C C9 . EAA D 3 211 ? 9.877 3.313 23.052 0.60 38.08 0 A 2 +HETATM 3557 C C10 . EAA D 3 211 ? 11.186 2.516 22.922 0.60 27.69 0 A 2 +HETATM 3558 C C11 . EAA D 3 211 ? 10.673 5.025 24.773 0.60 37.58 0 A 2 +HETATM 3559 C C12 . EAA D 3 211 ? 4.021 1.197 29.035 0.60 52.14 0 A 2 +HETATM 3560 C C13 . EAA D 3 211 ? 3.853 0.273 30.243 0.60 56.88 0 A 2 +HETATM 3561 O O1 . MES E 4 212 ? 22.491 -6.351 35.913 1.00 38.43 0 A 2 +HETATM 3562 O O1S . MES E 4 212 ? 28.182 -8.205 31.032 1.00 51.85 0 A 2 +HETATM 3563 C C2 . MES E 4 212 ? 23.092 -5.558 34.837 1.00 35.66 0 A 2 +HETATM 3564 O O2S . MES E 4 212 ? 26.793 -10.400 31.060 1.00 41.86 0 A 2 +HETATM 3565 C C3 . MES E 4 212 ? 24.418 -6.194 34.354 1.00 39.12 0 A 2 +HETATM 3566 O O3S . MES E 4 212 ? 28.166 -9.663 33.185 1.00 48.20 0 A 2 +HETATM 3567 N N4 . MES E 4 212 ? 24.414 -7.735 34.545 1.00 40.51 0 A 2 +HETATM 3568 C C5 . MES E 4 212 ? 24.120 -8.179 36.004 1.00 33.84 0 A 2 +HETATM 3569 C C6 . MES E 4 212 ? 23.423 -7.046 36.787 1.00 32.09 0 A 2 +HETATM 3570 C C7 . MES E 4 212 ? 25.704 -8.356 34.000 1.00 36.92 0 A 2 +HETATM 3571 C C8 . MES E 4 212 ? 25.832 -8.227 32.481 1.00 39.29 0 A 2 +HETATM 3572 S S . MES E 4 212 ? 27.244 -9.136 31.902 1.00 36.44 0 A 2 +HETATM 3573 C CA1 . GSH F 2 210 ? 17.016 13.766 8.687 1.00 27.78 0 B 2 +HETATM 3574 C CA2 . GSH F 2 210 ? 13.153 16.100 4.329 1.00 35.43 0 B 2 +HETATM 3575 C CA3 . GSH F 2 210 ? 11.681 15.208 0.956 1.00 37.17 0 B 2 +HETATM 3576 C CB1 . GSH F 2 210 ? 15.663 14.035 8.036 1.00 30.83 0 B 2 +HETATM 3577 C CB2 . GSH F 2 210 ? 13.210 17.638 4.378 1.00 37.50 0 B 2 +HETATM 3578 C CG1 . GSH F 2 210 ? 15.723 14.530 6.613 1.00 27.74 0 B 2 +HETATM 3579 S SG2 . GSH F 2 210 ? 13.842 18.313 5.964 1.00 50.07 0 B 2 +HETATM 3580 C CD1 . GSH F 2 210 ? 14.385 15.062 6.152 1.00 30.97 0 B 2 +HETATM 3581 O OE1 . GSH F 2 210 ? 13.383 15.046 6.890 1.00 30.76 0 B 2 +HETATM 3582 C C1 . GSH F 2 210 ? 17.702 15.074 9.065 1.00 25.57 0 B 2 +HETATM 3583 N N1 . GSH F 2 210 ? 16.817 13.058 9.981 1.00 30.95 0 B 2 +HETATM 3584 C C2 . GSH F 2 210 ? 13.078 15.643 2.872 1.00 35.80 0 B 2 +HETATM 3585 N N2 . GSH F 2 210 ? 14.363 15.547 4.921 1.00 30.15 0 B 2 +HETATM 3586 O O2 . GSH F 2 210 ? 14.104 15.356 2.242 1.00 31.37 0 B 2 +HETATM 3587 C C3 . GSH F 2 210 ? 11.415 13.728 0.825 1.00 37.28 0 B 2 +HETATM 3588 N N3 . GSH F 2 210 ? 11.866 15.612 2.332 1.00 36.05 0 B 2 +HETATM 3589 O O11 . GSH F 2 210 ? 18.355 15.695 8.199 1.00 19.48 0 B 2 +HETATM 3590 O O12 . GSH F 2 210 ? 17.604 15.432 10.262 1.00 16.84 0 B 2 +HETATM 3591 O O31 . GSH F 2 210 ? 10.728 13.339 -0.140 1.00 40.02 0 B 2 +HETATM 3592 O O32 . GSH F 2 210 ? 11.876 12.962 1.694 1.00 37.63 0 B 2 +HETATM 3593 O O . EAA G 3 211 ? 7.914 22.960 -0.411 0.58 59.62 0 B 2 +HETATM 3594 CL CL1 . EAA G 3 211 ? 10.789 21.527 1.907 0.58 35.87 0 B 2 +HETATM 3595 CL CL2 . EAA G 3 211 ? 11.762 20.809 4.764 0.58 40.28 0 B 2 +HETATM 3596 O OXT . EAA G 3 211 ? 6.445 21.677 -1.407 0.58 58.23 0 B 2 +HETATM 3597 C C1 . EAA G 3 211 ? 8.695 19.789 2.328 0.58 44.41 0 B 2 +HETATM 3598 O O1 . EAA G 3 211 ? 9.464 17.518 6.870 0.58 40.58 0 B 2 +HETATM 3599 C C2 . EAA G 3 211 ? 9.865 20.360 2.869 0.58 41.20 0 B 2 +HETATM 3600 O O2 . EAA G 3 211 ? 8.293 20.245 1.060 0.58 51.80 0 B 2 +HETATM 3601 C C3 . EAA G 3 211 ? 10.334 19.973 4.152 0.58 38.83 0 B 2 +HETATM 3602 C C4 . EAA G 3 211 ? 9.619 18.977 4.919 0.58 37.99 0 B 2 +HETATM 3603 C C5 . EAA G 3 211 ? 8.453 18.424 4.336 0.58 36.96 0 B 2 +HETATM 3604 C C6 . EAA G 3 211 ? 7.997 18.822 3.076 0.58 42.19 0 B 2 +HETATM 3605 C C7 . EAA G 3 211 ? 10.075 18.438 6.298 0.58 36.51 0 B 2 +HETATM 3606 C C8 . EAA G 3 211 ? 11.371 18.954 7.071 0.58 29.16 0 B 2 +HETATM 3607 C C9 . EAA G 3 211 ? 11.112 19.649 8.422 0.58 29.15 0 B 2 +HETATM 3608 C C10 . EAA G 3 211 ? 12.095 20.740 8.861 0.58 7.54 0 B 2 +HETATM 3609 C C11 . EAA G 3 211 ? 12.525 17.953 7.143 0.58 37.43 0 B 2 +HETATM 3610 C C12 . EAA G 3 211 ? 7.095 21.066 0.821 0.58 54.94 0 B 2 +HETATM 3611 C C13 . EAA G 3 211 ? 7.167 21.954 -0.425 0.58 58.74 0 B 2 +HETATM 3612 O O1 . MES H 4 212 ? 25.399 31.732 0.101 1.00 29.43 0 B 2 +HETATM 3613 O O1S . MES H 4 212 ? 28.350 34.180 6.757 1.00 54.74 0 B 2 +HETATM 3614 C C2 . MES H 4 212 ? 26.298 30.743 0.676 1.00 30.42 0 B 2 +HETATM 3615 O O2S . MES H 4 212 ? 27.106 36.266 5.827 1.00 52.67 0 B 2 +HETATM 3616 C C3 . MES H 4 212 ? 26.876 31.255 2.009 1.00 32.96 0 B 2 +HETATM 3617 O O3S . MES H 4 212 ? 29.301 35.349 4.647 1.00 54.91 0 B 2 +HETATM 3618 N N4 . MES H 4 212 ? 26.738 32.784 2.137 1.00 37.73 0 B 2 +HETATM 3619 C C5 . MES H 4 212 ? 26.934 33.536 0.784 1.00 41.06 0 B 2 +HETATM 3620 C C6 . MES H 4 212 ? 26.026 32.960 -0.336 1.00 32.62 0 B 2 +HETATM 3621 C C7 . MES H 4 212 ? 27.655 33.329 3.241 1.00 41.26 0 B 2 +HETATM 3622 C C8 . MES H 4 212 ? 26.877 33.880 4.434 1.00 48.43 0 B 2 +HETATM 3623 S S . MES H 4 212 ? 27.897 34.937 5.446 1.00 49.83 0 B 2 +HETATM 3624 O O . HOH I 5 213 ? 30.973 0.731 12.888 1.00 14.90 0 A 2 +HETATM 3625 O O . HOH I 5 214 ? 16.353 5.845 8.714 1.00 13.46 0 A 2 +HETATM 3626 O O . HOH I 5 215 ? 18.802 9.871 22.399 1.00 19.85 0 A 2 +HETATM 3627 O O . HOH I 5 216 ? 17.849 -5.218 27.284 1.00 6.65 0 A 2 +HETATM 3628 O O . HOH I 5 217 ? 14.913 11.735 17.839 1.00 18.37 0 A 2 +HETATM 3629 O O . HOH I 5 218 ? 12.209 -1.351 21.361 1.00 16.28 0 A 2 +HETATM 3630 O O . HOH I 5 219 ? 17.915 -0.312 22.660 1.00 10.91 0 A 2 +HETATM 3631 O O . HOH I 5 220 ? 18.848 -6.964 29.264 1.00 8.02 0 A 2 +HETATM 3632 O O . HOH I 5 221 ? 9.026 0.631 7.674 1.00 27.53 0 A 2 +HETATM 3633 O O . HOH I 5 222 ? 16.144 9.617 28.006 1.00 17.74 0 A 2 +HETATM 3634 O O . HOH I 5 223 ? 14.653 13.188 31.007 1.00 40.58 0 A 2 +HETATM 3635 O O . HOH I 5 224 ? 32.035 -8.919 15.067 1.00 22.71 0 A 2 +HETATM 3636 O O . HOH I 5 225 ? 15.346 -5.308 21.418 1.00 21.73 0 A 2 +HETATM 3637 O O . HOH I 5 226 ? 20.663 2.073 23.335 1.00 16.32 0 A 2 +HETATM 3638 O O . HOH I 5 227 ? 15.679 12.253 27.840 1.00 15.79 0 A 2 +HETATM 3639 O O . HOH I 5 228 ? 20.342 -5.842 31.041 1.00 9.59 0 A 2 +HETATM 3640 O O . HOH I 5 229 ? 27.712 -9.205 6.008 1.00 27.35 0 A 2 +HETATM 3641 O O . HOH I 5 230 ? 32.629 -7.932 12.186 1.00 25.56 0 A 2 +HETATM 3642 O O . HOH I 5 231 ? 31.477 11.482 26.421 1.00 12.72 0 A 2 +HETATM 3643 O O . HOH I 5 232 ? 14.894 -2.666 21.634 1.00 27.21 0 A 2 +HETATM 3644 O O . HOH I 5 233 ? 15.414 -2.368 32.929 1.00 13.49 0 A 2 +HETATM 3645 O O . HOH I 5 234 ? 16.927 -1.121 34.741 1.00 14.02 0 A 2 +HETATM 3646 O O . HOH I 5 235 ? 13.388 12.376 25.958 1.00 21.71 0 A 2 +HETATM 3647 O O . HOH I 5 236 ? 9.944 0.052 23.599 1.00 24.83 0 A 2 +HETATM 3648 O O . HOH I 5 237 ? 18.699 2.270 21.411 1.00 23.12 0 A 2 +HETATM 3649 O O . HOH I 5 238 ? 10.016 -8.725 32.364 1.00 32.09 0 A 2 +HETATM 3650 O O . HOH I 5 239 ? 34.786 2.316 15.527 1.00 15.46 0 A 2 +HETATM 3651 O O . HOH I 5 240 ? 18.238 4.711 18.371 1.00 10.49 0 A 2 +HETATM 3652 O O . HOH I 5 241 ? 19.166 5.121 21.117 1.00 20.37 0 A 2 +HETATM 3653 O O . HOH I 5 242 ? 9.724 -6.136 17.351 1.00 19.18 0 A 2 +HETATM 3654 O O . HOH I 5 243 ? 27.394 11.512 24.655 1.00 10.41 0 A 2 +HETATM 3655 O O . HOH I 5 244 ? 7.984 3.283 7.682 1.00 26.45 0 A 2 +HETATM 3656 O O . HOH I 5 245 ? 7.094 -6.315 23.482 1.00 19.85 0 A 2 +HETATM 3657 O O . HOH I 5 246 ? 31.319 -4.234 6.618 1.00 12.52 0 A 2 +HETATM 3658 O O . HOH I 5 247 ? 36.545 5.527 18.522 1.00 26.96 0 A 2 +HETATM 3659 O O . HOH I 5 248 ? 38.331 0.085 25.566 1.00 35.14 0 A 2 +HETATM 3660 O O . HOH I 5 249 ? 11.640 9.003 12.086 1.00 20.90 0 A 2 +HETATM 3661 O O . HOH I 5 250 ? 2.606 2.361 8.945 1.00 34.28 0 A 2 +HETATM 3662 O O . HOH I 5 251 ? 25.497 10.096 38.279 1.00 20.21 0 A 2 +HETATM 3663 O O . HOH I 5 252 ? 22.190 -15.645 21.729 1.00 30.30 0 A 2 +HETATM 3664 O O . HOH I 5 253 ? 23.301 -15.020 19.431 1.00 22.63 0 A 2 +HETATM 3665 O O . HOH I 5 254 ? 16.088 4.212 6.641 1.00 15.98 0 A 2 +HETATM 3666 O O . HOH I 5 255 ? 6.066 4.557 8.838 1.00 31.49 0 A 2 +HETATM 3667 O O . HOH I 5 256 ? 16.755 11.772 38.461 1.00 28.77 0 A 2 +HETATM 3668 O O . HOH I 5 257 ? 19.230 -5.877 21.427 1.00 19.92 0 A 2 +HETATM 3669 O O . HOH I 5 258 ? 13.012 11.174 13.821 1.00 27.85 0 A 2 +HETATM 3670 O O . HOH I 5 259 ? 17.715 11.430 14.142 1.00 23.50 0 A 2 +HETATM 3671 O O . HOH I 5 260 ? 15.979 -2.128 40.948 1.00 32.75 0 A 2 +HETATM 3672 O O . HOH I 5 261 ? 10.032 2.839 2.026 1.00 18.16 0 A 2 +HETATM 3673 O O . HOH I 5 262 ? 15.260 5.736 4.655 1.00 17.32 0 A 2 +HETATM 3674 O O . HOH I 5 263 ? 25.670 15.220 35.524 1.00 22.99 0 A 2 +HETATM 3675 O O . HOH I 5 264 ? 29.041 -10.976 28.411 1.00 25.43 0 A 2 +HETATM 3676 O O . HOH I 5 265 ? 15.906 10.265 21.021 1.00 24.64 0 A 2 +HETATM 3677 O O . HOH I 5 266 ? 15.744 -5.262 33.802 1.00 17.75 0 A 2 +HETATM 3678 O O . HOH I 5 267 ? 33.042 14.620 37.547 1.00 28.52 0 A 2 +HETATM 3679 O O . HOH I 5 268 ? 17.795 7.090 39.811 1.00 29.62 0 A 2 +HETATM 3680 O O . HOH I 5 269 ? 6.097 14.044 37.427 1.00 26.13 0 A 2 +HETATM 3681 O O . HOH I 5 270 ? 24.394 -16.062 14.910 1.00 30.15 0 A 2 +HETATM 3682 O O . HOH I 5 271 ? 17.808 -6.896 33.259 1.00 26.03 0 A 2 +HETATM 3683 O O . HOH I 5 272 ? 6.283 15.661 35.280 1.00 14.40 0 A 2 +HETATM 3684 O O . HOH I 5 273 ? 15.452 -11.366 15.744 1.00 22.80 0 A 2 +HETATM 3685 O O . HOH I 5 274 ? 33.336 2.799 6.124 1.00 34.59 0 A 2 +HETATM 3686 O O . HOH I 5 275 ? 42.961 5.923 15.611 1.00 44.25 0 A 2 +HETATM 3687 O O . HOH I 5 276 ? 38.669 7.631 7.160 1.00 43.64 0 A 2 +HETATM 3688 O O . HOH I 5 277 ? 26.430 -14.952 9.896 1.00 42.37 0 A 2 +HETATM 3689 O O . HOH I 5 278 ? 36.364 -0.156 18.038 1.00 21.48 0 A 2 +HETATM 3690 O O . HOH I 5 279 ? 32.869 -1.853 34.306 1.00 56.13 0 A 2 +HETATM 3691 O O . HOH I 5 280 ? 7.469 8.583 13.671 1.00 19.57 0 A 2 +HETATM 3692 O O . HOH I 5 281 ? 10.478 14.898 26.755 1.00 32.67 0 A 2 +HETATM 3693 O O . HOH I 5 282 ? 16.766 -6.473 35.980 1.00 30.91 0 A 2 +HETATM 3694 O O . HOH I 5 283 ? 35.039 -8.550 11.886 1.00 29.28 0 A 2 +HETATM 3695 O O . HOH I 5 284 ? 13.238 10.194 21.369 1.00 28.47 0 A 2 +HETATM 3696 O O . HOH I 5 285 ? 39.782 19.112 12.379 1.00 46.09 0 A 2 +HETATM 3697 O O . HOH I 5 286 ? 26.741 6.670 40.059 1.00 41.70 0 A 2 +HETATM 3698 O O . HOH I 5 287 ? 26.978 4.284 38.822 1.00 16.71 0 A 2 +HETATM 3699 O O . HOH I 5 288 ? 21.338 9.590 16.313 1.00 8.45 0 A 2 +HETATM 3700 O O . HOH I 5 289 ? 30.432 14.771 42.609 1.00 24.82 0 A 2 +HETATM 3701 O O . HOH I 5 290 ? 13.603 6.127 8.603 1.00 17.52 0 A 2 +HETATM 3702 O O . HOH I 5 291 ? 10.628 6.786 22.377 1.00 23.71 0 A 2 +HETATM 3703 O O . HOH I 5 292 ? 8.172 9.434 38.760 1.00 28.33 0 A 2 +HETATM 3704 O O . HOH I 5 293 ? 2.474 5.522 13.213 1.00 28.64 0 A 2 +HETATM 3705 O O . HOH J 5 213 ? 20.610 14.491 18.120 1.00 16.91 0 B 2 +HETATM 3706 O O . HOH J 5 214 ? 13.405 17.495 24.470 1.00 12.24 0 B 2 +HETATM 3707 O O . HOH J 5 215 ? 17.735 19.343 15.433 1.00 11.97 0 B 2 +HETATM 3708 O O . HOH J 5 216 ? 24.401 13.154 14.703 1.00 13.92 0 B 2 +HETATM 3709 O O . HOH J 5 217 ? 27.160 24.909 25.000 1.00 14.34 0 B 2 +HETATM 3710 O O . HOH J 5 218 ? 7.733 28.948 13.267 1.00 11.17 0 B 2 +HETATM 3711 O O . HOH J 5 219 ? 20.928 22.965 11.275 1.00 21.31 0 B 2 +HETATM 3712 O O . HOH J 5 220 ? 12.159 19.143 26.256 1.00 23.66 0 B 2 +HETATM 3713 O O . HOH J 5 221 ? 23.409 11.790 21.301 1.00 6.66 0 B 2 +HETATM 3714 O O . HOH J 5 222 ? 27.956 22.772 31.541 1.00 22.63 0 B 2 +HETATM 3715 O O . HOH J 5 223 ? 12.778 15.022 25.106 1.00 13.75 0 B 2 +HETATM 3716 O O . HOH J 5 224 ? 20.310 14.311 11.732 1.00 26.62 0 B 2 +HETATM 3717 O O . HOH J 5 225 ? 31.983 23.936 23.016 1.00 17.33 0 B 2 +HETATM 3718 O O . HOH J 5 226 ? 18.585 29.178 6.804 1.00 20.81 0 B 2 +HETATM 3719 O O . HOH J 5 227 ? 20.510 25.183 -0.352 1.00 22.14 0 B 2 +HETATM 3720 O O . HOH J 5 228 ? 19.919 14.298 5.332 1.00 18.85 0 B 2 +HETATM 3721 O O . HOH J 5 229 ? 19.238 11.017 2.613 1.00 17.63 0 B 2 +HETATM 3722 O O . HOH J 5 230 ? 11.849 24.553 10.715 1.00 9.09 0 B 2 +HETATM 3723 O O . HOH J 5 231 ? 6.196 32.655 28.497 1.00 15.83 0 B 2 +HETATM 3724 O O . HOH J 5 232 ? 18.828 19.268 12.999 1.00 11.91 0 B 2 +HETATM 3725 O O . HOH J 5 233 ? 33.491 14.604 12.388 1.00 10.55 0 B 2 +HETATM 3726 O O . HOH J 5 234 ? 10.159 13.742 19.694 1.00 23.27 0 B 2 +HETATM 3727 O O . HOH J 5 235 ? 18.934 21.956 13.233 1.00 19.25 0 B 2 +HETATM 3728 O O . HOH J 5 236 ? 16.860 11.273 6.856 1.00 18.76 0 B 2 +HETATM 3729 O O . HOH J 5 237 ? 14.261 25.859 11.523 1.00 25.90 0 B 2 +HETATM 3730 O O . HOH J 5 238 ? 10.357 17.701 27.463 1.00 18.00 0 B 2 +HETATM 3731 O O . HOH J 5 239 ? 19.858 31.009 5.150 1.00 17.82 0 B 2 +HETATM 3732 O O . HOH J 5 240 ? 5.075 21.528 22.674 1.00 29.74 0 B 2 +HETATM 3733 O O . HOH J 5 241 ? 22.950 38.565 28.624 1.00 17.13 0 B 2 +HETATM 3734 O O . HOH J 5 242 ? 20.810 33.822 29.923 1.00 9.16 0 B 2 +HETATM 3735 O O . HOH J 5 243 ? 17.969 24.066 11.709 1.00 19.97 0 B 2 +HETATM 3736 O O . HOH J 5 244 ? 14.820 28.770 10.955 1.00 24.90 0 B 2 +HETATM 3737 O O . HOH J 5 245 ? 3.285 23.007 29.827 1.00 31.98 0 B 2 +HETATM 3738 O O . HOH J 5 246 ? 15.376 12.165 15.312 1.00 16.74 0 B 2 +HETATM 3739 O O . HOH J 5 247 ? 0.953 29.059 9.892 1.00 30.94 0 B 2 +HETATM 3740 O O . HOH J 5 248 ? 34.959 20.979 21.513 1.00 16.43 0 B 2 +HETATM 3741 O O . HOH J 5 249 ? 12.907 22.329 11.628 1.00 20.41 0 B 2 +HETATM 3742 O O . HOH J 5 250 ? 15.392 38.207 30.907 1.00 22.45 0 B 2 +HETATM 3743 O O . HOH J 5 251 ? 35.144 20.807 9.026 1.00 36.72 0 B 2 +HETATM 3744 O O . HOH J 5 252 ? 20.580 40.689 19.589 1.00 36.41 0 B 2 +HETATM 3745 O O . HOH J 5 253 ? 4.633 19.892 28.305 1.00 34.01 0 B 2 +HETATM 3746 O O . HOH J 5 254 ? 19.727 11.684 5.447 1.00 41.07 0 B 2 +HETATM 3747 O O . HOH J 5 255 ? 32.730 33.125 22.151 1.00 23.93 0 B 2 +HETATM 3748 O O . HOH J 5 256 ? 19.917 40.348 12.881 1.00 15.04 0 B 2 +HETATM 3749 O O . HOH J 5 257 ? 14.788 26.928 36.000 1.00 16.48 0 B 2 +HETATM 3750 O O . HOH J 5 258 ? 7.090 28.580 6.227 1.00 23.29 0 B 2 +HETATM 3751 O O . HOH J 5 259 ? 26.585 42.511 12.651 1.00 17.90 0 B 2 +HETATM 3752 O O . HOH J 5 260 ? 22.628 37.551 2.180 1.00 31.26 0 B 2 +HETATM 3753 O O . HOH J 5 261 ? 27.819 37.172 8.975 1.00 18.95 0 B 2 +HETATM 3754 O O . HOH J 5 262 ? 3.745 17.109 20.542 1.00 22.72 0 B 2 +HETATM 3755 O O . HOH J 5 263 ? 27.453 33.597 25.743 1.00 19.05 0 B 2 +HETATM 3756 O O . HOH J 5 264 ? 28.971 14.013 12.696 1.00 13.83 0 B 2 +HETATM 3757 O O . HOH J 5 265 ? 33.702 19.037 32.712 1.00 29.25 0 B 2 +HETATM 3758 O O . HOH J 5 266 ? 5.391 30.384 29.638 1.00 26.15 0 B 2 +HETATM 3759 O O . HOH J 5 267 ? 10.198 17.052 23.284 1.00 22.80 0 B 2 +HETATM 3760 O O . HOH J 5 268 ? 5.842 14.656 11.054 1.00 35.85 0 B 2 +HETATM 3761 O O . HOH J 5 269 ? 23.427 12.766 -3.703 1.00 38.81 0 B 2 +HETATM 3762 O O . HOH J 5 270 ? 31.404 15.424 -1.198 1.00 30.47 0 B 2 +HETATM 3763 O O . HOH J 5 271 ? 1.006 18.955 21.352 1.00 24.31 0 B 2 +HETATM 3764 O O . HOH J 5 272 ? 24.676 13.199 -6.931 1.00 33.97 0 B 2 +HETATM 3765 O O . HOH J 5 273 ? 24.868 28.429 37.570 1.00 20.58 0 B 2 +HETATM 3766 O O . HOH J 5 274 ? 12.349 32.517 -0.549 1.00 21.23 0 B 2 +HETATM 3767 O O . HOH J 5 275 ? 13.919 31.165 11.852 1.00 35.39 0 B 2 +HETATM 3768 O O . HOH J 5 276 ? 12.718 21.208 33.738 1.00 30.90 0 B 2 +HETATM 3769 O O . HOH J 5 277 ? 18.528 29.262 -0.271 1.00 46.93 0 B 2 +HETATM 3770 O O . HOH J 5 278 ? 18.946 40.499 27.880 1.00 18.68 0 B 2 +HETATM 3771 O O . HOH J 5 279 ? 31.623 24.227 26.175 1.00 18.09 0 B 2 +HETATM 3772 O O . HOH J 5 280 ? 19.561 12.130 16.965 1.00 26.13 0 B 2 +HETATM 3773 O O . HOH J 5 281 ? 16.115 39.379 27.433 1.00 46.44 0 B 2 +HETATM 3774 O O . HOH J 5 282 ? 11.689 38.633 29.469 1.00 34.75 0 B 2 +HETATM 3775 O O . HOH J 5 283 ? 8.579 31.941 35.113 1.00 35.47 0 B 2 +HETATM 3776 O O . HOH J 5 284 ? 21.974 30.378 3.290 1.00 27.23 0 B 2 +HETATM 3777 O O . HOH J 5 285 ? 10.852 34.717 10.974 1.00 33.68 0 B 2 +HETATM 3778 O O . HOH J 5 286 ? 3.062 17.347 17.479 1.00 23.50 0 B 2 +HETATM 3779 O O . HOH J 5 287 ? 9.585 17.566 30.413 1.00 35.72 0 B 2 +HETATM 3780 O O . HOH J 5 288 ? 25.754 37.737 30.301 1.00 35.68 0 B 2 +HETATM 3781 O O . HOH J 5 289 ? -5.496 27.631 15.894 1.00 36.11 0 B 2 +HETATM 3782 O O . HOH J 5 290 ? 0.572 34.340 16.654 1.00 44.80 0 B 2 +HETATM 3783 O O . HOH J 5 291 ? -1.204 18.747 18.868 1.00 57.65 0 B 2 +HETATM 3784 O O . HOH J 5 292 ? 34.605 16.473 22.169 1.00 30.94 0 B 2 +HETATM 3785 O O . HOH J 5 293 ? 10.847 23.216 7.230 1.00 37.65 0 B 2 +HETATM 3786 O O . HOH J 5 294 ? 33.410 30.934 18.666 1.00 30.96 0 B 2 +HETATM 3787 O O . HOH J 5 295 ? 36.686 11.713 23.216 1.00 32.48 0 B 2 +HETATM 3788 O O . HOH J 5 296 ? 5.961 28.613 32.151 1.00 38.09 0 B 2 +HETATM 3789 O O . HOH J 5 297 ? 10.294 24.351 -0.916 1.00 24.36 0 B 2 +HETATM 3790 O O . HOH J 5 298 ? 21.334 35.981 31.628 1.00 24.60 0 B 2 +HETATM 3791 O O . HOH J 5 299 ? 16.272 37.598 11.369 1.00 27.17 0 B 2 +HETATM 3792 O O . HOH J 5 300 ? 12.132 15.899 9.468 1.00 32.42 0 B 2 +HETATM 3793 O O . HOH J 5 301 ? 24.277 23.261 33.088 1.00 33.10 0 B 2 +HETATM 3794 O O . HOH J 5 302 ? 16.896 36.804 17.617 1.00 50.82 0 B 2 +HETATM 3795 O O . HOH J 5 303 ? 30.461 37.089 15.543 1.00 38.02 0 B 2 +HETATM 3796 O O . HOH J 5 304 ? 29.873 15.258 36.436 1.00 25.98 0 B 2 +HETATM 3797 O O . HOH J 5 305 ? 15.831 35.923 13.889 1.00 36.69 0 B 2 diff --git a/testsuite/pyproject.toml b/testsuite/pyproject.toml index b5bbda77af2..1a1c5297646 100644 --- a/testsuite/pyproject.toml +++ b/testsuite/pyproject.toml @@ -167,9 +167,7 @@ __pycache__ | testsuite/MDAnalysisTests/analysis/test_diffusionmap\.py | testsuite/MDAnalysisTests/analysis/conftest\.py | testsuite/MDAnalysisTests/analysis/test_align\.py -| testsuite/MDAnalysisTests/coordinates/test_mmcif\.py | testsuite/MDAnalysisTests/datafiles\.py -| testsuite/MDAnalysisTests/topology/test_mmcif\.py | testsuite/MDAnalysisTests/coordinates/test_cif\.py | testsuite/MDAnalysisTests/analysis/test_encore\.py | testsuite/MDAnalysisTests/parallelism/test_multiprocessing\.py From a03b56f9c9494df33fd4e092a21d86469a604cb8 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Sun, 23 Feb 2025 13:49:33 +0100 Subject: [PATCH 090/133] add tests for multimodel file warnings --- package/MDAnalysis/coordinates/MMCIF.py | 7 +- package/MDAnalysis/topology/MMCIFParser.py | 6 +- .../MDAnalysisTests/coordinates/test_mmcif.py | 20 +- .../MDAnalysisTests/data/mmcif/multimodel.cif | 7093 ----------------- .../MDAnalysisTests/topology/test_mmcif.py | 12 +- 5 files changed, 30 insertions(+), 7108 deletions(-) delete mode 100644 testsuite/MDAnalysisTests/data/mmcif/multimodel.cif diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 377dcd5fbb4..b0a1560c3ef 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -128,13 +128,8 @@ def _read_first_frame(self): ) if len(structure) > 1: warnings.warn( # FIXME: add tests for this - f"File {self.filename} has {len(structure)} models, but only the first one will be read" + f"File {self.filename} has {len(structure)=} models, but only the first one will be read" ) - if len(structure) > 1: - warnings.warn( # FIXME: add tests for this - "MMCIF model {self.filename} contains {len(model)=} different models, " - "but only the first one will be used to assign the topology" - ) # TODO: if the structures represent timestamps, can parse them with :func:`get_coordinates`. model = structure[0] coords = get_coordinates(model) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index b71b82b7608..a52b1e8deac 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -97,11 +97,7 @@ def _into_idx(arr: list) -> list[int]: .. versionadded:: 2.9.0 """ - return [ - idx - for idx, (_, group) in enumerate(itertools.groupby(arr)) - for _ in group - ] + return [idx for idx, (_, group) in enumerate(itertools.groupby(arr)) for _ in group] def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py index 1d0f2a8e4fa..cbb2e2b6d8e 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -11,7 +11,11 @@ @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize( "mmcif_filename", - [f for f in glob.glob(f"{MMCIF_FOLDER}/*.cif*") if "invalid" not in f], + [ + f + for f in glob.glob(f"{MMCIF_FOLDER}/*.cif*") + if "invalid" not in f and "warning" not in f + ], ) def test_works_with_explicit_format(mmcif_filename): u = mda.Universe(mmcif_filename, format="MMCIF") @@ -21,7 +25,11 @@ def test_works_with_explicit_format(mmcif_filename): @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize( "mmcif_filename", - [f for f in glob.glob(f"{MMCIF_FOLDER}/*.cif*") if "invalid" not in f], + [ + f + for f in glob.glob(f"{MMCIF_FOLDER}/*.cif*") + if "invalid" not in f and "warning" not in f + ], ) def test_works_without_explicit_format(mmcif_filename): u = mda.Universe(mmcif_filename) @@ -60,3 +68,11 @@ def test_n_atoms(mmcif_filename, natoms_protein, natoms_total): ) def test_cell(mmcif_filename, cell): assert np.allclose(mda.Universe(mmcif_filename).coord._unitcell, cell) + + +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") +def test_multimodel_warning_msg(): + with pytest.warns( + UserWarning, match=r"File .+ has .+ models, but only the first one will be read" + ): + mda.coordinates.MMCIF.MMCIFReader(f"{MMCIF_FOLDER}/multimodel_warning.cif") diff --git a/testsuite/MDAnalysisTests/data/mmcif/multimodel.cif b/testsuite/MDAnalysisTests/data/mmcif/multimodel.cif deleted file mode 100644 index dfa482ea1a7..00000000000 --- a/testsuite/MDAnalysisTests/data/mmcif/multimodel.cif +++ /dev/null @@ -1,7093 +0,0 @@ -# generated by PyMOL 3.0.3 -# -data_mmodel -_entry.id mmodel -# -_cell.entry_id mmodel -_cell.length_a 79.723 -_cell.length_b 90.460 -_cell.length_c 69.404 -_cell.angle_alpha 90.00 -_cell.angle_beta 98.19 -_cell.angle_gamma 90.00 -_symmetry.entry_id mmodel -_symmetry.space_group_name_H-M 'C 1 2 1' -# -loop_ -_atom_site.group_PDB -_atom_site.id -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_alt_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.pdbx_PDB_ins_code -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.pdbx_formal_charge -_atom_site.auth_asym_id -_atom_site.pdbx_PDB_model_num -ATOM 1 N N . PRO A 1 2 ? 31.242 3.064 39.284 1.00 40.30 0 A 1 -ATOM 2 C CA . PRO A 1 2 ? 31.195 2.392 37.963 1.00 33.93 0 A 1 -ATOM 3 C C . PRO A 1 2 ? 29.975 2.923 37.197 1.00 24.70 0 A 1 -ATOM 4 O O . PRO A 1 2 ? 29.727 4.132 37.181 1.00 17.72 0 A 1 -ATOM 5 C CB . PRO A 1 2 ? 31.063 0.905 38.251 1.00 42.93 0 A 1 -ATOM 6 C CG . PRO A 1 2 ? 30.276 0.947 39.549 1.00 45.34 0 A 1 -ATOM 7 C CD . PRO A 1 2 ? 30.829 2.121 40.343 1.00 46.68 0 A 1 -ATOM 8 N N . TYR A 1 3 ? 29.189 2.020 36.613 1.00 20.79 0 A 1 -ATOM 9 C CA . TYR A 1 3 ? 28.011 2.405 35.850 1.00 17.22 0 A 1 -ATOM 10 C C . TYR A 1 3 ? 26.711 1.995 36.517 1.00 14.75 0 A 1 -ATOM 11 O O . TYR A 1 3 ? 26.629 0.949 37.161 1.00 21.91 0 A 1 -ATOM 12 C CB . TYR A 1 3 ? 28.055 1.772 34.459 1.00 15.81 0 A 1 -ATOM 13 C CG . TYR A 1 3 ? 29.318 2.059 33.684 1.00 11.31 0 A 1 -ATOM 14 C CD1 . TYR A 1 3 ? 29.678 3.366 33.355 1.00 9.55 0 A 1 -ATOM 15 C CD2 . TYR A 1 3 ? 30.149 1.023 33.267 1.00 10.62 0 A 1 -ATOM 16 C CE1 . TYR A 1 3 ? 30.835 3.633 32.629 1.00 10.73 0 A 1 -ATOM 17 C CE2 . TYR A 1 3 ? 31.308 1.279 32.539 1.00 15.60 0 A 1 -ATOM 18 C CZ . TYR A 1 3 ? 31.645 2.584 32.226 1.00 18.08 0 A 1 -ATOM 19 O OH . TYR A 1 3 ? 32.803 2.828 31.528 1.00 26.51 0 A 1 -ATOM 20 N N . THR A 1 4 ? 25.683 2.804 36.297 1.00 11.26 0 A 1 -ATOM 21 C CA . THR A 1 4 ? 24.361 2.547 36.835 1.00 16.83 0 A 1 -ATOM 22 C C . THR A 1 4 ? 23.337 2.985 35.797 1.00 18.11 0 A 1 -ATOM 23 O O . THR A 1 4 ? 23.374 4.124 35.335 1.00 13.77 0 A 1 -ATOM 24 C CB . THR A 1 4 ? 24.097 3.357 38.132 1.00 19.14 0 A 1 -ATOM 25 C CG2 . THR A 1 4 ? 22.713 3.031 38.699 1.00 13.24 0 A 1 -ATOM 26 O OG1 . THR A 1 4 ? 25.094 3.042 39.110 1.00 23.80 0 A 1 -ATOM 27 N N . VAL A 1 5 ? 22.463 2.071 35.385 1.00 17.20 0 A 1 -ATOM 28 C CA . VAL A 1 5 ? 21.420 2.437 34.438 1.00 19.45 0 A 1 -ATOM 29 C C . VAL A 1 5 ? 20.078 2.369 35.160 1.00 18.28 0 A 1 -ATOM 30 O O . VAL A 1 5 ? 19.743 1.367 35.790 1.00 18.41 0 A 1 -ATOM 31 C CB . VAL A 1 5 ? 21.436 1.582 33.113 1.00 16.72 0 A 1 -ATOM 32 C CG1 . VAL A 1 5 ? 22.717 0.779 32.989 1.00 7.74 0 A 1 -ATOM 33 C CG2 . VAL A 1 5 ? 20.204 0.704 32.988 1.00 7.61 0 A 1 -ATOM 34 N N . VAL A 1 6 ? 19.366 3.488 35.149 1.00 16.51 0 A 1 -ATOM 35 C CA . VAL A 1 6 ? 18.059 3.585 35.781 1.00 13.04 0 A 1 -ATOM 36 C C . VAL A 1 6 ? 17.049 3.522 34.638 1.00 12.99 0 A 1 -ATOM 37 O O . VAL A 1 6 ? 17.045 4.385 33.752 1.00 12.15 0 A 1 -ATOM 38 C CB . VAL A 1 6 ? 17.906 4.919 36.550 1.00 11.40 0 A 1 -ATOM 39 C CG1 . VAL A 1 6 ? 16.592 4.937 37.304 1.00 5.99 0 A 1 -ATOM 40 C CG2 . VAL A 1 6 ? 19.084 5.122 37.497 1.00 5.71 0 A 1 -ATOM 41 N N . TYR A 1 7 ? 16.196 2.504 34.657 1.00 15.71 0 A 1 -ATOM 42 C CA . TYR A 1 7 ? 15.226 2.331 33.585 1.00 16.80 0 A 1 -ATOM 43 C C . TYR A 1 7 ? 14.067 1.427 33.993 1.00 16.48 0 A 1 -ATOM 44 O O . TYR A 1 7 ? 14.097 0.789 35.042 1.00 16.21 0 A 1 -ATOM 45 C CB . TYR A 1 7 ? 15.954 1.735 32.372 1.00 9.91 0 A 1 -ATOM 46 C CG . TYR A 1 7 ? 15.202 1.810 31.064 1.00 15.33 0 A 1 -ATOM 47 C CD1 . TYR A 1 7 ? 14.713 3.025 30.580 1.00 15.73 0 A 1 -ATOM 48 C CD2 . TYR A 1 7 ? 14.995 0.665 30.297 1.00 11.86 0 A 1 -ATOM 49 C CE1 . TYR A 1 7 ? 14.036 3.095 29.363 1.00 15.11 0 A 1 -ATOM 50 C CE2 . TYR A 1 7 ? 14.323 0.723 29.083 1.00 14.63 0 A 1 -ATOM 51 C CZ . TYR A 1 7 ? 13.846 1.938 28.621 1.00 17.31 0 A 1 -ATOM 52 O OH . TYR A 1 7 ? 13.180 1.997 27.419 1.00 11.41 0 A 1 -ATOM 53 N N . PHE A 1 8 ? 13.041 1.388 33.152 1.00 17.60 0 A 1 -ATOM 54 C CA . PHE A 1 8 ? 11.870 0.551 33.384 1.00 22.06 0 A 1 -ATOM 55 C C . PHE A 1 8 ? 12.265 -0.902 33.111 1.00 17.73 0 A 1 -ATOM 56 O O . PHE A 1 8 ? 13.297 -1.157 32.496 1.00 22.80 0 A 1 -ATOM 57 C CB . PHE A 1 8 ? 10.742 0.990 32.454 1.00 22.75 0 A 1 -ATOM 58 C CG . PHE A 1 8 ? 10.344 2.426 32.635 1.00 23.49 0 A 1 -ATOM 59 C CD1 . PHE A 1 8 ? 9.655 2.833 33.777 1.00 23.87 0 A 1 -ATOM 60 C CD2 . PHE A 1 8 ? 10.680 3.380 31.679 1.00 20.62 0 A 1 -ATOM 61 C CE1 . PHE A 1 8 ? 9.306 4.171 33.966 1.00 29.01 0 A 1 -ATOM 62 C CE2 . PHE A 1 8 ? 10.337 4.724 31.856 1.00 26.13 0 A 1 -ATOM 63 C CZ . PHE A 1 8 ? 9.649 5.120 33.002 1.00 29.47 0 A 1 -ATOM 64 N N . PRO A 1 9 ? 11.475 -1.874 33.599 1.00 19.54 0 A 1 -ATOM 65 C CA . PRO A 1 9 ? 11.810 -3.285 33.365 1.00 19.74 0 A 1 -ATOM 66 C C . PRO A 1 9 ? 11.527 -3.784 31.939 1.00 19.18 0 A 1 -ATOM 67 O O . PRO A 1 9 ? 10.777 -4.740 31.743 1.00 18.62 0 A 1 -ATOM 68 C CB . PRO A 1 9 ? 10.955 -4.005 34.409 1.00 20.12 0 A 1 -ATOM 69 C CG . PRO A 1 9 ? 9.724 -3.141 34.473 1.00 21.71 0 A 1 -ATOM 70 C CD . PRO A 1 9 ? 10.312 -1.748 34.496 1.00 25.50 0 A 1 -ATOM 71 N N . VAL A 1 10 ? 12.125 -3.123 30.949 1.00 19.05 0 A 1 -ATOM 72 C CA . VAL A 1 10 ? 11.969 -3.489 29.541 1.00 16.29 0 A 1 -ATOM 73 C C . VAL A 1 10 ? 13.312 -3.289 28.850 1.00 20.35 0 A 1 -ATOM 74 O O . VAL A 1 10 ? 14.214 -2.661 29.407 1.00 21.82 0 A 1 -ATOM 75 C CB . VAL A 1 10 ? 10.906 -2.613 28.810 1.00 16.76 0 A 1 -ATOM 76 C CG1 . VAL A 1 10 ? 9.550 -2.724 29.493 1.00 18.08 0 A 1 -ATOM 77 C CG2 . VAL A 1 10 ? 11.359 -1.160 28.743 1.00 19.81 0 A 1 -ATOM 78 N N . ARG A 1 11 ? 13.460 -3.848 27.653 1.00 14.81 0 A 1 -ATOM 79 C CA . ARG A 1 11 ? 14.701 -3.694 26.898 1.00 12.30 0 A 1 -ATOM 80 C C . ARG A 1 11 ? 14.738 -2.278 26.338 1.00 14.57 0 A 1 -ATOM 81 O O . ARG A 1 11 ? 15.679 -1.529 26.597 1.00 13.86 0 A 1 -ATOM 82 C CB . ARG A 1 11 ? 14.773 -4.713 25.762 1.00 7.23 0 A 1 -ATOM 83 C CG . ARG A 1 11 ? 14.797 -6.150 26.244 1.00 11.02 0 A 1 -ATOM 84 C CD . ARG A 1 11 ? 14.943 -7.120 25.092 1.00 11.90 0 A 1 -ATOM 85 N NE . ARG A 1 11 ? 14.609 -8.476 25.509 1.00 13.33 0 A 1 -ATOM 86 C CZ . ARG A 1 11 ? 14.246 -9.448 24.679 1.00 18.91 0 A 1 -ATOM 87 N NH1 . ARG A 1 11 ? 14.176 -9.219 23.375 1.00 15.76 0 A 1 -ATOM 88 N NH2 . ARG A 1 11 ? 13.917 -10.638 25.163 1.00 20.85 0 A 1 -ATOM 89 N N . GLY A 1 12 ? 13.692 -1.933 25.585 1.00 15.01 0 A 1 -ATOM 90 C CA . GLY A 1 12 ? 13.546 -0.612 24.995 1.00 11.84 0 A 1 -ATOM 91 C C . GLY A 1 12 ? 14.805 0.095 24.539 1.00 10.99 0 A 1 -ATOM 92 O O . GLY A 1 12 ? 15.615 -0.464 23.794 1.00 5.92 0 A 1 -ATOM 93 N N . ARG A 1 13 ? 14.993 1.315 25.032 1.00 14.50 0 A 1 -ATOM 94 C CA . ARG A 1 13 ? 16.152 2.121 24.667 1.00 14.34 0 A 1 -ATOM 95 C C . ARG A 1 13 ? 17.452 1.819 25.406 1.00 14.90 0 A 1 -ATOM 96 O O . ARG A 1 13 ? 18.432 2.551 25.256 1.00 13.09 0 A 1 -ATOM 97 C CB . ARG A 1 13 ? 15.815 3.611 24.771 1.00 8.69 0 A 1 -ATOM 98 C CG . ARG A 1 13 ? 14.896 4.098 23.662 1.00 6.42 0 A 1 -ATOM 99 C CD . ARG A 1 13 ? 14.694 5.596 23.736 1.00 9.52 0 A 1 -ATOM 100 N NE . ARG A 1 13 ? 13.987 6.117 22.568 1.00 11.58 0 A 1 -ATOM 101 C CZ . ARG A 1 13 ? 14.584 6.502 21.444 1.00 7.79 0 A 1 -ATOM 102 N NH1 . ARG A 1 13 ? 15.904 6.417 21.320 1.00 9.98 0 A 1 -ATOM 103 N NH2 . ARG A 1 13 ? 13.856 6.965 20.438 1.00 13.57 0 A 1 -ATOM 104 N N . CYS A 1 14 ? 17.470 0.750 26.199 1.00 8.01 0 A 1 -ATOM 105 C CA . CYS A 1 14 ? 18.685 0.383 26.927 1.00 10.51 0 A 1 -ATOM 106 C C . CYS A 1 14 ? 19.309 -0.901 26.413 1.00 6.86 0 A 1 -ATOM 107 O O . CYS A 1 14 ? 20.429 -1.250 26.795 1.00 11.77 0 A 1 -ATOM 108 C CB . CYS A 1 14 ? 18.411 0.265 28.428 1.00 10.12 0 A 1 -ATOM 109 S SG . CYS A 1 14 ? 18.129 1.852 29.221 1.00 20.17 0 A 1 -ATOM 110 N N . ALA A 1 15 ? 18.591 -1.590 25.530 1.00 12.16 0 A 1 -ATOM 111 C CA . ALA A 1 15 ? 19.059 -2.847 24.959 1.00 10.59 0 A 1 -ATOM 112 C C . ALA A 1 15 ? 20.445 -2.728 24.332 1.00 13.22 0 A 1 -ATOM 113 O O . ALA A 1 15 ? 21.353 -3.490 24.667 1.00 16.19 0 A 1 -ATOM 114 C CB . ALA A 1 15 ? 18.048 -3.362 23.935 1.00 11.84 0 A 1 -ATOM 115 N N . ALA A 1 16 ? 20.620 -1.732 23.470 1.00 10.66 0 A 1 -ATOM 116 C CA . ALA A 1 16 ? 21.892 -1.515 22.794 1.00 10.55 0 A 1 -ATOM 117 C C . ALA A 1 16 ? 23.036 -1.185 23.745 1.00 11.77 0 A 1 -ATOM 118 O O . ALA A 1 16 ? 24.125 -1.760 23.631 1.00 13.30 0 A 1 -ATOM 119 C CB . ALA A 1 16 ? 21.747 -0.433 21.742 1.00 7.90 0 A 1 -ATOM 120 N N . LEU A 1 17 ? 22.792 -0.282 24.694 1.00 13.79 0 A 1 -ATOM 121 C CA . LEU A 1 17 ? 23.834 0.100 25.648 1.00 15.76 0 A 1 -ATOM 122 C C . LEU A 1 17 ? 24.190 -1.056 26.589 1.00 15.63 0 A 1 -ATOM 123 O O . LEU A 1 17 ? 25.335 -1.168 27.035 1.00 14.09 0 A 1 -ATOM 124 C CB . LEU A 1 17 ? 23.454 1.381 26.416 1.00 18.31 0 A 1 -ATOM 125 C CG . LEU A 1 17 ? 22.302 1.445 27.420 1.00 15.06 0 A 1 -ATOM 126 C CD1 . LEU A 1 17 ? 22.845 1.235 28.820 1.00 7.81 0 A 1 -ATOM 127 C CD2 . LEU A 1 17 ? 21.617 2.808 27.334 1.00 11.06 0 A 1 -ATOM 128 N N . ARG A 1 18 ? 23.223 -1.931 26.859 1.00 12.95 0 A 1 -ATOM 129 C CA . ARG A 1 18 ? 23.468 -3.096 27.707 1.00 9.44 0 A 1 -ATOM 130 C C . ARG A 1 18 ? 24.332 -4.104 26.951 1.00 14.72 0 A 1 -ATOM 131 O O . ARG A 1 18 ? 25.273 -4.670 27.516 1.00 19.95 0 A 1 -ATOM 132 C CB . ARG A 1 18 ? 22.155 -3.748 28.125 1.00 3.62 0 A 1 -ATOM 133 C CG . ARG A 1 18 ? 21.408 -2.979 29.195 1.00 4.59 0 A 1 -ATOM 134 C CD . ARG A 1 18 ? 19.985 -3.478 29.308 1.00 6.07 0 A 1 -ATOM 135 N NE . ARG A 1 18 ? 19.289 -2.858 30.426 1.00 9.44 0 A 1 -ATOM 136 C CZ . ARG A 1 18 ? 17.970 -2.717 30.505 1.00 10.49 0 A 1 -ATOM 137 N NH1 . ARG A 1 18 ? 17.188 -3.148 29.523 1.00 11.64 0 A 1 -ATOM 138 N NH2 . ARG A 1 18 ? 17.430 -2.148 31.577 1.00 12.21 0 A 1 -ATOM 139 N N . MET A 1 19 ? 24.019 -4.313 25.671 1.00 15.59 0 A 1 -ATOM 140 C CA . MET A 1 19 ? 24.787 -5.237 24.834 1.00 9.53 0 A 1 -ATOM 141 C C . MET A 1 19 ? 26.219 -4.743 24.714 1.00 13.51 0 A 1 -ATOM 142 O O . MET A 1 19 ? 27.158 -5.536 24.713 1.00 17.53 0 A 1 -ATOM 143 C CB . MET A 1 19 ? 24.185 -5.341 23.433 1.00 6.12 0 A 1 -ATOM 144 C CG . MET A 1 19 ? 22.786 -5.920 23.379 1.00 14.48 0 A 1 -ATOM 145 S SD . MET A 1 19 ? 22.261 -6.218 21.687 1.00 21.44 0 A 1 -ATOM 146 C CE . MET A 1 19 ? 22.032 -4.592 21.115 1.00 21.58 0 A 1 -ATOM 147 N N . LEU A 1 20 ? 26.374 -3.425 24.611 1.00 14.94 0 A 1 -ATOM 148 C CA . LEU A 1 20 ? 27.689 -2.804 24.493 1.00 13.85 0 A 1 -ATOM 149 C C . LEU A 1 20 ? 28.521 -3.068 25.751 1.00 14.37 0 A 1 -ATOM 150 O O . LEU A 1 20 ? 29.675 -3.501 25.665 1.00 19.83 0 A 1 -ATOM 151 C CB . LEU A 1 20 ? 27.529 -1.296 24.252 1.00 6.31 0 A 1 -ATOM 152 C CG . LEU A 1 20 ? 28.749 -0.433 23.902 1.00 7.04 0 A 1 -ATOM 153 C CD1 . LEU A 1 20 ? 28.275 0.862 23.265 1.00 6.73 0 A 1 -ATOM 154 C CD2 . LEU A 1 20 ? 29.615 -0.147 25.128 1.00 2.64 0 A 1 -ATOM 155 N N . LEU A 1 21 ? 27.932 -2.792 26.914 1.00 15.44 0 A 1 -ATOM 156 C CA . LEU A 1 21 ? 28.607 -3.002 28.192 1.00 17.44 0 A 1 -ATOM 157 C C . LEU A 1 21 ? 28.966 -4.472 28.388 1.00 19.16 0 A 1 -ATOM 158 O O . LEU A 1 21 ? 30.093 -4.793 28.748 1.00 21.14 0 A 1 -ATOM 159 C CB . LEU A 1 21 ? 27.728 -2.518 29.350 1.00 12.85 0 A 1 -ATOM 160 C CG . LEU A 1 21 ? 27.585 -1.001 29.494 1.00 11.49 0 A 1 -ATOM 161 C CD1 . LEU A 1 21 ? 26.521 -0.668 30.522 1.00 17.36 0 A 1 -ATOM 162 C CD2 . LEU A 1 21 ? 28.925 -0.394 29.884 1.00 12.50 0 A 1 -ATOM 163 N N . ALA A 1 22 ? 28.013 -5.356 28.115 1.00 19.03 0 A 1 -ATOM 164 C CA . ALA A 1 22 ? 28.224 -6.793 28.258 1.00 22.56 0 A 1 -ATOM 165 C C . ALA A 1 22 ? 29.358 -7.280 27.364 1.00 20.63 0 A 1 -ATOM 166 O O . ALA A 1 22 ? 30.309 -7.909 27.836 1.00 23.57 0 A 1 -ATOM 167 C CB . ALA A 1 22 ? 26.946 -7.539 27.928 1.00 20.00 0 A 1 -ATOM 168 N N . ASP A 1 23 ? 29.276 -6.943 26.081 1.00 17.90 0 A 1 -ATOM 169 C CA . ASP A 1 23 ? 30.281 -7.348 25.105 1.00 14.29 0 A 1 -ATOM 170 C C . ASP A 1 23 ? 31.676 -6.787 25.386 1.00 18.12 0 A 1 -ATOM 171 O O . ASP A 1 23 ? 32.681 -7.407 25.036 1.00 19.17 0 A 1 -ATOM 172 C CB . ASP A 1 23 ? 29.836 -6.954 23.693 1.00 20.25 0 A 1 -ATOM 173 C CG . ASP A 1 23 ? 30.595 -7.706 22.612 1.00 24.17 0 A 1 -ATOM 174 O OD1 . ASP A 1 23 ? 30.503 -8.949 22.578 1.00 27.18 0 A 1 -ATOM 175 O OD2 . ASP A 1 23 ? 31.316 -7.074 21.815 1.00 20.09 0 A 1 -ATOM 176 N N . GLN A 1 24 ? 31.738 -5.613 26.006 1.00 23.01 0 A 1 -ATOM 177 C CA . GLN A 1 24 ? 33.020 -4.987 26.329 1.00 20.04 0 A 1 -ATOM 178 C C . GLN A 1 24 ? 33.566 -5.446 27.673 1.00 13.67 0 A 1 -ATOM 179 O O . GLN A 1 24 ? 34.592 -4.950 28.133 1.00 25.20 0 A 1 -ATOM 180 C CB . GLN A 1 24 ? 32.897 -3.461 26.306 1.00 19.61 0 A 1 -ATOM 181 C CG . GLN A 1 24 ? 32.696 -2.884 24.907 1.00 17.00 0 A 1 -ATOM 182 C CD . GLN A 1 24 ? 33.820 -3.268 23.968 1.00 20.65 0 A 1 -ATOM 183 N NE2 . GLN A 1 24 ? 33.472 -3.759 22.785 1.00 15.36 0 A 1 -ATOM 184 O OE1 . GLN A 1 24 ? 34.994 -3.138 24.317 1.00 16.56 0 A 1 -ATOM 185 N N . GLY A 1 25 ? 32.870 -6.391 28.298 1.00 13.69 0 A 1 -ATOM 186 C CA . GLY A 1 25 ? 33.295 -6.918 29.582 1.00 19.04 0 A 1 -ATOM 187 C C . GLY A 1 25 ? 33.165 -5.936 30.730 1.00 23.40 0 A 1 -ATOM 188 O O . GLY A 1 25 ? 33.950 -5.973 31.667 1.00 22.15 0 A 1 -ATOM 189 N N . GLN A 1 26 ? 32.171 -5.058 30.658 1.00 22.37 0 A 1 -ATOM 190 C CA . GLN A 1 26 ? 31.943 -4.060 31.700 1.00 22.39 0 A 1 -ATOM 191 C C . GLN A 1 26 ? 30.861 -4.495 32.677 1.00 23.82 0 A 1 -ATOM 192 O O . GLN A 1 26 ? 29.915 -5.189 32.306 1.00 27.13 0 A 1 -ATOM 193 C CB . GLN A 1 26 ? 31.540 -2.719 31.078 1.00 22.15 0 A 1 -ATOM 194 C CG . GLN A 1 26 ? 32.541 -2.161 30.083 1.00 24.58 0 A 1 -ATOM 195 C CD . GLN A 1 26 ? 33.901 -1.926 30.700 1.00 25.38 0 A 1 -ATOM 196 N NE2 . GLN A 1 26 ? 34.953 -2.229 29.948 1.00 26.76 0 A 1 -ATOM 197 O OE1 . GLN A 1 26 ? 34.008 -1.498 31.850 1.00 28.09 0 A 1 -ATOM 198 N N . SER A 1 27 ? 31.007 -4.064 33.926 1.00 25.17 0 A 1 -ATOM 199 C CA . SER A 1 27 ? 30.052 -4.378 34.983 1.00 25.84 0 A 1 -ATOM 200 C C . SER A 1 27 ? 29.194 -3.143 35.206 1.00 22.71 0 A 1 -ATOM 201 O O . SER A 1 27 ? 29.686 -2.018 35.124 1.00 21.89 0 A 1 -ATOM 202 C CB . SER A 1 27 ? 30.786 -4.692 36.291 1.00 30.59 0 A 1 -ATOM 203 O OG . SER A 1 27 ? 31.909 -5.523 36.071 1.00 38.10 0 A 1 -ATOM 204 N N . TRP A 1 28 ? 27.915 -3.345 35.493 1.00 19.21 0 A 1 -ATOM 205 C CA . TRP A 1 28 ? 27.033 -2.220 35.755 1.00 19.94 0 A 1 -ATOM 206 C C . TRP A 1 28 ? 25.903 -2.616 36.697 1.00 17.58 0 A 1 -ATOM 207 O O . TRP A 1 28 ? 25.584 -3.795 36.841 1.00 22.16 0 A 1 -ATOM 208 C CB . TRP A 1 28 ? 26.472 -1.638 34.453 1.00 14.32 0 A 1 -ATOM 209 C CG . TRP A 1 28 ? 25.449 -2.498 33.757 1.00 16.19 0 A 1 -ATOM 210 C CD1 . TRP A 1 28 ? 24.090 -2.375 33.830 1.00 14.18 0 A 1 -ATOM 211 C CD2 . TRP A 1 28 ? 25.709 -3.566 32.833 1.00 15.51 0 A 1 -ATOM 212 C CE2 . TRP A 1 28 ? 24.457 -4.035 32.378 1.00 13.32 0 A 1 -ATOM 213 C CE3 . TRP A 1 28 ? 26.877 -4.171 32.344 1.00 12.70 0 A 1 -ATOM 214 N NE1 . TRP A 1 28 ? 23.491 -3.293 33.002 1.00 14.87 0 A 1 -ATOM 215 C CZ2 . TRP A 1 28 ? 24.341 -5.078 31.453 1.00 12.28 0 A 1 -ATOM 216 C CZ3 . TRP A 1 28 ? 26.759 -5.209 31.426 1.00 14.88 0 A 1 -ATOM 217 C CH2 . TRP A 1 28 ? 25.497 -5.650 30.991 1.00 14.09 0 A 1 -ATOM 218 N N . LYS A 1 29 ? 25.311 -1.615 37.337 1.00 18.25 0 A 1 -ATOM 219 C CA . LYS A 1 29 ? 24.219 -1.817 38.272 1.00 22.72 0 A 1 -ATOM 220 C C . LYS A 1 29 ? 22.915 -1.406 37.610 1.00 26.40 0 A 1 -ATOM 221 O O . LYS A 1 29 ? 22.855 -0.391 36.920 1.00 23.28 0 A 1 -ATOM 222 C CB . LYS A 1 29 ? 24.465 -0.976 39.529 1.00 30.34 0 A 1 -ATOM 223 C CG . LYS A 1 29 ? 23.266 -0.813 40.449 1.00 43.32 0 A 1 -ATOM 224 C CD . LYS A 1 29 ? 22.942 -2.085 41.219 1.00 54.54 0 A 1 -ATOM 225 C CE . LYS A 1 29 ? 21.690 -1.893 42.070 1.00 60.40 0 A 1 -ATOM 226 N NZ . LYS A 1 29 ? 21.792 -0.670 42.925 1.00 63.78 0 A 1 -ATOM 227 N N . GLU A 1 30 ? 21.883 -2.220 37.792 1.00 28.16 0 A 1 -ATOM 228 C CA . GLU A 1 30 ? 20.575 -1.930 37.229 1.00 21.35 0 A 1 -ATOM 229 C C . GLU A 1 30 ? 19.651 -1.439 38.332 1.00 25.95 0 A 1 -ATOM 230 O O . GLU A 1 30 ? 19.456 -2.119 39.339 1.00 27.35 0 A 1 -ATOM 231 C CB . GLU A 1 30 ? 19.971 -3.182 36.581 1.00 21.62 0 A 1 -ATOM 232 C CG . GLU A 1 30 ? 20.635 -3.620 35.278 1.00 22.40 0 A 1 -ATOM 233 C CD . GLU A 1 30 ? 20.113 -2.894 34.036 1.00 19.47 0 A 1 -ATOM 234 O OE1 . GLU A 1 30 ? 19.166 -2.081 34.132 1.00 23.49 0 A 1 -ATOM 235 O OE2 . GLU A 1 30 ? 20.642 -3.166 32.940 1.00 23.95 0 A 1 -ATOM 236 N N . GLU A 1 31 ? 19.141 -0.226 38.162 1.00 27.33 0 A 1 -ATOM 237 C CA . GLU A 1 31 ? 18.212 0.369 39.109 1.00 27.44 0 A 1 -ATOM 238 C C . GLU A 1 31 ? 16.875 0.323 38.411 1.00 26.43 0 A 1 -ATOM 239 O O . GLU A 1 31 ? 16.590 1.143 37.543 1.00 26.83 0 A 1 -ATOM 240 C CB . GLU A 1 31 ? 18.600 1.815 39.412 1.00 34.21 0 A 1 -ATOM 241 C CG . GLU A 1 31 ? 19.672 1.960 40.474 1.00 45.46 0 A 1 -ATOM 242 C CD . GLU A 1 31 ? 19.149 1.662 41.865 1.00 52.18 0 A 1 -ATOM 243 O OE1 . GLU A 1 31 ? 19.103 0.473 42.253 1.00 58.42 0 A 1 -ATOM 244 O OE2 . GLU A 1 31 ? 18.780 2.623 42.572 1.00 63.82 0 A 1 -ATOM 245 N N . VAL A 1 32 ? 16.074 -0.675 38.753 1.00 27.52 0 A 1 -ATOM 246 C CA . VAL A 1 32 ? 14.771 -0.841 38.132 1.00 27.08 0 A 1 -ATOM 247 C C . VAL A 1 32 ? 13.711 0.081 38.711 1.00 31.93 0 A 1 -ATOM 248 O O . VAL A 1 32 ? 13.533 0.168 39.922 1.00 33.19 0 A 1 -ATOM 249 C CB . VAL A 1 32 ? 14.290 -2.303 38.222 1.00 26.16 0 A 1 -ATOM 250 C CG1 . VAL A 1 32 ? 12.968 -2.469 37.496 1.00 17.94 0 A 1 -ATOM 251 C CG2 . VAL A 1 32 ? 15.342 -3.230 37.632 1.00 18.82 0 A 1 -ATOM 252 N N . VAL A 1 33 ? 13.021 0.782 37.821 1.00 30.78 0 A 1 -ATOM 253 C CA . VAL A 1 33 ? 11.956 1.693 38.197 1.00 27.34 0 A 1 -ATOM 254 C C . VAL A 1 33 ? 10.673 1.115 37.629 1.00 29.88 0 A 1 -ATOM 255 O O . VAL A 1 33 ? 10.568 0.885 36.422 1.00 30.38 0 A 1 -ATOM 256 C CB . VAL A 1 33 ? 12.180 3.106 37.603 1.00 24.70 0 A 1 -ATOM 257 C CG1 . VAL A 1 33 ? 10.984 4.002 37.892 1.00 19.75 0 A 1 -ATOM 258 C CG2 . VAL A 1 33 ? 13.446 3.720 38.172 1.00 23.49 0 A 1 -ATOM 259 N N . THR A 1 34 ? 9.713 0.850 38.506 1.00 33.84 0 A 1 -ATOM 260 C CA . THR A 1 34 ? 8.429 0.298 38.090 1.00 38.76 0 A 1 -ATOM 261 C C . THR A 1 34 ? 7.491 1.426 37.669 1.00 38.33 0 A 1 -ATOM 262 O O . THR A 1 34 ? 7.734 2.591 37.983 1.00 34.11 0 A 1 -ATOM 263 C CB . THR A 1 34 ? 7.770 -0.500 39.231 1.00 40.00 0 A 1 -ATOM 264 C CG2 . THR A 1 34 ? 8.716 -1.576 39.739 1.00 43.99 0 A 1 -ATOM 265 O OG1 . THR A 1 34 ? 7.449 0.386 40.311 1.00 47.23 0 A 1 -ATOM 266 N N . VAL A 1 35 ? 6.421 1.072 36.961 1.00 44.47 0 A 1 -ATOM 267 C CA . VAL A 1 35 ? 5.430 2.046 36.503 1.00 51.24 0 A 1 -ATOM 268 C C . VAL A 1 35 ? 4.763 2.744 37.696 1.00 52.85 0 A 1 -ATOM 269 O O . VAL A 1 35 ? 4.352 3.900 37.599 1.00 49.57 0 A 1 -ATOM 270 C CB . VAL A 1 35 ? 4.345 1.367 35.624 1.00 54.76 0 A 1 -ATOM 271 C CG1 . VAL A 1 35 ? 3.464 0.436 36.471 1.00 56.65 0 A 1 -ATOM 272 C CG2 . VAL A 1 35 ? 3.508 2.415 34.905 1.00 59.30 0 A 1 -ATOM 273 N N . GLU A 1 36 ? 4.677 2.035 38.820 1.00 55.74 0 A 1 -ATOM 274 C CA . GLU A 1 36 ? 4.078 2.572 40.039 1.00 59.48 0 A 1 -ATOM 275 C C . GLU A 1 36 ? 4.960 3.681 40.599 1.00 56.13 0 A 1 -ATOM 276 O O . GLU A 1 36 ? 4.495 4.800 40.823 1.00 56.46 0 A 1 -ATOM 277 C CB . GLU A 1 36 ? 3.948 1.473 41.092 1.00 67.77 0 A 1 -ATOM 278 C CG . GLU A 1 36 ? 3.445 0.142 40.565 1.00 76.47 0 A 1 -ATOM 279 C CD . GLU A 1 36 ? 4.198 -1.038 41.164 1.00 82.46 0 A 1 -ATOM 280 O OE1 . GLU A 1 36 ? 4.757 -0.902 42.277 1.00 85.41 0 A 1 -ATOM 281 O OE2 . GLU A 1 36 ? 4.238 -2.105 40.518 1.00 85.68 0 A 1 -ATOM 282 N N . THR A 1 37 ? 6.232 3.355 40.828 1.00 51.46 0 A 1 -ATOM 283 C CA . THR A 1 37 ? 7.204 4.305 41.364 1.00 45.60 0 A 1 -ATOM 284 C C . THR A 1 37 ? 7.276 5.562 40.490 1.00 44.79 0 A 1 -ATOM 285 O O . THR A 1 37 ? 7.340 6.681 41.003 1.00 45.62 0 A 1 -ATOM 286 C CB . THR A 1 37 ? 8.615 3.672 41.447 1.00 44.50 0 A 1 -ATOM 287 C CG2 . THR A 1 37 ? 9.544 4.536 42.290 1.00 37.84 0 A 1 -ATOM 288 O OG1 . THR A 1 37 ? 8.528 2.371 42.040 1.00 41.82 0 A 1 -ATOM 289 N N . TRP A 1 38 ? 7.239 5.364 39.172 1.00 40.28 0 A 1 -ATOM 290 C CA . TRP A 1 38 ? 7.305 6.459 38.203 1.00 40.08 0 A 1 -ATOM 291 C C . TRP A 1 38 ? 6.096 7.393 38.300 1.00 47.98 0 A 1 -ATOM 292 O O . TRP A 1 38 ? 6.249 8.617 38.278 1.00 49.08 0 A 1 -ATOM 293 C CB . TRP A 1 38 ? 7.428 5.896 36.780 1.00 31.25 0 A 1 -ATOM 294 C CG . TRP A 1 38 ? 7.661 6.931 35.701 1.00 30.98 0 A 1 -ATOM 295 C CD1 . TRP A 1 38 ? 6.790 7.298 34.715 1.00 30.41 0 A 1 -ATOM 296 C CD2 . TRP A 1 38 ? 8.859 7.693 35.485 1.00 26.47 0 A 1 -ATOM 297 C CE2 . TRP A 1 38 ? 8.638 8.498 34.344 1.00 26.96 0 A 1 -ATOM 298 C CE3 . TRP A 1 38 ? 10.097 7.773 36.138 1.00 22.72 0 A 1 -ATOM 299 N NE1 . TRP A 1 38 ? 7.369 8.235 33.897 1.00 28.08 0 A 1 -ATOM 300 C CZ2 . TRP A 1 38 ? 9.611 9.372 33.842 1.00 20.94 0 A 1 -ATOM 301 C CZ3 . TRP A 1 38 ? 11.065 8.641 35.639 1.00 20.39 0 A 1 -ATOM 302 C CH2 . TRP A 1 38 ? 10.813 9.429 34.501 1.00 19.14 0 A 1 -ATOM 303 N N . GLN A 1 39 ? 4.902 6.813 38.421 1.00 52.93 0 A 1 -ATOM 304 C CA . GLN A 1 39 ? 3.676 7.599 38.523 1.00 54.31 0 A 1 -ATOM 305 C C . GLN A 1 39 ? 3.551 8.367 39.836 1.00 55.37 0 A 1 -ATOM 306 O O . GLN A 1 39 ? 2.690 9.236 39.972 1.00 58.81 0 A 1 -ATOM 307 C CB . GLN A 1 39 ? 2.456 6.715 38.288 1.00 53.82 0 A 1 -ATOM 308 C CG . GLN A 1 39 ? 2.354 6.233 36.850 1.00 57.70 0 A 1 -ATOM 309 C CD . GLN A 1 39 ? 1.292 5.173 36.648 1.00 62.90 0 A 1 -ATOM 310 N NE2 . GLN A 1 39 ? 0.943 4.922 35.392 1.00 61.57 0 A 1 -ATOM 311 O OE1 . GLN A 1 39 ? 0.797 4.578 37.607 1.00 64.12 0 A 1 -ATOM 312 N N . GLU A 1 40 ? 4.421 8.053 40.795 1.00 55.83 0 A 1 -ATOM 313 C CA . GLU A 1 40 ? 4.428 8.743 42.080 1.00 56.23 0 A 1 -ATOM 314 C C . GLU A 1 40 ? 4.853 10.200 41.834 1.00 55.90 0 A 1 -ATOM 315 O O . GLU A 1 40 ? 4.470 11.100 42.581 1.00 57.28 0 A 1 -ATOM 316 C CB . GLU A 1 40 ? 5.373 8.031 43.054 1.00 54.56 0 A 1 -ATOM 317 C CG . GLU A 1 40 ? 5.412 8.617 44.451 1.00 56.26 0 A 1 -ATOM 318 C CD . GLU A 1 40 ? 6.628 9.486 44.674 1.00 59.52 0 A 1 -ATOM 319 O OE1 . GLU A 1 40 ? 7.700 8.924 44.984 1.00 63.51 0 A 1 -ATOM 320 O OE2 . GLU A 1 40 ? 6.517 10.723 44.528 1.00 64.99 0 A 1 -ATOM 321 N N . GLY A 1 41 ? 5.649 10.415 40.783 1.00 53.72 0 A 1 -ATOM 322 C CA . GLY A 1 41 ? 6.069 11.757 40.415 1.00 50.20 0 A 1 -ATOM 323 C C . GLY A 1 41 ? 7.438 12.310 40.773 1.00 47.39 0 A 1 -ATOM 324 O O . GLY A 1 41 ? 8.028 13.035 39.974 1.00 47.83 0 A 1 -ATOM 325 N N . SER A 1 42 ? 7.949 11.983 41.955 1.00 47.38 0 A 1 -ATOM 326 C CA . SER A 1 42 ? 9.241 12.506 42.405 1.00 48.92 0 A 1 -ATOM 327 C C . SER A 1 42 ? 10.445 12.287 41.484 1.00 44.77 0 A 1 -ATOM 328 O O . SER A 1 42 ? 11.182 13.233 41.205 1.00 45.99 0 A 1 -ATOM 329 C CB . SER A 1 42 ? 9.560 12.000 43.812 1.00 52.32 0 A 1 -ATOM 330 O OG . SER A 1 42 ? 9.633 10.588 43.833 1.00 58.12 0 A 1 -ATOM 331 N N . LEU A 1 43 ? 10.649 11.053 41.023 1.00 42.84 0 A 1 -ATOM 332 C CA . LEU A 1 43 ? 11.777 10.738 40.141 1.00 39.02 0 A 1 -ATOM 333 C C . LEU A 1 43 ? 11.672 11.474 38.803 1.00 32.41 0 A 1 -ATOM 334 O O . LEU A 1 43 ? 12.646 12.074 38.344 1.00 32.28 0 A 1 -ATOM 335 C CB . LEU A 1 43 ? 11.865 9.229 39.883 1.00 40.03 0 A 1 -ATOM 336 C CG . LEU A 1 43 ? 13.242 8.567 39.694 1.00 41.34 0 A 1 -ATOM 337 C CD1 . LEU A 1 43 ? 13.109 7.457 38.677 1.00 42.89 0 A 1 -ATOM 338 C CD2 . LEU A 1 43 ? 14.315 9.549 39.246 1.00 40.07 0 A 1 -ATOM 339 N N . LYS A 1 44 ? 10.494 11.415 38.184 1.00 27.63 0 A 1 -ATOM 340 C CA . LYS A 1 44 ? 10.247 12.071 36.901 1.00 31.13 0 A 1 -ATOM 341 C C . LYS A 1 44 ? 10.612 13.551 36.969 1.00 32.68 0 A 1 -ATOM 342 O O . LYS A 1 44 ? 11.250 14.086 36.062 1.00 26.79 0 A 1 -ATOM 343 C CB . LYS A 1 44 ? 8.775 11.939 36.516 1.00 29.67 0 A 1 -ATOM 344 C CG . LYS A 1 44 ? 8.460 12.409 35.105 1.00 31.53 0 A 1 -ATOM 345 C CD . LYS A 1 44 ? 6.964 12.558 34.887 1.00 27.37 0 A 1 -ATOM 346 C CE . LYS A 1 44 ? 6.572 12.269 33.444 1.00 34.09 0 A 1 -ATOM 347 N NZ . LYS A 1 44 ? 7.455 12.940 32.449 1.00 23.30 0 A 1 -ATOM 348 N N . ALA A 1 45 ? 10.226 14.189 38.071 1.00 35.90 0 A 1 -ATOM 349 C CA . ALA A 1 45 ? 10.485 15.604 38.295 1.00 34.20 0 A 1 -ATOM 350 C C . ALA A 1 45 ? 11.972 15.932 38.382 1.00 31.91 0 A 1 -ATOM 351 O O . ALA A 1 45 ? 12.385 17.032 38.017 1.00 35.00 0 A 1 -ATOM 352 C CB . ALA A 1 45 ? 9.769 16.070 39.554 1.00 39.21 0 A 1 -ATOM 353 N N . SER A 1 46 ? 12.772 14.989 38.874 1.00 30.04 0 A 1 -ATOM 354 C CA . SER A 1 46 ? 14.214 15.203 38.996 1.00 26.69 0 A 1 -ATOM 355 C C . SER A 1 46 ? 14.982 14.889 37.710 1.00 21.42 0 A 1 -ATOM 356 O O . SER A 1 46 ? 16.181 15.164 37.620 1.00 19.15 0 A 1 -ATOM 357 C CB . SER A 1 46 ? 14.785 14.382 40.150 1.00 24.78 0 A 1 -ATOM 358 O OG . SER A 1 46 ? 14.561 12.999 39.945 1.00 30.49 0 A 1 -ATOM 359 N N . CYS A 1 47 ? 14.304 14.271 36.742 1.00 17.89 0 A 1 -ATOM 360 C CA . CYS A 1 47 ? 14.919 13.937 35.454 1.00 18.12 0 A 1 -ATOM 361 C C . CYS A 1 47 ? 14.912 15.173 34.559 1.00 24.60 0 A 1 -ATOM 362 O O . CYS A 1 47 ? 13.866 15.806 34.386 1.00 18.53 0 A 1 -ATOM 363 C CB . CYS A 1 47 ? 14.152 12.808 34.760 1.00 22.03 0 A 1 -ATOM 364 S SG . CYS A 1 47 ? 14.304 11.197 35.554 1.00 18.70 0 A 1 -ATOM 365 N N . LEU A 1 48 ? 16.067 15.487 33.971 1.00 24.40 0 A 1 -ATOM 366 C CA . LEU A 1 48 ? 16.221 16.659 33.103 1.00 23.56 0 A 1 -ATOM 367 C C . LEU A 1 48 ? 15.094 16.874 32.084 1.00 27.30 0 A 1 -ATOM 368 O O . LEU A 1 48 ? 14.545 17.971 31.989 1.00 22.64 0 A 1 -ATOM 369 C CB . LEU A 1 48 ? 17.572 16.613 32.388 1.00 21.53 0 A 1 -ATOM 370 C CG . LEU A 1 48 ? 17.905 17.809 31.494 1.00 22.09 0 A 1 -ATOM 371 C CD1 . LEU A 1 48 ? 17.888 19.098 32.309 1.00 17.28 0 A 1 -ATOM 372 C CD2 . LEU A 1 48 ? 19.263 17.598 30.853 1.00 20.84 0 A 1 -ATOM 373 N N . TYR A 1 49 ? 14.754 15.834 31.326 1.00 27.07 0 A 1 -ATOM 374 C CA . TYR A 1 49 ? 13.688 15.931 30.332 1.00 19.61 0 A 1 -ATOM 375 C C . TYR A 1 49 ? 12.441 15.158 30.766 1.00 22.54 0 A 1 -ATOM 376 O O . TYR A 1 49 ? 11.530 14.928 29.961 1.00 25.71 0 A 1 -ATOM 377 C CB . TYR A 1 49 ? 14.175 15.426 28.970 1.00 11.29 0 A 1 -ATOM 378 C CG . TYR A 1 49 ? 15.371 16.179 28.427 1.00 14.21 0 A 1 -ATOM 379 C CD1 . TYR A 1 49 ? 15.281 17.531 28.084 1.00 13.87 0 A 1 -ATOM 380 C CD2 . TYR A 1 49 ? 16.596 15.538 28.252 1.00 8.76 0 A 1 -ATOM 381 C CE1 . TYR A 1 49 ? 16.391 18.223 27.578 1.00 16.10 0 A 1 -ATOM 382 C CE2 . TYR A 1 49 ? 17.707 16.215 27.748 1.00 12.58 0 A 1 -ATOM 383 C CZ . TYR A 1 49 ? 17.599 17.555 27.413 1.00 17.84 0 A 1 -ATOM 384 O OH . TYR A 1 49 ? 18.697 18.217 26.906 1.00 23.88 0 A 1 -ATOM 385 N N . GLY A 1 50 ? 12.413 14.771 32.043 1.00 23.21 0 A 1 -ATOM 386 C CA . GLY A 1 50 ? 11.288 14.033 32.598 1.00 24.88 0 A 1 -ATOM 387 C C . GLY A 1 50 ? 11.147 12.622 32.061 1.00 25.30 0 A 1 -ATOM 388 O O . GLY A 1 50 ? 10.043 12.068 32.051 1.00 24.60 0 A 1 -ATOM 389 N N . GLN A 1 51 ? 12.254 12.036 31.608 1.00 23.03 0 A 1 -ATOM 390 C CA . GLN A 1 51 ? 12.215 10.686 31.059 1.00 20.94 0 A 1 -ATOM 391 C C . GLN A 1 51 ? 13.437 9.843 31.405 1.00 20.93 0 A 1 -ATOM 392 O O . GLN A 1 51 ? 14.458 10.358 31.865 1.00 19.15 0 A 1 -ATOM 393 C CB . GLN A 1 51 ? 12.079 10.738 29.534 1.00 17.49 0 A 1 -ATOM 394 C CG . GLN A 1 51 ? 10.789 11.340 29.017 1.00 22.63 0 A 1 -ATOM 395 C CD . GLN A 1 51 ? 10.609 11.132 27.529 1.00 22.92 0 A 1 -ATOM 396 N NE2 . GLN A 1 51 ? 11.640 11.452 26.758 1.00 26.01 0 A 1 -ATOM 397 O OE1 . GLN A 1 51 ? 9.567 10.663 27.080 1.00 30.18 0 A 1 -ATOM 398 N N . LEU A 1 52 ? 13.300 8.535 31.194 1.00 24.66 0 A 1 -ATOM 399 C CA . LEU A 1 52 ? 14.378 7.575 31.417 1.00 14.22 0 A 1 -ATOM 400 C C . LEU A 1 52 ? 14.744 7.029 30.028 1.00 18.03 0 A 1 -ATOM 401 O O . LEU A 1 52 ? 13.942 7.114 29.101 1.00 17.87 0 A 1 -ATOM 402 C CB . LEU A 1 52 ? 13.906 6.449 32.346 1.00 15.86 0 A 1 -ATOM 403 C CG . LEU A 1 52 ? 13.559 6.853 33.787 1.00 18.44 0 A 1 -ATOM 404 C CD1 . LEU A 1 52 ? 13.012 5.654 34.554 1.00 16.72 0 A 1 -ATOM 405 C CD2 . LEU A 1 52 ? 14.787 7.422 34.491 1.00 16.45 0 A 1 -ATOM 406 N N . PRO A 1 53 ? 15.916 6.393 29.879 1.00 18.70 0 A 1 -ATOM 407 C CA . PRO A 1 53 ? 16.958 6.104 30.868 1.00 19.18 0 A 1 -ATOM 408 C C . PRO A 1 53 ? 17.741 7.269 31.463 1.00 22.97 0 A 1 -ATOM 409 O O . PRO A 1 53 ? 17.821 8.365 30.900 1.00 21.82 0 A 1 -ATOM 410 C CB . PRO A 1 53 ? 17.899 5.173 30.101 1.00 15.73 0 A 1 -ATOM 411 C CG . PRO A 1 53 ? 17.827 5.716 28.710 1.00 12.31 0 A 1 -ATOM 412 C CD . PRO A 1 53 ? 16.329 5.916 28.543 1.00 17.51 0 A 1 -ATOM 413 N N . LYS A 1 54 ? 18.298 6.988 32.634 1.00 16.55 0 A 1 -ATOM 414 C CA . LYS A 1 54 ? 19.153 7.896 33.370 1.00 13.11 0 A 1 -ATOM 415 C C . LYS A 1 54 ? 20.388 7.017 33.525 1.00 12.48 0 A 1 -ATOM 416 O O . LYS A 1 54 ? 20.275 5.817 33.763 1.00 15.43 0 A 1 -ATOM 417 C CB . LYS A 1 54 ? 18.557 8.225 34.736 1.00 8.45 0 A 1 -ATOM 418 C CG . LYS A 1 54 ? 19.461 9.088 35.602 1.00 16.35 0 A 1 -ATOM 419 C CD . LYS A 1 54 ? 18.866 9.289 36.976 1.00 21.38 0 A 1 -ATOM 420 C CE . LYS A 1 54 ? 19.861 9.935 37.918 1.00 29.03 0 A 1 -ATOM 421 N NZ . LYS A 1 54 ? 19.290 10.038 39.285 1.00 32.77 0 A 1 -ATOM 422 N N . PHE A 1 55 ? 21.564 7.600 33.378 1.00 14.72 0 A 1 -ATOM 423 C CA . PHE A 1 55 ? 22.793 6.830 33.465 1.00 15.51 0 A 1 -ATOM 424 C C . PHE A 1 55 ? 23.797 7.525 34.363 1.00 16.16 0 A 1 -ATOM 425 O O . PHE A 1 55 ? 23.813 8.746 34.460 1.00 13.32 0 A 1 -ATOM 426 C CB . PHE A 1 55 ? 23.367 6.672 32.056 1.00 12.80 0 A 1 -ATOM 427 C CG . PHE A 1 55 ? 24.585 5.793 31.971 1.00 15.63 0 A 1 -ATOM 428 C CD1 . PHE A 1 55 ? 24.465 4.407 31.997 1.00 13.51 0 A 1 -ATOM 429 C CD2 . PHE A 1 55 ? 25.848 6.352 31.796 1.00 15.95 0 A 1 -ATOM 430 C CE1 . PHE A 1 55 ? 25.585 3.590 31.845 1.00 14.04 0 A 1 -ATOM 431 C CE2 . PHE A 1 55 ? 26.974 5.543 31.643 1.00 16.14 0 A 1 -ATOM 432 C CZ . PHE A 1 55 ? 26.840 4.160 31.667 1.00 14.88 0 A 1 -ATOM 433 N N . GLN A 1 56 ? 24.620 6.739 35.041 1.00 23.80 0 A 1 -ATOM 434 C CA . GLN A 1 56 ? 25.636 7.294 35.912 1.00 24.68 0 A 1 -ATOM 435 C C . GLN A 1 56 ? 26.976 6.626 35.693 1.00 22.65 0 A 1 -ATOM 436 O O . GLN A 1 56 ? 27.080 5.402 35.614 1.00 24.31 0 A 1 -ATOM 437 C CB . GLN A 1 56 ? 25.212 7.189 37.379 1.00 26.69 0 A 1 -ATOM 438 C CG . GLN A 1 56 ? 24.110 8.162 37.756 1.00 26.64 0 A 1 -ATOM 439 C CD . GLN A 1 56 ? 23.567 7.936 39.146 1.00 34.87 0 A 1 -ATOM 440 N NE2 . GLN A 1 56 ? 23.039 8.992 39.750 1.00 40.91 0 A 1 -ATOM 441 O OE1 . GLN A 1 56 ? 23.592 6.820 39.662 1.00 39.45 0 A 1 -ATOM 442 N N . ASP A 1 57 ? 27.985 7.462 35.507 1.00 19.91 0 A 1 -ATOM 443 C CA . ASP A 1 57 ? 29.354 7.026 35.324 1.00 20.55 0 A 1 -ATOM 444 C C . ASP A 1 57 ? 30.075 7.835 36.396 1.00 22.53 0 A 1 -ATOM 445 O O . ASP A 1 57 ? 30.418 8.994 36.180 1.00 27.33 0 A 1 -ATOM 446 C CB . ASP A 1 57 ? 29.844 7.403 33.925 1.00 21.74 0 A 1 -ATOM 447 C CG . ASP A 1 57 ? 31.292 7.016 33.683 1.00 27.52 0 A 1 -ATOM 448 O OD1 . ASP A 1 57 ? 31.934 6.448 34.592 1.00 34.81 0 A 1 -ATOM 449 O OD2 . ASP A 1 57 ? 31.802 7.305 32.583 1.00 24.61 0 A 1 -ATOM 450 N N . GLY A 1 58 ? 30.265 7.231 37.565 1.00 23.28 0 A 1 -ATOM 451 C CA . GLY A 1 58 ? 30.895 7.942 38.660 1.00 23.67 0 A 1 -ATOM 452 C C . GLY A 1 58 ? 29.869 8.974 39.091 1.00 23.13 0 A 1 -ATOM 453 O O . GLY A 1 58 ? 28.704 8.631 39.307 1.00 22.57 0 A 1 -ATOM 454 N N . ASP A 1 59 ? 30.265 10.240 39.167 1.00 24.58 0 A 1 -ATOM 455 C CA . ASP A 1 59 ? 29.319 11.280 39.556 1.00 24.16 0 A 1 -ATOM 456 C C . ASP A 1 59 ? 28.710 11.998 38.347 1.00 24.90 0 A 1 -ATOM 457 O O . ASP A 1 59 ? 27.966 12.967 38.505 1.00 29.87 0 A 1 -ATOM 458 C CB . ASP A 1 59 ? 29.950 12.273 40.545 1.00 22.42 0 A 1 -ATOM 459 C CG . ASP A 1 59 ? 30.968 13.201 39.901 1.00 24.20 0 A 1 -ATOM 460 O OD1 . ASP A 1 59 ? 31.544 12.862 38.847 1.00 27.29 0 A 1 -ATOM 461 O OD2 . ASP A 1 59 ? 31.192 14.287 40.472 1.00 29.42 0 A 1 -ATOM 462 N N . LEU A 1 60 ? 29.027 11.512 37.145 1.00 21.82 0 A 1 -ATOM 463 C CA . LEU A 1 60 ? 28.494 12.085 35.913 1.00 19.28 0 A 1 -ATOM 464 C C . LEU A 1 60 ? 27.126 11.457 35.671 1.00 19.01 0 A 1 -ATOM 465 O O . LEU A 1 60 ? 27.011 10.243 35.526 1.00 14.88 0 A 1 -ATOM 466 C CB . LEU A 1 60 ? 29.409 11.766 34.728 1.00 20.17 0 A 1 -ATOM 467 C CG . LEU A 1 60 ? 29.465 12.720 33.524 1.00 21.45 0 A 1 -ATOM 468 C CD1 . LEU A 1 60 ? 29.646 11.916 32.249 1.00 16.79 0 A 1 -ATOM 469 C CD2 . LEU A 1 60 ? 28.221 13.580 33.425 1.00 16.92 0 A 1 -ATOM 470 N N . THR A 1 61 ? 26.090 12.288 35.654 1.00 21.90 0 A 1 -ATOM 471 C CA . THR A 1 61 ? 24.728 11.824 35.426 1.00 20.64 0 A 1 -ATOM 472 C C . THR A 1 61 ? 24.315 12.239 34.018 1.00 20.73 0 A 1 -ATOM 473 O O . THR A 1 61 ? 24.400 13.412 33.662 1.00 23.04 0 A 1 -ATOM 474 C CB . THR A 1 61 ? 23.750 12.425 36.458 1.00 18.37 0 A 1 -ATOM 475 C CG2 . THR A 1 61 ? 22.324 11.965 36.189 1.00 13.76 0 A 1 -ATOM 476 O OG1 . THR A 1 61 ? 24.142 12.018 37.774 1.00 11.79 0 A 1 -ATOM 477 N N . LEU A 1 62 ? 23.876 11.266 33.226 1.00 19.85 0 A 1 -ATOM 478 C CA . LEU A 1 62 ? 23.472 11.496 31.843 1.00 15.59 0 A 1 -ATOM 479 C C . LEU A 1 62 ? 22.042 11.063 31.553 1.00 14.82 0 A 1 -ATOM 480 O O . LEU A 1 62 ? 21.476 10.226 32.251 1.00 18.00 0 A 1 -ATOM 481 C CB . LEU A 1 62 ? 24.410 10.730 30.899 1.00 8.32 0 A 1 -ATOM 482 C CG . LEU A 1 62 ? 25.628 11.376 30.228 1.00 13.88 0 A 1 -ATOM 483 C CD1 . LEU A 1 62 ? 25.999 12.710 30.841 1.00 11.63 0 A 1 -ATOM 484 C CD2 . LEU A 1 62 ? 26.794 10.404 30.272 1.00 11.52 0 A 1 -ATOM 485 N N . TYR A 1 63 ? 21.458 11.681 30.536 1.00 19.55 0 A 1 -ATOM 486 C CA . TYR A 1 63 ? 20.116 11.356 30.068 1.00 16.45 0 A 1 -ATOM 487 C C . TYR A 1 63 ? 20.251 11.221 28.550 1.00 15.51 0 A 1 -ATOM 488 O O . TYR A 1 63 ? 21.303 11.560 27.995 1.00 11.02 0 A 1 -ATOM 489 C CB . TYR A 1 63 ? 19.116 12.453 30.432 1.00 14.93 0 A 1 -ATOM 490 C CG . TYR A 1 63 ? 18.897 12.591 31.921 1.00 17.41 0 A 1 -ATOM 491 C CD1 . TYR A 1 63 ? 17.919 11.843 32.579 1.00 15.85 0 A 1 -ATOM 492 C CD2 . TYR A 1 63 ? 19.688 13.453 32.682 1.00 15.04 0 A 1 -ATOM 493 C CE1 . TYR A 1 63 ? 17.741 11.951 33.961 1.00 15.95 0 A 1 -ATOM 494 C CE2 . TYR A 1 63 ? 19.519 13.567 34.054 1.00 15.90 0 A 1 -ATOM 495 C CZ . TYR A 1 63 ? 18.548 12.814 34.688 1.00 16.84 0 A 1 -ATOM 496 O OH . TYR A 1 63 ? 18.403 12.911 36.051 1.00 18.82 0 A 1 -ATOM 497 N N . GLN A 1 64 ? 19.210 10.705 27.893 1.00 17.75 0 A 1 -ATOM 498 C CA . GLN A 1 64 ? 19.207 10.506 26.440 1.00 14.61 0 A 1 -ATOM 499 C C . GLN A 1 64 ? 20.039 9.271 26.079 1.00 14.20 0 A 1 -ATOM 500 O O . GLN A 1 64 ? 21.266 9.262 26.226 1.00 17.72 0 A 1 -ATOM 501 C CB . GLN A 1 64 ? 19.732 11.757 25.718 1.00 19.47 0 A 1 -ATOM 502 C CG . GLN A 1 64 ? 18.864 12.999 25.915 1.00 19.81 0 A 1 -ATOM 503 C CD . GLN A 1 64 ? 17.596 12.954 25.091 1.00 19.26 0 A 1 -ATOM 504 N NE2 . GLN A 1 64 ? 16.786 13.992 25.195 1.00 18.98 0 A 1 -ATOM 505 O OE1 . GLN A 1 64 ? 17.369 12.010 24.339 1.00 26.64 0 A 1 -ATOM 506 N N . SER A 1 65 ? 19.354 8.232 25.607 1.00 14.83 0 A 1 -ATOM 507 C CA . SER A 1 65 ? 19.990 6.965 25.253 1.00 12.57 0 A 1 -ATOM 508 C C . SER A 1 65 ? 21.186 7.099 24.315 1.00 12.63 0 A 1 -ATOM 509 O O . SER A 1 65 ? 22.228 6.480 24.552 1.00 18.50 0 A 1 -ATOM 510 C CB . SER A 1 65 ? 18.962 6.000 24.665 1.00 15.98 0 A 1 -ATOM 511 O OG . SER A 1 65 ? 18.347 6.550 23.517 1.00 12.18 0 A 1 -ATOM 512 N N . ASN A 1 66 ? 21.050 7.922 23.273 1.00 11.55 0 A 1 -ATOM 513 C CA . ASN A 1 66 ? 22.142 8.122 22.315 1.00 8.97 0 A 1 -ATOM 514 C C . ASN A 1 66 ? 23.332 8.882 22.895 1.00 9.97 0 A 1 -ATOM 515 O O . ASN A 1 66 ? 24.466 8.685 22.462 1.00 11.07 0 A 1 -ATOM 516 C CB . ASN A 1 66 ? 21.634 8.801 21.040 1.00 6.70 0 A 1 -ATOM 517 C CG . ASN A 1 66 ? 20.720 7.895 20.233 1.00 8.05 0 A 1 -ATOM 518 N ND2 . ASN A 1 66 ? 19.475 8.304 20.046 1.00 12.10 0 A 1 -ATOM 519 O OD1 . ASN A 1 66 ? 21.144 6.837 19.781 1.00 11.29 0 A 1 -ATOM 520 N N . THR A 1 67 ? 23.081 9.762 23.862 1.00 9.80 0 A 1 -ATOM 521 C CA . THR A 1 67 ? 24.164 10.497 24.511 1.00 13.59 0 A 1 -ATOM 522 C C . THR A 1 67 ? 24.961 9.464 25.313 1.00 9.73 0 A 1 -ATOM 523 O O . THR A 1 67 ? 26.188 9.489 25.338 1.00 11.77 0 A 1 -ATOM 524 C CB . THR A 1 67 ? 23.628 11.586 25.453 1.00 11.02 0 A 1 -ATOM 525 C CG2 . THR A 1 67 ? 24.737 12.150 26.313 1.00 9.87 0 A 1 -ATOM 526 O OG1 . THR A 1 67 ? 23.059 12.638 24.674 1.00 13.78 0 A 1 -ATOM 527 N N . ILE A 1 68 ? 24.243 8.537 25.943 1.00 9.52 0 A 1 -ATOM 528 C CA . ILE A 1 68 ? 24.864 7.475 26.724 1.00 11.43 0 A 1 -ATOM 529 C C . ILE A 1 68 ? 25.715 6.613 25.791 1.00 11.36 0 A 1 -ATOM 530 O O . ILE A 1 68 ? 26.866 6.311 26.106 1.00 9.50 0 A 1 -ATOM 531 C CB . ILE A 1 68 ? 23.793 6.616 27.436 1.00 10.14 0 A 1 -ATOM 532 C CG1 . ILE A 1 68 ? 22.972 7.505 28.374 1.00 5.09 0 A 1 -ATOM 533 C CG2 . ILE A 1 68 ? 24.449 5.488 28.217 1.00 7.03 0 A 1 -ATOM 534 C CD1 . ILE A 1 68 ? 21.649 6.904 28.789 1.00 10.92 0 A 1 -ATOM 535 N N . LEU A 1 69 ? 25.160 6.244 24.636 1.00 11.16 0 A 1 -ATOM 536 C CA . LEU A 1 69 ? 25.890 5.439 23.655 1.00 7.77 0 A 1 -ATOM 537 C C . LEU A 1 69 ? 27.159 6.151 23.193 1.00 8.23 0 A 1 -ATOM 538 O O . LEU A 1 69 ? 28.242 5.555 23.182 1.00 11.43 0 A 1 -ATOM 539 C CB . LEU A 1 69 ? 25.009 5.117 22.444 1.00 8.98 0 A 1 -ATOM 540 C CG . LEU A 1 69 ? 24.017 3.967 22.607 1.00 9.64 0 A 1 -ATOM 541 C CD1 . LEU A 1 69 ? 23.139 3.859 21.380 1.00 9.27 0 A 1 -ATOM 542 C CD2 . LEU A 1 69 ? 24.776 2.669 22.825 1.00 10.12 0 A 1 -ATOM 543 N N . ARG A 1 70 ? 27.034 7.436 22.857 1.00 13.36 0 A 1 -ATOM 544 C CA . ARG A 1 70 ? 28.183 8.215 22.397 1.00 10.47 0 A 1 -ATOM 545 C C . ARG A 1 70 ? 29.235 8.388 23.479 1.00 13.22 0 A 1 -ATOM 546 O O . ARG A 1 70 ? 30.434 8.364 23.196 1.00 13.44 0 A 1 -ATOM 547 C CB . ARG A 1 70 ? 27.743 9.572 21.846 1.00 14.96 0 A 1 -ATOM 548 C CG . ARG A 1 70 ? 27.052 9.453 20.506 1.00 13.07 0 A 1 -ATOM 549 C CD . ARG A 1 70 ? 26.774 10.795 19.854 1.00 10.66 0 A 1 -ATOM 550 N NE . ARG A 1 70 ? 26.441 10.597 18.447 1.00 10.95 0 A 1 -ATOM 551 C CZ . ARG A 1 70 ? 25.205 10.484 17.969 1.00 10.38 0 A 1 -ATOM 552 N NH1 . ARG A 1 70 ? 24.159 10.568 18.784 1.00 10.06 0 A 1 -ATOM 553 N NH2 . ARG A 1 70 ? 25.016 10.217 16.680 1.00 14.85 0 A 1 -ATOM 554 N N . HIS A 1 71 ? 28.782 8.527 24.721 1.00 10.90 0 A 1 -ATOM 555 C CA . HIS A 1 71 ? 29.689 8.682 25.850 1.00 15.78 0 A 1 -ATOM 556 C C . HIS A 1 71 ? 30.530 7.419 26.031 1.00 14.91 0 A 1 -ATOM 557 O O . HIS A 1 71 ? 31.750 7.487 26.199 1.00 20.99 0 A 1 -ATOM 558 C CB . HIS A 1 71 ? 28.904 8.974 27.125 1.00 14.34 0 A 1 -ATOM 559 C CG . HIS A 1 71 ? 29.754 8.985 28.353 1.00 16.78 0 A 1 -ATOM 560 C CD2 . HIS A 1 71 ? 29.774 8.167 29.431 1.00 14.12 0 A 1 -ATOM 561 N ND1 . HIS A 1 71 ? 30.773 9.893 28.542 1.00 15.41 0 A 1 -ATOM 562 C CE1 . HIS A 1 71 ? 31.389 9.633 29.681 1.00 11.19 0 A 1 -ATOM 563 N NE2 . HIS A 1 71 ? 30.800 8.591 30.241 1.00 8.94 0 A 1 -ATOM 564 N N . LEU A 1 72 ? 29.861 6.269 26.017 1.00 19.30 0 A 1 -ATOM 565 C CA . LEU A 1 72 ? 30.529 4.976 26.151 1.00 16.59 0 A 1 -ATOM 566 C C . LEU A 1 72 ? 31.444 4.720 24.950 1.00 18.30 0 A 1 -ATOM 567 O O . LEU A 1 72 ? 32.557 4.215 25.109 1.00 22.34 0 A 1 -ATOM 568 C CB . LEU A 1 72 ? 29.487 3.858 26.274 1.00 12.31 0 A 1 -ATOM 569 C CG . LEU A 1 72 ? 29.079 3.354 27.668 1.00 15.77 0 A 1 -ATOM 570 C CD1 . LEU A 1 72 ? 29.458 4.336 28.757 1.00 13.70 0 A 1 -ATOM 571 C CD2 . LEU A 1 72 ? 27.586 3.061 27.692 1.00 5.95 0 A 1 -ATOM 572 N N . GLY A 1 73 ? 30.986 5.098 23.757 1.00 18.73 0 A 1 -ATOM 573 C CA . GLY A 1 73 ? 31.785 4.909 22.557 1.00 18.87 0 A 1 -ATOM 574 C C . GLY A 1 73 ? 33.052 5.737 22.606 1.00 19.72 0 A 1 -ATOM 575 O O . GLY A 1 73 ? 34.115 5.308 22.169 1.00 18.68 0 A 1 -ATOM 576 N N . ARG A 1 74 ? 32.946 6.915 23.200 1.00 24.00 0 A 1 -ATOM 577 C CA . ARG A 1 74 ? 34.077 7.821 23.322 1.00 25.02 0 A 1 -ATOM 578 C C . ARG A 1 74 ? 35.078 7.358 24.384 1.00 22.13 0 A 1 -ATOM 579 O O . ARG A 1 74 ? 36.281 7.313 24.130 1.00 21.61 0 A 1 -ATOM 580 C CB . ARG A 1 74 ? 33.551 9.217 23.650 1.00 24.98 0 A 1 -ATOM 581 C CG . ARG A 1 74 ? 34.495 10.364 23.359 1.00 27.04 0 A 1 -ATOM 582 C CD . ARG A 1 74 ? 33.688 11.611 22.990 1.00 21.06 0 A 1 -ATOM 583 N NE . ARG A 1 74 ? 32.500 11.712 23.828 1.00 19.49 0 A 1 -ATOM 584 C CZ . ARG A 1 74 ? 31.296 12.067 23.399 1.00 15.40 0 A 1 -ATOM 585 N NH1 . ARG A 1 74 ? 31.099 12.383 22.127 1.00 13.72 0 A 1 -ATOM 586 N NH2 . ARG A 1 74 ? 30.266 12.022 24.234 1.00 15.09 0 A 1 -ATOM 587 N N . THR A 1 75 ? 34.578 6.983 25.560 1.00 15.87 0 A 1 -ATOM 588 C CA . THR A 1 75 ? 35.441 6.542 26.658 1.00 21.99 0 A 1 -ATOM 589 C C . THR A 1 75 ? 36.019 5.137 26.492 1.00 21.93 0 A 1 -ATOM 590 O O . THR A 1 75 ? 37.124 4.858 26.957 1.00 24.68 0 A 1 -ATOM 591 C CB . THR A 1 75 ? 34.714 6.627 28.022 1.00 25.11 0 A 1 -ATOM 592 C CG2 . THR A 1 75 ? 34.388 8.079 28.374 1.00 18.38 0 A 1 -ATOM 593 O OG1 . THR A 1 75 ? 33.496 5.877 27.965 1.00 27.41 0 A 1 -ATOM 594 N N . LEU A 1 76 ? 35.275 4.258 25.826 1.00 20.86 0 A 1 -ATOM 595 C CA . LEU A 1 76 ? 35.714 2.880 25.608 1.00 15.43 0 A 1 -ATOM 596 C C . LEU A 1 76 ? 36.415 2.637 24.270 1.00 17.86 0 A 1 -ATOM 597 O O . LEU A 1 76 ? 36.886 1.531 24.008 1.00 20.78 0 A 1 -ATOM 598 C CB . LEU A 1 76 ? 34.533 1.921 25.761 1.00 15.27 0 A 1 -ATOM 599 C CG . LEU A 1 76 ? 34.257 1.322 27.141 1.00 12.36 0 A 1 -ATOM 600 C CD1 . LEU A 1 76 ? 34.700 2.254 28.253 1.00 13.14 0 A 1 -ATOM 601 C CD2 . LEU A 1 76 ? 32.779 0.986 27.255 1.00 10.91 0 A 1 -ATOM 602 N N . GLY A 1 77 ? 36.477 3.663 23.426 1.00 20.45 0 A 1 -ATOM 603 C CA . GLY A 1 77 ? 37.136 3.529 22.136 1.00 20.48 0 A 1 -ATOM 604 C C . GLY A 1 77 ? 36.347 2.799 21.057 1.00 19.41 0 A 1 -ATOM 605 O O . GLY A 1 77 ? 36.911 2.017 20.290 1.00 17.05 0 A 1 -ATOM 606 N N . LEU A 1 78 ? 35.043 3.050 21.004 1.00 16.20 0 A 1 -ATOM 607 C CA . LEU A 1 78 ? 34.157 2.437 20.017 1.00 12.76 0 A 1 -ATOM 608 C C . LEU A 1 78 ? 33.549 3.548 19.152 1.00 14.52 0 A 1 -ATOM 609 O O . LEU A 1 78 ? 32.349 3.542 18.875 1.00 10.30 0 A 1 -ATOM 610 C CB . LEU A 1 78 ? 33.033 1.677 20.731 1.00 12.99 0 A 1 -ATOM 611 C CG . LEU A 1 78 ? 33.385 0.763 21.909 1.00 13.16 0 A 1 -ATOM 612 C CD1 . LEU A 1 78 ? 32.114 0.167 22.472 1.00 14.45 0 A 1 -ATOM 613 C CD2 . LEU A 1 78 ? 34.336 -0.335 21.467 1.00 12.31 0 A 1 -ATOM 614 N N . TYR A 1 79 ? 34.393 4.469 18.693 1.00 18.32 0 A 1 -ATOM 615 C CA . TYR A 1 79 ? 33.939 5.612 17.899 1.00 19.08 0 A 1 -ATOM 616 C C . TYR A 1 79 ? 34.769 5.849 16.627 1.00 22.41 0 A 1 -ATOM 617 O O . TYR A 1 79 ? 34.968 6.994 16.214 1.00 24.01 0 A 1 -ATOM 618 C CB . TYR A 1 79 ? 33.999 6.862 18.789 1.00 12.16 0 A 1 -ATOM 619 C CG . TYR A 1 79 ? 32.852 7.830 18.629 1.00 11.30 0 A 1 -ATOM 620 C CD1 . TYR A 1 79 ? 32.340 8.145 17.368 1.00 10.27 0 A 1 -ATOM 621 C CD2 . TYR A 1 79 ? 32.280 8.442 19.746 1.00 10.23 0 A 1 -ATOM 622 C CE1 . TYR A 1 79 ? 31.290 9.044 17.220 1.00 11.01 0 A 1 -ATOM 623 C CE2 . TYR A 1 79 ? 31.227 9.342 19.613 1.00 6.64 0 A 1 -ATOM 624 C CZ . TYR A 1 79 ? 30.737 9.636 18.348 1.00 10.33 0 A 1 -ATOM 625 O OH . TYR A 1 79 ? 29.678 10.501 18.215 1.00 15.00 0 A 1 -ATOM 626 N N . GLY A 1 80 ? 35.227 4.770 15.998 1.00 20.27 0 A 1 -ATOM 627 C CA . GLY A 1 80 ? 36.034 4.887 14.792 1.00 16.38 0 A 1 -ATOM 628 C C . GLY A 1 80 ? 37.505 5.119 15.093 1.00 19.16 0 A 1 -ATOM 629 O O . GLY A 1 80 ? 37.863 5.471 16.216 1.00 18.11 0 A 1 -ATOM 630 N N . LYS A 1 81 ? 38.362 4.948 14.091 1.00 23.65 0 A 1 -ATOM 631 C CA . LYS A 1 81 ? 39.796 5.138 14.284 1.00 27.37 0 A 1 -ATOM 632 C C . LYS A 1 81 ? 40.212 6.598 14.102 1.00 24.21 0 A 1 -ATOM 633 O O . LYS A 1 81 ? 41.284 7.003 14.552 1.00 26.19 0 A 1 -ATOM 634 C CB . LYS A 1 81 ? 40.596 4.233 13.342 1.00 26.88 0 A 1 -ATOM 635 C CG . LYS A 1 81 ? 40.530 4.637 11.884 1.00 32.77 0 A 1 -ATOM 636 C CD . LYS A 1 81 ? 41.422 3.755 11.026 1.00 34.84 0 A 1 -ATOM 637 C CE . LYS A 1 81 ? 41.602 4.351 9.636 1.00 39.59 0 A 1 -ATOM 638 N NZ . LYS A 1 81 ? 40.302 4.551 8.932 1.00 53.83 0 A 1 -ATOM 639 N N . ASP A 1 82 ? 39.365 7.385 13.440 1.00 27.53 0 A 1 -ATOM 640 C CA . ASP A 1 82 ? 39.653 8.801 13.217 1.00 26.59 0 A 1 -ATOM 641 C C . ASP A 1 82 ? 38.375 9.620 13.058 1.00 23.41 0 A 1 -ATOM 642 O O . ASP A 1 82 ? 37.273 9.077 13.162 1.00 27.26 0 A 1 -ATOM 643 C CB . ASP A 1 82 ? 40.592 8.991 12.014 1.00 26.30 0 A 1 -ATOM 644 C CG . ASP A 1 82 ? 40.061 8.359 10.727 1.00 23.89 0 A 1 -ATOM 645 O OD1 . ASP A 1 82 ? 38.830 8.305 10.521 1.00 28.62 0 A 1 -ATOM 646 O OD2 . ASP A 1 82 ? 40.893 7.928 9.899 1.00 31.21 0 A 1 -ATOM 647 N N . GLN A 1 83 ? 38.520 10.916 12.787 1.00 18.01 0 A 1 -ATOM 648 C CA . GLN A 1 83 ? 37.363 11.800 12.634 1.00 23.83 0 A 1 -ATOM 649 C C . GLN A 1 83 ? 36.439 11.419 11.493 1.00 22.28 0 A 1 -ATOM 650 O O . GLN A 1 83 ? 35.218 11.519 11.621 1.00 22.68 0 A 1 -ATOM 651 C CB . GLN A 1 83 ? 37.800 13.254 12.480 1.00 26.61 0 A 1 -ATOM 652 C CG . GLN A 1 83 ? 38.391 13.863 13.739 1.00 27.18 0 A 1 -ATOM 653 C CD . GLN A 1 83 ? 38.797 15.314 13.549 1.00 33.40 0 A 1 -ATOM 654 N NE2 . GLN A 1 83 ? 39.201 15.667 12.330 1.00 37.74 0 A 1 -ATOM 655 O OE1 . GLN A 1 83 ? 38.739 16.112 14.488 1.00 27.84 0 A 1 -ATOM 656 N N . GLN A 1 84 ? 37.017 10.983 10.379 1.00 22.31 0 A 1 -ATOM 657 C CA . GLN A 1 84 ? 36.213 10.583 9.231 1.00 27.04 0 A 1 -ATOM 658 C C . GLN A 1 84 ? 35.293 9.425 9.614 1.00 23.86 0 A 1 -ATOM 659 O O . GLN A 1 84 ? 34.089 9.466 9.338 1.00 21.39 0 A 1 -ATOM 660 C CB . GLN A 1 84 ? 37.102 10.188 8.048 1.00 31.00 0 A 1 -ATOM 661 C CG . GLN A 1 84 ? 36.307 9.704 6.836 1.00 40.65 0 A 1 -ATOM 662 C CD . GLN A 1 84 ? 37.162 9.503 5.597 1.00 48.02 0 A 1 -ATOM 663 N NE2 . GLN A 1 84 ? 36.938 8.392 4.895 1.00 52.71 0 A 1 -ATOM 664 O OE1 . GLN A 1 84 ? 37.992 10.348 5.256 1.00 55.36 0 A 1 -ATOM 665 N N . GLU A 1 85 ? 35.860 8.413 10.273 1.00 20.99 0 A 1 -ATOM 666 C CA . GLU A 1 85 ? 35.083 7.255 10.709 1.00 18.63 0 A 1 -ATOM 667 C C . GLU A 1 85 ? 34.068 7.668 11.764 1.00 16.42 0 A 1 -ATOM 668 O O . GLU A 1 85 ? 32.944 7.169 11.765 1.00 16.75 0 A 1 -ATOM 669 C CB . GLU A 1 85 ? 35.984 6.148 11.258 1.00 20.21 0 A 1 -ATOM 670 C CG . GLU A 1 85 ? 36.903 5.533 10.221 1.00 21.72 0 A 1 -ATOM 671 C CD . GLU A 1 85 ? 37.334 4.115 10.564 1.00 23.07 0 A 1 -ATOM 672 O OE1 . GLU A 1 85 ? 37.249 3.715 11.744 1.00 19.01 0 A 1 -ATOM 673 O OE2 . GLU A 1 85 ? 37.768 3.393 9.641 1.00 26.83 0 A 1 -ATOM 674 N N . ALA A 1 86 ? 34.461 8.591 12.644 1.00 15.18 0 A 1 -ATOM 675 C CA . ALA A 1 86 ? 33.578 9.090 13.699 1.00 15.43 0 A 1 -ATOM 676 C C . ALA A 1 86 ? 32.331 9.705 13.078 1.00 12.49 0 A 1 -ATOM 677 O O . ALA A 1 86 ? 31.220 9.502 13.569 1.00 13.15 0 A 1 -ATOM 678 C CB . ALA A 1 86 ? 34.301 10.118 14.548 1.00 12.72 0 A 1 -ATOM 679 N N . ALA A 1 87 ? 32.518 10.435 11.981 1.00 11.17 0 A 1 -ATOM 680 C CA . ALA A 1 87 ? 31.406 11.066 11.279 1.00 14.12 0 A 1 -ATOM 681 C C . ALA A 1 87 ? 30.487 10.006 10.668 1.00 12.81 0 A 1 -ATOM 682 O O . ALA A 1 87 ? 29.262 10.136 10.708 1.00 13.07 0 A 1 -ATOM 683 C CB . ALA A 1 87 ? 31.933 12.003 10.194 1.00 11.65 0 A 1 -ATOM 684 N N . LEU A 1 88 ? 31.083 8.946 10.124 1.00 12.83 0 A 1 -ATOM 685 C CA . LEU A 1 88 ? 30.315 7.861 9.512 1.00 11.51 0 A 1 -ATOM 686 C C . LEU A 1 88 ? 29.525 7.075 10.557 1.00 13.02 0 A 1 -ATOM 687 O O . LEU A 1 88 ? 28.387 6.674 10.309 1.00 14.79 0 A 1 -ATOM 688 C CB . LEU A 1 88 ? 31.240 6.935 8.717 1.00 10.68 0 A 1 -ATOM 689 C CG . LEU A 1 88 ? 32.029 7.627 7.600 1.00 11.18 0 A 1 -ATOM 690 C CD1 . LEU A 1 88 ? 32.885 6.613 6.851 1.00 10.41 0 A 1 -ATOM 691 C CD2 . LEU A 1 88 ? 31.075 8.333 6.647 1.00 6.76 0 A 1 -ATOM 692 N N . VAL A 1 89 ? 30.125 6.884 11.732 1.00 11.20 0 A 1 -ATOM 693 C CA . VAL A 1 89 ? 29.477 6.172 12.837 1.00 10.83 0 A 1 -ATOM 694 C C . VAL A 1 89 ? 28.221 6.938 13.260 1.00 14.49 0 A 1 -ATOM 695 O O . VAL A 1 89 ? 27.168 6.338 13.491 1.00 13.06 0 A 1 -ATOM 696 C CB . VAL A 1 89 ? 30.437 6.024 14.048 1.00 14.37 0 A 1 -ATOM 697 C CG1 . VAL A 1 89 ? 29.708 5.422 15.235 1.00 10.83 0 A 1 -ATOM 698 C CG2 . VAL A 1 89 ? 31.630 5.154 13.674 1.00 7.93 0 A 1 -ATOM 699 N N . ASP A 1 90 ? 28.345 8.264 13.344 1.00 17.78 0 A 1 -ATOM 700 C CA . ASP A 1 90 ? 27.232 9.141 13.709 1.00 10.64 0 A 1 -ATOM 701 C C . ASP A 1 90 ? 26.126 9.050 12.666 1.00 9.62 0 A 1 -ATOM 702 O O . ASP A 1 90 ? 24.947 8.987 13.006 1.00 16.15 0 A 1 -ATOM 703 C CB . ASP A 1 90 ? 27.698 10.603 13.812 1.00 9.99 0 A 1 -ATOM 704 C CG . ASP A 1 90 ? 28.359 10.920 15.140 1.00 5.61 0 A 1 -ATOM 705 O OD1 . ASP A 1 90 ? 28.036 10.253 16.145 1.00 13.44 0 A 1 -ATOM 706 O OD2 . ASP A 1 90 ? 29.183 11.856 15.204 1.00 12.55 0 A 1 -ATOM 707 N N . MET A 1 91 ? 26.515 9.064 11.393 1.00 7.49 0 A 1 -ATOM 708 C CA . MET A 1 91 ? 25.559 8.986 10.294 1.00 11.58 0 A 1 -ATOM 709 C C . MET A 1 91 ? 24.767 7.687 10.358 1.00 9.33 0 A 1 -ATOM 710 O O . MET A 1 91 ? 23.562 7.672 10.086 1.00 12.38 0 A 1 -ATOM 711 C CB . MET A 1 91 ? 26.285 9.112 8.953 1.00 9.78 0 A 1 -ATOM 712 C CG . MET A 1 91 ? 25.365 9.077 7.742 1.00 16.04 0 A 1 -ATOM 713 S SD . MET A 1 91 ? 26.261 9.399 6.211 1.00 19.88 0 A 1 -ATOM 714 C CE . MET A 1 91 ? 27.389 7.993 6.160 1.00 29.19 0 A 1 -ATOM 715 N N . VAL A 1 92 ? 25.448 6.598 10.717 1.00 14.63 0 A 1 -ATOM 716 C CA . VAL A 1 92 ? 24.790 5.297 10.848 1.00 13.36 0 A 1 -ATOM 717 C C . VAL A 1 92 ? 23.827 5.340 12.037 1.00 11.03 0 A 1 -ATOM 718 O O . VAL A 1 92 ? 22.655 4.994 11.902 1.00 12.92 0 A 1 -ATOM 719 C CB . VAL A 1 92 ? 25.821 4.145 11.051 1.00 12.08 0 A 1 -ATOM 720 C CG1 . VAL A 1 92 ? 25.096 2.839 11.354 1.00 10.69 0 A 1 -ATOM 721 C CG2 . VAL A 1 92 ? 26.686 3.980 9.802 1.00 7.76 0 A 1 -ATOM 722 N N . ASN A 1 93 ? 24.307 5.821 13.183 1.00 12.31 0 A 1 -ATOM 723 C CA . ASN A 1 93 ? 23.479 5.900 14.382 1.00 10.00 0 A 1 -ATOM 724 C C . ASN A 1 93 ? 22.250 6.778 14.203 1.00 9.72 0 A 1 -ATOM 725 O O . ASN A 1 93 ? 21.165 6.419 14.666 1.00 15.02 0 A 1 -ATOM 726 C CB . ASN A 1 93 ? 24.288 6.373 15.595 1.00 12.15 0 A 1 -ATOM 727 C CG . ASN A 1 93 ? 23.665 5.908 16.906 1.00 14.08 0 A 1 -ATOM 728 N ND2 . ASN A 1 93 ? 23.154 6.841 17.703 1.00 10.51 0 A 1 -ATOM 729 O OD1 . ASN A 1 93 ? 23.627 4.712 17.178 1.00 13.32 0 A 1 -ATOM 730 N N . ASP A 1 94 ? 22.415 7.919 13.535 1.00 9.31 0 A 1 -ATOM 731 C CA . ASP A 1 94 ? 21.289 8.824 13.290 1.00 10.13 0 A 1 -ATOM 732 C C . ASP A 1 94 ? 20.267 8.122 12.411 1.00 7.72 0 A 1 -ATOM 733 O O . ASP A 1 94 ? 19.061 8.323 12.564 1.00 11.87 0 A 1 -ATOM 734 C CB . ASP A 1 94 ? 21.763 10.119 12.621 1.00 11.93 0 A 1 -ATOM 735 C CG . ASP A 1 94 ? 22.494 11.048 13.581 1.00 17.36 0 A 1 -ATOM 736 O OD1 . ASP A 1 94 ? 22.683 10.691 14.766 1.00 22.49 0 A 1 -ATOM 737 O OD2 . ASP A 1 94 ? 22.859 12.161 13.148 1.00 16.78 0 A 1 -ATOM 738 N N . GLY A 1 95 ? 20.761 7.293 11.493 1.00 11.46 0 A 1 -ATOM 739 C CA . GLY A 1 95 ? 19.880 6.538 10.619 1.00 11.96 0 A 1 -ATOM 740 C C . GLY A 1 95 ? 19.112 5.525 11.445 1.00 13.87 0 A 1 -ATOM 741 O O . GLY A 1 95 ? 17.902 5.384 11.295 1.00 10.04 0 A 1 -ATOM 742 N N . VAL A 1 96 ? 19.814 4.835 12.341 1.00 13.88 0 A 1 -ATOM 743 C CA . VAL A 1 96 ? 19.182 3.849 13.216 1.00 11.98 0 A 1 -ATOM 744 C C . VAL A 1 96 ? 18.107 4.531 14.072 1.00 10.88 0 A 1 -ATOM 745 O O . VAL A 1 96 ? 16.984 4.041 14.176 1.00 14.86 0 A 1 -ATOM 746 C CB . VAL A 1 96 ? 20.220 3.177 14.144 1.00 15.73 0 A 1 -ATOM 747 C CG1 . VAL A 1 96 ? 19.522 2.296 15.178 1.00 13.37 0 A 1 -ATOM 748 C CG2 . VAL A 1 96 ? 21.207 2.364 13.320 1.00 13.54 0 A 1 -ATOM 749 N N . GLU A 1 97 ? 18.453 5.686 14.638 1.00 11.49 0 A 1 -ATOM 750 C CA . GLU A 1 97 ? 17.539 6.455 15.481 1.00 13.61 0 A 1 -ATOM 751 C C . GLU A 1 97 ? 16.254 6.851 14.748 1.00 13.41 0 A 1 -ATOM 752 O O . GLU A 1 97 ? 15.164 6.790 15.326 1.00 18.49 0 A 1 -ATOM 753 C CB . GLU A 1 97 ? 18.257 7.692 16.042 1.00 11.32 0 A 1 -ATOM 754 C CG . GLU A 1 97 ? 17.372 8.657 16.838 1.00 10.63 0 A 1 -ATOM 755 C CD . GLU A 1 97 ? 16.645 8.001 18.012 1.00 14.42 0 A 1 -ATOM 756 O OE1 . GLU A 1 97 ? 17.222 7.119 18.680 1.00 11.55 0 A 1 -ATOM 757 O OE2 . GLU A 1 97 ? 15.485 8.377 18.267 1.00 17.87 0 A 1 -ATOM 758 N N . ASP A 1 98 ? 16.381 7.249 13.481 1.00 14.10 0 A 1 -ATOM 759 C CA . ASP A 1 98 ? 15.216 7.630 12.677 1.00 13.15 0 A 1 -ATOM 760 C C . ASP A 1 98 ? 14.257 6.455 12.514 1.00 9.79 0 A 1 -ATOM 761 O O . ASP A 1 98 ? 13.046 6.599 12.700 1.00 11.28 0 A 1 -ATOM 762 C CB . ASP A 1 98 ? 15.640 8.139 11.293 1.00 15.20 0 A 1 -ATOM 763 C CG . ASP A 1 98 ? 16.111 9.590 11.309 1.00 12.17 0 A 1 -ATOM 764 O OD1 . ASP A 1 98 ? 15.894 10.294 12.320 1.00 12.79 0 A 1 -ATOM 765 O OD2 . ASP A 1 98 ? 16.676 10.041 10.291 1.00 23.99 0 A 1 -ATOM 766 N N . LEU A 1 99 ? 14.799 5.290 12.166 1.00 12.65 0 A 1 -ATOM 767 C CA . LEU A 1 99 ? 13.960 4.108 12.000 1.00 15.16 0 A 1 -ATOM 768 C C . LEU A 1 99 ? 13.397 3.643 13.346 1.00 13.92 0 A 1 -ATOM 769 O O . LEU A 1 99 ? 12.263 3.173 13.420 1.00 15.05 0 A 1 -ATOM 770 C CB . LEU A 1 99 ? 14.729 2.982 11.302 1.00 13.89 0 A 1 -ATOM 771 C CG . LEU A 1 99 ? 13.939 1.700 11.014 1.00 15.66 0 A 1 -ATOM 772 C CD1 . LEU A 1 99 ? 12.600 2.021 10.370 1.00 12.79 0 A 1 -ATOM 773 C CD2 . LEU A 1 99 ? 14.759 0.792 10.119 1.00 14.29 0 A 1 -ATOM 774 N N . ARG A 1 100 ? 14.170 3.824 14.415 1.00 13.87 0 A 1 -ATOM 775 C CA . ARG A 1 100 ? 13.717 3.435 15.748 1.00 14.16 0 A 1 -ATOM 776 C C . ARG A 1 100 ? 12.487 4.256 16.153 1.00 12.03 0 A 1 -ATOM 777 O O . ARG A 1 100 ? 11.551 3.710 16.735 1.00 21.59 0 A 1 -ATOM 778 C CB . ARG A 1 100 ? 14.836 3.593 16.786 1.00 10.62 0 A 1 -ATOM 779 C CG . ARG A 1 100 ? 14.465 3.035 18.156 1.00 10.57 0 A 1 -ATOM 780 C CD . ARG A 1 100 ? 15.599 3.165 19.162 1.00 3.47 0 A 1 -ATOM 781 N NE . ARG A 1 100 ? 16.748 2.327 18.828 1.00 12.32 0 A 1 -ATOM 782 C CZ . ARG A 1 100 ? 16.822 1.019 19.057 1.00 10.19 0 A 1 -ATOM 783 N NH1 . ARG A 1 100 ? 15.807 0.373 19.621 1.00 7.16 0 A 1 -ATOM 784 N NH2 . ARG A 1 100 ? 17.923 0.354 18.732 1.00 13.11 0 A 1 -ATOM 785 N N . CYS A 1 101 ? 12.479 5.550 15.820 1.00 12.84 0 A 1 -ATOM 786 C CA . CYS A 1 101 ? 11.343 6.417 16.136 1.00 12.88 0 A 1 -ATOM 787 C C . CYS A 1 101 ? 10.089 5.953 15.421 1.00 11.94 0 A 1 -ATOM 788 O O . CYS A 1 101 ? 8.996 5.993 15.985 1.00 20.94 0 A 1 -ATOM 789 C CB . CYS A 1 101 ? 11.628 7.871 15.765 1.00 15.28 0 A 1 -ATOM 790 S SG . CYS A 1 101 ? 12.723 8.699 16.921 1.00 23.55 0 A 1 -ATOM 791 N N . LYS A 1 102 ? 10.247 5.518 14.175 1.00 12.98 0 A 1 -ATOM 792 C CA . LYS A 1 102 ? 9.113 5.028 13.400 1.00 11.80 0 A 1 -ATOM 793 C C . LYS A 1 102 ? 8.593 3.749 14.042 1.00 12.31 0 A 1 -ATOM 794 O O . LYS A 1 102 ? 7.386 3.549 14.152 1.00 16.55 0 A 1 -ATOM 795 C CB . LYS A 1 102 ? 9.528 4.764 11.956 1.00 17.38 0 A 1 -ATOM 796 C CG . LYS A 1 102 ? 9.926 6.019 11.212 1.00 27.18 0 A 1 -ATOM 797 C CD . LYS A 1 102 ? 10.355 5.710 9.800 1.00 28.92 0 A 1 -ATOM 798 C CE . LYS A 1 102 ? 10.687 6.985 9.057 1.00 33.11 0 A 1 -ATOM 799 N NZ . LYS A 1 102 ? 11.177 6.693 7.686 1.00 36.21 0 A 1 -ATOM 800 N N . TYR A 1 103 ? 9.520 2.900 14.485 1.00 9.24 0 A 1 -ATOM 801 C CA . TYR A 1 103 ? 9.180 1.640 15.140 1.00 14.65 0 A 1 -ATOM 802 C C . TYR A 1 103 ? 8.402 1.933 16.422 1.00 16.69 0 A 1 -ATOM 803 O O . TYR A 1 103 ? 7.340 1.360 16.665 1.00 22.64 0 A 1 -ATOM 804 C CB . TYR A 1 103 ? 10.458 0.853 15.466 1.00 13.23 0 A 1 -ATOM 805 C CG . TYR A 1 103 ? 10.249 -0.354 16.367 1.00 12.67 0 A 1 -ATOM 806 C CD1 . TYR A 1 103 ? 9.838 -1.583 15.845 1.00 11.48 0 A 1 -ATOM 807 C CD2 . TYR A 1 103 ? 10.462 -0.265 17.745 1.00 12.26 0 A 1 -ATOM 808 C CE1 . TYR A 1 103 ? 9.645 -2.694 16.681 1.00 17.09 0 A 1 -ATOM 809 C CE2 . TYR A 1 103 ? 10.273 -1.363 18.585 1.00 18.49 0 A 1 -ATOM 810 C CZ . TYR A 1 103 ? 9.865 -2.573 18.050 1.00 18.16 0 A 1 -ATOM 811 O OH . TYR A 1 103 ? 9.681 -3.656 18.882 1.00 11.85 0 A 1 -ATOM 812 N N . ILE A 1 104 ? 8.935 2.846 17.228 1.00 17.02 0 A 1 -ATOM 813 C CA . ILE A 1 104 ? 8.312 3.237 18.486 1.00 11.67 0 A 1 -ATOM 814 C C . ILE A 1 104 ? 6.922 3.823 18.249 1.00 15.35 0 A 1 -ATOM 815 O O . ILE A 1 104 ? 5.977 3.516 18.973 1.00 18.65 0 A 1 -ATOM 816 C CB . ILE A 1 104 ? 9.210 4.239 19.250 1.00 13.49 0 A 1 -ATOM 817 C CG1 . ILE A 1 104 ? 10.470 3.521 19.736 1.00 15.14 0 A 1 -ATOM 818 C CG2 . ILE A 1 104 ? 8.458 4.863 20.423 1.00 11.97 0 A 1 -ATOM 819 C CD1 . ILE A 1 104 ? 11.541 4.448 20.257 1.00 5.69 0 A 1 -ATOM 820 N N . SER A 1 105 ? 6.796 4.638 17.208 1.00 18.14 0 A 1 -ATOM 821 C CA . SER A 1 105 ? 5.517 5.246 16.876 1.00 19.80 0 A 1 -ATOM 822 C C . SER A 1 105 ? 4.501 4.156 16.555 1.00 18.91 0 A 1 -ATOM 823 O O . SER A 1 105 ? 3.354 4.239 16.973 1.00 21.94 0 A 1 -ATOM 824 C CB . SER A 1 105 ? 5.665 6.190 15.684 1.00 19.96 0 A 1 -ATOM 825 O OG . SER A 1 105 ? 4.436 6.833 15.401 1.00 22.52 0 A 1 -ATOM 826 N N . LEU A 1 106 ? 4.929 3.128 15.827 1.00 15.98 0 A 1 -ATOM 827 C CA . LEU A 1 106 ? 4.042 2.021 15.472 1.00 19.05 0 A 1 -ATOM 828 C C . LEU A 1 106 ? 3.581 1.263 16.716 1.00 17.47 0 A 1 -ATOM 829 O O . LEU A 1 106 ? 2.384 1.084 16.937 1.00 19.49 0 A 1 -ATOM 830 C CB . LEU A 1 106 ? 4.752 1.049 14.524 1.00 16.89 0 A 1 -ATOM 831 C CG . LEU A 1 106 ? 4.014 -0.266 14.255 1.00 24.30 0 A 1 -ATOM 832 C CD1 . LEU A 1 106 ? 2.744 -0.010 13.457 1.00 12.38 0 A 1 -ATOM 833 C CD2 . LEU A 1 106 ? 4.920 -1.225 13.515 1.00 22.23 0 A 1 -ATOM 834 N N . ILE A 1 107 ? 4.549 0.831 17.521 1.00 15.72 0 A 1 -ATOM 835 C CA . ILE A 1 107 ? 4.295 0.075 18.745 1.00 23.09 0 A 1 -ATOM 836 C C . ILE A 1 107 ? 3.351 0.758 19.738 1.00 22.75 0 A 1 -ATOM 837 O O . ILE A 1 107 ? 2.390 0.149 20.212 1.00 25.35 0 A 1 -ATOM 838 C CB . ILE A 1 107 ? 5.625 -0.253 19.465 1.00 25.26 0 A 1 -ATOM 839 C CG1 . ILE A 1 107 ? 6.497 -1.148 18.582 1.00 19.76 0 A 1 -ATOM 840 C CG2 . ILE A 1 107 ? 5.364 -0.923 20.802 1.00 25.52 0 A 1 -ATOM 841 C CD1 . ILE A 1 107 ? 5.864 -2.479 18.228 1.00 19.78 0 A 1 -ATOM 842 N N . TYR A 1 108 ? 3.608 2.031 20.018 1.00 21.63 0 A 1 -ATOM 843 C CA . TYR A 1 108 ? 2.807 2.785 20.975 1.00 22.71 0 A 1 -ATOM 844 C C . TYR A 1 108 ? 1.609 3.571 20.439 1.00 23.36 0 A 1 -ATOM 845 O O . TYR A 1 108 ? 0.682 3.856 21.189 1.00 24.40 0 A 1 -ATOM 846 C CB . TYR A 1 108 ? 3.722 3.715 21.775 1.00 21.01 0 A 1 -ATOM 847 C CG . TYR A 1 108 ? 4.720 2.979 22.647 1.00 18.74 0 A 1 -ATOM 848 C CD1 . TYR A 1 108 ? 4.365 2.515 23.915 1.00 20.42 0 A 1 -ATOM 849 C CD2 . TYR A 1 108 ? 6.025 2.749 22.208 1.00 21.62 0 A 1 -ATOM 850 C CE1 . TYR A 1 108 ? 5.295 1.837 24.731 1.00 17.64 0 A 1 -ATOM 851 C CE2 . TYR A 1 108 ? 6.956 2.076 23.008 1.00 16.73 0 A 1 -ATOM 852 C CZ . TYR A 1 108 ? 6.587 1.623 24.267 1.00 21.39 0 A 1 -ATOM 853 O OH . TYR A 1 108 ? 7.520 0.967 25.041 1.00 24.74 0 A 1 -ATOM 854 N N . THR A 1 109 ? 1.610 3.901 19.151 1.00 28.26 0 A 1 -ATOM 855 C CA . THR A 1 109 ? 0.519 4.686 18.568 1.00 31.34 0 A 1 -ATOM 856 C C . THR A 1 109 ? -0.558 3.908 17.809 1.00 33.54 0 A 1 -ATOM 857 O O . THR A 1 109 ? -1.747 4.110 18.057 1.00 30.65 0 A 1 -ATOM 858 C CB . THR A 1 109 ? 1.076 5.835 17.695 1.00 28.77 0 A 1 -ATOM 859 C CG2 . THR A 1 109 ? -0.035 6.575 16.966 1.00 37.77 0 A 1 -ATOM 860 O OG1 . THR A 1 109 ? 1.792 6.750 18.533 1.00 30.80 0 A 1 -ATOM 861 N N . ASN A 1 110 ? -0.163 3.025 16.896 1.00 31.20 0 A 1 -ATOM 862 C CA . ASN A 1 110 ? -1.148 2.257 16.138 1.00 33.49 0 A 1 -ATOM 863 C C . ASN A 1 110 ? -0.610 0.938 15.594 1.00 31.43 0 A 1 -ATOM 864 O O . ASN A 1 110 ? -0.471 0.748 14.385 1.00 31.15 0 A 1 -ATOM 865 C CB . ASN A 1 110 ? -1.760 3.113 15.016 1.00 37.66 0 A 1 -ATOM 866 C CG . ASN A 1 110 ? -0.760 3.483 13.932 1.00 44.60 0 A 1 -ATOM 867 N ND2 . ASN A 1 110 ? 0.509 3.639 14.305 1.00 45.88 0 A 1 -ATOM 868 O OD1 . ASN A 1 110 ? -1.130 3.620 12.768 1.00 46.35 0 A 1 -ATOM 869 N N . TYR A 1 111 ? -0.326 0.020 16.510 1.00 29.11 0 A 1 -ATOM 870 C CA . TYR A 1 111 ? 0.192 -1.292 16.159 1.00 28.88 0 A 1 -ATOM 871 C C . TYR A 1 111 ? -0.764 -2.088 15.271 1.00 29.41 0 A 1 -ATOM 872 O O . TYR A 1 111 ? -0.399 -2.504 14.174 1.00 29.16 0 A 1 -ATOM 873 C CB . TYR A 1 111 ? 0.503 -2.084 17.431 1.00 25.82 0 A 1 -ATOM 874 C CG . TYR A 1 111 ? 1.084 -3.453 17.167 1.00 27.76 0 A 1 -ATOM 875 C CD1 . TYR A 1 111 ? 2.460 -3.631 17.026 1.00 25.95 0 A 1 -ATOM 876 C CD2 . TYR A 1 111 ? 0.257 -4.569 17.042 1.00 25.97 0 A 1 -ATOM 877 C CE1 . TYR A 1 111 ? 2.999 -4.888 16.764 1.00 32.35 0 A 1 -ATOM 878 C CE2 . TYR A 1 111 ? 0.784 -5.827 16.779 1.00 21.03 0 A 1 -ATOM 879 C CZ . TYR A 1 111 ? 2.156 -5.980 16.640 1.00 29.01 0 A 1 -ATOM 880 O OH . TYR A 1 111 ? 2.677 -7.224 16.363 1.00 26.57 0 A 1 -ATOM 881 N N . GLU A 1 112 ? -1.989 -2.281 15.752 1.00 34.78 0 A 1 -ATOM 882 C CA . GLU A 1 112 ? -3.007 -3.045 15.032 1.00 39.41 0 A 1 -ATOM 883 C C . GLU A 1 112 ? -3.254 -2.534 13.627 1.00 37.93 0 A 1 -ATOM 884 O O . GLU A 1 112 ? -3.144 -3.283 12.656 1.00 34.97 0 A 1 -ATOM 885 C CB . GLU A 1 112 ? -4.331 -3.045 15.803 1.00 46.25 0 A 1 -ATOM 886 C CG . GLU A 1 112 ? -4.324 -3.861 17.094 1.00 60.16 0 A 1 -ATOM 887 C CD . GLU A 1 112 ? -3.417 -3.281 18.172 1.00 68.30 0 A 1 -ATOM 888 O OE1 . GLU A 1 112 ? -3.449 -2.047 18.386 1.00 69.80 0 A 1 -ATOM 889 O OE2 . GLU A 1 112 ? -2.683 -4.065 18.813 1.00 71.81 0 A 1 -ATOM 890 N N . ALA A 1 113 ? -3.564 -1.247 13.528 1.00 38.97 0 A 1 -ATOM 891 C CA . ALA A 1 113 ? -3.849 -0.616 12.250 1.00 38.90 0 A 1 -ATOM 892 C C . ALA A 1 113 ? -2.657 -0.486 11.305 1.00 35.73 0 A 1 -ATOM 893 O O . ALA A 1 113 ? -2.724 -0.928 10.161 1.00 34.40 0 A 1 -ATOM 894 C CB . ALA A 1 113 ? -4.485 0.746 12.478 1.00 35.69 0 A 1 -ATOM 895 N N . GLY A 1 114 ? -1.558 0.080 11.794 1.00 33.14 0 A 1 -ATOM 896 C CA . GLY A 1 114 ? -0.394 0.294 10.949 1.00 32.59 0 A 1 -ATOM 897 C C . GLY A 1 114 ? 0.639 -0.795 10.719 1.00 31.61 0 A 1 -ATOM 898 O O . GLY A 1 114 ? 1.560 -0.588 9.924 1.00 34.95 0 A 1 -ATOM 899 N N . LYS A 1 115 ? 0.492 -1.949 11.366 1.00 24.40 0 A 1 -ATOM 900 C CA . LYS A 1 115 ? 1.468 -3.033 11.221 1.00 26.77 0 A 1 -ATOM 901 C C . LYS A 1 115 ? 1.736 -3.496 9.788 1.00 29.74 0 A 1 -ATOM 902 O O . LYS A 1 115 ? 2.882 -3.750 9.422 1.00 35.37 0 A 1 -ATOM 903 C CB . LYS A 1 115 ? 1.077 -4.233 12.091 1.00 28.02 0 A 1 -ATOM 904 C CG . LYS A 1 115 ? 2.133 -5.332 12.151 1.00 23.76 0 A 1 -ATOM 905 C CD . LYS A 1 115 ? 1.627 -6.547 12.921 1.00 22.74 0 A 1 -ATOM 906 C CE . LYS A 1 115 ? 2.602 -7.713 12.839 1.00 23.64 0 A 1 -ATOM 907 N NZ . LYS A 1 115 ? 3.915 -7.402 13.469 1.00 33.60 0 A 1 -ATOM 908 N N . ASP A 1 116 ? 0.689 -3.584 8.975 1.00 34.44 0 A 1 -ATOM 909 C CA . ASP A 1 116 ? 0.837 -4.035 7.594 1.00 33.22 0 A 1 -ATOM 910 C C . ASP A 1 116 ? 1.599 -3.073 6.686 1.00 25.88 0 A 1 -ATOM 911 O O . ASP A 1 116 ? 2.517 -3.485 5.975 1.00 23.26 0 A 1 -ATOM 912 C CB . ASP A 1 116 ? -0.528 -4.380 6.997 1.00 45.11 0 A 1 -ATOM 913 C CG . ASP A 1 116 ? -1.194 -5.549 7.707 1.00 51.52 0 A 1 -ATOM 914 O OD1 . ASP A 1 116 ? -0.476 -6.491 8.114 1.00 54.29 0 A 1 -ATOM 915 O OD2 . ASP A 1 116 ? -2.436 -5.529 7.847 1.00 58.73 0 A 1 -ATOM 916 N N . ASP A 1 117 ? 1.230 -1.796 6.721 1.00 29.35 0 A 1 -ATOM 917 C CA . ASP A 1 117 ? 1.897 -0.788 5.903 1.00 26.52 0 A 1 -ATOM 918 C C . ASP A 1 117 ? 3.364 -0.656 6.285 1.00 22.67 0 A 1 -ATOM 919 O O . ASP A 1 117 ? 4.231 -0.529 5.417 1.00 21.20 0 A 1 -ATOM 920 C CB . ASP A 1 117 ? 1.202 0.567 6.045 1.00 30.38 0 A 1 -ATOM 921 C CG . ASP A 1 117 ? -0.170 0.596 5.394 1.00 36.23 0 A 1 -ATOM 922 O OD1 . ASP A 1 117 ? -0.525 -0.364 4.671 1.00 35.08 0 A 1 -ATOM 923 O OD2 . ASP A 1 117 ? -0.900 1.586 5.612 1.00 40.82 0 A 1 -ATOM 924 N N . TYR A 1 118 ? 3.631 -0.700 7.589 1.00 19.95 0 A 1 -ATOM 925 C CA . TYR A 1 118 ? 4.987 -0.593 8.117 1.00 16.19 0 A 1 -ATOM 926 C C . TYR A 1 118 ? 5.884 -1.718 7.598 1.00 21.17 0 A 1 -ATOM 927 O O . TYR A 1 118 ? 7.026 -1.475 7.198 1.00 20.90 0 A 1 -ATOM 928 C CB . TYR A 1 118 ? 4.959 -0.608 9.653 1.00 14.13 0 A 1 -ATOM 929 C CG . TYR A 1 118 ? 6.302 -0.352 10.304 1.00 16.19 0 A 1 -ATOM 930 C CD1 . TYR A 1 118 ? 7.217 -1.384 10.486 1.00 16.18 0 A 1 -ATOM 931 C CD2 . TYR A 1 118 ? 6.659 0.928 10.732 1.00 15.74 0 A 1 -ATOM 932 C CE1 . TYR A 1 118 ? 8.453 -1.151 11.075 1.00 17.42 0 A 1 -ATOM 933 C CE2 . TYR A 1 118 ? 7.891 1.172 11.324 1.00 14.62 0 A 1 -ATOM 934 C CZ . TYR A 1 118 ? 8.785 0.128 11.492 1.00 17.45 0 A 1 -ATOM 935 O OH . TYR A 1 118 ? 10.010 0.352 12.079 1.00 16.68 0 A 1 -ATOM 936 N N . VAL A 1 119 ? 5.376 -2.948 7.625 1.00 26.68 0 A 1 -ATOM 937 C CA . VAL A 1 119 ? 6.144 -4.098 7.151 1.00 27.41 0 A 1 -ATOM 938 C C . VAL A 1 119 ? 6.403 -4.022 5.637 1.00 27.37 0 A 1 -ATOM 939 O O . VAL A 1 119 ? 7.460 -4.445 5.164 1.00 25.57 0 A 1 -ATOM 940 C CB . VAL A 1 119 ? 5.451 -5.433 7.529 1.00 28.54 0 A 1 -ATOM 941 C CG1 . VAL A 1 119 ? 6.251 -6.620 7.013 1.00 27.92 0 A 1 -ATOM 942 C CG2 . VAL A 1 119 ? 5.314 -5.532 9.037 1.00 22.22 0 A 1 -ATOM 943 N N . LYS A 1 120 ? 5.452 -3.460 4.890 1.00 30.82 0 A 1 -ATOM 944 C CA . LYS A 1 120 ? 5.590 -3.309 3.439 1.00 33.93 0 A 1 -ATOM 945 C C . LYS A 1 120 ? 6.695 -2.307 3.108 1.00 29.52 0 A 1 -ATOM 946 O O . LYS A 1 120 ? 7.451 -2.494 2.155 1.00 27.60 0 A 1 -ATOM 947 C CB . LYS A 1 120 ? 4.279 -2.819 2.816 1.00 40.91 0 A 1 -ATOM 948 C CG . LYS A 1 120 ? 3.118 -3.784 2.943 1.00 52.35 0 A 1 -ATOM 949 C CD . LYS A 1 120 ? 1.806 -3.093 2.601 1.00 62.16 0 A 1 -ATOM 950 C CE . LYS A 1 120 ? 0.608 -3.969 2.947 1.00 64.49 0 A 1 -ATOM 951 N NZ . LYS A 1 120 ? -0.678 -3.221 2.833 1.00 71.12 0 A 1 -ATOM 952 N N . ALA A 1 121 ? 6.782 -1.247 3.910 1.00 26.57 0 A 1 -ATOM 953 C CA . ALA A 1 121 ? 7.782 -0.198 3.716 1.00 24.50 0 A 1 -ATOM 954 C C . ALA A 1 121 ? 9.154 -0.551 4.280 1.00 20.48 0 A 1 -ATOM 955 O O . ALA A 1 121 ? 10.148 0.101 3.956 1.00 25.32 0 A 1 -ATOM 956 C CB . ALA A 1 121 ? 7.291 1.108 4.326 1.00 21.25 0 A 1 -ATOM 957 N N . LEU A 1 122 ? 9.210 -1.591 5.107 1.00 20.79 0 A 1 -ATOM 958 C CA . LEU A 1 122 ? 10.460 -2.020 5.727 1.00 20.56 0 A 1 -ATOM 959 C C . LEU A 1 122 ? 11.676 -2.186 4.810 1.00 18.57 0 A 1 -ATOM 960 O O . LEU A 1 122 ? 12.755 -1.693 5.130 1.00 26.35 0 A 1 -ATOM 961 C CB . LEU A 1 122 ? 10.252 -3.306 6.526 1.00 18.11 0 A 1 -ATOM 962 C CG . LEU A 1 122 ? 10.454 -3.225 8.038 1.00 21.41 0 A 1 -ATOM 963 C CD1 . LEU A 1 122 ? 10.569 -4.640 8.584 1.00 19.12 0 A 1 -ATOM 964 C CD2 . LEU A 1 122 ? 11.711 -2.429 8.373 1.00 10.04 0 A 1 -ATOM 965 N N . PRO A 1 123 ? 11.527 -2.896 3.672 1.00 18.53 0 A 1 -ATOM 966 C CA . PRO A 1 123 ? 12.660 -3.094 2.756 1.00 17.86 0 A 1 -ATOM 967 C C . PRO A 1 123 ? 13.358 -1.797 2.365 1.00 19.01 0 A 1 -ATOM 968 O O . PRO A 1 123 ? 14.588 -1.730 2.334 1.00 19.65 0 A 1 -ATOM 969 C CB . PRO A 1 123 ? 12.003 -3.767 1.553 1.00 19.69 0 A 1 -ATOM 970 C CG . PRO A 1 123 ? 10.920 -4.574 2.181 1.00 13.62 0 A 1 -ATOM 971 C CD . PRO A 1 123 ? 10.332 -3.600 3.176 1.00 16.52 0 A 1 -ATOM 972 N N . GLY A 1 124 ? 12.568 -0.762 2.095 1.00 16.44 0 A 1 -ATOM 973 C CA . GLY A 1 124 ? 13.130 0.523 1.720 1.00 19.77 0 A 1 -ATOM 974 C C . GLY A 1 124 ? 13.902 1.143 2.865 1.00 20.03 0 A 1 -ATOM 975 O O . GLY A 1 124 ? 14.898 1.830 2.645 1.00 22.98 0 A 1 -ATOM 976 N N . GLN A 1 125 ? 13.438 0.890 4.087 1.00 17.30 0 A 1 -ATOM 977 C CA . GLN A 1 125 ? 14.077 1.403 5.297 1.00 16.24 0 A 1 -ATOM 978 C C . GLN A 1 125 ? 15.373 0.672 5.632 1.00 15.26 0 A 1 -ATOM 979 O O . GLN A 1 125 ? 16.293 1.260 6.191 1.00 19.15 0 A 1 -ATOM 980 C CB . GLN A 1 125 ? 13.127 1.286 6.491 1.00 16.01 0 A 1 -ATOM 981 C CG . GLN A 1 125 ? 11.857 2.102 6.356 1.00 17.50 0 A 1 -ATOM 982 C CD . GLN A 1 125 ? 12.147 3.573 6.155 1.00 24.85 0 A 1 -ATOM 983 N NE2 . GLN A 1 125 ? 11.607 4.148 5.093 1.00 25.77 0 A 1 -ATOM 984 O OE1 . GLN A 1 125 ? 12.847 4.187 6.960 1.00 28.68 0 A 1 -ATOM 985 N N . LEU A 1 126 ? 15.438 -0.613 5.295 1.00 16.33 0 A 1 -ATOM 986 C CA . LEU A 1 126 ? 16.622 -1.423 5.577 1.00 17.45 0 A 1 -ATOM 987 C C . LEU A 1 126 ? 17.730 -1.341 4.530 1.00 18.14 0 A 1 -ATOM 988 O O . LEU A 1 126 ? 18.905 -1.537 4.860 1.00 25.46 0 A 1 -ATOM 989 C CB . LEU A 1 126 ? 16.220 -2.884 5.801 1.00 16.46 0 A 1 -ATOM 990 C CG . LEU A 1 126 ? 15.309 -3.130 7.005 1.00 20.15 0 A 1 -ATOM 991 C CD1 . LEU A 1 126 ? 14.871 -4.588 7.049 1.00 17.45 0 A 1 -ATOM 992 C CD2 . LEU A 1 126 ? 16.036 -2.735 8.285 1.00 14.62 0 A 1 -ATOM 993 N N . LYS A 1 127 ? 17.365 -1.054 3.278 1.00 17.93 0 A 1 -ATOM 994 C CA . LYS A 1 127 ? 18.350 -0.955 2.193 1.00 18.57 0 A 1 -ATOM 995 C C . LYS A 1 127 ? 19.580 -0.097 2.486 1.00 20.23 0 A 1 -ATOM 996 O O . LYS A 1 127 ? 20.699 -0.511 2.187 1.00 21.96 0 A 1 -ATOM 997 C CB . LYS A 1 127 ? 17.693 -0.504 0.886 1.00 25.83 0 A 1 -ATOM 998 C CG . LYS A 1 127 ? 17.200 -1.656 0.044 1.00 37.54 0 A 1 -ATOM 999 C CD . LYS A 1 127 ? 16.323 -1.193 -1.104 1.00 44.78 0 A 1 -ATOM 1000 C CE . LYS A 1 127 ? 15.743 -2.395 -1.838 1.00 50.61 0 A 1 -ATOM 1001 N NZ . LYS A 1 127 ? 14.710 -2.002 -2.834 1.00 54.16 0 A 1 -ATOM 1002 N N . PRO A 1 128 ? 19.397 1.102 3.079 1.00 21.41 0 A 1 -ATOM 1003 C CA . PRO A 1 128 ? 20.549 1.958 3.381 1.00 17.21 0 A 1 -ATOM 1004 C C . PRO A 1 128 ? 21.665 1.260 4.167 1.00 14.30 0 A 1 -ATOM 1005 O O . PRO A 1 128 ? 22.847 1.484 3.901 1.00 17.45 0 A 1 -ATOM 1006 C CB . PRO A 1 128 ? 19.920 3.089 4.189 1.00 17.18 0 A 1 -ATOM 1007 C CG . PRO A 1 128 ? 18.589 3.241 3.542 1.00 17.64 0 A 1 -ATOM 1008 C CD . PRO A 1 128 ? 18.137 1.804 3.401 1.00 16.09 0 A 1 -ATOM 1009 N N . PHE A 1 129 ? 21.293 0.394 5.109 1.00 13.97 0 A 1 -ATOM 1010 C CA . PHE A 1 129 ? 22.279 -0.313 5.927 1.00 15.11 0 A 1 -ATOM 1011 C C . PHE A 1 129 ? 22.978 -1.442 5.168 1.00 15.41 0 A 1 -ATOM 1012 O O . PHE A 1 129 ? 24.153 -1.729 5.413 1.00 16.71 0 A 1 -ATOM 1013 C CB . PHE A 1 129 ? 21.631 -0.804 7.226 1.00 14.45 0 A 1 -ATOM 1014 C CG . PHE A 1 129 ? 20.973 0.300 8.017 1.00 18.90 0 A 1 -ATOM 1015 C CD1 . PHE A 1 129 ? 21.740 1.275 8.652 1.00 19.40 0 A 1 -ATOM 1016 C CD2 . PHE A 1 129 ? 19.587 0.396 8.084 1.00 19.14 0 A 1 -ATOM 1017 C CE1 . PHE A 1 129 ? 21.133 2.330 9.337 1.00 18.63 0 A 1 -ATOM 1018 C CE2 . PHE A 1 129 ? 18.972 1.448 8.767 1.00 18.95 0 A 1 -ATOM 1019 C CZ . PHE A 1 129 ? 19.748 2.415 9.393 1.00 7.59 0 A 1 -ATOM 1020 N N . GLU A 1 130 ? 22.251 -2.068 4.243 1.00 17.31 0 A 1 -ATOM 1021 C CA . GLU A 1 130 ? 22.800 -3.126 3.398 1.00 20.93 0 A 1 -ATOM 1022 C C . GLU A 1 130 ? 23.848 -2.466 2.493 1.00 20.50 0 A 1 -ATOM 1023 O O . GLU A 1 130 ? 24.926 -3.018 2.255 1.00 20.68 0 A 1 -ATOM 1024 C CB . GLU A 1 130 ? 21.680 -3.743 2.545 1.00 18.29 0 A 1 -ATOM 1025 C CG . GLU A 1 130 ? 22.118 -4.851 1.575 1.00 21.84 0 A 1 -ATOM 1026 C CD . GLU A 1 130 ? 22.396 -6.192 2.248 1.00 22.93 0 A 1 -ATOM 1027 O OE1 . GLU A 1 130 ? 22.104 -6.336 3.453 1.00 26.14 0 A 1 -ATOM 1028 O OE2 . GLU A 1 130 ? 22.898 -7.111 1.564 1.00 23.95 0 A 1 -ATOM 1029 N N . THR A 1 131 ? 23.527 -1.256 2.031 1.00 19.13 0 A 1 -ATOM 1030 C CA . THR A 1 131 ? 24.407 -0.468 1.167 1.00 18.96 0 A 1 -ATOM 1031 C C . THR A 1 131 ? 25.690 -0.079 1.897 1.00 16.89 0 A 1 -ATOM 1032 O O . THR A 1 131 ? 26.787 -0.218 1.359 1.00 24.80 0 A 1 -ATOM 1033 C CB . THR A 1 131 ? 23.704 0.819 0.699 1.00 22.34 0 A 1 -ATOM 1034 C CG2 . THR A 1 131 ? 24.588 1.592 -0.269 1.00 24.70 0 A 1 -ATOM 1035 O OG1 . THR A 1 131 ? 22.470 0.483 0.053 1.00 21.08 0 A 1 -ATOM 1036 N N . LEU A 1 132 ? 25.540 0.438 3.115 1.00 15.24 0 A 1 -ATOM 1037 C CA . LEU A 1 132 ? 26.688 0.833 3.930 1.00 18.82 0 A 1 -ATOM 1038 C C . LEU A 1 132 ? 27.625 -0.360 4.110 1.00 23.43 0 A 1 -ATOM 1039 O O . LEU A 1 132 ? 28.840 -0.242 3.954 1.00 26.11 0 A 1 -ATOM 1040 C CB . LEU A 1 132 ? 26.218 1.335 5.299 1.00 16.26 0 A 1 -ATOM 1041 C CG . LEU A 1 132 ? 25.560 2.719 5.320 1.00 17.65 0 A 1 -ATOM 1042 C CD1 . LEU A 1 132 ? 24.784 2.930 6.608 1.00 11.78 0 A 1 -ATOM 1043 C CD2 . LEU A 1 132 ? 26.627 3.786 5.148 1.00 18.72 0 A 1 -ATOM 1044 N N . LEU A 1 133 ? 27.034 -1.515 4.398 1.00 22.15 0 A 1 -ATOM 1045 C CA . LEU A 1 133 ? 27.771 -2.755 4.595 1.00 25.34 0 A 1 -ATOM 1046 C C . LEU A 1 133 ? 28.514 -3.154 3.316 1.00 23.05 0 A 1 -ATOM 1047 O O . LEU A 1 133 ? 29.706 -3.472 3.360 1.00 27.63 0 A 1 -ATOM 1048 C CB . LEU A 1 133 ? 26.793 -3.856 5.021 1.00 21.69 0 A 1 -ATOM 1049 C CG . LEU A 1 133 ? 27.066 -4.681 6.283 1.00 23.31 0 A 1 -ATOM 1050 C CD1 . LEU A 1 133 ? 27.859 -3.901 7.312 1.00 17.10 0 A 1 -ATOM 1051 C CD2 . LEU A 1 133 ? 25.739 -5.146 6.861 1.00 14.40 0 A 1 -ATOM 1052 N N . SER A 1 134 ? 27.832 -3.081 2.172 1.00 20.70 0 A 1 -ATOM 1053 C CA . SER A 1 134 ? 28.447 -3.445 0.893 1.00 20.46 0 A 1 -ATOM 1054 C C . SER A 1 134 ? 29.633 -2.564 0.505 1.00 20.87 0 A 1 -ATOM 1055 O O . SER A 1 134 ? 30.515 -3.003 -0.237 1.00 21.25 0 A 1 -ATOM 1056 C CB . SER A 1 134 ? 27.407 -3.459 -0.236 1.00 19.60 0 A 1 -ATOM 1057 O OG . SER A 1 134 ? 26.940 -2.158 -0.544 1.00 31.77 0 A 1 -ATOM 1058 N N . GLN A 1 135 ? 29.666 -1.334 1.013 1.00 24.07 0 A 1 -ATOM 1059 C CA . GLN A 1 135 ? 30.760 -0.412 0.713 1.00 23.11 0 A 1 -ATOM 1060 C C . GLN A 1 135 ? 31.928 -0.516 1.688 1.00 21.26 0 A 1 -ATOM 1061 O O . GLN A 1 135 ? 32.943 0.159 1.517 1.00 24.65 0 A 1 -ATOM 1062 C CB . GLN A 1 135 ? 30.241 1.019 0.685 1.00 22.43 0 A 1 -ATOM 1063 C CG . GLN A 1 135 ? 29.215 1.262 -0.393 1.00 25.74 0 A 1 -ATOM 1064 C CD . GLN A 1 135 ? 28.499 2.581 -0.212 1.00 34.49 0 A 1 -ATOM 1065 N NE2 . GLN A 1 135 ? 27.625 2.907 -1.154 1.00 31.85 0 A 1 -ATOM 1066 O OE1 . GLN A 1 135 ? 28.712 3.293 0.775 1.00 35.27 0 A 1 -ATOM 1067 N N . ASN A 1 136 ? 31.780 -1.335 2.724 1.00 26.24 0 A 1 -ATOM 1068 C CA . ASN A 1 136 ? 32.832 -1.515 3.709 1.00 23.91 0 A 1 -ATOM 1069 C C . ASN A 1 136 ? 33.346 -2.952 3.680 1.00 23.19 0 A 1 -ATOM 1070 O O . ASN A 1 136 ? 32.749 -3.841 4.281 1.00 20.02 0 A 1 -ATOM 1071 C CB . ASN A 1 136 ? 32.329 -1.150 5.113 1.00 23.14 0 A 1 -ATOM 1072 C CG . ASN A 1 136 ? 33.410 -1.294 6.176 1.00 18.43 0 A 1 -ATOM 1073 N ND2 . ASN A 1 136 ? 33.001 -1.620 7.393 1.00 18.88 0 A 1 -ATOM 1074 O OD1 . ASN A 1 136 ? 34.596 -1.124 5.895 1.00 22.95 0 A 1 -ATOM 1075 N N . GLN A 1 137 ? 34.448 -3.170 2.956 1.00 30.48 0 A 1 -ATOM 1076 C CA . GLN A 1 137 ? 35.068 -4.498 2.828 1.00 35.38 0 A 1 -ATOM 1077 C C . GLN A 1 137 ? 34.067 -5.603 2.494 1.00 34.39 0 A 1 -ATOM 1078 O O . GLN A 1 137 ? 34.145 -6.708 3.036 1.00 35.83 0 A 1 -ATOM 1079 C CB . GLN A 1 137 ? 35.820 -4.858 4.109 1.00 40.71 0 A 1 -ATOM 1080 C CG . GLN A 1 137 ? 37.003 -3.968 4.421 1.00 49.70 0 A 1 -ATOM 1081 C CD . GLN A 1 137 ? 37.478 -4.127 5.853 1.00 56.20 0 A 1 -ATOM 1082 N NE2 . GLN A 1 137 ? 37.096 -3.193 6.717 1.00 63.16 0 A 1 -ATOM 1083 O OE1 . GLN A 1 137 ? 38.189 -5.084 6.172 1.00 59.11 0 A 1 -ATOM 1084 N N . GLY A 1 138 ? 33.109 -5.283 1.628 1.00 32.06 0 A 1 -ATOM 1085 C CA . GLY A 1 138 ? 32.106 -6.255 1.223 1.00 31.36 0 A 1 -ATOM 1086 C C . GLY A 1 138 ? 31.214 -6.793 2.328 1.00 27.95 0 A 1 -ATOM 1087 O O . GLY A 1 138 ? 30.678 -7.895 2.206 1.00 32.30 0 A 1 -ATOM 1088 N N . GLY A 1 139 ? 31.047 -6.021 3.399 1.00 27.76 0 A 1 -ATOM 1089 C CA . GLY A 1 139 ? 30.209 -6.447 4.509 1.00 29.62 0 A 1 -ATOM 1090 C C . GLY A 1 139 ? 30.785 -7.588 5.326 1.00 30.31 0 A 1 -ATOM 1091 O O . GLY A 1 139 ? 30.050 -8.282 6.024 1.00 32.63 0 A 1 -ATOM 1092 N N . LYS A 1 140 ? 32.102 -7.761 5.266 1.00 31.25 0 A 1 -ATOM 1093 C CA . LYS A 1 140 ? 32.778 -8.833 5.990 1.00 28.63 0 A 1 -ATOM 1094 C C . LYS A 1 140 ? 33.083 -8.498 7.449 1.00 25.10 0 A 1 -ATOM 1095 O O . LYS A 1 140 ? 33.253 -9.404 8.263 1.00 23.68 0 A 1 -ATOM 1096 C CB . LYS A 1 140 ? 34.074 -9.228 5.266 1.00 38.49 0 A 1 -ATOM 1097 C CG . LYS A 1 140 ? 33.871 -9.767 3.849 1.00 45.35 0 A 1 -ATOM 1098 C CD . LYS A 1 140 ? 33.284 -11.175 3.843 1.00 54.87 0 A 1 -ATOM 1099 C CE . LYS A 1 140 ? 34.358 -12.227 4.096 1.00 61.70 0 A 1 -ATOM 1100 N NZ . LYS A 1 140 ? 33.805 -13.614 4.138 1.00 63.75 0 A 1 -ATOM 1101 N N . THR A 1 141 ? 33.139 -7.207 7.778 1.00 22.30 0 A 1 -ATOM 1102 C CA . THR A 1 141 ? 33.442 -6.773 9.144 1.00 22.12 0 A 1 -ATOM 1103 C C . THR A 1 141 ? 32.293 -6.063 9.875 1.00 24.90 0 A 1 -ATOM 1104 O O . THR A 1 141 ? 31.255 -6.671 10.135 1.00 20.04 0 A 1 -ATOM 1105 C CB . THR A 1 141 ? 34.715 -5.896 9.192 1.00 20.16 0 A 1 -ATOM 1106 C CG2 . THR A 1 141 ? 35.956 -6.726 8.901 1.00 19.92 0 A 1 -ATOM 1107 O OG1 . THR A 1 141 ? 34.603 -4.835 8.235 1.00 24.19 0 A 1 -ATOM 1108 N N . PHE A 1 142 ? 32.481 -4.782 10.200 1.00 24.06 0 A 1 -ATOM 1109 C CA . PHE A 1 142 ? 31.481 -4.007 10.924 1.00 14.11 0 A 1 -ATOM 1110 C C . PHE A 1 142 ? 30.814 -2.954 10.043 1.00 13.22 0 A 1 -ATOM 1111 O O . PHE A 1 142 ? 31.162 -2.817 8.872 1.00 18.13 0 A 1 -ATOM 1112 C CB . PHE A 1 142 ? 32.131 -3.388 12.158 1.00 8.66 0 A 1 -ATOM 1113 C CG . PHE A 1 142 ? 32.807 -4.402 13.044 1.00 11.23 0 A 1 -ATOM 1114 C CD1 . PHE A 1 142 ? 32.062 -5.181 13.928 1.00 15.29 0 A 1 -ATOM 1115 C CD2 . PHE A 1 142 ? 34.182 -4.604 12.971 1.00 9.81 0 A 1 -ATOM 1116 C CE1 . PHE A 1 142 ? 32.677 -6.150 14.720 1.00 16.60 0 A 1 -ATOM 1117 C CE2 . PHE A 1 142 ? 34.807 -5.570 13.757 1.00 11.20 0 A 1 -ATOM 1118 C CZ . PHE A 1 142 ? 34.053 -6.343 14.634 1.00 13.77 0 A 1 -ATOM 1119 N N . ILE A 1 143 ? 29.845 -2.224 10.590 1.00 11.57 0 A 1 -ATOM 1120 C CA . ILE A 1 143 ? 29.126 -1.227 9.802 1.00 14.47 0 A 1 -ATOM 1121 C C . ILE A 1 143 ? 30.020 -0.086 9.302 1.00 13.79 0 A 1 -ATOM 1122 O O . ILE A 1 143 ? 29.805 0.444 8.211 1.00 17.62 0 A 1 -ATOM 1123 C CB . ILE A 1 143 ? 27.875 -0.687 10.560 1.00 13.56 0 A 1 -ATOM 1124 C CG1 . ILE A 1 143 ? 26.946 0.047 9.593 1.00 10.06 0 A 1 -ATOM 1125 C CG2 . ILE A 1 143 ? 28.281 0.224 11.719 1.00 8.18 0 A 1 -ATOM 1126 C CD1 . ILE A 1 143 ? 26.301 -0.847 8.546 1.00 15.67 0 A 1 -ATOM 1127 N N . VAL A 1 144 ? 31.032 0.266 10.093 1.00 15.47 0 A 1 -ATOM 1128 C CA . VAL A 1 144 ? 31.981 1.325 9.743 1.00 14.78 0 A 1 -ATOM 1129 C C . VAL A 1 144 ? 33.383 0.903 10.171 1.00 15.71 0 A 1 -ATOM 1130 O O . VAL A 1 144 ? 33.608 0.590 11.341 1.00 18.76 0 A 1 -ATOM 1131 C CB . VAL A 1 144 ? 31.644 2.669 10.449 1.00 16.32 0 A 1 -ATOM 1132 C CG1 . VAL A 1 144 ? 32.764 3.681 10.217 1.00 15.35 0 A 1 -ATOM 1133 C CG2 . VAL A 1 144 ? 30.329 3.228 9.931 1.00 11.41 0 A 1 -ATOM 1134 N N . GLY A 1 145 ? 34.316 0.884 9.223 1.00 15.97 0 A 1 -ATOM 1135 C CA . GLY A 1 145 ? 35.686 0.504 9.534 1.00 14.24 0 A 1 -ATOM 1136 C C . GLY A 1 145 ? 35.887 -0.978 9.801 1.00 16.29 0 A 1 -ATOM 1137 O O . GLY A 1 145 ? 35.046 -1.803 9.438 1.00 18.65 0 A 1 -ATOM 1138 N N . ASP A 1 146 ? 36.995 -1.316 10.456 1.00 22.54 0 A 1 -ATOM 1139 C CA . ASP A 1 146 ? 37.312 -2.709 10.761 1.00 30.65 0 A 1 -ATOM 1140 C C . ASP A 1 146 ? 37.306 -3.027 12.257 1.00 29.65 0 A 1 -ATOM 1141 O O . ASP A 1 146 ? 37.840 -4.051 12.687 1.00 28.68 0 A 1 -ATOM 1142 C CB . ASP A 1 146 ? 38.657 -3.102 10.132 1.00 37.31 0 A 1 -ATOM 1143 C CG . ASP A 1 146 ? 39.828 -2.277 10.659 1.00 43.55 0 A 1 -ATOM 1144 O OD1 . ASP A 1 146 ? 39.608 -1.262 11.360 1.00 45.41 0 A 1 -ATOM 1145 O OD2 . ASP A 1 146 ? 40.984 -2.651 10.357 1.00 49.65 0 A 1 -ATOM 1146 N N . GLN A 1 147 ? 36.707 -2.136 13.042 1.00 28.56 0 A 1 -ATOM 1147 C CA . GLN A 1 147 ? 36.601 -2.303 14.488 1.00 25.18 0 A 1 -ATOM 1148 C C . GLN A 1 147 ? 35.160 -1.956 14.863 1.00 20.70 0 A 1 -ATOM 1149 O O . GLN A 1 147 ? 34.537 -1.092 14.236 1.00 11.29 0 A 1 -ATOM 1150 C CB . GLN A 1 147 ? 37.592 -1.388 15.220 1.00 29.51 0 A 1 -ATOM 1151 C CG . GLN A 1 147 ? 37.435 0.091 14.880 1.00 46.36 0 A 1 -ATOM 1152 C CD . GLN A 1 147 ? 38.307 0.998 15.731 1.00 50.66 0 A 1 -ATOM 1153 N NE2 . GLN A 1 147 ? 37.796 1.390 16.897 1.00 48.79 0 A 1 -ATOM 1154 O OE1 . GLN A 1 147 ? 39.418 1.354 15.340 1.00 49.66 0 A 1 -ATOM 1155 N N . ILE A 1 148 ? 34.617 -2.658 15.855 1.00 22.06 0 A 1 -ATOM 1156 C CA . ILE A 1 148 ? 33.241 -2.435 16.296 1.00 21.02 0 A 1 -ATOM 1157 C C . ILE A 1 148 ? 33.045 -1.043 16.919 1.00 19.78 0 A 1 -ATOM 1158 O O . ILE A 1 148 ? 33.955 -0.495 17.541 1.00 20.36 0 A 1 -ATOM 1159 C CB . ILE A 1 148 ? 32.792 -3.554 17.276 1.00 21.27 0 A 1 -ATOM 1160 C CG1 . ILE A 1 148 ? 31.267 -3.653 17.308 1.00 17.36 0 A 1 -ATOM 1161 C CG2 . ILE A 1 148 ? 33.347 -3.305 18.673 1.00 18.05 0 A 1 -ATOM 1162 C CD1 . ILE A 1 148 ? 30.755 -4.966 17.868 1.00 11.65 0 A 1 -ATOM 1163 N N . SER A 1 149 ? 31.867 -0.463 16.710 1.00 16.67 0 A 1 -ATOM 1164 C CA . SER A 1 149 ? 31.556 0.859 17.245 1.00 11.93 0 A 1 -ATOM 1165 C C . SER A 1 149 ? 30.213 0.784 17.956 1.00 12.08 0 A 1 -ATOM 1166 O O . SER A 1 149 ? 29.525 -0.232 17.867 1.00 17.21 0 A 1 -ATOM 1167 C CB . SER A 1 149 ? 31.488 1.894 16.116 1.00 13.43 0 A 1 -ATOM 1168 O OG . SER A 1 149 ? 30.349 1.690 15.295 1.00 19.78 0 A 1 -ATOM 1169 N N . PHE A 1 150 ? 29.833 1.860 18.645 1.00 15.90 0 A 1 -ATOM 1170 C CA . PHE A 1 150 ? 28.557 1.881 19.357 1.00 14.28 0 A 1 -ATOM 1171 C C . PHE A 1 150 ? 27.379 1.783 18.396 1.00 15.07 0 A 1 -ATOM 1172 O O . PHE A 1 150 ? 26.310 1.299 18.765 1.00 18.45 0 A 1 -ATOM 1173 C CB . PHE A 1 150 ? 28.435 3.119 20.270 1.00 6.01 0 A 1 -ATOM 1174 C CG . PHE A 1 150 ? 28.325 4.432 19.531 1.00 10.24 0 A 1 -ATOM 1175 C CD1 . PHE A 1 150 ? 27.084 4.915 19.129 1.00 7.79 0 A 1 -ATOM 1176 C CD2 . PHE A 1 150 ? 29.461 5.184 19.246 1.00 11.20 0 A 1 -ATOM 1177 C CE1 . PHE A 1 150 ? 26.974 6.130 18.449 1.00 4.86 0 A 1 -ATOM 1178 C CE2 . PHE A 1 150 ? 29.363 6.401 18.566 1.00 12.43 0 A 1 -ATOM 1179 C CZ . PHE A 1 150 ? 28.115 6.875 18.167 1.00 6.22 0 A 1 -ATOM 1180 N N . ALA A 1 151 ? 27.588 2.222 17.156 1.00 14.67 0 A 1 -ATOM 1181 C CA . ALA A 1 151 ? 26.545 2.170 16.130 1.00 9.86 0 A 1 -ATOM 1182 C C . ALA A 1 151 ? 26.207 0.716 15.793 1.00 13.64 0 A 1 -ATOM 1183 O O . ALA A 1 151 ? 25.063 0.395 15.466 1.00 18.49 0 A 1 -ATOM 1184 C CB . ALA A 1 151 ? 26.991 2.923 14.873 1.00 8.29 0 A 1 -ATOM 1185 N N . ASP A 1 152 ? 27.206 -0.157 15.888 1.00 12.74 0 A 1 -ATOM 1186 C CA . ASP A 1 152 ? 27.009 -1.575 15.618 1.00 13.75 0 A 1 -ATOM 1187 C C . ASP A 1 152 ? 26.000 -2.181 16.578 1.00 15.55 0 A 1 -ATOM 1188 O O . ASP A 1 152 ? 25.059 -2.856 16.148 1.00 16.12 0 A 1 -ATOM 1189 C CB . ASP A 1 152 ? 28.335 -2.330 15.726 1.00 15.38 0 A 1 -ATOM 1190 C CG . ASP A 1 152 ? 29.198 -2.166 14.497 1.00 17.05 0 A 1 -ATOM 1191 O OD1 . ASP A 1 152 ? 28.763 -2.584 13.411 1.00 17.90 0 A 1 -ATOM 1192 O OD2 . ASP A 1 152 ? 30.310 -1.622 14.614 1.00 20.46 0 A 1 -ATOM 1193 N N . TYR A 1 153 ? 26.177 -1.910 17.873 1.00 13.19 0 A 1 -ATOM 1194 C CA . TYR A 1 153 ? 25.273 -2.436 18.901 1.00 10.85 0 A 1 -ATOM 1195 C C . TYR A 1 153 ? 23.861 -1.912 18.711 1.00 12.72 0 A 1 -ATOM 1196 O O . TYR A 1 153 ? 22.898 -2.654 18.843 1.00 12.65 0 A 1 -ATOM 1197 C CB . TYR A 1 153 ? 25.778 -2.085 20.309 1.00 11.09 0 A 1 -ATOM 1198 C CG . TYR A 1 153 ? 27.110 -2.701 20.625 1.00 15.15 0 A 1 -ATOM 1199 C CD1 . TYR A 1 153 ? 27.225 -4.070 20.886 1.00 10.58 0 A 1 -ATOM 1200 C CD2 . TYR A 1 153 ? 28.269 -1.929 20.612 1.00 12.66 0 A 1 -ATOM 1201 C CE1 . TYR A 1 153 ? 28.472 -4.652 21.122 1.00 8.48 0 A 1 -ATOM 1202 C CE2 . TYR A 1 153 ? 29.514 -2.500 20.844 1.00 10.43 0 A 1 -ATOM 1203 C CZ . TYR A 1 153 ? 29.607 -3.859 21.097 1.00 11.25 0 A 1 -ATOM 1204 O OH . TYR A 1 153 ? 30.840 -4.419 21.320 1.00 19.43 0 A 1 -ATOM 1205 N N . ASN A 1 154 ? 23.740 -0.634 18.361 1.00 13.16 0 A 1 -ATOM 1206 C CA . ASN A 1 154 ? 22.441 -0.022 18.163 1.00 11.86 0 A 1 -ATOM 1207 C C . ASN A 1 154 ? 21.757 -0.575 16.909 1.00 11.31 0 A 1 -ATOM 1208 O O . ASN A 1 154 ? 20.550 -0.830 16.913 1.00 11.43 0 A 1 -ATOM 1209 C CB . ASN A 1 154 ? 22.570 1.500 18.093 1.00 11.48 0 A 1 -ATOM 1210 C CG . ASN A 1 154 ? 21.255 2.204 18.378 1.00 14.75 0 A 1 -ATOM 1211 N ND2 . ASN A 1 154 ? 21.250 3.517 18.239 1.00 6.38 0 A 1 -ATOM 1212 O OD1 . ASN A 1 154 ? 20.266 1.567 18.750 1.00 21.70 0 A 1 -ATOM 1213 N N . LEU A 1 155 ? 22.531 -0.765 15.844 1.00 13.15 0 A 1 -ATOM 1214 C CA . LEU A 1 155 ? 21.980 -1.296 14.597 1.00 14.55 0 A 1 -ATOM 1215 C C . LEU A 1 155 ? 21.551 -2.744 14.831 1.00 14.03 0 A 1 -ATOM 1216 O O . LEU A 1 155 ? 20.461 -3.144 14.420 1.00 19.73 0 A 1 -ATOM 1217 C CB . LEU A 1 155 ? 23.015 -1.219 13.467 1.00 15.19 0 A 1 -ATOM 1218 C CG . LEU A 1 155 ? 22.609 -1.888 12.144 1.00 13.54 0 A 1 -ATOM 1219 C CD1 . LEU A 1 155 ? 21.292 -1.328 11.634 1.00 18.54 0 A 1 -ATOM 1220 C CD2 . LEU A 1 155 ? 23.708 -1.695 11.117 1.00 10.60 0 A 1 -ATOM 1221 N N . LEU A 1 156 ? 22.394 -3.507 15.529 1.00 10.91 0 A 1 -ATOM 1222 C CA . LEU A 1 156 ? 22.099 -4.907 15.840 1.00 12.78 0 A 1 -ATOM 1223 C C . LEU A 1 156 ? 20.770 -5.011 16.575 1.00 12.99 0 A 1 -ATOM 1224 O O . LEU A 1 156 ? 19.918 -5.822 16.208 1.00 16.51 0 A 1 -ATOM 1225 C CB . LEU A 1 156 ? 23.206 -5.517 16.699 1.00 14.51 0 A 1 -ATOM 1226 C CG . LEU A 1 156 ? 23.016 -6.998 17.041 1.00 14.61 0 A 1 -ATOM 1227 C CD1 . LEU A 1 156 ? 22.962 -7.831 15.764 1.00 4.81 0 A 1 -ATOM 1228 C CD2 . LEU A 1 156 ? 24.150 -7.473 17.933 1.00 12.07 0 A 1 -ATOM 1229 N N . ASP A 1 157 ? 20.591 -4.182 17.605 1.00 13.61 0 A 1 -ATOM 1230 C CA . ASP A 1 157 ? 19.346 -4.187 18.362 1.00 11.27 0 A 1 -ATOM 1231 C C . ASP A 1 157 ? 18.166 -3.885 17.443 1.00 8.71 0 A 1 -ATOM 1232 O O . ASP A 1 157 ? 17.145 -4.577 17.482 1.00 14.18 0 A 1 -ATOM 1233 C CB . ASP A 1 157 ? 19.381 -3.161 19.500 1.00 12.35 0 A 1 -ATOM 1234 C CG . ASP A 1 157 ? 18.058 -3.075 20.232 1.00 16.63 0 A 1 -ATOM 1235 O OD1 . ASP A 1 157 ? 17.627 -4.101 20.788 1.00 20.35 0 A 1 -ATOM 1236 O OD2 . ASP A 1 157 ? 17.401 -2.015 20.187 1.00 19.29 0 A 1 -ATOM 1237 N N . LEU A 1 158 ? 18.311 -2.853 16.615 1.00 8.50 0 A 1 -ATOM 1238 C CA . LEU A 1 158 ? 17.254 -2.470 15.687 1.00 12.15 0 A 1 -ATOM 1239 C C . LEU A 1 158 ? 16.878 -3.653 14.781 1.00 11.76 0 A 1 -ATOM 1240 O O . LEU A 1 158 ? 15.698 -3.948 14.591 1.00 15.38 0 A 1 -ATOM 1241 C CB . LEU A 1 158 ? 17.690 -1.268 14.840 1.00 9.73 0 A 1 -ATOM 1242 C CG . LEU A 1 158 ? 16.608 -0.654 13.942 1.00 14.65 0 A 1 -ATOM 1243 C CD1 . LEU A 1 158 ? 15.533 0.000 14.795 1.00 12.92 0 A 1 -ATOM 1244 C CD2 . LEU A 1 158 ? 17.224 0.367 13.005 1.00 16.13 0 A 1 -ATOM 1245 N N . LEU A 1 159 ? 17.882 -4.359 14.271 1.00 12.20 0 A 1 -ATOM 1246 C CA . LEU A 1 159 ? 17.638 -5.507 13.394 1.00 10.97 0 A 1 -ATOM 1247 C C . LEU A 1 159 ? 16.930 -6.650 14.124 1.00 13.12 0 A 1 -ATOM 1248 O O . LEU A 1 159 ? 15.953 -7.204 13.618 1.00 17.52 0 A 1 -ATOM 1249 C CB . LEU A 1 159 ? 18.955 -5.991 12.774 1.00 6.80 0 A 1 -ATOM 1250 C CG . LEU A 1 159 ? 19.658 -4.948 11.901 1.00 8.80 0 A 1 -ATOM 1251 C CD1 . LEU A 1 159 ? 21.008 -5.451 11.432 1.00 3.64 0 A 1 -ATOM 1252 C CD2 . LEU A 1 159 ? 18.776 -4.591 10.721 1.00 7.07 0 A 1 -ATOM 1253 N N . LEU A 1 160 ? 17.400 -6.968 15.330 1.00 15.08 0 A 1 -ATOM 1254 C CA . LEU A 1 160 ? 16.811 -8.035 16.136 1.00 14.96 0 A 1 -ATOM 1255 C C . LEU A 1 160 ? 15.341 -7.806 16.466 1.00 18.02 0 A 1 -ATOM 1256 O O . LEU A 1 160 ? 14.534 -8.729 16.347 1.00 21.87 0 A 1 -ATOM 1257 C CB . LEU A 1 160 ? 17.607 -8.239 17.430 1.00 12.66 0 A 1 -ATOM 1258 C CG . LEU A 1 160 ? 19.042 -8.755 17.277 1.00 13.90 0 A 1 -ATOM 1259 C CD1 . LEU A 1 160 ? 19.712 -8.790 18.626 1.00 14.44 0 A 1 -ATOM 1260 C CD2 . LEU A 1 160 ? 19.050 -10.140 16.648 1.00 8.80 0 A 1 -ATOM 1261 N N . ILE A 1 161 ? 14.978 -6.586 16.863 1.00 21.24 0 A 1 -ATOM 1262 C CA . ILE A 1 161 ? 13.579 -6.313 17.201 1.00 20.05 0 A 1 -ATOM 1263 C C . ILE A 1 161 ? 12.678 -6.332 15.971 1.00 17.90 0 A 1 -ATOM 1264 O O . ILE A 1 161 ? 11.464 -6.527 16.090 1.00 15.99 0 A 1 -ATOM 1265 C CB . ILE A 1 161 ? 13.388 -4.988 17.990 1.00 15.47 0 A 1 -ATOM 1266 C CG1 . ILE A 1 161 ? 13.787 -3.775 17.144 1.00 17.10 0 A 1 -ATOM 1267 C CG2 . ILE A 1 161 ? 14.181 -5.037 19.285 1.00 10.74 0 A 1 -ATOM 1268 C CD1 . ILE A 1 161 ? 13.656 -2.450 17.877 1.00 13.71 0 A 1 -ATOM 1269 N N . HIS A 1 162 ? 13.264 -6.118 14.793 1.00 17.42 0 A 1 -ATOM 1270 C CA . HIS A 1 162 ? 12.488 -6.155 13.556 1.00 20.75 0 A 1 -ATOM 1271 C C . HIS A 1 162 ? 12.280 -7.595 13.104 1.00 22.73 0 A 1 -ATOM 1272 O O . HIS A 1 162 ? 11.306 -7.896 12.420 1.00 21.43 0 A 1 -ATOM 1273 C CB . HIS A 1 162 ? 13.137 -5.315 12.459 1.00 18.62 0 A 1 -ATOM 1274 C CG . HIS A 1 162 ? 12.784 -3.864 12.537 1.00 20.28 0 A 1 -ATOM 1275 C CD2 . HIS A 1 162 ? 11.745 -3.170 12.012 1.00 14.06 0 A 1 -ATOM 1276 N ND1 . HIS A 1 162 ? 13.518 -2.955 13.265 1.00 16.29 0 A 1 -ATOM 1277 C CE1 . HIS A 1 162 ? 12.948 -1.765 13.191 1.00 14.06 0 A 1 -ATOM 1278 N NE2 . HIS A 1 162 ? 11.871 -1.872 12.435 1.00 10.82 0 A 1 -ATOM 1279 N N . GLU A 1 163 ? 13.209 -8.473 13.480 1.00 17.62 0 A 1 -ATOM 1280 C CA . GLU A 1 163 ? 13.102 -9.892 13.166 1.00 24.14 0 A 1 -ATOM 1281 C C . GLU A 1 163 ? 11.895 -10.415 13.937 1.00 21.50 0 A 1 -ATOM 1282 O O . GLU A 1 163 ? 11.157 -11.269 13.452 1.00 23.44 0 A 1 -ATOM 1283 C CB . GLU A 1 163 ? 14.359 -10.638 13.620 1.00 25.02 0 A 1 -ATOM 1284 C CG . GLU A 1 163 ? 15.385 -10.879 12.527 1.00 32.38 0 A 1 -ATOM 1285 C CD . GLU A 1 163 ? 14.896 -11.866 11.476 1.00 39.96 0 A 1 -ATOM 1286 O OE1 . GLU A 1 163 ? 14.238 -12.862 11.851 1.00 43.34 0 A 1 -ATOM 1287 O OE2 . GLU A 1 163 ? 15.162 -11.646 10.272 1.00 35.46 0 A 1 -ATOM 1288 N N . VAL A 1 164 ? 11.693 -9.871 15.134 1.00 24.17 0 A 1 -ATOM 1289 C CA . VAL A 1 164 ? 10.575 -10.255 15.984 1.00 19.93 0 A 1 -ATOM 1290 C C . VAL A 1 164 ? 9.273 -9.677 15.424 1.00 20.76 0 A 1 -ATOM 1291 O O . VAL A 1 164 ? 8.242 -10.350 15.417 1.00 26.65 0 A 1 -ATOM 1292 C CB . VAL A 1 164 ? 10.775 -9.754 17.440 1.00 22.44 0 A 1 -ATOM 1293 C CG1 . VAL A 1 164 ? 9.558 -10.094 18.297 1.00 16.14 0 A 1 -ATOM 1294 C CG2 . VAL A 1 164 ? 12.035 -10.365 18.041 1.00 14.63 0 A 1 -ATOM 1295 N N . LEU A 1 165 ? 9.330 -8.435 14.946 1.00 19.96 0 A 1 -ATOM 1296 C CA . LEU A 1 165 ? 8.154 -7.767 14.389 1.00 17.74 0 A 1 -ATOM 1297 C C . LEU A 1 165 ? 7.706 -8.388 13.066 1.00 18.72 0 A 1 -ATOM 1298 O O . LEU A 1 165 ? 6.535 -8.718 12.887 1.00 15.88 0 A 1 -ATOM 1299 C CB . LEU A 1 165 ? 8.443 -6.278 14.180 1.00 19.36 0 A 1 -ATOM 1300 C CG . LEU A 1 165 ? 7.319 -5.438 13.569 1.00 22.16 0 A 1 -ATOM 1301 C CD1 . LEU A 1 165 ? 6.193 -5.259 14.570 1.00 13.13 0 A 1 -ATOM 1302 C CD2 . LEU A 1 165 ? 7.861 -4.090 13.140 1.00 15.95 0 A 1 -ATOM 1303 N N . ALA A 1 166 ? 8.649 -8.520 12.142 1.00 18.28 0 A 1 -ATOM 1304 C CA . ALA A 1 166 ? 8.392 -9.085 10.823 1.00 17.97 0 A 1 -ATOM 1305 C C . ALA A 1 166 ? 9.403 -10.199 10.566 1.00 19.36 0 A 1 -ATOM 1306 O O . ALA A 1 166 ? 10.457 -9.967 9.973 1.00 27.25 0 A 1 -ATOM 1307 C CB . ALA A 1 166 ? 8.519 -7.999 9.758 1.00 15.80 0 A 1 -ATOM 1308 N N . PRO A 1 167 ? 9.104 -11.420 11.045 1.00 21.81 0 A 1 -ATOM 1309 C CA . PRO A 1 167 ? 9.986 -12.581 10.873 1.00 22.48 0 A 1 -ATOM 1310 C C . PRO A 1 167 ? 10.393 -12.789 9.417 1.00 25.49 0 A 1 -ATOM 1311 O O . PRO A 1 167 ? 9.550 -12.802 8.519 1.00 29.29 0 A 1 -ATOM 1312 C CB . PRO A 1 167 ? 9.124 -13.733 11.389 1.00 20.23 0 A 1 -ATOM 1313 C CG . PRO A 1 167 ? 8.316 -13.082 12.462 1.00 12.89 0 A 1 -ATOM 1314 C CD . PRO A 1 167 ? 7.894 -11.792 11.798 1.00 17.95 0 A 1 -ATOM 1315 N N . GLY A 1 168 ? 11.696 -12.906 9.190 1.00 25.81 0 A 1 -ATOM 1316 C CA . GLY A 1 168 ? 12.200 -13.110 7.847 1.00 21.82 0 A 1 -ATOM 1317 C C . GLY A 1 168 ? 12.401 -11.847 7.030 1.00 20.75 0 A 1 -ATOM 1318 O O . GLY A 1 168 ? 12.748 -11.929 5.855 1.00 21.49 0 A 1 -ATOM 1319 N N . CYS A 1 169 ? 12.193 -10.679 7.636 1.00 21.15 0 A 1 -ATOM 1320 C CA . CYS A 1 169 ? 12.371 -9.410 6.925 1.00 21.47 0 A 1 -ATOM 1321 C C . CYS A 1 169 ? 13.805 -9.218 6.419 1.00 23.12 0 A 1 -ATOM 1322 O O . CYS A 1 169 ? 14.038 -8.450 5.489 1.00 29.31 0 A 1 -ATOM 1323 C CB . CYS A 1 169 ? 11.966 -8.223 7.813 1.00 18.54 0 A 1 -ATOM 1324 S SG . CYS A 1 169 ? 12.993 -7.986 9.287 1.00 16.50 0 A 1 -ATOM 1325 N N . LEU A 1 170 ? 14.758 -9.917 7.035 1.00 21.97 0 A 1 -ATOM 1326 C CA . LEU A 1 170 ? 16.168 -9.838 6.645 1.00 19.55 0 A 1 -ATOM 1327 C C . LEU A 1 170 ? 16.587 -10.837 5.561 1.00 20.60 0 A 1 -ATOM 1328 O O . LEU A 1 170 ? 17.747 -10.845 5.142 1.00 22.79 0 A 1 -ATOM 1329 C CB . LEU A 1 170 ? 17.069 -10.023 7.868 1.00 17.85 0 A 1 -ATOM 1330 C CG . LEU A 1 170 ? 17.552 -8.773 8.608 1.00 15.57 0 A 1 -ATOM 1331 C CD1 . LEU A 1 170 ? 16.385 -7.864 8.965 1.00 7.75 0 A 1 -ATOM 1332 C CD2 . LEU A 1 170 ? 18.319 -9.194 9.853 1.00 4.59 0 A 1 -ATOM 1333 N N . ASP A 1 171 ? 15.654 -11.679 5.119 1.00 21.29 0 A 1 -ATOM 1334 C CA . ASP A 1 171 ? 15.938 -12.684 4.091 1.00 22.57 0 A 1 -ATOM 1335 C C . ASP A 1 171 ? 16.437 -12.059 2.796 1.00 25.88 0 A 1 -ATOM 1336 O O . ASP A 1 171 ? 17.368 -12.568 2.170 1.00 28.80 0 A 1 -ATOM 1337 C CB . ASP A 1 171 ? 14.692 -13.525 3.797 1.00 29.10 0 A 1 -ATOM 1338 C CG . ASP A 1 171 ? 14.366 -14.510 4.906 1.00 28.36 0 A 1 -ATOM 1339 O OD1 . ASP A 1 171 ? 15.242 -14.771 5.762 1.00 30.27 0 A 1 -ATOM 1340 O OD2 . ASP A 1 171 ? 13.229 -15.034 4.910 1.00 30.48 0 A 1 -ATOM 1341 N N . ALA A 1 172 ? 15.827 -10.941 2.416 1.00 24.73 0 A 1 -ATOM 1342 C CA . ALA A 1 172 ? 16.192 -10.225 1.198 1.00 29.00 0 A 1 -ATOM 1343 C C . ALA A 1 172 ? 17.515 -9.465 1.289 1.00 23.65 0 A 1 -ATOM 1344 O O . ALA A 1 172 ? 17.976 -8.899 0.298 1.00 23.50 0 A 1 -ATOM 1345 C CB . ALA A 1 172 ? 15.073 -9.267 0.816 1.00 32.03 0 A 1 -ATOM 1346 N N . PHE A 1 173 ? 18.133 -9.461 2.469 1.00 25.82 0 A 1 -ATOM 1347 C CA . PHE A 1 173 ? 19.388 -8.742 2.672 1.00 22.53 0 A 1 -ATOM 1348 C C . PHE A 1 173 ? 20.503 -9.646 3.186 1.00 18.15 0 A 1 -ATOM 1349 O O . PHE A 1 173 ? 20.754 -9.716 4.389 1.00 22.08 0 A 1 -ATOM 1350 C CB . PHE A 1 173 ? 19.161 -7.575 3.639 1.00 19.01 0 A 1 -ATOM 1351 C CG . PHE A 1 173 ? 18.082 -6.626 3.198 1.00 19.17 0 A 1 -ATOM 1352 C CD1 . PHE A 1 173 ? 18.353 -5.626 2.270 1.00 21.07 0 A 1 -ATOM 1353 C CD2 . PHE A 1 173 ? 16.783 -6.759 3.681 1.00 20.84 0 A 1 -ATOM 1354 C CE1 . PHE A 1 173 ? 17.346 -4.768 1.829 1.00 17.13 0 A 1 -ATOM 1355 C CE2 . PHE A 1 173 ? 15.767 -5.907 3.247 1.00 15.16 0 A 1 -ATOM 1356 C CZ . PHE A 1 173 ? 16.050 -4.911 2.317 1.00 20.57 0 A 1 -ATOM 1357 N N . PRO A 1 174 ? 21.226 -10.308 2.266 1.00 17.65 0 A 1 -ATOM 1358 C CA . PRO A 1 174 ? 22.326 -11.221 2.597 1.00 18.87 0 A 1 -ATOM 1359 C C . PRO A 1 174 ? 23.421 -10.678 3.514 1.00 18.32 0 A 1 -ATOM 1360 O O . PRO A 1 174 ? 23.911 -11.401 4.380 1.00 24.48 0 A 1 -ATOM 1361 C CB . PRO A 1 174 ? 22.867 -11.624 1.221 1.00 21.61 0 A 1 -ATOM 1362 C CG . PRO A 1 174 ? 22.428 -10.507 0.318 1.00 23.67 0 A 1 -ATOM 1363 C CD . PRO A 1 174 ? 21.052 -10.214 0.808 1.00 15.50 0 A 1 -ATOM 1364 N N . LEU A 1 175 ? 23.812 -9.421 3.320 1.00 20.19 0 A 1 -ATOM 1365 C CA . LEU A 1 175 ? 24.853 -8.810 4.147 1.00 16.90 0 A 1 -ATOM 1366 C C . LEU A 1 175 ? 24.374 -8.521 5.573 1.00 18.86 0 A 1 -ATOM 1367 O O . LEU A 1 175 ? 25.099 -8.764 6.536 1.00 23.56 0 A 1 -ATOM 1368 C CB . LEU A 1 175 ? 25.387 -7.538 3.486 1.00 19.46 0 A 1 -ATOM 1369 C CG . LEU A 1 175 ? 26.597 -7.654 2.549 1.00 24.93 0 A 1 -ATOM 1370 C CD1 . LEU A 1 175 ? 26.691 -9.025 1.906 1.00 16.40 0 A 1 -ATOM 1371 C CD2 . LEU A 1 175 ? 26.524 -6.570 1.501 1.00 10.60 0 A 1 -ATOM 1372 N N . LEU A 1 176 ? 23.151 -8.015 5.706 1.00 18.17 0 A 1 -ATOM 1373 C CA . LEU A 1 176 ? 22.601 -7.726 7.025 1.00 18.84 0 A 1 -ATOM 1374 C C . LEU A 1 176 ? 22.419 -9.024 7.810 1.00 17.79 0 A 1 -ATOM 1375 O O . LEU A 1 176 ? 22.737 -9.080 8.997 1.00 22.22 0 A 1 -ATOM 1376 C CB . LEU A 1 176 ? 21.270 -6.976 6.917 1.00 14.67 0 A 1 -ATOM 1377 C CG . LEU A 1 176 ? 21.346 -5.504 6.497 1.00 17.03 0 A 1 -ATOM 1378 C CD1 . LEU A 1 176 ? 19.948 -4.931 6.360 1.00 12.88 0 A 1 -ATOM 1379 C CD2 . LEU A 1 176 ? 22.152 -4.707 7.510 1.00 17.88 0 A 1 -ATOM 1380 N N . SER A 1 177 ? 21.942 -10.070 7.134 1.00 16.53 0 A 1 -ATOM 1381 C CA . SER A 1 177 ? 21.735 -11.376 7.763 1.00 17.49 0 A 1 -ATOM 1382 C C . SER A 1 177 ? 23.046 -11.955 8.289 1.00 19.10 0 A 1 -ATOM 1383 O O . SER A 1 177 ? 23.110 -12.438 9.423 1.00 24.24 0 A 1 -ATOM 1384 C CB . SER A 1 177 ? 21.107 -12.356 6.773 1.00 15.49 0 A 1 -ATOM 1385 O OG . SER A 1 177 ? 19.812 -11.933 6.397 1.00 24.92 0 A 1 -ATOM 1386 N N . ALA A 1 178 ? 24.087 -11.909 7.462 1.00 13.97 0 A 1 -ATOM 1387 C CA . ALA A 1 178 ? 25.392 -12.423 7.865 1.00 19.98 0 A 1 -ATOM 1388 C C . ALA A 1 178 ? 25.938 -11.572 9.010 1.00 15.98 0 A 1 -ATOM 1389 O O . ALA A 1 178 ? 26.549 -12.088 9.946 1.00 19.18 0 A 1 -ATOM 1390 C CB . ALA A 1 178 ? 26.355 -12.398 6.684 1.00 15.35 0 A 1 -ATOM 1391 N N . TYR A 1 179 ? 25.713 -10.262 8.912 1.00 19.34 0 A 1 -ATOM 1392 C CA . TYR A 1 179 ? 26.153 -9.289 9.909 1.00 13.77 0 A 1 -ATOM 1393 C C . TYR A 1 179 ? 25.547 -9.630 11.271 1.00 13.15 0 A 1 -ATOM 1394 O O . TYR A 1 179 ? 26.266 -9.713 12.269 1.00 19.66 0 A 1 -ATOM 1395 C CB . TYR A 1 179 ? 25.733 -7.889 9.447 1.00 16.41 0 A 1 -ATOM 1396 C CG . TYR A 1 179 ? 25.950 -6.759 10.430 1.00 14.15 0 A 1 -ATOM 1397 C CD1 . TYR A 1 179 ? 27.218 -6.215 10.639 1.00 13.75 0 A 1 -ATOM 1398 C CD2 . TYR A 1 179 ? 24.871 -6.191 11.106 1.00 14.80 0 A 1 -ATOM 1399 C CE1 . TYR A 1 179 ? 27.401 -5.124 11.495 1.00 16.00 0 A 1 -ATOM 1400 C CE2 . TYR A 1 179 ? 25.043 -5.108 11.961 1.00 22.35 0 A 1 -ATOM 1401 C CZ . TYR A 1 179 ? 26.306 -4.578 12.151 1.00 20.37 0 A 1 -ATOM 1402 O OH . TYR A 1 179 ? 26.461 -3.498 12.990 1.00 16.77 0 A 1 -ATOM 1403 N N . VAL A 1 180 ? 24.236 -9.866 11.291 1.00 14.44 0 A 1 -ATOM 1404 C CA . VAL A 1 180 ? 23.515 -10.225 12.511 1.00 13.14 0 A 1 -ATOM 1405 C C . VAL A 1 180 ? 24.049 -11.533 13.104 1.00 16.32 0 A 1 -ATOM 1406 O O . VAL A 1 180 ? 24.326 -11.605 14.299 1.00 20.10 0 A 1 -ATOM 1407 C CB . VAL A 1 180 ? 21.992 -10.363 12.249 1.00 18.70 0 A 1 -ATOM 1408 C CG1 . VAL A 1 180 ? 21.289 -10.990 13.449 1.00 19.49 0 A 1 -ATOM 1409 C CG2 . VAL A 1 180 ? 21.395 -9.008 11.960 1.00 16.72 0 A 1 -ATOM 1410 N N . GLY A 1 181 ? 24.214 -12.554 12.263 1.00 13.08 0 A 1 -ATOM 1411 C CA . GLY A 1 181 ? 24.720 -13.831 12.737 1.00 15.06 0 A 1 -ATOM 1412 C C . GLY A 1 181 ? 26.131 -13.720 13.288 1.00 15.30 0 A 1 -ATOM 1413 O O . GLY A 1 181 ? 26.453 -14.290 14.331 1.00 22.69 0 A 1 -ATOM 1414 N N . ARG A 1 182 ? 26.963 -12.951 12.596 1.00 19.09 0 A 1 -ATOM 1415 C CA . ARG A 1 182 ? 28.350 -12.743 12.981 1.00 20.34 0 A 1 -ATOM 1416 C C . ARG A 1 182 ? 28.482 -12.033 14.334 1.00 23.71 0 A 1 -ATOM 1417 O O . ARG A 1 182 ? 29.239 -12.474 15.204 1.00 29.48 0 A 1 -ATOM 1418 C CB . ARG A 1 182 ? 29.061 -11.936 11.895 1.00 20.24 0 A 1 -ATOM 1419 C CG . ARG A 1 182 ? 30.575 -11.862 12.029 1.00 24.56 0 A 1 -ATOM 1420 C CD . ARG A 1 182 ? 31.154 -10.905 10.993 1.00 28.95 0 A 1 -ATOM 1421 N NE . ARG A 1 182 ? 30.577 -11.137 9.675 1.00 29.43 0 A 1 -ATOM 1422 C CZ . ARG A 1 182 ? 29.982 -10.204 8.938 1.00 30.47 0 A 1 -ATOM 1423 N NH1 . ARG A 1 182 ? 29.886 -8.954 9.369 1.00 24.53 0 A 1 -ATOM 1424 N NH2 . ARG A 1 182 ? 29.424 -10.540 7.786 1.00 32.56 0 A 1 -ATOM 1425 N N . LEU A 1 183 ? 27.754 -10.931 14.507 1.00 21.93 0 A 1 -ATOM 1426 C CA . LEU A 1 183 ? 27.813 -10.182 15.762 1.00 20.84 0 A 1 -ATOM 1427 C C . LEU A 1 183 ? 27.200 -10.962 16.926 1.00 21.95 0 A 1 -ATOM 1428 O O . LEU A 1 183 ? 27.736 -10.949 18.032 1.00 17.73 0 A 1 -ATOM 1429 C CB . LEU A 1 183 ? 27.141 -8.813 15.621 1.00 16.60 0 A 1 -ATOM 1430 C CG . LEU A 1 183 ? 27.844 -7.758 14.758 1.00 21.30 0 A 1 -ATOM 1431 C CD1 . LEU A 1 183 ? 27.252 -6.391 15.057 1.00 16.93 0 A 1 -ATOM 1432 C CD2 . LEU A 1 183 ? 29.336 -7.732 15.045 1.00 20.76 0 A 1 -ATOM 1433 N N . SER A 1 184 ? 26.090 -11.650 16.661 1.00 20.77 0 A 1 -ATOM 1434 C CA . SER A 1 184 ? 25.405 -12.458 17.666 1.00 17.87 0 A 1 -ATOM 1435 C C . SER A 1 184 ? 26.284 -13.607 18.155 1.00 22.67 0 A 1 -ATOM 1436 O O . SER A 1 184 ? 25.998 -14.209 19.194 1.00 23.53 0 A 1 -ATOM 1437 C CB . SER A 1 184 ? 24.118 -13.055 17.089 1.00 15.77 0 A 1 -ATOM 1438 O OG . SER A 1 184 ? 23.195 -12.052 16.720 1.00 20.71 0 A 1 -ATOM 1439 N N . ALA A 1 185 ? 27.334 -13.917 17.395 1.00 20.11 0 A 1 -ATOM 1440 C CA . ALA A 1 185 ? 28.244 -15.008 17.733 1.00 24.80 0 A 1 -ATOM 1441 C C . ALA A 1 185 ? 29.406 -14.603 18.636 1.00 23.83 0 A 1 -ATOM 1442 O O . ALA A 1 185 ? 30.141 -15.462 19.126 1.00 25.96 0 A 1 -ATOM 1443 C CB . ALA A 1 185 ? 28.772 -15.663 16.461 1.00 20.49 0 A 1 -ATOM 1444 N N . ARG A 1 186 ? 29.591 -13.302 18.841 1.00 24.54 0 A 1 -ATOM 1445 C CA . ARG A 1 186 ? 30.670 -12.824 19.702 1.00 23.60 0 A 1 -ATOM 1446 C C . ARG A 1 186 ? 30.437 -13.421 21.092 1.00 25.71 0 A 1 -ATOM 1447 O O . ARG A 1 186 ? 29.338 -13.329 21.632 1.00 26.85 0 A 1 -ATOM 1448 C CB . ARG A 1 186 ? 30.678 -11.294 19.734 1.00 20.03 0 A 1 -ATOM 1449 C CG . ARG A 1 186 ? 30.950 -10.678 18.362 1.00 23.55 0 A 1 -ATOM 1450 C CD . ARG A 1 186 ? 30.751 -9.165 18.340 1.00 23.99 0 A 1 -ATOM 1451 N NE . ARG A 1 186 ? 31.630 -8.475 19.278 1.00 26.93 0 A 1 -ATOM 1452 C CZ . ARG A 1 186 ? 32.867 -8.070 19.000 1.00 24.96 0 A 1 -ATOM 1453 N NH1 . ARG A 1 186 ? 33.390 -8.268 17.797 1.00 14.84 0 A 1 -ATOM 1454 N NH2 . ARG A 1 186 ? 33.580 -7.452 19.929 1.00 20.88 0 A 1 -ATOM 1455 N N . PRO A 1 187 ? 31.467 -14.067 21.668 1.00 29.00 0 A 1 -ATOM 1456 C CA . PRO A 1 187 ? 31.462 -14.723 22.984 1.00 25.00 0 A 1 -ATOM 1457 C C . PRO A 1 187 ? 30.621 -14.082 24.097 1.00 21.43 0 A 1 -ATOM 1458 O O . PRO A 1 187 ? 29.605 -14.650 24.519 1.00 27.36 0 A 1 -ATOM 1459 C CB . PRO A 1 187 ? 32.944 -14.761 23.339 1.00 28.54 0 A 1 -ATOM 1460 C CG . PRO A 1 187 ? 33.573 -15.001 22.018 1.00 25.97 0 A 1 -ATOM 1461 C CD . PRO A 1 187 ? 32.836 -14.028 21.121 1.00 29.13 0 A 1 -ATOM 1462 N N . LYS A 1 188 ? 31.047 -12.910 24.567 1.00 21.27 0 A 1 -ATOM 1463 C CA . LYS A 1 188 ? 30.346 -12.198 25.636 1.00 17.31 0 A 1 -ATOM 1464 C C . LYS A 1 188 ? 28.930 -11.764 25.267 1.00 11.65 0 A 1 -ATOM 1465 O O . LYS A 1 188 ? 28.028 -11.812 26.105 1.00 15.31 0 A 1 -ATOM 1466 C CB . LYS A 1 188 ? 31.165 -10.994 26.095 1.00 17.22 0 A 1 -ATOM 1467 C CG . LYS A 1 188 ? 32.523 -11.372 26.653 1.00 22.48 0 A 1 -ATOM 1468 C CD . LYS A 1 188 ? 33.392 -10.154 26.897 1.00 26.92 0 A 1 -ATOM 1469 C CE . LYS A 1 188 ? 34.796 -10.565 27.302 1.00 28.00 0 A 1 -ATOM 1470 N NZ . LYS A 1 188 ? 34.766 -11.441 28.509 1.00 40.95 0 A 1 -ATOM 1471 N N . LEU A 1 189 ? 28.733 -11.367 24.012 1.00 17.09 0 A 1 -ATOM 1472 C CA . LEU A 1 189 ? 27.420 -10.930 23.537 1.00 17.37 0 A 1 -ATOM 1473 C C . LEU A 1 189 ? 26.445 -12.096 23.449 1.00 18.18 0 A 1 -ATOM 1474 O O . LEU A 1 189 ? 25.268 -11.956 23.786 1.00 18.77 0 A 1 -ATOM 1475 C CB . LEU A 1 189 ? 27.535 -10.271 22.160 1.00 17.30 0 A 1 -ATOM 1476 C CG . LEU A 1 189 ? 26.811 -8.942 21.938 1.00 24.75 0 A 1 -ATOM 1477 C CD1 . LEU A 1 189 ? 26.780 -8.646 20.451 1.00 17.09 0 A 1 -ATOM 1478 C CD2 . LEU A 1 189 ? 25.402 -8.982 22.493 1.00 13.56 0 A 1 -ATOM 1479 N N . LYS A 1 190 ? 26.941 -13.238 22.976 1.00 19.19 0 A 1 -ATOM 1480 C CA . LYS A 1 190 ? 26.128 -14.445 22.838 1.00 16.19 0 A 1 -ATOM 1481 C C . LYS A 1 190 ? 25.623 -14.899 24.203 1.00 12.05 0 A 1 -ATOM 1482 O O . LYS A 1 190 ? 24.449 -15.241 24.355 1.00 18.11 0 A 1 -ATOM 1483 C CB . LYS A 1 190 ? 26.936 -15.569 22.187 1.00 20.88 0 A 1 -ATOM 1484 C CG . LYS A 1 190 ? 26.124 -16.825 21.959 1.00 21.24 0 A 1 -ATOM 1485 C CD . LYS A 1 190 ? 26.974 -17.943 21.419 1.00 29.87 0 A 1 -ATOM 1486 C CE . LYS A 1 190 ? 26.130 -19.186 21.199 1.00 33.81 0 A 1 -ATOM 1487 N NZ . LYS A 1 190 ? 26.952 -20.310 20.677 1.00 40.95 0 A 1 -ATOM 1488 N N . ALA A 1 191 ? 26.522 -14.886 25.187 1.00 15.48 0 A 1 -ATOM 1489 C CA . ALA A 1 191 ? 26.197 -15.275 26.558 1.00 18.01 0 A 1 -ATOM 1490 C C . ALA A 1 191 ? 25.126 -14.342 27.125 1.00 19.74 0 A 1 -ATOM 1491 O O . ALA A 1 191 ? 24.137 -14.797 27.704 1.00 25.31 0 A 1 -ATOM 1492 C CB . ALA A 1 191 ? 27.451 -15.229 27.418 1.00 11.01 0 A 1 -ATOM 1493 N N . PHE A 1 192 ? 25.310 -13.040 26.913 1.00 22.61 0 A 1 -ATOM 1494 C CA . PHE A 1 192 ? 24.362 -12.033 27.392 1.00 16.07 0 A 1 -ATOM 1495 C C . PHE A 1 192 ? 22.983 -12.159 26.746 1.00 13.15 0 A 1 -ATOM 1496 O O . PHE A 1 192 ? 21.969 -12.084 27.434 1.00 18.82 0 A 1 -ATOM 1497 C CB . PHE A 1 192 ? 24.919 -10.616 27.172 1.00 17.26 0 A 1 -ATOM 1498 C CG . PHE A 1 192 ? 23.961 -9.517 27.558 1.00 15.92 0 A 1 -ATOM 1499 C CD1 . PHE A 1 192 ? 23.748 -9.200 28.897 1.00 13.23 0 A 1 -ATOM 1500 C CD2 . PHE A 1 192 ? 23.250 -8.820 26.584 1.00 15.55 0 A 1 -ATOM 1501 C CE1 . PHE A 1 192 ? 22.840 -8.208 29.261 1.00 13.95 0 A 1 -ATOM 1502 C CE2 . PHE A 1 192 ? 22.339 -7.826 26.937 1.00 15.72 0 A 1 -ATOM 1503 C CZ . PHE A 1 192 ? 22.133 -7.520 28.280 1.00 11.02 0 A 1 -ATOM 1504 N N . LEU A 1 193 ? 22.946 -12.350 25.430 1.00 12.91 0 A 1 -ATOM 1505 C CA . LEU A 1 193 ? 21.676 -12.472 24.714 1.00 13.04 0 A 1 -ATOM 1506 C C . LEU A 1 193 ? 20.875 -13.703 25.121 1.00 15.69 0 A 1 -ATOM 1507 O O . LEU A 1 193 ? 19.658 -13.741 24.947 1.00 18.53 0 A 1 -ATOM 1508 C CB . LEU A 1 193 ? 21.903 -12.477 23.198 1.00 9.91 0 A 1 -ATOM 1509 C CG . LEU A 1 193 ? 22.401 -11.172 22.576 1.00 12.89 0 A 1 -ATOM 1510 C CD1 . LEU A 1 193 ? 22.690 -11.381 21.100 1.00 9.28 0 A 1 -ATOM 1511 C CD2 . LEU A 1 193 ? 21.369 -10.074 22.768 1.00 7.61 0 A 1 -ATOM 1512 N N . ALA A 1 194 ? 21.557 -14.699 25.676 1.00 17.81 0 A 1 -ATOM 1513 C CA . ALA A 1 194 ? 20.897 -15.928 26.099 1.00 16.79 0 A 1 -ATOM 1514 C C . ALA A 1 194 ? 20.485 -15.922 27.572 1.00 21.07 0 A 1 -ATOM 1515 O O . ALA A 1 194 ? 19.689 -16.761 27.993 1.00 22.26 0 A 1 -ATOM 1516 C CB . ALA A 1 194 ? 21.795 -17.124 25.811 1.00 13.98 0 A 1 -ATOM 1517 N N . SER A 1 195 ? 21.010 -14.967 28.339 1.00 20.79 0 A 1 -ATOM 1518 C CA . SER A 1 195 ? 20.725 -14.857 29.776 1.00 17.94 0 A 1 -ATOM 1519 C C . SER A 1 195 ? 19.299 -14.406 30.112 1.00 20.92 0 A 1 -ATOM 1520 O O . SER A 1 195 ? 18.633 -13.767 29.298 1.00 22.44 0 A 1 -ATOM 1521 C CB . SER A 1 195 ? 21.724 -13.899 30.429 1.00 14.00 0 A 1 -ATOM 1522 O OG . SER A 1 195 ? 21.421 -12.548 30.115 1.00 19.24 0 A 1 -ATOM 1523 N N . PRO A 1 196 ? 18.820 -14.733 31.332 1.00 22.11 0 A 1 -ATOM 1524 C CA . PRO A 1 196 ? 17.472 -14.362 31.795 1.00 21.05 0 A 1 -ATOM 1525 C C . PRO A 1 196 ? 17.343 -12.843 31.883 1.00 24.02 0 A 1 -ATOM 1526 O O . PRO A 1 196 ? 16.266 -12.277 31.687 1.00 24.92 0 A 1 -ATOM 1527 C CB . PRO A 1 196 ? 17.414 -14.980 33.196 1.00 20.75 0 A 1 -ATOM 1528 C CG . PRO A 1 196 ? 18.372 -16.125 33.115 1.00 18.33 0 A 1 -ATOM 1529 C CD . PRO A 1 196 ? 19.517 -15.528 32.353 1.00 14.63 0 A 1 -ATOM 1530 N N . GLU A 1 197 ? 18.467 -12.206 32.196 1.00 18.45 0 A 1 -ATOM 1531 C CA . GLU A 1 197 ? 18.591 -10.759 32.328 1.00 23.07 0 A 1 -ATOM 1532 C C . GLU A 1 197 ? 18.065 -10.048 31.080 1.00 23.66 0 A 1 -ATOM 1533 O O . GLU A 1 197 ? 17.408 -9.007 31.169 1.00 14.04 0 A 1 -ATOM 1534 C CB . GLU A 1 197 ? 20.067 -10.439 32.517 1.00 25.47 0 A 1 -ATOM 1535 C CG . GLU A 1 197 ? 20.387 -9.061 33.008 1.00 29.12 0 A 1 -ATOM 1536 C CD . GLU A 1 197 ? 21.879 -8.869 33.215 1.00 27.91 0 A 1 -ATOM 1537 O OE1 . GLU A 1 197 ? 22.582 -9.848 33.558 1.00 28.23 0 A 1 -ATOM 1538 O OE2 . GLU A 1 197 ? 22.359 -7.736 33.025 1.00 28.98 0 A 1 -ATOM 1539 N N . TYR A 1 198 ? 18.368 -10.627 29.921 1.00 26.34 0 A 1 -ATOM 1540 C CA . TYR A 1 198 ? 17.945 -10.092 28.634 1.00 19.93 0 A 1 -ATOM 1541 C C . TYR A 1 198 ? 16.641 -10.738 28.163 1.00 16.88 0 A 1 -ATOM 1542 O O . TYR A 1 198 ? 15.644 -10.053 27.929 1.00 16.68 0 A 1 -ATOM 1543 C CB . TYR A 1 198 ? 19.059 -10.318 27.595 1.00 15.44 0 A 1 -ATOM 1544 C CG . TYR A 1 198 ? 18.697 -9.913 26.178 1.00 13.26 0 A 1 -ATOM 1545 C CD1 . TYR A 1 198 ? 18.924 -8.613 25.720 1.00 7.00 0 A 1 -ATOM 1546 C CD2 . TYR A 1 198 ? 18.109 -10.826 25.300 1.00 22.20 0 A 1 -ATOM 1547 C CE1 . TYR A 1 198 ? 18.567 -8.233 24.423 1.00 17.77 0 A 1 -ATOM 1548 C CE2 . TYR A 1 198 ? 17.752 -10.459 24.010 1.00 22.62 0 A 1 -ATOM 1549 C CZ . TYR A 1 198 ? 17.981 -9.163 23.577 1.00 21.82 0 A 1 -ATOM 1550 O OH . TYR A 1 198 ? 17.608 -8.801 22.305 1.00 21.68 0 A 1 -ATOM 1551 N N . VAL A 1 199 ? 16.660 -12.063 28.048 1.00 19.25 0 A 1 -ATOM 1552 C CA . VAL A 1 199 ? 15.518 -12.845 27.577 1.00 21.89 0 A 1 -ATOM 1553 C C . VAL A 1 199 ? 14.191 -12.642 28.301 1.00 23.26 0 A 1 -ATOM 1554 O O . VAL A 1 199 ? 13.144 -12.566 27.661 1.00 21.82 0 A 1 -ATOM 1555 C CB . VAL A 1 199 ? 15.863 -14.360 27.559 1.00 21.45 0 A 1 -ATOM 1556 C CG1 . VAL A 1 199 ? 14.647 -15.186 27.192 1.00 20.93 0 A 1 -ATOM 1557 C CG2 . VAL A 1 199 ? 16.992 -14.625 26.577 1.00 19.98 0 A 1 -ATOM 1558 N N . ASN A 1 200 ? 14.224 -12.534 29.626 1.00 23.60 0 A 1 -ATOM 1559 C CA . ASN A 1 200 ? 12.987 -12.388 30.396 1.00 20.85 0 A 1 -ATOM 1560 C C . ASN A 1 200 ? 12.413 -10.980 30.533 1.00 21.30 0 A 1 -ATOM 1561 O O . ASN A 1 200 ? 11.457 -10.756 31.277 1.00 24.67 0 A 1 -ATOM 1562 C CB . ASN A 1 200 ? 13.130 -13.064 31.760 1.00 19.44 0 A 1 -ATOM 1563 C CG . ASN A 1 200 ? 13.303 -14.563 31.640 1.00 22.46 0 A 1 -ATOM 1564 N ND2 . ASN A 1 200 ? 14.106 -15.140 32.523 1.00 21.29 0 A 1 -ATOM 1565 O OD1 . ASN A 1 200 ? 12.738 -15.191 30.744 1.00 31.52 0 A 1 -ATOM 1566 N N . LEU A 1 201 ? 12.986 -10.043 29.790 1.00 20.16 0 A 1 -ATOM 1567 C CA . LEU A 1 201 ? 12.527 -8.663 29.793 1.00 15.39 0 A 1 -ATOM 1568 C C . LEU A 1 201 ? 11.732 -8.437 28.512 1.00 14.41 0 A 1 -ATOM 1569 O O . LEU A 1 201 ? 12.146 -8.880 27.439 1.00 17.44 0 A 1 -ATOM 1570 C CB . LEU A 1 201 ? 13.734 -7.730 29.805 1.00 16.42 0 A 1 -ATOM 1571 C CG . LEU A 1 201 ? 13.899 -6.754 30.964 1.00 18.28 0 A 1 -ATOM 1572 C CD1 . LEU A 1 201 ? 13.669 -7.450 32.294 1.00 16.60 0 A 1 -ATOM 1573 C CD2 . LEU A 1 201 ? 15.289 -6.146 30.895 1.00 11.18 0 A 1 -ATOM 1574 N N . PRO A 1 202 ? 10.548 -7.811 28.609 1.00 13.08 0 A 1 -ATOM 1575 C CA . PRO A 1 202 ? 9.763 -7.568 27.393 1.00 10.35 0 A 1 -ATOM 1576 C C . PRO A 1 202 ? 10.473 -6.499 26.554 1.00 12.51 0 A 1 -ATOM 1577 O O . PRO A 1 202 ? 11.210 -5.676 27.097 1.00 12.21 0 A 1 -ATOM 1578 C CB . PRO A 1 202 ? 8.428 -7.063 27.944 1.00 10.74 0 A 1 -ATOM 1579 C CG . PRO A 1 202 ? 8.824 -6.373 29.207 1.00 15.14 0 A 1 -ATOM 1580 C CD . PRO A 1 202 ? 9.831 -7.328 29.804 1.00 15.53 0 A 1 -ATOM 1581 N N . ILE A 1 203 ? 10.291 -6.535 25.238 1.00 14.64 0 A 1 -ATOM 1582 C CA . ILE A 1 203 ? 10.942 -5.559 24.363 1.00 18.09 0 A 1 -ATOM 1583 C C . ILE A 1 203 ? 10.426 -4.145 24.631 1.00 16.91 0 A 1 -ATOM 1584 O O . ILE A 1 203 ? 11.210 -3.218 24.854 1.00 22.08 0 A 1 -ATOM 1585 C CB . ILE A 1 203 ? 10.748 -5.911 22.858 1.00 12.61 0 A 1 -ATOM 1586 C CG1 . ILE A 1 203 ? 11.470 -7.222 22.533 1.00 14.04 0 A 1 -ATOM 1587 C CG2 . ILE A 1 203 ? 11.290 -4.792 21.975 1.00 12.72 0 A 1 -ATOM 1588 C CD1 . ILE A 1 203 ? 11.310 -7.677 21.095 1.00 7.30 0 A 1 -ATOM 1589 N N . ASN A 1 204 ? 9.104 -4.005 24.642 1.00 22.33 0 A 1 -ATOM 1590 C CA . ASN A 1 204 ? 8.464 -2.718 24.868 1.00 21.65 0 A 1 -ATOM 1591 C C . ASN A 1 204 ? 7.588 -2.685 26.121 1.00 19.86 0 A 1 -ATOM 1592 O O . ASN A 1 204 ? 7.205 -3.725 26.660 1.00 18.10 0 A 1 -ATOM 1593 C CB . ASN A 1 204 ? 7.649 -2.329 23.628 1.00 17.02 0 A 1 -ATOM 1594 C CG . ASN A 1 204 ? 8.483 -2.377 22.354 1.00 11.05 0 A 1 -ATOM 1595 N ND2 . ASN A 1 204 ? 8.087 -3.225 21.414 1.00 13.89 0 A 1 -ATOM 1596 O OD1 . ASN A 1 204 ? 9.494 -1.685 22.239 1.00 18.08 0 A 1 -ATOM 1597 N N . GLY A 1 205 ? 7.276 -1.473 26.569 1.00 23.47 0 A 1 -ATOM 1598 C CA . GLY A 1 205 ? 6.467 -1.289 27.758 1.00 24.35 0 A 1 -ATOM 1599 C C . GLY A 1 205 ? 4.988 -1.609 27.656 1.00 25.35 0 A 1 -ATOM 1600 O O . GLY A 1 205 ? 4.303 -1.633 28.676 1.00 27.32 0 A 1 -ATOM 1601 N N . ASN A 1 206 ? 4.477 -1.855 26.453 1.00 21.34 0 A 1 -ATOM 1602 C CA . ASN A 1 206 ? 3.057 -2.164 26.303 1.00 26.45 0 A 1 -ATOM 1603 C C . ASN A 1 206 ? 2.778 -3.617 25.911 1.00 25.96 0 A 1 -ATOM 1604 O O . ASN A 1 206 ? 1.663 -3.958 25.508 1.00 23.62 0 A 1 -ATOM 1605 C CB . ASN A 1 206 ? 2.381 -1.197 25.319 1.00 22.52 0 A 1 -ATOM 1606 C CG . ASN A 1 206 ? 2.868 -1.369 23.887 1.00 26.83 0 A 1 -ATOM 1607 N ND2 . ASN A 1 206 ? 2.133 -0.798 22.943 1.00 21.32 0 A 1 -ATOM 1608 O OD1 . ASN A 1 206 ? 3.888 -2.011 23.635 1.00 27.57 0 A 1 -ATOM 1609 N N . GLY A 1 207 ? 3.797 -4.466 26.018 1.00 31.10 0 A 1 -ATOM 1610 C CA . GLY A 1 207 ? 3.631 -5.870 25.685 1.00 33.70 0 A 1 -ATOM 1611 C C . GLY A 1 207 ? 3.508 -6.198 24.208 1.00 37.56 0 A 1 -ATOM 1612 O O . GLY A 1 207 ? 3.250 -7.348 23.847 1.00 41.24 0 A 1 -ATOM 1613 N N . LYS A 1 208 ? 3.653 -5.195 23.349 1.00 31.03 0 A 1 -ATOM 1614 C CA . LYS A 1 208 ? 3.575 -5.423 21.910 1.00 26.00 0 A 1 -ATOM 1615 C C . LYS A 1 208 ? 4.988 -5.553 21.353 1.00 27.27 0 A 1 -ATOM 1616 O O . LYS A 1 208 ? 5.931 -5.001 21.911 1.00 28.52 0 A 1 -ATOM 1617 C CB . LYS A 1 208 ? 2.811 -4.289 21.225 1.00 25.43 0 A 1 -ATOM 1618 C CG . LYS A 1 208 ? 1.361 -4.209 21.667 1.00 28.43 0 A 1 -ATOM 1619 C CD . LYS A 1 208 ? 0.615 -3.101 20.964 1.00 34.32 0 A 1 -ATOM 1620 C CE . LYS A 1 208 ? -0.821 -3.047 21.443 1.00 37.63 0 A 1 -ATOM 1621 N NZ . LYS A 1 208 ? -1.594 -1.975 20.764 1.00 33.62 0 A 1 -ATOM 1622 N N . GLN A 1 209 ? 5.132 -6.327 20.283 1.00 28.60 0 A 1 -ATOM 1623 C CA . GLN A 1 209 ? 6.428 -6.558 19.650 1.00 22.79 0 A 1 -ATOM 1624 C C . GLN A 1 209 ? 6.266 -7.178 18.260 1.00 23.91 0 A 1 -ATOM 1625 O O . GLN A 1 209 ? 7.299 -7.477 17.618 1.00 22.09 0 A 1 -ATOM 1626 C CB . GLN A 1 209 ? 7.263 -7.493 20.517 1.00 17.68 0 A 1 -ATOM 1627 C CG . GLN A 1 209 ? 6.518 -8.755 20.919 1.00 18.20 0 A 1 -ATOM 1628 C CD . GLN A 1 209 ? 7.415 -9.783 21.547 1.00 24.76 0 A 1 -ATOM 1629 N NE2 . GLN A 1 209 ? 7.366 -11.004 21.011 1.00 26.25 0 A 1 -ATOM 1630 O OE1 . GLN A 1 209 ? 8.145 -9.501 22.493 1.00 35.06 0 A 1 -ATOM 1631 O OXT . GLN A 1 209 ? 5.111 -7.365 17.827 1.00 24.47 0 A 1 -ATOM 1632 N N . PRO B 1 2 ? 36.456 22.522 0.112 1.00 43.81 0 B 1 -ATOM 1633 C CA . PRO B 1 2 ? 35.928 23.163 1.346 1.00 35.84 0 B 1 -ATOM 1634 C C . PRO B 1 2 ? 34.592 22.500 1.704 1.00 28.81 0 B 1 -ATOM 1635 O O . PRO B 1 2 ? 34.476 21.270 1.661 1.00 26.75 0 B 1 -ATOM 1636 C CB . PRO B 1 2 ? 35.742 24.637 1.013 1.00 42.67 0 B 1 -ATOM 1637 C CG . PRO B 1 2 ? 35.408 24.539 -0.468 1.00 47.29 0 B 1 -ATOM 1638 C CD . PRO B 1 2 ? 36.297 23.435 -1.037 1.00 48.49 0 B 1 -ATOM 1639 N N . TYR B 1 3 ? 33.580 23.312 2.002 1.00 19.91 0 B 1 -ATOM 1640 C CA . TYR B 1 3 ? 32.265 22.800 2.366 1.00 21.23 0 B 1 -ATOM 1641 C C . TYR B 1 3 ? 31.201 23.090 1.321 1.00 17.17 0 B 1 -ATOM 1642 O O . TYR B 1 3 ? 31.216 24.134 0.668 1.00 22.49 0 B 1 -ATOM 1643 C CB . TYR B 1 3 ? 31.815 23.414 3.689 1.00 18.07 0 B 1 -ATOM 1644 C CG . TYR B 1 3 ? 32.793 23.230 4.822 1.00 15.63 0 B 1 -ATOM 1645 C CD1 . TYR B 1 3 ? 33.159 21.957 5.265 1.00 16.43 0 B 1 -ATOM 1646 C CD2 . TYR B 1 3 ? 33.345 24.335 5.464 1.00 13.07 0 B 1 -ATOM 1647 C CE1 . TYR B 1 3 ? 34.056 21.799 6.325 1.00 15.65 0 B 1 -ATOM 1648 C CE2 . TYR B 1 3 ? 34.236 24.189 6.519 1.00 17.20 0 B 1 -ATOM 1649 C CZ . TYR B 1 3 ? 34.590 22.926 6.945 1.00 20.15 0 B 1 -ATOM 1650 O OH . TYR B 1 3 ? 35.492 22.800 7.974 1.00 22.06 0 B 1 -ATOM 1651 N N . THR B 1 4 ? 30.243 22.177 1.221 1.00 18.06 0 B 1 -ATOM 1652 C CA . THR B 1 4 ? 29.132 22.312 0.292 1.00 17.66 0 B 1 -ATOM 1653 C C . THR B 1 4 ? 27.886 21.755 0.964 1.00 19.05 0 B 1 -ATOM 1654 O O . THR B 1 4 ? 27.889 20.616 1.428 1.00 14.17 0 B 1 -ATOM 1655 C CB . THR B 1 4 ? 29.367 21.502 -1.009 1.00 22.48 0 B 1 -ATOM 1656 C CG2 . THR B 1 4 ? 28.206 21.693 -1.981 1.00 20.92 0 B 1 -ATOM 1657 O OG1 . THR B 1 4 ? 30.582 21.927 -1.632 1.00 27.68 0 B 1 -ATOM 1658 N N . VAL B 1 5 ? 26.843 22.569 1.075 1.00 21.39 0 B 1 -ATOM 1659 C CA . VAL B 1 5 ? 25.602 22.085 1.658 1.00 18.92 0 B 1 -ATOM 1660 C C . VAL B 1 5 ? 24.546 22.032 0.554 1.00 20.91 0 B 1 -ATOM 1661 O O . VAL B 1 5 ? 24.322 23.009 -0.162 1.00 22.15 0 B 1 -ATOM 1662 C CB . VAL B 1 5 ? 25.117 22.916 2.909 1.00 18.75 0 B 1 -ATOM 1663 C CG1 . VAL B 1 5 ? 26.209 23.841 3.418 1.00 12.77 0 B 1 -ATOM 1664 C CG2 . VAL B 1 5 ? 23.828 23.664 2.633 1.00 10.34 0 B 1 -ATOM 1665 N N . VAL B 1 6 ? 23.985 20.847 0.357 1.00 19.15 0 B 1 -ATOM 1666 C CA . VAL B 1 6 ? 22.953 20.631 -0.646 1.00 15.04 0 B 1 -ATOM 1667 C C . VAL B 1 6 ? 21.639 20.575 0.123 1.00 13.80 0 B 1 -ATOM 1668 O O . VAL B 1 6 ? 21.448 19.706 0.982 1.00 16.24 0 B 1 -ATOM 1669 C CB . VAL B 1 6 ? 23.181 19.306 -1.404 1.00 14.53 0 B 1 -ATOM 1670 C CG1 . VAL B 1 6 ? 22.174 19.168 -2.528 1.00 15.40 0 B 1 -ATOM 1671 C CG2 . VAL B 1 6 ? 24.608 19.241 -1.941 1.00 7.93 0 B 1 -ATOM 1672 N N . TYR B 1 7 ? 20.735 21.503 -0.175 1.00 11.33 0 B 1 -ATOM 1673 C CA . TYR B 1 7 ? 19.470 21.558 0.543 1.00 10.01 0 B 1 -ATOM 1674 C C . TYR B 1 7 ? 18.410 22.353 -0.216 1.00 14.20 0 B 1 -ATOM 1675 O O . TYR B 1 7 ? 18.700 23.009 -1.215 1.00 18.71 0 B 1 -ATOM 1676 C CB . TYR B 1 7 ? 19.725 22.197 1.918 1.00 10.80 0 B 1 -ATOM 1677 C CG . TYR B 1 7 ? 18.614 22.036 2.927 1.00 15.46 0 B 1 -ATOM 1678 C CD1 . TYR B 1 7 ? 18.124 20.773 3.254 1.00 15.32 0 B 1 -ATOM 1679 C CD2 . TYR B 1 7 ? 18.064 23.143 3.573 1.00 14.77 0 B 1 -ATOM 1680 C CE1 . TYR B 1 7 ? 17.114 20.610 4.195 1.00 11.99 0 B 1 -ATOM 1681 C CE2 . TYR B 1 7 ? 17.053 22.993 4.520 1.00 14.74 0 B 1 -ATOM 1682 C CZ . TYR B 1 7 ? 16.583 21.719 4.826 1.00 13.25 0 B 1 -ATOM 1683 O OH . TYR B 1 7 ? 15.580 21.549 5.754 1.00 11.16 0 B 1 -ATOM 1684 N N . PHE B 1 8 ? 17.173 22.278 0.265 1.00 18.11 0 B 1 -ATOM 1685 C CA . PHE B 1 8 ? 16.055 22.997 -0.330 1.00 20.72 0 B 1 -ATOM 1686 C C . PHE B 1 8 ? 16.196 24.474 0.033 1.00 21.52 0 B 1 -ATOM 1687 O O . PHE B 1 8 ? 16.954 24.816 0.937 1.00 20.79 0 B 1 -ATOM 1688 C CB . PHE B 1 8 ? 14.742 22.431 0.206 1.00 21.53 0 B 1 -ATOM 1689 C CG . PHE B 1 8 ? 14.568 20.966 -0.067 1.00 28.44 0 B 1 -ATOM 1690 C CD1 . PHE B 1 8 ? 14.313 20.511 -1.363 1.00 24.39 0 B 1 -ATOM 1691 C CD2 . PHE B 1 8 ? 14.682 20.033 0.961 1.00 27.57 0 B 1 -ATOM 1692 C CE1 . PHE B 1 8 ? 14.175 19.149 -1.630 1.00 26.63 0 B 1 -ATOM 1693 C CE2 . PHE B 1 8 ? 14.546 18.664 0.705 1.00 30.65 0 B 1 -ATOM 1694 C CZ . PHE B 1 8 ? 14.293 18.222 -0.594 1.00 32.00 0 B 1 -ATOM 1695 N N . PRO B 1 9 ? 15.506 25.373 -0.688 1.00 21.54 0 B 1 -ATOM 1696 C CA . PRO B 1 9 ? 15.608 26.806 -0.384 1.00 19.80 0 B 1 -ATOM 1697 C C . PRO B 1 9 ? 14.846 27.247 0.875 1.00 20.15 0 B 1 -ATOM 1698 O O . PRO B 1 9 ? 13.976 28.112 0.811 1.00 20.07 0 B 1 -ATOM 1699 C CB . PRO B 1 9 ? 15.055 27.456 -1.650 1.00 23.28 0 B 1 -ATOM 1700 C CG . PRO B 1 9 ? 13.996 26.473 -2.082 1.00 24.91 0 B 1 -ATOM 1701 C CD . PRO B 1 9 ? 14.698 25.148 -1.904 1.00 20.14 0 B 1 -ATOM 1702 N N . VAL B 1 10 ? 15.171 26.631 2.009 1.00 24.02 0 B 1 -ATOM 1703 C CA . VAL B 1 10 ? 14.550 26.952 3.295 1.00 20.78 0 B 1 -ATOM 1704 C C . VAL B 1 10 ? 15.627 26.876 4.372 1.00 21.86 0 B 1 -ATOM 1705 O O . VAL B 1 10 ? 16.718 26.351 4.129 1.00 21.71 0 B 1 -ATOM 1706 C CB . VAL B 1 10 ? 13.411 25.962 3.669 1.00 20.30 0 B 1 -ATOM 1707 C CG1 . VAL B 1 10 ? 12.331 25.954 2.601 1.00 21.54 0 B 1 -ATOM 1708 C CG2 . VAL B 1 10 ? 13.962 24.564 3.887 1.00 25.11 0 B 1 -ATOM 1709 N N . ARG B 1 11 ? 15.338 27.424 5.548 1.00 14.84 0 B 1 -ATOM 1710 C CA . ARG B 1 11 ? 16.292 27.384 6.653 1.00 19.38 0 B 1 -ATOM 1711 C C . ARG B 1 11 ? 16.294 25.967 7.214 1.00 16.20 0 B 1 -ATOM 1712 O O . ARG B 1 11 ? 17.339 25.313 7.264 1.00 14.67 0 B 1 -ATOM 1713 C CB . ARG B 1 11 ? 15.905 28.386 7.740 1.00 15.30 0 B 1 -ATOM 1714 C CG . ARG B 1 11 ? 15.934 29.825 7.269 1.00 13.72 0 B 1 -ATOM 1715 C CD . ARG B 1 11 ? 15.615 30.782 8.394 1.00 17.28 0 B 1 -ATOM 1716 N NE . ARG B 1 11 ? 15.297 32.107 7.876 1.00 18.48 0 B 1 -ATOM 1717 C CZ . ARG B 1 11 ? 14.600 33.022 8.539 1.00 13.13 0 B 1 -ATOM 1718 N NH1 . ARG B 1 11 ? 14.150 32.762 9.762 1.00 17.59 0 B 1 -ATOM 1719 N NH2 . ARG B 1 11 ? 14.322 34.185 7.961 1.00 19.79 0 B 1 -ATOM 1720 N N . GLY B 1 12 ? 15.107 25.510 7.614 1.00 14.97 0 B 1 -ATOM 1721 C CA . GLY B 1 12 ? 14.919 24.170 8.147 1.00 16.27 0 B 1 -ATOM 1722 C C . GLY B 1 12 ? 16.043 23.580 8.979 1.00 16.27 0 B 1 -ATOM 1723 O O . GLY B 1 12 ? 16.525 24.201 9.930 1.00 18.48 0 B 1 -ATOM 1724 N N . ARG B 1 13 ? 16.494 22.393 8.587 1.00 13.50 0 B 1 -ATOM 1725 C CA . ARG B 1 13 ? 17.557 21.700 9.303 1.00 13.12 0 B 1 -ATOM 1726 C C . ARG B 1 13 ? 18.984 22.143 8.997 1.00 14.05 0 B 1 -ATOM 1727 O O . ARG B 1 13 ? 19.941 21.511 9.453 1.00 13.51 0 B 1 -ATOM 1728 C CB . ARG B 1 13 ? 17.419 20.189 9.123 1.00 9.15 0 B 1 -ATOM 1729 C CG . ARG B 1 13 ? 16.250 19.595 9.896 1.00 4.44 0 B 1 -ATOM 1730 C CD . ARG B 1 13 ? 16.233 18.086 9.786 1.00 12.73 0 B 1 -ATOM 1731 N NE . ARG B 1 13 ? 15.255 17.479 10.688 1.00 19.02 0 B 1 -ATOM 1732 C CZ . ARG B 1 13 ? 15.511 17.133 11.947 1.00 12.00 0 B 1 -ATOM 1733 N NH1 . ARG B 1 13 ? 16.715 17.344 12.474 1.00 10.75 0 B 1 -ATOM 1734 N NH2 . ARG B 1 13 ? 14.558 16.583 12.686 1.00 13.35 0 B 1 -ATOM 1735 N N . CYS B 1 14 ? 19.137 23.223 8.234 1.00 10.29 0 B 1 -ATOM 1736 C CA . CYS B 1 14 ? 20.473 23.722 7.915 1.00 15.69 0 B 1 -ATOM 1737 C C . CYS B 1 14 ? 20.777 25.056 8.583 1.00 10.57 0 B 1 -ATOM 1738 O O . CYS B 1 14 ? 21.923 25.518 8.566 1.00 17.13 0 B 1 -ATOM 1739 C CB . CYS B 1 14 ? 20.666 23.837 6.404 1.00 14.82 0 B 1 -ATOM 1740 S SG . CYS B 1 14 ? 20.802 22.248 5.584 1.00 19.67 0 B 1 -ATOM 1741 N N . ALA B 1 15 ? 19.754 25.658 9.187 1.00 13.71 0 B 1 -ATOM 1742 C CA . ALA B 1 15 ? 19.894 26.944 9.860 1.00 13.88 0 B 1 -ATOM 1743 C C . ALA B 1 15 ? 21.024 26.948 10.892 1.00 11.11 0 B 1 -ATOM 1744 O O . ALA B 1 15 ? 21.909 27.802 10.851 1.00 16.99 0 B 1 -ATOM 1745 C CB . ALA B 1 15 ? 18.577 27.330 10.509 1.00 6.58 0 B 1 -ATOM 1746 N N . ALA B 1 16 ? 21.022 25.956 11.777 1.00 14.29 0 B 1 -ATOM 1747 C CA . ALA B 1 16 ? 22.038 25.856 12.816 1.00 11.83 0 B 1 -ATOM 1748 C C . ALA B 1 16 ? 23.447 25.658 12.272 1.00 15.77 0 B 1 -ATOM 1749 O O . ALA B 1 16 ? 24.385 26.332 12.714 1.00 17.33 0 B 1 -ATOM 1750 C CB . ALA B 1 16 ? 21.683 24.747 13.791 1.00 9.46 0 B 1 -ATOM 1751 N N . LEU B 1 17 ? 23.600 24.755 11.305 1.00 18.54 0 B 1 -ATOM 1752 C CA . LEU B 1 17 ? 24.920 24.494 10.730 1.00 15.95 0 B 1 -ATOM 1753 C C . LEU B 1 17 ? 25.433 25.696 9.934 1.00 10.49 0 B 1 -ATOM 1754 O O . LEU B 1 17 ? 26.639 25.927 9.860 1.00 16.44 0 B 1 -ATOM 1755 C CB . LEU B 1 17 ? 24.928 23.195 9.900 1.00 12.67 0 B 1 -ATOM 1756 C CG . LEU B 1 17 ? 24.156 23.036 8.588 1.00 11.14 0 B 1 -ATOM 1757 C CD1 . LEU B 1 17 ? 25.082 23.325 7.424 1.00 3.24 0 B 1 -ATOM 1758 C CD2 . LEU B 1 17 ? 23.615 21.612 8.473 1.00 12.33 0 B 1 -ATOM 1759 N N . ARG B 1 18 ? 24.515 26.476 9.367 1.00 11.81 0 B 1 -ATOM 1760 C CA . ARG B 1 18 ? 24.891 27.674 8.618 1.00 12.23 0 B 1 -ATOM 1761 C C . ARG B 1 18 ? 25.375 28.751 9.588 1.00 10.45 0 B 1 -ATOM 1762 O O . ARG B 1 18 ? 26.380 29.416 9.331 1.00 16.59 0 B 1 -ATOM 1763 C CB . ARG B 1 18 ? 23.710 28.195 7.804 1.00 8.73 0 B 1 -ATOM 1764 C CG . ARG B 1 18 ? 23.418 27.381 6.566 1.00 7.20 0 B 1 -ATOM 1765 C CD . ARG B 1 18 ? 22.061 27.743 6.005 1.00 13.69 0 B 1 -ATOM 1766 N NE . ARG B 1 18 ? 21.810 27.073 4.734 1.00 13.61 0 B 1 -ATOM 1767 C CZ . ARG B 1 18 ? 20.604 26.797 4.254 1.00 10.96 0 B 1 -ATOM 1768 N NH1 . ARG B 1 18 ? 19.517 27.128 4.940 1.00 12.63 0 B 1 -ATOM 1769 N NH2 . ARG B 1 18 ? 20.486 26.195 3.078 1.00 14.54 0 B 1 -ATOM 1770 N N . MET B 1 19 ? 24.661 28.905 10.706 1.00 13.30 0 B 1 -ATOM 1771 C CA . MET B 1 19 ? 25.034 29.882 11.728 1.00 10.84 0 B 1 -ATOM 1772 C C . MET B 1 19 ? 26.402 29.532 12.294 1.00 12.29 0 B 1 -ATOM 1773 O O . MET B 1 19 ? 27.211 30.411 12.574 1.00 16.25 0 B 1 -ATOM 1774 C CB . MET B 1 19 ? 24.021 29.901 12.870 1.00 7.48 0 B 1 -ATOM 1775 C CG . MET B 1 19 ? 22.626 30.337 12.477 1.00 11.33 0 B 1 -ATOM 1776 S SD . MET B 1 19 ? 21.554 30.545 13.921 1.00 20.62 0 B 1 -ATOM 1777 C CE . MET B 1 19 ? 21.340 28.900 14.412 1.00 23.54 0 B 1 -ATOM 1778 N N . LEU B 1 20 ? 26.648 28.236 12.459 1.00 14.03 0 B 1 -ATOM 1779 C CA . LEU B 1 20 ? 27.916 27.744 12.985 1.00 14.46 0 B 1 -ATOM 1780 C C . LEU B 1 20 ? 29.064 28.113 12.046 1.00 11.96 0 B 1 -ATOM 1781 O O . LEU B 1 20 ? 30.083 28.655 12.485 1.00 22.84 0 B 1 -ATOM 1782 C CB . LEU B 1 20 ? 27.842 26.223 13.179 1.00 8.64 0 B 1 -ATOM 1783 C CG . LEU B 1 20 ? 28.971 25.482 13.907 1.00 5.60 0 B 1 -ATOM 1784 C CD1 . LEU B 1 20 ? 28.451 24.135 14.389 1.00 10.58 0 B 1 -ATOM 1785 C CD2 . LEU B 1 20 ? 30.198 25.303 13.017 1.00 2.05 0 B 1 -ATOM 1786 N N . LEU B 1 21 ? 28.897 27.801 10.760 1.00 13.96 0 B 1 -ATOM 1787 C CA . LEU B 1 21 ? 29.910 28.096 9.752 1.00 14.99 0 B 1 -ATOM 1788 C C . LEU B 1 21 ? 30.167 29.596 9.656 1.00 18.05 0 B 1 -ATOM 1789 O O . LEU B 1 21 ? 31.316 30.031 9.662 1.00 19.87 0 B 1 -ATOM 1790 C CB . LEU B 1 21 ? 29.484 27.549 8.389 1.00 11.76 0 B 1 -ATOM 1791 C CG . LEU B 1 21 ? 29.547 26.030 8.229 1.00 11.56 0 B 1 -ATOM 1792 C CD1 . LEU B 1 21 ? 28.894 25.612 6.926 1.00 14.81 0 B 1 -ATOM 1793 C CD2 . LEU B 1 21 ? 30.993 25.564 8.281 1.00 6.15 0 B 1 -ATOM 1794 N N . ALA B 1 22 ? 29.092 30.378 9.604 1.00 23.60 0 B 1 -ATOM 1795 C CA . ALA B 1 22 ? 29.191 31.831 9.515 1.00 21.34 0 B 1 -ATOM 1796 C C . ALA B 1 22 ? 29.941 32.414 10.711 1.00 20.82 0 B 1 -ATOM 1797 O O . ALA B 1 22 ? 30.927 33.135 10.548 1.00 22.49 0 B 1 -ATOM 1798 C CB . ALA B 1 22 ? 27.809 32.436 9.426 1.00 17.23 0 B 1 -ATOM 1799 N N . ASP B 1 23 ? 29.500 32.051 11.912 1.00 18.61 0 B 1 -ATOM 1800 C CA . ASP B 1 23 ? 30.104 32.536 13.145 1.00 16.42 0 B 1 -ATOM 1801 C C . ASP B 1 23 ? 31.563 32.119 13.318 1.00 19.05 0 B 1 -ATOM 1802 O O . ASP B 1 23 ? 32.342 32.832 13.950 1.00 20.06 0 B 1 -ATOM 1803 C CB . ASP B 1 23 ? 29.277 32.073 14.346 1.00 22.68 0 B 1 -ATOM 1804 C CG . ASP B 1 23 ? 29.571 32.867 15.601 1.00 23.00 0 B 1 -ATOM 1805 O OD1 . ASP B 1 23 ? 29.380 34.102 15.590 1.00 25.24 0 B 1 -ATOM 1806 O OD2 . ASP B 1 23 ? 29.966 32.245 16.603 1.00 20.31 0 B 1 -ATOM 1807 N N . GLN B 1 24 ? 31.932 30.967 12.767 1.00 18.07 0 B 1 -ATOM 1808 C CA . GLN B 1 24 ? 33.307 30.478 12.868 1.00 17.60 0 B 1 -ATOM 1809 C C . GLN B 1 24 ? 34.195 31.012 11.754 1.00 14.83 0 B 1 -ATOM 1810 O O . GLN B 1 24 ? 35.357 30.622 11.644 1.00 20.83 0 B 1 -ATOM 1811 C CB . GLN B 1 24 ? 33.336 28.948 12.871 1.00 19.14 0 B 1 -ATOM 1812 C CG . GLN B 1 24 ? 32.766 28.331 14.147 1.00 15.09 0 B 1 -ATOM 1813 C CD . GLN B 1 24 ? 33.505 28.794 15.389 1.00 12.90 0 B 1 -ATOM 1814 N NE2 . GLN B 1 24 ? 32.764 29.221 16.399 1.00 13.81 0 B 1 -ATOM 1815 O OE1 . GLN B 1 24 ? 34.736 28.741 15.443 1.00 12.05 0 B 1 -ATOM 1816 N N . GLY B 1 25 ? 33.635 31.896 10.930 1.00 22.04 0 B 1 -ATOM 1817 C CA . GLY B 1 25 ? 34.382 32.486 9.833 1.00 20.10 0 B 1 -ATOM 1818 C C . GLY B 1 25 ? 34.715 31.517 8.716 1.00 23.51 0 B 1 -ATOM 1819 O O . GLY B 1 25 ? 35.752 31.648 8.071 1.00 28.36 0 B 1 -ATOM 1820 N N . GLN B 1 26 ? 33.841 30.542 8.488 1.00 22.95 0 B 1 -ATOM 1821 C CA . GLN B 1 26 ? 34.048 29.544 7.443 1.00 22.49 0 B 1 -ATOM 1822 C C . GLN B 1 26 ? 33.286 29.887 6.169 1.00 24.12 0 B 1 -ATOM 1823 O O . GLN B 1 26 ? 32.208 30.479 6.217 1.00 26.60 0 B 1 -ATOM 1824 C CB . GLN B 1 26 ? 33.609 28.161 7.928 1.00 22.18 0 B 1 -ATOM 1825 C CG . GLN B 1 26 ? 34.300 27.689 9.194 1.00 19.74 0 B 1 -ATOM 1826 C CD . GLN B 1 26 ? 35.796 27.590 9.039 1.00 23.50 0 B 1 -ATOM 1827 N NE2 . GLN B 1 26 ? 36.525 28.013 10.064 1.00 23.87 0 B 1 -ATOM 1828 O OE1 . GLN B 1 26 ? 36.293 27.116 8.021 1.00 32.26 0 B 1 -ATOM 1829 N N . SER B 1 27 ? 33.853 29.491 5.033 1.00 30.00 0 B 1 -ATOM 1830 C CA . SER B 1 27 ? 33.250 29.730 3.726 1.00 28.75 0 B 1 -ATOM 1831 C C . SER B 1 27 ? 32.634 28.421 3.262 1.00 26.59 0 B 1 -ATOM 1832 O O . SER B 1 27 ? 33.189 27.350 3.506 1.00 23.02 0 B 1 -ATOM 1833 C CB . SER B 1 27 ? 34.319 30.144 2.709 1.00 30.97 0 B 1 -ATOM 1834 O OG . SER B 1 27 ? 35.229 31.082 3.255 1.00 34.30 0 B 1 -ATOM 1835 N N . TRP B 1 28 ? 31.494 28.501 2.591 1.00 21.76 0 B 1 -ATOM 1836 C CA . TRP B 1 28 ? 30.849 27.300 2.083 1.00 20.45 0 B 1 -ATOM 1837 C C . TRP B 1 28 ? 30.034 27.599 0.834 1.00 19.73 0 B 1 -ATOM 1838 O O . TRP B 1 28 ? 29.657 28.740 0.582 1.00 17.27 0 B 1 -ATOM 1839 C CB . TRP B 1 28 ? 29.971 26.643 3.156 1.00 14.02 0 B 1 -ATOM 1840 C CG . TRP B 1 28 ? 28.704 27.382 3.489 1.00 11.82 0 B 1 -ATOM 1841 C CD1 . TRP B 1 28 ? 27.455 27.126 3.001 1.00 14.47 0 B 1 -ATOM 1842 C CD2 . TRP B 1 28 ? 28.560 28.458 4.431 1.00 10.80 0 B 1 -ATOM 1843 C CE2 . TRP B 1 28 ? 27.186 28.790 4.467 1.00 8.72 0 B 1 -ATOM 1844 C CE3 . TRP B 1 28 ? 29.449 29.163 5.250 1.00 13.17 0 B 1 -ATOM 1845 N NE1 . TRP B 1 28 ? 26.539 27.967 3.587 1.00 12.74 0 B 1 -ATOM 1846 C CZ2 . TRP B 1 28 ? 26.685 29.803 5.294 1.00 7.25 0 B 1 -ATOM 1847 C CZ3 . TRP B 1 28 ? 28.949 30.168 6.071 1.00 12.31 0 B 1 -ATOM 1848 C CH2 . TRP B 1 28 ? 27.577 30.476 6.086 1.00 12.18 0 B 1 -ATOM 1849 N N . LYS B 1 29 ? 29.774 26.556 0.057 1.00 19.11 0 B 1 -ATOM 1850 C CA . LYS B 1 29 ? 29.012 26.663 -1.175 1.00 23.10 0 B 1 -ATOM 1851 C C . LYS B 1 29 ? 27.614 26.114 -0.941 1.00 25.89 0 B 1 -ATOM 1852 O O . LYS B 1 29 ? 27.443 25.087 -0.286 1.00 24.44 0 B 1 -ATOM 1853 C CB . LYS B 1 29 ? 29.717 25.869 -2.280 1.00 29.87 0 B 1 -ATOM 1854 C CG . LYS B 1 29 ? 28.887 25.607 -3.523 1.00 41.03 0 B 1 -ATOM 1855 C CD . LYS B 1 29 ? 28.694 26.854 -4.373 1.00 54.60 0 B 1 -ATOM 1856 C CE . LYS B 1 29 ? 27.795 26.555 -5.569 1.00 60.22 0 B 1 -ATOM 1857 N NZ . LYS B 1 29 ? 28.278 25.361 -6.331 1.00 66.25 0 B 1 -ATOM 1858 N N . GLU B 1 30 ? 26.614 26.825 -1.446 1.00 27.09 0 B 1 -ATOM 1859 C CA . GLU B 1 30 ? 25.232 26.397 -1.314 1.00 22.76 0 B 1 -ATOM 1860 C C . GLU B 1 30 ? 24.750 25.834 -2.643 1.00 27.22 0 B 1 -ATOM 1861 O O . GLU B 1 30 ? 24.811 26.508 -3.671 1.00 28.14 0 B 1 -ATOM 1862 C CB . GLU B 1 30 ? 24.338 27.570 -0.905 1.00 24.71 0 B 1 -ATOM 1863 C CG . GLU B 1 30 ? 24.514 28.050 0.532 1.00 25.60 0 B 1 -ATOM 1864 C CD . GLU B 1 30 ? 23.715 27.251 1.555 1.00 22.68 0 B 1 -ATOM 1865 O OE1 . GLU B 1 30 ? 22.968 26.320 1.174 1.00 25.52 0 B 1 -ATOM 1866 O OE2 . GLU B 1 30 ? 23.838 27.564 2.757 1.00 25.33 0 B 1 -ATOM 1867 N N . GLU B 1 31 ? 24.337 24.574 -2.623 1.00 29.40 0 B 1 -ATOM 1868 C CA . GLU B 1 31 ? 23.813 23.905 -3.803 1.00 30.25 0 B 1 -ATOM 1869 C C . GLU B 1 31 ? 22.324 23.805 -3.558 1.00 29.50 0 B 1 -ATOM 1870 O O . GLU B 1 31 ? 21.868 22.946 -2.809 1.00 29.93 0 B 1 -ATOM 1871 C CB . GLU B 1 31 ? 24.419 22.511 -3.949 1.00 34.26 0 B 1 -ATOM 1872 C CG . GLU B 1 31 ? 25.774 22.493 -4.623 1.00 47.90 0 B 1 -ATOM 1873 C CD . GLU B 1 31 ? 25.678 22.761 -6.113 1.00 54.07 0 B 1 -ATOM 1874 O OE1 . GLU B 1 31 ? 25.642 23.946 -6.515 1.00 53.62 0 B 1 -ATOM 1875 O OE2 . GLU B 1 31 ? 25.625 21.779 -6.883 1.00 66.85 0 B 1 -ATOM 1876 N N . VAL B 1 32 ? 21.572 24.725 -4.146 1.00 29.27 0 B 1 -ATOM 1877 C CA . VAL B 1 32 ? 20.132 24.751 -3.963 1.00 26.39 0 B 1 -ATOM 1878 C C . VAL B 1 32 ? 19.401 23.743 -4.828 1.00 30.94 0 B 1 -ATOM 1879 O O . VAL B 1 32 ? 19.620 23.663 -6.033 1.00 39.04 0 B 1 -ATOM 1880 C CB . VAL B 1 32 ? 19.562 26.158 -4.219 1.00 30.62 0 B 1 -ATOM 1881 C CG1 . VAL B 1 32 ? 18.067 26.176 -3.945 1.00 25.87 0 B 1 -ATOM 1882 C CG2 . VAL B 1 32 ? 20.279 27.174 -3.342 1.00 26.68 0 B 1 -ATOM 1883 N N . VAL B 1 33 ? 18.544 22.962 -4.185 1.00 32.24 0 B 1 -ATOM 1884 C CA . VAL B 1 33 ? 17.747 21.954 -4.859 1.00 26.40 0 B 1 -ATOM 1885 C C . VAL B 1 33 ? 16.300 22.392 -4.727 1.00 31.56 0 B 1 -ATOM 1886 O O . VAL B 1 33 ? 15.805 22.594 -3.617 1.00 33.69 0 B 1 -ATOM 1887 C CB . VAL B 1 33 ? 17.915 20.563 -4.207 1.00 24.47 0 B 1 -ATOM 1888 C CG1 . VAL B 1 33 ? 16.964 19.562 -4.845 1.00 23.77 0 B 1 -ATOM 1889 C CG2 . VAL B 1 33 ? 19.350 20.087 -4.348 1.00 21.90 0 B 1 -ATOM 1890 N N . THR B 1 34 ? 15.637 22.574 -5.864 1.00 36.24 0 B 1 -ATOM 1891 C CA . THR B 1 34 ? 14.240 22.988 -5.875 1.00 39.40 0 B 1 -ATOM 1892 C C . THR B 1 34 ? 13.335 21.766 -5.754 1.00 39.86 0 B 1 -ATOM 1893 O O . THR B 1 34 ? 13.777 20.635 -5.960 1.00 37.37 0 B 1 -ATOM 1894 C CB . THR B 1 34 ? 13.892 23.739 -7.174 1.00 38.77 0 B 1 -ATOM 1895 C CG2 . THR B 1 34 ? 14.838 24.914 -7.378 1.00 44.18 0 B 1 -ATOM 1896 O OG1 . THR B 1 34 ? 14.013 22.845 -8.287 1.00 45.87 0 B 1 -ATOM 1897 N N . VAL B 1 35 ? 12.069 22.001 -5.418 1.00 47.64 0 B 1 -ATOM 1898 C CA . VAL B 1 35 ? 11.088 20.925 -5.277 1.00 53.28 0 B 1 -ATOM 1899 C C . VAL B 1 35 ? 10.899 20.185 -6.607 1.00 54.22 0 B 1 -ATOM 1900 O O . VAL B 1 35 ? 10.598 18.991 -6.625 1.00 51.37 0 B 1 -ATOM 1901 C CB . VAL B 1 35 ? 9.719 21.477 -4.786 1.00 56.47 0 B 1 -ATOM 1902 C CG1 . VAL B 1 35 ? 9.053 22.331 -5.876 1.00 58.28 0 B 1 -ATOM 1903 C CG2 . VAL B 1 35 ? 8.809 20.338 -4.349 1.00 60.50 0 B 1 -ATOM 1904 N N . GLU B 1 36 ? 11.097 20.901 -7.712 1.00 58.43 0 B 1 -ATOM 1905 C CA . GLU B 1 36 ? 10.962 20.330 -9.049 1.00 61.12 0 B 1 -ATOM 1906 C C . GLU B 1 36 ? 12.079 19.323 -9.294 1.00 57.43 0 B 1 -ATOM 1907 O O . GLU B 1 36 ? 11.821 18.167 -9.636 1.00 57.50 0 B 1 -ATOM 1908 C CB . GLU B 1 36 ? 11.057 21.429 -10.105 1.00 67.67 0 B 1 -ATOM 1909 C CG . GLU B 1 36 ? 10.280 22.693 -9.779 1.00 76.81 0 B 1 -ATOM 1910 C CD . GLU B 1 36 ? 11.060 23.952 -10.125 1.00 82.50 0 B 1 -ATOM 1911 O OE1 . GLU B 1 36 ? 11.947 23.895 -11.012 1.00 85.34 0 B 1 -ATOM 1912 O OE2 . GLU B 1 36 ? 10.796 24.996 -9.492 1.00 85.98 0 B 1 -ATOM 1913 N N . THR B 1 37 ? 13.319 19.778 -9.119 1.00 52.77 0 B 1 -ATOM 1914 C CA . THR B 1 37 ? 14.498 18.940 -9.312 1.00 46.99 0 B 1 -ATOM 1915 C C . THR B 1 37 ? 14.421 17.681 -8.440 1.00 47.18 0 B 1 -ATOM 1916 O O . THR B 1 37 ? 14.750 16.582 -8.892 1.00 45.53 0 B 1 -ATOM 1917 C CB . THR B 1 37 ? 15.797 19.711 -8.961 1.00 44.38 0 B 1 -ATOM 1918 C CG2 . THR B 1 37 ? 17.022 18.958 -9.462 1.00 38.19 0 B 1 -ATOM 1919 O OG1 . THR B 1 37 ? 15.770 21.007 -9.571 1.00 35.05 0 B 1 -ATOM 1920 N N . TRP B 1 38 ? 13.957 17.852 -7.202 1.00 42.94 0 B 1 -ATOM 1921 C CA . TRP B 1 38 ? 13.827 16.750 -6.247 1.00 43.28 0 B 1 -ATOM 1922 C C . TRP B 1 38 ? 12.808 15.704 -6.702 1.00 47.41 0 B 1 -ATOM 1923 O O . TRP B 1 38 ? 13.067 14.502 -6.616 1.00 50.08 0 B 1 -ATOM 1924 C CB . TRP B 1 38 ? 13.447 17.297 -4.864 1.00 36.44 0 B 1 -ATOM 1925 C CG . TRP B 1 38 ? 13.438 16.274 -3.751 1.00 33.30 0 B 1 -ATOM 1926 C CD1 . TRP B 1 38 ? 12.344 15.804 -3.081 1.00 32.64 0 B 1 -ATOM 1927 C CD2 . TRP B 1 38 ? 14.578 15.630 -3.163 1.00 28.13 0 B 1 -ATOM 1928 C CE2 . TRP B 1 38 ? 14.092 14.785 -2.135 1.00 29.08 0 B 1 -ATOM 1929 C CE3 . TRP B 1 38 ? 15.958 15.685 -3.397 1.00 25.40 0 B 1 -ATOM 1930 N NE1 . TRP B 1 38 ? 12.732 14.912 -2.109 1.00 31.63 0 B 1 -ATOM 1931 C CZ2 . TRP B 1 38 ? 14.945 14.002 -1.344 1.00 23.42 0 B 1 -ATOM 1932 C CZ3 . TRP B 1 38 ? 16.804 14.907 -2.610 1.00 21.21 0 B 1 -ATOM 1933 C CH2 . TRP B 1 38 ? 16.291 14.076 -1.595 1.00 18.10 0 B 1 -ATOM 1934 N N . GLN B 1 39 ? 11.661 16.164 -7.198 1.00 52.69 0 B 1 -ATOM 1935 C CA . GLN B 1 39 ? 10.611 15.261 -7.665 1.00 56.62 0 B 1 -ATOM 1936 C C . GLN B 1 39 ? 10.977 14.507 -8.939 1.00 56.84 0 B 1 -ATOM 1937 O O . GLN B 1 39 ? 10.292 13.557 -9.322 1.00 60.81 0 B 1 -ATOM 1938 C CB . GLN B 1 39 ? 9.294 16.015 -7.833 1.00 57.23 0 B 1 -ATOM 1939 C CG . GLN B 1 39 ? 8.703 16.459 -6.503 1.00 60.47 0 B 1 -ATOM 1940 C CD . GLN B 1 39 ? 7.534 17.409 -6.652 1.00 65.34 0 B 1 -ATOM 1941 N NE2 . GLN B 1 39 ? 6.802 17.611 -5.565 1.00 64.94 0 B 1 -ATOM 1942 O OE1 . GLN B 1 39 ? 7.303 17.975 -7.724 1.00 67.75 0 B 1 -ATOM 1943 N N . GLU B 1 40 ? 12.064 14.924 -9.586 1.00 57.04 0 B 1 -ATOM 1944 C CA . GLU B 1 40 ? 12.539 14.261 -10.795 1.00 56.97 0 B 1 -ATOM 1945 C C . GLU B 1 40 ? 13.010 12.849 -10.408 1.00 58.80 0 B 1 -ATOM 1946 O O . GLU B 1 40 ? 12.970 11.927 -11.224 1.00 61.94 0 B 1 -ATOM 1947 C CB . GLU B 1 40 ? 13.664 15.079 -11.435 1.00 55.00 0 B 1 -ATOM 1948 C CG . GLU B 1 40 ? 14.194 14.525 -12.744 1.00 60.21 0 B 1 -ATOM 1949 C CD . GLU B 1 40 ? 15.502 13.778 -12.572 1.00 62.90 0 B 1 -ATOM 1950 O OE1 . GLU B 1 40 ? 16.568 14.429 -12.577 1.00 68.20 0 B 1 -ATOM 1951 O OE2 . GLU B 1 40 ? 15.471 12.538 -12.443 1.00 66.48 0 B 1 -ATOM 1952 N N . GLY B 1 41 ? 13.457 12.695 -9.160 1.00 55.91 0 B 1 -ATOM 1953 C CA . GLY B 1 41 ? 13.873 11.392 -8.661 1.00 50.06 0 B 1 -ATOM 1954 C C . GLY B 1 41 ? 15.333 10.985 -8.568 1.00 48.42 0 B 1 -ATOM 1955 O O . GLY B 1 41 ? 15.712 10.304 -7.613 1.00 48.44 0 B 1 -ATOM 1956 N N . SER B 1 42 ? 16.152 11.382 -9.537 1.00 46.90 0 B 1 -ATOM 1957 C CA . SER B 1 42 ? 17.565 11.000 -9.556 1.00 50.18 0 B 1 -ATOM 1958 C C . SER B 1 42 ? 18.397 11.318 -8.310 1.00 46.83 0 B 1 -ATOM 1959 O O . SER B 1 42 ? 19.101 10.443 -7.802 1.00 45.75 0 B 1 -ATOM 1960 C CB . SER B 1 42 ? 18.254 11.561 -10.802 1.00 52.48 0 B 1 -ATOM 1961 O OG . SER B 1 42 ? 18.192 12.975 -10.822 1.00 59.18 0 B 1 -ATOM 1962 N N . LEU B 1 43 ? 18.326 12.559 -7.825 1.00 45.86 0 B 1 -ATOM 1963 C CA . LEU B 1 43 ? 19.088 12.968 -6.640 1.00 40.05 0 B 1 -ATOM 1964 C C . LEU B 1 43 ? 18.646 12.201 -5.389 1.00 34.71 0 B 1 -ATOM 1965 O O . LEU B 1 43 ? 19.483 11.691 -4.642 1.00 35.66 0 B 1 -ATOM 1966 C CB . LEU B 1 43 ? 18.941 14.473 -6.389 1.00 41.14 0 B 1 -ATOM 1967 C CG . LEU B 1 43 ? 20.116 15.266 -5.791 1.00 42.51 0 B 1 -ATOM 1968 C CD1 . LEU B 1 43 ? 19.560 16.342 -4.879 1.00 46.88 0 B 1 -ATOM 1969 C CD2 . LEU B 1 43 ? 21.086 14.386 -5.015 1.00 39.74 0 B 1 -ATOM 1970 N N . LYS B 1 44 ? 17.333 12.136 -5.166 1.00 26.39 0 B 1 -ATOM 1971 C CA . LYS B 1 44 ? 16.767 11.434 -4.014 1.00 29.50 0 B 1 -ATOM 1972 C C . LYS B 1 44 ? 17.281 10.002 -3.946 1.00 34.06 0 B 1 -ATOM 1973 O O . LYS B 1 44 ? 17.657 9.518 -2.880 1.00 34.77 0 B 1 -ATOM 1974 C CB . LYS B 1 44 ? 15.241 11.409 -4.106 1.00 30.20 0 B 1 -ATOM 1975 C CG . LYS B 1 44 ? 14.554 10.883 -2.859 1.00 28.73 0 B 1 -ATOM 1976 C CD . LYS B 1 44 ? 13.084 10.584 -3.116 1.00 29.18 0 B 1 -ATOM 1977 C CE . LYS B 1 44 ? 12.238 10.808 -1.871 1.00 39.73 0 B 1 -ATOM 1978 N NZ . LYS B 1 44 ? 12.829 10.214 -0.639 1.00 29.73 0 B 1 -ATOM 1979 N N . ALA B 1 45 ? 17.320 9.348 -5.105 1.00 36.39 0 B 1 -ATOM 1980 C CA . ALA B 1 45 ? 17.777 7.968 -5.217 1.00 33.03 0 B 1 -ATOM 1981 C C . ALA B 1 45 ? 19.243 7.792 -4.834 1.00 33.05 0 B 1 -ATOM 1982 O O . ALA B 1 45 ? 19.628 6.735 -4.339 1.00 39.78 0 B 1 -ATOM 1983 C CB . ALA B 1 45 ? 17.535 7.454 -6.629 1.00 35.77 0 B 1 -ATOM 1984 N N . SER B 1 46 ? 20.057 8.818 -5.064 1.00 29.59 0 B 1 -ATOM 1985 C CA . SER B 1 46 ? 21.479 8.750 -4.731 1.00 27.14 0 B 1 -ATOM 1986 C C . SER B 1 46 ? 21.775 9.115 -3.277 1.00 26.02 0 B 1 -ATOM 1987 O O . SER B 1 46 ? 22.907 8.956 -2.817 1.00 25.51 0 B 1 -ATOM 1988 C CB . SER B 1 46 ? 22.293 9.644 -5.664 1.00 29.76 0 B 1 -ATOM 1989 O OG . SER B 1 46 ? 21.881 10.995 -5.558 1.00 31.85 0 B 1 -ATOM 1990 N N . CYS B 1 47 ? 20.774 9.645 -2.575 1.00 23.30 0 B 1 -ATOM 1991 C CA . CYS B 1 47 ? 20.923 10.015 -1.166 1.00 23.13 0 B 1 -ATOM 1992 C C . CYS B 1 47 ? 20.761 8.769 -0.303 1.00 23.47 0 B 1 -ATOM 1993 O O . CYS B 1 47 ? 19.778 8.038 -0.453 1.00 21.06 0 B 1 -ATOM 1994 C CB . CYS B 1 47 ? 19.871 11.050 -0.761 1.00 25.29 0 B 1 -ATOM 1995 S SG . CYS B 1 47 ? 20.106 12.681 -1.487 1.00 28.80 0 B 1 -ATOM 1996 N N . LEU B 1 48 ? 21.702 8.558 0.619 1.00 21.12 0 B 1 -ATOM 1997 C CA . LEU B 1 48 ? 21.693 7.396 1.510 1.00 23.28 0 B 1 -ATOM 1998 C C . LEU B 1 48 ? 20.336 7.054 2.132 1.00 23.28 0 B 1 -ATOM 1999 O O . LEU B 1 48 ? 19.904 5.906 2.072 1.00 24.26 0 B 1 -ATOM 2000 C CB . LEU B 1 48 ? 22.740 7.565 2.609 1.00 20.97 0 B 1 -ATOM 2001 C CG . LEU B 1 48 ? 22.899 6.392 3.580 1.00 24.22 0 B 1 -ATOM 2002 C CD1 . LEU B 1 48 ? 23.265 5.123 2.818 1.00 20.50 0 B 1 -ATOM 2003 C CD2 . LEU B 1 48 ? 23.967 6.724 4.606 1.00 21.29 0 B 1 -ATOM 2004 N N . TYR B 1 49 ? 19.674 8.041 2.730 1.00 24.24 0 B 1 -ATOM 2005 C CA . TYR B 1 49 ? 18.364 7.817 3.347 1.00 23.71 0 B 1 -ATOM 2006 C C . TYR B 1 49 ? 17.243 8.473 2.536 1.00 27.62 0 B 1 -ATOM 2007 O O . TYR B 1 49 ? 16.103 8.592 3.013 1.00 33.21 0 B 1 -ATOM 2008 C CB . TYR B 1 49 ? 18.346 8.338 4.789 1.00 14.19 0 B 1 -ATOM 2009 C CG . TYR B 1 49 ? 19.391 7.708 5.687 1.00 12.84 0 B 1 -ATOM 2010 C CD1 . TYR B 1 49 ? 19.335 6.349 6.006 1.00 14.84 0 B 1 -ATOM 2011 C CD2 . TYR B 1 49 ? 20.433 8.468 6.223 1.00 12.74 0 B 1 -ATOM 2012 C CE1 . TYR B 1 49 ? 20.289 5.758 6.835 1.00 15.75 0 B 1 -ATOM 2013 C CE2 . TYR B 1 49 ? 21.394 7.887 7.058 1.00 15.20 0 B 1 -ATOM 2014 C CZ . TYR B 1 49 ? 21.314 6.531 7.360 1.00 17.93 0 B 1 -ATOM 2015 O OH . TYR B 1 49 ? 22.253 5.951 8.189 1.00 20.26 0 B 1 -ATOM 2016 N N . GLY B 1 50 ? 17.576 8.877 1.306 1.00 23.70 0 B 1 -ATOM 2017 C CA . GLY B 1 50 ? 16.614 9.512 0.418 1.00 24.44 0 B 1 -ATOM 2018 C C . GLY B 1 50 ? 16.169 10.891 0.867 1.00 28.77 0 B 1 -ATOM 2019 O O . GLY B 1 50 ? 15.067 11.329 0.532 1.00 27.66 0 B 1 -ATOM 2020 N N . GLN B 1 51 ? 17.017 11.577 1.633 1.00 27.20 0 B 1 -ATOM 2021 C CA . GLN B 1 51 ? 16.677 12.905 2.129 1.00 23.91 0 B 1 -ATOM 2022 C C . GLN B 1 51 ? 17.852 13.870 2.166 1.00 22.69 0 B 1 -ATOM 2023 O O . GLN B 1 51 ? 19.008 13.467 2.050 1.00 22.12 0 B 1 -ATOM 2024 C CB . GLN B 1 51 ? 16.081 12.810 3.538 1.00 23.65 0 B 1 -ATOM 2025 C CG . GLN B 1 51 ? 14.756 12.076 3.632 1.00 25.97 0 B 1 -ATOM 2026 C CD . GLN B 1 51 ? 14.127 12.226 4.994 1.00 27.56 0 B 1 -ATOM 2027 N NE2 . GLN B 1 51 ? 12.881 12.684 5.021 1.00 32.50 0 B 1 -ATOM 2028 O OE1 . GLN B 1 51 ? 14.752 11.954 6.012 1.00 27.33 0 B 1 -ATOM 2029 N N . LEU B 1 52 ? 17.528 15.153 2.307 1.00 24.08 0 B 1 -ATOM 2030 C CA . LEU B 1 52 ? 18.520 16.219 2.414 1.00 18.76 0 B 1 -ATOM 2031 C C . LEU B 1 52 ? 18.382 16.774 3.844 1.00 19.09 0 B 1 -ATOM 2032 O O . LEU B 1 52 ? 17.341 16.601 4.477 1.00 18.27 0 B 1 -ATOM 2033 C CB . LEU B 1 52 ? 18.251 17.310 1.368 1.00 17.97 0 B 1 -ATOM 2034 C CG . LEU B 1 52 ? 18.409 16.899 -0.100 1.00 17.87 0 B 1 -ATOM 2035 C CD1 . LEU B 1 52 ? 18.006 18.047 -1.017 1.00 19.92 0 B 1 -ATOM 2036 C CD2 . LEU B 1 52 ? 19.846 16.468 -0.376 1.00 18.57 0 B 1 -ATOM 2037 N N . PRO B 1 53 ? 19.382 17.522 4.340 1.00 20.60 0 B 1 -ATOM 2038 C CA . PRO B 1 53 ? 20.643 17.930 3.718 1.00 17.36 0 B 1 -ATOM 2039 C C . PRO B 1 53 ? 21.683 16.862 3.415 1.00 19.27 0 B 1 -ATOM 2040 O O . PRO B 1 53 ? 21.692 15.771 3.989 1.00 20.48 0 B 1 -ATOM 2041 C CB . PRO B 1 53 ? 21.200 18.936 4.724 1.00 19.41 0 B 1 -ATOM 2042 C CG . PRO B 1 53 ? 20.752 18.362 6.035 1.00 13.61 0 B 1 -ATOM 2043 C CD . PRO B 1 53 ? 19.311 18.013 5.731 1.00 19.95 0 B 1 -ATOM 2044 N N . LYS B 1 54 ? 22.544 17.215 2.470 1.00 20.26 0 B 1 -ATOM 2045 C CA . LYS B 1 54 ? 23.671 16.408 2.048 1.00 14.30 0 B 1 -ATOM 2046 C C . LYS B 1 54 ? 24.800 17.406 2.267 1.00 13.60 0 B 1 -ATOM 2047 O O . LYS B 1 54 ? 24.646 18.592 1.984 1.00 16.89 0 B 1 -ATOM 2048 C CB . LYS B 1 54 ? 23.562 16.044 0.568 1.00 12.46 0 B 1 -ATOM 2049 C CG . LYS B 1 54 ? 24.774 15.291 0.037 1.00 20.55 0 B 1 -ATOM 2050 C CD . LYS B 1 54 ? 24.657 15.058 -1.453 1.00 24.79 0 B 1 -ATOM 2051 C CE . LYS B 1 54 ? 25.954 14.531 -2.029 1.00 27.06 0 B 1 -ATOM 2052 N NZ . LYS B 1 54 ? 25.850 14.396 -3.504 1.00 31.26 0 B 1 -ATOM 2053 N N . PHE B 1 55 ? 25.926 16.941 2.780 1.00 13.42 0 B 1 -ATOM 2054 C CA . PHE B 1 55 ? 27.038 17.831 3.071 1.00 18.50 0 B 1 -ATOM 2055 C C . PHE B 1 55 ? 28.334 17.255 2.542 1.00 22.01 0 B 1 -ATOM 2056 O O . PHE B 1 55 ? 28.500 16.045 2.471 1.00 19.16 0 B 1 -ATOM 2057 C CB . PHE B 1 55 ? 27.124 18.023 4.588 1.00 16.41 0 B 1 -ATOM 2058 C CG . PHE B 1 55 ? 28.160 19.015 5.034 1.00 17.96 0 B 1 -ATOM 2059 C CD1 . PHE B 1 55 ? 27.916 20.383 4.952 1.00 17.52 0 B 1 -ATOM 2060 C CD2 . PHE B 1 55 ? 29.357 18.578 5.599 1.00 19.77 0 B 1 -ATOM 2061 C CE1 . PHE B 1 55 ? 28.848 21.307 5.433 1.00 11.27 0 B 1 -ATOM 2062 C CE2 . PHE B 1 55 ? 30.297 19.495 6.085 1.00 20.95 0 B 1 -ATOM 2063 C CZ . PHE B 1 55 ? 30.039 20.863 6.001 1.00 13.89 0 B 1 -ATOM 2064 N N . GLN B 1 56 ? 29.243 18.132 2.140 1.00 21.28 0 B 1 -ATOM 2065 C CA . GLN B 1 56 ? 30.529 17.700 1.635 1.00 20.79 0 B 1 -ATOM 2066 C C . GLN B 1 56 ? 31.664 18.498 2.251 1.00 23.23 0 B 1 -ATOM 2067 O O . GLN B 1 56 ? 31.611 19.723 2.347 1.00 24.14 0 B 1 -ATOM 2068 C CB . GLN B 1 56 ? 30.576 17.789 0.108 1.00 24.95 0 B 1 -ATOM 2069 C CG . GLN B 1 56 ? 29.742 16.720 -0.584 1.00 30.61 0 B 1 -ATOM 2070 C CD . GLN B 1 56 ? 29.643 16.915 -2.085 1.00 37.29 0 B 1 -ATOM 2071 N NE2 . GLN B 1 56 ? 29.414 15.824 -2.807 1.00 44.15 0 B 1 -ATOM 2072 O OE1 . GLN B 1 56 ? 29.760 18.034 -2.593 1.00 38.31 0 B 1 -ATOM 2073 N N . ASP B 1 57 ? 32.649 17.764 2.746 1.00 21.60 0 B 1 -ATOM 2074 C CA . ASP B 1 57 ? 33.839 18.329 3.344 1.00 23.99 0 B 1 -ATOM 2075 C C . ASP B 1 57 ? 34.932 17.612 2.565 1.00 27.04 0 B 1 -ATOM 2076 O O . ASP B 1 57 ? 35.308 16.486 2.898 1.00 28.71 0 B 1 -ATOM 2077 C CB . ASP B 1 57 ? 33.904 17.972 4.832 1.00 21.13 0 B 1 -ATOM 2078 C CG . ASP B 1 57 ? 35.151 18.511 5.512 1.00 29.83 0 B 1 -ATOM 2079 O OD1 . ASP B 1 57 ? 35.960 19.213 4.863 1.00 34.77 0 B 1 -ATOM 2080 O OD2 . ASP B 1 57 ? 35.323 18.240 6.716 1.00 29.43 0 B 1 -ATOM 2081 N N . GLY B 1 58 ? 35.412 18.252 1.502 1.00 28.19 0 B 1 -ATOM 2082 C CA . GLY B 1 58 ? 36.419 17.622 0.668 1.00 24.07 0 B 1 -ATOM 2083 C C . GLY B 1 58 ? 35.688 16.504 -0.049 1.00 25.17 0 B 1 -ATOM 2084 O O . GLY B 1 58 ? 34.625 16.734 -0.627 1.00 29.51 0 B 1 -ATOM 2085 N N . ASP B 1 59 ? 36.210 15.285 0.025 1.00 28.44 0 B 1 -ATOM 2086 C CA . ASP B 1 59 ? 35.540 14.163 -0.624 1.00 30.63 0 B 1 -ATOM 2087 C C . ASP B 1 59 ? 34.660 13.365 0.345 1.00 31.12 0 B 1 -ATOM 2088 O O . ASP B 1 59 ? 34.103 12.326 -0.021 1.00 33.47 0 B 1 -ATOM 2089 C CB . ASP B 1 59 ? 36.545 13.257 -1.356 1.00 31.64 0 B 1 -ATOM 2090 C CG . ASP B 1 59 ? 37.405 12.430 -0.414 1.00 27.74 0 B 1 -ATOM 2091 O OD1 . ASP B 1 59 ? 37.603 12.835 0.758 1.00 28.29 0 B 1 -ATOM 2092 O OD2 . ASP B 1 59 ? 37.898 11.372 -0.869 1.00 28.97 0 B 1 -ATOM 2093 N N . LEU B 1 60 ? 34.542 13.859 1.579 1.00 30.41 0 B 1 -ATOM 2094 C CA . LEU B 1 60 ? 33.711 13.213 2.591 1.00 23.21 0 B 1 -ATOM 2095 C C . LEU B 1 60 ? 32.281 13.697 2.385 1.00 20.38 0 B 1 -ATOM 2096 O O . LEU B 1 60 ? 32.010 14.895 2.466 1.00 15.91 0 B 1 -ATOM 2097 C CB . LEU B 1 60 ? 34.175 13.600 3.999 1.00 25.65 0 B 1 -ATOM 2098 C CG . LEU B 1 60 ? 33.950 12.636 5.174 1.00 23.20 0 B 1 -ATOM 2099 C CD1 . LEU B 1 60 ? 33.643 13.432 6.425 1.00 17.98 0 B 1 -ATOM 2100 C CD2 . LEU B 1 60 ? 32.828 11.654 4.896 1.00 16.50 0 B 1 -ATOM 2101 N N . THR B 1 61 ? 31.378 12.767 2.094 1.00 23.88 0 B 1 -ATOM 2102 C CA . THR B 1 61 ? 29.975 13.092 1.882 1.00 22.51 0 B 1 -ATOM 2103 C C . THR B 1 61 ? 29.190 12.613 3.100 1.00 23.12 0 B 1 -ATOM 2104 O O . THR B 1 61 ? 29.277 11.445 3.483 1.00 21.55 0 B 1 -ATOM 2105 C CB . THR B 1 61 ? 29.432 12.417 0.606 1.00 22.40 0 B 1 -ATOM 2106 C CG2 . THR B 1 61 ? 27.949 12.727 0.413 1.00 21.65 0 B 1 -ATOM 2107 O OG1 . THR B 1 61 ? 30.171 12.885 -0.530 1.00 24.13 0 B 1 -ATOM 2108 N N . LEU B 1 62 ? 28.434 13.525 3.704 1.00 21.64 0 B 1 -ATOM 2109 C CA . LEU B 1 62 ? 27.642 13.230 4.891 1.00 17.75 0 B 1 -ATOM 2110 C C . LEU B 1 62 ? 26.154 13.511 4.715 1.00 19.65 0 B 1 -ATOM 2111 O O . LEU B 1 62 ? 25.751 14.300 3.862 1.00 23.89 0 B 1 -ATOM 2112 C CB . LEU B 1 62 ? 28.156 14.069 6.068 1.00 11.82 0 B 1 -ATOM 2113 C CG . LEU B 1 62 ? 29.161 13.533 7.094 1.00 14.10 0 B 1 -ATOM 2114 C CD1 . LEU B 1 62 ? 29.833 12.251 6.641 1.00 11.80 0 B 1 -ATOM 2115 C CD2 . LEU B 1 62 ? 30.181 14.617 7.399 1.00 9.23 0 B 1 -ATOM 2116 N N . TYR B 1 63 ? 25.348 12.821 5.513 1.00 15.53 0 B 1 -ATOM 2117 C CA . TYR B 1 63 ? 23.902 13.007 5.536 1.00 16.00 0 B 1 -ATOM 2118 C C . TYR B 1 63 ? 23.547 13.126 7.016 1.00 16.11 0 B 1 -ATOM 2119 O O . TYR B 1 63 ? 24.398 12.882 7.872 1.00 15.17 0 B 1 -ATOM 2120 C CB . TYR B 1 63 ? 23.171 11.825 4.889 1.00 16.23 0 B 1 -ATOM 2121 C CG . TYR B 1 63 ? 23.450 11.685 3.412 1.00 15.43 0 B 1 -ATOM 2122 C CD1 . TYR B 1 63 ? 22.657 12.343 2.471 1.00 18.53 0 B 1 -ATOM 2123 C CD2 . TYR B 1 63 ? 24.521 10.918 2.952 1.00 16.61 0 B 1 -ATOM 2124 C CE1 . TYR B 1 63 ? 22.923 12.250 1.110 1.00 14.71 0 B 1 -ATOM 2125 C CE2 . TYR B 1 63 ? 24.797 10.818 1.590 1.00 18.86 0 B 1 -ATOM 2126 C CZ . TYR B 1 63 ? 23.994 11.488 0.674 1.00 17.28 0 B 1 -ATOM 2127 O OH . TYR B 1 63 ? 24.276 11.412 -0.670 1.00 22.28 0 B 1 -ATOM 2128 N N . GLN B 1 64 ? 22.310 13.522 7.310 1.00 18.33 0 B 1 -ATOM 2129 C CA . GLN B 1 64 ? 21.836 13.696 8.685 1.00 15.45 0 B 1 -ATOM 2130 C C . GLN B 1 64 ? 22.383 15.003 9.270 1.00 16.13 0 B 1 -ATOM 2131 O O . GLN B 1 64 ? 23.583 15.137 9.514 1.00 18.87 0 B 1 -ATOM 2132 C CB . GLN B 1 64 ? 22.230 12.490 9.551 1.00 17.45 0 B 1 -ATOM 2133 C CG . GLN B 1 64 ? 21.594 11.170 9.112 1.00 14.78 0 B 1 -ATOM 2134 C CD . GLN B 1 64 ? 20.127 11.068 9.493 1.00 23.27 0 B 1 -ATOM 2135 N NE2 . GLN B 1 64 ? 19.499 9.946 9.151 1.00 24.01 0 B 1 -ATOM 2136 O OE1 . GLN B 1 64 ? 19.565 11.983 10.087 1.00 24.14 0 B 1 -ATOM 2137 N N . SER B 1 65 ? 21.486 15.962 9.485 1.00 12.73 0 B 1 -ATOM 2138 C CA . SER B 1 65 ? 21.850 17.276 10.004 1.00 12.51 0 B 1 -ATOM 2139 C C . SER B 1 65 ? 22.703 17.242 11.274 1.00 11.81 0 B 1 -ATOM 2140 O O . SER B 1 65 ? 23.700 17.964 11.365 1.00 15.58 0 B 1 -ATOM 2141 C CB . SER B 1 65 ? 20.598 18.118 10.231 1.00 11.16 0 B 1 -ATOM 2142 O OG . SER B 1 65 ? 19.717 17.484 11.140 1.00 11.48 0 B 1 -ATOM 2143 N N . ASN B 1 66 ? 22.332 16.392 12.232 1.00 12.83 0 B 1 -ATOM 2144 C CA . ASN B 1 66 ? 23.085 16.286 13.484 1.00 10.07 0 B 1 -ATOM 2145 C C . ASN B 1 66 ? 24.467 15.659 13.316 1.00 8.03 0 B 1 -ATOM 2146 O O . ASN B 1 66 ? 25.384 15.963 14.080 1.00 13.88 0 B 1 -ATOM 2147 C CB . ASN B 1 66 ? 22.277 15.536 14.550 1.00 11.02 0 B 1 -ATOM 2148 C CG . ASN B 1 66 ? 21.072 16.325 15.011 1.00 4.51 0 B 1 -ATOM 2149 N ND2 . ASN B 1 66 ? 19.884 15.766 14.821 1.00 8.90 0 B 1 -ATOM 2150 O OD1 . ASN B 1 66 ? 21.211 17.435 15.525 1.00 13.67 0 B 1 -ATOM 2151 N N . THR B 1 67 ? 24.619 14.775 12.331 1.00 11.64 0 B 1 -ATOM 2152 C CA . THR B 1 67 ? 25.917 14.162 12.058 1.00 15.35 0 B 1 -ATOM 2153 C C . THR B 1 67 ? 26.813 15.281 11.531 1.00 11.18 0 B 1 -ATOM 2154 O O . THR B 1 67 ? 27.978 15.382 11.898 1.00 15.08 0 B 1 -ATOM 2155 C CB . THR B 1 67 ? 25.813 13.043 11.010 1.00 12.27 0 B 1 -ATOM 2156 C CG2 . THR B 1 67 ? 27.182 12.605 10.546 1.00 12.54 0 B 1 -ATOM 2157 O OG1 . THR B 1 67 ? 25.137 11.924 11.586 1.00 14.39 0 B 1 -ATOM 2158 N N . ILE B 1 68 ? 26.239 16.141 10.693 1.00 13.26 0 B 1 -ATOM 2159 C CA . ILE B 1 68 ? 26.965 17.275 10.130 1.00 13.39 0 B 1 -ATOM 2160 C C . ILE B 1 68 ? 27.392 18.204 11.272 1.00 14.17 0 B 1 -ATOM 2161 O O . ILE B 1 68 ? 28.549 18.622 11.333 1.00 12.19 0 B 1 -ATOM 2162 C CB . ILE B 1 68 ? 26.089 18.036 9.109 1.00 13.10 0 B 1 -ATOM 2163 C CG1 . ILE B 1 68 ? 25.690 17.090 7.972 1.00 7.65 0 B 1 -ATOM 2164 C CG2 . ILE B 1 68 ? 26.846 19.242 8.554 1.00 6.73 0 B 1 -ATOM 2165 C CD1 . ILE B 1 68 ? 24.511 17.563 7.158 1.00 11.73 0 B 1 -ATOM 2166 N N . LEU B 1 69 ? 26.470 18.492 12.192 1.00 10.14 0 B 1 -ATOM 2167 C CA . LEU B 1 69 ? 26.774 19.346 13.342 1.00 6.69 0 B 1 -ATOM 2168 C C . LEU B 1 69 ? 27.904 18.758 14.187 1.00 11.27 0 B 1 -ATOM 2169 O O . LEU B 1 69 ? 28.863 19.456 14.527 1.00 20.78 0 B 1 -ATOM 2170 C CB . LEU B 1 69 ? 25.532 19.556 14.215 1.00 8.01 0 B 1 -ATOM 2171 C CG . LEU B 1 69 ? 24.531 20.606 13.735 1.00 14.20 0 B 1 -ATOM 2172 C CD1 . LEU B 1 69 ? 23.316 20.609 14.632 1.00 8.39 0 B 1 -ATOM 2173 C CD2 . LEU B 1 69 ? 25.189 21.984 13.736 1.00 15.97 0 B 1 -ATOM 2174 N N . ARG B 1 70 ? 27.813 17.462 14.483 1.00 12.45 0 B 1 -ATOM 2175 C CA . ARG B 1 70 ? 28.833 16.794 15.287 1.00 12.81 0 B 1 -ATOM 2176 C C . ARG B 1 70 ? 30.183 16.747 14.589 1.00 14.51 0 B 1 -ATOM 2177 O O . ARG B 1 70 ? 31.228 16.885 15.230 1.00 15.19 0 B 1 -ATOM 2178 C CB . ARG B 1 70 ? 28.378 15.391 15.690 1.00 11.01 0 B 1 -ATOM 2179 C CG . ARG B 1 70 ? 27.299 15.417 16.749 1.00 9.96 0 B 1 -ATOM 2180 C CD . ARG B 1 70 ? 26.967 14.039 17.299 1.00 14.20 0 B 1 -ATOM 2181 N NE . ARG B 1 70 ? 26.195 14.177 18.530 1.00 11.80 0 B 1 -ATOM 2182 C CZ . ARG B 1 70 ? 24.867 14.161 18.600 1.00 10.51 0 B 1 -ATOM 2183 N NH1 . ARG B 1 70 ? 24.140 13.991 17.503 1.00 15.75 0 B 1 -ATOM 2184 N NH2 . ARG B 1 70 ? 24.264 14.389 19.760 1.00 13.22 0 B 1 -ATOM 2185 N N . HIS B 1 71 ? 30.154 16.584 13.270 1.00 11.07 0 B 1 -ATOM 2186 C CA . HIS B 1 71 ? 31.377 16.538 12.484 1.00 15.16 0 B 1 -ATOM 2187 C C . HIS B 1 71 ? 32.098 17.883 12.556 1.00 15.92 0 B 1 -ATOM 2188 O O . HIS B 1 71 ? 33.309 17.940 12.777 1.00 19.34 0 B 1 -ATOM 2189 C CB . HIS B 1 71 ? 31.061 16.192 11.029 1.00 15.84 0 B 1 -ATOM 2190 C CG . HIS B 1 71 ? 32.245 16.289 10.127 1.00 14.29 0 B 1 -ATOM 2191 C CD2 . HIS B 1 71 ? 32.519 17.127 9.101 1.00 12.78 0 B 1 -ATOM 2192 N ND1 . HIS B 1 71 ? 33.357 15.491 10.279 1.00 14.54 0 B 1 -ATOM 2193 C CE1 . HIS B 1 71 ? 34.270 15.836 9.388 1.00 13.26 0 B 1 -ATOM 2194 N NE2 . HIS B 1 71 ? 33.786 16.828 8.662 1.00 17.57 0 B 1 -ATOM 2195 N N . LEU B 1 72 ? 31.345 18.959 12.349 1.00 19.01 0 B 1 -ATOM 2196 C CA . LEU B 1 72 ? 31.890 20.314 12.404 1.00 19.67 0 B 1 -ATOM 2197 C C . LEU B 1 72 ? 32.360 20.642 13.825 1.00 19.24 0 B 1 -ATOM 2198 O O . LEU B 1 72 ? 33.411 21.261 14.010 1.00 16.98 0 B 1 -ATOM 2199 C CB . LEU B 1 72 ? 30.833 21.325 11.944 1.00 14.89 0 B 1 -ATOM 2200 C CG . LEU B 1 72 ? 30.828 21.810 10.486 1.00 18.28 0 B 1 -ATOM 2201 C CD1 . LEU B 1 72 ? 31.622 20.888 9.583 1.00 15.36 0 B 1 -ATOM 2202 C CD2 . LEU B 1 72 ? 29.393 21.953 9.991 1.00 3.85 0 B 1 -ATOM 2203 N N . GLY B 1 73 ? 31.594 20.197 14.821 1.00 23.32 0 B 1 -ATOM 2204 C CA . GLY B 1 73 ? 31.957 20.446 16.206 1.00 19.52 0 B 1 -ATOM 2205 C C . GLY B 1 73 ? 33.255 19.749 16.563 1.00 19.66 0 B 1 -ATOM 2206 O O . GLY B 1 73 ? 34.080 20.275 17.301 1.00 18.15 0 B 1 -ATOM 2207 N N . ARG B 1 74 ? 33.459 18.575 15.984 1.00 22.42 0 B 1 -ATOM 2208 C CA . ARG B 1 74 ? 34.656 17.789 16.232 1.00 24.70 0 B 1 -ATOM 2209 C C . ARG B 1 74 ? 35.887 18.368 15.528 1.00 24.77 0 B 1 -ATOM 2210 O O . ARG B 1 74 ? 36.944 18.524 16.140 1.00 28.09 0 B 1 -ATOM 2211 C CB . ARG B 1 74 ? 34.399 16.351 15.776 1.00 25.52 0 B 1 -ATOM 2212 C CG . ARG B 1 74 ? 35.316 15.295 16.361 1.00 24.37 0 B 1 -ATOM 2213 C CD . ARG B 1 74 ? 34.562 13.971 16.477 1.00 24.88 0 B 1 -ATOM 2214 N NE . ARG B 1 74 ? 33.709 13.769 15.313 1.00 20.78 0 B 1 -ATOM 2215 C CZ . ARG B 1 74 ? 32.470 13.288 15.352 1.00 16.49 0 B 1 -ATOM 2216 N NH1 . ARG B 1 74 ? 31.919 12.931 16.502 1.00 4.74 0 B 1 -ATOM 2217 N NH2 . ARG B 1 74 ? 31.748 13.248 14.242 1.00 20.10 0 B 1 -ATOM 2218 N N . THR B 1 75 ? 35.740 18.711 14.250 1.00 23.47 0 B 1 -ATOM 2219 C CA . THR B 1 75 ? 36.852 19.252 13.466 1.00 20.60 0 B 1 -ATOM 2220 C C . THR B 1 75 ? 37.203 20.705 13.780 1.00 20.17 0 B 1 -ATOM 2221 O O . THR B 1 75 ? 38.362 21.099 13.670 1.00 23.34 0 B 1 -ATOM 2222 C CB . THR B 1 75 ? 36.596 19.118 11.949 1.00 21.35 0 B 1 -ATOM 2223 C CG2 . THR B 1 75 ? 36.543 17.648 11.536 1.00 12.30 0 B 1 -ATOM 2224 O OG1 . THR B 1 75 ? 35.351 19.744 11.617 1.00 20.74 0 B 1 -ATOM 2225 N N . LEU B 1 76 ? 36.206 21.494 14.171 1.00 20.46 0 B 1 -ATOM 2226 C CA . LEU B 1 76 ? 36.416 22.904 14.497 1.00 15.23 0 B 1 -ATOM 2227 C C . LEU B 1 76 ? 36.640 23.192 15.986 1.00 14.91 0 B 1 -ATOM 2228 O O . LEU B 1 76 ? 36.898 24.333 16.366 1.00 19.71 0 B 1 -ATOM 2229 C CB . LEU B 1 76 ? 35.251 23.743 13.971 1.00 14.56 0 B 1 -ATOM 2230 C CG . LEU B 1 76 ? 35.359 24.339 12.566 1.00 13.06 0 B 1 -ATOM 2231 C CD1 . LEU B 1 76 ? 36.216 23.475 11.659 1.00 15.21 0 B 1 -ATOM 2232 C CD2 . LEU B 1 76 ? 33.962 24.527 11.995 1.00 15.67 0 B 1 -ATOM 2233 N N . GLY B 1 77 ? 36.537 22.160 16.822 1.00 18.34 0 B 1 -ATOM 2234 C CA . GLY B 1 77 ? 36.747 22.332 18.252 1.00 19.68 0 B 1 -ATOM 2235 C C . GLY B 1 77 ? 35.595 22.964 19.020 1.00 22.38 0 B 1 -ATOM 2236 O O . GLY B 1 77 ? 35.814 23.785 19.912 1.00 20.58 0 B 1 -ATOM 2237 N N . LEU B 1 78 ? 34.369 22.585 18.670 1.00 14.63 0 B 1 -ATOM 2238 C CA . LEU B 1 78 ? 33.165 23.092 19.325 1.00 16.75 0 B 1 -ATOM 2239 C C . LEU B 1 78 ? 32.432 21.911 19.972 1.00 17.07 0 B 1 -ATOM 2240 O O . LEU B 1 78 ? 31.208 21.791 19.861 1.00 12.61 0 B 1 -ATOM 2241 C CB . LEU B 1 78 ? 32.247 23.751 18.288 1.00 15.81 0 B 1 -ATOM 2242 C CG . LEU B 1 78 ? 32.854 24.715 17.265 1.00 15.15 0 B 1 -ATOM 2243 C CD1 . LEU B 1 78 ? 31.762 25.193 16.324 1.00 16.96 0 B 1 -ATOM 2244 C CD2 . LEU B 1 78 ? 33.512 25.889 17.962 1.00 7.14 0 B 1 -ATOM 2245 N N . TYR B 1 79 ? 33.180 21.071 20.686 1.00 19.46 0 B 1 -ATOM 2246 C CA . TYR B 1 79 ? 32.618 19.874 21.312 1.00 19.01 0 B 1 -ATOM 2247 C C . TYR B 1 79 ? 33.033 19.698 22.782 1.00 21.35 0 B 1 -ATOM 2248 O O . TYR B 1 79 ? 33.209 18.571 23.251 1.00 22.00 0 B 1 -ATOM 2249 C CB . TYR B 1 79 ? 33.076 18.653 20.502 1.00 18.89 0 B 1 -ATOM 2250 C CG . TYR B 1 79 ? 32.037 17.573 20.309 1.00 10.76 0 B 1 -ATOM 2251 C CD1 . TYR B 1 79 ? 31.193 17.188 21.353 1.00 9.22 0 B 1 -ATOM 2252 C CD2 . TYR B 1 79 ? 31.906 16.929 19.079 1.00 7.06 0 B 1 -ATOM 2253 C CE1 . TYR B 1 79 ? 30.243 16.189 21.177 1.00 11.72 0 B 1 -ATOM 2254 C CE2 . TYR B 1 79 ? 30.960 15.927 18.891 1.00 7.18 0 B 1 -ATOM 2255 C CZ . TYR B 1 79 ? 30.129 15.563 19.946 1.00 13.15 0 B 1 -ATOM 2256 O OH . TYR B 1 79 ? 29.176 14.589 19.760 1.00 15.08 0 B 1 -ATOM 2257 N N . GLY B 1 80 ? 33.160 20.807 23.508 1.00 19.80 0 B 1 -ATOM 2258 C CA . GLY B 1 80 ? 33.561 20.748 24.908 1.00 12.19 0 B 1 -ATOM 2259 C C . GLY B 1 80 ? 35.066 20.664 25.082 1.00 15.73 0 B 1 -ATOM 2260 O O . GLY B 1 80 ? 35.788 20.366 24.130 1.00 15.99 0 B 1 -ATOM 2261 N N . LYS B 1 81 ? 35.547 20.902 26.299 1.00 14.72 0 B 1 -ATOM 2262 C CA . LYS B 1 81 ? 36.982 20.858 26.564 1.00 22.97 0 B 1 -ATOM 2263 C C . LYS B 1 81 ? 37.467 19.447 26.886 1.00 19.89 0 B 1 -ATOM 2264 O O . LYS B 1 81 ? 38.660 19.159 26.798 1.00 19.25 0 B 1 -ATOM 2265 C CB . LYS B 1 81 ? 37.359 21.824 27.693 1.00 30.55 0 B 1 -ATOM 2266 C CG . LYS B 1 81 ? 36.887 21.391 29.062 1.00 31.93 0 B 1 -ATOM 2267 C CD . LYS B 1 81 ? 37.378 22.337 30.143 1.00 37.60 0 B 1 -ATOM 2268 C CE . LYS B 1 81 ? 37.171 21.740 31.527 1.00 40.93 0 B 1 -ATOM 2269 N NZ . LYS B 1 81 ? 35.744 21.403 31.797 1.00 51.28 0 B 1 -ATOM 2270 N N . ASP B 1 82 ? 36.541 18.570 27.260 1.00 21.42 0 B 1 -ATOM 2271 C CA . ASP B 1 82 ? 36.883 17.188 27.580 1.00 25.99 0 B 1 -ATOM 2272 C C . ASP B 1 82 ? 35.704 16.241 27.343 1.00 21.69 0 B 1 -ATOM 2273 O O . ASP B 1 82 ? 34.642 16.671 26.892 1.00 16.34 0 B 1 -ATOM 2274 C CB . ASP B 1 82 ? 37.418 17.072 29.019 1.00 25.13 0 B 1 -ATOM 2275 C CG . ASP B 1 82 ? 36.453 17.617 30.071 1.00 23.40 0 B 1 -ATOM 2276 O OD1 . ASP B 1 82 ? 35.220 17.546 29.888 1.00 24.50 0 B 1 -ATOM 2277 O OD2 . ASP B 1 82 ? 36.942 18.108 31.108 1.00 28.21 0 B 1 -ATOM 2278 N N . GLN B 1 83 ? 35.884 14.960 27.665 1.00 18.02 0 B 1 -ATOM 2279 C CA . GLN B 1 83 ? 34.834 13.962 27.465 1.00 20.57 0 B 1 -ATOM 2280 C C . GLN B 1 83 ? 33.572 14.230 28.261 1.00 22.09 0 B 1 -ATOM 2281 O O . GLN B 1 83 ? 32.466 14.012 27.765 1.00 17.96 0 B 1 -ATOM 2282 C CB . GLN B 1 83 ? 35.340 12.555 27.766 1.00 23.75 0 B 1 -ATOM 2283 C CG . GLN B 1 83 ? 36.347 12.027 26.760 1.00 32.41 0 B 1 -ATOM 2284 C CD . GLN B 1 83 ? 36.828 10.626 27.100 1.00 33.11 0 B 1 -ATOM 2285 N NE2 . GLN B 1 83 ? 36.837 10.292 28.390 1.00 31.37 0 B 1 -ATOM 2286 O OE1 . GLN B 1 83 ? 37.203 9.861 26.217 1.00 31.05 0 B 1 -ATOM 2287 N N . GLN B 1 84 ? 33.729 14.703 29.492 1.00 22.56 0 B 1 -ATOM 2288 C CA . GLN B 1 84 ? 32.572 15.001 30.328 1.00 24.05 0 B 1 -ATOM 2289 C C . GLN B 1 84 ? 31.706 16.068 29.664 1.00 23.71 0 B 1 -ATOM 2290 O O . GLN B 1 84 ? 30.487 15.904 29.555 1.00 23.56 0 B 1 -ATOM 2291 C CB . GLN B 1 84 ? 33.003 15.462 31.721 1.00 28.26 0 B 1 -ATOM 2292 C CG . GLN B 1 84 ? 31.832 15.842 32.616 1.00 37.55 0 B 1 -ATOM 2293 C CD . GLN B 1 84 ? 32.243 16.103 34.049 1.00 43.75 0 B 1 -ATOM 2294 N NE2 . GLN B 1 84 ? 31.713 17.174 34.631 1.00 50.73 0 B 1 -ATOM 2295 O OE1 . GLN B 1 84 ? 33.021 15.347 34.629 1.00 44.98 0 B 1 -ATOM 2296 N N . GLU B 1 85 ? 32.346 17.141 29.197 1.00 16.23 0 B 1 -ATOM 2297 C CA . GLU B 1 85 ? 31.629 18.223 28.526 1.00 17.26 0 B 1 -ATOM 2298 C C . GLU B 1 85 ? 31.038 17.732 27.213 1.00 17.00 0 B 1 -ATOM 2299 O O . GLU B 1 85 ? 29.926 18.118 26.856 1.00 18.48 0 B 1 -ATOM 2300 C CB . GLU B 1 85 ? 32.541 19.426 28.269 1.00 15.96 0 B 1 -ATOM 2301 C CG . GLU B 1 85 ? 33.034 20.106 29.532 1.00 18.26 0 B 1 -ATOM 2302 C CD . GLU B 1 85 ? 33.398 21.567 29.325 1.00 19.69 0 B 1 -ATOM 2303 O OE1 . GLU B 1 85 ? 33.661 21.982 28.173 1.00 14.25 0 B 1 -ATOM 2304 O OE2 . GLU B 1 85 ? 33.404 22.308 30.332 1.00 21.88 0 B 1 -ATOM 2305 N N . ALA B 1 86 ? 31.776 16.866 26.514 1.00 10.35 0 B 1 -ATOM 2306 C CA . ALA B 1 86 ? 31.319 16.303 25.245 1.00 12.38 0 B 1 -ATOM 2307 C C . ALA B 1 86 ? 30.008 15.557 25.452 1.00 15.80 0 B 1 -ATOM 2308 O O . ALA B 1 86 ? 29.086 15.662 24.636 1.00 19.57 0 B 1 -ATOM 2309 C CB . ALA B 1 86 ? 32.370 15.372 24.672 1.00 8.65 0 B 1 -ATOM 2310 N N . ALA B 1 87 ? 29.919 14.829 26.565 1.00 10.48 0 B 1 -ATOM 2311 C CA . ALA B 1 87 ? 28.711 14.078 26.897 1.00 11.28 0 B 1 -ATOM 2312 C C . ALA B 1 87 ? 27.547 15.033 27.175 1.00 10.81 0 B 1 -ATOM 2313 O O . ALA B 1 87 ? 26.414 14.784 26.757 1.00 8.81 0 B 1 -ATOM 2314 C CB . ALA B 1 87 ? 28.963 13.181 28.101 1.00 8.50 0 B 1 -ATOM 2315 N N . LEU B 1 88 ? 27.836 16.138 27.862 1.00 15.07 0 B 1 -ATOM 2316 C CA . LEU B 1 88 ? 26.813 17.132 28.189 1.00 15.81 0 B 1 -ATOM 2317 C C . LEU B 1 88 ? 26.309 17.856 26.939 1.00 14.54 0 B 1 -ATOM 2318 O O . LEU B 1 88 ? 25.115 18.135 26.813 1.00 21.48 0 B 1 -ATOM 2319 C CB . LEU B 1 88 ? 27.346 18.130 29.221 1.00 12.21 0 B 1 -ATOM 2320 C CG . LEU B 1 88 ? 27.814 17.500 30.538 1.00 16.17 0 B 1 -ATOM 2321 C CD1 . LEU B 1 88 ? 28.291 18.577 31.499 1.00 11.56 0 B 1 -ATOM 2322 C CD2 . LEU B 1 88 ? 26.685 16.686 31.159 1.00 4.00 0 B 1 -ATOM 2323 N N . VAL B 1 89 ? 27.222 18.129 26.006 1.00 14.12 0 B 1 -ATOM 2324 C CA . VAL B 1 89 ? 26.884 18.790 24.745 1.00 10.84 0 B 1 -ATOM 2325 C C . VAL B 1 89 ? 25.902 17.905 23.963 1.00 12.72 0 B 1 -ATOM 2326 O O . VAL B 1 89 ? 24.910 18.398 23.412 1.00 12.31 0 B 1 -ATOM 2327 C CB . VAL B 1 89 ? 28.152 19.048 23.890 1.00 13.04 0 B 1 -ATOM 2328 C CG1 . VAL B 1 89 ? 27.769 19.597 22.529 1.00 14.12 0 B 1 -ATOM 2329 C CG2 . VAL B 1 89 ? 29.079 20.024 24.603 1.00 9.48 0 B 1 -ATOM 2330 N N . ASP B 1 90 ? 26.182 16.598 23.937 1.00 13.04 0 B 1 -ATOM 2331 C CA . ASP B 1 90 ? 25.326 15.624 23.261 1.00 12.60 0 B 1 -ATOM 2332 C C . ASP B 1 90 ? 23.949 15.585 23.907 1.00 14.82 0 B 1 -ATOM 2333 O O . ASP B 1 90 ? 22.933 15.535 23.218 1.00 16.20 0 B 1 -ATOM 2334 C CB . ASP B 1 90 ? 25.940 14.218 23.323 1.00 14.73 0 B 1 -ATOM 2335 C CG . ASP B 1 90 ? 27.019 14.002 22.289 1.00 8.94 0 B 1 -ATOM 2336 O OD1 . ASP B 1 90 ? 26.959 14.637 21.213 1.00 11.82 0 B 1 -ATOM 2337 O OD2 . ASP B 1 90 ? 27.936 13.204 22.566 1.00 10.48 0 B 1 -ATOM 2338 N N . MET B 1 91 ? 23.924 15.588 25.238 1.00 15.38 0 B 1 -ATOM 2339 C CA . MET B 1 91 ? 22.672 15.555 25.986 1.00 9.69 0 B 1 -ATOM 2340 C C . MET B 1 91 ? 21.813 16.771 25.659 1.00 6.22 0 B 1 -ATOM 2341 O O . MET B 1 91 ? 20.588 16.663 25.543 1.00 9.91 0 B 1 -ATOM 2342 C CB . MET B 1 91 ? 22.956 15.477 27.488 1.00 7.41 0 B 1 -ATOM 2343 C CG . MET B 1 91 ? 21.707 15.396 28.351 1.00 14.08 0 B 1 -ATOM 2344 S SD . MET B 1 91 ? 22.102 15.155 30.091 1.00 21.25 0 B 1 -ATOM 2345 C CE . MET B 1 91 ? 23.017 16.647 30.464 1.00 26.47 0 B 1 -ATOM 2346 N N . VAL B 1 92 ? 22.458 17.927 25.515 1.00 9.36 0 B 1 -ATOM 2347 C CA . VAL B 1 92 ? 21.746 19.157 25.170 1.00 8.98 0 B 1 -ATOM 2348 C C . VAL B 1 92 ? 21.214 19.040 23.741 1.00 9.84 0 B 1 -ATOM 2349 O O . VAL B 1 92 ? 20.031 19.262 23.500 1.00 9.20 0 B 1 -ATOM 2350 C CB . VAL B 1 92 ? 22.671 20.407 25.281 1.00 9.32 0 B 1 -ATOM 2351 C CG1 . VAL B 1 92 ? 21.952 21.644 24.752 1.00 11.47 0 B 1 -ATOM 2352 C CG2 . VAL B 1 92 ? 23.086 20.631 26.732 1.00 5.81 0 B 1 -ATOM 2353 N N . ASN B 1 93 ? 22.072 18.629 22.808 1.00 11.65 0 B 1 -ATOM 2354 C CA . ASN B 1 93 ? 21.668 18.489 21.410 1.00 10.26 0 B 1 -ATOM 2355 C C . ASN B 1 93 ? 20.535 17.488 21.208 1.00 14.69 0 B 1 -ATOM 2356 O O . ASN B 1 93 ? 19.615 17.745 20.426 1.00 16.87 0 B 1 -ATOM 2357 C CB . ASN B 1 93 ? 22.855 18.117 20.516 1.00 11.24 0 B 1 -ATOM 2358 C CG . ASN B 1 93 ? 22.628 18.539 19.071 1.00 13.05 0 B 1 -ATOM 2359 N ND2 . ASN B 1 93 ? 22.480 17.570 18.173 1.00 9.83 0 B 1 -ATOM 2360 O OD1 . ASN B 1 93 ? 22.579 19.731 18.777 1.00 14.43 0 B 1 -ATOM 2361 N N . ASP B 1 94 ? 20.599 16.355 21.910 1.00 12.39 0 B 1 -ATOM 2362 C CA . ASP B 1 94 ? 19.549 15.339 21.806 1.00 9.81 0 B 1 -ATOM 2363 C C . ASP B 1 94 ? 18.238 15.923 22.316 1.00 10.61 0 B 1 -ATOM 2364 O O . ASP B 1 94 ? 17.166 15.611 21.793 1.00 8.62 0 B 1 -ATOM 2365 C CB . ASP B 1 94 ? 19.918 14.083 22.604 1.00 12.52 0 B 1 -ATOM 2366 C CG . ASP B 1 94 ? 21.011 13.259 21.939 1.00 16.62 0 B 1 -ATOM 2367 O OD1 . ASP B 1 94 ? 21.498 13.644 20.856 1.00 18.12 0 B 1 -ATOM 2368 O OD2 . ASP B 1 94 ? 21.404 12.224 22.509 1.00 23.08 0 B 1 -ATOM 2369 N N . GLY B 1 95 ? 18.336 16.778 23.333 1.00 7.99 0 B 1 -ATOM 2370 C CA . GLY B 1 95 ? 17.158 17.425 23.879 1.00 13.24 0 B 1 -ATOM 2371 C C . GLY B 1 95 ? 16.588 18.374 22.842 1.00 13.84 0 B 1 -ATOM 2372 O O . GLY B 1 95 ? 15.378 18.397 22.616 1.00 9.20 0 B 1 -ATOM 2373 N N . VAL B 1 96 ? 17.463 19.141 22.190 1.00 12.03 0 B 1 -ATOM 2374 C CA . VAL B 1 96 ? 17.038 20.080 21.154 1.00 13.90 0 B 1 -ATOM 2375 C C . VAL B 1 96 ? 16.352 19.311 20.018 1.00 13.45 0 B 1 -ATOM 2376 O O . VAL B 1 96 ? 15.270 19.694 19.564 1.00 19.59 0 B 1 -ATOM 2377 C CB . VAL B 1 96 ? 18.241 20.868 20.583 1.00 17.15 0 B 1 -ATOM 2378 C CG1 . VAL B 1 96 ? 17.815 21.698 19.370 1.00 15.07 0 B 1 -ATOM 2379 C CG2 . VAL B 1 96 ? 18.839 21.762 21.660 1.00 14.81 0 B 1 -ATOM 2380 N N . GLU B 1 97 ? 16.970 18.204 19.602 1.00 14.37 0 B 1 -ATOM 2381 C CA . GLU B 1 97 ? 16.447 17.363 18.527 1.00 16.17 0 B 1 -ATOM 2382 C C . GLU B 1 97 ? 15.045 16.827 18.829 1.00 12.68 0 B 1 -ATOM 2383 O O . GLU B 1 97 ? 14.189 16.795 17.943 1.00 19.00 0 B 1 -ATOM 2384 C CB . GLU B 1 97 ? 17.425 16.217 18.231 1.00 11.80 0 B 1 -ATOM 2385 C CG . GLU B 1 97 ? 16.930 15.182 17.217 1.00 13.83 0 B 1 -ATOM 2386 C CD . GLU B 1 97 ? 16.542 15.782 15.868 1.00 17.77 0 B 1 -ATOM 2387 O OE1 . GLU B 1 97 ? 17.213 16.728 15.403 1.00 15.40 0 B 1 -ATOM 2388 O OE2 . GLU B 1 97 ? 15.558 15.300 15.270 1.00 15.58 0 B 1 -ATOM 2389 N N . ASP B 1 98 ? 14.811 16.422 20.078 1.00 12.38 0 B 1 -ATOM 2390 C CA . ASP B 1 98 ? 13.501 15.916 20.485 1.00 13.84 0 B 1 -ATOM 2391 C C . ASP B 1 98 ? 12.428 16.985 20.324 1.00 13.89 0 B 1 -ATOM 2392 O O . ASP B 1 98 ? 11.354 16.722 19.773 1.00 10.86 0 B 1 -ATOM 2393 C CB . ASP B 1 98 ? 13.523 15.428 21.941 1.00 16.79 0 B 1 -ATOM 2394 C CG . ASP B 1 98 ? 14.125 14.036 22.094 1.00 15.21 0 B 1 -ATOM 2395 O OD1 . ASP B 1 98 ? 14.294 13.323 21.080 1.00 16.02 0 B 1 -ATOM 2396 O OD2 . ASP B 1 98 ? 14.436 13.658 23.242 1.00 23.06 0 B 1 -ATOM 2397 N N . LEU B 1 99 ? 12.712 18.192 20.808 1.00 14.52 0 B 1 -ATOM 2398 C CA . LEU B 1 99 ? 11.748 19.283 20.691 1.00 15.45 0 B 1 -ATOM 2399 C C . LEU B 1 99 ? 11.590 19.711 19.229 1.00 13.07 0 B 1 -ATOM 2400 O O . LEU B 1 99 ? 10.497 20.071 18.801 1.00 12.12 0 B 1 -ATOM 2401 C CB . LEU B 1 99 ? 12.147 20.466 21.576 1.00 13.16 0 B 1 -ATOM 2402 C CG . LEU B 1 99 ? 11.181 21.659 21.589 1.00 18.42 0 B 1 -ATOM 2403 C CD1 . LEU B 1 99 ? 9.746 21.199 21.787 1.00 15.59 0 B 1 -ATOM 2404 C CD2 . LEU B 1 99 ? 11.587 22.628 22.685 1.00 14.72 0 B 1 -ATOM 2405 N N . ARG B 1 100 ? 12.669 19.625 18.457 1.00 11.33 0 B 1 -ATOM 2406 C CA . ARG B 1 100 ? 12.616 19.991 17.044 1.00 14.66 0 B 1 -ATOM 2407 C C . ARG B 1 100 ? 11.662 19.064 16.289 1.00 14.20 0 B 1 -ATOM 2408 O O . ARG B 1 100 ? 10.905 19.522 15.438 1.00 18.91 0 B 1 -ATOM 2409 C CB . ARG B 1 100 ? 14.010 19.963 16.409 1.00 12.71 0 B 1 -ATOM 2410 C CG . ARG B 1 100 ? 14.030 20.509 14.987 1.00 7.31 0 B 1 -ATOM 2411 C CD . ARG B 1 100 ? 15.426 20.507 14.384 1.00 6.50 0 B 1 -ATOM 2412 N NE . ARG B 1 100 ? 16.329 21.450 15.044 1.00 11.92 0 B 1 -ATOM 2413 C CZ . ARG B 1 100 ? 16.341 22.765 14.831 1.00 13.14 0 B 1 -ATOM 2414 N NH1 . ARG B 1 100 ? 15.489 23.318 13.972 1.00 15.16 0 B 1 -ATOM 2415 N NH2 . ARG B 1 100 ? 17.218 23.530 15.469 1.00 11.67 0 B 1 -ATOM 2416 N N . CYS B 1 101 ? 11.678 17.770 16.622 1.00 7.87 0 B 1 -ATOM 2417 C CA . CYS B 1 101 ? 10.790 16.800 15.979 1.00 13.00 0 B 1 -ATOM 2418 C C . CYS B 1 101 ? 9.335 17.124 16.262 1.00 13.01 0 B 1 -ATOM 2419 O O . CYS B 1 101 ? 8.483 16.982 15.386 1.00 14.91 0 B 1 -ATOM 2420 C CB . CYS B 1 101 ? 11.092 15.375 16.441 1.00 14.48 0 B 1 -ATOM 2421 S SG . CYS B 1 101 ? 12.566 14.679 15.689 1.00 22.37 0 B 1 -ATOM 2422 N N . LYS B 1 102 ? 9.052 17.550 17.489 1.00 11.28 0 B 1 -ATOM 2423 C CA . LYS B 1 102 ? 7.690 17.910 17.868 1.00 10.20 0 B 1 -ATOM 2424 C C . LYS B 1 102 ? 7.270 19.145 17.081 1.00 12.22 0 B 1 -ATOM 2425 O O . LYS B 1 102 ? 6.141 19.227 16.605 1.00 20.46 0 B 1 -ATOM 2426 C CB . LYS B 1 102 ? 7.607 18.191 19.366 1.00 15.62 0 B 1 -ATOM 2427 C CG . LYS B 1 102 ? 7.880 16.969 20.214 1.00 22.65 0 B 1 -ATOM 2428 C CD . LYS B 1 102 ? 7.819 17.294 21.684 1.00 26.22 0 B 1 -ATOM 2429 C CE . LYS B 1 102 ? 8.025 16.044 22.512 1.00 31.09 0 B 1 -ATOM 2430 N NZ . LYS B 1 102 ? 8.034 16.358 23.964 1.00 37.97 0 B 1 -ATOM 2431 N N . TYR B 1 103 ? 8.198 20.090 16.935 1.00 16.57 0 B 1 -ATOM 2432 C CA . TYR B 1 103 ? 7.954 21.321 16.190 1.00 14.18 0 B 1 -ATOM 2433 C C . TYR B 1 103 ? 7.651 20.977 14.733 1.00 17.86 0 B 1 -ATOM 2434 O O . TYR B 1 103 ? 6.667 21.450 14.167 1.00 23.77 0 B 1 -ATOM 2435 C CB . TYR B 1 103 ? 9.184 22.241 16.271 1.00 19.00 0 B 1 -ATOM 2436 C CG . TYR B 1 103 ? 9.153 23.430 15.325 1.00 22.64 0 B 1 -ATOM 2437 C CD1 . TYR B 1 103 ? 8.483 24.602 15.671 1.00 16.72 0 B 1 -ATOM 2438 C CD2 . TYR B 1 103 ? 9.793 23.384 14.084 1.00 15.31 0 B 1 -ATOM 2439 C CE1 . TYR B 1 103 ? 8.447 25.700 14.812 1.00 16.96 0 B 1 -ATOM 2440 C CE2 . TYR B 1 103 ? 9.761 24.482 13.213 1.00 16.72 0 B 1 -ATOM 2441 C CZ . TYR B 1 103 ? 9.086 25.636 13.587 1.00 15.87 0 B 1 -ATOM 2442 O OH . TYR B 1 103 ? 9.052 26.724 12.741 1.00 16.12 0 B 1 -ATOM 2443 N N . ILE B 1 104 ? 8.495 20.132 14.145 1.00 16.36 0 B 1 -ATOM 2444 C CA . ILE B 1 104 ? 8.338 19.704 12.761 1.00 11.43 0 B 1 -ATOM 2445 C C . ILE B 1 104 ? 7.009 18.978 12.564 1.00 16.27 0 B 1 -ATOM 2446 O O . ILE B 1 104 ? 6.310 19.200 11.577 1.00 21.02 0 B 1 -ATOM 2447 C CB . ILE B 1 104 ? 9.524 18.809 12.332 1.00 15.23 0 B 1 -ATOM 2448 C CG1 . ILE B 1 104 ? 10.794 19.659 12.248 1.00 13.26 0 B 1 -ATOM 2449 C CG2 . ILE B 1 104 ? 9.239 18.129 10.989 1.00 16.32 0 B 1 -ATOM 2450 C CD1 . ILE B 1 104 ? 12.059 18.852 12.096 1.00 5.97 0 B 1 -ATOM 2451 N N . SER B 1 105 ? 6.647 18.138 13.528 1.00 19.94 0 B 1 -ATOM 2452 C CA . SER B 1 105 ? 5.395 17.401 13.455 1.00 22.11 0 B 1 -ATOM 2453 C C . SER B 1 105 ? 4.225 18.376 13.427 1.00 20.95 0 B 1 -ATOM 2454 O O . SER B 1 105 ? 3.277 18.187 12.676 1.00 12.98 0 B 1 -ATOM 2455 C CB . SER B 1 105 ? 5.260 16.454 14.646 1.00 22.80 0 B 1 -ATOM 2456 O OG . SER B 1 105 ? 4.076 15.684 14.542 1.00 28.87 0 B 1 -ATOM 2457 N N . LEU B 1 106 ? 4.302 19.428 14.238 1.00 19.90 0 B 1 -ATOM 2458 C CA . LEU B 1 106 ? 3.243 20.435 14.283 1.00 21.12 0 B 1 -ATOM 2459 C C . LEU B 1 106 ? 3.116 21.168 12.946 1.00 19.03 0 B 1 -ATOM 2460 O O . LEU B 1 106 ? 2.035 21.234 12.363 1.00 22.25 0 B 1 -ATOM 2461 C CB . LEU B 1 106 ? 3.521 21.456 15.390 1.00 20.42 0 B 1 -ATOM 2462 C CG . LEU B 1 106 ? 2.609 22.690 15.396 1.00 21.59 0 B 1 -ATOM 2463 C CD1 . LEU B 1 106 ? 1.190 22.296 15.764 1.00 15.85 0 B 1 -ATOM 2464 C CD2 . LEU B 1 106 ? 3.136 23.722 16.366 1.00 18.89 0 B 1 -ATOM 2465 N N . ILE B 1 107 ? 4.238 21.706 12.475 1.00 19.23 0 B 1 -ATOM 2466 C CA . ILE B 1 107 ? 4.301 22.455 11.222 1.00 19.98 0 B 1 -ATOM 2467 C C . ILE B 1 107 ? 3.781 21.697 9.996 1.00 18.68 0 B 1 -ATOM 2468 O O . ILE B 1 107 ? 2.953 22.214 9.241 1.00 21.89 0 B 1 -ATOM 2469 C CB . ILE B 1 107 ? 5.750 22.927 10.947 1.00 22.31 0 B 1 -ATOM 2470 C CG1 . ILE B 1 107 ? 6.208 23.887 12.046 1.00 16.47 0 B 1 -ATOM 2471 C CG2 . ILE B 1 107 ? 5.851 23.592 9.585 1.00 22.52 0 B 1 -ATOM 2472 C CD1 . ILE B 1 107 ? 5.366 25.145 12.168 1.00 13.73 0 B 1 -ATOM 2473 N N . TYR B 1 108 ? 4.242 20.464 9.824 1.00 17.22 0 B 1 -ATOM 2474 C CA . TYR B 1 108 ? 3.856 19.651 8.679 1.00 20.06 0 B 1 -ATOM 2475 C C . TYR B 1 108 ? 2.638 18.741 8.828 1.00 21.94 0 B 1 -ATOM 2476 O O . TYR B 1 108 ? 2.021 18.380 7.832 1.00 28.10 0 B 1 -ATOM 2477 C CB . TYR B 1 108 ? 5.061 18.830 8.210 1.00 20.75 0 B 1 -ATOM 2478 C CG . TYR B 1 108 ? 6.208 19.676 7.688 1.00 20.47 0 B 1 -ATOM 2479 C CD1 . TYR B 1 108 ? 6.221 20.125 6.366 1.00 19.86 0 B 1 -ATOM 2480 C CD2 . TYR B 1 108 ? 7.282 20.026 8.508 1.00 22.86 0 B 1 -ATOM 2481 C CE1 . TYR B 1 108 ? 7.282 20.904 5.867 1.00 14.96 0 B 1 -ATOM 2482 C CE2 . TYR B 1 108 ? 8.347 20.806 8.020 1.00 24.86 0 B 1 -ATOM 2483 C CZ . TYR B 1 108 ? 8.341 21.240 6.698 1.00 22.75 0 B 1 -ATOM 2484 O OH . TYR B 1 108 ? 9.388 22.002 6.214 1.00 26.87 0 B 1 -ATOM 2485 N N . THR B 1 109 ? 2.273 18.393 10.056 1.00 27.30 0 B 1 -ATOM 2486 C CA . THR B 1 109 ? 1.141 17.493 10.283 1.00 30.81 0 B 1 -ATOM 2487 C C . THR B 1 109 ? -0.188 18.145 10.656 1.00 30.77 0 B 1 -ATOM 2488 O O . THR B 1 109 ? -1.214 17.829 10.052 1.00 30.62 0 B 1 -ATOM 2489 C CB . THR B 1 109 ? 1.513 16.391 11.303 1.00 29.42 0 B 1 -ATOM 2490 C CG2 . THR B 1 109 ? 0.307 15.529 11.661 1.00 36.15 0 B 1 -ATOM 2491 O OG1 . THR B 1 109 ? 2.545 15.570 10.741 1.00 35.24 0 B 1 -ATOM 2492 N N . ASN B 1 110 ? -0.187 19.046 11.634 1.00 28.95 0 B 1 -ATOM 2493 C CA . ASN B 1 110 ? -1.432 19.699 12.038 1.00 33.26 0 B 1 -ATOM 2494 C C . ASN B 1 110 ? -1.225 21.057 12.703 1.00 32.66 0 B 1 -ATOM 2495 O O . ASN B 1 110 ? -1.492 21.239 13.894 1.00 30.82 0 B 1 -ATOM 2496 C CB . ASN B 1 110 ? -2.274 18.769 12.929 1.00 38.70 0 B 1 -ATOM 2497 C CG . ASN B 1 110 ? -1.624 18.477 14.272 1.00 40.80 0 B 1 -ATOM 2498 N ND2 . ASN B 1 110 ? -0.291 18.437 14.304 1.00 41.82 0 B 1 -ATOM 2499 O OD1 . ASN B 1 110 ? -2.316 18.297 15.273 1.00 39.91 0 B 1 -ATOM 2500 N N . TYR B 1 111 ? -0.765 22.016 11.905 1.00 32.60 0 B 1 -ATOM 2501 C CA . TYR B 1 111 ? -0.513 23.365 12.382 1.00 31.75 0 B 1 -ATOM 2502 C C . TYR B 1 111 ? -1.771 24.047 12.921 1.00 31.60 0 B 1 -ATOM 2503 O O . TYR B 1 111 ? -1.804 24.479 14.073 1.00 33.61 0 B 1 -ATOM 2504 C CB . TYR B 1 111 ? 0.096 24.206 11.261 1.00 24.96 0 B 1 -ATOM 2505 C CG . TYR B 1 111 ? 0.426 25.621 11.673 1.00 27.87 0 B 1 -ATOM 2506 C CD1 . TYR B 1 111 ? 1.664 25.932 12.233 1.00 29.51 0 B 1 -ATOM 2507 C CD2 . TYR B 1 111 ? -0.505 26.647 11.520 1.00 25.98 0 B 1 -ATOM 2508 C CE1 . TYR B 1 111 ? 1.966 27.231 12.632 1.00 30.27 0 B 1 -ATOM 2509 C CE2 . TYR B 1 111 ? -0.215 27.947 11.918 1.00 23.37 0 B 1 -ATOM 2510 C CZ . TYR B 1 111 ? 1.021 28.232 12.473 1.00 30.66 0 B 1 -ATOM 2511 O OH . TYR B 1 111 ? 1.304 29.514 12.883 1.00 31.25 0 B 1 -ATOM 2512 N N . GLU B 1 112 ? -2.799 24.128 12.081 1.00 37.95 0 B 1 -ATOM 2513 C CA . GLU B 1 112 ? -4.061 24.774 12.438 1.00 40.32 0 B 1 -ATOM 2514 C C . GLU B 1 112 ? -4.682 24.216 13.704 1.00 39.96 0 B 1 -ATOM 2515 O O . GLU B 1 112 ? -4.957 24.955 14.646 1.00 37.48 0 B 1 -ATOM 2516 C CB . GLU B 1 112 ? -5.072 24.656 11.293 1.00 45.58 0 B 1 -ATOM 2517 C CG . GLU B 1 112 ? -4.747 25.487 10.056 1.00 57.87 0 B 1 -ATOM 2518 C CD . GLU B 1 112 ? -3.492 25.022 9.329 1.00 66.43 0 B 1 -ATOM 2519 O OE1 . GLU B 1 112 ? -3.303 23.796 9.158 1.00 69.25 0 B 1 -ATOM 2520 O OE2 . GLU B 1 112 ? -2.683 25.888 8.932 1.00 70.22 0 B 1 -ATOM 2521 N N . ALA B 1 113 ? -4.875 22.902 13.721 1.00 39.61 0 B 1 -ATOM 2522 C CA . ALA B 1 113 ? -5.482 22.224 14.855 1.00 39.70 0 B 1 -ATOM 2523 C C . ALA B 1 113 ? -4.635 22.194 16.128 1.00 39.13 0 B 1 -ATOM 2524 O O . ALA B 1 113 ? -5.099 22.605 17.190 1.00 37.61 0 B 1 -ATOM 2525 C CB . ALA B 1 113 ? -5.876 20.808 14.455 1.00 35.64 0 B 1 -ATOM 2526 N N . GLY B 1 114 ? -3.386 21.751 16.011 1.00 34.25 0 B 1 -ATOM 2527 C CA . GLY B 1 114 ? -2.527 21.636 17.180 1.00 32.91 0 B 1 -ATOM 2528 C C . GLY B 1 114 ? -1.730 22.819 17.700 1.00 34.64 0 B 1 -ATOM 2529 O O . GLY B 1 114 ? -1.086 22.692 18.743 1.00 39.67 0 B 1 -ATOM 2530 N N . LYS B 1 115 ? -1.782 23.963 17.023 1.00 29.92 0 B 1 -ATOM 2531 C CA . LYS B 1 115 ? -1.015 25.137 17.447 1.00 27.73 0 B 1 -ATOM 2532 C C . LYS B 1 115 ? -1.252 25.599 18.888 1.00 30.01 0 B 1 -ATOM 2533 O O . LYS B 1 115 ? -0.306 25.962 19.589 1.00 29.24 0 B 1 -ATOM 2534 C CB . LYS B 1 115 ? -1.237 26.306 16.482 1.00 28.93 0 B 1 -ATOM 2535 C CG . LYS B 1 115 ? -0.333 27.505 16.738 1.00 25.87 0 B 1 -ATOM 2536 C CD . LYS B 1 115 ? -0.692 28.675 15.835 1.00 24.67 0 B 1 -ATOM 2537 C CE . LYS B 1 115 ? 0.090 29.931 16.202 1.00 27.13 0 B 1 -ATOM 2538 N NZ . LYS B 1 115 ? 1.560 29.765 16.014 1.00 34.77 0 B 1 -ATOM 2539 N N . ASP B 1 116 ? -2.505 25.568 19.335 1.00 33.95 0 B 1 -ATOM 2540 C CA . ASP B 1 116 ? -2.839 26.006 20.690 1.00 35.51 0 B 1 -ATOM 2541 C C . ASP B 1 116 ? -2.306 25.108 21.802 1.00 29.03 0 B 1 -ATOM 2542 O O . ASP B 1 116 ? -1.699 25.596 22.757 1.00 28.61 0 B 1 -ATOM 2543 C CB . ASP B 1 116 ? -4.348 26.207 20.830 1.00 44.25 0 B 1 -ATOM 2544 C CG . ASP B 1 116 ? -4.876 27.310 19.919 1.00 51.75 0 B 1 -ATOM 2545 O OD1 . ASP B 1 116 ? -4.157 28.310 19.689 1.00 58.31 0 B 1 -ATOM 2546 O OD2 . ASP B 1 116 ? -6.009 27.171 19.413 1.00 58.15 0 B 1 -ATOM 2547 N N . ASP B 1 117 ? -2.517 23.801 21.672 1.00 28.73 0 B 1 -ATOM 2548 C CA . ASP B 1 117 ? -2.039 22.850 22.672 1.00 28.70 0 B 1 -ATOM 2549 C C . ASP B 1 117 ? -0.516 22.871 22.767 1.00 21.76 0 B 1 -ATOM 2550 O O . ASP B 1 117 ? 0.047 22.817 23.864 1.00 20.81 0 B 1 -ATOM 2551 C CB . ASP B 1 117 ? -2.518 21.435 22.340 1.00 29.74 0 B 1 -ATOM 2552 C CG . ASP B 1 117 ? -4.015 21.254 22.543 1.00 35.26 0 B 1 -ATOM 2553 O OD1 . ASP B 1 117 ? -4.667 22.136 23.149 1.00 35.44 0 B 1 -ATOM 2554 O OD2 . ASP B 1 117 ? -4.538 20.205 22.115 1.00 41.24 0 B 1 -ATOM 2555 N N . TYR B 1 118 ? 0.137 22.965 21.609 1.00 23.96 0 B 1 -ATOM 2556 C CA . TYR B 1 118 ? 1.595 23.001 21.529 1.00 19.97 0 B 1 -ATOM 2557 C C . TYR B 1 118 ? 2.170 24.200 22.286 1.00 17.13 0 B 1 -ATOM 2558 O O . TYR B 1 118 ? 3.147 24.064 23.025 1.00 17.96 0 B 1 -ATOM 2559 C CB . TYR B 1 118 ? 2.042 23.040 20.060 1.00 18.94 0 B 1 -ATOM 2560 C CG . TYR B 1 118 ? 3.539 22.929 19.861 1.00 22.33 0 B 1 -ATOM 2561 C CD1 . TYR B 1 118 ? 4.360 24.052 19.956 1.00 18.69 0 B 1 -ATOM 2562 C CD2 . TYR B 1 118 ? 4.137 21.701 19.584 1.00 13.45 0 B 1 -ATOM 2563 C CE1 . TYR B 1 118 ? 5.732 23.955 19.784 1.00 20.36 0 B 1 -ATOM 2564 C CE2 . TYR B 1 118 ? 5.512 21.594 19.408 1.00 16.72 0 B 1 -ATOM 2565 C CZ . TYR B 1 118 ? 6.301 22.725 19.511 1.00 19.14 0 B 1 -ATOM 2566 O OH . TYR B 1 118 ? 7.658 22.634 19.341 1.00 11.54 0 B 1 -ATOM 2567 N N . VAL B 1 119 ? 1.577 25.374 22.085 1.00 23.85 0 B 1 -ATOM 2568 C CA . VAL B 1 119 ? 2.038 26.587 22.758 1.00 25.99 0 B 1 -ATOM 2569 C C . VAL B 1 119 ? 1.817 26.511 24.277 1.00 28.40 0 B 1 -ATOM 2570 O O . VAL B 1 119 ? 2.627 27.029 25.046 1.00 25.88 0 B 1 -ATOM 2571 C CB . VAL B 1 119 ? 1.365 27.853 22.165 1.00 28.98 0 B 1 -ATOM 2572 C CG1 . VAL B 1 119 ? 1.844 29.106 22.885 1.00 29.15 0 B 1 -ATOM 2573 C CG2 . VAL B 1 119 ? 1.691 27.963 20.684 1.00 17.09 0 B 1 -ATOM 2574 N N . LYS B 1 120 ? 0.740 25.844 24.700 1.00 30.15 0 B 1 -ATOM 2575 C CA . LYS B 1 120 ? 0.435 25.679 26.125 1.00 34.33 0 B 1 -ATOM 2576 C C . LYS B 1 120 ? 1.476 24.785 26.796 1.00 30.92 0 B 1 -ATOM 2577 O O . LYS B 1 120 ? 1.872 25.029 27.934 1.00 29.87 0 B 1 -ATOM 2578 C CB . LYS B 1 120 ? -0.946 25.048 26.318 1.00 39.46 0 B 1 -ATOM 2579 C CG . LYS B 1 120 ? -2.102 25.896 25.826 1.00 53.02 0 B 1 -ATOM 2580 C CD . LYS B 1 120 ? -3.379 25.074 25.754 1.00 60.62 0 B 1 -ATOM 2581 C CE . LYS B 1 120 ? -4.491 25.833 25.036 1.00 64.46 0 B 1 -ATOM 2582 N NZ . LYS B 1 120 ? -5.667 24.959 24.755 1.00 70.16 0 B 1 -ATOM 2583 N N . ALA B 1 121 ? 1.914 23.754 26.077 1.00 22.35 0 B 1 -ATOM 2584 C CA . ALA B 1 121 ? 2.905 22.807 26.586 1.00 24.36 0 B 1 -ATOM 2585 C C . ALA B 1 121 ? 4.346 23.304 26.472 1.00 20.41 0 B 1 -ATOM 2586 O O . ALA B 1 121 ? 5.249 22.747 27.094 1.00 24.85 0 B 1 -ATOM 2587 C CB . ALA B 1 121 ? 2.759 21.470 25.869 1.00 20.94 0 B 1 -ATOM 2588 N N . LEU B 1 122 ? 4.552 24.358 25.687 1.00 15.49 0 B 1 -ATOM 2589 C CA . LEU B 1 122 ? 5.882 24.921 25.479 1.00 19.00 0 B 1 -ATOM 2590 C C . LEU B 1 122 ? 6.729 25.192 26.726 1.00 18.30 0 B 1 -ATOM 2591 O O . LEU B 1 122 ? 7.901 24.812 26.762 1.00 23.78 0 B 1 -ATOM 2592 C CB . LEU B 1 122 ? 5.803 26.194 24.635 1.00 14.40 0 B 1 -ATOM 2593 C CG . LEU B 1 122 ? 6.473 26.159 23.264 1.00 17.81 0 B 1 -ATOM 2594 C CD1 . LEU B 1 122 ? 6.605 27.586 22.754 1.00 16.25 0 B 1 -ATOM 2595 C CD2 . LEU B 1 122 ? 7.844 25.500 23.355 1.00 13.02 0 B 1 -ATOM 2596 N N . PRO B 1 123 ? 6.167 25.863 27.752 1.00 18.24 0 B 1 -ATOM 2597 C CA . PRO B 1 123 ? 6.929 26.156 28.972 1.00 19.61 0 B 1 -ATOM 2598 C C . PRO B 1 123 ? 7.599 24.929 29.583 1.00 18.22 0 B 1 -ATOM 2599 O O . PRO B 1 123 ? 8.756 24.985 29.994 1.00 13.70 0 B 1 -ATOM 2600 C CB . PRO B 1 123 ? 5.867 26.739 29.902 1.00 21.71 0 B 1 -ATOM 2601 C CG . PRO B 1 123 ? 4.959 27.445 28.956 1.00 12.17 0 B 1 -ATOM 2602 C CD . PRO B 1 123 ? 4.808 26.436 27.845 1.00 17.58 0 B 1 -ATOM 2603 N N . GLY B 1 124 ? 6.875 23.815 29.603 1.00 20.98 0 B 1 -ATOM 2604 C CA . GLY B 1 124 ? 7.418 22.587 30.155 1.00 20.86 0 B 1 -ATOM 2605 C C . GLY B 1 124 ? 8.564 22.068 29.314 1.00 16.94 0 B 1 -ATOM 2606 O O . GLY B 1 124 ? 9.505 21.477 29.841 1.00 22.74 0 B 1 -ATOM 2607 N N . GLN B 1 125 ? 8.479 22.294 28.004 1.00 15.11 0 B 1 -ATOM 2608 C CA . GLN B 1 125 ? 9.508 21.868 27.057 1.00 15.19 0 B 1 -ATOM 2609 C C . GLN B 1 125 ? 10.764 22.730 27.133 1.00 13.14 0 B 1 -ATOM 2610 O O . GLN B 1 125 ? 11.866 22.246 26.898 1.00 19.56 0 B 1 -ATOM 2611 C CB . GLN B 1 125 ? 8.965 21.915 25.630 1.00 16.11 0 B 1 -ATOM 2612 C CG . GLN B 1 125 ? 7.808 20.974 25.369 1.00 20.92 0 B 1 -ATOM 2613 C CD . GLN B 1 125 ? 8.168 19.542 25.677 1.00 25.52 0 B 1 -ATOM 2614 N NE2 . GLN B 1 125 ? 7.359 18.890 26.494 1.00 26.48 0 B 1 -ATOM 2615 O OE1 . GLN B 1 125 ? 9.177 19.035 25.196 1.00 26.29 0 B 1 -ATOM 2616 N N . LEU B 1 126 ? 10.593 24.010 27.454 1.00 14.89 0 B 1 -ATOM 2617 C CA . LEU B 1 126 ? 11.720 24.936 27.544 1.00 15.96 0 B 1 -ATOM 2618 C C . LEU B 1 126 ? 12.449 24.947 28.888 1.00 17.08 0 B 1 -ATOM 2619 O O . LEU B 1 126 ? 13.640 25.263 28.939 1.00 20.75 0 B 1 -ATOM 2620 C CB . LEU B 1 126 ? 11.266 26.354 27.186 1.00 16.96 0 B 1 -ATOM 2621 C CG . LEU B 1 126 ? 10.754 26.529 25.755 1.00 17.57 0 B 1 -ATOM 2622 C CD1 . LEU B 1 126 ? 10.208 27.935 25.556 1.00 15.98 0 B 1 -ATOM 2623 C CD2 . LEU B 1 126 ? 11.876 26.229 24.770 1.00 20.24 0 B 1 -ATOM 2624 N N . LYS B 1 127 ? 11.745 24.601 29.968 1.00 21.06 0 B 1 -ATOM 2625 C CA . LYS B 1 127 ? 12.349 24.580 31.305 1.00 23.43 0 B 1 -ATOM 2626 C C . LYS B 1 127 ? 13.688 23.855 31.419 1.00 22.54 0 B 1 -ATOM 2627 O O . LYS B 1 127 ? 14.613 24.371 32.047 1.00 22.29 0 B 1 -ATOM 2628 C CB . LYS B 1 127 ? 11.369 24.041 32.351 1.00 28.89 0 B 1 -ATOM 2629 C CG . LYS B 1 127 ? 10.523 25.123 32.980 1.00 37.23 0 B 1 -ATOM 2630 C CD . LYS B 1 127 ? 9.385 24.558 33.803 1.00 42.49 0 B 1 -ATOM 2631 C CE . LYS B 1 127 ? 8.489 25.682 34.305 1.00 47.02 0 B 1 -ATOM 2632 N NZ . LYS B 1 127 ? 7.241 25.172 34.936 1.00 50.63 0 B 1 -ATOM 2633 N N . PRO B 1 128 ? 13.818 22.654 30.814 1.00 19.21 0 B 1 -ATOM 2634 C CA . PRO B 1 128 ? 15.087 21.923 30.896 1.00 17.04 0 B 1 -ATOM 2635 C C . PRO B 1 128 ? 16.317 22.741 30.488 1.00 16.86 0 B 1 -ATOM 2636 O O . PRO B 1 128 ? 17.377 22.628 31.112 1.00 17.37 0 B 1 -ATOM 2637 C CB . PRO B 1 128 ? 14.857 20.750 29.950 1.00 17.39 0 B 1 -ATOM 2638 C CG . PRO B 1 128 ? 13.409 20.457 30.156 1.00 19.10 0 B 1 -ATOM 2639 C CD . PRO B 1 128 ? 12.796 21.837 30.130 1.00 12.84 0 B 1 -ATOM 2640 N N . PHE B 1 129 ? 16.171 23.580 29.462 1.00 15.22 0 B 1 -ATOM 2641 C CA . PHE B 1 129 ? 17.288 24.398 28.983 1.00 17.42 0 B 1 -ATOM 2642 C C . PHE B 1 129 ? 17.600 25.577 29.910 1.00 17.17 0 B 1 -ATOM 2643 O O . PHE B 1 129 ? 18.758 25.980 30.047 1.00 14.35 0 B 1 -ATOM 2644 C CB . PHE B 1 129 ? 17.031 24.845 27.543 1.00 11.90 0 B 1 -ATOM 2645 C CG . PHE B 1 129 ? 16.763 23.697 26.602 1.00 16.61 0 B 1 -ATOM 2646 C CD1 . PHE B 1 129 ? 17.783 22.815 26.249 1.00 17.88 0 B 1 -ATOM 2647 C CD2 . PHE B 1 129 ? 15.482 23.466 26.109 1.00 17.70 0 B 1 -ATOM 2648 C CE1 . PHE B 1 129 ? 17.528 21.716 25.420 1.00 17.94 0 B 1 -ATOM 2649 C CE2 . PHE B 1 129 ? 15.218 22.371 25.280 1.00 19.09 0 B 1 -ATOM 2650 C CZ . PHE B 1 129 ? 16.242 21.497 24.938 1.00 8.60 0 B 1 -ATOM 2651 N N . GLU B 1 130 ? 16.561 26.112 30.552 1.00 17.70 0 B 1 -ATOM 2652 C CA . GLU B 1 130 ? 16.712 27.204 31.513 1.00 18.86 0 B 1 -ATOM 2653 C C . GLU B 1 130 ? 17.490 26.636 32.711 1.00 18.28 0 B 1 -ATOM 2654 O O . GLU B 1 130 ? 18.383 27.287 33.260 1.00 19.21 0 B 1 -ATOM 2655 C CB . GLU B 1 130 ? 15.330 27.693 31.965 1.00 18.24 0 B 1 -ATOM 2656 C CG . GLU B 1 130 ? 15.334 28.820 33.008 1.00 19.04 0 B 1 -ATOM 2657 C CD . GLU B 1 130 ? 15.671 30.204 32.442 1.00 20.57 0 B 1 -ATOM 2658 O OE1 . GLU B 1 130 ? 15.761 30.370 31.208 1.00 22.44 0 B 1 -ATOM 2659 O OE2 . GLU B 1 130 ? 15.837 31.147 33.245 1.00 15.29 0 B 1 -ATOM 2660 N N . THR B 1 131 ? 17.167 25.392 33.066 1.00 20.89 0 B 1 -ATOM 2661 C CA . THR B 1 131 ? 17.807 24.682 34.169 1.00 17.30 0 B 1 -ATOM 2662 C C . THR B 1 131 ? 19.283 24.438 33.876 1.00 17.68 0 B 1 -ATOM 2663 O O . THR B 1 131 ? 20.140 24.674 34.730 1.00 22.51 0 B 1 -ATOM 2664 C CB . THR B 1 131 ? 17.126 23.323 34.411 1.00 20.96 0 B 1 -ATOM 2665 C CG2 . THR B 1 131 ? 17.738 22.622 35.618 1.00 23.00 0 B 1 -ATOM 2666 O OG1 . THR B 1 131 ? 15.725 23.525 34.636 1.00 22.20 0 B 1 -ATOM 2667 N N . LEU B 1 132 ? 19.571 23.933 32.679 1.00 16.96 0 B 1 -ATOM 2668 C CA . LEU B 1 132 ? 20.947 23.664 32.268 1.00 20.31 0 B 1 -ATOM 2669 C C . LEU B 1 132 ? 21.768 24.944 32.373 1.00 20.33 0 B 1 -ATOM 2670 O O . LEU B 1 132 ? 22.879 24.943 32.904 1.00 20.23 0 B 1 -ATOM 2671 C CB . LEU B 1 132 ? 20.975 23.139 30.830 1.00 17.56 0 B 1 -ATOM 2672 C CG . LEU B 1 132 ? 20.498 21.699 30.626 1.00 20.00 0 B 1 -ATOM 2673 C CD1 . LEU B 1 132 ? 20.190 21.434 29.163 1.00 16.07 0 B 1 -ATOM 2674 C CD2 . LEU B 1 132 ? 21.558 20.739 31.138 1.00 18.95 0 B 1 -ATOM 2675 N N . LEU B 1 133 ? 21.183 26.040 31.902 1.00 23.10 0 B 1 -ATOM 2676 C CA . LEU B 1 133 ? 21.818 27.349 31.926 1.00 21.20 0 B 1 -ATOM 2677 C C . LEU B 1 133 ? 22.087 27.796 33.364 1.00 19.95 0 B 1 -ATOM 2678 O O . LEU B 1 133 ? 23.195 28.224 33.686 1.00 24.25 0 B 1 -ATOM 2679 C CB . LEU B 1 133 ? 20.918 28.357 31.203 1.00 17.55 0 B 1 -ATOM 2680 C CG . LEU B 1 133 ? 21.485 29.226 30.073 1.00 20.13 0 B 1 -ATOM 2681 C CD1 . LEU B 1 133 ? 22.629 28.548 29.351 1.00 19.19 0 B 1 -ATOM 2682 C CD2 . LEU B 1 133 ? 20.365 29.566 29.107 1.00 12.12 0 B 1 -ATOM 2683 N N . SER B 1 134 ? 21.095 27.641 34.239 1.00 21.03 0 B 1 -ATOM 2684 C CA . SER B 1 134 ? 21.242 28.038 35.640 1.00 22.63 0 B 1 -ATOM 2685 C C . SER B 1 134 ? 22.329 27.268 36.393 1.00 23.34 0 B 1 -ATOM 2686 O O . SER B 1 134 ? 22.887 27.773 37.368 1.00 23.80 0 B 1 -ATOM 2687 C CB . SER B 1 134 ? 19.904 27.928 36.387 1.00 17.88 0 B 1 -ATOM 2688 O OG . SER B 1 134 ? 19.504 26.580 36.554 1.00 25.31 0 B 1 -ATOM 2689 N N . GLN B 1 135 ? 22.641 26.059 35.935 1.00 24.21 0 B 1 -ATOM 2690 C CA . GLN B 1 135 ? 23.675 25.245 36.573 1.00 24.74 0 B 1 -ATOM 2691 C C . GLN B 1 135 ? 25.072 25.482 36.007 1.00 23.07 0 B 1 -ATOM 2692 O O . GLN B 1 135 ? 26.046 24.908 36.492 1.00 25.24 0 B 1 -ATOM 2693 C CB . GLN B 1 135 ? 23.319 23.768 36.458 1.00 22.15 0 B 1 -ATOM 2694 C CG . GLN B 1 135 ? 22.042 23.406 37.169 1.00 28.93 0 B 1 -ATOM 2695 C CD . GLN B 1 135 ? 21.561 22.029 36.797 1.00 33.29 0 B 1 -ATOM 2696 N NE2 . GLN B 1 135 ? 20.480 21.596 37.421 1.00 30.68 0 B 1 -ATOM 2697 O OE1 . GLN B 1 135 ? 22.153 21.359 35.951 1.00 36.02 0 B 1 -ATOM 2698 N N . ASN B 1 136 ? 25.172 26.301 34.967 1.00 24.65 0 B 1 -ATOM 2699 C CA . ASN B 1 136 ? 26.457 26.599 34.355 1.00 23.45 0 B 1 -ATOM 2700 C C . ASN B 1 136 ? 26.792 28.081 34.523 1.00 24.28 0 B 1 -ATOM 2701 O O . ASN B 1 136 ? 26.325 28.919 33.754 1.00 22.10 0 B 1 -ATOM 2702 C CB . ASN B 1 136 ? 26.450 26.217 32.867 1.00 22.01 0 B 1 -ATOM 2703 C CG . ASN B 1 136 ? 27.793 26.461 32.195 1.00 19.62 0 B 1 -ATOM 2704 N ND2 . ASN B 1 136 ? 27.767 26.728 30.901 1.00 21.96 0 B 1 -ATOM 2705 O OD1 . ASN B 1 136 ? 28.839 26.364 32.835 1.00 27.05 0 B 1 -ATOM 2706 N N . GLN B 1 137 ? 27.587 28.395 35.550 1.00 32.94 0 B 1 -ATOM 2707 C CA . GLN B 1 137 ? 27.997 29.774 35.843 1.00 35.56 0 B 1 -ATOM 2708 C C . GLN B 1 137 ? 26.836 30.769 35.834 1.00 34.51 0 B 1 -ATOM 2709 O O . GLN B 1 137 ? 26.969 31.886 35.325 1.00 36.90 0 B 1 -ATOM 2710 C CB . GLN B 1 137 ? 29.068 30.230 34.854 1.00 41.22 0 B 1 -ATOM 2711 C CG . GLN B 1 137 ? 30.373 29.467 34.937 1.00 50.17 0 B 1 -ATOM 2712 C CD . GLN B 1 137 ? 31.245 29.696 33.716 1.00 58.75 0 B 1 -ATOM 2713 N NE2 . GLN B 1 137 ? 31.247 28.736 32.796 1.00 64.72 0 B 1 -ATOM 2714 O OE1 . GLN B 1 137 ? 31.892 30.742 33.593 1.00 63.00 0 B 1 -ATOM 2715 N N . GLY B 1 138 ? 25.692 30.340 36.365 1.00 30.72 0 B 1 -ATOM 2716 C CA . GLY B 1 138 ? 24.521 31.201 36.424 1.00 28.77 0 B 1 -ATOM 2717 C C . GLY B 1 138 ? 23.967 31.671 35.089 1.00 26.54 0 B 1 -ATOM 2718 O O . GLY B 1 138 ? 23.312 32.710 35.024 1.00 27.81 0 B 1 -ATOM 2719 N N . GLY B 1 139 ? 24.219 30.904 34.031 1.00 27.34 0 B 1 -ATOM 2720 C CA . GLY B 1 139 ? 23.731 31.260 32.708 1.00 31.49 0 B 1 -ATOM 2721 C C . GLY B 1 139 ? 24.418 32.467 32.093 1.00 31.30 0 B 1 -ATOM 2722 O O . GLY B 1 139 ? 23.871 33.095 31.189 1.00 34.21 0 B 1 -ATOM 2723 N N . LYS B 1 140 ? 25.626 32.768 32.560 1.00 30.40 0 B 1 -ATOM 2724 C CA . LYS B 1 140 ? 26.386 33.916 32.068 1.00 26.34 0 B 1 -ATOM 2725 C C . LYS B 1 140 ? 27.160 33.641 30.781 1.00 22.39 0 B 1 -ATOM 2726 O O . LYS B 1 140 ? 27.484 34.575 30.048 1.00 27.20 0 B 1 -ATOM 2727 C CB . LYS B 1 140 ? 27.346 34.427 33.154 1.00 34.80 0 B 1 -ATOM 2728 C CG . LYS B 1 140 ? 26.660 34.918 34.427 1.00 45.10 0 B 1 -ATOM 2729 C CD . LYS B 1 140 ? 25.961 36.260 34.233 1.00 55.71 0 B 1 -ATOM 2730 C CE . LYS B 1 140 ? 26.952 37.417 34.311 1.00 61.59 0 B 1 -ATOM 2731 N NZ . LYS B 1 140 ? 26.304 38.745 34.084 1.00 61.43 0 B 1 -ATOM 2732 N N . THR B 1 141 ? 27.446 32.369 30.503 1.00 21.81 0 B 1 -ATOM 2733 C CA . THR B 1 141 ? 28.197 31.993 29.304 1.00 18.45 0 B 1 -ATOM 2734 C C . THR B 1 141 ? 27.407 31.185 28.262 1.00 23.00 0 B 1 -ATOM 2735 O O . THR B 1 141 ? 26.446 31.689 27.684 1.00 22.68 0 B 1 -ATOM 2736 C CB . THR B 1 141 ? 29.500 31.247 29.665 1.00 16.61 0 B 1 -ATOM 2737 C CG2 . THR B 1 141 ? 30.499 32.190 30.318 1.00 11.71 0 B 1 -ATOM 2738 O OG1 . THR B 1 141 ? 29.203 30.165 30.556 1.00 20.20 0 B 1 -ATOM 2739 N N . PHE B 1 142 ? 27.812 29.937 28.030 1.00 19.96 0 B 1 -ATOM 2740 C CA . PHE B 1 142 ? 27.169 29.076 27.046 1.00 16.47 0 B 1 -ATOM 2741 C C . PHE B 1 142 ? 26.368 27.947 27.688 1.00 13.47 0 B 1 -ATOM 2742 O O . PHE B 1 142 ? 26.341 27.826 28.906 1.00 15.59 0 B 1 -ATOM 2743 C CB . PHE B 1 142 ? 28.228 28.548 26.083 1.00 12.29 0 B 1 -ATOM 2744 C CG . PHE B 1 142 ? 29.040 29.643 25.436 1.00 14.33 0 B 1 -ATOM 2745 C CD1 . PHE B 1 142 ? 28.533 30.359 24.353 1.00 14.29 0 B 1 -ATOM 2746 C CD2 . PHE B 1 142 ? 30.294 29.981 25.931 1.00 14.55 0 B 1 -ATOM 2747 C CE1 . PHE B 1 142 ? 29.261 31.395 23.778 1.00 15.53 0 B 1 -ATOM 2748 C CE2 . PHE B 1 142 ? 31.032 31.016 25.363 1.00 16.31 0 B 1 -ATOM 2749 C CZ . PHE B 1 142 ? 30.516 31.723 24.285 1.00 16.20 0 B 1 -ATOM 2750 N N . ILE B 1 143 ? 25.698 27.134 26.877 1.00 14.04 0 B 1 -ATOM 2751 C CA . ILE B 1 143 ? 24.872 26.056 27.414 1.00 13.69 0 B 1 -ATOM 2752 C C . ILE B 1 143 ? 25.676 24.999 28.182 1.00 14.12 0 B 1 -ATOM 2753 O O . ILE B 1 143 ? 25.188 24.439 29.164 1.00 14.14 0 B 1 -ATOM 2754 C CB . ILE B 1 143 ? 23.978 25.410 26.314 1.00 5.42 0 B 1 -ATOM 2755 C CG1 . ILE B 1 143 ? 22.872 24.569 26.957 1.00 6.97 0 B 1 -ATOM 2756 C CG2 . ILE B 1 143 ? 24.813 24.566 25.352 1.00 2.54 0 B 1 -ATOM 2757 C CD1 . ILE B 1 143 ? 21.853 25.373 27.737 1.00 10.57 0 B 1 -ATOM 2758 N N . VAL B 1 144 ? 26.912 24.763 27.751 1.00 13.71 0 B 1 -ATOM 2759 C CA . VAL B 1 144 ? 27.804 23.798 28.396 1.00 13.16 0 B 1 -ATOM 2760 C C . VAL B 1 144 ? 29.220 24.366 28.418 1.00 15.36 0 B 1 -ATOM 2761 O O . VAL B 1 144 ? 29.767 24.714 27.373 1.00 17.05 0 B 1 -ATOM 2762 C CB . VAL B 1 144 ? 27.842 22.443 27.643 1.00 12.66 0 B 1 -ATOM 2763 C CG1 . VAL B 1 144 ? 28.931 21.547 28.228 1.00 7.81 0 B 1 -ATOM 2764 C CG2 . VAL B 1 144 ? 26.496 21.745 27.729 1.00 10.81 0 B 1 -ATOM 2765 N N . GLY B 1 145 ? 29.805 24.463 29.609 1.00 11.07 0 B 1 -ATOM 2766 C CA . GLY B 1 145 ? 31.159 24.983 29.733 1.00 14.99 0 B 1 -ATOM 2767 C C . GLY B 1 145 ? 31.284 26.482 29.523 1.00 14.24 0 B 1 -ATOM 2768 O O . GLY B 1 145 ? 30.295 27.212 29.599 1.00 13.15 0 B 1 -ATOM 2769 N N . ASP B 1 146 ? 32.502 26.938 29.240 1.00 21.64 0 B 1 -ATOM 2770 C CA . ASP B 1 146 ? 32.760 28.361 29.029 1.00 29.49 0 B 1 -ATOM 2771 C C . ASP B 1 146 ? 33.186 28.702 27.600 1.00 27.00 0 B 1 -ATOM 2772 O O . ASP B 1 146 ? 33.714 29.780 27.342 1.00 28.71 0 B 1 -ATOM 2773 C CB . ASP B 1 146 ? 33.797 28.872 30.041 1.00 34.77 0 B 1 -ATOM 2774 C CG . ASP B 1 146 ? 35.150 28.181 29.909 1.00 41.89 0 B 1 -ATOM 2775 O OD1 . ASP B 1 146 ? 35.261 27.160 29.193 1.00 47.12 0 B 1 -ATOM 2776 O OD2 . ASP B 1 146 ? 36.118 28.670 30.528 1.00 49.55 0 B 1 -ATOM 2777 N N . GLN B 1 147 ? 32.957 27.769 26.682 1.00 25.29 0 B 1 -ATOM 2778 C CA . GLN B 1 147 ? 33.286 27.950 25.271 1.00 27.54 0 B 1 -ATOM 2779 C C . GLN B 1 147 ? 32.075 27.471 24.470 1.00 25.52 0 B 1 -ATOM 2780 O O . GLN B 1 147 ? 31.377 26.544 24.886 1.00 19.49 0 B 1 -ATOM 2781 C CB . GLN B 1 147 ? 34.542 27.154 24.896 1.00 32.31 0 B 1 -ATOM 2782 C CG . GLN B 1 147 ? 34.436 25.662 25.188 1.00 48.14 0 B 1 -ATOM 2783 C CD . GLN B 1 147 ? 35.614 24.854 24.669 1.00 51.13 0 B 1 -ATOM 2784 N NE2 . GLN B 1 147 ? 35.543 24.436 23.402 1.00 48.56 0 B 1 -ATOM 2785 O OE1 . GLN B 1 147 ? 36.563 24.579 25.410 1.00 51.25 0 B 1 -ATOM 2786 N N . ILE B 1 148 ? 31.802 28.130 23.346 1.00 19.95 0 B 1 -ATOM 2787 C CA . ILE B 1 148 ? 30.659 27.783 22.506 1.00 18.81 0 B 1 -ATOM 2788 C C . ILE B 1 148 ? 30.803 26.389 21.873 1.00 19.26 0 B 1 -ATOM 2789 O O . ILE B 1 148 ? 31.912 25.944 21.571 1.00 18.93 0 B 1 -ATOM 2790 C CB . ILE B 1 148 ? 30.427 28.874 21.420 1.00 16.83 0 B 1 -ATOM 2791 C CG1 . ILE B 1 148 ? 28.986 28.822 20.916 1.00 18.74 0 B 1 -ATOM 2792 C CG2 . ILE B 1 148 ? 31.411 28.706 20.270 1.00 15.01 0 B 1 -ATOM 2793 C CD1 . ILE B 1 148 ? 28.544 30.080 20.207 1.00 14.19 0 B 1 -ATOM 2794 N N . SER B 1 149 ? 29.682 25.690 21.717 1.00 17.66 0 B 1 -ATOM 2795 C CA . SER B 1 149 ? 29.687 24.356 21.129 1.00 18.92 0 B 1 -ATOM 2796 C C . SER B 1 149 ? 28.632 24.307 20.034 1.00 14.12 0 B 1 -ATOM 2797 O O . SER B 1 149 ? 27.846 25.246 19.893 1.00 15.28 0 B 1 -ATOM 2798 C CB . SER B 1 149 ? 29.375 23.300 22.194 1.00 13.52 0 B 1 -ATOM 2799 O OG . SER B 1 149 ? 28.020 23.373 22.609 1.00 18.98 0 B 1 -ATOM 2800 N N . PHE B 1 150 ? 28.598 23.211 19.274 1.00 10.51 0 B 1 -ATOM 2801 C CA . PHE B 1 150 ? 27.614 23.076 18.201 1.00 14.62 0 B 1 -ATOM 2802 C C . PHE B 1 150 ? 26.188 23.041 18.748 1.00 13.35 0 B 1 -ATOM 2803 O O . PHE B 1 150 ? 25.241 23.424 18.059 1.00 17.57 0 B 1 -ATOM 2804 C CB . PHE B 1 150 ? 27.908 21.848 17.315 1.00 13.17 0 B 1 -ATOM 2805 C CG . PHE B 1 150 ? 27.701 20.518 18.001 1.00 14.56 0 B 1 -ATOM 2806 C CD1 . PHE B 1 150 ? 26.448 19.907 18.007 1.00 12.80 0 B 1 -ATOM 2807 C CD2 . PHE B 1 150 ? 28.759 19.875 18.632 1.00 12.22 0 B 1 -ATOM 2808 C CE1 . PHE B 1 150 ? 26.254 18.678 18.633 1.00 12.82 0 B 1 -ATOM 2809 C CE2 . PHE B 1 150 ? 28.576 18.644 19.263 1.00 12.77 0 B 1 -ATOM 2810 C CZ . PHE B 1 150 ? 27.321 18.044 19.263 1.00 12.23 0 B 1 -ATOM 2811 N N . ALA B 1 151 ? 26.044 22.603 19.998 1.00 12.32 0 B 1 -ATOM 2812 C CA . ALA B 1 151 ? 24.736 22.533 20.646 1.00 5.43 0 B 1 -ATOM 2813 C C . ALA B 1 151 ? 24.168 23.939 20.838 1.00 7.58 0 B 1 -ATOM 2814 O O . ALA B 1 151 ? 22.953 24.136 20.792 1.00 14.56 0 B 1 -ATOM 2815 C CB . ALA B 1 151 ? 24.845 21.807 21.992 1.00 7.30 0 B 1 -ATOM 2816 N N . ASP B 1 152 ? 25.053 24.911 21.047 1.00 9.19 0 B 1 -ATOM 2817 C CA . ASP B 1 152 ? 24.640 26.297 21.227 1.00 13.38 0 B 1 -ATOM 2818 C C . ASP B 1 152 ? 23.923 26.818 19.991 1.00 11.24 0 B 1 -ATOM 2819 O O . ASP B 1 152 ? 22.832 27.390 20.096 1.00 20.67 0 B 1 -ATOM 2820 C CB . ASP B 1 152 ? 25.851 27.184 21.527 1.00 13.77 0 B 1 -ATOM 2821 C CG . ASP B 1 152 ? 26.304 27.086 22.967 1.00 18.46 0 B 1 -ATOM 2822 O OD1 . ASP B 1 152 ? 25.525 27.460 23.862 1.00 17.57 0 B 1 -ATOM 2823 O OD2 . ASP B 1 152 ? 27.447 26.661 23.205 1.00 16.84 0 B 1 -ATOM 2824 N N . TYR B 1 153 ? 24.520 26.588 18.819 1.00 10.18 0 B 1 -ATOM 2825 C CA . TYR B 1 153 ? 23.932 27.041 17.555 1.00 14.20 0 B 1 -ATOM 2826 C C . TYR B 1 153 ? 22.590 26.376 17.306 1.00 14.21 0 B 1 -ATOM 2827 O O . TYR B 1 153 ? 21.647 27.022 16.873 1.00 19.16 0 B 1 -ATOM 2828 C CB . TYR B 1 153 ? 24.880 26.766 16.377 1.00 11.06 0 B 1 -ATOM 2829 C CG . TYR B 1 153 ? 26.180 27.517 16.484 1.00 15.33 0 B 1 -ATOM 2830 C CD1 . TYR B 1 153 ? 26.234 28.896 16.252 1.00 12.64 0 B 1 -ATOM 2831 C CD2 . TYR B 1 153 ? 27.348 26.864 16.867 1.00 11.01 0 B 1 -ATOM 2832 C CE1 . TYR B 1 153 ? 27.424 29.603 16.405 1.00 13.54 0 B 1 -ATOM 2833 C CE2 . TYR B 1 153 ? 28.538 27.556 17.024 1.00 15.55 0 B 1 -ATOM 2834 C CZ . TYR B 1 153 ? 28.570 28.925 16.793 1.00 15.26 0 B 1 -ATOM 2835 O OH . TYR B 1 153 ? 29.750 29.609 16.961 1.00 26.37 0 B 1 -ATOM 2836 N N . ASN B 1 154 ? 22.495 25.088 17.612 1.00 11.02 0 B 1 -ATOM 2837 C CA . ASN B 1 154 ? 21.266 24.342 17.407 1.00 12.36 0 B 1 -ATOM 2838 C C . ASN B 1 154 ? 20.177 24.800 18.383 1.00 11.59 0 B 1 -ATOM 2839 O O . ASN B 1 154 ? 19.012 24.933 18.005 1.00 16.37 0 B 1 -ATOM 2840 C CB . ASN B 1 154 ? 21.522 22.838 17.535 1.00 12.52 0 B 1 -ATOM 2841 C CG . ASN B 1 154 ? 20.439 22.013 16.872 1.00 14.34 0 B 1 -ATOM 2842 N ND2 . ASN B 1 154 ? 20.524 20.701 17.022 1.00 11.42 0 B 1 -ATOM 2843 O OD1 . ASN B 1 154 ? 19.547 22.556 16.218 1.00 21.88 0 B 1 -ATOM 2844 N N . LEU B 1 155 ? 20.563 25.052 19.632 1.00 13.04 0 B 1 -ATOM 2845 C CA . LEU B 1 155 ? 19.601 25.502 20.636 1.00 12.57 0 B 1 -ATOM 2846 C C . LEU B 1 155 ? 19.122 26.904 20.259 1.00 14.39 0 B 1 -ATOM 2847 O O . LEU B 1 155 ? 17.923 27.188 20.308 1.00 16.57 0 B 1 -ATOM 2848 C CB . LEU B 1 155 ? 20.234 25.507 22.034 1.00 9.91 0 B 1 -ATOM 2849 C CG . LEU B 1 155 ? 19.373 26.105 23.158 1.00 9.64 0 B 1 -ATOM 2850 C CD1 . LEU B 1 155 ? 18.026 25.406 23.245 1.00 5.79 0 B 1 -ATOM 2851 C CD2 . LEU B 1 155 ? 20.113 26.008 24.481 1.00 13.09 0 B 1 -ATOM 2852 N N . LEU B 1 156 ? 20.059 27.758 19.846 1.00 13.04 0 B 1 -ATOM 2853 C CA . LEU B 1 156 ? 19.735 29.127 19.442 1.00 15.72 0 B 1 -ATOM 2854 C C . LEU B 1 156 ? 18.696 29.113 18.328 1.00 13.78 0 B 1 -ATOM 2855 O O . LEU B 1 156 ? 17.695 29.829 18.398 1.00 19.57 0 B 1 -ATOM 2856 C CB . LEU B 1 156 ? 20.990 29.861 18.962 1.00 14.52 0 B 1 -ATOM 2857 C CG . LEU B 1 156 ? 20.768 31.321 18.555 1.00 12.15 0 B 1 -ATOM 2858 C CD1 . LEU B 1 156 ? 20.232 32.127 19.737 1.00 10.71 0 B 1 -ATOM 2859 C CD2 . LEU B 1 156 ? 22.068 31.920 18.056 1.00 11.55 0 B 1 -ATOM 2860 N N . ASP B 1 157 ? 18.929 28.286 17.308 1.00 13.43 0 B 1 -ATOM 2861 C CA . ASP B 1 157 ? 17.987 28.182 16.200 1.00 13.19 0 B 1 -ATOM 2862 C C . ASP B 1 157 ? 16.618 27.749 16.712 1.00 15.76 0 B 1 -ATOM 2863 O O . ASP B 1 157 ? 15.595 28.339 16.351 1.00 14.69 0 B 1 -ATOM 2864 C CB . ASP B 1 157 ? 18.482 27.186 15.150 1.00 13.71 0 B 1 -ATOM 2865 C CG . ASP B 1 157 ? 17.480 26.978 14.029 1.00 16.58 0 B 1 -ATOM 2866 O OD1 . ASP B 1 157 ? 17.115 27.969 13.360 1.00 20.52 0 B 1 -ATOM 2867 O OD2 . ASP B 1 157 ? 17.064 25.823 13.813 1.00 16.71 0 B 1 -ATOM 2868 N N . LEU B 1 158 ? 16.605 26.723 17.562 1.00 13.29 0 B 1 -ATOM 2869 C CA . LEU B 1 158 ? 15.353 26.222 18.124 1.00 10.71 0 B 1 -ATOM 2870 C C . LEU B 1 158 ? 14.596 27.345 18.849 1.00 14.58 0 B 1 -ATOM 2871 O O . LEU B 1 158 ? 13.394 27.518 18.658 1.00 12.64 0 B 1 -ATOM 2872 C CB . LEU B 1 158 ? 15.622 25.057 19.084 1.00 11.71 0 B 1 -ATOM 2873 C CG . LEU B 1 158 ? 14.379 24.318 19.605 1.00 13.22 0 B 1 -ATOM 2874 C CD1 . LEU B 1 158 ? 13.689 23.577 18.466 1.00 16.54 0 B 1 -ATOM 2875 C CD2 . LEU B 1 158 ? 14.768 23.344 20.698 1.00 15.64 0 B 1 -ATOM 2876 N N . LEU B 1 159 ? 15.316 28.139 19.635 1.00 11.92 0 B 1 -ATOM 2877 C CA . LEU B 1 159 ? 14.698 29.241 20.375 1.00 12.01 0 B 1 -ATOM 2878 C C . LEU B 1 159 ? 14.142 30.323 19.446 1.00 11.20 0 B 1 -ATOM 2879 O O . LEU B 1 159 ? 13.007 30.769 19.615 1.00 18.11 0 B 1 -ATOM 2880 C CB . LEU B 1 159 ? 15.702 29.839 21.364 1.00 9.78 0 B 1 -ATOM 2881 C CG . LEU B 1 159 ? 16.201 28.856 22.431 1.00 10.85 0 B 1 -ATOM 2882 C CD1 . LEU B 1 159 ? 17.284 29.483 23.291 1.00 3.71 0 B 1 -ATOM 2883 C CD2 . LEU B 1 159 ? 15.033 28.394 23.284 1.00 8.70 0 B 1 -ATOM 2884 N N . LEU B 1 160 ? 14.929 30.707 18.443 1.00 12.51 0 B 1 -ATOM 2885 C CA . LEU B 1 160 ? 14.516 31.723 17.477 1.00 14.29 0 B 1 -ATOM 2886 C C . LEU B 1 160 ? 13.251 31.351 16.709 1.00 16.44 0 B 1 -ATOM 2887 O O . LEU B 1 160 ? 12.353 32.186 16.562 1.00 17.78 0 B 1 -ATOM 2888 C CB . LEU B 1 160 ? 15.648 32.025 16.493 1.00 8.44 0 B 1 -ATOM 2889 C CG . LEU B 1 160 ? 16.904 32.675 17.080 1.00 9.43 0 B 1 -ATOM 2890 C CD1 . LEU B 1 160 ? 17.960 32.798 16.002 1.00 11.30 0 B 1 -ATOM 2891 C CD2 . LEU B 1 160 ? 16.577 34.042 17.657 1.00 12.74 0 B 1 -ATOM 2892 N N . ILE B 1 161 ? 13.153 30.108 16.236 1.00 17.98 0 B 1 -ATOM 2893 C CA . ILE B 1 161 ? 11.962 29.704 15.484 1.00 16.60 0 B 1 -ATOM 2894 C C . ILE B 1 161 ? 10.726 29.613 16.370 1.00 18.65 0 B 1 -ATOM 2895 O O . ILE B 1 161 ? 9.599 29.691 15.876 1.00 18.17 0 B 1 -ATOM 2896 C CB . ILE B 1 161 ? 12.159 28.382 14.692 1.00 17.00 0 B 1 -ATOM 2897 C CG1 . ILE B 1 161 ? 12.388 27.200 15.636 1.00 19.08 0 B 1 -ATOM 2898 C CG2 . ILE B 1 161 ? 13.312 28.530 13.712 1.00 13.07 0 B 1 -ATOM 2899 C CD1 . ILE B 1 161 ? 12.634 25.887 14.913 1.00 12.31 0 B 1 -ATOM 2900 N N . HIS B 1 162 ? 10.935 29.438 17.676 1.00 19.39 0 B 1 -ATOM 2901 C CA . HIS B 1 162 ? 9.816 29.376 18.612 1.00 21.06 0 B 1 -ATOM 2902 C C . HIS B 1 162 ? 9.335 30.778 18.957 1.00 17.69 0 B 1 -ATOM 2903 O O . HIS B 1 162 ? 8.171 30.970 19.300 1.00 13.11 0 B 1 -ATOM 2904 C CB . HIS B 1 162 ? 10.176 28.583 19.871 1.00 17.39 0 B 1 -ATOM 2905 C CG . HIS B 1 162 ? 10.007 27.104 19.709 1.00 19.64 0 B 1 -ATOM 2906 C CD2 . HIS B 1 162 ? 8.932 26.305 19.886 1.00 16.21 0 B 1 -ATOM 2907 N ND1 . HIS B 1 162 ? 11.021 26.287 19.255 1.00 16.20 0 B 1 -ATOM 2908 C CE1 . HIS B 1 162 ? 10.573 25.049 19.153 1.00 15.25 0 B 1 -ATOM 2909 N NE2 . HIS B 1 162 ? 9.309 25.031 19.529 1.00 10.85 0 B 1 -ATOM 2910 N N . GLU B 1 163 ? 10.245 31.749 18.880 1.00 15.81 0 B 1 -ATOM 2911 C CA . GLU B 1 163 ? 9.905 33.148 19.121 1.00 25.52 0 B 1 -ATOM 2912 C C . GLU B 1 163 ? 8.949 33.560 18.006 1.00 21.29 0 B 1 -ATOM 2913 O O . GLU B 1 163 ? 8.013 34.322 18.223 1.00 20.65 0 B 1 -ATOM 2914 C CB . GLU B 1 163 ? 11.157 34.021 19.066 1.00 27.23 0 B 1 -ATOM 2915 C CG . GLU B 1 163 ? 11.764 34.343 20.422 1.00 34.34 0 B 1 -ATOM 2916 C CD . GLU B 1 163 ? 10.884 35.262 21.257 1.00 37.64 0 B 1 -ATOM 2917 O OE1 . GLU B 1 163 ? 10.274 36.192 20.684 1.00 39.21 0 B 1 -ATOM 2918 O OE2 . GLU B 1 163 ? 10.814 35.064 22.491 1.00 36.34 0 B 1 -ATOM 2919 N N . VAL B 1 164 ? 9.188 33.024 16.812 1.00 21.83 0 B 1 -ATOM 2920 C CA . VAL B 1 164 ? 8.352 33.307 15.651 1.00 18.91 0 B 1 -ATOM 2921 C C . VAL B 1 164 ? 7.006 32.593 15.788 1.00 21.88 0 B 1 -ATOM 2922 O O . VAL B 1 164 ? 5.963 33.160 15.465 1.00 25.75 0 B 1 -ATOM 2923 C CB . VAL B 1 164 ? 9.043 32.854 14.337 1.00 19.56 0 B 1 -ATOM 2924 C CG1 . VAL B 1 164 ? 8.125 33.090 13.140 1.00 19.33 0 B 1 -ATOM 2925 C CG2 . VAL B 1 164 ? 10.359 33.598 14.150 1.00 17.02 0 B 1 -ATOM 2926 N N . LEU B 1 165 ? 7.035 31.355 16.276 1.00 19.99 0 B 1 -ATOM 2927 C CA . LEU B 1 165 ? 5.817 30.565 16.453 1.00 19.17 0 B 1 -ATOM 2928 C C . LEU B 1 165 ? 4.922 31.116 17.560 1.00 19.58 0 B 1 -ATOM 2929 O O . LEU B 1 165 ? 3.726 31.327 17.360 1.00 17.01 0 B 1 -ATOM 2930 C CB . LEU B 1 165 ? 6.174 29.111 16.768 1.00 20.52 0 B 1 -ATOM 2931 C CG . LEU B 1 165 ? 5.005 28.153 17.012 1.00 22.32 0 B 1 -ATOM 2932 C CD1 . LEU B 1 165 ? 4.270 27.880 15.707 1.00 16.62 0 B 1 -ATOM 2933 C CD2 . LEU B 1 165 ? 5.521 26.859 17.605 1.00 17.85 0 B 1 -ATOM 2934 N N . ALA B 1 166 ? 5.516 31.325 18.731 1.00 20.59 0 B 1 -ATOM 2935 C CA . ALA B 1 166 ? 4.808 31.837 19.896 1.00 13.85 0 B 1 -ATOM 2936 C C . ALA B 1 166 ? 5.573 33.037 20.436 1.00 18.25 0 B 1 -ATOM 2937 O O . ALA B 1 166 ? 6.410 32.898 21.328 1.00 23.89 0 B 1 -ATOM 2938 C CB . ALA B 1 166 ? 4.706 30.753 20.961 1.00 16.69 0 B 1 -ATOM 2939 N N . PRO B 1 167 ? 5.316 34.232 19.875 1.00 22.86 0 B 1 -ATOM 2940 C CA . PRO B 1 167 ? 5.978 35.472 20.294 1.00 26.14 0 B 1 -ATOM 2941 C C . PRO B 1 167 ? 5.890 35.695 21.801 1.00 26.70 0 B 1 -ATOM 2942 O O . PRO B 1 167 ? 4.812 35.612 22.392 1.00 29.22 0 B 1 -ATOM 2943 C CB . PRO B 1 167 ? 5.208 36.542 19.521 1.00 21.52 0 B 1 -ATOM 2944 C CG . PRO B 1 167 ? 4.843 35.834 18.259 1.00 16.71 0 B 1 -ATOM 2945 C CD . PRO B 1 167 ? 4.365 34.497 18.778 1.00 18.57 0 B 1 -ATOM 2946 N N . GLY B 1 168 ? 7.040 35.938 22.419 1.00 25.24 0 B 1 -ATOM 2947 C CA . GLY B 1 168 ? 7.082 36.167 23.850 1.00 21.07 0 B 1 -ATOM 2948 C C . GLY B 1 168 ? 7.144 34.914 24.707 1.00 21.79 0 B 1 -ATOM 2949 O O . GLY B 1 168 ? 7.100 35.012 25.931 1.00 19.89 0 B 1 -ATOM 2950 N N . CYS B 1 169 ? 7.250 33.741 24.083 1.00 23.97 0 B 1 -ATOM 2951 C CA . CYS B 1 169 ? 7.323 32.484 24.830 1.00 24.34 0 B 1 -ATOM 2952 C C . CYS B 1 169 ? 8.541 32.426 25.758 1.00 22.77 0 B 1 -ATOM 2953 O O . CYS B 1 169 ? 8.551 31.667 26.724 1.00 31.69 0 B 1 -ATOM 2954 C CB . CYS B 1 169 ? 7.335 31.282 23.877 1.00 16.41 0 B 1 -ATOM 2955 S SG . CYS B 1 169 ? 8.792 31.171 22.808 1.00 17.08 0 B 1 -ATOM 2956 N N . LEU B 1 170 ? 9.561 33.229 25.461 1.00 24.39 0 B 1 -ATOM 2957 C CA . LEU B 1 170 ? 10.781 33.282 26.271 1.00 20.35 0 B 1 -ATOM 2958 C C . LEU B 1 170 ? 10.742 34.301 27.416 1.00 19.19 0 B 1 -ATOM 2959 O O . LEU B 1 170 ? 11.709 34.420 28.173 1.00 19.72 0 B 1 -ATOM 2960 C CB . LEU B 1 170 ? 11.992 33.575 25.384 1.00 17.15 0 B 1 -ATOM 2961 C CG . LEU B 1 170 ? 12.803 32.394 24.848 1.00 16.80 0 B 1 -ATOM 2962 C CD1 . LEU B 1 170 ? 11.902 31.383 24.160 1.00 10.63 0 B 1 -ATOM 2963 C CD2 . LEU B 1 170 ? 13.872 32.913 23.900 1.00 5.27 0 B 1 -ATOM 2964 N N . ASP B 1 171 ? 9.640 35.040 27.532 1.00 21.29 0 B 1 -ATOM 2965 C CA . ASP B 1 171 ? 9.488 36.048 28.585 1.00 24.45 0 B 1 -ATOM 2966 C C . ASP B 1 171 ? 9.623 35.456 29.982 1.00 23.44 0 B 1 -ATOM 2967 O O . ASP B 1 171 ? 10.257 36.049 30.855 1.00 20.90 0 B 1 -ATOM 2968 C CB . ASP B 1 171 ? 8.133 36.755 28.467 1.00 27.71 0 B 1 -ATOM 2969 C CG . ASP B 1 171 ? 8.071 37.724 27.298 1.00 28.64 0 B 1 -ATOM 2970 O OD1 . ASP B 1 171 ? 9.138 38.086 26.753 1.00 28.32 0 B 1 -ATOM 2971 O OD2 . ASP B 1 171 ? 6.946 38.132 26.930 1.00 31.45 0 B 1 -ATOM 2972 N N . ALA B 1 172 ? 9.037 34.277 30.175 1.00 24.48 0 B 1 -ATOM 2973 C CA . ALA B 1 172 ? 9.076 33.582 31.458 1.00 25.65 0 B 1 -ATOM 2974 C C . ALA B 1 172 ? 10.435 32.960 31.791 1.00 25.01 0 B 1 -ATOM 2975 O O . ALA B 1 172 ? 10.623 32.432 32.886 1.00 23.04 0 B 1 -ATOM 2976 C CB . ALA B 1 172 ? 7.992 32.508 31.491 1.00 30.50 0 B 1 -ATOM 2977 N N . PHE B 1 173 ? 11.381 33.032 30.859 1.00 26.18 0 B 1 -ATOM 2978 C CA . PHE B 1 173 ? 12.701 32.443 31.066 1.00 21.10 0 B 1 -ATOM 2979 C C . PHE B 1 173 ? 13.825 33.463 30.910 1.00 18.78 0 B 1 -ATOM 2980 O O . PHE B 1 173 ? 14.427 33.581 29.844 1.00 20.55 0 B 1 -ATOM 2981 C CB . PHE B 1 173 ? 12.902 31.277 30.094 1.00 21.10 0 B 1 -ATOM 2982 C CG . PHE B 1 173 ? 11.837 30.219 30.191 1.00 23.87 0 B 1 -ATOM 2983 C CD1 . PHE B 1 173 ? 11.906 29.234 31.171 1.00 18.46 0 B 1 -ATOM 2984 C CD2 . PHE B 1 173 ? 10.749 30.229 29.323 1.00 19.08 0 B 1 -ATOM 2985 C CE1 . PHE B 1 173 ? 10.904 28.276 31.290 1.00 14.23 0 B 1 -ATOM 2986 C CE2 . PHE B 1 173 ? 9.740 29.275 29.432 1.00 18.91 0 B 1 -ATOM 2987 C CZ . PHE B 1 173 ? 9.818 28.296 30.419 1.00 25.29 0 B 1 -ATOM 2988 N N . PRO B 1 174 ? 14.159 34.175 31.998 1.00 15.72 0 B 1 -ATOM 2989 C CA . PRO B 1 174 ? 15.211 35.196 32.015 1.00 16.41 0 B 1 -ATOM 2990 C C . PRO B 1 174 ? 16.584 34.781 31.492 1.00 19.36 0 B 1 -ATOM 2991 O O . PRO B 1 174 ? 17.246 35.562 30.809 1.00 21.01 0 B 1 -ATOM 2992 C CB . PRO B 1 174 ? 15.255 35.625 33.487 1.00 16.86 0 B 1 -ATOM 2993 C CG . PRO B 1 174 ? 14.677 34.453 34.223 1.00 16.59 0 B 1 -ATOM 2994 C CD . PRO B 1 174 ? 13.551 34.038 33.333 1.00 14.44 0 B 1 -ATOM 2995 N N . LEU B 1 175 ? 17.018 33.566 31.814 1.00 20.80 0 B 1 -ATOM 2996 C CA . LEU B 1 175 ? 18.320 33.078 31.359 1.00 21.32 0 B 1 -ATOM 2997 C C . LEU B 1 175 ? 18.340 32.767 29.861 1.00 18.16 0 B 1 -ATOM 2998 O O . LEU B 1 175 ? 19.303 33.096 29.170 1.00 13.77 0 B 1 -ATOM 2999 C CB . LEU B 1 175 ? 18.747 31.853 32.170 1.00 23.44 0 B 1 -ATOM 3000 C CG . LEU B 1 175 ? 19.588 32.073 33.435 1.00 21.58 0 B 1 -ATOM 3001 C CD1 . LEU B 1 175 ? 19.345 33.431 34.057 1.00 17.52 0 B 1 -ATOM 3002 C CD2 . LEU B 1 175 ? 19.298 30.969 34.420 1.00 13.25 0 B 1 -ATOM 3003 N N . LEU B 1 176 ? 17.277 32.143 29.359 1.00 17.16 0 B 1 -ATOM 3004 C CA . LEU B 1 176 ? 17.193 31.824 27.939 1.00 17.61 0 B 1 -ATOM 3005 C C . LEU B 1 176 ? 17.136 33.113 27.117 1.00 17.18 0 B 1 -ATOM 3006 O O . LEU B 1 176 ? 17.803 33.221 26.087 1.00 19.88 0 B 1 -ATOM 3007 C CB . LEU B 1 176 ? 15.972 30.946 27.643 1.00 15.69 0 B 1 -ATOM 3008 C CG . LEU B 1 176 ? 16.059 29.481 28.085 1.00 14.41 0 B 1 -ATOM 3009 C CD1 . LEU B 1 176 ? 14.751 28.769 27.786 1.00 11.72 0 B 1 -ATOM 3010 C CD2 . LEU B 1 176 ? 17.216 28.783 27.379 1.00 9.36 0 B 1 -ATOM 3011 N N . SER B 1 177 ? 16.373 34.095 27.598 1.00 15.10 0 B 1 -ATOM 3012 C CA . SER B 1 177 ? 16.242 35.385 26.919 1.00 16.57 0 B 1 -ATOM 3013 C C . SER B 1 177 ? 17.585 36.099 26.816 1.00 18.74 0 B 1 -ATOM 3014 O O . SER B 1 177 ? 17.950 36.600 25.751 1.00 20.73 0 B 1 -ATOM 3015 C CB . SER B 1 177 ? 15.242 36.279 27.653 1.00 16.00 0 B 1 -ATOM 3016 O OG . SER B 1 177 ? 13.941 35.722 27.614 1.00 20.33 0 B 1 -ATOM 3017 N N . ALA B 1 178 ? 18.318 36.141 27.924 1.00 11.58 0 B 1 -ATOM 3018 C CA . ALA B 1 178 ? 19.623 36.786 27.942 1.00 17.06 0 B 1 -ATOM 3019 C C . ALA B 1 178 ? 20.579 36.019 27.036 1.00 14.46 0 B 1 -ATOM 3020 O O . ALA B 1 178 ? 21.392 36.614 26.325 1.00 15.80 0 B 1 -ATOM 3021 C CB . ALA B 1 178 ? 20.168 36.831 29.363 1.00 10.21 0 B 1 -ATOM 3022 N N . TYR B 1 179 ? 20.468 34.693 27.079 1.00 16.71 0 B 1 -ATOM 3023 C CA . TYR B 1 179 ? 21.291 33.784 26.279 1.00 12.14 0 B 1 -ATOM 3024 C C . TYR B 1 179 ? 21.106 34.087 24.790 1.00 7.51 0 B 1 -ATOM 3025 O O . TYR B 1 179 ? 22.082 34.258 24.061 1.00 15.37 0 B 1 -ATOM 3026 C CB . TYR B 1 179 ? 20.892 32.339 26.609 1.00 11.62 0 B 1 -ATOM 3027 C CG . TYR B 1 179 ? 21.514 31.257 25.759 1.00 11.65 0 B 1 -ATOM 3028 C CD1 . TYR B 1 179 ? 22.831 30.842 25.963 1.00 13.48 0 B 1 -ATOM 3029 C CD2 . TYR B 1 179 ? 20.759 30.598 24.786 1.00 10.91 0 B 1 -ATOM 3030 C CE1 . TYR B 1 179 ? 23.378 29.792 25.222 1.00 19.05 0 B 1 -ATOM 3031 C CE2 . TYR B 1 179 ? 21.295 29.549 24.041 1.00 20.66 0 B 1 -ATOM 3032 C CZ . TYR B 1 179 ? 22.598 29.151 24.264 1.00 21.12 0 B 1 -ATOM 3033 O OH . TYR B 1 179 ? 23.110 28.108 23.527 1.00 18.52 0 B 1 -ATOM 3034 N N . VAL B 1 180 ? 19.850 34.194 24.362 1.00 12.90 0 B 1 -ATOM 3035 C CA . VAL B 1 180 ? 19.513 34.500 22.973 1.00 13.81 0 B 1 -ATOM 3036 C C . VAL B 1 180 ? 20.072 35.863 22.559 1.00 20.60 0 B 1 -ATOM 3037 O O . VAL B 1 180 ? 20.697 35.980 21.510 1.00 20.35 0 B 1 -ATOM 3038 C CB . VAL B 1 180 ? 17.978 34.484 22.745 1.00 15.30 0 B 1 -ATOM 3039 C CG1 . VAL B 1 180 ? 17.625 35.055 21.374 1.00 18.53 0 B 1 -ATOM 3040 C CG2 . VAL B 1 180 ? 17.452 33.068 22.856 1.00 16.63 0 B 1 -ATOM 3041 N N . GLY B 1 181 ? 19.865 36.879 23.395 1.00 18.58 0 B 1 -ATOM 3042 C CA . GLY B 1 181 ? 20.361 38.210 23.083 1.00 12.06 0 B 1 -ATOM 3043 C C . GLY B 1 181 ? 21.875 38.254 22.999 1.00 18.34 0 B 1 -ATOM 3044 O O . GLY B 1 181 ? 22.445 38.877 22.102 1.00 22.58 0 B 1 -ATOM 3045 N N . ARG B 1 182 ? 22.522 37.554 23.923 1.00 16.53 0 B 1 -ATOM 3046 C CA . ARG B 1 182 ? 23.978 37.496 23.994 1.00 22.44 0 B 1 -ATOM 3047 C C . ARG B 1 182 ? 24.591 36.826 22.759 1.00 25.73 0 B 1 -ATOM 3048 O O . ARG B 1 182 ? 25.530 37.356 22.162 1.00 27.11 0 B 1 -ATOM 3049 C CB . ARG B 1 182 ? 24.393 36.743 25.260 1.00 19.69 0 B 1 -ATOM 3050 C CG . ARG B 1 182 ? 25.872 36.818 25.602 1.00 21.09 0 B 1 -ATOM 3051 C CD . ARG B 1 182 ? 26.198 35.901 26.779 1.00 22.39 0 B 1 -ATOM 3052 N NE . ARG B 1 182 ? 25.217 36.053 27.848 1.00 22.10 0 B 1 -ATOM 3053 C CZ . ARG B 1 182 ? 24.516 35.055 28.377 1.00 22.91 0 B 1 -ATOM 3054 N NH1 . ARG B 1 182 ? 24.685 33.808 27.956 1.00 16.66 0 B 1 -ATOM 3055 N NH2 . ARG B 1 182 ? 23.594 35.315 29.291 1.00 29.17 0 B 1 -ATOM 3056 N N . LEU B 1 183 ? 24.069 35.659 22.384 1.00 26.25 0 B 1 -ATOM 3057 C CA . LEU B 1 183 ? 24.586 34.942 21.220 1.00 22.67 0 B 1 -ATOM 3058 C C . LEU B 1 183 ? 24.290 35.679 19.910 1.00 18.30 0 B 1 -ATOM 3059 O O . LEU B 1 183 ? 25.139 35.736 19.024 1.00 13.93 0 B 1 -ATOM 3060 C CB . LEU B 1 183 ? 24.045 33.510 21.165 1.00 22.19 0 B 1 -ATOM 3061 C CG . LEU B 1 183 ? 24.545 32.516 22.220 1.00 22.41 0 B 1 -ATOM 3062 C CD1 . LEU B 1 183 ? 24.214 31.104 21.769 1.00 20.64 0 B 1 -ATOM 3063 C CD2 . LEU B 1 183 ? 26.046 32.644 22.408 1.00 19.56 0 B 1 -ATOM 3064 N N . SER B 1 184 ? 23.088 36.246 19.806 1.00 19.36 0 B 1 -ATOM 3065 C CA . SER B 1 184 ? 22.673 37.002 18.627 1.00 20.42 0 B 1 -ATOM 3066 C C . SER B 1 184 ? 23.539 38.243 18.419 1.00 20.33 0 B 1 -ATOM 3067 O O . SER B 1 184 ? 23.526 38.835 17.337 1.00 12.83 0 B 1 -ATOM 3068 C CB . SER B 1 184 ? 21.222 37.457 18.768 1.00 15.74 0 B 1 -ATOM 3069 O OG . SER B 1 184 ? 20.335 36.362 18.844 1.00 16.70 0 B 1 -ATOM 3070 N N . ALA B 1 185 ? 24.266 38.642 19.462 1.00 18.29 0 B 1 -ATOM 3071 C CA . ALA B 1 185 ? 25.122 39.823 19.411 1.00 23.43 0 B 1 -ATOM 3072 C C . ALA B 1 185 ? 26.542 39.550 18.918 1.00 26.18 0 B 1 -ATOM 3073 O O . ALA B 1 185 ? 27.303 40.486 18.666 1.00 24.92 0 B 1 -ATOM 3074 C CB . ALA B 1 185 ? 25.160 40.503 20.777 1.00 20.43 0 B 1 -ATOM 3075 N N . ARG B 1 186 ? 26.911 38.278 18.801 1.00 26.18 0 B 1 -ATOM 3076 C CA . ARG B 1 186 ? 28.247 37.925 18.324 1.00 26.64 0 B 1 -ATOM 3077 C C . ARG B 1 186 ? 28.400 38.520 16.923 1.00 28.41 0 B 1 -ATOM 3078 O O . ARG B 1 186 ? 27.537 38.330 16.069 1.00 30.13 0 B 1 -ATOM 3079 C CB . ARG B 1 186 ? 28.419 36.402 18.319 1.00 23.40 0 B 1 -ATOM 3080 C CG . ARG B 1 186 ? 28.309 35.792 19.719 1.00 18.60 0 B 1 -ATOM 3081 C CD . ARG B 1 186 ? 28.265 34.267 19.701 1.00 20.48 0 B 1 -ATOM 3082 N NE . ARG B 1 186 ? 29.456 33.685 19.091 1.00 25.07 0 B 1 -ATOM 3083 C CZ . ARG B 1 186 ? 30.578 33.396 19.744 1.00 26.64 0 B 1 -ATOM 3084 N NH1 . ARG B 1 186 ? 30.676 33.621 21.050 1.00 19.44 0 B 1 -ATOM 3085 N NH2 . ARG B 1 186 ? 31.604 32.869 19.090 1.00 23.60 0 B 1 -ATOM 3086 N N . PRO B 1 187 ? 29.488 39.274 16.686 1.00 30.59 0 B 1 -ATOM 3087 C CA . PRO B 1 187 ? 29.827 39.950 15.425 1.00 26.44 0 B 1 -ATOM 3088 C C . PRO B 1 187 ? 29.441 39.247 14.115 1.00 21.46 0 B 1 -ATOM 3089 O O . PRO B 1 187 ? 28.553 39.717 13.390 1.00 24.71 0 B 1 -ATOM 3090 C CB . PRO B 1 187 ? 31.335 40.139 15.548 1.00 30.16 0 B 1 -ATOM 3091 C CG . PRO B 1 187 ? 31.496 40.416 16.994 1.00 27.07 0 B 1 -ATOM 3092 C CD . PRO B 1 187 ? 30.617 39.361 17.630 1.00 28.27 0 B 1 -ATOM 3093 N N . LYS B 1 188 ? 30.106 38.132 13.817 1.00 21.60 0 B 1 -ATOM 3094 C CA . LYS B 1 188 ? 29.845 37.374 12.593 1.00 18.43 0 B 1 -ATOM 3095 C C . LYS B 1 188 ? 28.436 36.797 12.510 1.00 18.26 0 B 1 -ATOM 3096 O O . LYS B 1 188 ? 27.838 36.774 11.434 1.00 20.91 0 B 1 -ATOM 3097 C CB . LYS B 1 188 ? 30.881 36.265 12.427 1.00 18.51 0 B 1 -ATOM 3098 C CG . LYS B 1 188 ? 32.297 36.785 12.316 1.00 24.79 0 B 1 -ATOM 3099 C CD . LYS B 1 188 ? 33.317 35.663 12.365 1.00 29.19 0 B 1 -ATOM 3100 C CE . LYS B 1 188 ? 34.731 36.219 12.413 1.00 30.22 0 B 1 -ATOM 3101 N NZ . LYS B 1 188 ? 34.991 37.115 11.248 1.00 37.51 0 B 1 -ATOM 3102 N N . LEU B 1 189 ? 27.900 36.357 13.647 1.00 21.29 0 B 1 -ATOM 3103 C CA . LEU B 1 189 ? 26.554 35.785 13.697 1.00 18.96 0 B 1 -ATOM 3104 C C . LEU B 1 189 ? 25.487 36.847 13.462 1.00 17.64 0 B 1 -ATOM 3105 O O . LEU B 1 189 ? 24.491 36.594 12.780 1.00 21.16 0 B 1 -ATOM 3106 C CB . LEU B 1 189 ? 26.301 35.116 15.050 1.00 20.25 0 B 1 -ATOM 3107 C CG . LEU B 1 189 ? 25.680 33.717 15.053 1.00 20.25 0 B 1 -ATOM 3108 C CD1 . LEU B 1 189 ? 25.217 33.395 16.463 1.00 16.53 0 B 1 -ATOM 3109 C CD2 . LEU B 1 189 ? 24.513 33.625 14.092 1.00 14.65 0 B 1 -ATOM 3110 N N . LYS B 1 190 ? 25.695 38.025 14.049 1.00 14.01 0 B 1 -ATOM 3111 C CA . LYS B 1 190 ? 24.762 39.142 13.912 1.00 16.31 0 B 1 -ATOM 3112 C C . LYS B 1 190 ? 24.663 39.571 12.448 1.00 14.21 0 B 1 -ATOM 3113 O O . LYS B 1 190 ? 23.568 39.802 11.932 1.00 17.24 0 B 1 -ATOM 3114 C CB . LYS B 1 190 ? 25.213 40.329 14.764 1.00 22.64 0 B 1 -ATOM 3115 C CG . LYS B 1 190 ? 24.250 41.493 14.713 1.00 23.47 0 B 1 -ATOM 3116 C CD . LYS B 1 190 ? 24.779 42.685 15.469 1.00 31.13 0 B 1 -ATOM 3117 C CE . LYS B 1 190 ? 23.784 43.830 15.405 1.00 33.37 0 B 1 -ATOM 3118 N NZ . LYS B 1 190 ? 24.286 45.018 16.141 1.00 40.48 0 B 1 -ATOM 3119 N N . ALA B 1 191 ? 25.819 39.665 11.794 1.00 15.99 0 B 1 -ATOM 3120 C CA . ALA B 1 191 ? 25.898 40.042 10.385 1.00 18.03 0 B 1 -ATOM 3121 C C . ALA B 1 191 ? 25.154 39.015 9.527 1.00 20.66 0 B 1 -ATOM 3122 O O . ALA B 1 191 ? 24.355 39.377 8.661 1.00 26.50 0 B 1 -ATOM 3123 C CB . ALA B 1 191 ? 27.357 40.133 9.957 1.00 14.30 0 B 1 -ATOM 3124 N N . PHE B 1 192 ? 25.393 37.733 9.803 1.00 22.15 0 B 1 -ATOM 3125 C CA . PHE B 1 192 ? 24.747 36.647 9.071 1.00 14.39 0 B 1 -ATOM 3126 C C . PHE B 1 192 ? 23.232 36.623 9.256 1.00 11.67 0 B 1 -ATOM 3127 O O . PHE B 1 192 ? 22.489 36.459 8.290 1.00 19.68 0 B 1 -ATOM 3128 C CB . PHE B 1 192 ? 25.346 35.292 9.473 1.00 19.55 0 B 1 -ATOM 3129 C CG . PHE B 1 192 ? 24.670 34.111 8.822 1.00 19.45 0 B 1 -ATOM 3130 C CD1 . PHE B 1 192 ? 24.921 33.794 7.488 1.00 15.14 0 B 1 -ATOM 3131 C CD2 . PHE B 1 192 ? 23.762 33.329 9.536 1.00 17.19 0 B 1 -ATOM 3132 C CE1 . PHE B 1 192 ? 24.274 32.721 6.871 1.00 12.58 0 B 1 -ATOM 3133 C CE2 . PHE B 1 192 ? 23.110 32.256 8.930 1.00 14.15 0 B 1 -ATOM 3134 C CZ . PHE B 1 192 ? 23.367 31.951 7.593 1.00 12.14 0 B 1 -ATOM 3135 N N . LEU B 1 193 ? 22.773 36.789 10.492 1.00 13.49 0 B 1 -ATOM 3136 C CA . LEU B 1 193 ? 21.336 36.771 10.775 1.00 15.50 0 B 1 -ATOM 3137 C C . LEU B 1 193 ? 20.581 37.923 10.123 1.00 19.11 0 B 1 -ATOM 3138 O O . LEU B 1 193 ? 19.370 37.834 9.914 1.00 24.51 0 B 1 -ATOM 3139 C CB . LEU B 1 193 ? 21.076 36.772 12.286 1.00 12.08 0 B 1 -ATOM 3140 C CG . LEU B 1 193 ? 21.483 35.511 13.052 1.00 15.18 0 B 1 -ATOM 3141 C CD1 . LEU B 1 193 ? 21.284 35.724 14.541 1.00 8.36 0 B 1 -ATOM 3142 C CD2 . LEU B 1 193 ? 20.676 34.320 12.567 1.00 6.63 0 B 1 -ATOM 3143 N N . ALA B 1 194 ? 21.300 38.993 9.790 1.00 18.65 0 B 1 -ATOM 3144 C CA . ALA B 1 194 ? 20.686 40.157 9.166 1.00 19.38 0 B 1 -ATOM 3145 C C . ALA B 1 194 ? 20.754 40.134 7.639 1.00 19.83 0 B 1 -ATOM 3146 O O . ALA B 1 194 ? 20.049 40.896 6.977 1.00 23.33 0 B 1 -ATOM 3147 C CB . ALA B 1 194 ? 21.328 41.430 9.699 1.00 15.24 0 B 1 -ATOM 3148 N N . SER B 1 195 ? 21.581 39.247 7.087 1.00 21.13 0 B 1 -ATOM 3149 C CA . SER B 1 195 ? 21.767 39.134 5.634 1.00 17.90 0 B 1 -ATOM 3150 C C . SER B 1 195 ? 20.570 38.551 4.875 1.00 23.92 0 B 1 -ATOM 3151 O O . SER B 1 195 ? 19.751 37.834 5.450 1.00 22.17 0 B 1 -ATOM 3152 C CB . SER B 1 195 ? 23.009 38.296 5.336 1.00 15.47 0 B 1 -ATOM 3153 O OG . SER B 1 195 ? 22.754 36.920 5.553 1.00 21.25 0 B 1 -ATOM 3154 N N . PRO B 1 196 ? 20.459 38.850 3.566 1.00 25.26 0 B 1 -ATOM 3155 C CA . PRO B 1 196 ? 19.368 38.363 2.712 1.00 23.00 0 B 1 -ATOM 3156 C C . PRO B 1 196 ? 19.424 36.837 2.613 1.00 21.73 0 B 1 -ATOM 3157 O O . PRO B 1 196 ? 18.404 36.167 2.472 1.00 18.53 0 B 1 -ATOM 3158 C CB . PRO B 1 196 ? 19.684 38.997 1.354 1.00 24.29 0 B 1 -ATOM 3159 C CG . PRO B 1 196 ? 20.451 40.225 1.711 1.00 20.55 0 B 1 -ATOM 3160 C CD . PRO B 1 196 ? 21.359 39.731 2.794 1.00 15.32 0 B 1 -ATOM 3161 N N . GLU B 1 197 ? 20.648 36.319 2.669 1.00 20.96 0 B 1 -ATOM 3162 C CA . GLU B 1 197 ? 20.949 34.893 2.601 1.00 22.86 0 B 1 -ATOM 3163 C C . GLU B 1 197 ? 20.135 34.114 3.635 1.00 26.46 0 B 1 -ATOM 3164 O O . GLU B 1 197 ? 19.642 33.013 3.363 1.00 21.00 0 B 1 -ATOM 3165 C CB . GLU B 1 197 ? 22.436 34.720 2.888 1.00 26.21 0 B 1 -ATOM 3166 C CG . GLU B 1 197 ? 23.027 33.392 2.540 1.00 28.84 0 B 1 -ATOM 3167 C CD . GLU B 1 197 ? 24.517 33.359 2.798 1.00 25.99 0 B 1 -ATOM 3168 O OE1 . GLU B 1 197 ? 25.173 34.412 2.628 1.00 25.70 0 B 1 -ATOM 3169 O OE2 . GLU B 1 197 ? 25.031 32.280 3.159 1.00 29.94 0 B 1 -ATOM 3170 N N . TYR B 1 198 ? 20.005 34.702 4.823 1.00 27.33 0 B 1 -ATOM 3171 C CA . TYR B 1 198 ? 19.261 34.105 5.923 1.00 19.34 0 B 1 -ATOM 3172 C C . TYR B 1 198 ? 17.818 34.610 5.957 1.00 20.19 0 B 1 -ATOM 3173 O O . TYR B 1 198 ? 16.867 33.826 5.883 1.00 20.35 0 B 1 -ATOM 3174 C CB . TYR B 1 198 ? 19.967 34.420 7.254 1.00 15.45 0 B 1 -ATOM 3175 C CG . TYR B 1 198 ? 19.226 33.955 8.490 1.00 12.17 0 B 1 -ATOM 3176 C CD1 . TYR B 1 198 ? 19.427 32.677 9.012 1.00 9.87 0 B 1 -ATOM 3177 C CD2 . TYR B 1 198 ? 18.309 34.789 9.127 1.00 15.82 0 B 1 -ATOM 3178 C CE1 . TYR B 1 198 ? 18.727 32.239 10.140 1.00 12.46 0 B 1 -ATOM 3179 C CE2 . TYR B 1 198 ? 17.608 34.367 10.249 1.00 21.35 0 B 1 -ATOM 3180 C CZ . TYR B 1 198 ? 17.817 33.092 10.750 1.00 17.33 0 B 1 -ATOM 3181 O OH . TYR B 1 198 ? 17.103 32.675 11.849 1.00 19.87 0 B 1 -ATOM 3182 N N . VAL B 1 199 ? 17.670 35.927 6.049 1.00 19.14 0 B 1 -ATOM 3183 C CA . VAL B 1 199 ? 16.366 36.582 6.134 1.00 19.10 0 B 1 -ATOM 3184 C C . VAL B 1 199 ? 15.352 36.264 5.038 1.00 17.68 0 B 1 -ATOM 3185 O O . VAL B 1 199 ? 14.171 36.078 5.326 1.00 18.04 0 B 1 -ATOM 3186 C CB . VAL B 1 199 ? 16.534 38.123 6.238 1.00 20.97 0 B 1 -ATOM 3187 C CG1 . VAL B 1 199 ? 15.184 38.817 6.206 1.00 20.99 0 B 1 -ATOM 3188 C CG2 . VAL B 1 199 ? 17.271 38.484 7.512 1.00 17.13 0 B 1 -ATOM 3189 N N . ASN B 1 200 ? 15.803 36.184 3.790 1.00 21.55 0 B 1 -ATOM 3190 C CA . ASN B 1 200 ? 14.886 35.928 2.675 1.00 25.18 0 B 1 -ATOM 3191 C C . ASN B 1 200 ? 14.529 34.473 2.387 1.00 24.64 0 B 1 -ATOM 3192 O O . ASN B 1 200 ? 13.881 34.168 1.385 1.00 25.69 0 B 1 -ATOM 3193 C CB . ASN B 1 200 ? 15.377 36.642 1.412 1.00 24.45 0 B 1 -ATOM 3194 C CG . ASN B 1 200 ? 15.353 38.154 1.561 1.00 27.13 0 B 1 -ATOM 3195 N ND2 . ASN B 1 200 ? 16.351 38.828 1.000 1.00 28.21 0 B 1 -ATOM 3196 O OD1 . ASN B 1 200 ? 14.457 38.706 2.201 1.00 23.60 0 B 1 -ATOM 3197 N N . LEU B 1 201 ? 14.936 33.584 3.283 1.00 20.73 0 B 1 -ATOM 3198 C CA . LEU B 1 201 ? 14.641 32.164 3.155 1.00 15.96 0 B 1 -ATOM 3199 C C . LEU B 1 201 ? 13.515 31.839 4.129 1.00 19.98 0 B 1 -ATOM 3200 O O . LEU B 1 201 ? 13.528 32.304 5.271 1.00 25.50 0 B 1 -ATOM 3201 C CB . LEU B 1 201 ? 15.881 31.355 3.532 1.00 15.95 0 B 1 -ATOM 3202 C CG . LEU B 1 201 ? 16.493 30.419 2.496 1.00 18.38 0 B 1 -ATOM 3203 C CD1 . LEU B 1 201 ? 16.619 31.110 1.151 1.00 16.86 0 B 1 -ATOM 3204 C CD2 . LEU B 1 201 ? 17.848 29.953 3.002 1.00 12.46 0 B 1 -ATOM 3205 N N . PRO B 1 202 ? 12.488 31.097 3.676 1.00 18.50 0 B 1 -ATOM 3206 C CA . PRO B 1 202 ? 11.390 30.756 4.594 1.00 15.12 0 B 1 -ATOM 3207 C C . PRO B 1 202 ? 11.907 29.747 5.625 1.00 15.58 0 B 1 -ATOM 3208 O O . PRO B 1 202 ? 12.851 29.003 5.345 1.00 16.38 0 B 1 -ATOM 3209 C CB . PRO B 1 202 ? 10.350 30.134 3.662 1.00 14.29 0 B 1 -ATOM 3210 C CG . PRO B 1 202 ? 11.187 29.505 2.596 1.00 16.63 0 B 1 -ATOM 3211 C CD . PRO B 1 202 ? 12.232 30.566 2.328 1.00 16.20 0 B 1 -ATOM 3212 N N . ILE B 1 203 ? 11.325 29.746 6.822 1.00 14.53 0 B 1 -ATOM 3213 C CA . ILE B 1 203 ? 11.769 28.824 7.865 1.00 18.40 0 B 1 -ATOM 3214 C C . ILE B 1 203 ? 11.506 27.368 7.468 1.00 23.26 0 B 1 -ATOM 3215 O O . ILE B 1 203 ? 12.410 26.528 7.505 1.00 23.19 0 B 1 -ATOM 3216 C CB . ILE B 1 203 ? 11.087 29.126 9.234 1.00 12.52 0 B 1 -ATOM 3217 C CG1 . ILE B 1 203 ? 11.539 30.496 9.751 1.00 13.41 0 B 1 -ATOM 3218 C CG2 . ILE B 1 203 ? 11.443 28.047 10.257 1.00 10.56 0 B 1 -ATOM 3219 C CD1 . ILE B 1 203 ? 10.893 30.904 11.060 1.00 12.66 0 B 1 -ATOM 3220 N N . ASN B 1 204 ? 10.273 27.098 7.053 1.00 26.24 0 B 1 -ATOM 3221 C CA . ASN B 1 204 ? 9.868 25.757 6.658 1.00 19.80 0 B 1 -ATOM 3222 C C . ASN B 1 204 ? 9.429 25.659 5.195 1.00 21.93 0 B 1 -ATOM 3223 O O . ASN B 1 204 ? 9.132 26.666 4.548 1.00 22.04 0 B 1 -ATOM 3224 C CB . ASN B 1 204 ? 8.749 25.268 7.586 1.00 18.30 0 B 1 -ATOM 3225 C CG . ASN B 1 204 ? 9.135 25.365 9.053 1.00 14.35 0 B 1 -ATOM 3226 N ND2 . ASN B 1 204 ? 8.392 26.159 9.813 1.00 7.66 0 B 1 -ATOM 3227 O OD1 . ASN B 1 204 ? 10.094 24.730 9.492 1.00 21.92 0 B 1 -ATOM 3228 N N . GLY B 1 205 ? 9.396 24.430 4.688 1.00 26.54 0 B 1 -ATOM 3229 C CA . GLY B 1 205 ? 9.018 24.184 3.311 1.00 24.22 0 B 1 -ATOM 3230 C C . GLY B 1 205 ? 7.556 24.355 2.944 1.00 26.89 0 B 1 -ATOM 3231 O O . GLY B 1 205 ? 7.223 24.334 1.761 1.00 27.16 0 B 1 -ATOM 3232 N N . ASN B 1 206 ? 6.676 24.527 3.925 1.00 23.46 0 B 1 -ATOM 3233 C CA . ASN B 1 206 ? 5.256 24.695 3.624 1.00 25.80 0 B 1 -ATOM 3234 C C . ASN B 1 206 ? 4.724 26.105 3.889 1.00 28.61 0 B 1 -ATOM 3235 O O . ASN B 1 206 ? 3.511 26.327 3.918 1.00 25.95 0 B 1 -ATOM 3236 C CB . ASN B 1 206 ? 4.406 23.646 4.359 1.00 24.67 0 B 1 -ATOM 3237 C CG . ASN B 1 206 ? 4.395 23.837 5.869 1.00 28.71 0 B 1 -ATOM 3238 N ND2 . ASN B 1 206 ? 3.457 23.173 6.537 1.00 24.47 0 B 1 -ATOM 3239 O OD1 . ASN B 1 206 ? 5.209 24.572 6.426 1.00 27.42 0 B 1 -ATOM 3240 N N . GLY B 1 207 ? 5.634 27.054 4.089 1.00 33.24 0 B 1 -ATOM 3241 C CA . GLY B 1 207 ? 5.230 28.428 4.331 1.00 36.25 0 B 1 -ATOM 3242 C C . GLY B 1 207 ? 4.623 28.715 5.693 1.00 34.91 0 B 1 -ATOM 3243 O O . GLY B 1 207 ? 4.155 29.828 5.936 1.00 38.54 0 B 1 -ATOM 3244 N N . LYS B 1 208 ? 4.597 27.717 6.571 1.00 28.00 0 B 1 -ATOM 3245 C CA . LYS B 1 208 ? 4.056 27.909 7.911 1.00 23.51 0 B 1 -ATOM 3246 C C . LYS B 1 208 ? 5.206 28.170 8.878 1.00 24.82 0 B 1 -ATOM 3247 O O . LYS B 1 208 ? 6.328 27.720 8.647 1.00 26.76 0 B 1 -ATOM 3248 C CB . LYS B 1 208 ? 3.233 26.695 8.341 1.00 25.92 0 B 1 -ATOM 3249 C CG . LYS B 1 208 ? 2.007 26.480 7.474 1.00 30.95 0 B 1 -ATOM 3250 C CD . LYS B 1 208 ? 1.195 25.291 7.926 1.00 34.64 0 B 1 -ATOM 3251 C CE . LYS B 1 208 ? -0.012 25.107 7.027 1.00 35.28 0 B 1 -ATOM 3252 N NZ . LYS B 1 208 ? -0.843 23.951 7.447 1.00 28.67 0 B 1 -ATOM 3253 N N . GLN B 1 209 ? 4.930 28.935 9.932 1.00 24.80 0 B 1 -ATOM 3254 C CA . GLN B 1 209 ? 5.937 29.288 10.932 1.00 22.99 0 B 1 -ATOM 3255 C C . GLN B 1 209 ? 5.293 29.857 12.198 1.00 24.33 0 B 1 -ATOM 3256 O O . GLN B 1 209 ? 6.039 30.248 13.126 1.00 24.66 0 B 1 -ATOM 3257 C CB . GLN B 1 209 ? 6.903 30.317 10.352 1.00 21.13 0 B 1 -ATOM 3258 C CG . GLN B 1 209 ? 6.206 31.505 9.726 1.00 21.64 0 B 1 -ATOM 3259 C CD . GLN B 1 209 ? 7.146 32.636 9.396 1.00 23.83 0 B 1 -ATOM 3260 N NE2 . GLN B 1 209 ? 8.237 32.319 8.697 1.00 29.73 0 B 1 -ATOM 3261 O OE1 . GLN B 1 209 ? 6.914 33.780 9.783 1.00 34.40 0 B 1 -ATOM 3262 O OXT . GLN B 1 209 ? 4.045 29.916 12.245 1.00 27.65 0 B 1 -HETATM 3263 N N . VWW C 2 210 ? 15.088 10.798 23.547 1.00 14.90 0 A 1 -HETATM 3264 C CA . VWW C 2 210 ? 15.010 9.987 24.792 1.00 20.92 0 A 1 -HETATM 3265 C CA1 . VWW C 2 210 ? 10.472 6.967 27.934 1.00 24.20 0 A 1 -HETATM 3266 C CA2 . VWW C 2 210 ? 7.740 7.933 30.366 1.00 24.25 0 A 1 -HETATM 3267 C C . VWW C 2 210 ? 16.115 8.924 24.830 1.00 21.55 0 A 1 -HETATM 3268 O O . VWW C 2 210 ? 16.520 8.515 25.940 1.00 17.16 0 A 1 -HETATM 3269 C CB . VWW C 2 210 ? 13.635 9.327 24.908 1.00 14.23 0 A 1 -HETATM 3270 C CB1 . VWW C 2 210 ? 10.726 5.484 28.206 1.00 26.79 0 A 1 -HETATM 3271 C CB2 . VWW C 2 210 ? 6.555 7.062 30.633 1.00 24.94 0 A 1 -HETATM 3272 C CG . VWW C 2 210 ? 13.394 8.708 26.271 1.00 18.34 0 A 1 -HETATM 3273 C CG1 . VWW C 2 210 ? 5.330 7.315 30.027 1.00 25.47 0 A 1 -HETATM 3274 C CG2 . VWW C 2 210 ? 6.683 5.941 31.441 1.00 26.11 0 A 1 -HETATM 3275 S SG . VWW C 2 210 ? 11.291 4.524 26.810 1.00 31.02 0 A 1 -HETATM 3276 C CD . VWW C 2 210 ? 12.045 8.046 26.402 1.00 18.27 0 A 1 -HETATM 3277 C CD1 . VWW C 2 210 ? 9.729 3.804 26.262 1.00 32.02 0 A 1 -HETATM 3278 C CD11 . VWW C 2 210 ? 4.250 6.459 30.220 1.00 26.21 0 A 1 -HETATM 3279 C CD2 . VWW C 2 210 ? 5.611 5.081 31.640 1.00 25.33 0 A 1 -HETATM 3280 C CE . VWW C 2 210 ? 8.930 3.171 27.370 1.00 33.22 0 A 1 -HETATM 3281 C CE1 . VWW C 2 210 ? 4.392 5.339 31.027 1.00 24.08 0 A 1 -HETATM 3282 O OE1 . VWW C 2 210 ? 11.293 7.936 25.435 1.00 19.98 0 A 1 -HETATM 3283 C CZ1 . VWW C 2 210 ? 7.640 3.614 27.650 1.00 35.26 0 A 1 -HETATM 3284 C CZ2 . VWW C 2 210 ? 9.464 2.135 28.133 1.00 31.51 0 A 1 -HETATM 3285 C CH . VWW C 2 210 ? 7.437 2.001 29.430 1.00 30.54 0 A 1 -HETATM 3286 O OXT . VWW C 2 210 ? 16.578 8.524 23.744 1.00 21.48 0 A 1 -HETATM 3287 O OXT1 . VWW C 2 210 ? 7.569 10.068 29.284 1.00 29.96 0 A 1 -HETATM 3288 C C1 . VWW C 2 210 ? 9.834 7.550 29.180 1.00 22.41 0 A 1 -HETATM 3289 N N1 . VWW C 2 210 ? 11.726 7.642 27.628 1.00 23.67 0 A 1 -HETATM 3290 O O1 . VWW C 2 210 ? 10.522 8.023 30.084 1.00 21.77 0 A 1 -HETATM 3291 C C2 . VWW C 2 210 ? 7.452 9.433 30.354 1.00 29.42 0 A 1 -HETATM 3292 N N2 . VWW C 2 210 ? 8.512 7.468 29.229 1.00 21.35 0 A 1 -HETATM 3293 O O2 . VWW C 2 210 ? 7.116 9.957 31.433 1.00 30.71 0 A 1 -HETATM 3294 C CT1 . VWW C 2 210 ? 6.893 3.037 28.673 1.00 35.56 0 A 1 -HETATM 3295 C CT2 . VWW C 2 210 ? 8.723 1.550 29.161 1.00 27.28 0 A 1 -HETATM 3296 O O1 . MES D 3 211 ? 22.426 -6.667 36.176 1.00 47.79 0 A 1 -HETATM 3297 O O1S . MES D 3 211 ? 27.719 -9.006 31.068 1.00 60.43 0 A 1 -HETATM 3298 C C2 . MES D 3 211 ? 22.801 -7.743 37.079 1.00 46.49 0 A 1 -HETATM 3299 O O2S . MES D 3 211 ? 26.255 -11.032 31.776 1.00 58.34 0 A 1 -HETATM 3300 C C3 . MES D 3 211 ? 23.908 -8.618 36.449 1.00 45.47 0 A 1 -HETATM 3301 O O3S . MES D 3 211 ? 28.102 -10.124 33.414 1.00 56.85 0 A 1 -HETATM 3302 N N4 . MES D 3 211 ? 24.406 -8.004 35.114 1.00 49.73 0 A 1 -HETATM 3303 C C5 . MES D 3 211 ? 24.696 -6.484 35.214 1.00 41.90 0 A 1 -HETATM 3304 C C6 . MES D 3 211 ? 23.492 -5.734 35.827 1.00 45.08 0 A 1 -HETATM 3305 C C7 . MES D 3 211 ? 25.584 -8.790 34.500 1.00 49.89 0 A 1 -HETATM 3306 C C8 . MES D 3 211 ? 25.740 -8.580 32.981 1.00 55.35 0 A 1 -HETATM 3307 S S . MES D 3 211 ? 26.952 -9.695 32.274 1.00 57.16 0 A 1 -HETATM 3308 N N . VWW E 2 210 ? 17.077 12.945 10.162 1.00 16.89 0 B 1 -HETATM 3309 C CA . VWW E 2 210 ? 17.306 13.763 8.940 1.00 21.84 0 B 1 -HETATM 3310 C CA1 . VWW E 2 210 ? 13.684 16.374 4.504 1.00 22.40 0 B 1 -HETATM 3311 C CA2 . VWW E 2 210 ? 11.953 15.187 1.357 1.00 26.47 0 B 1 -HETATM 3312 C C . VWW E 2 210 ? 18.253 14.931 9.229 1.00 24.69 0 B 1 -HETATM 3313 O O . VWW E 2 210 ? 18.940 15.391 8.288 1.00 19.58 0 B 1 -HETATM 3314 C CB . VWW E 2 210 ? 15.973 14.285 8.391 1.00 21.52 0 B 1 -HETATM 3315 C CB1 . VWW E 2 210 ? 13.860 17.880 4.304 1.00 25.98 0 B 1 -HETATM 3316 C CB2 . VWW E 2 210 ? 10.828 15.943 0.724 1.00 27.64 0 B 1 -HETATM 3317 C CG . VWW E 2 210 ? 16.106 14.903 7.011 1.00 21.74 0 B 1 -HETATM 3318 C CG1 . VWW E 2 210 ? 9.506 15.556 0.922 1.00 28.67 0 B 1 -HETATM 3319 C CG2 . VWW E 2 210 ? 11.088 17.086 -0.019 1.00 27.10 0 B 1 -HETATM 3320 S SG . VWW E 2 210 ? 13.864 18.870 5.795 1.00 35.19 0 B 1 -HETATM 3321 C CD . VWW E 2 210 ? 14.805 15.431 6.460 1.00 19.99 0 B 1 -HETATM 3322 C CD1 . VWW E 2 210 ? 12.146 19.418 5.816 1.00 31.95 0 B 1 -HETATM 3323 C CD11 . VWW E 2 210 ? 8.460 16.304 0.392 1.00 26.56 0 B 1 -HETATM 3324 C CD2 . VWW E 2 210 ? 10.051 17.840 -0.551 1.00 27.11 0 B 1 -HETATM 3325 C CE . VWW E 2 210 ? 11.671 19.986 4.505 1.00 31.48 0 B 1 -HETATM 3326 C CE1 . VWW E 2 210 ? 8.734 17.449 -0.345 1.00 24.74 0 B 1 -HETATM 3327 O OE1 . VWW E 2 210 ? 13.783 15.449 7.146 1.00 22.91 0 B 1 -HETATM 3328 C CZ1 . VWW E 2 210 ? 10.584 19.426 3.847 1.00 31.71 0 B 1 -HETATM 3329 C CZ2 . VWW E 2 210 ? 12.309 21.081 3.929 1.00 30.47 0 B 1 -HETATM 3330 C CH . VWW E 2 210 ? 10.781 21.040 2.071 1.00 29.23 0 B 1 -HETATM 3331 O OXT . VWW E 2 210 ? 18.308 15.365 10.399 1.00 24.44 0 B 1 -HETATM 3332 O OXT1 . VWW E 2 210 ? 11.666 13.022 2.358 1.00 31.09 0 B 1 -HETATM 3333 C C1 . VWW E 2 210 ? 13.527 15.754 3.130 1.00 22.49 0 B 1 -HETATM 3334 N N1 . VWW E 2 210 ? 14.842 15.822 5.191 1.00 19.67 0 B 1 -HETATM 3335 O O1 . VWW E 2 210 ? 14.506 15.367 2.491 1.00 21.23 0 B 1 -HETATM 3336 C C2 . VWW E 2 210 ? 11.827 13.665 1.299 1.00 32.59 0 B 1 -HETATM 3337 N N2 . VWW E 2 210 ? 12.284 15.705 2.672 1.00 24.26 0 B 1 -HETATM 3338 O O2 . VWW E 2 210 ? 11.904 13.131 0.176 1.00 37.14 0 B 1 -HETATM 3339 C CT1 . VWW E 2 210 ? 10.137 19.946 2.637 1.00 34.94 0 B 1 -HETATM 3340 C CT2 . VWW E 2 210 ? 11.868 21.609 2.717 1.00 29.43 0 B 1 -HETATM 3341 O O1 . MES F 3 211 ? 26.183 31.272 0.193 1.00 47.12 0 B 1 -HETATM 3342 O O1S . MES F 3 211 ? 29.363 34.038 6.659 1.00 62.19 0 B 1 -HETATM 3343 C C2 . MES F 3 211 ? 26.710 32.396 -0.566 1.00 47.61 0 B 1 -HETATM 3344 O O2S . MES F 3 211 ? 28.000 35.922 5.502 1.00 57.67 0 B 1 -HETATM 3345 C C3 . MES F 3 211 ? 27.473 33.366 0.366 1.00 47.56 0 B 1 -HETATM 3346 O O3S . MES F 3 211 ? 30.342 35.231 4.534 1.00 60.73 0 B 1 -HETATM 3347 N N4 . MES F 3 211 ? 27.589 32.781 1.797 1.00 49.71 0 B 1 -HETATM 3348 C C5 . MES F 3 211 ? 28.048 31.299 1.811 1.00 44.05 0 B 1 -HETATM 3349 C C6 . MES F 3 211 ? 27.174 30.444 0.869 1.00 43.80 0 B 1 -HETATM 3350 C C7 . MES F 3 211 ? 28.433 33.671 2.737 1.00 50.84 0 B 1 -HETATM 3351 C C8 . MES F 3 211 ? 28.128 33.451 4.233 1.00 55.09 0 B 1 -HETATM 3352 S S . MES F 3 211 ? 28.942 34.670 5.266 1.00 57.55 0 B 1 -HETATM 3353 O O . HOH G 4 212 ? 16.856 5.713 8.800 1.00 16.93 0 A 1 -HETATM 3354 O O . HOH G 4 213 ? 24.864 12.790 14.954 1.00 15.27 0 A 1 -HETATM 3355 O O . HOH G 4 214 ? 19.222 10.125 22.641 1.00 14.60 0 A 1 -HETATM 3356 O O . HOH G 4 215 ? 17.994 -5.269 27.742 1.00 26.25 0 A 1 -HETATM 3357 O O . HOH G 4 216 ? 14.836 11.499 17.763 1.00 45.60 0 A 1 -HETATM 3358 O O . HOH G 4 217 ? 12.296 -1.485 21.696 1.00 22.48 0 A 1 -HETATM 3359 O O . HOH G 4 218 ? 18.264 -0.347 22.604 1.00 24.01 0 A 1 -HETATM 3360 O O . HOH G 4 219 ? 18.984 -6.819 30.132 1.00 24.49 0 A 1 -HETATM 3361 O O . HOH G 4 220 ? 8.846 0.722 7.703 1.00 38.31 0 A 1 -HETATM 3362 O O . HOH G 4 221 ? 15.392 13.020 31.056 1.00 15.92 0 A 1 -HETATM 3363 O O . HOH G 4 222 ? 32.502 -9.851 15.386 1.00 39.94 0 A 1 -HETATM 3364 O O . HOH G 4 223 ? 15.654 -5.183 22.314 1.00 19.30 0 A 1 -HETATM 3365 O O . HOH G 4 224 ? 20.867 1.758 24.123 1.00 14.59 0 A 1 -HETATM 3366 O O . HOH G 4 225 ? 15.898 12.316 28.420 1.00 22.41 0 A 1 -HETATM 3367 O O . HOH G 4 226 ? 20.408 -5.887 32.343 1.00 22.92 0 A 1 -HETATM 3368 O O . HOH G 4 227 ? 27.482 -9.504 6.105 1.00 28.92 0 A 1 -HETATM 3369 O O . HOH G 4 228 ? 20.742 13.852 12.295 1.00 9.82 0 A 1 -HETATM 3370 O O . HOH G 4 229 ? 11.227 5.784 23.411 1.00 34.16 0 A 1 -HETATM 3371 O O . HOH G 4 230 ? 32.290 -8.743 12.401 1.00 27.08 0 A 1 -HETATM 3372 O O . HOH G 4 231 ? 31.990 11.506 26.647 1.00 12.76 0 A 1 -HETATM 3373 O O . HOH G 4 232 ? 14.962 -2.529 21.860 1.00 18.34 0 A 1 -HETATM 3374 O O . HOH G 4 233 ? 16.967 8.325 7.992 1.00 24.06 0 A 1 -HETATM 3375 O O . HOH G 4 234 ? 15.543 -2.258 33.685 1.00 25.16 0 A 1 -HETATM 3376 O O . HOH G 4 235 ? 17.114 -0.678 35.263 1.00 19.58 0 A 1 -HETATM 3377 O O . HOH G 4 236 ? 8.791 9.465 39.334 1.00 37.60 0 A 1 -HETATM 3378 O O . HOH G 4 237 ? 34.310 14.016 12.452 1.00 12.67 0 A 1 -HETATM 3379 O O . HOH G 4 238 ? 13.969 12.616 26.601 1.00 21.95 0 A 1 -HETATM 3380 O O . HOH G 4 239 ? 10.160 0.310 24.282 1.00 20.56 0 A 1 -HETATM 3381 O O . HOH G 4 240 ? 19.312 2.039 21.582 1.00 18.05 0 A 1 -HETATM 3382 O O . HOH G 4 241 ? 10.029 -8.816 33.060 1.00 39.55 0 A 1 -HETATM 3383 O O . HOH G 4 242 ? 35.056 1.807 16.312 1.00 32.72 0 A 1 -HETATM 3384 O O . HOH G 4 243 ? 13.779 5.993 9.092 1.00 28.71 0 A 1 -HETATM 3385 O O . HOH G 4 244 ? 18.411 4.734 18.522 1.00 18.23 0 A 1 -HETATM 3386 O O . HOH G 4 245 ? 18.955 4.897 21.430 1.00 34.55 0 A 1 -HETATM 3387 O O . HOH G 4 246 ? 12.692 -15.663 2.165 1.00 27.14 0 A 1 -HETATM 3388 O O . HOH G 4 247 ? 9.528 -6.057 17.702 1.00 30.61 0 A 1 -HETATM 3389 O O . HOH G 4 248 ? 27.848 11.658 24.970 1.00 22.35 0 A 1 -HETATM 3390 O O . HOH G 4 249 ? 7.063 -5.964 24.445 1.00 25.56 0 A 1 -HETATM 3391 O O . HOH G 4 250 ? 31.718 -4.759 6.672 1.00 25.20 0 A 1 -HETATM 3392 O O . HOH G 4 251 ? 37.235 5.300 19.246 1.00 28.68 0 A 1 -HETATM 3393 O O . HOH G 4 252 ? 22.335 -4.853 39.078 1.00 31.25 0 A 1 -HETATM 3394 O O . HOH G 4 253 ? 11.924 9.200 12.190 1.00 27.02 0 A 1 -HETATM 3395 O O . HOH G 4 254 ? 22.634 -16.179 22.533 1.00 23.30 0 A 1 -HETATM 3396 O O . HOH G 4 255 ? 23.228 -14.875 19.924 1.00 29.84 0 A 1 -HETATM 3397 O O . HOH G 4 256 ? 16.518 4.011 6.773 1.00 26.05 0 A 1 -HETATM 3398 O O . HOH G 4 257 ? 17.155 11.725 38.434 1.00 29.61 0 A 1 -HETATM 3399 O O . HOH G 4 258 ? 19.367 -6.248 21.908 1.00 41.40 0 A 1 -HETATM 3400 O O . HOH G 4 259 ? 13.105 11.178 13.974 1.00 35.34 0 A 1 -HETATM 3401 O O . HOH G 4 260 ? 23.943 -14.188 3.426 1.00 35.78 0 A 1 -HETATM 3402 O O . HOH G 4 261 ? 18.267 11.003 14.044 1.00 24.26 0 A 1 -HETATM 3403 O O . HOH G 4 262 ? 32.513 -10.999 23.068 1.00 30.58 0 A 1 -HETATM 3404 O O . HOH G 4 263 ? 16.471 -1.866 41.441 1.00 32.83 0 A 1 -HETATM 3405 O O . HOH G 4 264 ? 10.393 2.476 2.672 1.00 43.77 0 A 1 -HETATM 3406 O O . HOH G 4 265 ? 26.084 15.089 36.221 1.00 33.85 0 A 1 -HETATM 3407 O O . HOH G 4 266 ? 11.074 16.591 34.671 1.00 26.74 0 A 1 -HETATM 3408 O O . HOH G 4 267 ? 16.029 -5.074 34.430 1.00 29.28 0 A 1 -HETATM 3409 O O . HOH G 4 268 ? 33.504 14.579 37.879 1.00 37.22 0 A 1 -HETATM 3410 O O . HOH G 4 269 ? 20.015 14.786 37.509 1.00 31.57 0 A 1 -HETATM 3411 O O . HOH G 4 270 ? 9.850 -0.734 0.799 1.00 44.55 0 A 1 -HETATM 3412 O O . HOH G 4 271 ? 18.006 7.436 40.198 1.00 40.60 0 A 1 -HETATM 3413 O O . HOH G 4 272 ? 5.802 14.337 37.928 1.00 47.63 0 A 1 -HETATM 3414 O O . HOH G 4 273 ? 17.859 -6.963 33.405 1.00 37.00 0 A 1 -HETATM 3415 O O . HOH G 4 274 ? 6.322 16.122 35.511 1.00 28.36 0 A 1 -HETATM 3416 O O . HOH G 4 275 ? 11.584 2.588 23.272 1.00 23.29 0 A 1 -HETATM 3417 O O . HOH G 4 276 ? 9.668 -6.831 4.979 1.00 37.46 0 A 1 -HETATM 3418 O O . HOH G 4 277 ? 15.345 -11.632 16.617 1.00 35.47 0 A 1 -HETATM 3419 O O . HOH G 4 278 ? 21.967 9.383 17.161 1.00 11.59 0 A 1 -HETATM 3420 O O . HOH G 4 279 ? 33.769 2.278 6.604 1.00 31.81 0 A 1 -HETATM 3421 O O . HOH G 4 280 ? 12.853 1.052 20.658 1.00 33.35 0 A 1 -HETATM 3422 O O . HOH G 4 281 ? 27.322 -14.924 9.874 1.00 39.84 0 A 1 -HETATM 3423 O O . HOH G 4 282 ? 5.859 4.345 12.095 1.00 46.01 0 A 1 -HETATM 3424 O O . HOH G 4 283 ? 36.569 -0.737 18.630 1.00 34.35 0 A 1 -HETATM 3425 O O . HOH G 4 284 ? 10.770 15.081 27.119 1.00 36.53 0 A 1 -HETATM 3426 O O . HOH G 4 285 ? -1.304 -1.156 7.791 1.00 42.24 0 A 1 -HETATM 3427 O O . HOH G 4 286 ? 12.014 18.258 32.649 1.00 30.71 0 A 1 -HETATM 3428 O O . HOH G 4 287 ? 35.197 -9.125 12.192 1.00 44.56 0 A 1 -HETATM 3429 O O . HOH G 4 288 ? 5.317 -9.782 15.687 1.00 42.83 0 A 1 -HETATM 3430 O O . HOH G 4 289 ? 17.900 -13.931 22.827 1.00 31.70 0 A 1 -HETATM 3431 O O . HOH G 4 290 ? 30.457 1.930 5.937 1.00 34.51 0 A 1 -HETATM 3432 O O . HOH G 4 291 ? 0.159 1.325 24.052 1.00 33.35 0 A 1 -HETATM 3433 O O . HOH G 4 292 ? 27.422 4.747 39.020 1.00 28.33 0 A 1 -HETATM 3434 O O . HOH G 4 293 ? 8.527 -6.033 32.765 1.00 28.41 0 A 1 -HETATM 3435 O O . HOH G 4 294 ? 12.675 -10.466 3.337 1.00 33.14 0 A 1 -HETATM 3436 O O . HOH G 4 295 ? 33.330 5.562 30.933 1.00 28.38 0 A 1 -HETATM 3437 O O . HOH G 4 296 ? 11.028 12.083 23.872 1.00 38.22 0 A 1 -HETATM 3438 O O . HOH G 4 297 ? 37.257 -1.627 32.977 1.00 49.09 0 A 1 -HETATM 3439 O O . HOH G 4 298 ? 36.471 -4.552 17.071 1.00 24.34 0 A 1 -HETATM 3440 O O . HOH G 4 299 ? 3.874 1.565 28.811 1.00 42.87 0 A 1 -HETATM 3441 O O . HOH G 4 300 ? 8.600 7.749 17.971 1.00 29.12 0 A 1 -HETATM 3442 O O . HOH G 4 301 ? 41.584 12.051 12.322 1.00 33.56 0 A 1 -HETATM 3443 O O . HOH G 4 302 ? 31.419 0.293 13.055 1.00 23.07 0 A 1 -HETATM 3444 O O . HOH G 4 303 ? 16.415 9.458 28.524 1.00 17.32 0 A 1 -HETATM 3445 O O . HOH G 4 304 ? 7.037 7.219 26.157 1.00 22.76 0 A 1 -HETATM 3446 O O . HOH H 4 212 ? 13.454 17.756 24.597 1.00 11.01 0 B 1 -HETATM 3447 O O . HOH H 4 213 ? 18.085 19.167 15.835 1.00 20.98 0 B 1 -HETATM 3448 O O . HOH H 4 214 ? 28.073 24.985 25.071 1.00 20.71 0 B 1 -HETATM 3449 O O . HOH H 4 215 ? 8.484 29.206 13.621 1.00 22.56 0 B 1 -HETATM 3450 O O . HOH H 4 216 ? 21.680 22.641 11.177 1.00 20.63 0 B 1 -HETATM 3451 O O . HOH H 4 217 ? 12.796 19.616 26.586 1.00 22.96 0 B 1 -HETATM 3452 O O . HOH H 4 218 ? 23.867 11.810 21.308 1.00 14.20 0 B 1 -HETATM 3453 O O . HOH H 4 219 ? 28.411 23.073 31.892 1.00 38.20 0 B 1 -HETATM 3454 O O . HOH H 4 220 ? 13.508 15.158 25.523 1.00 21.69 0 B 1 -HETATM 3455 O O . HOH H 4 221 ? 32.876 23.696 23.150 1.00 31.35 0 B 1 -HETATM 3456 O O . HOH H 4 222 ? 19.426 29.201 7.021 1.00 29.18 0 B 1 -HETATM 3457 O O . HOH H 4 223 ? 21.360 24.690 -0.419 1.00 18.00 0 B 1 -HETATM 3458 O O . HOH H 4 224 ? 20.012 14.460 5.832 1.00 16.04 0 B 1 -HETATM 3459 O O . HOH H 4 225 ? 36.423 28.055 4.818 1.00 43.31 0 B 1 -HETATM 3460 O O . HOH H 4 226 ? 19.814 10.908 2.980 1.00 28.43 0 B 1 -HETATM 3461 O O . HOH H 4 227 ? 12.712 24.833 10.939 1.00 23.65 0 B 1 -HETATM 3462 O O . HOH H 4 228 ? 19.813 21.921 13.343 1.00 14.31 0 B 1 -HETATM 3463 O O . HOH H 4 229 ? 17.244 11.061 6.881 1.00 12.39 0 B 1 -HETATM 3464 O O . HOH H 4 230 ? 15.170 26.190 11.302 1.00 13.73 0 B 1 -HETATM 3465 O O . HOH H 4 231 ? 11.046 18.004 27.978 1.00 30.85 0 B 1 -HETATM 3466 O O . HOH H 4 232 ? 20.516 31.037 5.021 1.00 25.86 0 B 1 -HETATM 3467 O O . HOH H 4 233 ? 5.351 22.274 23.007 1.00 30.70 0 B 1 -HETATM 3468 O O . HOH H 4 234 ? 21.403 33.860 30.311 1.00 25.27 0 B 1 -HETATM 3469 O O . HOH H 4 235 ? 18.828 24.080 11.817 1.00 23.57 0 B 1 -HETATM 3470 O O . HOH H 4 236 ? 15.756 29.068 11.383 1.00 32.38 0 B 1 -HETATM 3471 O O . HOH H 4 237 ? 4.305 23.672 30.142 1.00 33.02 0 B 1 -HETATM 3472 O O . HOH H 4 238 ? 35.926 20.607 21.381 1.00 34.53 0 B 1 -HETATM 3473 O O . HOH H 4 239 ? 13.712 22.115 11.957 1.00 32.52 0 B 1 -HETATM 3474 O O . HOH H 4 240 ? 35.901 20.117 8.789 1.00 28.22 0 B 1 -HETATM 3475 O O . HOH H 4 241 ? 21.023 40.639 20.260 1.00 39.76 0 B 1 -HETATM 3476 O O . HOH H 4 242 ? 26.051 29.906 31.091 1.00 19.51 0 B 1 -HETATM 3477 O O . HOH H 4 243 ? 5.040 20.399 28.595 1.00 30.69 0 B 1 -HETATM 3478 O O . HOH H 4 244 ? 12.948 20.736 9.025 1.00 32.24 0 B 1 -HETATM 3479 O O . HOH H 4 245 ? 19.519 11.655 5.700 1.00 13.35 0 B 1 -HETATM 3480 O O . HOH H 4 246 ? 21.185 40.432 13.086 1.00 24.15 0 B 1 -HETATM 3481 O O . HOH H 4 247 ? 15.496 27.009 36.045 1.00 38.12 0 B 1 -HETATM 3482 O O . HOH H 4 248 ? 8.232 29.139 7.075 1.00 37.92 0 B 1 -HETATM 3483 O O . HOH H 4 249 ? 23.635 37.390 2.269 1.00 27.76 0 B 1 -HETATM 3484 O O . HOH H 4 250 ? 28.841 37.090 8.825 1.00 33.25 0 B 1 -HETATM 3485 O O . HOH H 4 251 ? 17.405 12.665 20.396 1.00 36.33 0 B 1 -HETATM 3486 O O . HOH H 4 252 ? 21.360 39.448 26.486 1.00 35.67 0 B 1 -HETATM 3487 O O . HOH H 4 253 ? 15.307 5.358 4.523 1.00 41.74 0 B 1 -HETATM 3488 O O . HOH H 4 254 ? 19.157 26.110 0.532 1.00 20.88 0 B 1 -HETATM 3489 O O . HOH H 4 255 ? 29.444 13.529 12.853 1.00 27.96 0 B 1 -HETATM 3490 O O . HOH H 4 256 ? 33.907 30.157 22.715 1.00 35.59 0 B 1 -HETATM 3491 O O . HOH H 4 257 ? 18.367 30.578 13.288 1.00 40.73 0 B 1 -HETATM 3492 O O . HOH H 4 258 ? 10.744 17.520 23.522 1.00 30.43 0 B 1 -HETATM 3493 O O . HOH H 4 259 ? 23.552 12.315 -3.486 1.00 32.43 0 B 1 -HETATM 3494 O O . HOH H 4 260 ? 7.831 27.765 2.466 1.00 57.19 0 B 1 -HETATM 3495 O O . HOH H 4 261 ? -0.154 21.656 8.944 1.00 29.55 0 B 1 -HETATM 3496 O O . HOH H 4 262 ? 32.082 14.883 -1.225 1.00 39.42 0 B 1 -HETATM 3497 O O . HOH H 4 263 ? 15.054 7.963 5.666 1.00 37.56 0 B 1 -HETATM 3498 O O . HOH H 4 264 ? 20.953 39.600 15.834 1.00 42.54 0 B 1 -HETATM 3499 O O . HOH H 4 265 ? 12.952 32.530 -0.873 1.00 26.67 0 B 1 -HETATM 3500 O O . HOH H 4 266 ? 12.340 15.041 11.905 1.00 41.80 0 B 1 -HETATM 3501 O O . HOH H 4 267 ? 19.239 28.961 -0.427 1.00 38.64 0 B 1 -HETATM 3502 O O . HOH H 4 268 ? 32.271 23.932 26.288 1.00 32.90 0 B 1 -HETATM 3503 O O . HOH H 4 269 ? 31.221 36.442 15.893 1.00 36.29 0 B 1 -HETATM 3504 O O . HOH H 4 270 ? 8.747 32.091 35.052 1.00 28.20 0 B 1 -HETATM 3505 O O . HOH H 4 271 ? 17.008 6.889 -1.756 1.00 30.88 0 B 1 -HETATM 3506 O O . HOH H 4 272 ? 22.759 30.393 3.495 1.00 20.28 0 B 1 -HETATM 3507 O O . HOH H 4 273 ? 34.578 26.557 21.290 1.00 34.08 0 B 1 -HETATM 3508 O O . HOH H 4 274 ? 3.412 32.437 13.821 1.00 51.39 0 B 1 -HETATM 3509 O O . HOH H 4 275 ? 11.493 22.916 7.603 1.00 35.42 0 B 1 -HETATM 3510 O O . HOH H 4 276 ? 27.933 38.505 22.492 1.00 34.14 0 B 1 -HETATM 3511 O O . HOH H 4 277 ? 16.161 35.587 13.217 1.00 45.32 0 B 1 -HETATM 3512 O O . HOH H 4 278 ? 38.124 18.161 7.834 1.00 37.78 0 B 1 -HETATM 3513 O O . HOH H 4 279 ? 34.808 11.002 19.084 1.00 46.41 0 B 1 -HETATM 3514 O O . HOH H 4 280 ? 12.943 34.982 16.348 1.00 31.71 0 B 1 -HETATM 3515 O O . HOH H 4 281 ? 33.453 33.293 22.322 1.00 38.86 0 B 1 -HETATM 3516 O O . HOH H 4 282 ? 11.583 34.856 4.214 1.00 45.28 0 B 1 -HETATM 3517 O O . HOH H 4 283 ? 37.564 10.772 22.960 1.00 45.16 0 B 1 -HETATM 3518 O O . HOH H 4 284 ? 26.947 9.801 -1.180 1.00 33.54 0 B 1 -HETATM 3519 O O . HOH H 4 285 ? 28.871 12.308 -3.005 1.00 33.00 0 B 1 -HETATM 3520 O O . HOH H 4 286 ? 21.585 14.640 18.240 1.00 14.49 0 B 1 -HETATM 3521 O O . HOH H 4 287 ? 12.893 16.815 9.297 1.00 40.60 0 B 1 -ATOM 1 N N . PRO A 1 2 ? 30.676 3.060 38.855 1.00 40.30 0 A 2 -ATOM 2 C CA . PRO A 1 2 ? 30.782 2.468 37.511 1.00 33.93 0 A 2 -ATOM 3 C C . PRO A 1 2 ? 29.570 3.000 36.767 1.00 24.70 0 A 2 -ATOM 4 O O . PRO A 1 2 ? 29.260 4.190 36.863 1.00 17.72 0 A 2 -ATOM 5 C CB . PRO A 1 2 ? 30.703 0.967 37.719 1.00 42.93 0 A 2 -ATOM 6 C CG . PRO A 1 2 ? 29.727 0.883 38.893 1.00 45.34 0 A 2 -ATOM 7 C CD . PRO A 1 2 ? 30.154 2.064 39.795 1.00 46.68 0 A 2 -ATOM 8 N N . TYR A 1 3 ? 28.857 2.131 36.069 1.00 20.79 0 A 2 -ATOM 9 C CA . TYR A 1 3 ? 27.691 2.547 35.317 1.00 17.22 0 A 2 -ATOM 10 C C . TYR A 1 3 ? 26.421 2.056 35.953 1.00 14.75 0 A 2 -ATOM 11 O O . TYR A 1 3 ? 26.382 0.991 36.568 1.00 21.91 0 A 2 -ATOM 12 C CB . TYR A 1 3 ? 27.742 2.000 33.906 1.00 15.81 0 A 2 -ATOM 13 C CG . TYR A 1 3 ? 29.009 2.320 33.163 1.00 11.31 0 A 2 -ATOM 14 C CD1 . TYR A 1 3 ? 29.326 3.633 32.827 1.00 9.55 0 A 2 -ATOM 15 C CD2 . TYR A 1 3 ? 29.850 1.299 32.736 1.00 10.62 0 A 2 -ATOM 16 C CE1 . TYR A 1 3 ? 30.451 3.918 32.080 1.00 10.73 0 A 2 -ATOM 17 C CE2 . TYR A 1 3 ? 30.978 1.576 31.988 1.00 15.60 0 A 2 -ATOM 18 C CZ . TYR A 1 3 ? 31.276 2.887 31.661 1.00 18.08 0 A 2 -ATOM 19 O OH . TYR A 1 3 ? 32.415 3.174 30.929 1.00 26.51 0 A 2 -ATOM 20 N N . THR A 1 4 ? 25.355 2.791 35.703 1.00 11.26 0 A 2 -ATOM 21 C CA . THR A 1 4 ? 24.057 2.446 36.222 1.00 16.83 0 A 2 -ATOM 22 C C . THR A 1 4 ? 23.014 2.902 35.218 1.00 18.11 0 A 2 -ATOM 23 O O . THR A 1 4 ? 23.017 4.067 34.799 1.00 13.77 0 A 2 -ATOM 24 C CB . THR A 1 4 ? 23.814 3.161 37.567 1.00 19.14 0 A 2 -ATOM 25 C CG2 . THR A 1 4 ? 22.419 2.832 38.129 1.00 13.24 0 A 2 -ATOM 26 O OG1 . THR A 1 4 ? 24.821 2.747 38.496 1.00 23.80 0 A 2 -ATOM 27 N N . VAL A 1 5 ? 22.192 1.969 34.746 1.00 17.20 0 A 2 -ATOM 28 C CA . VAL A 1 5 ? 21.140 2.354 33.824 1.00 19.45 0 A 2 -ATOM 29 C C . VAL A 1 5 ? 19.805 2.254 34.553 1.00 18.28 0 A 2 -ATOM 30 O O . VAL A 1 5 ? 19.519 1.268 35.228 1.00 18.41 0 A 2 -ATOM 31 C CB . VAL A 1 5 ? 21.167 1.565 32.474 1.00 16.72 0 A 2 -ATOM 32 C CG1 . VAL A 1 5 ? 22.414 0.738 32.346 1.00 7.74 0 A 2 -ATOM 33 C CG2 . VAL A 1 5 ? 19.928 0.766 32.273 1.00 7.61 0 A 2 -ATOM 34 N N . VAL A 1 6 ? 19.057 3.348 34.510 1.00 16.51 0 A 2 -ATOM 35 C CA . VAL A 1 6 ? 17.767 3.444 35.164 1.00 13.04 0 A 2 -ATOM 36 C C . VAL A 1 6 ? 16.720 3.435 34.070 1.00 12.99 0 A 2 -ATOM 37 O O . VAL A 1 6 ? 16.679 4.325 33.221 1.00 12.15 0 A 2 -ATOM 38 C CB . VAL A 1 6 ? 17.675 4.746 35.956 1.00 11.40 0 A 2 -ATOM 39 C CG1 . VAL A 1 6 ? 16.357 4.824 36.694 1.00 5.99 0 A 2 -ATOM 40 C CG2 . VAL A 1 6 ? 18.880 4.857 36.903 1.00 5.71 0 A 2 -ATOM 41 N N . TYR A 1 7 ? 15.865 2.426 34.085 1.00 15.71 0 A 2 -ATOM 42 C CA . TYR A 1 7 ? 14.871 2.299 33.041 1.00 16.80 0 A 2 -ATOM 43 C C . TYR A 1 7 ? 13.748 1.391 33.512 1.00 16.48 0 A 2 -ATOM 44 O O . TYR A 1 7 ? 13.759 0.895 34.647 1.00 16.21 0 A 2 -ATOM 45 C CB . TYR A 1 7 ? 15.560 1.673 31.828 1.00 9.91 0 A 2 -ATOM 46 C CG . TYR A 1 7 ? 14.822 1.787 30.526 1.00 15.33 0 A 2 -ATOM 47 C CD1 . TYR A 1 7 ? 14.496 3.026 29.989 1.00 15.73 0 A 2 -ATOM 48 C CD2 . TYR A 1 7 ? 14.530 0.650 29.775 1.00 11.86 0 A 2 -ATOM 49 C CE1 . TYR A 1 7 ? 13.907 3.133 28.738 1.00 15.11 0 A 2 -ATOM 50 C CE2 . TYR A 1 7 ? 13.942 0.745 28.526 1.00 14.63 0 A 2 -ATOM 51 C CZ . TYR A 1 7 ? 13.634 1.993 28.010 1.00 17.31 0 A 2 -ATOM 52 O OH . TYR A 1 7 ? 13.036 2.091 26.769 1.00 11.41 0 A 2 -ATOM 53 N N . PHE A 1 8 ? 12.756 1.234 32.641 1.00 17.60 0 A 2 -ATOM 54 C CA . PHE A 1 8 ? 11.620 0.355 32.897 1.00 22.06 0 A 2 -ATOM 55 C C . PHE A 1 8 ? 12.057 -1.076 32.576 1.00 17.73 0 A 2 -ATOM 56 O O . PHE A 1 8 ? 13.102 -1.292 31.967 1.00 22.80 0 A 2 -ATOM 57 C CB . PHE A 1 8 ? 10.458 0.732 31.979 1.00 22.75 0 A 2 -ATOM 58 C CG . PHE A 1 8 ? 10.072 2.163 32.063 1.00 23.49 0 A 2 -ATOM 59 C CD1 . PHE A 1 8 ? 9.343 2.633 33.145 1.00 23.87 0 A 2 -ATOM 60 C CD2 . PHE A 1 8 ? 10.447 3.049 31.069 1.00 20.62 0 A 2 -ATOM 61 C CE1 . PHE A 1 8 ? 8.997 3.976 33.240 1.00 29.01 0 A 2 -ATOM 62 C CE2 . PHE A 1 8 ? 10.109 4.388 31.151 1.00 26.13 0 A 2 -ATOM 63 C CZ . PHE A 1 8 ? 9.386 4.858 32.238 1.00 29.47 0 A 2 -ATOM 64 N N . PRO A 1 9 ? 11.257 -2.071 32.960 1.00 19.54 0 A 2 -ATOM 65 C CA . PRO A 1 9 ? 11.657 -3.450 32.667 1.00 19.74 0 A 2 -ATOM 66 C C . PRO A 1 9 ? 11.291 -3.885 31.235 1.00 19.18 0 A 2 -ATOM 67 O O . PRO A 1 9 ? 10.435 -4.755 31.034 1.00 18.62 0 A 2 -ATOM 68 C CB . PRO A 1 9 ? 10.907 -4.249 33.727 1.00 20.12 0 A 2 -ATOM 69 C CG . PRO A 1 9 ? 9.598 -3.489 33.817 1.00 21.71 0 A 2 -ATOM 70 C CD . PRO A 1 9 ? 10.072 -2.040 33.845 1.00 25.50 0 A 2 -ATOM 71 N N . VAL A 1 10 ? 11.918 -3.236 30.255 1.00 19.05 0 A 2 -ATOM 72 C CA . VAL A 1 10 ? 11.712 -3.522 28.833 1.00 16.29 0 A 2 -ATOM 73 C C . VAL A 1 10 ? 13.054 -3.251 28.162 1.00 20.35 0 A 2 -ATOM 74 O O . VAL A 1 10 ? 13.895 -2.538 28.719 1.00 21.82 0 A 2 -ATOM 75 C CB . VAL A 1 10 ? 10.654 -2.588 28.173 1.00 16.76 0 A 2 -ATOM 76 C CG1 . VAL A 1 10 ? 9.370 -2.551 28.985 1.00 18.08 0 A 2 -ATOM 77 C CG2 . VAL A 1 10 ? 11.207 -1.184 28.013 1.00 19.81 0 A 2 -ATOM 78 N N . ARG A 1 11 ? 13.269 -3.823 26.985 1.00 14.81 0 A 2 -ATOM 79 C CA . ARG A 1 11 ? 14.521 -3.594 26.278 1.00 12.30 0 A 2 -ATOM 80 C C . ARG A 1 11 ? 14.499 -2.166 25.750 1.00 14.57 0 A 2 -ATOM 81 O O . ARG A 1 11 ? 15.336 -1.327 26.143 1.00 13.86 0 A 2 -ATOM 82 C CB . ARG A 1 11 ? 14.689 -4.607 25.158 1.00 7.23 0 A 2 -ATOM 83 C CG . ARG A 1 11 ? 14.669 -6.025 25.671 1.00 11.02 0 A 2 -ATOM 84 C CD . ARG A 1 11 ? 14.893 -7.054 24.582 1.00 11.90 0 A 2 -ATOM 85 N NE . ARG A 1 11 ? 14.629 -8.383 25.100 1.00 13.33 0 A 2 -ATOM 86 C CZ . ARG A 1 11 ? 14.268 -9.426 24.359 1.00 18.91 0 A 2 -ATOM 87 N NH1 . ARG A 1 11 ? 14.149 -9.299 23.045 1.00 15.76 0 A 2 -ATOM 88 N NH2 . ARG A 1 11 ? 13.998 -10.590 24.935 1.00 20.85 0 A 2 -ATOM 89 N N . GLY A 1 12 ? 13.513 -1.892 24.897 1.00 15.01 0 A 2 -ATOM 90 C CA . GLY A 1 12 ? 13.338 -0.565 24.325 1.00 11.84 0 A 2 -ATOM 91 C C . GLY A 1 12 ? 14.626 0.166 24.001 1.00 10.99 0 A 2 -ATOM 92 O O . GLY A 1 12 ? 15.570 -0.414 23.461 1.00 5.92 0 A 2 -ATOM 93 N N . ARG A 1 13 ? 14.708 1.409 24.456 1.00 14.50 0 A 2 -ATOM 94 C CA . ARG A 1 13 ? 15.866 2.250 24.178 1.00 14.34 0 A 2 -ATOM 95 C C . ARG A 1 13 ? 17.136 1.951 24.963 1.00 14.90 0 A 2 -ATOM 96 O O . ARG A 1 13 ? 18.112 2.702 24.862 1.00 13.09 0 A 2 -ATOM 97 C CB . ARG A 1 13 ? 15.481 3.722 24.315 1.00 8.69 0 A 2 -ATOM 98 C CG . ARG A 1 13 ? 14.538 4.154 23.234 1.00 6.42 0 A 2 -ATOM 99 C CD . ARG A 1 13 ? 14.260 5.633 23.291 1.00 9.52 0 A 2 -ATOM 100 N NE . ARG A 1 13 ? 13.664 6.134 22.049 1.00 11.58 0 A 2 -ATOM 101 C CZ . ARG A 1 13 ? 14.367 6.528 20.992 1.00 7.79 0 A 2 -ATOM 102 N NH1 . ARG A 1 13 ? 15.690 6.489 21.011 1.00 9.98 0 A 2 -ATOM 103 N NH2 . ARG A 1 13 ? 13.751 6.973 19.909 1.00 13.57 0 A 2 -ATOM 104 N N . CYS A 1 14 ? 17.143 0.870 25.733 1.00 8.01 0 A 2 -ATOM 105 C CA . CYS A 1 14 ? 18.338 0.524 26.489 1.00 10.51 0 A 2 -ATOM 106 C C . CYS A 1 14 ? 19.015 -0.720 25.943 1.00 6.86 0 A 2 -ATOM 107 O O . CYS A 1 14 ? 20.191 -0.961 26.211 1.00 11.77 0 A 2 -ATOM 108 C CB . CYS A 1 14 ? 18.003 0.330 27.963 1.00 10.12 0 A 2 -ATOM 109 S SG . CYS A 1 14 ? 17.488 1.834 28.811 1.00 20.17 0 A 2 -ATOM 110 N N . ALA A 1 15 ? 18.295 -1.463 25.112 1.00 12.16 0 A 2 -ATOM 111 C CA . ALA A 1 15 ? 18.793 -2.703 24.537 1.00 10.59 0 A 2 -ATOM 112 C C . ALA A 1 15 ? 20.169 -2.562 23.908 1.00 13.22 0 A 2 -ATOM 113 O O . ALA A 1 15 ? 21.093 -3.296 24.268 1.00 16.19 0 A 2 -ATOM 114 C CB . ALA A 1 15 ? 17.811 -3.231 23.523 1.00 11.84 0 A 2 -ATOM 115 N N . ALA A 1 16 ? 20.320 -1.581 23.025 1.00 10.66 0 A 2 -ATOM 116 C CA . ALA A 1 16 ? 21.593 -1.372 22.349 1.00 10.55 0 A 2 -ATOM 117 C C . ALA A 1 16 ? 22.722 -1.100 23.314 1.00 11.77 0 A 2 -ATOM 118 O O . ALA A 1 16 ? 23.689 -1.866 23.368 1.00 13.30 0 A 2 -ATOM 119 C CB . ALA A 1 16 ? 21.494 -0.251 21.342 1.00 7.90 0 A 2 -ATOM 120 N N . LEU A 1 17 ? 22.563 -0.072 24.148 1.00 13.79 0 A 2 -ATOM 121 C CA . LEU A 1 17 ? 23.630 0.316 25.080 1.00 15.76 0 A 2 -ATOM 122 C C . LEU A 1 17 ? 23.993 -0.821 26.028 1.00 15.63 0 A 2 -ATOM 123 O O . LEU A 1 17 ? 25.119 -0.879 26.528 1.00 14.09 0 A 2 -ATOM 124 C CB . LEU A 1 17 ? 23.254 1.598 25.851 1.00 18.31 0 A 2 -ATOM 125 C CG . LEU A 1 17 ? 22.063 1.607 26.810 1.00 15.06 0 A 2 -ATOM 126 C CD1 . LEU A 1 17 ? 22.551 1.330 28.208 1.00 7.81 0 A 2 -ATOM 127 C CD2 . LEU A 1 17 ? 21.345 2.946 26.780 1.00 11.06 0 A 2 -ATOM 128 N N . ARG A 1 18 ? 23.032 -1.700 26.300 1.00 12.95 0 A 2 -ATOM 129 C CA . ARG A 1 18 ? 23.276 -2.843 27.167 1.00 9.44 0 A 2 -ATOM 130 C C . ARG A 1 18 ? 24.141 -3.819 26.398 1.00 14.72 0 A 2 -ATOM 131 O O . ARG A 1 18 ? 25.110 -4.371 26.946 1.00 19.95 0 A 2 -ATOM 132 C CB . ARG A 1 18 ? 21.970 -3.499 27.566 1.00 3.62 0 A 2 -ATOM 133 C CG . ARG A 1 18 ? 21.210 -2.700 28.566 1.00 4.59 0 A 2 -ATOM 134 C CD . ARG A 1 18 ? 19.842 -3.250 28.714 1.00 6.07 0 A 2 -ATOM 135 N NE . ARG A 1 18 ? 19.182 -2.728 29.899 1.00 9.44 0 A 2 -ATOM 136 C CZ . ARG A 1 18 ? 17.871 -2.551 29.991 1.00 10.49 0 A 2 -ATOM 137 N NH1 . ARG A 1 18 ? 17.081 -2.841 28.965 1.00 11.64 0 A 2 -ATOM 138 N NH2 . ARG A 1 18 ? 17.344 -2.139 31.128 1.00 12.21 0 A 2 -ATOM 139 N N . MET A 1 19 ? 23.828 -4.008 25.121 1.00 15.59 0 A 2 -ATOM 140 C CA . MET A 1 19 ? 24.599 -4.920 24.290 1.00 9.53 0 A 2 -ATOM 141 C C . MET A 1 19 ? 26.031 -4.458 24.284 1.00 13.51 0 A 2 -ATOM 142 O O . MET A 1 19 ? 26.951 -5.257 24.489 1.00 17.53 0 A 2 -ATOM 143 C CB . MET A 1 19 ? 24.050 -4.967 22.856 1.00 6.12 0 A 2 -ATOM 144 C CG . MET A 1 19 ? 22.649 -5.528 22.778 1.00 14.48 0 A 2 -ATOM 145 S SD . MET A 1 19 ? 22.163 -5.925 21.113 1.00 21.44 0 A 2 -ATOM 146 C CE . MET A 1 19 ? 21.999 -4.378 20.482 1.00 21.58 0 A 2 -ATOM 147 N N . LEU A 1 20 ? 26.207 -3.151 24.121 1.00 14.94 0 A 2 -ATOM 148 C CA . LEU A 1 20 ? 27.530 -2.531 24.065 1.00 13.85 0 A 2 -ATOM 149 C C . LEU A 1 20 ? 28.329 -2.849 25.323 1.00 14.37 0 A 2 -ATOM 150 O O . LEU A 1 20 ? 29.418 -3.426 25.246 1.00 19.83 0 A 2 -ATOM 151 C CB . LEU A 1 20 ? 27.410 -1.007 23.866 1.00 6.31 0 A 2 -ATOM 152 C CG . LEU A 1 20 ? 28.674 -0.170 23.637 1.00 7.04 0 A 2 -ATOM 153 C CD1 . LEU A 1 20 ? 28.290 1.127 22.918 1.00 6.73 0 A 2 -ATOM 154 C CD2 . LEU A 1 20 ? 29.392 0.149 24.952 1.00 2.64 0 A 2 -ATOM 155 N N . LEU A 1 21 ? 27.789 -2.460 26.473 1.00 15.44 0 A 2 -ATOM 156 C CA . LEU A 1 21 ? 28.454 -2.679 27.753 1.00 17.44 0 A 2 -ATOM 157 C C . LEU A 1 21 ? 28.870 -4.126 27.918 1.00 19.16 0 A 2 -ATOM 158 O O . LEU A 1 21 ? 30.035 -4.417 28.191 1.00 21.14 0 A 2 -ATOM 159 C CB . LEU A 1 21 ? 27.521 -2.271 28.888 1.00 12.85 0 A 2 -ATOM 160 C CG . LEU A 1 21 ? 27.336 -0.758 28.959 1.00 11.49 0 A 2 -ATOM 161 C CD1 . LEU A 1 21 ? 26.172 -0.386 29.843 1.00 17.36 0 A 2 -ATOM 162 C CD2 . LEU A 1 21 ? 28.618 -0.146 29.481 1.00 12.50 0 A 2 -ATOM 163 N N . ALA A 1 22 ? 27.916 -5.023 27.705 1.00 19.03 0 A 2 -ATOM 164 C CA . ALA A 1 22 ? 28.153 -6.451 27.832 1.00 22.56 0 A 2 -ATOM 165 C C . ALA A 1 22 ? 29.286 -6.885 26.915 1.00 20.63 0 A 2 -ATOM 166 O O . ALA A 1 22 ? 30.286 -7.444 27.368 1.00 23.57 0 A 2 -ATOM 167 C CB . ALA A 1 22 ? 26.883 -7.212 27.498 1.00 20.00 0 A 2 -ATOM 168 N N . ASP A 1 23 ? 29.153 -6.564 25.634 1.00 17.90 0 A 2 -ATOM 169 C CA . ASP A 1 23 ? 30.147 -6.921 24.639 1.00 14.29 0 A 2 -ATOM 170 C C . ASP A 1 23 ? 31.512 -6.335 24.972 1.00 18.12 0 A 2 -ATOM 171 O O . ASP A 1 23 ? 32.538 -6.965 24.705 1.00 19.17 0 A 2 -ATOM 172 C CB . ASP A 1 23 ? 29.733 -6.460 23.241 1.00 20.25 0 A 2 -ATOM 173 C CG . ASP A 1 23 ? 30.432 -7.253 22.120 1.00 24.17 0 A 2 -ATOM 174 O OD1 . ASP A 1 23 ? 30.604 -8.482 22.271 1.00 27.18 0 A 2 -ATOM 175 O OD2 . ASP A 1 23 ? 30.793 -6.657 21.081 1.00 20.09 0 A 2 -ATOM 176 N N . GLN A 1 24 ? 31.532 -5.142 25.569 1.00 23.01 0 A 2 -ATOM 177 C CA . GLN A 1 24 ? 32.801 -4.499 25.913 1.00 20.04 0 A 2 -ATOM 178 C C . GLN A 1 24 ? 33.354 -4.965 27.242 1.00 13.67 0 A 2 -ATOM 179 O O . GLN A 1 24 ? 34.370 -4.455 27.696 1.00 25.20 0 A 2 -ATOM 180 C CB . GLN A 1 24 ? 32.673 -2.975 25.874 1.00 19.61 0 A 2 -ATOM 181 C CG . GLN A 1 24 ? 32.477 -2.409 24.459 1.00 17.00 0 A 2 -ATOM 182 C CD . GLN A 1 24 ? 33.562 -2.853 23.480 1.00 20.65 0 A 2 -ATOM 183 N NE2 . GLN A 1 24 ? 34.825 -2.705 23.876 1.00 15.36 0 A 2 -ATOM 184 O OE1 . GLN A 1 24 ? 33.264 -3.310 22.370 1.00 16.56 0 A 2 -ATOM 185 N N . GLY A 1 25 ? 32.695 -5.950 27.845 1.00 13.69 0 A 2 -ATOM 186 C CA . GLY A 1 25 ? 33.144 -6.489 29.116 1.00 19.04 0 A 2 -ATOM 187 C C . GLY A 1 25 ? 32.960 -5.519 30.266 1.00 23.40 0 A 2 -ATOM 188 O O . GLY A 1 25 ? 33.659 -5.594 31.269 1.00 22.15 0 A 2 -ATOM 189 N N . GLN A 1 26 ? 32.028 -4.591 30.110 1.00 22.37 0 A 2 -ATOM 190 C CA . GLN A 1 26 ? 31.774 -3.604 31.135 1.00 22.39 0 A 2 -ATOM 191 C C . GLN A 1 26 ? 30.735 -4.075 32.140 1.00 23.82 0 A 2 -ATOM 192 O O . GLN A 1 26 ? 29.867 -4.883 31.811 1.00 27.13 0 A 2 -ATOM 193 C CB . GLN A 1 26 ? 31.349 -2.281 30.485 1.00 22.15 0 A 2 -ATOM 194 C CG . GLN A 1 26 ? 32.391 -1.685 29.533 1.00 24.58 0 A 2 -ATOM 195 C CD . GLN A 1 26 ? 33.729 -1.416 30.211 1.00 25.38 0 A 2 -ATOM 196 N NE2 . GLN A 1 26 ? 34.807 -1.526 29.448 1.00 26.76 0 A 2 -ATOM 197 O OE1 . GLN A 1 26 ? 33.796 -1.132 31.406 1.00 28.09 0 A 2 -ATOM 198 N N . SER A 1 27 ? 30.815 -3.567 33.365 1.00 25.17 0 A 2 -ATOM 199 C CA . SER A 1 27 ? 29.876 -3.938 34.419 1.00 25.84 0 A 2 -ATOM 200 C C . SER A 1 27 ? 28.944 -2.774 34.708 1.00 22.71 0 A 2 -ATOM 201 O O . SER A 1 27 ? 29.385 -1.630 34.750 1.00 21.89 0 A 2 -ATOM 202 C CB . SER A 1 27 ? 30.632 -4.293 35.710 1.00 30.59 0 A 2 -ATOM 203 O OG . SER A 1 27 ? 31.296 -5.546 35.618 1.00 38.10 0 A 2 -ATOM 204 N N . TRP A 1 28 ? 27.670 -3.068 34.950 1.00 19.21 0 A 2 -ATOM 205 C CA . TRP A 1 28 ? 26.723 -2.007 35.254 1.00 19.94 0 A 2 -ATOM 206 C C . TRP A 1 28 ? 25.589 -2.456 36.170 1.00 17.58 0 A 2 -ATOM 207 O O . TRP A 1 28 ? 25.263 -3.630 36.252 1.00 22.16 0 A 2 -ATOM 208 C CB . TRP A 1 28 ? 26.166 -1.385 33.967 1.00 14.32 0 A 2 -ATOM 209 C CG . TRP A 1 28 ? 25.181 -2.240 33.250 1.00 16.19 0 A 2 -ATOM 210 C CD1 . TRP A 1 28 ? 23.819 -2.122 33.279 1.00 14.18 0 A 2 -ATOM 211 C CD2 . TRP A 1 28 ? 25.472 -3.303 32.337 1.00 15.51 0 A 2 -ATOM 212 C CE2 . TRP A 1 28 ? 24.240 -3.779 31.838 1.00 13.32 0 A 2 -ATOM 213 C CE3 . TRP A 1 28 ? 26.656 -3.908 31.891 1.00 12.70 0 A 2 -ATOM 214 N NE1 . TRP A 1 28 ? 23.247 -3.034 32.430 1.00 14.87 0 A 2 -ATOM 215 C CZ2 . TRP A 1 28 ? 24.156 -4.816 30.912 1.00 12.28 0 A 2 -ATOM 216 C CZ3 . TRP A 1 28 ? 26.571 -4.942 30.975 1.00 14.88 0 A 2 -ATOM 217 C CH2 . TRP A 1 28 ? 25.328 -5.386 30.496 1.00 14.09 0 A 2 -ATOM 218 N N . LYS A 1 29 ? 24.997 -1.498 36.858 1.00 18.25 0 A 2 -ATOM 219 C CA . LYS A 1 29 ? 23.906 -1.756 37.772 1.00 22.72 0 A 2 -ATOM 220 C C . LYS A 1 29 ? 22.605 -1.383 37.075 1.00 26.40 0 A 2 -ATOM 221 O O . LYS A 1 29 ? 22.528 -0.382 36.346 1.00 23.28 0 A 2 -ATOM 222 C CB . LYS A 1 29 ? 24.107 -0.903 39.032 1.00 30.34 0 A 2 -ATOM 223 C CG . LYS A 1 29 ? 22.853 -0.556 39.818 1.00 43.32 0 A 2 -ATOM 224 C CD . LYS A 1 29 ? 22.448 -1.642 40.793 1.00 54.54 0 A 2 -ATOM 225 C CE . LYS A 1 29 ? 21.198 -1.213 41.544 1.00 60.40 0 A 2 -ATOM 226 N NZ . LYS A 1 29 ? 21.363 0.125 42.204 1.00 63.78 0 A 2 -ATOM 227 N N . GLU A 1 30 ? 21.583 -2.202 37.291 1.00 28.16 0 A 2 -ATOM 228 C CA . GLU A 1 30 ? 20.282 -1.965 36.693 1.00 21.35 0 A 2 -ATOM 229 C C . GLU A 1 30 ? 19.275 -1.483 37.726 1.00 25.95 0 A 2 -ATOM 230 O O . GLU A 1 30 ? 18.927 -2.212 38.659 1.00 27.35 0 A 2 -ATOM 231 C CB . GLU A 1 30 ? 19.752 -3.244 36.042 1.00 21.62 0 A 2 -ATOM 232 C CG . GLU A 1 30 ? 20.437 -3.642 34.743 1.00 22.40 0 A 2 -ATOM 233 C CD . GLU A 1 30 ? 19.924 -2.877 33.530 1.00 19.47 0 A 2 -ATOM 234 O OE1 . GLU A 1 30 ? 19.174 -1.899 33.691 1.00 23.49 0 A 2 -ATOM 235 O OE2 . GLU A 1 30 ? 20.279 -3.261 32.405 1.00 23.95 0 A 2 -ATOM 236 N N . GLU A 1 31 ? 18.828 -0.245 37.577 1.00 27.33 0 A 2 -ATOM 237 C CA . GLU A 1 31 ? 17.820 0.320 38.456 1.00 27.44 0 A 2 -ATOM 238 C C . GLU A 1 31 ? 16.506 0.185 37.705 1.00 26.43 0 A 2 -ATOM 239 O O . GLU A 1 31 ? 16.270 0.888 36.728 1.00 26.83 0 A 2 -ATOM 240 C CB . GLU A 1 31 ? 18.117 1.788 38.749 1.00 34.21 0 A 2 -ATOM 241 C CG . GLU A 1 31 ? 19.150 1.983 39.832 1.00 45.46 0 A 2 -ATOM 242 C CD . GLU A 1 31 ? 18.572 1.790 41.208 1.00 52.18 0 A 2 -ATOM 243 O OE1 . GLU A 1 31 ? 18.210 0.648 41.572 1.00 58.42 0 A 2 -ATOM 244 O OE2 . GLU A 1 31 ? 18.473 2.800 41.931 1.00 63.82 0 A 2 -ATOM 245 N N . VAL A 1 32 ? 15.693 -0.773 38.128 1.00 27.52 0 A 2 -ATOM 246 C CA . VAL A 1 32 ? 14.415 -1.043 37.495 1.00 27.08 0 A 2 -ATOM 247 C C . VAL A 1 32 ? 13.345 -0.124 38.049 1.00 31.93 0 A 2 -ATOM 248 O O . VAL A 1 32 ? 13.180 -0.014 39.263 1.00 33.19 0 A 2 -ATOM 249 C CB . VAL A 1 32 ? 13.991 -2.508 37.718 1.00 26.16 0 A 2 -ATOM 250 C CG1 . VAL A 1 32 ? 12.662 -2.787 37.036 1.00 17.94 0 A 2 -ATOM 251 C CG2 . VAL A 1 32 ? 15.074 -3.442 37.197 1.00 18.82 0 A 2 -ATOM 252 N N . VAL A 1 33 ? 12.622 0.534 37.146 1.00 30.78 0 A 2 -ATOM 253 C CA . VAL A 1 33 ? 11.555 1.453 37.512 1.00 27.34 0 A 2 -ATOM 254 C C . VAL A 1 33 ? 10.234 0.837 37.061 1.00 29.88 0 A 2 -ATOM 255 O O . VAL A 1 33 ? 10.108 0.398 35.921 1.00 30.38 0 A 2 -ATOM 256 C CB . VAL A 1 33 ? 11.772 2.828 36.841 1.00 24.70 0 A 2 -ATOM 257 C CG1 . VAL A 1 33 ? 10.655 3.788 37.182 1.00 19.75 0 A 2 -ATOM 258 C CG2 . VAL A 1 33 ? 13.101 3.407 37.276 1.00 23.49 0 A 2 -ATOM 259 N N . THR A 1 34 ? 9.282 0.723 37.983 1.00 33.84 0 A 2 -ATOM 260 C CA . THR A 1 34 ? 7.981 0.158 37.655 1.00 38.76 0 A 2 -ATOM 261 C C . THR A 1 34 ? 6.976 1.246 37.340 1.00 38.33 0 A 2 -ATOM 262 O O . THR A 1 34 ? 7.147 2.392 37.755 1.00 34.11 0 A 2 -ATOM 263 C CB . THR A 1 34 ? 7.418 -0.662 38.809 1.00 40.00 0 A 2 -ATOM 264 C CG2 . THR A 1 34 ? 8.190 -1.950 38.966 1.00 43.99 0 A 2 -ATOM 265 O OG1 . THR A 1 34 ? 7.485 0.105 40.017 1.00 47.23 0 A 2 -ATOM 266 N N . VAL A 1 35 ? 5.882 0.860 36.689 1.00 44.47 0 A 2 -ATOM 267 C CA . VAL A 1 35 ? 4.839 1.799 36.310 1.00 51.24 0 A 2 -ATOM 268 C C . VAL A 1 35 ? 4.327 2.565 37.525 1.00 52.85 0 A 2 -ATOM 269 O O . VAL A 1 35 ? 4.057 3.762 37.440 1.00 49.57 0 A 2 -ATOM 270 C CB . VAL A 1 35 ? 3.671 1.089 35.567 1.00 54.76 0 A 2 -ATOM 271 C CG1 . VAL A 1 35 ? 2.826 0.257 36.530 1.00 56.65 0 A 2 -ATOM 272 C CG2 . VAL A 1 35 ? 2.827 2.099 34.803 1.00 59.30 0 A 2 -ATOM 273 N N . GLU A 1 36 ? 4.263 1.884 38.666 1.00 55.74 0 A 2 -ATOM 274 C CA . GLU A 1 36 ? 3.797 2.504 39.900 1.00 59.48 0 A 2 -ATOM 275 C C . GLU A 1 36 ? 4.764 3.596 40.345 1.00 56.13 0 A 2 -ATOM 276 O O . GLU A 1 36 ? 4.356 4.732 40.606 1.00 56.46 0 A 2 -ATOM 277 C CB . GLU A 1 36 ? 3.649 1.464 41.016 1.00 67.77 0 A 2 -ATOM 278 C CG . GLU A 1 36 ? 2.699 0.313 40.690 1.00 76.47 0 A 2 -ATOM 279 C CD . GLU A 1 36 ? 3.429 -0.968 40.323 1.00 82.46 0 A 2 -ATOM 280 O OE1 . GLU A 1 36 ? 4.230 -1.458 41.153 1.00 85.41 0 A 2 -ATOM 281 O OE2 . GLU A 1 36 ? 3.194 -1.498 39.212 1.00 85.68 0 A 2 -ATOM 282 N N . THR A 1 37 ? 6.048 3.250 40.390 1.00 51.46 0 A 2 -ATOM 283 C CA . THR A 1 37 ? 7.093 4.186 40.793 1.00 45.60 0 A 2 -ATOM 284 C C . THR A 1 37 ? 7.118 5.409 39.878 1.00 44.79 0 A 2 -ATOM 285 O O . THR A 1 37 ? 7.339 6.538 40.329 1.00 45.62 0 A 2 -ATOM 286 C CB . THR A 1 37 ? 8.465 3.505 40.758 1.00 44.50 0 A 2 -ATOM 287 C CG2 . THR A 1 37 ? 9.534 4.403 41.367 1.00 37.84 0 A 2 -ATOM 288 O OG1 . THR A 1 37 ? 8.397 2.276 41.489 1.00 41.82 0 A 2 -ATOM 289 N N . TRP A 1 38 ? 6.853 5.189 38.593 1.00 40.28 0 A 2 -ATOM 290 C CA . TRP A 1 38 ? 6.855 6.275 37.631 1.00 40.08 0 A 2 -ATOM 291 C C . TRP A 1 38 ? 5.622 7.151 37.807 1.00 47.98 0 A 2 -ATOM 292 O O . TRP A 1 38 ? 5.727 8.379 37.875 1.00 49.08 0 A 2 -ATOM 293 C CB . TRP A 1 38 ? 6.886 5.728 36.208 1.00 31.25 0 A 2 -ATOM 294 C CG . TRP A 1 38 ? 7.145 6.781 35.165 1.00 30.98 0 A 2 -ATOM 295 C CD1 . TRP A 1 38 ? 6.293 7.190 34.169 1.00 30.41 0 A 2 -ATOM 296 C CD2 . TRP A 1 38 ? 8.358 7.527 34.985 1.00 26.47 0 A 2 -ATOM 297 C CE2 . TRP A 1 38 ? 8.167 8.362 33.860 1.00 26.96 0 A 2 -ATOM 298 C CE3 . TRP A 1 38 ? 9.584 7.564 35.664 1.00 22.72 0 A 2 -ATOM 299 N NE1 . TRP A 1 38 ? 6.904 8.136 33.385 1.00 28.08 0 A 2 -ATOM 300 C CZ2 . TRP A 1 38 ? 9.168 9.229 33.397 1.00 20.94 0 A 2 -ATOM 301 C CZ3 . TRP A 1 38 ? 10.577 8.424 35.199 1.00 20.39 0 A 2 -ATOM 302 C CH2 . TRP A 1 38 ? 10.360 9.245 34.075 1.00 19.14 0 A 2 -ATOM 303 N N . GLN A 1 39 ? 4.458 6.519 37.923 1.00 52.93 0 A 2 -ATOM 304 C CA . GLN A 1 39 ? 3.213 7.255 38.069 1.00 54.31 0 A 2 -ATOM 305 C C . GLN A 1 39 ? 3.129 8.022 39.378 1.00 55.37 0 A 2 -ATOM 306 O O . GLN A 1 39 ? 2.162 8.734 39.628 1.00 58.81 0 A 2 -ATOM 307 C CB . GLN A 1 39 ? 2.015 6.330 37.863 1.00 53.82 0 A 2 -ATOM 308 C CG . GLN A 1 39 ? 1.892 5.834 36.423 1.00 57.70 0 A 2 -ATOM 309 C CD . GLN A 1 39 ? 0.796 4.801 36.241 1.00 62.90 0 A 2 -ATOM 310 N NE2 . GLN A 1 39 ? 0.366 4.611 34.998 1.00 61.57 0 A 2 -ATOM 311 O OE1 . GLN A 1 39 ? 0.350 4.174 37.202 1.00 64.12 0 A 2 -ATOM 312 N N . GLU A 1 40 ? 4.154 7.885 40.211 1.00 55.83 0 A 2 -ATOM 313 C CA . GLU A 1 40 ? 4.201 8.606 41.469 1.00 56.23 0 A 2 -ATOM 314 C C . GLU A 1 40 ? 4.674 10.037 41.189 1.00 55.90 0 A 2 -ATOM 315 O O . GLU A 1 40 ? 4.480 10.943 42.000 1.00 57.28 0 A 2 -ATOM 316 C CB . GLU A 1 40 ? 5.134 7.896 42.442 1.00 54.56 0 A 2 -ATOM 317 C CG . GLU A 1 40 ? 5.069 8.429 43.844 1.00 56.26 0 A 2 -ATOM 318 C CD . GLU A 1 40 ? 6.253 9.297 44.183 1.00 59.52 0 A 2 -ATOM 319 O OE1 . GLU A 1 40 ? 7.318 8.730 44.506 1.00 63.51 0 A 2 -ATOM 320 O OE2 . GLU A 1 40 ? 6.121 10.539 44.140 1.00 64.99 0 A 2 -ATOM 321 N N . GLY A 1 41 ? 5.332 10.216 40.045 1.00 53.72 0 A 2 -ATOM 322 C CA . GLY A 1 41 ? 5.802 11.526 39.628 1.00 50.20 0 A 2 -ATOM 323 C C . GLY A 1 41 ? 7.149 12.031 40.108 1.00 47.39 0 A 2 -ATOM 324 O O . GLY A 1 41 ? 7.797 12.822 39.414 1.00 47.83 0 A 2 -ATOM 325 N N . SER A 1 42 ? 7.598 11.563 41.264 1.00 47.38 0 A 2 -ATOM 326 C CA . SER A 1 42 ? 8.871 11.999 41.833 1.00 48.92 0 A 2 -ATOM 327 C C . SER A 1 42 ? 10.085 11.868 40.913 1.00 44.77 0 A 2 -ATOM 328 O O . SER A 1 42 ? 10.810 12.837 40.689 1.00 45.99 0 A 2 -ATOM 329 C CB . SER A 1 42 ? 9.139 11.241 43.126 1.00 52.32 0 A 2 -ATOM 330 O OG . SER A 1 42 ? 9.008 9.848 42.902 1.00 58.12 0 A 2 -ATOM 331 N N . LEU A 1 43 ? 10.319 10.663 40.409 1.00 42.84 0 A 2 -ATOM 332 C CA . LEU A 1 43 ? 11.459 10.427 39.532 1.00 39.02 0 A 2 -ATOM 333 C C . LEU A 1 43 ? 11.281 11.157 38.208 1.00 32.41 0 A 2 -ATOM 334 O O . LEU A 1 43 ? 12.217 11.764 37.705 1.00 32.28 0 A 2 -ATOM 335 C CB . LEU A 1 43 ? 11.660 8.922 39.308 1.00 40.03 0 A 2 -ATOM 336 C CG . LEU A 1 43 ? 13.045 8.398 38.878 1.00 41.34 0 A 2 -ATOM 337 C CD1 . LEU A 1 43 ? 13.219 8.461 37.382 1.00 42.89 0 A 2 -ATOM 338 C CD2 . LEU A 1 43 ? 14.155 9.146 39.597 1.00 40.07 0 A 2 -ATOM 339 N N . LYS A 1 44 ? 10.059 11.154 37.685 1.00 27.63 0 A 2 -ATOM 340 C CA . LYS A 1 44 ? 9.766 11.818 36.425 1.00 31.13 0 A 2 -ATOM 341 C C . LYS A 1 44 ? 10.171 13.296 36.477 1.00 32.68 0 A 2 -ATOM 342 O O . LYS A 1 44 ? 10.774 13.808 35.542 1.00 26.79 0 A 2 -ATOM 343 C CB . LYS A 1 44 ? 8.275 11.715 36.088 1.00 29.67 0 A 2 -ATOM 344 C CG . LYS A 1 44 ? 7.945 12.209 34.676 1.00 31.53 0 A 2 -ATOM 345 C CD . LYS A 1 44 ? 6.496 11.997 34.290 1.00 27.37 0 A 2 -ATOM 346 C CE . LYS A 1 44 ? 6.362 11.814 32.785 1.00 34.09 0 A 2 -ATOM 347 N NZ . LYS A 1 44 ? 6.949 12.901 31.966 1.00 23.30 0 A 2 -ATOM 348 N N . ALA A 1 45 ? 9.843 13.962 37.582 1.00 35.90 0 A 2 -ATOM 349 C CA . ALA A 1 45 ? 10.166 15.374 37.754 1.00 34.20 0 A 2 -ATOM 350 C C . ALA A 1 45 ? 11.662 15.633 37.819 1.00 31.91 0 A 2 -ATOM 351 O O . ALA A 1 45 ? 12.127 16.678 37.370 1.00 35.00 0 A 2 -ATOM 352 C CB . ALA A 1 45 ? 9.484 15.923 39.003 1.00 39.21 0 A 2 -ATOM 353 N N . SER A 1 46 ? 12.410 14.697 38.394 1.00 30.04 0 A 2 -ATOM 354 C CA . SER A 1 46 ? 13.853 14.864 38.514 1.00 26.69 0 A 2 -ATOM 355 C C . SER A 1 46 ? 14.596 14.600 37.198 1.00 21.42 0 A 2 -ATOM 356 O O . SER A 1 46 ? 15.795 14.843 37.102 1.00 19.15 0 A 2 -ATOM 357 C CB . SER A 1 46 ? 14.396 13.961 39.625 1.00 24.78 0 A 2 -ATOM 358 O OG . SER A 1 46 ? 14.048 12.617 39.385 1.00 30.49 0 A 2 -ATOM 359 N N . CYS A 1 47 ? 13.897 14.060 36.209 1.00 17.89 0 A 2 -ATOM 360 C CA . CYS A 1 47 ? 14.497 13.773 34.914 1.00 18.12 0 A 2 -ATOM 361 C C . CYS A 1 47 ? 14.474 15.020 34.037 1.00 24.60 0 A 2 -ATOM 362 O O . CYS A 1 47 ? 13.420 15.634 33.847 1.00 18.53 0 A 2 -ATOM 363 C CB . CYS A 1 47 ? 13.742 12.645 34.213 1.00 22.03 0 A 2 -ATOM 364 S SG . CYS A 1 47 ? 13.943 11.038 34.998 1.00 18.70 0 A 2 -ATOM 365 N N . LEU A 1 48 ? 15.615 15.337 33.428 1.00 24.40 0 A 2 -ATOM 366 C CA . LEU A 1 48 ? 15.758 16.524 32.579 1.00 23.56 0 A 2 -ATOM 367 C C . LEU A 1 48 ? 14.618 16.765 31.587 1.00 27.30 0 A 2 -ATOM 368 O O . LEU A 1 48 ? 14.126 17.880 31.457 1.00 22.64 0 A 2 -ATOM 369 C CB . LEU A 1 48 ? 17.073 16.486 31.825 1.00 21.53 0 A 2 -ATOM 370 C CG . LEU A 1 48 ? 17.375 17.759 31.040 1.00 22.09 0 A 2 -ATOM 371 C CD1 . LEU A 1 48 ? 17.524 18.959 31.991 1.00 17.28 0 A 2 -ATOM 372 C CD2 . LEU A 1 48 ? 18.643 17.532 30.242 1.00 20.84 0 A 2 -ATOM 373 N N . TYR A 1 49 ? 14.259 15.718 30.846 1.00 27.07 0 A 2 -ATOM 374 C CA . TYR A 1 49 ? 13.172 15.781 29.875 1.00 19.61 0 A 2 -ATOM 375 C C . TYR A 1 49 ? 11.978 14.917 30.350 1.00 22.54 0 A 2 -ATOM 376 O O . TYR A 1 49 ? 11.180 14.455 29.536 1.00 25.71 0 A 2 -ATOM 377 C CB . TYR A 1 49 ? 13.698 15.325 28.503 1.00 11.29 0 A 2 -ATOM 378 C CG . TYR A 1 49 ? 14.892 16.127 27.943 1.00 14.21 0 A 2 -ATOM 379 C CD1 . TYR A 1 49 ? 14.742 17.456 27.489 1.00 13.87 0 A 2 -ATOM 380 C CD2 . TYR A 1 49 ? 16.175 15.565 27.860 1.00 8.76 0 A 2 -ATOM 381 C CE1 . TYR A 1 49 ? 15.839 18.182 26.975 1.00 16.10 0 A 2 -ATOM 382 C CE2 . TYR A 1 49 ? 17.272 16.288 27.346 1.00 12.58 0 A 2 -ATOM 383 C CZ . TYR A 1 49 ? 17.087 17.593 26.925 1.00 17.84 0 A 2 -ATOM 384 O OH . TYR A 1 49 ? 18.139 18.375 26.541 1.00 23.88 0 A 2 -ATOM 385 N N . GLY A 1 50 ? 11.859 14.722 31.665 1.00 23.21 0 A 2 -ATOM 386 C CA . GLY A 1 50 ? 10.779 13.927 32.246 1.00 24.88 0 A 2 -ATOM 387 C C . GLY A 1 50 ? 10.659 12.509 31.695 1.00 25.30 0 A 2 -ATOM 388 O O . GLY A 1 50 ? 9.566 11.925 31.656 1.00 24.60 0 A 2 -ATOM 389 N N . GLN A 1 51 ? 11.782 11.949 31.255 1.00 23.03 0 A 2 -ATOM 390 C CA . GLN A 1 51 ? 11.777 10.627 30.675 1.00 20.94 0 A 2 -ATOM 391 C C . GLN A 1 51 ? 13.015 9.789 30.980 1.00 20.93 0 A 2 -ATOM 392 O O . GLN A 1 51 ? 14.041 10.310 31.406 1.00 19.15 0 A 2 -ATOM 393 C CB . GLN A 1 51 ? 11.629 10.729 29.159 1.00 17.49 0 A 2 -ATOM 394 C CG . GLN A 1 51 ? 10.279 11.243 28.702 1.00 22.63 0 A 2 -ATOM 395 C CD . GLN A 1 51 ? 10.076 11.088 27.211 1.00 22.92 0 A 2 -ATOM 396 N NE2 . GLN A 1 51 ? 8.896 10.638 26.820 1.00 26.01 0 A 2 -ATOM 397 O OE1 . GLN A 1 51 ? 10.973 11.380 26.418 1.00 30.18 0 A 2 -ATOM 398 N N . LEU A 1 52 ? 12.883 8.479 30.778 1.00 24.66 0 A 2 -ATOM 399 C CA . LEU A 1 52 ? 13.972 7.519 30.960 1.00 14.22 0 A 2 -ATOM 400 C C . LEU A 1 52 ? 14.287 7.054 29.549 1.00 18.03 0 A 2 -ATOM 401 O O . LEU A 1 52 ? 13.511 7.308 28.618 1.00 17.87 0 A 2 -ATOM 402 C CB . LEU A 1 52 ? 13.508 6.338 31.808 1.00 15.86 0 A 2 -ATOM 403 C CG . LEU A 1 52 ? 13.036 6.600 33.232 1.00 18.44 0 A 2 -ATOM 404 C CD1 . LEU A 1 52 ? 12.615 5.289 33.873 1.00 16.72 0 A 2 -ATOM 405 C CD2 . LEU A 1 52 ? 14.142 7.262 34.045 1.00 16.45 0 A 2 -ATOM 406 N N . PRO A 1 53 ? 15.430 6.364 29.328 1.00 18.70 0 A 2 -ATOM 407 C CA . PRO A 1 53 ? 16.456 5.990 30.314 1.00 19.18 0 A 2 -ATOM 408 C C . PRO A 1 53 ? 17.253 7.137 30.931 1.00 22.97 0 A 2 -ATOM 409 O O . PRO A 1 53 ? 17.399 8.206 30.334 1.00 21.82 0 A 2 -ATOM 410 C CB . PRO A 1 53 ? 17.386 5.095 29.478 1.00 15.73 0 A 2 -ATOM 411 C CG . PRO A 1 53 ? 17.299 5.712 28.123 1.00 12.31 0 A 2 -ATOM 412 C CD . PRO A 1 53 ? 15.808 5.936 27.987 1.00 17.51 0 A 2 -ATOM 413 N N . LYS A 1 54 ? 17.722 6.891 32.154 1.00 16.55 0 A 2 -ATOM 414 C CA . LYS A 1 54 ? 18.556 7.808 32.887 1.00 13.11 0 A 2 -ATOM 415 C C . LYS A 1 54 ? 19.829 6.968 33.039 1.00 12.48 0 A 2 -ATOM 416 O O . LYS A 1 54 ? 19.751 5.747 33.163 1.00 15.43 0 A 2 -ATOM 417 C CB . LYS A 1 54 ? 17.963 8.132 34.263 1.00 8.45 0 A 2 -ATOM 418 C CG . LYS A 1 54 ? 18.916 8.835 35.197 1.00 16.35 0 A 2 -ATOM 419 C CD . LYS A 1 54 ? 18.284 9.044 36.554 1.00 21.38 0 A 2 -ATOM 420 C CE . LYS A 1 54 ? 19.335 9.384 37.610 1.00 29.03 0 A 2 -ATOM 421 N NZ . LYS A 1 54 ? 18.725 9.648 38.950 1.00 32.77 0 A 2 -ATOM 422 N N . PHE A 1 55 ? 20.996 7.601 32.996 1.00 14.72 0 A 2 -ATOM 423 C CA . PHE A 1 55 ? 22.259 6.887 33.086 1.00 15.51 0 A 2 -ATOM 424 C C . PHE A 1 55 ? 23.215 7.581 34.044 1.00 16.16 0 A 2 -ATOM 425 O O . PHE A 1 55 ? 23.228 8.801 34.151 1.00 13.32 0 A 2 -ATOM 426 C CB . PHE A 1 55 ? 22.903 6.845 31.703 1.00 12.80 0 A 2 -ATOM 427 C CG . PHE A 1 55 ? 24.037 5.867 31.598 1.00 15.63 0 A 2 -ATOM 428 C CD1 . PHE A 1 55 ? 23.781 4.504 31.508 1.00 13.51 0 A 2 -ATOM 429 C CD2 . PHE A 1 55 ? 25.355 6.298 31.555 1.00 15.95 0 A 2 -ATOM 430 C CE1 . PHE A 1 55 ? 24.817 3.587 31.377 1.00 14.04 0 A 2 -ATOM 431 C CE2 . PHE A 1 55 ? 26.395 5.389 31.428 1.00 16.14 0 A 2 -ATOM 432 C CZ . PHE A 1 55 ? 26.124 4.031 31.332 1.00 14.88 0 A 2 -ATOM 433 N N . GLN A 1 56 ? 24.015 6.795 34.744 1.00 23.80 0 A 2 -ATOM 434 C CA . GLN A 1 56 ? 24.983 7.373 35.656 1.00 24.68 0 A 2 -ATOM 435 C C . GLN A 1 56 ? 26.351 6.751 35.420 1.00 22.65 0 A 2 -ATOM 436 O O . GLN A 1 56 ? 26.481 5.542 35.257 1.00 24.31 0 A 2 -ATOM 437 C CB . GLN A 1 56 ? 24.542 7.182 37.106 1.00 26.69 0 A 2 -ATOM 438 C CG . GLN A 1 56 ? 23.253 7.920 37.456 1.00 26.64 0 A 2 -ATOM 439 C CD . GLN A 1 56 ? 22.752 7.617 38.862 1.00 34.87 0 A 2 -ATOM 440 N NE2 . GLN A 1 56 ? 22.201 8.626 39.529 1.00 40.91 0 A 2 -ATOM 441 O OE1 . GLN A 1 56 ? 22.838 6.487 39.332 1.00 39.45 0 A 2 -ATOM 442 N N . ASP A 1 57 ? 27.351 7.609 35.298 1.00 19.91 0 A 2 -ATOM 443 C CA . ASP A 1 57 ? 28.727 7.191 35.115 1.00 20.55 0 A 2 -ATOM 444 C C . ASP A 1 57 ? 29.467 8.025 36.154 1.00 22.53 0 A 2 -ATOM 445 O O . ASP A 1 57 ? 29.877 9.155 35.888 1.00 27.33 0 A 2 -ATOM 446 C CB . ASP A 1 57 ? 29.226 7.542 33.715 1.00 21.74 0 A 2 -ATOM 447 C CG . ASP A 1 57 ? 30.641 7.041 33.447 1.00 27.52 0 A 2 -ATOM 448 O OD1 . ASP A 1 57 ? 31.260 6.427 34.350 1.00 34.81 0 A 2 -ATOM 449 O OD2 . ASP A 1 57 ? 31.141 7.258 32.323 1.00 24.61 0 A 2 -ATOM 450 N N . GLY A 1 58 ? 29.625 7.473 37.348 1.00 23.28 0 A 2 -ATOM 451 C CA . GLY A 1 58 ? 30.275 8.226 38.399 1.00 23.67 0 A 2 -ATOM 452 C C . GLY A 1 58 ? 29.215 9.242 38.765 1.00 23.13 0 A 2 -ATOM 453 O O . GLY A 1 58 ? 28.034 8.890 38.802 1.00 22.57 0 A 2 -ATOM 454 N N . ASP A 1 59 ? 29.594 10.506 38.925 1.00 24.58 0 A 2 -ATOM 455 C CA . ASP A 1 59 ? 28.629 11.547 39.277 1.00 24.16 0 A 2 -ATOM 456 C C . ASP A 1 59 ? 28.039 12.230 38.042 1.00 24.90 0 A 2 -ATOM 457 O O . ASP A 1 59 ? 27.347 13.241 38.150 1.00 29.87 0 A 2 -ATOM 458 C CB . ASP A 1 59 ? 29.262 12.582 40.225 1.00 22.42 0 A 2 -ATOM 459 C CG . ASP A 1 59 ? 30.408 13.360 39.591 1.00 24.20 0 A 2 -ATOM 460 O OD1 . ASP A 1 59 ? 31.024 12.878 38.618 1.00 27.29 0 A 2 -ATOM 461 O OD2 . ASP A 1 59 ? 30.705 14.465 40.079 1.00 29.42 0 A 2 -ATOM 462 N N . LEU A 1 60 ? 28.325 11.678 36.871 1.00 21.82 0 A 2 -ATOM 463 C CA . LEU A 1 60 ? 27.817 12.231 35.627 1.00 19.28 0 A 2 -ATOM 464 C C . LEU A 1 60 ? 26.468 11.579 35.361 1.00 19.01 0 A 2 -ATOM 465 O O . LEU A 1 60 ? 26.388 10.367 35.185 1.00 14.88 0 A 2 -ATOM 466 C CB . LEU A 1 60 ? 28.771 11.903 34.476 1.00 20.17 0 A 2 -ATOM 467 C CG . LEU A 1 60 ? 28.858 12.772 33.210 1.00 21.45 0 A 2 -ATOM 468 C CD1 . LEU A 1 60 ? 29.000 11.863 32.022 1.00 16.79 0 A 2 -ATOM 469 C CD2 . LEU A 1 60 ? 27.650 13.667 33.029 1.00 16.92 0 A 2 -ATOM 470 N N . THR A 1 61 ? 25.406 12.373 35.397 1.00 21.90 0 A 2 -ATOM 471 C CA . THR A 1 61 ? 24.069 11.866 35.123 1.00 20.64 0 A 2 -ATOM 472 C C . THR A 1 61 ? 23.702 12.264 33.707 1.00 20.73 0 A 2 -ATOM 473 O O . THR A 1 61 ? 23.856 13.428 33.337 1.00 23.04 0 A 2 -ATOM 474 C CB . THR A 1 61 ? 23.024 12.451 36.090 1.00 18.37 0 A 2 -ATOM 475 C CG2 . THR A 1 61 ? 21.648 11.875 35.788 1.00 13.76 0 A 2 -ATOM 476 O OG1 . THR A 1 61 ? 23.379 12.122 37.434 1.00 11.79 0 A 2 -ATOM 477 N N . LEU A 1 62 ? 23.263 11.298 32.906 1.00 19.85 0 A 2 -ATOM 478 C CA . LEU A 1 62 ? 22.881 11.549 31.520 1.00 15.59 0 A 2 -ATOM 479 C C . LEU A 1 62 ? 21.480 11.095 31.216 1.00 14.82 0 A 2 -ATOM 480 O O . LEU A 1 62 ? 20.937 10.222 31.873 1.00 18.00 0 A 2 -ATOM 481 C CB . LEU A 1 62 ? 23.830 10.828 30.551 1.00 8.32 0 A 2 -ATOM 482 C CG . LEU A 1 62 ? 25.251 11.372 30.468 1.00 13.88 0 A 2 -ATOM 483 C CD1 . LEU A 1 62 ? 26.061 10.434 29.612 1.00 11.63 0 A 2 -ATOM 484 C CD2 . LEU A 1 62 ? 25.250 12.795 29.893 1.00 11.52 0 A 2 -ATOM 485 N N . TYR A 1 63 ? 20.905 11.694 30.189 1.00 19.55 0 A 2 -ATOM 486 C CA . TYR A 1 63 ? 19.578 11.327 29.723 1.00 16.45 0 A 2 -ATOM 487 C C . TYR A 1 63 ? 19.713 11.221 28.194 1.00 15.51 0 A 2 -ATOM 488 O O . TYR A 1 63 ? 20.742 11.613 27.650 1.00 11.02 0 A 2 -ATOM 489 C CB . TYR A 1 63 ? 18.533 12.369 30.167 1.00 14.93 0 A 2 -ATOM 490 C CG . TYR A 1 63 ? 18.391 12.534 31.697 1.00 17.41 0 A 2 -ATOM 491 C CD1 . TYR A 1 63 ? 17.480 11.763 32.423 1.00 15.85 0 A 2 -ATOM 492 C CD2 . TYR A 1 63 ? 19.164 13.473 32.416 1.00 15.04 0 A 2 -ATOM 493 C CE1 . TYR A 1 63 ? 17.336 11.908 33.816 1.00 15.95 0 A 2 -ATOM 494 C CE2 . TYR A 1 63 ? 19.023 13.624 33.809 1.00 15.90 0 A 2 -ATOM 495 C CZ . TYR A 1 63 ? 18.120 12.835 34.494 1.00 16.84 0 A 2 -ATOM 496 O OH . TYR A 1 63 ? 18.092 12.969 35.861 1.00 18.82 0 A 2 -ATOM 497 N N . GLN A 1 64 ? 18.730 10.617 27.536 1.00 17.75 0 A 2 -ATOM 498 C CA . GLN A 1 64 ? 18.734 10.422 26.083 1.00 14.61 0 A 2 -ATOM 499 C C . GLN A 1 64 ? 19.620 9.231 25.692 1.00 14.20 0 A 2 -ATOM 500 O O . GLN A 1 64 ? 20.843 9.296 25.771 1.00 17.72 0 A 2 -ATOM 501 C CB . GLN A 1 64 ? 19.158 11.706 25.362 1.00 19.47 0 A 2 -ATOM 502 C CG . GLN A 1 64 ? 18.217 12.876 25.622 1.00 19.81 0 A 2 -ATOM 503 C CD . GLN A 1 64 ? 16.972 12.805 24.777 1.00 19.26 0 A 2 -ATOM 504 N NE2 . GLN A 1 64 ? 16.094 13.783 24.929 1.00 18.98 0 A 2 -ATOM 505 O OE1 . GLN A 1 64 ? 16.815 11.900 23.979 1.00 26.64 0 A 2 -ATOM 506 N N . SER A 1 65 ? 18.990 8.156 25.233 1.00 14.83 0 A 2 -ATOM 507 C CA . SER A 1 65 ? 19.688 6.933 24.867 1.00 12.57 0 A 2 -ATOM 508 C C . SER A 1 65 ? 20.882 7.142 23.954 1.00 12.63 0 A 2 -ATOM 509 O O . SER A 1 65 ? 21.937 6.548 24.171 1.00 18.50 0 A 2 -ATOM 510 C CB . SER A 1 65 ? 18.712 5.941 24.233 1.00 15.98 0 A 2 -ATOM 511 O OG . SER A 1 65 ? 18.013 6.524 23.134 1.00 12.18 0 A 2 -ATOM 512 N N . ASN A 1 66 ? 20.737 7.996 22.948 1.00 11.55 0 A 2 -ATOM 513 C CA . ASN A 1 66 ? 21.837 8.245 22.015 1.00 8.97 0 A 2 -ATOM 514 C C . ASN A 1 66 ? 22.973 9.010 22.654 1.00 9.97 0 A 2 -ATOM 515 O O . ASN A 1 66 ? 24.112 8.939 22.187 1.00 11.07 0 A 2 -ATOM 516 C CB . ASN A 1 66 ? 21.359 8.950 20.750 1.00 6.70 0 A 2 -ATOM 517 C CG . ASN A 1 66 ? 20.365 8.109 19.955 1.00 8.05 0 A 2 -ATOM 518 N ND2 . ASN A 1 66 ? 20.816 6.975 19.449 1.00 12.10 0 A 2 -ATOM 519 O OD1 . ASN A 1 66 ? 19.205 8.475 19.813 1.00 11.29 0 A 2 -ATOM 520 N N . THR A 1 67 ? 22.676 9.763 23.707 1.00 9.80 0 A 2 -ATOM 521 C CA . THR A 1 67 ? 23.716 10.496 24.422 1.00 13.59 0 A 2 -ATOM 522 C C . THR A 1 67 ? 24.504 9.440 25.190 1.00 9.73 0 A 2 -ATOM 523 O O . THR A 1 67 ? 25.724 9.506 25.285 1.00 11.77 0 A 2 -ATOM 524 C CB . THR A 1 67 ? 23.106 11.517 25.408 1.00 11.02 0 A 2 -ATOM 525 C CG2 . THR A 1 67 ? 24.162 12.122 26.312 1.00 9.87 0 A 2 -ATOM 526 O OG1 . THR A 1 67 ? 22.481 12.558 24.661 1.00 13.78 0 A 2 -ATOM 527 N N . ILE A 1 68 ? 23.803 8.450 25.722 1.00 9.52 0 A 2 -ATOM 528 C CA . ILE A 1 68 ? 24.471 7.391 26.445 1.00 11.43 0 A 2 -ATOM 529 C C . ILE A 1 68 ? 25.345 6.620 25.463 1.00 11.36 0 A 2 -ATOM 530 O O . ILE A 1 68 ? 26.542 6.422 25.703 1.00 9.50 0 A 2 -ATOM 531 C CB . ILE A 1 68 ? 23.462 6.467 27.111 1.00 10.14 0 A 2 -ATOM 532 C CG1 . ILE A 1 68 ? 22.589 7.285 28.052 1.00 5.09 0 A 2 -ATOM 533 C CG2 . ILE A 1 68 ? 24.191 5.366 27.876 1.00 7.03 0 A 2 -ATOM 534 C CD1 . ILE A 1 68 ? 21.330 6.591 28.472 1.00 10.92 0 A 2 -ATOM 535 N N . LEU A 1 69 ? 24.756 6.250 24.330 1.00 11.16 0 A 2 -ATOM 536 C CA . LEU A 1 69 ? 25.473 5.532 23.292 1.00 7.77 0 A 2 -ATOM 537 C C . LEU A 1 69 ? 26.722 6.290 22.865 1.00 8.23 0 A 2 -ATOM 538 O O . LEU A 1 69 ? 27.821 5.748 22.869 1.00 11.43 0 A 2 -ATOM 539 C CB . LEU A 1 69 ? 24.566 5.314 22.091 1.00 8.98 0 A 2 -ATOM 540 C CG . LEU A 1 69 ? 23.581 4.166 22.227 1.00 9.64 0 A 2 -ATOM 541 C CD1 . LEU A 1 69 ? 22.628 4.164 21.030 1.00 9.27 0 A 2 -ATOM 542 C CD2 . LEU A 1 69 ? 24.362 2.855 22.325 1.00 10.12 0 A 2 -ATOM 543 N N . ARG A 1 70 ? 26.565 7.565 22.538 1.00 13.36 0 A 2 -ATOM 544 C CA . ARG A 1 70 ? 27.713 8.356 22.119 1.00 10.47 0 A 2 -ATOM 545 C C . ARG A 1 70 ? 28.731 8.457 23.230 1.00 13.22 0 A 2 -ATOM 546 O O . ARG A 1 70 ? 29.929 8.293 22.994 1.00 13.44 0 A 2 -ATOM 547 C CB . ARG A 1 70 ? 27.299 9.748 21.649 1.00 14.96 0 A 2 -ATOM 548 C CG . ARG A 1 70 ? 26.637 9.727 20.290 1.00 13.07 0 A 2 -ATOM 549 C CD . ARG A 1 70 ? 26.453 11.109 19.693 1.00 10.66 0 A 2 -ATOM 550 N NE . ARG A 1 70 ? 26.169 10.961 18.277 1.00 10.95 0 A 2 -ATOM 551 C CZ . ARG A 1 70 ? 24.954 10.834 17.761 1.00 10.38 0 A 2 -ATOM 552 N NH1 . ARG A 1 70 ? 23.888 10.879 18.545 1.00 10.06 0 A 2 -ATOM 553 N NH2 . ARG A 1 70 ? 24.809 10.546 16.483 1.00 14.85 0 A 2 -ATOM 554 N N . HIS A 1 71 ? 28.259 8.704 24.442 1.00 10.90 0 A 2 -ATOM 555 C CA . HIS A 1 71 ? 29.163 8.811 25.584 1.00 15.78 0 A 2 -ATOM 556 C C . HIS A 1 71 ? 30.019 7.551 25.743 1.00 14.91 0 A 2 -ATOM 557 O O . HIS A 1 71 ? 31.235 7.630 25.895 1.00 20.99 0 A 2 -ATOM 558 C CB . HIS A 1 71 ? 28.381 9.056 26.873 1.00 14.34 0 A 2 -ATOM 559 C CG . HIS A 1 71 ? 29.245 9.071 28.093 1.00 16.78 0 A 2 -ATOM 560 C CD2 . HIS A 1 71 ? 29.302 8.241 29.156 1.00 14.12 0 A 2 -ATOM 561 N ND1 . HIS A 1 71 ? 30.234 10.013 28.290 1.00 15.41 0 A 2 -ATOM 562 C CE1 . HIS A 1 71 ? 30.856 9.766 29.424 1.00 11.19 0 A 2 -ATOM 563 N NE2 . HIS A 1 71 ? 30.310 8.691 29.973 1.00 8.94 0 A 2 -ATOM 564 N N . LEU A 1 72 ? 29.371 6.391 25.732 1.00 19.30 0 A 2 -ATOM 565 C CA . LEU A 1 72 ? 30.065 5.111 25.874 1.00 16.59 0 A 2 -ATOM 566 C C . LEU A 1 72 ? 31.015 4.910 24.703 1.00 18.30 0 A 2 -ATOM 567 O O . LEU A 1 72 ? 32.143 4.439 24.875 1.00 22.34 0 A 2 -ATOM 568 C CB . LEU A 1 72 ? 29.040 3.972 25.900 1.00 12.31 0 A 2 -ATOM 569 C CG . LEU A 1 72 ? 28.630 3.307 27.214 1.00 15.77 0 A 2 -ATOM 570 C CD1 . LEU A 1 72 ? 28.942 4.162 28.429 1.00 13.70 0 A 2 -ATOM 571 C CD2 . LEU A 1 72 ? 27.152 2.954 27.155 1.00 5.95 0 A 2 -ATOM 572 N N . GLY A 1 73 ? 30.576 5.300 23.514 1.00 18.73 0 A 2 -ATOM 573 C CA . GLY A 1 73 ? 31.405 5.138 22.334 1.00 18.87 0 A 2 -ATOM 574 C C . GLY A 1 73 ? 32.640 6.009 22.368 1.00 19.72 0 A 2 -ATOM 575 O O . GLY A 1 73 ? 33.720 5.624 21.905 1.00 18.68 0 A 2 -ATOM 576 N N . ARG A 1 74 ? 32.492 7.182 22.954 1.00 24.00 0 A 2 -ATOM 577 C CA . ARG A 1 74 ? 33.586 8.125 23.051 1.00 25.02 0 A 2 -ATOM 578 C C . ARG A 1 74 ? 34.598 7.638 24.082 1.00 22.13 0 A 2 -ATOM 579 O O . ARG A 1 74 ? 35.784 7.499 23.787 1.00 21.61 0 A 2 -ATOM 580 C CB . ARG A 1 74 ? 33.014 9.490 23.443 1.00 24.98 0 A 2 -ATOM 581 C CG . ARG A 1 74 ? 33.896 10.693 23.160 1.00 27.04 0 A 2 -ATOM 582 C CD . ARG A 1 74 ? 33.027 11.874 22.780 1.00 21.06 0 A 2 -ATOM 583 N NE . ARG A 1 74 ? 31.857 11.924 23.640 1.00 19.49 0 A 2 -ATOM 584 C CZ . ARG A 1 74 ? 30.639 12.270 23.253 1.00 15.40 0 A 2 -ATOM 585 N NH1 . ARG A 1 74 ? 30.386 12.626 22.005 1.00 13.72 0 A 2 -ATOM 586 N NH2 . ARG A 1 74 ? 29.658 12.217 24.131 1.00 15.09 0 A 2 -ATOM 587 N N . THR A 1 75 ? 34.102 7.286 25.260 1.00 15.87 0 A 2 -ATOM 588 C CA . THR A 1 75 ? 34.968 6.847 26.334 1.00 21.99 0 A 2 -ATOM 589 C C . THR A 1 75 ? 35.544 5.446 26.189 1.00 21.93 0 A 2 -ATOM 590 O O . THR A 1 75 ? 36.547 5.124 26.834 1.00 24.68 0 A 2 -ATOM 591 C CB . THR A 1 75 ? 34.251 6.946 27.684 1.00 25.11 0 A 2 -ATOM 592 C CG2 . THR A 1 75 ? 33.944 8.398 28.020 1.00 18.38 0 A 2 -ATOM 593 O OG1 . THR A 1 75 ? 33.022 6.211 27.622 1.00 27.41 0 A 2 -ATOM 594 N N . LEU A 1 76 ? 34.870 4.590 25.422 1.00 20.86 0 A 2 -ATOM 595 C CA . LEU A 1 76 ? 35.336 3.218 25.224 1.00 15.43 0 A 2 -ATOM 596 C C . LEU A 1 76 ? 36.041 2.993 23.895 1.00 17.86 0 A 2 -ATOM 597 O O . LEU A 1 76 ? 36.524 1.890 23.637 1.00 20.78 0 A 2 -ATOM 598 C CB . LEU A 1 76 ? 34.188 2.222 25.360 1.00 15.27 0 A 2 -ATOM 599 C CG . LEU A 1 76 ? 33.811 1.667 26.728 1.00 12.36 0 A 2 -ATOM 600 C CD1 . LEU A 1 76 ? 34.750 2.161 27.818 1.00 13.14 0 A 2 -ATOM 601 C CD2 . LEU A 1 76 ? 32.404 2.057 27.029 1.00 10.91 0 A 2 -ATOM 602 N N . GLY A 1 77 ? 36.086 4.022 23.058 1.00 20.45 0 A 2 -ATOM 603 C CA . GLY A 1 77 ? 36.741 3.892 21.769 1.00 20.48 0 A 2 -ATOM 604 C C . GLY A 1 77 ? 35.939 3.145 20.713 1.00 19.41 0 A 2 -ATOM 605 O O . GLY A 1 77 ? 36.489 2.371 19.941 1.00 17.05 0 A 2 -ATOM 606 N N . LEU A 1 78 ? 34.638 3.385 20.692 1.00 16.20 0 A 2 -ATOM 607 C CA . LEU A 1 78 ? 33.759 2.765 19.715 1.00 12.76 0 A 2 -ATOM 608 C C . LEU A 1 78 ? 33.145 3.892 18.868 1.00 14.52 0 A 2 -ATOM 609 O O . LEU A 1 78 ? 31.960 3.841 18.559 1.00 10.30 0 A 2 -ATOM 610 C CB . LEU A 1 78 ? 32.654 1.982 20.435 1.00 12.99 0 A 2 -ATOM 611 C CG . LEU A 1 78 ? 33.132 1.221 21.678 1.00 13.16 0 A 2 -ATOM 612 C CD1 . LEU A 1 78 ? 31.957 0.613 22.358 1.00 14.45 0 A 2 -ATOM 613 C CD2 . LEU A 1 78 ? 34.173 0.147 21.318 1.00 12.31 0 A 2 -ATOM 614 N N . TYR A 1 79 ? 33.949 4.895 18.492 1.00 18.32 0 A 2 -ATOM 615 C CA . TYR A 1 79 ? 33.461 6.057 17.717 1.00 19.08 0 A 2 -ATOM 616 C C . TYR A 1 79 ? 34.282 6.335 16.432 1.00 22.41 0 A 2 -ATOM 617 O O . TYR A 1 79 ? 34.425 7.490 16.025 1.00 24.01 0 A 2 -ATOM 618 C CB . TYR A 1 79 ? 33.490 7.328 18.594 1.00 12.16 0 A 2 -ATOM 619 C CG . TYR A 1 79 ? 32.309 8.317 18.432 1.00 11.30 0 A 2 -ATOM 620 C CD1 . TYR A 1 79 ? 31.814 8.687 17.176 1.00 10.27 0 A 2 -ATOM 621 C CD2 . TYR A 1 79 ? 31.708 8.905 19.557 1.00 10.23 0 A 2 -ATOM 622 C CE1 . TYR A 1 79 ? 30.742 9.618 17.047 1.00 11.01 0 A 2 -ATOM 623 C CE2 . TYR A 1 79 ? 30.644 9.835 19.442 1.00 6.64 0 A 2 -ATOM 624 C CZ . TYR A 1 79 ? 30.170 10.176 18.189 1.00 10.33 0 A 2 -ATOM 625 O OH . TYR A 1 79 ? 29.089 11.023 18.125 1.00 15.00 0 A 2 -ATOM 626 N N . GLY A 1 80 ? 34.818 5.300 15.795 1.00 20.27 0 A 2 -ATOM 627 C CA . GLY A 1 80 ? 35.598 5.526 14.579 1.00 16.38 0 A 2 -ATOM 628 C C . GLY A 1 80 ? 37.060 5.814 14.848 1.00 19.16 0 A 2 -ATOM 629 O O . GLY A 1 80 ? 37.432 6.134 15.982 1.00 18.11 0 A 2 -ATOM 630 N N . LYS A 1 81 ? 37.902 5.698 13.825 1.00 23.65 0 A 2 -ATOM 631 C CA . LYS A 1 81 ? 39.332 5.915 14.016 1.00 27.37 0 A 2 -ATOM 632 C C . LYS A 1 81 ? 39.734 7.365 13.829 1.00 24.21 0 A 2 -ATOM 633 O O . LYS A 1 81 ? 40.822 7.773 14.213 1.00 26.19 0 A 2 -ATOM 634 C CB . LYS A 1 81 ? 40.154 4.988 13.102 1.00 26.88 0 A 2 -ATOM 635 C CG . LYS A 1 81 ? 40.183 5.383 11.634 1.00 32.77 0 A 2 -ATOM 636 C CD . LYS A 1 81 ? 41.054 4.427 10.827 1.00 34.84 0 A 2 -ATOM 637 C CE . LYS A 1 81 ? 41.326 4.962 9.427 1.00 39.59 0 A 2 -ATOM 638 N NZ . LYS A 1 81 ? 40.084 5.049 8.602 1.00 53.83 0 A 2 -ATOM 639 N N . ASP A 1 82 ? 38.848 8.153 13.236 1.00 27.53 0 A 2 -ATOM 640 C CA . ASP A 1 82 ? 39.128 9.562 13.031 1.00 26.59 0 A 2 -ATOM 641 C C . ASP A 1 82 ? 37.839 10.341 12.891 1.00 23.41 0 A 2 -ATOM 642 O O . ASP A 1 82 ? 36.744 9.763 12.915 1.00 27.26 0 A 2 -ATOM 643 C CB . ASP A 1 82 ? 40.046 9.785 11.814 1.00 26.30 0 A 2 -ATOM 644 C CG . ASP A 1 82 ? 39.506 9.176 10.535 1.00 23.89 0 A 2 -ATOM 645 O OD1 . ASP A 1 82 ? 38.306 9.330 10.236 1.00 28.62 0 A 2 -ATOM 646 O OD2 . ASP A 1 82 ? 40.299 8.549 9.810 1.00 31.21 0 A 2 -ATOM 647 N N . GLN A 1 83 ? 37.975 11.638 12.666 1.00 18.01 0 A 2 -ATOM 648 C CA . GLN A 1 83 ? 36.826 12.508 12.541 1.00 23.83 0 A 2 -ATOM 649 C C . GLN A 1 83 ? 35.909 12.106 11.410 1.00 22.28 0 A 2 -ATOM 650 O O . GLN A 1 83 ? 34.689 12.185 11.543 1.00 22.68 0 A 2 -ATOM 651 C CB . GLN A 1 83 ? 37.281 13.955 12.395 1.00 26.61 0 A 2 -ATOM 652 C CG . GLN A 1 83 ? 37.928 14.491 13.661 1.00 27.18 0 A 2 -ATOM 653 C CD . GLN A 1 83 ? 38.273 15.959 13.575 1.00 33.40 0 A 2 -ATOM 654 N NE2 . GLN A 1 83 ? 38.726 16.394 12.406 1.00 37.74 0 A 2 -ATOM 655 O OE1 . GLN A 1 83 ? 38.147 16.694 14.548 1.00 27.84 0 A 2 -ATOM 656 N N . GLN A 1 84 ? 36.500 11.649 10.320 1.00 22.31 0 A 2 -ATOM 657 C CA . GLN A 1 84 ? 35.731 11.214 9.164 1.00 27.04 0 A 2 -ATOM 658 C C . GLN A 1 84 ? 34.807 10.042 9.557 1.00 23.86 0 A 2 -ATOM 659 O O . GLN A 1 84 ? 33.581 10.138 9.438 1.00 21.39 0 A 2 -ATOM 660 C CB . GLN A 1 84 ? 36.690 10.819 8.035 1.00 31.00 0 A 2 -ATOM 661 C CG . GLN A 1 84 ? 36.010 10.312 6.788 1.00 40.65 0 A 2 -ATOM 662 C CD . GLN A 1 84 ? 36.949 10.262 5.617 1.00 48.02 0 A 2 -ATOM 663 N NE2 . GLN A 1 84 ? 37.213 9.061 5.118 1.00 52.71 0 A 2 -ATOM 664 O OE1 . GLN A 1 84 ? 37.448 11.293 5.172 1.00 55.36 0 A 2 -ATOM 665 N N . GLU A 1 85 ? 35.398 8.976 10.100 1.00 20.99 0 A 2 -ATOM 666 C CA . GLU A 1 85 ? 34.634 7.802 10.517 1.00 18.63 0 A 2 -ATOM 667 C C . GLU A 1 85 ? 33.604 8.196 11.562 1.00 16.42 0 A 2 -ATOM 668 O O . GLU A 1 85 ? 32.473 7.717 11.516 1.00 16.75 0 A 2 -ATOM 669 C CB . GLU A 1 85 ? 35.543 6.692 11.054 1.00 20.21 0 A 2 -ATOM 670 C CG . GLU A 1 85 ? 36.483 6.104 10.021 1.00 21.72 0 A 2 -ATOM 671 C CD . GLU A 1 85 ? 36.989 4.715 10.392 1.00 23.07 0 A 2 -ATOM 672 O OE1 . GLU A 1 85 ? 36.894 4.321 11.577 1.00 19.01 0 A 2 -ATOM 673 O OE2 . GLU A 1 85 ? 37.489 4.013 9.483 1.00 26.83 0 A 2 -ATOM 674 N N . ALA A 1 86 ? 33.982 9.111 12.453 1.00 15.18 0 A 2 -ATOM 675 C CA . ALA A 1 86 ? 33.085 9.604 13.499 1.00 15.43 0 A 2 -ATOM 676 C C . ALA A 1 86 ? 31.807 10.174 12.880 1.00 12.49 0 A 2 -ATOM 677 O O . ALA A 1 86 ? 30.699 9.898 13.354 1.00 13.15 0 A 2 -ATOM 678 C CB . ALA A 1 86 ? 33.791 10.673 14.334 1.00 12.72 0 A 2 -ATOM 679 N N . ALA A 1 87 ? 31.955 10.932 11.800 1.00 11.17 0 A 2 -ATOM 680 C CA . ALA A 1 87 ? 30.799 11.514 11.119 1.00 14.12 0 A 2 -ATOM 681 C C . ALA A 1 87 ? 29.947 10.388 10.505 1.00 12.81 0 A 2 -ATOM 682 O O . ALA A 1 87 ? 28.713 10.405 10.584 1.00 13.07 0 A 2 -ATOM 683 C CB . ALA A 1 87 ? 31.256 12.488 10.035 1.00 11.65 0 A 2 -ATOM 684 N N . LEU A 1 88 ? 30.615 9.416 9.894 1.00 12.83 0 A 2 -ATOM 685 C CA . LEU A 1 88 ? 29.930 8.289 9.272 1.00 11.51 0 A 2 -ATOM 686 C C . LEU A 1 88 ? 29.176 7.489 10.332 1.00 13.02 0 A 2 -ATOM 687 O O . LEU A 1 88 ? 28.034 7.078 10.114 1.00 14.79 0 A 2 -ATOM 688 C CB . LEU A 1 88 ? 30.948 7.432 8.506 1.00 10.68 0 A 2 -ATOM 689 C CG . LEU A 1 88 ? 31.591 8.239 7.364 1.00 11.18 0 A 2 -ATOM 690 C CD1 . LEU A 1 88 ? 32.777 7.518 6.764 1.00 10.41 0 A 2 -ATOM 691 C CD2 . LEU A 1 88 ? 30.554 8.546 6.296 1.00 6.76 0 A 2 -ATOM 692 N N . VAL A 1 89 ? 29.764 7.371 11.515 1.00 11.20 0 A 2 -ATOM 693 C CA . VAL A 1 89 ? 29.126 6.647 12.610 1.00 10.83 0 A 2 -ATOM 694 C C . VAL A 1 89 ? 27.830 7.359 13.022 1.00 14.49 0 A 2 -ATOM 695 O O . VAL A 1 89 ? 26.793 6.724 13.249 1.00 13.06 0 A 2 -ATOM 696 C CB . VAL A 1 89 ? 30.091 6.532 13.829 1.00 14.37 0 A 2 -ATOM 697 C CG1 . VAL A 1 89 ? 29.365 5.971 15.049 1.00 10.83 0 A 2 -ATOM 698 C CG2 . VAL A 1 89 ? 31.256 5.624 13.485 1.00 7.93 0 A 2 -ATOM 699 N N . ASP A 1 90 ? 27.891 8.688 13.096 1.00 17.78 0 A 2 -ATOM 700 C CA . ASP A 1 90 ? 26.741 9.501 13.480 1.00 10.64 0 A 2 -ATOM 701 C C . ASP A 1 90 ? 25.661 9.308 12.438 1.00 9.62 0 A 2 -ATOM 702 O O . ASP A 1 90 ? 24.510 9.057 12.771 1.00 16.15 0 A 2 -ATOM 703 C CB . ASP A 1 90 ? 27.113 10.995 13.530 1.00 9.99 0 A 2 -ATOM 704 C CG . ASP A 1 90 ? 27.827 11.389 14.806 1.00 5.61 0 A 2 -ATOM 705 O OD1 . ASP A 1 90 ? 27.634 10.732 15.833 1.00 13.44 0 A 2 -ATOM 706 O OD2 . ASP A 1 90 ? 28.554 12.384 14.795 1.00 12.55 0 A 2 -ATOM 707 N N . MET A 1 91 ? 26.059 9.400 11.177 1.00 7.49 0 A 2 -ATOM 708 C CA . MET A 1 91 ? 25.145 9.265 10.051 1.00 11.58 0 A 2 -ATOM 709 C C . MET A 1 91 ? 24.354 7.976 10.126 1.00 9.33 0 A 2 -ATOM 710 O O . MET A 1 91 ? 23.138 7.970 9.889 1.00 12.38 0 A 2 -ATOM 711 C CB . MET A 1 91 ? 25.933 9.338 8.750 1.00 9.78 0 A 2 -ATOM 712 C CG . MET A 1 91 ? 25.085 9.507 7.513 1.00 16.04 0 A 2 -ATOM 713 S SD . MET A 1 91 ? 26.173 9.866 6.165 1.00 19.88 0 A 2 -ATOM 714 C CE . MET A 1 91 ? 26.804 8.247 5.843 1.00 29.19 0 A 2 -ATOM 715 N N . VAL A 1 92 ? 25.032 6.887 10.482 1.00 14.63 0 A 2 -ATOM 716 C CA . VAL A 1 92 ? 24.367 5.591 10.610 1.00 13.36 0 A 2 -ATOM 717 C C . VAL A 1 92 ? 23.436 5.634 11.801 1.00 11.03 0 A 2 -ATOM 718 O O . VAL A 1 92 ? 22.268 5.272 11.690 1.00 12.92 0 A 2 -ATOM 719 C CB . VAL A 1 92 ? 25.378 4.446 10.850 1.00 12.08 0 A 2 -ATOM 720 C CG1 . VAL A 1 92 ? 24.644 3.181 11.240 1.00 10.69 0 A 2 -ATOM 721 C CG2 . VAL A 1 92 ? 26.199 4.204 9.608 1.00 7.76 0 A 2 -ATOM 722 N N . ASN A 1 93 ? 23.944 6.094 12.941 1.00 12.31 0 A 2 -ATOM 723 C CA . ASN A 1 93 ? 23.122 6.136 14.139 1.00 10.00 0 A 2 -ATOM 724 C C . ASN A 1 93 ? 21.878 6.971 13.957 1.00 9.72 0 A 2 -ATOM 725 O O . ASN A 1 93 ? 20.793 6.567 14.395 1.00 15.02 0 A 2 -ATOM 726 C CB . ASN A 1 93 ? 23.912 6.635 15.346 1.00 12.15 0 A 2 -ATOM 727 C CG . ASN A 1 93 ? 23.236 6.273 16.632 1.00 14.08 0 A 2 -ATOM 728 N ND2 . ASN A 1 93 ? 23.243 4.988 16.943 1.00 10.51 0 A 2 -ATOM 729 O OD1 . ASN A 1 93 ? 22.626 7.113 17.300 1.00 13.32 0 A 2 -ATOM 730 N N . ASP A 1 94 ? 22.024 8.123 13.296 1.00 9.31 0 A 2 -ATOM 731 C CA . ASP A 1 94 ? 20.875 9.004 13.034 1.00 10.13 0 A 2 -ATOM 732 C C . ASP A 1 94 ? 19.821 8.285 12.195 1.00 7.72 0 A 2 -ATOM 733 O O . ASP A 1 94 ? 18.625 8.434 12.423 1.00 11.87 0 A 2 -ATOM 734 C CB . ASP A 1 94 ? 21.314 10.281 12.316 1.00 11.93 0 A 2 -ATOM 735 C CG . ASP A 1 94 ? 22.129 11.213 13.190 1.00 17.36 0 A 2 -ATOM 736 O OD1 . ASP A 1 94 ? 22.376 10.885 14.372 1.00 22.49 0 A 2 -ATOM 737 O OD2 . ASP A 1 94 ? 22.528 12.276 12.691 1.00 16.78 0 A 2 -ATOM 738 N N . GLY A 1 95 ? 20.271 7.505 11.225 1.00 11.46 0 A 2 -ATOM 739 C CA . GLY A 1 95 ? 19.344 6.757 10.393 1.00 11.96 0 A 2 -ATOM 740 C C . GLY A 1 95 ? 18.632 5.707 11.228 1.00 13.87 0 A 2 -ATOM 741 O O . GLY A 1 95 ? 17.427 5.500 11.076 1.00 10.04 0 A 2 -ATOM 742 N N . VAL A 1 96 ? 19.369 5.065 12.129 1.00 13.88 0 A 2 -ATOM 743 C CA . VAL A 1 96 ? 18.804 4.047 13.012 1.00 11.98 0 A 2 -ATOM 744 C C . VAL A 1 96 ? 17.733 4.721 13.855 1.00 10.88 0 A 2 -ATOM 745 O O . VAL A 1 96 ? 16.599 4.233 13.942 1.00 14.86 0 A 2 -ATOM 746 C CB . VAL A 1 96 ? 19.890 3.414 13.926 1.00 15.73 0 A 2 -ATOM 747 C CG1 . VAL A 1 96 ? 19.267 2.441 14.914 1.00 13.37 0 A 2 -ATOM 748 C CG2 . VAL A 1 96 ? 20.918 2.673 13.084 1.00 13.54 0 A 2 -ATOM 749 N N . GLU A 1 97 ? 18.070 5.886 14.406 1.00 11.49 0 A 2 -ATOM 750 C CA . GLU A 1 97 ? 17.141 6.663 15.235 1.00 13.61 0 A 2 -ATOM 751 C C . GLU A 1 97 ? 15.852 6.996 14.483 1.00 13.41 0 A 2 -ATOM 752 O O . GLU A 1 97 ? 14.761 6.794 15.001 1.00 18.49 0 A 2 -ATOM 753 C CB . GLU A 1 97 ? 17.818 7.951 15.741 1.00 11.32 0 A 2 -ATOM 754 C CG . GLU A 1 97 ? 16.906 8.876 16.551 1.00 10.63 0 A 2 -ATOM 755 C CD . GLU A 1 97 ? 16.251 8.221 17.767 1.00 14.42 0 A 2 -ATOM 756 O OE1 . GLU A 1 97 ? 16.684 7.139 18.215 1.00 11.55 0 A 2 -ATOM 757 O OE2 . GLU A 1 97 ? 15.278 8.812 18.278 1.00 17.87 0 A 2 -ATOM 758 N N . ASP A 1 98 ? 15.980 7.454 13.243 1.00 14.10 0 A 2 -ATOM 759 C CA . ASP A 1 98 ? 14.823 7.781 12.425 1.00 13.15 0 A 2 -ATOM 760 C C . ASP A 1 98 ? 13.903 6.569 12.284 1.00 9.79 0 A 2 -ATOM 761 O O . ASP A 1 98 ? 12.678 6.676 12.405 1.00 11.28 0 A 2 -ATOM 762 C CB . ASP A 1 98 ? 15.277 8.202 11.025 1.00 15.20 0 A 2 -ATOM 763 C CG . ASP A 1 98 ? 15.748 9.643 10.956 1.00 12.17 0 A 2 -ATOM 764 O OD1 . ASP A 1 98 ? 15.709 10.355 11.981 1.00 12.79 0 A 2 -ATOM 765 O OD2 . ASP A 1 98 ? 16.146 10.063 9.856 1.00 23.99 0 A 2 -ATOM 766 N N . LEU A 1 99 ? 14.489 5.418 11.987 1.00 12.65 0 A 2 -ATOM 767 C CA . LEU A 1 99 ? 13.689 4.216 11.809 1.00 15.16 0 A 2 -ATOM 768 C C . LEU A 1 99 ? 13.127 3.719 13.140 1.00 13.92 0 A 2 -ATOM 769 O O . LEU A 1 99 ? 12.013 3.187 13.188 1.00 15.05 0 A 2 -ATOM 770 C CB . LEU A 1 99 ? 14.495 3.127 11.094 1.00 13.89 0 A 2 -ATOM 771 C CG . LEU A 1 99 ? 13.678 1.903 10.669 1.00 15.66 0 A 2 -ATOM 772 C CD1 . LEU A 1 99 ? 12.377 2.319 9.982 1.00 12.79 0 A 2 -ATOM 773 C CD2 . LEU A 1 99 ? 14.516 1.027 9.755 1.00 14.29 0 A 2 -ATOM 774 N N . ARG A 1 100 ? 13.871 3.924 14.224 1.00 13.87 0 A 2 -ATOM 775 C CA . ARG A 1 100 ? 13.394 3.495 15.536 1.00 14.16 0 A 2 -ATOM 776 C C . ARG A 1 100 ? 12.175 4.310 15.953 1.00 12.03 0 A 2 -ATOM 777 O O . ARG A 1 100 ? 11.270 3.792 16.607 1.00 21.59 0 A 2 -ATOM 778 C CB . ARG A 1 100 ? 14.495 3.621 16.594 1.00 10.62 0 A 2 -ATOM 779 C CG . ARG A 1 100 ? 14.062 3.056 17.943 1.00 10.57 0 A 2 -ATOM 780 C CD . ARG A 1 100 ? 15.120 3.201 19.008 1.00 3.47 0 A 2 -ATOM 781 N NE . ARG A 1 100 ? 16.345 2.478 18.689 1.00 12.32 0 A 2 -ATOM 782 C CZ . ARG A 1 100 ? 16.494 1.164 18.803 1.00 10.19 0 A 2 -ATOM 783 N NH1 . ARG A 1 100 ? 15.492 0.412 19.237 1.00 7.16 0 A 2 -ATOM 784 N NH2 . ARG A 1 100 ? 17.657 0.597 18.514 1.00 13.11 0 A 2 -ATOM 785 N N . CYS A 1 101 ? 12.146 5.586 15.579 1.00 12.84 0 A 2 -ATOM 786 C CA . CYS A 1 101 ? 11.024 6.457 15.916 1.00 12.88 0 A 2 -ATOM 787 C C . CYS A 1 101 ? 9.765 5.992 15.209 1.00 11.94 0 A 2 -ATOM 788 O O . CYS A 1 101 ? 8.681 6.012 15.785 1.00 20.94 0 A 2 -ATOM 789 C CB . CYS A 1 101 ? 11.313 7.913 15.539 1.00 15.28 0 A 2 -ATOM 790 S SG . CYS A 1 101 ? 12.611 8.717 16.507 1.00 23.55 0 A 2 -ATOM 791 N N . LYS A 1 102 ? 9.905 5.587 13.953 1.00 12.98 0 A 2 -ATOM 792 C CA . LYS A 1 102 ? 8.764 5.097 13.177 1.00 11.80 0 A 2 -ATOM 793 C C . LYS A 1 102 ? 8.290 3.783 13.792 1.00 12.31 0 A 2 -ATOM 794 O O . LYS A 1 102 ? 7.089 3.555 13.954 1.00 16.55 0 A 2 -ATOM 795 C CB . LYS A 1 102 ? 9.178 4.870 11.722 1.00 17.38 0 A 2 -ATOM 796 C CG . LYS A 1 102 ? 9.590 6.135 10.986 1.00 27.18 0 A 2 -ATOM 797 C CD . LYS A 1 102 ? 10.054 5.801 9.581 1.00 28.92 0 A 2 -ATOM 798 C CE . LYS A 1 102 ? 10.159 7.055 8.725 1.00 33.11 0 A 2 -ATOM 799 N NZ . LYS A 1 102 ? 10.782 6.777 7.399 1.00 36.21 0 A 2 -ATOM 800 N N . TYR A 1 103 ? 9.244 2.935 14.161 1.00 9.24 0 A 2 -ATOM 801 C CA . TYR A 1 103 ? 8.953 1.655 14.788 1.00 14.65 0 A 2 -ATOM 802 C C . TYR A 1 103 ? 8.179 1.917 16.078 1.00 16.69 0 A 2 -ATOM 803 O O . TYR A 1 103 ? 7.094 1.374 16.299 1.00 22.64 0 A 2 -ATOM 804 C CB . TYR A 1 103 ? 10.276 0.926 15.100 1.00 13.23 0 A 2 -ATOM 805 C CG . TYR A 1 103 ? 10.154 -0.306 15.965 1.00 12.67 0 A 2 -ATOM 806 C CD1 . TYR A 1 103 ? 9.865 -1.546 15.410 1.00 11.48 0 A 2 -ATOM 807 C CD2 . TYR A 1 103 ? 10.321 -0.231 17.349 1.00 12.26 0 A 2 -ATOM 808 C CE1 . TYR A 1 103 ? 9.740 -2.688 16.215 1.00 17.09 0 A 2 -ATOM 809 C CE2 . TYR A 1 103 ? 10.201 -1.363 18.165 1.00 18.49 0 A 2 -ATOM 810 C CZ . TYR A 1 103 ? 9.906 -2.583 17.593 1.00 18.16 0 A 2 -ATOM 811 O OH . TYR A 1 103 ? 9.747 -3.689 18.397 1.00 11.85 0 A 2 -ATOM 812 N N . ILE A 1 104 ? 8.733 2.771 16.920 1.00 17.02 0 A 2 -ATOM 813 C CA . ILE A 1 104 ? 8.112 3.097 18.185 1.00 11.67 0 A 2 -ATOM 814 C C . ILE A 1 104 ? 6.701 3.610 17.945 1.00 15.35 0 A 2 -ATOM 815 O O . ILE A 1 104 ? 5.737 3.147 18.557 1.00 18.65 0 A 2 -ATOM 816 C CB . ILE A 1 104 ? 8.981 4.128 18.938 1.00 13.49 0 A 2 -ATOM 817 C CG1 . ILE A 1 104 ? 10.269 3.451 19.431 1.00 15.14 0 A 2 -ATOM 818 C CG2 . ILE A 1 104 ? 8.198 4.747 20.086 1.00 11.97 0 A 2 -ATOM 819 C CD1 . ILE A 1 104 ? 11.308 4.406 19.990 1.00 5.69 0 A 2 -ATOM 820 N N . SER A 1 105 ? 6.572 4.511 16.984 1.00 18.14 0 A 2 -ATOM 821 C CA . SER A 1 105 ? 5.281 5.087 16.654 1.00 19.80 0 A 2 -ATOM 822 C C . SER A 1 105 ? 4.285 3.981 16.313 1.00 18.91 0 A 2 -ATOM 823 O O . SER A 1 105 ? 3.157 4.001 16.779 1.00 21.94 0 A 2 -ATOM 824 C CB . SER A 1 105 ? 5.423 6.050 15.475 1.00 19.96 0 A 2 -ATOM 825 O OG . SER A 1 105 ? 4.228 6.761 15.258 1.00 22.52 0 A 2 -ATOM 826 N N . LEU A 1 106 ? 4.691 3.025 15.495 1.00 15.98 0 A 2 -ATOM 827 C CA . LEU A 1 106 ? 3.797 1.933 15.131 1.00 19.05 0 A 2 -ATOM 828 C C . LEU A 1 106 ? 3.364 1.175 16.378 1.00 17.47 0 A 2 -ATOM 829 O O . LEU A 1 106 ? 2.184 1.115 16.716 1.00 19.49 0 A 2 -ATOM 830 C CB . LEU A 1 106 ? 4.506 0.970 14.178 1.00 16.89 0 A 2 -ATOM 831 C CG . LEU A 1 106 ? 3.736 -0.311 13.827 1.00 24.30 0 A 2 -ATOM 832 C CD1 . LEU A 1 106 ? 2.528 0.012 12.935 1.00 12.38 0 A 2 -ATOM 833 C CD2 . LEU A 1 106 ? 4.677 -1.291 13.143 1.00 22.23 0 A 2 -ATOM 834 N N . ILE A 1 107 ? 4.353 0.653 17.086 1.00 15.72 0 A 2 -ATOM 835 C CA . ILE A 1 107 ? 4.140 -0.122 18.297 1.00 23.09 0 A 2 -ATOM 836 C C . ILE A 1 107 ? 3.180 0.494 19.304 1.00 22.75 0 A 2 -ATOM 837 O O . ILE A 1 107 ? 2.372 -0.219 19.897 1.00 25.35 0 A 2 -ATOM 838 C CB . ILE A 1 107 ? 5.484 -0.383 19.017 1.00 25.26 0 A 2 -ATOM 839 C CG1 . ILE A 1 107 ? 6.428 -1.159 18.091 1.00 19.76 0 A 2 -ATOM 840 C CG2 . ILE A 1 107 ? 5.264 -1.133 20.342 1.00 25.52 0 A 2 -ATOM 841 C CD1 . ILE A 1 107 ? 5.884 -2.493 17.636 1.00 19.78 0 A 2 -ATOM 842 N N . TYR A 1 108 ? 3.267 1.810 19.498 1.00 21.63 0 A 2 -ATOM 843 C CA . TYR A 1 108 ? 2.428 2.506 20.472 1.00 22.71 0 A 2 -ATOM 844 C C . TYR A 1 108 ? 1.256 3.363 19.894 1.00 23.36 0 A 2 -ATOM 845 O O . TYR A 1 108 ? 0.242 3.566 20.557 1.00 24.40 0 A 2 -ATOM 846 C CB . TYR A 1 108 ? 3.351 3.365 21.395 1.00 21.01 0 A 2 -ATOM 847 C CG . TYR A 1 108 ? 4.365 2.595 22.246 1.00 18.74 0 A 2 -ATOM 848 C CD1 . TYR A 1 108 ? 3.965 1.963 23.430 1.00 20.42 0 A 2 -ATOM 849 C CD2 . TYR A 1 108 ? 5.708 2.448 21.851 1.00 21.62 0 A 2 -ATOM 850 C CE1 . TYR A 1 108 ? 4.842 1.213 24.182 1.00 17.64 0 A 2 -ATOM 851 C CE2 . TYR A 1 108 ? 6.599 1.683 22.625 1.00 16.73 0 A 2 -ATOM 852 C CZ . TYR A 1 108 ? 6.139 1.074 23.788 1.00 21.39 0 A 2 -ATOM 853 O OH . TYR A 1 108 ? 6.951 0.376 24.643 1.00 24.74 0 A 2 -ATOM 854 N N . THR A 1 109 ? 1.351 3.785 18.638 1.00 28.26 0 A 2 -ATOM 855 C CA . THR A 1 109 ? 0.323 4.650 18.044 1.00 31.34 0 A 2 -ATOM 856 C C . THR A 1 109 ? -0.742 3.953 17.215 1.00 33.54 0 A 2 -ATOM 857 O O . THR A 1 109 ? -1.935 4.252 17.332 1.00 30.65 0 A 2 -ATOM 858 C CB . THR A 1 109 ? 0.982 5.803 17.252 1.00 28.77 0 A 2 -ATOM 859 C CG2 . THR A 1 109 ? -0.010 6.536 16.361 1.00 37.77 0 A 2 -ATOM 860 O OG1 . THR A 1 109 ? 1.547 6.724 18.187 1.00 30.80 0 A 2 -ATOM 861 N N . ASN A 1 110 ? -0.323 3.019 16.375 1.00 31.20 0 A 2 -ATOM 862 C CA . ASN A 1 110 ? -1.288 2.299 15.569 1.00 33.49 0 A 2 -ATOM 863 C C . ASN A 1 110 ? -0.725 1.006 15.013 1.00 31.43 0 A 2 -ATOM 864 O O . ASN A 1 110 ? -0.522 0.856 13.816 1.00 31.15 0 A 2 -ATOM 865 C CB . ASN A 1 110 ? -1.887 3.194 14.476 1.00 37.66 0 A 2 -ATOM 866 C CG . ASN A 1 110 ? -0.851 3.708 13.498 1.00 44.60 0 A 2 -ATOM 867 N ND2 . ASN A 1 110 ? 0.323 4.075 13.991 1.00 45.88 0 A 2 -ATOM 868 O OD1 . ASN A 1 110 ? -1.117 3.788 12.302 1.00 46.35 0 A 2 -ATOM 869 N N . TYR A 1 111 ? -0.515 0.052 15.910 1.00 29.11 0 A 2 -ATOM 870 C CA . TYR A 1 111 ? 0.014 -1.245 15.544 1.00 28.88 0 A 2 -ATOM 871 C C . TYR A 1 111 ? -0.891 -2.015 14.582 1.00 29.41 0 A 2 -ATOM 872 O O . TYR A 1 111 ? -0.450 -2.436 13.521 1.00 29.16 0 A 2 -ATOM 873 C CB . TYR A 1 111 ? 0.244 -2.077 16.798 1.00 25.82 0 A 2 -ATOM 874 C CG . TYR A 1 111 ? 0.954 -3.375 16.518 1.00 27.76 0 A 2 -ATOM 875 C CD1 . TYR A 1 111 ? 0.263 -4.480 16.044 1.00 25.95 0 A 2 -ATOM 876 C CD2 . TYR A 1 111 ? 2.332 -3.487 16.692 1.00 25.97 0 A 2 -ATOM 877 C CE1 . TYR A 1 111 ? 0.925 -5.662 15.740 1.00 32.35 0 A 2 -ATOM 878 C CE2 . TYR A 1 111 ? 3.005 -4.658 16.390 1.00 21.03 0 A 2 -ATOM 879 C CZ . TYR A 1 111 ? 2.300 -5.740 15.915 1.00 29.01 0 A 2 -ATOM 880 O OH . TYR A 1 111 ? 2.966 -6.892 15.594 1.00 26.57 0 A 2 -ATOM 881 N N . GLU A 1 112 ? -2.162 -2.175 14.939 1.00 34.78 0 A 2 -ATOM 882 C CA . GLU A 1 112 ? -3.116 -2.924 14.120 1.00 39.41 0 A 2 -ATOM 883 C C . GLU A 1 112 ? -3.372 -2.339 12.746 1.00 37.93 0 A 2 -ATOM 884 O O . GLU A 1 112 ? -3.377 -3.064 11.748 1.00 34.97 0 A 2 -ATOM 885 C CB . GLU A 1 112 ? -4.453 -3.077 14.845 1.00 46.25 0 A 2 -ATOM 886 C CG . GLU A 1 112 ? -4.408 -3.942 16.093 1.00 60.16 0 A 2 -ATOM 887 C CD . GLU A 1 112 ? -3.550 -3.340 17.202 1.00 68.30 0 A 2 -ATOM 888 O OE1 . GLU A 1 112 ? -3.701 -2.133 17.507 1.00 69.80 0 A 2 -ATOM 889 O OE2 . GLU A 1 112 ? -2.715 -4.079 17.775 1.00 71.81 0 A 2 -ATOM 890 N N . ALA A 1 113 ? -3.616 -1.035 12.699 1.00 38.97 0 A 2 -ATOM 891 C CA . ALA A 1 113 ? -3.893 -0.354 11.437 1.00 38.90 0 A 2 -ATOM 892 C C . ALA A 1 113 ? -2.675 -0.154 10.527 1.00 35.73 0 A 2 -ATOM 893 O O . ALA A 1 113 ? -2.758 -0.371 9.316 1.00 34.40 0 A 2 -ATOM 894 C CB . ALA A 1 113 ? -4.586 0.984 11.711 1.00 35.69 0 A 2 -ATOM 895 N N . GLY A 1 114 ? -1.537 0.204 11.105 1.00 33.14 0 A 2 -ATOM 896 C CA . GLY A 1 114 ? -0.369 0.463 10.286 1.00 32.59 0 A 2 -ATOM 897 C C . GLY A 1 114 ? 0.669 -0.617 10.041 1.00 31.61 0 A 2 -ATOM 898 O O . GLY A 1 114 ? 1.575 -0.413 9.225 1.00 34.95 0 A 2 -ATOM 899 N N . LYS A 1 115 ? 0.536 -1.773 10.677 1.00 24.40 0 A 2 -ATOM 900 C CA . LYS A 1 115 ? 1.529 -2.826 10.509 1.00 26.77 0 A 2 -ATOM 901 C C . LYS A 1 115 ? 1.757 -3.208 9.054 1.00 29.74 0 A 2 -ATOM 902 O O . LYS A 1 115 ? 2.900 -3.286 8.609 1.00 35.37 0 A 2 -ATOM 903 C CB . LYS A 1 115 ? 1.161 -4.057 11.337 1.00 28.02 0 A 2 -ATOM 904 C CG . LYS A 1 115 ? 2.303 -5.045 11.560 1.00 23.76 0 A 2 -ATOM 905 C CD . LYS A 1 115 ? 1.820 -6.215 12.379 1.00 22.74 0 A 2 -ATOM 906 C CE . LYS A 1 115 ? 2.829 -7.341 12.421 1.00 23.64 0 A 2 -ATOM 907 N NZ . LYS A 1 115 ? 4.085 -6.942 13.091 1.00 33.60 0 A 2 -ATOM 908 N N . ASP A 1 116 ? 0.686 -3.399 8.291 1.00 34.44 0 A 2 -ATOM 909 C CA . ASP A 1 116 ? 0.836 -3.774 6.879 1.00 33.22 0 A 2 -ATOM 910 C C . ASP A 1 116 ? 1.624 -2.749 6.097 1.00 25.88 0 A 2 -ATOM 911 O O . ASP A 1 116 ? 2.594 -3.068 5.418 1.00 23.26 0 A 2 -ATOM 912 C CB . ASP A 1 116 ? -0.525 -3.968 6.216 1.00 45.11 0 A 2 -ATOM 913 C CG . ASP A 1 116 ? -1.308 -5.128 6.808 1.00 51.52 0 A 2 -ATOM 914 O OD1 . ASP A 1 116 ? -0.687 -6.121 7.244 1.00 54.29 0 A 2 -ATOM 915 O OD2 . ASP A 1 116 ? -2.552 -5.045 6.845 1.00 58.73 0 A 2 -ATOM 916 N N . ASP A 1 117 ? 1.218 -1.499 6.220 1.00 29.35 0 A 2 -ATOM 917 C CA . ASP A 1 117 ? 1.894 -0.437 5.512 1.00 26.52 0 A 2 -ATOM 918 C C . ASP A 1 117 ? 3.340 -0.305 5.949 1.00 22.67 0 A 2 -ATOM 919 O O . ASP A 1 117 ? 4.223 -0.071 5.126 1.00 21.20 0 A 2 -ATOM 920 C CB . ASP A 1 117 ? 1.143 0.875 5.702 1.00 30.38 0 A 2 -ATOM 921 C CG . ASP A 1 117 ? -0.171 0.909 4.930 1.00 36.23 0 A 2 -ATOM 922 O OD1 . ASP A 1 117 ? -0.308 0.191 3.905 1.00 35.08 0 A 2 -ATOM 923 O OD2 . ASP A 1 117 ? -1.068 1.664 5.344 1.00 40.82 0 A 2 -ATOM 924 N N . TYR A 1 118 ? 3.590 -0.538 7.230 1.00 19.95 0 A 2 -ATOM 925 C CA . TYR A 1 118 ? 4.929 -0.427 7.772 1.00 16.19 0 A 2 -ATOM 926 C C . TYR A 1 118 ? 5.828 -1.509 7.184 1.00 21.17 0 A 2 -ATOM 927 O O . TYR A 1 118 ? 6.943 -1.242 6.718 1.00 20.90 0 A 2 -ATOM 928 C CB . TYR A 1 118 ? 4.879 -0.531 9.303 1.00 14.13 0 A 2 -ATOM 929 C CG . TYR A 1 118 ? 6.191 -0.222 9.985 1.00 16.19 0 A 2 -ATOM 930 C CD1 . TYR A 1 118 ? 7.125 -1.222 10.229 1.00 16.18 0 A 2 -ATOM 931 C CD2 . TYR A 1 118 ? 6.507 1.089 10.369 1.00 15.74 0 A 2 -ATOM 932 C CE1 . TYR A 1 118 ? 8.335 -0.928 10.824 1.00 17.42 0 A 2 -ATOM 933 C CE2 . TYR A 1 118 ? 7.721 1.389 10.969 1.00 14.62 0 A 2 -ATOM 934 C CZ . TYR A 1 118 ? 8.629 0.364 11.188 1.00 17.45 0 A 2 -ATOM 935 O OH . TYR A 1 118 ? 9.852 0.607 11.767 1.00 16.68 0 A 2 -ATOM 936 N N . VAL A 1 119 ? 5.325 -2.736 7.204 1.00 26.68 0 A 2 -ATOM 937 C CA . VAL A 1 119 ? 6.063 -3.879 6.693 1.00 27.41 0 A 2 -ATOM 938 C C . VAL A 1 119 ? 6.299 -3.748 5.197 1.00 27.37 0 A 2 -ATOM 939 O O . VAL A 1 119 ? 7.336 -4.173 4.686 1.00 25.57 0 A 2 -ATOM 940 C CB . VAL A 1 119 ? 5.347 -5.199 7.044 1.00 28.54 0 A 2 -ATOM 941 C CG1 . VAL A 1 119 ? 6.012 -6.382 6.335 1.00 27.92 0 A 2 -ATOM 942 C CG2 . VAL A 1 119 ? 5.365 -5.407 8.565 1.00 22.22 0 A 2 -ATOM 943 N N . LYS A 1 120 ? 5.347 -3.139 4.495 1.00 30.82 0 A 2 -ATOM 944 C CA . LYS A 1 120 ? 5.494 -2.933 3.060 1.00 33.93 0 A 2 -ATOM 945 C C . LYS A 1 120 ? 6.619 -1.941 2.804 1.00 29.52 0 A 2 -ATOM 946 O O . LYS A 1 120 ? 7.393 -2.110 1.870 1.00 27.60 0 A 2 -ATOM 947 C CB . LYS A 1 120 ? 4.198 -2.403 2.449 1.00 40.91 0 A 2 -ATOM 948 C CG . LYS A 1 120 ? 3.108 -3.440 2.300 1.00 52.35 0 A 2 -ATOM 949 C CD . LYS A 1 120 ? 1.810 -2.774 1.887 1.00 62.16 0 A 2 -ATOM 950 C CE . LYS A 1 120 ? 0.701 -3.785 1.682 1.00 64.49 0 A 2 -ATOM 951 N NZ . LYS A 1 120 ? -0.624 -3.100 1.579 1.00 71.12 0 A 2 -ATOM 952 N N . ALA A 1 121 ? 6.725 -0.927 3.661 1.00 26.57 0 A 2 -ATOM 953 C CA . ALA A 1 121 ? 7.759 0.091 3.503 1.00 24.50 0 A 2 -ATOM 954 C C . ALA A 1 121 ? 9.126 -0.318 4.023 1.00 20.48 0 A 2 -ATOM 955 O O . ALA A 1 121 ? 10.136 0.236 3.595 1.00 25.32 0 A 2 -ATOM 956 C CB . ALA A 1 121 ? 7.323 1.404 4.156 1.00 21.25 0 A 2 -ATOM 957 N N . LEU A 1 122 ? 9.176 -1.320 4.894 1.00 20.79 0 A 2 -ATOM 958 C CA . LEU A 1 122 ? 10.448 -1.762 5.468 1.00 20.56 0 A 2 -ATOM 959 C C . LEU A 1 122 ? 11.633 -1.938 4.524 1.00 18.57 0 A 2 -ATOM 960 O O . LEU A 1 122 ? 12.688 -1.351 4.753 1.00 26.35 0 A 2 -ATOM 961 C CB . LEU A 1 122 ? 10.285 -3.038 6.311 1.00 18.11 0 A 2 -ATOM 962 C CG . LEU A 1 122 ? 10.430 -2.864 7.826 1.00 21.41 0 A 2 -ATOM 963 C CD1 . LEU A 1 122 ? 10.673 -4.227 8.478 1.00 19.12 0 A 2 -ATOM 964 C CD2 . LEU A 1 122 ? 11.579 -1.909 8.140 1.00 10.04 0 A 2 -ATOM 965 N N . PRO A 1 123 ? 11.488 -2.728 3.451 1.00 18.53 0 A 2 -ATOM 966 C CA . PRO A 1 123 ? 12.606 -2.923 2.529 1.00 17.86 0 A 2 -ATOM 967 C C . PRO A 1 123 ? 13.363 -1.626 2.214 1.00 19.01 0 A 2 -ATOM 968 O O . PRO A 1 123 ? 14.598 -1.564 2.328 1.00 19.65 0 A 2 -ATOM 969 C CB . PRO A 1 123 ? 11.924 -3.498 1.290 1.00 19.69 0 A 2 -ATOM 970 C CG . PRO A 1 123 ? 10.831 -4.290 1.868 1.00 13.62 0 A 2 -ATOM 971 C CD . PRO A 1 123 ? 10.272 -3.387 2.930 1.00 16.52 0 A 2 -ATOM 972 N N . GLY A 1 124 ? 12.609 -0.585 1.873 1.00 16.44 0 A 2 -ATOM 973 C CA . GLY A 1 124 ? 13.206 0.699 1.552 1.00 19.77 0 A 2 -ATOM 974 C C . GLY A 1 124 ? 13.901 1.365 2.728 1.00 20.03 0 A 2 -ATOM 975 O O . GLY A 1 124 ? 14.868 2.093 2.539 1.00 22.98 0 A 2 -ATOM 976 N N . GLN A 1 125 ? 13.419 1.099 3.939 1.00 17.30 0 A 2 -ATOM 977 C CA . GLN A 1 125 ? 14.008 1.672 5.144 1.00 16.24 0 A 2 -ATOM 978 C C . GLN A 1 125 ? 15.279 0.938 5.550 1.00 15.26 0 A 2 -ATOM 979 O O . GLN A 1 125 ? 16.153 1.506 6.210 1.00 19.15 0 A 2 -ATOM 980 C CB . GLN A 1 125 ? 13.011 1.614 6.294 1.00 16.01 0 A 2 -ATOM 981 C CG . GLN A 1 125 ? 11.735 2.372 6.034 1.00 17.50 0 A 2 -ATOM 982 C CD . GLN A 1 125 ? 11.980 3.851 5.849 1.00 24.85 0 A 2 -ATOM 983 N NE2 . GLN A 1 125 ? 12.709 4.445 6.778 1.00 25.77 0 A 2 -ATOM 984 O OE1 . GLN A 1 125 ? 11.518 4.456 4.883 1.00 28.68 0 A 2 -ATOM 985 N N . LEU A 1 126 ? 15.370 -0.335 5.184 1.00 16.33 0 A 2 -ATOM 986 C CA . LEU A 1 126 ? 16.536 -1.148 5.520 1.00 17.45 0 A 2 -ATOM 987 C C . LEU A 1 126 ? 17.615 -1.028 4.469 1.00 18.14 0 A 2 -ATOM 988 O O . LEU A 1 126 ? 18.805 -1.101 4.784 1.00 25.46 0 A 2 -ATOM 989 C CB . LEU A 1 126 ? 16.136 -2.615 5.683 1.00 16.46 0 A 2 -ATOM 990 C CG . LEU A 1 126 ? 15.171 -2.918 6.825 1.00 20.15 0 A 2 -ATOM 991 C CD1 . LEU A 1 126 ? 14.774 -4.400 6.819 1.00 17.45 0 A 2 -ATOM 992 C CD2 . LEU A 1 126 ? 15.814 -2.517 8.149 1.00 14.62 0 A 2 -ATOM 993 N N . LYS A 1 127 ? 17.202 -0.839 3.220 1.00 17.93 0 A 2 -ATOM 994 C CA . LYS A 1 127 ? 18.111 -0.701 2.090 1.00 18.57 0 A 2 -ATOM 995 C C . LYS A 1 127 ? 19.342 0.168 2.349 1.00 20.23 0 A 2 -ATOM 996 O O . LYS A 1 127 ? 20.460 -0.195 1.955 1.00 21.96 0 A 2 -ATOM 997 C CB . LYS A 1 127 ? 17.356 -0.161 0.881 1.00 25.83 0 A 2 -ATOM 998 C CG . LYS A 1 127 ? 17.391 -1.064 -0.338 1.00 37.54 0 A 2 -ATOM 999 C CD . LYS A 1 127 ? 16.347 -0.631 -1.354 1.00 44.78 0 A 2 -ATOM 1000 C CE . LYS A 1 127 ? 16.233 -1.618 -2.502 1.00 50.61 0 A 2 -ATOM 1001 N NZ . LYS A 1 127 ? 15.004 -1.334 -3.295 1.00 54.16 0 A 2 -ATOM 1002 N N . PRO A 1 128 ? 19.167 1.340 2.993 1.00 21.41 0 A 2 -ATOM 1003 C CA . PRO A 1 128 ? 20.328 2.203 3.261 1.00 17.21 0 A 2 -ATOM 1004 C C . PRO A 1 128 ? 21.460 1.535 4.063 1.00 14.30 0 A 2 -ATOM 1005 O O . PRO A 1 128 ? 22.645 1.771 3.794 1.00 17.45 0 A 2 -ATOM 1006 C CB . PRO A 1 128 ? 19.714 3.369 4.031 1.00 17.18 0 A 2 -ATOM 1007 C CG . PRO A 1 128 ? 18.353 3.474 3.431 1.00 17.64 0 A 2 -ATOM 1008 C CD . PRO A 1 128 ? 17.918 2.029 3.374 1.00 16.09 0 A 2 -ATOM 1009 N N . PHE A 1 129 ? 21.102 0.666 5.003 1.00 13.97 0 A 2 -ATOM 1010 C CA . PHE A 1 129 ? 22.106 -0.004 5.832 1.00 15.11 0 A 2 -ATOM 1011 C C . PHE A 1 129 ? 22.828 -1.112 5.089 1.00 15.41 0 A 2 -ATOM 1012 O O . PHE A 1 129 ? 24.017 -1.340 5.312 1.00 16.71 0 A 2 -ATOM 1013 C CB . PHE A 1 129 ? 21.464 -0.488 7.131 1.00 14.45 0 A 2 -ATOM 1014 C CG . PHE A 1 129 ? 20.779 0.612 7.873 1.00 18.90 0 A 2 -ATOM 1015 C CD1 . PHE A 1 129 ? 21.517 1.561 8.584 1.00 19.40 0 A 2 -ATOM 1016 C CD2 . PHE A 1 129 ? 19.401 0.763 7.788 1.00 19.14 0 A 2 -ATOM 1017 C CE1 . PHE A 1 129 ? 20.881 2.654 9.187 1.00 18.63 0 A 2 -ATOM 1018 C CE2 . PHE A 1 129 ? 18.755 1.857 8.386 1.00 18.95 0 A 2 -ATOM 1019 C CZ . PHE A 1 129 ? 19.496 2.803 9.089 1.00 7.59 0 A 2 -ATOM 1020 N N . GLU A 1 130 ? 22.124 -1.751 4.162 1.00 17.31 0 A 2 -ATOM 1021 C CA . GLU A 1 130 ? 22.704 -2.805 3.331 1.00 20.93 0 A 2 -ATOM 1022 C C . GLU A 1 130 ? 23.737 -2.124 2.394 1.00 20.50 0 A 2 -ATOM 1023 O O . GLU A 1 130 ? 24.892 -2.571 2.268 1.00 20.68 0 A 2 -ATOM 1024 C CB . GLU A 1 130 ? 21.587 -3.509 2.546 1.00 18.29 0 A 2 -ATOM 1025 C CG . GLU A 1 130 ? 22.029 -4.629 1.599 1.00 21.84 0 A 2 -ATOM 1026 C CD . GLU A 1 130 ? 22.492 -5.909 2.287 1.00 22.93 0 A 2 -ATOM 1027 O OE1 . GLU A 1 130 ? 22.473 -5.983 3.533 1.00 26.14 0 A 2 -ATOM 1028 O OE2 . GLU A 1 130 ? 22.880 -6.851 1.561 1.00 23.95 0 A 2 -ATOM 1029 N N . THR A 1 131 ? 23.343 -0.986 1.831 1.00 19.13 0 A 2 -ATOM 1030 C CA . THR A 1 131 ? 24.196 -0.209 0.941 1.00 18.96 0 A 2 -ATOM 1031 C C . THR A 1 131 ? 25.465 0.226 1.661 1.00 16.89 0 A 2 -ATOM 1032 O O . THR A 1 131 ? 26.567 0.089 1.127 1.00 24.80 0 A 2 -ATOM 1033 C CB . THR A 1 131 ? 23.459 1.035 0.418 1.00 22.34 0 A 2 -ATOM 1034 C CG2 . THR A 1 131 ? 24.323 1.799 -0.577 1.00 24.70 0 A 2 -ATOM 1035 O OG1 . THR A 1 131 ? 22.239 0.624 -0.214 1.00 21.08 0 A 2 -ATOM 1036 N N . LEU A 1 132 ? 25.300 0.771 2.862 1.00 15.24 0 A 2 -ATOM 1037 C CA . LEU A 1 132 ? 26.425 1.204 3.689 1.00 18.82 0 A 2 -ATOM 1038 C C . LEU A 1 132 ? 27.404 0.046 3.835 1.00 23.43 0 A 2 -ATOM 1039 O O . LEU A 1 132 ? 28.625 0.205 3.669 1.00 26.11 0 A 2 -ATOM 1040 C CB . LEU A 1 132 ? 25.916 1.589 5.075 1.00 16.26 0 A 2 -ATOM 1041 C CG . LEU A 1 132 ? 25.371 3.005 5.159 1.00 17.65 0 A 2 -ATOM 1042 C CD1 . LEU A 1 132 ? 24.541 3.203 6.404 1.00 11.78 0 A 2 -ATOM 1043 C CD2 . LEU A 1 132 ? 26.549 3.959 5.138 1.00 18.72 0 A 2 -ATOM 1044 N N . LEU A 1 133 ? 26.841 -1.123 4.118 1.00 22.15 0 A 2 -ATOM 1045 C CA . LEU A 1 133 ? 27.624 -2.335 4.289 1.00 25.34 0 A 2 -ATOM 1046 C C . LEU A 1 133 ? 28.407 -2.706 3.023 1.00 23.05 0 A 2 -ATOM 1047 O O . LEU A 1 133 ? 29.600 -2.994 3.099 1.00 27.63 0 A 2 -ATOM 1048 C CB . LEU A 1 133 ? 26.698 -3.472 4.695 1.00 21.69 0 A 2 -ATOM 1049 C CG . LEU A 1 133 ? 26.997 -4.200 5.999 1.00 23.31 0 A 2 -ATOM 1050 C CD1 . LEU A 1 133 ? 27.700 -3.282 6.980 1.00 17.10 0 A 2 -ATOM 1051 C CD2 . LEU A 1 133 ? 25.682 -4.736 6.569 1.00 14.40 0 A 2 -ATOM 1052 N N . SER A 1 134 ? 27.761 -2.660 1.858 1.00 20.70 0 A 2 -ATOM 1053 C CA . SER A 1 134 ? 28.450 -3.004 0.617 1.00 20.46 0 A 2 -ATOM 1054 C C . SER A 1 134 ? 29.585 -2.046 0.288 1.00 20.87 0 A 2 -ATOM 1055 O O . SER A 1 134 ? 30.473 -2.382 -0.500 1.00 21.25 0 A 2 -ATOM 1056 C CB . SER A 1 134 ? 27.477 -3.046 -0.556 1.00 19.60 0 A 2 -ATOM 1057 O OG . SER A 1 134 ? 26.987 -1.759 -0.856 1.00 31.77 0 A 2 -ATOM 1058 N N . GLN A 1 135 ? 29.552 -0.847 0.866 1.00 24.07 0 A 2 -ATOM 1059 C CA . GLN A 1 135 ? 30.610 0.134 0.599 1.00 23.11 0 A 2 -ATOM 1060 C C . GLN A 1 135 ? 31.778 0.042 1.574 1.00 21.26 0 A 2 -ATOM 1061 O O . GLN A 1 135 ? 32.792 0.717 1.412 1.00 24.65 0 A 2 -ATOM 1062 C CB . GLN A 1 135 ? 30.028 1.539 0.597 1.00 22.43 0 A 2 -ATOM 1063 C CG . GLN A 1 135 ? 29.009 1.736 -0.491 1.00 25.74 0 A 2 -ATOM 1064 C CD . GLN A 1 135 ? 28.144 2.946 -0.247 1.00 34.49 0 A 2 -ATOM 1065 N NE2 . GLN A 1 135 ? 27.409 3.359 -1.273 1.00 31.85 0 A 2 -ATOM 1066 O OE1 . GLN A 1 135 ? 28.126 3.505 0.852 1.00 35.27 0 A 2 -ATOM 1067 N N . ASN A 1 136 ? 31.654 -0.824 2.570 1.00 26.24 0 A 2 -ATOM 1068 C CA . ASN A 1 136 ? 32.697 -0.987 3.565 1.00 23.91 0 A 2 -ATOM 1069 C C . ASN A 1 136 ? 33.199 -2.428 3.613 1.00 23.19 0 A 2 -ATOM 1070 O O . ASN A 1 136 ? 32.666 -3.261 4.332 1.00 20.02 0 A 2 -ATOM 1071 C CB . ASN A 1 136 ? 32.169 -0.546 4.936 1.00 23.14 0 A 2 -ATOM 1072 C CG . ASN A 1 136 ? 33.213 -0.655 6.033 1.00 18.43 0 A 2 -ATOM 1073 N ND2 . ASN A 1 136 ? 34.479 -0.471 5.676 1.00 18.88 0 A 2 -ATOM 1074 O OD1 . ASN A 1 136 ? 32.882 -0.845 7.200 1.00 22.95 0 A 2 -ATOM 1075 N N . GLN A 1 137 ? 34.226 -2.715 2.818 1.00 30.48 0 A 2 -ATOM 1076 C CA . GLN A 1 137 ? 34.833 -4.043 2.752 1.00 35.38 0 A 2 -ATOM 1077 C C . GLN A 1 137 ? 33.843 -5.159 2.476 1.00 34.39 0 A 2 -ATOM 1078 O O . GLN A 1 137 ? 33.921 -6.233 3.067 1.00 35.83 0 A 2 -ATOM 1079 C CB . GLN A 1 137 ? 35.613 -4.374 4.026 1.00 40.71 0 A 2 -ATOM 1080 C CG . GLN A 1 137 ? 36.799 -3.479 4.283 1.00 49.70 0 A 2 -ATOM 1081 C CD . GLN A 1 137 ? 37.728 -4.051 5.324 1.00 56.20 0 A 2 -ATOM 1082 N NE2 . GLN A 1 137 ? 38.935 -4.409 4.899 1.00 63.16 0 A 2 -ATOM 1083 O OE1 . GLN A 1 137 ? 37.369 -4.182 6.496 1.00 59.11 0 A 2 -ATOM 1084 N N . GLY A 1 138 ? 32.884 -4.876 1.608 1.00 32.06 0 A 2 -ATOM 1085 C CA . GLY A 1 138 ? 31.899 -5.878 1.250 1.00 31.36 0 A 2 -ATOM 1086 C C . GLY A 1 138 ? 31.026 -6.338 2.387 1.00 27.95 0 A 2 -ATOM 1087 O O . GLY A 1 138 ? 30.523 -7.457 2.365 1.00 32.30 0 A 2 -ATOM 1088 N N . GLY A 1 139 ? 30.857 -5.486 3.392 1.00 27.76 0 A 2 -ATOM 1089 C CA . GLY A 1 139 ? 30.020 -5.833 4.524 1.00 29.62 0 A 2 -ATOM 1090 C C . GLY A 1 139 ? 30.588 -6.928 5.403 1.00 30.31 0 A 2 -ATOM 1091 O O . GLY A 1 139 ? 29.869 -7.526 6.204 1.00 32.63 0 A 2 -ATOM 1092 N N . LYS A 1 140 ? 31.885 -7.171 5.289 1.00 31.25 0 A 2 -ATOM 1093 C CA . LYS A 1 140 ? 32.532 -8.209 6.075 1.00 28.63 0 A 2 -ATOM 1094 C C . LYS A 1 140 ? 32.838 -7.832 7.521 1.00 25.10 0 A 2 -ATOM 1095 O O . LYS A 1 140 ? 32.866 -8.706 8.386 1.00 23.68 0 A 2 -ATOM 1096 C CB . LYS A 1 140 ? 33.816 -8.664 5.374 1.00 38.49 0 A 2 -ATOM 1097 C CG . LYS A 1 140 ? 33.786 -10.103 4.893 1.00 45.35 0 A 2 -ATOM 1098 C CD . LYS A 1 140 ? 32.569 -10.374 4.024 1.00 54.87 0 A 2 -ATOM 1099 C CE . LYS A 1 140 ? 32.462 -11.855 3.683 1.00 61.70 0 A 2 -ATOM 1100 N NZ . LYS A 1 140 ? 31.275 -12.116 2.828 1.00 63.75 0 A 2 -ATOM 1101 N N . THR A 1 141 ? 33.077 -6.549 7.791 1.00 22.30 0 A 2 -ATOM 1102 C CA . THR A 1 141 ? 33.420 -6.137 9.145 1.00 22.12 0 A 2 -ATOM 1103 C C . THR A 1 141 ? 32.312 -5.438 9.931 1.00 24.90 0 A 2 -ATOM 1104 O O . THR A 1 141 ? 31.436 -6.116 10.479 1.00 20.04 0 A 2 -ATOM 1105 C CB . THR A 1 141 ? 34.715 -5.304 9.166 1.00 20.16 0 A 2 -ATOM 1106 C CG2 . THR A 1 141 ? 35.896 -6.148 8.686 1.00 19.92 0 A 2 -ATOM 1107 O OG1 . THR A 1 141 ? 34.566 -4.176 8.302 1.00 24.19 0 A 2 -ATOM 1108 N N . PHE A 1 142 ? 32.322 -4.104 9.972 1.00 24.06 0 A 2 -ATOM 1109 C CA . PHE A 1 142 ? 31.328 -3.350 10.737 1.00 14.11 0 A 2 -ATOM 1110 C C . PHE A 1 142 ? 30.607 -2.332 9.878 1.00 13.22 0 A 2 -ATOM 1111 O O . PHE A 1 142 ? 30.921 -2.193 8.699 1.00 18.13 0 A 2 -ATOM 1112 C CB . PHE A 1 142 ? 32.006 -2.701 11.949 1.00 8.66 0 A 2 -ATOM 1113 C CG . PHE A 1 142 ? 32.659 -3.701 12.861 1.00 11.23 0 A 2 -ATOM 1114 C CD1 . PHE A 1 142 ? 31.893 -4.490 13.713 1.00 15.29 0 A 2 -ATOM 1115 C CD2 . PHE A 1 142 ? 34.025 -3.897 12.830 1.00 9.81 0 A 2 -ATOM 1116 C CE1 . PHE A 1 142 ? 32.484 -5.461 14.521 1.00 16.60 0 A 2 -ATOM 1117 C CE2 . PHE A 1 142 ? 34.624 -4.866 13.630 1.00 11.20 0 A 2 -ATOM 1118 C CZ . PHE A 1 142 ? 33.852 -5.646 14.476 1.00 13.77 0 A 2 -ATOM 1119 N N . ILE A 1 143 ? 29.658 -1.605 10.451 1.00 11.57 0 A 2 -ATOM 1120 C CA . ILE A 1 143 ? 28.908 -0.637 9.658 1.00 14.47 0 A 2 -ATOM 1121 C C . ILE A 1 143 ? 29.769 0.510 9.124 1.00 13.79 0 A 2 -ATOM 1122 O O . ILE A 1 143 ? 29.466 1.091 8.084 1.00 17.62 0 A 2 -ATOM 1123 C CB . ILE A 1 143 ? 27.650 -0.116 10.399 1.00 13.56 0 A 2 -ATOM 1124 C CG1 . ILE A 1 143 ? 26.737 0.599 9.404 1.00 10.06 0 A 2 -ATOM 1125 C CG2 . ILE A 1 143 ? 28.024 0.808 11.544 1.00 8.18 0 A 2 -ATOM 1126 C CD1 . ILE A 1 143 ? 26.239 -0.283 8.277 1.00 15.67 0 A 2 -ATOM 1127 N N . VAL A 1 144 ? 30.832 0.835 9.851 1.00 15.47 0 A 2 -ATOM 1128 C CA . VAL A 1 144 ? 31.761 1.887 9.457 1.00 14.78 0 A 2 -ATOM 1129 C C . VAL A 1 144 ? 33.159 1.483 9.906 1.00 15.71 0 A 2 -ATOM 1130 O O . VAL A 1 144 ? 33.374 1.188 11.086 1.00 18.76 0 A 2 -ATOM 1131 C CB . VAL A 1 144 ? 31.440 3.242 10.136 1.00 16.32 0 A 2 -ATOM 1132 C CG1 . VAL A 1 144 ? 32.579 4.231 9.909 1.00 15.35 0 A 2 -ATOM 1133 C CG2 . VAL A 1 144 ? 30.136 3.812 9.599 1.00 11.41 0 A 2 -ATOM 1134 N N . GLY A 1 145 ? 34.103 1.502 8.971 1.00 15.97 0 A 2 -ATOM 1135 C CA . GLY A 1 145 ? 35.481 1.156 9.290 1.00 14.24 0 A 2 -ATOM 1136 C C . GLY A 1 145 ? 35.681 -0.309 9.604 1.00 16.29 0 A 2 -ATOM 1137 O O . GLY A 1 145 ? 34.833 -1.146 9.288 1.00 18.65 0 A 2 -ATOM 1138 N N . ASP A 1 146 ? 36.803 -0.641 10.230 1.00 22.54 0 A 2 -ATOM 1139 C CA . ASP A 1 146 ? 37.084 -2.034 10.565 1.00 30.65 0 A 2 -ATOM 1140 C C . ASP A 1 146 ? 37.012 -2.371 12.047 1.00 29.65 0 A 2 -ATOM 1141 O O . ASP A 1 146 ? 37.369 -3.471 12.458 1.00 28.68 0 A 2 -ATOM 1142 C CB . ASP A 1 146 ? 38.444 -2.452 9.997 1.00 37.31 0 A 2 -ATOM 1143 C CG . ASP A 1 146 ? 39.569 -1.497 10.380 1.00 43.55 0 A 2 -ATOM 1144 O OD1 . ASP A 1 146 ? 39.509 -0.880 11.465 1.00 45.41 0 A 2 -ATOM 1145 O OD2 . ASP A 1 146 ? 40.525 -1.373 9.585 1.00 49.65 0 A 2 -ATOM 1146 N N . GLN A 1 147 ? 36.566 -1.413 12.850 1.00 28.56 0 A 2 -ATOM 1147 C CA . GLN A 1 147 ? 36.437 -1.614 14.285 1.00 25.18 0 A 2 -ATOM 1148 C C . GLN A 1 147 ? 34.977 -1.342 14.611 1.00 20.70 0 A 2 -ATOM 1149 O O . GLN A 1 147 ? 34.332 -0.547 13.936 1.00 11.29 0 A 2 -ATOM 1150 C CB . GLN A 1 147 ? 37.355 -0.657 15.048 1.00 29.51 0 A 2 -ATOM 1151 C CG . GLN A 1 147 ? 37.255 0.793 14.573 1.00 46.36 0 A 2 -ATOM 1152 C CD . GLN A 1 147 ? 38.002 1.785 15.456 1.00 50.66 0 A 2 -ATOM 1153 N NE2 . GLN A 1 147 ? 37.448 2.065 16.635 1.00 48.79 0 A 2 -ATOM 1154 O OE1 . GLN A 1 147 ? 39.046 2.323 15.061 1.00 49.66 0 A 2 -ATOM 1155 N N . ILE A 1 148 ? 34.457 -2.013 15.631 1.00 22.06 0 A 2 -ATOM 1156 C CA . ILE A 1 148 ? 33.054 -1.843 16.015 1.00 21.02 0 A 2 -ATOM 1157 C C . ILE A 1 148 ? 32.782 -0.468 16.629 1.00 19.78 0 A 2 -ATOM 1158 O O . ILE A 1 148 ? 33.680 0.122 17.231 1.00 20.36 0 A 2 -ATOM 1159 C CB . ILE A 1 148 ? 32.631 -2.963 16.989 1.00 21.27 0 A 2 -ATOM 1160 C CG1 . ILE A 1 148 ? 31.124 -3.190 16.887 1.00 17.36 0 A 2 -ATOM 1161 C CG2 . ILE A 1 148 ? 33.044 -2.623 18.431 1.00 18.05 0 A 2 -ATOM 1162 C CD1 . ILE A 1 148 ? 30.646 -4.458 17.539 1.00 11.65 0 A 2 -ATOM 1163 N N . SER A 1 149 ? 31.542 0.024 16.513 1.00 16.67 0 A 2 -ATOM 1164 C CA . SER A 1 149 ? 31.172 1.333 17.051 1.00 11.93 0 A 2 -ATOM 1165 C C . SER A 1 149 ? 29.793 1.262 17.661 1.00 12.08 0 A 2 -ATOM 1166 O O . SER A 1 149 ? 29.045 0.330 17.380 1.00 17.21 0 A 2 -ATOM 1167 C CB . SER A 1 149 ? 31.178 2.388 15.951 1.00 13.43 0 A 2 -ATOM 1168 O OG . SER A 1 149 ? 30.105 2.181 15.059 1.00 19.78 0 A 2 -ATOM 1169 N N . PHE A 1 150 ? 29.411 2.276 18.430 1.00 15.90 0 A 2 -ATOM 1170 C CA . PHE A 1 150 ? 28.100 2.264 19.078 1.00 14.28 0 A 2 -ATOM 1171 C C . PHE A 1 150 ? 26.984 2.146 18.057 1.00 15.07 0 A 2 -ATOM 1172 O O . PHE A 1 150 ? 25.911 1.611 18.356 1.00 18.45 0 A 2 -ATOM 1173 C CB . PHE A 1 150 ? 27.900 3.504 19.979 1.00 6.01 0 A 2 -ATOM 1174 C CG . PHE A 1 150 ? 27.835 4.803 19.227 1.00 10.24 0 A 2 -ATOM 1175 C CD1 . PHE A 1 150 ? 28.993 5.524 18.968 1.00 7.79 0 A 2 -ATOM 1176 C CD2 . PHE A 1 150 ? 26.621 5.314 18.794 1.00 11.20 0 A 2 -ATOM 1177 C CE1 . PHE A 1 150 ? 28.942 6.723 18.292 1.00 4.86 0 A 2 -ATOM 1178 C CE2 . PHE A 1 150 ? 26.570 6.524 18.106 1.00 12.43 0 A 2 -ATOM 1179 C CZ . PHE A 1 150 ? 27.730 7.230 17.862 1.00 6.22 0 A 2 -ATOM 1180 N N . ALA A 1 151 ? 27.238 2.628 16.845 1.00 14.67 0 A 2 -ATOM 1181 C CA . ALA A 1 151 ? 26.234 2.566 15.793 1.00 9.86 0 A 2 -ATOM 1182 C C . ALA A 1 151 ? 25.937 1.113 15.461 1.00 13.64 0 A 2 -ATOM 1183 O O . ALA A 1 151 ? 24.796 0.773 15.153 1.00 18.49 0 A 2 -ATOM 1184 C CB . ALA A 1 151 ? 26.692 3.288 14.567 1.00 8.29 0 A 2 -ATOM 1185 N N . ASP A 1 152 ? 26.941 0.252 15.579 1.00 12.74 0 A 2 -ATOM 1186 C CA . ASP A 1 152 ? 26.762 -1.168 15.285 1.00 13.75 0 A 2 -ATOM 1187 C C . ASP A 1 152 ? 25.723 -1.790 16.213 1.00 15.55 0 A 2 -ATOM 1188 O O . ASP A 1 152 ? 24.763 -2.407 15.748 1.00 16.12 0 A 2 -ATOM 1189 C CB . ASP A 1 152 ? 28.078 -1.926 15.465 1.00 15.38 0 A 2 -ATOM 1190 C CG . ASP A 1 152 ? 29.038 -1.733 14.308 1.00 17.05 0 A 2 -ATOM 1191 O OD1 . ASP A 1 152 ? 28.714 -2.155 13.187 1.00 17.90 0 A 2 -ATOM 1192 O OD2 . ASP A 1 152 ? 30.124 -1.165 14.518 1.00 20.46 0 A 2 -ATOM 1193 N N . TYR A 1 153 ? 25.924 -1.607 17.522 1.00 13.19 0 A 2 -ATOM 1194 C CA . TYR A 1 153 ? 25.040 -2.154 18.555 1.00 10.85 0 A 2 -ATOM 1195 C C . TYR A 1 153 ? 23.624 -1.621 18.398 1.00 12.72 0 A 2 -ATOM 1196 O O . TYR A 1 153 ? 22.663 -2.385 18.525 1.00 12.65 0 A 2 -ATOM 1197 C CB . TYR A 1 153 ? 25.591 -1.855 19.966 1.00 11.09 0 A 2 -ATOM 1198 C CG . TYR A 1 153 ? 26.973 -2.455 20.291 1.00 15.15 0 A 2 -ATOM 1199 C CD1 . TYR A 1 153 ? 27.119 -3.785 20.694 1.00 10.58 0 A 2 -ATOM 1200 C CD2 . TYR A 1 153 ? 28.127 -1.668 20.249 1.00 12.66 0 A 2 -ATOM 1201 C CE1 . TYR A 1 153 ? 28.373 -4.302 21.046 1.00 8.48 0 A 2 -ATOM 1202 C CE2 . TYR A 1 153 ? 29.370 -2.180 20.595 1.00 10.43 0 A 2 -ATOM 1203 C CZ . TYR A 1 153 ? 29.481 -3.491 20.981 1.00 11.25 0 A 2 -ATOM 1204 O OH . TYR A 1 153 ? 30.746 -3.941 21.243 1.00 19.43 0 A 2 -ATOM 1205 N N . ASN A 1 154 ? 23.506 -0.356 18.001 1.00 13.16 0 A 2 -ATOM 1206 C CA . ASN A 1 154 ? 22.192 0.264 17.795 1.00 11.86 0 A 2 -ATOM 1207 C C . ASN A 1 154 ? 21.528 -0.320 16.539 1.00 11.31 0 A 2 -ATOM 1208 O O . ASN A 1 154 ? 20.362 -0.729 16.575 1.00 11.43 0 A 2 -ATOM 1209 C CB . ASN A 1 154 ? 22.323 1.777 17.674 1.00 11.48 0 A 2 -ATOM 1210 C CG . ASN A 1 154 ? 21.061 2.502 18.071 1.00 14.75 0 A 2 -ATOM 1211 N ND2 . ASN A 1 154 ? 20.086 1.768 18.591 1.00 6.38 0 A 2 -ATOM 1212 O OD1 . ASN A 1 154 ? 20.976 3.725 17.955 1.00 21.70 0 A 2 -ATOM 1213 N N . LEU A 1 155 ? 22.292 -0.416 15.455 1.00 13.15 0 A 2 -ATOM 1214 C CA . LEU A 1 155 ? 21.775 -0.982 14.209 1.00 14.55 0 A 2 -ATOM 1215 C C . LEU A 1 155 ? 21.429 -2.460 14.418 1.00 14.03 0 A 2 -ATOM 1216 O O . LEU A 1 155 ? 20.401 -2.931 13.936 1.00 19.73 0 A 2 -ATOM 1217 C CB . LEU A 1 155 ? 22.797 -0.857 13.078 1.00 15.19 0 A 2 -ATOM 1218 C CG . LEU A 1 155 ? 22.381 -1.556 11.776 1.00 13.54 0 A 2 -ATOM 1219 C CD1 . LEU A 1 155 ? 21.102 -0.951 11.237 1.00 18.54 0 A 2 -ATOM 1220 C CD2 . LEU A 1 155 ? 23.469 -1.446 10.753 1.00 10.60 0 A 2 -ATOM 1221 N N . LEU A 1 156 ? 22.269 -3.177 15.159 1.00 10.91 0 A 2 -ATOM 1222 C CA . LEU A 1 156 ? 22.024 -4.587 15.426 1.00 12.78 0 A 2 -ATOM 1223 C C . LEU A 1 156 ? 20.675 -4.731 16.106 1.00 12.99 0 A 2 -ATOM 1224 O O . LEU A 1 156 ? 19.826 -5.500 15.666 1.00 16.51 0 A 2 -ATOM 1225 C CB . LEU A 1 156 ? 23.117 -5.169 16.324 1.00 14.51 0 A 2 -ATOM 1226 C CG . LEU A 1 156 ? 22.848 -6.627 16.722 1.00 14.61 0 A 2 -ATOM 1227 C CD1 . LEU A 1 156 ? 22.664 -7.464 15.471 1.00 4.81 0 A 2 -ATOM 1228 C CD2 . LEU A 1 156 ? 23.987 -7.164 17.578 1.00 12.07 0 A 2 -ATOM 1229 N N . ASP A 1 157 ? 20.453 -3.945 17.149 1.00 13.61 0 A 2 -ATOM 1230 C CA . ASP A 1 157 ? 19.191 -4.004 17.864 1.00 11.27 0 A 2 -ATOM 1231 C C . ASP A 1 157 ? 18.033 -3.691 16.946 1.00 8.71 0 A 2 -ATOM 1232 O O . ASP A 1 157 ? 17.021 -4.393 16.956 1.00 14.18 0 A 2 -ATOM 1233 C CB . ASP A 1 157 ? 19.177 -3.050 19.057 1.00 12.35 0 A 2 -ATOM 1234 C CG . ASP A 1 157 ? 17.883 -3.127 19.835 1.00 16.63 0 A 2 -ATOM 1235 O OD1 . ASP A 1 157 ? 17.596 -4.206 20.393 1.00 20.35 0 A 2 -ATOM 1236 O OD2 . ASP A 1 157 ? 17.135 -2.129 19.859 1.00 19.29 0 A 2 -ATOM 1237 N N . LEU A 1 158 ? 18.174 -2.642 16.143 1.00 8.50 0 A 2 -ATOM 1238 C CA . LEU A 1 158 ? 17.119 -2.259 15.222 1.00 12.15 0 A 2 -ATOM 1239 C C . LEU A 1 158 ? 16.764 -3.488 14.380 1.00 11.76 0 A 2 -ATOM 1240 O O . LEU A 1 158 ? 15.597 -3.880 14.267 1.00 15.38 0 A 2 -ATOM 1241 C CB . LEU A 1 158 ? 17.612 -1.136 14.310 1.00 9.73 0 A 2 -ATOM 1242 C CG . LEU A 1 158 ? 16.573 -0.495 13.396 1.00 14.65 0 A 2 -ATOM 1243 C CD1 . LEU A 1 158 ? 15.553 0.229 14.248 1.00 12.92 0 A 2 -ATOM 1244 C CD2 . LEU A 1 158 ? 17.250 0.479 12.423 1.00 16.13 0 A 2 -ATOM 1245 N N . LEU A 1 159 ? 17.796 -4.111 13.830 1.00 12.20 0 A 2 -ATOM 1246 C CA . LEU A 1 159 ? 17.623 -5.282 12.990 1.00 10.97 0 A 2 -ATOM 1247 C C . LEU A 1 159 ? 16.921 -6.386 13.761 1.00 13.12 0 A 2 -ATOM 1248 O O . LEU A 1 159 ? 15.886 -6.886 13.321 1.00 17.52 0 A 2 -ATOM 1249 C CB . LEU A 1 159 ? 18.977 -5.754 12.449 1.00 6.80 0 A 2 -ATOM 1250 C CG . LEU A 1 159 ? 19.628 -4.708 11.534 1.00 8.80 0 A 2 -ATOM 1251 C CD1 . LEU A 1 159 ? 20.974 -5.190 11.044 1.00 3.64 0 A 2 -ATOM 1252 C CD2 . LEU A 1 159 ? 18.701 -4.368 10.358 1.00 7.07 0 A 2 -ATOM 1253 N N . LEU A 1 160 ? 17.422 -6.703 14.945 1.00 15.08 0 A 2 -ATOM 1254 C CA . LEU A 1 160 ? 16.808 -7.741 15.745 1.00 14.96 0 A 2 -ATOM 1255 C C . LEU A 1 160 ? 15.324 -7.509 15.981 1.00 18.02 0 A 2 -ATOM 1256 O O . LEU A 1 160 ? 14.501 -8.377 15.667 1.00 21.87 0 A 2 -ATOM 1257 C CB . LEU A 1 160 ? 17.524 -7.889 17.090 1.00 12.66 0 A 2 -ATOM 1258 C CG . LEU A 1 160 ? 18.942 -8.468 17.007 1.00 13.90 0 A 2 -ATOM 1259 C CD1 . LEU A 1 160 ? 19.583 -8.420 18.375 1.00 14.44 0 A 2 -ATOM 1260 C CD2 . LEU A 1 160 ? 18.910 -9.897 16.485 1.00 8.80 0 A 2 -ATOM 1261 N N . ILE A 1 161 ? 14.956 -6.317 16.440 1.00 21.24 0 A 2 -ATOM 1262 C CA . ILE A 1 161 ? 13.539 -6.078 16.734 1.00 20.05 0 A 2 -ATOM 1263 C C . ILE A 1 161 ? 12.690 -6.137 15.483 1.00 17.90 0 A 2 -ATOM 1264 O O . ILE A 1 161 ? 11.517 -6.497 15.543 1.00 15.99 0 A 2 -ATOM 1265 C CB . ILE A 1 161 ? 13.281 -4.749 17.483 1.00 15.47 0 A 2 -ATOM 1266 C CG1 . ILE A 1 161 ? 13.653 -3.545 16.615 1.00 17.10 0 A 2 -ATOM 1267 C CG2 . ILE A 1 161 ? 14.020 -4.742 18.789 1.00 10.74 0 A 2 -ATOM 1268 C CD1 . ILE A 1 161 ? 13.587 -2.235 17.350 1.00 13.71 0 A 2 -ATOM 1269 N N . HIS A 1 162 ? 13.293 -5.851 14.338 1.00 17.42 0 A 2 -ATOM 1270 C CA . HIS A 1 162 ? 12.526 -5.904 13.121 1.00 20.75 0 A 2 -ATOM 1271 C C . HIS A 1 162 ? 12.265 -7.326 12.660 1.00 22.73 0 A 2 -ATOM 1272 O O . HIS A 1 162 ? 11.197 -7.607 12.137 1.00 21.43 0 A 2 -ATOM 1273 C CB . HIS A 1 162 ? 13.136 -5.017 12.033 1.00 18.62 0 A 2 -ATOM 1274 C CG . HIS A 1 162 ? 12.746 -3.585 12.159 1.00 20.28 0 A 2 -ATOM 1275 C CD2 . HIS A 1 162 ? 11.683 -2.901 11.654 1.00 14.06 0 A 2 -ATOM 1276 N ND1 . HIS A 1 162 ? 13.407 -2.701 12.985 1.00 16.29 0 A 2 -ATOM 1277 C CE1 . HIS A 1 162 ? 12.766 -1.547 12.997 1.00 14.06 0 A 2 -ATOM 1278 N NE2 . HIS A 1 162 ? 11.713 -1.651 12.196 1.00 10.82 0 A 2 -ATOM 1279 N N . GLU A 1 163 ? 13.189 -8.235 12.953 1.00 17.62 0 A 2 -ATOM 1280 C CA . GLU A 1 163 ? 13.004 -9.631 12.561 1.00 24.14 0 A 2 -ATOM 1281 C C . GLU A 1 163 ? 11.787 -10.190 13.288 1.00 21.50 0 A 2 -ATOM 1282 O O . GLU A 1 163 ? 11.038 -10.994 12.745 1.00 23.44 0 A 2 -ATOM 1283 C CB . GLU A 1 163 ? 14.245 -10.476 12.884 1.00 25.02 0 A 2 -ATOM 1284 C CG . GLU A 1 163 ? 15.323 -10.441 11.800 1.00 32.38 0 A 2 -ATOM 1285 C CD . GLU A 1 163 ? 15.076 -11.441 10.667 1.00 39.96 0 A 2 -ATOM 1286 O OE1 . GLU A 1 163 ? 15.113 -12.661 10.938 1.00 43.34 0 A 2 -ATOM 1287 O OE2 . GLU A 1 163 ? 14.878 -11.018 9.504 1.00 35.46 0 A 2 -ATOM 1288 N N . VAL A 1 164 ? 11.582 -9.732 14.515 1.00 24.17 0 A 2 -ATOM 1289 C CA . VAL A 1 164 ? 10.449 -10.158 15.314 1.00 19.93 0 A 2 -ATOM 1290 C C . VAL A 1 164 ? 9.184 -9.542 14.745 1.00 20.76 0 A 2 -ATOM 1291 O O . VAL A 1 164 ? 8.161 -10.215 14.627 1.00 26.65 0 A 2 -ATOM 1292 C CB . VAL A 1 164 ? 10.618 -9.730 16.769 1.00 22.44 0 A 2 -ATOM 1293 C CG1 . VAL A 1 164 ? 9.357 -10.024 17.560 1.00 16.14 0 A 2 -ATOM 1294 C CG2 . VAL A 1 164 ? 11.814 -10.447 17.383 1.00 14.63 0 A 2 -ATOM 1295 N N . LEU A 1 165 ? 9.278 -8.272 14.365 1.00 19.96 0 A 2 -ATOM 1296 C CA . LEU A 1 165 ? 8.147 -7.553 13.802 1.00 17.74 0 A 2 -ATOM 1297 C C . LEU A 1 165 ? 7.730 -8.142 12.448 1.00 18.72 0 A 2 -ATOM 1298 O O . LEU A 1 165 ? 6.555 -8.385 12.191 1.00 15.88 0 A 2 -ATOM 1299 C CB . LEU A 1 165 ? 8.515 -6.082 13.631 1.00 19.36 0 A 2 -ATOM 1300 C CG . LEU A 1 165 ? 7.410 -5.187 13.070 1.00 22.16 0 A 2 -ATOM 1301 C CD1 . LEU A 1 165 ? 6.266 -5.073 14.082 1.00 13.13 0 A 2 -ATOM 1302 C CD2 . LEU A 1 165 ? 7.995 -3.824 12.749 1.00 15.95 0 A 2 -ATOM 1303 N N . ALA A 1 166 ? 8.705 -8.333 11.576 1.00 18.28 0 A 2 -ATOM 1304 C CA . ALA A 1 166 ? 8.458 -8.876 10.254 1.00 17.97 0 A 2 -ATOM 1305 C C . ALA A 1 166 ? 9.470 -9.980 10.016 1.00 19.36 0 A 2 -ATOM 1306 O O . ALA A 1 166 ? 10.512 -9.755 9.394 1.00 27.25 0 A 2 -ATOM 1307 C CB . ALA A 1 166 ? 8.620 -7.792 9.220 1.00 15.80 0 A 2 -ATOM 1308 N N . PRO A 1 167 ? 9.179 -11.195 10.501 1.00 21.81 0 A 2 -ATOM 1309 C CA . PRO A 1 167 ? 10.093 -12.327 10.322 1.00 22.48 0 A 2 -ATOM 1310 C C . PRO A 1 167 ? 10.555 -12.442 8.867 1.00 25.49 0 A 2 -ATOM 1311 O O . PRO A 1 167 ? 9.741 -12.400 7.945 1.00 29.29 0 A 2 -ATOM 1312 C CB . PRO A 1 167 ? 9.240 -13.528 10.735 1.00 20.23 0 A 2 -ATOM 1313 C CG . PRO A 1 167 ? 8.300 -12.954 11.756 1.00 12.89 0 A 2 -ATOM 1314 C CD . PRO A 1 167 ? 7.909 -11.623 11.136 1.00 17.95 0 A 2 -ATOM 1315 N N . GLY A 1 168 ? 11.866 -12.510 8.670 1.00 25.81 0 A 2 -ATOM 1316 C CA . GLY A 1 168 ? 12.405 -12.642 7.330 1.00 21.82 0 A 2 -ATOM 1317 C C . GLY A 1 168 ? 12.663 -11.374 6.535 1.00 20.75 0 A 2 -ATOM 1318 O O . GLY A 1 168 ? 13.161 -11.445 5.409 1.00 21.49 0 A 2 -ATOM 1319 N N . CYS A 1 169 ? 12.419 -10.216 7.134 1.00 21.15 0 A 2 -ATOM 1320 C CA . CYS A 1 169 ? 12.638 -8.943 6.444 1.00 21.47 0 A 2 -ATOM 1321 C C . CYS A 1 169 ? 14.100 -8.779 6.035 1.00 23.12 0 A 2 -ATOM 1322 O O . CYS A 1 169 ? 14.434 -7.893 5.244 1.00 29.31 0 A 2 -ATOM 1323 C CB . CYS A 1 169 ? 12.237 -7.793 7.357 1.00 18.54 0 A 2 -ATOM 1324 S SG . CYS A 1 169 ? 13.053 -7.918 8.952 1.00 16.50 0 A 2 -ATOM 1325 N N . LEU A 1 170 ? 14.976 -9.625 6.573 1.00 21.97 0 A 2 -ATOM 1326 C CA . LEU A 1 170 ? 16.389 -9.540 6.240 1.00 19.55 0 A 2 -ATOM 1327 C C . LEU A 1 170 ? 16.794 -10.501 5.132 1.00 20.60 0 A 2 -ATOM 1328 O O . LEU A 1 170 ? 17.922 -10.463 4.651 1.00 22.79 0 A 2 -ATOM 1329 C CB . LEU A 1 170 ? 17.239 -9.754 7.487 1.00 17.85 0 A 2 -ATOM 1330 C CG . LEU A 1 170 ? 17.920 -8.509 8.062 1.00 15.57 0 A 2 -ATOM 1331 C CD1 . LEU A 1 170 ? 17.034 -7.286 7.997 1.00 7.75 0 A 2 -ATOM 1332 C CD2 . LEU A 1 170 ? 18.317 -8.785 9.477 1.00 4.59 0 A 2 -ATOM 1333 N N . ASP A 1 171 ? 15.853 -11.322 4.676 1.00 21.29 0 A 2 -ATOM 1334 C CA . ASP A 1 171 ? 16.141 -12.286 3.615 1.00 22.57 0 A 2 -ATOM 1335 C C . ASP A 1 171 ? 16.614 -11.618 2.337 1.00 25.88 0 A 2 -ATOM 1336 O O . ASP A 1 171 ? 17.495 -12.140 1.642 1.00 28.80 0 A 2 -ATOM 1337 C CB . ASP A 1 171 ? 14.914 -13.145 3.310 1.00 29.10 0 A 2 -ATOM 1338 C CG . ASP A 1 171 ? 14.576 -14.116 4.435 1.00 28.36 0 A 2 -ATOM 1339 O OD1 . ASP A 1 171 ? 15.318 -14.175 5.443 1.00 30.27 0 A 2 -ATOM 1340 O OD2 . ASP A 1 171 ? 13.549 -14.823 4.301 1.00 30.48 0 A 2 -ATOM 1341 N N . ALA A 1 172 ? 16.051 -10.452 2.036 1.00 24.73 0 A 2 -ATOM 1342 C CA . ALA A 1 172 ? 16.421 -9.709 0.836 1.00 29.00 0 A 2 -ATOM 1343 C C . ALA A 1 172 ? 17.714 -8.922 1.014 1.00 23.65 0 A 2 -ATOM 1344 O O . ALA A 1 172 ? 18.183 -8.263 0.081 1.00 23.50 0 A 2 -ATOM 1345 C CB . ALA A 1 172 ? 15.301 -8.771 0.442 1.00 32.03 0 A 2 -ATOM 1346 N N . PHE A 1 173 ? 18.314 -9.024 2.195 1.00 25.82 0 A 2 -ATOM 1347 C CA . PHE A 1 173 ? 19.539 -8.297 2.504 1.00 22.53 0 A 2 -ATOM 1348 C C . PHE A 1 173 ? 20.608 -9.192 3.097 1.00 18.15 0 A 2 -ATOM 1349 O O . PHE A 1 173 ? 20.811 -9.218 4.309 1.00 22.08 0 A 2 -ATOM 1350 C CB . PHE A 1 173 ? 19.204 -7.158 3.468 1.00 19.01 0 A 2 -ATOM 1351 C CG . PHE A 1 173 ? 18.113 -6.267 2.968 1.00 19.17 0 A 2 -ATOM 1352 C CD1 . PHE A 1 173 ? 18.337 -5.405 1.896 1.00 21.07 0 A 2 -ATOM 1353 C CD2 . PHE A 1 173 ? 16.842 -6.315 3.523 1.00 20.84 0 A 2 -ATOM 1354 C CE1 . PHE A 1 173 ? 17.311 -4.618 1.380 1.00 17.13 0 A 2 -ATOM 1355 C CE2 . PHE A 1 173 ? 15.802 -5.535 3.014 1.00 15.16 0 A 2 -ATOM 1356 C CZ . PHE A 1 173 ? 16.042 -4.685 1.942 1.00 20.57 0 A 2 -ATOM 1357 N N . PRO A 1 174 ? 21.341 -9.908 2.234 1.00 17.65 0 A 2 -ATOM 1358 C CA . PRO A 1 174 ? 22.417 -10.832 2.626 1.00 18.87 0 A 2 -ATOM 1359 C C . PRO A 1 174 ? 23.484 -10.234 3.541 1.00 18.32 0 A 2 -ATOM 1360 O O . PRO A 1 174 ? 23.899 -10.875 4.515 1.00 24.48 0 A 2 -ATOM 1361 C CB . PRO A 1 174 ? 23.003 -11.264 1.276 1.00 21.61 0 A 2 -ATOM 1362 C CG . PRO A 1 174 ? 22.590 -10.151 0.330 1.00 23.67 0 A 2 -ATOM 1363 C CD . PRO A 1 174 ? 21.202 -9.841 0.772 1.00 15.50 0 A 2 -ATOM 1364 N N . LEU A 1 175 ? 23.936 -9.018 3.248 1.00 20.19 0 A 2 -ATOM 1365 C CA . LEU A 1 175 ? 24.956 -8.390 4.075 1.00 16.90 0 A 2 -ATOM 1366 C C . LEU A 1 175 ? 24.413 -8.158 5.486 1.00 18.86 0 A 2 -ATOM 1367 O O . LEU A 1 175 ? 25.048 -8.553 6.468 1.00 23.56 0 A 2 -ATOM 1368 C CB . LEU A 1 175 ? 25.450 -7.096 3.429 1.00 19.46 0 A 2 -ATOM 1369 C CG . LEU A 1 175 ? 26.662 -7.171 2.478 1.00 24.93 0 A 2 -ATOM 1370 C CD1 . LEU A 1 175 ? 26.842 -8.554 1.836 1.00 16.40 0 A 2 -ATOM 1371 C CD2 . LEU A 1 175 ? 26.531 -6.091 1.418 1.00 10.60 0 A 2 -ATOM 1372 N N . LEU A 1 176 ? 23.188 -7.644 5.584 1.00 18.17 0 A 2 -ATOM 1373 C CA . LEU A 1 176 ? 22.569 -7.397 6.891 1.00 18.84 0 A 2 -ATOM 1374 C C . LEU A 1 176 ? 22.396 -8.697 7.651 1.00 17.79 0 A 2 -ATOM 1375 O O . LEU A 1 176 ? 22.736 -8.773 8.831 1.00 22.22 0 A 2 -ATOM 1376 C CB . LEU A 1 176 ? 21.214 -6.702 6.746 1.00 14.67 0 A 2 -ATOM 1377 C CG . LEU A 1 176 ? 21.288 -5.227 6.342 1.00 17.03 0 A 2 -ATOM 1378 C CD1 . LEU A 1 176 ? 19.878 -4.648 6.179 1.00 12.88 0 A 2 -ATOM 1379 C CD2 . LEU A 1 176 ? 22.089 -4.433 7.379 1.00 17.88 0 A 2 -ATOM 1380 N N . SER A 1 177 ? 21.870 -9.715 6.974 1.00 16.53 0 A 2 -ATOM 1381 C CA . SER A 1 177 ? 21.674 -11.026 7.577 1.00 17.49 0 A 2 -ATOM 1382 C C . SER A 1 177 ? 22.980 -11.556 8.139 1.00 19.10 0 A 2 -ATOM 1383 O O . SER A 1 177 ? 23.044 -11.918 9.317 1.00 24.24 0 A 2 -ATOM 1384 C CB . SER A 1 177 ? 21.141 -12.017 6.551 1.00 15.49 0 A 2 -ATOM 1385 O OG . SER A 1 177 ? 19.852 -11.639 6.137 1.00 24.92 0 A 2 -ATOM 1386 N N . ALA A 1 178 ? 24.017 -11.590 7.311 1.00 13.97 0 A 2 -ATOM 1387 C CA . ALA A 1 178 ? 25.304 -12.093 7.774 1.00 19.98 0 A 2 -ATOM 1388 C C . ALA A 1 178 ? 25.837 -11.223 8.915 1.00 15.98 0 A 2 -ATOM 1389 O O . ALA A 1 178 ? 26.418 -11.740 9.866 1.00 19.18 0 A 2 -ATOM 1390 C CB . ALA A 1 178 ? 26.295 -12.152 6.632 1.00 15.35 0 A 2 -ATOM 1391 N N . TYR A 1 179 ? 25.584 -9.922 8.827 1.00 19.34 0 A 2 -ATOM 1392 C CA . TYR A 1 179 ? 26.028 -8.958 9.830 1.00 13.77 0 A 2 -ATOM 1393 C C . TYR A 1 179 ? 25.390 -9.316 11.173 1.00 13.15 0 A 2 -ATOM 1394 O O . TYR A 1 179 ? 26.083 -9.455 12.185 1.00 19.66 0 A 2 -ATOM 1395 C CB . TYR A 1 179 ? 25.634 -7.547 9.367 1.00 16.41 0 A 2 -ATOM 1396 C CG . TYR A 1 179 ? 25.822 -6.414 10.369 1.00 14.15 0 A 2 -ATOM 1397 C CD1 . TYR A 1 179 ? 27.019 -5.700 10.437 1.00 13.75 0 A 2 -ATOM 1398 C CD2 . TYR A 1 179 ? 24.762 -5.995 11.177 1.00 14.80 0 A 2 -ATOM 1399 C CE1 . TYR A 1 179 ? 27.158 -4.582 11.279 1.00 16.00 0 A 2 -ATOM 1400 C CE2 . TYR A 1 179 ? 24.885 -4.885 12.020 1.00 22.35 0 A 2 -ATOM 1401 C CZ . TYR A 1 179 ? 26.085 -4.183 12.065 1.00 20.37 0 A 2 -ATOM 1402 O OH . TYR A 1 179 ? 26.187 -3.059 12.853 1.00 16.77 0 A 2 -ATOM 1403 N N . VAL A 1 180 ? 24.077 -9.499 11.180 1.00 14.44 0 A 2 -ATOM 1404 C CA . VAL A 1 180 ? 23.385 -9.860 12.405 1.00 13.14 0 A 2 -ATOM 1405 C C . VAL A 1 180 ? 23.962 -11.142 12.996 1.00 16.32 0 A 2 -ATOM 1406 O O . VAL A 1 180 ? 24.337 -11.170 14.160 1.00 20.10 0 A 2 -ATOM 1407 C CB . VAL A 1 180 ? 21.889 -10.022 12.163 1.00 18.70 0 A 2 -ATOM 1408 C CG1 . VAL A 1 180 ? 21.200 -10.650 13.403 1.00 19.49 0 A 2 -ATOM 1409 C CG2 . VAL A 1 180 ? 21.287 -8.669 11.850 1.00 16.72 0 A 2 -ATOM 1410 N N . GLY A 1 181 ? 24.093 -12.178 12.180 1.00 13.08 0 A 2 -ATOM 1411 C CA . GLY A 1 181 ? 24.639 -13.433 12.675 1.00 15.06 0 A 2 -ATOM 1412 C C . GLY A 1 181 ? 26.034 -13.258 13.232 1.00 15.30 0 A 2 -ATOM 1413 O O . GLY A 1 181 ? 26.316 -13.638 14.367 1.00 22.69 0 A 2 -ATOM 1414 N N . ARG A 1 182 ? 26.890 -12.609 12.461 1.00 19.09 0 A 2 -ATOM 1415 C CA . ARG A 1 182 ? 28.274 -12.383 12.856 1.00 20.34 0 A 2 -ATOM 1416 C C . ARG A 1 182 ? 28.364 -11.666 14.199 1.00 23.71 0 A 2 -ATOM 1417 O O . ARG A 1 182 ? 29.009 -12.151 15.129 1.00 29.48 0 A 2 -ATOM 1418 C CB . ARG A 1 182 ? 28.980 -11.557 11.788 1.00 20.24 0 A 2 -ATOM 1419 C CG . ARG A 1 182 ? 30.469 -11.406 11.971 1.00 24.56 0 A 2 -ATOM 1420 C CD . ARG A 1 182 ? 30.975 -10.289 11.072 1.00 28.95 0 A 2 -ATOM 1421 N NE . ARG A 1 182 ? 30.571 -10.505 9.694 1.00 29.43 0 A 2 -ATOM 1422 C CZ . ARG A 1 182 ? 29.982 -9.597 8.923 1.00 30.47 0 A 2 -ATOM 1423 N NH1 . ARG A 1 182 ? 29.734 -8.373 9.381 1.00 24.53 0 A 2 -ATOM 1424 N NH2 . ARG A 1 182 ? 29.570 -9.946 7.713 1.00 32.56 0 A 2 -ATOM 1425 N N . LEU A 1 183 ? 27.703 -10.519 14.307 1.00 21.93 0 A 2 -ATOM 1426 C CA . LEU A 1 183 ? 27.742 -9.759 15.547 1.00 20.84 0 A 2 -ATOM 1427 C C . LEU A 1 183 ? 27.140 -10.544 16.701 1.00 21.95 0 A 2 -ATOM 1428 O O . LEU A 1 183 ? 27.702 -10.584 17.804 1.00 17.73 0 A 2 -ATOM 1429 C CB . LEU A 1 183 ? 27.019 -8.427 15.379 1.00 16.60 0 A 2 -ATOM 1430 C CG . LEU A 1 183 ? 27.782 -7.361 14.603 1.00 21.30 0 A 2 -ATOM 1431 C CD1 . LEU A 1 183 ? 27.066 -6.030 14.745 1.00 16.93 0 A 2 -ATOM 1432 C CD2 . LEU A 1 183 ? 29.174 -7.230 15.158 1.00 20.76 0 A 2 -ATOM 1433 N N . SER A 1 184 ? 26.019 -11.203 16.431 1.00 20.77 0 A 2 -ATOM 1434 C CA . SER A 1 184 ? 25.341 -12.001 17.435 1.00 17.87 0 A 2 -ATOM 1435 C C . SER A 1 184 ? 26.212 -13.148 17.927 1.00 22.67 0 A 2 -ATOM 1436 O O . SER A 1 184 ? 26.005 -13.675 19.025 1.00 23.53 0 A 2 -ATOM 1437 C CB . SER A 1 184 ? 24.047 -12.544 16.859 1.00 15.77 0 A 2 -ATOM 1438 O OG . SER A 1 184 ? 23.220 -11.477 16.439 1.00 20.71 0 A 2 -ATOM 1439 N N . ALA A 1 185 ? 27.195 -13.523 17.118 1.00 20.11 0 A 2 -ATOM 1440 C CA . ALA A 1 185 ? 28.096 -14.614 17.467 1.00 24.80 0 A 2 -ATOM 1441 C C . ALA A 1 185 ? 29.245 -14.197 18.376 1.00 23.83 0 A 2 -ATOM 1442 O O . ALA A 1 185 ? 29.929 -15.056 18.940 1.00 25.96 0 A 2 -ATOM 1443 C CB . ALA A 1 185 ? 28.638 -15.289 16.194 1.00 20.49 0 A 2 -ATOM 1444 N N . ARG A 1 186 ? 29.480 -12.897 18.509 1.00 24.54 0 A 2 -ATOM 1445 C CA . ARG A 1 186 ? 30.559 -12.422 19.380 1.00 23.60 0 A 2 -ATOM 1446 C C . ARG A 1 186 ? 30.321 -12.996 20.780 1.00 25.71 0 A 2 -ATOM 1447 O O . ARG A 1 186 ? 29.301 -12.715 21.410 1.00 26.85 0 A 2 -ATOM 1448 C CB . ARG A 1 186 ? 30.606 -10.900 19.384 1.00 20.03 0 A 2 -ATOM 1449 C CG . ARG A 1 186 ? 30.998 -10.328 18.026 1.00 23.55 0 A 2 -ATOM 1450 C CD . ARG A 1 186 ? 30.688 -8.840 17.921 1.00 23.99 0 A 2 -ATOM 1451 N NE . ARG A 1 186 ? 31.514 -8.017 18.798 1.00 26.93 0 A 2 -ATOM 1452 C CZ . ARG A 1 186 ? 32.681 -7.475 18.459 1.00 24.96 0 A 2 -ATOM 1453 N NH1 . ARG A 1 186 ? 33.221 -7.708 17.269 1.00 14.84 0 A 2 -ATOM 1454 N NH2 . ARG A 1 186 ? 33.339 -6.730 19.338 1.00 20.88 0 A 2 -ATOM 1455 N N . PRO A 1 187 ? 31.282 -13.780 21.299 1.00 29.00 0 A 2 -ATOM 1456 C CA . PRO A 1 187 ? 31.231 -14.433 22.617 1.00 25.00 0 A 2 -ATOM 1457 C C . PRO A 1 187 ? 30.444 -13.737 23.730 1.00 21.43 0 A 2 -ATOM 1458 O O . PRO A 1 187 ? 29.394 -14.224 24.131 1.00 27.36 0 A 2 -ATOM 1459 C CB . PRO A 1 187 ? 32.706 -14.616 22.963 1.00 28.54 0 A 2 -ATOM 1460 C CG . PRO A 1 187 ? 33.302 -14.915 21.635 1.00 25.97 0 A 2 -ATOM 1461 C CD . PRO A 1 187 ? 32.652 -13.875 20.742 1.00 29.13 0 A 2 -ATOM 1462 N N . LYS A 1 188 ? 30.945 -12.600 24.214 1.00 21.27 0 A 2 -ATOM 1463 C CA . LYS A 1 188 ? 30.283 -11.865 25.289 1.00 17.31 0 A 2 -ATOM 1464 C C . LYS A 1 188 ? 28.866 -11.448 24.923 1.00 11.65 0 A 2 -ATOM 1465 O O . LYS A 1 188 ? 27.959 -11.550 25.752 1.00 15.31 0 A 2 -ATOM 1466 C CB . LYS A 1 188 ? 31.118 -10.649 25.710 1.00 17.22 0 A 2 -ATOM 1467 C CG . LYS A 1 188 ? 32.447 -11.020 26.358 1.00 22.48 0 A 2 -ATOM 1468 C CD . LYS A 1 188 ? 33.248 -9.794 26.787 1.00 26.92 0 A 2 -ATOM 1469 C CE . LYS A 1 188 ? 34.691 -10.171 27.127 1.00 28.00 0 A 2 -ATOM 1470 N NZ . LYS A 1 188 ? 34.777 -11.159 28.242 1.00 40.95 0 A 2 -ATOM 1471 N N . LEU A 1 189 ? 28.666 -11.048 23.668 1.00 17.09 0 A 2 -ATOM 1472 C CA . LEU A 1 189 ? 27.356 -10.616 23.195 1.00 17.37 0 A 2 -ATOM 1473 C C . LEU A 1 189 ? 26.396 -11.795 23.161 1.00 18.18 0 A 2 -ATOM 1474 O O . LEU A 1 189 ? 25.275 -11.701 23.668 1.00 18.77 0 A 2 -ATOM 1475 C CB . LEU A 1 189 ? 27.442 -9.997 21.796 1.00 17.30 0 A 2 -ATOM 1476 C CG . LEU A 1 189 ? 26.709 -8.656 21.593 1.00 24.75 0 A 2 -ATOM 1477 C CD1 . LEU A 1 189 ? 26.519 -8.380 20.107 1.00 17.09 0 A 2 -ATOM 1478 C CD2 . LEU A 1 189 ? 25.366 -8.610 22.325 1.00 13.56 0 A 2 -ATOM 1479 N N . LYS A 1 190 ? 26.858 -12.906 22.589 1.00 19.19 0 A 2 -ATOM 1480 C CA . LYS A 1 190 ? 26.065 -14.130 22.476 1.00 16.19 0 A 2 -ATOM 1481 C C . LYS A 1 190 ? 25.554 -14.528 23.849 1.00 12.05 0 A 2 -ATOM 1482 O O . LYS A 1 190 ? 24.348 -14.649 24.064 1.00 18.11 0 A 2 -ATOM 1483 C CB . LYS A 1 190 ? 26.924 -15.250 21.899 1.00 20.88 0 A 2 -ATOM 1484 C CG . LYS A 1 190 ? 26.188 -16.546 21.638 1.00 21.24 0 A 2 -ATOM 1485 C CD . LYS A 1 190 ? 27.095 -17.505 20.877 1.00 29.87 0 A 2 -ATOM 1486 C CE . LYS A 1 190 ? 26.488 -18.893 20.772 1.00 33.81 0 A 2 -ATOM 1487 N NZ . LYS A 1 190 ? 27.308 -19.800 19.928 1.00 40.95 0 A 2 -ATOM 1488 N N . ALA A 1 191 ? 26.471 -14.653 24.798 1.00 15.48 0 A 2 -ATOM 1489 C CA . ALA A 1 191 ? 26.106 -15.025 26.164 1.00 18.01 0 A 2 -ATOM 1490 C C . ALA A 1 191 ? 25.074 -14.043 26.733 1.00 19.74 0 A 2 -ATOM 1491 O O . ALA A 1 191 ? 24.095 -14.456 27.346 1.00 25.31 0 A 2 -ATOM 1492 C CB . ALA A 1 191 ? 27.352 -15.068 27.051 1.00 11.01 0 A 2 -ATOM 1493 N N . PHE A 1 192 ? 25.271 -12.751 26.492 1.00 22.61 0 A 2 -ATOM 1494 C CA . PHE A 1 192 ? 24.335 -11.749 26.992 1.00 16.07 0 A 2 -ATOM 1495 C C . PHE A 1 192 ? 22.971 -11.944 26.361 1.00 13.15 0 A 2 -ATOM 1496 O O . PHE A 1 192 ? 21.963 -12.058 27.054 1.00 18.82 0 A 2 -ATOM 1497 C CB . PHE A 1 192 ? 24.833 -10.332 26.683 1.00 17.26 0 A 2 -ATOM 1498 C CG . PHE A 1 192 ? 23.855 -9.250 27.049 1.00 15.92 0 A 2 -ATOM 1499 C CD1 . PHE A 1 192 ? 23.535 -9.009 28.380 1.00 13.23 0 A 2 -ATOM 1500 C CD2 . PHE A 1 192 ? 23.253 -8.467 26.068 1.00 15.55 0 A 2 -ATOM 1501 C CE1 . PHE A 1 192 ? 22.644 -7.997 28.727 1.00 13.95 0 A 2 -ATOM 1502 C CE2 . PHE A 1 192 ? 22.354 -7.450 26.404 1.00 15.72 0 A 2 -ATOM 1503 C CZ . PHE A 1 192 ? 22.048 -7.217 27.734 1.00 11.02 0 A 2 -ATOM 1504 N N . LEU A 1 193 ? 22.948 -12.036 25.040 1.00 12.91 0 A 2 -ATOM 1505 C CA . LEU A 1 193 ? 21.699 -12.182 24.319 1.00 13.04 0 A 2 -ATOM 1506 C C . LEU A 1 193 ? 20.911 -13.410 24.715 1.00 15.69 0 A 2 -ATOM 1507 O O . LEU A 1 193 ? 19.687 -13.447 24.578 1.00 18.53 0 A 2 -ATOM 1508 C CB . LEU A 1 193 ? 21.972 -12.206 22.829 1.00 9.91 0 A 2 -ATOM 1509 C CG . LEU A 1 193 ? 22.419 -10.874 22.238 1.00 12.89 0 A 2 -ATOM 1510 C CD1 . LEU A 1 193 ? 22.896 -11.091 20.800 1.00 9.28 0 A 2 -ATOM 1511 C CD2 . LEU A 1 193 ? 21.274 -9.873 22.312 1.00 7.61 0 A 2 -ATOM 1512 N N . ALA A 1 194 ? 21.618 -14.430 25.165 1.00 17.81 0 A 2 -ATOM 1513 C CA . ALA A 1 194 ? 20.977 -15.670 25.555 1.00 16.79 0 A 2 -ATOM 1514 C C . ALA A 1 194 ? 20.622 -15.654 27.039 1.00 21.07 0 A 2 -ATOM 1515 O O . ALA A 1 194 ? 19.842 -16.492 27.502 1.00 22.26 0 A 2 -ATOM 1516 C CB . ALA A 1 194 ? 21.892 -16.854 25.232 1.00 13.98 0 A 2 -ATOM 1517 N N . SER A 1 195 ? 21.139 -14.670 27.773 1.00 20.79 0 A 2 -ATOM 1518 C CA . SER A 1 195 ? 20.885 -14.590 29.207 1.00 17.94 0 A 2 -ATOM 1519 C C . SER A 1 195 ? 19.461 -14.142 29.544 1.00 20.92 0 A 2 -ATOM 1520 O O . SER A 1 195 ? 18.826 -13.395 28.783 1.00 22.44 0 A 2 -ATOM 1521 C CB . SER A 1 195 ? 21.909 -13.668 29.886 1.00 14.00 0 A 2 -ATOM 1522 O OG . SER A 1 195 ? 21.539 -12.302 29.764 1.00 19.24 0 A 2 -ATOM 1523 N N . PRO A 1 196 ? 18.940 -14.595 30.701 1.00 22.11 0 A 2 -ATOM 1524 C CA . PRO A 1 196 ? 17.593 -14.269 31.190 1.00 21.05 0 A 2 -ATOM 1525 C C . PRO A 1 196 ? 17.412 -12.760 31.316 1.00 24.02 0 A 2 -ATOM 1526 O O . PRO A 1 196 ? 16.309 -12.238 31.143 1.00 24.92 0 A 2 -ATOM 1527 C CB . PRO A 1 196 ? 17.576 -14.910 32.579 1.00 20.75 0 A 2 -ATOM 1528 C CG . PRO A 1 196 ? 18.499 -16.068 32.429 1.00 18.33 0 A 2 -ATOM 1529 C CD . PRO A 1 196 ? 19.637 -15.495 31.644 1.00 14.63 0 A 2 -ATOM 1530 N N . GLU A 1 197 ? 18.514 -12.088 31.631 1.00 18.45 0 A 2 -ATOM 1531 C CA . GLU A 1 197 ? 18.587 -10.645 31.801 1.00 23.07 0 A 2 -ATOM 1532 C C . GLU A 1 197 ? 18.090 -9.905 30.554 1.00 23.66 0 A 2 -ATOM 1533 O O . GLU A 1 197 ? 17.558 -8.800 30.639 1.00 14.04 0 A 2 -ATOM 1534 C CB . GLU A 1 197 ? 20.038 -10.294 32.063 1.00 25.47 0 A 2 -ATOM 1535 C CG . GLU A 1 197 ? 20.292 -8.901 32.497 1.00 29.12 0 A 2 -ATOM 1536 C CD . GLU A 1 197 ? 21.764 -8.662 32.728 1.00 27.91 0 A 2 -ATOM 1537 O OE1 . GLU A 1 197 ? 22.442 -9.570 33.260 1.00 28.23 0 A 2 -ATOM 1538 O OE2 . GLU A 1 197 ? 22.243 -7.567 32.381 1.00 28.98 0 A 2 -ATOM 1539 N N . TYR A 1 198 ? 18.299 -10.521 29.400 1.00 26.34 0 A 2 -ATOM 1540 C CA . TYR A 1 198 ? 17.872 -9.964 28.129 1.00 19.93 0 A 2 -ATOM 1541 C C . TYR A 1 198 ? 16.616 -10.681 27.663 1.00 16.88 0 A 2 -ATOM 1542 O O . TYR A 1 198 ? 15.582 -10.062 27.452 1.00 16.68 0 A 2 -ATOM 1543 C CB . TYR A 1 198 ? 18.990 -10.138 27.086 1.00 15.44 0 A 2 -ATOM 1544 C CG . TYR A 1 198 ? 18.596 -9.741 25.686 1.00 13.26 0 A 2 -ATOM 1545 C CD1 . TYR A 1 198 ? 18.703 -8.426 25.261 1.00 7.00 0 A 2 -ATOM 1546 C CD2 . TYR A 1 198 ? 18.112 -10.694 24.777 1.00 22.20 0 A 2 -ATOM 1547 C CE1 . TYR A 1 198 ? 18.342 -8.050 23.963 1.00 17.77 0 A 2 -ATOM 1548 C CE2 . TYR A 1 198 ? 17.744 -10.331 23.473 1.00 22.62 0 A 2 -ATOM 1549 C CZ . TYR A 1 198 ? 17.864 -9.007 23.079 1.00 21.82 0 A 2 -ATOM 1550 O OH . TYR A 1 198 ? 17.495 -8.633 21.813 1.00 21.68 0 A 2 -ATOM 1551 N N . VAL A 1 199 ? 16.722 -11.998 27.542 1.00 19.25 0 A 2 -ATOM 1552 C CA . VAL A 1 199 ? 15.634 -12.848 27.059 1.00 21.89 0 A 2 -ATOM 1553 C C . VAL A 1 199 ? 14.297 -12.699 27.768 1.00 23.26 0 A 2 -ATOM 1554 O O . VAL A 1 199 ? 13.241 -12.758 27.141 1.00 21.82 0 A 2 -ATOM 1555 C CB . VAL A 1 199 ? 16.041 -14.343 27.093 1.00 21.45 0 A 2 -ATOM 1556 C CG1 . VAL A 1 199 ? 14.866 -15.220 26.707 1.00 20.93 0 A 2 -ATOM 1557 C CG2 . VAL A 1 199 ? 17.204 -14.600 26.142 1.00 19.98 0 A 2 -ATOM 1558 N N . ASN A 1 200 ? 14.325 -12.490 29.075 1.00 23.60 0 A 2 -ATOM 1559 C CA . ASN A 1 200 ? 13.079 -12.387 29.799 1.00 20.85 0 A 2 -ATOM 1560 C C . ASN A 1 200 ? 12.474 -10.999 29.902 1.00 21.30 0 A 2 -ATOM 1561 O O . ASN A 1 200 ? 11.513 -10.779 30.633 1.00 24.67 0 A 2 -ATOM 1562 C CB . ASN A 1 200 ? 13.221 -13.064 31.153 1.00 19.44 0 A 2 -ATOM 1563 C CG . ASN A 1 200 ? 13.474 -14.540 31.017 1.00 22.46 0 A 2 -ATOM 1564 N ND2 . ASN A 1 200 ? 14.214 -15.106 31.957 1.00 21.29 0 A 2 -ATOM 1565 O OD1 . ASN A 1 200 ? 13.044 -15.164 30.047 1.00 31.52 0 A 2 -ATOM 1566 N N . LEU A 1 201 ? 13.019 -10.069 29.135 1.00 20.16 0 A 2 -ATOM 1567 C CA . LEU A 1 201 ? 12.510 -8.707 29.117 1.00 15.39 0 A 2 -ATOM 1568 C C . LEU A 1 201 ? 11.703 -8.528 27.838 1.00 14.41 0 A 2 -ATOM 1569 O O . LEU A 1 201 ? 12.125 -8.969 26.768 1.00 17.44 0 A 2 -ATOM 1570 C CB . LEU A 1 201 ? 13.687 -7.729 29.104 1.00 16.42 0 A 2 -ATOM 1571 C CG . LEU A 1 201 ? 13.779 -6.702 30.222 1.00 18.28 0 A 2 -ATOM 1572 C CD1 . LEU A 1 201 ? 13.738 -7.389 31.592 1.00 16.60 0 A 2 -ATOM 1573 C CD2 . LEU A 1 201 ? 15.051 -5.902 30.064 1.00 11.18 0 A 2 -ATOM 1574 N N . PRO A 1 202 ? 10.500 -7.963 27.928 1.00 13.08 0 A 2 -ATOM 1575 C CA . PRO A 1 202 ? 9.747 -7.784 26.690 1.00 10.35 0 A 2 -ATOM 1576 C C . PRO A 1 202 ? 10.451 -6.685 25.892 1.00 12.51 0 A 2 -ATOM 1577 O O . PRO A 1 202 ? 11.110 -5.818 26.472 1.00 12.21 0 A 2 -ATOM 1578 C CB . PRO A 1 202 ? 8.382 -7.316 27.174 1.00 10.74 0 A 2 -ATOM 1579 C CG . PRO A 1 202 ? 8.716 -6.554 28.422 1.00 15.14 0 A 2 -ATOM 1580 C CD . PRO A 1 202 ? 9.755 -7.433 29.092 1.00 15.53 0 A 2 -ATOM 1581 N N . ILE A 1 203 ? 10.331 -6.733 24.570 1.00 14.64 0 A 2 -ATOM 1582 C CA . ILE A 1 203 ? 10.964 -5.731 23.718 1.00 18.09 0 A 2 -ATOM 1583 C C . ILE A 1 203 ? 10.401 -4.357 24.000 1.00 16.91 0 A 2 -ATOM 1584 O O . ILE A 1 203 ? 11.154 -3.392 24.177 1.00 22.08 0 A 2 -ATOM 1585 C CB . ILE A 1 203 ? 10.789 -6.064 22.229 1.00 12.61 0 A 2 -ATOM 1586 C CG1 . ILE A 1 203 ? 11.528 -7.367 21.922 1.00 14.04 0 A 2 -ATOM 1587 C CG2 . ILE A 1 203 ? 11.315 -4.934 21.382 1.00 12.72 0 A 2 -ATOM 1588 C CD1 . ILE A 1 203 ? 11.337 -7.892 20.519 1.00 7.30 0 A 2 -ATOM 1589 N N . ASN A 1 204 ? 9.076 -4.285 24.074 1.00 22.33 0 A 2 -ATOM 1590 C CA . ASN A 1 204 ? 8.374 -3.040 24.348 1.00 21.65 0 A 2 -ATOM 1591 C C . ASN A 1 204 ? 7.518 -3.158 25.621 1.00 19.86 0 A 2 -ATOM 1592 O O . ASN A 1 204 ? 7.292 -4.251 26.151 1.00 18.10 0 A 2 -ATOM 1593 C CB . ASN A 1 204 ? 7.506 -2.651 23.142 1.00 17.02 0 A 2 -ATOM 1594 C CG . ASN A 1 204 ? 8.291 -2.575 21.855 1.00 11.05 0 A 2 -ATOM 1595 N ND2 . ASN A 1 204 ? 9.275 -1.706 21.818 1.00 13.89 0 A 2 -ATOM 1596 O OD1 . ASN A 1 204 ? 8.041 -3.316 20.911 1.00 18.08 0 A 2 -ATOM 1597 N N . GLY A 1 205 ? 7.046 -2.018 26.098 1.00 23.47 0 A 2 -ATOM 1598 C CA . GLY A 1 205 ? 6.230 -1.990 27.296 1.00 24.35 0 A 2 -ATOM 1599 C C . GLY A 1 205 ? 4.742 -2.208 27.109 1.00 25.35 0 A 2 -ATOM 1600 O O . GLY A 1 205 ? 4.019 -2.301 28.101 1.00 27.32 0 A 2 -ATOM 1601 N N . ASN A 1 206 ? 4.248 -2.257 25.875 1.00 21.34 0 A 2 -ATOM 1602 C CA . ASN A 1 206 ? 2.817 -2.474 25.690 1.00 26.45 0 A 2 -ATOM 1603 C C . ASN A 1 206 ? 2.508 -3.898 25.249 1.00 25.96 0 A 2 -ATOM 1604 O O . ASN A 1 206 ? 1.374 -4.219 24.912 1.00 23.62 0 A 2 -ATOM 1605 C CB . ASN A 1 206 ? 2.216 -1.454 24.714 1.00 22.52 0 A 2 -ATOM 1606 C CG . ASN A 1 206 ? 2.664 -1.675 23.296 1.00 26.83 0 A 2 -ATOM 1607 N ND2 . ASN A 1 206 ? 1.976 -1.048 22.347 1.00 21.32 0 A 2 -ATOM 1608 O OD1 . ASN A 1 206 ? 3.631 -2.402 23.049 1.00 27.57 0 A 2 -ATOM 1609 N N . GLY A 1 207 ? 3.527 -4.748 25.253 1.00 31.10 0 A 2 -ATOM 1610 C CA . GLY A 1 207 ? 3.324 -6.124 24.856 1.00 33.70 0 A 2 -ATOM 1611 C C . GLY A 1 207 ? 3.229 -6.356 23.357 1.00 37.56 0 A 2 -ATOM 1612 O O . GLY A 1 207 ? 2.916 -7.469 22.927 1.00 41.24 0 A 2 -ATOM 1613 N N . LYS A 1 208 ? 3.493 -5.326 22.558 1.00 31.03 0 A 2 -ATOM 1614 C CA . LYS A 1 208 ? 3.437 -5.476 21.112 1.00 26.00 0 A 2 -ATOM 1615 C C . LYS A 1 208 ? 4.863 -5.525 20.592 1.00 27.27 0 A 2 -ATOM 1616 O O . LYS A 1 208 ? 5.755 -4.881 21.144 1.00 28.52 0 A 2 -ATOM 1617 C CB . LYS A 1 208 ? 2.654 -4.323 20.487 1.00 25.43 0 A 2 -ATOM 1618 C CG . LYS A 1 208 ? 1.175 -4.330 20.892 1.00 28.43 0 A 2 -ATOM 1619 C CD . LYS A 1 208 ? 0.390 -3.174 20.274 1.00 34.32 0 A 2 -ATOM 1620 C CE . LYS A 1 208 ? -1.119 -3.345 20.491 1.00 37.63 0 A 2 -ATOM 1621 N NZ . LYS A 1 208 ? -1.900 -2.178 19.981 1.00 33.62 0 A 2 -ATOM 1622 N N . GLN A 1 209 ? 5.095 -6.344 19.571 1.00 28.60 0 A 2 -ATOM 1623 C CA . GLN A 1 209 ? 6.426 -6.499 18.986 1.00 22.79 0 A 2 -ATOM 1624 C C . GLN A 1 209 ? 6.257 -7.097 17.588 1.00 23.91 0 A 2 -ATOM 1625 O O . GLN A 1 209 ? 7.278 -7.333 16.911 1.00 22.09 0 A 2 -ATOM 1626 C CB . GLN A 1 209 ? 7.263 -7.449 19.841 1.00 17.68 0 A 2 -ATOM 1627 C CG . GLN A 1 209 ? 6.595 -8.793 20.066 1.00 18.20 0 A 2 -ATOM 1628 C CD . GLN A 1 209 ? 7.527 -9.829 20.630 1.00 24.76 0 A 2 -ATOM 1629 N NE2 . GLN A 1 209 ? 7.438 -11.037 20.108 1.00 26.25 0 A 2 -ATOM 1630 O OE1 . GLN A 1 209 ? 8.327 -9.549 21.522 1.00 35.06 0 A 2 -ATOM 1631 O OXT . GLN A 1 209 ? 5.097 -7.352 17.201 1.00 24.47 0 A 2 -ATOM 1632 N N . PRO B 1 2 ? 35.615 23.269 0.086 1.00 43.81 0 B 2 -ATOM 1633 C CA . PRO B 1 2 ? 35.208 23.840 1.387 1.00 35.84 0 B 2 -ATOM 1634 C C . PRO B 1 2 ? 33.914 23.122 1.716 1.00 28.81 0 B 2 -ATOM 1635 O O . PRO B 1 2 ? 33.829 21.898 1.556 1.00 26.75 0 B 2 -ATOM 1636 C CB . PRO B 1 2 ? 34.975 25.321 1.133 1.00 42.67 0 B 2 -ATOM 1637 C CG . PRO B 1 2 ? 34.427 25.294 -0.289 1.00 47.29 0 B 2 -ATOM 1638 C CD . PRO B 1 2 ? 35.291 24.213 -0.990 1.00 48.49 0 B 2 -ATOM 1639 N N . TYR B 1 3 ? 32.900 23.865 2.129 1.00 19.91 0 B 2 -ATOM 1640 C CA . TYR B 1 3 ? 31.625 23.268 2.475 1.00 21.23 0 B 2 -ATOM 1641 C C . TYR B 1 3 ? 30.567 23.589 1.453 1.00 17.17 0 B 2 -ATOM 1642 O O . TYR B 1 3 ? 30.577 24.655 0.839 1.00 22.49 0 B 2 -ATOM 1643 C CB . TYR B 1 3 ? 31.132 23.797 3.815 1.00 18.07 0 B 2 -ATOM 1644 C CG . TYR B 1 3 ? 32.116 23.631 4.932 1.00 15.63 0 B 2 -ATOM 1645 C CD1 . TYR B 1 3 ? 32.491 22.356 5.379 1.00 16.43 0 B 2 -ATOM 1646 C CD2 . TYR B 1 3 ? 32.628 24.739 5.586 1.00 13.07 0 B 2 -ATOM 1647 C CE1 . TYR B 1 3 ? 33.351 22.203 6.456 1.00 15.65 0 B 2 -ATOM 1648 C CE2 . TYR B 1 3 ? 33.490 24.603 6.667 1.00 17.20 0 B 2 -ATOM 1649 C CZ . TYR B 1 3 ? 33.848 23.334 7.095 1.00 20.15 0 B 2 -ATOM 1650 O OH . TYR B 1 3 ? 34.708 23.178 8.155 1.00 22.06 0 B 2 -ATOM 1651 N N . THR B 1 4 ? 29.586 22.708 1.368 1.00 18.06 0 B 2 -ATOM 1652 C CA . THR B 1 4 ? 28.490 22.883 0.451 1.00 17.66 0 B 2 -ATOM 1653 C C . THR B 1 4 ? 27.259 22.248 1.078 1.00 19.05 0 B 2 -ATOM 1654 O O . THR B 1 4 ? 27.290 21.082 1.492 1.00 14.17 0 B 2 -ATOM 1655 C CB . THR B 1 4 ? 28.791 22.186 -0.888 1.00 22.48 0 B 2 -ATOM 1656 C CG2 . THR B 1 4 ? 27.604 22.323 -1.867 1.00 20.92 0 B 2 -ATOM 1657 O OG1 . THR B 1 4 ? 29.969 22.765 -1.462 1.00 27.68 0 B 2 -ATOM 1658 N N . VAL B 1 5 ? 26.203 23.037 1.243 1.00 21.39 0 B 2 -ATOM 1659 C CA . VAL B 1 5 ? 24.975 22.481 1.785 1.00 18.92 0 B 2 -ATOM 1660 C C . VAL B 1 5 ? 23.946 22.418 0.665 1.00 20.91 0 B 2 -ATOM 1661 O O . VAL B 1 5 ? 23.740 23.384 -0.076 1.00 22.15 0 B 2 -ATOM 1662 C CB . VAL B 1 5 ? 24.446 23.232 3.061 1.00 18.75 0 B 2 -ATOM 1663 C CG1 . VAL B 1 5 ? 25.461 24.252 3.563 1.00 12.77 0 B 2 -ATOM 1664 C CG2 . VAL B 1 5 ? 23.101 23.840 2.831 1.00 10.34 0 B 2 -ATOM 1665 N N . VAL B 1 6 ? 23.391 21.227 0.486 1.00 19.15 0 B 2 -ATOM 1666 C CA . VAL B 1 6 ? 22.400 20.973 -0.543 1.00 15.04 0 B 2 -ATOM 1667 C C . VAL B 1 6 ? 21.069 20.805 0.156 1.00 13.80 0 B 2 -ATOM 1668 O O . VAL B 1 6 ? 20.892 19.887 0.954 1.00 16.24 0 B 2 -ATOM 1669 C CB . VAL B 1 6 ? 22.744 19.699 -1.294 1.00 14.53 0 B 2 -ATOM 1670 C CG1 . VAL B 1 6 ? 21.741 19.464 -2.411 1.00 15.40 0 B 2 -ATOM 1671 C CG2 . VAL B 1 6 ? 24.182 19.786 -1.814 1.00 7.93 0 B 2 -ATOM 1672 N N . TYR B 1 7 ? 20.124 21.679 -0.152 1.00 11.33 0 B 2 -ATOM 1673 C CA . TYR B 1 7 ? 18.841 21.625 0.519 1.00 10.01 0 B 2 -ATOM 1674 C C . TYR B 1 7 ? 17.819 22.385 -0.294 1.00 14.20 0 B 2 -ATOM 1675 O O . TYR B 1 7 ? 18.128 22.926 -1.361 1.00 18.71 0 B 2 -ATOM 1676 C CB . TYR B 1 7 ? 19.007 22.316 1.869 1.00 10.80 0 B 2 -ATOM 1677 C CG . TYR B 1 7 ? 17.912 22.074 2.863 1.00 15.46 0 B 2 -ATOM 1678 C CD1 . TYR B 1 7 ? 17.612 20.790 3.296 1.00 15.32 0 B 2 -ATOM 1679 C CD2 . TYR B 1 7 ? 17.240 23.142 3.458 1.00 14.77 0 B 2 -ATOM 1680 C CE1 . TYR B 1 7 ? 16.676 20.570 4.295 1.00 11.99 0 B 2 -ATOM 1681 C CE2 . TYR B 1 7 ? 16.296 22.933 4.459 1.00 14.74 0 B 2 -ATOM 1682 C CZ . TYR B 1 7 ? 16.029 21.641 4.870 1.00 13.25 0 B 2 -ATOM 1683 O OH . TYR B 1 7 ? 15.098 21.430 5.851 1.00 11.16 0 B 2 -ATOM 1684 N N . PHE B 1 8 ? 16.590 22.393 0.208 1.00 18.11 0 B 2 -ATOM 1685 C CA . PHE B 1 8 ? 15.488 23.108 -0.419 1.00 20.72 0 B 2 -ATOM 1686 C C . PHE B 1 8 ? 15.583 24.572 0.000 1.00 21.52 0 B 2 -ATOM 1687 O O . PHE B 1 8 ? 16.346 24.917 0.909 1.00 20.79 0 B 2 -ATOM 1688 C CB . PHE B 1 8 ? 14.151 22.557 0.078 1.00 21.53 0 B 2 -ATOM 1689 C CG . PHE B 1 8 ? 14.013 21.085 -0.101 1.00 28.44 0 B 2 -ATOM 1690 C CD1 . PHE B 1 8 ? 13.751 20.544 -1.359 1.00 24.39 0 B 2 -ATOM 1691 C CD2 . PHE B 1 8 ? 14.171 20.231 0.984 1.00 27.57 0 B 2 -ATOM 1692 C CE1 . PHE B 1 8 ? 13.651 19.170 -1.534 1.00 26.63 0 B 2 -ATOM 1693 C CE2 . PHE B 1 8 ? 14.073 18.856 0.823 1.00 30.65 0 B 2 -ATOM 1694 C CZ . PHE B 1 8 ? 13.814 18.321 -0.441 1.00 32.00 0 B 2 -ATOM 1695 N N . PRO B 1 9 ? 14.820 25.458 -0.648 1.00 21.54 0 B 2 -ATOM 1696 C CA . PRO B 1 9 ? 14.901 26.869 -0.263 1.00 19.80 0 B 2 -ATOM 1697 C C . PRO B 1 9 ? 14.032 27.195 0.963 1.00 20.15 0 B 2 -ATOM 1698 O O . PRO B 1 9 ? 13.036 27.930 0.865 1.00 20.07 0 B 2 -ATOM 1699 C CB . PRO B 1 9 ? 14.424 27.589 -1.515 1.00 23.28 0 B 2 -ATOM 1700 C CG . PRO B 1 9 ? 13.336 26.648 -2.013 1.00 24.91 0 B 2 -ATOM 1701 C CD . PRO B 1 9 ? 13.991 25.283 -1.864 1.00 20.14 0 B 2 -ATOM 1702 N N . VAL B 1 10 ? 14.407 26.628 2.105 1.00 24.02 0 B 2 -ATOM 1703 C CA . VAL B 1 10 ? 13.715 26.842 3.381 1.00 20.78 0 B 2 -ATOM 1704 C C . VAL B 1 10 ? 14.797 26.743 4.458 1.00 21.86 0 B 2 -ATOM 1705 O O . VAL B 1 10 ? 15.868 26.170 4.219 1.00 21.71 0 B 2 -ATOM 1706 C CB . VAL B 1 10 ? 12.645 25.754 3.675 1.00 20.30 0 B 2 -ATOM 1707 C CG1 . VAL B 1 10 ? 11.716 25.568 2.483 1.00 21.54 0 B 2 -ATOM 1708 C CG2 . VAL B 1 10 ? 13.304 24.435 4.020 1.00 25.11 0 B 2 -ATOM 1709 N N . ARG B 1 11 ? 14.535 27.302 5.632 1.00 14.84 0 B 2 -ATOM 1710 C CA . ARG B 1 11 ? 15.518 27.236 6.700 1.00 19.38 0 B 2 -ATOM 1711 C C . ARG B 1 11 ? 15.538 25.803 7.221 1.00 16.20 0 B 2 -ATOM 1712 O O . ARG B 1 11 ? 16.562 25.106 7.133 1.00 14.67 0 B 2 -ATOM 1713 C CB . ARG B 1 11 ? 15.170 28.242 7.800 1.00 15.30 0 B 2 -ATOM 1714 C CG . ARG B 1 11 ? 15.108 29.654 7.281 1.00 13.72 0 B 2 -ATOM 1715 C CD . ARG B 1 11 ? 14.822 30.669 8.365 1.00 17.28 0 B 2 -ATOM 1716 N NE . ARG B 1 11 ? 14.541 31.959 7.760 1.00 18.48 0 B 2 -ATOM 1717 C CZ . ARG B 1 11 ? 13.823 32.919 8.326 1.00 13.13 0 B 2 -ATOM 1718 N NH1 . ARG B 1 11 ? 13.308 32.737 9.531 1.00 17.59 0 B 2 -ATOM 1719 N NH2 . ARG B 1 11 ? 13.587 34.037 7.668 1.00 19.79 0 B 2 -ATOM 1720 N N . GLY B 1 12 ? 14.385 25.375 7.726 1.00 14.97 0 B 2 -ATOM 1721 C CA . GLY B 1 12 ? 14.221 24.028 8.238 1.00 16.27 0 B 2 -ATOM 1722 C C . GLY B 1 12 ? 15.431 23.469 8.963 1.00 16.27 0 B 2 -ATOM 1723 O O . GLY B 1 12 ? 16.058 24.156 9.766 1.00 18.48 0 B 2 -ATOM 1724 N N . ARG B 1 13 ? 15.838 22.264 8.584 1.00 13.50 0 B 2 -ATOM 1725 C CA . ARG B 1 13 ? 16.949 21.586 9.237 1.00 13.12 0 B 2 -ATOM 1726 C C . ARG B 1 13 ? 18.342 22.079 8.893 1.00 14.05 0 B 2 -ATOM 1727 O O . ARG B 1 13 ? 19.334 21.477 9.307 1.00 13.51 0 B 2 -ATOM 1728 C CB . ARG B 1 13 ? 16.832 20.082 9.010 1.00 9.15 0 B 2 -ATOM 1729 C CG . ARG B 1 13 ? 15.657 19.489 9.744 1.00 4.44 0 B 2 -ATOM 1730 C CD . ARG B 1 13 ? 15.613 17.987 9.611 1.00 12.73 0 B 2 -ATOM 1731 N NE . ARG B 1 13 ? 14.735 17.368 10.611 1.00 19.02 0 B 2 -ATOM 1732 C CZ . ARG B 1 13 ? 15.111 17.047 11.850 1.00 12.00 0 B 2 -ATOM 1733 N NH1 . ARG B 1 13 ? 16.348 17.286 12.266 1.00 10.75 0 B 2 -ATOM 1734 N NH2 . ARG B 1 13 ? 14.247 16.485 12.680 1.00 13.35 0 B 2 -ATOM 1735 N N . CYS B 1 14 ? 18.437 23.169 8.147 1.00 10.29 0 B 2 -ATOM 1736 C CA . CYS B 1 14 ? 19.755 23.699 7.802 1.00 15.69 0 B 2 -ATOM 1737 C C . CYS B 1 14 ? 20.037 25.015 8.515 1.00 10.57 0 B 2 -ATOM 1738 O O . CYS B 1 14 ? 21.192 25.438 8.628 1.00 17.13 0 B 2 -ATOM 1739 C CB . CYS B 1 14 ? 19.877 23.892 6.285 1.00 14.82 0 B 2 -ATOM 1740 S SG . CYS B 1 14 ? 19.860 22.369 5.331 1.00 19.67 0 B 2 -ATOM 1741 N N . ALA B 1 15 ? 18.990 25.622 9.061 1.00 13.71 0 B 2 -ATOM 1742 C CA . ALA B 1 15 ? 19.094 26.900 9.739 1.00 13.88 0 B 2 -ATOM 1743 C C . ALA B 1 15 ? 20.205 26.939 10.774 1.00 11.11 0 B 2 -ATOM 1744 O O . ALA B 1 15 ? 21.083 27.799 10.717 1.00 16.99 0 B 2 -ATOM 1745 C CB . ALA B 1 15 ? 17.751 27.262 10.362 1.00 6.58 0 B 2 -ATOM 1746 N N . ALA B 1 16 ? 20.205 25.962 11.671 1.00 14.29 0 B 2 -ATOM 1747 C CA . ALA B 1 16 ? 21.208 25.906 12.723 1.00 11.83 0 B 2 -ATOM 1748 C C . ALA B 1 16 ? 22.618 25.831 12.187 1.00 15.77 0 B 2 -ATOM 1749 O O . ALA B 1 16 ? 23.441 26.720 12.447 1.00 17.33 0 B 2 -ATOM 1750 C CB . ALA B 1 16 ? 20.948 24.755 13.654 1.00 9.46 0 B 2 -ATOM 1751 N N . LEU B 1 17 ? 22.883 24.818 11.366 1.00 18.54 0 B 2 -ATOM 1752 C CA . LEU B 1 17 ? 24.229 24.612 10.828 1.00 15.95 0 B 2 -ATOM 1753 C C . LEU B 1 17 ? 24.709 25.814 10.023 1.00 10.49 0 B 2 -ATOM 1754 O O . LEU B 1 17 ? 25.906 26.039 9.905 1.00 16.44 0 B 2 -ATOM 1755 C CB . LEU B 1 17 ? 24.294 23.312 10.000 1.00 12.67 0 B 2 -ATOM 1756 C CG . LEU B 1 17 ? 23.483 23.181 8.715 1.00 11.14 0 B 2 -ATOM 1757 C CD1 . LEU B 1 17 ? 24.343 23.553 7.548 1.00 3.24 0 B 2 -ATOM 1758 C CD2 . LEU B 1 17 ? 22.990 21.748 8.523 1.00 12.33 0 B 2 -ATOM 1759 N N . ARG B 1 18 ? 23.772 26.553 9.444 1.00 11.81 0 B 2 -ATOM 1760 C CA . ARG B 1 18 ? 24.113 27.742 8.682 1.00 12.23 0 B 2 -ATOM 1761 C C . ARG B 1 18 ? 24.539 28.819 9.666 1.00 10.45 0 B 2 -ATOM 1762 O O . ARG B 1 18 ? 25.533 29.516 9.446 1.00 16.59 0 B 2 -ATOM 1763 C CB . ARG B 1 18 ? 22.912 28.211 7.872 1.00 8.73 0 B 2 -ATOM 1764 C CG . ARG B 1 18 ? 22.645 27.356 6.692 1.00 7.20 0 B 2 -ATOM 1765 C CD . ARG B 1 18 ? 21.323 27.710 6.101 1.00 13.69 0 B 2 -ATOM 1766 N NE . ARG B 1 18 ? 21.159 27.107 4.785 1.00 13.61 0 B 2 -ATOM 1767 C CZ . ARG B 1 18 ? 19.984 26.767 4.271 1.00 10.96 0 B 2 -ATOM 1768 N NH1 . ARG B 1 18 ? 18.874 26.945 4.973 1.00 12.63 0 B 2 -ATOM 1769 N NH2 . ARG B 1 18 ? 19.911 26.317 3.034 1.00 14.54 0 B 2 -ATOM 1770 N N . MET B 1 19 ? 23.803 28.933 10.766 1.00 13.30 0 B 2 -ATOM 1771 C CA . MET B 1 19 ? 24.139 29.923 11.783 1.00 10.84 0 B 2 -ATOM 1772 C C . MET B 1 19 ? 25.549 29.658 12.268 1.00 12.29 0 B 2 -ATOM 1773 O O . MET B 1 19 ? 26.364 30.575 12.349 1.00 16.25 0 B 2 -ATOM 1774 C CB . MET B 1 19 ? 23.160 29.858 12.954 1.00 7.48 0 B 2 -ATOM 1775 C CG . MET B 1 19 ? 21.748 30.216 12.570 1.00 11.33 0 B 2 -ATOM 1776 S SD . MET B 1 19 ? 20.687 30.484 14.000 1.00 20.62 0 B 2 -ATOM 1777 C CE . MET B 1 19 ? 20.561 28.901 14.569 1.00 23.54 0 B 2 -ATOM 1778 N N . LEU B 1 20 ? 25.848 28.382 12.499 1.00 14.03 0 B 2 -ATOM 1779 C CA . LEU B 1 20 ? 27.159 27.952 12.981 1.00 14.46 0 B 2 -ATOM 1780 C C . LEU B 1 20 ? 28.256 28.412 12.045 1.00 11.96 0 B 2 -ATOM 1781 O O . LEU B 1 20 ? 29.163 29.129 12.454 1.00 22.84 0 B 2 -ATOM 1782 C CB . LEU B 1 20 ? 27.200 26.421 13.148 1.00 8.64 0 B 2 -ATOM 1783 C CG . LEU B 1 20 ? 28.427 25.773 13.796 1.00 5.60 0 B 2 -ATOM 1784 C CD1 . LEU B 1 20 ? 28.015 24.416 14.385 1.00 10.58 0 B 2 -ATOM 1785 C CD2 . LEU B 1 20 ? 29.570 25.592 12.799 1.00 2.05 0 B 2 -ATOM 1786 N N . LEU B 1 21 ? 28.179 27.978 10.795 1.00 13.96 0 B 2 -ATOM 1787 C CA . LEU B 1 21 ? 29.177 28.325 9.781 1.00 14.99 0 B 2 -ATOM 1788 C C . LEU B 1 21 ? 29.422 29.822 9.724 1.00 18.05 0 B 2 -ATOM 1789 O O . LEU B 1 21 ? 30.558 30.282 9.833 1.00 19.87 0 B 2 -ATOM 1790 C CB . LEU B 1 21 ? 28.706 27.834 8.416 1.00 11.76 0 B 2 -ATOM 1791 C CG . LEU B 1 21 ? 28.785 26.320 8.308 1.00 11.56 0 B 2 -ATOM 1792 C CD1 . LEU B 1 21 ? 28.014 25.820 7.115 1.00 14.81 0 B 2 -ATOM 1793 C CD2 . LEU B 1 21 ? 30.234 25.911 8.239 1.00 6.15 0 B 2 -ATOM 1794 N N . ALA B 1 22 ? 28.333 30.574 9.605 1.00 23.60 0 B 2 -ATOM 1795 C CA . ALA B 1 22 ? 28.390 32.025 9.536 1.00 21.34 0 B 2 -ATOM 1796 C C . ALA B 1 22 ? 29.101 32.579 10.762 1.00 20.82 0 B 2 -ATOM 1797 O O . ALA B 1 22 ? 30.104 33.285 10.641 1.00 22.49 0 B 2 -ATOM 1798 C CB . ALA B 1 22 ? 26.976 32.596 9.436 1.00 17.23 0 B 2 -ATOM 1799 N N . ASP B 1 23 ? 28.608 32.203 11.940 1.00 18.61 0 B 2 -ATOM 1800 C CA . ASP B 1 23 ? 29.175 32.675 13.192 1.00 16.42 0 B 2 -ATOM 1801 C C . ASP B 1 23 ? 30.639 32.303 13.321 1.00 19.05 0 B 2 -ATOM 1802 O O . ASP B 1 23 ? 31.425 33.071 13.879 1.00 20.06 0 B 2 -ATOM 1803 C CB . ASP B 1 23 ? 28.394 32.138 14.404 1.00 22.68 0 B 2 -ATOM 1804 C CG . ASP B 1 23 ? 28.571 33.008 15.676 1.00 23.00 0 B 2 -ATOM 1805 O OD1 . ASP B 1 23 ? 28.608 34.254 15.542 1.00 25.24 0 B 2 -ATOM 1806 O OD2 . ASP B 1 23 ? 28.671 32.446 16.789 1.00 20.31 0 B 2 -ATOM 1807 N N . GLN B 1 24 ? 31.012 31.142 12.790 1.00 18.07 0 B 2 -ATOM 1808 C CA . GLN B 1 24 ? 32.401 30.691 12.881 1.00 17.60 0 B 2 -ATOM 1809 C C . GLN B 1 24 ? 33.284 31.262 11.791 1.00 14.83 0 B 2 -ATOM 1810 O O . GLN B 1 24 ? 34.457 30.908 11.695 1.00 20.83 0 B 2 -ATOM 1811 C CB . GLN B 1 24 ? 32.478 29.159 12.904 1.00 19.14 0 B 2 -ATOM 1812 C CG . GLN B 1 24 ? 31.924 28.534 14.197 1.00 15.09 0 B 2 -ATOM 1813 C CD . GLN B 1 24 ? 32.561 29.095 15.465 1.00 12.90 0 B 2 -ATOM 1814 N NE2 . GLN B 1 24 ? 33.884 29.127 15.495 1.00 13.81 0 B 2 -ATOM 1815 O OE1 . GLN B 1 24 ? 31.868 29.482 16.415 1.00 12.05 0 B 2 -ATOM 1816 N N . GLY B 1 25 ? 32.714 32.147 10.978 1.00 22.04 0 B 2 -ATOM 1817 C CA . GLY B 1 25 ? 33.464 32.791 9.918 1.00 20.10 0 B 2 -ATOM 1818 C C . GLY B 1 25 ? 33.798 31.841 8.793 1.00 23.51 0 B 2 -ATOM 1819 O O . GLY B 1 25 ? 34.771 32.037 8.068 1.00 28.36 0 B 2 -ATOM 1820 N N . GLN B 1 26 ? 33.005 30.791 8.661 1.00 22.95 0 B 2 -ATOM 1821 C CA . GLN B 1 26 ? 33.241 29.804 7.626 1.00 22.49 0 B 2 -ATOM 1822 C C . GLN B 1 26 ? 32.518 30.154 6.333 1.00 24.12 0 B 2 -ATOM 1823 O O . GLN B 1 26 ? 31.481 30.821 6.347 1.00 26.60 0 B 2 -ATOM 1824 C CB . GLN B 1 26 ? 32.818 28.418 8.126 1.00 22.18 0 B 2 -ATOM 1825 C CG . GLN B 1 26 ? 33.570 27.955 9.374 1.00 19.74 0 B 2 -ATOM 1826 C CD . GLN B 1 26 ? 35.075 27.896 9.168 1.00 23.50 0 B 2 -ATOM 1827 N NE2 . GLN B 1 26 ? 35.832 28.146 10.227 1.00 23.87 0 B 2 -ATOM 1828 O OE1 . GLN B 1 26 ? 35.553 27.648 8.062 1.00 32.26 0 B 2 -ATOM 1829 N N . SER B 1 27 ? 33.066 29.704 5.210 1.00 30.00 0 B 2 -ATOM 1830 C CA . SER B 1 27 ? 32.459 29.962 3.903 1.00 28.75 0 B 2 -ATOM 1831 C C . SER B 1 27 ? 31.845 28.680 3.353 1.00 26.59 0 B 2 -ATOM 1832 O O . SER B 1 27 ? 32.437 27.604 3.480 1.00 23.02 0 B 2 -ATOM 1833 C CB . SER B 1 27 ? 33.522 30.467 2.913 1.00 30.97 0 B 2 -ATOM 1834 O OG . SER B 1 27 ? 33.929 31.802 3.185 1.00 34.30 0 B 2 -ATOM 1835 N N . TRP B 1 28 ? 30.686 28.798 2.711 1.00 21.76 0 B 2 -ATOM 1836 C CA . TRP B 1 28 ? 30.047 27.626 2.137 1.00 20.45 0 B 2 -ATOM 1837 C C . TRP B 1 28 ? 29.215 27.942 0.895 1.00 19.73 0 B 2 -ATOM 1838 O O . TRP B 1 28 ? 28.760 29.062 0.693 1.00 17.27 0 B 2 -ATOM 1839 C CB . TRP B 1 28 ? 29.193 26.909 3.187 1.00 14.02 0 B 2 -ATOM 1840 C CG . TRP B 1 28 ? 27.924 27.599 3.532 1.00 11.82 0 B 2 -ATOM 1841 C CD1 . TRP B 1 28 ? 26.675 27.286 3.075 1.00 14.47 0 B 2 -ATOM 1842 C CD2 . TRP B 1 28 ? 27.754 28.667 4.472 1.00 10.80 0 B 2 -ATOM 1843 C CE2 . TRP B 1 28 ? 26.372 28.939 4.538 1.00 8.72 0 B 2 -ATOM 1844 C CE3 . TRP B 1 28 ? 28.639 29.419 5.253 1.00 13.17 0 B 2 -ATOM 1845 N NE1 . TRP B 1 28 ? 25.740 28.085 3.681 1.00 12.74 0 B 2 -ATOM 1846 C CZ2 . TRP B 1 28 ? 25.847 29.932 5.375 1.00 7.25 0 B 2 -ATOM 1847 C CZ3 . TRP B 1 28 ? 28.117 30.403 6.079 1.00 12.31 0 B 2 -ATOM 1848 C CH2 . TRP B 1 28 ? 26.730 30.650 6.129 1.00 12.18 0 B 2 -ATOM 1849 N N . LYS B 1 29 ? 29.010 26.928 0.077 1.00 19.11 0 B 2 -ATOM 1850 C CA . LYS B 1 29 ? 28.245 27.056 -1.143 1.00 23.10 0 B 2 -ATOM 1851 C C . LYS B 1 29 ? 26.859 26.486 -0.891 1.00 25.89 0 B 2 -ATOM 1852 O O . LYS B 1 29 ? 26.698 25.464 -0.204 1.00 24.44 0 B 2 -ATOM 1853 C CB . LYS B 1 29 ? 28.953 26.276 -2.258 1.00 29.87 0 B 2 -ATOM 1854 C CG . LYS B 1 29 ? 28.074 25.783 -3.393 1.00 41.03 0 B 2 -ATOM 1855 C CD . LYS B 1 29 ? 27.851 26.827 -4.471 1.00 54.60 0 B 2 -ATOM 1856 C CE . LYS B 1 29 ? 26.983 26.248 -5.579 1.00 60.22 0 B 2 -ATOM 1857 N NZ . LYS B 1 29 ? 27.542 24.963 -6.126 1.00 66.25 0 B 2 -ATOM 1858 N N . GLU B 1 30 ? 25.853 27.159 -1.434 1.00 27.09 0 B 2 -ATOM 1859 C CA . GLU B 1 30 ? 24.478 26.727 -1.284 1.00 22.76 0 B 2 -ATOM 1860 C C . GLU B 1 30 ? 23.934 26.132 -2.574 1.00 27.22 0 B 2 -ATOM 1861 O O . GLU B 1 30 ? 23.807 26.831 -3.579 1.00 28.14 0 B 2 -ATOM 1862 C CB . GLU B 1 30 ? 23.588 27.906 -0.870 1.00 24.71 0 B 2 -ATOM 1863 C CG . GLU B 1 30 ? 23.750 28.365 0.575 1.00 25.60 0 B 2 -ATOM 1864 C CD . GLU B 1 30 ? 22.999 27.503 1.568 1.00 22.68 0 B 2 -ATOM 1865 O OE1 . GLU B 1 30 ? 22.496 26.426 1.187 1.00 25.52 0 B 2 -ATOM 1866 O OE2 . GLU B 1 30 ? 22.912 27.917 2.735 1.00 25.33 0 B 2 -ATOM 1867 N N . GLU B 1 31 ? 23.646 24.838 -2.550 1.00 29.40 0 B 2 -ATOM 1868 C CA . GLU B 1 31 ? 23.059 24.162 -3.697 1.00 30.25 0 B 2 -ATOM 1869 C C . GLU B 1 31 ? 21.569 24.087 -3.409 1.00 29.50 0 B 2 -ATOM 1870 O O . GLU B 1 31 ? 21.132 23.324 -2.547 1.00 29.93 0 B 2 -ATOM 1871 C CB . GLU B 1 31 ? 23.634 22.763 -3.854 1.00 34.26 0 B 2 -ATOM 1872 C CG . GLU B 1 31 ? 24.971 22.758 -4.549 1.00 47.90 0 B 2 -ATOM 1873 C CD . GLU B 1 31 ? 24.839 22.905 -6.049 1.00 54.07 0 B 2 -ATOM 1874 O OE1 . GLU B 1 31 ? 24.454 23.992 -6.533 1.00 53.62 0 B 2 -ATOM 1875 O OE2 . GLU B 1 31 ? 25.122 21.916 -6.750 1.00 66.85 0 B 2 -ATOM 1876 N N . VAL B 1 32 ? 20.806 24.939 -4.079 1.00 29.27 0 B 2 -ATOM 1877 C CA . VAL B 1 32 ? 19.365 25.007 -3.900 1.00 26.39 0 B 2 -ATOM 1878 C C . VAL B 1 32 ? 18.671 23.962 -4.752 1.00 30.94 0 B 2 -ATOM 1879 O O . VAL B 1 32 ? 18.923 23.855 -5.949 1.00 39.04 0 B 2 -ATOM 1880 C CB . VAL B 1 32 ? 18.835 26.403 -4.285 1.00 30.62 0 B 2 -ATOM 1881 C CG1 . VAL B 1 32 ? 17.323 26.476 -4.078 1.00 25.87 0 B 2 -ATOM 1882 C CG2 . VAL B 1 32 ? 19.550 27.474 -3.465 1.00 26.68 0 B 2 -ATOM 1883 N N . VAL B 1 33 ? 17.794 23.192 -4.125 1.00 32.24 0 B 2 -ATOM 1884 C CA . VAL B 1 33 ? 17.049 22.143 -4.803 1.00 26.40 0 B 2 -ATOM 1885 C C . VAL B 1 33 ? 15.582 22.548 -4.801 1.00 31.56 0 B 2 -ATOM 1886 O O . VAL B 1 33 ? 15.039 22.930 -3.764 1.00 33.69 0 B 2 -ATOM 1887 C CB . VAL B 1 33 ? 17.232 20.799 -4.072 1.00 24.47 0 B 2 -ATOM 1888 C CG1 . VAL B 1 33 ? 16.429 19.704 -4.733 1.00 23.77 0 B 2 -ATOM 1889 C CG2 . VAL B 1 33 ? 18.705 20.435 -4.046 1.00 21.90 0 B 2 -ATOM 1890 N N . THR B 1 34 ? 14.969 22.556 -5.979 1.00 36.24 0 B 2 -ATOM 1891 C CA . THR B 1 34 ? 13.563 22.916 -6.098 1.00 39.40 0 B 2 -ATOM 1892 C C . THR B 1 34 ? 12.676 21.690 -6.095 1.00 39.86 0 B 2 -ATOM 1893 O O . THR B 1 34 ? 13.127 20.587 -6.404 1.00 37.37 0 B 2 -ATOM 1894 C CB . THR B 1 34 ? 13.282 23.692 -7.389 1.00 38.77 0 B 2 -ATOM 1895 C CG2 . THR B 1 34 ? 13.871 25.083 -7.308 1.00 44.18 0 B 2 -ATOM 1896 O OG1 . THR B 1 34 ? 13.841 22.987 -8.505 1.00 45.87 0 B 2 -ATOM 1897 N N . VAL B 1 35 ? 11.390 21.906 -5.832 1.00 47.64 0 B 2 -ATOM 1898 C CA . VAL B 1 35 ? 10.420 20.824 -5.791 1.00 53.28 0 B 2 -ATOM 1899 C C . VAL B 1 35 ? 10.438 20.021 -7.094 1.00 54.22 0 B 2 -ATOM 1900 O O . VAL B 1 35 ? 10.324 18.796 -7.078 1.00 51.37 0 B 2 -ATOM 1901 C CB . VAL B 1 35 ? 8.986 21.351 -5.480 1.00 56.47 0 B 2 -ATOM 1902 C CG1 . VAL B 1 35 ? 8.384 22.077 -6.687 1.00 58.28 0 B 2 -ATOM 1903 C CG2 . VAL B 1 35 ? 8.085 20.209 -5.013 1.00 60.50 0 B 2 -ATOM 1904 N N . GLU B 1 36 ? 10.644 20.715 -8.210 1.00 58.43 0 B 2 -ATOM 1905 C CA . GLU B 1 36 ? 10.693 20.071 -9.520 1.00 61.12 0 B 2 -ATOM 1906 C C . GLU B 1 36 ? 11.898 19.137 -9.611 1.00 57.43 0 B 2 -ATOM 1907 O O . GLU B 1 36 ? 11.764 17.961 -9.968 1.00 57.50 0 B 2 -ATOM 1908 C CB . GLU B 1 36 ? 10.759 21.119 -10.645 1.00 67.67 0 B 2 -ATOM 1909 C CG . GLU B 1 36 ? 9.598 22.118 -10.664 1.00 76.81 0 B 2 -ATOM 1910 C CD . GLU B 1 36 ? 9.981 23.480 -10.106 1.00 82.50 0 B 2 -ATOM 1911 O OE1 . GLU B 1 36 ? 10.924 24.104 -10.644 1.00 85.34 0 B 2 -ATOM 1912 O OE2 . GLU B 1 36 ? 9.331 23.938 -9.140 1.00 85.98 0 B 2 -ATOM 1913 N N . THR B 1 37 ? 13.062 19.663 -9.249 1.00 52.77 0 B 2 -ATOM 1914 C CA . THR B 1 37 ? 14.303 18.896 -9.279 1.00 46.99 0 B 2 -ATOM 1915 C C . THR B 1 37 ? 14.213 17.658 -8.379 1.00 47.18 0 B 2 -ATOM 1916 O O . THR B 1 37 ? 14.723 16.584 -8.715 1.00 45.53 0 B 2 -ATOM 1917 C CB . THR B 1 37 ? 15.480 19.777 -8.829 1.00 44.38 0 B 2 -ATOM 1918 C CG2 . THR B 1 37 ? 16.799 19.058 -9.040 1.00 38.19 0 B 2 -ATOM 1919 O OG1 . THR B 1 37 ? 15.467 21.004 -9.573 1.00 35.05 0 B 2 -ATOM 1920 N N . TRP B 1 38 ? 13.519 17.803 -7.254 1.00 42.94 0 B 2 -ATOM 1921 C CA . TRP B 1 38 ? 13.368 16.704 -6.321 1.00 43.28 0 B 2 -ATOM 1922 C C . TRP B 1 38 ? 12.399 15.671 -6.864 1.00 47.41 0 B 2 -ATOM 1923 O O . TRP B 1 38 ? 12.695 14.477 -6.874 1.00 50.08 0 B 2 -ATOM 1924 C CB . TRP B 1 38 ? 12.857 17.217 -4.978 1.00 36.44 0 B 2 -ATOM 1925 C CG . TRP B 1 38 ? 12.913 16.191 -3.887 1.00 33.30 0 B 2 -ATOM 1926 C CD1 . TRP B 1 38 ? 11.855 15.633 -3.220 1.00 32.64 0 B 2 -ATOM 1927 C CD2 . TRP B 1 38 ? 14.099 15.622 -3.308 1.00 28.13 0 B 2 -ATOM 1928 C CE2 . TRP B 1 38 ? 13.684 14.725 -2.297 1.00 29.08 0 B 2 -ATOM 1929 C CE3 . TRP B 1 38 ? 15.472 15.780 -3.550 1.00 25.40 0 B 2 -ATOM 1930 N NE1 . TRP B 1 38 ? 12.312 14.752 -2.260 1.00 31.63 0 B 2 -ATOM 1931 C CZ2 . TRP B 1 38 ? 14.596 14.000 -1.518 1.00 23.42 0 B 2 -ATOM 1932 C CZ3 . TRP B 1 38 ? 16.378 15.055 -2.775 1.00 21.21 0 B 2 -ATOM 1933 C CH2 . TRP B 1 38 ? 15.931 14.176 -1.778 1.00 18.10 0 B 2 -ATOM 1934 N N . GLN B 1 39 ? 11.257 16.135 -7.357 1.00 52.69 0 B 2 -ATOM 1935 C CA . GLN B 1 39 ? 10.236 15.238 -7.881 1.00 56.62 0 B 2 -ATOM 1936 C C . GLN B 1 39 ? 10.684 14.499 -9.136 1.00 56.84 0 B 2 -ATOM 1937 O O . GLN B 1 39 ? 9.953 13.665 -9.672 1.00 60.81 0 B 2 -ATOM 1938 C CB . GLN B 1 39 ? 8.913 15.987 -8.092 1.00 57.23 0 B 2 -ATOM 1939 C CG . GLN B 1 39 ? 8.266 16.426 -6.778 1.00 60.47 0 B 2 -ATOM 1940 C CD . GLN B 1 39 ? 7.030 17.290 -6.976 1.00 65.34 0 B 2 -ATOM 1941 N NE2 . GLN B 1 39 ? 6.207 17.384 -5.939 1.00 64.94 0 B 2 -ATOM 1942 O OE1 . GLN B 1 39 ? 6.827 17.876 -8.040 1.00 67.75 0 B 2 -ATOM 1943 N N . GLU B 1 40 ? 11.888 14.808 -9.604 1.00 57.04 0 B 2 -ATOM 1944 C CA . GLU B 1 40 ? 12.439 14.136 -10.766 1.00 56.97 0 B 2 -ATOM 1945 C C . GLU B 1 40 ? 12.998 12.775 -10.319 1.00 58.80 0 B 2 -ATOM 1946 O O . GLU B 1 40 ? 13.202 11.872 -11.133 1.00 61.94 0 B 2 -ATOM 1947 C CB . GLU B 1 40 ? 13.517 15.004 -11.401 1.00 55.00 0 B 2 -ATOM 1948 C CG . GLU B 1 40 ? 13.976 14.509 -12.740 1.00 60.21 0 B 2 -ATOM 1949 C CD . GLU B 1 40 ? 15.315 13.823 -12.667 1.00 62.90 0 B 2 -ATOM 1950 O OE1 . GLU B 1 40 ? 16.334 14.540 -12.646 1.00 68.20 0 B 2 -ATOM 1951 O OE2 . GLU B 1 40 ? 15.357 12.574 -12.643 1.00 66.48 0 B 2 -ATOM 1952 N N . GLY B 1 41 ? 13.277 12.657 -9.020 1.00 55.91 0 B 2 -ATOM 1953 C CA . GLY B 1 41 ? 13.765 11.411 -8.450 1.00 50.06 0 B 2 -ATOM 1954 C C . GLY B 1 41 ? 15.253 11.117 -8.462 1.00 48.42 0 B 2 -ATOM 1955 O O . GLY B 1 41 ? 15.749 10.410 -7.579 1.00 48.44 0 B 2 -ATOM 1956 N N . SER B 1 42 ? 15.977 11.680 -9.422 1.00 46.90 0 B 2 -ATOM 1957 C CA . SER B 1 42 ? 17.414 11.443 -9.548 1.00 50.18 0 B 2 -ATOM 1958 C C . SER B 1 42 ? 18.242 11.713 -8.290 1.00 46.83 0 B 2 -ATOM 1959 O O . SER B 1 42 ? 18.987 10.846 -7.830 1.00 45.75 0 B 2 -ATOM 1960 C CB . SER B 1 42 ? 17.966 12.272 -10.702 1.00 52.48 0 B 2 -ATOM 1961 O OG . SER B 1 42 ? 17.570 13.620 -10.558 1.00 59.18 0 B 2 -ATOM 1962 N N . LEU B 1 43 ? 18.129 12.924 -7.755 1.00 45.86 0 B 2 -ATOM 1963 C CA . LEU B 1 43 ? 18.885 13.298 -6.562 1.00 40.05 0 B 2 -ATOM 1964 C C . LEU B 1 43 ? 18.398 12.511 -5.350 1.00 34.71 0 B 2 -ATOM 1965 O O . LEU B 1 43 ? 19.205 12.025 -4.563 1.00 35.66 0 B 2 -ATOM 1966 C CB . LEU B 1 43 ? 18.782 14.811 -6.320 1.00 41.14 0 B 2 -ATOM 1967 C CG . LEU B 1 43 ? 19.863 15.520 -5.484 1.00 42.51 0 B 2 -ATOM 1968 C CD1 . LEU B 1 43 ? 19.557 15.446 -4.009 1.00 46.88 0 B 2 -ATOM 1969 C CD2 . LEU B 1 43 ? 21.239 14.952 -5.790 1.00 39.74 0 B 2 -ATOM 1970 N N . LYS B 1 44 ? 17.086 12.324 -5.244 1.00 26.39 0 B 2 -ATOM 1971 C CA . LYS B 1 44 ? 16.497 11.590 -4.141 1.00 29.50 0 B 2 -ATOM 1972 C C . LYS B 1 44 ? 17.102 10.195 -4.032 1.00 34.06 0 B 2 -ATOM 1973 O O . LYS B 1 44 ? 17.442 9.743 -2.937 1.00 34.77 0 B 2 -ATOM 1974 C CB . LYS B 1 44 ? 14.974 11.478 -4.305 1.00 30.20 0 B 2 -ATOM 1975 C CG . LYS B 1 44 ? 14.284 10.905 -3.069 1.00 28.73 0 B 2 -ATOM 1976 C CD . LYS B 1 44 ? 12.776 10.904 -3.175 1.00 29.18 0 B 2 -ATOM 1977 C CE . LYS B 1 44 ? 12.140 11.023 -1.788 1.00 39.73 0 B 2 -ATOM 1978 N NZ . LYS B 1 44 ? 12.591 10.004 -0.796 1.00 29.73 0 B 2 -ATOM 1979 N N . ALA B 1 45 ? 17.248 9.523 -5.169 1.00 36.39 0 B 2 -ATOM 1980 C CA . ALA B 1 45 ? 17.802 8.175 -5.207 1.00 33.03 0 B 2 -ATOM 1981 C C . ALA B 1 45 ? 19.264 8.126 -4.782 1.00 33.05 0 B 2 -ATOM 1982 O O . ALA B 1 45 ? 19.707 7.148 -4.178 1.00 39.78 0 B 2 -ATOM 1983 C CB . ALA B 1 45 ? 17.626 7.579 -6.603 1.00 35.77 0 B 2 -ATOM 1984 N N . SER B 1 46 ? 20.017 9.171 -5.097 1.00 29.59 0 B 2 -ATOM 1985 C CA . SER B 1 46 ? 21.425 9.216 -4.748 1.00 27.14 0 B 2 -ATOM 1986 C C . SER B 1 46 ? 21.665 9.544 -3.271 1.00 26.02 0 B 2 -ATOM 1987 O O . SER B 1 46 ? 22.794 9.464 -2.787 1.00 25.51 0 B 2 -ATOM 1988 C CB . SER B 1 46 ? 22.147 10.224 -5.644 1.00 29.76 0 B 2 -ATOM 1989 O OG . SER B 1 46 ? 21.546 11.508 -5.556 1.00 31.85 0 B 2 -ATOM 1990 N N . CYS B 1 47 ? 20.618 9.951 -2.566 1.00 23.30 0 B 2 -ATOM 1991 C CA . CYS B 1 47 ? 20.725 10.283 -1.157 1.00 23.13 0 B 2 -ATOM 1992 C C . CYS B 1 47 ? 20.610 9.019 -0.319 1.00 23.47 0 B 2 -ATOM 1993 O O . CYS B 1 47 ? 19.643 8.266 -0.463 1.00 21.06 0 B 2 -ATOM 1994 C CB . CYS B 1 47 ? 19.624 11.277 -0.757 1.00 25.29 0 B 2 -ATOM 1995 S SG . CYS B 1 47 ? 19.826 12.925 -1.457 1.00 28.80 0 B 2 -ATOM 1996 N N . LEU B 1 48 ? 21.525 8.853 0.634 1.00 21.12 0 B 2 -ATOM 1997 C CA . LEU B 1 48 ? 21.551 7.676 1.504 1.00 23.28 0 B 2 -ATOM 1998 C C . LEU B 1 48 ? 20.204 7.255 2.079 1.00 23.28 0 B 2 -ATOM 1999 O O . LEU B 1 48 ? 19.854 6.081 2.063 1.00 24.26 0 B 2 -ATOM 2000 C CB . LEU B 1 48 ? 22.537 7.884 2.635 1.00 20.97 0 B 2 -ATOM 2001 C CG . LEU B 1 48 ? 22.748 6.643 3.504 1.00 24.22 0 B 2 -ATOM 2002 C CD1 . LEU B 1 48 ? 23.360 5.505 2.666 1.00 20.50 0 B 2 -ATOM 2003 C CD2 . LEU B 1 48 ? 23.649 7.014 4.669 1.00 21.29 0 B 2 -ATOM 2004 N N . TYR B 1 49 ? 19.491 8.215 2.663 1.00 24.24 0 B 2 -ATOM 2005 C CA . TYR B 1 49 ? 18.165 7.965 3.226 1.00 23.71 0 B 2 -ATOM 2006 C C . TYR B 1 49 ? 17.074 8.675 2.373 1.00 27.62 0 B 2 -ATOM 2007 O O . TYR B 1 49 ? 15.989 8.997 2.886 1.00 33.21 0 B 2 -ATOM 2008 C CB . TYR B 1 49 ? 18.128 8.441 4.691 1.00 14.19 0 B 2 -ATOM 2009 C CG . TYR B 1 49 ? 19.198 7.821 5.609 1.00 12.84 0 B 2 -ATOM 2010 C CD1 . TYR B 1 49 ? 19.113 6.488 6.038 1.00 14.84 0 B 2 -ATOM 2011 C CD2 . TYR B 1 49 ? 20.297 8.575 6.067 1.00 12.74 0 B 2 -ATOM 2012 C CE1 . TYR B 1 49 ? 20.085 5.921 6.891 1.00 15.75 0 B 2 -ATOM 2013 C CE2 . TYR B 1 49 ? 21.274 8.017 6.921 1.00 15.20 0 B 2 -ATOM 2014 C CZ . TYR B 1 49 ? 21.162 6.699 7.313 1.00 17.93 0 B 2 -ATOM 2015 O OH . TYR B 1 49 ? 22.199 6.184 8.037 1.00 20.26 0 B 2 -ATOM 2016 N N . GLY B 1 50 ? 17.355 8.883 1.081 1.00 23.70 0 B 2 -ATOM 2017 C CA . GLY B 1 50 ? 16.420 9.539 0.164 1.00 24.44 0 B 2 -ATOM 2018 C C . GLY B 1 50 ? 15.927 10.912 0.629 1.00 28.77 0 B 2 -ATOM 2019 O O . GLY B 1 50 ? 14.805 11.337 0.319 1.00 27.66 0 B 2 -ATOM 2020 N N . GLN B 1 51 ? 16.761 11.606 1.394 1.00 27.20 0 B 2 -ATOM 2021 C CA . GLN B 1 51 ? 16.378 12.897 1.919 1.00 23.91 0 B 2 -ATOM 2022 C C . GLN B 1 51 ? 17.516 13.909 2.010 1.00 22.69 0 B 2 -ATOM 2023 O O . GLN B 1 51 ? 18.689 13.544 1.951 1.00 22.12 0 B 2 -ATOM 2024 C CB . GLN B 1 51 ? 15.763 12.741 3.313 1.00 23.65 0 B 2 -ATOM 2025 C CG . GLN B 1 51 ? 14.419 12.040 3.318 1.00 25.97 0 B 2 -ATOM 2026 C CD . GLN B 1 51 ? 13.744 12.122 4.666 1.00 27.56 0 B 2 -ATOM 2027 N NE2 . GLN B 1 51 ? 12.448 12.405 4.653 1.00 32.50 0 B 2 -ATOM 2028 O OE1 . GLN B 1 51 ? 14.375 11.925 5.708 1.00 27.33 0 B 2 -ATOM 2029 N N . LEU B 1 52 ? 17.144 15.181 2.137 1.00 24.08 0 B 2 -ATOM 2030 C CA . LEU B 1 52 ? 18.088 16.294 2.290 1.00 18.76 0 B 2 -ATOM 2031 C C . LEU B 1 52 ? 17.870 16.759 3.736 1.00 19.09 0 B 2 -ATOM 2032 O O . LEU B 1 52 ? 16.878 16.376 4.362 1.00 18.27 0 B 2 -ATOM 2033 C CB . LEU B 1 52 ? 17.744 17.426 1.318 1.00 17.97 0 B 2 -ATOM 2034 C CG . LEU B 1 52 ? 17.800 17.133 -0.177 1.00 17.87 0 B 2 -ATOM 2035 C CD1 . LEU B 1 52 ? 17.414 18.375 -0.949 1.00 19.92 0 B 2 -ATOM 2036 C CD2 . LEU B 1 52 ? 19.188 16.671 -0.568 1.00 18.57 0 B 2 -ATOM 2037 N N . PRO B 1 53 ? 18.767 17.590 4.285 1.00 20.60 0 B 2 -ATOM 2038 C CA . PRO B 1 53 ? 19.988 18.126 3.685 1.00 17.36 0 B 2 -ATOM 2039 C C . PRO B 1 53 ? 21.092 17.125 3.376 1.00 19.27 0 B 2 -ATOM 2040 O O . PRO B 1 53 ? 21.191 16.077 4.008 1.00 20.48 0 B 2 -ATOM 2041 C CB . PRO B 1 53 ? 20.464 19.121 4.753 1.00 19.41 0 B 2 -ATOM 2042 C CG . PRO B 1 53 ? 20.032 18.472 6.024 1.00 13.61 0 B 2 -ATOM 2043 C CD . PRO B 1 53 ? 18.624 18.042 5.679 1.00 19.95 0 B 2 -ATOM 2044 N N . LYS B 1 54 ? 21.889 17.471 2.370 1.00 20.26 0 B 2 -ATOM 2045 C CA . LYS B 1 54 ? 23.036 16.709 1.952 1.00 14.30 0 B 2 -ATOM 2046 C C . LYS B 1 54 ? 24.161 17.710 2.198 1.00 13.60 0 B 2 -ATOM 2047 O O . LYS B 1 54 ? 23.954 18.908 2.033 1.00 16.89 0 B 2 -ATOM 2048 C CB . LYS B 1 54 ? 22.963 16.356 0.460 1.00 12.46 0 B 2 -ATOM 2049 C CG . LYS B 1 54 ? 24.260 15.821 -0.113 1.00 20.55 0 B 2 -ATOM 2050 C CD . LYS B 1 54 ? 24.127 15.546 -1.597 1.00 24.79 0 B 2 -ATOM 2051 C CE . LYS B 1 54 ? 25.489 15.380 -2.248 1.00 27.06 0 B 2 -ATOM 2052 N NZ . LYS B 1 54 ? 25.384 15.084 -3.707 1.00 31.26 0 B 2 -ATOM 2053 N N . PHE B 1 55 ? 25.332 17.242 2.613 1.00 13.42 0 B 2 -ATOM 2054 C CA . PHE B 1 55 ? 26.438 18.129 2.930 1.00 18.50 0 B 2 -ATOM 2055 C C . PHE B 1 55 ? 27.742 17.606 2.348 1.00 22.01 0 B 2 -ATOM 2056 O O . PHE B 1 55 ? 27.961 16.397 2.277 1.00 19.16 0 B 2 -ATOM 2057 C CB . PHE B 1 55 ? 26.592 18.223 4.445 1.00 16.41 0 B 2 -ATOM 2058 C CG . PHE B 1 55 ? 27.478 19.356 4.896 1.00 17.96 0 B 2 -ATOM 2059 C CD1 . PHE B 1 55 ? 27.013 20.669 4.874 1.00 17.52 0 B 2 -ATOM 2060 C CD2 . PHE B 1 55 ? 28.762 19.118 5.365 1.00 19.77 0 B 2 -ATOM 2061 C CE1 . PHE B 1 55 ? 27.811 21.722 5.323 1.00 11.27 0 B 2 -ATOM 2062 C CE2 . PHE B 1 55 ? 29.562 20.164 5.815 1.00 20.95 0 B 2 -ATOM 2063 C CZ . PHE B 1 55 ? 29.077 21.470 5.790 1.00 13.89 0 B 2 -ATOM 2064 N N . GLN B 1 56 ? 28.610 18.517 1.930 1.00 21.28 0 B 2 -ATOM 2065 C CA . GLN B 1 56 ? 29.882 18.109 1.380 1.00 20.79 0 B 2 -ATOM 2066 C C . GLN B 1 56 ? 31.000 18.908 2.024 1.00 23.23 0 B 2 -ATOM 2067 O O . GLN B 1 56 ? 30.895 20.128 2.209 1.00 24.14 0 B 2 -ATOM 2068 C CB . GLN B 1 56 ? 29.892 18.288 -0.140 1.00 24.95 0 B 2 -ATOM 2069 C CG . GLN B 1 56 ? 28.903 17.384 -0.875 1.00 30.61 0 B 2 -ATOM 2070 C CD . GLN B 1 56 ? 28.838 17.656 -2.378 1.00 37.29 0 B 2 -ATOM 2071 N NE2 . GLN B 1 56 ? 28.682 16.598 -3.161 1.00 44.15 0 B 2 -ATOM 2072 O OE1 . GLN B 1 56 ? 28.906 18.799 -2.824 1.00 38.31 0 B 2 -ATOM 2073 N N . ASP B 1 57 ? 32.020 18.191 2.474 1.00 21.60 0 B 2 -ATOM 2074 C CA . ASP B 1 57 ? 33.187 18.796 3.081 1.00 23.99 0 B 2 -ATOM 2075 C C . ASP B 1 57 ? 34.335 18.108 2.356 1.00 27.04 0 B 2 -ATOM 2076 O O . ASP B 1 57 ? 34.791 17.039 2.757 1.00 28.71 0 B 2 -ATOM 2077 C CB . ASP B 1 57 ? 33.248 18.495 4.574 1.00 21.13 0 B 2 -ATOM 2078 C CG . ASP B 1 57 ? 34.412 19.194 5.267 1.00 29.83 0 B 2 -ATOM 2079 O OD1 . ASP B 1 57 ? 35.207 19.902 4.595 1.00 34.77 0 B 2 -ATOM 2080 O OD2 . ASP B 1 57 ? 34.538 19.043 6.498 1.00 29.43 0 B 2 -ATOM 2081 N N . GLY B 1 58 ? 34.786 18.709 1.263 1.00 28.19 0 B 2 -ATOM 2082 C CA . GLY B 1 58 ? 35.838 18.087 0.493 1.00 24.07 0 B 2 -ATOM 2083 C C . GLY B 1 58 ? 35.107 16.944 -0.175 1.00 25.17 0 B 2 -ATOM 2084 O O . GLY B 1 58 ? 33.958 17.126 -0.594 1.00 29.51 0 B 2 -ATOM 2085 N N . ASP B 1 59 ? 35.698 15.753 -0.183 1.00 28.44 0 B 2 -ATOM 2086 C CA . ASP B 1 59 ? 35.050 14.596 -0.805 1.00 30.63 0 B 2 -ATOM 2087 C C . ASP B 1 59 ? 34.197 13.797 0.184 1.00 31.12 0 B 2 -ATOM 2088 O O . ASP B 1 59 ? 33.727 12.699 -0.125 1.00 33.47 0 B 2 -ATOM 2089 C CB . ASP B 1 59 ? 36.090 13.694 -1.485 1.00 31.64 0 B 2 -ATOM 2090 C CG . ASP B 1 59 ? 37.067 13.065 -0.505 1.00 27.74 0 B 2 -ATOM 2091 O OD1 . ASP B 1 59 ? 37.258 13.606 0.606 1.00 28.29 0 B 2 -ATOM 2092 O OD2 . ASP B 1 59 ? 37.654 12.024 -0.854 1.00 28.97 0 B 2 -ATOM 2093 N N . LEU B 1 60 ? 34.018 14.346 1.381 1.00 30.41 0 B 2 -ATOM 2094 C CA . LEU B 1 60 ? 33.217 13.701 2.406 1.00 23.21 0 B 2 -ATOM 2095 C C . LEU B 1 60 ? 31.772 14.151 2.208 1.00 20.38 0 B 2 -ATOM 2096 O O . LEU B 1 60 ? 31.469 15.336 2.323 1.00 15.91 0 B 2 -ATOM 2097 C CB . LEU B 1 60 ? 33.698 14.135 3.793 1.00 25.65 0 B 2 -ATOM 2098 C CG . LEU B 1 60 ? 33.497 13.255 5.031 1.00 23.20 0 B 2 -ATOM 2099 C CD1 . LEU B 1 60 ? 33.118 14.157 6.182 1.00 17.98 0 B 2 -ATOM 2100 C CD2 . LEU B 1 60 ? 32.431 12.185 4.826 1.00 16.50 0 B 2 -ATOM 2101 N N . THR B 1 61 ? 30.901 13.212 1.854 1.00 23.88 0 B 2 -ATOM 2102 C CA . THR B 1 61 ? 29.492 13.525 1.675 1.00 22.51 0 B 2 -ATOM 2103 C C . THR B 1 61 ? 28.763 13.039 2.915 1.00 23.12 0 B 2 -ATOM 2104 O O . THR B 1 61 ? 28.960 11.892 3.333 1.00 21.55 0 B 2 -ATOM 2105 C CB . THR B 1 61 ? 28.898 12.830 0.431 1.00 22.40 0 B 2 -ATOM 2106 C CG2 . THR B 1 61 ? 27.420 13.197 0.271 1.00 21.65 0 B 2 -ATOM 2107 O OG1 . THR B 1 61 ? 29.610 13.245 -0.748 1.00 24.13 0 B 2 -ATOM 2108 N N . LEU B 1 62 ? 27.945 13.910 3.508 1.00 21.64 0 B 2 -ATOM 2109 C CA . LEU B 1 62 ? 27.184 13.575 4.702 1.00 17.75 0 B 2 -ATOM 2110 C C . LEU B 1 62 ? 25.708 13.821 4.537 1.00 19.65 0 B 2 -ATOM 2111 O O . LEU B 1 62 ? 25.287 14.635 3.711 1.00 23.89 0 B 2 -ATOM 2112 C CB . LEU B 1 62 ? 27.662 14.393 5.897 1.00 11.82 0 B 2 -ATOM 2113 C CG . LEU B 1 62 ? 29.039 14.045 6.438 1.00 14.10 0 B 2 -ATOM 2114 C CD1 . LEU B 1 62 ? 29.403 15.069 7.505 1.00 11.80 0 B 2 -ATOM 2115 C CD2 . LEU B 1 62 ? 29.032 12.627 6.996 1.00 9.23 0 B 2 -ATOM 2116 N N . TYR B 1 63 ? 24.928 13.122 5.346 1.00 15.53 0 B 2 -ATOM 2117 C CA . TYR B 1 63 ? 23.494 13.274 5.343 1.00 16.00 0 B 2 -ATOM 2118 C C . TYR B 1 63 ? 23.112 13.361 6.830 1.00 16.11 0 B 2 -ATOM 2119 O O . TYR B 1 63 ? 23.958 13.109 7.682 1.00 15.17 0 B 2 -ATOM 2120 C CB . TYR B 1 63 ? 22.832 12.092 4.610 1.00 16.23 0 B 2 -ATOM 2121 C CG . TYR B 1 63 ? 23.184 11.980 3.105 1.00 15.43 0 B 2 -ATOM 2122 C CD1 . TYR B 1 63 ? 22.431 12.638 2.128 1.00 18.53 0 B 2 -ATOM 2123 C CD2 . TYR B 1 63 ? 24.254 11.203 2.664 1.00 16.61 0 B 2 -ATOM 2124 C CE1 . TYR B 1 63 ? 22.737 12.529 0.767 1.00 14.71 0 B 2 -ATOM 2125 C CE2 . TYR B 1 63 ? 24.568 11.088 1.303 1.00 18.86 0 B 2 -ATOM 2126 C CZ . TYR B 1 63 ? 23.801 11.767 0.365 1.00 17.28 0 B 2 -ATOM 2127 O OH . TYR B 1 63 ? 24.104 11.776 -0.975 1.00 22.28 0 B 2 -ATOM 2128 N N . GLN B 1 64 ? 21.889 13.792 7.130 1.00 18.33 0 B 2 -ATOM 2129 C CA . GLN B 1 64 ? 21.397 13.952 8.500 1.00 15.45 0 B 2 -ATOM 2130 C C . GLN B 1 64 ? 21.934 15.245 9.133 1.00 16.13 0 B 2 -ATOM 2131 O O . GLN B 1 64 ? 23.116 15.360 9.440 1.00 18.87 0 B 2 -ATOM 2132 C CB . GLN B 1 64 ? 21.739 12.721 9.337 1.00 17.45 0 B 2 -ATOM 2133 C CG . GLN B 1 64 ? 21.112 11.444 8.794 1.00 14.78 0 B 2 -ATOM 2134 C CD . GLN B 1 64 ? 19.662 11.315 9.199 1.00 23.27 0 B 2 -ATOM 2135 N NE2 . GLN B 1 64 ? 19.023 10.229 8.794 1.00 24.01 0 B 2 -ATOM 2136 O OE1 . GLN B 1 64 ? 19.131 12.177 9.890 1.00 24.14 0 B 2 -ATOM 2137 N N . SER B 1 65 ? 21.047 16.213 9.333 1.00 12.73 0 B 2 -ATOM 2138 C CA . SER B 1 65 ? 21.408 17.511 9.886 1.00 12.51 0 B 2 -ATOM 2139 C C . SER B 1 65 ? 22.266 17.449 11.141 1.00 11.81 0 B 2 -ATOM 2140 O O . SER B 1 65 ? 23.238 18.185 11.262 1.00 15.58 0 B 2 -ATOM 2141 C CB . SER B 1 65 ? 20.146 18.332 10.154 1.00 11.16 0 B 2 -ATOM 2142 O OG . SER B 1 65 ? 19.226 17.614 10.953 1.00 11.48 0 B 2 -ATOM 2143 N N . ASN B 1 66 ? 21.928 16.555 12.063 1.00 12.83 0 B 2 -ATOM 2144 C CA . ASN B 1 66 ? 22.695 16.430 13.308 1.00 10.07 0 B 2 -ATOM 2145 C C . ASN B 1 66 ? 24.073 15.852 13.088 1.00 8.03 0 B 2 -ATOM 2146 O O . ASN B 1 66 ? 24.982 16.085 13.891 1.00 13.88 0 B 2 -ATOM 2147 C CB . ASN B 1 66 ? 21.927 15.634 14.364 1.00 11.02 0 B 2 -ATOM 2148 C CG . ASN B 1 66 ? 20.631 16.303 14.776 1.00 4.51 0 B 2 -ATOM 2149 N ND2 . ASN B 1 66 ? 20.730 17.469 15.380 1.00 8.90 0 B 2 -ATOM 2150 O OD1 . ASN B 1 66 ? 19.558 15.765 14.563 1.00 13.67 0 B 2 -ATOM 2151 N N . THR B 1 67 ? 24.239 15.100 12.008 1.00 11.64 0 B 2 -ATOM 2152 C CA . THR B 1 67 ? 25.543 14.536 11.673 1.00 15.35 0 B 2 -ATOM 2153 C C . THR B 1 67 ? 26.384 15.709 11.177 1.00 11.18 0 B 2 -ATOM 2154 O O . THR B 1 67 ? 27.572 15.816 11.479 1.00 15.08 0 B 2 -ATOM 2155 C CB . THR B 1 67 ? 25.426 13.464 10.553 1.00 12.27 0 B 2 -ATOM 2156 C CG2 . THR B 1 67 ? 26.800 13.038 10.054 1.00 12.54 0 B 2 -ATOM 2157 O OG1 . THR B 1 67 ? 24.746 12.314 11.072 1.00 14.39 0 B 2 -ATOM 2158 N N . ILE B 1 68 ? 25.749 16.615 10.440 1.00 13.26 0 B 2 -ATOM 2159 C CA . ILE B 1 68 ? 26.463 17.772 9.939 1.00 13.39 0 B 2 -ATOM 2160 C C . ILE B 1 68 ? 26.855 18.634 11.135 1.00 14.17 0 B 2 -ATOM 2161 O O . ILE B 1 68 ? 28.020 19.000 11.280 1.00 12.19 0 B 2 -ATOM 2162 C CB . ILE B 1 68 ? 25.597 18.564 8.958 1.00 13.10 0 B 2 -ATOM 2163 C CG1 . ILE B 1 68 ? 25.200 17.657 7.797 1.00 7.65 0 B 2 -ATOM 2164 C CG2 . ILE B 1 68 ? 26.361 19.778 8.442 1.00 6.73 0 B 2 -ATOM 2165 C CD1 . ILE B 1 68 ? 24.051 18.186 6.964 1.00 11.73 0 B 2 -ATOM 2166 N N . LEU B 1 69 ? 25.890 18.885 12.014 1.00 10.14 0 B 2 -ATOM 2167 C CA . LEU B 1 69 ? 26.116 19.667 13.216 1.00 6.69 0 B 2 -ATOM 2168 C C . LEU B 1 69 ? 27.255 19.080 14.037 1.00 11.27 0 B 2 -ATOM 2169 O O . LEU B 1 69 ? 28.217 19.780 14.372 1.00 20.78 0 B 2 -ATOM 2170 C CB . LEU B 1 69 ? 24.850 19.712 14.050 1.00 8.01 0 B 2 -ATOM 2171 C CG . LEU B 1 69 ? 23.809 20.715 13.580 1.00 14.20 0 B 2 -ATOM 2172 C CD1 . LEU B 1 69 ? 22.548 20.547 14.427 1.00 8.39 0 B 2 -ATOM 2173 C CD2 . LEU B 1 69 ? 24.375 22.147 13.717 1.00 15.97 0 B 2 -ATOM 2174 N N . ARG B 1 70 ? 27.189 17.785 14.318 1.00 12.45 0 B 2 -ATOM 2175 C CA . ARG B 1 70 ? 28.242 17.149 15.092 1.00 12.81 0 B 2 -ATOM 2176 C C . ARG B 1 70 ? 29.572 17.223 14.367 1.00 14.51 0 B 2 -ATOM 2177 O O . ARG B 1 70 ? 30.596 17.547 14.972 1.00 15.19 0 B 2 -ATOM 2178 C CB . ARG B 1 70 ? 27.888 15.700 15.418 1.00 11.01 0 B 2 -ATOM 2179 C CG . ARG B 1 70 ? 26.840 15.594 16.487 1.00 9.96 0 B 2 -ATOM 2180 C CD . ARG B 1 70 ? 26.673 14.176 17.023 1.00 14.20 0 B 2 -ATOM 2181 N NE . ARG B 1 70 ? 25.930 14.232 18.277 1.00 11.80 0 B 2 -ATOM 2182 C CZ . ARG B 1 70 ? 24.611 14.181 18.375 1.00 10.51 0 B 2 -ATOM 2183 N NH1 . ARG B 1 70 ? 23.862 14.028 17.285 1.00 15.75 0 B 2 -ATOM 2184 N NH2 . ARG B 1 70 ? 24.024 14.435 19.533 1.00 13.22 0 B 2 -ATOM 2185 N N . HIS B 1 71 ? 29.555 16.954 13.071 1.00 11.07 0 B 2 -ATOM 2186 C CA . HIS B 1 71 ? 30.776 17.003 12.286 1.00 15.16 0 B 2 -ATOM 2187 C C . HIS B 1 71 ? 31.455 18.373 12.390 1.00 15.92 0 B 2 -ATOM 2188 O O . HIS B 1 71 ? 32.658 18.467 12.634 1.00 19.34 0 B 2 -ATOM 2189 C CB . HIS B 1 71 ? 30.483 16.689 10.819 1.00 15.84 0 B 2 -ATOM 2190 C CG . HIS B 1 71 ? 31.685 16.829 9.941 1.00 14.29 0 B 2 -ATOM 2191 C CD2 . HIS B 1 71 ? 31.958 17.686 8.921 1.00 12.78 0 B 2 -ATOM 2192 N ND1 . HIS B 1 71 ? 32.808 16.044 10.086 1.00 14.54 0 B 2 -ATOM 2193 C CE1 . HIS B 1 71 ? 33.723 16.402 9.205 1.00 13.26 0 B 2 -ATOM 2194 N NE2 . HIS B 1 71 ? 33.221 17.401 8.486 1.00 17.57 0 B 2 -ATOM 2195 N N . LEU B 1 72 ? 30.680 19.427 12.171 1.00 19.01 0 B 2 -ATOM 2196 C CA . LEU B 1 72 ? 31.194 20.796 12.229 1.00 19.67 0 B 2 -ATOM 2197 C C . LEU B 1 72 ? 31.686 21.097 13.639 1.00 19.24 0 B 2 -ATOM 2198 O O . LEU B 1 72 ? 32.732 21.716 13.823 1.00 16.98 0 B 2 -ATOM 2199 C CB . LEU B 1 72 ? 30.077 21.780 11.851 1.00 14.89 0 B 2 -ATOM 2200 C CG . LEU B 1 72 ? 30.015 22.416 10.456 1.00 18.28 0 B 2 -ATOM 2201 C CD1 . LEU B 1 72 ? 30.823 21.655 9.425 1.00 15.36 0 B 2 -ATOM 2202 C CD2 . LEU B 1 72 ? 28.550 22.553 10.038 1.00 3.85 0 B 2 -ATOM 2203 N N . GLY B 1 73 ? 30.945 20.626 14.634 1.00 23.32 0 B 2 -ATOM 2204 C CA . GLY B 1 73 ? 31.320 20.864 16.014 1.00 19.52 0 B 2 -ATOM 2205 C C . GLY B 1 73 ? 32.613 20.174 16.389 1.00 19.66 0 B 2 -ATOM 2206 O O . GLY B 1 73 ? 33.426 20.697 17.158 1.00 18.15 0 B 2 -ATOM 2207 N N . ARG B 1 74 ? 32.818 19.001 15.818 1.00 22.42 0 B 2 -ATOM 2208 C CA . ARG B 1 74 ? 34.011 18.224 16.086 1.00 24.70 0 B 2 -ATOM 2209 C C . ARG B 1 74 ? 35.227 18.874 15.420 1.00 24.77 0 B 2 -ATOM 2210 O O . ARG B 1 74 ? 36.221 19.174 16.074 1.00 28.09 0 B 2 -ATOM 2211 C CB . ARG B 1 74 ? 33.789 16.804 15.558 1.00 25.52 0 B 2 -ATOM 2212 C CG . ARG B 1 74 ? 34.702 15.739 16.126 1.00 24.37 0 B 2 -ATOM 2213 C CD . ARG B 1 74 ? 33.933 14.436 16.229 1.00 24.88 0 B 2 -ATOM 2214 N NE . ARG B 1 74 ? 33.117 14.249 15.038 1.00 20.78 0 B 2 -ATOM 2215 C CZ . ARG B 1 74 ? 31.902 13.716 15.019 1.00 16.49 0 B 2 -ATOM 2216 N NH1 . ARG B 1 74 ? 31.314 13.289 16.127 1.00 4.74 0 B 2 -ATOM 2217 N NH2 . ARG B 1 74 ? 31.251 13.653 13.869 1.00 20.10 0 B 2 -ATOM 2218 N N . THR B 1 75 ? 35.096 19.184 14.135 1.00 23.47 0 B 2 -ATOM 2219 C CA . THR B 1 75 ? 36.189 19.774 13.386 1.00 20.60 0 B 2 -ATOM 2220 C C . THR B 1 75 ? 36.477 21.239 13.685 1.00 20.17 0 B 2 -ATOM 2221 O O . THR B 1 75 ? 37.572 21.714 13.397 1.00 23.34 0 B 2 -ATOM 2222 C CB . THR B 1 75 ? 35.945 19.616 11.888 1.00 21.35 0 B 2 -ATOM 2223 C CG2 . THR B 1 75 ? 35.970 18.158 11.516 1.00 12.30 0 B 2 -ATOM 2224 O OG1 . THR B 1 75 ? 34.668 20.166 11.547 1.00 20.74 0 B 2 -ATOM 2225 N N . LEU B 1 76 ? 35.481 21.969 14.186 1.00 20.46 0 B 2 -ATOM 2226 C CA . LEU B 1 76 ? 35.657 23.387 14.500 1.00 15.23 0 B 2 -ATOM 2227 C C . LEU B 1 76 ? 35.861 23.673 15.979 1.00 14.91 0 B 2 -ATOM 2228 O O . LEU B 1 76 ? 36.071 24.826 16.371 1.00 19.71 0 B 2 -ATOM 2229 C CB . LEU B 1 76 ? 34.478 24.220 13.982 1.00 14.56 0 B 2 -ATOM 2230 C CG . LEU B 1 76 ? 34.482 24.760 12.551 1.00 13.06 0 B 2 -ATOM 2231 C CD1 . LEU B 1 76 ? 35.779 24.425 11.833 1.00 15.21 0 B 2 -ATOM 2232 C CD2 . LEU B 1 76 ? 33.317 24.190 11.805 1.00 15.67 0 B 2 -ATOM 2233 N N . GLY B 1 77 ? 35.780 22.641 16.801 1.00 18.34 0 B 2 -ATOM 2234 C CA . GLY B 1 77 ? 35.971 22.829 18.226 1.00 19.68 0 B 2 -ATOM 2235 C C . GLY B 1 77 ? 34.775 23.417 18.954 1.00 22.38 0 B 2 -ATOM 2236 O O . GLY B 1 77 ? 34.945 24.232 19.862 1.00 20.58 0 B 2 -ATOM 2237 N N . LEU B 1 78 ? 33.576 23.001 18.561 1.00 14.63 0 B 2 -ATOM 2238 C CA . LEU B 1 78 ? 32.355 23.464 19.199 1.00 16.75 0 B 2 -ATOM 2239 C C . LEU B 1 78 ? 31.673 22.233 19.822 1.00 17.07 0 B 2 -ATOM 2240 O O . LEU B 1 78 ? 30.448 22.104 19.739 1.00 12.61 0 B 2 -ATOM 2241 C CB . LEU B 1 78 ? 31.435 24.108 18.148 1.00 15.81 0 B 2 -ATOM 2242 C CG . LEU B 1 78 ? 32.167 24.963 17.116 1.00 15.15 0 B 2 -ATOM 2243 C CD1 . LEU B 1 78 ? 31.182 25.423 16.078 1.00 16.96 0 B 2 -ATOM 2244 C CD2 . LEU B 1 78 ? 32.870 26.152 17.762 1.00 7.14 0 B 2 -ATOM 2245 N N . TYR B 1 79 ? 32.450 21.347 20.459 1.00 19.46 0 B 2 -ATOM 2246 C CA . TYR B 1 79 ? 31.906 20.108 21.055 1.00 19.01 0 B 2 -ATOM 2247 C C . TYR B 1 79 ? 32.310 19.913 22.547 1.00 21.35 0 B 2 -ATOM 2248 O O . TYR B 1 79 ? 32.474 18.780 23.004 1.00 22.00 0 B 2 -ATOM 2249 C CB . TYR B 1 79 ? 32.374 18.882 20.232 1.00 18.89 0 B 2 -ATOM 2250 C CG . TYR B 1 79 ? 31.377 17.719 20.052 1.00 10.76 0 B 2 -ATOM 2251 C CD1 . TYR B 1 79 ? 30.567 17.268 21.102 1.00 9.22 0 B 2 -ATOM 2252 C CD2 . TYR B 1 79 ? 31.244 17.072 18.804 1.00 7.06 0 B 2 -ATOM 2253 C CE1 . TYR B 1 79 ? 29.645 16.208 20.915 1.00 11.72 0 B 2 -ATOM 2254 C CE2 . TYR B 1 79 ? 30.324 16.011 18.609 1.00 7.18 0 B 2 -ATOM 2255 C CZ . TYR B 1 79 ? 29.529 15.591 19.684 1.00 13.15 0 B 2 -ATOM 2256 O OH . TYR B 1 79 ? 28.579 14.594 19.561 1.00 15.08 0 B 2 -ATOM 2257 N N . GLY B 1 80 ? 32.454 20.995 23.311 1.00 19.80 0 B 2 -ATOM 2258 C CA . GLY B 1 80 ? 32.829 20.848 24.713 1.00 12.19 0 B 2 -ATOM 2259 C C . GLY B 1 80 ? 34.326 20.773 24.925 1.00 15.73 0 B 2 -ATOM 2260 O O . GLY B 1 80 ? 35.083 20.533 23.974 1.00 15.99 0 B 2 -ATOM 2261 N N . LYS B 1 81 ? 34.773 20.972 26.159 1.00 14.72 0 B 2 -ATOM 2262 C CA . LYS B 1 81 ? 36.201 20.967 26.436 1.00 22.97 0 B 2 -ATOM 2263 C C . LYS B 1 81 ? 36.724 19.584 26.769 1.00 19.89 0 B 2 -ATOM 2264 O O . LYS B 1 81 ? 37.926 19.344 26.766 1.00 19.25 0 B 2 -ATOM 2265 C CB . LYS B 1 81 ? 36.545 21.970 27.551 1.00 30.55 0 B 2 -ATOM 2266 C CG . LYS B 1 81 ? 36.163 21.542 28.960 1.00 31.93 0 B 2 -ATOM 2267 C CD . LYS B 1 81 ? 36.588 22.591 29.978 1.00 37.60 0 B 2 -ATOM 2268 C CE . LYS B 1 81 ? 36.456 22.067 31.401 1.00 40.93 0 B 2 -ATOM 2269 N NZ . LYS B 1 81 ? 35.038 21.786 31.779 1.00 51.28 0 B 2 -ATOM 2270 N N . ASP B 1 82 ? 35.810 18.671 27.059 1.00 21.42 0 B 2 -ATOM 2271 C CA . ASP B 1 82 ? 36.203 17.312 27.379 1.00 25.99 0 B 2 -ATOM 2272 C C . ASP B 1 82 ? 35.063 16.354 27.114 1.00 21.69 0 B 2 -ATOM 2273 O O . ASP B 1 82 ? 33.965 16.775 26.737 1.00 16.34 0 B 2 -ATOM 2274 C CB . ASP B 1 82 ? 36.710 17.186 28.831 1.00 25.13 0 B 2 -ATOM 2275 C CG . ASP B 1 82 ? 35.700 17.666 29.860 1.00 23.40 0 B 2 -ATOM 2276 O OD1 . ASP B 1 82 ? 34.506 17.336 29.763 1.00 24.50 0 B 2 -ATOM 2277 O OD2 . ASP B 1 82 ? 36.118 18.361 30.804 1.00 28.21 0 B 2 -ATOM 2278 N N . GLN B 1 83 ? 35.300 15.080 27.399 1.00 18.02 0 B 2 -ATOM 2279 C CA . GLN B 1 83 ? 34.306 14.049 27.159 1.00 20.57 0 B 2 -ATOM 2280 C C . GLN B 1 83 ? 33.031 14.294 27.935 1.00 22.09 0 B 2 -ATOM 2281 O O . GLN B 1 83 ? 31.936 14.045 27.432 1.00 17.96 0 B 2 -ATOM 2282 C CB . GLN B 1 83 ? 34.876 12.671 27.476 1.00 23.75 0 B 2 -ATOM 2283 C CG . GLN B 1 83 ? 35.956 12.261 26.485 1.00 32.41 0 B 2 -ATOM 2284 C CD . GLN B 1 83 ? 36.462 10.862 26.708 1.00 33.11 0 B 2 -ATOM 2285 N NE2 . GLN B 1 83 ? 36.567 10.466 27.967 1.00 31.37 0 B 2 -ATOM 2286 O OE1 . GLN B 1 83 ? 36.762 10.141 25.762 1.00 31.05 0 B 2 -ATOM 2287 N N . GLN B 1 84 ? 33.173 14.807 29.145 1.00 22.56 0 B 2 -ATOM 2288 C CA . GLN B 1 84 ? 32.025 15.100 29.984 1.00 24.05 0 B 2 -ATOM 2289 C C . GLN B 1 84 ? 31.125 16.139 29.303 1.00 23.71 0 B 2 -ATOM 2290 O O . GLN B 1 84 ? 29.949 15.873 29.039 1.00 23.56 0 B 2 -ATOM 2291 C CB . GLN B 1 84 ? 32.503 15.593 31.345 1.00 28.26 0 B 2 -ATOM 2292 C CG . GLN B 1 84 ? 31.401 15.954 32.301 1.00 37.55 0 B 2 -ATOM 2293 C CD . GLN B 1 84 ? 31.911 16.105 33.712 1.00 43.75 0 B 2 -ATOM 2294 N NE2 . GLN B 1 84 ? 31.823 17.312 34.245 1.00 50.73 0 B 2 -ATOM 2295 O OE1 . GLN B 1 84 ? 32.379 15.144 34.320 1.00 44.98 0 B 2 -ATOM 2296 N N . GLU B 1 85 ? 31.701 17.288 28.953 1.00 16.23 0 B 2 -ATOM 2297 C CA . GLU B 1 85 ? 30.949 18.349 28.296 1.00 17.26 0 B 2 -ATOM 2298 C C . GLU B 1 85 ? 30.374 17.836 26.981 1.00 17.00 0 B 2 -ATOM 2299 O O . GLU B 1 85 ? 29.227 18.139 26.653 1.00 18.48 0 B 2 -ATOM 2300 C CB . GLU B 1 85 ? 31.812 19.590 28.042 1.00 15.96 0 B 2 -ATOM 2301 C CG . GLU B 1 85 ? 32.265 20.281 29.312 1.00 18.26 0 B 2 -ATOM 2302 C CD . GLU B 1 85 ? 32.670 21.726 29.097 1.00 19.69 0 B 2 -ATOM 2303 O OE1 . GLU B 1 85 ? 32.903 22.133 27.935 1.00 14.25 0 B 2 -ATOM 2304 O OE2 . GLU B 1 85 ? 32.762 22.460 30.113 1.00 21.88 0 B 2 -ATOM 2305 N N . ALA B 1 86 ? 31.145 17.012 26.277 1.00 10.35 0 B 2 -ATOM 2306 C CA . ALA B 1 86 ? 30.705 16.432 25.009 1.00 12.38 0 B 2 -ATOM 2307 C C . ALA B 1 86 ? 29.387 15.676 25.202 1.00 15.80 0 B 2 -ATOM 2308 O O . ALA B 1 86 ? 28.463 15.798 24.386 1.00 19.57 0 B 2 -ATOM 2309 C CB . ALA B 1 86 ? 31.767 15.499 24.459 1.00 8.65 0 B 2 -ATOM 2310 N N . ALA B 1 87 ? 29.283 14.925 26.292 1.00 10.48 0 B 2 -ATOM 2311 C CA . ALA B 1 87 ? 28.069 14.169 26.569 1.00 11.28 0 B 2 -ATOM 2312 C C . ALA B 1 87 ? 26.920 15.139 26.850 1.00 10.81 0 B 2 -ATOM 2313 O O . ALA B 1 87 ? 25.790 14.956 26.390 1.00 8.81 0 B 2 -ATOM 2314 C CB . ALA B 1 87 ? 28.284 13.235 27.760 1.00 8.50 0 B 2 -ATOM 2315 N N . LEU B 1 88 ? 27.218 16.180 27.613 1.00 15.07 0 B 2 -ATOM 2316 C CA . LEU B 1 88 ? 26.211 17.172 27.965 1.00 15.81 0 B 2 -ATOM 2317 C C . LEU B 1 88 ? 25.728 17.886 26.710 1.00 14.54 0 B 2 -ATOM 2318 O O . LEU B 1 88 ? 24.537 18.136 26.560 1.00 21.48 0 B 2 -ATOM 2319 C CB . LEU B 1 88 ? 26.780 18.152 29.002 1.00 12.21 0 B 2 -ATOM 2320 C CG . LEU B 1 88 ? 27.138 17.406 30.304 1.00 16.17 0 B 2 -ATOM 2321 C CD1 . LEU B 1 88 ? 27.960 18.257 31.248 1.00 11.56 0 B 2 -ATOM 2322 C CD2 . LEU B 1 88 ? 25.874 16.905 30.987 1.00 4.00 0 B 2 -ATOM 2323 N N . VAL B 1 89 ? 26.635 18.119 25.772 1.00 14.12 0 B 2 -ATOM 2324 C CA . VAL B 1 89 ? 26.290 18.774 24.520 1.00 10.84 0 B 2 -ATOM 2325 C C . VAL B 1 89 ? 25.311 17.899 23.733 1.00 12.72 0 B 2 -ATOM 2326 O O . VAL B 1 89 ? 24.318 18.391 23.175 1.00 12.31 0 B 2 -ATOM 2327 C CB . VAL B 1 89 ? 27.562 19.049 23.671 1.00 13.04 0 B 2 -ATOM 2328 C CG1 . VAL B 1 89 ? 27.184 19.540 22.268 1.00 14.12 0 B 2 -ATOM 2329 C CG2 . VAL B 1 89 ? 28.419 20.108 24.350 1.00 9.48 0 B 2 -ATOM 2330 N N . ASP B 1 90 ? 25.580 16.596 23.712 1.00 13.04 0 B 2 -ATOM 2331 C CA . ASP B 1 90 ? 24.740 15.647 22.992 1.00 12.60 0 B 2 -ATOM 2332 C C . ASP B 1 90 ? 23.372 15.656 23.623 1.00 14.82 0 B 2 -ATOM 2333 O O . ASP B 1 90 ? 22.361 15.743 22.929 1.00 16.20 0 B 2 -ATOM 2334 C CB . ASP B 1 90 ? 25.308 14.218 23.085 1.00 14.73 0 B 2 -ATOM 2335 C CG . ASP B 1 90 ? 26.435 13.960 22.106 1.00 8.94 0 B 2 -ATOM 2336 O OD1 . ASP B 1 90 ? 26.458 14.617 21.050 1.00 11.82 0 B 2 -ATOM 2337 O OD2 . ASP B 1 90 ? 27.278 13.084 22.390 1.00 10.48 0 B 2 -ATOM 2338 N N . MET B 1 91 ? 23.351 15.584 24.951 1.00 15.38 0 B 2 -ATOM 2339 C CA . MET B 1 91 ? 22.116 15.554 25.718 1.00 9.69 0 B 2 -ATOM 2340 C C . MET B 1 91 ? 21.221 16.724 25.365 1.00 6.22 0 B 2 -ATOM 2341 O O . MET B 1 91 ? 20.010 16.558 25.201 1.00 9.91 0 B 2 -ATOM 2342 C CB . MET B 1 91 ? 22.442 15.538 27.201 1.00 7.41 0 B 2 -ATOM 2343 C CG . MET B 1 91 ? 21.266 15.243 28.102 1.00 14.08 0 B 2 -ATOM 2344 S SD . MET B 1 91 ? 21.895 15.024 29.750 1.00 21.25 0 B 2 -ATOM 2345 C CE . MET B 1 91 ? 22.153 16.687 30.211 1.00 26.47 0 B 2 -ATOM 2346 N N . VAL B 1 92 ? 21.811 17.909 25.239 1.00 9.36 0 B 2 -ATOM 2347 C CA . VAL B 1 92 ? 21.050 19.103 24.873 1.00 8.98 0 B 2 -ATOM 2348 C C . VAL B 1 92 ? 20.565 18.963 23.430 1.00 9.84 0 B 2 -ATOM 2349 O O . VAL B 1 92 ? 19.387 19.144 23.142 1.00 9.20 0 B 2 -ATOM 2350 C CB . VAL B 1 92 ? 21.905 20.384 24.943 1.00 9.32 0 B 2 -ATOM 2351 C CG1 . VAL B 1 92 ? 21.174 21.535 24.306 1.00 11.47 0 B 2 -ATOM 2352 C CG2 . VAL B 1 92 ? 22.233 20.713 26.374 1.00 5.81 0 B 2 -ATOM 2353 N N . ASN B 1 93 ? 21.472 18.608 22.530 1.00 11.65 0 B 2 -ATOM 2354 C CA . ASN B 1 93 ? 21.093 18.482 21.137 1.00 10.26 0 B 2 -ATOM 2355 C C . ASN B 1 93 ? 19.982 17.476 20.928 1.00 14.69 0 B 2 -ATOM 2356 O O . ASN B 1 93 ? 19.046 17.736 20.150 1.00 16.87 0 B 2 -ATOM 2357 C CB . ASN B 1 93 ? 22.282 18.132 20.252 1.00 11.24 0 B 2 -ATOM 2358 C CG . ASN B 1 93 ? 22.004 18.430 18.807 1.00 13.05 0 B 2 -ATOM 2359 N ND2 . ASN B 1 93 ? 21.935 19.719 18.482 1.00 9.83 0 B 2 -ATOM 2360 O OD1 . ASN B 1 93 ? 21.776 17.530 17.995 1.00 14.43 0 B 2 -ATOM 2361 N N . ASP B 1 94 ? 20.056 16.341 21.631 1.00 12.39 0 B 2 -ATOM 2362 C CA . ASP B 1 94 ? 19.028 15.295 21.517 1.00 9.81 0 B 2 -ATOM 2363 C C . ASP B 1 94 ? 17.675 15.837 21.956 1.00 10.61 0 B 2 -ATOM 2364 O O . ASP B 1 94 ? 16.646 15.524 21.352 1.00 8.62 0 B 2 -ATOM 2365 C CB . ASP B 1 94 ? 19.389 14.063 22.354 1.00 12.52 0 B 2 -ATOM 2366 C CG . ASP B 1 94 ? 20.554 13.285 21.800 1.00 16.62 0 B 2 -ATOM 2367 O OD1 . ASP B 1 94 ? 21.118 13.686 20.749 1.00 18.12 0 B 2 -ATOM 2368 O OD2 . ASP B 1 94 ? 20.921 12.277 22.422 1.00 23.08 0 B 2 -ATOM 2369 N N . GLY B 1 95 ? 17.680 16.647 23.009 1.00 7.99 0 B 2 -ATOM 2370 C CA . GLY B 1 95 ? 16.439 17.229 23.489 1.00 13.24 0 B 2 -ATOM 2371 C C . GLY B 1 95 ? 15.887 18.192 22.447 1.00 13.84 0 B 2 -ATOM 2372 O O . GLY B 1 95 ? 14.680 18.229 22.209 1.00 9.20 0 B 2 -ATOM 2373 N N . VAL B 1 96 ? 16.774 18.960 21.823 1.00 12.03 0 B 2 -ATOM 2374 C CA . VAL B 1 96 ? 16.376 19.905 20.791 1.00 13.90 0 B 2 -ATOM 2375 C C . VAL B 1 96 ? 15.741 19.109 19.663 1.00 13.45 0 B 2 -ATOM 2376 O O . VAL B 1 96 ? 14.640 19.438 19.206 1.00 19.59 0 B 2 -ATOM 2377 C CB . VAL B 1 96 ? 17.589 20.715 20.255 1.00 17.15 0 B 2 -ATOM 2378 C CG1 . VAL B 1 96 ? 17.169 21.616 19.098 1.00 15.07 0 B 2 -ATOM 2379 C CG2 . VAL B 1 96 ? 18.179 21.575 21.368 1.00 14.81 0 B 2 -ATOM 2380 N N . GLU B 1 97 ? 16.390 18.005 19.286 1.00 14.37 0 B 2 -ATOM 2381 C CA . GLU B 1 97 ? 15.902 17.148 18.199 1.00 16.17 0 B 2 -ATOM 2382 C C . GLU B 1 97 ? 14.502 16.614 18.507 1.00 12.68 0 B 2 -ATOM 2383 O O . GLU B 1 97 ? 13.605 16.672 17.664 1.00 19.00 0 B 2 -ATOM 2384 C CB . GLU B 1 97 ? 16.879 15.991 17.947 1.00 11.80 0 B 2 -ATOM 2385 C CG . GLU B 1 97 ? 16.406 14.963 16.908 1.00 13.83 0 B 2 -ATOM 2386 C CD . GLU B 1 97 ? 16.082 15.550 15.531 1.00 17.77 0 B 2 -ATOM 2387 O OE1 . GLU B 1 97 ? 16.470 16.701 15.233 1.00 15.40 0 B 2 -ATOM 2388 O OE2 . GLU B 1 97 ? 15.425 14.835 14.743 1.00 15.58 0 B 2 -ATOM 2389 N N . ASP B 1 98 ? 14.297 16.161 19.737 1.00 12.38 0 B 2 -ATOM 2390 C CA . ASP B 1 98 ? 13.003 15.647 20.135 1.00 13.84 0 B 2 -ATOM 2391 C C . ASP B 1 98 ? 11.925 16.706 19.941 1.00 13.89 0 B 2 -ATOM 2392 O O . ASP B 1 98 ? 10.830 16.415 19.442 1.00 10.86 0 B 2 -ATOM 2393 C CB . ASP B 1 98 ? 13.024 15.253 21.606 1.00 16.79 0 B 2 -ATOM 2394 C CG . ASP B 1 98 ? 13.632 13.889 21.849 1.00 15.21 0 B 2 -ATOM 2395 O OD1 . ASP B 1 98 ? 14.038 13.211 20.884 1.00 16.02 0 B 2 -ATOM 2396 O OD2 . ASP B 1 98 ? 13.696 13.506 23.030 1.00 23.06 0 B 2 -ATOM 2397 N N . LEU B 1 99 ? 12.208 17.918 20.403 1.00 14.52 0 B 2 -ATOM 2398 C CA . LEU B 1 99 ? 11.238 18.992 20.287 1.00 15.45 0 B 2 -ATOM 2399 C C . LEU B 1 99 ? 11.063 19.434 18.836 1.00 13.07 0 B 2 -ATOM 2400 O O . LEU B 1 99 ? 9.963 19.791 18.424 1.00 12.12 0 B 2 -ATOM 2401 C CB . LEU B 1 99 ? 11.611 20.166 21.204 1.00 13.16 0 B 2 -ATOM 2402 C CG . LEU B 1 99 ? 10.526 21.259 21.317 1.00 18.42 0 B 2 -ATOM 2403 C CD1 . LEU B 1 99 ? 9.139 20.651 21.558 1.00 15.59 0 B 2 -ATOM 2404 C CD2 . LEU B 1 99 ? 10.896 22.217 22.431 1.00 14.72 0 B 2 -ATOM 2405 N N . ARG B 1 100 ? 12.135 19.374 18.055 1.00 11.33 0 B 2 -ATOM 2406 C CA . ARG B 1 100 ? 12.040 19.765 16.652 1.00 14.66 0 B 2 -ATOM 2407 C C . ARG B 1 100 ? 11.149 18.796 15.877 1.00 14.20 0 B 2 -ATOM 2408 O O . ARG B 1 100 ? 10.434 19.200 14.960 1.00 18.91 0 B 2 -ATOM 2409 C CB . ARG B 1 100 ? 13.421 19.834 16.001 1.00 12.71 0 B 2 -ATOM 2410 C CG . ARG B 1 100 ? 13.366 20.363 14.577 1.00 7.31 0 B 2 -ATOM 2411 C CD . ARG B 1 100 ? 14.726 20.391 13.913 1.00 6.50 0 B 2 -ATOM 2412 N NE . ARG B 1 100 ? 15.672 21.276 14.589 1.00 11.92 0 B 2 -ATOM 2413 C CZ . ARG B 1 100 ? 15.663 22.599 14.496 1.00 13.14 0 B 2 -ATOM 2414 N NH1 . ARG B 1 100 ? 14.746 23.208 13.751 1.00 15.16 0 B 2 -ATOM 2415 N NH2 . ARG B 1 100 ? 16.574 23.320 15.135 1.00 11.67 0 B 2 -ATOM 2416 N N . CYS B 1 101 ? 11.193 17.519 16.241 1.00 7.87 0 B 2 -ATOM 2417 C CA . CYS B 1 101 ? 10.370 16.511 15.585 1.00 13.00 0 B 2 -ATOM 2418 C C . CYS B 1 101 ? 8.898 16.767 15.847 1.00 13.01 0 B 2 -ATOM 2419 O O . CYS B 1 101 ? 8.070 16.606 14.945 1.00 14.91 0 B 2 -ATOM 2420 C CB . CYS B 1 101 ? 10.723 15.101 16.058 1.00 14.48 0 B 2 -ATOM 2421 S SG . CYS B 1 101 ? 12.356 14.546 15.547 1.00 22.37 0 B 2 -ATOM 2422 N N . LYS B 1 102 ? 8.572 17.152 17.080 1.00 11.28 0 B 2 -ATOM 2423 C CA . LYS B 1 102 ? 7.185 17.456 17.436 1.00 10.20 0 B 2 -ATOM 2424 C C . LYS B 1 102 ? 6.746 18.710 16.674 1.00 12.22 0 B 2 -ATOM 2425 O O . LYS B 1 102 ? 5.640 18.763 16.133 1.00 20.46 0 B 2 -ATOM 2426 C CB . LYS B 1 102 ? 7.064 17.698 18.936 1.00 15.62 0 B 2 -ATOM 2427 C CG . LYS B 1 102 ? 7.374 16.485 19.782 1.00 22.65 0 B 2 -ATOM 2428 C CD . LYS B 1 102 ? 7.319 16.849 21.258 1.00 26.22 0 B 2 -ATOM 2429 C CE . LYS B 1 102 ? 7.335 15.604 22.128 1.00 31.09 0 B 2 -ATOM 2430 N NZ . LYS B 1 102 ? 7.447 15.928 23.580 1.00 37.97 0 B 2 -ATOM 2431 N N . TYR B 1 103 ? 7.631 19.700 16.608 1.00 16.57 0 B 2 -ATOM 2432 C CA . TYR B 1 103 ? 7.368 20.949 15.898 1.00 14.18 0 B 2 -ATOM 2433 C C . TYR B 1 103 ? 7.108 20.614 14.430 1.00 17.86 0 B 2 -ATOM 2434 O O . TYR B 1 103 ? 6.087 20.999 13.870 1.00 23.77 0 B 2 -ATOM 2435 C CB . TYR B 1 103 ? 8.595 21.854 16.008 1.00 19.00 0 B 2 -ATOM 2436 C CG . TYR B 1 103 ? 8.584 23.089 15.118 1.00 22.64 0 B 2 -ATOM 2437 C CD1 . TYR B 1 103 ? 7.957 24.266 15.528 1.00 16.72 0 B 2 -ATOM 2438 C CD2 . TYR B 1 103 ? 9.210 23.076 13.861 1.00 15.31 0 B 2 -ATOM 2439 C CE1 . TYR B 1 103 ? 7.946 25.402 14.708 1.00 16.96 0 B 2 -ATOM 2440 C CE2 . TYR B 1 103 ? 9.196 24.210 13.038 1.00 16.72 0 B 2 -ATOM 2441 C CZ . TYR B 1 103 ? 8.560 25.362 13.469 1.00 15.87 0 B 2 -ATOM 2442 O OH . TYR B 1 103 ? 8.501 26.460 12.652 1.00 16.12 0 B 2 -ATOM 2443 N N . ILE B 1 104 ? 8.021 19.865 13.826 1.00 16.36 0 B 2 -ATOM 2444 C CA . ILE B 1 104 ? 7.892 19.488 12.440 1.00 11.43 0 B 2 -ATOM 2445 C C . ILE B 1 104 ? 6.565 18.771 12.227 1.00 16.27 0 B 2 -ATOM 2446 O O . ILE B 1 104 ? 5.788 19.116 11.335 1.00 21.02 0 B 2 -ATOM 2447 C CB . ILE B 1 104 ? 9.075 18.617 12.030 1.00 15.23 0 B 2 -ATOM 2448 C CG1 . ILE B 1 104 ? 10.334 19.480 11.940 1.00 13.26 0 B 2 -ATOM 2449 C CG2 . ILE B 1 104 ? 8.790 17.919 10.699 1.00 16.32 0 B 2 -ATOM 2450 C CD1 . ILE B 1 104 ? 11.625 18.693 11.741 1.00 5.97 0 B 2 -ATOM 2451 N N . SER B 1 105 ? 6.269 17.831 13.110 1.00 19.94 0 B 2 -ATOM 2452 C CA . SER B 1 105 ? 5.027 17.075 13.018 1.00 22.11 0 B 2 -ATOM 2453 C C . SER B 1 105 ? 3.825 18.020 13.001 1.00 20.95 0 B 2 -ATOM 2454 O O . SER B 1 105 ? 2.921 17.855 12.192 1.00 12.98 0 B 2 -ATOM 2455 C CB . SER B 1 105 ? 4.917 16.116 14.198 1.00 22.80 0 B 2 -ATOM 2456 O OG . SER B 1 105 ? 3.831 15.243 14.033 1.00 28.87 0 B 2 -ATOM 2457 N N . LEU B 1 106 ? 3.812 19.005 13.892 1.00 19.90 0 B 2 -ATOM 2458 C CA . LEU B 1 106 ? 2.699 19.950 13.929 1.00 21.12 0 B 2 -ATOM 2459 C C . LEU B 1 106 ? 2.588 20.669 12.595 1.00 19.03 0 B 2 -ATOM 2460 O O . LEU B 1 106 ? 1.585 20.568 11.896 1.00 22.25 0 B 2 -ATOM 2461 C CB . LEU B 1 106 ? 2.908 20.983 15.031 1.00 20.42 0 B 2 -ATOM 2462 C CG . LEU B 1 106 ? 1.895 22.141 15.093 1.00 21.59 0 B 2 -ATOM 2463 C CD1 . LEU B 1 106 ? 0.530 21.634 15.549 1.00 15.85 0 B 2 -ATOM 2464 C CD2 . LEU B 1 106 ? 2.418 23.214 16.045 1.00 18.89 0 B 2 -ATOM 2465 N N . ILE B 1 107 ? 3.668 21.337 12.223 1.00 19.23 0 B 2 -ATOM 2466 C CA . ILE B 1 107 ? 3.738 22.111 11.000 1.00 19.98 0 B 2 -ATOM 2467 C C . ILE B 1 107 ? 3.248 21.399 9.759 1.00 18.68 0 B 2 -ATOM 2468 O O . ILE B 1 107 ? 2.576 22.005 8.924 1.00 21.89 0 B 2 -ATOM 2469 C CB . ILE B 1 107 ? 5.181 22.588 10.744 1.00 22.31 0 B 2 -ATOM 2470 C CG1 . ILE B 1 107 ? 5.652 23.469 11.904 1.00 16.47 0 B 2 -ATOM 2471 C CG2 . ILE B 1 107 ? 5.285 23.337 9.407 1.00 22.52 0 B 2 -ATOM 2472 C CD1 . ILE B 1 107 ? 4.816 24.695 12.112 1.00 13.73 0 B 2 -ATOM 2473 N N . TYR B 1 108 ? 3.574 20.115 9.636 1.00 17.22 0 B 2 -ATOM 2474 C CA . TYR B 1 108 ? 3.203 19.333 8.453 1.00 20.06 0 B 2 -ATOM 2475 C C . TYR B 1 108 ? 2.051 18.301 8.636 1.00 21.94 0 B 2 -ATOM 2476 O O . TYR B 1 108 ? 1.342 17.983 7.684 1.00 28.10 0 B 2 -ATOM 2477 C CB . TYR B 1 108 ? 4.482 18.642 7.891 1.00 20.75 0 B 2 -ATOM 2478 C CG . TYR B 1 108 ? 5.598 19.596 7.379 1.00 20.47 0 B 2 -ATOM 2479 C CD1 . TYR B 1 108 ? 5.520 20.182 6.111 1.00 19.86 0 B 2 -ATOM 2480 C CD2 . TYR B 1 108 ? 6.699 19.921 8.170 1.00 22.86 0 B 2 -ATOM 2481 C CE1 . TYR B 1 108 ? 6.480 21.056 5.646 1.00 14.96 0 B 2 -ATOM 2482 C CE2 . TYR B 1 108 ? 7.674 20.802 7.714 1.00 24.86 0 B 2 -ATOM 2483 C CZ . TYR B 1 108 ? 7.544 21.351 6.433 1.00 22.75 0 B 2 -ATOM 2484 O OH . TYR B 1 108 ? 8.504 22.145 5.872 1.00 26.87 0 B 2 -ATOM 2485 N N . THR B 1 109 ? 1.794 17.868 9.865 1.00 27.30 0 B 2 -ATOM 2486 C CA . THR B 1 109 ? 0.761 16.858 10.110 1.00 30.81 0 B 2 -ATOM 2487 C C . THR B 1 109 ? -0.598 17.374 10.539 1.00 30.77 0 B 2 -ATOM 2488 O O . THR B 1 109 ? -1.628 16.905 10.056 1.00 30.62 0 B 2 -ATOM 2489 C CB . THR B 1 109 ? 1.283 15.787 11.086 1.00 29.42 0 B 2 -ATOM 2490 C CG2 . THR B 1 109 ? 0.167 14.894 11.619 1.00 36.15 0 B 2 -ATOM 2491 O OG1 . THR B 1 109 ? 2.247 14.982 10.397 1.00 35.24 0 B 2 -ATOM 2492 N N . ASN B 1 110 ? -0.608 18.335 11.449 1.00 28.95 0 B 2 -ATOM 2493 C CA . ASN B 1 110 ? -1.872 18.890 11.890 1.00 33.26 0 B 2 -ATOM 2494 C C . ASN B 1 110 ? -1.713 20.226 12.575 1.00 32.66 0 B 2 -ATOM 2495 O O . ASN B 1 110 ? -1.934 20.365 13.778 1.00 30.82 0 B 2 -ATOM 2496 C CB . ASN B 1 110 ? -2.663 17.897 12.754 1.00 38.70 0 B 2 -ATOM 2497 C CG . ASN B 1 110 ? -1.934 17.501 14.021 1.00 40.80 0 B 2 -ATOM 2498 N ND2 . ASN B 1 110 ? -0.621 17.319 13.942 1.00 41.82 0 B 2 -ATOM 2499 O OD1 . ASN B 1 110 ? -2.557 17.350 15.066 1.00 39.91 0 B 2 -ATOM 2500 N N . TYR B 1 111 ? -1.362 21.225 11.772 1.00 32.60 0 B 2 -ATOM 2501 C CA . TYR B 1 111 ? -1.164 22.580 12.257 1.00 31.75 0 B 2 -ATOM 2502 C C . TYR B 1 111 ? -2.432 23.184 12.877 1.00 31.60 0 B 2 -ATOM 2503 O O . TYR B 1 111 ? -2.421 23.628 14.020 1.00 33.61 0 B 2 -ATOM 2504 C CB . TYR B 1 111 ? -0.673 23.471 11.122 1.00 24.96 0 B 2 -ATOM 2505 C CG . TYR B 1 111 ? -0.277 24.846 11.593 1.00 27.87 0 B 2 -ATOM 2506 C CD1 . TYR B 1 111 ? -1.238 25.837 11.810 1.00 29.51 0 B 2 -ATOM 2507 C CD2 . TYR B 1 111 ? 1.050 25.150 11.870 1.00 25.98 0 B 2 -ATOM 2508 C CE1 . TYR B 1 111 ? -0.886 27.092 12.293 1.00 30.27 0 B 2 -ATOM 2509 C CE2 . TYR B 1 111 ? 1.415 26.399 12.351 1.00 23.37 0 B 2 -ATOM 2510 C CZ . TYR B 1 111 ? 0.439 27.364 12.563 1.00 30.66 0 B 2 -ATOM 2511 O OH . TYR B 1 111 ? 0.781 28.601 13.049 1.00 31.25 0 B 2 -ATOM 2512 N N . GLU B 1 112 ? -3.531 23.174 12.129 1.00 37.95 0 B 2 -ATOM 2513 C CA . GLU B 1 112 ? -4.787 23.763 12.590 1.00 40.32 0 B 2 -ATOM 2514 C C . GLU B 1 112 ? -5.379 23.105 13.821 1.00 39.96 0 B 2 -ATOM 2515 O O . GLU B 1 112 ? -5.812 23.788 14.748 1.00 37.48 0 B 2 -ATOM 2516 C CB . GLU B 1 112 ? -5.833 23.756 11.470 1.00 45.58 0 B 2 -ATOM 2517 C CG . GLU B 1 112 ? -5.518 24.649 10.279 1.00 57.87 0 B 2 -ATOM 2518 C CD . GLU B 1 112 ? -4.276 24.207 9.516 1.00 66.43 0 B 2 -ATOM 2519 O OE1 . GLU B 1 112 ? -4.153 23.001 9.197 1.00 69.25 0 B 2 -ATOM 2520 O OE2 . GLU B 1 112 ? -3.418 25.070 9.224 1.00 70.22 0 B 2 -ATOM 2521 N N . ALA B 1 113 ? -5.432 21.779 13.809 1.00 39.61 0 B 2 -ATOM 2522 C CA . ALA B 1 113 ? -6.006 21.032 14.924 1.00 39.70 0 B 2 -ATOM 2523 C C . ALA B 1 113 ? -5.135 20.979 16.182 1.00 39.13 0 B 2 -ATOM 2524 O O . ALA B 1 113 ? -5.643 21.147 17.301 1.00 37.61 0 B 2 -ATOM 2525 C CB . ALA B 1 113 ? -6.377 19.618 14.468 1.00 35.64 0 B 2 -ATOM 2526 N N . GLY B 1 114 ? -3.828 20.798 16.004 1.00 34.25 0 B 2 -ATOM 2527 C CA . GLY B 1 114 ? -2.960 20.686 17.160 1.00 32.91 0 B 2 -ATOM 2528 C C . GLY B 1 114 ? -2.219 21.893 17.702 1.00 34.64 0 B 2 -ATOM 2529 O O . GLY B 1 114 ? -1.600 21.790 18.765 1.00 39.67 0 B 2 -ATOM 2530 N N . LYS B 1 115 ? -2.307 23.038 17.033 1.00 29.92 0 B 2 -ATOM 2531 C CA . LYS B 1 115 ? -1.576 24.217 17.489 1.00 27.73 0 B 2 -ATOM 2532 C C . LYS B 1 115 ? -1.880 24.585 18.940 1.00 30.01 0 B 2 -ATOM 2533 O O . LYS B 1 115 ? -0.959 24.805 19.726 1.00 29.24 0 B 2 -ATOM 2534 C CB . LYS B 1 115 ? -1.843 25.409 16.564 1.00 28.93 0 B 2 -ATOM 2535 C CG . LYS B 1 115 ? -0.837 26.549 16.691 1.00 25.87 0 B 2 -ATOM 2536 C CD . LYS B 1 115 ? -1.191 27.659 15.735 1.00 24.67 0 B 2 -ATOM 2537 C CE . LYS B 1 115 ? -0.390 28.915 16.004 1.00 27.13 0 B 2 -ATOM 2538 N NZ . LYS B 1 115 ? 1.055 28.719 15.779 1.00 34.77 0 B 2 -ATOM 2539 N N . ASP B 1 116 ? -3.155 24.596 19.313 1.00 33.95 0 B 2 -ATOM 2540 C CA . ASP B 1 116 ? -3.525 24.954 20.689 1.00 35.51 0 B 2 -ATOM 2541 C C . ASP B 1 116 ? -2.889 24.028 21.704 1.00 29.03 0 B 2 -ATOM 2542 O O . ASP B 1 116 ? -2.236 24.464 22.654 1.00 28.61 0 B 2 -ATOM 2543 C CB . ASP B 1 116 ? -5.045 24.935 20.871 1.00 44.25 0 B 2 -ATOM 2544 C CG . ASP B 1 116 ? -5.750 25.992 20.041 1.00 51.75 0 B 2 -ATOM 2545 O OD1 . ASP B 1 116 ? -5.164 27.075 19.808 1.00 58.31 0 B 2 -ATOM 2546 O OD2 . ASP B 1 116 ? -6.898 25.740 19.619 1.00 58.15 0 B 2 -ATOM 2547 N N . ASP B 1 117 ? -3.052 22.736 21.481 1.00 28.73 0 B 2 -ATOM 2548 C CA . ASP B 1 117 ? -2.493 21.760 22.386 1.00 28.70 0 B 2 -ATOM 2549 C C . ASP B 1 117 ? -0.978 21.843 22.444 1.00 21.76 0 B 2 -ATOM 2550 O O . ASP B 1 117 ? -0.385 21.714 23.510 1.00 20.81 0 B 2 -ATOM 2551 C CB . ASP B 1 117 ? -2.956 20.366 21.988 1.00 29.74 0 B 2 -ATOM 2552 C CG . ASP B 1 117 ? -4.429 20.132 22.300 1.00 35.26 0 B 2 -ATOM 2553 O OD1 . ASP B 1 117 ? -4.985 20.800 23.210 1.00 35.44 0 B 2 -ATOM 2554 O OD2 . ASP B 1 117 ? -5.033 19.268 21.635 1.00 41.24 0 B 2 -ATOM 2555 N N . TYR B 1 118 ? -0.366 22.140 21.307 1.00 23.96 0 B 2 -ATOM 2556 C CA . TYR B 1 118 ? 1.076 22.238 21.219 1.00 19.97 0 B 2 -ATOM 2557 C C . TYR B 1 118 ? 1.578 23.423 22.039 1.00 17.13 0 B 2 -ATOM 2558 O O . TYR B 1 118 ? 2.510 23.297 22.843 1.00 17.96 0 B 2 -ATOM 2559 C CB . TYR B 1 118 ? 1.491 22.380 19.751 1.00 18.94 0 B 2 -ATOM 2560 C CG . TYR B 1 118 ? 2.984 22.273 19.524 1.00 22.33 0 B 2 -ATOM 2561 C CD1 . TYR B 1 118 ? 3.794 23.397 19.583 1.00 18.69 0 B 2 -ATOM 2562 C CD2 . TYR B 1 118 ? 3.587 21.039 19.279 1.00 13.45 0 B 2 -ATOM 2563 C CE1 . TYR B 1 118 ? 5.161 23.297 19.411 1.00 20.36 0 B 2 -ATOM 2564 C CE2 . TYR B 1 118 ? 4.957 20.929 19.105 1.00 16.72 0 B 2 -ATOM 2565 C CZ . TYR B 1 118 ? 5.738 22.076 19.175 1.00 19.14 0 B 2 -ATOM 2566 O OH . TYR B 1 118 ? 7.107 22.029 19.021 1.00 11.54 0 B 2 -ATOM 2567 N N . VAL B 1 119 ? 0.930 24.565 21.847 1.00 23.85 0 B 2 -ATOM 2568 C CA . VAL B 1 119 ? 1.303 25.788 22.539 1.00 25.99 0 B 2 -ATOM 2569 C C . VAL B 1 119 ? 1.066 25.648 24.036 1.00 28.40 0 B 2 -ATOM 2570 O O . VAL B 1 119 ? 1.823 26.195 24.842 1.00 25.88 0 B 2 -ATOM 2571 C CB . VAL B 1 119 ? 0.552 27.007 21.946 1.00 28.98 0 B 2 -ATOM 2572 C CG1 . VAL B 1 119 ? 0.776 28.255 22.806 1.00 29.15 0 B 2 -ATOM 2573 C CG2 . VAL B 1 119 ? 1.016 27.254 20.500 1.00 17.09 0 B 2 -ATOM 2574 N N . LYS B 1 120 ? 0.029 24.897 24.407 1.00 30.15 0 B 2 -ATOM 2575 C CA . LYS B 1 120 ? -0.264 24.670 25.818 1.00 34.33 0 B 2 -ATOM 2576 C C . LYS B 1 120 ? 0.852 23.840 26.437 1.00 30.92 0 B 2 -ATOM 2577 O O . LYS B 1 120 ? 1.265 24.095 27.564 1.00 29.87 0 B 2 -ATOM 2578 C CB . LYS B 1 120 ? -1.598 23.939 25.987 1.00 39.46 0 B 2 -ATOM 2579 C CG . LYS B 1 120 ? -2.811 24.809 25.756 1.00 53.02 0 B 2 -ATOM 2580 C CD . LYS B 1 120 ? -4.067 23.959 25.742 1.00 60.62 0 B 2 -ATOM 2581 C CE . LYS B 1 120 ? -5.319 24.802 25.567 1.00 64.46 0 B 2 -ATOM 2582 N NZ . LYS B 1 120 ? -6.497 23.933 25.258 1.00 70.16 0 B 2 -ATOM 2583 N N . ALA B 1 121 ? 1.363 22.869 25.684 1.00 22.35 0 B 2 -ATOM 2584 C CA . ALA B 1 121 ? 2.428 22.010 26.184 1.00 24.36 0 B 2 -ATOM 2585 C C . ALA B 1 121 ? 3.828 22.630 26.114 1.00 20.41 0 B 2 -ATOM 2586 O O . ALA B 1 121 ? 4.726 22.213 26.848 1.00 24.85 0 B 2 -ATOM 2587 C CB . ALA B 1 121 ? 2.402 20.669 25.444 1.00 20.94 0 B 2 -ATOM 2588 N N . LEU B 1 122 ? 4.005 23.658 25.293 1.00 15.49 0 B 2 -ATOM 2589 C CA . LEU B 1 122 ? 5.314 24.283 25.142 1.00 19.00 0 B 2 -ATOM 2590 C C . LEU B 1 122 ? 6.102 24.596 26.411 1.00 18.30 0 B 2 -ATOM 2591 O O . LEU B 1 122 ? 7.260 24.172 26.541 1.00 23.78 0 B 2 -ATOM 2592 C CB . LEU B 1 122 ? 5.235 25.538 24.263 1.00 14.40 0 B 2 -ATOM 2593 C CG . LEU B 1 122 ? 5.884 25.429 22.880 1.00 17.81 0 B 2 -ATOM 2594 C CD1 . LEU B 1 122 ? 6.131 26.829 22.300 1.00 16.25 0 B 2 -ATOM 2595 C CD2 . LEU B 1 122 ? 7.188 24.657 22.970 1.00 13.02 0 B 2 -ATOM 2596 N N . PRO B 1 123 ? 5.510 25.325 27.364 1.00 18.24 0 B 2 -ATOM 2597 C CA . PRO B 1 123 ? 6.236 25.646 28.598 1.00 19.61 0 B 2 -ATOM 2598 C C . PRO B 1 123 ? 7.035 24.468 29.166 1.00 18.22 0 B 2 -ATOM 2599 O O . PRO B 1 123 ? 8.232 24.584 29.446 1.00 13.70 0 B 2 -ATOM 2600 C CB . PRO B 1 123 ? 5.114 26.081 29.542 1.00 21.71 0 B 2 -ATOM 2601 C CG . PRO B 1 123 ? 4.145 26.740 28.618 1.00 12.17 0 B 2 -ATOM 2602 C CD . PRO B 1 123 ? 4.104 25.787 27.451 1.00 17.58 0 B 2 -ATOM 2603 N N . GLY B 1 124 ? 6.370 23.325 29.263 1.00 20.98 0 B 2 -ATOM 2604 C CA . GLY B 1 124 ? 7.008 22.130 29.779 1.00 20.86 0 B 2 -ATOM 2605 C C . GLY B 1 124 ? 8.130 21.604 28.901 1.00 16.94 0 B 2 -ATOM 2606 O O . GLY B 1 124 ? 9.083 21.007 29.403 1.00 22.74 0 B 2 -ATOM 2607 N N . GLN B 1 125 ? 8.027 21.838 27.595 1.00 15.11 0 B 2 -ATOM 2608 C CA . GLN B 1 125 ? 9.038 21.382 26.653 1.00 15.19 0 B 2 -ATOM 2609 C C . GLN B 1 125 ? 10.251 22.292 26.663 1.00 13.14 0 B 2 -ATOM 2610 O O . GLN B 1 125 ? 11.356 21.868 26.334 1.00 19.56 0 B 2 -ATOM 2611 C CB . GLN B 1 125 ? 8.458 21.335 25.239 1.00 16.11 0 B 2 -ATOM 2612 C CG . GLN B 1 125 ? 7.275 20.389 25.083 1.00 20.92 0 B 2 -ATOM 2613 C CD . GLN B 1 125 ? 7.649 18.949 25.366 1.00 25.52 0 B 2 -ATOM 2614 N NE2 . GLN B 1 125 ? 8.726 18.489 24.746 1.00 26.48 0 B 2 -ATOM 2615 O OE1 . GLN B 1 125 ? 6.984 18.259 26.140 1.00 26.29 0 B 2 -ATOM 2616 N N . LEU B 1 126 ? 10.039 23.552 27.016 1.00 14.89 0 B 2 -ATOM 2617 C CA . LEU B 1 126 ? 11.124 24.530 27.051 1.00 15.96 0 B 2 -ATOM 2618 C C . LEU B 1 126 ? 11.818 24.542 28.399 1.00 17.08 0 B 2 -ATOM 2619 O O . LEU B 1 126 ? 13.022 24.790 28.476 1.00 20.75 0 B 2 -ATOM 2620 C CB . LEU B 1 126 ? 10.588 25.931 26.734 1.00 16.96 0 B 2 -ATOM 2621 C CG . LEU B 1 126 ? 9.995 26.125 25.341 1.00 17.57 0 B 2 -ATOM 2622 C CD1 . LEU B 1 126 ? 9.413 27.536 25.191 1.00 15.98 0 B 2 -ATOM 2623 C CD2 . LEU B 1 126 ? 11.085 25.858 24.309 1.00 20.24 0 B 2 -ATOM 2624 N N . LYS B 1 127 ? 11.054 24.267 29.453 1.00 21.06 0 B 2 -ATOM 2625 C CA . LYS B 1 127 ? 11.562 24.219 30.822 1.00 23.43 0 B 2 -ATOM 2626 C C . LYS B 1 127 ? 12.930 23.530 30.985 1.00 22.54 0 B 2 -ATOM 2627 O O . LYS B 1 127 ? 13.791 24.036 31.710 1.00 22.29 0 B 2 -ATOM 2628 C CB . LYS B 1 127 ? 10.529 23.540 31.719 1.00 28.89 0 B 2 -ATOM 2629 C CG . LYS B 1 127 ? 10.049 24.396 32.876 1.00 37.23 0 B 2 -ATOM 2630 C CD . LYS B 1 127 ? 8.808 23.799 33.506 1.00 42.49 0 B 2 -ATOM 2631 C CE . LYS B 1 127 ? 8.202 24.721 34.545 1.00 47.02 0 B 2 -ATOM 2632 N NZ . LYS B 1 127 ? 6.843 24.245 34.915 1.00 50.63 0 B 2 -ATOM 2633 N N . PRO B 1 128 ? 13.137 22.359 30.340 1.00 19.21 0 B 2 -ATOM 2634 C CA . PRO B 1 128 ? 14.436 21.678 30.470 1.00 17.04 0 B 2 -ATOM 2635 C C . PRO B 1 128 ? 15.660 22.522 30.059 1.00 16.86 0 B 2 -ATOM 2636 O O . PRO B 1 128 ? 16.725 22.448 30.685 1.00 17.37 0 B 2 -ATOM 2637 C CB . PRO B 1 128 ? 14.271 20.462 29.555 1.00 17.39 0 B 2 -ATOM 2638 C CG . PRO B 1 128 ? 12.812 20.150 29.675 1.00 19.10 0 B 2 -ATOM 2639 C CD . PRO B 1 128 ? 12.184 21.527 29.576 1.00 12.84 0 B 2 -ATOM 2640 N N . PHE B 1 129 ? 15.494 23.360 29.042 1.00 15.22 0 B 2 -ATOM 2641 C CA . PHE B 1 129 ? 16.606 24.184 28.564 1.00 17.42 0 B 2 -ATOM 2642 C C . PHE B 1 129 ? 16.895 25.364 29.481 1.00 17.17 0 B 2 -ATOM 2643 O O . PHE B 1 129 ? 18.045 25.770 29.646 1.00 14.35 0 B 2 -ATOM 2644 C CB . PHE B 1 129 ? 16.350 24.604 27.116 1.00 11.90 0 B 2 -ATOM 2645 C CG . PHE B 1 129 ? 16.091 23.442 26.218 1.00 16.61 0 B 2 -ATOM 2646 C CD1 . PHE B 1 129 ? 17.140 22.629 25.791 1.00 17.88 0 B 2 -ATOM 2647 C CD2 . PHE B 1 129 ? 14.792 23.094 25.868 1.00 17.70 0 B 2 -ATOM 2648 C CE1 . PHE B 1 129 ? 16.894 21.485 25.034 1.00 17.94 0 B 2 -ATOM 2649 C CE2 . PHE B 1 129 ? 14.536 21.944 25.106 1.00 19.09 0 B 2 -ATOM 2650 C CZ . PHE B 1 129 ? 15.589 21.138 24.695 1.00 8.60 0 B 2 -ATOM 2651 N N . GLU B 1 130 ? 15.852 25.866 30.123 1.00 17.70 0 B 2 -ATOM 2652 C CA . GLU B 1 130 ? 15.985 26.974 31.070 1.00 18.86 0 B 2 -ATOM 2653 C C . GLU B 1 130 ? 16.747 26.417 32.295 1.00 18.28 0 B 2 -ATOM 2654 O O . GLU B 1 130 ? 17.729 27.013 32.762 1.00 19.21 0 B 2 -ATOM 2655 C CB . GLU B 1 130 ? 14.579 27.499 31.440 1.00 18.24 0 B 2 -ATOM 2656 C CG . GLU B 1 130 ? 14.510 28.643 32.458 1.00 19.04 0 B 2 -ATOM 2657 C CD . GLU B 1 130 ? 14.987 29.993 31.934 1.00 20.57 0 B 2 -ATOM 2658 O OE1 . GLU B 1 130 ? 15.338 30.108 30.742 1.00 22.44 0 B 2 -ATOM 2659 O OE2 . GLU B 1 130 ? 15.003 30.949 32.731 1.00 15.29 0 B 2 -ATOM 2660 N N . THR B 1 131 ? 16.358 25.217 32.729 1.00 20.89 0 B 2 -ATOM 2661 C CA . THR B 1 131 ? 16.976 24.544 33.862 1.00 17.30 0 B 2 -ATOM 2662 C C . THR B 1 131 ? 18.452 24.317 33.597 1.00 17.68 0 B 2 -ATOM 2663 O O . THR B 1 131 ? 19.293 24.602 34.453 1.00 22.51 0 B 2 -ATOM 2664 C CB . THR B 1 131 ? 16.289 23.199 34.136 1.00 20.96 0 B 2 -ATOM 2665 C CG2 . THR B 1 131 ? 16.888 22.528 35.371 1.00 23.00 0 B 2 -ATOM 2666 O OG1 . THR B 1 131 ? 14.888 23.417 34.337 1.00 22.20 0 B 2 -ATOM 2667 N N . LEU B 1 132 ? 18.757 23.799 32.411 1.00 16.96 0 B 2 -ATOM 2668 C CA . LEU B 1 132 ? 20.142 23.547 31.995 1.00 20.31 0 B 2 -ATOM 2669 C C . LEU B 1 132 ? 20.949 24.826 32.145 1.00 20.33 0 B 2 -ATOM 2670 O O . LEU B 1 132 ? 22.056 24.832 32.688 1.00 20.23 0 B 2 -ATOM 2671 C CB . LEU B 1 132 ? 20.163 23.120 30.526 1.00 17.56 0 B 2 -ATOM 2672 C CG . LEU B 1 132 ? 19.867 21.647 30.302 1.00 20.00 0 B 2 -ATOM 2673 C CD1 . LEU B 1 132 ? 19.517 21.382 28.858 1.00 16.07 0 B 2 -ATOM 2674 C CD2 . LEU B 1 132 ? 21.095 20.867 30.719 1.00 18.95 0 B 2 -ATOM 2675 N N . LEU B 1 133 ? 20.347 25.915 31.691 1.00 23.10 0 B 2 -ATOM 2676 C CA . LEU B 1 133 ? 20.960 27.224 31.749 1.00 21.20 0 B 2 -ATOM 2677 C C . LEU B 1 133 ? 21.234 27.659 33.192 1.00 19.95 0 B 2 -ATOM 2678 O O . LEU B 1 133 ? 22.335 28.115 33.506 1.00 24.25 0 B 2 -ATOM 2679 C CB . LEU B 1 133 ? 20.059 28.232 31.046 1.00 17.55 0 B 2 -ATOM 2680 C CG . LEU B 1 133 ? 20.647 29.033 29.893 1.00 20.13 0 B 2 -ATOM 2681 C CD1 . LEU B 1 133 ? 21.746 28.256 29.196 1.00 19.19 0 B 2 -ATOM 2682 C CD2 . LEU B 1 133 ? 19.520 29.385 28.919 1.00 12.12 0 B 2 -ATOM 2683 N N . SER B 1 134 ? 20.265 27.496 34.084 1.00 21.03 0 B 2 -ATOM 2684 C CA . SER B 1 134 ? 20.462 27.897 35.475 1.00 22.63 0 B 2 -ATOM 2685 C C . SER B 1 134 ? 21.562 27.098 36.171 1.00 23.34 0 B 2 -ATOM 2686 O O . SER B 1 134 ? 22.098 27.531 37.196 1.00 23.80 0 B 2 -ATOM 2687 C CB . SER B 1 134 ? 19.161 27.771 36.269 1.00 17.88 0 B 2 -ATOM 2688 O OG . SER B 1 134 ? 18.793 26.408 36.416 1.00 25.31 0 B 2 -ATOM 2689 N N . GLN B 1 135 ? 21.891 25.932 35.630 1.00 24.21 0 B 2 -ATOM 2690 C CA . GLN B 1 135 ? 22.927 25.102 36.239 1.00 24.74 0 B 2 -ATOM 2691 C C . GLN B 1 135 ? 24.317 25.380 35.688 1.00 23.07 0 B 2 -ATOM 2692 O O . GLN B 1 135 ? 25.315 24.845 36.180 1.00 25.24 0 B 2 -ATOM 2693 C CB . GLN B 1 135 ? 22.576 23.626 36.090 1.00 22.15 0 B 2 -ATOM 2694 C CG . GLN B 1 135 ? 21.291 23.255 36.786 1.00 28.93 0 B 2 -ATOM 2695 C CD . GLN B 1 135 ? 20.722 21.941 36.294 1.00 33.29 0 B 2 -ATOM 2696 N NE2 . GLN B 1 135 ? 19.763 21.407 37.036 1.00 30.68 0 B 2 -ATOM 2697 O OE1 . GLN B 1 135 ? 21.133 21.413 35.257 1.00 36.02 0 B 2 -ATOM 2698 N N . ASN B 1 136 ? 24.393 26.248 34.693 1.00 24.65 0 B 2 -ATOM 2699 C CA . ASN B 1 136 ? 25.670 26.578 34.085 1.00 23.45 0 B 2 -ATOM 2700 C C . ASN B 1 136 ? 25.952 28.076 34.172 1.00 24.28 0 B 2 -ATOM 2701 O O . ASN B 1 136 ? 25.565 28.846 33.302 1.00 22.10 0 B 2 -ATOM 2702 C CB . ASN B 1 136 ? 25.673 26.103 32.626 1.00 22.01 0 B 2 -ATOM 2703 C CG . ASN B 1 136 ? 26.978 26.384 31.919 1.00 19.62 0 B 2 -ATOM 2704 N ND2 . ASN B 1 136 ? 28.070 26.372 32.663 1.00 21.96 0 B 2 -ATOM 2705 O OD1 . ASN B 1 136 ? 27.015 26.555 30.702 1.00 27.05 0 B 2 -ATOM 2706 N N . GLN B 1 137 ? 26.615 28.484 35.253 1.00 32.94 0 B 2 -ATOM 2707 C CA . GLN B 1 137 ? 26.976 29.882 35.488 1.00 35.56 0 B 2 -ATOM 2708 C C . GLN B 1 137 ? 25.800 30.841 35.410 1.00 34.51 0 B 2 -ATOM 2709 O O . GLN B 1 137 ? 25.911 31.930 34.846 1.00 36.90 0 B 2 -ATOM 2710 C CB . GLN B 1 137 ? 28.060 30.348 34.519 1.00 41.22 0 B 2 -ATOM 2711 C CG . GLN B 1 137 ? 29.379 29.633 34.674 1.00 50.17 0 B 2 -ATOM 2712 C CD . GLN B 1 137 ? 30.504 30.359 33.974 1.00 58.75 0 B 2 -ATOM 2713 N NE2 . GLN B 1 137 ? 31.446 30.869 34.756 1.00 64.72 0 B 2 -ATOM 2714 O OE1 . GLN B 1 137 ? 30.528 30.470 32.744 1.00 63.00 0 B 2 -ATOM 2715 N N . GLY B 1 138 ? 24.660 30.402 35.920 1.00 30.72 0 B 2 -ATOM 2716 C CA . GLY B 1 138 ? 23.481 31.246 35.930 1.00 28.77 0 B 2 -ATOM 2717 C C . GLY B 1 138 ? 22.964 31.613 34.563 1.00 26.54 0 B 2 -ATOM 2718 O O . GLY B 1 138 ? 22.333 32.657 34.406 1.00 27.81 0 B 2 -ATOM 2719 N N . GLY B 1 139 ? 23.256 30.775 33.570 1.00 27.34 0 B 2 -ATOM 2720 C CA . GLY B 1 139 ? 22.786 31.024 32.221 1.00 31.49 0 B 2 -ATOM 2721 C C . GLY B 1 139 ? 23.441 32.208 31.552 1.00 31.30 0 B 2 -ATOM 2722 O O . GLY B 1 139 ? 22.931 32.708 30.554 1.00 34.21 0 B 2 -ATOM 2723 N N . LYS B 1 140 ? 24.588 32.631 32.067 1.00 30.40 0 B 2 -ATOM 2724 C CA . LYS B 1 140 ? 25.299 33.771 31.516 1.00 26.34 0 B 2 -ATOM 2725 C C . LYS B 1 140 ? 26.100 33.485 30.256 1.00 22.39 0 B 2 -ATOM 2726 O O . LYS B 1 140 ? 26.272 34.371 29.426 1.00 27.20 0 B 2 -ATOM 2727 C CB . LYS B 1 140 ? 26.207 34.380 32.584 1.00 34.80 0 B 2 -ATOM 2728 C CG . LYS B 1 140 ? 25.813 35.790 33.006 1.00 45.10 0 B 2 -ATOM 2729 C CD . LYS B 1 140 ? 24.352 35.866 33.433 1.00 55.71 0 B 2 -ATOM 2730 C CE . LYS B 1 140 ? 23.928 37.305 33.694 1.00 61.59 0 B 2 -ATOM 2731 N NZ . LYS B 1 140 ? 22.507 37.371 34.121 1.00 61.43 0 B 2 -ATOM 2732 N N . THR B 1 141 ? 26.593 32.261 30.102 1.00 21.81 0 B 2 -ATOM 2733 C CA . THR B 1 141 ? 27.398 31.936 28.933 1.00 18.45 0 B 2 -ATOM 2734 C C . THR B 1 141 ? 26.710 31.109 27.846 1.00 23.00 0 B 2 -ATOM 2735 O O . THR B 1 141 ? 25.975 31.671 27.025 1.00 22.68 0 B 2 -ATOM 2736 C CB . THR B 1 141 ? 28.736 31.290 29.341 1.00 16.61 0 B 2 -ATOM 2737 C CG2 . THR B 1 141 ? 29.566 32.273 30.142 1.00 11.71 0 B 2 -ATOM 2738 O OG1 . THR B 1 141 ? 28.482 30.130 30.139 1.00 20.20 0 B 2 -ATOM 2739 N N . PHE B 1 142 ? 26.926 29.794 27.836 1.00 19.96 0 B 2 -ATOM 2740 C CA . PHE B 1 142 ? 26.340 28.933 26.815 1.00 16.47 0 B 2 -ATOM 2741 C C . PHE B 1 142 ? 25.537 27.796 27.411 1.00 13.47 0 B 2 -ATOM 2742 O O . PHE B 1 142 ? 25.478 27.668 28.628 1.00 15.59 0 B 2 -ATOM 2743 C CB . PHE B 1 142 ? 27.442 28.416 25.889 1.00 12.29 0 B 2 -ATOM 2744 C CG . PHE B 1 142 ? 28.209 29.521 25.213 1.00 14.33 0 B 2 -ATOM 2745 C CD1 . PHE B 1 142 ? 27.643 30.227 24.146 1.00 14.29 0 B 2 -ATOM 2746 C CD2 . PHE B 1 142 ? 29.455 29.908 25.681 1.00 14.55 0 B 2 -ATOM 2747 C CE1 . PHE B 1 142 ? 28.314 31.297 23.554 1.00 15.53 0 B 2 -ATOM 2748 C CE2 . PHE B 1 142 ? 30.141 30.979 25.095 1.00 16.31 0 B 2 -ATOM 2749 C CZ . PHE B 1 142 ? 29.565 31.679 24.034 1.00 16.20 0 B 2 -ATOM 2750 N N . ILE B 1 143 ? 24.932 26.962 26.571 1.00 14.04 0 B 2 -ATOM 2751 C CA . ILE B 1 143 ? 24.110 25.874 27.098 1.00 13.69 0 B 2 -ATOM 2752 C C . ILE B 1 143 ? 24.909 24.841 27.903 1.00 14.12 0 B 2 -ATOM 2753 O O . ILE B 1 143 ? 24.372 24.203 28.811 1.00 14.14 0 B 2 -ATOM 2754 C CB . ILE B 1 143 ? 23.241 25.197 26.006 1.00 5.42 0 B 2 -ATOM 2755 C CG1 . ILE B 1 143 ? 22.171 24.339 26.664 1.00 6.97 0 B 2 -ATOM 2756 C CG2 . ILE B 1 143 ? 24.078 24.371 25.081 1.00 2.54 0 B 2 -ATOM 2757 C CD1 . ILE B 1 143 ? 21.215 25.121 27.548 1.00 10.57 0 B 2 -ATOM 2758 N N . VAL B 1 144 ? 26.188 24.689 27.564 1.00 13.71 0 B 2 -ATOM 2759 C CA . VAL B 1 144 ? 27.082 23.766 28.251 1.00 13.16 0 B 2 -ATOM 2760 C C . VAL B 1 144 ? 28.479 24.376 28.272 1.00 15.36 0 B 2 -ATOM 2761 O O . VAL B 1 144 ? 29.023 24.731 27.222 1.00 17.05 0 B 2 -ATOM 2762 C CB . VAL B 1 144 ? 27.181 22.403 27.525 1.00 12.66 0 B 2 -ATOM 2763 C CG1 . VAL B 1 144 ? 28.320 21.576 28.124 1.00 7.81 0 B 2 -ATOM 2764 C CG2 . VAL B 1 144 ? 25.861 21.642 27.626 1.00 10.81 0 B 2 -ATOM 2765 N N . GLY B 1 145 ? 29.062 24.461 29.461 1.00 11.07 0 B 2 -ATOM 2766 C CA . GLY B 1 145 ? 30.403 25.009 29.587 1.00 14.99 0 B 2 -ATOM 2767 C C . GLY B 1 145 ? 30.481 26.500 29.321 1.00 14.24 0 B 2 -ATOM 2768 O O . GLY B 1 145 ? 29.464 27.195 29.341 1.00 13.15 0 B 2 -ATOM 2769 N N . ASP B 1 146 ? 31.688 27.002 29.087 1.00 21.64 0 B 2 -ATOM 2770 C CA . ASP B 1 146 ? 31.864 28.428 28.837 1.00 29.49 0 B 2 -ATOM 2771 C C . ASP B 1 146 ? 32.226 28.794 27.399 1.00 27.00 0 B 2 -ATOM 2772 O O . ASP B 1 146 ? 32.533 29.946 27.096 1.00 28.71 0 B 2 -ATOM 2773 C CB . ASP B 1 146 ? 32.890 29.009 29.813 1.00 34.77 0 B 2 -ATOM 2774 C CG . ASP B 1 146 ? 34.194 28.235 29.824 1.00 41.89 0 B 2 -ATOM 2775 O OD1 . ASP B 1 146 ? 34.577 27.645 28.786 1.00 47.12 0 B 2 -ATOM 2776 O OD2 . ASP B 1 146 ? 34.844 28.227 30.891 1.00 49.55 0 B 2 -ATOM 2777 N N . GLN B 1 147 ? 32.202 27.803 26.519 1.00 25.29 0 B 2 -ATOM 2778 C CA . GLN B 1 147 ? 32.510 28.027 25.115 1.00 27.54 0 B 2 -ATOM 2779 C C . GLN B 1 147 ? 31.279 27.557 24.343 1.00 25.52 0 B 2 -ATOM 2780 O O . GLN B 1 147 ? 30.567 26.654 24.796 1.00 19.49 0 B 2 -ATOM 2781 C CB . GLN B 1 147 ? 33.749 27.230 24.695 1.00 32.31 0 B 2 -ATOM 2782 C CG . GLN B 1 147 ? 33.707 25.767 25.140 1.00 48.14 0 B 2 -ATOM 2783 C CD . GLN B 1 147 ? 34.821 24.909 24.563 1.00 51.13 0 B 2 -ATOM 2784 N NE2 . GLN B 1 147 ? 34.720 24.572 23.271 1.00 48.56 0 B 2 -ATOM 2785 O OE1 . GLN B 1 147 ? 35.742 24.516 25.285 1.00 51.25 0 B 2 -ATOM 2786 N N . ILE B 1 148 ? 31.024 28.169 23.195 1.00 19.95 0 B 2 -ATOM 2787 C CA . ILE B 1 148 ? 29.858 27.824 22.390 1.00 18.81 0 B 2 -ATOM 2788 C C . ILE B 1 148 ? 29.994 26.441 21.741 1.00 19.26 0 B 2 -ATOM 2789 O O . ILE B 1 148 ? 31.104 25.992 21.471 1.00 18.93 0 B 2 -ATOM 2790 C CB . ILE B 1 148 ? 29.606 28.904 21.311 1.00 16.83 0 B 2 -ATOM 2791 C CG1 . ILE B 1 148 ? 28.132 28.911 20.914 1.00 18.74 0 B 2 -ATOM 2792 C CG2 . ILE B 1 148 ? 30.502 28.661 20.086 1.00 15.01 0 B 2 -ATOM 2793 C CD1 . ILE B 1 148 ? 27.721 30.118 20.121 1.00 14.19 0 B 2 -ATOM 2794 N N . SER B 1 149 ? 28.865 25.777 21.476 1.00 17.66 0 B 2 -ATOM 2795 C CA . SER B 1 149 ? 28.883 24.447 20.871 1.00 18.92 0 B 2 -ATOM 2796 C C . SER B 1 149 ? 27.770 24.337 19.835 1.00 14.12 0 B 2 -ATOM 2797 O O . SER B 1 149 ? 26.837 25.138 19.859 1.00 15.28 0 B 2 -ATOM 2798 C CB . SER B 1 149 ? 28.678 23.378 21.938 1.00 13.52 0 B 2 -ATOM 2799 O OG . SER B 1 149 ? 27.354 23.411 22.433 1.00 18.98 0 B 2 -ATOM 2800 N N . PHE B 1 150 ? 27.812 23.301 19.002 1.00 10.51 0 B 2 -ATOM 2801 C CA . PHE B 1 150 ? 26.778 23.147 17.971 1.00 14.62 0 B 2 -ATOM 2802 C C . PHE B 1 150 ? 25.386 23.070 18.582 1.00 13.35 0 B 2 -ATOM 2803 O O . PHE B 1 150 ? 24.400 23.464 17.956 1.00 17.57 0 B 2 -ATOM 2804 C CB . PHE B 1 150 ? 27.042 21.921 17.077 1.00 13.17 0 B 2 -ATOM 2805 C CG . PHE B 1 150 ? 26.930 20.601 17.789 1.00 14.56 0 B 2 -ATOM 2806 C CD1 . PHE B 1 150 ? 28.036 20.046 18.421 1.00 12.80 0 B 2 -ATOM 2807 C CD2 . PHE B 1 150 ? 25.723 19.915 17.830 1.00 12.22 0 B 2 -ATOM 2808 C CE1 . PHE B 1 150 ? 27.941 18.827 19.077 1.00 12.82 0 B 2 -ATOM 2809 C CE2 . PHE B 1 150 ? 25.623 18.688 18.489 1.00 12.77 0 B 2 -ATOM 2810 C CZ . PHE B 1 150 ? 26.733 18.145 19.117 1.00 12.23 0 B 2 -ATOM 2811 N N . ALA B 1 151 ? 25.308 22.597 19.819 1.00 12.32 0 B 2 -ATOM 2812 C CA . ALA B 1 151 ? 24.023 22.493 20.483 1.00 5.43 0 B 2 -ATOM 2813 C C . ALA B 1 151 ? 23.435 23.882 20.673 1.00 7.58 0 B 2 -ATOM 2814 O O . ALA B 1 151 ? 22.222 24.047 20.603 1.00 14.56 0 B 2 -ATOM 2815 C CB . ALA B 1 151 ? 24.167 21.792 21.806 1.00 7.30 0 B 2 -ATOM 2816 N N . ASP B 1 152 ? 24.291 24.880 20.877 1.00 9.19 0 B 2 -ATOM 2817 C CA . ASP B 1 152 ? 23.825 26.252 21.073 1.00 13.38 0 B 2 -ATOM 2818 C C . ASP B 1 152 ? 23.060 26.752 19.853 1.00 11.24 0 B 2 -ATOM 2819 O O . ASP B 1 152 ? 21.926 27.210 19.967 1.00 20.67 0 B 2 -ATOM 2820 C CB . ASP B 1 152 ? 25.000 27.191 21.317 1.00 13.77 0 B 2 -ATOM 2821 C CG . ASP B 1 152 ? 25.555 27.091 22.715 1.00 18.46 0 B 2 -ATOM 2822 O OD1 . ASP B 1 152 ? 24.822 27.421 23.672 1.00 17.57 0 B 2 -ATOM 2823 O OD2 . ASP B 1 152 ? 26.734 26.704 22.861 1.00 16.84 0 B 2 -ATOM 2824 N N . TYR B 1 153 ? 23.687 26.635 18.687 1.00 10.18 0 B 2 -ATOM 2825 C CA . TYR B 1 153 ? 23.113 27.075 17.411 1.00 14.20 0 B 2 -ATOM 2826 C C . TYR B 1 153 ? 21.807 26.342 17.121 1.00 14.21 0 B 2 -ATOM 2827 O O . TYR B 1 153 ? 20.828 26.951 16.687 1.00 19.16 0 B 2 -ATOM 2828 C CB . TYR B 1 153 ? 24.131 26.867 16.259 1.00 11.06 0 B 2 -ATOM 2829 C CG . TYR B 1 153 ? 25.429 27.689 16.369 1.00 15.33 0 B 2 -ATOM 2830 C CD1 . TYR B 1 153 ? 25.487 29.043 16.003 1.00 12.64 0 B 2 -ATOM 2831 C CD2 . TYR B 1 153 ? 26.613 27.086 16.791 1.00 11.01 0 B 2 -ATOM 2832 C CE1 . TYR B 1 153 ? 26.698 29.758 16.063 1.00 13.54 0 B 2 -ATOM 2833 C CE2 . TYR B 1 153 ? 27.802 27.787 16.851 1.00 15.55 0 B 2 -ATOM 2834 C CZ . TYR B 1 153 ? 27.834 29.110 16.493 1.00 15.26 0 B 2 -ATOM 2835 O OH . TYR B 1 153 ? 29.019 29.766 16.625 1.00 26.37 0 B 2 -ATOM 2836 N N . ASN B 1 154 ? 21.758 25.068 17.475 1.00 11.02 0 B 2 -ATOM 2837 C CA . ASN B 1 154 ? 20.553 24.272 17.262 1.00 12.36 0 B 2 -ATOM 2838 C C . ASN B 1 154 ? 19.450 24.721 18.232 1.00 11.59 0 B 2 -ATOM 2839 O O . ASN B 1 154 ? 18.301 24.958 17.818 1.00 16.37 0 B 2 -ATOM 2840 C CB . ASN B 1 154 ? 20.847 22.780 17.447 1.00 12.52 0 B 2 -ATOM 2841 C CG . ASN B 1 154 ? 19.900 21.897 16.668 1.00 14.34 0 B 2 -ATOM 2842 N ND2 . ASN B 1 154 ? 19.038 22.501 15.858 1.00 11.42 0 B 2 -ATOM 2843 O OD1 . ASN B 1 154 ? 19.955 20.674 16.776 1.00 21.88 0 B 2 -ATOM 2844 N N . LEU B 1 155 ? 19.801 24.890 19.507 1.00 13.04 0 B 2 -ATOM 2845 C CA . LEU B 1 155 ? 18.839 25.338 20.508 1.00 12.57 0 B 2 -ATOM 2846 C C . LEU B 1 155 ? 18.368 26.759 20.167 1.00 14.39 0 B 2 -ATOM 2847 O O . LEU B 1 155 ? 17.185 27.072 20.297 1.00 16.57 0 B 2 -ATOM 2848 C CB . LEU B 1 155 ? 19.455 25.324 21.909 1.00 9.91 0 B 2 -ATOM 2849 C CG . LEU B 1 155 ? 18.537 25.924 22.984 1.00 9.64 0 B 2 -ATOM 2850 C CD1 . LEU B 1 155 ? 17.228 25.143 23.085 1.00 5.79 0 B 2 -ATOM 2851 C CD2 . LEU B 1 155 ? 19.247 25.947 24.304 1.00 13.09 0 B 2 -ATOM 2852 N N . LEU B 1 156 ? 19.293 27.606 19.719 1.00 13.04 0 B 2 -ATOM 2853 C CA . LEU B 1 156 ? 18.954 28.973 19.365 1.00 15.72 0 B 2 -ATOM 2854 C C . LEU B 1 156 ? 17.886 28.943 18.285 1.00 13.78 0 B 2 -ATOM 2855 O O . LEU B 1 156 ? 16.836 29.576 18.429 1.00 19.57 0 B 2 -ATOM 2856 C CB . LEU B 1 156 ? 20.175 29.730 18.850 1.00 14.52 0 B 2 -ATOM 2857 C CG . LEU B 1 156 ? 19.832 31.143 18.355 1.00 12.15 0 B 2 -ATOM 2858 C CD1 . LEU B 1 156 ? 19.149 31.901 19.460 1.00 10.71 0 B 2 -ATOM 2859 C CD2 . LEU B 1 156 ? 21.098 31.863 17.897 1.00 11.55 0 B 2 -ATOM 2860 N N . ASP B 1 157 ? 18.119 28.158 17.238 1.00 13.43 0 B 2 -ATOM 2861 C CA . ASP B 1 157 ? 17.150 28.066 16.156 1.00 13.19 0 B 2 -ATOM 2862 C C . ASP B 1 157 ? 15.813 27.566 16.657 1.00 15.76 0 B 2 -ATOM 2863 O O . ASP B 1 157 ? 14.764 28.126 16.312 1.00 14.69 0 B 2 -ATOM 2864 C CB . ASP B 1 157 ? 17.641 27.154 15.041 1.00 13.71 0 B 2 -ATOM 2865 C CG . ASP B 1 157 ? 16.658 27.076 13.895 1.00 16.58 0 B 2 -ATOM 2866 O OD1 . ASP B 1 157 ? 16.411 28.118 13.260 1.00 20.52 0 B 2 -ATOM 2867 O OD2 . ASP B 1 157 ? 16.100 25.989 13.656 1.00 16.71 0 B 2 -ATOM 2868 N N . LEU B 1 158 ? 15.841 26.524 17.483 1.00 13.29 0 B 2 -ATOM 2869 C CA . LEU B 1 158 ? 14.611 25.974 18.026 1.00 10.71 0 B 2 -ATOM 2870 C C . LEU B 1 158 ? 13.844 27.121 18.688 1.00 14.58 0 B 2 -ATOM 2871 O O . LEU B 1 158 ? 12.655 27.346 18.413 1.00 12.64 0 B 2 -ATOM 2872 C CB . LEU B 1 158 ? 14.934 24.911 19.076 1.00 11.71 0 B 2 -ATOM 2873 C CG . LEU B 1 158 ? 13.759 24.107 19.624 1.00 13.22 0 B 2 -ATOM 2874 C CD1 . LEU B 1 158 ? 13.180 23.256 18.500 1.00 16.54 0 B 2 -ATOM 2875 C CD2 . LEU B 1 158 ? 14.228 23.211 20.758 1.00 15.64 0 B 2 -ATOM 2876 N N . LEU B 1 159 ? 14.551 27.863 19.534 1.00 11.92 0 B 2 -ATOM 2877 C CA . LEU B 1 159 ? 13.955 28.978 20.243 1.00 12.01 0 B 2 -ATOM 2878 C C . LEU B 1 159 ? 13.384 29.994 19.271 1.00 11.20 0 B 2 -ATOM 2879 O O . LEU B 1 159 ? 12.202 30.336 19.341 1.00 18.11 0 B 2 -ATOM 2880 C CB . LEU B 1 159 ? 14.981 29.614 21.169 1.00 9.78 0 B 2 -ATOM 2881 C CG . LEU B 1 159 ? 15.443 28.635 22.265 1.00 10.85 0 B 2 -ATOM 2882 C CD1 . LEU B 1 159 ? 16.471 29.304 23.166 1.00 3.71 0 B 2 -ATOM 2883 C CD2 . LEU B 1 159 ? 14.246 28.146 23.083 1.00 8.70 0 B 2 -ATOM 2884 N N . LEU B 1 160 ? 14.188 30.413 18.312 1.00 12.51 0 B 2 -ATOM 2885 C CA . LEU B 1 160 ? 13.714 31.374 17.330 1.00 14.29 0 B 2 -ATOM 2886 C C . LEU B 1 160 ? 12.431 30.936 16.635 1.00 16.44 0 B 2 -ATOM 2887 O O . LEU B 1 160 ? 11.438 31.669 16.659 1.00 17.78 0 B 2 -ATOM 2888 C CB . LEU B 1 160 ? 14.787 31.659 16.280 1.00 8.44 0 B 2 -ATOM 2889 C CG . LEU B 1 160 ? 16.004 32.432 16.798 1.00 9.43 0 B 2 -ATOM 2890 C CD1 . LEU B 1 160 ? 17.042 32.511 15.708 1.00 11.30 0 B 2 -ATOM 2891 C CD2 . LEU B 1 160 ? 15.614 33.825 17.271 1.00 12.74 0 B 2 -ATOM 2892 N N . ILE B 1 161 ? 12.403 29.715 16.098 1.00 17.98 0 B 2 -ATOM 2893 C CA . ILE B 1 161 ? 11.201 29.287 15.379 1.00 16.60 0 B 2 -ATOM 2894 C C . ILE B 1 161 ? 10.004 29.194 16.284 1.00 18.65 0 B 2 -ATOM 2895 O O . ILE B 1 161 ? 8.870 29.386 15.835 1.00 18.17 0 B 2 -ATOM 2896 C CB . ILE B 1 161 ? 11.375 27.970 14.614 1.00 17.00 0 B 2 -ATOM 2897 C CG1 . ILE B 1 161 ? 11.622 26.809 15.577 1.00 19.08 0 B 2 -ATOM 2898 C CG2 . ILE B 1 161 ? 12.482 28.103 13.596 1.00 13.07 0 B 2 -ATOM 2899 C CD1 . ILE B 1 161 ? 11.993 25.523 14.878 1.00 12.31 0 B 2 -ATOM 2900 N N . HIS B 1 162 ? 10.240 28.958 17.568 1.00 19.39 0 B 2 -ATOM 2901 C CA . HIS B 1 162 ? 9.127 28.885 18.483 1.00 21.06 0 B 2 -ATOM 2902 C C . HIS B 1 162 ? 8.535 30.244 18.808 1.00 17.69 0 B 2 -ATOM 2903 O O . HIS B 1 162 ? 7.331 30.371 18.943 1.00 13.11 0 B 2 -ATOM 2904 C CB . HIS B 1 162 ? 9.474 28.061 19.725 1.00 17.39 0 B 2 -ATOM 2905 C CG . HIS B 1 162 ? 9.343 26.595 19.499 1.00 19.64 0 B 2 -ATOM 2906 C CD2 . HIS B 1 162 ? 8.282 25.758 19.642 1.00 16.21 0 B 2 -ATOM 2907 N ND1 . HIS B 1 162 ? 10.350 25.837 18.949 1.00 16.20 0 B 2 -ATOM 2908 C CE1 . HIS B 1 162 ? 9.916 24.608 18.750 1.00 15.25 0 B 2 -ATOM 2909 N NE2 . HIS B 1 162 ? 8.660 24.536 19.164 1.00 10.85 0 B 2 -ATOM 2910 N N . GLU B 1 163 ? 9.364 31.276 18.812 1.00 15.81 0 B 2 -ATOM 2911 C CA . GLU B 1 163 ? 8.857 32.617 19.095 1.00 25.52 0 B 2 -ATOM 2912 C C . GLU B 1 163 ? 7.866 33.017 18.002 1.00 21.29 0 B 2 -ATOM 2913 O O . GLU B 1 163 ? 6.879 33.691 18.251 1.00 20.65 0 B 2 -ATOM 2914 C CB . GLU B 1 163 ? 9.994 33.647 19.170 1.00 27.23 0 B 2 -ATOM 2915 C CG . GLU B 1 163 ? 10.669 33.744 20.536 1.00 34.34 0 B 2 -ATOM 2916 C CD . GLU B 1 163 ? 9.930 34.655 21.508 1.00 37.64 0 B 2 -ATOM 2917 O OE1 . GLU B 1 163 ? 9.880 35.875 21.248 1.00 39.21 0 B 2 -ATOM 2918 O OE2 . GLU B 1 163 ? 9.432 34.162 22.545 1.00 36.34 0 B 2 -ATOM 2919 N N . VAL B 1 164 ? 8.132 32.564 16.787 1.00 21.83 0 B 2 -ATOM 2920 C CA . VAL B 1 164 ? 7.267 32.855 15.659 1.00 18.91 0 B 2 -ATOM 2921 C C . VAL B 1 164 ? 5.994 32.049 15.804 1.00 21.88 0 B 2 -ATOM 2922 O O . VAL B 1 164 ? 4.895 32.563 15.572 1.00 25.75 0 B 2 -ATOM 2923 C CB . VAL B 1 164 ? 7.946 32.501 14.338 1.00 19.56 0 B 2 -ATOM 2924 C CG1 . VAL B 1 164 ? 6.990 32.641 13.189 1.00 19.33 0 B 2 -ATOM 2925 C CG2 . VAL B 1 164 ? 9.158 33.390 14.126 1.00 17.02 0 B 2 -ATOM 2926 N N . LEU B 1 165 ? 6.143 30.801 16.229 1.00 19.99 0 B 2 -ATOM 2927 C CA . LEU B 1 165 ? 5.000 29.917 16.404 1.00 19.17 0 B 2 -ATOM 2928 C C . LEU B 1 165 ? 4.092 30.395 17.532 1.00 19.58 0 B 2 -ATOM 2929 O O . LEU B 1 165 ? 2.880 30.447 17.384 1.00 17.01 0 B 2 -ATOM 2930 C CB . LEU B 1 165 ? 5.492 28.509 16.706 1.00 20.52 0 B 2 -ATOM 2931 C CG . LEU B 1 165 ? 4.403 27.457 16.903 1.00 22.32 0 B 2 -ATOM 2932 C CD1 . LEU B 1 165 ? 3.667 27.200 15.584 1.00 16.62 0 B 2 -ATOM 2933 C CD2 . LEU B 1 165 ? 5.056 26.192 17.407 1.00 17.85 0 B 2 -ATOM 2934 N N . ALA B 1 166 ? 4.691 30.707 18.671 1.00 20.59 0 B 2 -ATOM 2935 C CA . ALA B 1 166 ? 3.972 31.169 19.836 1.00 13.85 0 B 2 -ATOM 2936 C C . ALA B 1 166 ? 4.686 32.393 20.366 1.00 18.25 0 B 2 -ATOM 2937 O O . ALA B 1 166 ? 5.500 32.293 21.292 1.00 23.89 0 B 2 -ATOM 2938 C CB . ALA B 1 166 ? 3.954 30.089 20.885 1.00 16.69 0 B 2 -ATOM 2939 N N . PRO B 1 167 ? 4.400 33.569 19.790 1.00 22.86 0 B 2 -ATOM 2940 C CA . PRO B 1 167 ? 5.038 34.815 20.235 1.00 26.14 0 B 2 -ATOM 2941 C C . PRO B 1 167 ? 4.988 34.955 21.759 1.00 26.70 0 B 2 -ATOM 2942 O O . PRO B 1 167 ? 3.933 34.772 22.370 1.00 29.22 0 B 2 -ATOM 2943 C CB . PRO B 1 167 ? 4.193 35.899 19.551 1.00 21.52 0 B 2 -ATOM 2944 C CG . PRO B 1 167 ? 3.731 35.224 18.278 1.00 16.71 0 B 2 -ATOM 2945 C CD . PRO B 1 167 ? 3.354 33.835 18.776 1.00 18.57 0 B 2 -ATOM 2946 N N . GLY B 1 168 ? 6.144 35.207 22.367 1.00 25.24 0 B 2 -ATOM 2947 C CA . GLY B 1 168 ? 6.202 35.375 23.805 1.00 21.07 0 B 2 -ATOM 2948 C C . GLY B 1 168 ? 6.370 34.130 24.659 1.00 21.79 0 B 2 -ATOM 2949 O O . GLY B 1 168 ? 6.466 34.231 25.884 1.00 19.89 0 B 2 -ATOM 2950 N N . CYS B 1 169 ? 6.492 32.965 24.033 1.00 23.97 0 B 2 -ATOM 2951 C CA . CYS B 1 169 ? 6.668 31.716 24.779 1.00 24.34 0 B 2 -ATOM 2952 C C . CYS B 1 169 ? 7.935 31.743 25.644 1.00 22.77 0 B 2 -ATOM 2953 O O . CYS B 1 169 ? 8.128 30.898 26.516 1.00 31.69 0 B 2 -ATOM 2954 C CB . CYS B 1 169 ? 6.744 30.551 23.804 1.00 16.41 0 B 2 -ATOM 2955 S SG . CYS B 1 169 ? 7.998 30.829 22.588 1.00 17.08 0 B 2 -ATOM 2956 N N . LEU B 1 170 ? 8.804 32.713 25.398 1.00 24.39 0 B 2 -ATOM 2957 C CA . LEU B 1 170 ? 10.030 32.821 26.172 1.00 20.35 0 B 2 -ATOM 2958 C C . LEU B 1 170 ? 9.920 33.803 27.332 1.00 19.19 0 B 2 -ATOM 2959 O O . LEU B 1 170 ? 10.837 33.919 28.138 1.00 19.72 0 B 2 -ATOM 2960 C CB . LEU B 1 170 ? 11.189 33.192 25.259 1.00 17.15 0 B 2 -ATOM 2961 C CG . LEU B 1 170 ? 12.183 32.079 24.940 1.00 16.80 0 B 2 -ATOM 2962 C CD1 . LEU B 1 170 ? 11.502 30.752 24.734 1.00 10.63 0 B 2 -ATOM 2963 C CD2 . LEU B 1 170 ? 12.971 32.460 23.728 1.00 5.27 0 B 2 -ATOM 2964 N N . ASP B 1 171 ? 8.783 34.483 27.438 1.00 21.29 0 B 2 -ATOM 2965 C CA . ASP B 1 171 ? 8.574 35.448 28.519 1.00 24.45 0 B 2 -ATOM 2966 C C . ASP B 1 171 ? 8.707 34.815 29.899 1.00 23.44 0 B 2 -ATOM 2967 O O . ASP B 1 171 ? 9.242 35.432 30.816 1.00 20.90 0 B 2 -ATOM 2968 C CB . ASP B 1 171 ? 7.199 36.112 28.397 1.00 27.71 0 B 2 -ATOM 2969 C CG . ASP B 1 171 ? 7.102 37.050 27.207 1.00 28.64 0 B 2 -ATOM 2970 O OD1 . ASP B 1 171 ? 8.113 37.236 26.491 1.00 28.32 0 B 2 -ATOM 2971 O OD2 . ASP B 1 171 ? 5.999 37.601 26.985 1.00 31.45 0 B 2 -ATOM 2972 N N . ALA B 1 172 ? 8.237 33.582 30.033 1.00 24.48 0 B 2 -ATOM 2973 C CA . ALA B 1 172 ? 8.308 32.873 31.309 1.00 25.65 0 B 2 -ATOM 2974 C C . ALA B 1 172 ? 9.697 32.286 31.568 1.00 25.01 0 B 2 -ATOM 2975 O O . ALA B 1 172 ? 9.939 31.682 32.619 1.00 23.04 0 B 2 -ATOM 2976 C CB . ALA B 1 172 ? 7.262 31.776 31.350 1.00 30.50 0 B 2 -ATOM 2977 N N . PHE B 1 173 ? 10.617 32.496 30.630 1.00 26.18 0 B 2 -ATOM 2978 C CA . PHE B 1 173 ? 11.962 31.948 30.737 1.00 21.10 0 B 2 -ATOM 2979 C C . PHE B 1 173 ? 13.030 33.005 30.499 1.00 18.78 0 B 2 -ATOM 2980 O O . PHE B 1 173 ? 13.614 33.088 29.421 1.00 20.55 0 B 2 -ATOM 2981 C CB . PHE B 1 173 ? 12.110 30.800 29.742 1.00 21.10 0 B 2 -ATOM 2982 C CG . PHE B 1 173 ? 11.043 29.748 29.887 1.00 23.87 0 B 2 -ATOM 2983 C CD1 . PHE B 1 173 ? 11.038 28.896 30.998 1.00 18.46 0 B 2 -ATOM 2984 C CD2 . PHE B 1 173 ? 10.020 29.643 28.943 1.00 19.08 0 B 2 -ATOM 2985 C CE1 . PHE B 1 173 ? 10.038 27.962 31.170 1.00 14.23 0 B 2 -ATOM 2986 C CE2 . PHE B 1 173 ? 9.008 28.711 29.102 1.00 18.91 0 B 2 -ATOM 2987 C CZ . PHE B 1 173 ? 9.014 27.866 30.221 1.00 25.29 0 B 2 -ATOM 2988 N N . PRO B 1 174 ? 13.346 33.784 31.536 1.00 15.72 0 B 2 -ATOM 2989 C CA . PRO B 1 174 ? 14.341 34.856 31.501 1.00 16.41 0 B 2 -ATOM 2990 C C . PRO B 1 174 ? 15.720 34.444 30.987 1.00 19.36 0 B 2 -ATOM 2991 O O . PRO B 1 174 ? 16.333 35.162 30.185 1.00 21.01 0 B 2 -ATOM 2992 C CB . PRO B 1 174 ? 14.396 35.322 32.959 1.00 16.86 0 B 2 -ATOM 2993 C CG . PRO B 1 174 ? 13.885 34.126 33.738 1.00 16.59 0 B 2 -ATOM 2994 C CD . PRO B 1 174 ? 12.759 33.655 32.882 1.00 14.44 0 B 2 -ATOM 2995 N N . LEU B 1 175 ? 16.224 33.302 31.439 1.00 20.80 0 B 2 -ATOM 2996 C CA . LEU B 1 175 ? 17.527 32.846 30.981 1.00 21.32 0 B 2 -ATOM 2997 C C . LEU B 1 175 ? 17.506 32.579 29.467 1.00 18.16 0 B 2 -ATOM 2998 O O . LEU B 1 175 ? 18.360 33.078 28.740 1.00 13.77 0 B 2 -ATOM 2999 C CB . LEU B 1 175 ? 17.967 31.612 31.775 1.00 23.44 0 B 2 -ATOM 3000 C CG . LEU B 1 175 ? 18.789 31.827 33.058 1.00 21.58 0 B 2 -ATOM 3001 C CD1 . LEU B 1 175 ? 18.549 33.192 33.688 1.00 17.52 0 B 2 -ATOM 3002 C CD2 . LEU B 1 175 ? 18.498 30.712 34.038 1.00 13.25 0 B 2 -ATOM 3003 N N . LEU B 1 176 ? 16.464 31.904 28.991 1.00 17.16 0 B 2 -ATOM 3004 C CA . LEU B 1 176 ? 16.341 31.600 27.563 1.00 17.61 0 B 2 -ATOM 3005 C C . LEU B 1 176 ? 16.238 32.883 26.770 1.00 17.18 0 B 2 -ATOM 3006 O O . LEU B 1 176 ? 16.918 33.037 25.760 1.00 19.88 0 B 2 -ATOM 3007 C CB . LEU B 1 176 ? 15.118 30.713 27.281 1.00 15.69 0 B 2 -ATOM 3008 C CG . LEU B 1 176 ? 15.254 29.249 27.711 1.00 14.41 0 B 2 -ATOM 3009 C CD1 . LEU B 1 176 ? 13.960 28.469 27.424 1.00 11.72 0 B 2 -ATOM 3010 C CD2 . LEU B 1 176 ? 16.442 28.612 27.012 1.00 9.36 0 B 2 -ATOM 3011 N N . SER B 1 177 ? 15.388 33.797 27.228 1.00 15.10 0 B 2 -ATOM 3012 C CA . SER B 1 177 ? 15.203 35.085 26.569 1.00 16.57 0 B 2 -ATOM 3013 C C . SER B 1 177 ? 16.525 35.813 26.443 1.00 18.74 0 B 2 -ATOM 3014 O O . SER B 1 177 ? 16.914 36.205 25.341 1.00 20.73 0 B 2 -ATOM 3015 C CB . SER B 1 177 ? 14.215 35.957 27.346 1.00 16.00 0 B 2 -ATOM 3016 O OG . SER B 1 177 ? 12.921 35.369 27.359 1.00 20.33 0 B 2 -ATOM 3017 N N . ALA B 1 178 ? 17.239 35.961 27.554 1.00 11.58 0 B 2 -ATOM 3018 C CA . ALA B 1 178 ? 18.519 36.654 27.519 1.00 17.06 0 B 2 -ATOM 3019 C C . ALA B 1 178 ? 19.512 35.903 26.634 1.00 14.46 0 B 2 -ATOM 3020 O O . ALA B 1 178 ? 20.284 36.522 25.908 1.00 15.80 0 B 2 -ATOM 3021 C CB . ALA B 1 178 ? 19.071 36.838 28.913 1.00 10.21 0 B 2 -ATOM 3022 N N . TYR B 1 179 ? 19.432 34.577 26.654 1.00 16.71 0 B 2 -ATOM 3023 C CA . TYR B 1 179 ? 20.294 33.711 25.864 1.00 12.14 0 B 2 -ATOM 3024 C C . TYR B 1 179 ? 20.073 34.017 24.385 1.00 7.51 0 B 2 -ATOM 3025 O O . TYR B 1 179 ? 21.018 34.296 23.645 1.00 15.37 0 B 2 -ATOM 3026 C CB . TYR B 1 179 ? 19.963 32.245 26.198 1.00 11.62 0 B 2 -ATOM 3027 C CG . TYR B 1 179 ? 20.612 31.186 25.338 1.00 11.65 0 B 2 -ATOM 3028 C CD1 . TYR B 1 179 ? 21.866 30.647 25.674 1.00 13.48 0 B 2 -ATOM 3029 C CD2 . TYR B 1 179 ? 19.936 30.638 24.241 1.00 10.91 0 B 2 -ATOM 3030 C CE1 . TYR B 1 179 ? 22.419 29.584 24.934 1.00 19.05 0 B 2 -ATOM 3031 C CE2 . TYR B 1 179 ? 20.478 29.575 23.498 1.00 20.66 0 B 2 -ATOM 3032 C CZ . TYR B 1 179 ? 21.717 29.049 23.850 1.00 21.12 0 B 2 -ATOM 3033 O OH . TYR B 1 179 ? 22.235 27.966 23.160 1.00 18.52 0 B 2 -ATOM 3034 N N . VAL B 1 180 ? 18.823 34.013 23.953 1.00 12.90 0 B 2 -ATOM 3035 C CA . VAL B 1 180 ? 18.510 34.299 22.563 1.00 13.81 0 B 2 -ATOM 3036 C C . VAL B 1 180 ? 19.065 35.663 22.162 1.00 20.60 0 B 2 -ATOM 3037 O O . VAL B 1 180 ? 19.788 35.769 21.173 1.00 20.35 0 B 2 -ATOM 3038 C CB . VAL B 1 180 ? 16.997 34.247 22.303 1.00 15.30 0 B 2 -ATOM 3039 C CG1 . VAL B 1 180 ? 16.659 34.798 20.902 1.00 18.53 0 B 2 -ATOM 3040 C CG2 . VAL B 1 180 ? 16.521 32.817 22.427 1.00 16.63 0 B 2 -ATOM 3041 N N . GLY B 1 181 ? 18.767 36.693 22.951 1.00 18.58 0 B 2 -ATOM 3042 C CA . GLY B 1 181 ? 19.261 38.029 22.635 1.00 12.06 0 B 2 -ATOM 3043 C C . GLY B 1 181 ? 20.777 38.063 22.565 1.00 18.34 0 B 2 -ATOM 3044 O O . GLY B 1 181 ? 21.359 38.506 21.574 1.00 22.58 0 B 2 -ATOM 3045 N N . ARG B 1 182 ? 21.421 37.517 23.584 1.00 16.53 0 B 2 -ATOM 3046 C CA . ARG B 1 182 ? 22.872 37.501 23.656 1.00 22.44 0 B 2 -ATOM 3047 C C . ARG B 1 182 ? 23.493 36.843 22.426 1.00 25.73 0 B 2 -ATOM 3048 O O . ARG B 1 182 ? 24.330 37.444 21.742 1.00 27.11 0 B 2 -ATOM 3049 C CB . ARG B 1 182 ? 23.303 36.758 24.912 1.00 19.69 0 B 2 -ATOM 3050 C CG . ARG B 1 182 ? 24.777 36.826 25.223 1.00 21.09 0 B 2 -ATOM 3051 C CD . ARG B 1 182 ? 25.131 35.760 26.252 1.00 22.39 0 B 2 -ATOM 3052 N NE . ARG B 1 182 ? 24.281 35.871 27.419 1.00 22.10 0 B 2 -ATOM 3053 C CZ . ARG B 1 182 ? 23.608 34.870 27.968 1.00 22.91 0 B 2 -ATOM 3054 N NH1 . ARG B 1 182 ? 23.690 33.638 27.474 1.00 16.66 0 B 2 -ATOM 3055 N NH2 . ARG B 1 182 ? 22.789 35.126 28.976 1.00 29.17 0 B 2 -ATOM 3056 N N . LEU B 1 183 ? 23.064 35.619 22.130 1.00 26.25 0 B 2 -ATOM 3057 C CA . LEU B 1 183 ? 23.605 34.904 20.984 1.00 22.67 0 B 2 -ATOM 3058 C C . LEU B 1 183 ? 23.300 35.631 19.680 1.00 18.30 0 B 2 -ATOM 3059 O O . LEU B 1 183 ? 24.168 35.781 18.809 1.00 13.93 0 B 2 -ATOM 3060 C CB . LEU B 1 183 ? 23.053 33.481 20.946 1.00 22.19 0 B 2 -ATOM 3061 C CG . LEU B 1 183 ? 23.669 32.509 21.946 1.00 22.41 0 B 2 -ATOM 3062 C CD1 . LEU B 1 183 ? 23.224 31.093 21.603 1.00 20.64 0 B 2 -ATOM 3063 C CD2 . LEU B 1 183 ? 25.178 32.588 21.847 1.00 19.56 0 B 2 -ATOM 3064 N N . SER B 1 184 ? 22.072 36.107 19.567 1.00 19.36 0 B 2 -ATOM 3065 C CA . SER B 1 184 ? 21.641 36.829 18.381 1.00 20.42 0 B 2 -ATOM 3066 C C . SER B 1 184 ? 22.456 38.104 18.171 1.00 20.33 0 B 2 -ATOM 3067 O O . SER B 1 184 ? 22.525 38.631 17.052 1.00 12.83 0 B 2 -ATOM 3068 C CB . SER B 1 184 ? 20.161 37.168 18.513 1.00 15.74 0 B 2 -ATOM 3069 O OG . SER B 1 184 ? 19.415 35.974 18.651 1.00 16.70 0 B 2 -ATOM 3070 N N . ALA B 1 185 ? 23.063 38.596 19.248 1.00 18.29 0 B 2 -ATOM 3071 C CA . ALA B 1 185 ? 23.863 39.811 19.186 1.00 23.43 0 B 2 -ATOM 3072 C C . ALA B 1 185 ? 25.294 39.585 18.697 1.00 26.18 0 B 2 -ATOM 3073 O O . ALA B 1 185 ? 25.993 40.546 18.346 1.00 24.92 0 B 2 -ATOM 3074 C CB . ALA B 1 185 ? 23.862 40.510 20.542 1.00 20.43 0 B 2 -ATOM 3075 N N . ARG B 1 186 ? 25.742 38.333 18.676 1.00 26.18 0 B 2 -ATOM 3076 C CA . ARG B 1 186 ? 27.095 38.042 18.204 1.00 26.64 0 B 2 -ATOM 3077 C C . ARG B 1 186 ? 27.238 38.612 16.785 1.00 28.41 0 B 2 -ATOM 3078 O O . ARG B 1 186 ? 26.524 38.207 15.865 1.00 30.13 0 B 2 -ATOM 3079 C CB . ARG B 1 186 ? 27.354 36.537 18.250 1.00 23.40 0 B 2 -ATOM 3080 C CG . ARG B 1 186 ? 27.354 35.993 19.670 1.00 18.60 0 B 2 -ATOM 3081 C CD . ARG B 1 186 ? 27.254 34.483 19.700 1.00 20.48 0 B 2 -ATOM 3082 N NE . ARG B 1 186 ? 28.424 33.805 19.145 1.00 25.07 0 B 2 -ATOM 3083 C CZ . ARG B 1 186 ? 29.484 33.416 19.848 1.00 26.64 0 B 2 -ATOM 3084 N NH1 . ARG B 1 186 ? 29.580 33.698 21.139 1.00 19.44 0 B 2 -ATOM 3085 N NH2 . ARG B 1 186 ? 30.482 32.785 19.244 1.00 23.60 0 B 2 -ATOM 3086 N N . PRO B 1 187 ? 28.192 39.535 16.588 1.00 30.59 0 B 2 -ATOM 3087 C CA . PRO B 1 187 ? 28.465 40.207 15.312 1.00 26.44 0 B 2 -ATOM 3088 C C . PRO B 1 187 ? 28.187 39.438 14.018 1.00 21.46 0 B 2 -ATOM 3089 O O . PRO B 1 187 ? 27.262 39.780 13.291 1.00 24.71 0 B 2 -ATOM 3090 C CB . PRO B 1 187 ? 29.930 40.616 15.454 1.00 30.16 0 B 2 -ATOM 3091 C CG . PRO B 1 187 ? 30.019 40.962 16.893 1.00 27.07 0 B 2 -ATOM 3092 C CD . PRO B 1 187 ? 29.272 39.810 17.554 1.00 28.27 0 B 2 -ATOM 3093 N N . LYS B 1 188 ? 28.964 38.396 13.747 1.00 21.60 0 B 2 -ATOM 3094 C CA . LYS B 1 188 ? 28.798 37.609 12.529 1.00 18.43 0 B 2 -ATOM 3095 C C . LYS B 1 188 ? 27.421 36.983 12.428 1.00 18.26 0 B 2 -ATOM 3096 O O . LYS B 1 188 ? 26.824 36.975 11.345 1.00 20.91 0 B 2 -ATOM 3097 C CB . LYS B 1 188 ? 29.874 36.534 12.426 1.00 18.51 0 B 2 -ATOM 3098 C CG . LYS B 1 188 ? 31.272 37.105 12.223 1.00 24.79 0 B 2 -ATOM 3099 C CD . LYS B 1 188 ? 32.341 36.019 12.087 1.00 29.19 0 B 2 -ATOM 3100 C CE . LYS B 1 188 ? 33.746 36.613 12.227 1.00 30.22 0 B 2 -ATOM 3101 N NZ . LYS B 1 188 ? 34.037 37.633 11.184 1.00 37.51 0 B 2 -ATOM 3102 N N . LEU B 1 189 ? 26.889 36.519 13.558 1.00 21.29 0 B 2 -ATOM 3103 C CA . LEU B 1 189 ? 25.562 35.898 13.594 1.00 18.96 0 B 2 -ATOM 3104 C C . LEU B 1 189 ? 24.491 36.936 13.298 1.00 17.64 0 B 2 -ATOM 3105 O O . LEU B 1 189 ? 23.609 36.700 12.471 1.00 21.16 0 B 2 -ATOM 3106 C CB . LEU B 1 189 ? 25.268 35.271 14.964 1.00 20.25 0 B 2 -ATOM 3107 C CG . LEU B 1 189 ? 24.724 33.833 14.947 1.00 20.25 0 B 2 -ATOM 3108 C CD1 . LEU B 1 189 ? 24.113 33.511 16.295 1.00 16.53 0 B 2 -ATOM 3109 C CD2 . LEU B 1 189 ? 23.703 33.634 13.835 1.00 14.65 0 B 2 -ATOM 3110 N N . LYS B 1 190 ? 24.587 38.084 13.964 1.00 14.01 0 B 2 -ATOM 3111 C CA . LYS B 1 190 ? 23.633 39.178 13.799 1.00 16.31 0 B 2 -ATOM 3112 C C . LYS B 1 190 ? 23.533 39.539 12.326 1.00 14.21 0 B 2 -ATOM 3113 O O . LYS B 1 190 ? 22.449 39.499 11.738 1.00 17.24 0 B 2 -ATOM 3114 C CB . LYS B 1 190 ? 24.088 40.396 14.605 1.00 22.64 0 B 2 -ATOM 3115 C CG . LYS B 1 190 ? 23.135 41.580 14.579 1.00 23.47 0 B 2 -ATOM 3116 C CD . LYS B 1 190 ? 23.607 42.635 15.565 1.00 31.13 0 B 2 -ATOM 3117 C CE . LYS B 1 190 ? 22.800 43.911 15.462 1.00 33.37 0 B 2 -ATOM 3118 N NZ . LYS B 1 190 ? 23.175 44.895 16.517 1.00 40.48 0 B 2 -ATOM 3119 N N . ALA B 1 191 ? 24.676 39.824 11.714 1.00 15.99 0 B 2 -ATOM 3120 C CA . ALA B 1 191 ? 24.720 40.178 10.301 1.00 18.03 0 B 2 -ATOM 3121 C C . ALA B 1 191 ? 24.076 39.076 9.451 1.00 20.66 0 B 2 -ATOM 3122 O O . ALA B 1 191 ? 23.297 39.368 8.542 1.00 26.50 0 B 2 -ATOM 3123 C CB . ALA B 1 191 ? 26.157 40.426 9.865 1.00 14.30 0 B 2 -ATOM 3124 N N . PHE B 1 192 ? 24.353 37.816 9.771 1.00 22.15 0 B 2 -ATOM 3125 C CA . PHE B 1 192 ? 23.784 36.708 9.013 1.00 14.39 0 B 2 -ATOM 3126 C C . PHE B 1 192 ? 22.284 36.690 9.173 1.00 11.67 0 B 2 -ATOM 3127 O O . PHE B 1 192 ? 21.540 36.674 8.200 1.00 19.68 0 B 2 -ATOM 3128 C CB . PHE B 1 192 ? 24.348 35.371 9.500 1.00 19.55 0 B 2 -ATOM 3129 C CG . PHE B 1 192 ? 23.697 34.172 8.852 1.00 19.45 0 B 2 -ATOM 3130 C CD1 . PHE B 1 192 ? 23.866 33.919 7.491 1.00 15.14 0 B 2 -ATOM 3131 C CD2 . PHE B 1 192 ? 22.919 33.295 9.607 1.00 17.19 0 B 2 -ATOM 3132 C CE1 . PHE B 1 192 ? 23.270 32.817 6.891 1.00 12.58 0 B 2 -ATOM 3133 C CE2 . PHE B 1 192 ? 22.316 32.186 9.013 1.00 14.15 0 B 2 -ATOM 3134 C CZ . PHE B 1 192 ? 22.495 31.944 7.650 1.00 12.14 0 B 2 -ATOM 3135 N N . LEU B 1 193 ? 21.834 36.745 10.413 1.00 13.49 0 B 2 -ATOM 3136 C CA . LEU B 1 193 ? 20.407 36.690 10.692 1.00 15.50 0 B 2 -ATOM 3137 C C . LEU B 1 193 ? 19.623 37.808 10.042 1.00 19.11 0 B 2 -ATOM 3138 O O . LEU B 1 193 ? 18.421 37.668 9.795 1.00 24.51 0 B 2 -ATOM 3139 C CB . LEU B 1 193 ? 20.166 36.714 12.196 1.00 12.08 0 B 2 -ATOM 3140 C CG . LEU B 1 193 ? 20.586 35.448 12.927 1.00 15.18 0 B 2 -ATOM 3141 C CD1 . LEU B 1 193 ? 20.542 35.684 14.433 1.00 8.36 0 B 2 -ATOM 3142 C CD2 . LEU B 1 193 ? 19.680 34.295 12.508 1.00 6.63 0 B 2 -ATOM 3143 N N . ALA B 1 194 ? 20.285 38.935 9.831 1.00 18.65 0 B 2 -ATOM 3144 C CA . ALA B 1 194 ? 19.635 40.075 9.225 1.00 19.38 0 B 2 -ATOM 3145 C C . ALA B 1 194 ? 19.770 40.047 7.707 1.00 19.83 0 B 2 -ATOM 3146 O O . ALA B 1 194 ? 19.070 40.777 7.003 1.00 23.33 0 B 2 -ATOM 3147 C CB . ALA B 1 194 ? 20.215 41.363 9.806 1.00 15.24 0 B 2 -ATOM 3148 N N . SER B 1 195 ? 20.623 39.167 7.195 1.00 21.13 0 B 2 -ATOM 3149 C CA . SER B 1 195 ? 20.852 39.094 5.757 1.00 17.90 0 B 2 -ATOM 3150 C C . SER B 1 195 ? 19.694 38.461 4.995 1.00 23.92 0 B 2 -ATOM 3151 O O . SER B 1 195 ? 18.961 37.612 5.532 1.00 22.17 0 B 2 -ATOM 3152 C CB . SER B 1 195 ? 22.152 38.344 5.457 1.00 15.47 0 B 2 -ATOM 3153 O OG . SER B 1 195 ? 21.954 36.937 5.484 1.00 21.25 0 B 2 -ATOM 3154 N N . PRO B 1 196 ? 19.515 38.866 3.715 1.00 25.26 0 B 2 -ATOM 3155 C CA . PRO B 1 196 ? 18.454 38.364 2.827 1.00 23.00 0 B 2 -ATOM 3156 C C . PRO B 1 196 ? 18.534 36.855 2.675 1.00 21.73 0 B 2 -ATOM 3157 O O . PRO B 1 196 ? 17.516 36.188 2.501 1.00 18.53 0 B 2 -ATOM 3158 C CB . PRO B 1 196 ? 18.771 39.049 1.497 1.00 24.29 0 B 2 -ATOM 3159 C CG . PRO B 1 196 ? 19.422 40.325 1.919 1.00 20.55 0 B 2 -ATOM 3160 C CD . PRO B 1 196 ? 20.329 39.892 3.031 1.00 15.32 0 B 2 -ATOM 3161 N N . GLU B 1 197 ? 19.761 36.350 2.741 1.00 20.96 0 B 2 -ATOM 3162 C CA . GLU B 1 197 ? 20.090 34.936 2.630 1.00 22.86 0 B 2 -ATOM 3163 C C . GLU B 1 197 ? 19.332 34.101 3.674 1.00 26.46 0 B 2 -ATOM 3164 O O . GLU B 1 197 ? 19.004 32.934 3.446 1.00 21.00 0 B 2 -ATOM 3165 C CB . GLU B 1 197 ? 21.582 34.806 2.862 1.00 26.21 0 B 2 -ATOM 3166 C CG . GLU B 1 197 ? 22.156 33.480 2.549 1.00 28.84 0 B 2 -ATOM 3167 C CD . GLU B 1 197 ? 23.632 33.458 2.813 1.00 25.99 0 B 2 -ATOM 3168 O OE1 . GLU B 1 197 ? 24.301 34.469 2.509 1.00 25.70 0 B 2 -ATOM 3169 O OE2 . GLU B 1 197 ? 24.117 32.429 3.323 1.00 29.94 0 B 2 -ATOM 3170 N N . TYR B 1 198 ? 19.077 34.710 4.827 1.00 27.33 0 B 2 -ATOM 3171 C CA . TYR B 1 198 ? 18.348 34.064 5.904 1.00 19.34 0 B 2 -ATOM 3172 C C . TYR B 1 198 ? 16.914 34.589 5.932 1.00 20.19 0 B 2 -ATOM 3173 O O . TYR B 1 198 ? 15.951 33.828 5.813 1.00 20.35 0 B 2 -ATOM 3174 C CB . TYR B 1 198 ? 19.024 34.371 7.245 1.00 15.45 0 B 2 -ATOM 3175 C CG . TYR B 1 198 ? 18.259 33.890 8.454 1.00 12.17 0 B 2 -ATOM 3176 C CD1 . TYR B 1 198 ? 18.409 32.597 8.922 1.00 9.87 0 B 2 -ATOM 3177 C CD2 . TYR B 1 198 ? 17.384 34.735 9.135 1.00 15.82 0 B 2 -ATOM 3178 C CE1 . TYR B 1 198 ? 17.715 32.141 10.031 1.00 12.46 0 B 2 -ATOM 3179 C CE2 . TYR B 1 198 ? 16.680 34.288 10.258 1.00 21.35 0 B 2 -ATOM 3180 C CZ . TYR B 1 198 ? 16.854 32.985 10.693 1.00 17.33 0 B 2 -ATOM 3181 O OH . TYR B 1 198 ? 16.155 32.514 11.781 1.00 19.87 0 B 2 -ATOM 3182 N N . VAL B 1 199 ? 16.790 35.902 6.068 1.00 19.14 0 B 2 -ATOM 3183 C CA . VAL B 1 199 ? 15.500 36.571 6.150 1.00 19.10 0 B 2 -ATOM 3184 C C . VAL B 1 199 ? 14.498 36.254 5.051 1.00 17.68 0 B 2 -ATOM 3185 O O . VAL B 1 199 ? 13.307 36.154 5.303 1.00 18.04 0 B 2 -ATOM 3186 C CB . VAL B 1 199 ? 15.677 38.113 6.229 1.00 20.97 0 B 2 -ATOM 3187 C CG1 . VAL B 1 199 ? 14.321 38.805 6.211 1.00 20.99 0 B 2 -ATOM 3188 C CG2 . VAL B 1 199 ? 16.428 38.511 7.480 1.00 17.13 0 B 2 -ATOM 3189 N N . ASN B 1 200 ? 14.966 36.102 3.826 1.00 21.55 0 B 2 -ATOM 3190 C CA . ASN B 1 200 ? 14.039 35.841 2.741 1.00 25.18 0 B 2 -ATOM 3191 C C . ASN B 1 200 ? 13.700 34.379 2.477 1.00 24.64 0 B 2 -ATOM 3192 O O . ASN B 1 200 ? 13.071 34.038 1.470 1.00 25.69 0 B 2 -ATOM 3193 C CB . ASN B 1 200 ? 14.494 36.583 1.483 1.00 24.45 0 B 2 -ATOM 3194 C CG . ASN B 1 200 ? 14.482 38.083 1.673 1.00 27.13 0 B 2 -ATOM 3195 N ND2 . ASN B 1 200 ? 15.410 38.779 1.036 1.00 28.21 0 B 2 -ATOM 3196 O OD1 . ASN B 1 200 ? 13.668 38.605 2.437 1.00 23.60 0 B 2 -ATOM 3197 N N . LEU B 1 201 ? 14.100 33.510 3.394 1.00 20.73 0 B 2 -ATOM 3198 C CA . LEU B 1 201 ? 13.821 32.092 3.271 1.00 15.96 0 B 2 -ATOM 3199 C C . LEU B 1 201 ? 12.687 31.771 4.228 1.00 19.98 0 B 2 -ATOM 3200 O O . LEU B 1 201 ? 12.683 32.238 5.367 1.00 25.50 0 B 2 -ATOM 3201 C CB . LEU B 1 201 ? 15.055 31.299 3.682 1.00 15.95 0 B 2 -ATOM 3202 C CG . LEU B 1 201 ? 15.633 30.325 2.665 1.00 18.38 0 B 2 -ATOM 3203 C CD1 . LEU B 1 201 ? 15.924 31.028 1.343 1.00 16.86 0 B 2 -ATOM 3204 C CD2 . LEU B 1 201 ? 16.892 29.696 3.232 1.00 12.46 0 B 2 -ATOM 3205 N N . PRO B 1 202 ? 11.658 31.042 3.758 1.00 18.50 0 B 2 -ATOM 3206 C CA . PRO B 1 202 ? 10.585 30.729 4.707 1.00 15.12 0 B 2 -ATOM 3207 C C . PRO B 1 202 ? 11.149 29.710 5.710 1.00 15.58 0 B 2 -ATOM 3208 O O . PRO B 1 202 ? 12.078 28.957 5.398 1.00 16.38 0 B 2 -ATOM 3209 C CB . PRO B 1 202 ? 9.518 30.101 3.808 1.00 14.29 0 B 2 -ATOM 3210 C CG . PRO B 1 202 ? 10.325 29.430 2.741 1.00 16.63 0 B 2 -ATOM 3211 C CD . PRO B 1 202 ? 11.392 30.463 2.433 1.00 16.20 0 B 2 -ATOM 3212 N N . ILE B 1 203 ? 10.606 29.701 6.922 1.00 14.53 0 B 2 -ATOM 3213 C CA . ILE B 1 203 ? 11.076 28.782 7.943 1.00 18.40 0 B 2 -ATOM 3214 C C . ILE B 1 203 ? 10.831 27.346 7.516 1.00 23.26 0 B 2 -ATOM 3215 O O . ILE B 1 203 ? 11.730 26.496 7.606 1.00 23.19 0 B 2 -ATOM 3216 C CB . ILE B 1 203 ? 10.385 29.049 9.287 1.00 12.52 0 B 2 -ATOM 3217 C CG1 . ILE B 1 203 ? 10.782 30.436 9.785 1.00 13.41 0 B 2 -ATOM 3218 C CG2 . ILE B 1 203 ? 10.775 27.980 10.288 1.00 10.56 0 B 2 -ATOM 3219 C CD1 . ILE B 1 203 ? 10.073 30.882 11.058 1.00 12.66 0 B 2 -ATOM 3220 N N . ASN B 1 204 ? 9.624 27.090 7.023 1.00 26.24 0 B 2 -ATOM 3221 C CA . ASN B 1 204 ? 9.225 25.770 6.568 1.00 19.80 0 B 2 -ATOM 3222 C C . ASN B 1 204 ? 8.805 25.805 5.097 1.00 21.93 0 B 2 -ATOM 3223 O O . ASN B 1 204 ? 8.604 26.865 4.507 1.00 22.04 0 B 2 -ATOM 3224 C CB . ASN B 1 204 ? 8.078 25.233 7.435 1.00 18.30 0 B 2 -ATOM 3225 C CG . ASN B 1 204 ? 8.414 25.234 8.901 1.00 14.35 0 B 2 -ATOM 3226 N ND2 . ASN B 1 204 ? 9.451 24.492 9.274 1.00 7.66 0 B 2 -ATOM 3227 O OD1 . ASN B 1 204 ? 7.771 25.915 9.697 1.00 21.92 0 B 2 -ATOM 3228 N N . GLY B 1 205 ? 8.685 24.622 4.516 1.00 26.54 0 B 2 -ATOM 3229 C CA . GLY B 1 205 ? 8.304 24.502 3.120 1.00 24.22 0 B 2 -ATOM 3230 C C . GLY B 1 205 ? 6.816 24.509 2.810 1.00 26.89 0 B 2 -ATOM 3231 O O . GLY B 1 205 ? 6.438 24.524 1.640 1.00 27.16 0 B 2 -ATOM 3232 N N . ASN B 1 206 ? 5.952 24.449 3.817 1.00 23.46 0 B 2 -ATOM 3233 C CA . ASN B 1 206 ? 4.528 24.462 3.522 1.00 25.80 0 B 2 -ATOM 3234 C C . ASN B 1 206 ? 3.898 25.822 3.817 1.00 28.61 0 B 2 -ATOM 3235 O O . ASN B 1 206 ? 2.678 25.980 3.774 1.00 25.95 0 B 2 -ATOM 3236 C CB . ASN B 1 206 ? 3.793 23.350 4.273 1.00 24.67 0 B 2 -ATOM 3237 C CG . ASN B 1 206 ? 3.733 23.594 5.757 1.00 28.71 0 B 2 -ATOM 3238 N ND2 . ASN B 1 206 ? 2.868 22.856 6.451 1.00 24.47 0 B 2 -ATOM 3239 O OD1 . ASN B 1 206 ? 4.471 24.439 6.283 1.00 27.42 0 B 2 -ATOM 3240 N N . GLY B 1 207 ? 4.734 26.801 4.136 1.00 33.24 0 B 2 -ATOM 3241 C CA . GLY B 1 207 ? 4.220 28.125 4.416 1.00 36.25 0 B 2 -ATOM 3242 C C . GLY B 1 207 ? 3.617 28.300 5.798 1.00 34.91 0 B 2 -ATOM 3243 O O . GLY B 1 207 ? 3.030 29.343 6.076 1.00 38.54 0 B 2 -ATOM 3244 N N . LYS B 1 208 ? 3.750 27.297 6.661 1.00 28.00 0 B 2 -ATOM 3245 C CA . LYS B 1 208 ? 3.220 27.397 8.012 1.00 23.51 0 B 2 -ATOM 3246 C C . LYS B 1 208 ? 4.384 27.631 8.964 1.00 24.82 0 B 2 -ATOM 3247 O O . LYS B 1 208 ? 5.484 27.139 8.732 1.00 26.76 0 B 2 -ATOM 3248 C CB . LYS B 1 208 ? 2.445 26.136 8.369 1.00 25.92 0 B 2 -ATOM 3249 C CG . LYS B 1 208 ? 1.196 25.946 7.518 1.00 30.95 0 B 2 -ATOM 3250 C CD . LYS B 1 208 ? 0.414 24.672 7.877 1.00 34.64 0 B 2 -ATOM 3251 C CE . LYS B 1 208 ? -0.960 24.634 7.186 1.00 35.28 0 B 2 -ATOM 3252 N NZ . LYS B 1 208 ? -1.688 23.358 7.440 1.00 28.67 0 B 2 -ATOM 3253 N N . GLN B 1 209 ? 4.160 28.447 9.988 1.00 24.80 0 B 2 -ATOM 3254 C CA . GLN B 1 209 ? 5.191 28.776 10.963 1.00 22.99 0 B 2 -ATOM 3255 C C . GLN B 1 209 ? 4.507 29.303 12.225 1.00 24.33 0 B 2 -ATOM 3256 O O . GLN B 1 209 ? 5.222 29.649 13.185 1.00 24.66 0 B 2 -ATOM 3257 C CB . GLN B 1 209 ? 6.111 29.861 10.402 1.00 21.13 0 B 2 -ATOM 3258 C CG . GLN B 1 209 ? 5.364 31.102 9.952 1.00 21.64 0 B 2 -ATOM 3259 C CD . GLN B 1 209 ? 6.274 32.270 9.702 1.00 23.83 0 B 2 -ATOM 3260 N NE2 . GLN B 1 209 ? 5.857 33.437 10.160 1.00 29.73 0 B 2 -ATOM 3261 O OE1 . GLN B 1 209 ? 7.347 32.132 9.120 1.00 34.40 0 B 2 -ATOM 3262 O OXT . GLN B 1 209 ? 3.255 29.390 12.227 1.00 27.65 0 B 2 -HETATM 3522 C CA1 . GSH C 2 210 ? 14.620 9.944 24.471 1.00 12.24 0 A 2 -HETATM 3523 C CA2 . GSH C 2 210 ? 9.972 6.870 27.416 1.00 32.10 0 A 2 -HETATM 3524 C CA3 . GSH C 2 210 ? 7.382 7.690 30.058 1.00 35.56 0 A 2 -HETATM 3525 C CB1 . GSH C 2 210 ? 13.269 9.240 24.530 1.00 19.73 0 A 2 -HETATM 3526 C CB2 . GSH C 2 210 ? 10.203 5.355 27.553 1.00 27.26 0 A 2 -HETATM 3527 C CG1 . GSH C 2 210 ? 12.953 8.661 25.906 1.00 25.96 0 A 2 -HETATM 3528 S SG2 . GSH C 2 210 ? 11.445 4.702 26.376 1.00 43.56 0 A 2 -HETATM 3529 C CD1 . GSH C 2 210 ? 11.578 8.022 25.987 1.00 30.29 0 A 2 -HETATM 3530 O OE1 . GSH C 2 210 ? 10.797 8.038 25.025 1.00 26.53 0 A 2 -HETATM 3531 C C1 . GSH C 2 210 ? 15.748 8.912 24.456 1.00 15.73 0 A 2 -HETATM 3532 N N1 . GSH C 2 210 ? 14.709 10.782 23.252 1.00 12.57 0 A 2 -HETATM 3533 C C2 . GSH C 2 210 ? 9.367 7.393 28.719 1.00 28.29 0 A 2 -HETATM 3534 N N2 . GSH C 2 210 ? 11.247 7.534 27.175 1.00 29.63 0 A 2 -HETATM 3535 O O2 . GSH C 2 210 ? 10.085 7.888 29.591 1.00 18.94 0 A 2 -HETATM 3536 C C3 . GSH C 2 210 ? 6.900 9.118 30.069 1.00 41.30 0 A 2 -HETATM 3537 N N3 . GSH C 2 210 ? 8.051 7.277 28.838 1.00 32.79 0 A 2 -HETATM 3538 O O11 . GSH C 2 210 ? 16.085 8.401 25.541 1.00 14.21 0 A 2 -HETATM 3539 O O12 . GSH C 2 210 ? 16.313 8.642 23.367 1.00 18.12 0 A 2 -HETATM 3540 O O31 . GSH C 2 210 ? 6.006 9.422 30.887 1.00 43.58 0 A 2 -HETATM 3541 O O32 . GSH C 2 210 ? 7.395 9.927 29.254 1.00 45.39 0 A 2 -HETATM 3542 O O . EAA D 3 211 ? 4.749 -0.572 30.486 0.60 58.18 0 A 2 -HETATM 3543 CL CL1 . EAA D 3 211 ? 7.876 1.145 28.984 0.60 47.50 0 A 2 -HETATM 3544 CL CL2 . EAA D 3 211 ? 9.523 2.135 26.645 0.60 47.26 0 A 2 -HETATM 3545 O OXT . EAA D 3 211 ? 2.804 0.354 30.925 0.60 58.96 0 A 2 -HETATM 3546 C C1 . EAA D 3 211 ? 5.792 2.737 28.081 0.60 44.16 0 A 2 -HETATM 3547 O O1 . EAA D 3 211 ? 7.585 5.197 23.931 0.60 29.23 0 A 2 -HETATM 3548 C C2 . EAA D 3 211 ? 7.126 2.310 27.876 0.60 42.93 0 A 2 -HETATM 3549 O O2 . EAA D 3 211 ? 5.105 2.179 29.165 0.60 48.44 0 A 2 -HETATM 3550 C C3 . EAA D 3 211 ? 7.888 2.804 26.805 0.60 40.98 0 A 2 -HETATM 3551 C C4 . EAA D 3 211 ? 7.323 3.776 25.899 0.60 39.07 0 A 2 -HETATM 3552 C C5 . EAA D 3 211 ? 5.988 4.198 26.130 0.60 39.84 0 A 2 -HETATM 3553 C C6 . EAA D 3 211 ? 5.243 3.689 27.199 0.60 40.30 0 A 2 -HETATM 3554 C C7 . EAA D 3 211 ? 8.095 4.372 24.703 0.60 35.56 0 A 2 -HETATM 3555 C C8 . EAA D 3 211 ? 9.610 3.985 24.411 0.60 33.23 0 A 2 -HETATM 3556 C C9 . EAA D 3 211 ? 9.877 3.313 23.052 0.60 38.08 0 A 2 -HETATM 3557 C C10 . EAA D 3 211 ? 11.186 2.516 22.922 0.60 27.69 0 A 2 -HETATM 3558 C C11 . EAA D 3 211 ? 10.673 5.025 24.773 0.60 37.58 0 A 2 -HETATM 3559 C C12 . EAA D 3 211 ? 4.021 1.197 29.035 0.60 52.14 0 A 2 -HETATM 3560 C C13 . EAA D 3 211 ? 3.853 0.273 30.243 0.60 56.88 0 A 2 -HETATM 3561 O O1 . MES E 4 212 ? 22.491 -6.351 35.913 1.00 38.43 0 A 2 -HETATM 3562 O O1S . MES E 4 212 ? 28.182 -8.205 31.032 1.00 51.85 0 A 2 -HETATM 3563 C C2 . MES E 4 212 ? 23.092 -5.558 34.837 1.00 35.66 0 A 2 -HETATM 3564 O O2S . MES E 4 212 ? 26.793 -10.400 31.060 1.00 41.86 0 A 2 -HETATM 3565 C C3 . MES E 4 212 ? 24.418 -6.194 34.354 1.00 39.12 0 A 2 -HETATM 3566 O O3S . MES E 4 212 ? 28.166 -9.663 33.185 1.00 48.20 0 A 2 -HETATM 3567 N N4 . MES E 4 212 ? 24.414 -7.735 34.545 1.00 40.51 0 A 2 -HETATM 3568 C C5 . MES E 4 212 ? 24.120 -8.179 36.004 1.00 33.84 0 A 2 -HETATM 3569 C C6 . MES E 4 212 ? 23.423 -7.046 36.787 1.00 32.09 0 A 2 -HETATM 3570 C C7 . MES E 4 212 ? 25.704 -8.356 34.000 1.00 36.92 0 A 2 -HETATM 3571 C C8 . MES E 4 212 ? 25.832 -8.227 32.481 1.00 39.29 0 A 2 -HETATM 3572 S S . MES E 4 212 ? 27.244 -9.136 31.902 1.00 36.44 0 A 2 -HETATM 3573 C CA1 . GSH F 2 210 ? 17.016 13.766 8.687 1.00 27.78 0 B 2 -HETATM 3574 C CA2 . GSH F 2 210 ? 13.153 16.100 4.329 1.00 35.43 0 B 2 -HETATM 3575 C CA3 . GSH F 2 210 ? 11.681 15.208 0.956 1.00 37.17 0 B 2 -HETATM 3576 C CB1 . GSH F 2 210 ? 15.663 14.035 8.036 1.00 30.83 0 B 2 -HETATM 3577 C CB2 . GSH F 2 210 ? 13.210 17.638 4.378 1.00 37.50 0 B 2 -HETATM 3578 C CG1 . GSH F 2 210 ? 15.723 14.530 6.613 1.00 27.74 0 B 2 -HETATM 3579 S SG2 . GSH F 2 210 ? 13.842 18.313 5.964 1.00 50.07 0 B 2 -HETATM 3580 C CD1 . GSH F 2 210 ? 14.385 15.062 6.152 1.00 30.97 0 B 2 -HETATM 3581 O OE1 . GSH F 2 210 ? 13.383 15.046 6.890 1.00 30.76 0 B 2 -HETATM 3582 C C1 . GSH F 2 210 ? 17.702 15.074 9.065 1.00 25.57 0 B 2 -HETATM 3583 N N1 . GSH F 2 210 ? 16.817 13.058 9.981 1.00 30.95 0 B 2 -HETATM 3584 C C2 . GSH F 2 210 ? 13.078 15.643 2.872 1.00 35.80 0 B 2 -HETATM 3585 N N2 . GSH F 2 210 ? 14.363 15.547 4.921 1.00 30.15 0 B 2 -HETATM 3586 O O2 . GSH F 2 210 ? 14.104 15.356 2.242 1.00 31.37 0 B 2 -HETATM 3587 C C3 . GSH F 2 210 ? 11.415 13.728 0.825 1.00 37.28 0 B 2 -HETATM 3588 N N3 . GSH F 2 210 ? 11.866 15.612 2.332 1.00 36.05 0 B 2 -HETATM 3589 O O11 . GSH F 2 210 ? 18.355 15.695 8.199 1.00 19.48 0 B 2 -HETATM 3590 O O12 . GSH F 2 210 ? 17.604 15.432 10.262 1.00 16.84 0 B 2 -HETATM 3591 O O31 . GSH F 2 210 ? 10.728 13.339 -0.140 1.00 40.02 0 B 2 -HETATM 3592 O O32 . GSH F 2 210 ? 11.876 12.962 1.694 1.00 37.63 0 B 2 -HETATM 3593 O O . EAA G 3 211 ? 7.914 22.960 -0.411 0.58 59.62 0 B 2 -HETATM 3594 CL CL1 . EAA G 3 211 ? 10.789 21.527 1.907 0.58 35.87 0 B 2 -HETATM 3595 CL CL2 . EAA G 3 211 ? 11.762 20.809 4.764 0.58 40.28 0 B 2 -HETATM 3596 O OXT . EAA G 3 211 ? 6.445 21.677 -1.407 0.58 58.23 0 B 2 -HETATM 3597 C C1 . EAA G 3 211 ? 8.695 19.789 2.328 0.58 44.41 0 B 2 -HETATM 3598 O O1 . EAA G 3 211 ? 9.464 17.518 6.870 0.58 40.58 0 B 2 -HETATM 3599 C C2 . EAA G 3 211 ? 9.865 20.360 2.869 0.58 41.20 0 B 2 -HETATM 3600 O O2 . EAA G 3 211 ? 8.293 20.245 1.060 0.58 51.80 0 B 2 -HETATM 3601 C C3 . EAA G 3 211 ? 10.334 19.973 4.152 0.58 38.83 0 B 2 -HETATM 3602 C C4 . EAA G 3 211 ? 9.619 18.977 4.919 0.58 37.99 0 B 2 -HETATM 3603 C C5 . EAA G 3 211 ? 8.453 18.424 4.336 0.58 36.96 0 B 2 -HETATM 3604 C C6 . EAA G 3 211 ? 7.997 18.822 3.076 0.58 42.19 0 B 2 -HETATM 3605 C C7 . EAA G 3 211 ? 10.075 18.438 6.298 0.58 36.51 0 B 2 -HETATM 3606 C C8 . EAA G 3 211 ? 11.371 18.954 7.071 0.58 29.16 0 B 2 -HETATM 3607 C C9 . EAA G 3 211 ? 11.112 19.649 8.422 0.58 29.15 0 B 2 -HETATM 3608 C C10 . EAA G 3 211 ? 12.095 20.740 8.861 0.58 7.54 0 B 2 -HETATM 3609 C C11 . EAA G 3 211 ? 12.525 17.953 7.143 0.58 37.43 0 B 2 -HETATM 3610 C C12 . EAA G 3 211 ? 7.095 21.066 0.821 0.58 54.94 0 B 2 -HETATM 3611 C C13 . EAA G 3 211 ? 7.167 21.954 -0.425 0.58 58.74 0 B 2 -HETATM 3612 O O1 . MES H 4 212 ? 25.399 31.732 0.101 1.00 29.43 0 B 2 -HETATM 3613 O O1S . MES H 4 212 ? 28.350 34.180 6.757 1.00 54.74 0 B 2 -HETATM 3614 C C2 . MES H 4 212 ? 26.298 30.743 0.676 1.00 30.42 0 B 2 -HETATM 3615 O O2S . MES H 4 212 ? 27.106 36.266 5.827 1.00 52.67 0 B 2 -HETATM 3616 C C3 . MES H 4 212 ? 26.876 31.255 2.009 1.00 32.96 0 B 2 -HETATM 3617 O O3S . MES H 4 212 ? 29.301 35.349 4.647 1.00 54.91 0 B 2 -HETATM 3618 N N4 . MES H 4 212 ? 26.738 32.784 2.137 1.00 37.73 0 B 2 -HETATM 3619 C C5 . MES H 4 212 ? 26.934 33.536 0.784 1.00 41.06 0 B 2 -HETATM 3620 C C6 . MES H 4 212 ? 26.026 32.960 -0.336 1.00 32.62 0 B 2 -HETATM 3621 C C7 . MES H 4 212 ? 27.655 33.329 3.241 1.00 41.26 0 B 2 -HETATM 3622 C C8 . MES H 4 212 ? 26.877 33.880 4.434 1.00 48.43 0 B 2 -HETATM 3623 S S . MES H 4 212 ? 27.897 34.937 5.446 1.00 49.83 0 B 2 -HETATM 3624 O O . HOH I 5 213 ? 30.973 0.731 12.888 1.00 14.90 0 A 2 -HETATM 3625 O O . HOH I 5 214 ? 16.353 5.845 8.714 1.00 13.46 0 A 2 -HETATM 3626 O O . HOH I 5 215 ? 18.802 9.871 22.399 1.00 19.85 0 A 2 -HETATM 3627 O O . HOH I 5 216 ? 17.849 -5.218 27.284 1.00 6.65 0 A 2 -HETATM 3628 O O . HOH I 5 217 ? 14.913 11.735 17.839 1.00 18.37 0 A 2 -HETATM 3629 O O . HOH I 5 218 ? 12.209 -1.351 21.361 1.00 16.28 0 A 2 -HETATM 3630 O O . HOH I 5 219 ? 17.915 -0.312 22.660 1.00 10.91 0 A 2 -HETATM 3631 O O . HOH I 5 220 ? 18.848 -6.964 29.264 1.00 8.02 0 A 2 -HETATM 3632 O O . HOH I 5 221 ? 9.026 0.631 7.674 1.00 27.53 0 A 2 -HETATM 3633 O O . HOH I 5 222 ? 16.144 9.617 28.006 1.00 17.74 0 A 2 -HETATM 3634 O O . HOH I 5 223 ? 14.653 13.188 31.007 1.00 40.58 0 A 2 -HETATM 3635 O O . HOH I 5 224 ? 32.035 -8.919 15.067 1.00 22.71 0 A 2 -HETATM 3636 O O . HOH I 5 225 ? 15.346 -5.308 21.418 1.00 21.73 0 A 2 -HETATM 3637 O O . HOH I 5 226 ? 20.663 2.073 23.335 1.00 16.32 0 A 2 -HETATM 3638 O O . HOH I 5 227 ? 15.679 12.253 27.840 1.00 15.79 0 A 2 -HETATM 3639 O O . HOH I 5 228 ? 20.342 -5.842 31.041 1.00 9.59 0 A 2 -HETATM 3640 O O . HOH I 5 229 ? 27.712 -9.205 6.008 1.00 27.35 0 A 2 -HETATM 3641 O O . HOH I 5 230 ? 32.629 -7.932 12.186 1.00 25.56 0 A 2 -HETATM 3642 O O . HOH I 5 231 ? 31.477 11.482 26.421 1.00 12.72 0 A 2 -HETATM 3643 O O . HOH I 5 232 ? 14.894 -2.666 21.634 1.00 27.21 0 A 2 -HETATM 3644 O O . HOH I 5 233 ? 15.414 -2.368 32.929 1.00 13.49 0 A 2 -HETATM 3645 O O . HOH I 5 234 ? 16.927 -1.121 34.741 1.00 14.02 0 A 2 -HETATM 3646 O O . HOH I 5 235 ? 13.388 12.376 25.958 1.00 21.71 0 A 2 -HETATM 3647 O O . HOH I 5 236 ? 9.944 0.052 23.599 1.00 24.83 0 A 2 -HETATM 3648 O O . HOH I 5 237 ? 18.699 2.270 21.411 1.00 23.12 0 A 2 -HETATM 3649 O O . HOH I 5 238 ? 10.016 -8.725 32.364 1.00 32.09 0 A 2 -HETATM 3650 O O . HOH I 5 239 ? 34.786 2.316 15.527 1.00 15.46 0 A 2 -HETATM 3651 O O . HOH I 5 240 ? 18.238 4.711 18.371 1.00 10.49 0 A 2 -HETATM 3652 O O . HOH I 5 241 ? 19.166 5.121 21.117 1.00 20.37 0 A 2 -HETATM 3653 O O . HOH I 5 242 ? 9.724 -6.136 17.351 1.00 19.18 0 A 2 -HETATM 3654 O O . HOH I 5 243 ? 27.394 11.512 24.655 1.00 10.41 0 A 2 -HETATM 3655 O O . HOH I 5 244 ? 7.984 3.283 7.682 1.00 26.45 0 A 2 -HETATM 3656 O O . HOH I 5 245 ? 7.094 -6.315 23.482 1.00 19.85 0 A 2 -HETATM 3657 O O . HOH I 5 246 ? 31.319 -4.234 6.618 1.00 12.52 0 A 2 -HETATM 3658 O O . HOH I 5 247 ? 36.545 5.527 18.522 1.00 26.96 0 A 2 -HETATM 3659 O O . HOH I 5 248 ? 38.331 0.085 25.566 1.00 35.14 0 A 2 -HETATM 3660 O O . HOH I 5 249 ? 11.640 9.003 12.086 1.00 20.90 0 A 2 -HETATM 3661 O O . HOH I 5 250 ? 2.606 2.361 8.945 1.00 34.28 0 A 2 -HETATM 3662 O O . HOH I 5 251 ? 25.497 10.096 38.279 1.00 20.21 0 A 2 -HETATM 3663 O O . HOH I 5 252 ? 22.190 -15.645 21.729 1.00 30.30 0 A 2 -HETATM 3664 O O . HOH I 5 253 ? 23.301 -15.020 19.431 1.00 22.63 0 A 2 -HETATM 3665 O O . HOH I 5 254 ? 16.088 4.212 6.641 1.00 15.98 0 A 2 -HETATM 3666 O O . HOH I 5 255 ? 6.066 4.557 8.838 1.00 31.49 0 A 2 -HETATM 3667 O O . HOH I 5 256 ? 16.755 11.772 38.461 1.00 28.77 0 A 2 -HETATM 3668 O O . HOH I 5 257 ? 19.230 -5.877 21.427 1.00 19.92 0 A 2 -HETATM 3669 O O . HOH I 5 258 ? 13.012 11.174 13.821 1.00 27.85 0 A 2 -HETATM 3670 O O . HOH I 5 259 ? 17.715 11.430 14.142 1.00 23.50 0 A 2 -HETATM 3671 O O . HOH I 5 260 ? 15.979 -2.128 40.948 1.00 32.75 0 A 2 -HETATM 3672 O O . HOH I 5 261 ? 10.032 2.839 2.026 1.00 18.16 0 A 2 -HETATM 3673 O O . HOH I 5 262 ? 15.260 5.736 4.655 1.00 17.32 0 A 2 -HETATM 3674 O O . HOH I 5 263 ? 25.670 15.220 35.524 1.00 22.99 0 A 2 -HETATM 3675 O O . HOH I 5 264 ? 29.041 -10.976 28.411 1.00 25.43 0 A 2 -HETATM 3676 O O . HOH I 5 265 ? 15.906 10.265 21.021 1.00 24.64 0 A 2 -HETATM 3677 O O . HOH I 5 266 ? 15.744 -5.262 33.802 1.00 17.75 0 A 2 -HETATM 3678 O O . HOH I 5 267 ? 33.042 14.620 37.547 1.00 28.52 0 A 2 -HETATM 3679 O O . HOH I 5 268 ? 17.795 7.090 39.811 1.00 29.62 0 A 2 -HETATM 3680 O O . HOH I 5 269 ? 6.097 14.044 37.427 1.00 26.13 0 A 2 -HETATM 3681 O O . HOH I 5 270 ? 24.394 -16.062 14.910 1.00 30.15 0 A 2 -HETATM 3682 O O . HOH I 5 271 ? 17.808 -6.896 33.259 1.00 26.03 0 A 2 -HETATM 3683 O O . HOH I 5 272 ? 6.283 15.661 35.280 1.00 14.40 0 A 2 -HETATM 3684 O O . HOH I 5 273 ? 15.452 -11.366 15.744 1.00 22.80 0 A 2 -HETATM 3685 O O . HOH I 5 274 ? 33.336 2.799 6.124 1.00 34.59 0 A 2 -HETATM 3686 O O . HOH I 5 275 ? 42.961 5.923 15.611 1.00 44.25 0 A 2 -HETATM 3687 O O . HOH I 5 276 ? 38.669 7.631 7.160 1.00 43.64 0 A 2 -HETATM 3688 O O . HOH I 5 277 ? 26.430 -14.952 9.896 1.00 42.37 0 A 2 -HETATM 3689 O O . HOH I 5 278 ? 36.364 -0.156 18.038 1.00 21.48 0 A 2 -HETATM 3690 O O . HOH I 5 279 ? 32.869 -1.853 34.306 1.00 56.13 0 A 2 -HETATM 3691 O O . HOH I 5 280 ? 7.469 8.583 13.671 1.00 19.57 0 A 2 -HETATM 3692 O O . HOH I 5 281 ? 10.478 14.898 26.755 1.00 32.67 0 A 2 -HETATM 3693 O O . HOH I 5 282 ? 16.766 -6.473 35.980 1.00 30.91 0 A 2 -HETATM 3694 O O . HOH I 5 283 ? 35.039 -8.550 11.886 1.00 29.28 0 A 2 -HETATM 3695 O O . HOH I 5 284 ? 13.238 10.194 21.369 1.00 28.47 0 A 2 -HETATM 3696 O O . HOH I 5 285 ? 39.782 19.112 12.379 1.00 46.09 0 A 2 -HETATM 3697 O O . HOH I 5 286 ? 26.741 6.670 40.059 1.00 41.70 0 A 2 -HETATM 3698 O O . HOH I 5 287 ? 26.978 4.284 38.822 1.00 16.71 0 A 2 -HETATM 3699 O O . HOH I 5 288 ? 21.338 9.590 16.313 1.00 8.45 0 A 2 -HETATM 3700 O O . HOH I 5 289 ? 30.432 14.771 42.609 1.00 24.82 0 A 2 -HETATM 3701 O O . HOH I 5 290 ? 13.603 6.127 8.603 1.00 17.52 0 A 2 -HETATM 3702 O O . HOH I 5 291 ? 10.628 6.786 22.377 1.00 23.71 0 A 2 -HETATM 3703 O O . HOH I 5 292 ? 8.172 9.434 38.760 1.00 28.33 0 A 2 -HETATM 3704 O O . HOH I 5 293 ? 2.474 5.522 13.213 1.00 28.64 0 A 2 -HETATM 3705 O O . HOH J 5 213 ? 20.610 14.491 18.120 1.00 16.91 0 B 2 -HETATM 3706 O O . HOH J 5 214 ? 13.405 17.495 24.470 1.00 12.24 0 B 2 -HETATM 3707 O O . HOH J 5 215 ? 17.735 19.343 15.433 1.00 11.97 0 B 2 -HETATM 3708 O O . HOH J 5 216 ? 24.401 13.154 14.703 1.00 13.92 0 B 2 -HETATM 3709 O O . HOH J 5 217 ? 27.160 24.909 25.000 1.00 14.34 0 B 2 -HETATM 3710 O O . HOH J 5 218 ? 7.733 28.948 13.267 1.00 11.17 0 B 2 -HETATM 3711 O O . HOH J 5 219 ? 20.928 22.965 11.275 1.00 21.31 0 B 2 -HETATM 3712 O O . HOH J 5 220 ? 12.159 19.143 26.256 1.00 23.66 0 B 2 -HETATM 3713 O O . HOH J 5 221 ? 23.409 11.790 21.301 1.00 6.66 0 B 2 -HETATM 3714 O O . HOH J 5 222 ? 27.956 22.772 31.541 1.00 22.63 0 B 2 -HETATM 3715 O O . HOH J 5 223 ? 12.778 15.022 25.106 1.00 13.75 0 B 2 -HETATM 3716 O O . HOH J 5 224 ? 20.310 14.311 11.732 1.00 26.62 0 B 2 -HETATM 3717 O O . HOH J 5 225 ? 31.983 23.936 23.016 1.00 17.33 0 B 2 -HETATM 3718 O O . HOH J 5 226 ? 18.585 29.178 6.804 1.00 20.81 0 B 2 -HETATM 3719 O O . HOH J 5 227 ? 20.510 25.183 -0.352 1.00 22.14 0 B 2 -HETATM 3720 O O . HOH J 5 228 ? 19.919 14.298 5.332 1.00 18.85 0 B 2 -HETATM 3721 O O . HOH J 5 229 ? 19.238 11.017 2.613 1.00 17.63 0 B 2 -HETATM 3722 O O . HOH J 5 230 ? 11.849 24.553 10.715 1.00 9.09 0 B 2 -HETATM 3723 O O . HOH J 5 231 ? 6.196 32.655 28.497 1.00 15.83 0 B 2 -HETATM 3724 O O . HOH J 5 232 ? 18.828 19.268 12.999 1.00 11.91 0 B 2 -HETATM 3725 O O . HOH J 5 233 ? 33.491 14.604 12.388 1.00 10.55 0 B 2 -HETATM 3726 O O . HOH J 5 234 ? 10.159 13.742 19.694 1.00 23.27 0 B 2 -HETATM 3727 O O . HOH J 5 235 ? 18.934 21.956 13.233 1.00 19.25 0 B 2 -HETATM 3728 O O . HOH J 5 236 ? 16.860 11.273 6.856 1.00 18.76 0 B 2 -HETATM 3729 O O . HOH J 5 237 ? 14.261 25.859 11.523 1.00 25.90 0 B 2 -HETATM 3730 O O . HOH J 5 238 ? 10.357 17.701 27.463 1.00 18.00 0 B 2 -HETATM 3731 O O . HOH J 5 239 ? 19.858 31.009 5.150 1.00 17.82 0 B 2 -HETATM 3732 O O . HOH J 5 240 ? 5.075 21.528 22.674 1.00 29.74 0 B 2 -HETATM 3733 O O . HOH J 5 241 ? 22.950 38.565 28.624 1.00 17.13 0 B 2 -HETATM 3734 O O . HOH J 5 242 ? 20.810 33.822 29.923 1.00 9.16 0 B 2 -HETATM 3735 O O . HOH J 5 243 ? 17.969 24.066 11.709 1.00 19.97 0 B 2 -HETATM 3736 O O . HOH J 5 244 ? 14.820 28.770 10.955 1.00 24.90 0 B 2 -HETATM 3737 O O . HOH J 5 245 ? 3.285 23.007 29.827 1.00 31.98 0 B 2 -HETATM 3738 O O . HOH J 5 246 ? 15.376 12.165 15.312 1.00 16.74 0 B 2 -HETATM 3739 O O . HOH J 5 247 ? 0.953 29.059 9.892 1.00 30.94 0 B 2 -HETATM 3740 O O . HOH J 5 248 ? 34.959 20.979 21.513 1.00 16.43 0 B 2 -HETATM 3741 O O . HOH J 5 249 ? 12.907 22.329 11.628 1.00 20.41 0 B 2 -HETATM 3742 O O . HOH J 5 250 ? 15.392 38.207 30.907 1.00 22.45 0 B 2 -HETATM 3743 O O . HOH J 5 251 ? 35.144 20.807 9.026 1.00 36.72 0 B 2 -HETATM 3744 O O . HOH J 5 252 ? 20.580 40.689 19.589 1.00 36.41 0 B 2 -HETATM 3745 O O . HOH J 5 253 ? 4.633 19.892 28.305 1.00 34.01 0 B 2 -HETATM 3746 O O . HOH J 5 254 ? 19.727 11.684 5.447 1.00 41.07 0 B 2 -HETATM 3747 O O . HOH J 5 255 ? 32.730 33.125 22.151 1.00 23.93 0 B 2 -HETATM 3748 O O . HOH J 5 256 ? 19.917 40.348 12.881 1.00 15.04 0 B 2 -HETATM 3749 O O . HOH J 5 257 ? 14.788 26.928 36.000 1.00 16.48 0 B 2 -HETATM 3750 O O . HOH J 5 258 ? 7.090 28.580 6.227 1.00 23.29 0 B 2 -HETATM 3751 O O . HOH J 5 259 ? 26.585 42.511 12.651 1.00 17.90 0 B 2 -HETATM 3752 O O . HOH J 5 260 ? 22.628 37.551 2.180 1.00 31.26 0 B 2 -HETATM 3753 O O . HOH J 5 261 ? 27.819 37.172 8.975 1.00 18.95 0 B 2 -HETATM 3754 O O . HOH J 5 262 ? 3.745 17.109 20.542 1.00 22.72 0 B 2 -HETATM 3755 O O . HOH J 5 263 ? 27.453 33.597 25.743 1.00 19.05 0 B 2 -HETATM 3756 O O . HOH J 5 264 ? 28.971 14.013 12.696 1.00 13.83 0 B 2 -HETATM 3757 O O . HOH J 5 265 ? 33.702 19.037 32.712 1.00 29.25 0 B 2 -HETATM 3758 O O . HOH J 5 266 ? 5.391 30.384 29.638 1.00 26.15 0 B 2 -HETATM 3759 O O . HOH J 5 267 ? 10.198 17.052 23.284 1.00 22.80 0 B 2 -HETATM 3760 O O . HOH J 5 268 ? 5.842 14.656 11.054 1.00 35.85 0 B 2 -HETATM 3761 O O . HOH J 5 269 ? 23.427 12.766 -3.703 1.00 38.81 0 B 2 -HETATM 3762 O O . HOH J 5 270 ? 31.404 15.424 -1.198 1.00 30.47 0 B 2 -HETATM 3763 O O . HOH J 5 271 ? 1.006 18.955 21.352 1.00 24.31 0 B 2 -HETATM 3764 O O . HOH J 5 272 ? 24.676 13.199 -6.931 1.00 33.97 0 B 2 -HETATM 3765 O O . HOH J 5 273 ? 24.868 28.429 37.570 1.00 20.58 0 B 2 -HETATM 3766 O O . HOH J 5 274 ? 12.349 32.517 -0.549 1.00 21.23 0 B 2 -HETATM 3767 O O . HOH J 5 275 ? 13.919 31.165 11.852 1.00 35.39 0 B 2 -HETATM 3768 O O . HOH J 5 276 ? 12.718 21.208 33.738 1.00 30.90 0 B 2 -HETATM 3769 O O . HOH J 5 277 ? 18.528 29.262 -0.271 1.00 46.93 0 B 2 -HETATM 3770 O O . HOH J 5 278 ? 18.946 40.499 27.880 1.00 18.68 0 B 2 -HETATM 3771 O O . HOH J 5 279 ? 31.623 24.227 26.175 1.00 18.09 0 B 2 -HETATM 3772 O O . HOH J 5 280 ? 19.561 12.130 16.965 1.00 26.13 0 B 2 -HETATM 3773 O O . HOH J 5 281 ? 16.115 39.379 27.433 1.00 46.44 0 B 2 -HETATM 3774 O O . HOH J 5 282 ? 11.689 38.633 29.469 1.00 34.75 0 B 2 -HETATM 3775 O O . HOH J 5 283 ? 8.579 31.941 35.113 1.00 35.47 0 B 2 -HETATM 3776 O O . HOH J 5 284 ? 21.974 30.378 3.290 1.00 27.23 0 B 2 -HETATM 3777 O O . HOH J 5 285 ? 10.852 34.717 10.974 1.00 33.68 0 B 2 -HETATM 3778 O O . HOH J 5 286 ? 3.062 17.347 17.479 1.00 23.50 0 B 2 -HETATM 3779 O O . HOH J 5 287 ? 9.585 17.566 30.413 1.00 35.72 0 B 2 -HETATM 3780 O O . HOH J 5 288 ? 25.754 37.737 30.301 1.00 35.68 0 B 2 -HETATM 3781 O O . HOH J 5 289 ? -5.496 27.631 15.894 1.00 36.11 0 B 2 -HETATM 3782 O O . HOH J 5 290 ? 0.572 34.340 16.654 1.00 44.80 0 B 2 -HETATM 3783 O O . HOH J 5 291 ? -1.204 18.747 18.868 1.00 57.65 0 B 2 -HETATM 3784 O O . HOH J 5 292 ? 34.605 16.473 22.169 1.00 30.94 0 B 2 -HETATM 3785 O O . HOH J 5 293 ? 10.847 23.216 7.230 1.00 37.65 0 B 2 -HETATM 3786 O O . HOH J 5 294 ? 33.410 30.934 18.666 1.00 30.96 0 B 2 -HETATM 3787 O O . HOH J 5 295 ? 36.686 11.713 23.216 1.00 32.48 0 B 2 -HETATM 3788 O O . HOH J 5 296 ? 5.961 28.613 32.151 1.00 38.09 0 B 2 -HETATM 3789 O O . HOH J 5 297 ? 10.294 24.351 -0.916 1.00 24.36 0 B 2 -HETATM 3790 O O . HOH J 5 298 ? 21.334 35.981 31.628 1.00 24.60 0 B 2 -HETATM 3791 O O . HOH J 5 299 ? 16.272 37.598 11.369 1.00 27.17 0 B 2 -HETATM 3792 O O . HOH J 5 300 ? 12.132 15.899 9.468 1.00 32.42 0 B 2 -HETATM 3793 O O . HOH J 5 301 ? 24.277 23.261 33.088 1.00 33.10 0 B 2 -HETATM 3794 O O . HOH J 5 302 ? 16.896 36.804 17.617 1.00 50.82 0 B 2 -HETATM 3795 O O . HOH J 5 303 ? 30.461 37.089 15.543 1.00 38.02 0 B 2 -HETATM 3796 O O . HOH J 5 304 ? 29.873 15.258 36.436 1.00 25.98 0 B 2 -HETATM 3797 O O . HOH J 5 305 ? 15.831 35.923 13.889 1.00 36.69 0 B 2 diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 45217a41cef..9cb514215da 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -39,8 +39,7 @@ def test_chains(mmcif_filename, n_chains): def test_sequence(mmcif_filename, sequence): u = mda.Universe(mmcif_filename) in_structure = [ - str(res.resname) - for res in u.select_atoms("protein and chainid A").residues + str(res.resname) for res in u.select_atoms("protein and chainid A").residues ] assert in_structure == sequence, ":".join(in_structure) @@ -49,3 +48,12 @@ def test_sequence(mmcif_filename, sequence): def test_wrong_format(): with pytest.raises(ValueError): mda.Universe(f"{MMCIF_FOLDER}/1YJP_invalid.cif") + + +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") +def test_multimodel_warning_msg(): + with pytest.warns( + UserWarning, + match=r"MMCIF model .+ contains .+ different models, but only the first one will be used to assign the topology", + ): + mda.topology.MMCIFParser.MMCIFParser(f"{MMCIF_FOLDER}/multimodel_warning.cif").parse() From bd4c255b9686fb9df7798d110e4b3568d6d8c029 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Sun, 23 Feb 2025 13:57:54 +0100 Subject: [PATCH 091/133] add tests for cryst1 warnings --- package/MDAnalysis/coordinates/MMCIF.py | 4 ++-- package/MDAnalysis/topology/MMCIFParser.py | 2 +- .../MDAnalysisTests/coordinates/test_mmcif.py | 16 ++++++++++++++++ testsuite/MDAnalysisTests/topology/test_mmcif.py | 4 +++- 4 files changed, 22 insertions(+), 4 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index b0a1560c3ef..24804ca0106 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -136,12 +136,12 @@ def _read_first_frame(self): self.n_atoms = len(coords) self.ts = self._Timestep.from_coordinates(coords, **self._ts_kwargs) if np.allclose(cell_dims, np.array([1.0, 1.0, 1.0, 90.0, 90.0, 90.0])): - warnings.warn( # FIXME: add tests for this + warnings.warn( "1 A^3 CRYST1 record," " this is usually a placeholder." " Unit cell dimensions will be set to None." ) - self.ts.dimensions = None # FIXME: add tests for this + self.ts.dimensions = None else: self.ts.dimensions = cell_dims self.ts.frame = 0 diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index a52b1e8deac..9b7cbc4a58e 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -309,7 +309,7 @@ def parse(self, **kwargs) -> Topology: structure = gemmi.read_structure(self.filename) if len(structure) > 1: - warnings.warn( # FIXME: add tests for this + warnings.warn( f"MMCIF model {self.filename} contains {len(structure)=} different models, " "but only the first one will be used to assign the topology" ) diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py index cbb2e2b6d8e..7efad6cdc5f 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -17,6 +17,7 @@ if "invalid" not in f and "warning" not in f ], ) +@pytest.mark.filterwarnings("ignore::UserWarning") def test_works_with_explicit_format(mmcif_filename): u = mda.Universe(mmcif_filename, format="MMCIF") assert u.trajectory.n_atoms > 0 @@ -31,6 +32,7 @@ def test_works_with_explicit_format(mmcif_filename): if "invalid" not in f and "warning" not in f ], ) +@pytest.mark.filterwarnings("ignore::UserWarning") def test_works_without_explicit_format(mmcif_filename): u = mda.Universe(mmcif_filename) assert u.trajectory.n_atoms > 0 @@ -76,3 +78,17 @@ def test_multimodel_warning_msg(): UserWarning, match=r"File .+ has .+ models, but only the first one will be read" ): mda.coordinates.MMCIF.MMCIFReader(f"{MMCIF_FOLDER}/multimodel_warning.cif") + + +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") +def test_cryst1_record_placeholder(): + with pytest.warns( + UserWarning, + match=r"CRYST1 record, this is usually a placeholder. Unit cell dimensions will be set to", + ): + assert ( + mda.coordinates.MMCIF.MMCIFReader( + f"{MMCIF_FOLDER}/custom.cif.gz" + ).ts.dimensions + is None + ) diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 9cb514215da..46b32d2597a 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -56,4 +56,6 @@ def test_multimodel_warning_msg(): UserWarning, match=r"MMCIF model .+ contains .+ different models, but only the first one will be used to assign the topology", ): - mda.topology.MMCIFParser.MMCIFParser(f"{MMCIF_FOLDER}/multimodel_warning.cif").parse() + mda.topology.MMCIFParser.MMCIFParser( + f"{MMCIF_FOLDER}/multimodel_warning.cif" + ).parse() From 3d61dc513ecb7485f9eb59b12d5e7e18f2701319 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Sun, 23 Feb 2025 14:06:36 +0100 Subject: [PATCH 092/133] black --- package/MDAnalysis/topology/MMCIFParser.py | 6 +++++- testsuite/MDAnalysisTests/coordinates/test_mmcif.py | 7 +++++-- testsuite/MDAnalysisTests/topology/test_mmcif.py | 3 ++- 3 files changed, 12 insertions(+), 4 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 9b7cbc4a58e..e3de199c95f 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -97,7 +97,11 @@ def _into_idx(arr: list) -> list[int]: .. versionadded:: 2.9.0 """ - return [idx for idx, (_, group) in enumerate(itertools.groupby(arr)) for _ in group] + return [ + idx + for idx, (_, group) in enumerate(itertools.groupby(arr)) + for _ in group + ] def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py index 7efad6cdc5f..68e5ca9725a 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -75,9 +75,12 @@ def test_cell(mmcif_filename, cell): @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") def test_multimodel_warning_msg(): with pytest.warns( - UserWarning, match=r"File .+ has .+ models, but only the first one will be read" + UserWarning, + match=r"File .+ has .+ models, but only the first one will be read", ): - mda.coordinates.MMCIF.MMCIFReader(f"{MMCIF_FOLDER}/multimodel_warning.cif") + mda.coordinates.MMCIF.MMCIFReader( + f"{MMCIF_FOLDER}/multimodel_warning.cif" + ) @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 46b32d2597a..3fa522eee3a 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -39,7 +39,8 @@ def test_chains(mmcif_filename, n_chains): def test_sequence(mmcif_filename, sequence): u = mda.Universe(mmcif_filename) in_structure = [ - str(res.resname) for res in u.select_atoms("protein and chainid A").residues + str(res.resname) + for res in u.select_atoms("protein and chainid A").residues ] assert in_structure == sequence, ":".join(in_structure) From aed9b549f101eadab09cb5d74da2147c55fb5845 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Sun, 23 Feb 2025 14:34:32 +0100 Subject: [PATCH 093/133] add invalid cif file itself --- .../data/mmcif/multimodel_warning.cif | 7093 +++++++++++++++++ 1 file changed, 7093 insertions(+) create mode 100644 testsuite/MDAnalysisTests/data/mmcif/multimodel_warning.cif diff --git a/testsuite/MDAnalysisTests/data/mmcif/multimodel_warning.cif b/testsuite/MDAnalysisTests/data/mmcif/multimodel_warning.cif new file mode 100644 index 00000000000..dfa482ea1a7 --- /dev/null +++ b/testsuite/MDAnalysisTests/data/mmcif/multimodel_warning.cif @@ -0,0 +1,7093 @@ +# generated by PyMOL 3.0.3 +# +data_mmodel +_entry.id mmodel +# +_cell.entry_id mmodel +_cell.length_a 79.723 +_cell.length_b 90.460 +_cell.length_c 69.404 +_cell.angle_alpha 90.00 +_cell.angle_beta 98.19 +_cell.angle_gamma 90.00 +_symmetry.entry_id mmodel +_symmetry.space_group_name_H-M 'C 1 2 1' +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_asym_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . PRO A 1 2 ? 31.242 3.064 39.284 1.00 40.30 0 A 1 +ATOM 2 C CA . PRO A 1 2 ? 31.195 2.392 37.963 1.00 33.93 0 A 1 +ATOM 3 C C . PRO A 1 2 ? 29.975 2.923 37.197 1.00 24.70 0 A 1 +ATOM 4 O O . PRO A 1 2 ? 29.727 4.132 37.181 1.00 17.72 0 A 1 +ATOM 5 C CB . PRO A 1 2 ? 31.063 0.905 38.251 1.00 42.93 0 A 1 +ATOM 6 C CG . PRO A 1 2 ? 30.276 0.947 39.549 1.00 45.34 0 A 1 +ATOM 7 C CD . PRO A 1 2 ? 30.829 2.121 40.343 1.00 46.68 0 A 1 +ATOM 8 N N . TYR A 1 3 ? 29.189 2.020 36.613 1.00 20.79 0 A 1 +ATOM 9 C CA . TYR A 1 3 ? 28.011 2.405 35.850 1.00 17.22 0 A 1 +ATOM 10 C C . TYR A 1 3 ? 26.711 1.995 36.517 1.00 14.75 0 A 1 +ATOM 11 O O . TYR A 1 3 ? 26.629 0.949 37.161 1.00 21.91 0 A 1 +ATOM 12 C CB . TYR A 1 3 ? 28.055 1.772 34.459 1.00 15.81 0 A 1 +ATOM 13 C CG . TYR A 1 3 ? 29.318 2.059 33.684 1.00 11.31 0 A 1 +ATOM 14 C CD1 . TYR A 1 3 ? 29.678 3.366 33.355 1.00 9.55 0 A 1 +ATOM 15 C CD2 . TYR A 1 3 ? 30.149 1.023 33.267 1.00 10.62 0 A 1 +ATOM 16 C CE1 . TYR A 1 3 ? 30.835 3.633 32.629 1.00 10.73 0 A 1 +ATOM 17 C CE2 . TYR A 1 3 ? 31.308 1.279 32.539 1.00 15.60 0 A 1 +ATOM 18 C CZ . TYR A 1 3 ? 31.645 2.584 32.226 1.00 18.08 0 A 1 +ATOM 19 O OH . TYR A 1 3 ? 32.803 2.828 31.528 1.00 26.51 0 A 1 +ATOM 20 N N . THR A 1 4 ? 25.683 2.804 36.297 1.00 11.26 0 A 1 +ATOM 21 C CA . THR A 1 4 ? 24.361 2.547 36.835 1.00 16.83 0 A 1 +ATOM 22 C C . THR A 1 4 ? 23.337 2.985 35.797 1.00 18.11 0 A 1 +ATOM 23 O O . THR A 1 4 ? 23.374 4.124 35.335 1.00 13.77 0 A 1 +ATOM 24 C CB . THR A 1 4 ? 24.097 3.357 38.132 1.00 19.14 0 A 1 +ATOM 25 C CG2 . THR A 1 4 ? 22.713 3.031 38.699 1.00 13.24 0 A 1 +ATOM 26 O OG1 . THR A 1 4 ? 25.094 3.042 39.110 1.00 23.80 0 A 1 +ATOM 27 N N . VAL A 1 5 ? 22.463 2.071 35.385 1.00 17.20 0 A 1 +ATOM 28 C CA . VAL A 1 5 ? 21.420 2.437 34.438 1.00 19.45 0 A 1 +ATOM 29 C C . VAL A 1 5 ? 20.078 2.369 35.160 1.00 18.28 0 A 1 +ATOM 30 O O . VAL A 1 5 ? 19.743 1.367 35.790 1.00 18.41 0 A 1 +ATOM 31 C CB . VAL A 1 5 ? 21.436 1.582 33.113 1.00 16.72 0 A 1 +ATOM 32 C CG1 . VAL A 1 5 ? 22.717 0.779 32.989 1.00 7.74 0 A 1 +ATOM 33 C CG2 . VAL A 1 5 ? 20.204 0.704 32.988 1.00 7.61 0 A 1 +ATOM 34 N N . VAL A 1 6 ? 19.366 3.488 35.149 1.00 16.51 0 A 1 +ATOM 35 C CA . VAL A 1 6 ? 18.059 3.585 35.781 1.00 13.04 0 A 1 +ATOM 36 C C . VAL A 1 6 ? 17.049 3.522 34.638 1.00 12.99 0 A 1 +ATOM 37 O O . VAL A 1 6 ? 17.045 4.385 33.752 1.00 12.15 0 A 1 +ATOM 38 C CB . VAL A 1 6 ? 17.906 4.919 36.550 1.00 11.40 0 A 1 +ATOM 39 C CG1 . VAL A 1 6 ? 16.592 4.937 37.304 1.00 5.99 0 A 1 +ATOM 40 C CG2 . VAL A 1 6 ? 19.084 5.122 37.497 1.00 5.71 0 A 1 +ATOM 41 N N . TYR A 1 7 ? 16.196 2.504 34.657 1.00 15.71 0 A 1 +ATOM 42 C CA . TYR A 1 7 ? 15.226 2.331 33.585 1.00 16.80 0 A 1 +ATOM 43 C C . TYR A 1 7 ? 14.067 1.427 33.993 1.00 16.48 0 A 1 +ATOM 44 O O . TYR A 1 7 ? 14.097 0.789 35.042 1.00 16.21 0 A 1 +ATOM 45 C CB . TYR A 1 7 ? 15.954 1.735 32.372 1.00 9.91 0 A 1 +ATOM 46 C CG . TYR A 1 7 ? 15.202 1.810 31.064 1.00 15.33 0 A 1 +ATOM 47 C CD1 . TYR A 1 7 ? 14.713 3.025 30.580 1.00 15.73 0 A 1 +ATOM 48 C CD2 . TYR A 1 7 ? 14.995 0.665 30.297 1.00 11.86 0 A 1 +ATOM 49 C CE1 . TYR A 1 7 ? 14.036 3.095 29.363 1.00 15.11 0 A 1 +ATOM 50 C CE2 . TYR A 1 7 ? 14.323 0.723 29.083 1.00 14.63 0 A 1 +ATOM 51 C CZ . TYR A 1 7 ? 13.846 1.938 28.621 1.00 17.31 0 A 1 +ATOM 52 O OH . TYR A 1 7 ? 13.180 1.997 27.419 1.00 11.41 0 A 1 +ATOM 53 N N . PHE A 1 8 ? 13.041 1.388 33.152 1.00 17.60 0 A 1 +ATOM 54 C CA . PHE A 1 8 ? 11.870 0.551 33.384 1.00 22.06 0 A 1 +ATOM 55 C C . PHE A 1 8 ? 12.265 -0.902 33.111 1.00 17.73 0 A 1 +ATOM 56 O O . PHE A 1 8 ? 13.297 -1.157 32.496 1.00 22.80 0 A 1 +ATOM 57 C CB . PHE A 1 8 ? 10.742 0.990 32.454 1.00 22.75 0 A 1 +ATOM 58 C CG . PHE A 1 8 ? 10.344 2.426 32.635 1.00 23.49 0 A 1 +ATOM 59 C CD1 . PHE A 1 8 ? 9.655 2.833 33.777 1.00 23.87 0 A 1 +ATOM 60 C CD2 . PHE A 1 8 ? 10.680 3.380 31.679 1.00 20.62 0 A 1 +ATOM 61 C CE1 . PHE A 1 8 ? 9.306 4.171 33.966 1.00 29.01 0 A 1 +ATOM 62 C CE2 . PHE A 1 8 ? 10.337 4.724 31.856 1.00 26.13 0 A 1 +ATOM 63 C CZ . PHE A 1 8 ? 9.649 5.120 33.002 1.00 29.47 0 A 1 +ATOM 64 N N . PRO A 1 9 ? 11.475 -1.874 33.599 1.00 19.54 0 A 1 +ATOM 65 C CA . PRO A 1 9 ? 11.810 -3.285 33.365 1.00 19.74 0 A 1 +ATOM 66 C C . PRO A 1 9 ? 11.527 -3.784 31.939 1.00 19.18 0 A 1 +ATOM 67 O O . PRO A 1 9 ? 10.777 -4.740 31.743 1.00 18.62 0 A 1 +ATOM 68 C CB . PRO A 1 9 ? 10.955 -4.005 34.409 1.00 20.12 0 A 1 +ATOM 69 C CG . PRO A 1 9 ? 9.724 -3.141 34.473 1.00 21.71 0 A 1 +ATOM 70 C CD . PRO A 1 9 ? 10.312 -1.748 34.496 1.00 25.50 0 A 1 +ATOM 71 N N . VAL A 1 10 ? 12.125 -3.123 30.949 1.00 19.05 0 A 1 +ATOM 72 C CA . VAL A 1 10 ? 11.969 -3.489 29.541 1.00 16.29 0 A 1 +ATOM 73 C C . VAL A 1 10 ? 13.312 -3.289 28.850 1.00 20.35 0 A 1 +ATOM 74 O O . VAL A 1 10 ? 14.214 -2.661 29.407 1.00 21.82 0 A 1 +ATOM 75 C CB . VAL A 1 10 ? 10.906 -2.613 28.810 1.00 16.76 0 A 1 +ATOM 76 C CG1 . VAL A 1 10 ? 9.550 -2.724 29.493 1.00 18.08 0 A 1 +ATOM 77 C CG2 . VAL A 1 10 ? 11.359 -1.160 28.743 1.00 19.81 0 A 1 +ATOM 78 N N . ARG A 1 11 ? 13.460 -3.848 27.653 1.00 14.81 0 A 1 +ATOM 79 C CA . ARG A 1 11 ? 14.701 -3.694 26.898 1.00 12.30 0 A 1 +ATOM 80 C C . ARG A 1 11 ? 14.738 -2.278 26.338 1.00 14.57 0 A 1 +ATOM 81 O O . ARG A 1 11 ? 15.679 -1.529 26.597 1.00 13.86 0 A 1 +ATOM 82 C CB . ARG A 1 11 ? 14.773 -4.713 25.762 1.00 7.23 0 A 1 +ATOM 83 C CG . ARG A 1 11 ? 14.797 -6.150 26.244 1.00 11.02 0 A 1 +ATOM 84 C CD . ARG A 1 11 ? 14.943 -7.120 25.092 1.00 11.90 0 A 1 +ATOM 85 N NE . ARG A 1 11 ? 14.609 -8.476 25.509 1.00 13.33 0 A 1 +ATOM 86 C CZ . ARG A 1 11 ? 14.246 -9.448 24.679 1.00 18.91 0 A 1 +ATOM 87 N NH1 . ARG A 1 11 ? 14.176 -9.219 23.375 1.00 15.76 0 A 1 +ATOM 88 N NH2 . ARG A 1 11 ? 13.917 -10.638 25.163 1.00 20.85 0 A 1 +ATOM 89 N N . GLY A 1 12 ? 13.692 -1.933 25.585 1.00 15.01 0 A 1 +ATOM 90 C CA . GLY A 1 12 ? 13.546 -0.612 24.995 1.00 11.84 0 A 1 +ATOM 91 C C . GLY A 1 12 ? 14.805 0.095 24.539 1.00 10.99 0 A 1 +ATOM 92 O O . GLY A 1 12 ? 15.615 -0.464 23.794 1.00 5.92 0 A 1 +ATOM 93 N N . ARG A 1 13 ? 14.993 1.315 25.032 1.00 14.50 0 A 1 +ATOM 94 C CA . ARG A 1 13 ? 16.152 2.121 24.667 1.00 14.34 0 A 1 +ATOM 95 C C . ARG A 1 13 ? 17.452 1.819 25.406 1.00 14.90 0 A 1 +ATOM 96 O O . ARG A 1 13 ? 18.432 2.551 25.256 1.00 13.09 0 A 1 +ATOM 97 C CB . ARG A 1 13 ? 15.815 3.611 24.771 1.00 8.69 0 A 1 +ATOM 98 C CG . ARG A 1 13 ? 14.896 4.098 23.662 1.00 6.42 0 A 1 +ATOM 99 C CD . ARG A 1 13 ? 14.694 5.596 23.736 1.00 9.52 0 A 1 +ATOM 100 N NE . ARG A 1 13 ? 13.987 6.117 22.568 1.00 11.58 0 A 1 +ATOM 101 C CZ . ARG A 1 13 ? 14.584 6.502 21.444 1.00 7.79 0 A 1 +ATOM 102 N NH1 . ARG A 1 13 ? 15.904 6.417 21.320 1.00 9.98 0 A 1 +ATOM 103 N NH2 . ARG A 1 13 ? 13.856 6.965 20.438 1.00 13.57 0 A 1 +ATOM 104 N N . CYS A 1 14 ? 17.470 0.750 26.199 1.00 8.01 0 A 1 +ATOM 105 C CA . CYS A 1 14 ? 18.685 0.383 26.927 1.00 10.51 0 A 1 +ATOM 106 C C . CYS A 1 14 ? 19.309 -0.901 26.413 1.00 6.86 0 A 1 +ATOM 107 O O . CYS A 1 14 ? 20.429 -1.250 26.795 1.00 11.77 0 A 1 +ATOM 108 C CB . CYS A 1 14 ? 18.411 0.265 28.428 1.00 10.12 0 A 1 +ATOM 109 S SG . CYS A 1 14 ? 18.129 1.852 29.221 1.00 20.17 0 A 1 +ATOM 110 N N . ALA A 1 15 ? 18.591 -1.590 25.530 1.00 12.16 0 A 1 +ATOM 111 C CA . ALA A 1 15 ? 19.059 -2.847 24.959 1.00 10.59 0 A 1 +ATOM 112 C C . ALA A 1 15 ? 20.445 -2.728 24.332 1.00 13.22 0 A 1 +ATOM 113 O O . ALA A 1 15 ? 21.353 -3.490 24.667 1.00 16.19 0 A 1 +ATOM 114 C CB . ALA A 1 15 ? 18.048 -3.362 23.935 1.00 11.84 0 A 1 +ATOM 115 N N . ALA A 1 16 ? 20.620 -1.732 23.470 1.00 10.66 0 A 1 +ATOM 116 C CA . ALA A 1 16 ? 21.892 -1.515 22.794 1.00 10.55 0 A 1 +ATOM 117 C C . ALA A 1 16 ? 23.036 -1.185 23.745 1.00 11.77 0 A 1 +ATOM 118 O O . ALA A 1 16 ? 24.125 -1.760 23.631 1.00 13.30 0 A 1 +ATOM 119 C CB . ALA A 1 16 ? 21.747 -0.433 21.742 1.00 7.90 0 A 1 +ATOM 120 N N . LEU A 1 17 ? 22.792 -0.282 24.694 1.00 13.79 0 A 1 +ATOM 121 C CA . LEU A 1 17 ? 23.834 0.100 25.648 1.00 15.76 0 A 1 +ATOM 122 C C . LEU A 1 17 ? 24.190 -1.056 26.589 1.00 15.63 0 A 1 +ATOM 123 O O . LEU A 1 17 ? 25.335 -1.168 27.035 1.00 14.09 0 A 1 +ATOM 124 C CB . LEU A 1 17 ? 23.454 1.381 26.416 1.00 18.31 0 A 1 +ATOM 125 C CG . LEU A 1 17 ? 22.302 1.445 27.420 1.00 15.06 0 A 1 +ATOM 126 C CD1 . LEU A 1 17 ? 22.845 1.235 28.820 1.00 7.81 0 A 1 +ATOM 127 C CD2 . LEU A 1 17 ? 21.617 2.808 27.334 1.00 11.06 0 A 1 +ATOM 128 N N . ARG A 1 18 ? 23.223 -1.931 26.859 1.00 12.95 0 A 1 +ATOM 129 C CA . ARG A 1 18 ? 23.468 -3.096 27.707 1.00 9.44 0 A 1 +ATOM 130 C C . ARG A 1 18 ? 24.332 -4.104 26.951 1.00 14.72 0 A 1 +ATOM 131 O O . ARG A 1 18 ? 25.273 -4.670 27.516 1.00 19.95 0 A 1 +ATOM 132 C CB . ARG A 1 18 ? 22.155 -3.748 28.125 1.00 3.62 0 A 1 +ATOM 133 C CG . ARG A 1 18 ? 21.408 -2.979 29.195 1.00 4.59 0 A 1 +ATOM 134 C CD . ARG A 1 18 ? 19.985 -3.478 29.308 1.00 6.07 0 A 1 +ATOM 135 N NE . ARG A 1 18 ? 19.289 -2.858 30.426 1.00 9.44 0 A 1 +ATOM 136 C CZ . ARG A 1 18 ? 17.970 -2.717 30.505 1.00 10.49 0 A 1 +ATOM 137 N NH1 . ARG A 1 18 ? 17.188 -3.148 29.523 1.00 11.64 0 A 1 +ATOM 138 N NH2 . ARG A 1 18 ? 17.430 -2.148 31.577 1.00 12.21 0 A 1 +ATOM 139 N N . MET A 1 19 ? 24.019 -4.313 25.671 1.00 15.59 0 A 1 +ATOM 140 C CA . MET A 1 19 ? 24.787 -5.237 24.834 1.00 9.53 0 A 1 +ATOM 141 C C . MET A 1 19 ? 26.219 -4.743 24.714 1.00 13.51 0 A 1 +ATOM 142 O O . MET A 1 19 ? 27.158 -5.536 24.713 1.00 17.53 0 A 1 +ATOM 143 C CB . MET A 1 19 ? 24.185 -5.341 23.433 1.00 6.12 0 A 1 +ATOM 144 C CG . MET A 1 19 ? 22.786 -5.920 23.379 1.00 14.48 0 A 1 +ATOM 145 S SD . MET A 1 19 ? 22.261 -6.218 21.687 1.00 21.44 0 A 1 +ATOM 146 C CE . MET A 1 19 ? 22.032 -4.592 21.115 1.00 21.58 0 A 1 +ATOM 147 N N . LEU A 1 20 ? 26.374 -3.425 24.611 1.00 14.94 0 A 1 +ATOM 148 C CA . LEU A 1 20 ? 27.689 -2.804 24.493 1.00 13.85 0 A 1 +ATOM 149 C C . LEU A 1 20 ? 28.521 -3.068 25.751 1.00 14.37 0 A 1 +ATOM 150 O O . LEU A 1 20 ? 29.675 -3.501 25.665 1.00 19.83 0 A 1 +ATOM 151 C CB . LEU A 1 20 ? 27.529 -1.296 24.252 1.00 6.31 0 A 1 +ATOM 152 C CG . LEU A 1 20 ? 28.749 -0.433 23.902 1.00 7.04 0 A 1 +ATOM 153 C CD1 . LEU A 1 20 ? 28.275 0.862 23.265 1.00 6.73 0 A 1 +ATOM 154 C CD2 . LEU A 1 20 ? 29.615 -0.147 25.128 1.00 2.64 0 A 1 +ATOM 155 N N . LEU A 1 21 ? 27.932 -2.792 26.914 1.00 15.44 0 A 1 +ATOM 156 C CA . LEU A 1 21 ? 28.607 -3.002 28.192 1.00 17.44 0 A 1 +ATOM 157 C C . LEU A 1 21 ? 28.966 -4.472 28.388 1.00 19.16 0 A 1 +ATOM 158 O O . LEU A 1 21 ? 30.093 -4.793 28.748 1.00 21.14 0 A 1 +ATOM 159 C CB . LEU A 1 21 ? 27.728 -2.518 29.350 1.00 12.85 0 A 1 +ATOM 160 C CG . LEU A 1 21 ? 27.585 -1.001 29.494 1.00 11.49 0 A 1 +ATOM 161 C CD1 . LEU A 1 21 ? 26.521 -0.668 30.522 1.00 17.36 0 A 1 +ATOM 162 C CD2 . LEU A 1 21 ? 28.925 -0.394 29.884 1.00 12.50 0 A 1 +ATOM 163 N N . ALA A 1 22 ? 28.013 -5.356 28.115 1.00 19.03 0 A 1 +ATOM 164 C CA . ALA A 1 22 ? 28.224 -6.793 28.258 1.00 22.56 0 A 1 +ATOM 165 C C . ALA A 1 22 ? 29.358 -7.280 27.364 1.00 20.63 0 A 1 +ATOM 166 O O . ALA A 1 22 ? 30.309 -7.909 27.836 1.00 23.57 0 A 1 +ATOM 167 C CB . ALA A 1 22 ? 26.946 -7.539 27.928 1.00 20.00 0 A 1 +ATOM 168 N N . ASP A 1 23 ? 29.276 -6.943 26.081 1.00 17.90 0 A 1 +ATOM 169 C CA . ASP A 1 23 ? 30.281 -7.348 25.105 1.00 14.29 0 A 1 +ATOM 170 C C . ASP A 1 23 ? 31.676 -6.787 25.386 1.00 18.12 0 A 1 +ATOM 171 O O . ASP A 1 23 ? 32.681 -7.407 25.036 1.00 19.17 0 A 1 +ATOM 172 C CB . ASP A 1 23 ? 29.836 -6.954 23.693 1.00 20.25 0 A 1 +ATOM 173 C CG . ASP A 1 23 ? 30.595 -7.706 22.612 1.00 24.17 0 A 1 +ATOM 174 O OD1 . ASP A 1 23 ? 30.503 -8.949 22.578 1.00 27.18 0 A 1 +ATOM 175 O OD2 . ASP A 1 23 ? 31.316 -7.074 21.815 1.00 20.09 0 A 1 +ATOM 176 N N . GLN A 1 24 ? 31.738 -5.613 26.006 1.00 23.01 0 A 1 +ATOM 177 C CA . GLN A 1 24 ? 33.020 -4.987 26.329 1.00 20.04 0 A 1 +ATOM 178 C C . GLN A 1 24 ? 33.566 -5.446 27.673 1.00 13.67 0 A 1 +ATOM 179 O O . GLN A 1 24 ? 34.592 -4.950 28.133 1.00 25.20 0 A 1 +ATOM 180 C CB . GLN A 1 24 ? 32.897 -3.461 26.306 1.00 19.61 0 A 1 +ATOM 181 C CG . GLN A 1 24 ? 32.696 -2.884 24.907 1.00 17.00 0 A 1 +ATOM 182 C CD . GLN A 1 24 ? 33.820 -3.268 23.968 1.00 20.65 0 A 1 +ATOM 183 N NE2 . GLN A 1 24 ? 33.472 -3.759 22.785 1.00 15.36 0 A 1 +ATOM 184 O OE1 . GLN A 1 24 ? 34.994 -3.138 24.317 1.00 16.56 0 A 1 +ATOM 185 N N . GLY A 1 25 ? 32.870 -6.391 28.298 1.00 13.69 0 A 1 +ATOM 186 C CA . GLY A 1 25 ? 33.295 -6.918 29.582 1.00 19.04 0 A 1 +ATOM 187 C C . GLY A 1 25 ? 33.165 -5.936 30.730 1.00 23.40 0 A 1 +ATOM 188 O O . GLY A 1 25 ? 33.950 -5.973 31.667 1.00 22.15 0 A 1 +ATOM 189 N N . GLN A 1 26 ? 32.171 -5.058 30.658 1.00 22.37 0 A 1 +ATOM 190 C CA . GLN A 1 26 ? 31.943 -4.060 31.700 1.00 22.39 0 A 1 +ATOM 191 C C . GLN A 1 26 ? 30.861 -4.495 32.677 1.00 23.82 0 A 1 +ATOM 192 O O . GLN A 1 26 ? 29.915 -5.189 32.306 1.00 27.13 0 A 1 +ATOM 193 C CB . GLN A 1 26 ? 31.540 -2.719 31.078 1.00 22.15 0 A 1 +ATOM 194 C CG . GLN A 1 26 ? 32.541 -2.161 30.083 1.00 24.58 0 A 1 +ATOM 195 C CD . GLN A 1 26 ? 33.901 -1.926 30.700 1.00 25.38 0 A 1 +ATOM 196 N NE2 . GLN A 1 26 ? 34.953 -2.229 29.948 1.00 26.76 0 A 1 +ATOM 197 O OE1 . GLN A 1 26 ? 34.008 -1.498 31.850 1.00 28.09 0 A 1 +ATOM 198 N N . SER A 1 27 ? 31.007 -4.064 33.926 1.00 25.17 0 A 1 +ATOM 199 C CA . SER A 1 27 ? 30.052 -4.378 34.983 1.00 25.84 0 A 1 +ATOM 200 C C . SER A 1 27 ? 29.194 -3.143 35.206 1.00 22.71 0 A 1 +ATOM 201 O O . SER A 1 27 ? 29.686 -2.018 35.124 1.00 21.89 0 A 1 +ATOM 202 C CB . SER A 1 27 ? 30.786 -4.692 36.291 1.00 30.59 0 A 1 +ATOM 203 O OG . SER A 1 27 ? 31.909 -5.523 36.071 1.00 38.10 0 A 1 +ATOM 204 N N . TRP A 1 28 ? 27.915 -3.345 35.493 1.00 19.21 0 A 1 +ATOM 205 C CA . TRP A 1 28 ? 27.033 -2.220 35.755 1.00 19.94 0 A 1 +ATOM 206 C C . TRP A 1 28 ? 25.903 -2.616 36.697 1.00 17.58 0 A 1 +ATOM 207 O O . TRP A 1 28 ? 25.584 -3.795 36.841 1.00 22.16 0 A 1 +ATOM 208 C CB . TRP A 1 28 ? 26.472 -1.638 34.453 1.00 14.32 0 A 1 +ATOM 209 C CG . TRP A 1 28 ? 25.449 -2.498 33.757 1.00 16.19 0 A 1 +ATOM 210 C CD1 . TRP A 1 28 ? 24.090 -2.375 33.830 1.00 14.18 0 A 1 +ATOM 211 C CD2 . TRP A 1 28 ? 25.709 -3.566 32.833 1.00 15.51 0 A 1 +ATOM 212 C CE2 . TRP A 1 28 ? 24.457 -4.035 32.378 1.00 13.32 0 A 1 +ATOM 213 C CE3 . TRP A 1 28 ? 26.877 -4.171 32.344 1.00 12.70 0 A 1 +ATOM 214 N NE1 . TRP A 1 28 ? 23.491 -3.293 33.002 1.00 14.87 0 A 1 +ATOM 215 C CZ2 . TRP A 1 28 ? 24.341 -5.078 31.453 1.00 12.28 0 A 1 +ATOM 216 C CZ3 . TRP A 1 28 ? 26.759 -5.209 31.426 1.00 14.88 0 A 1 +ATOM 217 C CH2 . TRP A 1 28 ? 25.497 -5.650 30.991 1.00 14.09 0 A 1 +ATOM 218 N N . LYS A 1 29 ? 25.311 -1.615 37.337 1.00 18.25 0 A 1 +ATOM 219 C CA . LYS A 1 29 ? 24.219 -1.817 38.272 1.00 22.72 0 A 1 +ATOM 220 C C . LYS A 1 29 ? 22.915 -1.406 37.610 1.00 26.40 0 A 1 +ATOM 221 O O . LYS A 1 29 ? 22.855 -0.391 36.920 1.00 23.28 0 A 1 +ATOM 222 C CB . LYS A 1 29 ? 24.465 -0.976 39.529 1.00 30.34 0 A 1 +ATOM 223 C CG . LYS A 1 29 ? 23.266 -0.813 40.449 1.00 43.32 0 A 1 +ATOM 224 C CD . LYS A 1 29 ? 22.942 -2.085 41.219 1.00 54.54 0 A 1 +ATOM 225 C CE . LYS A 1 29 ? 21.690 -1.893 42.070 1.00 60.40 0 A 1 +ATOM 226 N NZ . LYS A 1 29 ? 21.792 -0.670 42.925 1.00 63.78 0 A 1 +ATOM 227 N N . GLU A 1 30 ? 21.883 -2.220 37.792 1.00 28.16 0 A 1 +ATOM 228 C CA . GLU A 1 30 ? 20.575 -1.930 37.229 1.00 21.35 0 A 1 +ATOM 229 C C . GLU A 1 30 ? 19.651 -1.439 38.332 1.00 25.95 0 A 1 +ATOM 230 O O . GLU A 1 30 ? 19.456 -2.119 39.339 1.00 27.35 0 A 1 +ATOM 231 C CB . GLU A 1 30 ? 19.971 -3.182 36.581 1.00 21.62 0 A 1 +ATOM 232 C CG . GLU A 1 30 ? 20.635 -3.620 35.278 1.00 22.40 0 A 1 +ATOM 233 C CD . GLU A 1 30 ? 20.113 -2.894 34.036 1.00 19.47 0 A 1 +ATOM 234 O OE1 . GLU A 1 30 ? 19.166 -2.081 34.132 1.00 23.49 0 A 1 +ATOM 235 O OE2 . GLU A 1 30 ? 20.642 -3.166 32.940 1.00 23.95 0 A 1 +ATOM 236 N N . GLU A 1 31 ? 19.141 -0.226 38.162 1.00 27.33 0 A 1 +ATOM 237 C CA . GLU A 1 31 ? 18.212 0.369 39.109 1.00 27.44 0 A 1 +ATOM 238 C C . GLU A 1 31 ? 16.875 0.323 38.411 1.00 26.43 0 A 1 +ATOM 239 O O . GLU A 1 31 ? 16.590 1.143 37.543 1.00 26.83 0 A 1 +ATOM 240 C CB . GLU A 1 31 ? 18.600 1.815 39.412 1.00 34.21 0 A 1 +ATOM 241 C CG . GLU A 1 31 ? 19.672 1.960 40.474 1.00 45.46 0 A 1 +ATOM 242 C CD . GLU A 1 31 ? 19.149 1.662 41.865 1.00 52.18 0 A 1 +ATOM 243 O OE1 . GLU A 1 31 ? 19.103 0.473 42.253 1.00 58.42 0 A 1 +ATOM 244 O OE2 . GLU A 1 31 ? 18.780 2.623 42.572 1.00 63.82 0 A 1 +ATOM 245 N N . VAL A 1 32 ? 16.074 -0.675 38.753 1.00 27.52 0 A 1 +ATOM 246 C CA . VAL A 1 32 ? 14.771 -0.841 38.132 1.00 27.08 0 A 1 +ATOM 247 C C . VAL A 1 32 ? 13.711 0.081 38.711 1.00 31.93 0 A 1 +ATOM 248 O O . VAL A 1 32 ? 13.533 0.168 39.922 1.00 33.19 0 A 1 +ATOM 249 C CB . VAL A 1 32 ? 14.290 -2.303 38.222 1.00 26.16 0 A 1 +ATOM 250 C CG1 . VAL A 1 32 ? 12.968 -2.469 37.496 1.00 17.94 0 A 1 +ATOM 251 C CG2 . VAL A 1 32 ? 15.342 -3.230 37.632 1.00 18.82 0 A 1 +ATOM 252 N N . VAL A 1 33 ? 13.021 0.782 37.821 1.00 30.78 0 A 1 +ATOM 253 C CA . VAL A 1 33 ? 11.956 1.693 38.197 1.00 27.34 0 A 1 +ATOM 254 C C . VAL A 1 33 ? 10.673 1.115 37.629 1.00 29.88 0 A 1 +ATOM 255 O O . VAL A 1 33 ? 10.568 0.885 36.422 1.00 30.38 0 A 1 +ATOM 256 C CB . VAL A 1 33 ? 12.180 3.106 37.603 1.00 24.70 0 A 1 +ATOM 257 C CG1 . VAL A 1 33 ? 10.984 4.002 37.892 1.00 19.75 0 A 1 +ATOM 258 C CG2 . VAL A 1 33 ? 13.446 3.720 38.172 1.00 23.49 0 A 1 +ATOM 259 N N . THR A 1 34 ? 9.713 0.850 38.506 1.00 33.84 0 A 1 +ATOM 260 C CA . THR A 1 34 ? 8.429 0.298 38.090 1.00 38.76 0 A 1 +ATOM 261 C C . THR A 1 34 ? 7.491 1.426 37.669 1.00 38.33 0 A 1 +ATOM 262 O O . THR A 1 34 ? 7.734 2.591 37.983 1.00 34.11 0 A 1 +ATOM 263 C CB . THR A 1 34 ? 7.770 -0.500 39.231 1.00 40.00 0 A 1 +ATOM 264 C CG2 . THR A 1 34 ? 8.716 -1.576 39.739 1.00 43.99 0 A 1 +ATOM 265 O OG1 . THR A 1 34 ? 7.449 0.386 40.311 1.00 47.23 0 A 1 +ATOM 266 N N . VAL A 1 35 ? 6.421 1.072 36.961 1.00 44.47 0 A 1 +ATOM 267 C CA . VAL A 1 35 ? 5.430 2.046 36.503 1.00 51.24 0 A 1 +ATOM 268 C C . VAL A 1 35 ? 4.763 2.744 37.696 1.00 52.85 0 A 1 +ATOM 269 O O . VAL A 1 35 ? 4.352 3.900 37.599 1.00 49.57 0 A 1 +ATOM 270 C CB . VAL A 1 35 ? 4.345 1.367 35.624 1.00 54.76 0 A 1 +ATOM 271 C CG1 . VAL A 1 35 ? 3.464 0.436 36.471 1.00 56.65 0 A 1 +ATOM 272 C CG2 . VAL A 1 35 ? 3.508 2.415 34.905 1.00 59.30 0 A 1 +ATOM 273 N N . GLU A 1 36 ? 4.677 2.035 38.820 1.00 55.74 0 A 1 +ATOM 274 C CA . GLU A 1 36 ? 4.078 2.572 40.039 1.00 59.48 0 A 1 +ATOM 275 C C . GLU A 1 36 ? 4.960 3.681 40.599 1.00 56.13 0 A 1 +ATOM 276 O O . GLU A 1 36 ? 4.495 4.800 40.823 1.00 56.46 0 A 1 +ATOM 277 C CB . GLU A 1 36 ? 3.948 1.473 41.092 1.00 67.77 0 A 1 +ATOM 278 C CG . GLU A 1 36 ? 3.445 0.142 40.565 1.00 76.47 0 A 1 +ATOM 279 C CD . GLU A 1 36 ? 4.198 -1.038 41.164 1.00 82.46 0 A 1 +ATOM 280 O OE1 . GLU A 1 36 ? 4.757 -0.902 42.277 1.00 85.41 0 A 1 +ATOM 281 O OE2 . GLU A 1 36 ? 4.238 -2.105 40.518 1.00 85.68 0 A 1 +ATOM 282 N N . THR A 1 37 ? 6.232 3.355 40.828 1.00 51.46 0 A 1 +ATOM 283 C CA . THR A 1 37 ? 7.204 4.305 41.364 1.00 45.60 0 A 1 +ATOM 284 C C . THR A 1 37 ? 7.276 5.562 40.490 1.00 44.79 0 A 1 +ATOM 285 O O . THR A 1 37 ? 7.340 6.681 41.003 1.00 45.62 0 A 1 +ATOM 286 C CB . THR A 1 37 ? 8.615 3.672 41.447 1.00 44.50 0 A 1 +ATOM 287 C CG2 . THR A 1 37 ? 9.544 4.536 42.290 1.00 37.84 0 A 1 +ATOM 288 O OG1 . THR A 1 37 ? 8.528 2.371 42.040 1.00 41.82 0 A 1 +ATOM 289 N N . TRP A 1 38 ? 7.239 5.364 39.172 1.00 40.28 0 A 1 +ATOM 290 C CA . TRP A 1 38 ? 7.305 6.459 38.203 1.00 40.08 0 A 1 +ATOM 291 C C . TRP A 1 38 ? 6.096 7.393 38.300 1.00 47.98 0 A 1 +ATOM 292 O O . TRP A 1 38 ? 6.249 8.617 38.278 1.00 49.08 0 A 1 +ATOM 293 C CB . TRP A 1 38 ? 7.428 5.896 36.780 1.00 31.25 0 A 1 +ATOM 294 C CG . TRP A 1 38 ? 7.661 6.931 35.701 1.00 30.98 0 A 1 +ATOM 295 C CD1 . TRP A 1 38 ? 6.790 7.298 34.715 1.00 30.41 0 A 1 +ATOM 296 C CD2 . TRP A 1 38 ? 8.859 7.693 35.485 1.00 26.47 0 A 1 +ATOM 297 C CE2 . TRP A 1 38 ? 8.638 8.498 34.344 1.00 26.96 0 A 1 +ATOM 298 C CE3 . TRP A 1 38 ? 10.097 7.773 36.138 1.00 22.72 0 A 1 +ATOM 299 N NE1 . TRP A 1 38 ? 7.369 8.235 33.897 1.00 28.08 0 A 1 +ATOM 300 C CZ2 . TRP A 1 38 ? 9.611 9.372 33.842 1.00 20.94 0 A 1 +ATOM 301 C CZ3 . TRP A 1 38 ? 11.065 8.641 35.639 1.00 20.39 0 A 1 +ATOM 302 C CH2 . TRP A 1 38 ? 10.813 9.429 34.501 1.00 19.14 0 A 1 +ATOM 303 N N . GLN A 1 39 ? 4.902 6.813 38.421 1.00 52.93 0 A 1 +ATOM 304 C CA . GLN A 1 39 ? 3.676 7.599 38.523 1.00 54.31 0 A 1 +ATOM 305 C C . GLN A 1 39 ? 3.551 8.367 39.836 1.00 55.37 0 A 1 +ATOM 306 O O . GLN A 1 39 ? 2.690 9.236 39.972 1.00 58.81 0 A 1 +ATOM 307 C CB . GLN A 1 39 ? 2.456 6.715 38.288 1.00 53.82 0 A 1 +ATOM 308 C CG . GLN A 1 39 ? 2.354 6.233 36.850 1.00 57.70 0 A 1 +ATOM 309 C CD . GLN A 1 39 ? 1.292 5.173 36.648 1.00 62.90 0 A 1 +ATOM 310 N NE2 . GLN A 1 39 ? 0.943 4.922 35.392 1.00 61.57 0 A 1 +ATOM 311 O OE1 . GLN A 1 39 ? 0.797 4.578 37.607 1.00 64.12 0 A 1 +ATOM 312 N N . GLU A 1 40 ? 4.421 8.053 40.795 1.00 55.83 0 A 1 +ATOM 313 C CA . GLU A 1 40 ? 4.428 8.743 42.080 1.00 56.23 0 A 1 +ATOM 314 C C . GLU A 1 40 ? 4.853 10.200 41.834 1.00 55.90 0 A 1 +ATOM 315 O O . GLU A 1 40 ? 4.470 11.100 42.581 1.00 57.28 0 A 1 +ATOM 316 C CB . GLU A 1 40 ? 5.373 8.031 43.054 1.00 54.56 0 A 1 +ATOM 317 C CG . GLU A 1 40 ? 5.412 8.617 44.451 1.00 56.26 0 A 1 +ATOM 318 C CD . GLU A 1 40 ? 6.628 9.486 44.674 1.00 59.52 0 A 1 +ATOM 319 O OE1 . GLU A 1 40 ? 7.700 8.924 44.984 1.00 63.51 0 A 1 +ATOM 320 O OE2 . GLU A 1 40 ? 6.517 10.723 44.528 1.00 64.99 0 A 1 +ATOM 321 N N . GLY A 1 41 ? 5.649 10.415 40.783 1.00 53.72 0 A 1 +ATOM 322 C CA . GLY A 1 41 ? 6.069 11.757 40.415 1.00 50.20 0 A 1 +ATOM 323 C C . GLY A 1 41 ? 7.438 12.310 40.773 1.00 47.39 0 A 1 +ATOM 324 O O . GLY A 1 41 ? 8.028 13.035 39.974 1.00 47.83 0 A 1 +ATOM 325 N N . SER A 1 42 ? 7.949 11.983 41.955 1.00 47.38 0 A 1 +ATOM 326 C CA . SER A 1 42 ? 9.241 12.506 42.405 1.00 48.92 0 A 1 +ATOM 327 C C . SER A 1 42 ? 10.445 12.287 41.484 1.00 44.77 0 A 1 +ATOM 328 O O . SER A 1 42 ? 11.182 13.233 41.205 1.00 45.99 0 A 1 +ATOM 329 C CB . SER A 1 42 ? 9.560 12.000 43.812 1.00 52.32 0 A 1 +ATOM 330 O OG . SER A 1 42 ? 9.633 10.588 43.833 1.00 58.12 0 A 1 +ATOM 331 N N . LEU A 1 43 ? 10.649 11.053 41.023 1.00 42.84 0 A 1 +ATOM 332 C CA . LEU A 1 43 ? 11.777 10.738 40.141 1.00 39.02 0 A 1 +ATOM 333 C C . LEU A 1 43 ? 11.672 11.474 38.803 1.00 32.41 0 A 1 +ATOM 334 O O . LEU A 1 43 ? 12.646 12.074 38.344 1.00 32.28 0 A 1 +ATOM 335 C CB . LEU A 1 43 ? 11.865 9.229 39.883 1.00 40.03 0 A 1 +ATOM 336 C CG . LEU A 1 43 ? 13.242 8.567 39.694 1.00 41.34 0 A 1 +ATOM 337 C CD1 . LEU A 1 43 ? 13.109 7.457 38.677 1.00 42.89 0 A 1 +ATOM 338 C CD2 . LEU A 1 43 ? 14.315 9.549 39.246 1.00 40.07 0 A 1 +ATOM 339 N N . LYS A 1 44 ? 10.494 11.415 38.184 1.00 27.63 0 A 1 +ATOM 340 C CA . LYS A 1 44 ? 10.247 12.071 36.901 1.00 31.13 0 A 1 +ATOM 341 C C . LYS A 1 44 ? 10.612 13.551 36.969 1.00 32.68 0 A 1 +ATOM 342 O O . LYS A 1 44 ? 11.250 14.086 36.062 1.00 26.79 0 A 1 +ATOM 343 C CB . LYS A 1 44 ? 8.775 11.939 36.516 1.00 29.67 0 A 1 +ATOM 344 C CG . LYS A 1 44 ? 8.460 12.409 35.105 1.00 31.53 0 A 1 +ATOM 345 C CD . LYS A 1 44 ? 6.964 12.558 34.887 1.00 27.37 0 A 1 +ATOM 346 C CE . LYS A 1 44 ? 6.572 12.269 33.444 1.00 34.09 0 A 1 +ATOM 347 N NZ . LYS A 1 44 ? 7.455 12.940 32.449 1.00 23.30 0 A 1 +ATOM 348 N N . ALA A 1 45 ? 10.226 14.189 38.071 1.00 35.90 0 A 1 +ATOM 349 C CA . ALA A 1 45 ? 10.485 15.604 38.295 1.00 34.20 0 A 1 +ATOM 350 C C . ALA A 1 45 ? 11.972 15.932 38.382 1.00 31.91 0 A 1 +ATOM 351 O O . ALA A 1 45 ? 12.385 17.032 38.017 1.00 35.00 0 A 1 +ATOM 352 C CB . ALA A 1 45 ? 9.769 16.070 39.554 1.00 39.21 0 A 1 +ATOM 353 N N . SER A 1 46 ? 12.772 14.989 38.874 1.00 30.04 0 A 1 +ATOM 354 C CA . SER A 1 46 ? 14.214 15.203 38.996 1.00 26.69 0 A 1 +ATOM 355 C C . SER A 1 46 ? 14.982 14.889 37.710 1.00 21.42 0 A 1 +ATOM 356 O O . SER A 1 46 ? 16.181 15.164 37.620 1.00 19.15 0 A 1 +ATOM 357 C CB . SER A 1 46 ? 14.785 14.382 40.150 1.00 24.78 0 A 1 +ATOM 358 O OG . SER A 1 46 ? 14.561 12.999 39.945 1.00 30.49 0 A 1 +ATOM 359 N N . CYS A 1 47 ? 14.304 14.271 36.742 1.00 17.89 0 A 1 +ATOM 360 C CA . CYS A 1 47 ? 14.919 13.937 35.454 1.00 18.12 0 A 1 +ATOM 361 C C . CYS A 1 47 ? 14.912 15.173 34.559 1.00 24.60 0 A 1 +ATOM 362 O O . CYS A 1 47 ? 13.866 15.806 34.386 1.00 18.53 0 A 1 +ATOM 363 C CB . CYS A 1 47 ? 14.152 12.808 34.760 1.00 22.03 0 A 1 +ATOM 364 S SG . CYS A 1 47 ? 14.304 11.197 35.554 1.00 18.70 0 A 1 +ATOM 365 N N . LEU A 1 48 ? 16.067 15.487 33.971 1.00 24.40 0 A 1 +ATOM 366 C CA . LEU A 1 48 ? 16.221 16.659 33.103 1.00 23.56 0 A 1 +ATOM 367 C C . LEU A 1 48 ? 15.094 16.874 32.084 1.00 27.30 0 A 1 +ATOM 368 O O . LEU A 1 48 ? 14.545 17.971 31.989 1.00 22.64 0 A 1 +ATOM 369 C CB . LEU A 1 48 ? 17.572 16.613 32.388 1.00 21.53 0 A 1 +ATOM 370 C CG . LEU A 1 48 ? 17.905 17.809 31.494 1.00 22.09 0 A 1 +ATOM 371 C CD1 . LEU A 1 48 ? 17.888 19.098 32.309 1.00 17.28 0 A 1 +ATOM 372 C CD2 . LEU A 1 48 ? 19.263 17.598 30.853 1.00 20.84 0 A 1 +ATOM 373 N N . TYR A 1 49 ? 14.754 15.834 31.326 1.00 27.07 0 A 1 +ATOM 374 C CA . TYR A 1 49 ? 13.688 15.931 30.332 1.00 19.61 0 A 1 +ATOM 375 C C . TYR A 1 49 ? 12.441 15.158 30.766 1.00 22.54 0 A 1 +ATOM 376 O O . TYR A 1 49 ? 11.530 14.928 29.961 1.00 25.71 0 A 1 +ATOM 377 C CB . TYR A 1 49 ? 14.175 15.426 28.970 1.00 11.29 0 A 1 +ATOM 378 C CG . TYR A 1 49 ? 15.371 16.179 28.427 1.00 14.21 0 A 1 +ATOM 379 C CD1 . TYR A 1 49 ? 15.281 17.531 28.084 1.00 13.87 0 A 1 +ATOM 380 C CD2 . TYR A 1 49 ? 16.596 15.538 28.252 1.00 8.76 0 A 1 +ATOM 381 C CE1 . TYR A 1 49 ? 16.391 18.223 27.578 1.00 16.10 0 A 1 +ATOM 382 C CE2 . TYR A 1 49 ? 17.707 16.215 27.748 1.00 12.58 0 A 1 +ATOM 383 C CZ . TYR A 1 49 ? 17.599 17.555 27.413 1.00 17.84 0 A 1 +ATOM 384 O OH . TYR A 1 49 ? 18.697 18.217 26.906 1.00 23.88 0 A 1 +ATOM 385 N N . GLY A 1 50 ? 12.413 14.771 32.043 1.00 23.21 0 A 1 +ATOM 386 C CA . GLY A 1 50 ? 11.288 14.033 32.598 1.00 24.88 0 A 1 +ATOM 387 C C . GLY A 1 50 ? 11.147 12.622 32.061 1.00 25.30 0 A 1 +ATOM 388 O O . GLY A 1 50 ? 10.043 12.068 32.051 1.00 24.60 0 A 1 +ATOM 389 N N . GLN A 1 51 ? 12.254 12.036 31.608 1.00 23.03 0 A 1 +ATOM 390 C CA . GLN A 1 51 ? 12.215 10.686 31.059 1.00 20.94 0 A 1 +ATOM 391 C C . GLN A 1 51 ? 13.437 9.843 31.405 1.00 20.93 0 A 1 +ATOM 392 O O . GLN A 1 51 ? 14.458 10.358 31.865 1.00 19.15 0 A 1 +ATOM 393 C CB . GLN A 1 51 ? 12.079 10.738 29.534 1.00 17.49 0 A 1 +ATOM 394 C CG . GLN A 1 51 ? 10.789 11.340 29.017 1.00 22.63 0 A 1 +ATOM 395 C CD . GLN A 1 51 ? 10.609 11.132 27.529 1.00 22.92 0 A 1 +ATOM 396 N NE2 . GLN A 1 51 ? 11.640 11.452 26.758 1.00 26.01 0 A 1 +ATOM 397 O OE1 . GLN A 1 51 ? 9.567 10.663 27.080 1.00 30.18 0 A 1 +ATOM 398 N N . LEU A 1 52 ? 13.300 8.535 31.194 1.00 24.66 0 A 1 +ATOM 399 C CA . LEU A 1 52 ? 14.378 7.575 31.417 1.00 14.22 0 A 1 +ATOM 400 C C . LEU A 1 52 ? 14.744 7.029 30.028 1.00 18.03 0 A 1 +ATOM 401 O O . LEU A 1 52 ? 13.942 7.114 29.101 1.00 17.87 0 A 1 +ATOM 402 C CB . LEU A 1 52 ? 13.906 6.449 32.346 1.00 15.86 0 A 1 +ATOM 403 C CG . LEU A 1 52 ? 13.559 6.853 33.787 1.00 18.44 0 A 1 +ATOM 404 C CD1 . LEU A 1 52 ? 13.012 5.654 34.554 1.00 16.72 0 A 1 +ATOM 405 C CD2 . LEU A 1 52 ? 14.787 7.422 34.491 1.00 16.45 0 A 1 +ATOM 406 N N . PRO A 1 53 ? 15.916 6.393 29.879 1.00 18.70 0 A 1 +ATOM 407 C CA . PRO A 1 53 ? 16.958 6.104 30.868 1.00 19.18 0 A 1 +ATOM 408 C C . PRO A 1 53 ? 17.741 7.269 31.463 1.00 22.97 0 A 1 +ATOM 409 O O . PRO A 1 53 ? 17.821 8.365 30.900 1.00 21.82 0 A 1 +ATOM 410 C CB . PRO A 1 53 ? 17.899 5.173 30.101 1.00 15.73 0 A 1 +ATOM 411 C CG . PRO A 1 53 ? 17.827 5.716 28.710 1.00 12.31 0 A 1 +ATOM 412 C CD . PRO A 1 53 ? 16.329 5.916 28.543 1.00 17.51 0 A 1 +ATOM 413 N N . LYS A 1 54 ? 18.298 6.988 32.634 1.00 16.55 0 A 1 +ATOM 414 C CA . LYS A 1 54 ? 19.153 7.896 33.370 1.00 13.11 0 A 1 +ATOM 415 C C . LYS A 1 54 ? 20.388 7.017 33.525 1.00 12.48 0 A 1 +ATOM 416 O O . LYS A 1 54 ? 20.275 5.817 33.763 1.00 15.43 0 A 1 +ATOM 417 C CB . LYS A 1 54 ? 18.557 8.225 34.736 1.00 8.45 0 A 1 +ATOM 418 C CG . LYS A 1 54 ? 19.461 9.088 35.602 1.00 16.35 0 A 1 +ATOM 419 C CD . LYS A 1 54 ? 18.866 9.289 36.976 1.00 21.38 0 A 1 +ATOM 420 C CE . LYS A 1 54 ? 19.861 9.935 37.918 1.00 29.03 0 A 1 +ATOM 421 N NZ . LYS A 1 54 ? 19.290 10.038 39.285 1.00 32.77 0 A 1 +ATOM 422 N N . PHE A 1 55 ? 21.564 7.600 33.378 1.00 14.72 0 A 1 +ATOM 423 C CA . PHE A 1 55 ? 22.793 6.830 33.465 1.00 15.51 0 A 1 +ATOM 424 C C . PHE A 1 55 ? 23.797 7.525 34.363 1.00 16.16 0 A 1 +ATOM 425 O O . PHE A 1 55 ? 23.813 8.746 34.460 1.00 13.32 0 A 1 +ATOM 426 C CB . PHE A 1 55 ? 23.367 6.672 32.056 1.00 12.80 0 A 1 +ATOM 427 C CG . PHE A 1 55 ? 24.585 5.793 31.971 1.00 15.63 0 A 1 +ATOM 428 C CD1 . PHE A 1 55 ? 24.465 4.407 31.997 1.00 13.51 0 A 1 +ATOM 429 C CD2 . PHE A 1 55 ? 25.848 6.352 31.796 1.00 15.95 0 A 1 +ATOM 430 C CE1 . PHE A 1 55 ? 25.585 3.590 31.845 1.00 14.04 0 A 1 +ATOM 431 C CE2 . PHE A 1 55 ? 26.974 5.543 31.643 1.00 16.14 0 A 1 +ATOM 432 C CZ . PHE A 1 55 ? 26.840 4.160 31.667 1.00 14.88 0 A 1 +ATOM 433 N N . GLN A 1 56 ? 24.620 6.739 35.041 1.00 23.80 0 A 1 +ATOM 434 C CA . GLN A 1 56 ? 25.636 7.294 35.912 1.00 24.68 0 A 1 +ATOM 435 C C . GLN A 1 56 ? 26.976 6.626 35.693 1.00 22.65 0 A 1 +ATOM 436 O O . GLN A 1 56 ? 27.080 5.402 35.614 1.00 24.31 0 A 1 +ATOM 437 C CB . GLN A 1 56 ? 25.212 7.189 37.379 1.00 26.69 0 A 1 +ATOM 438 C CG . GLN A 1 56 ? 24.110 8.162 37.756 1.00 26.64 0 A 1 +ATOM 439 C CD . GLN A 1 56 ? 23.567 7.936 39.146 1.00 34.87 0 A 1 +ATOM 440 N NE2 . GLN A 1 56 ? 23.039 8.992 39.750 1.00 40.91 0 A 1 +ATOM 441 O OE1 . GLN A 1 56 ? 23.592 6.820 39.662 1.00 39.45 0 A 1 +ATOM 442 N N . ASP A 1 57 ? 27.985 7.462 35.507 1.00 19.91 0 A 1 +ATOM 443 C CA . ASP A 1 57 ? 29.354 7.026 35.324 1.00 20.55 0 A 1 +ATOM 444 C C . ASP A 1 57 ? 30.075 7.835 36.396 1.00 22.53 0 A 1 +ATOM 445 O O . ASP A 1 57 ? 30.418 8.994 36.180 1.00 27.33 0 A 1 +ATOM 446 C CB . ASP A 1 57 ? 29.844 7.403 33.925 1.00 21.74 0 A 1 +ATOM 447 C CG . ASP A 1 57 ? 31.292 7.016 33.683 1.00 27.52 0 A 1 +ATOM 448 O OD1 . ASP A 1 57 ? 31.934 6.448 34.592 1.00 34.81 0 A 1 +ATOM 449 O OD2 . ASP A 1 57 ? 31.802 7.305 32.583 1.00 24.61 0 A 1 +ATOM 450 N N . GLY A 1 58 ? 30.265 7.231 37.565 1.00 23.28 0 A 1 +ATOM 451 C CA . GLY A 1 58 ? 30.895 7.942 38.660 1.00 23.67 0 A 1 +ATOM 452 C C . GLY A 1 58 ? 29.869 8.974 39.091 1.00 23.13 0 A 1 +ATOM 453 O O . GLY A 1 58 ? 28.704 8.631 39.307 1.00 22.57 0 A 1 +ATOM 454 N N . ASP A 1 59 ? 30.265 10.240 39.167 1.00 24.58 0 A 1 +ATOM 455 C CA . ASP A 1 59 ? 29.319 11.280 39.556 1.00 24.16 0 A 1 +ATOM 456 C C . ASP A 1 59 ? 28.710 11.998 38.347 1.00 24.90 0 A 1 +ATOM 457 O O . ASP A 1 59 ? 27.966 12.967 38.505 1.00 29.87 0 A 1 +ATOM 458 C CB . ASP A 1 59 ? 29.950 12.273 40.545 1.00 22.42 0 A 1 +ATOM 459 C CG . ASP A 1 59 ? 30.968 13.201 39.901 1.00 24.20 0 A 1 +ATOM 460 O OD1 . ASP A 1 59 ? 31.544 12.862 38.847 1.00 27.29 0 A 1 +ATOM 461 O OD2 . ASP A 1 59 ? 31.192 14.287 40.472 1.00 29.42 0 A 1 +ATOM 462 N N . LEU A 1 60 ? 29.027 11.512 37.145 1.00 21.82 0 A 1 +ATOM 463 C CA . LEU A 1 60 ? 28.494 12.085 35.913 1.00 19.28 0 A 1 +ATOM 464 C C . LEU A 1 60 ? 27.126 11.457 35.671 1.00 19.01 0 A 1 +ATOM 465 O O . LEU A 1 60 ? 27.011 10.243 35.526 1.00 14.88 0 A 1 +ATOM 466 C CB . LEU A 1 60 ? 29.409 11.766 34.728 1.00 20.17 0 A 1 +ATOM 467 C CG . LEU A 1 60 ? 29.465 12.720 33.524 1.00 21.45 0 A 1 +ATOM 468 C CD1 . LEU A 1 60 ? 29.646 11.916 32.249 1.00 16.79 0 A 1 +ATOM 469 C CD2 . LEU A 1 60 ? 28.221 13.580 33.425 1.00 16.92 0 A 1 +ATOM 470 N N . THR A 1 61 ? 26.090 12.288 35.654 1.00 21.90 0 A 1 +ATOM 471 C CA . THR A 1 61 ? 24.728 11.824 35.426 1.00 20.64 0 A 1 +ATOM 472 C C . THR A 1 61 ? 24.315 12.239 34.018 1.00 20.73 0 A 1 +ATOM 473 O O . THR A 1 61 ? 24.400 13.412 33.662 1.00 23.04 0 A 1 +ATOM 474 C CB . THR A 1 61 ? 23.750 12.425 36.458 1.00 18.37 0 A 1 +ATOM 475 C CG2 . THR A 1 61 ? 22.324 11.965 36.189 1.00 13.76 0 A 1 +ATOM 476 O OG1 . THR A 1 61 ? 24.142 12.018 37.774 1.00 11.79 0 A 1 +ATOM 477 N N . LEU A 1 62 ? 23.876 11.266 33.226 1.00 19.85 0 A 1 +ATOM 478 C CA . LEU A 1 62 ? 23.472 11.496 31.843 1.00 15.59 0 A 1 +ATOM 479 C C . LEU A 1 62 ? 22.042 11.063 31.553 1.00 14.82 0 A 1 +ATOM 480 O O . LEU A 1 62 ? 21.476 10.226 32.251 1.00 18.00 0 A 1 +ATOM 481 C CB . LEU A 1 62 ? 24.410 10.730 30.899 1.00 8.32 0 A 1 +ATOM 482 C CG . LEU A 1 62 ? 25.628 11.376 30.228 1.00 13.88 0 A 1 +ATOM 483 C CD1 . LEU A 1 62 ? 25.999 12.710 30.841 1.00 11.63 0 A 1 +ATOM 484 C CD2 . LEU A 1 62 ? 26.794 10.404 30.272 1.00 11.52 0 A 1 +ATOM 485 N N . TYR A 1 63 ? 21.458 11.681 30.536 1.00 19.55 0 A 1 +ATOM 486 C CA . TYR A 1 63 ? 20.116 11.356 30.068 1.00 16.45 0 A 1 +ATOM 487 C C . TYR A 1 63 ? 20.251 11.221 28.550 1.00 15.51 0 A 1 +ATOM 488 O O . TYR A 1 63 ? 21.303 11.560 27.995 1.00 11.02 0 A 1 +ATOM 489 C CB . TYR A 1 63 ? 19.116 12.453 30.432 1.00 14.93 0 A 1 +ATOM 490 C CG . TYR A 1 63 ? 18.897 12.591 31.921 1.00 17.41 0 A 1 +ATOM 491 C CD1 . TYR A 1 63 ? 17.919 11.843 32.579 1.00 15.85 0 A 1 +ATOM 492 C CD2 . TYR A 1 63 ? 19.688 13.453 32.682 1.00 15.04 0 A 1 +ATOM 493 C CE1 . TYR A 1 63 ? 17.741 11.951 33.961 1.00 15.95 0 A 1 +ATOM 494 C CE2 . TYR A 1 63 ? 19.519 13.567 34.054 1.00 15.90 0 A 1 +ATOM 495 C CZ . TYR A 1 63 ? 18.548 12.814 34.688 1.00 16.84 0 A 1 +ATOM 496 O OH . TYR A 1 63 ? 18.403 12.911 36.051 1.00 18.82 0 A 1 +ATOM 497 N N . GLN A 1 64 ? 19.210 10.705 27.893 1.00 17.75 0 A 1 +ATOM 498 C CA . GLN A 1 64 ? 19.207 10.506 26.440 1.00 14.61 0 A 1 +ATOM 499 C C . GLN A 1 64 ? 20.039 9.271 26.079 1.00 14.20 0 A 1 +ATOM 500 O O . GLN A 1 64 ? 21.266 9.262 26.226 1.00 17.72 0 A 1 +ATOM 501 C CB . GLN A 1 64 ? 19.732 11.757 25.718 1.00 19.47 0 A 1 +ATOM 502 C CG . GLN A 1 64 ? 18.864 12.999 25.915 1.00 19.81 0 A 1 +ATOM 503 C CD . GLN A 1 64 ? 17.596 12.954 25.091 1.00 19.26 0 A 1 +ATOM 504 N NE2 . GLN A 1 64 ? 16.786 13.992 25.195 1.00 18.98 0 A 1 +ATOM 505 O OE1 . GLN A 1 64 ? 17.369 12.010 24.339 1.00 26.64 0 A 1 +ATOM 506 N N . SER A 1 65 ? 19.354 8.232 25.607 1.00 14.83 0 A 1 +ATOM 507 C CA . SER A 1 65 ? 19.990 6.965 25.253 1.00 12.57 0 A 1 +ATOM 508 C C . SER A 1 65 ? 21.186 7.099 24.315 1.00 12.63 0 A 1 +ATOM 509 O O . SER A 1 65 ? 22.228 6.480 24.552 1.00 18.50 0 A 1 +ATOM 510 C CB . SER A 1 65 ? 18.962 6.000 24.665 1.00 15.98 0 A 1 +ATOM 511 O OG . SER A 1 65 ? 18.347 6.550 23.517 1.00 12.18 0 A 1 +ATOM 512 N N . ASN A 1 66 ? 21.050 7.922 23.273 1.00 11.55 0 A 1 +ATOM 513 C CA . ASN A 1 66 ? 22.142 8.122 22.315 1.00 8.97 0 A 1 +ATOM 514 C C . ASN A 1 66 ? 23.332 8.882 22.895 1.00 9.97 0 A 1 +ATOM 515 O O . ASN A 1 66 ? 24.466 8.685 22.462 1.00 11.07 0 A 1 +ATOM 516 C CB . ASN A 1 66 ? 21.634 8.801 21.040 1.00 6.70 0 A 1 +ATOM 517 C CG . ASN A 1 66 ? 20.720 7.895 20.233 1.00 8.05 0 A 1 +ATOM 518 N ND2 . ASN A 1 66 ? 19.475 8.304 20.046 1.00 12.10 0 A 1 +ATOM 519 O OD1 . ASN A 1 66 ? 21.144 6.837 19.781 1.00 11.29 0 A 1 +ATOM 520 N N . THR A 1 67 ? 23.081 9.762 23.862 1.00 9.80 0 A 1 +ATOM 521 C CA . THR A 1 67 ? 24.164 10.497 24.511 1.00 13.59 0 A 1 +ATOM 522 C C . THR A 1 67 ? 24.961 9.464 25.313 1.00 9.73 0 A 1 +ATOM 523 O O . THR A 1 67 ? 26.188 9.489 25.338 1.00 11.77 0 A 1 +ATOM 524 C CB . THR A 1 67 ? 23.628 11.586 25.453 1.00 11.02 0 A 1 +ATOM 525 C CG2 . THR A 1 67 ? 24.737 12.150 26.313 1.00 9.87 0 A 1 +ATOM 526 O OG1 . THR A 1 67 ? 23.059 12.638 24.674 1.00 13.78 0 A 1 +ATOM 527 N N . ILE A 1 68 ? 24.243 8.537 25.943 1.00 9.52 0 A 1 +ATOM 528 C CA . ILE A 1 68 ? 24.864 7.475 26.724 1.00 11.43 0 A 1 +ATOM 529 C C . ILE A 1 68 ? 25.715 6.613 25.791 1.00 11.36 0 A 1 +ATOM 530 O O . ILE A 1 68 ? 26.866 6.311 26.106 1.00 9.50 0 A 1 +ATOM 531 C CB . ILE A 1 68 ? 23.793 6.616 27.436 1.00 10.14 0 A 1 +ATOM 532 C CG1 . ILE A 1 68 ? 22.972 7.505 28.374 1.00 5.09 0 A 1 +ATOM 533 C CG2 . ILE A 1 68 ? 24.449 5.488 28.217 1.00 7.03 0 A 1 +ATOM 534 C CD1 . ILE A 1 68 ? 21.649 6.904 28.789 1.00 10.92 0 A 1 +ATOM 535 N N . LEU A 1 69 ? 25.160 6.244 24.636 1.00 11.16 0 A 1 +ATOM 536 C CA . LEU A 1 69 ? 25.890 5.439 23.655 1.00 7.77 0 A 1 +ATOM 537 C C . LEU A 1 69 ? 27.159 6.151 23.193 1.00 8.23 0 A 1 +ATOM 538 O O . LEU A 1 69 ? 28.242 5.555 23.182 1.00 11.43 0 A 1 +ATOM 539 C CB . LEU A 1 69 ? 25.009 5.117 22.444 1.00 8.98 0 A 1 +ATOM 540 C CG . LEU A 1 69 ? 24.017 3.967 22.607 1.00 9.64 0 A 1 +ATOM 541 C CD1 . LEU A 1 69 ? 23.139 3.859 21.380 1.00 9.27 0 A 1 +ATOM 542 C CD2 . LEU A 1 69 ? 24.776 2.669 22.825 1.00 10.12 0 A 1 +ATOM 543 N N . ARG A 1 70 ? 27.034 7.436 22.857 1.00 13.36 0 A 1 +ATOM 544 C CA . ARG A 1 70 ? 28.183 8.215 22.397 1.00 10.47 0 A 1 +ATOM 545 C C . ARG A 1 70 ? 29.235 8.388 23.479 1.00 13.22 0 A 1 +ATOM 546 O O . ARG A 1 70 ? 30.434 8.364 23.196 1.00 13.44 0 A 1 +ATOM 547 C CB . ARG A 1 70 ? 27.743 9.572 21.846 1.00 14.96 0 A 1 +ATOM 548 C CG . ARG A 1 70 ? 27.052 9.453 20.506 1.00 13.07 0 A 1 +ATOM 549 C CD . ARG A 1 70 ? 26.774 10.795 19.854 1.00 10.66 0 A 1 +ATOM 550 N NE . ARG A 1 70 ? 26.441 10.597 18.447 1.00 10.95 0 A 1 +ATOM 551 C CZ . ARG A 1 70 ? 25.205 10.484 17.969 1.00 10.38 0 A 1 +ATOM 552 N NH1 . ARG A 1 70 ? 24.159 10.568 18.784 1.00 10.06 0 A 1 +ATOM 553 N NH2 . ARG A 1 70 ? 25.016 10.217 16.680 1.00 14.85 0 A 1 +ATOM 554 N N . HIS A 1 71 ? 28.782 8.527 24.721 1.00 10.90 0 A 1 +ATOM 555 C CA . HIS A 1 71 ? 29.689 8.682 25.850 1.00 15.78 0 A 1 +ATOM 556 C C . HIS A 1 71 ? 30.530 7.419 26.031 1.00 14.91 0 A 1 +ATOM 557 O O . HIS A 1 71 ? 31.750 7.487 26.199 1.00 20.99 0 A 1 +ATOM 558 C CB . HIS A 1 71 ? 28.904 8.974 27.125 1.00 14.34 0 A 1 +ATOM 559 C CG . HIS A 1 71 ? 29.754 8.985 28.353 1.00 16.78 0 A 1 +ATOM 560 C CD2 . HIS A 1 71 ? 29.774 8.167 29.431 1.00 14.12 0 A 1 +ATOM 561 N ND1 . HIS A 1 71 ? 30.773 9.893 28.542 1.00 15.41 0 A 1 +ATOM 562 C CE1 . HIS A 1 71 ? 31.389 9.633 29.681 1.00 11.19 0 A 1 +ATOM 563 N NE2 . HIS A 1 71 ? 30.800 8.591 30.241 1.00 8.94 0 A 1 +ATOM 564 N N . LEU A 1 72 ? 29.861 6.269 26.017 1.00 19.30 0 A 1 +ATOM 565 C CA . LEU A 1 72 ? 30.529 4.976 26.151 1.00 16.59 0 A 1 +ATOM 566 C C . LEU A 1 72 ? 31.444 4.720 24.950 1.00 18.30 0 A 1 +ATOM 567 O O . LEU A 1 72 ? 32.557 4.215 25.109 1.00 22.34 0 A 1 +ATOM 568 C CB . LEU A 1 72 ? 29.487 3.858 26.274 1.00 12.31 0 A 1 +ATOM 569 C CG . LEU A 1 72 ? 29.079 3.354 27.668 1.00 15.77 0 A 1 +ATOM 570 C CD1 . LEU A 1 72 ? 29.458 4.336 28.757 1.00 13.70 0 A 1 +ATOM 571 C CD2 . LEU A 1 72 ? 27.586 3.061 27.692 1.00 5.95 0 A 1 +ATOM 572 N N . GLY A 1 73 ? 30.986 5.098 23.757 1.00 18.73 0 A 1 +ATOM 573 C CA . GLY A 1 73 ? 31.785 4.909 22.557 1.00 18.87 0 A 1 +ATOM 574 C C . GLY A 1 73 ? 33.052 5.737 22.606 1.00 19.72 0 A 1 +ATOM 575 O O . GLY A 1 73 ? 34.115 5.308 22.169 1.00 18.68 0 A 1 +ATOM 576 N N . ARG A 1 74 ? 32.946 6.915 23.200 1.00 24.00 0 A 1 +ATOM 577 C CA . ARG A 1 74 ? 34.077 7.821 23.322 1.00 25.02 0 A 1 +ATOM 578 C C . ARG A 1 74 ? 35.078 7.358 24.384 1.00 22.13 0 A 1 +ATOM 579 O O . ARG A 1 74 ? 36.281 7.313 24.130 1.00 21.61 0 A 1 +ATOM 580 C CB . ARG A 1 74 ? 33.551 9.217 23.650 1.00 24.98 0 A 1 +ATOM 581 C CG . ARG A 1 74 ? 34.495 10.364 23.359 1.00 27.04 0 A 1 +ATOM 582 C CD . ARG A 1 74 ? 33.688 11.611 22.990 1.00 21.06 0 A 1 +ATOM 583 N NE . ARG A 1 74 ? 32.500 11.712 23.828 1.00 19.49 0 A 1 +ATOM 584 C CZ . ARG A 1 74 ? 31.296 12.067 23.399 1.00 15.40 0 A 1 +ATOM 585 N NH1 . ARG A 1 74 ? 31.099 12.383 22.127 1.00 13.72 0 A 1 +ATOM 586 N NH2 . ARG A 1 74 ? 30.266 12.022 24.234 1.00 15.09 0 A 1 +ATOM 587 N N . THR A 1 75 ? 34.578 6.983 25.560 1.00 15.87 0 A 1 +ATOM 588 C CA . THR A 1 75 ? 35.441 6.542 26.658 1.00 21.99 0 A 1 +ATOM 589 C C . THR A 1 75 ? 36.019 5.137 26.492 1.00 21.93 0 A 1 +ATOM 590 O O . THR A 1 75 ? 37.124 4.858 26.957 1.00 24.68 0 A 1 +ATOM 591 C CB . THR A 1 75 ? 34.714 6.627 28.022 1.00 25.11 0 A 1 +ATOM 592 C CG2 . THR A 1 75 ? 34.388 8.079 28.374 1.00 18.38 0 A 1 +ATOM 593 O OG1 . THR A 1 75 ? 33.496 5.877 27.965 1.00 27.41 0 A 1 +ATOM 594 N N . LEU A 1 76 ? 35.275 4.258 25.826 1.00 20.86 0 A 1 +ATOM 595 C CA . LEU A 1 76 ? 35.714 2.880 25.608 1.00 15.43 0 A 1 +ATOM 596 C C . LEU A 1 76 ? 36.415 2.637 24.270 1.00 17.86 0 A 1 +ATOM 597 O O . LEU A 1 76 ? 36.886 1.531 24.008 1.00 20.78 0 A 1 +ATOM 598 C CB . LEU A 1 76 ? 34.533 1.921 25.761 1.00 15.27 0 A 1 +ATOM 599 C CG . LEU A 1 76 ? 34.257 1.322 27.141 1.00 12.36 0 A 1 +ATOM 600 C CD1 . LEU A 1 76 ? 34.700 2.254 28.253 1.00 13.14 0 A 1 +ATOM 601 C CD2 . LEU A 1 76 ? 32.779 0.986 27.255 1.00 10.91 0 A 1 +ATOM 602 N N . GLY A 1 77 ? 36.477 3.663 23.426 1.00 20.45 0 A 1 +ATOM 603 C CA . GLY A 1 77 ? 37.136 3.529 22.136 1.00 20.48 0 A 1 +ATOM 604 C C . GLY A 1 77 ? 36.347 2.799 21.057 1.00 19.41 0 A 1 +ATOM 605 O O . GLY A 1 77 ? 36.911 2.017 20.290 1.00 17.05 0 A 1 +ATOM 606 N N . LEU A 1 78 ? 35.043 3.050 21.004 1.00 16.20 0 A 1 +ATOM 607 C CA . LEU A 1 78 ? 34.157 2.437 20.017 1.00 12.76 0 A 1 +ATOM 608 C C . LEU A 1 78 ? 33.549 3.548 19.152 1.00 14.52 0 A 1 +ATOM 609 O O . LEU A 1 78 ? 32.349 3.542 18.875 1.00 10.30 0 A 1 +ATOM 610 C CB . LEU A 1 78 ? 33.033 1.677 20.731 1.00 12.99 0 A 1 +ATOM 611 C CG . LEU A 1 78 ? 33.385 0.763 21.909 1.00 13.16 0 A 1 +ATOM 612 C CD1 . LEU A 1 78 ? 32.114 0.167 22.472 1.00 14.45 0 A 1 +ATOM 613 C CD2 . LEU A 1 78 ? 34.336 -0.335 21.467 1.00 12.31 0 A 1 +ATOM 614 N N . TYR A 1 79 ? 34.393 4.469 18.693 1.00 18.32 0 A 1 +ATOM 615 C CA . TYR A 1 79 ? 33.939 5.612 17.899 1.00 19.08 0 A 1 +ATOM 616 C C . TYR A 1 79 ? 34.769 5.849 16.627 1.00 22.41 0 A 1 +ATOM 617 O O . TYR A 1 79 ? 34.968 6.994 16.214 1.00 24.01 0 A 1 +ATOM 618 C CB . TYR A 1 79 ? 33.999 6.862 18.789 1.00 12.16 0 A 1 +ATOM 619 C CG . TYR A 1 79 ? 32.852 7.830 18.629 1.00 11.30 0 A 1 +ATOM 620 C CD1 . TYR A 1 79 ? 32.340 8.145 17.368 1.00 10.27 0 A 1 +ATOM 621 C CD2 . TYR A 1 79 ? 32.280 8.442 19.746 1.00 10.23 0 A 1 +ATOM 622 C CE1 . TYR A 1 79 ? 31.290 9.044 17.220 1.00 11.01 0 A 1 +ATOM 623 C CE2 . TYR A 1 79 ? 31.227 9.342 19.613 1.00 6.64 0 A 1 +ATOM 624 C CZ . TYR A 1 79 ? 30.737 9.636 18.348 1.00 10.33 0 A 1 +ATOM 625 O OH . TYR A 1 79 ? 29.678 10.501 18.215 1.00 15.00 0 A 1 +ATOM 626 N N . GLY A 1 80 ? 35.227 4.770 15.998 1.00 20.27 0 A 1 +ATOM 627 C CA . GLY A 1 80 ? 36.034 4.887 14.792 1.00 16.38 0 A 1 +ATOM 628 C C . GLY A 1 80 ? 37.505 5.119 15.093 1.00 19.16 0 A 1 +ATOM 629 O O . GLY A 1 80 ? 37.863 5.471 16.216 1.00 18.11 0 A 1 +ATOM 630 N N . LYS A 1 81 ? 38.362 4.948 14.091 1.00 23.65 0 A 1 +ATOM 631 C CA . LYS A 1 81 ? 39.796 5.138 14.284 1.00 27.37 0 A 1 +ATOM 632 C C . LYS A 1 81 ? 40.212 6.598 14.102 1.00 24.21 0 A 1 +ATOM 633 O O . LYS A 1 81 ? 41.284 7.003 14.552 1.00 26.19 0 A 1 +ATOM 634 C CB . LYS A 1 81 ? 40.596 4.233 13.342 1.00 26.88 0 A 1 +ATOM 635 C CG . LYS A 1 81 ? 40.530 4.637 11.884 1.00 32.77 0 A 1 +ATOM 636 C CD . LYS A 1 81 ? 41.422 3.755 11.026 1.00 34.84 0 A 1 +ATOM 637 C CE . LYS A 1 81 ? 41.602 4.351 9.636 1.00 39.59 0 A 1 +ATOM 638 N NZ . LYS A 1 81 ? 40.302 4.551 8.932 1.00 53.83 0 A 1 +ATOM 639 N N . ASP A 1 82 ? 39.365 7.385 13.440 1.00 27.53 0 A 1 +ATOM 640 C CA . ASP A 1 82 ? 39.653 8.801 13.217 1.00 26.59 0 A 1 +ATOM 641 C C . ASP A 1 82 ? 38.375 9.620 13.058 1.00 23.41 0 A 1 +ATOM 642 O O . ASP A 1 82 ? 37.273 9.077 13.162 1.00 27.26 0 A 1 +ATOM 643 C CB . ASP A 1 82 ? 40.592 8.991 12.014 1.00 26.30 0 A 1 +ATOM 644 C CG . ASP A 1 82 ? 40.061 8.359 10.727 1.00 23.89 0 A 1 +ATOM 645 O OD1 . ASP A 1 82 ? 38.830 8.305 10.521 1.00 28.62 0 A 1 +ATOM 646 O OD2 . ASP A 1 82 ? 40.893 7.928 9.899 1.00 31.21 0 A 1 +ATOM 647 N N . GLN A 1 83 ? 38.520 10.916 12.787 1.00 18.01 0 A 1 +ATOM 648 C CA . GLN A 1 83 ? 37.363 11.800 12.634 1.00 23.83 0 A 1 +ATOM 649 C C . GLN A 1 83 ? 36.439 11.419 11.493 1.00 22.28 0 A 1 +ATOM 650 O O . GLN A 1 83 ? 35.218 11.519 11.621 1.00 22.68 0 A 1 +ATOM 651 C CB . GLN A 1 83 ? 37.800 13.254 12.480 1.00 26.61 0 A 1 +ATOM 652 C CG . GLN A 1 83 ? 38.391 13.863 13.739 1.00 27.18 0 A 1 +ATOM 653 C CD . GLN A 1 83 ? 38.797 15.314 13.549 1.00 33.40 0 A 1 +ATOM 654 N NE2 . GLN A 1 83 ? 39.201 15.667 12.330 1.00 37.74 0 A 1 +ATOM 655 O OE1 . GLN A 1 83 ? 38.739 16.112 14.488 1.00 27.84 0 A 1 +ATOM 656 N N . GLN A 1 84 ? 37.017 10.983 10.379 1.00 22.31 0 A 1 +ATOM 657 C CA . GLN A 1 84 ? 36.213 10.583 9.231 1.00 27.04 0 A 1 +ATOM 658 C C . GLN A 1 84 ? 35.293 9.425 9.614 1.00 23.86 0 A 1 +ATOM 659 O O . GLN A 1 84 ? 34.089 9.466 9.338 1.00 21.39 0 A 1 +ATOM 660 C CB . GLN A 1 84 ? 37.102 10.188 8.048 1.00 31.00 0 A 1 +ATOM 661 C CG . GLN A 1 84 ? 36.307 9.704 6.836 1.00 40.65 0 A 1 +ATOM 662 C CD . GLN A 1 84 ? 37.162 9.503 5.597 1.00 48.02 0 A 1 +ATOM 663 N NE2 . GLN A 1 84 ? 36.938 8.392 4.895 1.00 52.71 0 A 1 +ATOM 664 O OE1 . GLN A 1 84 ? 37.992 10.348 5.256 1.00 55.36 0 A 1 +ATOM 665 N N . GLU A 1 85 ? 35.860 8.413 10.273 1.00 20.99 0 A 1 +ATOM 666 C CA . GLU A 1 85 ? 35.083 7.255 10.709 1.00 18.63 0 A 1 +ATOM 667 C C . GLU A 1 85 ? 34.068 7.668 11.764 1.00 16.42 0 A 1 +ATOM 668 O O . GLU A 1 85 ? 32.944 7.169 11.765 1.00 16.75 0 A 1 +ATOM 669 C CB . GLU A 1 85 ? 35.984 6.148 11.258 1.00 20.21 0 A 1 +ATOM 670 C CG . GLU A 1 85 ? 36.903 5.533 10.221 1.00 21.72 0 A 1 +ATOM 671 C CD . GLU A 1 85 ? 37.334 4.115 10.564 1.00 23.07 0 A 1 +ATOM 672 O OE1 . GLU A 1 85 ? 37.249 3.715 11.744 1.00 19.01 0 A 1 +ATOM 673 O OE2 . GLU A 1 85 ? 37.768 3.393 9.641 1.00 26.83 0 A 1 +ATOM 674 N N . ALA A 1 86 ? 34.461 8.591 12.644 1.00 15.18 0 A 1 +ATOM 675 C CA . ALA A 1 86 ? 33.578 9.090 13.699 1.00 15.43 0 A 1 +ATOM 676 C C . ALA A 1 86 ? 32.331 9.705 13.078 1.00 12.49 0 A 1 +ATOM 677 O O . ALA A 1 86 ? 31.220 9.502 13.569 1.00 13.15 0 A 1 +ATOM 678 C CB . ALA A 1 86 ? 34.301 10.118 14.548 1.00 12.72 0 A 1 +ATOM 679 N N . ALA A 1 87 ? 32.518 10.435 11.981 1.00 11.17 0 A 1 +ATOM 680 C CA . ALA A 1 87 ? 31.406 11.066 11.279 1.00 14.12 0 A 1 +ATOM 681 C C . ALA A 1 87 ? 30.487 10.006 10.668 1.00 12.81 0 A 1 +ATOM 682 O O . ALA A 1 87 ? 29.262 10.136 10.708 1.00 13.07 0 A 1 +ATOM 683 C CB . ALA A 1 87 ? 31.933 12.003 10.194 1.00 11.65 0 A 1 +ATOM 684 N N . LEU A 1 88 ? 31.083 8.946 10.124 1.00 12.83 0 A 1 +ATOM 685 C CA . LEU A 1 88 ? 30.315 7.861 9.512 1.00 11.51 0 A 1 +ATOM 686 C C . LEU A 1 88 ? 29.525 7.075 10.557 1.00 13.02 0 A 1 +ATOM 687 O O . LEU A 1 88 ? 28.387 6.674 10.309 1.00 14.79 0 A 1 +ATOM 688 C CB . LEU A 1 88 ? 31.240 6.935 8.717 1.00 10.68 0 A 1 +ATOM 689 C CG . LEU A 1 88 ? 32.029 7.627 7.600 1.00 11.18 0 A 1 +ATOM 690 C CD1 . LEU A 1 88 ? 32.885 6.613 6.851 1.00 10.41 0 A 1 +ATOM 691 C CD2 . LEU A 1 88 ? 31.075 8.333 6.647 1.00 6.76 0 A 1 +ATOM 692 N N . VAL A 1 89 ? 30.125 6.884 11.732 1.00 11.20 0 A 1 +ATOM 693 C CA . VAL A 1 89 ? 29.477 6.172 12.837 1.00 10.83 0 A 1 +ATOM 694 C C . VAL A 1 89 ? 28.221 6.938 13.260 1.00 14.49 0 A 1 +ATOM 695 O O . VAL A 1 89 ? 27.168 6.338 13.491 1.00 13.06 0 A 1 +ATOM 696 C CB . VAL A 1 89 ? 30.437 6.024 14.048 1.00 14.37 0 A 1 +ATOM 697 C CG1 . VAL A 1 89 ? 29.708 5.422 15.235 1.00 10.83 0 A 1 +ATOM 698 C CG2 . VAL A 1 89 ? 31.630 5.154 13.674 1.00 7.93 0 A 1 +ATOM 699 N N . ASP A 1 90 ? 28.345 8.264 13.344 1.00 17.78 0 A 1 +ATOM 700 C CA . ASP A 1 90 ? 27.232 9.141 13.709 1.00 10.64 0 A 1 +ATOM 701 C C . ASP A 1 90 ? 26.126 9.050 12.666 1.00 9.62 0 A 1 +ATOM 702 O O . ASP A 1 90 ? 24.947 8.987 13.006 1.00 16.15 0 A 1 +ATOM 703 C CB . ASP A 1 90 ? 27.698 10.603 13.812 1.00 9.99 0 A 1 +ATOM 704 C CG . ASP A 1 90 ? 28.359 10.920 15.140 1.00 5.61 0 A 1 +ATOM 705 O OD1 . ASP A 1 90 ? 28.036 10.253 16.145 1.00 13.44 0 A 1 +ATOM 706 O OD2 . ASP A 1 90 ? 29.183 11.856 15.204 1.00 12.55 0 A 1 +ATOM 707 N N . MET A 1 91 ? 26.515 9.064 11.393 1.00 7.49 0 A 1 +ATOM 708 C CA . MET A 1 91 ? 25.559 8.986 10.294 1.00 11.58 0 A 1 +ATOM 709 C C . MET A 1 91 ? 24.767 7.687 10.358 1.00 9.33 0 A 1 +ATOM 710 O O . MET A 1 91 ? 23.562 7.672 10.086 1.00 12.38 0 A 1 +ATOM 711 C CB . MET A 1 91 ? 26.285 9.112 8.953 1.00 9.78 0 A 1 +ATOM 712 C CG . MET A 1 91 ? 25.365 9.077 7.742 1.00 16.04 0 A 1 +ATOM 713 S SD . MET A 1 91 ? 26.261 9.399 6.211 1.00 19.88 0 A 1 +ATOM 714 C CE . MET A 1 91 ? 27.389 7.993 6.160 1.00 29.19 0 A 1 +ATOM 715 N N . VAL A 1 92 ? 25.448 6.598 10.717 1.00 14.63 0 A 1 +ATOM 716 C CA . VAL A 1 92 ? 24.790 5.297 10.848 1.00 13.36 0 A 1 +ATOM 717 C C . VAL A 1 92 ? 23.827 5.340 12.037 1.00 11.03 0 A 1 +ATOM 718 O O . VAL A 1 92 ? 22.655 4.994 11.902 1.00 12.92 0 A 1 +ATOM 719 C CB . VAL A 1 92 ? 25.821 4.145 11.051 1.00 12.08 0 A 1 +ATOM 720 C CG1 . VAL A 1 92 ? 25.096 2.839 11.354 1.00 10.69 0 A 1 +ATOM 721 C CG2 . VAL A 1 92 ? 26.686 3.980 9.802 1.00 7.76 0 A 1 +ATOM 722 N N . ASN A 1 93 ? 24.307 5.821 13.183 1.00 12.31 0 A 1 +ATOM 723 C CA . ASN A 1 93 ? 23.479 5.900 14.382 1.00 10.00 0 A 1 +ATOM 724 C C . ASN A 1 93 ? 22.250 6.778 14.203 1.00 9.72 0 A 1 +ATOM 725 O O . ASN A 1 93 ? 21.165 6.419 14.666 1.00 15.02 0 A 1 +ATOM 726 C CB . ASN A 1 93 ? 24.288 6.373 15.595 1.00 12.15 0 A 1 +ATOM 727 C CG . ASN A 1 93 ? 23.665 5.908 16.906 1.00 14.08 0 A 1 +ATOM 728 N ND2 . ASN A 1 93 ? 23.154 6.841 17.703 1.00 10.51 0 A 1 +ATOM 729 O OD1 . ASN A 1 93 ? 23.627 4.712 17.178 1.00 13.32 0 A 1 +ATOM 730 N N . ASP A 1 94 ? 22.415 7.919 13.535 1.00 9.31 0 A 1 +ATOM 731 C CA . ASP A 1 94 ? 21.289 8.824 13.290 1.00 10.13 0 A 1 +ATOM 732 C C . ASP A 1 94 ? 20.267 8.122 12.411 1.00 7.72 0 A 1 +ATOM 733 O O . ASP A 1 94 ? 19.061 8.323 12.564 1.00 11.87 0 A 1 +ATOM 734 C CB . ASP A 1 94 ? 21.763 10.119 12.621 1.00 11.93 0 A 1 +ATOM 735 C CG . ASP A 1 94 ? 22.494 11.048 13.581 1.00 17.36 0 A 1 +ATOM 736 O OD1 . ASP A 1 94 ? 22.683 10.691 14.766 1.00 22.49 0 A 1 +ATOM 737 O OD2 . ASP A 1 94 ? 22.859 12.161 13.148 1.00 16.78 0 A 1 +ATOM 738 N N . GLY A 1 95 ? 20.761 7.293 11.493 1.00 11.46 0 A 1 +ATOM 739 C CA . GLY A 1 95 ? 19.880 6.538 10.619 1.00 11.96 0 A 1 +ATOM 740 C C . GLY A 1 95 ? 19.112 5.525 11.445 1.00 13.87 0 A 1 +ATOM 741 O O . GLY A 1 95 ? 17.902 5.384 11.295 1.00 10.04 0 A 1 +ATOM 742 N N . VAL A 1 96 ? 19.814 4.835 12.341 1.00 13.88 0 A 1 +ATOM 743 C CA . VAL A 1 96 ? 19.182 3.849 13.216 1.00 11.98 0 A 1 +ATOM 744 C C . VAL A 1 96 ? 18.107 4.531 14.072 1.00 10.88 0 A 1 +ATOM 745 O O . VAL A 1 96 ? 16.984 4.041 14.176 1.00 14.86 0 A 1 +ATOM 746 C CB . VAL A 1 96 ? 20.220 3.177 14.144 1.00 15.73 0 A 1 +ATOM 747 C CG1 . VAL A 1 96 ? 19.522 2.296 15.178 1.00 13.37 0 A 1 +ATOM 748 C CG2 . VAL A 1 96 ? 21.207 2.364 13.320 1.00 13.54 0 A 1 +ATOM 749 N N . GLU A 1 97 ? 18.453 5.686 14.638 1.00 11.49 0 A 1 +ATOM 750 C CA . GLU A 1 97 ? 17.539 6.455 15.481 1.00 13.61 0 A 1 +ATOM 751 C C . GLU A 1 97 ? 16.254 6.851 14.748 1.00 13.41 0 A 1 +ATOM 752 O O . GLU A 1 97 ? 15.164 6.790 15.326 1.00 18.49 0 A 1 +ATOM 753 C CB . GLU A 1 97 ? 18.257 7.692 16.042 1.00 11.32 0 A 1 +ATOM 754 C CG . GLU A 1 97 ? 17.372 8.657 16.838 1.00 10.63 0 A 1 +ATOM 755 C CD . GLU A 1 97 ? 16.645 8.001 18.012 1.00 14.42 0 A 1 +ATOM 756 O OE1 . GLU A 1 97 ? 17.222 7.119 18.680 1.00 11.55 0 A 1 +ATOM 757 O OE2 . GLU A 1 97 ? 15.485 8.377 18.267 1.00 17.87 0 A 1 +ATOM 758 N N . ASP A 1 98 ? 16.381 7.249 13.481 1.00 14.10 0 A 1 +ATOM 759 C CA . ASP A 1 98 ? 15.216 7.630 12.677 1.00 13.15 0 A 1 +ATOM 760 C C . ASP A 1 98 ? 14.257 6.455 12.514 1.00 9.79 0 A 1 +ATOM 761 O O . ASP A 1 98 ? 13.046 6.599 12.700 1.00 11.28 0 A 1 +ATOM 762 C CB . ASP A 1 98 ? 15.640 8.139 11.293 1.00 15.20 0 A 1 +ATOM 763 C CG . ASP A 1 98 ? 16.111 9.590 11.309 1.00 12.17 0 A 1 +ATOM 764 O OD1 . ASP A 1 98 ? 15.894 10.294 12.320 1.00 12.79 0 A 1 +ATOM 765 O OD2 . ASP A 1 98 ? 16.676 10.041 10.291 1.00 23.99 0 A 1 +ATOM 766 N N . LEU A 1 99 ? 14.799 5.290 12.166 1.00 12.65 0 A 1 +ATOM 767 C CA . LEU A 1 99 ? 13.960 4.108 12.000 1.00 15.16 0 A 1 +ATOM 768 C C . LEU A 1 99 ? 13.397 3.643 13.346 1.00 13.92 0 A 1 +ATOM 769 O O . LEU A 1 99 ? 12.263 3.173 13.420 1.00 15.05 0 A 1 +ATOM 770 C CB . LEU A 1 99 ? 14.729 2.982 11.302 1.00 13.89 0 A 1 +ATOM 771 C CG . LEU A 1 99 ? 13.939 1.700 11.014 1.00 15.66 0 A 1 +ATOM 772 C CD1 . LEU A 1 99 ? 12.600 2.021 10.370 1.00 12.79 0 A 1 +ATOM 773 C CD2 . LEU A 1 99 ? 14.759 0.792 10.119 1.00 14.29 0 A 1 +ATOM 774 N N . ARG A 1 100 ? 14.170 3.824 14.415 1.00 13.87 0 A 1 +ATOM 775 C CA . ARG A 1 100 ? 13.717 3.435 15.748 1.00 14.16 0 A 1 +ATOM 776 C C . ARG A 1 100 ? 12.487 4.256 16.153 1.00 12.03 0 A 1 +ATOM 777 O O . ARG A 1 100 ? 11.551 3.710 16.735 1.00 21.59 0 A 1 +ATOM 778 C CB . ARG A 1 100 ? 14.836 3.593 16.786 1.00 10.62 0 A 1 +ATOM 779 C CG . ARG A 1 100 ? 14.465 3.035 18.156 1.00 10.57 0 A 1 +ATOM 780 C CD . ARG A 1 100 ? 15.599 3.165 19.162 1.00 3.47 0 A 1 +ATOM 781 N NE . ARG A 1 100 ? 16.748 2.327 18.828 1.00 12.32 0 A 1 +ATOM 782 C CZ . ARG A 1 100 ? 16.822 1.019 19.057 1.00 10.19 0 A 1 +ATOM 783 N NH1 . ARG A 1 100 ? 15.807 0.373 19.621 1.00 7.16 0 A 1 +ATOM 784 N NH2 . ARG A 1 100 ? 17.923 0.354 18.732 1.00 13.11 0 A 1 +ATOM 785 N N . CYS A 1 101 ? 12.479 5.550 15.820 1.00 12.84 0 A 1 +ATOM 786 C CA . CYS A 1 101 ? 11.343 6.417 16.136 1.00 12.88 0 A 1 +ATOM 787 C C . CYS A 1 101 ? 10.089 5.953 15.421 1.00 11.94 0 A 1 +ATOM 788 O O . CYS A 1 101 ? 8.996 5.993 15.985 1.00 20.94 0 A 1 +ATOM 789 C CB . CYS A 1 101 ? 11.628 7.871 15.765 1.00 15.28 0 A 1 +ATOM 790 S SG . CYS A 1 101 ? 12.723 8.699 16.921 1.00 23.55 0 A 1 +ATOM 791 N N . LYS A 1 102 ? 10.247 5.518 14.175 1.00 12.98 0 A 1 +ATOM 792 C CA . LYS A 1 102 ? 9.113 5.028 13.400 1.00 11.80 0 A 1 +ATOM 793 C C . LYS A 1 102 ? 8.593 3.749 14.042 1.00 12.31 0 A 1 +ATOM 794 O O . LYS A 1 102 ? 7.386 3.549 14.152 1.00 16.55 0 A 1 +ATOM 795 C CB . LYS A 1 102 ? 9.528 4.764 11.956 1.00 17.38 0 A 1 +ATOM 796 C CG . LYS A 1 102 ? 9.926 6.019 11.212 1.00 27.18 0 A 1 +ATOM 797 C CD . LYS A 1 102 ? 10.355 5.710 9.800 1.00 28.92 0 A 1 +ATOM 798 C CE . LYS A 1 102 ? 10.687 6.985 9.057 1.00 33.11 0 A 1 +ATOM 799 N NZ . LYS A 1 102 ? 11.177 6.693 7.686 1.00 36.21 0 A 1 +ATOM 800 N N . TYR A 1 103 ? 9.520 2.900 14.485 1.00 9.24 0 A 1 +ATOM 801 C CA . TYR A 1 103 ? 9.180 1.640 15.140 1.00 14.65 0 A 1 +ATOM 802 C C . TYR A 1 103 ? 8.402 1.933 16.422 1.00 16.69 0 A 1 +ATOM 803 O O . TYR A 1 103 ? 7.340 1.360 16.665 1.00 22.64 0 A 1 +ATOM 804 C CB . TYR A 1 103 ? 10.458 0.853 15.466 1.00 13.23 0 A 1 +ATOM 805 C CG . TYR A 1 103 ? 10.249 -0.354 16.367 1.00 12.67 0 A 1 +ATOM 806 C CD1 . TYR A 1 103 ? 9.838 -1.583 15.845 1.00 11.48 0 A 1 +ATOM 807 C CD2 . TYR A 1 103 ? 10.462 -0.265 17.745 1.00 12.26 0 A 1 +ATOM 808 C CE1 . TYR A 1 103 ? 9.645 -2.694 16.681 1.00 17.09 0 A 1 +ATOM 809 C CE2 . TYR A 1 103 ? 10.273 -1.363 18.585 1.00 18.49 0 A 1 +ATOM 810 C CZ . TYR A 1 103 ? 9.865 -2.573 18.050 1.00 18.16 0 A 1 +ATOM 811 O OH . TYR A 1 103 ? 9.681 -3.656 18.882 1.00 11.85 0 A 1 +ATOM 812 N N . ILE A 1 104 ? 8.935 2.846 17.228 1.00 17.02 0 A 1 +ATOM 813 C CA . ILE A 1 104 ? 8.312 3.237 18.486 1.00 11.67 0 A 1 +ATOM 814 C C . ILE A 1 104 ? 6.922 3.823 18.249 1.00 15.35 0 A 1 +ATOM 815 O O . ILE A 1 104 ? 5.977 3.516 18.973 1.00 18.65 0 A 1 +ATOM 816 C CB . ILE A 1 104 ? 9.210 4.239 19.250 1.00 13.49 0 A 1 +ATOM 817 C CG1 . ILE A 1 104 ? 10.470 3.521 19.736 1.00 15.14 0 A 1 +ATOM 818 C CG2 . ILE A 1 104 ? 8.458 4.863 20.423 1.00 11.97 0 A 1 +ATOM 819 C CD1 . ILE A 1 104 ? 11.541 4.448 20.257 1.00 5.69 0 A 1 +ATOM 820 N N . SER A 1 105 ? 6.796 4.638 17.208 1.00 18.14 0 A 1 +ATOM 821 C CA . SER A 1 105 ? 5.517 5.246 16.876 1.00 19.80 0 A 1 +ATOM 822 C C . SER A 1 105 ? 4.501 4.156 16.555 1.00 18.91 0 A 1 +ATOM 823 O O . SER A 1 105 ? 3.354 4.239 16.973 1.00 21.94 0 A 1 +ATOM 824 C CB . SER A 1 105 ? 5.665 6.190 15.684 1.00 19.96 0 A 1 +ATOM 825 O OG . SER A 1 105 ? 4.436 6.833 15.401 1.00 22.52 0 A 1 +ATOM 826 N N . LEU A 1 106 ? 4.929 3.128 15.827 1.00 15.98 0 A 1 +ATOM 827 C CA . LEU A 1 106 ? 4.042 2.021 15.472 1.00 19.05 0 A 1 +ATOM 828 C C . LEU A 1 106 ? 3.581 1.263 16.716 1.00 17.47 0 A 1 +ATOM 829 O O . LEU A 1 106 ? 2.384 1.084 16.937 1.00 19.49 0 A 1 +ATOM 830 C CB . LEU A 1 106 ? 4.752 1.049 14.524 1.00 16.89 0 A 1 +ATOM 831 C CG . LEU A 1 106 ? 4.014 -0.266 14.255 1.00 24.30 0 A 1 +ATOM 832 C CD1 . LEU A 1 106 ? 2.744 -0.010 13.457 1.00 12.38 0 A 1 +ATOM 833 C CD2 . LEU A 1 106 ? 4.920 -1.225 13.515 1.00 22.23 0 A 1 +ATOM 834 N N . ILE A 1 107 ? 4.549 0.831 17.521 1.00 15.72 0 A 1 +ATOM 835 C CA . ILE A 1 107 ? 4.295 0.075 18.745 1.00 23.09 0 A 1 +ATOM 836 C C . ILE A 1 107 ? 3.351 0.758 19.738 1.00 22.75 0 A 1 +ATOM 837 O O . ILE A 1 107 ? 2.390 0.149 20.212 1.00 25.35 0 A 1 +ATOM 838 C CB . ILE A 1 107 ? 5.625 -0.253 19.465 1.00 25.26 0 A 1 +ATOM 839 C CG1 . ILE A 1 107 ? 6.497 -1.148 18.582 1.00 19.76 0 A 1 +ATOM 840 C CG2 . ILE A 1 107 ? 5.364 -0.923 20.802 1.00 25.52 0 A 1 +ATOM 841 C CD1 . ILE A 1 107 ? 5.864 -2.479 18.228 1.00 19.78 0 A 1 +ATOM 842 N N . TYR A 1 108 ? 3.608 2.031 20.018 1.00 21.63 0 A 1 +ATOM 843 C CA . TYR A 1 108 ? 2.807 2.785 20.975 1.00 22.71 0 A 1 +ATOM 844 C C . TYR A 1 108 ? 1.609 3.571 20.439 1.00 23.36 0 A 1 +ATOM 845 O O . TYR A 1 108 ? 0.682 3.856 21.189 1.00 24.40 0 A 1 +ATOM 846 C CB . TYR A 1 108 ? 3.722 3.715 21.775 1.00 21.01 0 A 1 +ATOM 847 C CG . TYR A 1 108 ? 4.720 2.979 22.647 1.00 18.74 0 A 1 +ATOM 848 C CD1 . TYR A 1 108 ? 4.365 2.515 23.915 1.00 20.42 0 A 1 +ATOM 849 C CD2 . TYR A 1 108 ? 6.025 2.749 22.208 1.00 21.62 0 A 1 +ATOM 850 C CE1 . TYR A 1 108 ? 5.295 1.837 24.731 1.00 17.64 0 A 1 +ATOM 851 C CE2 . TYR A 1 108 ? 6.956 2.076 23.008 1.00 16.73 0 A 1 +ATOM 852 C CZ . TYR A 1 108 ? 6.587 1.623 24.267 1.00 21.39 0 A 1 +ATOM 853 O OH . TYR A 1 108 ? 7.520 0.967 25.041 1.00 24.74 0 A 1 +ATOM 854 N N . THR A 1 109 ? 1.610 3.901 19.151 1.00 28.26 0 A 1 +ATOM 855 C CA . THR A 1 109 ? 0.519 4.686 18.568 1.00 31.34 0 A 1 +ATOM 856 C C . THR A 1 109 ? -0.558 3.908 17.809 1.00 33.54 0 A 1 +ATOM 857 O O . THR A 1 109 ? -1.747 4.110 18.057 1.00 30.65 0 A 1 +ATOM 858 C CB . THR A 1 109 ? 1.076 5.835 17.695 1.00 28.77 0 A 1 +ATOM 859 C CG2 . THR A 1 109 ? -0.035 6.575 16.966 1.00 37.77 0 A 1 +ATOM 860 O OG1 . THR A 1 109 ? 1.792 6.750 18.533 1.00 30.80 0 A 1 +ATOM 861 N N . ASN A 1 110 ? -0.163 3.025 16.896 1.00 31.20 0 A 1 +ATOM 862 C CA . ASN A 1 110 ? -1.148 2.257 16.138 1.00 33.49 0 A 1 +ATOM 863 C C . ASN A 1 110 ? -0.610 0.938 15.594 1.00 31.43 0 A 1 +ATOM 864 O O . ASN A 1 110 ? -0.471 0.748 14.385 1.00 31.15 0 A 1 +ATOM 865 C CB . ASN A 1 110 ? -1.760 3.113 15.016 1.00 37.66 0 A 1 +ATOM 866 C CG . ASN A 1 110 ? -0.760 3.483 13.932 1.00 44.60 0 A 1 +ATOM 867 N ND2 . ASN A 1 110 ? 0.509 3.639 14.305 1.00 45.88 0 A 1 +ATOM 868 O OD1 . ASN A 1 110 ? -1.130 3.620 12.768 1.00 46.35 0 A 1 +ATOM 869 N N . TYR A 1 111 ? -0.326 0.020 16.510 1.00 29.11 0 A 1 +ATOM 870 C CA . TYR A 1 111 ? 0.192 -1.292 16.159 1.00 28.88 0 A 1 +ATOM 871 C C . TYR A 1 111 ? -0.764 -2.088 15.271 1.00 29.41 0 A 1 +ATOM 872 O O . TYR A 1 111 ? -0.399 -2.504 14.174 1.00 29.16 0 A 1 +ATOM 873 C CB . TYR A 1 111 ? 0.503 -2.084 17.431 1.00 25.82 0 A 1 +ATOM 874 C CG . TYR A 1 111 ? 1.084 -3.453 17.167 1.00 27.76 0 A 1 +ATOM 875 C CD1 . TYR A 1 111 ? 2.460 -3.631 17.026 1.00 25.95 0 A 1 +ATOM 876 C CD2 . TYR A 1 111 ? 0.257 -4.569 17.042 1.00 25.97 0 A 1 +ATOM 877 C CE1 . TYR A 1 111 ? 2.999 -4.888 16.764 1.00 32.35 0 A 1 +ATOM 878 C CE2 . TYR A 1 111 ? 0.784 -5.827 16.779 1.00 21.03 0 A 1 +ATOM 879 C CZ . TYR A 1 111 ? 2.156 -5.980 16.640 1.00 29.01 0 A 1 +ATOM 880 O OH . TYR A 1 111 ? 2.677 -7.224 16.363 1.00 26.57 0 A 1 +ATOM 881 N N . GLU A 1 112 ? -1.989 -2.281 15.752 1.00 34.78 0 A 1 +ATOM 882 C CA . GLU A 1 112 ? -3.007 -3.045 15.032 1.00 39.41 0 A 1 +ATOM 883 C C . GLU A 1 112 ? -3.254 -2.534 13.627 1.00 37.93 0 A 1 +ATOM 884 O O . GLU A 1 112 ? -3.144 -3.283 12.656 1.00 34.97 0 A 1 +ATOM 885 C CB . GLU A 1 112 ? -4.331 -3.045 15.803 1.00 46.25 0 A 1 +ATOM 886 C CG . GLU A 1 112 ? -4.324 -3.861 17.094 1.00 60.16 0 A 1 +ATOM 887 C CD . GLU A 1 112 ? -3.417 -3.281 18.172 1.00 68.30 0 A 1 +ATOM 888 O OE1 . GLU A 1 112 ? -3.449 -2.047 18.386 1.00 69.80 0 A 1 +ATOM 889 O OE2 . GLU A 1 112 ? -2.683 -4.065 18.813 1.00 71.81 0 A 1 +ATOM 890 N N . ALA A 1 113 ? -3.564 -1.247 13.528 1.00 38.97 0 A 1 +ATOM 891 C CA . ALA A 1 113 ? -3.849 -0.616 12.250 1.00 38.90 0 A 1 +ATOM 892 C C . ALA A 1 113 ? -2.657 -0.486 11.305 1.00 35.73 0 A 1 +ATOM 893 O O . ALA A 1 113 ? -2.724 -0.928 10.161 1.00 34.40 0 A 1 +ATOM 894 C CB . ALA A 1 113 ? -4.485 0.746 12.478 1.00 35.69 0 A 1 +ATOM 895 N N . GLY A 1 114 ? -1.558 0.080 11.794 1.00 33.14 0 A 1 +ATOM 896 C CA . GLY A 1 114 ? -0.394 0.294 10.949 1.00 32.59 0 A 1 +ATOM 897 C C . GLY A 1 114 ? 0.639 -0.795 10.719 1.00 31.61 0 A 1 +ATOM 898 O O . GLY A 1 114 ? 1.560 -0.588 9.924 1.00 34.95 0 A 1 +ATOM 899 N N . LYS A 1 115 ? 0.492 -1.949 11.366 1.00 24.40 0 A 1 +ATOM 900 C CA . LYS A 1 115 ? 1.468 -3.033 11.221 1.00 26.77 0 A 1 +ATOM 901 C C . LYS A 1 115 ? 1.736 -3.496 9.788 1.00 29.74 0 A 1 +ATOM 902 O O . LYS A 1 115 ? 2.882 -3.750 9.422 1.00 35.37 0 A 1 +ATOM 903 C CB . LYS A 1 115 ? 1.077 -4.233 12.091 1.00 28.02 0 A 1 +ATOM 904 C CG . LYS A 1 115 ? 2.133 -5.332 12.151 1.00 23.76 0 A 1 +ATOM 905 C CD . LYS A 1 115 ? 1.627 -6.547 12.921 1.00 22.74 0 A 1 +ATOM 906 C CE . LYS A 1 115 ? 2.602 -7.713 12.839 1.00 23.64 0 A 1 +ATOM 907 N NZ . LYS A 1 115 ? 3.915 -7.402 13.469 1.00 33.60 0 A 1 +ATOM 908 N N . ASP A 1 116 ? 0.689 -3.584 8.975 1.00 34.44 0 A 1 +ATOM 909 C CA . ASP A 1 116 ? 0.837 -4.035 7.594 1.00 33.22 0 A 1 +ATOM 910 C C . ASP A 1 116 ? 1.599 -3.073 6.686 1.00 25.88 0 A 1 +ATOM 911 O O . ASP A 1 116 ? 2.517 -3.485 5.975 1.00 23.26 0 A 1 +ATOM 912 C CB . ASP A 1 116 ? -0.528 -4.380 6.997 1.00 45.11 0 A 1 +ATOM 913 C CG . ASP A 1 116 ? -1.194 -5.549 7.707 1.00 51.52 0 A 1 +ATOM 914 O OD1 . ASP A 1 116 ? -0.476 -6.491 8.114 1.00 54.29 0 A 1 +ATOM 915 O OD2 . ASP A 1 116 ? -2.436 -5.529 7.847 1.00 58.73 0 A 1 +ATOM 916 N N . ASP A 1 117 ? 1.230 -1.796 6.721 1.00 29.35 0 A 1 +ATOM 917 C CA . ASP A 1 117 ? 1.897 -0.788 5.903 1.00 26.52 0 A 1 +ATOM 918 C C . ASP A 1 117 ? 3.364 -0.656 6.285 1.00 22.67 0 A 1 +ATOM 919 O O . ASP A 1 117 ? 4.231 -0.529 5.417 1.00 21.20 0 A 1 +ATOM 920 C CB . ASP A 1 117 ? 1.202 0.567 6.045 1.00 30.38 0 A 1 +ATOM 921 C CG . ASP A 1 117 ? -0.170 0.596 5.394 1.00 36.23 0 A 1 +ATOM 922 O OD1 . ASP A 1 117 ? -0.525 -0.364 4.671 1.00 35.08 0 A 1 +ATOM 923 O OD2 . ASP A 1 117 ? -0.900 1.586 5.612 1.00 40.82 0 A 1 +ATOM 924 N N . TYR A 1 118 ? 3.631 -0.700 7.589 1.00 19.95 0 A 1 +ATOM 925 C CA . TYR A 1 118 ? 4.987 -0.593 8.117 1.00 16.19 0 A 1 +ATOM 926 C C . TYR A 1 118 ? 5.884 -1.718 7.598 1.00 21.17 0 A 1 +ATOM 927 O O . TYR A 1 118 ? 7.026 -1.475 7.198 1.00 20.90 0 A 1 +ATOM 928 C CB . TYR A 1 118 ? 4.959 -0.608 9.653 1.00 14.13 0 A 1 +ATOM 929 C CG . TYR A 1 118 ? 6.302 -0.352 10.304 1.00 16.19 0 A 1 +ATOM 930 C CD1 . TYR A 1 118 ? 7.217 -1.384 10.486 1.00 16.18 0 A 1 +ATOM 931 C CD2 . TYR A 1 118 ? 6.659 0.928 10.732 1.00 15.74 0 A 1 +ATOM 932 C CE1 . TYR A 1 118 ? 8.453 -1.151 11.075 1.00 17.42 0 A 1 +ATOM 933 C CE2 . TYR A 1 118 ? 7.891 1.172 11.324 1.00 14.62 0 A 1 +ATOM 934 C CZ . TYR A 1 118 ? 8.785 0.128 11.492 1.00 17.45 0 A 1 +ATOM 935 O OH . TYR A 1 118 ? 10.010 0.352 12.079 1.00 16.68 0 A 1 +ATOM 936 N N . VAL A 1 119 ? 5.376 -2.948 7.625 1.00 26.68 0 A 1 +ATOM 937 C CA . VAL A 1 119 ? 6.144 -4.098 7.151 1.00 27.41 0 A 1 +ATOM 938 C C . VAL A 1 119 ? 6.403 -4.022 5.637 1.00 27.37 0 A 1 +ATOM 939 O O . VAL A 1 119 ? 7.460 -4.445 5.164 1.00 25.57 0 A 1 +ATOM 940 C CB . VAL A 1 119 ? 5.451 -5.433 7.529 1.00 28.54 0 A 1 +ATOM 941 C CG1 . VAL A 1 119 ? 6.251 -6.620 7.013 1.00 27.92 0 A 1 +ATOM 942 C CG2 . VAL A 1 119 ? 5.314 -5.532 9.037 1.00 22.22 0 A 1 +ATOM 943 N N . LYS A 1 120 ? 5.452 -3.460 4.890 1.00 30.82 0 A 1 +ATOM 944 C CA . LYS A 1 120 ? 5.590 -3.309 3.439 1.00 33.93 0 A 1 +ATOM 945 C C . LYS A 1 120 ? 6.695 -2.307 3.108 1.00 29.52 0 A 1 +ATOM 946 O O . LYS A 1 120 ? 7.451 -2.494 2.155 1.00 27.60 0 A 1 +ATOM 947 C CB . LYS A 1 120 ? 4.279 -2.819 2.816 1.00 40.91 0 A 1 +ATOM 948 C CG . LYS A 1 120 ? 3.118 -3.784 2.943 1.00 52.35 0 A 1 +ATOM 949 C CD . LYS A 1 120 ? 1.806 -3.093 2.601 1.00 62.16 0 A 1 +ATOM 950 C CE . LYS A 1 120 ? 0.608 -3.969 2.947 1.00 64.49 0 A 1 +ATOM 951 N NZ . LYS A 1 120 ? -0.678 -3.221 2.833 1.00 71.12 0 A 1 +ATOM 952 N N . ALA A 1 121 ? 6.782 -1.247 3.910 1.00 26.57 0 A 1 +ATOM 953 C CA . ALA A 1 121 ? 7.782 -0.198 3.716 1.00 24.50 0 A 1 +ATOM 954 C C . ALA A 1 121 ? 9.154 -0.551 4.280 1.00 20.48 0 A 1 +ATOM 955 O O . ALA A 1 121 ? 10.148 0.101 3.956 1.00 25.32 0 A 1 +ATOM 956 C CB . ALA A 1 121 ? 7.291 1.108 4.326 1.00 21.25 0 A 1 +ATOM 957 N N . LEU A 1 122 ? 9.210 -1.591 5.107 1.00 20.79 0 A 1 +ATOM 958 C CA . LEU A 1 122 ? 10.460 -2.020 5.727 1.00 20.56 0 A 1 +ATOM 959 C C . LEU A 1 122 ? 11.676 -2.186 4.810 1.00 18.57 0 A 1 +ATOM 960 O O . LEU A 1 122 ? 12.755 -1.693 5.130 1.00 26.35 0 A 1 +ATOM 961 C CB . LEU A 1 122 ? 10.252 -3.306 6.526 1.00 18.11 0 A 1 +ATOM 962 C CG . LEU A 1 122 ? 10.454 -3.225 8.038 1.00 21.41 0 A 1 +ATOM 963 C CD1 . LEU A 1 122 ? 10.569 -4.640 8.584 1.00 19.12 0 A 1 +ATOM 964 C CD2 . LEU A 1 122 ? 11.711 -2.429 8.373 1.00 10.04 0 A 1 +ATOM 965 N N . PRO A 1 123 ? 11.527 -2.896 3.672 1.00 18.53 0 A 1 +ATOM 966 C CA . PRO A 1 123 ? 12.660 -3.094 2.756 1.00 17.86 0 A 1 +ATOM 967 C C . PRO A 1 123 ? 13.358 -1.797 2.365 1.00 19.01 0 A 1 +ATOM 968 O O . PRO A 1 123 ? 14.588 -1.730 2.334 1.00 19.65 0 A 1 +ATOM 969 C CB . PRO A 1 123 ? 12.003 -3.767 1.553 1.00 19.69 0 A 1 +ATOM 970 C CG . PRO A 1 123 ? 10.920 -4.574 2.181 1.00 13.62 0 A 1 +ATOM 971 C CD . PRO A 1 123 ? 10.332 -3.600 3.176 1.00 16.52 0 A 1 +ATOM 972 N N . GLY A 1 124 ? 12.568 -0.762 2.095 1.00 16.44 0 A 1 +ATOM 973 C CA . GLY A 1 124 ? 13.130 0.523 1.720 1.00 19.77 0 A 1 +ATOM 974 C C . GLY A 1 124 ? 13.902 1.143 2.865 1.00 20.03 0 A 1 +ATOM 975 O O . GLY A 1 124 ? 14.898 1.830 2.645 1.00 22.98 0 A 1 +ATOM 976 N N . GLN A 1 125 ? 13.438 0.890 4.087 1.00 17.30 0 A 1 +ATOM 977 C CA . GLN A 1 125 ? 14.077 1.403 5.297 1.00 16.24 0 A 1 +ATOM 978 C C . GLN A 1 125 ? 15.373 0.672 5.632 1.00 15.26 0 A 1 +ATOM 979 O O . GLN A 1 125 ? 16.293 1.260 6.191 1.00 19.15 0 A 1 +ATOM 980 C CB . GLN A 1 125 ? 13.127 1.286 6.491 1.00 16.01 0 A 1 +ATOM 981 C CG . GLN A 1 125 ? 11.857 2.102 6.356 1.00 17.50 0 A 1 +ATOM 982 C CD . GLN A 1 125 ? 12.147 3.573 6.155 1.00 24.85 0 A 1 +ATOM 983 N NE2 . GLN A 1 125 ? 11.607 4.148 5.093 1.00 25.77 0 A 1 +ATOM 984 O OE1 . GLN A 1 125 ? 12.847 4.187 6.960 1.00 28.68 0 A 1 +ATOM 985 N N . LEU A 1 126 ? 15.438 -0.613 5.295 1.00 16.33 0 A 1 +ATOM 986 C CA . LEU A 1 126 ? 16.622 -1.423 5.577 1.00 17.45 0 A 1 +ATOM 987 C C . LEU A 1 126 ? 17.730 -1.341 4.530 1.00 18.14 0 A 1 +ATOM 988 O O . LEU A 1 126 ? 18.905 -1.537 4.860 1.00 25.46 0 A 1 +ATOM 989 C CB . LEU A 1 126 ? 16.220 -2.884 5.801 1.00 16.46 0 A 1 +ATOM 990 C CG . LEU A 1 126 ? 15.309 -3.130 7.005 1.00 20.15 0 A 1 +ATOM 991 C CD1 . LEU A 1 126 ? 14.871 -4.588 7.049 1.00 17.45 0 A 1 +ATOM 992 C CD2 . LEU A 1 126 ? 16.036 -2.735 8.285 1.00 14.62 0 A 1 +ATOM 993 N N . LYS A 1 127 ? 17.365 -1.054 3.278 1.00 17.93 0 A 1 +ATOM 994 C CA . LYS A 1 127 ? 18.350 -0.955 2.193 1.00 18.57 0 A 1 +ATOM 995 C C . LYS A 1 127 ? 19.580 -0.097 2.486 1.00 20.23 0 A 1 +ATOM 996 O O . LYS A 1 127 ? 20.699 -0.511 2.187 1.00 21.96 0 A 1 +ATOM 997 C CB . LYS A 1 127 ? 17.693 -0.504 0.886 1.00 25.83 0 A 1 +ATOM 998 C CG . LYS A 1 127 ? 17.200 -1.656 0.044 1.00 37.54 0 A 1 +ATOM 999 C CD . LYS A 1 127 ? 16.323 -1.193 -1.104 1.00 44.78 0 A 1 +ATOM 1000 C CE . LYS A 1 127 ? 15.743 -2.395 -1.838 1.00 50.61 0 A 1 +ATOM 1001 N NZ . LYS A 1 127 ? 14.710 -2.002 -2.834 1.00 54.16 0 A 1 +ATOM 1002 N N . PRO A 1 128 ? 19.397 1.102 3.079 1.00 21.41 0 A 1 +ATOM 1003 C CA . PRO A 1 128 ? 20.549 1.958 3.381 1.00 17.21 0 A 1 +ATOM 1004 C C . PRO A 1 128 ? 21.665 1.260 4.167 1.00 14.30 0 A 1 +ATOM 1005 O O . PRO A 1 128 ? 22.847 1.484 3.901 1.00 17.45 0 A 1 +ATOM 1006 C CB . PRO A 1 128 ? 19.920 3.089 4.189 1.00 17.18 0 A 1 +ATOM 1007 C CG . PRO A 1 128 ? 18.589 3.241 3.542 1.00 17.64 0 A 1 +ATOM 1008 C CD . PRO A 1 128 ? 18.137 1.804 3.401 1.00 16.09 0 A 1 +ATOM 1009 N N . PHE A 1 129 ? 21.293 0.394 5.109 1.00 13.97 0 A 1 +ATOM 1010 C CA . PHE A 1 129 ? 22.279 -0.313 5.927 1.00 15.11 0 A 1 +ATOM 1011 C C . PHE A 1 129 ? 22.978 -1.442 5.168 1.00 15.41 0 A 1 +ATOM 1012 O O . PHE A 1 129 ? 24.153 -1.729 5.413 1.00 16.71 0 A 1 +ATOM 1013 C CB . PHE A 1 129 ? 21.631 -0.804 7.226 1.00 14.45 0 A 1 +ATOM 1014 C CG . PHE A 1 129 ? 20.973 0.300 8.017 1.00 18.90 0 A 1 +ATOM 1015 C CD1 . PHE A 1 129 ? 21.740 1.275 8.652 1.00 19.40 0 A 1 +ATOM 1016 C CD2 . PHE A 1 129 ? 19.587 0.396 8.084 1.00 19.14 0 A 1 +ATOM 1017 C CE1 . PHE A 1 129 ? 21.133 2.330 9.337 1.00 18.63 0 A 1 +ATOM 1018 C CE2 . PHE A 1 129 ? 18.972 1.448 8.767 1.00 18.95 0 A 1 +ATOM 1019 C CZ . PHE A 1 129 ? 19.748 2.415 9.393 1.00 7.59 0 A 1 +ATOM 1020 N N . GLU A 1 130 ? 22.251 -2.068 4.243 1.00 17.31 0 A 1 +ATOM 1021 C CA . GLU A 1 130 ? 22.800 -3.126 3.398 1.00 20.93 0 A 1 +ATOM 1022 C C . GLU A 1 130 ? 23.848 -2.466 2.493 1.00 20.50 0 A 1 +ATOM 1023 O O . GLU A 1 130 ? 24.926 -3.018 2.255 1.00 20.68 0 A 1 +ATOM 1024 C CB . GLU A 1 130 ? 21.680 -3.743 2.545 1.00 18.29 0 A 1 +ATOM 1025 C CG . GLU A 1 130 ? 22.118 -4.851 1.575 1.00 21.84 0 A 1 +ATOM 1026 C CD . GLU A 1 130 ? 22.396 -6.192 2.248 1.00 22.93 0 A 1 +ATOM 1027 O OE1 . GLU A 1 130 ? 22.104 -6.336 3.453 1.00 26.14 0 A 1 +ATOM 1028 O OE2 . GLU A 1 130 ? 22.898 -7.111 1.564 1.00 23.95 0 A 1 +ATOM 1029 N N . THR A 1 131 ? 23.527 -1.256 2.031 1.00 19.13 0 A 1 +ATOM 1030 C CA . THR A 1 131 ? 24.407 -0.468 1.167 1.00 18.96 0 A 1 +ATOM 1031 C C . THR A 1 131 ? 25.690 -0.079 1.897 1.00 16.89 0 A 1 +ATOM 1032 O O . THR A 1 131 ? 26.787 -0.218 1.359 1.00 24.80 0 A 1 +ATOM 1033 C CB . THR A 1 131 ? 23.704 0.819 0.699 1.00 22.34 0 A 1 +ATOM 1034 C CG2 . THR A 1 131 ? 24.588 1.592 -0.269 1.00 24.70 0 A 1 +ATOM 1035 O OG1 . THR A 1 131 ? 22.470 0.483 0.053 1.00 21.08 0 A 1 +ATOM 1036 N N . LEU A 1 132 ? 25.540 0.438 3.115 1.00 15.24 0 A 1 +ATOM 1037 C CA . LEU A 1 132 ? 26.688 0.833 3.930 1.00 18.82 0 A 1 +ATOM 1038 C C . LEU A 1 132 ? 27.625 -0.360 4.110 1.00 23.43 0 A 1 +ATOM 1039 O O . LEU A 1 132 ? 28.840 -0.242 3.954 1.00 26.11 0 A 1 +ATOM 1040 C CB . LEU A 1 132 ? 26.218 1.335 5.299 1.00 16.26 0 A 1 +ATOM 1041 C CG . LEU A 1 132 ? 25.560 2.719 5.320 1.00 17.65 0 A 1 +ATOM 1042 C CD1 . LEU A 1 132 ? 24.784 2.930 6.608 1.00 11.78 0 A 1 +ATOM 1043 C CD2 . LEU A 1 132 ? 26.627 3.786 5.148 1.00 18.72 0 A 1 +ATOM 1044 N N . LEU A 1 133 ? 27.034 -1.515 4.398 1.00 22.15 0 A 1 +ATOM 1045 C CA . LEU A 1 133 ? 27.771 -2.755 4.595 1.00 25.34 0 A 1 +ATOM 1046 C C . LEU A 1 133 ? 28.514 -3.154 3.316 1.00 23.05 0 A 1 +ATOM 1047 O O . LEU A 1 133 ? 29.706 -3.472 3.360 1.00 27.63 0 A 1 +ATOM 1048 C CB . LEU A 1 133 ? 26.793 -3.856 5.021 1.00 21.69 0 A 1 +ATOM 1049 C CG . LEU A 1 133 ? 27.066 -4.681 6.283 1.00 23.31 0 A 1 +ATOM 1050 C CD1 . LEU A 1 133 ? 27.859 -3.901 7.312 1.00 17.10 0 A 1 +ATOM 1051 C CD2 . LEU A 1 133 ? 25.739 -5.146 6.861 1.00 14.40 0 A 1 +ATOM 1052 N N . SER A 1 134 ? 27.832 -3.081 2.172 1.00 20.70 0 A 1 +ATOM 1053 C CA . SER A 1 134 ? 28.447 -3.445 0.893 1.00 20.46 0 A 1 +ATOM 1054 C C . SER A 1 134 ? 29.633 -2.564 0.505 1.00 20.87 0 A 1 +ATOM 1055 O O . SER A 1 134 ? 30.515 -3.003 -0.237 1.00 21.25 0 A 1 +ATOM 1056 C CB . SER A 1 134 ? 27.407 -3.459 -0.236 1.00 19.60 0 A 1 +ATOM 1057 O OG . SER A 1 134 ? 26.940 -2.158 -0.544 1.00 31.77 0 A 1 +ATOM 1058 N N . GLN A 1 135 ? 29.666 -1.334 1.013 1.00 24.07 0 A 1 +ATOM 1059 C CA . GLN A 1 135 ? 30.760 -0.412 0.713 1.00 23.11 0 A 1 +ATOM 1060 C C . GLN A 1 135 ? 31.928 -0.516 1.688 1.00 21.26 0 A 1 +ATOM 1061 O O . GLN A 1 135 ? 32.943 0.159 1.517 1.00 24.65 0 A 1 +ATOM 1062 C CB . GLN A 1 135 ? 30.241 1.019 0.685 1.00 22.43 0 A 1 +ATOM 1063 C CG . GLN A 1 135 ? 29.215 1.262 -0.393 1.00 25.74 0 A 1 +ATOM 1064 C CD . GLN A 1 135 ? 28.499 2.581 -0.212 1.00 34.49 0 A 1 +ATOM 1065 N NE2 . GLN A 1 135 ? 27.625 2.907 -1.154 1.00 31.85 0 A 1 +ATOM 1066 O OE1 . GLN A 1 135 ? 28.712 3.293 0.775 1.00 35.27 0 A 1 +ATOM 1067 N N . ASN A 1 136 ? 31.780 -1.335 2.724 1.00 26.24 0 A 1 +ATOM 1068 C CA . ASN A 1 136 ? 32.832 -1.515 3.709 1.00 23.91 0 A 1 +ATOM 1069 C C . ASN A 1 136 ? 33.346 -2.952 3.680 1.00 23.19 0 A 1 +ATOM 1070 O O . ASN A 1 136 ? 32.749 -3.841 4.281 1.00 20.02 0 A 1 +ATOM 1071 C CB . ASN A 1 136 ? 32.329 -1.150 5.113 1.00 23.14 0 A 1 +ATOM 1072 C CG . ASN A 1 136 ? 33.410 -1.294 6.176 1.00 18.43 0 A 1 +ATOM 1073 N ND2 . ASN A 1 136 ? 33.001 -1.620 7.393 1.00 18.88 0 A 1 +ATOM 1074 O OD1 . ASN A 1 136 ? 34.596 -1.124 5.895 1.00 22.95 0 A 1 +ATOM 1075 N N . GLN A 1 137 ? 34.448 -3.170 2.956 1.00 30.48 0 A 1 +ATOM 1076 C CA . GLN A 1 137 ? 35.068 -4.498 2.828 1.00 35.38 0 A 1 +ATOM 1077 C C . GLN A 1 137 ? 34.067 -5.603 2.494 1.00 34.39 0 A 1 +ATOM 1078 O O . GLN A 1 137 ? 34.145 -6.708 3.036 1.00 35.83 0 A 1 +ATOM 1079 C CB . GLN A 1 137 ? 35.820 -4.858 4.109 1.00 40.71 0 A 1 +ATOM 1080 C CG . GLN A 1 137 ? 37.003 -3.968 4.421 1.00 49.70 0 A 1 +ATOM 1081 C CD . GLN A 1 137 ? 37.478 -4.127 5.853 1.00 56.20 0 A 1 +ATOM 1082 N NE2 . GLN A 1 137 ? 37.096 -3.193 6.717 1.00 63.16 0 A 1 +ATOM 1083 O OE1 . GLN A 1 137 ? 38.189 -5.084 6.172 1.00 59.11 0 A 1 +ATOM 1084 N N . GLY A 1 138 ? 33.109 -5.283 1.628 1.00 32.06 0 A 1 +ATOM 1085 C CA . GLY A 1 138 ? 32.106 -6.255 1.223 1.00 31.36 0 A 1 +ATOM 1086 C C . GLY A 1 138 ? 31.214 -6.793 2.328 1.00 27.95 0 A 1 +ATOM 1087 O O . GLY A 1 138 ? 30.678 -7.895 2.206 1.00 32.30 0 A 1 +ATOM 1088 N N . GLY A 1 139 ? 31.047 -6.021 3.399 1.00 27.76 0 A 1 +ATOM 1089 C CA . GLY A 1 139 ? 30.209 -6.447 4.509 1.00 29.62 0 A 1 +ATOM 1090 C C . GLY A 1 139 ? 30.785 -7.588 5.326 1.00 30.31 0 A 1 +ATOM 1091 O O . GLY A 1 139 ? 30.050 -8.282 6.024 1.00 32.63 0 A 1 +ATOM 1092 N N . LYS A 1 140 ? 32.102 -7.761 5.266 1.00 31.25 0 A 1 +ATOM 1093 C CA . LYS A 1 140 ? 32.778 -8.833 5.990 1.00 28.63 0 A 1 +ATOM 1094 C C . LYS A 1 140 ? 33.083 -8.498 7.449 1.00 25.10 0 A 1 +ATOM 1095 O O . LYS A 1 140 ? 33.253 -9.404 8.263 1.00 23.68 0 A 1 +ATOM 1096 C CB . LYS A 1 140 ? 34.074 -9.228 5.266 1.00 38.49 0 A 1 +ATOM 1097 C CG . LYS A 1 140 ? 33.871 -9.767 3.849 1.00 45.35 0 A 1 +ATOM 1098 C CD . LYS A 1 140 ? 33.284 -11.175 3.843 1.00 54.87 0 A 1 +ATOM 1099 C CE . LYS A 1 140 ? 34.358 -12.227 4.096 1.00 61.70 0 A 1 +ATOM 1100 N NZ . LYS A 1 140 ? 33.805 -13.614 4.138 1.00 63.75 0 A 1 +ATOM 1101 N N . THR A 1 141 ? 33.139 -7.207 7.778 1.00 22.30 0 A 1 +ATOM 1102 C CA . THR A 1 141 ? 33.442 -6.773 9.144 1.00 22.12 0 A 1 +ATOM 1103 C C . THR A 1 141 ? 32.293 -6.063 9.875 1.00 24.90 0 A 1 +ATOM 1104 O O . THR A 1 141 ? 31.255 -6.671 10.135 1.00 20.04 0 A 1 +ATOM 1105 C CB . THR A 1 141 ? 34.715 -5.896 9.192 1.00 20.16 0 A 1 +ATOM 1106 C CG2 . THR A 1 141 ? 35.956 -6.726 8.901 1.00 19.92 0 A 1 +ATOM 1107 O OG1 . THR A 1 141 ? 34.603 -4.835 8.235 1.00 24.19 0 A 1 +ATOM 1108 N N . PHE A 1 142 ? 32.481 -4.782 10.200 1.00 24.06 0 A 1 +ATOM 1109 C CA . PHE A 1 142 ? 31.481 -4.007 10.924 1.00 14.11 0 A 1 +ATOM 1110 C C . PHE A 1 142 ? 30.814 -2.954 10.043 1.00 13.22 0 A 1 +ATOM 1111 O O . PHE A 1 142 ? 31.162 -2.817 8.872 1.00 18.13 0 A 1 +ATOM 1112 C CB . PHE A 1 142 ? 32.131 -3.388 12.158 1.00 8.66 0 A 1 +ATOM 1113 C CG . PHE A 1 142 ? 32.807 -4.402 13.044 1.00 11.23 0 A 1 +ATOM 1114 C CD1 . PHE A 1 142 ? 32.062 -5.181 13.928 1.00 15.29 0 A 1 +ATOM 1115 C CD2 . PHE A 1 142 ? 34.182 -4.604 12.971 1.00 9.81 0 A 1 +ATOM 1116 C CE1 . PHE A 1 142 ? 32.677 -6.150 14.720 1.00 16.60 0 A 1 +ATOM 1117 C CE2 . PHE A 1 142 ? 34.807 -5.570 13.757 1.00 11.20 0 A 1 +ATOM 1118 C CZ . PHE A 1 142 ? 34.053 -6.343 14.634 1.00 13.77 0 A 1 +ATOM 1119 N N . ILE A 1 143 ? 29.845 -2.224 10.590 1.00 11.57 0 A 1 +ATOM 1120 C CA . ILE A 1 143 ? 29.126 -1.227 9.802 1.00 14.47 0 A 1 +ATOM 1121 C C . ILE A 1 143 ? 30.020 -0.086 9.302 1.00 13.79 0 A 1 +ATOM 1122 O O . ILE A 1 143 ? 29.805 0.444 8.211 1.00 17.62 0 A 1 +ATOM 1123 C CB . ILE A 1 143 ? 27.875 -0.687 10.560 1.00 13.56 0 A 1 +ATOM 1124 C CG1 . ILE A 1 143 ? 26.946 0.047 9.593 1.00 10.06 0 A 1 +ATOM 1125 C CG2 . ILE A 1 143 ? 28.281 0.224 11.719 1.00 8.18 0 A 1 +ATOM 1126 C CD1 . ILE A 1 143 ? 26.301 -0.847 8.546 1.00 15.67 0 A 1 +ATOM 1127 N N . VAL A 1 144 ? 31.032 0.266 10.093 1.00 15.47 0 A 1 +ATOM 1128 C CA . VAL A 1 144 ? 31.981 1.325 9.743 1.00 14.78 0 A 1 +ATOM 1129 C C . VAL A 1 144 ? 33.383 0.903 10.171 1.00 15.71 0 A 1 +ATOM 1130 O O . VAL A 1 144 ? 33.608 0.590 11.341 1.00 18.76 0 A 1 +ATOM 1131 C CB . VAL A 1 144 ? 31.644 2.669 10.449 1.00 16.32 0 A 1 +ATOM 1132 C CG1 . VAL A 1 144 ? 32.764 3.681 10.217 1.00 15.35 0 A 1 +ATOM 1133 C CG2 . VAL A 1 144 ? 30.329 3.228 9.931 1.00 11.41 0 A 1 +ATOM 1134 N N . GLY A 1 145 ? 34.316 0.884 9.223 1.00 15.97 0 A 1 +ATOM 1135 C CA . GLY A 1 145 ? 35.686 0.504 9.534 1.00 14.24 0 A 1 +ATOM 1136 C C . GLY A 1 145 ? 35.887 -0.978 9.801 1.00 16.29 0 A 1 +ATOM 1137 O O . GLY A 1 145 ? 35.046 -1.803 9.438 1.00 18.65 0 A 1 +ATOM 1138 N N . ASP A 1 146 ? 36.995 -1.316 10.456 1.00 22.54 0 A 1 +ATOM 1139 C CA . ASP A 1 146 ? 37.312 -2.709 10.761 1.00 30.65 0 A 1 +ATOM 1140 C C . ASP A 1 146 ? 37.306 -3.027 12.257 1.00 29.65 0 A 1 +ATOM 1141 O O . ASP A 1 146 ? 37.840 -4.051 12.687 1.00 28.68 0 A 1 +ATOM 1142 C CB . ASP A 1 146 ? 38.657 -3.102 10.132 1.00 37.31 0 A 1 +ATOM 1143 C CG . ASP A 1 146 ? 39.828 -2.277 10.659 1.00 43.55 0 A 1 +ATOM 1144 O OD1 . ASP A 1 146 ? 39.608 -1.262 11.360 1.00 45.41 0 A 1 +ATOM 1145 O OD2 . ASP A 1 146 ? 40.984 -2.651 10.357 1.00 49.65 0 A 1 +ATOM 1146 N N . GLN A 1 147 ? 36.707 -2.136 13.042 1.00 28.56 0 A 1 +ATOM 1147 C CA . GLN A 1 147 ? 36.601 -2.303 14.488 1.00 25.18 0 A 1 +ATOM 1148 C C . GLN A 1 147 ? 35.160 -1.956 14.863 1.00 20.70 0 A 1 +ATOM 1149 O O . GLN A 1 147 ? 34.537 -1.092 14.236 1.00 11.29 0 A 1 +ATOM 1150 C CB . GLN A 1 147 ? 37.592 -1.388 15.220 1.00 29.51 0 A 1 +ATOM 1151 C CG . GLN A 1 147 ? 37.435 0.091 14.880 1.00 46.36 0 A 1 +ATOM 1152 C CD . GLN A 1 147 ? 38.307 0.998 15.731 1.00 50.66 0 A 1 +ATOM 1153 N NE2 . GLN A 1 147 ? 37.796 1.390 16.897 1.00 48.79 0 A 1 +ATOM 1154 O OE1 . GLN A 1 147 ? 39.418 1.354 15.340 1.00 49.66 0 A 1 +ATOM 1155 N N . ILE A 1 148 ? 34.617 -2.658 15.855 1.00 22.06 0 A 1 +ATOM 1156 C CA . ILE A 1 148 ? 33.241 -2.435 16.296 1.00 21.02 0 A 1 +ATOM 1157 C C . ILE A 1 148 ? 33.045 -1.043 16.919 1.00 19.78 0 A 1 +ATOM 1158 O O . ILE A 1 148 ? 33.955 -0.495 17.541 1.00 20.36 0 A 1 +ATOM 1159 C CB . ILE A 1 148 ? 32.792 -3.554 17.276 1.00 21.27 0 A 1 +ATOM 1160 C CG1 . ILE A 1 148 ? 31.267 -3.653 17.308 1.00 17.36 0 A 1 +ATOM 1161 C CG2 . ILE A 1 148 ? 33.347 -3.305 18.673 1.00 18.05 0 A 1 +ATOM 1162 C CD1 . ILE A 1 148 ? 30.755 -4.966 17.868 1.00 11.65 0 A 1 +ATOM 1163 N N . SER A 1 149 ? 31.867 -0.463 16.710 1.00 16.67 0 A 1 +ATOM 1164 C CA . SER A 1 149 ? 31.556 0.859 17.245 1.00 11.93 0 A 1 +ATOM 1165 C C . SER A 1 149 ? 30.213 0.784 17.956 1.00 12.08 0 A 1 +ATOM 1166 O O . SER A 1 149 ? 29.525 -0.232 17.867 1.00 17.21 0 A 1 +ATOM 1167 C CB . SER A 1 149 ? 31.488 1.894 16.116 1.00 13.43 0 A 1 +ATOM 1168 O OG . SER A 1 149 ? 30.349 1.690 15.295 1.00 19.78 0 A 1 +ATOM 1169 N N . PHE A 1 150 ? 29.833 1.860 18.645 1.00 15.90 0 A 1 +ATOM 1170 C CA . PHE A 1 150 ? 28.557 1.881 19.357 1.00 14.28 0 A 1 +ATOM 1171 C C . PHE A 1 150 ? 27.379 1.783 18.396 1.00 15.07 0 A 1 +ATOM 1172 O O . PHE A 1 150 ? 26.310 1.299 18.765 1.00 18.45 0 A 1 +ATOM 1173 C CB . PHE A 1 150 ? 28.435 3.119 20.270 1.00 6.01 0 A 1 +ATOM 1174 C CG . PHE A 1 150 ? 28.325 4.432 19.531 1.00 10.24 0 A 1 +ATOM 1175 C CD1 . PHE A 1 150 ? 27.084 4.915 19.129 1.00 7.79 0 A 1 +ATOM 1176 C CD2 . PHE A 1 150 ? 29.461 5.184 19.246 1.00 11.20 0 A 1 +ATOM 1177 C CE1 . PHE A 1 150 ? 26.974 6.130 18.449 1.00 4.86 0 A 1 +ATOM 1178 C CE2 . PHE A 1 150 ? 29.363 6.401 18.566 1.00 12.43 0 A 1 +ATOM 1179 C CZ . PHE A 1 150 ? 28.115 6.875 18.167 1.00 6.22 0 A 1 +ATOM 1180 N N . ALA A 1 151 ? 27.588 2.222 17.156 1.00 14.67 0 A 1 +ATOM 1181 C CA . ALA A 1 151 ? 26.545 2.170 16.130 1.00 9.86 0 A 1 +ATOM 1182 C C . ALA A 1 151 ? 26.207 0.716 15.793 1.00 13.64 0 A 1 +ATOM 1183 O O . ALA A 1 151 ? 25.063 0.395 15.466 1.00 18.49 0 A 1 +ATOM 1184 C CB . ALA A 1 151 ? 26.991 2.923 14.873 1.00 8.29 0 A 1 +ATOM 1185 N N . ASP A 1 152 ? 27.206 -0.157 15.888 1.00 12.74 0 A 1 +ATOM 1186 C CA . ASP A 1 152 ? 27.009 -1.575 15.618 1.00 13.75 0 A 1 +ATOM 1187 C C . ASP A 1 152 ? 26.000 -2.181 16.578 1.00 15.55 0 A 1 +ATOM 1188 O O . ASP A 1 152 ? 25.059 -2.856 16.148 1.00 16.12 0 A 1 +ATOM 1189 C CB . ASP A 1 152 ? 28.335 -2.330 15.726 1.00 15.38 0 A 1 +ATOM 1190 C CG . ASP A 1 152 ? 29.198 -2.166 14.497 1.00 17.05 0 A 1 +ATOM 1191 O OD1 . ASP A 1 152 ? 28.763 -2.584 13.411 1.00 17.90 0 A 1 +ATOM 1192 O OD2 . ASP A 1 152 ? 30.310 -1.622 14.614 1.00 20.46 0 A 1 +ATOM 1193 N N . TYR A 1 153 ? 26.177 -1.910 17.873 1.00 13.19 0 A 1 +ATOM 1194 C CA . TYR A 1 153 ? 25.273 -2.436 18.901 1.00 10.85 0 A 1 +ATOM 1195 C C . TYR A 1 153 ? 23.861 -1.912 18.711 1.00 12.72 0 A 1 +ATOM 1196 O O . TYR A 1 153 ? 22.898 -2.654 18.843 1.00 12.65 0 A 1 +ATOM 1197 C CB . TYR A 1 153 ? 25.778 -2.085 20.309 1.00 11.09 0 A 1 +ATOM 1198 C CG . TYR A 1 153 ? 27.110 -2.701 20.625 1.00 15.15 0 A 1 +ATOM 1199 C CD1 . TYR A 1 153 ? 27.225 -4.070 20.886 1.00 10.58 0 A 1 +ATOM 1200 C CD2 . TYR A 1 153 ? 28.269 -1.929 20.612 1.00 12.66 0 A 1 +ATOM 1201 C CE1 . TYR A 1 153 ? 28.472 -4.652 21.122 1.00 8.48 0 A 1 +ATOM 1202 C CE2 . TYR A 1 153 ? 29.514 -2.500 20.844 1.00 10.43 0 A 1 +ATOM 1203 C CZ . TYR A 1 153 ? 29.607 -3.859 21.097 1.00 11.25 0 A 1 +ATOM 1204 O OH . TYR A 1 153 ? 30.840 -4.419 21.320 1.00 19.43 0 A 1 +ATOM 1205 N N . ASN A 1 154 ? 23.740 -0.634 18.361 1.00 13.16 0 A 1 +ATOM 1206 C CA . ASN A 1 154 ? 22.441 -0.022 18.163 1.00 11.86 0 A 1 +ATOM 1207 C C . ASN A 1 154 ? 21.757 -0.575 16.909 1.00 11.31 0 A 1 +ATOM 1208 O O . ASN A 1 154 ? 20.550 -0.830 16.913 1.00 11.43 0 A 1 +ATOM 1209 C CB . ASN A 1 154 ? 22.570 1.500 18.093 1.00 11.48 0 A 1 +ATOM 1210 C CG . ASN A 1 154 ? 21.255 2.204 18.378 1.00 14.75 0 A 1 +ATOM 1211 N ND2 . ASN A 1 154 ? 21.250 3.517 18.239 1.00 6.38 0 A 1 +ATOM 1212 O OD1 . ASN A 1 154 ? 20.266 1.567 18.750 1.00 21.70 0 A 1 +ATOM 1213 N N . LEU A 1 155 ? 22.531 -0.765 15.844 1.00 13.15 0 A 1 +ATOM 1214 C CA . LEU A 1 155 ? 21.980 -1.296 14.597 1.00 14.55 0 A 1 +ATOM 1215 C C . LEU A 1 155 ? 21.551 -2.744 14.831 1.00 14.03 0 A 1 +ATOM 1216 O O . LEU A 1 155 ? 20.461 -3.144 14.420 1.00 19.73 0 A 1 +ATOM 1217 C CB . LEU A 1 155 ? 23.015 -1.219 13.467 1.00 15.19 0 A 1 +ATOM 1218 C CG . LEU A 1 155 ? 22.609 -1.888 12.144 1.00 13.54 0 A 1 +ATOM 1219 C CD1 . LEU A 1 155 ? 21.292 -1.328 11.634 1.00 18.54 0 A 1 +ATOM 1220 C CD2 . LEU A 1 155 ? 23.708 -1.695 11.117 1.00 10.60 0 A 1 +ATOM 1221 N N . LEU A 1 156 ? 22.394 -3.507 15.529 1.00 10.91 0 A 1 +ATOM 1222 C CA . LEU A 1 156 ? 22.099 -4.907 15.840 1.00 12.78 0 A 1 +ATOM 1223 C C . LEU A 1 156 ? 20.770 -5.011 16.575 1.00 12.99 0 A 1 +ATOM 1224 O O . LEU A 1 156 ? 19.918 -5.822 16.208 1.00 16.51 0 A 1 +ATOM 1225 C CB . LEU A 1 156 ? 23.206 -5.517 16.699 1.00 14.51 0 A 1 +ATOM 1226 C CG . LEU A 1 156 ? 23.016 -6.998 17.041 1.00 14.61 0 A 1 +ATOM 1227 C CD1 . LEU A 1 156 ? 22.962 -7.831 15.764 1.00 4.81 0 A 1 +ATOM 1228 C CD2 . LEU A 1 156 ? 24.150 -7.473 17.933 1.00 12.07 0 A 1 +ATOM 1229 N N . ASP A 1 157 ? 20.591 -4.182 17.605 1.00 13.61 0 A 1 +ATOM 1230 C CA . ASP A 1 157 ? 19.346 -4.187 18.362 1.00 11.27 0 A 1 +ATOM 1231 C C . ASP A 1 157 ? 18.166 -3.885 17.443 1.00 8.71 0 A 1 +ATOM 1232 O O . ASP A 1 157 ? 17.145 -4.577 17.482 1.00 14.18 0 A 1 +ATOM 1233 C CB . ASP A 1 157 ? 19.381 -3.161 19.500 1.00 12.35 0 A 1 +ATOM 1234 C CG . ASP A 1 157 ? 18.058 -3.075 20.232 1.00 16.63 0 A 1 +ATOM 1235 O OD1 . ASP A 1 157 ? 17.627 -4.101 20.788 1.00 20.35 0 A 1 +ATOM 1236 O OD2 . ASP A 1 157 ? 17.401 -2.015 20.187 1.00 19.29 0 A 1 +ATOM 1237 N N . LEU A 1 158 ? 18.311 -2.853 16.615 1.00 8.50 0 A 1 +ATOM 1238 C CA . LEU A 1 158 ? 17.254 -2.470 15.687 1.00 12.15 0 A 1 +ATOM 1239 C C . LEU A 1 158 ? 16.878 -3.653 14.781 1.00 11.76 0 A 1 +ATOM 1240 O O . LEU A 1 158 ? 15.698 -3.948 14.591 1.00 15.38 0 A 1 +ATOM 1241 C CB . LEU A 1 158 ? 17.690 -1.268 14.840 1.00 9.73 0 A 1 +ATOM 1242 C CG . LEU A 1 158 ? 16.608 -0.654 13.942 1.00 14.65 0 A 1 +ATOM 1243 C CD1 . LEU A 1 158 ? 15.533 0.000 14.795 1.00 12.92 0 A 1 +ATOM 1244 C CD2 . LEU A 1 158 ? 17.224 0.367 13.005 1.00 16.13 0 A 1 +ATOM 1245 N N . LEU A 1 159 ? 17.882 -4.359 14.271 1.00 12.20 0 A 1 +ATOM 1246 C CA . LEU A 1 159 ? 17.638 -5.507 13.394 1.00 10.97 0 A 1 +ATOM 1247 C C . LEU A 1 159 ? 16.930 -6.650 14.124 1.00 13.12 0 A 1 +ATOM 1248 O O . LEU A 1 159 ? 15.953 -7.204 13.618 1.00 17.52 0 A 1 +ATOM 1249 C CB . LEU A 1 159 ? 18.955 -5.991 12.774 1.00 6.80 0 A 1 +ATOM 1250 C CG . LEU A 1 159 ? 19.658 -4.948 11.901 1.00 8.80 0 A 1 +ATOM 1251 C CD1 . LEU A 1 159 ? 21.008 -5.451 11.432 1.00 3.64 0 A 1 +ATOM 1252 C CD2 . LEU A 1 159 ? 18.776 -4.591 10.721 1.00 7.07 0 A 1 +ATOM 1253 N N . LEU A 1 160 ? 17.400 -6.968 15.330 1.00 15.08 0 A 1 +ATOM 1254 C CA . LEU A 1 160 ? 16.811 -8.035 16.136 1.00 14.96 0 A 1 +ATOM 1255 C C . LEU A 1 160 ? 15.341 -7.806 16.466 1.00 18.02 0 A 1 +ATOM 1256 O O . LEU A 1 160 ? 14.534 -8.729 16.347 1.00 21.87 0 A 1 +ATOM 1257 C CB . LEU A 1 160 ? 17.607 -8.239 17.430 1.00 12.66 0 A 1 +ATOM 1258 C CG . LEU A 1 160 ? 19.042 -8.755 17.277 1.00 13.90 0 A 1 +ATOM 1259 C CD1 . LEU A 1 160 ? 19.712 -8.790 18.626 1.00 14.44 0 A 1 +ATOM 1260 C CD2 . LEU A 1 160 ? 19.050 -10.140 16.648 1.00 8.80 0 A 1 +ATOM 1261 N N . ILE A 1 161 ? 14.978 -6.586 16.863 1.00 21.24 0 A 1 +ATOM 1262 C CA . ILE A 1 161 ? 13.579 -6.313 17.201 1.00 20.05 0 A 1 +ATOM 1263 C C . ILE A 1 161 ? 12.678 -6.332 15.971 1.00 17.90 0 A 1 +ATOM 1264 O O . ILE A 1 161 ? 11.464 -6.527 16.090 1.00 15.99 0 A 1 +ATOM 1265 C CB . ILE A 1 161 ? 13.388 -4.988 17.990 1.00 15.47 0 A 1 +ATOM 1266 C CG1 . ILE A 1 161 ? 13.787 -3.775 17.144 1.00 17.10 0 A 1 +ATOM 1267 C CG2 . ILE A 1 161 ? 14.181 -5.037 19.285 1.00 10.74 0 A 1 +ATOM 1268 C CD1 . ILE A 1 161 ? 13.656 -2.450 17.877 1.00 13.71 0 A 1 +ATOM 1269 N N . HIS A 1 162 ? 13.264 -6.118 14.793 1.00 17.42 0 A 1 +ATOM 1270 C CA . HIS A 1 162 ? 12.488 -6.155 13.556 1.00 20.75 0 A 1 +ATOM 1271 C C . HIS A 1 162 ? 12.280 -7.595 13.104 1.00 22.73 0 A 1 +ATOM 1272 O O . HIS A 1 162 ? 11.306 -7.896 12.420 1.00 21.43 0 A 1 +ATOM 1273 C CB . HIS A 1 162 ? 13.137 -5.315 12.459 1.00 18.62 0 A 1 +ATOM 1274 C CG . HIS A 1 162 ? 12.784 -3.864 12.537 1.00 20.28 0 A 1 +ATOM 1275 C CD2 . HIS A 1 162 ? 11.745 -3.170 12.012 1.00 14.06 0 A 1 +ATOM 1276 N ND1 . HIS A 1 162 ? 13.518 -2.955 13.265 1.00 16.29 0 A 1 +ATOM 1277 C CE1 . HIS A 1 162 ? 12.948 -1.765 13.191 1.00 14.06 0 A 1 +ATOM 1278 N NE2 . HIS A 1 162 ? 11.871 -1.872 12.435 1.00 10.82 0 A 1 +ATOM 1279 N N . GLU A 1 163 ? 13.209 -8.473 13.480 1.00 17.62 0 A 1 +ATOM 1280 C CA . GLU A 1 163 ? 13.102 -9.892 13.166 1.00 24.14 0 A 1 +ATOM 1281 C C . GLU A 1 163 ? 11.895 -10.415 13.937 1.00 21.50 0 A 1 +ATOM 1282 O O . GLU A 1 163 ? 11.157 -11.269 13.452 1.00 23.44 0 A 1 +ATOM 1283 C CB . GLU A 1 163 ? 14.359 -10.638 13.620 1.00 25.02 0 A 1 +ATOM 1284 C CG . GLU A 1 163 ? 15.385 -10.879 12.527 1.00 32.38 0 A 1 +ATOM 1285 C CD . GLU A 1 163 ? 14.896 -11.866 11.476 1.00 39.96 0 A 1 +ATOM 1286 O OE1 . GLU A 1 163 ? 14.238 -12.862 11.851 1.00 43.34 0 A 1 +ATOM 1287 O OE2 . GLU A 1 163 ? 15.162 -11.646 10.272 1.00 35.46 0 A 1 +ATOM 1288 N N . VAL A 1 164 ? 11.693 -9.871 15.134 1.00 24.17 0 A 1 +ATOM 1289 C CA . VAL A 1 164 ? 10.575 -10.255 15.984 1.00 19.93 0 A 1 +ATOM 1290 C C . VAL A 1 164 ? 9.273 -9.677 15.424 1.00 20.76 0 A 1 +ATOM 1291 O O . VAL A 1 164 ? 8.242 -10.350 15.417 1.00 26.65 0 A 1 +ATOM 1292 C CB . VAL A 1 164 ? 10.775 -9.754 17.440 1.00 22.44 0 A 1 +ATOM 1293 C CG1 . VAL A 1 164 ? 9.558 -10.094 18.297 1.00 16.14 0 A 1 +ATOM 1294 C CG2 . VAL A 1 164 ? 12.035 -10.365 18.041 1.00 14.63 0 A 1 +ATOM 1295 N N . LEU A 1 165 ? 9.330 -8.435 14.946 1.00 19.96 0 A 1 +ATOM 1296 C CA . LEU A 1 165 ? 8.154 -7.767 14.389 1.00 17.74 0 A 1 +ATOM 1297 C C . LEU A 1 165 ? 7.706 -8.388 13.066 1.00 18.72 0 A 1 +ATOM 1298 O O . LEU A 1 165 ? 6.535 -8.718 12.887 1.00 15.88 0 A 1 +ATOM 1299 C CB . LEU A 1 165 ? 8.443 -6.278 14.180 1.00 19.36 0 A 1 +ATOM 1300 C CG . LEU A 1 165 ? 7.319 -5.438 13.569 1.00 22.16 0 A 1 +ATOM 1301 C CD1 . LEU A 1 165 ? 6.193 -5.259 14.570 1.00 13.13 0 A 1 +ATOM 1302 C CD2 . LEU A 1 165 ? 7.861 -4.090 13.140 1.00 15.95 0 A 1 +ATOM 1303 N N . ALA A 1 166 ? 8.649 -8.520 12.142 1.00 18.28 0 A 1 +ATOM 1304 C CA . ALA A 1 166 ? 8.392 -9.085 10.823 1.00 17.97 0 A 1 +ATOM 1305 C C . ALA A 1 166 ? 9.403 -10.199 10.566 1.00 19.36 0 A 1 +ATOM 1306 O O . ALA A 1 166 ? 10.457 -9.967 9.973 1.00 27.25 0 A 1 +ATOM 1307 C CB . ALA A 1 166 ? 8.519 -7.999 9.758 1.00 15.80 0 A 1 +ATOM 1308 N N . PRO A 1 167 ? 9.104 -11.420 11.045 1.00 21.81 0 A 1 +ATOM 1309 C CA . PRO A 1 167 ? 9.986 -12.581 10.873 1.00 22.48 0 A 1 +ATOM 1310 C C . PRO A 1 167 ? 10.393 -12.789 9.417 1.00 25.49 0 A 1 +ATOM 1311 O O . PRO A 1 167 ? 9.550 -12.802 8.519 1.00 29.29 0 A 1 +ATOM 1312 C CB . PRO A 1 167 ? 9.124 -13.733 11.389 1.00 20.23 0 A 1 +ATOM 1313 C CG . PRO A 1 167 ? 8.316 -13.082 12.462 1.00 12.89 0 A 1 +ATOM 1314 C CD . PRO A 1 167 ? 7.894 -11.792 11.798 1.00 17.95 0 A 1 +ATOM 1315 N N . GLY A 1 168 ? 11.696 -12.906 9.190 1.00 25.81 0 A 1 +ATOM 1316 C CA . GLY A 1 168 ? 12.200 -13.110 7.847 1.00 21.82 0 A 1 +ATOM 1317 C C . GLY A 1 168 ? 12.401 -11.847 7.030 1.00 20.75 0 A 1 +ATOM 1318 O O . GLY A 1 168 ? 12.748 -11.929 5.855 1.00 21.49 0 A 1 +ATOM 1319 N N . CYS A 1 169 ? 12.193 -10.679 7.636 1.00 21.15 0 A 1 +ATOM 1320 C CA . CYS A 1 169 ? 12.371 -9.410 6.925 1.00 21.47 0 A 1 +ATOM 1321 C C . CYS A 1 169 ? 13.805 -9.218 6.419 1.00 23.12 0 A 1 +ATOM 1322 O O . CYS A 1 169 ? 14.038 -8.450 5.489 1.00 29.31 0 A 1 +ATOM 1323 C CB . CYS A 1 169 ? 11.966 -8.223 7.813 1.00 18.54 0 A 1 +ATOM 1324 S SG . CYS A 1 169 ? 12.993 -7.986 9.287 1.00 16.50 0 A 1 +ATOM 1325 N N . LEU A 1 170 ? 14.758 -9.917 7.035 1.00 21.97 0 A 1 +ATOM 1326 C CA . LEU A 1 170 ? 16.168 -9.838 6.645 1.00 19.55 0 A 1 +ATOM 1327 C C . LEU A 1 170 ? 16.587 -10.837 5.561 1.00 20.60 0 A 1 +ATOM 1328 O O . LEU A 1 170 ? 17.747 -10.845 5.142 1.00 22.79 0 A 1 +ATOM 1329 C CB . LEU A 1 170 ? 17.069 -10.023 7.868 1.00 17.85 0 A 1 +ATOM 1330 C CG . LEU A 1 170 ? 17.552 -8.773 8.608 1.00 15.57 0 A 1 +ATOM 1331 C CD1 . LEU A 1 170 ? 16.385 -7.864 8.965 1.00 7.75 0 A 1 +ATOM 1332 C CD2 . LEU A 1 170 ? 18.319 -9.194 9.853 1.00 4.59 0 A 1 +ATOM 1333 N N . ASP A 1 171 ? 15.654 -11.679 5.119 1.00 21.29 0 A 1 +ATOM 1334 C CA . ASP A 1 171 ? 15.938 -12.684 4.091 1.00 22.57 0 A 1 +ATOM 1335 C C . ASP A 1 171 ? 16.437 -12.059 2.796 1.00 25.88 0 A 1 +ATOM 1336 O O . ASP A 1 171 ? 17.368 -12.568 2.170 1.00 28.80 0 A 1 +ATOM 1337 C CB . ASP A 1 171 ? 14.692 -13.525 3.797 1.00 29.10 0 A 1 +ATOM 1338 C CG . ASP A 1 171 ? 14.366 -14.510 4.906 1.00 28.36 0 A 1 +ATOM 1339 O OD1 . ASP A 1 171 ? 15.242 -14.771 5.762 1.00 30.27 0 A 1 +ATOM 1340 O OD2 . ASP A 1 171 ? 13.229 -15.034 4.910 1.00 30.48 0 A 1 +ATOM 1341 N N . ALA A 1 172 ? 15.827 -10.941 2.416 1.00 24.73 0 A 1 +ATOM 1342 C CA . ALA A 1 172 ? 16.192 -10.225 1.198 1.00 29.00 0 A 1 +ATOM 1343 C C . ALA A 1 172 ? 17.515 -9.465 1.289 1.00 23.65 0 A 1 +ATOM 1344 O O . ALA A 1 172 ? 17.976 -8.899 0.298 1.00 23.50 0 A 1 +ATOM 1345 C CB . ALA A 1 172 ? 15.073 -9.267 0.816 1.00 32.03 0 A 1 +ATOM 1346 N N . PHE A 1 173 ? 18.133 -9.461 2.469 1.00 25.82 0 A 1 +ATOM 1347 C CA . PHE A 1 173 ? 19.388 -8.742 2.672 1.00 22.53 0 A 1 +ATOM 1348 C C . PHE A 1 173 ? 20.503 -9.646 3.186 1.00 18.15 0 A 1 +ATOM 1349 O O . PHE A 1 173 ? 20.754 -9.716 4.389 1.00 22.08 0 A 1 +ATOM 1350 C CB . PHE A 1 173 ? 19.161 -7.575 3.639 1.00 19.01 0 A 1 +ATOM 1351 C CG . PHE A 1 173 ? 18.082 -6.626 3.198 1.00 19.17 0 A 1 +ATOM 1352 C CD1 . PHE A 1 173 ? 18.353 -5.626 2.270 1.00 21.07 0 A 1 +ATOM 1353 C CD2 . PHE A 1 173 ? 16.783 -6.759 3.681 1.00 20.84 0 A 1 +ATOM 1354 C CE1 . PHE A 1 173 ? 17.346 -4.768 1.829 1.00 17.13 0 A 1 +ATOM 1355 C CE2 . PHE A 1 173 ? 15.767 -5.907 3.247 1.00 15.16 0 A 1 +ATOM 1356 C CZ . PHE A 1 173 ? 16.050 -4.911 2.317 1.00 20.57 0 A 1 +ATOM 1357 N N . PRO A 1 174 ? 21.226 -10.308 2.266 1.00 17.65 0 A 1 +ATOM 1358 C CA . PRO A 1 174 ? 22.326 -11.221 2.597 1.00 18.87 0 A 1 +ATOM 1359 C C . PRO A 1 174 ? 23.421 -10.678 3.514 1.00 18.32 0 A 1 +ATOM 1360 O O . PRO A 1 174 ? 23.911 -11.401 4.380 1.00 24.48 0 A 1 +ATOM 1361 C CB . PRO A 1 174 ? 22.867 -11.624 1.221 1.00 21.61 0 A 1 +ATOM 1362 C CG . PRO A 1 174 ? 22.428 -10.507 0.318 1.00 23.67 0 A 1 +ATOM 1363 C CD . PRO A 1 174 ? 21.052 -10.214 0.808 1.00 15.50 0 A 1 +ATOM 1364 N N . LEU A 1 175 ? 23.812 -9.421 3.320 1.00 20.19 0 A 1 +ATOM 1365 C CA . LEU A 1 175 ? 24.853 -8.810 4.147 1.00 16.90 0 A 1 +ATOM 1366 C C . LEU A 1 175 ? 24.374 -8.521 5.573 1.00 18.86 0 A 1 +ATOM 1367 O O . LEU A 1 175 ? 25.099 -8.764 6.536 1.00 23.56 0 A 1 +ATOM 1368 C CB . LEU A 1 175 ? 25.387 -7.538 3.486 1.00 19.46 0 A 1 +ATOM 1369 C CG . LEU A 1 175 ? 26.597 -7.654 2.549 1.00 24.93 0 A 1 +ATOM 1370 C CD1 . LEU A 1 175 ? 26.691 -9.025 1.906 1.00 16.40 0 A 1 +ATOM 1371 C CD2 . LEU A 1 175 ? 26.524 -6.570 1.501 1.00 10.60 0 A 1 +ATOM 1372 N N . LEU A 1 176 ? 23.151 -8.015 5.706 1.00 18.17 0 A 1 +ATOM 1373 C CA . LEU A 1 176 ? 22.601 -7.726 7.025 1.00 18.84 0 A 1 +ATOM 1374 C C . LEU A 1 176 ? 22.419 -9.024 7.810 1.00 17.79 0 A 1 +ATOM 1375 O O . LEU A 1 176 ? 22.737 -9.080 8.997 1.00 22.22 0 A 1 +ATOM 1376 C CB . LEU A 1 176 ? 21.270 -6.976 6.917 1.00 14.67 0 A 1 +ATOM 1377 C CG . LEU A 1 176 ? 21.346 -5.504 6.497 1.00 17.03 0 A 1 +ATOM 1378 C CD1 . LEU A 1 176 ? 19.948 -4.931 6.360 1.00 12.88 0 A 1 +ATOM 1379 C CD2 . LEU A 1 176 ? 22.152 -4.707 7.510 1.00 17.88 0 A 1 +ATOM 1380 N N . SER A 1 177 ? 21.942 -10.070 7.134 1.00 16.53 0 A 1 +ATOM 1381 C CA . SER A 1 177 ? 21.735 -11.376 7.763 1.00 17.49 0 A 1 +ATOM 1382 C C . SER A 1 177 ? 23.046 -11.955 8.289 1.00 19.10 0 A 1 +ATOM 1383 O O . SER A 1 177 ? 23.110 -12.438 9.423 1.00 24.24 0 A 1 +ATOM 1384 C CB . SER A 1 177 ? 21.107 -12.356 6.773 1.00 15.49 0 A 1 +ATOM 1385 O OG . SER A 1 177 ? 19.812 -11.933 6.397 1.00 24.92 0 A 1 +ATOM 1386 N N . ALA A 1 178 ? 24.087 -11.909 7.462 1.00 13.97 0 A 1 +ATOM 1387 C CA . ALA A 1 178 ? 25.392 -12.423 7.865 1.00 19.98 0 A 1 +ATOM 1388 C C . ALA A 1 178 ? 25.938 -11.572 9.010 1.00 15.98 0 A 1 +ATOM 1389 O O . ALA A 1 178 ? 26.549 -12.088 9.946 1.00 19.18 0 A 1 +ATOM 1390 C CB . ALA A 1 178 ? 26.355 -12.398 6.684 1.00 15.35 0 A 1 +ATOM 1391 N N . TYR A 1 179 ? 25.713 -10.262 8.912 1.00 19.34 0 A 1 +ATOM 1392 C CA . TYR A 1 179 ? 26.153 -9.289 9.909 1.00 13.77 0 A 1 +ATOM 1393 C C . TYR A 1 179 ? 25.547 -9.630 11.271 1.00 13.15 0 A 1 +ATOM 1394 O O . TYR A 1 179 ? 26.266 -9.713 12.269 1.00 19.66 0 A 1 +ATOM 1395 C CB . TYR A 1 179 ? 25.733 -7.889 9.447 1.00 16.41 0 A 1 +ATOM 1396 C CG . TYR A 1 179 ? 25.950 -6.759 10.430 1.00 14.15 0 A 1 +ATOM 1397 C CD1 . TYR A 1 179 ? 27.218 -6.215 10.639 1.00 13.75 0 A 1 +ATOM 1398 C CD2 . TYR A 1 179 ? 24.871 -6.191 11.106 1.00 14.80 0 A 1 +ATOM 1399 C CE1 . TYR A 1 179 ? 27.401 -5.124 11.495 1.00 16.00 0 A 1 +ATOM 1400 C CE2 . TYR A 1 179 ? 25.043 -5.108 11.961 1.00 22.35 0 A 1 +ATOM 1401 C CZ . TYR A 1 179 ? 26.306 -4.578 12.151 1.00 20.37 0 A 1 +ATOM 1402 O OH . TYR A 1 179 ? 26.461 -3.498 12.990 1.00 16.77 0 A 1 +ATOM 1403 N N . VAL A 1 180 ? 24.236 -9.866 11.291 1.00 14.44 0 A 1 +ATOM 1404 C CA . VAL A 1 180 ? 23.515 -10.225 12.511 1.00 13.14 0 A 1 +ATOM 1405 C C . VAL A 1 180 ? 24.049 -11.533 13.104 1.00 16.32 0 A 1 +ATOM 1406 O O . VAL A 1 180 ? 24.326 -11.605 14.299 1.00 20.10 0 A 1 +ATOM 1407 C CB . VAL A 1 180 ? 21.992 -10.363 12.249 1.00 18.70 0 A 1 +ATOM 1408 C CG1 . VAL A 1 180 ? 21.289 -10.990 13.449 1.00 19.49 0 A 1 +ATOM 1409 C CG2 . VAL A 1 180 ? 21.395 -9.008 11.960 1.00 16.72 0 A 1 +ATOM 1410 N N . GLY A 1 181 ? 24.214 -12.554 12.263 1.00 13.08 0 A 1 +ATOM 1411 C CA . GLY A 1 181 ? 24.720 -13.831 12.737 1.00 15.06 0 A 1 +ATOM 1412 C C . GLY A 1 181 ? 26.131 -13.720 13.288 1.00 15.30 0 A 1 +ATOM 1413 O O . GLY A 1 181 ? 26.453 -14.290 14.331 1.00 22.69 0 A 1 +ATOM 1414 N N . ARG A 1 182 ? 26.963 -12.951 12.596 1.00 19.09 0 A 1 +ATOM 1415 C CA . ARG A 1 182 ? 28.350 -12.743 12.981 1.00 20.34 0 A 1 +ATOM 1416 C C . ARG A 1 182 ? 28.482 -12.033 14.334 1.00 23.71 0 A 1 +ATOM 1417 O O . ARG A 1 182 ? 29.239 -12.474 15.204 1.00 29.48 0 A 1 +ATOM 1418 C CB . ARG A 1 182 ? 29.061 -11.936 11.895 1.00 20.24 0 A 1 +ATOM 1419 C CG . ARG A 1 182 ? 30.575 -11.862 12.029 1.00 24.56 0 A 1 +ATOM 1420 C CD . ARG A 1 182 ? 31.154 -10.905 10.993 1.00 28.95 0 A 1 +ATOM 1421 N NE . ARG A 1 182 ? 30.577 -11.137 9.675 1.00 29.43 0 A 1 +ATOM 1422 C CZ . ARG A 1 182 ? 29.982 -10.204 8.938 1.00 30.47 0 A 1 +ATOM 1423 N NH1 . ARG A 1 182 ? 29.886 -8.954 9.369 1.00 24.53 0 A 1 +ATOM 1424 N NH2 . ARG A 1 182 ? 29.424 -10.540 7.786 1.00 32.56 0 A 1 +ATOM 1425 N N . LEU A 1 183 ? 27.754 -10.931 14.507 1.00 21.93 0 A 1 +ATOM 1426 C CA . LEU A 1 183 ? 27.813 -10.182 15.762 1.00 20.84 0 A 1 +ATOM 1427 C C . LEU A 1 183 ? 27.200 -10.962 16.926 1.00 21.95 0 A 1 +ATOM 1428 O O . LEU A 1 183 ? 27.736 -10.949 18.032 1.00 17.73 0 A 1 +ATOM 1429 C CB . LEU A 1 183 ? 27.141 -8.813 15.621 1.00 16.60 0 A 1 +ATOM 1430 C CG . LEU A 1 183 ? 27.844 -7.758 14.758 1.00 21.30 0 A 1 +ATOM 1431 C CD1 . LEU A 1 183 ? 27.252 -6.391 15.057 1.00 16.93 0 A 1 +ATOM 1432 C CD2 . LEU A 1 183 ? 29.336 -7.732 15.045 1.00 20.76 0 A 1 +ATOM 1433 N N . SER A 1 184 ? 26.090 -11.650 16.661 1.00 20.77 0 A 1 +ATOM 1434 C CA . SER A 1 184 ? 25.405 -12.458 17.666 1.00 17.87 0 A 1 +ATOM 1435 C C . SER A 1 184 ? 26.284 -13.607 18.155 1.00 22.67 0 A 1 +ATOM 1436 O O . SER A 1 184 ? 25.998 -14.209 19.194 1.00 23.53 0 A 1 +ATOM 1437 C CB . SER A 1 184 ? 24.118 -13.055 17.089 1.00 15.77 0 A 1 +ATOM 1438 O OG . SER A 1 184 ? 23.195 -12.052 16.720 1.00 20.71 0 A 1 +ATOM 1439 N N . ALA A 1 185 ? 27.334 -13.917 17.395 1.00 20.11 0 A 1 +ATOM 1440 C CA . ALA A 1 185 ? 28.244 -15.008 17.733 1.00 24.80 0 A 1 +ATOM 1441 C C . ALA A 1 185 ? 29.406 -14.603 18.636 1.00 23.83 0 A 1 +ATOM 1442 O O . ALA A 1 185 ? 30.141 -15.462 19.126 1.00 25.96 0 A 1 +ATOM 1443 C CB . ALA A 1 185 ? 28.772 -15.663 16.461 1.00 20.49 0 A 1 +ATOM 1444 N N . ARG A 1 186 ? 29.591 -13.302 18.841 1.00 24.54 0 A 1 +ATOM 1445 C CA . ARG A 1 186 ? 30.670 -12.824 19.702 1.00 23.60 0 A 1 +ATOM 1446 C C . ARG A 1 186 ? 30.437 -13.421 21.092 1.00 25.71 0 A 1 +ATOM 1447 O O . ARG A 1 186 ? 29.338 -13.329 21.632 1.00 26.85 0 A 1 +ATOM 1448 C CB . ARG A 1 186 ? 30.678 -11.294 19.734 1.00 20.03 0 A 1 +ATOM 1449 C CG . ARG A 1 186 ? 30.950 -10.678 18.362 1.00 23.55 0 A 1 +ATOM 1450 C CD . ARG A 1 186 ? 30.751 -9.165 18.340 1.00 23.99 0 A 1 +ATOM 1451 N NE . ARG A 1 186 ? 31.630 -8.475 19.278 1.00 26.93 0 A 1 +ATOM 1452 C CZ . ARG A 1 186 ? 32.867 -8.070 19.000 1.00 24.96 0 A 1 +ATOM 1453 N NH1 . ARG A 1 186 ? 33.390 -8.268 17.797 1.00 14.84 0 A 1 +ATOM 1454 N NH2 . ARG A 1 186 ? 33.580 -7.452 19.929 1.00 20.88 0 A 1 +ATOM 1455 N N . PRO A 1 187 ? 31.467 -14.067 21.668 1.00 29.00 0 A 1 +ATOM 1456 C CA . PRO A 1 187 ? 31.462 -14.723 22.984 1.00 25.00 0 A 1 +ATOM 1457 C C . PRO A 1 187 ? 30.621 -14.082 24.097 1.00 21.43 0 A 1 +ATOM 1458 O O . PRO A 1 187 ? 29.605 -14.650 24.519 1.00 27.36 0 A 1 +ATOM 1459 C CB . PRO A 1 187 ? 32.944 -14.761 23.339 1.00 28.54 0 A 1 +ATOM 1460 C CG . PRO A 1 187 ? 33.573 -15.001 22.018 1.00 25.97 0 A 1 +ATOM 1461 C CD . PRO A 1 187 ? 32.836 -14.028 21.121 1.00 29.13 0 A 1 +ATOM 1462 N N . LYS A 1 188 ? 31.047 -12.910 24.567 1.00 21.27 0 A 1 +ATOM 1463 C CA . LYS A 1 188 ? 30.346 -12.198 25.636 1.00 17.31 0 A 1 +ATOM 1464 C C . LYS A 1 188 ? 28.930 -11.764 25.267 1.00 11.65 0 A 1 +ATOM 1465 O O . LYS A 1 188 ? 28.028 -11.812 26.105 1.00 15.31 0 A 1 +ATOM 1466 C CB . LYS A 1 188 ? 31.165 -10.994 26.095 1.00 17.22 0 A 1 +ATOM 1467 C CG . LYS A 1 188 ? 32.523 -11.372 26.653 1.00 22.48 0 A 1 +ATOM 1468 C CD . LYS A 1 188 ? 33.392 -10.154 26.897 1.00 26.92 0 A 1 +ATOM 1469 C CE . LYS A 1 188 ? 34.796 -10.565 27.302 1.00 28.00 0 A 1 +ATOM 1470 N NZ . LYS A 1 188 ? 34.766 -11.441 28.509 1.00 40.95 0 A 1 +ATOM 1471 N N . LEU A 1 189 ? 28.733 -11.367 24.012 1.00 17.09 0 A 1 +ATOM 1472 C CA . LEU A 1 189 ? 27.420 -10.930 23.537 1.00 17.37 0 A 1 +ATOM 1473 C C . LEU A 1 189 ? 26.445 -12.096 23.449 1.00 18.18 0 A 1 +ATOM 1474 O O . LEU A 1 189 ? 25.268 -11.956 23.786 1.00 18.77 0 A 1 +ATOM 1475 C CB . LEU A 1 189 ? 27.535 -10.271 22.160 1.00 17.30 0 A 1 +ATOM 1476 C CG . LEU A 1 189 ? 26.811 -8.942 21.938 1.00 24.75 0 A 1 +ATOM 1477 C CD1 . LEU A 1 189 ? 26.780 -8.646 20.451 1.00 17.09 0 A 1 +ATOM 1478 C CD2 . LEU A 1 189 ? 25.402 -8.982 22.493 1.00 13.56 0 A 1 +ATOM 1479 N N . LYS A 1 190 ? 26.941 -13.238 22.976 1.00 19.19 0 A 1 +ATOM 1480 C CA . LYS A 1 190 ? 26.128 -14.445 22.838 1.00 16.19 0 A 1 +ATOM 1481 C C . LYS A 1 190 ? 25.623 -14.899 24.203 1.00 12.05 0 A 1 +ATOM 1482 O O . LYS A 1 190 ? 24.449 -15.241 24.355 1.00 18.11 0 A 1 +ATOM 1483 C CB . LYS A 1 190 ? 26.936 -15.569 22.187 1.00 20.88 0 A 1 +ATOM 1484 C CG . LYS A 1 190 ? 26.124 -16.825 21.959 1.00 21.24 0 A 1 +ATOM 1485 C CD . LYS A 1 190 ? 26.974 -17.943 21.419 1.00 29.87 0 A 1 +ATOM 1486 C CE . LYS A 1 190 ? 26.130 -19.186 21.199 1.00 33.81 0 A 1 +ATOM 1487 N NZ . LYS A 1 190 ? 26.952 -20.310 20.677 1.00 40.95 0 A 1 +ATOM 1488 N N . ALA A 1 191 ? 26.522 -14.886 25.187 1.00 15.48 0 A 1 +ATOM 1489 C CA . ALA A 1 191 ? 26.197 -15.275 26.558 1.00 18.01 0 A 1 +ATOM 1490 C C . ALA A 1 191 ? 25.126 -14.342 27.125 1.00 19.74 0 A 1 +ATOM 1491 O O . ALA A 1 191 ? 24.137 -14.797 27.704 1.00 25.31 0 A 1 +ATOM 1492 C CB . ALA A 1 191 ? 27.451 -15.229 27.418 1.00 11.01 0 A 1 +ATOM 1493 N N . PHE A 1 192 ? 25.310 -13.040 26.913 1.00 22.61 0 A 1 +ATOM 1494 C CA . PHE A 1 192 ? 24.362 -12.033 27.392 1.00 16.07 0 A 1 +ATOM 1495 C C . PHE A 1 192 ? 22.983 -12.159 26.746 1.00 13.15 0 A 1 +ATOM 1496 O O . PHE A 1 192 ? 21.969 -12.084 27.434 1.00 18.82 0 A 1 +ATOM 1497 C CB . PHE A 1 192 ? 24.919 -10.616 27.172 1.00 17.26 0 A 1 +ATOM 1498 C CG . PHE A 1 192 ? 23.961 -9.517 27.558 1.00 15.92 0 A 1 +ATOM 1499 C CD1 . PHE A 1 192 ? 23.748 -9.200 28.897 1.00 13.23 0 A 1 +ATOM 1500 C CD2 . PHE A 1 192 ? 23.250 -8.820 26.584 1.00 15.55 0 A 1 +ATOM 1501 C CE1 . PHE A 1 192 ? 22.840 -8.208 29.261 1.00 13.95 0 A 1 +ATOM 1502 C CE2 . PHE A 1 192 ? 22.339 -7.826 26.937 1.00 15.72 0 A 1 +ATOM 1503 C CZ . PHE A 1 192 ? 22.133 -7.520 28.280 1.00 11.02 0 A 1 +ATOM 1504 N N . LEU A 1 193 ? 22.946 -12.350 25.430 1.00 12.91 0 A 1 +ATOM 1505 C CA . LEU A 1 193 ? 21.676 -12.472 24.714 1.00 13.04 0 A 1 +ATOM 1506 C C . LEU A 1 193 ? 20.875 -13.703 25.121 1.00 15.69 0 A 1 +ATOM 1507 O O . LEU A 1 193 ? 19.658 -13.741 24.947 1.00 18.53 0 A 1 +ATOM 1508 C CB . LEU A 1 193 ? 21.903 -12.477 23.198 1.00 9.91 0 A 1 +ATOM 1509 C CG . LEU A 1 193 ? 22.401 -11.172 22.576 1.00 12.89 0 A 1 +ATOM 1510 C CD1 . LEU A 1 193 ? 22.690 -11.381 21.100 1.00 9.28 0 A 1 +ATOM 1511 C CD2 . LEU A 1 193 ? 21.369 -10.074 22.768 1.00 7.61 0 A 1 +ATOM 1512 N N . ALA A 1 194 ? 21.557 -14.699 25.676 1.00 17.81 0 A 1 +ATOM 1513 C CA . ALA A 1 194 ? 20.897 -15.928 26.099 1.00 16.79 0 A 1 +ATOM 1514 C C . ALA A 1 194 ? 20.485 -15.922 27.572 1.00 21.07 0 A 1 +ATOM 1515 O O . ALA A 1 194 ? 19.689 -16.761 27.993 1.00 22.26 0 A 1 +ATOM 1516 C CB . ALA A 1 194 ? 21.795 -17.124 25.811 1.00 13.98 0 A 1 +ATOM 1517 N N . SER A 1 195 ? 21.010 -14.967 28.339 1.00 20.79 0 A 1 +ATOM 1518 C CA . SER A 1 195 ? 20.725 -14.857 29.776 1.00 17.94 0 A 1 +ATOM 1519 C C . SER A 1 195 ? 19.299 -14.406 30.112 1.00 20.92 0 A 1 +ATOM 1520 O O . SER A 1 195 ? 18.633 -13.767 29.298 1.00 22.44 0 A 1 +ATOM 1521 C CB . SER A 1 195 ? 21.724 -13.899 30.429 1.00 14.00 0 A 1 +ATOM 1522 O OG . SER A 1 195 ? 21.421 -12.548 30.115 1.00 19.24 0 A 1 +ATOM 1523 N N . PRO A 1 196 ? 18.820 -14.733 31.332 1.00 22.11 0 A 1 +ATOM 1524 C CA . PRO A 1 196 ? 17.472 -14.362 31.795 1.00 21.05 0 A 1 +ATOM 1525 C C . PRO A 1 196 ? 17.343 -12.843 31.883 1.00 24.02 0 A 1 +ATOM 1526 O O . PRO A 1 196 ? 16.266 -12.277 31.687 1.00 24.92 0 A 1 +ATOM 1527 C CB . PRO A 1 196 ? 17.414 -14.980 33.196 1.00 20.75 0 A 1 +ATOM 1528 C CG . PRO A 1 196 ? 18.372 -16.125 33.115 1.00 18.33 0 A 1 +ATOM 1529 C CD . PRO A 1 196 ? 19.517 -15.528 32.353 1.00 14.63 0 A 1 +ATOM 1530 N N . GLU A 1 197 ? 18.467 -12.206 32.196 1.00 18.45 0 A 1 +ATOM 1531 C CA . GLU A 1 197 ? 18.591 -10.759 32.328 1.00 23.07 0 A 1 +ATOM 1532 C C . GLU A 1 197 ? 18.065 -10.048 31.080 1.00 23.66 0 A 1 +ATOM 1533 O O . GLU A 1 197 ? 17.408 -9.007 31.169 1.00 14.04 0 A 1 +ATOM 1534 C CB . GLU A 1 197 ? 20.067 -10.439 32.517 1.00 25.47 0 A 1 +ATOM 1535 C CG . GLU A 1 197 ? 20.387 -9.061 33.008 1.00 29.12 0 A 1 +ATOM 1536 C CD . GLU A 1 197 ? 21.879 -8.869 33.215 1.00 27.91 0 A 1 +ATOM 1537 O OE1 . GLU A 1 197 ? 22.582 -9.848 33.558 1.00 28.23 0 A 1 +ATOM 1538 O OE2 . GLU A 1 197 ? 22.359 -7.736 33.025 1.00 28.98 0 A 1 +ATOM 1539 N N . TYR A 1 198 ? 18.368 -10.627 29.921 1.00 26.34 0 A 1 +ATOM 1540 C CA . TYR A 1 198 ? 17.945 -10.092 28.634 1.00 19.93 0 A 1 +ATOM 1541 C C . TYR A 1 198 ? 16.641 -10.738 28.163 1.00 16.88 0 A 1 +ATOM 1542 O O . TYR A 1 198 ? 15.644 -10.053 27.929 1.00 16.68 0 A 1 +ATOM 1543 C CB . TYR A 1 198 ? 19.059 -10.318 27.595 1.00 15.44 0 A 1 +ATOM 1544 C CG . TYR A 1 198 ? 18.697 -9.913 26.178 1.00 13.26 0 A 1 +ATOM 1545 C CD1 . TYR A 1 198 ? 18.924 -8.613 25.720 1.00 7.00 0 A 1 +ATOM 1546 C CD2 . TYR A 1 198 ? 18.109 -10.826 25.300 1.00 22.20 0 A 1 +ATOM 1547 C CE1 . TYR A 1 198 ? 18.567 -8.233 24.423 1.00 17.77 0 A 1 +ATOM 1548 C CE2 . TYR A 1 198 ? 17.752 -10.459 24.010 1.00 22.62 0 A 1 +ATOM 1549 C CZ . TYR A 1 198 ? 17.981 -9.163 23.577 1.00 21.82 0 A 1 +ATOM 1550 O OH . TYR A 1 198 ? 17.608 -8.801 22.305 1.00 21.68 0 A 1 +ATOM 1551 N N . VAL A 1 199 ? 16.660 -12.063 28.048 1.00 19.25 0 A 1 +ATOM 1552 C CA . VAL A 1 199 ? 15.518 -12.845 27.577 1.00 21.89 0 A 1 +ATOM 1553 C C . VAL A 1 199 ? 14.191 -12.642 28.301 1.00 23.26 0 A 1 +ATOM 1554 O O . VAL A 1 199 ? 13.144 -12.566 27.661 1.00 21.82 0 A 1 +ATOM 1555 C CB . VAL A 1 199 ? 15.863 -14.360 27.559 1.00 21.45 0 A 1 +ATOM 1556 C CG1 . VAL A 1 199 ? 14.647 -15.186 27.192 1.00 20.93 0 A 1 +ATOM 1557 C CG2 . VAL A 1 199 ? 16.992 -14.625 26.577 1.00 19.98 0 A 1 +ATOM 1558 N N . ASN A 1 200 ? 14.224 -12.534 29.626 1.00 23.60 0 A 1 +ATOM 1559 C CA . ASN A 1 200 ? 12.987 -12.388 30.396 1.00 20.85 0 A 1 +ATOM 1560 C C . ASN A 1 200 ? 12.413 -10.980 30.533 1.00 21.30 0 A 1 +ATOM 1561 O O . ASN A 1 200 ? 11.457 -10.756 31.277 1.00 24.67 0 A 1 +ATOM 1562 C CB . ASN A 1 200 ? 13.130 -13.064 31.760 1.00 19.44 0 A 1 +ATOM 1563 C CG . ASN A 1 200 ? 13.303 -14.563 31.640 1.00 22.46 0 A 1 +ATOM 1564 N ND2 . ASN A 1 200 ? 14.106 -15.140 32.523 1.00 21.29 0 A 1 +ATOM 1565 O OD1 . ASN A 1 200 ? 12.738 -15.191 30.744 1.00 31.52 0 A 1 +ATOM 1566 N N . LEU A 1 201 ? 12.986 -10.043 29.790 1.00 20.16 0 A 1 +ATOM 1567 C CA . LEU A 1 201 ? 12.527 -8.663 29.793 1.00 15.39 0 A 1 +ATOM 1568 C C . LEU A 1 201 ? 11.732 -8.437 28.512 1.00 14.41 0 A 1 +ATOM 1569 O O . LEU A 1 201 ? 12.146 -8.880 27.439 1.00 17.44 0 A 1 +ATOM 1570 C CB . LEU A 1 201 ? 13.734 -7.730 29.805 1.00 16.42 0 A 1 +ATOM 1571 C CG . LEU A 1 201 ? 13.899 -6.754 30.964 1.00 18.28 0 A 1 +ATOM 1572 C CD1 . LEU A 1 201 ? 13.669 -7.450 32.294 1.00 16.60 0 A 1 +ATOM 1573 C CD2 . LEU A 1 201 ? 15.289 -6.146 30.895 1.00 11.18 0 A 1 +ATOM 1574 N N . PRO A 1 202 ? 10.548 -7.811 28.609 1.00 13.08 0 A 1 +ATOM 1575 C CA . PRO A 1 202 ? 9.763 -7.568 27.393 1.00 10.35 0 A 1 +ATOM 1576 C C . PRO A 1 202 ? 10.473 -6.499 26.554 1.00 12.51 0 A 1 +ATOM 1577 O O . PRO A 1 202 ? 11.210 -5.676 27.097 1.00 12.21 0 A 1 +ATOM 1578 C CB . PRO A 1 202 ? 8.428 -7.063 27.944 1.00 10.74 0 A 1 +ATOM 1579 C CG . PRO A 1 202 ? 8.824 -6.373 29.207 1.00 15.14 0 A 1 +ATOM 1580 C CD . PRO A 1 202 ? 9.831 -7.328 29.804 1.00 15.53 0 A 1 +ATOM 1581 N N . ILE A 1 203 ? 10.291 -6.535 25.238 1.00 14.64 0 A 1 +ATOM 1582 C CA . ILE A 1 203 ? 10.942 -5.559 24.363 1.00 18.09 0 A 1 +ATOM 1583 C C . ILE A 1 203 ? 10.426 -4.145 24.631 1.00 16.91 0 A 1 +ATOM 1584 O O . ILE A 1 203 ? 11.210 -3.218 24.854 1.00 22.08 0 A 1 +ATOM 1585 C CB . ILE A 1 203 ? 10.748 -5.911 22.858 1.00 12.61 0 A 1 +ATOM 1586 C CG1 . ILE A 1 203 ? 11.470 -7.222 22.533 1.00 14.04 0 A 1 +ATOM 1587 C CG2 . ILE A 1 203 ? 11.290 -4.792 21.975 1.00 12.72 0 A 1 +ATOM 1588 C CD1 . ILE A 1 203 ? 11.310 -7.677 21.095 1.00 7.30 0 A 1 +ATOM 1589 N N . ASN A 1 204 ? 9.104 -4.005 24.642 1.00 22.33 0 A 1 +ATOM 1590 C CA . ASN A 1 204 ? 8.464 -2.718 24.868 1.00 21.65 0 A 1 +ATOM 1591 C C . ASN A 1 204 ? 7.588 -2.685 26.121 1.00 19.86 0 A 1 +ATOM 1592 O O . ASN A 1 204 ? 7.205 -3.725 26.660 1.00 18.10 0 A 1 +ATOM 1593 C CB . ASN A 1 204 ? 7.649 -2.329 23.628 1.00 17.02 0 A 1 +ATOM 1594 C CG . ASN A 1 204 ? 8.483 -2.377 22.354 1.00 11.05 0 A 1 +ATOM 1595 N ND2 . ASN A 1 204 ? 8.087 -3.225 21.414 1.00 13.89 0 A 1 +ATOM 1596 O OD1 . ASN A 1 204 ? 9.494 -1.685 22.239 1.00 18.08 0 A 1 +ATOM 1597 N N . GLY A 1 205 ? 7.276 -1.473 26.569 1.00 23.47 0 A 1 +ATOM 1598 C CA . GLY A 1 205 ? 6.467 -1.289 27.758 1.00 24.35 0 A 1 +ATOM 1599 C C . GLY A 1 205 ? 4.988 -1.609 27.656 1.00 25.35 0 A 1 +ATOM 1600 O O . GLY A 1 205 ? 4.303 -1.633 28.676 1.00 27.32 0 A 1 +ATOM 1601 N N . ASN A 1 206 ? 4.477 -1.855 26.453 1.00 21.34 0 A 1 +ATOM 1602 C CA . ASN A 1 206 ? 3.057 -2.164 26.303 1.00 26.45 0 A 1 +ATOM 1603 C C . ASN A 1 206 ? 2.778 -3.617 25.911 1.00 25.96 0 A 1 +ATOM 1604 O O . ASN A 1 206 ? 1.663 -3.958 25.508 1.00 23.62 0 A 1 +ATOM 1605 C CB . ASN A 1 206 ? 2.381 -1.197 25.319 1.00 22.52 0 A 1 +ATOM 1606 C CG . ASN A 1 206 ? 2.868 -1.369 23.887 1.00 26.83 0 A 1 +ATOM 1607 N ND2 . ASN A 1 206 ? 2.133 -0.798 22.943 1.00 21.32 0 A 1 +ATOM 1608 O OD1 . ASN A 1 206 ? 3.888 -2.011 23.635 1.00 27.57 0 A 1 +ATOM 1609 N N . GLY A 1 207 ? 3.797 -4.466 26.018 1.00 31.10 0 A 1 +ATOM 1610 C CA . GLY A 1 207 ? 3.631 -5.870 25.685 1.00 33.70 0 A 1 +ATOM 1611 C C . GLY A 1 207 ? 3.508 -6.198 24.208 1.00 37.56 0 A 1 +ATOM 1612 O O . GLY A 1 207 ? 3.250 -7.348 23.847 1.00 41.24 0 A 1 +ATOM 1613 N N . LYS A 1 208 ? 3.653 -5.195 23.349 1.00 31.03 0 A 1 +ATOM 1614 C CA . LYS A 1 208 ? 3.575 -5.423 21.910 1.00 26.00 0 A 1 +ATOM 1615 C C . LYS A 1 208 ? 4.988 -5.553 21.353 1.00 27.27 0 A 1 +ATOM 1616 O O . LYS A 1 208 ? 5.931 -5.001 21.911 1.00 28.52 0 A 1 +ATOM 1617 C CB . LYS A 1 208 ? 2.811 -4.289 21.225 1.00 25.43 0 A 1 +ATOM 1618 C CG . LYS A 1 208 ? 1.361 -4.209 21.667 1.00 28.43 0 A 1 +ATOM 1619 C CD . LYS A 1 208 ? 0.615 -3.101 20.964 1.00 34.32 0 A 1 +ATOM 1620 C CE . LYS A 1 208 ? -0.821 -3.047 21.443 1.00 37.63 0 A 1 +ATOM 1621 N NZ . LYS A 1 208 ? -1.594 -1.975 20.764 1.00 33.62 0 A 1 +ATOM 1622 N N . GLN A 1 209 ? 5.132 -6.327 20.283 1.00 28.60 0 A 1 +ATOM 1623 C CA . GLN A 1 209 ? 6.428 -6.558 19.650 1.00 22.79 0 A 1 +ATOM 1624 C C . GLN A 1 209 ? 6.266 -7.178 18.260 1.00 23.91 0 A 1 +ATOM 1625 O O . GLN A 1 209 ? 7.299 -7.477 17.618 1.00 22.09 0 A 1 +ATOM 1626 C CB . GLN A 1 209 ? 7.263 -7.493 20.517 1.00 17.68 0 A 1 +ATOM 1627 C CG . GLN A 1 209 ? 6.518 -8.755 20.919 1.00 18.20 0 A 1 +ATOM 1628 C CD . GLN A 1 209 ? 7.415 -9.783 21.547 1.00 24.76 0 A 1 +ATOM 1629 N NE2 . GLN A 1 209 ? 7.366 -11.004 21.011 1.00 26.25 0 A 1 +ATOM 1630 O OE1 . GLN A 1 209 ? 8.145 -9.501 22.493 1.00 35.06 0 A 1 +ATOM 1631 O OXT . GLN A 1 209 ? 5.111 -7.365 17.827 1.00 24.47 0 A 1 +ATOM 1632 N N . PRO B 1 2 ? 36.456 22.522 0.112 1.00 43.81 0 B 1 +ATOM 1633 C CA . PRO B 1 2 ? 35.928 23.163 1.346 1.00 35.84 0 B 1 +ATOM 1634 C C . PRO B 1 2 ? 34.592 22.500 1.704 1.00 28.81 0 B 1 +ATOM 1635 O O . PRO B 1 2 ? 34.476 21.270 1.661 1.00 26.75 0 B 1 +ATOM 1636 C CB . PRO B 1 2 ? 35.742 24.637 1.013 1.00 42.67 0 B 1 +ATOM 1637 C CG . PRO B 1 2 ? 35.408 24.539 -0.468 1.00 47.29 0 B 1 +ATOM 1638 C CD . PRO B 1 2 ? 36.297 23.435 -1.037 1.00 48.49 0 B 1 +ATOM 1639 N N . TYR B 1 3 ? 33.580 23.312 2.002 1.00 19.91 0 B 1 +ATOM 1640 C CA . TYR B 1 3 ? 32.265 22.800 2.366 1.00 21.23 0 B 1 +ATOM 1641 C C . TYR B 1 3 ? 31.201 23.090 1.321 1.00 17.17 0 B 1 +ATOM 1642 O O . TYR B 1 3 ? 31.216 24.134 0.668 1.00 22.49 0 B 1 +ATOM 1643 C CB . TYR B 1 3 ? 31.815 23.414 3.689 1.00 18.07 0 B 1 +ATOM 1644 C CG . TYR B 1 3 ? 32.793 23.230 4.822 1.00 15.63 0 B 1 +ATOM 1645 C CD1 . TYR B 1 3 ? 33.159 21.957 5.265 1.00 16.43 0 B 1 +ATOM 1646 C CD2 . TYR B 1 3 ? 33.345 24.335 5.464 1.00 13.07 0 B 1 +ATOM 1647 C CE1 . TYR B 1 3 ? 34.056 21.799 6.325 1.00 15.65 0 B 1 +ATOM 1648 C CE2 . TYR B 1 3 ? 34.236 24.189 6.519 1.00 17.20 0 B 1 +ATOM 1649 C CZ . TYR B 1 3 ? 34.590 22.926 6.945 1.00 20.15 0 B 1 +ATOM 1650 O OH . TYR B 1 3 ? 35.492 22.800 7.974 1.00 22.06 0 B 1 +ATOM 1651 N N . THR B 1 4 ? 30.243 22.177 1.221 1.00 18.06 0 B 1 +ATOM 1652 C CA . THR B 1 4 ? 29.132 22.312 0.292 1.00 17.66 0 B 1 +ATOM 1653 C C . THR B 1 4 ? 27.886 21.755 0.964 1.00 19.05 0 B 1 +ATOM 1654 O O . THR B 1 4 ? 27.889 20.616 1.428 1.00 14.17 0 B 1 +ATOM 1655 C CB . THR B 1 4 ? 29.367 21.502 -1.009 1.00 22.48 0 B 1 +ATOM 1656 C CG2 . THR B 1 4 ? 28.206 21.693 -1.981 1.00 20.92 0 B 1 +ATOM 1657 O OG1 . THR B 1 4 ? 30.582 21.927 -1.632 1.00 27.68 0 B 1 +ATOM 1658 N N . VAL B 1 5 ? 26.843 22.569 1.075 1.00 21.39 0 B 1 +ATOM 1659 C CA . VAL B 1 5 ? 25.602 22.085 1.658 1.00 18.92 0 B 1 +ATOM 1660 C C . VAL B 1 5 ? 24.546 22.032 0.554 1.00 20.91 0 B 1 +ATOM 1661 O O . VAL B 1 5 ? 24.322 23.009 -0.162 1.00 22.15 0 B 1 +ATOM 1662 C CB . VAL B 1 5 ? 25.117 22.916 2.909 1.00 18.75 0 B 1 +ATOM 1663 C CG1 . VAL B 1 5 ? 26.209 23.841 3.418 1.00 12.77 0 B 1 +ATOM 1664 C CG2 . VAL B 1 5 ? 23.828 23.664 2.633 1.00 10.34 0 B 1 +ATOM 1665 N N . VAL B 1 6 ? 23.985 20.847 0.357 1.00 19.15 0 B 1 +ATOM 1666 C CA . VAL B 1 6 ? 22.953 20.631 -0.646 1.00 15.04 0 B 1 +ATOM 1667 C C . VAL B 1 6 ? 21.639 20.575 0.123 1.00 13.80 0 B 1 +ATOM 1668 O O . VAL B 1 6 ? 21.448 19.706 0.982 1.00 16.24 0 B 1 +ATOM 1669 C CB . VAL B 1 6 ? 23.181 19.306 -1.404 1.00 14.53 0 B 1 +ATOM 1670 C CG1 . VAL B 1 6 ? 22.174 19.168 -2.528 1.00 15.40 0 B 1 +ATOM 1671 C CG2 . VAL B 1 6 ? 24.608 19.241 -1.941 1.00 7.93 0 B 1 +ATOM 1672 N N . TYR B 1 7 ? 20.735 21.503 -0.175 1.00 11.33 0 B 1 +ATOM 1673 C CA . TYR B 1 7 ? 19.470 21.558 0.543 1.00 10.01 0 B 1 +ATOM 1674 C C . TYR B 1 7 ? 18.410 22.353 -0.216 1.00 14.20 0 B 1 +ATOM 1675 O O . TYR B 1 7 ? 18.700 23.009 -1.215 1.00 18.71 0 B 1 +ATOM 1676 C CB . TYR B 1 7 ? 19.725 22.197 1.918 1.00 10.80 0 B 1 +ATOM 1677 C CG . TYR B 1 7 ? 18.614 22.036 2.927 1.00 15.46 0 B 1 +ATOM 1678 C CD1 . TYR B 1 7 ? 18.124 20.773 3.254 1.00 15.32 0 B 1 +ATOM 1679 C CD2 . TYR B 1 7 ? 18.064 23.143 3.573 1.00 14.77 0 B 1 +ATOM 1680 C CE1 . TYR B 1 7 ? 17.114 20.610 4.195 1.00 11.99 0 B 1 +ATOM 1681 C CE2 . TYR B 1 7 ? 17.053 22.993 4.520 1.00 14.74 0 B 1 +ATOM 1682 C CZ . TYR B 1 7 ? 16.583 21.719 4.826 1.00 13.25 0 B 1 +ATOM 1683 O OH . TYR B 1 7 ? 15.580 21.549 5.754 1.00 11.16 0 B 1 +ATOM 1684 N N . PHE B 1 8 ? 17.173 22.278 0.265 1.00 18.11 0 B 1 +ATOM 1685 C CA . PHE B 1 8 ? 16.055 22.997 -0.330 1.00 20.72 0 B 1 +ATOM 1686 C C . PHE B 1 8 ? 16.196 24.474 0.033 1.00 21.52 0 B 1 +ATOM 1687 O O . PHE B 1 8 ? 16.954 24.816 0.937 1.00 20.79 0 B 1 +ATOM 1688 C CB . PHE B 1 8 ? 14.742 22.431 0.206 1.00 21.53 0 B 1 +ATOM 1689 C CG . PHE B 1 8 ? 14.568 20.966 -0.067 1.00 28.44 0 B 1 +ATOM 1690 C CD1 . PHE B 1 8 ? 14.313 20.511 -1.363 1.00 24.39 0 B 1 +ATOM 1691 C CD2 . PHE B 1 8 ? 14.682 20.033 0.961 1.00 27.57 0 B 1 +ATOM 1692 C CE1 . PHE B 1 8 ? 14.175 19.149 -1.630 1.00 26.63 0 B 1 +ATOM 1693 C CE2 . PHE B 1 8 ? 14.546 18.664 0.705 1.00 30.65 0 B 1 +ATOM 1694 C CZ . PHE B 1 8 ? 14.293 18.222 -0.594 1.00 32.00 0 B 1 +ATOM 1695 N N . PRO B 1 9 ? 15.506 25.373 -0.688 1.00 21.54 0 B 1 +ATOM 1696 C CA . PRO B 1 9 ? 15.608 26.806 -0.384 1.00 19.80 0 B 1 +ATOM 1697 C C . PRO B 1 9 ? 14.846 27.247 0.875 1.00 20.15 0 B 1 +ATOM 1698 O O . PRO B 1 9 ? 13.976 28.112 0.811 1.00 20.07 0 B 1 +ATOM 1699 C CB . PRO B 1 9 ? 15.055 27.456 -1.650 1.00 23.28 0 B 1 +ATOM 1700 C CG . PRO B 1 9 ? 13.996 26.473 -2.082 1.00 24.91 0 B 1 +ATOM 1701 C CD . PRO B 1 9 ? 14.698 25.148 -1.904 1.00 20.14 0 B 1 +ATOM 1702 N N . VAL B 1 10 ? 15.171 26.631 2.009 1.00 24.02 0 B 1 +ATOM 1703 C CA . VAL B 1 10 ? 14.550 26.952 3.295 1.00 20.78 0 B 1 +ATOM 1704 C C . VAL B 1 10 ? 15.627 26.876 4.372 1.00 21.86 0 B 1 +ATOM 1705 O O . VAL B 1 10 ? 16.718 26.351 4.129 1.00 21.71 0 B 1 +ATOM 1706 C CB . VAL B 1 10 ? 13.411 25.962 3.669 1.00 20.30 0 B 1 +ATOM 1707 C CG1 . VAL B 1 10 ? 12.331 25.954 2.601 1.00 21.54 0 B 1 +ATOM 1708 C CG2 . VAL B 1 10 ? 13.962 24.564 3.887 1.00 25.11 0 B 1 +ATOM 1709 N N . ARG B 1 11 ? 15.338 27.424 5.548 1.00 14.84 0 B 1 +ATOM 1710 C CA . ARG B 1 11 ? 16.292 27.384 6.653 1.00 19.38 0 B 1 +ATOM 1711 C C . ARG B 1 11 ? 16.294 25.967 7.214 1.00 16.20 0 B 1 +ATOM 1712 O O . ARG B 1 11 ? 17.339 25.313 7.264 1.00 14.67 0 B 1 +ATOM 1713 C CB . ARG B 1 11 ? 15.905 28.386 7.740 1.00 15.30 0 B 1 +ATOM 1714 C CG . ARG B 1 11 ? 15.934 29.825 7.269 1.00 13.72 0 B 1 +ATOM 1715 C CD . ARG B 1 11 ? 15.615 30.782 8.394 1.00 17.28 0 B 1 +ATOM 1716 N NE . ARG B 1 11 ? 15.297 32.107 7.876 1.00 18.48 0 B 1 +ATOM 1717 C CZ . ARG B 1 11 ? 14.600 33.022 8.539 1.00 13.13 0 B 1 +ATOM 1718 N NH1 . ARG B 1 11 ? 14.150 32.762 9.762 1.00 17.59 0 B 1 +ATOM 1719 N NH2 . ARG B 1 11 ? 14.322 34.185 7.961 1.00 19.79 0 B 1 +ATOM 1720 N N . GLY B 1 12 ? 15.107 25.510 7.614 1.00 14.97 0 B 1 +ATOM 1721 C CA . GLY B 1 12 ? 14.919 24.170 8.147 1.00 16.27 0 B 1 +ATOM 1722 C C . GLY B 1 12 ? 16.043 23.580 8.979 1.00 16.27 0 B 1 +ATOM 1723 O O . GLY B 1 12 ? 16.525 24.201 9.930 1.00 18.48 0 B 1 +ATOM 1724 N N . ARG B 1 13 ? 16.494 22.393 8.587 1.00 13.50 0 B 1 +ATOM 1725 C CA . ARG B 1 13 ? 17.557 21.700 9.303 1.00 13.12 0 B 1 +ATOM 1726 C C . ARG B 1 13 ? 18.984 22.143 8.997 1.00 14.05 0 B 1 +ATOM 1727 O O . ARG B 1 13 ? 19.941 21.511 9.453 1.00 13.51 0 B 1 +ATOM 1728 C CB . ARG B 1 13 ? 17.419 20.189 9.123 1.00 9.15 0 B 1 +ATOM 1729 C CG . ARG B 1 13 ? 16.250 19.595 9.896 1.00 4.44 0 B 1 +ATOM 1730 C CD . ARG B 1 13 ? 16.233 18.086 9.786 1.00 12.73 0 B 1 +ATOM 1731 N NE . ARG B 1 13 ? 15.255 17.479 10.688 1.00 19.02 0 B 1 +ATOM 1732 C CZ . ARG B 1 13 ? 15.511 17.133 11.947 1.00 12.00 0 B 1 +ATOM 1733 N NH1 . ARG B 1 13 ? 16.715 17.344 12.474 1.00 10.75 0 B 1 +ATOM 1734 N NH2 . ARG B 1 13 ? 14.558 16.583 12.686 1.00 13.35 0 B 1 +ATOM 1735 N N . CYS B 1 14 ? 19.137 23.223 8.234 1.00 10.29 0 B 1 +ATOM 1736 C CA . CYS B 1 14 ? 20.473 23.722 7.915 1.00 15.69 0 B 1 +ATOM 1737 C C . CYS B 1 14 ? 20.777 25.056 8.583 1.00 10.57 0 B 1 +ATOM 1738 O O . CYS B 1 14 ? 21.923 25.518 8.566 1.00 17.13 0 B 1 +ATOM 1739 C CB . CYS B 1 14 ? 20.666 23.837 6.404 1.00 14.82 0 B 1 +ATOM 1740 S SG . CYS B 1 14 ? 20.802 22.248 5.584 1.00 19.67 0 B 1 +ATOM 1741 N N . ALA B 1 15 ? 19.754 25.658 9.187 1.00 13.71 0 B 1 +ATOM 1742 C CA . ALA B 1 15 ? 19.894 26.944 9.860 1.00 13.88 0 B 1 +ATOM 1743 C C . ALA B 1 15 ? 21.024 26.948 10.892 1.00 11.11 0 B 1 +ATOM 1744 O O . ALA B 1 15 ? 21.909 27.802 10.851 1.00 16.99 0 B 1 +ATOM 1745 C CB . ALA B 1 15 ? 18.577 27.330 10.509 1.00 6.58 0 B 1 +ATOM 1746 N N . ALA B 1 16 ? 21.022 25.956 11.777 1.00 14.29 0 B 1 +ATOM 1747 C CA . ALA B 1 16 ? 22.038 25.856 12.816 1.00 11.83 0 B 1 +ATOM 1748 C C . ALA B 1 16 ? 23.447 25.658 12.272 1.00 15.77 0 B 1 +ATOM 1749 O O . ALA B 1 16 ? 24.385 26.332 12.714 1.00 17.33 0 B 1 +ATOM 1750 C CB . ALA B 1 16 ? 21.683 24.747 13.791 1.00 9.46 0 B 1 +ATOM 1751 N N . LEU B 1 17 ? 23.600 24.755 11.305 1.00 18.54 0 B 1 +ATOM 1752 C CA . LEU B 1 17 ? 24.920 24.494 10.730 1.00 15.95 0 B 1 +ATOM 1753 C C . LEU B 1 17 ? 25.433 25.696 9.934 1.00 10.49 0 B 1 +ATOM 1754 O O . LEU B 1 17 ? 26.639 25.927 9.860 1.00 16.44 0 B 1 +ATOM 1755 C CB . LEU B 1 17 ? 24.928 23.195 9.900 1.00 12.67 0 B 1 +ATOM 1756 C CG . LEU B 1 17 ? 24.156 23.036 8.588 1.00 11.14 0 B 1 +ATOM 1757 C CD1 . LEU B 1 17 ? 25.082 23.325 7.424 1.00 3.24 0 B 1 +ATOM 1758 C CD2 . LEU B 1 17 ? 23.615 21.612 8.473 1.00 12.33 0 B 1 +ATOM 1759 N N . ARG B 1 18 ? 24.515 26.476 9.367 1.00 11.81 0 B 1 +ATOM 1760 C CA . ARG B 1 18 ? 24.891 27.674 8.618 1.00 12.23 0 B 1 +ATOM 1761 C C . ARG B 1 18 ? 25.375 28.751 9.588 1.00 10.45 0 B 1 +ATOM 1762 O O . ARG B 1 18 ? 26.380 29.416 9.331 1.00 16.59 0 B 1 +ATOM 1763 C CB . ARG B 1 18 ? 23.710 28.195 7.804 1.00 8.73 0 B 1 +ATOM 1764 C CG . ARG B 1 18 ? 23.418 27.381 6.566 1.00 7.20 0 B 1 +ATOM 1765 C CD . ARG B 1 18 ? 22.061 27.743 6.005 1.00 13.69 0 B 1 +ATOM 1766 N NE . ARG B 1 18 ? 21.810 27.073 4.734 1.00 13.61 0 B 1 +ATOM 1767 C CZ . ARG B 1 18 ? 20.604 26.797 4.254 1.00 10.96 0 B 1 +ATOM 1768 N NH1 . ARG B 1 18 ? 19.517 27.128 4.940 1.00 12.63 0 B 1 +ATOM 1769 N NH2 . ARG B 1 18 ? 20.486 26.195 3.078 1.00 14.54 0 B 1 +ATOM 1770 N N . MET B 1 19 ? 24.661 28.905 10.706 1.00 13.30 0 B 1 +ATOM 1771 C CA . MET B 1 19 ? 25.034 29.882 11.728 1.00 10.84 0 B 1 +ATOM 1772 C C . MET B 1 19 ? 26.402 29.532 12.294 1.00 12.29 0 B 1 +ATOM 1773 O O . MET B 1 19 ? 27.211 30.411 12.574 1.00 16.25 0 B 1 +ATOM 1774 C CB . MET B 1 19 ? 24.021 29.901 12.870 1.00 7.48 0 B 1 +ATOM 1775 C CG . MET B 1 19 ? 22.626 30.337 12.477 1.00 11.33 0 B 1 +ATOM 1776 S SD . MET B 1 19 ? 21.554 30.545 13.921 1.00 20.62 0 B 1 +ATOM 1777 C CE . MET B 1 19 ? 21.340 28.900 14.412 1.00 23.54 0 B 1 +ATOM 1778 N N . LEU B 1 20 ? 26.648 28.236 12.459 1.00 14.03 0 B 1 +ATOM 1779 C CA . LEU B 1 20 ? 27.916 27.744 12.985 1.00 14.46 0 B 1 +ATOM 1780 C C . LEU B 1 20 ? 29.064 28.113 12.046 1.00 11.96 0 B 1 +ATOM 1781 O O . LEU B 1 20 ? 30.083 28.655 12.485 1.00 22.84 0 B 1 +ATOM 1782 C CB . LEU B 1 20 ? 27.842 26.223 13.179 1.00 8.64 0 B 1 +ATOM 1783 C CG . LEU B 1 20 ? 28.971 25.482 13.907 1.00 5.60 0 B 1 +ATOM 1784 C CD1 . LEU B 1 20 ? 28.451 24.135 14.389 1.00 10.58 0 B 1 +ATOM 1785 C CD2 . LEU B 1 20 ? 30.198 25.303 13.017 1.00 2.05 0 B 1 +ATOM 1786 N N . LEU B 1 21 ? 28.897 27.801 10.760 1.00 13.96 0 B 1 +ATOM 1787 C CA . LEU B 1 21 ? 29.910 28.096 9.752 1.00 14.99 0 B 1 +ATOM 1788 C C . LEU B 1 21 ? 30.167 29.596 9.656 1.00 18.05 0 B 1 +ATOM 1789 O O . LEU B 1 21 ? 31.316 30.031 9.662 1.00 19.87 0 B 1 +ATOM 1790 C CB . LEU B 1 21 ? 29.484 27.549 8.389 1.00 11.76 0 B 1 +ATOM 1791 C CG . LEU B 1 21 ? 29.547 26.030 8.229 1.00 11.56 0 B 1 +ATOM 1792 C CD1 . LEU B 1 21 ? 28.894 25.612 6.926 1.00 14.81 0 B 1 +ATOM 1793 C CD2 . LEU B 1 21 ? 30.993 25.564 8.281 1.00 6.15 0 B 1 +ATOM 1794 N N . ALA B 1 22 ? 29.092 30.378 9.604 1.00 23.60 0 B 1 +ATOM 1795 C CA . ALA B 1 22 ? 29.191 31.831 9.515 1.00 21.34 0 B 1 +ATOM 1796 C C . ALA B 1 22 ? 29.941 32.414 10.711 1.00 20.82 0 B 1 +ATOM 1797 O O . ALA B 1 22 ? 30.927 33.135 10.548 1.00 22.49 0 B 1 +ATOM 1798 C CB . ALA B 1 22 ? 27.809 32.436 9.426 1.00 17.23 0 B 1 +ATOM 1799 N N . ASP B 1 23 ? 29.500 32.051 11.912 1.00 18.61 0 B 1 +ATOM 1800 C CA . ASP B 1 23 ? 30.104 32.536 13.145 1.00 16.42 0 B 1 +ATOM 1801 C C . ASP B 1 23 ? 31.563 32.119 13.318 1.00 19.05 0 B 1 +ATOM 1802 O O . ASP B 1 23 ? 32.342 32.832 13.950 1.00 20.06 0 B 1 +ATOM 1803 C CB . ASP B 1 23 ? 29.277 32.073 14.346 1.00 22.68 0 B 1 +ATOM 1804 C CG . ASP B 1 23 ? 29.571 32.867 15.601 1.00 23.00 0 B 1 +ATOM 1805 O OD1 . ASP B 1 23 ? 29.380 34.102 15.590 1.00 25.24 0 B 1 +ATOM 1806 O OD2 . ASP B 1 23 ? 29.966 32.245 16.603 1.00 20.31 0 B 1 +ATOM 1807 N N . GLN B 1 24 ? 31.932 30.967 12.767 1.00 18.07 0 B 1 +ATOM 1808 C CA . GLN B 1 24 ? 33.307 30.478 12.868 1.00 17.60 0 B 1 +ATOM 1809 C C . GLN B 1 24 ? 34.195 31.012 11.754 1.00 14.83 0 B 1 +ATOM 1810 O O . GLN B 1 24 ? 35.357 30.622 11.644 1.00 20.83 0 B 1 +ATOM 1811 C CB . GLN B 1 24 ? 33.336 28.948 12.871 1.00 19.14 0 B 1 +ATOM 1812 C CG . GLN B 1 24 ? 32.766 28.331 14.147 1.00 15.09 0 B 1 +ATOM 1813 C CD . GLN B 1 24 ? 33.505 28.794 15.389 1.00 12.90 0 B 1 +ATOM 1814 N NE2 . GLN B 1 24 ? 32.764 29.221 16.399 1.00 13.81 0 B 1 +ATOM 1815 O OE1 . GLN B 1 24 ? 34.736 28.741 15.443 1.00 12.05 0 B 1 +ATOM 1816 N N . GLY B 1 25 ? 33.635 31.896 10.930 1.00 22.04 0 B 1 +ATOM 1817 C CA . GLY B 1 25 ? 34.382 32.486 9.833 1.00 20.10 0 B 1 +ATOM 1818 C C . GLY B 1 25 ? 34.715 31.517 8.716 1.00 23.51 0 B 1 +ATOM 1819 O O . GLY B 1 25 ? 35.752 31.648 8.071 1.00 28.36 0 B 1 +ATOM 1820 N N . GLN B 1 26 ? 33.841 30.542 8.488 1.00 22.95 0 B 1 +ATOM 1821 C CA . GLN B 1 26 ? 34.048 29.544 7.443 1.00 22.49 0 B 1 +ATOM 1822 C C . GLN B 1 26 ? 33.286 29.887 6.169 1.00 24.12 0 B 1 +ATOM 1823 O O . GLN B 1 26 ? 32.208 30.479 6.217 1.00 26.60 0 B 1 +ATOM 1824 C CB . GLN B 1 26 ? 33.609 28.161 7.928 1.00 22.18 0 B 1 +ATOM 1825 C CG . GLN B 1 26 ? 34.300 27.689 9.194 1.00 19.74 0 B 1 +ATOM 1826 C CD . GLN B 1 26 ? 35.796 27.590 9.039 1.00 23.50 0 B 1 +ATOM 1827 N NE2 . GLN B 1 26 ? 36.525 28.013 10.064 1.00 23.87 0 B 1 +ATOM 1828 O OE1 . GLN B 1 26 ? 36.293 27.116 8.021 1.00 32.26 0 B 1 +ATOM 1829 N N . SER B 1 27 ? 33.853 29.491 5.033 1.00 30.00 0 B 1 +ATOM 1830 C CA . SER B 1 27 ? 33.250 29.730 3.726 1.00 28.75 0 B 1 +ATOM 1831 C C . SER B 1 27 ? 32.634 28.421 3.262 1.00 26.59 0 B 1 +ATOM 1832 O O . SER B 1 27 ? 33.189 27.350 3.506 1.00 23.02 0 B 1 +ATOM 1833 C CB . SER B 1 27 ? 34.319 30.144 2.709 1.00 30.97 0 B 1 +ATOM 1834 O OG . SER B 1 27 ? 35.229 31.082 3.255 1.00 34.30 0 B 1 +ATOM 1835 N N . TRP B 1 28 ? 31.494 28.501 2.591 1.00 21.76 0 B 1 +ATOM 1836 C CA . TRP B 1 28 ? 30.849 27.300 2.083 1.00 20.45 0 B 1 +ATOM 1837 C C . TRP B 1 28 ? 30.034 27.599 0.834 1.00 19.73 0 B 1 +ATOM 1838 O O . TRP B 1 28 ? 29.657 28.740 0.582 1.00 17.27 0 B 1 +ATOM 1839 C CB . TRP B 1 28 ? 29.971 26.643 3.156 1.00 14.02 0 B 1 +ATOM 1840 C CG . TRP B 1 28 ? 28.704 27.382 3.489 1.00 11.82 0 B 1 +ATOM 1841 C CD1 . TRP B 1 28 ? 27.455 27.126 3.001 1.00 14.47 0 B 1 +ATOM 1842 C CD2 . TRP B 1 28 ? 28.560 28.458 4.431 1.00 10.80 0 B 1 +ATOM 1843 C CE2 . TRP B 1 28 ? 27.186 28.790 4.467 1.00 8.72 0 B 1 +ATOM 1844 C CE3 . TRP B 1 28 ? 29.449 29.163 5.250 1.00 13.17 0 B 1 +ATOM 1845 N NE1 . TRP B 1 28 ? 26.539 27.967 3.587 1.00 12.74 0 B 1 +ATOM 1846 C CZ2 . TRP B 1 28 ? 26.685 29.803 5.294 1.00 7.25 0 B 1 +ATOM 1847 C CZ3 . TRP B 1 28 ? 28.949 30.168 6.071 1.00 12.31 0 B 1 +ATOM 1848 C CH2 . TRP B 1 28 ? 27.577 30.476 6.086 1.00 12.18 0 B 1 +ATOM 1849 N N . LYS B 1 29 ? 29.774 26.556 0.057 1.00 19.11 0 B 1 +ATOM 1850 C CA . LYS B 1 29 ? 29.012 26.663 -1.175 1.00 23.10 0 B 1 +ATOM 1851 C C . LYS B 1 29 ? 27.614 26.114 -0.941 1.00 25.89 0 B 1 +ATOM 1852 O O . LYS B 1 29 ? 27.443 25.087 -0.286 1.00 24.44 0 B 1 +ATOM 1853 C CB . LYS B 1 29 ? 29.717 25.869 -2.280 1.00 29.87 0 B 1 +ATOM 1854 C CG . LYS B 1 29 ? 28.887 25.607 -3.523 1.00 41.03 0 B 1 +ATOM 1855 C CD . LYS B 1 29 ? 28.694 26.854 -4.373 1.00 54.60 0 B 1 +ATOM 1856 C CE . LYS B 1 29 ? 27.795 26.555 -5.569 1.00 60.22 0 B 1 +ATOM 1857 N NZ . LYS B 1 29 ? 28.278 25.361 -6.331 1.00 66.25 0 B 1 +ATOM 1858 N N . GLU B 1 30 ? 26.614 26.825 -1.446 1.00 27.09 0 B 1 +ATOM 1859 C CA . GLU B 1 30 ? 25.232 26.397 -1.314 1.00 22.76 0 B 1 +ATOM 1860 C C . GLU B 1 30 ? 24.750 25.834 -2.643 1.00 27.22 0 B 1 +ATOM 1861 O O . GLU B 1 30 ? 24.811 26.508 -3.671 1.00 28.14 0 B 1 +ATOM 1862 C CB . GLU B 1 30 ? 24.338 27.570 -0.905 1.00 24.71 0 B 1 +ATOM 1863 C CG . GLU B 1 30 ? 24.514 28.050 0.532 1.00 25.60 0 B 1 +ATOM 1864 C CD . GLU B 1 30 ? 23.715 27.251 1.555 1.00 22.68 0 B 1 +ATOM 1865 O OE1 . GLU B 1 30 ? 22.968 26.320 1.174 1.00 25.52 0 B 1 +ATOM 1866 O OE2 . GLU B 1 30 ? 23.838 27.564 2.757 1.00 25.33 0 B 1 +ATOM 1867 N N . GLU B 1 31 ? 24.337 24.574 -2.623 1.00 29.40 0 B 1 +ATOM 1868 C CA . GLU B 1 31 ? 23.813 23.905 -3.803 1.00 30.25 0 B 1 +ATOM 1869 C C . GLU B 1 31 ? 22.324 23.805 -3.558 1.00 29.50 0 B 1 +ATOM 1870 O O . GLU B 1 31 ? 21.868 22.946 -2.809 1.00 29.93 0 B 1 +ATOM 1871 C CB . GLU B 1 31 ? 24.419 22.511 -3.949 1.00 34.26 0 B 1 +ATOM 1872 C CG . GLU B 1 31 ? 25.774 22.493 -4.623 1.00 47.90 0 B 1 +ATOM 1873 C CD . GLU B 1 31 ? 25.678 22.761 -6.113 1.00 54.07 0 B 1 +ATOM 1874 O OE1 . GLU B 1 31 ? 25.642 23.946 -6.515 1.00 53.62 0 B 1 +ATOM 1875 O OE2 . GLU B 1 31 ? 25.625 21.779 -6.883 1.00 66.85 0 B 1 +ATOM 1876 N N . VAL B 1 32 ? 21.572 24.725 -4.146 1.00 29.27 0 B 1 +ATOM 1877 C CA . VAL B 1 32 ? 20.132 24.751 -3.963 1.00 26.39 0 B 1 +ATOM 1878 C C . VAL B 1 32 ? 19.401 23.743 -4.828 1.00 30.94 0 B 1 +ATOM 1879 O O . VAL B 1 32 ? 19.620 23.663 -6.033 1.00 39.04 0 B 1 +ATOM 1880 C CB . VAL B 1 32 ? 19.562 26.158 -4.219 1.00 30.62 0 B 1 +ATOM 1881 C CG1 . VAL B 1 32 ? 18.067 26.176 -3.945 1.00 25.87 0 B 1 +ATOM 1882 C CG2 . VAL B 1 32 ? 20.279 27.174 -3.342 1.00 26.68 0 B 1 +ATOM 1883 N N . VAL B 1 33 ? 18.544 22.962 -4.185 1.00 32.24 0 B 1 +ATOM 1884 C CA . VAL B 1 33 ? 17.747 21.954 -4.859 1.00 26.40 0 B 1 +ATOM 1885 C C . VAL B 1 33 ? 16.300 22.392 -4.727 1.00 31.56 0 B 1 +ATOM 1886 O O . VAL B 1 33 ? 15.805 22.594 -3.617 1.00 33.69 0 B 1 +ATOM 1887 C CB . VAL B 1 33 ? 17.915 20.563 -4.207 1.00 24.47 0 B 1 +ATOM 1888 C CG1 . VAL B 1 33 ? 16.964 19.562 -4.845 1.00 23.77 0 B 1 +ATOM 1889 C CG2 . VAL B 1 33 ? 19.350 20.087 -4.348 1.00 21.90 0 B 1 +ATOM 1890 N N . THR B 1 34 ? 15.637 22.574 -5.864 1.00 36.24 0 B 1 +ATOM 1891 C CA . THR B 1 34 ? 14.240 22.988 -5.875 1.00 39.40 0 B 1 +ATOM 1892 C C . THR B 1 34 ? 13.335 21.766 -5.754 1.00 39.86 0 B 1 +ATOM 1893 O O . THR B 1 34 ? 13.777 20.635 -5.960 1.00 37.37 0 B 1 +ATOM 1894 C CB . THR B 1 34 ? 13.892 23.739 -7.174 1.00 38.77 0 B 1 +ATOM 1895 C CG2 . THR B 1 34 ? 14.838 24.914 -7.378 1.00 44.18 0 B 1 +ATOM 1896 O OG1 . THR B 1 34 ? 14.013 22.845 -8.287 1.00 45.87 0 B 1 +ATOM 1897 N N . VAL B 1 35 ? 12.069 22.001 -5.418 1.00 47.64 0 B 1 +ATOM 1898 C CA . VAL B 1 35 ? 11.088 20.925 -5.277 1.00 53.28 0 B 1 +ATOM 1899 C C . VAL B 1 35 ? 10.899 20.185 -6.607 1.00 54.22 0 B 1 +ATOM 1900 O O . VAL B 1 35 ? 10.598 18.991 -6.625 1.00 51.37 0 B 1 +ATOM 1901 C CB . VAL B 1 35 ? 9.719 21.477 -4.786 1.00 56.47 0 B 1 +ATOM 1902 C CG1 . VAL B 1 35 ? 9.053 22.331 -5.876 1.00 58.28 0 B 1 +ATOM 1903 C CG2 . VAL B 1 35 ? 8.809 20.338 -4.349 1.00 60.50 0 B 1 +ATOM 1904 N N . GLU B 1 36 ? 11.097 20.901 -7.712 1.00 58.43 0 B 1 +ATOM 1905 C CA . GLU B 1 36 ? 10.962 20.330 -9.049 1.00 61.12 0 B 1 +ATOM 1906 C C . GLU B 1 36 ? 12.079 19.323 -9.294 1.00 57.43 0 B 1 +ATOM 1907 O O . GLU B 1 36 ? 11.821 18.167 -9.636 1.00 57.50 0 B 1 +ATOM 1908 C CB . GLU B 1 36 ? 11.057 21.429 -10.105 1.00 67.67 0 B 1 +ATOM 1909 C CG . GLU B 1 36 ? 10.280 22.693 -9.779 1.00 76.81 0 B 1 +ATOM 1910 C CD . GLU B 1 36 ? 11.060 23.952 -10.125 1.00 82.50 0 B 1 +ATOM 1911 O OE1 . GLU B 1 36 ? 11.947 23.895 -11.012 1.00 85.34 0 B 1 +ATOM 1912 O OE2 . GLU B 1 36 ? 10.796 24.996 -9.492 1.00 85.98 0 B 1 +ATOM 1913 N N . THR B 1 37 ? 13.319 19.778 -9.119 1.00 52.77 0 B 1 +ATOM 1914 C CA . THR B 1 37 ? 14.498 18.940 -9.312 1.00 46.99 0 B 1 +ATOM 1915 C C . THR B 1 37 ? 14.421 17.681 -8.440 1.00 47.18 0 B 1 +ATOM 1916 O O . THR B 1 37 ? 14.750 16.582 -8.892 1.00 45.53 0 B 1 +ATOM 1917 C CB . THR B 1 37 ? 15.797 19.711 -8.961 1.00 44.38 0 B 1 +ATOM 1918 C CG2 . THR B 1 37 ? 17.022 18.958 -9.462 1.00 38.19 0 B 1 +ATOM 1919 O OG1 . THR B 1 37 ? 15.770 21.007 -9.571 1.00 35.05 0 B 1 +ATOM 1920 N N . TRP B 1 38 ? 13.957 17.852 -7.202 1.00 42.94 0 B 1 +ATOM 1921 C CA . TRP B 1 38 ? 13.827 16.750 -6.247 1.00 43.28 0 B 1 +ATOM 1922 C C . TRP B 1 38 ? 12.808 15.704 -6.702 1.00 47.41 0 B 1 +ATOM 1923 O O . TRP B 1 38 ? 13.067 14.502 -6.616 1.00 50.08 0 B 1 +ATOM 1924 C CB . TRP B 1 38 ? 13.447 17.297 -4.864 1.00 36.44 0 B 1 +ATOM 1925 C CG . TRP B 1 38 ? 13.438 16.274 -3.751 1.00 33.30 0 B 1 +ATOM 1926 C CD1 . TRP B 1 38 ? 12.344 15.804 -3.081 1.00 32.64 0 B 1 +ATOM 1927 C CD2 . TRP B 1 38 ? 14.578 15.630 -3.163 1.00 28.13 0 B 1 +ATOM 1928 C CE2 . TRP B 1 38 ? 14.092 14.785 -2.135 1.00 29.08 0 B 1 +ATOM 1929 C CE3 . TRP B 1 38 ? 15.958 15.685 -3.397 1.00 25.40 0 B 1 +ATOM 1930 N NE1 . TRP B 1 38 ? 12.732 14.912 -2.109 1.00 31.63 0 B 1 +ATOM 1931 C CZ2 . TRP B 1 38 ? 14.945 14.002 -1.344 1.00 23.42 0 B 1 +ATOM 1932 C CZ3 . TRP B 1 38 ? 16.804 14.907 -2.610 1.00 21.21 0 B 1 +ATOM 1933 C CH2 . TRP B 1 38 ? 16.291 14.076 -1.595 1.00 18.10 0 B 1 +ATOM 1934 N N . GLN B 1 39 ? 11.661 16.164 -7.198 1.00 52.69 0 B 1 +ATOM 1935 C CA . GLN B 1 39 ? 10.611 15.261 -7.665 1.00 56.62 0 B 1 +ATOM 1936 C C . GLN B 1 39 ? 10.977 14.507 -8.939 1.00 56.84 0 B 1 +ATOM 1937 O O . GLN B 1 39 ? 10.292 13.557 -9.322 1.00 60.81 0 B 1 +ATOM 1938 C CB . GLN B 1 39 ? 9.294 16.015 -7.833 1.00 57.23 0 B 1 +ATOM 1939 C CG . GLN B 1 39 ? 8.703 16.459 -6.503 1.00 60.47 0 B 1 +ATOM 1940 C CD . GLN B 1 39 ? 7.534 17.409 -6.652 1.00 65.34 0 B 1 +ATOM 1941 N NE2 . GLN B 1 39 ? 6.802 17.611 -5.565 1.00 64.94 0 B 1 +ATOM 1942 O OE1 . GLN B 1 39 ? 7.303 17.975 -7.724 1.00 67.75 0 B 1 +ATOM 1943 N N . GLU B 1 40 ? 12.064 14.924 -9.586 1.00 57.04 0 B 1 +ATOM 1944 C CA . GLU B 1 40 ? 12.539 14.261 -10.795 1.00 56.97 0 B 1 +ATOM 1945 C C . GLU B 1 40 ? 13.010 12.849 -10.408 1.00 58.80 0 B 1 +ATOM 1946 O O . GLU B 1 40 ? 12.970 11.927 -11.224 1.00 61.94 0 B 1 +ATOM 1947 C CB . GLU B 1 40 ? 13.664 15.079 -11.435 1.00 55.00 0 B 1 +ATOM 1948 C CG . GLU B 1 40 ? 14.194 14.525 -12.744 1.00 60.21 0 B 1 +ATOM 1949 C CD . GLU B 1 40 ? 15.502 13.778 -12.572 1.00 62.90 0 B 1 +ATOM 1950 O OE1 . GLU B 1 40 ? 16.568 14.429 -12.577 1.00 68.20 0 B 1 +ATOM 1951 O OE2 . GLU B 1 40 ? 15.471 12.538 -12.443 1.00 66.48 0 B 1 +ATOM 1952 N N . GLY B 1 41 ? 13.457 12.695 -9.160 1.00 55.91 0 B 1 +ATOM 1953 C CA . GLY B 1 41 ? 13.873 11.392 -8.661 1.00 50.06 0 B 1 +ATOM 1954 C C . GLY B 1 41 ? 15.333 10.985 -8.568 1.00 48.42 0 B 1 +ATOM 1955 O O . GLY B 1 41 ? 15.712 10.304 -7.613 1.00 48.44 0 B 1 +ATOM 1956 N N . SER B 1 42 ? 16.152 11.382 -9.537 1.00 46.90 0 B 1 +ATOM 1957 C CA . SER B 1 42 ? 17.565 11.000 -9.556 1.00 50.18 0 B 1 +ATOM 1958 C C . SER B 1 42 ? 18.397 11.318 -8.310 1.00 46.83 0 B 1 +ATOM 1959 O O . SER B 1 42 ? 19.101 10.443 -7.802 1.00 45.75 0 B 1 +ATOM 1960 C CB . SER B 1 42 ? 18.254 11.561 -10.802 1.00 52.48 0 B 1 +ATOM 1961 O OG . SER B 1 42 ? 18.192 12.975 -10.822 1.00 59.18 0 B 1 +ATOM 1962 N N . LEU B 1 43 ? 18.326 12.559 -7.825 1.00 45.86 0 B 1 +ATOM 1963 C CA . LEU B 1 43 ? 19.088 12.968 -6.640 1.00 40.05 0 B 1 +ATOM 1964 C C . LEU B 1 43 ? 18.646 12.201 -5.389 1.00 34.71 0 B 1 +ATOM 1965 O O . LEU B 1 43 ? 19.483 11.691 -4.642 1.00 35.66 0 B 1 +ATOM 1966 C CB . LEU B 1 43 ? 18.941 14.473 -6.389 1.00 41.14 0 B 1 +ATOM 1967 C CG . LEU B 1 43 ? 20.116 15.266 -5.791 1.00 42.51 0 B 1 +ATOM 1968 C CD1 . LEU B 1 43 ? 19.560 16.342 -4.879 1.00 46.88 0 B 1 +ATOM 1969 C CD2 . LEU B 1 43 ? 21.086 14.386 -5.015 1.00 39.74 0 B 1 +ATOM 1970 N N . LYS B 1 44 ? 17.333 12.136 -5.166 1.00 26.39 0 B 1 +ATOM 1971 C CA . LYS B 1 44 ? 16.767 11.434 -4.014 1.00 29.50 0 B 1 +ATOM 1972 C C . LYS B 1 44 ? 17.281 10.002 -3.946 1.00 34.06 0 B 1 +ATOM 1973 O O . LYS B 1 44 ? 17.657 9.518 -2.880 1.00 34.77 0 B 1 +ATOM 1974 C CB . LYS B 1 44 ? 15.241 11.409 -4.106 1.00 30.20 0 B 1 +ATOM 1975 C CG . LYS B 1 44 ? 14.554 10.883 -2.859 1.00 28.73 0 B 1 +ATOM 1976 C CD . LYS B 1 44 ? 13.084 10.584 -3.116 1.00 29.18 0 B 1 +ATOM 1977 C CE . LYS B 1 44 ? 12.238 10.808 -1.871 1.00 39.73 0 B 1 +ATOM 1978 N NZ . LYS B 1 44 ? 12.829 10.214 -0.639 1.00 29.73 0 B 1 +ATOM 1979 N N . ALA B 1 45 ? 17.320 9.348 -5.105 1.00 36.39 0 B 1 +ATOM 1980 C CA . ALA B 1 45 ? 17.777 7.968 -5.217 1.00 33.03 0 B 1 +ATOM 1981 C C . ALA B 1 45 ? 19.243 7.792 -4.834 1.00 33.05 0 B 1 +ATOM 1982 O O . ALA B 1 45 ? 19.628 6.735 -4.339 1.00 39.78 0 B 1 +ATOM 1983 C CB . ALA B 1 45 ? 17.535 7.454 -6.629 1.00 35.77 0 B 1 +ATOM 1984 N N . SER B 1 46 ? 20.057 8.818 -5.064 1.00 29.59 0 B 1 +ATOM 1985 C CA . SER B 1 46 ? 21.479 8.750 -4.731 1.00 27.14 0 B 1 +ATOM 1986 C C . SER B 1 46 ? 21.775 9.115 -3.277 1.00 26.02 0 B 1 +ATOM 1987 O O . SER B 1 46 ? 22.907 8.956 -2.817 1.00 25.51 0 B 1 +ATOM 1988 C CB . SER B 1 46 ? 22.293 9.644 -5.664 1.00 29.76 0 B 1 +ATOM 1989 O OG . SER B 1 46 ? 21.881 10.995 -5.558 1.00 31.85 0 B 1 +ATOM 1990 N N . CYS B 1 47 ? 20.774 9.645 -2.575 1.00 23.30 0 B 1 +ATOM 1991 C CA . CYS B 1 47 ? 20.923 10.015 -1.166 1.00 23.13 0 B 1 +ATOM 1992 C C . CYS B 1 47 ? 20.761 8.769 -0.303 1.00 23.47 0 B 1 +ATOM 1993 O O . CYS B 1 47 ? 19.778 8.038 -0.453 1.00 21.06 0 B 1 +ATOM 1994 C CB . CYS B 1 47 ? 19.871 11.050 -0.761 1.00 25.29 0 B 1 +ATOM 1995 S SG . CYS B 1 47 ? 20.106 12.681 -1.487 1.00 28.80 0 B 1 +ATOM 1996 N N . LEU B 1 48 ? 21.702 8.558 0.619 1.00 21.12 0 B 1 +ATOM 1997 C CA . LEU B 1 48 ? 21.693 7.396 1.510 1.00 23.28 0 B 1 +ATOM 1998 C C . LEU B 1 48 ? 20.336 7.054 2.132 1.00 23.28 0 B 1 +ATOM 1999 O O . LEU B 1 48 ? 19.904 5.906 2.072 1.00 24.26 0 B 1 +ATOM 2000 C CB . LEU B 1 48 ? 22.740 7.565 2.609 1.00 20.97 0 B 1 +ATOM 2001 C CG . LEU B 1 48 ? 22.899 6.392 3.580 1.00 24.22 0 B 1 +ATOM 2002 C CD1 . LEU B 1 48 ? 23.265 5.123 2.818 1.00 20.50 0 B 1 +ATOM 2003 C CD2 . LEU B 1 48 ? 23.967 6.724 4.606 1.00 21.29 0 B 1 +ATOM 2004 N N . TYR B 1 49 ? 19.674 8.041 2.730 1.00 24.24 0 B 1 +ATOM 2005 C CA . TYR B 1 49 ? 18.364 7.817 3.347 1.00 23.71 0 B 1 +ATOM 2006 C C . TYR B 1 49 ? 17.243 8.473 2.536 1.00 27.62 0 B 1 +ATOM 2007 O O . TYR B 1 49 ? 16.103 8.592 3.013 1.00 33.21 0 B 1 +ATOM 2008 C CB . TYR B 1 49 ? 18.346 8.338 4.789 1.00 14.19 0 B 1 +ATOM 2009 C CG . TYR B 1 49 ? 19.391 7.708 5.687 1.00 12.84 0 B 1 +ATOM 2010 C CD1 . TYR B 1 49 ? 19.335 6.349 6.006 1.00 14.84 0 B 1 +ATOM 2011 C CD2 . TYR B 1 49 ? 20.433 8.468 6.223 1.00 12.74 0 B 1 +ATOM 2012 C CE1 . TYR B 1 49 ? 20.289 5.758 6.835 1.00 15.75 0 B 1 +ATOM 2013 C CE2 . TYR B 1 49 ? 21.394 7.887 7.058 1.00 15.20 0 B 1 +ATOM 2014 C CZ . TYR B 1 49 ? 21.314 6.531 7.360 1.00 17.93 0 B 1 +ATOM 2015 O OH . TYR B 1 49 ? 22.253 5.951 8.189 1.00 20.26 0 B 1 +ATOM 2016 N N . GLY B 1 50 ? 17.576 8.877 1.306 1.00 23.70 0 B 1 +ATOM 2017 C CA . GLY B 1 50 ? 16.614 9.512 0.418 1.00 24.44 0 B 1 +ATOM 2018 C C . GLY B 1 50 ? 16.169 10.891 0.867 1.00 28.77 0 B 1 +ATOM 2019 O O . GLY B 1 50 ? 15.067 11.329 0.532 1.00 27.66 0 B 1 +ATOM 2020 N N . GLN B 1 51 ? 17.017 11.577 1.633 1.00 27.20 0 B 1 +ATOM 2021 C CA . GLN B 1 51 ? 16.677 12.905 2.129 1.00 23.91 0 B 1 +ATOM 2022 C C . GLN B 1 51 ? 17.852 13.870 2.166 1.00 22.69 0 B 1 +ATOM 2023 O O . GLN B 1 51 ? 19.008 13.467 2.050 1.00 22.12 0 B 1 +ATOM 2024 C CB . GLN B 1 51 ? 16.081 12.810 3.538 1.00 23.65 0 B 1 +ATOM 2025 C CG . GLN B 1 51 ? 14.756 12.076 3.632 1.00 25.97 0 B 1 +ATOM 2026 C CD . GLN B 1 51 ? 14.127 12.226 4.994 1.00 27.56 0 B 1 +ATOM 2027 N NE2 . GLN B 1 51 ? 12.881 12.684 5.021 1.00 32.50 0 B 1 +ATOM 2028 O OE1 . GLN B 1 51 ? 14.752 11.954 6.012 1.00 27.33 0 B 1 +ATOM 2029 N N . LEU B 1 52 ? 17.528 15.153 2.307 1.00 24.08 0 B 1 +ATOM 2030 C CA . LEU B 1 52 ? 18.520 16.219 2.414 1.00 18.76 0 B 1 +ATOM 2031 C C . LEU B 1 52 ? 18.382 16.774 3.844 1.00 19.09 0 B 1 +ATOM 2032 O O . LEU B 1 52 ? 17.341 16.601 4.477 1.00 18.27 0 B 1 +ATOM 2033 C CB . LEU B 1 52 ? 18.251 17.310 1.368 1.00 17.97 0 B 1 +ATOM 2034 C CG . LEU B 1 52 ? 18.409 16.899 -0.100 1.00 17.87 0 B 1 +ATOM 2035 C CD1 . LEU B 1 52 ? 18.006 18.047 -1.017 1.00 19.92 0 B 1 +ATOM 2036 C CD2 . LEU B 1 52 ? 19.846 16.468 -0.376 1.00 18.57 0 B 1 +ATOM 2037 N N . PRO B 1 53 ? 19.382 17.522 4.340 1.00 20.60 0 B 1 +ATOM 2038 C CA . PRO B 1 53 ? 20.643 17.930 3.718 1.00 17.36 0 B 1 +ATOM 2039 C C . PRO B 1 53 ? 21.683 16.862 3.415 1.00 19.27 0 B 1 +ATOM 2040 O O . PRO B 1 53 ? 21.692 15.771 3.989 1.00 20.48 0 B 1 +ATOM 2041 C CB . PRO B 1 53 ? 21.200 18.936 4.724 1.00 19.41 0 B 1 +ATOM 2042 C CG . PRO B 1 53 ? 20.752 18.362 6.035 1.00 13.61 0 B 1 +ATOM 2043 C CD . PRO B 1 53 ? 19.311 18.013 5.731 1.00 19.95 0 B 1 +ATOM 2044 N N . LYS B 1 54 ? 22.544 17.215 2.470 1.00 20.26 0 B 1 +ATOM 2045 C CA . LYS B 1 54 ? 23.671 16.408 2.048 1.00 14.30 0 B 1 +ATOM 2046 C C . LYS B 1 54 ? 24.800 17.406 2.267 1.00 13.60 0 B 1 +ATOM 2047 O O . LYS B 1 54 ? 24.646 18.592 1.984 1.00 16.89 0 B 1 +ATOM 2048 C CB . LYS B 1 54 ? 23.562 16.044 0.568 1.00 12.46 0 B 1 +ATOM 2049 C CG . LYS B 1 54 ? 24.774 15.291 0.037 1.00 20.55 0 B 1 +ATOM 2050 C CD . LYS B 1 54 ? 24.657 15.058 -1.453 1.00 24.79 0 B 1 +ATOM 2051 C CE . LYS B 1 54 ? 25.954 14.531 -2.029 1.00 27.06 0 B 1 +ATOM 2052 N NZ . LYS B 1 54 ? 25.850 14.396 -3.504 1.00 31.26 0 B 1 +ATOM 2053 N N . PHE B 1 55 ? 25.926 16.941 2.780 1.00 13.42 0 B 1 +ATOM 2054 C CA . PHE B 1 55 ? 27.038 17.831 3.071 1.00 18.50 0 B 1 +ATOM 2055 C C . PHE B 1 55 ? 28.334 17.255 2.542 1.00 22.01 0 B 1 +ATOM 2056 O O . PHE B 1 55 ? 28.500 16.045 2.471 1.00 19.16 0 B 1 +ATOM 2057 C CB . PHE B 1 55 ? 27.124 18.023 4.588 1.00 16.41 0 B 1 +ATOM 2058 C CG . PHE B 1 55 ? 28.160 19.015 5.034 1.00 17.96 0 B 1 +ATOM 2059 C CD1 . PHE B 1 55 ? 27.916 20.383 4.952 1.00 17.52 0 B 1 +ATOM 2060 C CD2 . PHE B 1 55 ? 29.357 18.578 5.599 1.00 19.77 0 B 1 +ATOM 2061 C CE1 . PHE B 1 55 ? 28.848 21.307 5.433 1.00 11.27 0 B 1 +ATOM 2062 C CE2 . PHE B 1 55 ? 30.297 19.495 6.085 1.00 20.95 0 B 1 +ATOM 2063 C CZ . PHE B 1 55 ? 30.039 20.863 6.001 1.00 13.89 0 B 1 +ATOM 2064 N N . GLN B 1 56 ? 29.243 18.132 2.140 1.00 21.28 0 B 1 +ATOM 2065 C CA . GLN B 1 56 ? 30.529 17.700 1.635 1.00 20.79 0 B 1 +ATOM 2066 C C . GLN B 1 56 ? 31.664 18.498 2.251 1.00 23.23 0 B 1 +ATOM 2067 O O . GLN B 1 56 ? 31.611 19.723 2.347 1.00 24.14 0 B 1 +ATOM 2068 C CB . GLN B 1 56 ? 30.576 17.789 0.108 1.00 24.95 0 B 1 +ATOM 2069 C CG . GLN B 1 56 ? 29.742 16.720 -0.584 1.00 30.61 0 B 1 +ATOM 2070 C CD . GLN B 1 56 ? 29.643 16.915 -2.085 1.00 37.29 0 B 1 +ATOM 2071 N NE2 . GLN B 1 56 ? 29.414 15.824 -2.807 1.00 44.15 0 B 1 +ATOM 2072 O OE1 . GLN B 1 56 ? 29.760 18.034 -2.593 1.00 38.31 0 B 1 +ATOM 2073 N N . ASP B 1 57 ? 32.649 17.764 2.746 1.00 21.60 0 B 1 +ATOM 2074 C CA . ASP B 1 57 ? 33.839 18.329 3.344 1.00 23.99 0 B 1 +ATOM 2075 C C . ASP B 1 57 ? 34.932 17.612 2.565 1.00 27.04 0 B 1 +ATOM 2076 O O . ASP B 1 57 ? 35.308 16.486 2.898 1.00 28.71 0 B 1 +ATOM 2077 C CB . ASP B 1 57 ? 33.904 17.972 4.832 1.00 21.13 0 B 1 +ATOM 2078 C CG . ASP B 1 57 ? 35.151 18.511 5.512 1.00 29.83 0 B 1 +ATOM 2079 O OD1 . ASP B 1 57 ? 35.960 19.213 4.863 1.00 34.77 0 B 1 +ATOM 2080 O OD2 . ASP B 1 57 ? 35.323 18.240 6.716 1.00 29.43 0 B 1 +ATOM 2081 N N . GLY B 1 58 ? 35.412 18.252 1.502 1.00 28.19 0 B 1 +ATOM 2082 C CA . GLY B 1 58 ? 36.419 17.622 0.668 1.00 24.07 0 B 1 +ATOM 2083 C C . GLY B 1 58 ? 35.688 16.504 -0.049 1.00 25.17 0 B 1 +ATOM 2084 O O . GLY B 1 58 ? 34.625 16.734 -0.627 1.00 29.51 0 B 1 +ATOM 2085 N N . ASP B 1 59 ? 36.210 15.285 0.025 1.00 28.44 0 B 1 +ATOM 2086 C CA . ASP B 1 59 ? 35.540 14.163 -0.624 1.00 30.63 0 B 1 +ATOM 2087 C C . ASP B 1 59 ? 34.660 13.365 0.345 1.00 31.12 0 B 1 +ATOM 2088 O O . ASP B 1 59 ? 34.103 12.326 -0.021 1.00 33.47 0 B 1 +ATOM 2089 C CB . ASP B 1 59 ? 36.545 13.257 -1.356 1.00 31.64 0 B 1 +ATOM 2090 C CG . ASP B 1 59 ? 37.405 12.430 -0.414 1.00 27.74 0 B 1 +ATOM 2091 O OD1 . ASP B 1 59 ? 37.603 12.835 0.758 1.00 28.29 0 B 1 +ATOM 2092 O OD2 . ASP B 1 59 ? 37.898 11.372 -0.869 1.00 28.97 0 B 1 +ATOM 2093 N N . LEU B 1 60 ? 34.542 13.859 1.579 1.00 30.41 0 B 1 +ATOM 2094 C CA . LEU B 1 60 ? 33.711 13.213 2.591 1.00 23.21 0 B 1 +ATOM 2095 C C . LEU B 1 60 ? 32.281 13.697 2.385 1.00 20.38 0 B 1 +ATOM 2096 O O . LEU B 1 60 ? 32.010 14.895 2.466 1.00 15.91 0 B 1 +ATOM 2097 C CB . LEU B 1 60 ? 34.175 13.600 3.999 1.00 25.65 0 B 1 +ATOM 2098 C CG . LEU B 1 60 ? 33.950 12.636 5.174 1.00 23.20 0 B 1 +ATOM 2099 C CD1 . LEU B 1 60 ? 33.643 13.432 6.425 1.00 17.98 0 B 1 +ATOM 2100 C CD2 . LEU B 1 60 ? 32.828 11.654 4.896 1.00 16.50 0 B 1 +ATOM 2101 N N . THR B 1 61 ? 31.378 12.767 2.094 1.00 23.88 0 B 1 +ATOM 2102 C CA . THR B 1 61 ? 29.975 13.092 1.882 1.00 22.51 0 B 1 +ATOM 2103 C C . THR B 1 61 ? 29.190 12.613 3.100 1.00 23.12 0 B 1 +ATOM 2104 O O . THR B 1 61 ? 29.277 11.445 3.483 1.00 21.55 0 B 1 +ATOM 2105 C CB . THR B 1 61 ? 29.432 12.417 0.606 1.00 22.40 0 B 1 +ATOM 2106 C CG2 . THR B 1 61 ? 27.949 12.727 0.413 1.00 21.65 0 B 1 +ATOM 2107 O OG1 . THR B 1 61 ? 30.171 12.885 -0.530 1.00 24.13 0 B 1 +ATOM 2108 N N . LEU B 1 62 ? 28.434 13.525 3.704 1.00 21.64 0 B 1 +ATOM 2109 C CA . LEU B 1 62 ? 27.642 13.230 4.891 1.00 17.75 0 B 1 +ATOM 2110 C C . LEU B 1 62 ? 26.154 13.511 4.715 1.00 19.65 0 B 1 +ATOM 2111 O O . LEU B 1 62 ? 25.751 14.300 3.862 1.00 23.89 0 B 1 +ATOM 2112 C CB . LEU B 1 62 ? 28.156 14.069 6.068 1.00 11.82 0 B 1 +ATOM 2113 C CG . LEU B 1 62 ? 29.161 13.533 7.094 1.00 14.10 0 B 1 +ATOM 2114 C CD1 . LEU B 1 62 ? 29.833 12.251 6.641 1.00 11.80 0 B 1 +ATOM 2115 C CD2 . LEU B 1 62 ? 30.181 14.617 7.399 1.00 9.23 0 B 1 +ATOM 2116 N N . TYR B 1 63 ? 25.348 12.821 5.513 1.00 15.53 0 B 1 +ATOM 2117 C CA . TYR B 1 63 ? 23.902 13.007 5.536 1.00 16.00 0 B 1 +ATOM 2118 C C . TYR B 1 63 ? 23.547 13.126 7.016 1.00 16.11 0 B 1 +ATOM 2119 O O . TYR B 1 63 ? 24.398 12.882 7.872 1.00 15.17 0 B 1 +ATOM 2120 C CB . TYR B 1 63 ? 23.171 11.825 4.889 1.00 16.23 0 B 1 +ATOM 2121 C CG . TYR B 1 63 ? 23.450 11.685 3.412 1.00 15.43 0 B 1 +ATOM 2122 C CD1 . TYR B 1 63 ? 22.657 12.343 2.471 1.00 18.53 0 B 1 +ATOM 2123 C CD2 . TYR B 1 63 ? 24.521 10.918 2.952 1.00 16.61 0 B 1 +ATOM 2124 C CE1 . TYR B 1 63 ? 22.923 12.250 1.110 1.00 14.71 0 B 1 +ATOM 2125 C CE2 . TYR B 1 63 ? 24.797 10.818 1.590 1.00 18.86 0 B 1 +ATOM 2126 C CZ . TYR B 1 63 ? 23.994 11.488 0.674 1.00 17.28 0 B 1 +ATOM 2127 O OH . TYR B 1 63 ? 24.276 11.412 -0.670 1.00 22.28 0 B 1 +ATOM 2128 N N . GLN B 1 64 ? 22.310 13.522 7.310 1.00 18.33 0 B 1 +ATOM 2129 C CA . GLN B 1 64 ? 21.836 13.696 8.685 1.00 15.45 0 B 1 +ATOM 2130 C C . GLN B 1 64 ? 22.383 15.003 9.270 1.00 16.13 0 B 1 +ATOM 2131 O O . GLN B 1 64 ? 23.583 15.137 9.514 1.00 18.87 0 B 1 +ATOM 2132 C CB . GLN B 1 64 ? 22.230 12.490 9.551 1.00 17.45 0 B 1 +ATOM 2133 C CG . GLN B 1 64 ? 21.594 11.170 9.112 1.00 14.78 0 B 1 +ATOM 2134 C CD . GLN B 1 64 ? 20.127 11.068 9.493 1.00 23.27 0 B 1 +ATOM 2135 N NE2 . GLN B 1 64 ? 19.499 9.946 9.151 1.00 24.01 0 B 1 +ATOM 2136 O OE1 . GLN B 1 64 ? 19.565 11.983 10.087 1.00 24.14 0 B 1 +ATOM 2137 N N . SER B 1 65 ? 21.486 15.962 9.485 1.00 12.73 0 B 1 +ATOM 2138 C CA . SER B 1 65 ? 21.850 17.276 10.004 1.00 12.51 0 B 1 +ATOM 2139 C C . SER B 1 65 ? 22.703 17.242 11.274 1.00 11.81 0 B 1 +ATOM 2140 O O . SER B 1 65 ? 23.700 17.964 11.365 1.00 15.58 0 B 1 +ATOM 2141 C CB . SER B 1 65 ? 20.598 18.118 10.231 1.00 11.16 0 B 1 +ATOM 2142 O OG . SER B 1 65 ? 19.717 17.484 11.140 1.00 11.48 0 B 1 +ATOM 2143 N N . ASN B 1 66 ? 22.332 16.392 12.232 1.00 12.83 0 B 1 +ATOM 2144 C CA . ASN B 1 66 ? 23.085 16.286 13.484 1.00 10.07 0 B 1 +ATOM 2145 C C . ASN B 1 66 ? 24.467 15.659 13.316 1.00 8.03 0 B 1 +ATOM 2146 O O . ASN B 1 66 ? 25.384 15.963 14.080 1.00 13.88 0 B 1 +ATOM 2147 C CB . ASN B 1 66 ? 22.277 15.536 14.550 1.00 11.02 0 B 1 +ATOM 2148 C CG . ASN B 1 66 ? 21.072 16.325 15.011 1.00 4.51 0 B 1 +ATOM 2149 N ND2 . ASN B 1 66 ? 19.884 15.766 14.821 1.00 8.90 0 B 1 +ATOM 2150 O OD1 . ASN B 1 66 ? 21.211 17.435 15.525 1.00 13.67 0 B 1 +ATOM 2151 N N . THR B 1 67 ? 24.619 14.775 12.331 1.00 11.64 0 B 1 +ATOM 2152 C CA . THR B 1 67 ? 25.917 14.162 12.058 1.00 15.35 0 B 1 +ATOM 2153 C C . THR B 1 67 ? 26.813 15.281 11.531 1.00 11.18 0 B 1 +ATOM 2154 O O . THR B 1 67 ? 27.978 15.382 11.898 1.00 15.08 0 B 1 +ATOM 2155 C CB . THR B 1 67 ? 25.813 13.043 11.010 1.00 12.27 0 B 1 +ATOM 2156 C CG2 . THR B 1 67 ? 27.182 12.605 10.546 1.00 12.54 0 B 1 +ATOM 2157 O OG1 . THR B 1 67 ? 25.137 11.924 11.586 1.00 14.39 0 B 1 +ATOM 2158 N N . ILE B 1 68 ? 26.239 16.141 10.693 1.00 13.26 0 B 1 +ATOM 2159 C CA . ILE B 1 68 ? 26.965 17.275 10.130 1.00 13.39 0 B 1 +ATOM 2160 C C . ILE B 1 68 ? 27.392 18.204 11.272 1.00 14.17 0 B 1 +ATOM 2161 O O . ILE B 1 68 ? 28.549 18.622 11.333 1.00 12.19 0 B 1 +ATOM 2162 C CB . ILE B 1 68 ? 26.089 18.036 9.109 1.00 13.10 0 B 1 +ATOM 2163 C CG1 . ILE B 1 68 ? 25.690 17.090 7.972 1.00 7.65 0 B 1 +ATOM 2164 C CG2 . ILE B 1 68 ? 26.846 19.242 8.554 1.00 6.73 0 B 1 +ATOM 2165 C CD1 . ILE B 1 68 ? 24.511 17.563 7.158 1.00 11.73 0 B 1 +ATOM 2166 N N . LEU B 1 69 ? 26.470 18.492 12.192 1.00 10.14 0 B 1 +ATOM 2167 C CA . LEU B 1 69 ? 26.774 19.346 13.342 1.00 6.69 0 B 1 +ATOM 2168 C C . LEU B 1 69 ? 27.904 18.758 14.187 1.00 11.27 0 B 1 +ATOM 2169 O O . LEU B 1 69 ? 28.863 19.456 14.527 1.00 20.78 0 B 1 +ATOM 2170 C CB . LEU B 1 69 ? 25.532 19.556 14.215 1.00 8.01 0 B 1 +ATOM 2171 C CG . LEU B 1 69 ? 24.531 20.606 13.735 1.00 14.20 0 B 1 +ATOM 2172 C CD1 . LEU B 1 69 ? 23.316 20.609 14.632 1.00 8.39 0 B 1 +ATOM 2173 C CD2 . LEU B 1 69 ? 25.189 21.984 13.736 1.00 15.97 0 B 1 +ATOM 2174 N N . ARG B 1 70 ? 27.813 17.462 14.483 1.00 12.45 0 B 1 +ATOM 2175 C CA . ARG B 1 70 ? 28.833 16.794 15.287 1.00 12.81 0 B 1 +ATOM 2176 C C . ARG B 1 70 ? 30.183 16.747 14.589 1.00 14.51 0 B 1 +ATOM 2177 O O . ARG B 1 70 ? 31.228 16.885 15.230 1.00 15.19 0 B 1 +ATOM 2178 C CB . ARG B 1 70 ? 28.378 15.391 15.690 1.00 11.01 0 B 1 +ATOM 2179 C CG . ARG B 1 70 ? 27.299 15.417 16.749 1.00 9.96 0 B 1 +ATOM 2180 C CD . ARG B 1 70 ? 26.967 14.039 17.299 1.00 14.20 0 B 1 +ATOM 2181 N NE . ARG B 1 70 ? 26.195 14.177 18.530 1.00 11.80 0 B 1 +ATOM 2182 C CZ . ARG B 1 70 ? 24.867 14.161 18.600 1.00 10.51 0 B 1 +ATOM 2183 N NH1 . ARG B 1 70 ? 24.140 13.991 17.503 1.00 15.75 0 B 1 +ATOM 2184 N NH2 . ARG B 1 70 ? 24.264 14.389 19.760 1.00 13.22 0 B 1 +ATOM 2185 N N . HIS B 1 71 ? 30.154 16.584 13.270 1.00 11.07 0 B 1 +ATOM 2186 C CA . HIS B 1 71 ? 31.377 16.538 12.484 1.00 15.16 0 B 1 +ATOM 2187 C C . HIS B 1 71 ? 32.098 17.883 12.556 1.00 15.92 0 B 1 +ATOM 2188 O O . HIS B 1 71 ? 33.309 17.940 12.777 1.00 19.34 0 B 1 +ATOM 2189 C CB . HIS B 1 71 ? 31.061 16.192 11.029 1.00 15.84 0 B 1 +ATOM 2190 C CG . HIS B 1 71 ? 32.245 16.289 10.127 1.00 14.29 0 B 1 +ATOM 2191 C CD2 . HIS B 1 71 ? 32.519 17.127 9.101 1.00 12.78 0 B 1 +ATOM 2192 N ND1 . HIS B 1 71 ? 33.357 15.491 10.279 1.00 14.54 0 B 1 +ATOM 2193 C CE1 . HIS B 1 71 ? 34.270 15.836 9.388 1.00 13.26 0 B 1 +ATOM 2194 N NE2 . HIS B 1 71 ? 33.786 16.828 8.662 1.00 17.57 0 B 1 +ATOM 2195 N N . LEU B 1 72 ? 31.345 18.959 12.349 1.00 19.01 0 B 1 +ATOM 2196 C CA . LEU B 1 72 ? 31.890 20.314 12.404 1.00 19.67 0 B 1 +ATOM 2197 C C . LEU B 1 72 ? 32.360 20.642 13.825 1.00 19.24 0 B 1 +ATOM 2198 O O . LEU B 1 72 ? 33.411 21.261 14.010 1.00 16.98 0 B 1 +ATOM 2199 C CB . LEU B 1 72 ? 30.833 21.325 11.944 1.00 14.89 0 B 1 +ATOM 2200 C CG . LEU B 1 72 ? 30.828 21.810 10.486 1.00 18.28 0 B 1 +ATOM 2201 C CD1 . LEU B 1 72 ? 31.622 20.888 9.583 1.00 15.36 0 B 1 +ATOM 2202 C CD2 . LEU B 1 72 ? 29.393 21.953 9.991 1.00 3.85 0 B 1 +ATOM 2203 N N . GLY B 1 73 ? 31.594 20.197 14.821 1.00 23.32 0 B 1 +ATOM 2204 C CA . GLY B 1 73 ? 31.957 20.446 16.206 1.00 19.52 0 B 1 +ATOM 2205 C C . GLY B 1 73 ? 33.255 19.749 16.563 1.00 19.66 0 B 1 +ATOM 2206 O O . GLY B 1 73 ? 34.080 20.275 17.301 1.00 18.15 0 B 1 +ATOM 2207 N N . ARG B 1 74 ? 33.459 18.575 15.984 1.00 22.42 0 B 1 +ATOM 2208 C CA . ARG B 1 74 ? 34.656 17.789 16.232 1.00 24.70 0 B 1 +ATOM 2209 C C . ARG B 1 74 ? 35.887 18.368 15.528 1.00 24.77 0 B 1 +ATOM 2210 O O . ARG B 1 74 ? 36.944 18.524 16.140 1.00 28.09 0 B 1 +ATOM 2211 C CB . ARG B 1 74 ? 34.399 16.351 15.776 1.00 25.52 0 B 1 +ATOM 2212 C CG . ARG B 1 74 ? 35.316 15.295 16.361 1.00 24.37 0 B 1 +ATOM 2213 C CD . ARG B 1 74 ? 34.562 13.971 16.477 1.00 24.88 0 B 1 +ATOM 2214 N NE . ARG B 1 74 ? 33.709 13.769 15.313 1.00 20.78 0 B 1 +ATOM 2215 C CZ . ARG B 1 74 ? 32.470 13.288 15.352 1.00 16.49 0 B 1 +ATOM 2216 N NH1 . ARG B 1 74 ? 31.919 12.931 16.502 1.00 4.74 0 B 1 +ATOM 2217 N NH2 . ARG B 1 74 ? 31.748 13.248 14.242 1.00 20.10 0 B 1 +ATOM 2218 N N . THR B 1 75 ? 35.740 18.711 14.250 1.00 23.47 0 B 1 +ATOM 2219 C CA . THR B 1 75 ? 36.852 19.252 13.466 1.00 20.60 0 B 1 +ATOM 2220 C C . THR B 1 75 ? 37.203 20.705 13.780 1.00 20.17 0 B 1 +ATOM 2221 O O . THR B 1 75 ? 38.362 21.099 13.670 1.00 23.34 0 B 1 +ATOM 2222 C CB . THR B 1 75 ? 36.596 19.118 11.949 1.00 21.35 0 B 1 +ATOM 2223 C CG2 . THR B 1 75 ? 36.543 17.648 11.536 1.00 12.30 0 B 1 +ATOM 2224 O OG1 . THR B 1 75 ? 35.351 19.744 11.617 1.00 20.74 0 B 1 +ATOM 2225 N N . LEU B 1 76 ? 36.206 21.494 14.171 1.00 20.46 0 B 1 +ATOM 2226 C CA . LEU B 1 76 ? 36.416 22.904 14.497 1.00 15.23 0 B 1 +ATOM 2227 C C . LEU B 1 76 ? 36.640 23.192 15.986 1.00 14.91 0 B 1 +ATOM 2228 O O . LEU B 1 76 ? 36.898 24.333 16.366 1.00 19.71 0 B 1 +ATOM 2229 C CB . LEU B 1 76 ? 35.251 23.743 13.971 1.00 14.56 0 B 1 +ATOM 2230 C CG . LEU B 1 76 ? 35.359 24.339 12.566 1.00 13.06 0 B 1 +ATOM 2231 C CD1 . LEU B 1 76 ? 36.216 23.475 11.659 1.00 15.21 0 B 1 +ATOM 2232 C CD2 . LEU B 1 76 ? 33.962 24.527 11.995 1.00 15.67 0 B 1 +ATOM 2233 N N . GLY B 1 77 ? 36.537 22.160 16.822 1.00 18.34 0 B 1 +ATOM 2234 C CA . GLY B 1 77 ? 36.747 22.332 18.252 1.00 19.68 0 B 1 +ATOM 2235 C C . GLY B 1 77 ? 35.595 22.964 19.020 1.00 22.38 0 B 1 +ATOM 2236 O O . GLY B 1 77 ? 35.814 23.785 19.912 1.00 20.58 0 B 1 +ATOM 2237 N N . LEU B 1 78 ? 34.369 22.585 18.670 1.00 14.63 0 B 1 +ATOM 2238 C CA . LEU B 1 78 ? 33.165 23.092 19.325 1.00 16.75 0 B 1 +ATOM 2239 C C . LEU B 1 78 ? 32.432 21.911 19.972 1.00 17.07 0 B 1 +ATOM 2240 O O . LEU B 1 78 ? 31.208 21.791 19.861 1.00 12.61 0 B 1 +ATOM 2241 C CB . LEU B 1 78 ? 32.247 23.751 18.288 1.00 15.81 0 B 1 +ATOM 2242 C CG . LEU B 1 78 ? 32.854 24.715 17.265 1.00 15.15 0 B 1 +ATOM 2243 C CD1 . LEU B 1 78 ? 31.762 25.193 16.324 1.00 16.96 0 B 1 +ATOM 2244 C CD2 . LEU B 1 78 ? 33.512 25.889 17.962 1.00 7.14 0 B 1 +ATOM 2245 N N . TYR B 1 79 ? 33.180 21.071 20.686 1.00 19.46 0 B 1 +ATOM 2246 C CA . TYR B 1 79 ? 32.618 19.874 21.312 1.00 19.01 0 B 1 +ATOM 2247 C C . TYR B 1 79 ? 33.033 19.698 22.782 1.00 21.35 0 B 1 +ATOM 2248 O O . TYR B 1 79 ? 33.209 18.571 23.251 1.00 22.00 0 B 1 +ATOM 2249 C CB . TYR B 1 79 ? 33.076 18.653 20.502 1.00 18.89 0 B 1 +ATOM 2250 C CG . TYR B 1 79 ? 32.037 17.573 20.309 1.00 10.76 0 B 1 +ATOM 2251 C CD1 . TYR B 1 79 ? 31.193 17.188 21.353 1.00 9.22 0 B 1 +ATOM 2252 C CD2 . TYR B 1 79 ? 31.906 16.929 19.079 1.00 7.06 0 B 1 +ATOM 2253 C CE1 . TYR B 1 79 ? 30.243 16.189 21.177 1.00 11.72 0 B 1 +ATOM 2254 C CE2 . TYR B 1 79 ? 30.960 15.927 18.891 1.00 7.18 0 B 1 +ATOM 2255 C CZ . TYR B 1 79 ? 30.129 15.563 19.946 1.00 13.15 0 B 1 +ATOM 2256 O OH . TYR B 1 79 ? 29.176 14.589 19.760 1.00 15.08 0 B 1 +ATOM 2257 N N . GLY B 1 80 ? 33.160 20.807 23.508 1.00 19.80 0 B 1 +ATOM 2258 C CA . GLY B 1 80 ? 33.561 20.748 24.908 1.00 12.19 0 B 1 +ATOM 2259 C C . GLY B 1 80 ? 35.066 20.664 25.082 1.00 15.73 0 B 1 +ATOM 2260 O O . GLY B 1 80 ? 35.788 20.366 24.130 1.00 15.99 0 B 1 +ATOM 2261 N N . LYS B 1 81 ? 35.547 20.902 26.299 1.00 14.72 0 B 1 +ATOM 2262 C CA . LYS B 1 81 ? 36.982 20.858 26.564 1.00 22.97 0 B 1 +ATOM 2263 C C . LYS B 1 81 ? 37.467 19.447 26.886 1.00 19.89 0 B 1 +ATOM 2264 O O . LYS B 1 81 ? 38.660 19.159 26.798 1.00 19.25 0 B 1 +ATOM 2265 C CB . LYS B 1 81 ? 37.359 21.824 27.693 1.00 30.55 0 B 1 +ATOM 2266 C CG . LYS B 1 81 ? 36.887 21.391 29.062 1.00 31.93 0 B 1 +ATOM 2267 C CD . LYS B 1 81 ? 37.378 22.337 30.143 1.00 37.60 0 B 1 +ATOM 2268 C CE . LYS B 1 81 ? 37.171 21.740 31.527 1.00 40.93 0 B 1 +ATOM 2269 N NZ . LYS B 1 81 ? 35.744 21.403 31.797 1.00 51.28 0 B 1 +ATOM 2270 N N . ASP B 1 82 ? 36.541 18.570 27.260 1.00 21.42 0 B 1 +ATOM 2271 C CA . ASP B 1 82 ? 36.883 17.188 27.580 1.00 25.99 0 B 1 +ATOM 2272 C C . ASP B 1 82 ? 35.704 16.241 27.343 1.00 21.69 0 B 1 +ATOM 2273 O O . ASP B 1 82 ? 34.642 16.671 26.892 1.00 16.34 0 B 1 +ATOM 2274 C CB . ASP B 1 82 ? 37.418 17.072 29.019 1.00 25.13 0 B 1 +ATOM 2275 C CG . ASP B 1 82 ? 36.453 17.617 30.071 1.00 23.40 0 B 1 +ATOM 2276 O OD1 . ASP B 1 82 ? 35.220 17.546 29.888 1.00 24.50 0 B 1 +ATOM 2277 O OD2 . ASP B 1 82 ? 36.942 18.108 31.108 1.00 28.21 0 B 1 +ATOM 2278 N N . GLN B 1 83 ? 35.884 14.960 27.665 1.00 18.02 0 B 1 +ATOM 2279 C CA . GLN B 1 83 ? 34.834 13.962 27.465 1.00 20.57 0 B 1 +ATOM 2280 C C . GLN B 1 83 ? 33.572 14.230 28.261 1.00 22.09 0 B 1 +ATOM 2281 O O . GLN B 1 83 ? 32.466 14.012 27.765 1.00 17.96 0 B 1 +ATOM 2282 C CB . GLN B 1 83 ? 35.340 12.555 27.766 1.00 23.75 0 B 1 +ATOM 2283 C CG . GLN B 1 83 ? 36.347 12.027 26.760 1.00 32.41 0 B 1 +ATOM 2284 C CD . GLN B 1 83 ? 36.828 10.626 27.100 1.00 33.11 0 B 1 +ATOM 2285 N NE2 . GLN B 1 83 ? 36.837 10.292 28.390 1.00 31.37 0 B 1 +ATOM 2286 O OE1 . GLN B 1 83 ? 37.203 9.861 26.217 1.00 31.05 0 B 1 +ATOM 2287 N N . GLN B 1 84 ? 33.729 14.703 29.492 1.00 22.56 0 B 1 +ATOM 2288 C CA . GLN B 1 84 ? 32.572 15.001 30.328 1.00 24.05 0 B 1 +ATOM 2289 C C . GLN B 1 84 ? 31.706 16.068 29.664 1.00 23.71 0 B 1 +ATOM 2290 O O . GLN B 1 84 ? 30.487 15.904 29.555 1.00 23.56 0 B 1 +ATOM 2291 C CB . GLN B 1 84 ? 33.003 15.462 31.721 1.00 28.26 0 B 1 +ATOM 2292 C CG . GLN B 1 84 ? 31.832 15.842 32.616 1.00 37.55 0 B 1 +ATOM 2293 C CD . GLN B 1 84 ? 32.243 16.103 34.049 1.00 43.75 0 B 1 +ATOM 2294 N NE2 . GLN B 1 84 ? 31.713 17.174 34.631 1.00 50.73 0 B 1 +ATOM 2295 O OE1 . GLN B 1 84 ? 33.021 15.347 34.629 1.00 44.98 0 B 1 +ATOM 2296 N N . GLU B 1 85 ? 32.346 17.141 29.197 1.00 16.23 0 B 1 +ATOM 2297 C CA . GLU B 1 85 ? 31.629 18.223 28.526 1.00 17.26 0 B 1 +ATOM 2298 C C . GLU B 1 85 ? 31.038 17.732 27.213 1.00 17.00 0 B 1 +ATOM 2299 O O . GLU B 1 85 ? 29.926 18.118 26.856 1.00 18.48 0 B 1 +ATOM 2300 C CB . GLU B 1 85 ? 32.541 19.426 28.269 1.00 15.96 0 B 1 +ATOM 2301 C CG . GLU B 1 85 ? 33.034 20.106 29.532 1.00 18.26 0 B 1 +ATOM 2302 C CD . GLU B 1 85 ? 33.398 21.567 29.325 1.00 19.69 0 B 1 +ATOM 2303 O OE1 . GLU B 1 85 ? 33.661 21.982 28.173 1.00 14.25 0 B 1 +ATOM 2304 O OE2 . GLU B 1 85 ? 33.404 22.308 30.332 1.00 21.88 0 B 1 +ATOM 2305 N N . ALA B 1 86 ? 31.776 16.866 26.514 1.00 10.35 0 B 1 +ATOM 2306 C CA . ALA B 1 86 ? 31.319 16.303 25.245 1.00 12.38 0 B 1 +ATOM 2307 C C . ALA B 1 86 ? 30.008 15.557 25.452 1.00 15.80 0 B 1 +ATOM 2308 O O . ALA B 1 86 ? 29.086 15.662 24.636 1.00 19.57 0 B 1 +ATOM 2309 C CB . ALA B 1 86 ? 32.370 15.372 24.672 1.00 8.65 0 B 1 +ATOM 2310 N N . ALA B 1 87 ? 29.919 14.829 26.565 1.00 10.48 0 B 1 +ATOM 2311 C CA . ALA B 1 87 ? 28.711 14.078 26.897 1.00 11.28 0 B 1 +ATOM 2312 C C . ALA B 1 87 ? 27.547 15.033 27.175 1.00 10.81 0 B 1 +ATOM 2313 O O . ALA B 1 87 ? 26.414 14.784 26.757 1.00 8.81 0 B 1 +ATOM 2314 C CB . ALA B 1 87 ? 28.963 13.181 28.101 1.00 8.50 0 B 1 +ATOM 2315 N N . LEU B 1 88 ? 27.836 16.138 27.862 1.00 15.07 0 B 1 +ATOM 2316 C CA . LEU B 1 88 ? 26.813 17.132 28.189 1.00 15.81 0 B 1 +ATOM 2317 C C . LEU B 1 88 ? 26.309 17.856 26.939 1.00 14.54 0 B 1 +ATOM 2318 O O . LEU B 1 88 ? 25.115 18.135 26.813 1.00 21.48 0 B 1 +ATOM 2319 C CB . LEU B 1 88 ? 27.346 18.130 29.221 1.00 12.21 0 B 1 +ATOM 2320 C CG . LEU B 1 88 ? 27.814 17.500 30.538 1.00 16.17 0 B 1 +ATOM 2321 C CD1 . LEU B 1 88 ? 28.291 18.577 31.499 1.00 11.56 0 B 1 +ATOM 2322 C CD2 . LEU B 1 88 ? 26.685 16.686 31.159 1.00 4.00 0 B 1 +ATOM 2323 N N . VAL B 1 89 ? 27.222 18.129 26.006 1.00 14.12 0 B 1 +ATOM 2324 C CA . VAL B 1 89 ? 26.884 18.790 24.745 1.00 10.84 0 B 1 +ATOM 2325 C C . VAL B 1 89 ? 25.902 17.905 23.963 1.00 12.72 0 B 1 +ATOM 2326 O O . VAL B 1 89 ? 24.910 18.398 23.412 1.00 12.31 0 B 1 +ATOM 2327 C CB . VAL B 1 89 ? 28.152 19.048 23.890 1.00 13.04 0 B 1 +ATOM 2328 C CG1 . VAL B 1 89 ? 27.769 19.597 22.529 1.00 14.12 0 B 1 +ATOM 2329 C CG2 . VAL B 1 89 ? 29.079 20.024 24.603 1.00 9.48 0 B 1 +ATOM 2330 N N . ASP B 1 90 ? 26.182 16.598 23.937 1.00 13.04 0 B 1 +ATOM 2331 C CA . ASP B 1 90 ? 25.326 15.624 23.261 1.00 12.60 0 B 1 +ATOM 2332 C C . ASP B 1 90 ? 23.949 15.585 23.907 1.00 14.82 0 B 1 +ATOM 2333 O O . ASP B 1 90 ? 22.933 15.535 23.218 1.00 16.20 0 B 1 +ATOM 2334 C CB . ASP B 1 90 ? 25.940 14.218 23.323 1.00 14.73 0 B 1 +ATOM 2335 C CG . ASP B 1 90 ? 27.019 14.002 22.289 1.00 8.94 0 B 1 +ATOM 2336 O OD1 . ASP B 1 90 ? 26.959 14.637 21.213 1.00 11.82 0 B 1 +ATOM 2337 O OD2 . ASP B 1 90 ? 27.936 13.204 22.566 1.00 10.48 0 B 1 +ATOM 2338 N N . MET B 1 91 ? 23.924 15.588 25.238 1.00 15.38 0 B 1 +ATOM 2339 C CA . MET B 1 91 ? 22.672 15.555 25.986 1.00 9.69 0 B 1 +ATOM 2340 C C . MET B 1 91 ? 21.813 16.771 25.659 1.00 6.22 0 B 1 +ATOM 2341 O O . MET B 1 91 ? 20.588 16.663 25.543 1.00 9.91 0 B 1 +ATOM 2342 C CB . MET B 1 91 ? 22.956 15.477 27.488 1.00 7.41 0 B 1 +ATOM 2343 C CG . MET B 1 91 ? 21.707 15.396 28.351 1.00 14.08 0 B 1 +ATOM 2344 S SD . MET B 1 91 ? 22.102 15.155 30.091 1.00 21.25 0 B 1 +ATOM 2345 C CE . MET B 1 91 ? 23.017 16.647 30.464 1.00 26.47 0 B 1 +ATOM 2346 N N . VAL B 1 92 ? 22.458 17.927 25.515 1.00 9.36 0 B 1 +ATOM 2347 C CA . VAL B 1 92 ? 21.746 19.157 25.170 1.00 8.98 0 B 1 +ATOM 2348 C C . VAL B 1 92 ? 21.214 19.040 23.741 1.00 9.84 0 B 1 +ATOM 2349 O O . VAL B 1 92 ? 20.031 19.262 23.500 1.00 9.20 0 B 1 +ATOM 2350 C CB . VAL B 1 92 ? 22.671 20.407 25.281 1.00 9.32 0 B 1 +ATOM 2351 C CG1 . VAL B 1 92 ? 21.952 21.644 24.752 1.00 11.47 0 B 1 +ATOM 2352 C CG2 . VAL B 1 92 ? 23.086 20.631 26.732 1.00 5.81 0 B 1 +ATOM 2353 N N . ASN B 1 93 ? 22.072 18.629 22.808 1.00 11.65 0 B 1 +ATOM 2354 C CA . ASN B 1 93 ? 21.668 18.489 21.410 1.00 10.26 0 B 1 +ATOM 2355 C C . ASN B 1 93 ? 20.535 17.488 21.208 1.00 14.69 0 B 1 +ATOM 2356 O O . ASN B 1 93 ? 19.615 17.745 20.426 1.00 16.87 0 B 1 +ATOM 2357 C CB . ASN B 1 93 ? 22.855 18.117 20.516 1.00 11.24 0 B 1 +ATOM 2358 C CG . ASN B 1 93 ? 22.628 18.539 19.071 1.00 13.05 0 B 1 +ATOM 2359 N ND2 . ASN B 1 93 ? 22.480 17.570 18.173 1.00 9.83 0 B 1 +ATOM 2360 O OD1 . ASN B 1 93 ? 22.579 19.731 18.777 1.00 14.43 0 B 1 +ATOM 2361 N N . ASP B 1 94 ? 20.599 16.355 21.910 1.00 12.39 0 B 1 +ATOM 2362 C CA . ASP B 1 94 ? 19.549 15.339 21.806 1.00 9.81 0 B 1 +ATOM 2363 C C . ASP B 1 94 ? 18.238 15.923 22.316 1.00 10.61 0 B 1 +ATOM 2364 O O . ASP B 1 94 ? 17.166 15.611 21.793 1.00 8.62 0 B 1 +ATOM 2365 C CB . ASP B 1 94 ? 19.918 14.083 22.604 1.00 12.52 0 B 1 +ATOM 2366 C CG . ASP B 1 94 ? 21.011 13.259 21.939 1.00 16.62 0 B 1 +ATOM 2367 O OD1 . ASP B 1 94 ? 21.498 13.644 20.856 1.00 18.12 0 B 1 +ATOM 2368 O OD2 . ASP B 1 94 ? 21.404 12.224 22.509 1.00 23.08 0 B 1 +ATOM 2369 N N . GLY B 1 95 ? 18.336 16.778 23.333 1.00 7.99 0 B 1 +ATOM 2370 C CA . GLY B 1 95 ? 17.158 17.425 23.879 1.00 13.24 0 B 1 +ATOM 2371 C C . GLY B 1 95 ? 16.588 18.374 22.842 1.00 13.84 0 B 1 +ATOM 2372 O O . GLY B 1 95 ? 15.378 18.397 22.616 1.00 9.20 0 B 1 +ATOM 2373 N N . VAL B 1 96 ? 17.463 19.141 22.190 1.00 12.03 0 B 1 +ATOM 2374 C CA . VAL B 1 96 ? 17.038 20.080 21.154 1.00 13.90 0 B 1 +ATOM 2375 C C . VAL B 1 96 ? 16.352 19.311 20.018 1.00 13.45 0 B 1 +ATOM 2376 O O . VAL B 1 96 ? 15.270 19.694 19.564 1.00 19.59 0 B 1 +ATOM 2377 C CB . VAL B 1 96 ? 18.241 20.868 20.583 1.00 17.15 0 B 1 +ATOM 2378 C CG1 . VAL B 1 96 ? 17.815 21.698 19.370 1.00 15.07 0 B 1 +ATOM 2379 C CG2 . VAL B 1 96 ? 18.839 21.762 21.660 1.00 14.81 0 B 1 +ATOM 2380 N N . GLU B 1 97 ? 16.970 18.204 19.602 1.00 14.37 0 B 1 +ATOM 2381 C CA . GLU B 1 97 ? 16.447 17.363 18.527 1.00 16.17 0 B 1 +ATOM 2382 C C . GLU B 1 97 ? 15.045 16.827 18.829 1.00 12.68 0 B 1 +ATOM 2383 O O . GLU B 1 97 ? 14.189 16.795 17.943 1.00 19.00 0 B 1 +ATOM 2384 C CB . GLU B 1 97 ? 17.425 16.217 18.231 1.00 11.80 0 B 1 +ATOM 2385 C CG . GLU B 1 97 ? 16.930 15.182 17.217 1.00 13.83 0 B 1 +ATOM 2386 C CD . GLU B 1 97 ? 16.542 15.782 15.868 1.00 17.77 0 B 1 +ATOM 2387 O OE1 . GLU B 1 97 ? 17.213 16.728 15.403 1.00 15.40 0 B 1 +ATOM 2388 O OE2 . GLU B 1 97 ? 15.558 15.300 15.270 1.00 15.58 0 B 1 +ATOM 2389 N N . ASP B 1 98 ? 14.811 16.422 20.078 1.00 12.38 0 B 1 +ATOM 2390 C CA . ASP B 1 98 ? 13.501 15.916 20.485 1.00 13.84 0 B 1 +ATOM 2391 C C . ASP B 1 98 ? 12.428 16.985 20.324 1.00 13.89 0 B 1 +ATOM 2392 O O . ASP B 1 98 ? 11.354 16.722 19.773 1.00 10.86 0 B 1 +ATOM 2393 C CB . ASP B 1 98 ? 13.523 15.428 21.941 1.00 16.79 0 B 1 +ATOM 2394 C CG . ASP B 1 98 ? 14.125 14.036 22.094 1.00 15.21 0 B 1 +ATOM 2395 O OD1 . ASP B 1 98 ? 14.294 13.323 21.080 1.00 16.02 0 B 1 +ATOM 2396 O OD2 . ASP B 1 98 ? 14.436 13.658 23.242 1.00 23.06 0 B 1 +ATOM 2397 N N . LEU B 1 99 ? 12.712 18.192 20.808 1.00 14.52 0 B 1 +ATOM 2398 C CA . LEU B 1 99 ? 11.748 19.283 20.691 1.00 15.45 0 B 1 +ATOM 2399 C C . LEU B 1 99 ? 11.590 19.711 19.229 1.00 13.07 0 B 1 +ATOM 2400 O O . LEU B 1 99 ? 10.497 20.071 18.801 1.00 12.12 0 B 1 +ATOM 2401 C CB . LEU B 1 99 ? 12.147 20.466 21.576 1.00 13.16 0 B 1 +ATOM 2402 C CG . LEU B 1 99 ? 11.181 21.659 21.589 1.00 18.42 0 B 1 +ATOM 2403 C CD1 . LEU B 1 99 ? 9.746 21.199 21.787 1.00 15.59 0 B 1 +ATOM 2404 C CD2 . LEU B 1 99 ? 11.587 22.628 22.685 1.00 14.72 0 B 1 +ATOM 2405 N N . ARG B 1 100 ? 12.669 19.625 18.457 1.00 11.33 0 B 1 +ATOM 2406 C CA . ARG B 1 100 ? 12.616 19.991 17.044 1.00 14.66 0 B 1 +ATOM 2407 C C . ARG B 1 100 ? 11.662 19.064 16.289 1.00 14.20 0 B 1 +ATOM 2408 O O . ARG B 1 100 ? 10.905 19.522 15.438 1.00 18.91 0 B 1 +ATOM 2409 C CB . ARG B 1 100 ? 14.010 19.963 16.409 1.00 12.71 0 B 1 +ATOM 2410 C CG . ARG B 1 100 ? 14.030 20.509 14.987 1.00 7.31 0 B 1 +ATOM 2411 C CD . ARG B 1 100 ? 15.426 20.507 14.384 1.00 6.50 0 B 1 +ATOM 2412 N NE . ARG B 1 100 ? 16.329 21.450 15.044 1.00 11.92 0 B 1 +ATOM 2413 C CZ . ARG B 1 100 ? 16.341 22.765 14.831 1.00 13.14 0 B 1 +ATOM 2414 N NH1 . ARG B 1 100 ? 15.489 23.318 13.972 1.00 15.16 0 B 1 +ATOM 2415 N NH2 . ARG B 1 100 ? 17.218 23.530 15.469 1.00 11.67 0 B 1 +ATOM 2416 N N . CYS B 1 101 ? 11.678 17.770 16.622 1.00 7.87 0 B 1 +ATOM 2417 C CA . CYS B 1 101 ? 10.790 16.800 15.979 1.00 13.00 0 B 1 +ATOM 2418 C C . CYS B 1 101 ? 9.335 17.124 16.262 1.00 13.01 0 B 1 +ATOM 2419 O O . CYS B 1 101 ? 8.483 16.982 15.386 1.00 14.91 0 B 1 +ATOM 2420 C CB . CYS B 1 101 ? 11.092 15.375 16.441 1.00 14.48 0 B 1 +ATOM 2421 S SG . CYS B 1 101 ? 12.566 14.679 15.689 1.00 22.37 0 B 1 +ATOM 2422 N N . LYS B 1 102 ? 9.052 17.550 17.489 1.00 11.28 0 B 1 +ATOM 2423 C CA . LYS B 1 102 ? 7.690 17.910 17.868 1.00 10.20 0 B 1 +ATOM 2424 C C . LYS B 1 102 ? 7.270 19.145 17.081 1.00 12.22 0 B 1 +ATOM 2425 O O . LYS B 1 102 ? 6.141 19.227 16.605 1.00 20.46 0 B 1 +ATOM 2426 C CB . LYS B 1 102 ? 7.607 18.191 19.366 1.00 15.62 0 B 1 +ATOM 2427 C CG . LYS B 1 102 ? 7.880 16.969 20.214 1.00 22.65 0 B 1 +ATOM 2428 C CD . LYS B 1 102 ? 7.819 17.294 21.684 1.00 26.22 0 B 1 +ATOM 2429 C CE . LYS B 1 102 ? 8.025 16.044 22.512 1.00 31.09 0 B 1 +ATOM 2430 N NZ . LYS B 1 102 ? 8.034 16.358 23.964 1.00 37.97 0 B 1 +ATOM 2431 N N . TYR B 1 103 ? 8.198 20.090 16.935 1.00 16.57 0 B 1 +ATOM 2432 C CA . TYR B 1 103 ? 7.954 21.321 16.190 1.00 14.18 0 B 1 +ATOM 2433 C C . TYR B 1 103 ? 7.651 20.977 14.733 1.00 17.86 0 B 1 +ATOM 2434 O O . TYR B 1 103 ? 6.667 21.450 14.167 1.00 23.77 0 B 1 +ATOM 2435 C CB . TYR B 1 103 ? 9.184 22.241 16.271 1.00 19.00 0 B 1 +ATOM 2436 C CG . TYR B 1 103 ? 9.153 23.430 15.325 1.00 22.64 0 B 1 +ATOM 2437 C CD1 . TYR B 1 103 ? 8.483 24.602 15.671 1.00 16.72 0 B 1 +ATOM 2438 C CD2 . TYR B 1 103 ? 9.793 23.384 14.084 1.00 15.31 0 B 1 +ATOM 2439 C CE1 . TYR B 1 103 ? 8.447 25.700 14.812 1.00 16.96 0 B 1 +ATOM 2440 C CE2 . TYR B 1 103 ? 9.761 24.482 13.213 1.00 16.72 0 B 1 +ATOM 2441 C CZ . TYR B 1 103 ? 9.086 25.636 13.587 1.00 15.87 0 B 1 +ATOM 2442 O OH . TYR B 1 103 ? 9.052 26.724 12.741 1.00 16.12 0 B 1 +ATOM 2443 N N . ILE B 1 104 ? 8.495 20.132 14.145 1.00 16.36 0 B 1 +ATOM 2444 C CA . ILE B 1 104 ? 8.338 19.704 12.761 1.00 11.43 0 B 1 +ATOM 2445 C C . ILE B 1 104 ? 7.009 18.978 12.564 1.00 16.27 0 B 1 +ATOM 2446 O O . ILE B 1 104 ? 6.310 19.200 11.577 1.00 21.02 0 B 1 +ATOM 2447 C CB . ILE B 1 104 ? 9.524 18.809 12.332 1.00 15.23 0 B 1 +ATOM 2448 C CG1 . ILE B 1 104 ? 10.794 19.659 12.248 1.00 13.26 0 B 1 +ATOM 2449 C CG2 . ILE B 1 104 ? 9.239 18.129 10.989 1.00 16.32 0 B 1 +ATOM 2450 C CD1 . ILE B 1 104 ? 12.059 18.852 12.096 1.00 5.97 0 B 1 +ATOM 2451 N N . SER B 1 105 ? 6.647 18.138 13.528 1.00 19.94 0 B 1 +ATOM 2452 C CA . SER B 1 105 ? 5.395 17.401 13.455 1.00 22.11 0 B 1 +ATOM 2453 C C . SER B 1 105 ? 4.225 18.376 13.427 1.00 20.95 0 B 1 +ATOM 2454 O O . SER B 1 105 ? 3.277 18.187 12.676 1.00 12.98 0 B 1 +ATOM 2455 C CB . SER B 1 105 ? 5.260 16.454 14.646 1.00 22.80 0 B 1 +ATOM 2456 O OG . SER B 1 105 ? 4.076 15.684 14.542 1.00 28.87 0 B 1 +ATOM 2457 N N . LEU B 1 106 ? 4.302 19.428 14.238 1.00 19.90 0 B 1 +ATOM 2458 C CA . LEU B 1 106 ? 3.243 20.435 14.283 1.00 21.12 0 B 1 +ATOM 2459 C C . LEU B 1 106 ? 3.116 21.168 12.946 1.00 19.03 0 B 1 +ATOM 2460 O O . LEU B 1 106 ? 2.035 21.234 12.363 1.00 22.25 0 B 1 +ATOM 2461 C CB . LEU B 1 106 ? 3.521 21.456 15.390 1.00 20.42 0 B 1 +ATOM 2462 C CG . LEU B 1 106 ? 2.609 22.690 15.396 1.00 21.59 0 B 1 +ATOM 2463 C CD1 . LEU B 1 106 ? 1.190 22.296 15.764 1.00 15.85 0 B 1 +ATOM 2464 C CD2 . LEU B 1 106 ? 3.136 23.722 16.366 1.00 18.89 0 B 1 +ATOM 2465 N N . ILE B 1 107 ? 4.238 21.706 12.475 1.00 19.23 0 B 1 +ATOM 2466 C CA . ILE B 1 107 ? 4.301 22.455 11.222 1.00 19.98 0 B 1 +ATOM 2467 C C . ILE B 1 107 ? 3.781 21.697 9.996 1.00 18.68 0 B 1 +ATOM 2468 O O . ILE B 1 107 ? 2.953 22.214 9.241 1.00 21.89 0 B 1 +ATOM 2469 C CB . ILE B 1 107 ? 5.750 22.927 10.947 1.00 22.31 0 B 1 +ATOM 2470 C CG1 . ILE B 1 107 ? 6.208 23.887 12.046 1.00 16.47 0 B 1 +ATOM 2471 C CG2 . ILE B 1 107 ? 5.851 23.592 9.585 1.00 22.52 0 B 1 +ATOM 2472 C CD1 . ILE B 1 107 ? 5.366 25.145 12.168 1.00 13.73 0 B 1 +ATOM 2473 N N . TYR B 1 108 ? 4.242 20.464 9.824 1.00 17.22 0 B 1 +ATOM 2474 C CA . TYR B 1 108 ? 3.856 19.651 8.679 1.00 20.06 0 B 1 +ATOM 2475 C C . TYR B 1 108 ? 2.638 18.741 8.828 1.00 21.94 0 B 1 +ATOM 2476 O O . TYR B 1 108 ? 2.021 18.380 7.832 1.00 28.10 0 B 1 +ATOM 2477 C CB . TYR B 1 108 ? 5.061 18.830 8.210 1.00 20.75 0 B 1 +ATOM 2478 C CG . TYR B 1 108 ? 6.208 19.676 7.688 1.00 20.47 0 B 1 +ATOM 2479 C CD1 . TYR B 1 108 ? 6.221 20.125 6.366 1.00 19.86 0 B 1 +ATOM 2480 C CD2 . TYR B 1 108 ? 7.282 20.026 8.508 1.00 22.86 0 B 1 +ATOM 2481 C CE1 . TYR B 1 108 ? 7.282 20.904 5.867 1.00 14.96 0 B 1 +ATOM 2482 C CE2 . TYR B 1 108 ? 8.347 20.806 8.020 1.00 24.86 0 B 1 +ATOM 2483 C CZ . TYR B 1 108 ? 8.341 21.240 6.698 1.00 22.75 0 B 1 +ATOM 2484 O OH . TYR B 1 108 ? 9.388 22.002 6.214 1.00 26.87 0 B 1 +ATOM 2485 N N . THR B 1 109 ? 2.273 18.393 10.056 1.00 27.30 0 B 1 +ATOM 2486 C CA . THR B 1 109 ? 1.141 17.493 10.283 1.00 30.81 0 B 1 +ATOM 2487 C C . THR B 1 109 ? -0.188 18.145 10.656 1.00 30.77 0 B 1 +ATOM 2488 O O . THR B 1 109 ? -1.214 17.829 10.052 1.00 30.62 0 B 1 +ATOM 2489 C CB . THR B 1 109 ? 1.513 16.391 11.303 1.00 29.42 0 B 1 +ATOM 2490 C CG2 . THR B 1 109 ? 0.307 15.529 11.661 1.00 36.15 0 B 1 +ATOM 2491 O OG1 . THR B 1 109 ? 2.545 15.570 10.741 1.00 35.24 0 B 1 +ATOM 2492 N N . ASN B 1 110 ? -0.187 19.046 11.634 1.00 28.95 0 B 1 +ATOM 2493 C CA . ASN B 1 110 ? -1.432 19.699 12.038 1.00 33.26 0 B 1 +ATOM 2494 C C . ASN B 1 110 ? -1.225 21.057 12.703 1.00 32.66 0 B 1 +ATOM 2495 O O . ASN B 1 110 ? -1.492 21.239 13.894 1.00 30.82 0 B 1 +ATOM 2496 C CB . ASN B 1 110 ? -2.274 18.769 12.929 1.00 38.70 0 B 1 +ATOM 2497 C CG . ASN B 1 110 ? -1.624 18.477 14.272 1.00 40.80 0 B 1 +ATOM 2498 N ND2 . ASN B 1 110 ? -0.291 18.437 14.304 1.00 41.82 0 B 1 +ATOM 2499 O OD1 . ASN B 1 110 ? -2.316 18.297 15.273 1.00 39.91 0 B 1 +ATOM 2500 N N . TYR B 1 111 ? -0.765 22.016 11.905 1.00 32.60 0 B 1 +ATOM 2501 C CA . TYR B 1 111 ? -0.513 23.365 12.382 1.00 31.75 0 B 1 +ATOM 2502 C C . TYR B 1 111 ? -1.771 24.047 12.921 1.00 31.60 0 B 1 +ATOM 2503 O O . TYR B 1 111 ? -1.804 24.479 14.073 1.00 33.61 0 B 1 +ATOM 2504 C CB . TYR B 1 111 ? 0.096 24.206 11.261 1.00 24.96 0 B 1 +ATOM 2505 C CG . TYR B 1 111 ? 0.426 25.621 11.673 1.00 27.87 0 B 1 +ATOM 2506 C CD1 . TYR B 1 111 ? 1.664 25.932 12.233 1.00 29.51 0 B 1 +ATOM 2507 C CD2 . TYR B 1 111 ? -0.505 26.647 11.520 1.00 25.98 0 B 1 +ATOM 2508 C CE1 . TYR B 1 111 ? 1.966 27.231 12.632 1.00 30.27 0 B 1 +ATOM 2509 C CE2 . TYR B 1 111 ? -0.215 27.947 11.918 1.00 23.37 0 B 1 +ATOM 2510 C CZ . TYR B 1 111 ? 1.021 28.232 12.473 1.00 30.66 0 B 1 +ATOM 2511 O OH . TYR B 1 111 ? 1.304 29.514 12.883 1.00 31.25 0 B 1 +ATOM 2512 N N . GLU B 1 112 ? -2.799 24.128 12.081 1.00 37.95 0 B 1 +ATOM 2513 C CA . GLU B 1 112 ? -4.061 24.774 12.438 1.00 40.32 0 B 1 +ATOM 2514 C C . GLU B 1 112 ? -4.682 24.216 13.704 1.00 39.96 0 B 1 +ATOM 2515 O O . GLU B 1 112 ? -4.957 24.955 14.646 1.00 37.48 0 B 1 +ATOM 2516 C CB . GLU B 1 112 ? -5.072 24.656 11.293 1.00 45.58 0 B 1 +ATOM 2517 C CG . GLU B 1 112 ? -4.747 25.487 10.056 1.00 57.87 0 B 1 +ATOM 2518 C CD . GLU B 1 112 ? -3.492 25.022 9.329 1.00 66.43 0 B 1 +ATOM 2519 O OE1 . GLU B 1 112 ? -3.303 23.796 9.158 1.00 69.25 0 B 1 +ATOM 2520 O OE2 . GLU B 1 112 ? -2.683 25.888 8.932 1.00 70.22 0 B 1 +ATOM 2521 N N . ALA B 1 113 ? -4.875 22.902 13.721 1.00 39.61 0 B 1 +ATOM 2522 C CA . ALA B 1 113 ? -5.482 22.224 14.855 1.00 39.70 0 B 1 +ATOM 2523 C C . ALA B 1 113 ? -4.635 22.194 16.128 1.00 39.13 0 B 1 +ATOM 2524 O O . ALA B 1 113 ? -5.099 22.605 17.190 1.00 37.61 0 B 1 +ATOM 2525 C CB . ALA B 1 113 ? -5.876 20.808 14.455 1.00 35.64 0 B 1 +ATOM 2526 N N . GLY B 1 114 ? -3.386 21.751 16.011 1.00 34.25 0 B 1 +ATOM 2527 C CA . GLY B 1 114 ? -2.527 21.636 17.180 1.00 32.91 0 B 1 +ATOM 2528 C C . GLY B 1 114 ? -1.730 22.819 17.700 1.00 34.64 0 B 1 +ATOM 2529 O O . GLY B 1 114 ? -1.086 22.692 18.743 1.00 39.67 0 B 1 +ATOM 2530 N N . LYS B 1 115 ? -1.782 23.963 17.023 1.00 29.92 0 B 1 +ATOM 2531 C CA . LYS B 1 115 ? -1.015 25.137 17.447 1.00 27.73 0 B 1 +ATOM 2532 C C . LYS B 1 115 ? -1.252 25.599 18.888 1.00 30.01 0 B 1 +ATOM 2533 O O . LYS B 1 115 ? -0.306 25.962 19.589 1.00 29.24 0 B 1 +ATOM 2534 C CB . LYS B 1 115 ? -1.237 26.306 16.482 1.00 28.93 0 B 1 +ATOM 2535 C CG . LYS B 1 115 ? -0.333 27.505 16.738 1.00 25.87 0 B 1 +ATOM 2536 C CD . LYS B 1 115 ? -0.692 28.675 15.835 1.00 24.67 0 B 1 +ATOM 2537 C CE . LYS B 1 115 ? 0.090 29.931 16.202 1.00 27.13 0 B 1 +ATOM 2538 N NZ . LYS B 1 115 ? 1.560 29.765 16.014 1.00 34.77 0 B 1 +ATOM 2539 N N . ASP B 1 116 ? -2.505 25.568 19.335 1.00 33.95 0 B 1 +ATOM 2540 C CA . ASP B 1 116 ? -2.839 26.006 20.690 1.00 35.51 0 B 1 +ATOM 2541 C C . ASP B 1 116 ? -2.306 25.108 21.802 1.00 29.03 0 B 1 +ATOM 2542 O O . ASP B 1 116 ? -1.699 25.596 22.757 1.00 28.61 0 B 1 +ATOM 2543 C CB . ASP B 1 116 ? -4.348 26.207 20.830 1.00 44.25 0 B 1 +ATOM 2544 C CG . ASP B 1 116 ? -4.876 27.310 19.919 1.00 51.75 0 B 1 +ATOM 2545 O OD1 . ASP B 1 116 ? -4.157 28.310 19.689 1.00 58.31 0 B 1 +ATOM 2546 O OD2 . ASP B 1 116 ? -6.009 27.171 19.413 1.00 58.15 0 B 1 +ATOM 2547 N N . ASP B 1 117 ? -2.517 23.801 21.672 1.00 28.73 0 B 1 +ATOM 2548 C CA . ASP B 1 117 ? -2.039 22.850 22.672 1.00 28.70 0 B 1 +ATOM 2549 C C . ASP B 1 117 ? -0.516 22.871 22.767 1.00 21.76 0 B 1 +ATOM 2550 O O . ASP B 1 117 ? 0.047 22.817 23.864 1.00 20.81 0 B 1 +ATOM 2551 C CB . ASP B 1 117 ? -2.518 21.435 22.340 1.00 29.74 0 B 1 +ATOM 2552 C CG . ASP B 1 117 ? -4.015 21.254 22.543 1.00 35.26 0 B 1 +ATOM 2553 O OD1 . ASP B 1 117 ? -4.667 22.136 23.149 1.00 35.44 0 B 1 +ATOM 2554 O OD2 . ASP B 1 117 ? -4.538 20.205 22.115 1.00 41.24 0 B 1 +ATOM 2555 N N . TYR B 1 118 ? 0.137 22.965 21.609 1.00 23.96 0 B 1 +ATOM 2556 C CA . TYR B 1 118 ? 1.595 23.001 21.529 1.00 19.97 0 B 1 +ATOM 2557 C C . TYR B 1 118 ? 2.170 24.200 22.286 1.00 17.13 0 B 1 +ATOM 2558 O O . TYR B 1 118 ? 3.147 24.064 23.025 1.00 17.96 0 B 1 +ATOM 2559 C CB . TYR B 1 118 ? 2.042 23.040 20.060 1.00 18.94 0 B 1 +ATOM 2560 C CG . TYR B 1 118 ? 3.539 22.929 19.861 1.00 22.33 0 B 1 +ATOM 2561 C CD1 . TYR B 1 118 ? 4.360 24.052 19.956 1.00 18.69 0 B 1 +ATOM 2562 C CD2 . TYR B 1 118 ? 4.137 21.701 19.584 1.00 13.45 0 B 1 +ATOM 2563 C CE1 . TYR B 1 118 ? 5.732 23.955 19.784 1.00 20.36 0 B 1 +ATOM 2564 C CE2 . TYR B 1 118 ? 5.512 21.594 19.408 1.00 16.72 0 B 1 +ATOM 2565 C CZ . TYR B 1 118 ? 6.301 22.725 19.511 1.00 19.14 0 B 1 +ATOM 2566 O OH . TYR B 1 118 ? 7.658 22.634 19.341 1.00 11.54 0 B 1 +ATOM 2567 N N . VAL B 1 119 ? 1.577 25.374 22.085 1.00 23.85 0 B 1 +ATOM 2568 C CA . VAL B 1 119 ? 2.038 26.587 22.758 1.00 25.99 0 B 1 +ATOM 2569 C C . VAL B 1 119 ? 1.817 26.511 24.277 1.00 28.40 0 B 1 +ATOM 2570 O O . VAL B 1 119 ? 2.627 27.029 25.046 1.00 25.88 0 B 1 +ATOM 2571 C CB . VAL B 1 119 ? 1.365 27.853 22.165 1.00 28.98 0 B 1 +ATOM 2572 C CG1 . VAL B 1 119 ? 1.844 29.106 22.885 1.00 29.15 0 B 1 +ATOM 2573 C CG2 . VAL B 1 119 ? 1.691 27.963 20.684 1.00 17.09 0 B 1 +ATOM 2574 N N . LYS B 1 120 ? 0.740 25.844 24.700 1.00 30.15 0 B 1 +ATOM 2575 C CA . LYS B 1 120 ? 0.435 25.679 26.125 1.00 34.33 0 B 1 +ATOM 2576 C C . LYS B 1 120 ? 1.476 24.785 26.796 1.00 30.92 0 B 1 +ATOM 2577 O O . LYS B 1 120 ? 1.872 25.029 27.934 1.00 29.87 0 B 1 +ATOM 2578 C CB . LYS B 1 120 ? -0.946 25.048 26.318 1.00 39.46 0 B 1 +ATOM 2579 C CG . LYS B 1 120 ? -2.102 25.896 25.826 1.00 53.02 0 B 1 +ATOM 2580 C CD . LYS B 1 120 ? -3.379 25.074 25.754 1.00 60.62 0 B 1 +ATOM 2581 C CE . LYS B 1 120 ? -4.491 25.833 25.036 1.00 64.46 0 B 1 +ATOM 2582 N NZ . LYS B 1 120 ? -5.667 24.959 24.755 1.00 70.16 0 B 1 +ATOM 2583 N N . ALA B 1 121 ? 1.914 23.754 26.077 1.00 22.35 0 B 1 +ATOM 2584 C CA . ALA B 1 121 ? 2.905 22.807 26.586 1.00 24.36 0 B 1 +ATOM 2585 C C . ALA B 1 121 ? 4.346 23.304 26.472 1.00 20.41 0 B 1 +ATOM 2586 O O . ALA B 1 121 ? 5.249 22.747 27.094 1.00 24.85 0 B 1 +ATOM 2587 C CB . ALA B 1 121 ? 2.759 21.470 25.869 1.00 20.94 0 B 1 +ATOM 2588 N N . LEU B 1 122 ? 4.552 24.358 25.687 1.00 15.49 0 B 1 +ATOM 2589 C CA . LEU B 1 122 ? 5.882 24.921 25.479 1.00 19.00 0 B 1 +ATOM 2590 C C . LEU B 1 122 ? 6.729 25.192 26.726 1.00 18.30 0 B 1 +ATOM 2591 O O . LEU B 1 122 ? 7.901 24.812 26.762 1.00 23.78 0 B 1 +ATOM 2592 C CB . LEU B 1 122 ? 5.803 26.194 24.635 1.00 14.40 0 B 1 +ATOM 2593 C CG . LEU B 1 122 ? 6.473 26.159 23.264 1.00 17.81 0 B 1 +ATOM 2594 C CD1 . LEU B 1 122 ? 6.605 27.586 22.754 1.00 16.25 0 B 1 +ATOM 2595 C CD2 . LEU B 1 122 ? 7.844 25.500 23.355 1.00 13.02 0 B 1 +ATOM 2596 N N . PRO B 1 123 ? 6.167 25.863 27.752 1.00 18.24 0 B 1 +ATOM 2597 C CA . PRO B 1 123 ? 6.929 26.156 28.972 1.00 19.61 0 B 1 +ATOM 2598 C C . PRO B 1 123 ? 7.599 24.929 29.583 1.00 18.22 0 B 1 +ATOM 2599 O O . PRO B 1 123 ? 8.756 24.985 29.994 1.00 13.70 0 B 1 +ATOM 2600 C CB . PRO B 1 123 ? 5.867 26.739 29.902 1.00 21.71 0 B 1 +ATOM 2601 C CG . PRO B 1 123 ? 4.959 27.445 28.956 1.00 12.17 0 B 1 +ATOM 2602 C CD . PRO B 1 123 ? 4.808 26.436 27.845 1.00 17.58 0 B 1 +ATOM 2603 N N . GLY B 1 124 ? 6.875 23.815 29.603 1.00 20.98 0 B 1 +ATOM 2604 C CA . GLY B 1 124 ? 7.418 22.587 30.155 1.00 20.86 0 B 1 +ATOM 2605 C C . GLY B 1 124 ? 8.564 22.068 29.314 1.00 16.94 0 B 1 +ATOM 2606 O O . GLY B 1 124 ? 9.505 21.477 29.841 1.00 22.74 0 B 1 +ATOM 2607 N N . GLN B 1 125 ? 8.479 22.294 28.004 1.00 15.11 0 B 1 +ATOM 2608 C CA . GLN B 1 125 ? 9.508 21.868 27.057 1.00 15.19 0 B 1 +ATOM 2609 C C . GLN B 1 125 ? 10.764 22.730 27.133 1.00 13.14 0 B 1 +ATOM 2610 O O . GLN B 1 125 ? 11.866 22.246 26.898 1.00 19.56 0 B 1 +ATOM 2611 C CB . GLN B 1 125 ? 8.965 21.915 25.630 1.00 16.11 0 B 1 +ATOM 2612 C CG . GLN B 1 125 ? 7.808 20.974 25.369 1.00 20.92 0 B 1 +ATOM 2613 C CD . GLN B 1 125 ? 8.168 19.542 25.677 1.00 25.52 0 B 1 +ATOM 2614 N NE2 . GLN B 1 125 ? 7.359 18.890 26.494 1.00 26.48 0 B 1 +ATOM 2615 O OE1 . GLN B 1 125 ? 9.177 19.035 25.196 1.00 26.29 0 B 1 +ATOM 2616 N N . LEU B 1 126 ? 10.593 24.010 27.454 1.00 14.89 0 B 1 +ATOM 2617 C CA . LEU B 1 126 ? 11.720 24.936 27.544 1.00 15.96 0 B 1 +ATOM 2618 C C . LEU B 1 126 ? 12.449 24.947 28.888 1.00 17.08 0 B 1 +ATOM 2619 O O . LEU B 1 126 ? 13.640 25.263 28.939 1.00 20.75 0 B 1 +ATOM 2620 C CB . LEU B 1 126 ? 11.266 26.354 27.186 1.00 16.96 0 B 1 +ATOM 2621 C CG . LEU B 1 126 ? 10.754 26.529 25.755 1.00 17.57 0 B 1 +ATOM 2622 C CD1 . LEU B 1 126 ? 10.208 27.935 25.556 1.00 15.98 0 B 1 +ATOM 2623 C CD2 . LEU B 1 126 ? 11.876 26.229 24.770 1.00 20.24 0 B 1 +ATOM 2624 N N . LYS B 1 127 ? 11.745 24.601 29.968 1.00 21.06 0 B 1 +ATOM 2625 C CA . LYS B 1 127 ? 12.349 24.580 31.305 1.00 23.43 0 B 1 +ATOM 2626 C C . LYS B 1 127 ? 13.688 23.855 31.419 1.00 22.54 0 B 1 +ATOM 2627 O O . LYS B 1 127 ? 14.613 24.371 32.047 1.00 22.29 0 B 1 +ATOM 2628 C CB . LYS B 1 127 ? 11.369 24.041 32.351 1.00 28.89 0 B 1 +ATOM 2629 C CG . LYS B 1 127 ? 10.523 25.123 32.980 1.00 37.23 0 B 1 +ATOM 2630 C CD . LYS B 1 127 ? 9.385 24.558 33.803 1.00 42.49 0 B 1 +ATOM 2631 C CE . LYS B 1 127 ? 8.489 25.682 34.305 1.00 47.02 0 B 1 +ATOM 2632 N NZ . LYS B 1 127 ? 7.241 25.172 34.936 1.00 50.63 0 B 1 +ATOM 2633 N N . PRO B 1 128 ? 13.818 22.654 30.814 1.00 19.21 0 B 1 +ATOM 2634 C CA . PRO B 1 128 ? 15.087 21.923 30.896 1.00 17.04 0 B 1 +ATOM 2635 C C . PRO B 1 128 ? 16.317 22.741 30.488 1.00 16.86 0 B 1 +ATOM 2636 O O . PRO B 1 128 ? 17.377 22.628 31.112 1.00 17.37 0 B 1 +ATOM 2637 C CB . PRO B 1 128 ? 14.857 20.750 29.950 1.00 17.39 0 B 1 +ATOM 2638 C CG . PRO B 1 128 ? 13.409 20.457 30.156 1.00 19.10 0 B 1 +ATOM 2639 C CD . PRO B 1 128 ? 12.796 21.837 30.130 1.00 12.84 0 B 1 +ATOM 2640 N N . PHE B 1 129 ? 16.171 23.580 29.462 1.00 15.22 0 B 1 +ATOM 2641 C CA . PHE B 1 129 ? 17.288 24.398 28.983 1.00 17.42 0 B 1 +ATOM 2642 C C . PHE B 1 129 ? 17.600 25.577 29.910 1.00 17.17 0 B 1 +ATOM 2643 O O . PHE B 1 129 ? 18.758 25.980 30.047 1.00 14.35 0 B 1 +ATOM 2644 C CB . PHE B 1 129 ? 17.031 24.845 27.543 1.00 11.90 0 B 1 +ATOM 2645 C CG . PHE B 1 129 ? 16.763 23.697 26.602 1.00 16.61 0 B 1 +ATOM 2646 C CD1 . PHE B 1 129 ? 17.783 22.815 26.249 1.00 17.88 0 B 1 +ATOM 2647 C CD2 . PHE B 1 129 ? 15.482 23.466 26.109 1.00 17.70 0 B 1 +ATOM 2648 C CE1 . PHE B 1 129 ? 17.528 21.716 25.420 1.00 17.94 0 B 1 +ATOM 2649 C CE2 . PHE B 1 129 ? 15.218 22.371 25.280 1.00 19.09 0 B 1 +ATOM 2650 C CZ . PHE B 1 129 ? 16.242 21.497 24.938 1.00 8.60 0 B 1 +ATOM 2651 N N . GLU B 1 130 ? 16.561 26.112 30.552 1.00 17.70 0 B 1 +ATOM 2652 C CA . GLU B 1 130 ? 16.712 27.204 31.513 1.00 18.86 0 B 1 +ATOM 2653 C C . GLU B 1 130 ? 17.490 26.636 32.711 1.00 18.28 0 B 1 +ATOM 2654 O O . GLU B 1 130 ? 18.383 27.287 33.260 1.00 19.21 0 B 1 +ATOM 2655 C CB . GLU B 1 130 ? 15.330 27.693 31.965 1.00 18.24 0 B 1 +ATOM 2656 C CG . GLU B 1 130 ? 15.334 28.820 33.008 1.00 19.04 0 B 1 +ATOM 2657 C CD . GLU B 1 130 ? 15.671 30.204 32.442 1.00 20.57 0 B 1 +ATOM 2658 O OE1 . GLU B 1 130 ? 15.761 30.370 31.208 1.00 22.44 0 B 1 +ATOM 2659 O OE2 . GLU B 1 130 ? 15.837 31.147 33.245 1.00 15.29 0 B 1 +ATOM 2660 N N . THR B 1 131 ? 17.167 25.392 33.066 1.00 20.89 0 B 1 +ATOM 2661 C CA . THR B 1 131 ? 17.807 24.682 34.169 1.00 17.30 0 B 1 +ATOM 2662 C C . THR B 1 131 ? 19.283 24.438 33.876 1.00 17.68 0 B 1 +ATOM 2663 O O . THR B 1 131 ? 20.140 24.674 34.730 1.00 22.51 0 B 1 +ATOM 2664 C CB . THR B 1 131 ? 17.126 23.323 34.411 1.00 20.96 0 B 1 +ATOM 2665 C CG2 . THR B 1 131 ? 17.738 22.622 35.618 1.00 23.00 0 B 1 +ATOM 2666 O OG1 . THR B 1 131 ? 15.725 23.525 34.636 1.00 22.20 0 B 1 +ATOM 2667 N N . LEU B 1 132 ? 19.571 23.933 32.679 1.00 16.96 0 B 1 +ATOM 2668 C CA . LEU B 1 132 ? 20.947 23.664 32.268 1.00 20.31 0 B 1 +ATOM 2669 C C . LEU B 1 132 ? 21.768 24.944 32.373 1.00 20.33 0 B 1 +ATOM 2670 O O . LEU B 1 132 ? 22.879 24.943 32.904 1.00 20.23 0 B 1 +ATOM 2671 C CB . LEU B 1 132 ? 20.975 23.139 30.830 1.00 17.56 0 B 1 +ATOM 2672 C CG . LEU B 1 132 ? 20.498 21.699 30.626 1.00 20.00 0 B 1 +ATOM 2673 C CD1 . LEU B 1 132 ? 20.190 21.434 29.163 1.00 16.07 0 B 1 +ATOM 2674 C CD2 . LEU B 1 132 ? 21.558 20.739 31.138 1.00 18.95 0 B 1 +ATOM 2675 N N . LEU B 1 133 ? 21.183 26.040 31.902 1.00 23.10 0 B 1 +ATOM 2676 C CA . LEU B 1 133 ? 21.818 27.349 31.926 1.00 21.20 0 B 1 +ATOM 2677 C C . LEU B 1 133 ? 22.087 27.796 33.364 1.00 19.95 0 B 1 +ATOM 2678 O O . LEU B 1 133 ? 23.195 28.224 33.686 1.00 24.25 0 B 1 +ATOM 2679 C CB . LEU B 1 133 ? 20.918 28.357 31.203 1.00 17.55 0 B 1 +ATOM 2680 C CG . LEU B 1 133 ? 21.485 29.226 30.073 1.00 20.13 0 B 1 +ATOM 2681 C CD1 . LEU B 1 133 ? 22.629 28.548 29.351 1.00 19.19 0 B 1 +ATOM 2682 C CD2 . LEU B 1 133 ? 20.365 29.566 29.107 1.00 12.12 0 B 1 +ATOM 2683 N N . SER B 1 134 ? 21.095 27.641 34.239 1.00 21.03 0 B 1 +ATOM 2684 C CA . SER B 1 134 ? 21.242 28.038 35.640 1.00 22.63 0 B 1 +ATOM 2685 C C . SER B 1 134 ? 22.329 27.268 36.393 1.00 23.34 0 B 1 +ATOM 2686 O O . SER B 1 134 ? 22.887 27.773 37.368 1.00 23.80 0 B 1 +ATOM 2687 C CB . SER B 1 134 ? 19.904 27.928 36.387 1.00 17.88 0 B 1 +ATOM 2688 O OG . SER B 1 134 ? 19.504 26.580 36.554 1.00 25.31 0 B 1 +ATOM 2689 N N . GLN B 1 135 ? 22.641 26.059 35.935 1.00 24.21 0 B 1 +ATOM 2690 C CA . GLN B 1 135 ? 23.675 25.245 36.573 1.00 24.74 0 B 1 +ATOM 2691 C C . GLN B 1 135 ? 25.072 25.482 36.007 1.00 23.07 0 B 1 +ATOM 2692 O O . GLN B 1 135 ? 26.046 24.908 36.492 1.00 25.24 0 B 1 +ATOM 2693 C CB . GLN B 1 135 ? 23.319 23.768 36.458 1.00 22.15 0 B 1 +ATOM 2694 C CG . GLN B 1 135 ? 22.042 23.406 37.169 1.00 28.93 0 B 1 +ATOM 2695 C CD . GLN B 1 135 ? 21.561 22.029 36.797 1.00 33.29 0 B 1 +ATOM 2696 N NE2 . GLN B 1 135 ? 20.480 21.596 37.421 1.00 30.68 0 B 1 +ATOM 2697 O OE1 . GLN B 1 135 ? 22.153 21.359 35.951 1.00 36.02 0 B 1 +ATOM 2698 N N . ASN B 1 136 ? 25.172 26.301 34.967 1.00 24.65 0 B 1 +ATOM 2699 C CA . ASN B 1 136 ? 26.457 26.599 34.355 1.00 23.45 0 B 1 +ATOM 2700 C C . ASN B 1 136 ? 26.792 28.081 34.523 1.00 24.28 0 B 1 +ATOM 2701 O O . ASN B 1 136 ? 26.325 28.919 33.754 1.00 22.10 0 B 1 +ATOM 2702 C CB . ASN B 1 136 ? 26.450 26.217 32.867 1.00 22.01 0 B 1 +ATOM 2703 C CG . ASN B 1 136 ? 27.793 26.461 32.195 1.00 19.62 0 B 1 +ATOM 2704 N ND2 . ASN B 1 136 ? 27.767 26.728 30.901 1.00 21.96 0 B 1 +ATOM 2705 O OD1 . ASN B 1 136 ? 28.839 26.364 32.835 1.00 27.05 0 B 1 +ATOM 2706 N N . GLN B 1 137 ? 27.587 28.395 35.550 1.00 32.94 0 B 1 +ATOM 2707 C CA . GLN B 1 137 ? 27.997 29.774 35.843 1.00 35.56 0 B 1 +ATOM 2708 C C . GLN B 1 137 ? 26.836 30.769 35.834 1.00 34.51 0 B 1 +ATOM 2709 O O . GLN B 1 137 ? 26.969 31.886 35.325 1.00 36.90 0 B 1 +ATOM 2710 C CB . GLN B 1 137 ? 29.068 30.230 34.854 1.00 41.22 0 B 1 +ATOM 2711 C CG . GLN B 1 137 ? 30.373 29.467 34.937 1.00 50.17 0 B 1 +ATOM 2712 C CD . GLN B 1 137 ? 31.245 29.696 33.716 1.00 58.75 0 B 1 +ATOM 2713 N NE2 . GLN B 1 137 ? 31.247 28.736 32.796 1.00 64.72 0 B 1 +ATOM 2714 O OE1 . GLN B 1 137 ? 31.892 30.742 33.593 1.00 63.00 0 B 1 +ATOM 2715 N N . GLY B 1 138 ? 25.692 30.340 36.365 1.00 30.72 0 B 1 +ATOM 2716 C CA . GLY B 1 138 ? 24.521 31.201 36.424 1.00 28.77 0 B 1 +ATOM 2717 C C . GLY B 1 138 ? 23.967 31.671 35.089 1.00 26.54 0 B 1 +ATOM 2718 O O . GLY B 1 138 ? 23.312 32.710 35.024 1.00 27.81 0 B 1 +ATOM 2719 N N . GLY B 1 139 ? 24.219 30.904 34.031 1.00 27.34 0 B 1 +ATOM 2720 C CA . GLY B 1 139 ? 23.731 31.260 32.708 1.00 31.49 0 B 1 +ATOM 2721 C C . GLY B 1 139 ? 24.418 32.467 32.093 1.00 31.30 0 B 1 +ATOM 2722 O O . GLY B 1 139 ? 23.871 33.095 31.189 1.00 34.21 0 B 1 +ATOM 2723 N N . LYS B 1 140 ? 25.626 32.768 32.560 1.00 30.40 0 B 1 +ATOM 2724 C CA . LYS B 1 140 ? 26.386 33.916 32.068 1.00 26.34 0 B 1 +ATOM 2725 C C . LYS B 1 140 ? 27.160 33.641 30.781 1.00 22.39 0 B 1 +ATOM 2726 O O . LYS B 1 140 ? 27.484 34.575 30.048 1.00 27.20 0 B 1 +ATOM 2727 C CB . LYS B 1 140 ? 27.346 34.427 33.154 1.00 34.80 0 B 1 +ATOM 2728 C CG . LYS B 1 140 ? 26.660 34.918 34.427 1.00 45.10 0 B 1 +ATOM 2729 C CD . LYS B 1 140 ? 25.961 36.260 34.233 1.00 55.71 0 B 1 +ATOM 2730 C CE . LYS B 1 140 ? 26.952 37.417 34.311 1.00 61.59 0 B 1 +ATOM 2731 N NZ . LYS B 1 140 ? 26.304 38.745 34.084 1.00 61.43 0 B 1 +ATOM 2732 N N . THR B 1 141 ? 27.446 32.369 30.503 1.00 21.81 0 B 1 +ATOM 2733 C CA . THR B 1 141 ? 28.197 31.993 29.304 1.00 18.45 0 B 1 +ATOM 2734 C C . THR B 1 141 ? 27.407 31.185 28.262 1.00 23.00 0 B 1 +ATOM 2735 O O . THR B 1 141 ? 26.446 31.689 27.684 1.00 22.68 0 B 1 +ATOM 2736 C CB . THR B 1 141 ? 29.500 31.247 29.665 1.00 16.61 0 B 1 +ATOM 2737 C CG2 . THR B 1 141 ? 30.499 32.190 30.318 1.00 11.71 0 B 1 +ATOM 2738 O OG1 . THR B 1 141 ? 29.203 30.165 30.556 1.00 20.20 0 B 1 +ATOM 2739 N N . PHE B 1 142 ? 27.812 29.937 28.030 1.00 19.96 0 B 1 +ATOM 2740 C CA . PHE B 1 142 ? 27.169 29.076 27.046 1.00 16.47 0 B 1 +ATOM 2741 C C . PHE B 1 142 ? 26.368 27.947 27.688 1.00 13.47 0 B 1 +ATOM 2742 O O . PHE B 1 142 ? 26.341 27.826 28.906 1.00 15.59 0 B 1 +ATOM 2743 C CB . PHE B 1 142 ? 28.228 28.548 26.083 1.00 12.29 0 B 1 +ATOM 2744 C CG . PHE B 1 142 ? 29.040 29.643 25.436 1.00 14.33 0 B 1 +ATOM 2745 C CD1 . PHE B 1 142 ? 28.533 30.359 24.353 1.00 14.29 0 B 1 +ATOM 2746 C CD2 . PHE B 1 142 ? 30.294 29.981 25.931 1.00 14.55 0 B 1 +ATOM 2747 C CE1 . PHE B 1 142 ? 29.261 31.395 23.778 1.00 15.53 0 B 1 +ATOM 2748 C CE2 . PHE B 1 142 ? 31.032 31.016 25.363 1.00 16.31 0 B 1 +ATOM 2749 C CZ . PHE B 1 142 ? 30.516 31.723 24.285 1.00 16.20 0 B 1 +ATOM 2750 N N . ILE B 1 143 ? 25.698 27.134 26.877 1.00 14.04 0 B 1 +ATOM 2751 C CA . ILE B 1 143 ? 24.872 26.056 27.414 1.00 13.69 0 B 1 +ATOM 2752 C C . ILE B 1 143 ? 25.676 24.999 28.182 1.00 14.12 0 B 1 +ATOM 2753 O O . ILE B 1 143 ? 25.188 24.439 29.164 1.00 14.14 0 B 1 +ATOM 2754 C CB . ILE B 1 143 ? 23.978 25.410 26.314 1.00 5.42 0 B 1 +ATOM 2755 C CG1 . ILE B 1 143 ? 22.872 24.569 26.957 1.00 6.97 0 B 1 +ATOM 2756 C CG2 . ILE B 1 143 ? 24.813 24.566 25.352 1.00 2.54 0 B 1 +ATOM 2757 C CD1 . ILE B 1 143 ? 21.853 25.373 27.737 1.00 10.57 0 B 1 +ATOM 2758 N N . VAL B 1 144 ? 26.912 24.763 27.751 1.00 13.71 0 B 1 +ATOM 2759 C CA . VAL B 1 144 ? 27.804 23.798 28.396 1.00 13.16 0 B 1 +ATOM 2760 C C . VAL B 1 144 ? 29.220 24.366 28.418 1.00 15.36 0 B 1 +ATOM 2761 O O . VAL B 1 144 ? 29.767 24.714 27.373 1.00 17.05 0 B 1 +ATOM 2762 C CB . VAL B 1 144 ? 27.842 22.443 27.643 1.00 12.66 0 B 1 +ATOM 2763 C CG1 . VAL B 1 144 ? 28.931 21.547 28.228 1.00 7.81 0 B 1 +ATOM 2764 C CG2 . VAL B 1 144 ? 26.496 21.745 27.729 1.00 10.81 0 B 1 +ATOM 2765 N N . GLY B 1 145 ? 29.805 24.463 29.609 1.00 11.07 0 B 1 +ATOM 2766 C CA . GLY B 1 145 ? 31.159 24.983 29.733 1.00 14.99 0 B 1 +ATOM 2767 C C . GLY B 1 145 ? 31.284 26.482 29.523 1.00 14.24 0 B 1 +ATOM 2768 O O . GLY B 1 145 ? 30.295 27.212 29.599 1.00 13.15 0 B 1 +ATOM 2769 N N . ASP B 1 146 ? 32.502 26.938 29.240 1.00 21.64 0 B 1 +ATOM 2770 C CA . ASP B 1 146 ? 32.760 28.361 29.029 1.00 29.49 0 B 1 +ATOM 2771 C C . ASP B 1 146 ? 33.186 28.702 27.600 1.00 27.00 0 B 1 +ATOM 2772 O O . ASP B 1 146 ? 33.714 29.780 27.342 1.00 28.71 0 B 1 +ATOM 2773 C CB . ASP B 1 146 ? 33.797 28.872 30.041 1.00 34.77 0 B 1 +ATOM 2774 C CG . ASP B 1 146 ? 35.150 28.181 29.909 1.00 41.89 0 B 1 +ATOM 2775 O OD1 . ASP B 1 146 ? 35.261 27.160 29.193 1.00 47.12 0 B 1 +ATOM 2776 O OD2 . ASP B 1 146 ? 36.118 28.670 30.528 1.00 49.55 0 B 1 +ATOM 2777 N N . GLN B 1 147 ? 32.957 27.769 26.682 1.00 25.29 0 B 1 +ATOM 2778 C CA . GLN B 1 147 ? 33.286 27.950 25.271 1.00 27.54 0 B 1 +ATOM 2779 C C . GLN B 1 147 ? 32.075 27.471 24.470 1.00 25.52 0 B 1 +ATOM 2780 O O . GLN B 1 147 ? 31.377 26.544 24.886 1.00 19.49 0 B 1 +ATOM 2781 C CB . GLN B 1 147 ? 34.542 27.154 24.896 1.00 32.31 0 B 1 +ATOM 2782 C CG . GLN B 1 147 ? 34.436 25.662 25.188 1.00 48.14 0 B 1 +ATOM 2783 C CD . GLN B 1 147 ? 35.614 24.854 24.669 1.00 51.13 0 B 1 +ATOM 2784 N NE2 . GLN B 1 147 ? 35.543 24.436 23.402 1.00 48.56 0 B 1 +ATOM 2785 O OE1 . GLN B 1 147 ? 36.563 24.579 25.410 1.00 51.25 0 B 1 +ATOM 2786 N N . ILE B 1 148 ? 31.802 28.130 23.346 1.00 19.95 0 B 1 +ATOM 2787 C CA . ILE B 1 148 ? 30.659 27.783 22.506 1.00 18.81 0 B 1 +ATOM 2788 C C . ILE B 1 148 ? 30.803 26.389 21.873 1.00 19.26 0 B 1 +ATOM 2789 O O . ILE B 1 148 ? 31.912 25.944 21.571 1.00 18.93 0 B 1 +ATOM 2790 C CB . ILE B 1 148 ? 30.427 28.874 21.420 1.00 16.83 0 B 1 +ATOM 2791 C CG1 . ILE B 1 148 ? 28.986 28.822 20.916 1.00 18.74 0 B 1 +ATOM 2792 C CG2 . ILE B 1 148 ? 31.411 28.706 20.270 1.00 15.01 0 B 1 +ATOM 2793 C CD1 . ILE B 1 148 ? 28.544 30.080 20.207 1.00 14.19 0 B 1 +ATOM 2794 N N . SER B 1 149 ? 29.682 25.690 21.717 1.00 17.66 0 B 1 +ATOM 2795 C CA . SER B 1 149 ? 29.687 24.356 21.129 1.00 18.92 0 B 1 +ATOM 2796 C C . SER B 1 149 ? 28.632 24.307 20.034 1.00 14.12 0 B 1 +ATOM 2797 O O . SER B 1 149 ? 27.846 25.246 19.893 1.00 15.28 0 B 1 +ATOM 2798 C CB . SER B 1 149 ? 29.375 23.300 22.194 1.00 13.52 0 B 1 +ATOM 2799 O OG . SER B 1 149 ? 28.020 23.373 22.609 1.00 18.98 0 B 1 +ATOM 2800 N N . PHE B 1 150 ? 28.598 23.211 19.274 1.00 10.51 0 B 1 +ATOM 2801 C CA . PHE B 1 150 ? 27.614 23.076 18.201 1.00 14.62 0 B 1 +ATOM 2802 C C . PHE B 1 150 ? 26.188 23.041 18.748 1.00 13.35 0 B 1 +ATOM 2803 O O . PHE B 1 150 ? 25.241 23.424 18.059 1.00 17.57 0 B 1 +ATOM 2804 C CB . PHE B 1 150 ? 27.908 21.848 17.315 1.00 13.17 0 B 1 +ATOM 2805 C CG . PHE B 1 150 ? 27.701 20.518 18.001 1.00 14.56 0 B 1 +ATOM 2806 C CD1 . PHE B 1 150 ? 26.448 19.907 18.007 1.00 12.80 0 B 1 +ATOM 2807 C CD2 . PHE B 1 150 ? 28.759 19.875 18.632 1.00 12.22 0 B 1 +ATOM 2808 C CE1 . PHE B 1 150 ? 26.254 18.678 18.633 1.00 12.82 0 B 1 +ATOM 2809 C CE2 . PHE B 1 150 ? 28.576 18.644 19.263 1.00 12.77 0 B 1 +ATOM 2810 C CZ . PHE B 1 150 ? 27.321 18.044 19.263 1.00 12.23 0 B 1 +ATOM 2811 N N . ALA B 1 151 ? 26.044 22.603 19.998 1.00 12.32 0 B 1 +ATOM 2812 C CA . ALA B 1 151 ? 24.736 22.533 20.646 1.00 5.43 0 B 1 +ATOM 2813 C C . ALA B 1 151 ? 24.168 23.939 20.838 1.00 7.58 0 B 1 +ATOM 2814 O O . ALA B 1 151 ? 22.953 24.136 20.792 1.00 14.56 0 B 1 +ATOM 2815 C CB . ALA B 1 151 ? 24.845 21.807 21.992 1.00 7.30 0 B 1 +ATOM 2816 N N . ASP B 1 152 ? 25.053 24.911 21.047 1.00 9.19 0 B 1 +ATOM 2817 C CA . ASP B 1 152 ? 24.640 26.297 21.227 1.00 13.38 0 B 1 +ATOM 2818 C C . ASP B 1 152 ? 23.923 26.818 19.991 1.00 11.24 0 B 1 +ATOM 2819 O O . ASP B 1 152 ? 22.832 27.390 20.096 1.00 20.67 0 B 1 +ATOM 2820 C CB . ASP B 1 152 ? 25.851 27.184 21.527 1.00 13.77 0 B 1 +ATOM 2821 C CG . ASP B 1 152 ? 26.304 27.086 22.967 1.00 18.46 0 B 1 +ATOM 2822 O OD1 . ASP B 1 152 ? 25.525 27.460 23.862 1.00 17.57 0 B 1 +ATOM 2823 O OD2 . ASP B 1 152 ? 27.447 26.661 23.205 1.00 16.84 0 B 1 +ATOM 2824 N N . TYR B 1 153 ? 24.520 26.588 18.819 1.00 10.18 0 B 1 +ATOM 2825 C CA . TYR B 1 153 ? 23.932 27.041 17.555 1.00 14.20 0 B 1 +ATOM 2826 C C . TYR B 1 153 ? 22.590 26.376 17.306 1.00 14.21 0 B 1 +ATOM 2827 O O . TYR B 1 153 ? 21.647 27.022 16.873 1.00 19.16 0 B 1 +ATOM 2828 C CB . TYR B 1 153 ? 24.880 26.766 16.377 1.00 11.06 0 B 1 +ATOM 2829 C CG . TYR B 1 153 ? 26.180 27.517 16.484 1.00 15.33 0 B 1 +ATOM 2830 C CD1 . TYR B 1 153 ? 26.234 28.896 16.252 1.00 12.64 0 B 1 +ATOM 2831 C CD2 . TYR B 1 153 ? 27.348 26.864 16.867 1.00 11.01 0 B 1 +ATOM 2832 C CE1 . TYR B 1 153 ? 27.424 29.603 16.405 1.00 13.54 0 B 1 +ATOM 2833 C CE2 . TYR B 1 153 ? 28.538 27.556 17.024 1.00 15.55 0 B 1 +ATOM 2834 C CZ . TYR B 1 153 ? 28.570 28.925 16.793 1.00 15.26 0 B 1 +ATOM 2835 O OH . TYR B 1 153 ? 29.750 29.609 16.961 1.00 26.37 0 B 1 +ATOM 2836 N N . ASN B 1 154 ? 22.495 25.088 17.612 1.00 11.02 0 B 1 +ATOM 2837 C CA . ASN B 1 154 ? 21.266 24.342 17.407 1.00 12.36 0 B 1 +ATOM 2838 C C . ASN B 1 154 ? 20.177 24.800 18.383 1.00 11.59 0 B 1 +ATOM 2839 O O . ASN B 1 154 ? 19.012 24.933 18.005 1.00 16.37 0 B 1 +ATOM 2840 C CB . ASN B 1 154 ? 21.522 22.838 17.535 1.00 12.52 0 B 1 +ATOM 2841 C CG . ASN B 1 154 ? 20.439 22.013 16.872 1.00 14.34 0 B 1 +ATOM 2842 N ND2 . ASN B 1 154 ? 20.524 20.701 17.022 1.00 11.42 0 B 1 +ATOM 2843 O OD1 . ASN B 1 154 ? 19.547 22.556 16.218 1.00 21.88 0 B 1 +ATOM 2844 N N . LEU B 1 155 ? 20.563 25.052 19.632 1.00 13.04 0 B 1 +ATOM 2845 C CA . LEU B 1 155 ? 19.601 25.502 20.636 1.00 12.57 0 B 1 +ATOM 2846 C C . LEU B 1 155 ? 19.122 26.904 20.259 1.00 14.39 0 B 1 +ATOM 2847 O O . LEU B 1 155 ? 17.923 27.188 20.308 1.00 16.57 0 B 1 +ATOM 2848 C CB . LEU B 1 155 ? 20.234 25.507 22.034 1.00 9.91 0 B 1 +ATOM 2849 C CG . LEU B 1 155 ? 19.373 26.105 23.158 1.00 9.64 0 B 1 +ATOM 2850 C CD1 . LEU B 1 155 ? 18.026 25.406 23.245 1.00 5.79 0 B 1 +ATOM 2851 C CD2 . LEU B 1 155 ? 20.113 26.008 24.481 1.00 13.09 0 B 1 +ATOM 2852 N N . LEU B 1 156 ? 20.059 27.758 19.846 1.00 13.04 0 B 1 +ATOM 2853 C CA . LEU B 1 156 ? 19.735 29.127 19.442 1.00 15.72 0 B 1 +ATOM 2854 C C . LEU B 1 156 ? 18.696 29.113 18.328 1.00 13.78 0 B 1 +ATOM 2855 O O . LEU B 1 156 ? 17.695 29.829 18.398 1.00 19.57 0 B 1 +ATOM 2856 C CB . LEU B 1 156 ? 20.990 29.861 18.962 1.00 14.52 0 B 1 +ATOM 2857 C CG . LEU B 1 156 ? 20.768 31.321 18.555 1.00 12.15 0 B 1 +ATOM 2858 C CD1 . LEU B 1 156 ? 20.232 32.127 19.737 1.00 10.71 0 B 1 +ATOM 2859 C CD2 . LEU B 1 156 ? 22.068 31.920 18.056 1.00 11.55 0 B 1 +ATOM 2860 N N . ASP B 1 157 ? 18.929 28.286 17.308 1.00 13.43 0 B 1 +ATOM 2861 C CA . ASP B 1 157 ? 17.987 28.182 16.200 1.00 13.19 0 B 1 +ATOM 2862 C C . ASP B 1 157 ? 16.618 27.749 16.712 1.00 15.76 0 B 1 +ATOM 2863 O O . ASP B 1 157 ? 15.595 28.339 16.351 1.00 14.69 0 B 1 +ATOM 2864 C CB . ASP B 1 157 ? 18.482 27.186 15.150 1.00 13.71 0 B 1 +ATOM 2865 C CG . ASP B 1 157 ? 17.480 26.978 14.029 1.00 16.58 0 B 1 +ATOM 2866 O OD1 . ASP B 1 157 ? 17.115 27.969 13.360 1.00 20.52 0 B 1 +ATOM 2867 O OD2 . ASP B 1 157 ? 17.064 25.823 13.813 1.00 16.71 0 B 1 +ATOM 2868 N N . LEU B 1 158 ? 16.605 26.723 17.562 1.00 13.29 0 B 1 +ATOM 2869 C CA . LEU B 1 158 ? 15.353 26.222 18.124 1.00 10.71 0 B 1 +ATOM 2870 C C . LEU B 1 158 ? 14.596 27.345 18.849 1.00 14.58 0 B 1 +ATOM 2871 O O . LEU B 1 158 ? 13.394 27.518 18.658 1.00 12.64 0 B 1 +ATOM 2872 C CB . LEU B 1 158 ? 15.622 25.057 19.084 1.00 11.71 0 B 1 +ATOM 2873 C CG . LEU B 1 158 ? 14.379 24.318 19.605 1.00 13.22 0 B 1 +ATOM 2874 C CD1 . LEU B 1 158 ? 13.689 23.577 18.466 1.00 16.54 0 B 1 +ATOM 2875 C CD2 . LEU B 1 158 ? 14.768 23.344 20.698 1.00 15.64 0 B 1 +ATOM 2876 N N . LEU B 1 159 ? 15.316 28.139 19.635 1.00 11.92 0 B 1 +ATOM 2877 C CA . LEU B 1 159 ? 14.698 29.241 20.375 1.00 12.01 0 B 1 +ATOM 2878 C C . LEU B 1 159 ? 14.142 30.323 19.446 1.00 11.20 0 B 1 +ATOM 2879 O O . LEU B 1 159 ? 13.007 30.769 19.615 1.00 18.11 0 B 1 +ATOM 2880 C CB . LEU B 1 159 ? 15.702 29.839 21.364 1.00 9.78 0 B 1 +ATOM 2881 C CG . LEU B 1 159 ? 16.201 28.856 22.431 1.00 10.85 0 B 1 +ATOM 2882 C CD1 . LEU B 1 159 ? 17.284 29.483 23.291 1.00 3.71 0 B 1 +ATOM 2883 C CD2 . LEU B 1 159 ? 15.033 28.394 23.284 1.00 8.70 0 B 1 +ATOM 2884 N N . LEU B 1 160 ? 14.929 30.707 18.443 1.00 12.51 0 B 1 +ATOM 2885 C CA . LEU B 1 160 ? 14.516 31.723 17.477 1.00 14.29 0 B 1 +ATOM 2886 C C . LEU B 1 160 ? 13.251 31.351 16.709 1.00 16.44 0 B 1 +ATOM 2887 O O . LEU B 1 160 ? 12.353 32.186 16.562 1.00 17.78 0 B 1 +ATOM 2888 C CB . LEU B 1 160 ? 15.648 32.025 16.493 1.00 8.44 0 B 1 +ATOM 2889 C CG . LEU B 1 160 ? 16.904 32.675 17.080 1.00 9.43 0 B 1 +ATOM 2890 C CD1 . LEU B 1 160 ? 17.960 32.798 16.002 1.00 11.30 0 B 1 +ATOM 2891 C CD2 . LEU B 1 160 ? 16.577 34.042 17.657 1.00 12.74 0 B 1 +ATOM 2892 N N . ILE B 1 161 ? 13.153 30.108 16.236 1.00 17.98 0 B 1 +ATOM 2893 C CA . ILE B 1 161 ? 11.962 29.704 15.484 1.00 16.60 0 B 1 +ATOM 2894 C C . ILE B 1 161 ? 10.726 29.613 16.370 1.00 18.65 0 B 1 +ATOM 2895 O O . ILE B 1 161 ? 9.599 29.691 15.876 1.00 18.17 0 B 1 +ATOM 2896 C CB . ILE B 1 161 ? 12.159 28.382 14.692 1.00 17.00 0 B 1 +ATOM 2897 C CG1 . ILE B 1 161 ? 12.388 27.200 15.636 1.00 19.08 0 B 1 +ATOM 2898 C CG2 . ILE B 1 161 ? 13.312 28.530 13.712 1.00 13.07 0 B 1 +ATOM 2899 C CD1 . ILE B 1 161 ? 12.634 25.887 14.913 1.00 12.31 0 B 1 +ATOM 2900 N N . HIS B 1 162 ? 10.935 29.438 17.676 1.00 19.39 0 B 1 +ATOM 2901 C CA . HIS B 1 162 ? 9.816 29.376 18.612 1.00 21.06 0 B 1 +ATOM 2902 C C . HIS B 1 162 ? 9.335 30.778 18.957 1.00 17.69 0 B 1 +ATOM 2903 O O . HIS B 1 162 ? 8.171 30.970 19.300 1.00 13.11 0 B 1 +ATOM 2904 C CB . HIS B 1 162 ? 10.176 28.583 19.871 1.00 17.39 0 B 1 +ATOM 2905 C CG . HIS B 1 162 ? 10.007 27.104 19.709 1.00 19.64 0 B 1 +ATOM 2906 C CD2 . HIS B 1 162 ? 8.932 26.305 19.886 1.00 16.21 0 B 1 +ATOM 2907 N ND1 . HIS B 1 162 ? 11.021 26.287 19.255 1.00 16.20 0 B 1 +ATOM 2908 C CE1 . HIS B 1 162 ? 10.573 25.049 19.153 1.00 15.25 0 B 1 +ATOM 2909 N NE2 . HIS B 1 162 ? 9.309 25.031 19.529 1.00 10.85 0 B 1 +ATOM 2910 N N . GLU B 1 163 ? 10.245 31.749 18.880 1.00 15.81 0 B 1 +ATOM 2911 C CA . GLU B 1 163 ? 9.905 33.148 19.121 1.00 25.52 0 B 1 +ATOM 2912 C C . GLU B 1 163 ? 8.949 33.560 18.006 1.00 21.29 0 B 1 +ATOM 2913 O O . GLU B 1 163 ? 8.013 34.322 18.223 1.00 20.65 0 B 1 +ATOM 2914 C CB . GLU B 1 163 ? 11.157 34.021 19.066 1.00 27.23 0 B 1 +ATOM 2915 C CG . GLU B 1 163 ? 11.764 34.343 20.422 1.00 34.34 0 B 1 +ATOM 2916 C CD . GLU B 1 163 ? 10.884 35.262 21.257 1.00 37.64 0 B 1 +ATOM 2917 O OE1 . GLU B 1 163 ? 10.274 36.192 20.684 1.00 39.21 0 B 1 +ATOM 2918 O OE2 . GLU B 1 163 ? 10.814 35.064 22.491 1.00 36.34 0 B 1 +ATOM 2919 N N . VAL B 1 164 ? 9.188 33.024 16.812 1.00 21.83 0 B 1 +ATOM 2920 C CA . VAL B 1 164 ? 8.352 33.307 15.651 1.00 18.91 0 B 1 +ATOM 2921 C C . VAL B 1 164 ? 7.006 32.593 15.788 1.00 21.88 0 B 1 +ATOM 2922 O O . VAL B 1 164 ? 5.963 33.160 15.465 1.00 25.75 0 B 1 +ATOM 2923 C CB . VAL B 1 164 ? 9.043 32.854 14.337 1.00 19.56 0 B 1 +ATOM 2924 C CG1 . VAL B 1 164 ? 8.125 33.090 13.140 1.00 19.33 0 B 1 +ATOM 2925 C CG2 . VAL B 1 164 ? 10.359 33.598 14.150 1.00 17.02 0 B 1 +ATOM 2926 N N . LEU B 1 165 ? 7.035 31.355 16.276 1.00 19.99 0 B 1 +ATOM 2927 C CA . LEU B 1 165 ? 5.817 30.565 16.453 1.00 19.17 0 B 1 +ATOM 2928 C C . LEU B 1 165 ? 4.922 31.116 17.560 1.00 19.58 0 B 1 +ATOM 2929 O O . LEU B 1 165 ? 3.726 31.327 17.360 1.00 17.01 0 B 1 +ATOM 2930 C CB . LEU B 1 165 ? 6.174 29.111 16.768 1.00 20.52 0 B 1 +ATOM 2931 C CG . LEU B 1 165 ? 5.005 28.153 17.012 1.00 22.32 0 B 1 +ATOM 2932 C CD1 . LEU B 1 165 ? 4.270 27.880 15.707 1.00 16.62 0 B 1 +ATOM 2933 C CD2 . LEU B 1 165 ? 5.521 26.859 17.605 1.00 17.85 0 B 1 +ATOM 2934 N N . ALA B 1 166 ? 5.516 31.325 18.731 1.00 20.59 0 B 1 +ATOM 2935 C CA . ALA B 1 166 ? 4.808 31.837 19.896 1.00 13.85 0 B 1 +ATOM 2936 C C . ALA B 1 166 ? 5.573 33.037 20.436 1.00 18.25 0 B 1 +ATOM 2937 O O . ALA B 1 166 ? 6.410 32.898 21.328 1.00 23.89 0 B 1 +ATOM 2938 C CB . ALA B 1 166 ? 4.706 30.753 20.961 1.00 16.69 0 B 1 +ATOM 2939 N N . PRO B 1 167 ? 5.316 34.232 19.875 1.00 22.86 0 B 1 +ATOM 2940 C CA . PRO B 1 167 ? 5.978 35.472 20.294 1.00 26.14 0 B 1 +ATOM 2941 C C . PRO B 1 167 ? 5.890 35.695 21.801 1.00 26.70 0 B 1 +ATOM 2942 O O . PRO B 1 167 ? 4.812 35.612 22.392 1.00 29.22 0 B 1 +ATOM 2943 C CB . PRO B 1 167 ? 5.208 36.542 19.521 1.00 21.52 0 B 1 +ATOM 2944 C CG . PRO B 1 167 ? 4.843 35.834 18.259 1.00 16.71 0 B 1 +ATOM 2945 C CD . PRO B 1 167 ? 4.365 34.497 18.778 1.00 18.57 0 B 1 +ATOM 2946 N N . GLY B 1 168 ? 7.040 35.938 22.419 1.00 25.24 0 B 1 +ATOM 2947 C CA . GLY B 1 168 ? 7.082 36.167 23.850 1.00 21.07 0 B 1 +ATOM 2948 C C . GLY B 1 168 ? 7.144 34.914 24.707 1.00 21.79 0 B 1 +ATOM 2949 O O . GLY B 1 168 ? 7.100 35.012 25.931 1.00 19.89 0 B 1 +ATOM 2950 N N . CYS B 1 169 ? 7.250 33.741 24.083 1.00 23.97 0 B 1 +ATOM 2951 C CA . CYS B 1 169 ? 7.323 32.484 24.830 1.00 24.34 0 B 1 +ATOM 2952 C C . CYS B 1 169 ? 8.541 32.426 25.758 1.00 22.77 0 B 1 +ATOM 2953 O O . CYS B 1 169 ? 8.551 31.667 26.724 1.00 31.69 0 B 1 +ATOM 2954 C CB . CYS B 1 169 ? 7.335 31.282 23.877 1.00 16.41 0 B 1 +ATOM 2955 S SG . CYS B 1 169 ? 8.792 31.171 22.808 1.00 17.08 0 B 1 +ATOM 2956 N N . LEU B 1 170 ? 9.561 33.229 25.461 1.00 24.39 0 B 1 +ATOM 2957 C CA . LEU B 1 170 ? 10.781 33.282 26.271 1.00 20.35 0 B 1 +ATOM 2958 C C . LEU B 1 170 ? 10.742 34.301 27.416 1.00 19.19 0 B 1 +ATOM 2959 O O . LEU B 1 170 ? 11.709 34.420 28.173 1.00 19.72 0 B 1 +ATOM 2960 C CB . LEU B 1 170 ? 11.992 33.575 25.384 1.00 17.15 0 B 1 +ATOM 2961 C CG . LEU B 1 170 ? 12.803 32.394 24.848 1.00 16.80 0 B 1 +ATOM 2962 C CD1 . LEU B 1 170 ? 11.902 31.383 24.160 1.00 10.63 0 B 1 +ATOM 2963 C CD2 . LEU B 1 170 ? 13.872 32.913 23.900 1.00 5.27 0 B 1 +ATOM 2964 N N . ASP B 1 171 ? 9.640 35.040 27.532 1.00 21.29 0 B 1 +ATOM 2965 C CA . ASP B 1 171 ? 9.488 36.048 28.585 1.00 24.45 0 B 1 +ATOM 2966 C C . ASP B 1 171 ? 9.623 35.456 29.982 1.00 23.44 0 B 1 +ATOM 2967 O O . ASP B 1 171 ? 10.257 36.049 30.855 1.00 20.90 0 B 1 +ATOM 2968 C CB . ASP B 1 171 ? 8.133 36.755 28.467 1.00 27.71 0 B 1 +ATOM 2969 C CG . ASP B 1 171 ? 8.071 37.724 27.298 1.00 28.64 0 B 1 +ATOM 2970 O OD1 . ASP B 1 171 ? 9.138 38.086 26.753 1.00 28.32 0 B 1 +ATOM 2971 O OD2 . ASP B 1 171 ? 6.946 38.132 26.930 1.00 31.45 0 B 1 +ATOM 2972 N N . ALA B 1 172 ? 9.037 34.277 30.175 1.00 24.48 0 B 1 +ATOM 2973 C CA . ALA B 1 172 ? 9.076 33.582 31.458 1.00 25.65 0 B 1 +ATOM 2974 C C . ALA B 1 172 ? 10.435 32.960 31.791 1.00 25.01 0 B 1 +ATOM 2975 O O . ALA B 1 172 ? 10.623 32.432 32.886 1.00 23.04 0 B 1 +ATOM 2976 C CB . ALA B 1 172 ? 7.992 32.508 31.491 1.00 30.50 0 B 1 +ATOM 2977 N N . PHE B 1 173 ? 11.381 33.032 30.859 1.00 26.18 0 B 1 +ATOM 2978 C CA . PHE B 1 173 ? 12.701 32.443 31.066 1.00 21.10 0 B 1 +ATOM 2979 C C . PHE B 1 173 ? 13.825 33.463 30.910 1.00 18.78 0 B 1 +ATOM 2980 O O . PHE B 1 173 ? 14.427 33.581 29.844 1.00 20.55 0 B 1 +ATOM 2981 C CB . PHE B 1 173 ? 12.902 31.277 30.094 1.00 21.10 0 B 1 +ATOM 2982 C CG . PHE B 1 173 ? 11.837 30.219 30.191 1.00 23.87 0 B 1 +ATOM 2983 C CD1 . PHE B 1 173 ? 11.906 29.234 31.171 1.00 18.46 0 B 1 +ATOM 2984 C CD2 . PHE B 1 173 ? 10.749 30.229 29.323 1.00 19.08 0 B 1 +ATOM 2985 C CE1 . PHE B 1 173 ? 10.904 28.276 31.290 1.00 14.23 0 B 1 +ATOM 2986 C CE2 . PHE B 1 173 ? 9.740 29.275 29.432 1.00 18.91 0 B 1 +ATOM 2987 C CZ . PHE B 1 173 ? 9.818 28.296 30.419 1.00 25.29 0 B 1 +ATOM 2988 N N . PRO B 1 174 ? 14.159 34.175 31.998 1.00 15.72 0 B 1 +ATOM 2989 C CA . PRO B 1 174 ? 15.211 35.196 32.015 1.00 16.41 0 B 1 +ATOM 2990 C C . PRO B 1 174 ? 16.584 34.781 31.492 1.00 19.36 0 B 1 +ATOM 2991 O O . PRO B 1 174 ? 17.246 35.562 30.809 1.00 21.01 0 B 1 +ATOM 2992 C CB . PRO B 1 174 ? 15.255 35.625 33.487 1.00 16.86 0 B 1 +ATOM 2993 C CG . PRO B 1 174 ? 14.677 34.453 34.223 1.00 16.59 0 B 1 +ATOM 2994 C CD . PRO B 1 174 ? 13.551 34.038 33.333 1.00 14.44 0 B 1 +ATOM 2995 N N . LEU B 1 175 ? 17.018 33.566 31.814 1.00 20.80 0 B 1 +ATOM 2996 C CA . LEU B 1 175 ? 18.320 33.078 31.359 1.00 21.32 0 B 1 +ATOM 2997 C C . LEU B 1 175 ? 18.340 32.767 29.861 1.00 18.16 0 B 1 +ATOM 2998 O O . LEU B 1 175 ? 19.303 33.096 29.170 1.00 13.77 0 B 1 +ATOM 2999 C CB . LEU B 1 175 ? 18.747 31.853 32.170 1.00 23.44 0 B 1 +ATOM 3000 C CG . LEU B 1 175 ? 19.588 32.073 33.435 1.00 21.58 0 B 1 +ATOM 3001 C CD1 . LEU B 1 175 ? 19.345 33.431 34.057 1.00 17.52 0 B 1 +ATOM 3002 C CD2 . LEU B 1 175 ? 19.298 30.969 34.420 1.00 13.25 0 B 1 +ATOM 3003 N N . LEU B 1 176 ? 17.277 32.143 29.359 1.00 17.16 0 B 1 +ATOM 3004 C CA . LEU B 1 176 ? 17.193 31.824 27.939 1.00 17.61 0 B 1 +ATOM 3005 C C . LEU B 1 176 ? 17.136 33.113 27.117 1.00 17.18 0 B 1 +ATOM 3006 O O . LEU B 1 176 ? 17.803 33.221 26.087 1.00 19.88 0 B 1 +ATOM 3007 C CB . LEU B 1 176 ? 15.972 30.946 27.643 1.00 15.69 0 B 1 +ATOM 3008 C CG . LEU B 1 176 ? 16.059 29.481 28.085 1.00 14.41 0 B 1 +ATOM 3009 C CD1 . LEU B 1 176 ? 14.751 28.769 27.786 1.00 11.72 0 B 1 +ATOM 3010 C CD2 . LEU B 1 176 ? 17.216 28.783 27.379 1.00 9.36 0 B 1 +ATOM 3011 N N . SER B 1 177 ? 16.373 34.095 27.598 1.00 15.10 0 B 1 +ATOM 3012 C CA . SER B 1 177 ? 16.242 35.385 26.919 1.00 16.57 0 B 1 +ATOM 3013 C C . SER B 1 177 ? 17.585 36.099 26.816 1.00 18.74 0 B 1 +ATOM 3014 O O . SER B 1 177 ? 17.950 36.600 25.751 1.00 20.73 0 B 1 +ATOM 3015 C CB . SER B 1 177 ? 15.242 36.279 27.653 1.00 16.00 0 B 1 +ATOM 3016 O OG . SER B 1 177 ? 13.941 35.722 27.614 1.00 20.33 0 B 1 +ATOM 3017 N N . ALA B 1 178 ? 18.318 36.141 27.924 1.00 11.58 0 B 1 +ATOM 3018 C CA . ALA B 1 178 ? 19.623 36.786 27.942 1.00 17.06 0 B 1 +ATOM 3019 C C . ALA B 1 178 ? 20.579 36.019 27.036 1.00 14.46 0 B 1 +ATOM 3020 O O . ALA B 1 178 ? 21.392 36.614 26.325 1.00 15.80 0 B 1 +ATOM 3021 C CB . ALA B 1 178 ? 20.168 36.831 29.363 1.00 10.21 0 B 1 +ATOM 3022 N N . TYR B 1 179 ? 20.468 34.693 27.079 1.00 16.71 0 B 1 +ATOM 3023 C CA . TYR B 1 179 ? 21.291 33.784 26.279 1.00 12.14 0 B 1 +ATOM 3024 C C . TYR B 1 179 ? 21.106 34.087 24.790 1.00 7.51 0 B 1 +ATOM 3025 O O . TYR B 1 179 ? 22.082 34.258 24.061 1.00 15.37 0 B 1 +ATOM 3026 C CB . TYR B 1 179 ? 20.892 32.339 26.609 1.00 11.62 0 B 1 +ATOM 3027 C CG . TYR B 1 179 ? 21.514 31.257 25.759 1.00 11.65 0 B 1 +ATOM 3028 C CD1 . TYR B 1 179 ? 22.831 30.842 25.963 1.00 13.48 0 B 1 +ATOM 3029 C CD2 . TYR B 1 179 ? 20.759 30.598 24.786 1.00 10.91 0 B 1 +ATOM 3030 C CE1 . TYR B 1 179 ? 23.378 29.792 25.222 1.00 19.05 0 B 1 +ATOM 3031 C CE2 . TYR B 1 179 ? 21.295 29.549 24.041 1.00 20.66 0 B 1 +ATOM 3032 C CZ . TYR B 1 179 ? 22.598 29.151 24.264 1.00 21.12 0 B 1 +ATOM 3033 O OH . TYR B 1 179 ? 23.110 28.108 23.527 1.00 18.52 0 B 1 +ATOM 3034 N N . VAL B 1 180 ? 19.850 34.194 24.362 1.00 12.90 0 B 1 +ATOM 3035 C CA . VAL B 1 180 ? 19.513 34.500 22.973 1.00 13.81 0 B 1 +ATOM 3036 C C . VAL B 1 180 ? 20.072 35.863 22.559 1.00 20.60 0 B 1 +ATOM 3037 O O . VAL B 1 180 ? 20.697 35.980 21.510 1.00 20.35 0 B 1 +ATOM 3038 C CB . VAL B 1 180 ? 17.978 34.484 22.745 1.00 15.30 0 B 1 +ATOM 3039 C CG1 . VAL B 1 180 ? 17.625 35.055 21.374 1.00 18.53 0 B 1 +ATOM 3040 C CG2 . VAL B 1 180 ? 17.452 33.068 22.856 1.00 16.63 0 B 1 +ATOM 3041 N N . GLY B 1 181 ? 19.865 36.879 23.395 1.00 18.58 0 B 1 +ATOM 3042 C CA . GLY B 1 181 ? 20.361 38.210 23.083 1.00 12.06 0 B 1 +ATOM 3043 C C . GLY B 1 181 ? 21.875 38.254 22.999 1.00 18.34 0 B 1 +ATOM 3044 O O . GLY B 1 181 ? 22.445 38.877 22.102 1.00 22.58 0 B 1 +ATOM 3045 N N . ARG B 1 182 ? 22.522 37.554 23.923 1.00 16.53 0 B 1 +ATOM 3046 C CA . ARG B 1 182 ? 23.978 37.496 23.994 1.00 22.44 0 B 1 +ATOM 3047 C C . ARG B 1 182 ? 24.591 36.826 22.759 1.00 25.73 0 B 1 +ATOM 3048 O O . ARG B 1 182 ? 25.530 37.356 22.162 1.00 27.11 0 B 1 +ATOM 3049 C CB . ARG B 1 182 ? 24.393 36.743 25.260 1.00 19.69 0 B 1 +ATOM 3050 C CG . ARG B 1 182 ? 25.872 36.818 25.602 1.00 21.09 0 B 1 +ATOM 3051 C CD . ARG B 1 182 ? 26.198 35.901 26.779 1.00 22.39 0 B 1 +ATOM 3052 N NE . ARG B 1 182 ? 25.217 36.053 27.848 1.00 22.10 0 B 1 +ATOM 3053 C CZ . ARG B 1 182 ? 24.516 35.055 28.377 1.00 22.91 0 B 1 +ATOM 3054 N NH1 . ARG B 1 182 ? 24.685 33.808 27.956 1.00 16.66 0 B 1 +ATOM 3055 N NH2 . ARG B 1 182 ? 23.594 35.315 29.291 1.00 29.17 0 B 1 +ATOM 3056 N N . LEU B 1 183 ? 24.069 35.659 22.384 1.00 26.25 0 B 1 +ATOM 3057 C CA . LEU B 1 183 ? 24.586 34.942 21.220 1.00 22.67 0 B 1 +ATOM 3058 C C . LEU B 1 183 ? 24.290 35.679 19.910 1.00 18.30 0 B 1 +ATOM 3059 O O . LEU B 1 183 ? 25.139 35.736 19.024 1.00 13.93 0 B 1 +ATOM 3060 C CB . LEU B 1 183 ? 24.045 33.510 21.165 1.00 22.19 0 B 1 +ATOM 3061 C CG . LEU B 1 183 ? 24.545 32.516 22.220 1.00 22.41 0 B 1 +ATOM 3062 C CD1 . LEU B 1 183 ? 24.214 31.104 21.769 1.00 20.64 0 B 1 +ATOM 3063 C CD2 . LEU B 1 183 ? 26.046 32.644 22.408 1.00 19.56 0 B 1 +ATOM 3064 N N . SER B 1 184 ? 23.088 36.246 19.806 1.00 19.36 0 B 1 +ATOM 3065 C CA . SER B 1 184 ? 22.673 37.002 18.627 1.00 20.42 0 B 1 +ATOM 3066 C C . SER B 1 184 ? 23.539 38.243 18.419 1.00 20.33 0 B 1 +ATOM 3067 O O . SER B 1 184 ? 23.526 38.835 17.337 1.00 12.83 0 B 1 +ATOM 3068 C CB . SER B 1 184 ? 21.222 37.457 18.768 1.00 15.74 0 B 1 +ATOM 3069 O OG . SER B 1 184 ? 20.335 36.362 18.844 1.00 16.70 0 B 1 +ATOM 3070 N N . ALA B 1 185 ? 24.266 38.642 19.462 1.00 18.29 0 B 1 +ATOM 3071 C CA . ALA B 1 185 ? 25.122 39.823 19.411 1.00 23.43 0 B 1 +ATOM 3072 C C . ALA B 1 185 ? 26.542 39.550 18.918 1.00 26.18 0 B 1 +ATOM 3073 O O . ALA B 1 185 ? 27.303 40.486 18.666 1.00 24.92 0 B 1 +ATOM 3074 C CB . ALA B 1 185 ? 25.160 40.503 20.777 1.00 20.43 0 B 1 +ATOM 3075 N N . ARG B 1 186 ? 26.911 38.278 18.801 1.00 26.18 0 B 1 +ATOM 3076 C CA . ARG B 1 186 ? 28.247 37.925 18.324 1.00 26.64 0 B 1 +ATOM 3077 C C . ARG B 1 186 ? 28.400 38.520 16.923 1.00 28.41 0 B 1 +ATOM 3078 O O . ARG B 1 186 ? 27.537 38.330 16.069 1.00 30.13 0 B 1 +ATOM 3079 C CB . ARG B 1 186 ? 28.419 36.402 18.319 1.00 23.40 0 B 1 +ATOM 3080 C CG . ARG B 1 186 ? 28.309 35.792 19.719 1.00 18.60 0 B 1 +ATOM 3081 C CD . ARG B 1 186 ? 28.265 34.267 19.701 1.00 20.48 0 B 1 +ATOM 3082 N NE . ARG B 1 186 ? 29.456 33.685 19.091 1.00 25.07 0 B 1 +ATOM 3083 C CZ . ARG B 1 186 ? 30.578 33.396 19.744 1.00 26.64 0 B 1 +ATOM 3084 N NH1 . ARG B 1 186 ? 30.676 33.621 21.050 1.00 19.44 0 B 1 +ATOM 3085 N NH2 . ARG B 1 186 ? 31.604 32.869 19.090 1.00 23.60 0 B 1 +ATOM 3086 N N . PRO B 1 187 ? 29.488 39.274 16.686 1.00 30.59 0 B 1 +ATOM 3087 C CA . PRO B 1 187 ? 29.827 39.950 15.425 1.00 26.44 0 B 1 +ATOM 3088 C C . PRO B 1 187 ? 29.441 39.247 14.115 1.00 21.46 0 B 1 +ATOM 3089 O O . PRO B 1 187 ? 28.553 39.717 13.390 1.00 24.71 0 B 1 +ATOM 3090 C CB . PRO B 1 187 ? 31.335 40.139 15.548 1.00 30.16 0 B 1 +ATOM 3091 C CG . PRO B 1 187 ? 31.496 40.416 16.994 1.00 27.07 0 B 1 +ATOM 3092 C CD . PRO B 1 187 ? 30.617 39.361 17.630 1.00 28.27 0 B 1 +ATOM 3093 N N . LYS B 1 188 ? 30.106 38.132 13.817 1.00 21.60 0 B 1 +ATOM 3094 C CA . LYS B 1 188 ? 29.845 37.374 12.593 1.00 18.43 0 B 1 +ATOM 3095 C C . LYS B 1 188 ? 28.436 36.797 12.510 1.00 18.26 0 B 1 +ATOM 3096 O O . LYS B 1 188 ? 27.838 36.774 11.434 1.00 20.91 0 B 1 +ATOM 3097 C CB . LYS B 1 188 ? 30.881 36.265 12.427 1.00 18.51 0 B 1 +ATOM 3098 C CG . LYS B 1 188 ? 32.297 36.785 12.316 1.00 24.79 0 B 1 +ATOM 3099 C CD . LYS B 1 188 ? 33.317 35.663 12.365 1.00 29.19 0 B 1 +ATOM 3100 C CE . LYS B 1 188 ? 34.731 36.219 12.413 1.00 30.22 0 B 1 +ATOM 3101 N NZ . LYS B 1 188 ? 34.991 37.115 11.248 1.00 37.51 0 B 1 +ATOM 3102 N N . LEU B 1 189 ? 27.900 36.357 13.647 1.00 21.29 0 B 1 +ATOM 3103 C CA . LEU B 1 189 ? 26.554 35.785 13.697 1.00 18.96 0 B 1 +ATOM 3104 C C . LEU B 1 189 ? 25.487 36.847 13.462 1.00 17.64 0 B 1 +ATOM 3105 O O . LEU B 1 189 ? 24.491 36.594 12.780 1.00 21.16 0 B 1 +ATOM 3106 C CB . LEU B 1 189 ? 26.301 35.116 15.050 1.00 20.25 0 B 1 +ATOM 3107 C CG . LEU B 1 189 ? 25.680 33.717 15.053 1.00 20.25 0 B 1 +ATOM 3108 C CD1 . LEU B 1 189 ? 25.217 33.395 16.463 1.00 16.53 0 B 1 +ATOM 3109 C CD2 . LEU B 1 189 ? 24.513 33.625 14.092 1.00 14.65 0 B 1 +ATOM 3110 N N . LYS B 1 190 ? 25.695 38.025 14.049 1.00 14.01 0 B 1 +ATOM 3111 C CA . LYS B 1 190 ? 24.762 39.142 13.912 1.00 16.31 0 B 1 +ATOM 3112 C C . LYS B 1 190 ? 24.663 39.571 12.448 1.00 14.21 0 B 1 +ATOM 3113 O O . LYS B 1 190 ? 23.568 39.802 11.932 1.00 17.24 0 B 1 +ATOM 3114 C CB . LYS B 1 190 ? 25.213 40.329 14.764 1.00 22.64 0 B 1 +ATOM 3115 C CG . LYS B 1 190 ? 24.250 41.493 14.713 1.00 23.47 0 B 1 +ATOM 3116 C CD . LYS B 1 190 ? 24.779 42.685 15.469 1.00 31.13 0 B 1 +ATOM 3117 C CE . LYS B 1 190 ? 23.784 43.830 15.405 1.00 33.37 0 B 1 +ATOM 3118 N NZ . LYS B 1 190 ? 24.286 45.018 16.141 1.00 40.48 0 B 1 +ATOM 3119 N N . ALA B 1 191 ? 25.819 39.665 11.794 1.00 15.99 0 B 1 +ATOM 3120 C CA . ALA B 1 191 ? 25.898 40.042 10.385 1.00 18.03 0 B 1 +ATOM 3121 C C . ALA B 1 191 ? 25.154 39.015 9.527 1.00 20.66 0 B 1 +ATOM 3122 O O . ALA B 1 191 ? 24.355 39.377 8.661 1.00 26.50 0 B 1 +ATOM 3123 C CB . ALA B 1 191 ? 27.357 40.133 9.957 1.00 14.30 0 B 1 +ATOM 3124 N N . PHE B 1 192 ? 25.393 37.733 9.803 1.00 22.15 0 B 1 +ATOM 3125 C CA . PHE B 1 192 ? 24.747 36.647 9.071 1.00 14.39 0 B 1 +ATOM 3126 C C . PHE B 1 192 ? 23.232 36.623 9.256 1.00 11.67 0 B 1 +ATOM 3127 O O . PHE B 1 192 ? 22.489 36.459 8.290 1.00 19.68 0 B 1 +ATOM 3128 C CB . PHE B 1 192 ? 25.346 35.292 9.473 1.00 19.55 0 B 1 +ATOM 3129 C CG . PHE B 1 192 ? 24.670 34.111 8.822 1.00 19.45 0 B 1 +ATOM 3130 C CD1 . PHE B 1 192 ? 24.921 33.794 7.488 1.00 15.14 0 B 1 +ATOM 3131 C CD2 . PHE B 1 192 ? 23.762 33.329 9.536 1.00 17.19 0 B 1 +ATOM 3132 C CE1 . PHE B 1 192 ? 24.274 32.721 6.871 1.00 12.58 0 B 1 +ATOM 3133 C CE2 . PHE B 1 192 ? 23.110 32.256 8.930 1.00 14.15 0 B 1 +ATOM 3134 C CZ . PHE B 1 192 ? 23.367 31.951 7.593 1.00 12.14 0 B 1 +ATOM 3135 N N . LEU B 1 193 ? 22.773 36.789 10.492 1.00 13.49 0 B 1 +ATOM 3136 C CA . LEU B 1 193 ? 21.336 36.771 10.775 1.00 15.50 0 B 1 +ATOM 3137 C C . LEU B 1 193 ? 20.581 37.923 10.123 1.00 19.11 0 B 1 +ATOM 3138 O O . LEU B 1 193 ? 19.370 37.834 9.914 1.00 24.51 0 B 1 +ATOM 3139 C CB . LEU B 1 193 ? 21.076 36.772 12.286 1.00 12.08 0 B 1 +ATOM 3140 C CG . LEU B 1 193 ? 21.483 35.511 13.052 1.00 15.18 0 B 1 +ATOM 3141 C CD1 . LEU B 1 193 ? 21.284 35.724 14.541 1.00 8.36 0 B 1 +ATOM 3142 C CD2 . LEU B 1 193 ? 20.676 34.320 12.567 1.00 6.63 0 B 1 +ATOM 3143 N N . ALA B 1 194 ? 21.300 38.993 9.790 1.00 18.65 0 B 1 +ATOM 3144 C CA . ALA B 1 194 ? 20.686 40.157 9.166 1.00 19.38 0 B 1 +ATOM 3145 C C . ALA B 1 194 ? 20.754 40.134 7.639 1.00 19.83 0 B 1 +ATOM 3146 O O . ALA B 1 194 ? 20.049 40.896 6.977 1.00 23.33 0 B 1 +ATOM 3147 C CB . ALA B 1 194 ? 21.328 41.430 9.699 1.00 15.24 0 B 1 +ATOM 3148 N N . SER B 1 195 ? 21.581 39.247 7.087 1.00 21.13 0 B 1 +ATOM 3149 C CA . SER B 1 195 ? 21.767 39.134 5.634 1.00 17.90 0 B 1 +ATOM 3150 C C . SER B 1 195 ? 20.570 38.551 4.875 1.00 23.92 0 B 1 +ATOM 3151 O O . SER B 1 195 ? 19.751 37.834 5.450 1.00 22.17 0 B 1 +ATOM 3152 C CB . SER B 1 195 ? 23.009 38.296 5.336 1.00 15.47 0 B 1 +ATOM 3153 O OG . SER B 1 195 ? 22.754 36.920 5.553 1.00 21.25 0 B 1 +ATOM 3154 N N . PRO B 1 196 ? 20.459 38.850 3.566 1.00 25.26 0 B 1 +ATOM 3155 C CA . PRO B 1 196 ? 19.368 38.363 2.712 1.00 23.00 0 B 1 +ATOM 3156 C C . PRO B 1 196 ? 19.424 36.837 2.613 1.00 21.73 0 B 1 +ATOM 3157 O O . PRO B 1 196 ? 18.404 36.167 2.472 1.00 18.53 0 B 1 +ATOM 3158 C CB . PRO B 1 196 ? 19.684 38.997 1.354 1.00 24.29 0 B 1 +ATOM 3159 C CG . PRO B 1 196 ? 20.451 40.225 1.711 1.00 20.55 0 B 1 +ATOM 3160 C CD . PRO B 1 196 ? 21.359 39.731 2.794 1.00 15.32 0 B 1 +ATOM 3161 N N . GLU B 1 197 ? 20.648 36.319 2.669 1.00 20.96 0 B 1 +ATOM 3162 C CA . GLU B 1 197 ? 20.949 34.893 2.601 1.00 22.86 0 B 1 +ATOM 3163 C C . GLU B 1 197 ? 20.135 34.114 3.635 1.00 26.46 0 B 1 +ATOM 3164 O O . GLU B 1 197 ? 19.642 33.013 3.363 1.00 21.00 0 B 1 +ATOM 3165 C CB . GLU B 1 197 ? 22.436 34.720 2.888 1.00 26.21 0 B 1 +ATOM 3166 C CG . GLU B 1 197 ? 23.027 33.392 2.540 1.00 28.84 0 B 1 +ATOM 3167 C CD . GLU B 1 197 ? 24.517 33.359 2.798 1.00 25.99 0 B 1 +ATOM 3168 O OE1 . GLU B 1 197 ? 25.173 34.412 2.628 1.00 25.70 0 B 1 +ATOM 3169 O OE2 . GLU B 1 197 ? 25.031 32.280 3.159 1.00 29.94 0 B 1 +ATOM 3170 N N . TYR B 1 198 ? 20.005 34.702 4.823 1.00 27.33 0 B 1 +ATOM 3171 C CA . TYR B 1 198 ? 19.261 34.105 5.923 1.00 19.34 0 B 1 +ATOM 3172 C C . TYR B 1 198 ? 17.818 34.610 5.957 1.00 20.19 0 B 1 +ATOM 3173 O O . TYR B 1 198 ? 16.867 33.826 5.883 1.00 20.35 0 B 1 +ATOM 3174 C CB . TYR B 1 198 ? 19.967 34.420 7.254 1.00 15.45 0 B 1 +ATOM 3175 C CG . TYR B 1 198 ? 19.226 33.955 8.490 1.00 12.17 0 B 1 +ATOM 3176 C CD1 . TYR B 1 198 ? 19.427 32.677 9.012 1.00 9.87 0 B 1 +ATOM 3177 C CD2 . TYR B 1 198 ? 18.309 34.789 9.127 1.00 15.82 0 B 1 +ATOM 3178 C CE1 . TYR B 1 198 ? 18.727 32.239 10.140 1.00 12.46 0 B 1 +ATOM 3179 C CE2 . TYR B 1 198 ? 17.608 34.367 10.249 1.00 21.35 0 B 1 +ATOM 3180 C CZ . TYR B 1 198 ? 17.817 33.092 10.750 1.00 17.33 0 B 1 +ATOM 3181 O OH . TYR B 1 198 ? 17.103 32.675 11.849 1.00 19.87 0 B 1 +ATOM 3182 N N . VAL B 1 199 ? 17.670 35.927 6.049 1.00 19.14 0 B 1 +ATOM 3183 C CA . VAL B 1 199 ? 16.366 36.582 6.134 1.00 19.10 0 B 1 +ATOM 3184 C C . VAL B 1 199 ? 15.352 36.264 5.038 1.00 17.68 0 B 1 +ATOM 3185 O O . VAL B 1 199 ? 14.171 36.078 5.326 1.00 18.04 0 B 1 +ATOM 3186 C CB . VAL B 1 199 ? 16.534 38.123 6.238 1.00 20.97 0 B 1 +ATOM 3187 C CG1 . VAL B 1 199 ? 15.184 38.817 6.206 1.00 20.99 0 B 1 +ATOM 3188 C CG2 . VAL B 1 199 ? 17.271 38.484 7.512 1.00 17.13 0 B 1 +ATOM 3189 N N . ASN B 1 200 ? 15.803 36.184 3.790 1.00 21.55 0 B 1 +ATOM 3190 C CA . ASN B 1 200 ? 14.886 35.928 2.675 1.00 25.18 0 B 1 +ATOM 3191 C C . ASN B 1 200 ? 14.529 34.473 2.387 1.00 24.64 0 B 1 +ATOM 3192 O O . ASN B 1 200 ? 13.881 34.168 1.385 1.00 25.69 0 B 1 +ATOM 3193 C CB . ASN B 1 200 ? 15.377 36.642 1.412 1.00 24.45 0 B 1 +ATOM 3194 C CG . ASN B 1 200 ? 15.353 38.154 1.561 1.00 27.13 0 B 1 +ATOM 3195 N ND2 . ASN B 1 200 ? 16.351 38.828 1.000 1.00 28.21 0 B 1 +ATOM 3196 O OD1 . ASN B 1 200 ? 14.457 38.706 2.201 1.00 23.60 0 B 1 +ATOM 3197 N N . LEU B 1 201 ? 14.936 33.584 3.283 1.00 20.73 0 B 1 +ATOM 3198 C CA . LEU B 1 201 ? 14.641 32.164 3.155 1.00 15.96 0 B 1 +ATOM 3199 C C . LEU B 1 201 ? 13.515 31.839 4.129 1.00 19.98 0 B 1 +ATOM 3200 O O . LEU B 1 201 ? 13.528 32.304 5.271 1.00 25.50 0 B 1 +ATOM 3201 C CB . LEU B 1 201 ? 15.881 31.355 3.532 1.00 15.95 0 B 1 +ATOM 3202 C CG . LEU B 1 201 ? 16.493 30.419 2.496 1.00 18.38 0 B 1 +ATOM 3203 C CD1 . LEU B 1 201 ? 16.619 31.110 1.151 1.00 16.86 0 B 1 +ATOM 3204 C CD2 . LEU B 1 201 ? 17.848 29.953 3.002 1.00 12.46 0 B 1 +ATOM 3205 N N . PRO B 1 202 ? 12.488 31.097 3.676 1.00 18.50 0 B 1 +ATOM 3206 C CA . PRO B 1 202 ? 11.390 30.756 4.594 1.00 15.12 0 B 1 +ATOM 3207 C C . PRO B 1 202 ? 11.907 29.747 5.625 1.00 15.58 0 B 1 +ATOM 3208 O O . PRO B 1 202 ? 12.851 29.003 5.345 1.00 16.38 0 B 1 +ATOM 3209 C CB . PRO B 1 202 ? 10.350 30.134 3.662 1.00 14.29 0 B 1 +ATOM 3210 C CG . PRO B 1 202 ? 11.187 29.505 2.596 1.00 16.63 0 B 1 +ATOM 3211 C CD . PRO B 1 202 ? 12.232 30.566 2.328 1.00 16.20 0 B 1 +ATOM 3212 N N . ILE B 1 203 ? 11.325 29.746 6.822 1.00 14.53 0 B 1 +ATOM 3213 C CA . ILE B 1 203 ? 11.769 28.824 7.865 1.00 18.40 0 B 1 +ATOM 3214 C C . ILE B 1 203 ? 11.506 27.368 7.468 1.00 23.26 0 B 1 +ATOM 3215 O O . ILE B 1 203 ? 12.410 26.528 7.505 1.00 23.19 0 B 1 +ATOM 3216 C CB . ILE B 1 203 ? 11.087 29.126 9.234 1.00 12.52 0 B 1 +ATOM 3217 C CG1 . ILE B 1 203 ? 11.539 30.496 9.751 1.00 13.41 0 B 1 +ATOM 3218 C CG2 . ILE B 1 203 ? 11.443 28.047 10.257 1.00 10.56 0 B 1 +ATOM 3219 C CD1 . ILE B 1 203 ? 10.893 30.904 11.060 1.00 12.66 0 B 1 +ATOM 3220 N N . ASN B 1 204 ? 10.273 27.098 7.053 1.00 26.24 0 B 1 +ATOM 3221 C CA . ASN B 1 204 ? 9.868 25.757 6.658 1.00 19.80 0 B 1 +ATOM 3222 C C . ASN B 1 204 ? 9.429 25.659 5.195 1.00 21.93 0 B 1 +ATOM 3223 O O . ASN B 1 204 ? 9.132 26.666 4.548 1.00 22.04 0 B 1 +ATOM 3224 C CB . ASN B 1 204 ? 8.749 25.268 7.586 1.00 18.30 0 B 1 +ATOM 3225 C CG . ASN B 1 204 ? 9.135 25.365 9.053 1.00 14.35 0 B 1 +ATOM 3226 N ND2 . ASN B 1 204 ? 8.392 26.159 9.813 1.00 7.66 0 B 1 +ATOM 3227 O OD1 . ASN B 1 204 ? 10.094 24.730 9.492 1.00 21.92 0 B 1 +ATOM 3228 N N . GLY B 1 205 ? 9.396 24.430 4.688 1.00 26.54 0 B 1 +ATOM 3229 C CA . GLY B 1 205 ? 9.018 24.184 3.311 1.00 24.22 0 B 1 +ATOM 3230 C C . GLY B 1 205 ? 7.556 24.355 2.944 1.00 26.89 0 B 1 +ATOM 3231 O O . GLY B 1 205 ? 7.223 24.334 1.761 1.00 27.16 0 B 1 +ATOM 3232 N N . ASN B 1 206 ? 6.676 24.527 3.925 1.00 23.46 0 B 1 +ATOM 3233 C CA . ASN B 1 206 ? 5.256 24.695 3.624 1.00 25.80 0 B 1 +ATOM 3234 C C . ASN B 1 206 ? 4.724 26.105 3.889 1.00 28.61 0 B 1 +ATOM 3235 O O . ASN B 1 206 ? 3.511 26.327 3.918 1.00 25.95 0 B 1 +ATOM 3236 C CB . ASN B 1 206 ? 4.406 23.646 4.359 1.00 24.67 0 B 1 +ATOM 3237 C CG . ASN B 1 206 ? 4.395 23.837 5.869 1.00 28.71 0 B 1 +ATOM 3238 N ND2 . ASN B 1 206 ? 3.457 23.173 6.537 1.00 24.47 0 B 1 +ATOM 3239 O OD1 . ASN B 1 206 ? 5.209 24.572 6.426 1.00 27.42 0 B 1 +ATOM 3240 N N . GLY B 1 207 ? 5.634 27.054 4.089 1.00 33.24 0 B 1 +ATOM 3241 C CA . GLY B 1 207 ? 5.230 28.428 4.331 1.00 36.25 0 B 1 +ATOM 3242 C C . GLY B 1 207 ? 4.623 28.715 5.693 1.00 34.91 0 B 1 +ATOM 3243 O O . GLY B 1 207 ? 4.155 29.828 5.936 1.00 38.54 0 B 1 +ATOM 3244 N N . LYS B 1 208 ? 4.597 27.717 6.571 1.00 28.00 0 B 1 +ATOM 3245 C CA . LYS B 1 208 ? 4.056 27.909 7.911 1.00 23.51 0 B 1 +ATOM 3246 C C . LYS B 1 208 ? 5.206 28.170 8.878 1.00 24.82 0 B 1 +ATOM 3247 O O . LYS B 1 208 ? 6.328 27.720 8.647 1.00 26.76 0 B 1 +ATOM 3248 C CB . LYS B 1 208 ? 3.233 26.695 8.341 1.00 25.92 0 B 1 +ATOM 3249 C CG . LYS B 1 208 ? 2.007 26.480 7.474 1.00 30.95 0 B 1 +ATOM 3250 C CD . LYS B 1 208 ? 1.195 25.291 7.926 1.00 34.64 0 B 1 +ATOM 3251 C CE . LYS B 1 208 ? -0.012 25.107 7.027 1.00 35.28 0 B 1 +ATOM 3252 N NZ . LYS B 1 208 ? -0.843 23.951 7.447 1.00 28.67 0 B 1 +ATOM 3253 N N . GLN B 1 209 ? 4.930 28.935 9.932 1.00 24.80 0 B 1 +ATOM 3254 C CA . GLN B 1 209 ? 5.937 29.288 10.932 1.00 22.99 0 B 1 +ATOM 3255 C C . GLN B 1 209 ? 5.293 29.857 12.198 1.00 24.33 0 B 1 +ATOM 3256 O O . GLN B 1 209 ? 6.039 30.248 13.126 1.00 24.66 0 B 1 +ATOM 3257 C CB . GLN B 1 209 ? 6.903 30.317 10.352 1.00 21.13 0 B 1 +ATOM 3258 C CG . GLN B 1 209 ? 6.206 31.505 9.726 1.00 21.64 0 B 1 +ATOM 3259 C CD . GLN B 1 209 ? 7.146 32.636 9.396 1.00 23.83 0 B 1 +ATOM 3260 N NE2 . GLN B 1 209 ? 8.237 32.319 8.697 1.00 29.73 0 B 1 +ATOM 3261 O OE1 . GLN B 1 209 ? 6.914 33.780 9.783 1.00 34.40 0 B 1 +ATOM 3262 O OXT . GLN B 1 209 ? 4.045 29.916 12.245 1.00 27.65 0 B 1 +HETATM 3263 N N . VWW C 2 210 ? 15.088 10.798 23.547 1.00 14.90 0 A 1 +HETATM 3264 C CA . VWW C 2 210 ? 15.010 9.987 24.792 1.00 20.92 0 A 1 +HETATM 3265 C CA1 . VWW C 2 210 ? 10.472 6.967 27.934 1.00 24.20 0 A 1 +HETATM 3266 C CA2 . VWW C 2 210 ? 7.740 7.933 30.366 1.00 24.25 0 A 1 +HETATM 3267 C C . VWW C 2 210 ? 16.115 8.924 24.830 1.00 21.55 0 A 1 +HETATM 3268 O O . VWW C 2 210 ? 16.520 8.515 25.940 1.00 17.16 0 A 1 +HETATM 3269 C CB . VWW C 2 210 ? 13.635 9.327 24.908 1.00 14.23 0 A 1 +HETATM 3270 C CB1 . VWW C 2 210 ? 10.726 5.484 28.206 1.00 26.79 0 A 1 +HETATM 3271 C CB2 . VWW C 2 210 ? 6.555 7.062 30.633 1.00 24.94 0 A 1 +HETATM 3272 C CG . VWW C 2 210 ? 13.394 8.708 26.271 1.00 18.34 0 A 1 +HETATM 3273 C CG1 . VWW C 2 210 ? 5.330 7.315 30.027 1.00 25.47 0 A 1 +HETATM 3274 C CG2 . VWW C 2 210 ? 6.683 5.941 31.441 1.00 26.11 0 A 1 +HETATM 3275 S SG . VWW C 2 210 ? 11.291 4.524 26.810 1.00 31.02 0 A 1 +HETATM 3276 C CD . VWW C 2 210 ? 12.045 8.046 26.402 1.00 18.27 0 A 1 +HETATM 3277 C CD1 . VWW C 2 210 ? 9.729 3.804 26.262 1.00 32.02 0 A 1 +HETATM 3278 C CD11 . VWW C 2 210 ? 4.250 6.459 30.220 1.00 26.21 0 A 1 +HETATM 3279 C CD2 . VWW C 2 210 ? 5.611 5.081 31.640 1.00 25.33 0 A 1 +HETATM 3280 C CE . VWW C 2 210 ? 8.930 3.171 27.370 1.00 33.22 0 A 1 +HETATM 3281 C CE1 . VWW C 2 210 ? 4.392 5.339 31.027 1.00 24.08 0 A 1 +HETATM 3282 O OE1 . VWW C 2 210 ? 11.293 7.936 25.435 1.00 19.98 0 A 1 +HETATM 3283 C CZ1 . VWW C 2 210 ? 7.640 3.614 27.650 1.00 35.26 0 A 1 +HETATM 3284 C CZ2 . VWW C 2 210 ? 9.464 2.135 28.133 1.00 31.51 0 A 1 +HETATM 3285 C CH . VWW C 2 210 ? 7.437 2.001 29.430 1.00 30.54 0 A 1 +HETATM 3286 O OXT . VWW C 2 210 ? 16.578 8.524 23.744 1.00 21.48 0 A 1 +HETATM 3287 O OXT1 . VWW C 2 210 ? 7.569 10.068 29.284 1.00 29.96 0 A 1 +HETATM 3288 C C1 . VWW C 2 210 ? 9.834 7.550 29.180 1.00 22.41 0 A 1 +HETATM 3289 N N1 . VWW C 2 210 ? 11.726 7.642 27.628 1.00 23.67 0 A 1 +HETATM 3290 O O1 . VWW C 2 210 ? 10.522 8.023 30.084 1.00 21.77 0 A 1 +HETATM 3291 C C2 . VWW C 2 210 ? 7.452 9.433 30.354 1.00 29.42 0 A 1 +HETATM 3292 N N2 . VWW C 2 210 ? 8.512 7.468 29.229 1.00 21.35 0 A 1 +HETATM 3293 O O2 . VWW C 2 210 ? 7.116 9.957 31.433 1.00 30.71 0 A 1 +HETATM 3294 C CT1 . VWW C 2 210 ? 6.893 3.037 28.673 1.00 35.56 0 A 1 +HETATM 3295 C CT2 . VWW C 2 210 ? 8.723 1.550 29.161 1.00 27.28 0 A 1 +HETATM 3296 O O1 . MES D 3 211 ? 22.426 -6.667 36.176 1.00 47.79 0 A 1 +HETATM 3297 O O1S . MES D 3 211 ? 27.719 -9.006 31.068 1.00 60.43 0 A 1 +HETATM 3298 C C2 . MES D 3 211 ? 22.801 -7.743 37.079 1.00 46.49 0 A 1 +HETATM 3299 O O2S . MES D 3 211 ? 26.255 -11.032 31.776 1.00 58.34 0 A 1 +HETATM 3300 C C3 . MES D 3 211 ? 23.908 -8.618 36.449 1.00 45.47 0 A 1 +HETATM 3301 O O3S . MES D 3 211 ? 28.102 -10.124 33.414 1.00 56.85 0 A 1 +HETATM 3302 N N4 . MES D 3 211 ? 24.406 -8.004 35.114 1.00 49.73 0 A 1 +HETATM 3303 C C5 . MES D 3 211 ? 24.696 -6.484 35.214 1.00 41.90 0 A 1 +HETATM 3304 C C6 . MES D 3 211 ? 23.492 -5.734 35.827 1.00 45.08 0 A 1 +HETATM 3305 C C7 . MES D 3 211 ? 25.584 -8.790 34.500 1.00 49.89 0 A 1 +HETATM 3306 C C8 . MES D 3 211 ? 25.740 -8.580 32.981 1.00 55.35 0 A 1 +HETATM 3307 S S . MES D 3 211 ? 26.952 -9.695 32.274 1.00 57.16 0 A 1 +HETATM 3308 N N . VWW E 2 210 ? 17.077 12.945 10.162 1.00 16.89 0 B 1 +HETATM 3309 C CA . VWW E 2 210 ? 17.306 13.763 8.940 1.00 21.84 0 B 1 +HETATM 3310 C CA1 . VWW E 2 210 ? 13.684 16.374 4.504 1.00 22.40 0 B 1 +HETATM 3311 C CA2 . VWW E 2 210 ? 11.953 15.187 1.357 1.00 26.47 0 B 1 +HETATM 3312 C C . VWW E 2 210 ? 18.253 14.931 9.229 1.00 24.69 0 B 1 +HETATM 3313 O O . VWW E 2 210 ? 18.940 15.391 8.288 1.00 19.58 0 B 1 +HETATM 3314 C CB . VWW E 2 210 ? 15.973 14.285 8.391 1.00 21.52 0 B 1 +HETATM 3315 C CB1 . VWW E 2 210 ? 13.860 17.880 4.304 1.00 25.98 0 B 1 +HETATM 3316 C CB2 . VWW E 2 210 ? 10.828 15.943 0.724 1.00 27.64 0 B 1 +HETATM 3317 C CG . VWW E 2 210 ? 16.106 14.903 7.011 1.00 21.74 0 B 1 +HETATM 3318 C CG1 . VWW E 2 210 ? 9.506 15.556 0.922 1.00 28.67 0 B 1 +HETATM 3319 C CG2 . VWW E 2 210 ? 11.088 17.086 -0.019 1.00 27.10 0 B 1 +HETATM 3320 S SG . VWW E 2 210 ? 13.864 18.870 5.795 1.00 35.19 0 B 1 +HETATM 3321 C CD . VWW E 2 210 ? 14.805 15.431 6.460 1.00 19.99 0 B 1 +HETATM 3322 C CD1 . VWW E 2 210 ? 12.146 19.418 5.816 1.00 31.95 0 B 1 +HETATM 3323 C CD11 . VWW E 2 210 ? 8.460 16.304 0.392 1.00 26.56 0 B 1 +HETATM 3324 C CD2 . VWW E 2 210 ? 10.051 17.840 -0.551 1.00 27.11 0 B 1 +HETATM 3325 C CE . VWW E 2 210 ? 11.671 19.986 4.505 1.00 31.48 0 B 1 +HETATM 3326 C CE1 . VWW E 2 210 ? 8.734 17.449 -0.345 1.00 24.74 0 B 1 +HETATM 3327 O OE1 . VWW E 2 210 ? 13.783 15.449 7.146 1.00 22.91 0 B 1 +HETATM 3328 C CZ1 . VWW E 2 210 ? 10.584 19.426 3.847 1.00 31.71 0 B 1 +HETATM 3329 C CZ2 . VWW E 2 210 ? 12.309 21.081 3.929 1.00 30.47 0 B 1 +HETATM 3330 C CH . VWW E 2 210 ? 10.781 21.040 2.071 1.00 29.23 0 B 1 +HETATM 3331 O OXT . VWW E 2 210 ? 18.308 15.365 10.399 1.00 24.44 0 B 1 +HETATM 3332 O OXT1 . VWW E 2 210 ? 11.666 13.022 2.358 1.00 31.09 0 B 1 +HETATM 3333 C C1 . VWW E 2 210 ? 13.527 15.754 3.130 1.00 22.49 0 B 1 +HETATM 3334 N N1 . VWW E 2 210 ? 14.842 15.822 5.191 1.00 19.67 0 B 1 +HETATM 3335 O O1 . VWW E 2 210 ? 14.506 15.367 2.491 1.00 21.23 0 B 1 +HETATM 3336 C C2 . VWW E 2 210 ? 11.827 13.665 1.299 1.00 32.59 0 B 1 +HETATM 3337 N N2 . VWW E 2 210 ? 12.284 15.705 2.672 1.00 24.26 0 B 1 +HETATM 3338 O O2 . VWW E 2 210 ? 11.904 13.131 0.176 1.00 37.14 0 B 1 +HETATM 3339 C CT1 . VWW E 2 210 ? 10.137 19.946 2.637 1.00 34.94 0 B 1 +HETATM 3340 C CT2 . VWW E 2 210 ? 11.868 21.609 2.717 1.00 29.43 0 B 1 +HETATM 3341 O O1 . MES F 3 211 ? 26.183 31.272 0.193 1.00 47.12 0 B 1 +HETATM 3342 O O1S . MES F 3 211 ? 29.363 34.038 6.659 1.00 62.19 0 B 1 +HETATM 3343 C C2 . MES F 3 211 ? 26.710 32.396 -0.566 1.00 47.61 0 B 1 +HETATM 3344 O O2S . MES F 3 211 ? 28.000 35.922 5.502 1.00 57.67 0 B 1 +HETATM 3345 C C3 . MES F 3 211 ? 27.473 33.366 0.366 1.00 47.56 0 B 1 +HETATM 3346 O O3S . MES F 3 211 ? 30.342 35.231 4.534 1.00 60.73 0 B 1 +HETATM 3347 N N4 . MES F 3 211 ? 27.589 32.781 1.797 1.00 49.71 0 B 1 +HETATM 3348 C C5 . MES F 3 211 ? 28.048 31.299 1.811 1.00 44.05 0 B 1 +HETATM 3349 C C6 . MES F 3 211 ? 27.174 30.444 0.869 1.00 43.80 0 B 1 +HETATM 3350 C C7 . MES F 3 211 ? 28.433 33.671 2.737 1.00 50.84 0 B 1 +HETATM 3351 C C8 . MES F 3 211 ? 28.128 33.451 4.233 1.00 55.09 0 B 1 +HETATM 3352 S S . MES F 3 211 ? 28.942 34.670 5.266 1.00 57.55 0 B 1 +HETATM 3353 O O . HOH G 4 212 ? 16.856 5.713 8.800 1.00 16.93 0 A 1 +HETATM 3354 O O . HOH G 4 213 ? 24.864 12.790 14.954 1.00 15.27 0 A 1 +HETATM 3355 O O . HOH G 4 214 ? 19.222 10.125 22.641 1.00 14.60 0 A 1 +HETATM 3356 O O . HOH G 4 215 ? 17.994 -5.269 27.742 1.00 26.25 0 A 1 +HETATM 3357 O O . HOH G 4 216 ? 14.836 11.499 17.763 1.00 45.60 0 A 1 +HETATM 3358 O O . HOH G 4 217 ? 12.296 -1.485 21.696 1.00 22.48 0 A 1 +HETATM 3359 O O . HOH G 4 218 ? 18.264 -0.347 22.604 1.00 24.01 0 A 1 +HETATM 3360 O O . HOH G 4 219 ? 18.984 -6.819 30.132 1.00 24.49 0 A 1 +HETATM 3361 O O . HOH G 4 220 ? 8.846 0.722 7.703 1.00 38.31 0 A 1 +HETATM 3362 O O . HOH G 4 221 ? 15.392 13.020 31.056 1.00 15.92 0 A 1 +HETATM 3363 O O . HOH G 4 222 ? 32.502 -9.851 15.386 1.00 39.94 0 A 1 +HETATM 3364 O O . HOH G 4 223 ? 15.654 -5.183 22.314 1.00 19.30 0 A 1 +HETATM 3365 O O . HOH G 4 224 ? 20.867 1.758 24.123 1.00 14.59 0 A 1 +HETATM 3366 O O . HOH G 4 225 ? 15.898 12.316 28.420 1.00 22.41 0 A 1 +HETATM 3367 O O . HOH G 4 226 ? 20.408 -5.887 32.343 1.00 22.92 0 A 1 +HETATM 3368 O O . HOH G 4 227 ? 27.482 -9.504 6.105 1.00 28.92 0 A 1 +HETATM 3369 O O . HOH G 4 228 ? 20.742 13.852 12.295 1.00 9.82 0 A 1 +HETATM 3370 O O . HOH G 4 229 ? 11.227 5.784 23.411 1.00 34.16 0 A 1 +HETATM 3371 O O . HOH G 4 230 ? 32.290 -8.743 12.401 1.00 27.08 0 A 1 +HETATM 3372 O O . HOH G 4 231 ? 31.990 11.506 26.647 1.00 12.76 0 A 1 +HETATM 3373 O O . HOH G 4 232 ? 14.962 -2.529 21.860 1.00 18.34 0 A 1 +HETATM 3374 O O . HOH G 4 233 ? 16.967 8.325 7.992 1.00 24.06 0 A 1 +HETATM 3375 O O . HOH G 4 234 ? 15.543 -2.258 33.685 1.00 25.16 0 A 1 +HETATM 3376 O O . HOH G 4 235 ? 17.114 -0.678 35.263 1.00 19.58 0 A 1 +HETATM 3377 O O . HOH G 4 236 ? 8.791 9.465 39.334 1.00 37.60 0 A 1 +HETATM 3378 O O . HOH G 4 237 ? 34.310 14.016 12.452 1.00 12.67 0 A 1 +HETATM 3379 O O . HOH G 4 238 ? 13.969 12.616 26.601 1.00 21.95 0 A 1 +HETATM 3380 O O . HOH G 4 239 ? 10.160 0.310 24.282 1.00 20.56 0 A 1 +HETATM 3381 O O . HOH G 4 240 ? 19.312 2.039 21.582 1.00 18.05 0 A 1 +HETATM 3382 O O . HOH G 4 241 ? 10.029 -8.816 33.060 1.00 39.55 0 A 1 +HETATM 3383 O O . HOH G 4 242 ? 35.056 1.807 16.312 1.00 32.72 0 A 1 +HETATM 3384 O O . HOH G 4 243 ? 13.779 5.993 9.092 1.00 28.71 0 A 1 +HETATM 3385 O O . HOH G 4 244 ? 18.411 4.734 18.522 1.00 18.23 0 A 1 +HETATM 3386 O O . HOH G 4 245 ? 18.955 4.897 21.430 1.00 34.55 0 A 1 +HETATM 3387 O O . HOH G 4 246 ? 12.692 -15.663 2.165 1.00 27.14 0 A 1 +HETATM 3388 O O . HOH G 4 247 ? 9.528 -6.057 17.702 1.00 30.61 0 A 1 +HETATM 3389 O O . HOH G 4 248 ? 27.848 11.658 24.970 1.00 22.35 0 A 1 +HETATM 3390 O O . HOH G 4 249 ? 7.063 -5.964 24.445 1.00 25.56 0 A 1 +HETATM 3391 O O . HOH G 4 250 ? 31.718 -4.759 6.672 1.00 25.20 0 A 1 +HETATM 3392 O O . HOH G 4 251 ? 37.235 5.300 19.246 1.00 28.68 0 A 1 +HETATM 3393 O O . HOH G 4 252 ? 22.335 -4.853 39.078 1.00 31.25 0 A 1 +HETATM 3394 O O . HOH G 4 253 ? 11.924 9.200 12.190 1.00 27.02 0 A 1 +HETATM 3395 O O . HOH G 4 254 ? 22.634 -16.179 22.533 1.00 23.30 0 A 1 +HETATM 3396 O O . HOH G 4 255 ? 23.228 -14.875 19.924 1.00 29.84 0 A 1 +HETATM 3397 O O . HOH G 4 256 ? 16.518 4.011 6.773 1.00 26.05 0 A 1 +HETATM 3398 O O . HOH G 4 257 ? 17.155 11.725 38.434 1.00 29.61 0 A 1 +HETATM 3399 O O . HOH G 4 258 ? 19.367 -6.248 21.908 1.00 41.40 0 A 1 +HETATM 3400 O O . HOH G 4 259 ? 13.105 11.178 13.974 1.00 35.34 0 A 1 +HETATM 3401 O O . HOH G 4 260 ? 23.943 -14.188 3.426 1.00 35.78 0 A 1 +HETATM 3402 O O . HOH G 4 261 ? 18.267 11.003 14.044 1.00 24.26 0 A 1 +HETATM 3403 O O . HOH G 4 262 ? 32.513 -10.999 23.068 1.00 30.58 0 A 1 +HETATM 3404 O O . HOH G 4 263 ? 16.471 -1.866 41.441 1.00 32.83 0 A 1 +HETATM 3405 O O . HOH G 4 264 ? 10.393 2.476 2.672 1.00 43.77 0 A 1 +HETATM 3406 O O . HOH G 4 265 ? 26.084 15.089 36.221 1.00 33.85 0 A 1 +HETATM 3407 O O . HOH G 4 266 ? 11.074 16.591 34.671 1.00 26.74 0 A 1 +HETATM 3408 O O . HOH G 4 267 ? 16.029 -5.074 34.430 1.00 29.28 0 A 1 +HETATM 3409 O O . HOH G 4 268 ? 33.504 14.579 37.879 1.00 37.22 0 A 1 +HETATM 3410 O O . HOH G 4 269 ? 20.015 14.786 37.509 1.00 31.57 0 A 1 +HETATM 3411 O O . HOH G 4 270 ? 9.850 -0.734 0.799 1.00 44.55 0 A 1 +HETATM 3412 O O . HOH G 4 271 ? 18.006 7.436 40.198 1.00 40.60 0 A 1 +HETATM 3413 O O . HOH G 4 272 ? 5.802 14.337 37.928 1.00 47.63 0 A 1 +HETATM 3414 O O . HOH G 4 273 ? 17.859 -6.963 33.405 1.00 37.00 0 A 1 +HETATM 3415 O O . HOH G 4 274 ? 6.322 16.122 35.511 1.00 28.36 0 A 1 +HETATM 3416 O O . HOH G 4 275 ? 11.584 2.588 23.272 1.00 23.29 0 A 1 +HETATM 3417 O O . HOH G 4 276 ? 9.668 -6.831 4.979 1.00 37.46 0 A 1 +HETATM 3418 O O . HOH G 4 277 ? 15.345 -11.632 16.617 1.00 35.47 0 A 1 +HETATM 3419 O O . HOH G 4 278 ? 21.967 9.383 17.161 1.00 11.59 0 A 1 +HETATM 3420 O O . HOH G 4 279 ? 33.769 2.278 6.604 1.00 31.81 0 A 1 +HETATM 3421 O O . HOH G 4 280 ? 12.853 1.052 20.658 1.00 33.35 0 A 1 +HETATM 3422 O O . HOH G 4 281 ? 27.322 -14.924 9.874 1.00 39.84 0 A 1 +HETATM 3423 O O . HOH G 4 282 ? 5.859 4.345 12.095 1.00 46.01 0 A 1 +HETATM 3424 O O . HOH G 4 283 ? 36.569 -0.737 18.630 1.00 34.35 0 A 1 +HETATM 3425 O O . HOH G 4 284 ? 10.770 15.081 27.119 1.00 36.53 0 A 1 +HETATM 3426 O O . HOH G 4 285 ? -1.304 -1.156 7.791 1.00 42.24 0 A 1 +HETATM 3427 O O . HOH G 4 286 ? 12.014 18.258 32.649 1.00 30.71 0 A 1 +HETATM 3428 O O . HOH G 4 287 ? 35.197 -9.125 12.192 1.00 44.56 0 A 1 +HETATM 3429 O O . HOH G 4 288 ? 5.317 -9.782 15.687 1.00 42.83 0 A 1 +HETATM 3430 O O . HOH G 4 289 ? 17.900 -13.931 22.827 1.00 31.70 0 A 1 +HETATM 3431 O O . HOH G 4 290 ? 30.457 1.930 5.937 1.00 34.51 0 A 1 +HETATM 3432 O O . HOH G 4 291 ? 0.159 1.325 24.052 1.00 33.35 0 A 1 +HETATM 3433 O O . HOH G 4 292 ? 27.422 4.747 39.020 1.00 28.33 0 A 1 +HETATM 3434 O O . HOH G 4 293 ? 8.527 -6.033 32.765 1.00 28.41 0 A 1 +HETATM 3435 O O . HOH G 4 294 ? 12.675 -10.466 3.337 1.00 33.14 0 A 1 +HETATM 3436 O O . HOH G 4 295 ? 33.330 5.562 30.933 1.00 28.38 0 A 1 +HETATM 3437 O O . HOH G 4 296 ? 11.028 12.083 23.872 1.00 38.22 0 A 1 +HETATM 3438 O O . HOH G 4 297 ? 37.257 -1.627 32.977 1.00 49.09 0 A 1 +HETATM 3439 O O . HOH G 4 298 ? 36.471 -4.552 17.071 1.00 24.34 0 A 1 +HETATM 3440 O O . HOH G 4 299 ? 3.874 1.565 28.811 1.00 42.87 0 A 1 +HETATM 3441 O O . HOH G 4 300 ? 8.600 7.749 17.971 1.00 29.12 0 A 1 +HETATM 3442 O O . HOH G 4 301 ? 41.584 12.051 12.322 1.00 33.56 0 A 1 +HETATM 3443 O O . HOH G 4 302 ? 31.419 0.293 13.055 1.00 23.07 0 A 1 +HETATM 3444 O O . HOH G 4 303 ? 16.415 9.458 28.524 1.00 17.32 0 A 1 +HETATM 3445 O O . HOH G 4 304 ? 7.037 7.219 26.157 1.00 22.76 0 A 1 +HETATM 3446 O O . HOH H 4 212 ? 13.454 17.756 24.597 1.00 11.01 0 B 1 +HETATM 3447 O O . HOH H 4 213 ? 18.085 19.167 15.835 1.00 20.98 0 B 1 +HETATM 3448 O O . HOH H 4 214 ? 28.073 24.985 25.071 1.00 20.71 0 B 1 +HETATM 3449 O O . HOH H 4 215 ? 8.484 29.206 13.621 1.00 22.56 0 B 1 +HETATM 3450 O O . HOH H 4 216 ? 21.680 22.641 11.177 1.00 20.63 0 B 1 +HETATM 3451 O O . HOH H 4 217 ? 12.796 19.616 26.586 1.00 22.96 0 B 1 +HETATM 3452 O O . HOH H 4 218 ? 23.867 11.810 21.308 1.00 14.20 0 B 1 +HETATM 3453 O O . HOH H 4 219 ? 28.411 23.073 31.892 1.00 38.20 0 B 1 +HETATM 3454 O O . HOH H 4 220 ? 13.508 15.158 25.523 1.00 21.69 0 B 1 +HETATM 3455 O O . HOH H 4 221 ? 32.876 23.696 23.150 1.00 31.35 0 B 1 +HETATM 3456 O O . HOH H 4 222 ? 19.426 29.201 7.021 1.00 29.18 0 B 1 +HETATM 3457 O O . HOH H 4 223 ? 21.360 24.690 -0.419 1.00 18.00 0 B 1 +HETATM 3458 O O . HOH H 4 224 ? 20.012 14.460 5.832 1.00 16.04 0 B 1 +HETATM 3459 O O . HOH H 4 225 ? 36.423 28.055 4.818 1.00 43.31 0 B 1 +HETATM 3460 O O . HOH H 4 226 ? 19.814 10.908 2.980 1.00 28.43 0 B 1 +HETATM 3461 O O . HOH H 4 227 ? 12.712 24.833 10.939 1.00 23.65 0 B 1 +HETATM 3462 O O . HOH H 4 228 ? 19.813 21.921 13.343 1.00 14.31 0 B 1 +HETATM 3463 O O . HOH H 4 229 ? 17.244 11.061 6.881 1.00 12.39 0 B 1 +HETATM 3464 O O . HOH H 4 230 ? 15.170 26.190 11.302 1.00 13.73 0 B 1 +HETATM 3465 O O . HOH H 4 231 ? 11.046 18.004 27.978 1.00 30.85 0 B 1 +HETATM 3466 O O . HOH H 4 232 ? 20.516 31.037 5.021 1.00 25.86 0 B 1 +HETATM 3467 O O . HOH H 4 233 ? 5.351 22.274 23.007 1.00 30.70 0 B 1 +HETATM 3468 O O . HOH H 4 234 ? 21.403 33.860 30.311 1.00 25.27 0 B 1 +HETATM 3469 O O . HOH H 4 235 ? 18.828 24.080 11.817 1.00 23.57 0 B 1 +HETATM 3470 O O . HOH H 4 236 ? 15.756 29.068 11.383 1.00 32.38 0 B 1 +HETATM 3471 O O . HOH H 4 237 ? 4.305 23.672 30.142 1.00 33.02 0 B 1 +HETATM 3472 O O . HOH H 4 238 ? 35.926 20.607 21.381 1.00 34.53 0 B 1 +HETATM 3473 O O . HOH H 4 239 ? 13.712 22.115 11.957 1.00 32.52 0 B 1 +HETATM 3474 O O . HOH H 4 240 ? 35.901 20.117 8.789 1.00 28.22 0 B 1 +HETATM 3475 O O . HOH H 4 241 ? 21.023 40.639 20.260 1.00 39.76 0 B 1 +HETATM 3476 O O . HOH H 4 242 ? 26.051 29.906 31.091 1.00 19.51 0 B 1 +HETATM 3477 O O . HOH H 4 243 ? 5.040 20.399 28.595 1.00 30.69 0 B 1 +HETATM 3478 O O . HOH H 4 244 ? 12.948 20.736 9.025 1.00 32.24 0 B 1 +HETATM 3479 O O . HOH H 4 245 ? 19.519 11.655 5.700 1.00 13.35 0 B 1 +HETATM 3480 O O . HOH H 4 246 ? 21.185 40.432 13.086 1.00 24.15 0 B 1 +HETATM 3481 O O . HOH H 4 247 ? 15.496 27.009 36.045 1.00 38.12 0 B 1 +HETATM 3482 O O . HOH H 4 248 ? 8.232 29.139 7.075 1.00 37.92 0 B 1 +HETATM 3483 O O . HOH H 4 249 ? 23.635 37.390 2.269 1.00 27.76 0 B 1 +HETATM 3484 O O . HOH H 4 250 ? 28.841 37.090 8.825 1.00 33.25 0 B 1 +HETATM 3485 O O . HOH H 4 251 ? 17.405 12.665 20.396 1.00 36.33 0 B 1 +HETATM 3486 O O . HOH H 4 252 ? 21.360 39.448 26.486 1.00 35.67 0 B 1 +HETATM 3487 O O . HOH H 4 253 ? 15.307 5.358 4.523 1.00 41.74 0 B 1 +HETATM 3488 O O . HOH H 4 254 ? 19.157 26.110 0.532 1.00 20.88 0 B 1 +HETATM 3489 O O . HOH H 4 255 ? 29.444 13.529 12.853 1.00 27.96 0 B 1 +HETATM 3490 O O . HOH H 4 256 ? 33.907 30.157 22.715 1.00 35.59 0 B 1 +HETATM 3491 O O . HOH H 4 257 ? 18.367 30.578 13.288 1.00 40.73 0 B 1 +HETATM 3492 O O . HOH H 4 258 ? 10.744 17.520 23.522 1.00 30.43 0 B 1 +HETATM 3493 O O . HOH H 4 259 ? 23.552 12.315 -3.486 1.00 32.43 0 B 1 +HETATM 3494 O O . HOH H 4 260 ? 7.831 27.765 2.466 1.00 57.19 0 B 1 +HETATM 3495 O O . HOH H 4 261 ? -0.154 21.656 8.944 1.00 29.55 0 B 1 +HETATM 3496 O O . HOH H 4 262 ? 32.082 14.883 -1.225 1.00 39.42 0 B 1 +HETATM 3497 O O . HOH H 4 263 ? 15.054 7.963 5.666 1.00 37.56 0 B 1 +HETATM 3498 O O . HOH H 4 264 ? 20.953 39.600 15.834 1.00 42.54 0 B 1 +HETATM 3499 O O . HOH H 4 265 ? 12.952 32.530 -0.873 1.00 26.67 0 B 1 +HETATM 3500 O O . HOH H 4 266 ? 12.340 15.041 11.905 1.00 41.80 0 B 1 +HETATM 3501 O O . HOH H 4 267 ? 19.239 28.961 -0.427 1.00 38.64 0 B 1 +HETATM 3502 O O . HOH H 4 268 ? 32.271 23.932 26.288 1.00 32.90 0 B 1 +HETATM 3503 O O . HOH H 4 269 ? 31.221 36.442 15.893 1.00 36.29 0 B 1 +HETATM 3504 O O . HOH H 4 270 ? 8.747 32.091 35.052 1.00 28.20 0 B 1 +HETATM 3505 O O . HOH H 4 271 ? 17.008 6.889 -1.756 1.00 30.88 0 B 1 +HETATM 3506 O O . HOH H 4 272 ? 22.759 30.393 3.495 1.00 20.28 0 B 1 +HETATM 3507 O O . HOH H 4 273 ? 34.578 26.557 21.290 1.00 34.08 0 B 1 +HETATM 3508 O O . HOH H 4 274 ? 3.412 32.437 13.821 1.00 51.39 0 B 1 +HETATM 3509 O O . HOH H 4 275 ? 11.493 22.916 7.603 1.00 35.42 0 B 1 +HETATM 3510 O O . HOH H 4 276 ? 27.933 38.505 22.492 1.00 34.14 0 B 1 +HETATM 3511 O O . HOH H 4 277 ? 16.161 35.587 13.217 1.00 45.32 0 B 1 +HETATM 3512 O O . HOH H 4 278 ? 38.124 18.161 7.834 1.00 37.78 0 B 1 +HETATM 3513 O O . HOH H 4 279 ? 34.808 11.002 19.084 1.00 46.41 0 B 1 +HETATM 3514 O O . HOH H 4 280 ? 12.943 34.982 16.348 1.00 31.71 0 B 1 +HETATM 3515 O O . HOH H 4 281 ? 33.453 33.293 22.322 1.00 38.86 0 B 1 +HETATM 3516 O O . HOH H 4 282 ? 11.583 34.856 4.214 1.00 45.28 0 B 1 +HETATM 3517 O O . HOH H 4 283 ? 37.564 10.772 22.960 1.00 45.16 0 B 1 +HETATM 3518 O O . HOH H 4 284 ? 26.947 9.801 -1.180 1.00 33.54 0 B 1 +HETATM 3519 O O . HOH H 4 285 ? 28.871 12.308 -3.005 1.00 33.00 0 B 1 +HETATM 3520 O O . HOH H 4 286 ? 21.585 14.640 18.240 1.00 14.49 0 B 1 +HETATM 3521 O O . HOH H 4 287 ? 12.893 16.815 9.297 1.00 40.60 0 B 1 +ATOM 1 N N . PRO A 1 2 ? 30.676 3.060 38.855 1.00 40.30 0 A 2 +ATOM 2 C CA . PRO A 1 2 ? 30.782 2.468 37.511 1.00 33.93 0 A 2 +ATOM 3 C C . PRO A 1 2 ? 29.570 3.000 36.767 1.00 24.70 0 A 2 +ATOM 4 O O . PRO A 1 2 ? 29.260 4.190 36.863 1.00 17.72 0 A 2 +ATOM 5 C CB . PRO A 1 2 ? 30.703 0.967 37.719 1.00 42.93 0 A 2 +ATOM 6 C CG . PRO A 1 2 ? 29.727 0.883 38.893 1.00 45.34 0 A 2 +ATOM 7 C CD . PRO A 1 2 ? 30.154 2.064 39.795 1.00 46.68 0 A 2 +ATOM 8 N N . TYR A 1 3 ? 28.857 2.131 36.069 1.00 20.79 0 A 2 +ATOM 9 C CA . TYR A 1 3 ? 27.691 2.547 35.317 1.00 17.22 0 A 2 +ATOM 10 C C . TYR A 1 3 ? 26.421 2.056 35.953 1.00 14.75 0 A 2 +ATOM 11 O O . TYR A 1 3 ? 26.382 0.991 36.568 1.00 21.91 0 A 2 +ATOM 12 C CB . TYR A 1 3 ? 27.742 2.000 33.906 1.00 15.81 0 A 2 +ATOM 13 C CG . TYR A 1 3 ? 29.009 2.320 33.163 1.00 11.31 0 A 2 +ATOM 14 C CD1 . TYR A 1 3 ? 29.326 3.633 32.827 1.00 9.55 0 A 2 +ATOM 15 C CD2 . TYR A 1 3 ? 29.850 1.299 32.736 1.00 10.62 0 A 2 +ATOM 16 C CE1 . TYR A 1 3 ? 30.451 3.918 32.080 1.00 10.73 0 A 2 +ATOM 17 C CE2 . TYR A 1 3 ? 30.978 1.576 31.988 1.00 15.60 0 A 2 +ATOM 18 C CZ . TYR A 1 3 ? 31.276 2.887 31.661 1.00 18.08 0 A 2 +ATOM 19 O OH . TYR A 1 3 ? 32.415 3.174 30.929 1.00 26.51 0 A 2 +ATOM 20 N N . THR A 1 4 ? 25.355 2.791 35.703 1.00 11.26 0 A 2 +ATOM 21 C CA . THR A 1 4 ? 24.057 2.446 36.222 1.00 16.83 0 A 2 +ATOM 22 C C . THR A 1 4 ? 23.014 2.902 35.218 1.00 18.11 0 A 2 +ATOM 23 O O . THR A 1 4 ? 23.017 4.067 34.799 1.00 13.77 0 A 2 +ATOM 24 C CB . THR A 1 4 ? 23.814 3.161 37.567 1.00 19.14 0 A 2 +ATOM 25 C CG2 . THR A 1 4 ? 22.419 2.832 38.129 1.00 13.24 0 A 2 +ATOM 26 O OG1 . THR A 1 4 ? 24.821 2.747 38.496 1.00 23.80 0 A 2 +ATOM 27 N N . VAL A 1 5 ? 22.192 1.969 34.746 1.00 17.20 0 A 2 +ATOM 28 C CA . VAL A 1 5 ? 21.140 2.354 33.824 1.00 19.45 0 A 2 +ATOM 29 C C . VAL A 1 5 ? 19.805 2.254 34.553 1.00 18.28 0 A 2 +ATOM 30 O O . VAL A 1 5 ? 19.519 1.268 35.228 1.00 18.41 0 A 2 +ATOM 31 C CB . VAL A 1 5 ? 21.167 1.565 32.474 1.00 16.72 0 A 2 +ATOM 32 C CG1 . VAL A 1 5 ? 22.414 0.738 32.346 1.00 7.74 0 A 2 +ATOM 33 C CG2 . VAL A 1 5 ? 19.928 0.766 32.273 1.00 7.61 0 A 2 +ATOM 34 N N . VAL A 1 6 ? 19.057 3.348 34.510 1.00 16.51 0 A 2 +ATOM 35 C CA . VAL A 1 6 ? 17.767 3.444 35.164 1.00 13.04 0 A 2 +ATOM 36 C C . VAL A 1 6 ? 16.720 3.435 34.070 1.00 12.99 0 A 2 +ATOM 37 O O . VAL A 1 6 ? 16.679 4.325 33.221 1.00 12.15 0 A 2 +ATOM 38 C CB . VAL A 1 6 ? 17.675 4.746 35.956 1.00 11.40 0 A 2 +ATOM 39 C CG1 . VAL A 1 6 ? 16.357 4.824 36.694 1.00 5.99 0 A 2 +ATOM 40 C CG2 . VAL A 1 6 ? 18.880 4.857 36.903 1.00 5.71 0 A 2 +ATOM 41 N N . TYR A 1 7 ? 15.865 2.426 34.085 1.00 15.71 0 A 2 +ATOM 42 C CA . TYR A 1 7 ? 14.871 2.299 33.041 1.00 16.80 0 A 2 +ATOM 43 C C . TYR A 1 7 ? 13.748 1.391 33.512 1.00 16.48 0 A 2 +ATOM 44 O O . TYR A 1 7 ? 13.759 0.895 34.647 1.00 16.21 0 A 2 +ATOM 45 C CB . TYR A 1 7 ? 15.560 1.673 31.828 1.00 9.91 0 A 2 +ATOM 46 C CG . TYR A 1 7 ? 14.822 1.787 30.526 1.00 15.33 0 A 2 +ATOM 47 C CD1 . TYR A 1 7 ? 14.496 3.026 29.989 1.00 15.73 0 A 2 +ATOM 48 C CD2 . TYR A 1 7 ? 14.530 0.650 29.775 1.00 11.86 0 A 2 +ATOM 49 C CE1 . TYR A 1 7 ? 13.907 3.133 28.738 1.00 15.11 0 A 2 +ATOM 50 C CE2 . TYR A 1 7 ? 13.942 0.745 28.526 1.00 14.63 0 A 2 +ATOM 51 C CZ . TYR A 1 7 ? 13.634 1.993 28.010 1.00 17.31 0 A 2 +ATOM 52 O OH . TYR A 1 7 ? 13.036 2.091 26.769 1.00 11.41 0 A 2 +ATOM 53 N N . PHE A 1 8 ? 12.756 1.234 32.641 1.00 17.60 0 A 2 +ATOM 54 C CA . PHE A 1 8 ? 11.620 0.355 32.897 1.00 22.06 0 A 2 +ATOM 55 C C . PHE A 1 8 ? 12.057 -1.076 32.576 1.00 17.73 0 A 2 +ATOM 56 O O . PHE A 1 8 ? 13.102 -1.292 31.967 1.00 22.80 0 A 2 +ATOM 57 C CB . PHE A 1 8 ? 10.458 0.732 31.979 1.00 22.75 0 A 2 +ATOM 58 C CG . PHE A 1 8 ? 10.072 2.163 32.063 1.00 23.49 0 A 2 +ATOM 59 C CD1 . PHE A 1 8 ? 9.343 2.633 33.145 1.00 23.87 0 A 2 +ATOM 60 C CD2 . PHE A 1 8 ? 10.447 3.049 31.069 1.00 20.62 0 A 2 +ATOM 61 C CE1 . PHE A 1 8 ? 8.997 3.976 33.240 1.00 29.01 0 A 2 +ATOM 62 C CE2 . PHE A 1 8 ? 10.109 4.388 31.151 1.00 26.13 0 A 2 +ATOM 63 C CZ . PHE A 1 8 ? 9.386 4.858 32.238 1.00 29.47 0 A 2 +ATOM 64 N N . PRO A 1 9 ? 11.257 -2.071 32.960 1.00 19.54 0 A 2 +ATOM 65 C CA . PRO A 1 9 ? 11.657 -3.450 32.667 1.00 19.74 0 A 2 +ATOM 66 C C . PRO A 1 9 ? 11.291 -3.885 31.235 1.00 19.18 0 A 2 +ATOM 67 O O . PRO A 1 9 ? 10.435 -4.755 31.034 1.00 18.62 0 A 2 +ATOM 68 C CB . PRO A 1 9 ? 10.907 -4.249 33.727 1.00 20.12 0 A 2 +ATOM 69 C CG . PRO A 1 9 ? 9.598 -3.489 33.817 1.00 21.71 0 A 2 +ATOM 70 C CD . PRO A 1 9 ? 10.072 -2.040 33.845 1.00 25.50 0 A 2 +ATOM 71 N N . VAL A 1 10 ? 11.918 -3.236 30.255 1.00 19.05 0 A 2 +ATOM 72 C CA . VAL A 1 10 ? 11.712 -3.522 28.833 1.00 16.29 0 A 2 +ATOM 73 C C . VAL A 1 10 ? 13.054 -3.251 28.162 1.00 20.35 0 A 2 +ATOM 74 O O . VAL A 1 10 ? 13.895 -2.538 28.719 1.00 21.82 0 A 2 +ATOM 75 C CB . VAL A 1 10 ? 10.654 -2.588 28.173 1.00 16.76 0 A 2 +ATOM 76 C CG1 . VAL A 1 10 ? 9.370 -2.551 28.985 1.00 18.08 0 A 2 +ATOM 77 C CG2 . VAL A 1 10 ? 11.207 -1.184 28.013 1.00 19.81 0 A 2 +ATOM 78 N N . ARG A 1 11 ? 13.269 -3.823 26.985 1.00 14.81 0 A 2 +ATOM 79 C CA . ARG A 1 11 ? 14.521 -3.594 26.278 1.00 12.30 0 A 2 +ATOM 80 C C . ARG A 1 11 ? 14.499 -2.166 25.750 1.00 14.57 0 A 2 +ATOM 81 O O . ARG A 1 11 ? 15.336 -1.327 26.143 1.00 13.86 0 A 2 +ATOM 82 C CB . ARG A 1 11 ? 14.689 -4.607 25.158 1.00 7.23 0 A 2 +ATOM 83 C CG . ARG A 1 11 ? 14.669 -6.025 25.671 1.00 11.02 0 A 2 +ATOM 84 C CD . ARG A 1 11 ? 14.893 -7.054 24.582 1.00 11.90 0 A 2 +ATOM 85 N NE . ARG A 1 11 ? 14.629 -8.383 25.100 1.00 13.33 0 A 2 +ATOM 86 C CZ . ARG A 1 11 ? 14.268 -9.426 24.359 1.00 18.91 0 A 2 +ATOM 87 N NH1 . ARG A 1 11 ? 14.149 -9.299 23.045 1.00 15.76 0 A 2 +ATOM 88 N NH2 . ARG A 1 11 ? 13.998 -10.590 24.935 1.00 20.85 0 A 2 +ATOM 89 N N . GLY A 1 12 ? 13.513 -1.892 24.897 1.00 15.01 0 A 2 +ATOM 90 C CA . GLY A 1 12 ? 13.338 -0.565 24.325 1.00 11.84 0 A 2 +ATOM 91 C C . GLY A 1 12 ? 14.626 0.166 24.001 1.00 10.99 0 A 2 +ATOM 92 O O . GLY A 1 12 ? 15.570 -0.414 23.461 1.00 5.92 0 A 2 +ATOM 93 N N . ARG A 1 13 ? 14.708 1.409 24.456 1.00 14.50 0 A 2 +ATOM 94 C CA . ARG A 1 13 ? 15.866 2.250 24.178 1.00 14.34 0 A 2 +ATOM 95 C C . ARG A 1 13 ? 17.136 1.951 24.963 1.00 14.90 0 A 2 +ATOM 96 O O . ARG A 1 13 ? 18.112 2.702 24.862 1.00 13.09 0 A 2 +ATOM 97 C CB . ARG A 1 13 ? 15.481 3.722 24.315 1.00 8.69 0 A 2 +ATOM 98 C CG . ARG A 1 13 ? 14.538 4.154 23.234 1.00 6.42 0 A 2 +ATOM 99 C CD . ARG A 1 13 ? 14.260 5.633 23.291 1.00 9.52 0 A 2 +ATOM 100 N NE . ARG A 1 13 ? 13.664 6.134 22.049 1.00 11.58 0 A 2 +ATOM 101 C CZ . ARG A 1 13 ? 14.367 6.528 20.992 1.00 7.79 0 A 2 +ATOM 102 N NH1 . ARG A 1 13 ? 15.690 6.489 21.011 1.00 9.98 0 A 2 +ATOM 103 N NH2 . ARG A 1 13 ? 13.751 6.973 19.909 1.00 13.57 0 A 2 +ATOM 104 N N . CYS A 1 14 ? 17.143 0.870 25.733 1.00 8.01 0 A 2 +ATOM 105 C CA . CYS A 1 14 ? 18.338 0.524 26.489 1.00 10.51 0 A 2 +ATOM 106 C C . CYS A 1 14 ? 19.015 -0.720 25.943 1.00 6.86 0 A 2 +ATOM 107 O O . CYS A 1 14 ? 20.191 -0.961 26.211 1.00 11.77 0 A 2 +ATOM 108 C CB . CYS A 1 14 ? 18.003 0.330 27.963 1.00 10.12 0 A 2 +ATOM 109 S SG . CYS A 1 14 ? 17.488 1.834 28.811 1.00 20.17 0 A 2 +ATOM 110 N N . ALA A 1 15 ? 18.295 -1.463 25.112 1.00 12.16 0 A 2 +ATOM 111 C CA . ALA A 1 15 ? 18.793 -2.703 24.537 1.00 10.59 0 A 2 +ATOM 112 C C . ALA A 1 15 ? 20.169 -2.562 23.908 1.00 13.22 0 A 2 +ATOM 113 O O . ALA A 1 15 ? 21.093 -3.296 24.268 1.00 16.19 0 A 2 +ATOM 114 C CB . ALA A 1 15 ? 17.811 -3.231 23.523 1.00 11.84 0 A 2 +ATOM 115 N N . ALA A 1 16 ? 20.320 -1.581 23.025 1.00 10.66 0 A 2 +ATOM 116 C CA . ALA A 1 16 ? 21.593 -1.372 22.349 1.00 10.55 0 A 2 +ATOM 117 C C . ALA A 1 16 ? 22.722 -1.100 23.314 1.00 11.77 0 A 2 +ATOM 118 O O . ALA A 1 16 ? 23.689 -1.866 23.368 1.00 13.30 0 A 2 +ATOM 119 C CB . ALA A 1 16 ? 21.494 -0.251 21.342 1.00 7.90 0 A 2 +ATOM 120 N N . LEU A 1 17 ? 22.563 -0.072 24.148 1.00 13.79 0 A 2 +ATOM 121 C CA . LEU A 1 17 ? 23.630 0.316 25.080 1.00 15.76 0 A 2 +ATOM 122 C C . LEU A 1 17 ? 23.993 -0.821 26.028 1.00 15.63 0 A 2 +ATOM 123 O O . LEU A 1 17 ? 25.119 -0.879 26.528 1.00 14.09 0 A 2 +ATOM 124 C CB . LEU A 1 17 ? 23.254 1.598 25.851 1.00 18.31 0 A 2 +ATOM 125 C CG . LEU A 1 17 ? 22.063 1.607 26.810 1.00 15.06 0 A 2 +ATOM 126 C CD1 . LEU A 1 17 ? 22.551 1.330 28.208 1.00 7.81 0 A 2 +ATOM 127 C CD2 . LEU A 1 17 ? 21.345 2.946 26.780 1.00 11.06 0 A 2 +ATOM 128 N N . ARG A 1 18 ? 23.032 -1.700 26.300 1.00 12.95 0 A 2 +ATOM 129 C CA . ARG A 1 18 ? 23.276 -2.843 27.167 1.00 9.44 0 A 2 +ATOM 130 C C . ARG A 1 18 ? 24.141 -3.819 26.398 1.00 14.72 0 A 2 +ATOM 131 O O . ARG A 1 18 ? 25.110 -4.371 26.946 1.00 19.95 0 A 2 +ATOM 132 C CB . ARG A 1 18 ? 21.970 -3.499 27.566 1.00 3.62 0 A 2 +ATOM 133 C CG . ARG A 1 18 ? 21.210 -2.700 28.566 1.00 4.59 0 A 2 +ATOM 134 C CD . ARG A 1 18 ? 19.842 -3.250 28.714 1.00 6.07 0 A 2 +ATOM 135 N NE . ARG A 1 18 ? 19.182 -2.728 29.899 1.00 9.44 0 A 2 +ATOM 136 C CZ . ARG A 1 18 ? 17.871 -2.551 29.991 1.00 10.49 0 A 2 +ATOM 137 N NH1 . ARG A 1 18 ? 17.081 -2.841 28.965 1.00 11.64 0 A 2 +ATOM 138 N NH2 . ARG A 1 18 ? 17.344 -2.139 31.128 1.00 12.21 0 A 2 +ATOM 139 N N . MET A 1 19 ? 23.828 -4.008 25.121 1.00 15.59 0 A 2 +ATOM 140 C CA . MET A 1 19 ? 24.599 -4.920 24.290 1.00 9.53 0 A 2 +ATOM 141 C C . MET A 1 19 ? 26.031 -4.458 24.284 1.00 13.51 0 A 2 +ATOM 142 O O . MET A 1 19 ? 26.951 -5.257 24.489 1.00 17.53 0 A 2 +ATOM 143 C CB . MET A 1 19 ? 24.050 -4.967 22.856 1.00 6.12 0 A 2 +ATOM 144 C CG . MET A 1 19 ? 22.649 -5.528 22.778 1.00 14.48 0 A 2 +ATOM 145 S SD . MET A 1 19 ? 22.163 -5.925 21.113 1.00 21.44 0 A 2 +ATOM 146 C CE . MET A 1 19 ? 21.999 -4.378 20.482 1.00 21.58 0 A 2 +ATOM 147 N N . LEU A 1 20 ? 26.207 -3.151 24.121 1.00 14.94 0 A 2 +ATOM 148 C CA . LEU A 1 20 ? 27.530 -2.531 24.065 1.00 13.85 0 A 2 +ATOM 149 C C . LEU A 1 20 ? 28.329 -2.849 25.323 1.00 14.37 0 A 2 +ATOM 150 O O . LEU A 1 20 ? 29.418 -3.426 25.246 1.00 19.83 0 A 2 +ATOM 151 C CB . LEU A 1 20 ? 27.410 -1.007 23.866 1.00 6.31 0 A 2 +ATOM 152 C CG . LEU A 1 20 ? 28.674 -0.170 23.637 1.00 7.04 0 A 2 +ATOM 153 C CD1 . LEU A 1 20 ? 28.290 1.127 22.918 1.00 6.73 0 A 2 +ATOM 154 C CD2 . LEU A 1 20 ? 29.392 0.149 24.952 1.00 2.64 0 A 2 +ATOM 155 N N . LEU A 1 21 ? 27.789 -2.460 26.473 1.00 15.44 0 A 2 +ATOM 156 C CA . LEU A 1 21 ? 28.454 -2.679 27.753 1.00 17.44 0 A 2 +ATOM 157 C C . LEU A 1 21 ? 28.870 -4.126 27.918 1.00 19.16 0 A 2 +ATOM 158 O O . LEU A 1 21 ? 30.035 -4.417 28.191 1.00 21.14 0 A 2 +ATOM 159 C CB . LEU A 1 21 ? 27.521 -2.271 28.888 1.00 12.85 0 A 2 +ATOM 160 C CG . LEU A 1 21 ? 27.336 -0.758 28.959 1.00 11.49 0 A 2 +ATOM 161 C CD1 . LEU A 1 21 ? 26.172 -0.386 29.843 1.00 17.36 0 A 2 +ATOM 162 C CD2 . LEU A 1 21 ? 28.618 -0.146 29.481 1.00 12.50 0 A 2 +ATOM 163 N N . ALA A 1 22 ? 27.916 -5.023 27.705 1.00 19.03 0 A 2 +ATOM 164 C CA . ALA A 1 22 ? 28.153 -6.451 27.832 1.00 22.56 0 A 2 +ATOM 165 C C . ALA A 1 22 ? 29.286 -6.885 26.915 1.00 20.63 0 A 2 +ATOM 166 O O . ALA A 1 22 ? 30.286 -7.444 27.368 1.00 23.57 0 A 2 +ATOM 167 C CB . ALA A 1 22 ? 26.883 -7.212 27.498 1.00 20.00 0 A 2 +ATOM 168 N N . ASP A 1 23 ? 29.153 -6.564 25.634 1.00 17.90 0 A 2 +ATOM 169 C CA . ASP A 1 23 ? 30.147 -6.921 24.639 1.00 14.29 0 A 2 +ATOM 170 C C . ASP A 1 23 ? 31.512 -6.335 24.972 1.00 18.12 0 A 2 +ATOM 171 O O . ASP A 1 23 ? 32.538 -6.965 24.705 1.00 19.17 0 A 2 +ATOM 172 C CB . ASP A 1 23 ? 29.733 -6.460 23.241 1.00 20.25 0 A 2 +ATOM 173 C CG . ASP A 1 23 ? 30.432 -7.253 22.120 1.00 24.17 0 A 2 +ATOM 174 O OD1 . ASP A 1 23 ? 30.604 -8.482 22.271 1.00 27.18 0 A 2 +ATOM 175 O OD2 . ASP A 1 23 ? 30.793 -6.657 21.081 1.00 20.09 0 A 2 +ATOM 176 N N . GLN A 1 24 ? 31.532 -5.142 25.569 1.00 23.01 0 A 2 +ATOM 177 C CA . GLN A 1 24 ? 32.801 -4.499 25.913 1.00 20.04 0 A 2 +ATOM 178 C C . GLN A 1 24 ? 33.354 -4.965 27.242 1.00 13.67 0 A 2 +ATOM 179 O O . GLN A 1 24 ? 34.370 -4.455 27.696 1.00 25.20 0 A 2 +ATOM 180 C CB . GLN A 1 24 ? 32.673 -2.975 25.874 1.00 19.61 0 A 2 +ATOM 181 C CG . GLN A 1 24 ? 32.477 -2.409 24.459 1.00 17.00 0 A 2 +ATOM 182 C CD . GLN A 1 24 ? 33.562 -2.853 23.480 1.00 20.65 0 A 2 +ATOM 183 N NE2 . GLN A 1 24 ? 34.825 -2.705 23.876 1.00 15.36 0 A 2 +ATOM 184 O OE1 . GLN A 1 24 ? 33.264 -3.310 22.370 1.00 16.56 0 A 2 +ATOM 185 N N . GLY A 1 25 ? 32.695 -5.950 27.845 1.00 13.69 0 A 2 +ATOM 186 C CA . GLY A 1 25 ? 33.144 -6.489 29.116 1.00 19.04 0 A 2 +ATOM 187 C C . GLY A 1 25 ? 32.960 -5.519 30.266 1.00 23.40 0 A 2 +ATOM 188 O O . GLY A 1 25 ? 33.659 -5.594 31.269 1.00 22.15 0 A 2 +ATOM 189 N N . GLN A 1 26 ? 32.028 -4.591 30.110 1.00 22.37 0 A 2 +ATOM 190 C CA . GLN A 1 26 ? 31.774 -3.604 31.135 1.00 22.39 0 A 2 +ATOM 191 C C . GLN A 1 26 ? 30.735 -4.075 32.140 1.00 23.82 0 A 2 +ATOM 192 O O . GLN A 1 26 ? 29.867 -4.883 31.811 1.00 27.13 0 A 2 +ATOM 193 C CB . GLN A 1 26 ? 31.349 -2.281 30.485 1.00 22.15 0 A 2 +ATOM 194 C CG . GLN A 1 26 ? 32.391 -1.685 29.533 1.00 24.58 0 A 2 +ATOM 195 C CD . GLN A 1 26 ? 33.729 -1.416 30.211 1.00 25.38 0 A 2 +ATOM 196 N NE2 . GLN A 1 26 ? 34.807 -1.526 29.448 1.00 26.76 0 A 2 +ATOM 197 O OE1 . GLN A 1 26 ? 33.796 -1.132 31.406 1.00 28.09 0 A 2 +ATOM 198 N N . SER A 1 27 ? 30.815 -3.567 33.365 1.00 25.17 0 A 2 +ATOM 199 C CA . SER A 1 27 ? 29.876 -3.938 34.419 1.00 25.84 0 A 2 +ATOM 200 C C . SER A 1 27 ? 28.944 -2.774 34.708 1.00 22.71 0 A 2 +ATOM 201 O O . SER A 1 27 ? 29.385 -1.630 34.750 1.00 21.89 0 A 2 +ATOM 202 C CB . SER A 1 27 ? 30.632 -4.293 35.710 1.00 30.59 0 A 2 +ATOM 203 O OG . SER A 1 27 ? 31.296 -5.546 35.618 1.00 38.10 0 A 2 +ATOM 204 N N . TRP A 1 28 ? 27.670 -3.068 34.950 1.00 19.21 0 A 2 +ATOM 205 C CA . TRP A 1 28 ? 26.723 -2.007 35.254 1.00 19.94 0 A 2 +ATOM 206 C C . TRP A 1 28 ? 25.589 -2.456 36.170 1.00 17.58 0 A 2 +ATOM 207 O O . TRP A 1 28 ? 25.263 -3.630 36.252 1.00 22.16 0 A 2 +ATOM 208 C CB . TRP A 1 28 ? 26.166 -1.385 33.967 1.00 14.32 0 A 2 +ATOM 209 C CG . TRP A 1 28 ? 25.181 -2.240 33.250 1.00 16.19 0 A 2 +ATOM 210 C CD1 . TRP A 1 28 ? 23.819 -2.122 33.279 1.00 14.18 0 A 2 +ATOM 211 C CD2 . TRP A 1 28 ? 25.472 -3.303 32.337 1.00 15.51 0 A 2 +ATOM 212 C CE2 . TRP A 1 28 ? 24.240 -3.779 31.838 1.00 13.32 0 A 2 +ATOM 213 C CE3 . TRP A 1 28 ? 26.656 -3.908 31.891 1.00 12.70 0 A 2 +ATOM 214 N NE1 . TRP A 1 28 ? 23.247 -3.034 32.430 1.00 14.87 0 A 2 +ATOM 215 C CZ2 . TRP A 1 28 ? 24.156 -4.816 30.912 1.00 12.28 0 A 2 +ATOM 216 C CZ3 . TRP A 1 28 ? 26.571 -4.942 30.975 1.00 14.88 0 A 2 +ATOM 217 C CH2 . TRP A 1 28 ? 25.328 -5.386 30.496 1.00 14.09 0 A 2 +ATOM 218 N N . LYS A 1 29 ? 24.997 -1.498 36.858 1.00 18.25 0 A 2 +ATOM 219 C CA . LYS A 1 29 ? 23.906 -1.756 37.772 1.00 22.72 0 A 2 +ATOM 220 C C . LYS A 1 29 ? 22.605 -1.383 37.075 1.00 26.40 0 A 2 +ATOM 221 O O . LYS A 1 29 ? 22.528 -0.382 36.346 1.00 23.28 0 A 2 +ATOM 222 C CB . LYS A 1 29 ? 24.107 -0.903 39.032 1.00 30.34 0 A 2 +ATOM 223 C CG . LYS A 1 29 ? 22.853 -0.556 39.818 1.00 43.32 0 A 2 +ATOM 224 C CD . LYS A 1 29 ? 22.448 -1.642 40.793 1.00 54.54 0 A 2 +ATOM 225 C CE . LYS A 1 29 ? 21.198 -1.213 41.544 1.00 60.40 0 A 2 +ATOM 226 N NZ . LYS A 1 29 ? 21.363 0.125 42.204 1.00 63.78 0 A 2 +ATOM 227 N N . GLU A 1 30 ? 21.583 -2.202 37.291 1.00 28.16 0 A 2 +ATOM 228 C CA . GLU A 1 30 ? 20.282 -1.965 36.693 1.00 21.35 0 A 2 +ATOM 229 C C . GLU A 1 30 ? 19.275 -1.483 37.726 1.00 25.95 0 A 2 +ATOM 230 O O . GLU A 1 30 ? 18.927 -2.212 38.659 1.00 27.35 0 A 2 +ATOM 231 C CB . GLU A 1 30 ? 19.752 -3.244 36.042 1.00 21.62 0 A 2 +ATOM 232 C CG . GLU A 1 30 ? 20.437 -3.642 34.743 1.00 22.40 0 A 2 +ATOM 233 C CD . GLU A 1 30 ? 19.924 -2.877 33.530 1.00 19.47 0 A 2 +ATOM 234 O OE1 . GLU A 1 30 ? 19.174 -1.899 33.691 1.00 23.49 0 A 2 +ATOM 235 O OE2 . GLU A 1 30 ? 20.279 -3.261 32.405 1.00 23.95 0 A 2 +ATOM 236 N N . GLU A 1 31 ? 18.828 -0.245 37.577 1.00 27.33 0 A 2 +ATOM 237 C CA . GLU A 1 31 ? 17.820 0.320 38.456 1.00 27.44 0 A 2 +ATOM 238 C C . GLU A 1 31 ? 16.506 0.185 37.705 1.00 26.43 0 A 2 +ATOM 239 O O . GLU A 1 31 ? 16.270 0.888 36.728 1.00 26.83 0 A 2 +ATOM 240 C CB . GLU A 1 31 ? 18.117 1.788 38.749 1.00 34.21 0 A 2 +ATOM 241 C CG . GLU A 1 31 ? 19.150 1.983 39.832 1.00 45.46 0 A 2 +ATOM 242 C CD . GLU A 1 31 ? 18.572 1.790 41.208 1.00 52.18 0 A 2 +ATOM 243 O OE1 . GLU A 1 31 ? 18.210 0.648 41.572 1.00 58.42 0 A 2 +ATOM 244 O OE2 . GLU A 1 31 ? 18.473 2.800 41.931 1.00 63.82 0 A 2 +ATOM 245 N N . VAL A 1 32 ? 15.693 -0.773 38.128 1.00 27.52 0 A 2 +ATOM 246 C CA . VAL A 1 32 ? 14.415 -1.043 37.495 1.00 27.08 0 A 2 +ATOM 247 C C . VAL A 1 32 ? 13.345 -0.124 38.049 1.00 31.93 0 A 2 +ATOM 248 O O . VAL A 1 32 ? 13.180 -0.014 39.263 1.00 33.19 0 A 2 +ATOM 249 C CB . VAL A 1 32 ? 13.991 -2.508 37.718 1.00 26.16 0 A 2 +ATOM 250 C CG1 . VAL A 1 32 ? 12.662 -2.787 37.036 1.00 17.94 0 A 2 +ATOM 251 C CG2 . VAL A 1 32 ? 15.074 -3.442 37.197 1.00 18.82 0 A 2 +ATOM 252 N N . VAL A 1 33 ? 12.622 0.534 37.146 1.00 30.78 0 A 2 +ATOM 253 C CA . VAL A 1 33 ? 11.555 1.453 37.512 1.00 27.34 0 A 2 +ATOM 254 C C . VAL A 1 33 ? 10.234 0.837 37.061 1.00 29.88 0 A 2 +ATOM 255 O O . VAL A 1 33 ? 10.108 0.398 35.921 1.00 30.38 0 A 2 +ATOM 256 C CB . VAL A 1 33 ? 11.772 2.828 36.841 1.00 24.70 0 A 2 +ATOM 257 C CG1 . VAL A 1 33 ? 10.655 3.788 37.182 1.00 19.75 0 A 2 +ATOM 258 C CG2 . VAL A 1 33 ? 13.101 3.407 37.276 1.00 23.49 0 A 2 +ATOM 259 N N . THR A 1 34 ? 9.282 0.723 37.983 1.00 33.84 0 A 2 +ATOM 260 C CA . THR A 1 34 ? 7.981 0.158 37.655 1.00 38.76 0 A 2 +ATOM 261 C C . THR A 1 34 ? 6.976 1.246 37.340 1.00 38.33 0 A 2 +ATOM 262 O O . THR A 1 34 ? 7.147 2.392 37.755 1.00 34.11 0 A 2 +ATOM 263 C CB . THR A 1 34 ? 7.418 -0.662 38.809 1.00 40.00 0 A 2 +ATOM 264 C CG2 . THR A 1 34 ? 8.190 -1.950 38.966 1.00 43.99 0 A 2 +ATOM 265 O OG1 . THR A 1 34 ? 7.485 0.105 40.017 1.00 47.23 0 A 2 +ATOM 266 N N . VAL A 1 35 ? 5.882 0.860 36.689 1.00 44.47 0 A 2 +ATOM 267 C CA . VAL A 1 35 ? 4.839 1.799 36.310 1.00 51.24 0 A 2 +ATOM 268 C C . VAL A 1 35 ? 4.327 2.565 37.525 1.00 52.85 0 A 2 +ATOM 269 O O . VAL A 1 35 ? 4.057 3.762 37.440 1.00 49.57 0 A 2 +ATOM 270 C CB . VAL A 1 35 ? 3.671 1.089 35.567 1.00 54.76 0 A 2 +ATOM 271 C CG1 . VAL A 1 35 ? 2.826 0.257 36.530 1.00 56.65 0 A 2 +ATOM 272 C CG2 . VAL A 1 35 ? 2.827 2.099 34.803 1.00 59.30 0 A 2 +ATOM 273 N N . GLU A 1 36 ? 4.263 1.884 38.666 1.00 55.74 0 A 2 +ATOM 274 C CA . GLU A 1 36 ? 3.797 2.504 39.900 1.00 59.48 0 A 2 +ATOM 275 C C . GLU A 1 36 ? 4.764 3.596 40.345 1.00 56.13 0 A 2 +ATOM 276 O O . GLU A 1 36 ? 4.356 4.732 40.606 1.00 56.46 0 A 2 +ATOM 277 C CB . GLU A 1 36 ? 3.649 1.464 41.016 1.00 67.77 0 A 2 +ATOM 278 C CG . GLU A 1 36 ? 2.699 0.313 40.690 1.00 76.47 0 A 2 +ATOM 279 C CD . GLU A 1 36 ? 3.429 -0.968 40.323 1.00 82.46 0 A 2 +ATOM 280 O OE1 . GLU A 1 36 ? 4.230 -1.458 41.153 1.00 85.41 0 A 2 +ATOM 281 O OE2 . GLU A 1 36 ? 3.194 -1.498 39.212 1.00 85.68 0 A 2 +ATOM 282 N N . THR A 1 37 ? 6.048 3.250 40.390 1.00 51.46 0 A 2 +ATOM 283 C CA . THR A 1 37 ? 7.093 4.186 40.793 1.00 45.60 0 A 2 +ATOM 284 C C . THR A 1 37 ? 7.118 5.409 39.878 1.00 44.79 0 A 2 +ATOM 285 O O . THR A 1 37 ? 7.339 6.538 40.329 1.00 45.62 0 A 2 +ATOM 286 C CB . THR A 1 37 ? 8.465 3.505 40.758 1.00 44.50 0 A 2 +ATOM 287 C CG2 . THR A 1 37 ? 9.534 4.403 41.367 1.00 37.84 0 A 2 +ATOM 288 O OG1 . THR A 1 37 ? 8.397 2.276 41.489 1.00 41.82 0 A 2 +ATOM 289 N N . TRP A 1 38 ? 6.853 5.189 38.593 1.00 40.28 0 A 2 +ATOM 290 C CA . TRP A 1 38 ? 6.855 6.275 37.631 1.00 40.08 0 A 2 +ATOM 291 C C . TRP A 1 38 ? 5.622 7.151 37.807 1.00 47.98 0 A 2 +ATOM 292 O O . TRP A 1 38 ? 5.727 8.379 37.875 1.00 49.08 0 A 2 +ATOM 293 C CB . TRP A 1 38 ? 6.886 5.728 36.208 1.00 31.25 0 A 2 +ATOM 294 C CG . TRP A 1 38 ? 7.145 6.781 35.165 1.00 30.98 0 A 2 +ATOM 295 C CD1 . TRP A 1 38 ? 6.293 7.190 34.169 1.00 30.41 0 A 2 +ATOM 296 C CD2 . TRP A 1 38 ? 8.358 7.527 34.985 1.00 26.47 0 A 2 +ATOM 297 C CE2 . TRP A 1 38 ? 8.167 8.362 33.860 1.00 26.96 0 A 2 +ATOM 298 C CE3 . TRP A 1 38 ? 9.584 7.564 35.664 1.00 22.72 0 A 2 +ATOM 299 N NE1 . TRP A 1 38 ? 6.904 8.136 33.385 1.00 28.08 0 A 2 +ATOM 300 C CZ2 . TRP A 1 38 ? 9.168 9.229 33.397 1.00 20.94 0 A 2 +ATOM 301 C CZ3 . TRP A 1 38 ? 10.577 8.424 35.199 1.00 20.39 0 A 2 +ATOM 302 C CH2 . TRP A 1 38 ? 10.360 9.245 34.075 1.00 19.14 0 A 2 +ATOM 303 N N . GLN A 1 39 ? 4.458 6.519 37.923 1.00 52.93 0 A 2 +ATOM 304 C CA . GLN A 1 39 ? 3.213 7.255 38.069 1.00 54.31 0 A 2 +ATOM 305 C C . GLN A 1 39 ? 3.129 8.022 39.378 1.00 55.37 0 A 2 +ATOM 306 O O . GLN A 1 39 ? 2.162 8.734 39.628 1.00 58.81 0 A 2 +ATOM 307 C CB . GLN A 1 39 ? 2.015 6.330 37.863 1.00 53.82 0 A 2 +ATOM 308 C CG . GLN A 1 39 ? 1.892 5.834 36.423 1.00 57.70 0 A 2 +ATOM 309 C CD . GLN A 1 39 ? 0.796 4.801 36.241 1.00 62.90 0 A 2 +ATOM 310 N NE2 . GLN A 1 39 ? 0.366 4.611 34.998 1.00 61.57 0 A 2 +ATOM 311 O OE1 . GLN A 1 39 ? 0.350 4.174 37.202 1.00 64.12 0 A 2 +ATOM 312 N N . GLU A 1 40 ? 4.154 7.885 40.211 1.00 55.83 0 A 2 +ATOM 313 C CA . GLU A 1 40 ? 4.201 8.606 41.469 1.00 56.23 0 A 2 +ATOM 314 C C . GLU A 1 40 ? 4.674 10.037 41.189 1.00 55.90 0 A 2 +ATOM 315 O O . GLU A 1 40 ? 4.480 10.943 42.000 1.00 57.28 0 A 2 +ATOM 316 C CB . GLU A 1 40 ? 5.134 7.896 42.442 1.00 54.56 0 A 2 +ATOM 317 C CG . GLU A 1 40 ? 5.069 8.429 43.844 1.00 56.26 0 A 2 +ATOM 318 C CD . GLU A 1 40 ? 6.253 9.297 44.183 1.00 59.52 0 A 2 +ATOM 319 O OE1 . GLU A 1 40 ? 7.318 8.730 44.506 1.00 63.51 0 A 2 +ATOM 320 O OE2 . GLU A 1 40 ? 6.121 10.539 44.140 1.00 64.99 0 A 2 +ATOM 321 N N . GLY A 1 41 ? 5.332 10.216 40.045 1.00 53.72 0 A 2 +ATOM 322 C CA . GLY A 1 41 ? 5.802 11.526 39.628 1.00 50.20 0 A 2 +ATOM 323 C C . GLY A 1 41 ? 7.149 12.031 40.108 1.00 47.39 0 A 2 +ATOM 324 O O . GLY A 1 41 ? 7.797 12.822 39.414 1.00 47.83 0 A 2 +ATOM 325 N N . SER A 1 42 ? 7.598 11.563 41.264 1.00 47.38 0 A 2 +ATOM 326 C CA . SER A 1 42 ? 8.871 11.999 41.833 1.00 48.92 0 A 2 +ATOM 327 C C . SER A 1 42 ? 10.085 11.868 40.913 1.00 44.77 0 A 2 +ATOM 328 O O . SER A 1 42 ? 10.810 12.837 40.689 1.00 45.99 0 A 2 +ATOM 329 C CB . SER A 1 42 ? 9.139 11.241 43.126 1.00 52.32 0 A 2 +ATOM 330 O OG . SER A 1 42 ? 9.008 9.848 42.902 1.00 58.12 0 A 2 +ATOM 331 N N . LEU A 1 43 ? 10.319 10.663 40.409 1.00 42.84 0 A 2 +ATOM 332 C CA . LEU A 1 43 ? 11.459 10.427 39.532 1.00 39.02 0 A 2 +ATOM 333 C C . LEU A 1 43 ? 11.281 11.157 38.208 1.00 32.41 0 A 2 +ATOM 334 O O . LEU A 1 43 ? 12.217 11.764 37.705 1.00 32.28 0 A 2 +ATOM 335 C CB . LEU A 1 43 ? 11.660 8.922 39.308 1.00 40.03 0 A 2 +ATOM 336 C CG . LEU A 1 43 ? 13.045 8.398 38.878 1.00 41.34 0 A 2 +ATOM 337 C CD1 . LEU A 1 43 ? 13.219 8.461 37.382 1.00 42.89 0 A 2 +ATOM 338 C CD2 . LEU A 1 43 ? 14.155 9.146 39.597 1.00 40.07 0 A 2 +ATOM 339 N N . LYS A 1 44 ? 10.059 11.154 37.685 1.00 27.63 0 A 2 +ATOM 340 C CA . LYS A 1 44 ? 9.766 11.818 36.425 1.00 31.13 0 A 2 +ATOM 341 C C . LYS A 1 44 ? 10.171 13.296 36.477 1.00 32.68 0 A 2 +ATOM 342 O O . LYS A 1 44 ? 10.774 13.808 35.542 1.00 26.79 0 A 2 +ATOM 343 C CB . LYS A 1 44 ? 8.275 11.715 36.088 1.00 29.67 0 A 2 +ATOM 344 C CG . LYS A 1 44 ? 7.945 12.209 34.676 1.00 31.53 0 A 2 +ATOM 345 C CD . LYS A 1 44 ? 6.496 11.997 34.290 1.00 27.37 0 A 2 +ATOM 346 C CE . LYS A 1 44 ? 6.362 11.814 32.785 1.00 34.09 0 A 2 +ATOM 347 N NZ . LYS A 1 44 ? 6.949 12.901 31.966 1.00 23.30 0 A 2 +ATOM 348 N N . ALA A 1 45 ? 9.843 13.962 37.582 1.00 35.90 0 A 2 +ATOM 349 C CA . ALA A 1 45 ? 10.166 15.374 37.754 1.00 34.20 0 A 2 +ATOM 350 C C . ALA A 1 45 ? 11.662 15.633 37.819 1.00 31.91 0 A 2 +ATOM 351 O O . ALA A 1 45 ? 12.127 16.678 37.370 1.00 35.00 0 A 2 +ATOM 352 C CB . ALA A 1 45 ? 9.484 15.923 39.003 1.00 39.21 0 A 2 +ATOM 353 N N . SER A 1 46 ? 12.410 14.697 38.394 1.00 30.04 0 A 2 +ATOM 354 C CA . SER A 1 46 ? 13.853 14.864 38.514 1.00 26.69 0 A 2 +ATOM 355 C C . SER A 1 46 ? 14.596 14.600 37.198 1.00 21.42 0 A 2 +ATOM 356 O O . SER A 1 46 ? 15.795 14.843 37.102 1.00 19.15 0 A 2 +ATOM 357 C CB . SER A 1 46 ? 14.396 13.961 39.625 1.00 24.78 0 A 2 +ATOM 358 O OG . SER A 1 46 ? 14.048 12.617 39.385 1.00 30.49 0 A 2 +ATOM 359 N N . CYS A 1 47 ? 13.897 14.060 36.209 1.00 17.89 0 A 2 +ATOM 360 C CA . CYS A 1 47 ? 14.497 13.773 34.914 1.00 18.12 0 A 2 +ATOM 361 C C . CYS A 1 47 ? 14.474 15.020 34.037 1.00 24.60 0 A 2 +ATOM 362 O O . CYS A 1 47 ? 13.420 15.634 33.847 1.00 18.53 0 A 2 +ATOM 363 C CB . CYS A 1 47 ? 13.742 12.645 34.213 1.00 22.03 0 A 2 +ATOM 364 S SG . CYS A 1 47 ? 13.943 11.038 34.998 1.00 18.70 0 A 2 +ATOM 365 N N . LEU A 1 48 ? 15.615 15.337 33.428 1.00 24.40 0 A 2 +ATOM 366 C CA . LEU A 1 48 ? 15.758 16.524 32.579 1.00 23.56 0 A 2 +ATOM 367 C C . LEU A 1 48 ? 14.618 16.765 31.587 1.00 27.30 0 A 2 +ATOM 368 O O . LEU A 1 48 ? 14.126 17.880 31.457 1.00 22.64 0 A 2 +ATOM 369 C CB . LEU A 1 48 ? 17.073 16.486 31.825 1.00 21.53 0 A 2 +ATOM 370 C CG . LEU A 1 48 ? 17.375 17.759 31.040 1.00 22.09 0 A 2 +ATOM 371 C CD1 . LEU A 1 48 ? 17.524 18.959 31.991 1.00 17.28 0 A 2 +ATOM 372 C CD2 . LEU A 1 48 ? 18.643 17.532 30.242 1.00 20.84 0 A 2 +ATOM 373 N N . TYR A 1 49 ? 14.259 15.718 30.846 1.00 27.07 0 A 2 +ATOM 374 C CA . TYR A 1 49 ? 13.172 15.781 29.875 1.00 19.61 0 A 2 +ATOM 375 C C . TYR A 1 49 ? 11.978 14.917 30.350 1.00 22.54 0 A 2 +ATOM 376 O O . TYR A 1 49 ? 11.180 14.455 29.536 1.00 25.71 0 A 2 +ATOM 377 C CB . TYR A 1 49 ? 13.698 15.325 28.503 1.00 11.29 0 A 2 +ATOM 378 C CG . TYR A 1 49 ? 14.892 16.127 27.943 1.00 14.21 0 A 2 +ATOM 379 C CD1 . TYR A 1 49 ? 14.742 17.456 27.489 1.00 13.87 0 A 2 +ATOM 380 C CD2 . TYR A 1 49 ? 16.175 15.565 27.860 1.00 8.76 0 A 2 +ATOM 381 C CE1 . TYR A 1 49 ? 15.839 18.182 26.975 1.00 16.10 0 A 2 +ATOM 382 C CE2 . TYR A 1 49 ? 17.272 16.288 27.346 1.00 12.58 0 A 2 +ATOM 383 C CZ . TYR A 1 49 ? 17.087 17.593 26.925 1.00 17.84 0 A 2 +ATOM 384 O OH . TYR A 1 49 ? 18.139 18.375 26.541 1.00 23.88 0 A 2 +ATOM 385 N N . GLY A 1 50 ? 11.859 14.722 31.665 1.00 23.21 0 A 2 +ATOM 386 C CA . GLY A 1 50 ? 10.779 13.927 32.246 1.00 24.88 0 A 2 +ATOM 387 C C . GLY A 1 50 ? 10.659 12.509 31.695 1.00 25.30 0 A 2 +ATOM 388 O O . GLY A 1 50 ? 9.566 11.925 31.656 1.00 24.60 0 A 2 +ATOM 389 N N . GLN A 1 51 ? 11.782 11.949 31.255 1.00 23.03 0 A 2 +ATOM 390 C CA . GLN A 1 51 ? 11.777 10.627 30.675 1.00 20.94 0 A 2 +ATOM 391 C C . GLN A 1 51 ? 13.015 9.789 30.980 1.00 20.93 0 A 2 +ATOM 392 O O . GLN A 1 51 ? 14.041 10.310 31.406 1.00 19.15 0 A 2 +ATOM 393 C CB . GLN A 1 51 ? 11.629 10.729 29.159 1.00 17.49 0 A 2 +ATOM 394 C CG . GLN A 1 51 ? 10.279 11.243 28.702 1.00 22.63 0 A 2 +ATOM 395 C CD . GLN A 1 51 ? 10.076 11.088 27.211 1.00 22.92 0 A 2 +ATOM 396 N NE2 . GLN A 1 51 ? 8.896 10.638 26.820 1.00 26.01 0 A 2 +ATOM 397 O OE1 . GLN A 1 51 ? 10.973 11.380 26.418 1.00 30.18 0 A 2 +ATOM 398 N N . LEU A 1 52 ? 12.883 8.479 30.778 1.00 24.66 0 A 2 +ATOM 399 C CA . LEU A 1 52 ? 13.972 7.519 30.960 1.00 14.22 0 A 2 +ATOM 400 C C . LEU A 1 52 ? 14.287 7.054 29.549 1.00 18.03 0 A 2 +ATOM 401 O O . LEU A 1 52 ? 13.511 7.308 28.618 1.00 17.87 0 A 2 +ATOM 402 C CB . LEU A 1 52 ? 13.508 6.338 31.808 1.00 15.86 0 A 2 +ATOM 403 C CG . LEU A 1 52 ? 13.036 6.600 33.232 1.00 18.44 0 A 2 +ATOM 404 C CD1 . LEU A 1 52 ? 12.615 5.289 33.873 1.00 16.72 0 A 2 +ATOM 405 C CD2 . LEU A 1 52 ? 14.142 7.262 34.045 1.00 16.45 0 A 2 +ATOM 406 N N . PRO A 1 53 ? 15.430 6.364 29.328 1.00 18.70 0 A 2 +ATOM 407 C CA . PRO A 1 53 ? 16.456 5.990 30.314 1.00 19.18 0 A 2 +ATOM 408 C C . PRO A 1 53 ? 17.253 7.137 30.931 1.00 22.97 0 A 2 +ATOM 409 O O . PRO A 1 53 ? 17.399 8.206 30.334 1.00 21.82 0 A 2 +ATOM 410 C CB . PRO A 1 53 ? 17.386 5.095 29.478 1.00 15.73 0 A 2 +ATOM 411 C CG . PRO A 1 53 ? 17.299 5.712 28.123 1.00 12.31 0 A 2 +ATOM 412 C CD . PRO A 1 53 ? 15.808 5.936 27.987 1.00 17.51 0 A 2 +ATOM 413 N N . LYS A 1 54 ? 17.722 6.891 32.154 1.00 16.55 0 A 2 +ATOM 414 C CA . LYS A 1 54 ? 18.556 7.808 32.887 1.00 13.11 0 A 2 +ATOM 415 C C . LYS A 1 54 ? 19.829 6.968 33.039 1.00 12.48 0 A 2 +ATOM 416 O O . LYS A 1 54 ? 19.751 5.747 33.163 1.00 15.43 0 A 2 +ATOM 417 C CB . LYS A 1 54 ? 17.963 8.132 34.263 1.00 8.45 0 A 2 +ATOM 418 C CG . LYS A 1 54 ? 18.916 8.835 35.197 1.00 16.35 0 A 2 +ATOM 419 C CD . LYS A 1 54 ? 18.284 9.044 36.554 1.00 21.38 0 A 2 +ATOM 420 C CE . LYS A 1 54 ? 19.335 9.384 37.610 1.00 29.03 0 A 2 +ATOM 421 N NZ . LYS A 1 54 ? 18.725 9.648 38.950 1.00 32.77 0 A 2 +ATOM 422 N N . PHE A 1 55 ? 20.996 7.601 32.996 1.00 14.72 0 A 2 +ATOM 423 C CA . PHE A 1 55 ? 22.259 6.887 33.086 1.00 15.51 0 A 2 +ATOM 424 C C . PHE A 1 55 ? 23.215 7.581 34.044 1.00 16.16 0 A 2 +ATOM 425 O O . PHE A 1 55 ? 23.228 8.801 34.151 1.00 13.32 0 A 2 +ATOM 426 C CB . PHE A 1 55 ? 22.903 6.845 31.703 1.00 12.80 0 A 2 +ATOM 427 C CG . PHE A 1 55 ? 24.037 5.867 31.598 1.00 15.63 0 A 2 +ATOM 428 C CD1 . PHE A 1 55 ? 23.781 4.504 31.508 1.00 13.51 0 A 2 +ATOM 429 C CD2 . PHE A 1 55 ? 25.355 6.298 31.555 1.00 15.95 0 A 2 +ATOM 430 C CE1 . PHE A 1 55 ? 24.817 3.587 31.377 1.00 14.04 0 A 2 +ATOM 431 C CE2 . PHE A 1 55 ? 26.395 5.389 31.428 1.00 16.14 0 A 2 +ATOM 432 C CZ . PHE A 1 55 ? 26.124 4.031 31.332 1.00 14.88 0 A 2 +ATOM 433 N N . GLN A 1 56 ? 24.015 6.795 34.744 1.00 23.80 0 A 2 +ATOM 434 C CA . GLN A 1 56 ? 24.983 7.373 35.656 1.00 24.68 0 A 2 +ATOM 435 C C . GLN A 1 56 ? 26.351 6.751 35.420 1.00 22.65 0 A 2 +ATOM 436 O O . GLN A 1 56 ? 26.481 5.542 35.257 1.00 24.31 0 A 2 +ATOM 437 C CB . GLN A 1 56 ? 24.542 7.182 37.106 1.00 26.69 0 A 2 +ATOM 438 C CG . GLN A 1 56 ? 23.253 7.920 37.456 1.00 26.64 0 A 2 +ATOM 439 C CD . GLN A 1 56 ? 22.752 7.617 38.862 1.00 34.87 0 A 2 +ATOM 440 N NE2 . GLN A 1 56 ? 22.201 8.626 39.529 1.00 40.91 0 A 2 +ATOM 441 O OE1 . GLN A 1 56 ? 22.838 6.487 39.332 1.00 39.45 0 A 2 +ATOM 442 N N . ASP A 1 57 ? 27.351 7.609 35.298 1.00 19.91 0 A 2 +ATOM 443 C CA . ASP A 1 57 ? 28.727 7.191 35.115 1.00 20.55 0 A 2 +ATOM 444 C C . ASP A 1 57 ? 29.467 8.025 36.154 1.00 22.53 0 A 2 +ATOM 445 O O . ASP A 1 57 ? 29.877 9.155 35.888 1.00 27.33 0 A 2 +ATOM 446 C CB . ASP A 1 57 ? 29.226 7.542 33.715 1.00 21.74 0 A 2 +ATOM 447 C CG . ASP A 1 57 ? 30.641 7.041 33.447 1.00 27.52 0 A 2 +ATOM 448 O OD1 . ASP A 1 57 ? 31.260 6.427 34.350 1.00 34.81 0 A 2 +ATOM 449 O OD2 . ASP A 1 57 ? 31.141 7.258 32.323 1.00 24.61 0 A 2 +ATOM 450 N N . GLY A 1 58 ? 29.625 7.473 37.348 1.00 23.28 0 A 2 +ATOM 451 C CA . GLY A 1 58 ? 30.275 8.226 38.399 1.00 23.67 0 A 2 +ATOM 452 C C . GLY A 1 58 ? 29.215 9.242 38.765 1.00 23.13 0 A 2 +ATOM 453 O O . GLY A 1 58 ? 28.034 8.890 38.802 1.00 22.57 0 A 2 +ATOM 454 N N . ASP A 1 59 ? 29.594 10.506 38.925 1.00 24.58 0 A 2 +ATOM 455 C CA . ASP A 1 59 ? 28.629 11.547 39.277 1.00 24.16 0 A 2 +ATOM 456 C C . ASP A 1 59 ? 28.039 12.230 38.042 1.00 24.90 0 A 2 +ATOM 457 O O . ASP A 1 59 ? 27.347 13.241 38.150 1.00 29.87 0 A 2 +ATOM 458 C CB . ASP A 1 59 ? 29.262 12.582 40.225 1.00 22.42 0 A 2 +ATOM 459 C CG . ASP A 1 59 ? 30.408 13.360 39.591 1.00 24.20 0 A 2 +ATOM 460 O OD1 . ASP A 1 59 ? 31.024 12.878 38.618 1.00 27.29 0 A 2 +ATOM 461 O OD2 . ASP A 1 59 ? 30.705 14.465 40.079 1.00 29.42 0 A 2 +ATOM 462 N N . LEU A 1 60 ? 28.325 11.678 36.871 1.00 21.82 0 A 2 +ATOM 463 C CA . LEU A 1 60 ? 27.817 12.231 35.627 1.00 19.28 0 A 2 +ATOM 464 C C . LEU A 1 60 ? 26.468 11.579 35.361 1.00 19.01 0 A 2 +ATOM 465 O O . LEU A 1 60 ? 26.388 10.367 35.185 1.00 14.88 0 A 2 +ATOM 466 C CB . LEU A 1 60 ? 28.771 11.903 34.476 1.00 20.17 0 A 2 +ATOM 467 C CG . LEU A 1 60 ? 28.858 12.772 33.210 1.00 21.45 0 A 2 +ATOM 468 C CD1 . LEU A 1 60 ? 29.000 11.863 32.022 1.00 16.79 0 A 2 +ATOM 469 C CD2 . LEU A 1 60 ? 27.650 13.667 33.029 1.00 16.92 0 A 2 +ATOM 470 N N . THR A 1 61 ? 25.406 12.373 35.397 1.00 21.90 0 A 2 +ATOM 471 C CA . THR A 1 61 ? 24.069 11.866 35.123 1.00 20.64 0 A 2 +ATOM 472 C C . THR A 1 61 ? 23.702 12.264 33.707 1.00 20.73 0 A 2 +ATOM 473 O O . THR A 1 61 ? 23.856 13.428 33.337 1.00 23.04 0 A 2 +ATOM 474 C CB . THR A 1 61 ? 23.024 12.451 36.090 1.00 18.37 0 A 2 +ATOM 475 C CG2 . THR A 1 61 ? 21.648 11.875 35.788 1.00 13.76 0 A 2 +ATOM 476 O OG1 . THR A 1 61 ? 23.379 12.122 37.434 1.00 11.79 0 A 2 +ATOM 477 N N . LEU A 1 62 ? 23.263 11.298 32.906 1.00 19.85 0 A 2 +ATOM 478 C CA . LEU A 1 62 ? 22.881 11.549 31.520 1.00 15.59 0 A 2 +ATOM 479 C C . LEU A 1 62 ? 21.480 11.095 31.216 1.00 14.82 0 A 2 +ATOM 480 O O . LEU A 1 62 ? 20.937 10.222 31.873 1.00 18.00 0 A 2 +ATOM 481 C CB . LEU A 1 62 ? 23.830 10.828 30.551 1.00 8.32 0 A 2 +ATOM 482 C CG . LEU A 1 62 ? 25.251 11.372 30.468 1.00 13.88 0 A 2 +ATOM 483 C CD1 . LEU A 1 62 ? 26.061 10.434 29.612 1.00 11.63 0 A 2 +ATOM 484 C CD2 . LEU A 1 62 ? 25.250 12.795 29.893 1.00 11.52 0 A 2 +ATOM 485 N N . TYR A 1 63 ? 20.905 11.694 30.189 1.00 19.55 0 A 2 +ATOM 486 C CA . TYR A 1 63 ? 19.578 11.327 29.723 1.00 16.45 0 A 2 +ATOM 487 C C . TYR A 1 63 ? 19.713 11.221 28.194 1.00 15.51 0 A 2 +ATOM 488 O O . TYR A 1 63 ? 20.742 11.613 27.650 1.00 11.02 0 A 2 +ATOM 489 C CB . TYR A 1 63 ? 18.533 12.369 30.167 1.00 14.93 0 A 2 +ATOM 490 C CG . TYR A 1 63 ? 18.391 12.534 31.697 1.00 17.41 0 A 2 +ATOM 491 C CD1 . TYR A 1 63 ? 17.480 11.763 32.423 1.00 15.85 0 A 2 +ATOM 492 C CD2 . TYR A 1 63 ? 19.164 13.473 32.416 1.00 15.04 0 A 2 +ATOM 493 C CE1 . TYR A 1 63 ? 17.336 11.908 33.816 1.00 15.95 0 A 2 +ATOM 494 C CE2 . TYR A 1 63 ? 19.023 13.624 33.809 1.00 15.90 0 A 2 +ATOM 495 C CZ . TYR A 1 63 ? 18.120 12.835 34.494 1.00 16.84 0 A 2 +ATOM 496 O OH . TYR A 1 63 ? 18.092 12.969 35.861 1.00 18.82 0 A 2 +ATOM 497 N N . GLN A 1 64 ? 18.730 10.617 27.536 1.00 17.75 0 A 2 +ATOM 498 C CA . GLN A 1 64 ? 18.734 10.422 26.083 1.00 14.61 0 A 2 +ATOM 499 C C . GLN A 1 64 ? 19.620 9.231 25.692 1.00 14.20 0 A 2 +ATOM 500 O O . GLN A 1 64 ? 20.843 9.296 25.771 1.00 17.72 0 A 2 +ATOM 501 C CB . GLN A 1 64 ? 19.158 11.706 25.362 1.00 19.47 0 A 2 +ATOM 502 C CG . GLN A 1 64 ? 18.217 12.876 25.622 1.00 19.81 0 A 2 +ATOM 503 C CD . GLN A 1 64 ? 16.972 12.805 24.777 1.00 19.26 0 A 2 +ATOM 504 N NE2 . GLN A 1 64 ? 16.094 13.783 24.929 1.00 18.98 0 A 2 +ATOM 505 O OE1 . GLN A 1 64 ? 16.815 11.900 23.979 1.00 26.64 0 A 2 +ATOM 506 N N . SER A 1 65 ? 18.990 8.156 25.233 1.00 14.83 0 A 2 +ATOM 507 C CA . SER A 1 65 ? 19.688 6.933 24.867 1.00 12.57 0 A 2 +ATOM 508 C C . SER A 1 65 ? 20.882 7.142 23.954 1.00 12.63 0 A 2 +ATOM 509 O O . SER A 1 65 ? 21.937 6.548 24.171 1.00 18.50 0 A 2 +ATOM 510 C CB . SER A 1 65 ? 18.712 5.941 24.233 1.00 15.98 0 A 2 +ATOM 511 O OG . SER A 1 65 ? 18.013 6.524 23.134 1.00 12.18 0 A 2 +ATOM 512 N N . ASN A 1 66 ? 20.737 7.996 22.948 1.00 11.55 0 A 2 +ATOM 513 C CA . ASN A 1 66 ? 21.837 8.245 22.015 1.00 8.97 0 A 2 +ATOM 514 C C . ASN A 1 66 ? 22.973 9.010 22.654 1.00 9.97 0 A 2 +ATOM 515 O O . ASN A 1 66 ? 24.112 8.939 22.187 1.00 11.07 0 A 2 +ATOM 516 C CB . ASN A 1 66 ? 21.359 8.950 20.750 1.00 6.70 0 A 2 +ATOM 517 C CG . ASN A 1 66 ? 20.365 8.109 19.955 1.00 8.05 0 A 2 +ATOM 518 N ND2 . ASN A 1 66 ? 20.816 6.975 19.449 1.00 12.10 0 A 2 +ATOM 519 O OD1 . ASN A 1 66 ? 19.205 8.475 19.813 1.00 11.29 0 A 2 +ATOM 520 N N . THR A 1 67 ? 22.676 9.763 23.707 1.00 9.80 0 A 2 +ATOM 521 C CA . THR A 1 67 ? 23.716 10.496 24.422 1.00 13.59 0 A 2 +ATOM 522 C C . THR A 1 67 ? 24.504 9.440 25.190 1.00 9.73 0 A 2 +ATOM 523 O O . THR A 1 67 ? 25.724 9.506 25.285 1.00 11.77 0 A 2 +ATOM 524 C CB . THR A 1 67 ? 23.106 11.517 25.408 1.00 11.02 0 A 2 +ATOM 525 C CG2 . THR A 1 67 ? 24.162 12.122 26.312 1.00 9.87 0 A 2 +ATOM 526 O OG1 . THR A 1 67 ? 22.481 12.558 24.661 1.00 13.78 0 A 2 +ATOM 527 N N . ILE A 1 68 ? 23.803 8.450 25.722 1.00 9.52 0 A 2 +ATOM 528 C CA . ILE A 1 68 ? 24.471 7.391 26.445 1.00 11.43 0 A 2 +ATOM 529 C C . ILE A 1 68 ? 25.345 6.620 25.463 1.00 11.36 0 A 2 +ATOM 530 O O . ILE A 1 68 ? 26.542 6.422 25.703 1.00 9.50 0 A 2 +ATOM 531 C CB . ILE A 1 68 ? 23.462 6.467 27.111 1.00 10.14 0 A 2 +ATOM 532 C CG1 . ILE A 1 68 ? 22.589 7.285 28.052 1.00 5.09 0 A 2 +ATOM 533 C CG2 . ILE A 1 68 ? 24.191 5.366 27.876 1.00 7.03 0 A 2 +ATOM 534 C CD1 . ILE A 1 68 ? 21.330 6.591 28.472 1.00 10.92 0 A 2 +ATOM 535 N N . LEU A 1 69 ? 24.756 6.250 24.330 1.00 11.16 0 A 2 +ATOM 536 C CA . LEU A 1 69 ? 25.473 5.532 23.292 1.00 7.77 0 A 2 +ATOM 537 C C . LEU A 1 69 ? 26.722 6.290 22.865 1.00 8.23 0 A 2 +ATOM 538 O O . LEU A 1 69 ? 27.821 5.748 22.869 1.00 11.43 0 A 2 +ATOM 539 C CB . LEU A 1 69 ? 24.566 5.314 22.091 1.00 8.98 0 A 2 +ATOM 540 C CG . LEU A 1 69 ? 23.581 4.166 22.227 1.00 9.64 0 A 2 +ATOM 541 C CD1 . LEU A 1 69 ? 22.628 4.164 21.030 1.00 9.27 0 A 2 +ATOM 542 C CD2 . LEU A 1 69 ? 24.362 2.855 22.325 1.00 10.12 0 A 2 +ATOM 543 N N . ARG A 1 70 ? 26.565 7.565 22.538 1.00 13.36 0 A 2 +ATOM 544 C CA . ARG A 1 70 ? 27.713 8.356 22.119 1.00 10.47 0 A 2 +ATOM 545 C C . ARG A 1 70 ? 28.731 8.457 23.230 1.00 13.22 0 A 2 +ATOM 546 O O . ARG A 1 70 ? 29.929 8.293 22.994 1.00 13.44 0 A 2 +ATOM 547 C CB . ARG A 1 70 ? 27.299 9.748 21.649 1.00 14.96 0 A 2 +ATOM 548 C CG . ARG A 1 70 ? 26.637 9.727 20.290 1.00 13.07 0 A 2 +ATOM 549 C CD . ARG A 1 70 ? 26.453 11.109 19.693 1.00 10.66 0 A 2 +ATOM 550 N NE . ARG A 1 70 ? 26.169 10.961 18.277 1.00 10.95 0 A 2 +ATOM 551 C CZ . ARG A 1 70 ? 24.954 10.834 17.761 1.00 10.38 0 A 2 +ATOM 552 N NH1 . ARG A 1 70 ? 23.888 10.879 18.545 1.00 10.06 0 A 2 +ATOM 553 N NH2 . ARG A 1 70 ? 24.809 10.546 16.483 1.00 14.85 0 A 2 +ATOM 554 N N . HIS A 1 71 ? 28.259 8.704 24.442 1.00 10.90 0 A 2 +ATOM 555 C CA . HIS A 1 71 ? 29.163 8.811 25.584 1.00 15.78 0 A 2 +ATOM 556 C C . HIS A 1 71 ? 30.019 7.551 25.743 1.00 14.91 0 A 2 +ATOM 557 O O . HIS A 1 71 ? 31.235 7.630 25.895 1.00 20.99 0 A 2 +ATOM 558 C CB . HIS A 1 71 ? 28.381 9.056 26.873 1.00 14.34 0 A 2 +ATOM 559 C CG . HIS A 1 71 ? 29.245 9.071 28.093 1.00 16.78 0 A 2 +ATOM 560 C CD2 . HIS A 1 71 ? 29.302 8.241 29.156 1.00 14.12 0 A 2 +ATOM 561 N ND1 . HIS A 1 71 ? 30.234 10.013 28.290 1.00 15.41 0 A 2 +ATOM 562 C CE1 . HIS A 1 71 ? 30.856 9.766 29.424 1.00 11.19 0 A 2 +ATOM 563 N NE2 . HIS A 1 71 ? 30.310 8.691 29.973 1.00 8.94 0 A 2 +ATOM 564 N N . LEU A 1 72 ? 29.371 6.391 25.732 1.00 19.30 0 A 2 +ATOM 565 C CA . LEU A 1 72 ? 30.065 5.111 25.874 1.00 16.59 0 A 2 +ATOM 566 C C . LEU A 1 72 ? 31.015 4.910 24.703 1.00 18.30 0 A 2 +ATOM 567 O O . LEU A 1 72 ? 32.143 4.439 24.875 1.00 22.34 0 A 2 +ATOM 568 C CB . LEU A 1 72 ? 29.040 3.972 25.900 1.00 12.31 0 A 2 +ATOM 569 C CG . LEU A 1 72 ? 28.630 3.307 27.214 1.00 15.77 0 A 2 +ATOM 570 C CD1 . LEU A 1 72 ? 28.942 4.162 28.429 1.00 13.70 0 A 2 +ATOM 571 C CD2 . LEU A 1 72 ? 27.152 2.954 27.155 1.00 5.95 0 A 2 +ATOM 572 N N . GLY A 1 73 ? 30.576 5.300 23.514 1.00 18.73 0 A 2 +ATOM 573 C CA . GLY A 1 73 ? 31.405 5.138 22.334 1.00 18.87 0 A 2 +ATOM 574 C C . GLY A 1 73 ? 32.640 6.009 22.368 1.00 19.72 0 A 2 +ATOM 575 O O . GLY A 1 73 ? 33.720 5.624 21.905 1.00 18.68 0 A 2 +ATOM 576 N N . ARG A 1 74 ? 32.492 7.182 22.954 1.00 24.00 0 A 2 +ATOM 577 C CA . ARG A 1 74 ? 33.586 8.125 23.051 1.00 25.02 0 A 2 +ATOM 578 C C . ARG A 1 74 ? 34.598 7.638 24.082 1.00 22.13 0 A 2 +ATOM 579 O O . ARG A 1 74 ? 35.784 7.499 23.787 1.00 21.61 0 A 2 +ATOM 580 C CB . ARG A 1 74 ? 33.014 9.490 23.443 1.00 24.98 0 A 2 +ATOM 581 C CG . ARG A 1 74 ? 33.896 10.693 23.160 1.00 27.04 0 A 2 +ATOM 582 C CD . ARG A 1 74 ? 33.027 11.874 22.780 1.00 21.06 0 A 2 +ATOM 583 N NE . ARG A 1 74 ? 31.857 11.924 23.640 1.00 19.49 0 A 2 +ATOM 584 C CZ . ARG A 1 74 ? 30.639 12.270 23.253 1.00 15.40 0 A 2 +ATOM 585 N NH1 . ARG A 1 74 ? 30.386 12.626 22.005 1.00 13.72 0 A 2 +ATOM 586 N NH2 . ARG A 1 74 ? 29.658 12.217 24.131 1.00 15.09 0 A 2 +ATOM 587 N N . THR A 1 75 ? 34.102 7.286 25.260 1.00 15.87 0 A 2 +ATOM 588 C CA . THR A 1 75 ? 34.968 6.847 26.334 1.00 21.99 0 A 2 +ATOM 589 C C . THR A 1 75 ? 35.544 5.446 26.189 1.00 21.93 0 A 2 +ATOM 590 O O . THR A 1 75 ? 36.547 5.124 26.834 1.00 24.68 0 A 2 +ATOM 591 C CB . THR A 1 75 ? 34.251 6.946 27.684 1.00 25.11 0 A 2 +ATOM 592 C CG2 . THR A 1 75 ? 33.944 8.398 28.020 1.00 18.38 0 A 2 +ATOM 593 O OG1 . THR A 1 75 ? 33.022 6.211 27.622 1.00 27.41 0 A 2 +ATOM 594 N N . LEU A 1 76 ? 34.870 4.590 25.422 1.00 20.86 0 A 2 +ATOM 595 C CA . LEU A 1 76 ? 35.336 3.218 25.224 1.00 15.43 0 A 2 +ATOM 596 C C . LEU A 1 76 ? 36.041 2.993 23.895 1.00 17.86 0 A 2 +ATOM 597 O O . LEU A 1 76 ? 36.524 1.890 23.637 1.00 20.78 0 A 2 +ATOM 598 C CB . LEU A 1 76 ? 34.188 2.222 25.360 1.00 15.27 0 A 2 +ATOM 599 C CG . LEU A 1 76 ? 33.811 1.667 26.728 1.00 12.36 0 A 2 +ATOM 600 C CD1 . LEU A 1 76 ? 34.750 2.161 27.818 1.00 13.14 0 A 2 +ATOM 601 C CD2 . LEU A 1 76 ? 32.404 2.057 27.029 1.00 10.91 0 A 2 +ATOM 602 N N . GLY A 1 77 ? 36.086 4.022 23.058 1.00 20.45 0 A 2 +ATOM 603 C CA . GLY A 1 77 ? 36.741 3.892 21.769 1.00 20.48 0 A 2 +ATOM 604 C C . GLY A 1 77 ? 35.939 3.145 20.713 1.00 19.41 0 A 2 +ATOM 605 O O . GLY A 1 77 ? 36.489 2.371 19.941 1.00 17.05 0 A 2 +ATOM 606 N N . LEU A 1 78 ? 34.638 3.385 20.692 1.00 16.20 0 A 2 +ATOM 607 C CA . LEU A 1 78 ? 33.759 2.765 19.715 1.00 12.76 0 A 2 +ATOM 608 C C . LEU A 1 78 ? 33.145 3.892 18.868 1.00 14.52 0 A 2 +ATOM 609 O O . LEU A 1 78 ? 31.960 3.841 18.559 1.00 10.30 0 A 2 +ATOM 610 C CB . LEU A 1 78 ? 32.654 1.982 20.435 1.00 12.99 0 A 2 +ATOM 611 C CG . LEU A 1 78 ? 33.132 1.221 21.678 1.00 13.16 0 A 2 +ATOM 612 C CD1 . LEU A 1 78 ? 31.957 0.613 22.358 1.00 14.45 0 A 2 +ATOM 613 C CD2 . LEU A 1 78 ? 34.173 0.147 21.318 1.00 12.31 0 A 2 +ATOM 614 N N . TYR A 1 79 ? 33.949 4.895 18.492 1.00 18.32 0 A 2 +ATOM 615 C CA . TYR A 1 79 ? 33.461 6.057 17.717 1.00 19.08 0 A 2 +ATOM 616 C C . TYR A 1 79 ? 34.282 6.335 16.432 1.00 22.41 0 A 2 +ATOM 617 O O . TYR A 1 79 ? 34.425 7.490 16.025 1.00 24.01 0 A 2 +ATOM 618 C CB . TYR A 1 79 ? 33.490 7.328 18.594 1.00 12.16 0 A 2 +ATOM 619 C CG . TYR A 1 79 ? 32.309 8.317 18.432 1.00 11.30 0 A 2 +ATOM 620 C CD1 . TYR A 1 79 ? 31.814 8.687 17.176 1.00 10.27 0 A 2 +ATOM 621 C CD2 . TYR A 1 79 ? 31.708 8.905 19.557 1.00 10.23 0 A 2 +ATOM 622 C CE1 . TYR A 1 79 ? 30.742 9.618 17.047 1.00 11.01 0 A 2 +ATOM 623 C CE2 . TYR A 1 79 ? 30.644 9.835 19.442 1.00 6.64 0 A 2 +ATOM 624 C CZ . TYR A 1 79 ? 30.170 10.176 18.189 1.00 10.33 0 A 2 +ATOM 625 O OH . TYR A 1 79 ? 29.089 11.023 18.125 1.00 15.00 0 A 2 +ATOM 626 N N . GLY A 1 80 ? 34.818 5.300 15.795 1.00 20.27 0 A 2 +ATOM 627 C CA . GLY A 1 80 ? 35.598 5.526 14.579 1.00 16.38 0 A 2 +ATOM 628 C C . GLY A 1 80 ? 37.060 5.814 14.848 1.00 19.16 0 A 2 +ATOM 629 O O . GLY A 1 80 ? 37.432 6.134 15.982 1.00 18.11 0 A 2 +ATOM 630 N N . LYS A 1 81 ? 37.902 5.698 13.825 1.00 23.65 0 A 2 +ATOM 631 C CA . LYS A 1 81 ? 39.332 5.915 14.016 1.00 27.37 0 A 2 +ATOM 632 C C . LYS A 1 81 ? 39.734 7.365 13.829 1.00 24.21 0 A 2 +ATOM 633 O O . LYS A 1 81 ? 40.822 7.773 14.213 1.00 26.19 0 A 2 +ATOM 634 C CB . LYS A 1 81 ? 40.154 4.988 13.102 1.00 26.88 0 A 2 +ATOM 635 C CG . LYS A 1 81 ? 40.183 5.383 11.634 1.00 32.77 0 A 2 +ATOM 636 C CD . LYS A 1 81 ? 41.054 4.427 10.827 1.00 34.84 0 A 2 +ATOM 637 C CE . LYS A 1 81 ? 41.326 4.962 9.427 1.00 39.59 0 A 2 +ATOM 638 N NZ . LYS A 1 81 ? 40.084 5.049 8.602 1.00 53.83 0 A 2 +ATOM 639 N N . ASP A 1 82 ? 38.848 8.153 13.236 1.00 27.53 0 A 2 +ATOM 640 C CA . ASP A 1 82 ? 39.128 9.562 13.031 1.00 26.59 0 A 2 +ATOM 641 C C . ASP A 1 82 ? 37.839 10.341 12.891 1.00 23.41 0 A 2 +ATOM 642 O O . ASP A 1 82 ? 36.744 9.763 12.915 1.00 27.26 0 A 2 +ATOM 643 C CB . ASP A 1 82 ? 40.046 9.785 11.814 1.00 26.30 0 A 2 +ATOM 644 C CG . ASP A 1 82 ? 39.506 9.176 10.535 1.00 23.89 0 A 2 +ATOM 645 O OD1 . ASP A 1 82 ? 38.306 9.330 10.236 1.00 28.62 0 A 2 +ATOM 646 O OD2 . ASP A 1 82 ? 40.299 8.549 9.810 1.00 31.21 0 A 2 +ATOM 647 N N . GLN A 1 83 ? 37.975 11.638 12.666 1.00 18.01 0 A 2 +ATOM 648 C CA . GLN A 1 83 ? 36.826 12.508 12.541 1.00 23.83 0 A 2 +ATOM 649 C C . GLN A 1 83 ? 35.909 12.106 11.410 1.00 22.28 0 A 2 +ATOM 650 O O . GLN A 1 83 ? 34.689 12.185 11.543 1.00 22.68 0 A 2 +ATOM 651 C CB . GLN A 1 83 ? 37.281 13.955 12.395 1.00 26.61 0 A 2 +ATOM 652 C CG . GLN A 1 83 ? 37.928 14.491 13.661 1.00 27.18 0 A 2 +ATOM 653 C CD . GLN A 1 83 ? 38.273 15.959 13.575 1.00 33.40 0 A 2 +ATOM 654 N NE2 . GLN A 1 83 ? 38.726 16.394 12.406 1.00 37.74 0 A 2 +ATOM 655 O OE1 . GLN A 1 83 ? 38.147 16.694 14.548 1.00 27.84 0 A 2 +ATOM 656 N N . GLN A 1 84 ? 36.500 11.649 10.320 1.00 22.31 0 A 2 +ATOM 657 C CA . GLN A 1 84 ? 35.731 11.214 9.164 1.00 27.04 0 A 2 +ATOM 658 C C . GLN A 1 84 ? 34.807 10.042 9.557 1.00 23.86 0 A 2 +ATOM 659 O O . GLN A 1 84 ? 33.581 10.138 9.438 1.00 21.39 0 A 2 +ATOM 660 C CB . GLN A 1 84 ? 36.690 10.819 8.035 1.00 31.00 0 A 2 +ATOM 661 C CG . GLN A 1 84 ? 36.010 10.312 6.788 1.00 40.65 0 A 2 +ATOM 662 C CD . GLN A 1 84 ? 36.949 10.262 5.617 1.00 48.02 0 A 2 +ATOM 663 N NE2 . GLN A 1 84 ? 37.213 9.061 5.118 1.00 52.71 0 A 2 +ATOM 664 O OE1 . GLN A 1 84 ? 37.448 11.293 5.172 1.00 55.36 0 A 2 +ATOM 665 N N . GLU A 1 85 ? 35.398 8.976 10.100 1.00 20.99 0 A 2 +ATOM 666 C CA . GLU A 1 85 ? 34.634 7.802 10.517 1.00 18.63 0 A 2 +ATOM 667 C C . GLU A 1 85 ? 33.604 8.196 11.562 1.00 16.42 0 A 2 +ATOM 668 O O . GLU A 1 85 ? 32.473 7.717 11.516 1.00 16.75 0 A 2 +ATOM 669 C CB . GLU A 1 85 ? 35.543 6.692 11.054 1.00 20.21 0 A 2 +ATOM 670 C CG . GLU A 1 85 ? 36.483 6.104 10.021 1.00 21.72 0 A 2 +ATOM 671 C CD . GLU A 1 85 ? 36.989 4.715 10.392 1.00 23.07 0 A 2 +ATOM 672 O OE1 . GLU A 1 85 ? 36.894 4.321 11.577 1.00 19.01 0 A 2 +ATOM 673 O OE2 . GLU A 1 85 ? 37.489 4.013 9.483 1.00 26.83 0 A 2 +ATOM 674 N N . ALA A 1 86 ? 33.982 9.111 12.453 1.00 15.18 0 A 2 +ATOM 675 C CA . ALA A 1 86 ? 33.085 9.604 13.499 1.00 15.43 0 A 2 +ATOM 676 C C . ALA A 1 86 ? 31.807 10.174 12.880 1.00 12.49 0 A 2 +ATOM 677 O O . ALA A 1 86 ? 30.699 9.898 13.354 1.00 13.15 0 A 2 +ATOM 678 C CB . ALA A 1 86 ? 33.791 10.673 14.334 1.00 12.72 0 A 2 +ATOM 679 N N . ALA A 1 87 ? 31.955 10.932 11.800 1.00 11.17 0 A 2 +ATOM 680 C CA . ALA A 1 87 ? 30.799 11.514 11.119 1.00 14.12 0 A 2 +ATOM 681 C C . ALA A 1 87 ? 29.947 10.388 10.505 1.00 12.81 0 A 2 +ATOM 682 O O . ALA A 1 87 ? 28.713 10.405 10.584 1.00 13.07 0 A 2 +ATOM 683 C CB . ALA A 1 87 ? 31.256 12.488 10.035 1.00 11.65 0 A 2 +ATOM 684 N N . LEU A 1 88 ? 30.615 9.416 9.894 1.00 12.83 0 A 2 +ATOM 685 C CA . LEU A 1 88 ? 29.930 8.289 9.272 1.00 11.51 0 A 2 +ATOM 686 C C . LEU A 1 88 ? 29.176 7.489 10.332 1.00 13.02 0 A 2 +ATOM 687 O O . LEU A 1 88 ? 28.034 7.078 10.114 1.00 14.79 0 A 2 +ATOM 688 C CB . LEU A 1 88 ? 30.948 7.432 8.506 1.00 10.68 0 A 2 +ATOM 689 C CG . LEU A 1 88 ? 31.591 8.239 7.364 1.00 11.18 0 A 2 +ATOM 690 C CD1 . LEU A 1 88 ? 32.777 7.518 6.764 1.00 10.41 0 A 2 +ATOM 691 C CD2 . LEU A 1 88 ? 30.554 8.546 6.296 1.00 6.76 0 A 2 +ATOM 692 N N . VAL A 1 89 ? 29.764 7.371 11.515 1.00 11.20 0 A 2 +ATOM 693 C CA . VAL A 1 89 ? 29.126 6.647 12.610 1.00 10.83 0 A 2 +ATOM 694 C C . VAL A 1 89 ? 27.830 7.359 13.022 1.00 14.49 0 A 2 +ATOM 695 O O . VAL A 1 89 ? 26.793 6.724 13.249 1.00 13.06 0 A 2 +ATOM 696 C CB . VAL A 1 89 ? 30.091 6.532 13.829 1.00 14.37 0 A 2 +ATOM 697 C CG1 . VAL A 1 89 ? 29.365 5.971 15.049 1.00 10.83 0 A 2 +ATOM 698 C CG2 . VAL A 1 89 ? 31.256 5.624 13.485 1.00 7.93 0 A 2 +ATOM 699 N N . ASP A 1 90 ? 27.891 8.688 13.096 1.00 17.78 0 A 2 +ATOM 700 C CA . ASP A 1 90 ? 26.741 9.501 13.480 1.00 10.64 0 A 2 +ATOM 701 C C . ASP A 1 90 ? 25.661 9.308 12.438 1.00 9.62 0 A 2 +ATOM 702 O O . ASP A 1 90 ? 24.510 9.057 12.771 1.00 16.15 0 A 2 +ATOM 703 C CB . ASP A 1 90 ? 27.113 10.995 13.530 1.00 9.99 0 A 2 +ATOM 704 C CG . ASP A 1 90 ? 27.827 11.389 14.806 1.00 5.61 0 A 2 +ATOM 705 O OD1 . ASP A 1 90 ? 27.634 10.732 15.833 1.00 13.44 0 A 2 +ATOM 706 O OD2 . ASP A 1 90 ? 28.554 12.384 14.795 1.00 12.55 0 A 2 +ATOM 707 N N . MET A 1 91 ? 26.059 9.400 11.177 1.00 7.49 0 A 2 +ATOM 708 C CA . MET A 1 91 ? 25.145 9.265 10.051 1.00 11.58 0 A 2 +ATOM 709 C C . MET A 1 91 ? 24.354 7.976 10.126 1.00 9.33 0 A 2 +ATOM 710 O O . MET A 1 91 ? 23.138 7.970 9.889 1.00 12.38 0 A 2 +ATOM 711 C CB . MET A 1 91 ? 25.933 9.338 8.750 1.00 9.78 0 A 2 +ATOM 712 C CG . MET A 1 91 ? 25.085 9.507 7.513 1.00 16.04 0 A 2 +ATOM 713 S SD . MET A 1 91 ? 26.173 9.866 6.165 1.00 19.88 0 A 2 +ATOM 714 C CE . MET A 1 91 ? 26.804 8.247 5.843 1.00 29.19 0 A 2 +ATOM 715 N N . VAL A 1 92 ? 25.032 6.887 10.482 1.00 14.63 0 A 2 +ATOM 716 C CA . VAL A 1 92 ? 24.367 5.591 10.610 1.00 13.36 0 A 2 +ATOM 717 C C . VAL A 1 92 ? 23.436 5.634 11.801 1.00 11.03 0 A 2 +ATOM 718 O O . VAL A 1 92 ? 22.268 5.272 11.690 1.00 12.92 0 A 2 +ATOM 719 C CB . VAL A 1 92 ? 25.378 4.446 10.850 1.00 12.08 0 A 2 +ATOM 720 C CG1 . VAL A 1 92 ? 24.644 3.181 11.240 1.00 10.69 0 A 2 +ATOM 721 C CG2 . VAL A 1 92 ? 26.199 4.204 9.608 1.00 7.76 0 A 2 +ATOM 722 N N . ASN A 1 93 ? 23.944 6.094 12.941 1.00 12.31 0 A 2 +ATOM 723 C CA . ASN A 1 93 ? 23.122 6.136 14.139 1.00 10.00 0 A 2 +ATOM 724 C C . ASN A 1 93 ? 21.878 6.971 13.957 1.00 9.72 0 A 2 +ATOM 725 O O . ASN A 1 93 ? 20.793 6.567 14.395 1.00 15.02 0 A 2 +ATOM 726 C CB . ASN A 1 93 ? 23.912 6.635 15.346 1.00 12.15 0 A 2 +ATOM 727 C CG . ASN A 1 93 ? 23.236 6.273 16.632 1.00 14.08 0 A 2 +ATOM 728 N ND2 . ASN A 1 93 ? 23.243 4.988 16.943 1.00 10.51 0 A 2 +ATOM 729 O OD1 . ASN A 1 93 ? 22.626 7.113 17.300 1.00 13.32 0 A 2 +ATOM 730 N N . ASP A 1 94 ? 22.024 8.123 13.296 1.00 9.31 0 A 2 +ATOM 731 C CA . ASP A 1 94 ? 20.875 9.004 13.034 1.00 10.13 0 A 2 +ATOM 732 C C . ASP A 1 94 ? 19.821 8.285 12.195 1.00 7.72 0 A 2 +ATOM 733 O O . ASP A 1 94 ? 18.625 8.434 12.423 1.00 11.87 0 A 2 +ATOM 734 C CB . ASP A 1 94 ? 21.314 10.281 12.316 1.00 11.93 0 A 2 +ATOM 735 C CG . ASP A 1 94 ? 22.129 11.213 13.190 1.00 17.36 0 A 2 +ATOM 736 O OD1 . ASP A 1 94 ? 22.376 10.885 14.372 1.00 22.49 0 A 2 +ATOM 737 O OD2 . ASP A 1 94 ? 22.528 12.276 12.691 1.00 16.78 0 A 2 +ATOM 738 N N . GLY A 1 95 ? 20.271 7.505 11.225 1.00 11.46 0 A 2 +ATOM 739 C CA . GLY A 1 95 ? 19.344 6.757 10.393 1.00 11.96 0 A 2 +ATOM 740 C C . GLY A 1 95 ? 18.632 5.707 11.228 1.00 13.87 0 A 2 +ATOM 741 O O . GLY A 1 95 ? 17.427 5.500 11.076 1.00 10.04 0 A 2 +ATOM 742 N N . VAL A 1 96 ? 19.369 5.065 12.129 1.00 13.88 0 A 2 +ATOM 743 C CA . VAL A 1 96 ? 18.804 4.047 13.012 1.00 11.98 0 A 2 +ATOM 744 C C . VAL A 1 96 ? 17.733 4.721 13.855 1.00 10.88 0 A 2 +ATOM 745 O O . VAL A 1 96 ? 16.599 4.233 13.942 1.00 14.86 0 A 2 +ATOM 746 C CB . VAL A 1 96 ? 19.890 3.414 13.926 1.00 15.73 0 A 2 +ATOM 747 C CG1 . VAL A 1 96 ? 19.267 2.441 14.914 1.00 13.37 0 A 2 +ATOM 748 C CG2 . VAL A 1 96 ? 20.918 2.673 13.084 1.00 13.54 0 A 2 +ATOM 749 N N . GLU A 1 97 ? 18.070 5.886 14.406 1.00 11.49 0 A 2 +ATOM 750 C CA . GLU A 1 97 ? 17.141 6.663 15.235 1.00 13.61 0 A 2 +ATOM 751 C C . GLU A 1 97 ? 15.852 6.996 14.483 1.00 13.41 0 A 2 +ATOM 752 O O . GLU A 1 97 ? 14.761 6.794 15.001 1.00 18.49 0 A 2 +ATOM 753 C CB . GLU A 1 97 ? 17.818 7.951 15.741 1.00 11.32 0 A 2 +ATOM 754 C CG . GLU A 1 97 ? 16.906 8.876 16.551 1.00 10.63 0 A 2 +ATOM 755 C CD . GLU A 1 97 ? 16.251 8.221 17.767 1.00 14.42 0 A 2 +ATOM 756 O OE1 . GLU A 1 97 ? 16.684 7.139 18.215 1.00 11.55 0 A 2 +ATOM 757 O OE2 . GLU A 1 97 ? 15.278 8.812 18.278 1.00 17.87 0 A 2 +ATOM 758 N N . ASP A 1 98 ? 15.980 7.454 13.243 1.00 14.10 0 A 2 +ATOM 759 C CA . ASP A 1 98 ? 14.823 7.781 12.425 1.00 13.15 0 A 2 +ATOM 760 C C . ASP A 1 98 ? 13.903 6.569 12.284 1.00 9.79 0 A 2 +ATOM 761 O O . ASP A 1 98 ? 12.678 6.676 12.405 1.00 11.28 0 A 2 +ATOM 762 C CB . ASP A 1 98 ? 15.277 8.202 11.025 1.00 15.20 0 A 2 +ATOM 763 C CG . ASP A 1 98 ? 15.748 9.643 10.956 1.00 12.17 0 A 2 +ATOM 764 O OD1 . ASP A 1 98 ? 15.709 10.355 11.981 1.00 12.79 0 A 2 +ATOM 765 O OD2 . ASP A 1 98 ? 16.146 10.063 9.856 1.00 23.99 0 A 2 +ATOM 766 N N . LEU A 1 99 ? 14.489 5.418 11.987 1.00 12.65 0 A 2 +ATOM 767 C CA . LEU A 1 99 ? 13.689 4.216 11.809 1.00 15.16 0 A 2 +ATOM 768 C C . LEU A 1 99 ? 13.127 3.719 13.140 1.00 13.92 0 A 2 +ATOM 769 O O . LEU A 1 99 ? 12.013 3.187 13.188 1.00 15.05 0 A 2 +ATOM 770 C CB . LEU A 1 99 ? 14.495 3.127 11.094 1.00 13.89 0 A 2 +ATOM 771 C CG . LEU A 1 99 ? 13.678 1.903 10.669 1.00 15.66 0 A 2 +ATOM 772 C CD1 . LEU A 1 99 ? 12.377 2.319 9.982 1.00 12.79 0 A 2 +ATOM 773 C CD2 . LEU A 1 99 ? 14.516 1.027 9.755 1.00 14.29 0 A 2 +ATOM 774 N N . ARG A 1 100 ? 13.871 3.924 14.224 1.00 13.87 0 A 2 +ATOM 775 C CA . ARG A 1 100 ? 13.394 3.495 15.536 1.00 14.16 0 A 2 +ATOM 776 C C . ARG A 1 100 ? 12.175 4.310 15.953 1.00 12.03 0 A 2 +ATOM 777 O O . ARG A 1 100 ? 11.270 3.792 16.607 1.00 21.59 0 A 2 +ATOM 778 C CB . ARG A 1 100 ? 14.495 3.621 16.594 1.00 10.62 0 A 2 +ATOM 779 C CG . ARG A 1 100 ? 14.062 3.056 17.943 1.00 10.57 0 A 2 +ATOM 780 C CD . ARG A 1 100 ? 15.120 3.201 19.008 1.00 3.47 0 A 2 +ATOM 781 N NE . ARG A 1 100 ? 16.345 2.478 18.689 1.00 12.32 0 A 2 +ATOM 782 C CZ . ARG A 1 100 ? 16.494 1.164 18.803 1.00 10.19 0 A 2 +ATOM 783 N NH1 . ARG A 1 100 ? 15.492 0.412 19.237 1.00 7.16 0 A 2 +ATOM 784 N NH2 . ARG A 1 100 ? 17.657 0.597 18.514 1.00 13.11 0 A 2 +ATOM 785 N N . CYS A 1 101 ? 12.146 5.586 15.579 1.00 12.84 0 A 2 +ATOM 786 C CA . CYS A 1 101 ? 11.024 6.457 15.916 1.00 12.88 0 A 2 +ATOM 787 C C . CYS A 1 101 ? 9.765 5.992 15.209 1.00 11.94 0 A 2 +ATOM 788 O O . CYS A 1 101 ? 8.681 6.012 15.785 1.00 20.94 0 A 2 +ATOM 789 C CB . CYS A 1 101 ? 11.313 7.913 15.539 1.00 15.28 0 A 2 +ATOM 790 S SG . CYS A 1 101 ? 12.611 8.717 16.507 1.00 23.55 0 A 2 +ATOM 791 N N . LYS A 1 102 ? 9.905 5.587 13.953 1.00 12.98 0 A 2 +ATOM 792 C CA . LYS A 1 102 ? 8.764 5.097 13.177 1.00 11.80 0 A 2 +ATOM 793 C C . LYS A 1 102 ? 8.290 3.783 13.792 1.00 12.31 0 A 2 +ATOM 794 O O . LYS A 1 102 ? 7.089 3.555 13.954 1.00 16.55 0 A 2 +ATOM 795 C CB . LYS A 1 102 ? 9.178 4.870 11.722 1.00 17.38 0 A 2 +ATOM 796 C CG . LYS A 1 102 ? 9.590 6.135 10.986 1.00 27.18 0 A 2 +ATOM 797 C CD . LYS A 1 102 ? 10.054 5.801 9.581 1.00 28.92 0 A 2 +ATOM 798 C CE . LYS A 1 102 ? 10.159 7.055 8.725 1.00 33.11 0 A 2 +ATOM 799 N NZ . LYS A 1 102 ? 10.782 6.777 7.399 1.00 36.21 0 A 2 +ATOM 800 N N . TYR A 1 103 ? 9.244 2.935 14.161 1.00 9.24 0 A 2 +ATOM 801 C CA . TYR A 1 103 ? 8.953 1.655 14.788 1.00 14.65 0 A 2 +ATOM 802 C C . TYR A 1 103 ? 8.179 1.917 16.078 1.00 16.69 0 A 2 +ATOM 803 O O . TYR A 1 103 ? 7.094 1.374 16.299 1.00 22.64 0 A 2 +ATOM 804 C CB . TYR A 1 103 ? 10.276 0.926 15.100 1.00 13.23 0 A 2 +ATOM 805 C CG . TYR A 1 103 ? 10.154 -0.306 15.965 1.00 12.67 0 A 2 +ATOM 806 C CD1 . TYR A 1 103 ? 9.865 -1.546 15.410 1.00 11.48 0 A 2 +ATOM 807 C CD2 . TYR A 1 103 ? 10.321 -0.231 17.349 1.00 12.26 0 A 2 +ATOM 808 C CE1 . TYR A 1 103 ? 9.740 -2.688 16.215 1.00 17.09 0 A 2 +ATOM 809 C CE2 . TYR A 1 103 ? 10.201 -1.363 18.165 1.00 18.49 0 A 2 +ATOM 810 C CZ . TYR A 1 103 ? 9.906 -2.583 17.593 1.00 18.16 0 A 2 +ATOM 811 O OH . TYR A 1 103 ? 9.747 -3.689 18.397 1.00 11.85 0 A 2 +ATOM 812 N N . ILE A 1 104 ? 8.733 2.771 16.920 1.00 17.02 0 A 2 +ATOM 813 C CA . ILE A 1 104 ? 8.112 3.097 18.185 1.00 11.67 0 A 2 +ATOM 814 C C . ILE A 1 104 ? 6.701 3.610 17.945 1.00 15.35 0 A 2 +ATOM 815 O O . ILE A 1 104 ? 5.737 3.147 18.557 1.00 18.65 0 A 2 +ATOM 816 C CB . ILE A 1 104 ? 8.981 4.128 18.938 1.00 13.49 0 A 2 +ATOM 817 C CG1 . ILE A 1 104 ? 10.269 3.451 19.431 1.00 15.14 0 A 2 +ATOM 818 C CG2 . ILE A 1 104 ? 8.198 4.747 20.086 1.00 11.97 0 A 2 +ATOM 819 C CD1 . ILE A 1 104 ? 11.308 4.406 19.990 1.00 5.69 0 A 2 +ATOM 820 N N . SER A 1 105 ? 6.572 4.511 16.984 1.00 18.14 0 A 2 +ATOM 821 C CA . SER A 1 105 ? 5.281 5.087 16.654 1.00 19.80 0 A 2 +ATOM 822 C C . SER A 1 105 ? 4.285 3.981 16.313 1.00 18.91 0 A 2 +ATOM 823 O O . SER A 1 105 ? 3.157 4.001 16.779 1.00 21.94 0 A 2 +ATOM 824 C CB . SER A 1 105 ? 5.423 6.050 15.475 1.00 19.96 0 A 2 +ATOM 825 O OG . SER A 1 105 ? 4.228 6.761 15.258 1.00 22.52 0 A 2 +ATOM 826 N N . LEU A 1 106 ? 4.691 3.025 15.495 1.00 15.98 0 A 2 +ATOM 827 C CA . LEU A 1 106 ? 3.797 1.933 15.131 1.00 19.05 0 A 2 +ATOM 828 C C . LEU A 1 106 ? 3.364 1.175 16.378 1.00 17.47 0 A 2 +ATOM 829 O O . LEU A 1 106 ? 2.184 1.115 16.716 1.00 19.49 0 A 2 +ATOM 830 C CB . LEU A 1 106 ? 4.506 0.970 14.178 1.00 16.89 0 A 2 +ATOM 831 C CG . LEU A 1 106 ? 3.736 -0.311 13.827 1.00 24.30 0 A 2 +ATOM 832 C CD1 . LEU A 1 106 ? 2.528 0.012 12.935 1.00 12.38 0 A 2 +ATOM 833 C CD2 . LEU A 1 106 ? 4.677 -1.291 13.143 1.00 22.23 0 A 2 +ATOM 834 N N . ILE A 1 107 ? 4.353 0.653 17.086 1.00 15.72 0 A 2 +ATOM 835 C CA . ILE A 1 107 ? 4.140 -0.122 18.297 1.00 23.09 0 A 2 +ATOM 836 C C . ILE A 1 107 ? 3.180 0.494 19.304 1.00 22.75 0 A 2 +ATOM 837 O O . ILE A 1 107 ? 2.372 -0.219 19.897 1.00 25.35 0 A 2 +ATOM 838 C CB . ILE A 1 107 ? 5.484 -0.383 19.017 1.00 25.26 0 A 2 +ATOM 839 C CG1 . ILE A 1 107 ? 6.428 -1.159 18.091 1.00 19.76 0 A 2 +ATOM 840 C CG2 . ILE A 1 107 ? 5.264 -1.133 20.342 1.00 25.52 0 A 2 +ATOM 841 C CD1 . ILE A 1 107 ? 5.884 -2.493 17.636 1.00 19.78 0 A 2 +ATOM 842 N N . TYR A 1 108 ? 3.267 1.810 19.498 1.00 21.63 0 A 2 +ATOM 843 C CA . TYR A 1 108 ? 2.428 2.506 20.472 1.00 22.71 0 A 2 +ATOM 844 C C . TYR A 1 108 ? 1.256 3.363 19.894 1.00 23.36 0 A 2 +ATOM 845 O O . TYR A 1 108 ? 0.242 3.566 20.557 1.00 24.40 0 A 2 +ATOM 846 C CB . TYR A 1 108 ? 3.351 3.365 21.395 1.00 21.01 0 A 2 +ATOM 847 C CG . TYR A 1 108 ? 4.365 2.595 22.246 1.00 18.74 0 A 2 +ATOM 848 C CD1 . TYR A 1 108 ? 3.965 1.963 23.430 1.00 20.42 0 A 2 +ATOM 849 C CD2 . TYR A 1 108 ? 5.708 2.448 21.851 1.00 21.62 0 A 2 +ATOM 850 C CE1 . TYR A 1 108 ? 4.842 1.213 24.182 1.00 17.64 0 A 2 +ATOM 851 C CE2 . TYR A 1 108 ? 6.599 1.683 22.625 1.00 16.73 0 A 2 +ATOM 852 C CZ . TYR A 1 108 ? 6.139 1.074 23.788 1.00 21.39 0 A 2 +ATOM 853 O OH . TYR A 1 108 ? 6.951 0.376 24.643 1.00 24.74 0 A 2 +ATOM 854 N N . THR A 1 109 ? 1.351 3.785 18.638 1.00 28.26 0 A 2 +ATOM 855 C CA . THR A 1 109 ? 0.323 4.650 18.044 1.00 31.34 0 A 2 +ATOM 856 C C . THR A 1 109 ? -0.742 3.953 17.215 1.00 33.54 0 A 2 +ATOM 857 O O . THR A 1 109 ? -1.935 4.252 17.332 1.00 30.65 0 A 2 +ATOM 858 C CB . THR A 1 109 ? 0.982 5.803 17.252 1.00 28.77 0 A 2 +ATOM 859 C CG2 . THR A 1 109 ? -0.010 6.536 16.361 1.00 37.77 0 A 2 +ATOM 860 O OG1 . THR A 1 109 ? 1.547 6.724 18.187 1.00 30.80 0 A 2 +ATOM 861 N N . ASN A 1 110 ? -0.323 3.019 16.375 1.00 31.20 0 A 2 +ATOM 862 C CA . ASN A 1 110 ? -1.288 2.299 15.569 1.00 33.49 0 A 2 +ATOM 863 C C . ASN A 1 110 ? -0.725 1.006 15.013 1.00 31.43 0 A 2 +ATOM 864 O O . ASN A 1 110 ? -0.522 0.856 13.816 1.00 31.15 0 A 2 +ATOM 865 C CB . ASN A 1 110 ? -1.887 3.194 14.476 1.00 37.66 0 A 2 +ATOM 866 C CG . ASN A 1 110 ? -0.851 3.708 13.498 1.00 44.60 0 A 2 +ATOM 867 N ND2 . ASN A 1 110 ? 0.323 4.075 13.991 1.00 45.88 0 A 2 +ATOM 868 O OD1 . ASN A 1 110 ? -1.117 3.788 12.302 1.00 46.35 0 A 2 +ATOM 869 N N . TYR A 1 111 ? -0.515 0.052 15.910 1.00 29.11 0 A 2 +ATOM 870 C CA . TYR A 1 111 ? 0.014 -1.245 15.544 1.00 28.88 0 A 2 +ATOM 871 C C . TYR A 1 111 ? -0.891 -2.015 14.582 1.00 29.41 0 A 2 +ATOM 872 O O . TYR A 1 111 ? -0.450 -2.436 13.521 1.00 29.16 0 A 2 +ATOM 873 C CB . TYR A 1 111 ? 0.244 -2.077 16.798 1.00 25.82 0 A 2 +ATOM 874 C CG . TYR A 1 111 ? 0.954 -3.375 16.518 1.00 27.76 0 A 2 +ATOM 875 C CD1 . TYR A 1 111 ? 0.263 -4.480 16.044 1.00 25.95 0 A 2 +ATOM 876 C CD2 . TYR A 1 111 ? 2.332 -3.487 16.692 1.00 25.97 0 A 2 +ATOM 877 C CE1 . TYR A 1 111 ? 0.925 -5.662 15.740 1.00 32.35 0 A 2 +ATOM 878 C CE2 . TYR A 1 111 ? 3.005 -4.658 16.390 1.00 21.03 0 A 2 +ATOM 879 C CZ . TYR A 1 111 ? 2.300 -5.740 15.915 1.00 29.01 0 A 2 +ATOM 880 O OH . TYR A 1 111 ? 2.966 -6.892 15.594 1.00 26.57 0 A 2 +ATOM 881 N N . GLU A 1 112 ? -2.162 -2.175 14.939 1.00 34.78 0 A 2 +ATOM 882 C CA . GLU A 1 112 ? -3.116 -2.924 14.120 1.00 39.41 0 A 2 +ATOM 883 C C . GLU A 1 112 ? -3.372 -2.339 12.746 1.00 37.93 0 A 2 +ATOM 884 O O . GLU A 1 112 ? -3.377 -3.064 11.748 1.00 34.97 0 A 2 +ATOM 885 C CB . GLU A 1 112 ? -4.453 -3.077 14.845 1.00 46.25 0 A 2 +ATOM 886 C CG . GLU A 1 112 ? -4.408 -3.942 16.093 1.00 60.16 0 A 2 +ATOM 887 C CD . GLU A 1 112 ? -3.550 -3.340 17.202 1.00 68.30 0 A 2 +ATOM 888 O OE1 . GLU A 1 112 ? -3.701 -2.133 17.507 1.00 69.80 0 A 2 +ATOM 889 O OE2 . GLU A 1 112 ? -2.715 -4.079 17.775 1.00 71.81 0 A 2 +ATOM 890 N N . ALA A 1 113 ? -3.616 -1.035 12.699 1.00 38.97 0 A 2 +ATOM 891 C CA . ALA A 1 113 ? -3.893 -0.354 11.437 1.00 38.90 0 A 2 +ATOM 892 C C . ALA A 1 113 ? -2.675 -0.154 10.527 1.00 35.73 0 A 2 +ATOM 893 O O . ALA A 1 113 ? -2.758 -0.371 9.316 1.00 34.40 0 A 2 +ATOM 894 C CB . ALA A 1 113 ? -4.586 0.984 11.711 1.00 35.69 0 A 2 +ATOM 895 N N . GLY A 1 114 ? -1.537 0.204 11.105 1.00 33.14 0 A 2 +ATOM 896 C CA . GLY A 1 114 ? -0.369 0.463 10.286 1.00 32.59 0 A 2 +ATOM 897 C C . GLY A 1 114 ? 0.669 -0.617 10.041 1.00 31.61 0 A 2 +ATOM 898 O O . GLY A 1 114 ? 1.575 -0.413 9.225 1.00 34.95 0 A 2 +ATOM 899 N N . LYS A 1 115 ? 0.536 -1.773 10.677 1.00 24.40 0 A 2 +ATOM 900 C CA . LYS A 1 115 ? 1.529 -2.826 10.509 1.00 26.77 0 A 2 +ATOM 901 C C . LYS A 1 115 ? 1.757 -3.208 9.054 1.00 29.74 0 A 2 +ATOM 902 O O . LYS A 1 115 ? 2.900 -3.286 8.609 1.00 35.37 0 A 2 +ATOM 903 C CB . LYS A 1 115 ? 1.161 -4.057 11.337 1.00 28.02 0 A 2 +ATOM 904 C CG . LYS A 1 115 ? 2.303 -5.045 11.560 1.00 23.76 0 A 2 +ATOM 905 C CD . LYS A 1 115 ? 1.820 -6.215 12.379 1.00 22.74 0 A 2 +ATOM 906 C CE . LYS A 1 115 ? 2.829 -7.341 12.421 1.00 23.64 0 A 2 +ATOM 907 N NZ . LYS A 1 115 ? 4.085 -6.942 13.091 1.00 33.60 0 A 2 +ATOM 908 N N . ASP A 1 116 ? 0.686 -3.399 8.291 1.00 34.44 0 A 2 +ATOM 909 C CA . ASP A 1 116 ? 0.836 -3.774 6.879 1.00 33.22 0 A 2 +ATOM 910 C C . ASP A 1 116 ? 1.624 -2.749 6.097 1.00 25.88 0 A 2 +ATOM 911 O O . ASP A 1 116 ? 2.594 -3.068 5.418 1.00 23.26 0 A 2 +ATOM 912 C CB . ASP A 1 116 ? -0.525 -3.968 6.216 1.00 45.11 0 A 2 +ATOM 913 C CG . ASP A 1 116 ? -1.308 -5.128 6.808 1.00 51.52 0 A 2 +ATOM 914 O OD1 . ASP A 1 116 ? -0.687 -6.121 7.244 1.00 54.29 0 A 2 +ATOM 915 O OD2 . ASP A 1 116 ? -2.552 -5.045 6.845 1.00 58.73 0 A 2 +ATOM 916 N N . ASP A 1 117 ? 1.218 -1.499 6.220 1.00 29.35 0 A 2 +ATOM 917 C CA . ASP A 1 117 ? 1.894 -0.437 5.512 1.00 26.52 0 A 2 +ATOM 918 C C . ASP A 1 117 ? 3.340 -0.305 5.949 1.00 22.67 0 A 2 +ATOM 919 O O . ASP A 1 117 ? 4.223 -0.071 5.126 1.00 21.20 0 A 2 +ATOM 920 C CB . ASP A 1 117 ? 1.143 0.875 5.702 1.00 30.38 0 A 2 +ATOM 921 C CG . ASP A 1 117 ? -0.171 0.909 4.930 1.00 36.23 0 A 2 +ATOM 922 O OD1 . ASP A 1 117 ? -0.308 0.191 3.905 1.00 35.08 0 A 2 +ATOM 923 O OD2 . ASP A 1 117 ? -1.068 1.664 5.344 1.00 40.82 0 A 2 +ATOM 924 N N . TYR A 1 118 ? 3.590 -0.538 7.230 1.00 19.95 0 A 2 +ATOM 925 C CA . TYR A 1 118 ? 4.929 -0.427 7.772 1.00 16.19 0 A 2 +ATOM 926 C C . TYR A 1 118 ? 5.828 -1.509 7.184 1.00 21.17 0 A 2 +ATOM 927 O O . TYR A 1 118 ? 6.943 -1.242 6.718 1.00 20.90 0 A 2 +ATOM 928 C CB . TYR A 1 118 ? 4.879 -0.531 9.303 1.00 14.13 0 A 2 +ATOM 929 C CG . TYR A 1 118 ? 6.191 -0.222 9.985 1.00 16.19 0 A 2 +ATOM 930 C CD1 . TYR A 1 118 ? 7.125 -1.222 10.229 1.00 16.18 0 A 2 +ATOM 931 C CD2 . TYR A 1 118 ? 6.507 1.089 10.369 1.00 15.74 0 A 2 +ATOM 932 C CE1 . TYR A 1 118 ? 8.335 -0.928 10.824 1.00 17.42 0 A 2 +ATOM 933 C CE2 . TYR A 1 118 ? 7.721 1.389 10.969 1.00 14.62 0 A 2 +ATOM 934 C CZ . TYR A 1 118 ? 8.629 0.364 11.188 1.00 17.45 0 A 2 +ATOM 935 O OH . TYR A 1 118 ? 9.852 0.607 11.767 1.00 16.68 0 A 2 +ATOM 936 N N . VAL A 1 119 ? 5.325 -2.736 7.204 1.00 26.68 0 A 2 +ATOM 937 C CA . VAL A 1 119 ? 6.063 -3.879 6.693 1.00 27.41 0 A 2 +ATOM 938 C C . VAL A 1 119 ? 6.299 -3.748 5.197 1.00 27.37 0 A 2 +ATOM 939 O O . VAL A 1 119 ? 7.336 -4.173 4.686 1.00 25.57 0 A 2 +ATOM 940 C CB . VAL A 1 119 ? 5.347 -5.199 7.044 1.00 28.54 0 A 2 +ATOM 941 C CG1 . VAL A 1 119 ? 6.012 -6.382 6.335 1.00 27.92 0 A 2 +ATOM 942 C CG2 . VAL A 1 119 ? 5.365 -5.407 8.565 1.00 22.22 0 A 2 +ATOM 943 N N . LYS A 1 120 ? 5.347 -3.139 4.495 1.00 30.82 0 A 2 +ATOM 944 C CA . LYS A 1 120 ? 5.494 -2.933 3.060 1.00 33.93 0 A 2 +ATOM 945 C C . LYS A 1 120 ? 6.619 -1.941 2.804 1.00 29.52 0 A 2 +ATOM 946 O O . LYS A 1 120 ? 7.393 -2.110 1.870 1.00 27.60 0 A 2 +ATOM 947 C CB . LYS A 1 120 ? 4.198 -2.403 2.449 1.00 40.91 0 A 2 +ATOM 948 C CG . LYS A 1 120 ? 3.108 -3.440 2.300 1.00 52.35 0 A 2 +ATOM 949 C CD . LYS A 1 120 ? 1.810 -2.774 1.887 1.00 62.16 0 A 2 +ATOM 950 C CE . LYS A 1 120 ? 0.701 -3.785 1.682 1.00 64.49 0 A 2 +ATOM 951 N NZ . LYS A 1 120 ? -0.624 -3.100 1.579 1.00 71.12 0 A 2 +ATOM 952 N N . ALA A 1 121 ? 6.725 -0.927 3.661 1.00 26.57 0 A 2 +ATOM 953 C CA . ALA A 1 121 ? 7.759 0.091 3.503 1.00 24.50 0 A 2 +ATOM 954 C C . ALA A 1 121 ? 9.126 -0.318 4.023 1.00 20.48 0 A 2 +ATOM 955 O O . ALA A 1 121 ? 10.136 0.236 3.595 1.00 25.32 0 A 2 +ATOM 956 C CB . ALA A 1 121 ? 7.323 1.404 4.156 1.00 21.25 0 A 2 +ATOM 957 N N . LEU A 1 122 ? 9.176 -1.320 4.894 1.00 20.79 0 A 2 +ATOM 958 C CA . LEU A 1 122 ? 10.448 -1.762 5.468 1.00 20.56 0 A 2 +ATOM 959 C C . LEU A 1 122 ? 11.633 -1.938 4.524 1.00 18.57 0 A 2 +ATOM 960 O O . LEU A 1 122 ? 12.688 -1.351 4.753 1.00 26.35 0 A 2 +ATOM 961 C CB . LEU A 1 122 ? 10.285 -3.038 6.311 1.00 18.11 0 A 2 +ATOM 962 C CG . LEU A 1 122 ? 10.430 -2.864 7.826 1.00 21.41 0 A 2 +ATOM 963 C CD1 . LEU A 1 122 ? 10.673 -4.227 8.478 1.00 19.12 0 A 2 +ATOM 964 C CD2 . LEU A 1 122 ? 11.579 -1.909 8.140 1.00 10.04 0 A 2 +ATOM 965 N N . PRO A 1 123 ? 11.488 -2.728 3.451 1.00 18.53 0 A 2 +ATOM 966 C CA . PRO A 1 123 ? 12.606 -2.923 2.529 1.00 17.86 0 A 2 +ATOM 967 C C . PRO A 1 123 ? 13.363 -1.626 2.214 1.00 19.01 0 A 2 +ATOM 968 O O . PRO A 1 123 ? 14.598 -1.564 2.328 1.00 19.65 0 A 2 +ATOM 969 C CB . PRO A 1 123 ? 11.924 -3.498 1.290 1.00 19.69 0 A 2 +ATOM 970 C CG . PRO A 1 123 ? 10.831 -4.290 1.868 1.00 13.62 0 A 2 +ATOM 971 C CD . PRO A 1 123 ? 10.272 -3.387 2.930 1.00 16.52 0 A 2 +ATOM 972 N N . GLY A 1 124 ? 12.609 -0.585 1.873 1.00 16.44 0 A 2 +ATOM 973 C CA . GLY A 1 124 ? 13.206 0.699 1.552 1.00 19.77 0 A 2 +ATOM 974 C C . GLY A 1 124 ? 13.901 1.365 2.728 1.00 20.03 0 A 2 +ATOM 975 O O . GLY A 1 124 ? 14.868 2.093 2.539 1.00 22.98 0 A 2 +ATOM 976 N N . GLN A 1 125 ? 13.419 1.099 3.939 1.00 17.30 0 A 2 +ATOM 977 C CA . GLN A 1 125 ? 14.008 1.672 5.144 1.00 16.24 0 A 2 +ATOM 978 C C . GLN A 1 125 ? 15.279 0.938 5.550 1.00 15.26 0 A 2 +ATOM 979 O O . GLN A 1 125 ? 16.153 1.506 6.210 1.00 19.15 0 A 2 +ATOM 980 C CB . GLN A 1 125 ? 13.011 1.614 6.294 1.00 16.01 0 A 2 +ATOM 981 C CG . GLN A 1 125 ? 11.735 2.372 6.034 1.00 17.50 0 A 2 +ATOM 982 C CD . GLN A 1 125 ? 11.980 3.851 5.849 1.00 24.85 0 A 2 +ATOM 983 N NE2 . GLN A 1 125 ? 12.709 4.445 6.778 1.00 25.77 0 A 2 +ATOM 984 O OE1 . GLN A 1 125 ? 11.518 4.456 4.883 1.00 28.68 0 A 2 +ATOM 985 N N . LEU A 1 126 ? 15.370 -0.335 5.184 1.00 16.33 0 A 2 +ATOM 986 C CA . LEU A 1 126 ? 16.536 -1.148 5.520 1.00 17.45 0 A 2 +ATOM 987 C C . LEU A 1 126 ? 17.615 -1.028 4.469 1.00 18.14 0 A 2 +ATOM 988 O O . LEU A 1 126 ? 18.805 -1.101 4.784 1.00 25.46 0 A 2 +ATOM 989 C CB . LEU A 1 126 ? 16.136 -2.615 5.683 1.00 16.46 0 A 2 +ATOM 990 C CG . LEU A 1 126 ? 15.171 -2.918 6.825 1.00 20.15 0 A 2 +ATOM 991 C CD1 . LEU A 1 126 ? 14.774 -4.400 6.819 1.00 17.45 0 A 2 +ATOM 992 C CD2 . LEU A 1 126 ? 15.814 -2.517 8.149 1.00 14.62 0 A 2 +ATOM 993 N N . LYS A 1 127 ? 17.202 -0.839 3.220 1.00 17.93 0 A 2 +ATOM 994 C CA . LYS A 1 127 ? 18.111 -0.701 2.090 1.00 18.57 0 A 2 +ATOM 995 C C . LYS A 1 127 ? 19.342 0.168 2.349 1.00 20.23 0 A 2 +ATOM 996 O O . LYS A 1 127 ? 20.460 -0.195 1.955 1.00 21.96 0 A 2 +ATOM 997 C CB . LYS A 1 127 ? 17.356 -0.161 0.881 1.00 25.83 0 A 2 +ATOM 998 C CG . LYS A 1 127 ? 17.391 -1.064 -0.338 1.00 37.54 0 A 2 +ATOM 999 C CD . LYS A 1 127 ? 16.347 -0.631 -1.354 1.00 44.78 0 A 2 +ATOM 1000 C CE . LYS A 1 127 ? 16.233 -1.618 -2.502 1.00 50.61 0 A 2 +ATOM 1001 N NZ . LYS A 1 127 ? 15.004 -1.334 -3.295 1.00 54.16 0 A 2 +ATOM 1002 N N . PRO A 1 128 ? 19.167 1.340 2.993 1.00 21.41 0 A 2 +ATOM 1003 C CA . PRO A 1 128 ? 20.328 2.203 3.261 1.00 17.21 0 A 2 +ATOM 1004 C C . PRO A 1 128 ? 21.460 1.535 4.063 1.00 14.30 0 A 2 +ATOM 1005 O O . PRO A 1 128 ? 22.645 1.771 3.794 1.00 17.45 0 A 2 +ATOM 1006 C CB . PRO A 1 128 ? 19.714 3.369 4.031 1.00 17.18 0 A 2 +ATOM 1007 C CG . PRO A 1 128 ? 18.353 3.474 3.431 1.00 17.64 0 A 2 +ATOM 1008 C CD . PRO A 1 128 ? 17.918 2.029 3.374 1.00 16.09 0 A 2 +ATOM 1009 N N . PHE A 1 129 ? 21.102 0.666 5.003 1.00 13.97 0 A 2 +ATOM 1010 C CA . PHE A 1 129 ? 22.106 -0.004 5.832 1.00 15.11 0 A 2 +ATOM 1011 C C . PHE A 1 129 ? 22.828 -1.112 5.089 1.00 15.41 0 A 2 +ATOM 1012 O O . PHE A 1 129 ? 24.017 -1.340 5.312 1.00 16.71 0 A 2 +ATOM 1013 C CB . PHE A 1 129 ? 21.464 -0.488 7.131 1.00 14.45 0 A 2 +ATOM 1014 C CG . PHE A 1 129 ? 20.779 0.612 7.873 1.00 18.90 0 A 2 +ATOM 1015 C CD1 . PHE A 1 129 ? 21.517 1.561 8.584 1.00 19.40 0 A 2 +ATOM 1016 C CD2 . PHE A 1 129 ? 19.401 0.763 7.788 1.00 19.14 0 A 2 +ATOM 1017 C CE1 . PHE A 1 129 ? 20.881 2.654 9.187 1.00 18.63 0 A 2 +ATOM 1018 C CE2 . PHE A 1 129 ? 18.755 1.857 8.386 1.00 18.95 0 A 2 +ATOM 1019 C CZ . PHE A 1 129 ? 19.496 2.803 9.089 1.00 7.59 0 A 2 +ATOM 1020 N N . GLU A 1 130 ? 22.124 -1.751 4.162 1.00 17.31 0 A 2 +ATOM 1021 C CA . GLU A 1 130 ? 22.704 -2.805 3.331 1.00 20.93 0 A 2 +ATOM 1022 C C . GLU A 1 130 ? 23.737 -2.124 2.394 1.00 20.50 0 A 2 +ATOM 1023 O O . GLU A 1 130 ? 24.892 -2.571 2.268 1.00 20.68 0 A 2 +ATOM 1024 C CB . GLU A 1 130 ? 21.587 -3.509 2.546 1.00 18.29 0 A 2 +ATOM 1025 C CG . GLU A 1 130 ? 22.029 -4.629 1.599 1.00 21.84 0 A 2 +ATOM 1026 C CD . GLU A 1 130 ? 22.492 -5.909 2.287 1.00 22.93 0 A 2 +ATOM 1027 O OE1 . GLU A 1 130 ? 22.473 -5.983 3.533 1.00 26.14 0 A 2 +ATOM 1028 O OE2 . GLU A 1 130 ? 22.880 -6.851 1.561 1.00 23.95 0 A 2 +ATOM 1029 N N . THR A 1 131 ? 23.343 -0.986 1.831 1.00 19.13 0 A 2 +ATOM 1030 C CA . THR A 1 131 ? 24.196 -0.209 0.941 1.00 18.96 0 A 2 +ATOM 1031 C C . THR A 1 131 ? 25.465 0.226 1.661 1.00 16.89 0 A 2 +ATOM 1032 O O . THR A 1 131 ? 26.567 0.089 1.127 1.00 24.80 0 A 2 +ATOM 1033 C CB . THR A 1 131 ? 23.459 1.035 0.418 1.00 22.34 0 A 2 +ATOM 1034 C CG2 . THR A 1 131 ? 24.323 1.799 -0.577 1.00 24.70 0 A 2 +ATOM 1035 O OG1 . THR A 1 131 ? 22.239 0.624 -0.214 1.00 21.08 0 A 2 +ATOM 1036 N N . LEU A 1 132 ? 25.300 0.771 2.862 1.00 15.24 0 A 2 +ATOM 1037 C CA . LEU A 1 132 ? 26.425 1.204 3.689 1.00 18.82 0 A 2 +ATOM 1038 C C . LEU A 1 132 ? 27.404 0.046 3.835 1.00 23.43 0 A 2 +ATOM 1039 O O . LEU A 1 132 ? 28.625 0.205 3.669 1.00 26.11 0 A 2 +ATOM 1040 C CB . LEU A 1 132 ? 25.916 1.589 5.075 1.00 16.26 0 A 2 +ATOM 1041 C CG . LEU A 1 132 ? 25.371 3.005 5.159 1.00 17.65 0 A 2 +ATOM 1042 C CD1 . LEU A 1 132 ? 24.541 3.203 6.404 1.00 11.78 0 A 2 +ATOM 1043 C CD2 . LEU A 1 132 ? 26.549 3.959 5.138 1.00 18.72 0 A 2 +ATOM 1044 N N . LEU A 1 133 ? 26.841 -1.123 4.118 1.00 22.15 0 A 2 +ATOM 1045 C CA . LEU A 1 133 ? 27.624 -2.335 4.289 1.00 25.34 0 A 2 +ATOM 1046 C C . LEU A 1 133 ? 28.407 -2.706 3.023 1.00 23.05 0 A 2 +ATOM 1047 O O . LEU A 1 133 ? 29.600 -2.994 3.099 1.00 27.63 0 A 2 +ATOM 1048 C CB . LEU A 1 133 ? 26.698 -3.472 4.695 1.00 21.69 0 A 2 +ATOM 1049 C CG . LEU A 1 133 ? 26.997 -4.200 5.999 1.00 23.31 0 A 2 +ATOM 1050 C CD1 . LEU A 1 133 ? 27.700 -3.282 6.980 1.00 17.10 0 A 2 +ATOM 1051 C CD2 . LEU A 1 133 ? 25.682 -4.736 6.569 1.00 14.40 0 A 2 +ATOM 1052 N N . SER A 1 134 ? 27.761 -2.660 1.858 1.00 20.70 0 A 2 +ATOM 1053 C CA . SER A 1 134 ? 28.450 -3.004 0.617 1.00 20.46 0 A 2 +ATOM 1054 C C . SER A 1 134 ? 29.585 -2.046 0.288 1.00 20.87 0 A 2 +ATOM 1055 O O . SER A 1 134 ? 30.473 -2.382 -0.500 1.00 21.25 0 A 2 +ATOM 1056 C CB . SER A 1 134 ? 27.477 -3.046 -0.556 1.00 19.60 0 A 2 +ATOM 1057 O OG . SER A 1 134 ? 26.987 -1.759 -0.856 1.00 31.77 0 A 2 +ATOM 1058 N N . GLN A 1 135 ? 29.552 -0.847 0.866 1.00 24.07 0 A 2 +ATOM 1059 C CA . GLN A 1 135 ? 30.610 0.134 0.599 1.00 23.11 0 A 2 +ATOM 1060 C C . GLN A 1 135 ? 31.778 0.042 1.574 1.00 21.26 0 A 2 +ATOM 1061 O O . GLN A 1 135 ? 32.792 0.717 1.412 1.00 24.65 0 A 2 +ATOM 1062 C CB . GLN A 1 135 ? 30.028 1.539 0.597 1.00 22.43 0 A 2 +ATOM 1063 C CG . GLN A 1 135 ? 29.009 1.736 -0.491 1.00 25.74 0 A 2 +ATOM 1064 C CD . GLN A 1 135 ? 28.144 2.946 -0.247 1.00 34.49 0 A 2 +ATOM 1065 N NE2 . GLN A 1 135 ? 27.409 3.359 -1.273 1.00 31.85 0 A 2 +ATOM 1066 O OE1 . GLN A 1 135 ? 28.126 3.505 0.852 1.00 35.27 0 A 2 +ATOM 1067 N N . ASN A 1 136 ? 31.654 -0.824 2.570 1.00 26.24 0 A 2 +ATOM 1068 C CA . ASN A 1 136 ? 32.697 -0.987 3.565 1.00 23.91 0 A 2 +ATOM 1069 C C . ASN A 1 136 ? 33.199 -2.428 3.613 1.00 23.19 0 A 2 +ATOM 1070 O O . ASN A 1 136 ? 32.666 -3.261 4.332 1.00 20.02 0 A 2 +ATOM 1071 C CB . ASN A 1 136 ? 32.169 -0.546 4.936 1.00 23.14 0 A 2 +ATOM 1072 C CG . ASN A 1 136 ? 33.213 -0.655 6.033 1.00 18.43 0 A 2 +ATOM 1073 N ND2 . ASN A 1 136 ? 34.479 -0.471 5.676 1.00 18.88 0 A 2 +ATOM 1074 O OD1 . ASN A 1 136 ? 32.882 -0.845 7.200 1.00 22.95 0 A 2 +ATOM 1075 N N . GLN A 1 137 ? 34.226 -2.715 2.818 1.00 30.48 0 A 2 +ATOM 1076 C CA . GLN A 1 137 ? 34.833 -4.043 2.752 1.00 35.38 0 A 2 +ATOM 1077 C C . GLN A 1 137 ? 33.843 -5.159 2.476 1.00 34.39 0 A 2 +ATOM 1078 O O . GLN A 1 137 ? 33.921 -6.233 3.067 1.00 35.83 0 A 2 +ATOM 1079 C CB . GLN A 1 137 ? 35.613 -4.374 4.026 1.00 40.71 0 A 2 +ATOM 1080 C CG . GLN A 1 137 ? 36.799 -3.479 4.283 1.00 49.70 0 A 2 +ATOM 1081 C CD . GLN A 1 137 ? 37.728 -4.051 5.324 1.00 56.20 0 A 2 +ATOM 1082 N NE2 . GLN A 1 137 ? 38.935 -4.409 4.899 1.00 63.16 0 A 2 +ATOM 1083 O OE1 . GLN A 1 137 ? 37.369 -4.182 6.496 1.00 59.11 0 A 2 +ATOM 1084 N N . GLY A 1 138 ? 32.884 -4.876 1.608 1.00 32.06 0 A 2 +ATOM 1085 C CA . GLY A 1 138 ? 31.899 -5.878 1.250 1.00 31.36 0 A 2 +ATOM 1086 C C . GLY A 1 138 ? 31.026 -6.338 2.387 1.00 27.95 0 A 2 +ATOM 1087 O O . GLY A 1 138 ? 30.523 -7.457 2.365 1.00 32.30 0 A 2 +ATOM 1088 N N . GLY A 1 139 ? 30.857 -5.486 3.392 1.00 27.76 0 A 2 +ATOM 1089 C CA . GLY A 1 139 ? 30.020 -5.833 4.524 1.00 29.62 0 A 2 +ATOM 1090 C C . GLY A 1 139 ? 30.588 -6.928 5.403 1.00 30.31 0 A 2 +ATOM 1091 O O . GLY A 1 139 ? 29.869 -7.526 6.204 1.00 32.63 0 A 2 +ATOM 1092 N N . LYS A 1 140 ? 31.885 -7.171 5.289 1.00 31.25 0 A 2 +ATOM 1093 C CA . LYS A 1 140 ? 32.532 -8.209 6.075 1.00 28.63 0 A 2 +ATOM 1094 C C . LYS A 1 140 ? 32.838 -7.832 7.521 1.00 25.10 0 A 2 +ATOM 1095 O O . LYS A 1 140 ? 32.866 -8.706 8.386 1.00 23.68 0 A 2 +ATOM 1096 C CB . LYS A 1 140 ? 33.816 -8.664 5.374 1.00 38.49 0 A 2 +ATOM 1097 C CG . LYS A 1 140 ? 33.786 -10.103 4.893 1.00 45.35 0 A 2 +ATOM 1098 C CD . LYS A 1 140 ? 32.569 -10.374 4.024 1.00 54.87 0 A 2 +ATOM 1099 C CE . LYS A 1 140 ? 32.462 -11.855 3.683 1.00 61.70 0 A 2 +ATOM 1100 N NZ . LYS A 1 140 ? 31.275 -12.116 2.828 1.00 63.75 0 A 2 +ATOM 1101 N N . THR A 1 141 ? 33.077 -6.549 7.791 1.00 22.30 0 A 2 +ATOM 1102 C CA . THR A 1 141 ? 33.420 -6.137 9.145 1.00 22.12 0 A 2 +ATOM 1103 C C . THR A 1 141 ? 32.312 -5.438 9.931 1.00 24.90 0 A 2 +ATOM 1104 O O . THR A 1 141 ? 31.436 -6.116 10.479 1.00 20.04 0 A 2 +ATOM 1105 C CB . THR A 1 141 ? 34.715 -5.304 9.166 1.00 20.16 0 A 2 +ATOM 1106 C CG2 . THR A 1 141 ? 35.896 -6.148 8.686 1.00 19.92 0 A 2 +ATOM 1107 O OG1 . THR A 1 141 ? 34.566 -4.176 8.302 1.00 24.19 0 A 2 +ATOM 1108 N N . PHE A 1 142 ? 32.322 -4.104 9.972 1.00 24.06 0 A 2 +ATOM 1109 C CA . PHE A 1 142 ? 31.328 -3.350 10.737 1.00 14.11 0 A 2 +ATOM 1110 C C . PHE A 1 142 ? 30.607 -2.332 9.878 1.00 13.22 0 A 2 +ATOM 1111 O O . PHE A 1 142 ? 30.921 -2.193 8.699 1.00 18.13 0 A 2 +ATOM 1112 C CB . PHE A 1 142 ? 32.006 -2.701 11.949 1.00 8.66 0 A 2 +ATOM 1113 C CG . PHE A 1 142 ? 32.659 -3.701 12.861 1.00 11.23 0 A 2 +ATOM 1114 C CD1 . PHE A 1 142 ? 31.893 -4.490 13.713 1.00 15.29 0 A 2 +ATOM 1115 C CD2 . PHE A 1 142 ? 34.025 -3.897 12.830 1.00 9.81 0 A 2 +ATOM 1116 C CE1 . PHE A 1 142 ? 32.484 -5.461 14.521 1.00 16.60 0 A 2 +ATOM 1117 C CE2 . PHE A 1 142 ? 34.624 -4.866 13.630 1.00 11.20 0 A 2 +ATOM 1118 C CZ . PHE A 1 142 ? 33.852 -5.646 14.476 1.00 13.77 0 A 2 +ATOM 1119 N N . ILE A 1 143 ? 29.658 -1.605 10.451 1.00 11.57 0 A 2 +ATOM 1120 C CA . ILE A 1 143 ? 28.908 -0.637 9.658 1.00 14.47 0 A 2 +ATOM 1121 C C . ILE A 1 143 ? 29.769 0.510 9.124 1.00 13.79 0 A 2 +ATOM 1122 O O . ILE A 1 143 ? 29.466 1.091 8.084 1.00 17.62 0 A 2 +ATOM 1123 C CB . ILE A 1 143 ? 27.650 -0.116 10.399 1.00 13.56 0 A 2 +ATOM 1124 C CG1 . ILE A 1 143 ? 26.737 0.599 9.404 1.00 10.06 0 A 2 +ATOM 1125 C CG2 . ILE A 1 143 ? 28.024 0.808 11.544 1.00 8.18 0 A 2 +ATOM 1126 C CD1 . ILE A 1 143 ? 26.239 -0.283 8.277 1.00 15.67 0 A 2 +ATOM 1127 N N . VAL A 1 144 ? 30.832 0.835 9.851 1.00 15.47 0 A 2 +ATOM 1128 C CA . VAL A 1 144 ? 31.761 1.887 9.457 1.00 14.78 0 A 2 +ATOM 1129 C C . VAL A 1 144 ? 33.159 1.483 9.906 1.00 15.71 0 A 2 +ATOM 1130 O O . VAL A 1 144 ? 33.374 1.188 11.086 1.00 18.76 0 A 2 +ATOM 1131 C CB . VAL A 1 144 ? 31.440 3.242 10.136 1.00 16.32 0 A 2 +ATOM 1132 C CG1 . VAL A 1 144 ? 32.579 4.231 9.909 1.00 15.35 0 A 2 +ATOM 1133 C CG2 . VAL A 1 144 ? 30.136 3.812 9.599 1.00 11.41 0 A 2 +ATOM 1134 N N . GLY A 1 145 ? 34.103 1.502 8.971 1.00 15.97 0 A 2 +ATOM 1135 C CA . GLY A 1 145 ? 35.481 1.156 9.290 1.00 14.24 0 A 2 +ATOM 1136 C C . GLY A 1 145 ? 35.681 -0.309 9.604 1.00 16.29 0 A 2 +ATOM 1137 O O . GLY A 1 145 ? 34.833 -1.146 9.288 1.00 18.65 0 A 2 +ATOM 1138 N N . ASP A 1 146 ? 36.803 -0.641 10.230 1.00 22.54 0 A 2 +ATOM 1139 C CA . ASP A 1 146 ? 37.084 -2.034 10.565 1.00 30.65 0 A 2 +ATOM 1140 C C . ASP A 1 146 ? 37.012 -2.371 12.047 1.00 29.65 0 A 2 +ATOM 1141 O O . ASP A 1 146 ? 37.369 -3.471 12.458 1.00 28.68 0 A 2 +ATOM 1142 C CB . ASP A 1 146 ? 38.444 -2.452 9.997 1.00 37.31 0 A 2 +ATOM 1143 C CG . ASP A 1 146 ? 39.569 -1.497 10.380 1.00 43.55 0 A 2 +ATOM 1144 O OD1 . ASP A 1 146 ? 39.509 -0.880 11.465 1.00 45.41 0 A 2 +ATOM 1145 O OD2 . ASP A 1 146 ? 40.525 -1.373 9.585 1.00 49.65 0 A 2 +ATOM 1146 N N . GLN A 1 147 ? 36.566 -1.413 12.850 1.00 28.56 0 A 2 +ATOM 1147 C CA . GLN A 1 147 ? 36.437 -1.614 14.285 1.00 25.18 0 A 2 +ATOM 1148 C C . GLN A 1 147 ? 34.977 -1.342 14.611 1.00 20.70 0 A 2 +ATOM 1149 O O . GLN A 1 147 ? 34.332 -0.547 13.936 1.00 11.29 0 A 2 +ATOM 1150 C CB . GLN A 1 147 ? 37.355 -0.657 15.048 1.00 29.51 0 A 2 +ATOM 1151 C CG . GLN A 1 147 ? 37.255 0.793 14.573 1.00 46.36 0 A 2 +ATOM 1152 C CD . GLN A 1 147 ? 38.002 1.785 15.456 1.00 50.66 0 A 2 +ATOM 1153 N NE2 . GLN A 1 147 ? 37.448 2.065 16.635 1.00 48.79 0 A 2 +ATOM 1154 O OE1 . GLN A 1 147 ? 39.046 2.323 15.061 1.00 49.66 0 A 2 +ATOM 1155 N N . ILE A 1 148 ? 34.457 -2.013 15.631 1.00 22.06 0 A 2 +ATOM 1156 C CA . ILE A 1 148 ? 33.054 -1.843 16.015 1.00 21.02 0 A 2 +ATOM 1157 C C . ILE A 1 148 ? 32.782 -0.468 16.629 1.00 19.78 0 A 2 +ATOM 1158 O O . ILE A 1 148 ? 33.680 0.122 17.231 1.00 20.36 0 A 2 +ATOM 1159 C CB . ILE A 1 148 ? 32.631 -2.963 16.989 1.00 21.27 0 A 2 +ATOM 1160 C CG1 . ILE A 1 148 ? 31.124 -3.190 16.887 1.00 17.36 0 A 2 +ATOM 1161 C CG2 . ILE A 1 148 ? 33.044 -2.623 18.431 1.00 18.05 0 A 2 +ATOM 1162 C CD1 . ILE A 1 148 ? 30.646 -4.458 17.539 1.00 11.65 0 A 2 +ATOM 1163 N N . SER A 1 149 ? 31.542 0.024 16.513 1.00 16.67 0 A 2 +ATOM 1164 C CA . SER A 1 149 ? 31.172 1.333 17.051 1.00 11.93 0 A 2 +ATOM 1165 C C . SER A 1 149 ? 29.793 1.262 17.661 1.00 12.08 0 A 2 +ATOM 1166 O O . SER A 1 149 ? 29.045 0.330 17.380 1.00 17.21 0 A 2 +ATOM 1167 C CB . SER A 1 149 ? 31.178 2.388 15.951 1.00 13.43 0 A 2 +ATOM 1168 O OG . SER A 1 149 ? 30.105 2.181 15.059 1.00 19.78 0 A 2 +ATOM 1169 N N . PHE A 1 150 ? 29.411 2.276 18.430 1.00 15.90 0 A 2 +ATOM 1170 C CA . PHE A 1 150 ? 28.100 2.264 19.078 1.00 14.28 0 A 2 +ATOM 1171 C C . PHE A 1 150 ? 26.984 2.146 18.057 1.00 15.07 0 A 2 +ATOM 1172 O O . PHE A 1 150 ? 25.911 1.611 18.356 1.00 18.45 0 A 2 +ATOM 1173 C CB . PHE A 1 150 ? 27.900 3.504 19.979 1.00 6.01 0 A 2 +ATOM 1174 C CG . PHE A 1 150 ? 27.835 4.803 19.227 1.00 10.24 0 A 2 +ATOM 1175 C CD1 . PHE A 1 150 ? 28.993 5.524 18.968 1.00 7.79 0 A 2 +ATOM 1176 C CD2 . PHE A 1 150 ? 26.621 5.314 18.794 1.00 11.20 0 A 2 +ATOM 1177 C CE1 . PHE A 1 150 ? 28.942 6.723 18.292 1.00 4.86 0 A 2 +ATOM 1178 C CE2 . PHE A 1 150 ? 26.570 6.524 18.106 1.00 12.43 0 A 2 +ATOM 1179 C CZ . PHE A 1 150 ? 27.730 7.230 17.862 1.00 6.22 0 A 2 +ATOM 1180 N N . ALA A 1 151 ? 27.238 2.628 16.845 1.00 14.67 0 A 2 +ATOM 1181 C CA . ALA A 1 151 ? 26.234 2.566 15.793 1.00 9.86 0 A 2 +ATOM 1182 C C . ALA A 1 151 ? 25.937 1.113 15.461 1.00 13.64 0 A 2 +ATOM 1183 O O . ALA A 1 151 ? 24.796 0.773 15.153 1.00 18.49 0 A 2 +ATOM 1184 C CB . ALA A 1 151 ? 26.692 3.288 14.567 1.00 8.29 0 A 2 +ATOM 1185 N N . ASP A 1 152 ? 26.941 0.252 15.579 1.00 12.74 0 A 2 +ATOM 1186 C CA . ASP A 1 152 ? 26.762 -1.168 15.285 1.00 13.75 0 A 2 +ATOM 1187 C C . ASP A 1 152 ? 25.723 -1.790 16.213 1.00 15.55 0 A 2 +ATOM 1188 O O . ASP A 1 152 ? 24.763 -2.407 15.748 1.00 16.12 0 A 2 +ATOM 1189 C CB . ASP A 1 152 ? 28.078 -1.926 15.465 1.00 15.38 0 A 2 +ATOM 1190 C CG . ASP A 1 152 ? 29.038 -1.733 14.308 1.00 17.05 0 A 2 +ATOM 1191 O OD1 . ASP A 1 152 ? 28.714 -2.155 13.187 1.00 17.90 0 A 2 +ATOM 1192 O OD2 . ASP A 1 152 ? 30.124 -1.165 14.518 1.00 20.46 0 A 2 +ATOM 1193 N N . TYR A 1 153 ? 25.924 -1.607 17.522 1.00 13.19 0 A 2 +ATOM 1194 C CA . TYR A 1 153 ? 25.040 -2.154 18.555 1.00 10.85 0 A 2 +ATOM 1195 C C . TYR A 1 153 ? 23.624 -1.621 18.398 1.00 12.72 0 A 2 +ATOM 1196 O O . TYR A 1 153 ? 22.663 -2.385 18.525 1.00 12.65 0 A 2 +ATOM 1197 C CB . TYR A 1 153 ? 25.591 -1.855 19.966 1.00 11.09 0 A 2 +ATOM 1198 C CG . TYR A 1 153 ? 26.973 -2.455 20.291 1.00 15.15 0 A 2 +ATOM 1199 C CD1 . TYR A 1 153 ? 27.119 -3.785 20.694 1.00 10.58 0 A 2 +ATOM 1200 C CD2 . TYR A 1 153 ? 28.127 -1.668 20.249 1.00 12.66 0 A 2 +ATOM 1201 C CE1 . TYR A 1 153 ? 28.373 -4.302 21.046 1.00 8.48 0 A 2 +ATOM 1202 C CE2 . TYR A 1 153 ? 29.370 -2.180 20.595 1.00 10.43 0 A 2 +ATOM 1203 C CZ . TYR A 1 153 ? 29.481 -3.491 20.981 1.00 11.25 0 A 2 +ATOM 1204 O OH . TYR A 1 153 ? 30.746 -3.941 21.243 1.00 19.43 0 A 2 +ATOM 1205 N N . ASN A 1 154 ? 23.506 -0.356 18.001 1.00 13.16 0 A 2 +ATOM 1206 C CA . ASN A 1 154 ? 22.192 0.264 17.795 1.00 11.86 0 A 2 +ATOM 1207 C C . ASN A 1 154 ? 21.528 -0.320 16.539 1.00 11.31 0 A 2 +ATOM 1208 O O . ASN A 1 154 ? 20.362 -0.729 16.575 1.00 11.43 0 A 2 +ATOM 1209 C CB . ASN A 1 154 ? 22.323 1.777 17.674 1.00 11.48 0 A 2 +ATOM 1210 C CG . ASN A 1 154 ? 21.061 2.502 18.071 1.00 14.75 0 A 2 +ATOM 1211 N ND2 . ASN A 1 154 ? 20.086 1.768 18.591 1.00 6.38 0 A 2 +ATOM 1212 O OD1 . ASN A 1 154 ? 20.976 3.725 17.955 1.00 21.70 0 A 2 +ATOM 1213 N N . LEU A 1 155 ? 22.292 -0.416 15.455 1.00 13.15 0 A 2 +ATOM 1214 C CA . LEU A 1 155 ? 21.775 -0.982 14.209 1.00 14.55 0 A 2 +ATOM 1215 C C . LEU A 1 155 ? 21.429 -2.460 14.418 1.00 14.03 0 A 2 +ATOM 1216 O O . LEU A 1 155 ? 20.401 -2.931 13.936 1.00 19.73 0 A 2 +ATOM 1217 C CB . LEU A 1 155 ? 22.797 -0.857 13.078 1.00 15.19 0 A 2 +ATOM 1218 C CG . LEU A 1 155 ? 22.381 -1.556 11.776 1.00 13.54 0 A 2 +ATOM 1219 C CD1 . LEU A 1 155 ? 21.102 -0.951 11.237 1.00 18.54 0 A 2 +ATOM 1220 C CD2 . LEU A 1 155 ? 23.469 -1.446 10.753 1.00 10.60 0 A 2 +ATOM 1221 N N . LEU A 1 156 ? 22.269 -3.177 15.159 1.00 10.91 0 A 2 +ATOM 1222 C CA . LEU A 1 156 ? 22.024 -4.587 15.426 1.00 12.78 0 A 2 +ATOM 1223 C C . LEU A 1 156 ? 20.675 -4.731 16.106 1.00 12.99 0 A 2 +ATOM 1224 O O . LEU A 1 156 ? 19.826 -5.500 15.666 1.00 16.51 0 A 2 +ATOM 1225 C CB . LEU A 1 156 ? 23.117 -5.169 16.324 1.00 14.51 0 A 2 +ATOM 1226 C CG . LEU A 1 156 ? 22.848 -6.627 16.722 1.00 14.61 0 A 2 +ATOM 1227 C CD1 . LEU A 1 156 ? 22.664 -7.464 15.471 1.00 4.81 0 A 2 +ATOM 1228 C CD2 . LEU A 1 156 ? 23.987 -7.164 17.578 1.00 12.07 0 A 2 +ATOM 1229 N N . ASP A 1 157 ? 20.453 -3.945 17.149 1.00 13.61 0 A 2 +ATOM 1230 C CA . ASP A 1 157 ? 19.191 -4.004 17.864 1.00 11.27 0 A 2 +ATOM 1231 C C . ASP A 1 157 ? 18.033 -3.691 16.946 1.00 8.71 0 A 2 +ATOM 1232 O O . ASP A 1 157 ? 17.021 -4.393 16.956 1.00 14.18 0 A 2 +ATOM 1233 C CB . ASP A 1 157 ? 19.177 -3.050 19.057 1.00 12.35 0 A 2 +ATOM 1234 C CG . ASP A 1 157 ? 17.883 -3.127 19.835 1.00 16.63 0 A 2 +ATOM 1235 O OD1 . ASP A 1 157 ? 17.596 -4.206 20.393 1.00 20.35 0 A 2 +ATOM 1236 O OD2 . ASP A 1 157 ? 17.135 -2.129 19.859 1.00 19.29 0 A 2 +ATOM 1237 N N . LEU A 1 158 ? 18.174 -2.642 16.143 1.00 8.50 0 A 2 +ATOM 1238 C CA . LEU A 1 158 ? 17.119 -2.259 15.222 1.00 12.15 0 A 2 +ATOM 1239 C C . LEU A 1 158 ? 16.764 -3.488 14.380 1.00 11.76 0 A 2 +ATOM 1240 O O . LEU A 1 158 ? 15.597 -3.880 14.267 1.00 15.38 0 A 2 +ATOM 1241 C CB . LEU A 1 158 ? 17.612 -1.136 14.310 1.00 9.73 0 A 2 +ATOM 1242 C CG . LEU A 1 158 ? 16.573 -0.495 13.396 1.00 14.65 0 A 2 +ATOM 1243 C CD1 . LEU A 1 158 ? 15.553 0.229 14.248 1.00 12.92 0 A 2 +ATOM 1244 C CD2 . LEU A 1 158 ? 17.250 0.479 12.423 1.00 16.13 0 A 2 +ATOM 1245 N N . LEU A 1 159 ? 17.796 -4.111 13.830 1.00 12.20 0 A 2 +ATOM 1246 C CA . LEU A 1 159 ? 17.623 -5.282 12.990 1.00 10.97 0 A 2 +ATOM 1247 C C . LEU A 1 159 ? 16.921 -6.386 13.761 1.00 13.12 0 A 2 +ATOM 1248 O O . LEU A 1 159 ? 15.886 -6.886 13.321 1.00 17.52 0 A 2 +ATOM 1249 C CB . LEU A 1 159 ? 18.977 -5.754 12.449 1.00 6.80 0 A 2 +ATOM 1250 C CG . LEU A 1 159 ? 19.628 -4.708 11.534 1.00 8.80 0 A 2 +ATOM 1251 C CD1 . LEU A 1 159 ? 20.974 -5.190 11.044 1.00 3.64 0 A 2 +ATOM 1252 C CD2 . LEU A 1 159 ? 18.701 -4.368 10.358 1.00 7.07 0 A 2 +ATOM 1253 N N . LEU A 1 160 ? 17.422 -6.703 14.945 1.00 15.08 0 A 2 +ATOM 1254 C CA . LEU A 1 160 ? 16.808 -7.741 15.745 1.00 14.96 0 A 2 +ATOM 1255 C C . LEU A 1 160 ? 15.324 -7.509 15.981 1.00 18.02 0 A 2 +ATOM 1256 O O . LEU A 1 160 ? 14.501 -8.377 15.667 1.00 21.87 0 A 2 +ATOM 1257 C CB . LEU A 1 160 ? 17.524 -7.889 17.090 1.00 12.66 0 A 2 +ATOM 1258 C CG . LEU A 1 160 ? 18.942 -8.468 17.007 1.00 13.90 0 A 2 +ATOM 1259 C CD1 . LEU A 1 160 ? 19.583 -8.420 18.375 1.00 14.44 0 A 2 +ATOM 1260 C CD2 . LEU A 1 160 ? 18.910 -9.897 16.485 1.00 8.80 0 A 2 +ATOM 1261 N N . ILE A 1 161 ? 14.956 -6.317 16.440 1.00 21.24 0 A 2 +ATOM 1262 C CA . ILE A 1 161 ? 13.539 -6.078 16.734 1.00 20.05 0 A 2 +ATOM 1263 C C . ILE A 1 161 ? 12.690 -6.137 15.483 1.00 17.90 0 A 2 +ATOM 1264 O O . ILE A 1 161 ? 11.517 -6.497 15.543 1.00 15.99 0 A 2 +ATOM 1265 C CB . ILE A 1 161 ? 13.281 -4.749 17.483 1.00 15.47 0 A 2 +ATOM 1266 C CG1 . ILE A 1 161 ? 13.653 -3.545 16.615 1.00 17.10 0 A 2 +ATOM 1267 C CG2 . ILE A 1 161 ? 14.020 -4.742 18.789 1.00 10.74 0 A 2 +ATOM 1268 C CD1 . ILE A 1 161 ? 13.587 -2.235 17.350 1.00 13.71 0 A 2 +ATOM 1269 N N . HIS A 1 162 ? 13.293 -5.851 14.338 1.00 17.42 0 A 2 +ATOM 1270 C CA . HIS A 1 162 ? 12.526 -5.904 13.121 1.00 20.75 0 A 2 +ATOM 1271 C C . HIS A 1 162 ? 12.265 -7.326 12.660 1.00 22.73 0 A 2 +ATOM 1272 O O . HIS A 1 162 ? 11.197 -7.607 12.137 1.00 21.43 0 A 2 +ATOM 1273 C CB . HIS A 1 162 ? 13.136 -5.017 12.033 1.00 18.62 0 A 2 +ATOM 1274 C CG . HIS A 1 162 ? 12.746 -3.585 12.159 1.00 20.28 0 A 2 +ATOM 1275 C CD2 . HIS A 1 162 ? 11.683 -2.901 11.654 1.00 14.06 0 A 2 +ATOM 1276 N ND1 . HIS A 1 162 ? 13.407 -2.701 12.985 1.00 16.29 0 A 2 +ATOM 1277 C CE1 . HIS A 1 162 ? 12.766 -1.547 12.997 1.00 14.06 0 A 2 +ATOM 1278 N NE2 . HIS A 1 162 ? 11.713 -1.651 12.196 1.00 10.82 0 A 2 +ATOM 1279 N N . GLU A 1 163 ? 13.189 -8.235 12.953 1.00 17.62 0 A 2 +ATOM 1280 C CA . GLU A 1 163 ? 13.004 -9.631 12.561 1.00 24.14 0 A 2 +ATOM 1281 C C . GLU A 1 163 ? 11.787 -10.190 13.288 1.00 21.50 0 A 2 +ATOM 1282 O O . GLU A 1 163 ? 11.038 -10.994 12.745 1.00 23.44 0 A 2 +ATOM 1283 C CB . GLU A 1 163 ? 14.245 -10.476 12.884 1.00 25.02 0 A 2 +ATOM 1284 C CG . GLU A 1 163 ? 15.323 -10.441 11.800 1.00 32.38 0 A 2 +ATOM 1285 C CD . GLU A 1 163 ? 15.076 -11.441 10.667 1.00 39.96 0 A 2 +ATOM 1286 O OE1 . GLU A 1 163 ? 15.113 -12.661 10.938 1.00 43.34 0 A 2 +ATOM 1287 O OE2 . GLU A 1 163 ? 14.878 -11.018 9.504 1.00 35.46 0 A 2 +ATOM 1288 N N . VAL A 1 164 ? 11.582 -9.732 14.515 1.00 24.17 0 A 2 +ATOM 1289 C CA . VAL A 1 164 ? 10.449 -10.158 15.314 1.00 19.93 0 A 2 +ATOM 1290 C C . VAL A 1 164 ? 9.184 -9.542 14.745 1.00 20.76 0 A 2 +ATOM 1291 O O . VAL A 1 164 ? 8.161 -10.215 14.627 1.00 26.65 0 A 2 +ATOM 1292 C CB . VAL A 1 164 ? 10.618 -9.730 16.769 1.00 22.44 0 A 2 +ATOM 1293 C CG1 . VAL A 1 164 ? 9.357 -10.024 17.560 1.00 16.14 0 A 2 +ATOM 1294 C CG2 . VAL A 1 164 ? 11.814 -10.447 17.383 1.00 14.63 0 A 2 +ATOM 1295 N N . LEU A 1 165 ? 9.278 -8.272 14.365 1.00 19.96 0 A 2 +ATOM 1296 C CA . LEU A 1 165 ? 8.147 -7.553 13.802 1.00 17.74 0 A 2 +ATOM 1297 C C . LEU A 1 165 ? 7.730 -8.142 12.448 1.00 18.72 0 A 2 +ATOM 1298 O O . LEU A 1 165 ? 6.555 -8.385 12.191 1.00 15.88 0 A 2 +ATOM 1299 C CB . LEU A 1 165 ? 8.515 -6.082 13.631 1.00 19.36 0 A 2 +ATOM 1300 C CG . LEU A 1 165 ? 7.410 -5.187 13.070 1.00 22.16 0 A 2 +ATOM 1301 C CD1 . LEU A 1 165 ? 6.266 -5.073 14.082 1.00 13.13 0 A 2 +ATOM 1302 C CD2 . LEU A 1 165 ? 7.995 -3.824 12.749 1.00 15.95 0 A 2 +ATOM 1303 N N . ALA A 1 166 ? 8.705 -8.333 11.576 1.00 18.28 0 A 2 +ATOM 1304 C CA . ALA A 1 166 ? 8.458 -8.876 10.254 1.00 17.97 0 A 2 +ATOM 1305 C C . ALA A 1 166 ? 9.470 -9.980 10.016 1.00 19.36 0 A 2 +ATOM 1306 O O . ALA A 1 166 ? 10.512 -9.755 9.394 1.00 27.25 0 A 2 +ATOM 1307 C CB . ALA A 1 166 ? 8.620 -7.792 9.220 1.00 15.80 0 A 2 +ATOM 1308 N N . PRO A 1 167 ? 9.179 -11.195 10.501 1.00 21.81 0 A 2 +ATOM 1309 C CA . PRO A 1 167 ? 10.093 -12.327 10.322 1.00 22.48 0 A 2 +ATOM 1310 C C . PRO A 1 167 ? 10.555 -12.442 8.867 1.00 25.49 0 A 2 +ATOM 1311 O O . PRO A 1 167 ? 9.741 -12.400 7.945 1.00 29.29 0 A 2 +ATOM 1312 C CB . PRO A 1 167 ? 9.240 -13.528 10.735 1.00 20.23 0 A 2 +ATOM 1313 C CG . PRO A 1 167 ? 8.300 -12.954 11.756 1.00 12.89 0 A 2 +ATOM 1314 C CD . PRO A 1 167 ? 7.909 -11.623 11.136 1.00 17.95 0 A 2 +ATOM 1315 N N . GLY A 1 168 ? 11.866 -12.510 8.670 1.00 25.81 0 A 2 +ATOM 1316 C CA . GLY A 1 168 ? 12.405 -12.642 7.330 1.00 21.82 0 A 2 +ATOM 1317 C C . GLY A 1 168 ? 12.663 -11.374 6.535 1.00 20.75 0 A 2 +ATOM 1318 O O . GLY A 1 168 ? 13.161 -11.445 5.409 1.00 21.49 0 A 2 +ATOM 1319 N N . CYS A 1 169 ? 12.419 -10.216 7.134 1.00 21.15 0 A 2 +ATOM 1320 C CA . CYS A 1 169 ? 12.638 -8.943 6.444 1.00 21.47 0 A 2 +ATOM 1321 C C . CYS A 1 169 ? 14.100 -8.779 6.035 1.00 23.12 0 A 2 +ATOM 1322 O O . CYS A 1 169 ? 14.434 -7.893 5.244 1.00 29.31 0 A 2 +ATOM 1323 C CB . CYS A 1 169 ? 12.237 -7.793 7.357 1.00 18.54 0 A 2 +ATOM 1324 S SG . CYS A 1 169 ? 13.053 -7.918 8.952 1.00 16.50 0 A 2 +ATOM 1325 N N . LEU A 1 170 ? 14.976 -9.625 6.573 1.00 21.97 0 A 2 +ATOM 1326 C CA . LEU A 1 170 ? 16.389 -9.540 6.240 1.00 19.55 0 A 2 +ATOM 1327 C C . LEU A 1 170 ? 16.794 -10.501 5.132 1.00 20.60 0 A 2 +ATOM 1328 O O . LEU A 1 170 ? 17.922 -10.463 4.651 1.00 22.79 0 A 2 +ATOM 1329 C CB . LEU A 1 170 ? 17.239 -9.754 7.487 1.00 17.85 0 A 2 +ATOM 1330 C CG . LEU A 1 170 ? 17.920 -8.509 8.062 1.00 15.57 0 A 2 +ATOM 1331 C CD1 . LEU A 1 170 ? 17.034 -7.286 7.997 1.00 7.75 0 A 2 +ATOM 1332 C CD2 . LEU A 1 170 ? 18.317 -8.785 9.477 1.00 4.59 0 A 2 +ATOM 1333 N N . ASP A 1 171 ? 15.853 -11.322 4.676 1.00 21.29 0 A 2 +ATOM 1334 C CA . ASP A 1 171 ? 16.141 -12.286 3.615 1.00 22.57 0 A 2 +ATOM 1335 C C . ASP A 1 171 ? 16.614 -11.618 2.337 1.00 25.88 0 A 2 +ATOM 1336 O O . ASP A 1 171 ? 17.495 -12.140 1.642 1.00 28.80 0 A 2 +ATOM 1337 C CB . ASP A 1 171 ? 14.914 -13.145 3.310 1.00 29.10 0 A 2 +ATOM 1338 C CG . ASP A 1 171 ? 14.576 -14.116 4.435 1.00 28.36 0 A 2 +ATOM 1339 O OD1 . ASP A 1 171 ? 15.318 -14.175 5.443 1.00 30.27 0 A 2 +ATOM 1340 O OD2 . ASP A 1 171 ? 13.549 -14.823 4.301 1.00 30.48 0 A 2 +ATOM 1341 N N . ALA A 1 172 ? 16.051 -10.452 2.036 1.00 24.73 0 A 2 +ATOM 1342 C CA . ALA A 1 172 ? 16.421 -9.709 0.836 1.00 29.00 0 A 2 +ATOM 1343 C C . ALA A 1 172 ? 17.714 -8.922 1.014 1.00 23.65 0 A 2 +ATOM 1344 O O . ALA A 1 172 ? 18.183 -8.263 0.081 1.00 23.50 0 A 2 +ATOM 1345 C CB . ALA A 1 172 ? 15.301 -8.771 0.442 1.00 32.03 0 A 2 +ATOM 1346 N N . PHE A 1 173 ? 18.314 -9.024 2.195 1.00 25.82 0 A 2 +ATOM 1347 C CA . PHE A 1 173 ? 19.539 -8.297 2.504 1.00 22.53 0 A 2 +ATOM 1348 C C . PHE A 1 173 ? 20.608 -9.192 3.097 1.00 18.15 0 A 2 +ATOM 1349 O O . PHE A 1 173 ? 20.811 -9.218 4.309 1.00 22.08 0 A 2 +ATOM 1350 C CB . PHE A 1 173 ? 19.204 -7.158 3.468 1.00 19.01 0 A 2 +ATOM 1351 C CG . PHE A 1 173 ? 18.113 -6.267 2.968 1.00 19.17 0 A 2 +ATOM 1352 C CD1 . PHE A 1 173 ? 18.337 -5.405 1.896 1.00 21.07 0 A 2 +ATOM 1353 C CD2 . PHE A 1 173 ? 16.842 -6.315 3.523 1.00 20.84 0 A 2 +ATOM 1354 C CE1 . PHE A 1 173 ? 17.311 -4.618 1.380 1.00 17.13 0 A 2 +ATOM 1355 C CE2 . PHE A 1 173 ? 15.802 -5.535 3.014 1.00 15.16 0 A 2 +ATOM 1356 C CZ . PHE A 1 173 ? 16.042 -4.685 1.942 1.00 20.57 0 A 2 +ATOM 1357 N N . PRO A 1 174 ? 21.341 -9.908 2.234 1.00 17.65 0 A 2 +ATOM 1358 C CA . PRO A 1 174 ? 22.417 -10.832 2.626 1.00 18.87 0 A 2 +ATOM 1359 C C . PRO A 1 174 ? 23.484 -10.234 3.541 1.00 18.32 0 A 2 +ATOM 1360 O O . PRO A 1 174 ? 23.899 -10.875 4.515 1.00 24.48 0 A 2 +ATOM 1361 C CB . PRO A 1 174 ? 23.003 -11.264 1.276 1.00 21.61 0 A 2 +ATOM 1362 C CG . PRO A 1 174 ? 22.590 -10.151 0.330 1.00 23.67 0 A 2 +ATOM 1363 C CD . PRO A 1 174 ? 21.202 -9.841 0.772 1.00 15.50 0 A 2 +ATOM 1364 N N . LEU A 1 175 ? 23.936 -9.018 3.248 1.00 20.19 0 A 2 +ATOM 1365 C CA . LEU A 1 175 ? 24.956 -8.390 4.075 1.00 16.90 0 A 2 +ATOM 1366 C C . LEU A 1 175 ? 24.413 -8.158 5.486 1.00 18.86 0 A 2 +ATOM 1367 O O . LEU A 1 175 ? 25.048 -8.553 6.468 1.00 23.56 0 A 2 +ATOM 1368 C CB . LEU A 1 175 ? 25.450 -7.096 3.429 1.00 19.46 0 A 2 +ATOM 1369 C CG . LEU A 1 175 ? 26.662 -7.171 2.478 1.00 24.93 0 A 2 +ATOM 1370 C CD1 . LEU A 1 175 ? 26.842 -8.554 1.836 1.00 16.40 0 A 2 +ATOM 1371 C CD2 . LEU A 1 175 ? 26.531 -6.091 1.418 1.00 10.60 0 A 2 +ATOM 1372 N N . LEU A 1 176 ? 23.188 -7.644 5.584 1.00 18.17 0 A 2 +ATOM 1373 C CA . LEU A 1 176 ? 22.569 -7.397 6.891 1.00 18.84 0 A 2 +ATOM 1374 C C . LEU A 1 176 ? 22.396 -8.697 7.651 1.00 17.79 0 A 2 +ATOM 1375 O O . LEU A 1 176 ? 22.736 -8.773 8.831 1.00 22.22 0 A 2 +ATOM 1376 C CB . LEU A 1 176 ? 21.214 -6.702 6.746 1.00 14.67 0 A 2 +ATOM 1377 C CG . LEU A 1 176 ? 21.288 -5.227 6.342 1.00 17.03 0 A 2 +ATOM 1378 C CD1 . LEU A 1 176 ? 19.878 -4.648 6.179 1.00 12.88 0 A 2 +ATOM 1379 C CD2 . LEU A 1 176 ? 22.089 -4.433 7.379 1.00 17.88 0 A 2 +ATOM 1380 N N . SER A 1 177 ? 21.870 -9.715 6.974 1.00 16.53 0 A 2 +ATOM 1381 C CA . SER A 1 177 ? 21.674 -11.026 7.577 1.00 17.49 0 A 2 +ATOM 1382 C C . SER A 1 177 ? 22.980 -11.556 8.139 1.00 19.10 0 A 2 +ATOM 1383 O O . SER A 1 177 ? 23.044 -11.918 9.317 1.00 24.24 0 A 2 +ATOM 1384 C CB . SER A 1 177 ? 21.141 -12.017 6.551 1.00 15.49 0 A 2 +ATOM 1385 O OG . SER A 1 177 ? 19.852 -11.639 6.137 1.00 24.92 0 A 2 +ATOM 1386 N N . ALA A 1 178 ? 24.017 -11.590 7.311 1.00 13.97 0 A 2 +ATOM 1387 C CA . ALA A 1 178 ? 25.304 -12.093 7.774 1.00 19.98 0 A 2 +ATOM 1388 C C . ALA A 1 178 ? 25.837 -11.223 8.915 1.00 15.98 0 A 2 +ATOM 1389 O O . ALA A 1 178 ? 26.418 -11.740 9.866 1.00 19.18 0 A 2 +ATOM 1390 C CB . ALA A 1 178 ? 26.295 -12.152 6.632 1.00 15.35 0 A 2 +ATOM 1391 N N . TYR A 1 179 ? 25.584 -9.922 8.827 1.00 19.34 0 A 2 +ATOM 1392 C CA . TYR A 1 179 ? 26.028 -8.958 9.830 1.00 13.77 0 A 2 +ATOM 1393 C C . TYR A 1 179 ? 25.390 -9.316 11.173 1.00 13.15 0 A 2 +ATOM 1394 O O . TYR A 1 179 ? 26.083 -9.455 12.185 1.00 19.66 0 A 2 +ATOM 1395 C CB . TYR A 1 179 ? 25.634 -7.547 9.367 1.00 16.41 0 A 2 +ATOM 1396 C CG . TYR A 1 179 ? 25.822 -6.414 10.369 1.00 14.15 0 A 2 +ATOM 1397 C CD1 . TYR A 1 179 ? 27.019 -5.700 10.437 1.00 13.75 0 A 2 +ATOM 1398 C CD2 . TYR A 1 179 ? 24.762 -5.995 11.177 1.00 14.80 0 A 2 +ATOM 1399 C CE1 . TYR A 1 179 ? 27.158 -4.582 11.279 1.00 16.00 0 A 2 +ATOM 1400 C CE2 . TYR A 1 179 ? 24.885 -4.885 12.020 1.00 22.35 0 A 2 +ATOM 1401 C CZ . TYR A 1 179 ? 26.085 -4.183 12.065 1.00 20.37 0 A 2 +ATOM 1402 O OH . TYR A 1 179 ? 26.187 -3.059 12.853 1.00 16.77 0 A 2 +ATOM 1403 N N . VAL A 1 180 ? 24.077 -9.499 11.180 1.00 14.44 0 A 2 +ATOM 1404 C CA . VAL A 1 180 ? 23.385 -9.860 12.405 1.00 13.14 0 A 2 +ATOM 1405 C C . VAL A 1 180 ? 23.962 -11.142 12.996 1.00 16.32 0 A 2 +ATOM 1406 O O . VAL A 1 180 ? 24.337 -11.170 14.160 1.00 20.10 0 A 2 +ATOM 1407 C CB . VAL A 1 180 ? 21.889 -10.022 12.163 1.00 18.70 0 A 2 +ATOM 1408 C CG1 . VAL A 1 180 ? 21.200 -10.650 13.403 1.00 19.49 0 A 2 +ATOM 1409 C CG2 . VAL A 1 180 ? 21.287 -8.669 11.850 1.00 16.72 0 A 2 +ATOM 1410 N N . GLY A 1 181 ? 24.093 -12.178 12.180 1.00 13.08 0 A 2 +ATOM 1411 C CA . GLY A 1 181 ? 24.639 -13.433 12.675 1.00 15.06 0 A 2 +ATOM 1412 C C . GLY A 1 181 ? 26.034 -13.258 13.232 1.00 15.30 0 A 2 +ATOM 1413 O O . GLY A 1 181 ? 26.316 -13.638 14.367 1.00 22.69 0 A 2 +ATOM 1414 N N . ARG A 1 182 ? 26.890 -12.609 12.461 1.00 19.09 0 A 2 +ATOM 1415 C CA . ARG A 1 182 ? 28.274 -12.383 12.856 1.00 20.34 0 A 2 +ATOM 1416 C C . ARG A 1 182 ? 28.364 -11.666 14.199 1.00 23.71 0 A 2 +ATOM 1417 O O . ARG A 1 182 ? 29.009 -12.151 15.129 1.00 29.48 0 A 2 +ATOM 1418 C CB . ARG A 1 182 ? 28.980 -11.557 11.788 1.00 20.24 0 A 2 +ATOM 1419 C CG . ARG A 1 182 ? 30.469 -11.406 11.971 1.00 24.56 0 A 2 +ATOM 1420 C CD . ARG A 1 182 ? 30.975 -10.289 11.072 1.00 28.95 0 A 2 +ATOM 1421 N NE . ARG A 1 182 ? 30.571 -10.505 9.694 1.00 29.43 0 A 2 +ATOM 1422 C CZ . ARG A 1 182 ? 29.982 -9.597 8.923 1.00 30.47 0 A 2 +ATOM 1423 N NH1 . ARG A 1 182 ? 29.734 -8.373 9.381 1.00 24.53 0 A 2 +ATOM 1424 N NH2 . ARG A 1 182 ? 29.570 -9.946 7.713 1.00 32.56 0 A 2 +ATOM 1425 N N . LEU A 1 183 ? 27.703 -10.519 14.307 1.00 21.93 0 A 2 +ATOM 1426 C CA . LEU A 1 183 ? 27.742 -9.759 15.547 1.00 20.84 0 A 2 +ATOM 1427 C C . LEU A 1 183 ? 27.140 -10.544 16.701 1.00 21.95 0 A 2 +ATOM 1428 O O . LEU A 1 183 ? 27.702 -10.584 17.804 1.00 17.73 0 A 2 +ATOM 1429 C CB . LEU A 1 183 ? 27.019 -8.427 15.379 1.00 16.60 0 A 2 +ATOM 1430 C CG . LEU A 1 183 ? 27.782 -7.361 14.603 1.00 21.30 0 A 2 +ATOM 1431 C CD1 . LEU A 1 183 ? 27.066 -6.030 14.745 1.00 16.93 0 A 2 +ATOM 1432 C CD2 . LEU A 1 183 ? 29.174 -7.230 15.158 1.00 20.76 0 A 2 +ATOM 1433 N N . SER A 1 184 ? 26.019 -11.203 16.431 1.00 20.77 0 A 2 +ATOM 1434 C CA . SER A 1 184 ? 25.341 -12.001 17.435 1.00 17.87 0 A 2 +ATOM 1435 C C . SER A 1 184 ? 26.212 -13.148 17.927 1.00 22.67 0 A 2 +ATOM 1436 O O . SER A 1 184 ? 26.005 -13.675 19.025 1.00 23.53 0 A 2 +ATOM 1437 C CB . SER A 1 184 ? 24.047 -12.544 16.859 1.00 15.77 0 A 2 +ATOM 1438 O OG . SER A 1 184 ? 23.220 -11.477 16.439 1.00 20.71 0 A 2 +ATOM 1439 N N . ALA A 1 185 ? 27.195 -13.523 17.118 1.00 20.11 0 A 2 +ATOM 1440 C CA . ALA A 1 185 ? 28.096 -14.614 17.467 1.00 24.80 0 A 2 +ATOM 1441 C C . ALA A 1 185 ? 29.245 -14.197 18.376 1.00 23.83 0 A 2 +ATOM 1442 O O . ALA A 1 185 ? 29.929 -15.056 18.940 1.00 25.96 0 A 2 +ATOM 1443 C CB . ALA A 1 185 ? 28.638 -15.289 16.194 1.00 20.49 0 A 2 +ATOM 1444 N N . ARG A 1 186 ? 29.480 -12.897 18.509 1.00 24.54 0 A 2 +ATOM 1445 C CA . ARG A 1 186 ? 30.559 -12.422 19.380 1.00 23.60 0 A 2 +ATOM 1446 C C . ARG A 1 186 ? 30.321 -12.996 20.780 1.00 25.71 0 A 2 +ATOM 1447 O O . ARG A 1 186 ? 29.301 -12.715 21.410 1.00 26.85 0 A 2 +ATOM 1448 C CB . ARG A 1 186 ? 30.606 -10.900 19.384 1.00 20.03 0 A 2 +ATOM 1449 C CG . ARG A 1 186 ? 30.998 -10.328 18.026 1.00 23.55 0 A 2 +ATOM 1450 C CD . ARG A 1 186 ? 30.688 -8.840 17.921 1.00 23.99 0 A 2 +ATOM 1451 N NE . ARG A 1 186 ? 31.514 -8.017 18.798 1.00 26.93 0 A 2 +ATOM 1452 C CZ . ARG A 1 186 ? 32.681 -7.475 18.459 1.00 24.96 0 A 2 +ATOM 1453 N NH1 . ARG A 1 186 ? 33.221 -7.708 17.269 1.00 14.84 0 A 2 +ATOM 1454 N NH2 . ARG A 1 186 ? 33.339 -6.730 19.338 1.00 20.88 0 A 2 +ATOM 1455 N N . PRO A 1 187 ? 31.282 -13.780 21.299 1.00 29.00 0 A 2 +ATOM 1456 C CA . PRO A 1 187 ? 31.231 -14.433 22.617 1.00 25.00 0 A 2 +ATOM 1457 C C . PRO A 1 187 ? 30.444 -13.737 23.730 1.00 21.43 0 A 2 +ATOM 1458 O O . PRO A 1 187 ? 29.394 -14.224 24.131 1.00 27.36 0 A 2 +ATOM 1459 C CB . PRO A 1 187 ? 32.706 -14.616 22.963 1.00 28.54 0 A 2 +ATOM 1460 C CG . PRO A 1 187 ? 33.302 -14.915 21.635 1.00 25.97 0 A 2 +ATOM 1461 C CD . PRO A 1 187 ? 32.652 -13.875 20.742 1.00 29.13 0 A 2 +ATOM 1462 N N . LYS A 1 188 ? 30.945 -12.600 24.214 1.00 21.27 0 A 2 +ATOM 1463 C CA . LYS A 1 188 ? 30.283 -11.865 25.289 1.00 17.31 0 A 2 +ATOM 1464 C C . LYS A 1 188 ? 28.866 -11.448 24.923 1.00 11.65 0 A 2 +ATOM 1465 O O . LYS A 1 188 ? 27.959 -11.550 25.752 1.00 15.31 0 A 2 +ATOM 1466 C CB . LYS A 1 188 ? 31.118 -10.649 25.710 1.00 17.22 0 A 2 +ATOM 1467 C CG . LYS A 1 188 ? 32.447 -11.020 26.358 1.00 22.48 0 A 2 +ATOM 1468 C CD . LYS A 1 188 ? 33.248 -9.794 26.787 1.00 26.92 0 A 2 +ATOM 1469 C CE . LYS A 1 188 ? 34.691 -10.171 27.127 1.00 28.00 0 A 2 +ATOM 1470 N NZ . LYS A 1 188 ? 34.777 -11.159 28.242 1.00 40.95 0 A 2 +ATOM 1471 N N . LEU A 1 189 ? 28.666 -11.048 23.668 1.00 17.09 0 A 2 +ATOM 1472 C CA . LEU A 1 189 ? 27.356 -10.616 23.195 1.00 17.37 0 A 2 +ATOM 1473 C C . LEU A 1 189 ? 26.396 -11.795 23.161 1.00 18.18 0 A 2 +ATOM 1474 O O . LEU A 1 189 ? 25.275 -11.701 23.668 1.00 18.77 0 A 2 +ATOM 1475 C CB . LEU A 1 189 ? 27.442 -9.997 21.796 1.00 17.30 0 A 2 +ATOM 1476 C CG . LEU A 1 189 ? 26.709 -8.656 21.593 1.00 24.75 0 A 2 +ATOM 1477 C CD1 . LEU A 1 189 ? 26.519 -8.380 20.107 1.00 17.09 0 A 2 +ATOM 1478 C CD2 . LEU A 1 189 ? 25.366 -8.610 22.325 1.00 13.56 0 A 2 +ATOM 1479 N N . LYS A 1 190 ? 26.858 -12.906 22.589 1.00 19.19 0 A 2 +ATOM 1480 C CA . LYS A 1 190 ? 26.065 -14.130 22.476 1.00 16.19 0 A 2 +ATOM 1481 C C . LYS A 1 190 ? 25.554 -14.528 23.849 1.00 12.05 0 A 2 +ATOM 1482 O O . LYS A 1 190 ? 24.348 -14.649 24.064 1.00 18.11 0 A 2 +ATOM 1483 C CB . LYS A 1 190 ? 26.924 -15.250 21.899 1.00 20.88 0 A 2 +ATOM 1484 C CG . LYS A 1 190 ? 26.188 -16.546 21.638 1.00 21.24 0 A 2 +ATOM 1485 C CD . LYS A 1 190 ? 27.095 -17.505 20.877 1.00 29.87 0 A 2 +ATOM 1486 C CE . LYS A 1 190 ? 26.488 -18.893 20.772 1.00 33.81 0 A 2 +ATOM 1487 N NZ . LYS A 1 190 ? 27.308 -19.800 19.928 1.00 40.95 0 A 2 +ATOM 1488 N N . ALA A 1 191 ? 26.471 -14.653 24.798 1.00 15.48 0 A 2 +ATOM 1489 C CA . ALA A 1 191 ? 26.106 -15.025 26.164 1.00 18.01 0 A 2 +ATOM 1490 C C . ALA A 1 191 ? 25.074 -14.043 26.733 1.00 19.74 0 A 2 +ATOM 1491 O O . ALA A 1 191 ? 24.095 -14.456 27.346 1.00 25.31 0 A 2 +ATOM 1492 C CB . ALA A 1 191 ? 27.352 -15.068 27.051 1.00 11.01 0 A 2 +ATOM 1493 N N . PHE A 1 192 ? 25.271 -12.751 26.492 1.00 22.61 0 A 2 +ATOM 1494 C CA . PHE A 1 192 ? 24.335 -11.749 26.992 1.00 16.07 0 A 2 +ATOM 1495 C C . PHE A 1 192 ? 22.971 -11.944 26.361 1.00 13.15 0 A 2 +ATOM 1496 O O . PHE A 1 192 ? 21.963 -12.058 27.054 1.00 18.82 0 A 2 +ATOM 1497 C CB . PHE A 1 192 ? 24.833 -10.332 26.683 1.00 17.26 0 A 2 +ATOM 1498 C CG . PHE A 1 192 ? 23.855 -9.250 27.049 1.00 15.92 0 A 2 +ATOM 1499 C CD1 . PHE A 1 192 ? 23.535 -9.009 28.380 1.00 13.23 0 A 2 +ATOM 1500 C CD2 . PHE A 1 192 ? 23.253 -8.467 26.068 1.00 15.55 0 A 2 +ATOM 1501 C CE1 . PHE A 1 192 ? 22.644 -7.997 28.727 1.00 13.95 0 A 2 +ATOM 1502 C CE2 . PHE A 1 192 ? 22.354 -7.450 26.404 1.00 15.72 0 A 2 +ATOM 1503 C CZ . PHE A 1 192 ? 22.048 -7.217 27.734 1.00 11.02 0 A 2 +ATOM 1504 N N . LEU A 1 193 ? 22.948 -12.036 25.040 1.00 12.91 0 A 2 +ATOM 1505 C CA . LEU A 1 193 ? 21.699 -12.182 24.319 1.00 13.04 0 A 2 +ATOM 1506 C C . LEU A 1 193 ? 20.911 -13.410 24.715 1.00 15.69 0 A 2 +ATOM 1507 O O . LEU A 1 193 ? 19.687 -13.447 24.578 1.00 18.53 0 A 2 +ATOM 1508 C CB . LEU A 1 193 ? 21.972 -12.206 22.829 1.00 9.91 0 A 2 +ATOM 1509 C CG . LEU A 1 193 ? 22.419 -10.874 22.238 1.00 12.89 0 A 2 +ATOM 1510 C CD1 . LEU A 1 193 ? 22.896 -11.091 20.800 1.00 9.28 0 A 2 +ATOM 1511 C CD2 . LEU A 1 193 ? 21.274 -9.873 22.312 1.00 7.61 0 A 2 +ATOM 1512 N N . ALA A 1 194 ? 21.618 -14.430 25.165 1.00 17.81 0 A 2 +ATOM 1513 C CA . ALA A 1 194 ? 20.977 -15.670 25.555 1.00 16.79 0 A 2 +ATOM 1514 C C . ALA A 1 194 ? 20.622 -15.654 27.039 1.00 21.07 0 A 2 +ATOM 1515 O O . ALA A 1 194 ? 19.842 -16.492 27.502 1.00 22.26 0 A 2 +ATOM 1516 C CB . ALA A 1 194 ? 21.892 -16.854 25.232 1.00 13.98 0 A 2 +ATOM 1517 N N . SER A 1 195 ? 21.139 -14.670 27.773 1.00 20.79 0 A 2 +ATOM 1518 C CA . SER A 1 195 ? 20.885 -14.590 29.207 1.00 17.94 0 A 2 +ATOM 1519 C C . SER A 1 195 ? 19.461 -14.142 29.544 1.00 20.92 0 A 2 +ATOM 1520 O O . SER A 1 195 ? 18.826 -13.395 28.783 1.00 22.44 0 A 2 +ATOM 1521 C CB . SER A 1 195 ? 21.909 -13.668 29.886 1.00 14.00 0 A 2 +ATOM 1522 O OG . SER A 1 195 ? 21.539 -12.302 29.764 1.00 19.24 0 A 2 +ATOM 1523 N N . PRO A 1 196 ? 18.940 -14.595 30.701 1.00 22.11 0 A 2 +ATOM 1524 C CA . PRO A 1 196 ? 17.593 -14.269 31.190 1.00 21.05 0 A 2 +ATOM 1525 C C . PRO A 1 196 ? 17.412 -12.760 31.316 1.00 24.02 0 A 2 +ATOM 1526 O O . PRO A 1 196 ? 16.309 -12.238 31.143 1.00 24.92 0 A 2 +ATOM 1527 C CB . PRO A 1 196 ? 17.576 -14.910 32.579 1.00 20.75 0 A 2 +ATOM 1528 C CG . PRO A 1 196 ? 18.499 -16.068 32.429 1.00 18.33 0 A 2 +ATOM 1529 C CD . PRO A 1 196 ? 19.637 -15.495 31.644 1.00 14.63 0 A 2 +ATOM 1530 N N . GLU A 1 197 ? 18.514 -12.088 31.631 1.00 18.45 0 A 2 +ATOM 1531 C CA . GLU A 1 197 ? 18.587 -10.645 31.801 1.00 23.07 0 A 2 +ATOM 1532 C C . GLU A 1 197 ? 18.090 -9.905 30.554 1.00 23.66 0 A 2 +ATOM 1533 O O . GLU A 1 197 ? 17.558 -8.800 30.639 1.00 14.04 0 A 2 +ATOM 1534 C CB . GLU A 1 197 ? 20.038 -10.294 32.063 1.00 25.47 0 A 2 +ATOM 1535 C CG . GLU A 1 197 ? 20.292 -8.901 32.497 1.00 29.12 0 A 2 +ATOM 1536 C CD . GLU A 1 197 ? 21.764 -8.662 32.728 1.00 27.91 0 A 2 +ATOM 1537 O OE1 . GLU A 1 197 ? 22.442 -9.570 33.260 1.00 28.23 0 A 2 +ATOM 1538 O OE2 . GLU A 1 197 ? 22.243 -7.567 32.381 1.00 28.98 0 A 2 +ATOM 1539 N N . TYR A 1 198 ? 18.299 -10.521 29.400 1.00 26.34 0 A 2 +ATOM 1540 C CA . TYR A 1 198 ? 17.872 -9.964 28.129 1.00 19.93 0 A 2 +ATOM 1541 C C . TYR A 1 198 ? 16.616 -10.681 27.663 1.00 16.88 0 A 2 +ATOM 1542 O O . TYR A 1 198 ? 15.582 -10.062 27.452 1.00 16.68 0 A 2 +ATOM 1543 C CB . TYR A 1 198 ? 18.990 -10.138 27.086 1.00 15.44 0 A 2 +ATOM 1544 C CG . TYR A 1 198 ? 18.596 -9.741 25.686 1.00 13.26 0 A 2 +ATOM 1545 C CD1 . TYR A 1 198 ? 18.703 -8.426 25.261 1.00 7.00 0 A 2 +ATOM 1546 C CD2 . TYR A 1 198 ? 18.112 -10.694 24.777 1.00 22.20 0 A 2 +ATOM 1547 C CE1 . TYR A 1 198 ? 18.342 -8.050 23.963 1.00 17.77 0 A 2 +ATOM 1548 C CE2 . TYR A 1 198 ? 17.744 -10.331 23.473 1.00 22.62 0 A 2 +ATOM 1549 C CZ . TYR A 1 198 ? 17.864 -9.007 23.079 1.00 21.82 0 A 2 +ATOM 1550 O OH . TYR A 1 198 ? 17.495 -8.633 21.813 1.00 21.68 0 A 2 +ATOM 1551 N N . VAL A 1 199 ? 16.722 -11.998 27.542 1.00 19.25 0 A 2 +ATOM 1552 C CA . VAL A 1 199 ? 15.634 -12.848 27.059 1.00 21.89 0 A 2 +ATOM 1553 C C . VAL A 1 199 ? 14.297 -12.699 27.768 1.00 23.26 0 A 2 +ATOM 1554 O O . VAL A 1 199 ? 13.241 -12.758 27.141 1.00 21.82 0 A 2 +ATOM 1555 C CB . VAL A 1 199 ? 16.041 -14.343 27.093 1.00 21.45 0 A 2 +ATOM 1556 C CG1 . VAL A 1 199 ? 14.866 -15.220 26.707 1.00 20.93 0 A 2 +ATOM 1557 C CG2 . VAL A 1 199 ? 17.204 -14.600 26.142 1.00 19.98 0 A 2 +ATOM 1558 N N . ASN A 1 200 ? 14.325 -12.490 29.075 1.00 23.60 0 A 2 +ATOM 1559 C CA . ASN A 1 200 ? 13.079 -12.387 29.799 1.00 20.85 0 A 2 +ATOM 1560 C C . ASN A 1 200 ? 12.474 -10.999 29.902 1.00 21.30 0 A 2 +ATOM 1561 O O . ASN A 1 200 ? 11.513 -10.779 30.633 1.00 24.67 0 A 2 +ATOM 1562 C CB . ASN A 1 200 ? 13.221 -13.064 31.153 1.00 19.44 0 A 2 +ATOM 1563 C CG . ASN A 1 200 ? 13.474 -14.540 31.017 1.00 22.46 0 A 2 +ATOM 1564 N ND2 . ASN A 1 200 ? 14.214 -15.106 31.957 1.00 21.29 0 A 2 +ATOM 1565 O OD1 . ASN A 1 200 ? 13.044 -15.164 30.047 1.00 31.52 0 A 2 +ATOM 1566 N N . LEU A 1 201 ? 13.019 -10.069 29.135 1.00 20.16 0 A 2 +ATOM 1567 C CA . LEU A 1 201 ? 12.510 -8.707 29.117 1.00 15.39 0 A 2 +ATOM 1568 C C . LEU A 1 201 ? 11.703 -8.528 27.838 1.00 14.41 0 A 2 +ATOM 1569 O O . LEU A 1 201 ? 12.125 -8.969 26.768 1.00 17.44 0 A 2 +ATOM 1570 C CB . LEU A 1 201 ? 13.687 -7.729 29.104 1.00 16.42 0 A 2 +ATOM 1571 C CG . LEU A 1 201 ? 13.779 -6.702 30.222 1.00 18.28 0 A 2 +ATOM 1572 C CD1 . LEU A 1 201 ? 13.738 -7.389 31.592 1.00 16.60 0 A 2 +ATOM 1573 C CD2 . LEU A 1 201 ? 15.051 -5.902 30.064 1.00 11.18 0 A 2 +ATOM 1574 N N . PRO A 1 202 ? 10.500 -7.963 27.928 1.00 13.08 0 A 2 +ATOM 1575 C CA . PRO A 1 202 ? 9.747 -7.784 26.690 1.00 10.35 0 A 2 +ATOM 1576 C C . PRO A 1 202 ? 10.451 -6.685 25.892 1.00 12.51 0 A 2 +ATOM 1577 O O . PRO A 1 202 ? 11.110 -5.818 26.472 1.00 12.21 0 A 2 +ATOM 1578 C CB . PRO A 1 202 ? 8.382 -7.316 27.174 1.00 10.74 0 A 2 +ATOM 1579 C CG . PRO A 1 202 ? 8.716 -6.554 28.422 1.00 15.14 0 A 2 +ATOM 1580 C CD . PRO A 1 202 ? 9.755 -7.433 29.092 1.00 15.53 0 A 2 +ATOM 1581 N N . ILE A 1 203 ? 10.331 -6.733 24.570 1.00 14.64 0 A 2 +ATOM 1582 C CA . ILE A 1 203 ? 10.964 -5.731 23.718 1.00 18.09 0 A 2 +ATOM 1583 C C . ILE A 1 203 ? 10.401 -4.357 24.000 1.00 16.91 0 A 2 +ATOM 1584 O O . ILE A 1 203 ? 11.154 -3.392 24.177 1.00 22.08 0 A 2 +ATOM 1585 C CB . ILE A 1 203 ? 10.789 -6.064 22.229 1.00 12.61 0 A 2 +ATOM 1586 C CG1 . ILE A 1 203 ? 11.528 -7.367 21.922 1.00 14.04 0 A 2 +ATOM 1587 C CG2 . ILE A 1 203 ? 11.315 -4.934 21.382 1.00 12.72 0 A 2 +ATOM 1588 C CD1 . ILE A 1 203 ? 11.337 -7.892 20.519 1.00 7.30 0 A 2 +ATOM 1589 N N . ASN A 1 204 ? 9.076 -4.285 24.074 1.00 22.33 0 A 2 +ATOM 1590 C CA . ASN A 1 204 ? 8.374 -3.040 24.348 1.00 21.65 0 A 2 +ATOM 1591 C C . ASN A 1 204 ? 7.518 -3.158 25.621 1.00 19.86 0 A 2 +ATOM 1592 O O . ASN A 1 204 ? 7.292 -4.251 26.151 1.00 18.10 0 A 2 +ATOM 1593 C CB . ASN A 1 204 ? 7.506 -2.651 23.142 1.00 17.02 0 A 2 +ATOM 1594 C CG . ASN A 1 204 ? 8.291 -2.575 21.855 1.00 11.05 0 A 2 +ATOM 1595 N ND2 . ASN A 1 204 ? 9.275 -1.706 21.818 1.00 13.89 0 A 2 +ATOM 1596 O OD1 . ASN A 1 204 ? 8.041 -3.316 20.911 1.00 18.08 0 A 2 +ATOM 1597 N N . GLY A 1 205 ? 7.046 -2.018 26.098 1.00 23.47 0 A 2 +ATOM 1598 C CA . GLY A 1 205 ? 6.230 -1.990 27.296 1.00 24.35 0 A 2 +ATOM 1599 C C . GLY A 1 205 ? 4.742 -2.208 27.109 1.00 25.35 0 A 2 +ATOM 1600 O O . GLY A 1 205 ? 4.019 -2.301 28.101 1.00 27.32 0 A 2 +ATOM 1601 N N . ASN A 1 206 ? 4.248 -2.257 25.875 1.00 21.34 0 A 2 +ATOM 1602 C CA . ASN A 1 206 ? 2.817 -2.474 25.690 1.00 26.45 0 A 2 +ATOM 1603 C C . ASN A 1 206 ? 2.508 -3.898 25.249 1.00 25.96 0 A 2 +ATOM 1604 O O . ASN A 1 206 ? 1.374 -4.219 24.912 1.00 23.62 0 A 2 +ATOM 1605 C CB . ASN A 1 206 ? 2.216 -1.454 24.714 1.00 22.52 0 A 2 +ATOM 1606 C CG . ASN A 1 206 ? 2.664 -1.675 23.296 1.00 26.83 0 A 2 +ATOM 1607 N ND2 . ASN A 1 206 ? 1.976 -1.048 22.347 1.00 21.32 0 A 2 +ATOM 1608 O OD1 . ASN A 1 206 ? 3.631 -2.402 23.049 1.00 27.57 0 A 2 +ATOM 1609 N N . GLY A 1 207 ? 3.527 -4.748 25.253 1.00 31.10 0 A 2 +ATOM 1610 C CA . GLY A 1 207 ? 3.324 -6.124 24.856 1.00 33.70 0 A 2 +ATOM 1611 C C . GLY A 1 207 ? 3.229 -6.356 23.357 1.00 37.56 0 A 2 +ATOM 1612 O O . GLY A 1 207 ? 2.916 -7.469 22.927 1.00 41.24 0 A 2 +ATOM 1613 N N . LYS A 1 208 ? 3.493 -5.326 22.558 1.00 31.03 0 A 2 +ATOM 1614 C CA . LYS A 1 208 ? 3.437 -5.476 21.112 1.00 26.00 0 A 2 +ATOM 1615 C C . LYS A 1 208 ? 4.863 -5.525 20.592 1.00 27.27 0 A 2 +ATOM 1616 O O . LYS A 1 208 ? 5.755 -4.881 21.144 1.00 28.52 0 A 2 +ATOM 1617 C CB . LYS A 1 208 ? 2.654 -4.323 20.487 1.00 25.43 0 A 2 +ATOM 1618 C CG . LYS A 1 208 ? 1.175 -4.330 20.892 1.00 28.43 0 A 2 +ATOM 1619 C CD . LYS A 1 208 ? 0.390 -3.174 20.274 1.00 34.32 0 A 2 +ATOM 1620 C CE . LYS A 1 208 ? -1.119 -3.345 20.491 1.00 37.63 0 A 2 +ATOM 1621 N NZ . LYS A 1 208 ? -1.900 -2.178 19.981 1.00 33.62 0 A 2 +ATOM 1622 N N . GLN A 1 209 ? 5.095 -6.344 19.571 1.00 28.60 0 A 2 +ATOM 1623 C CA . GLN A 1 209 ? 6.426 -6.499 18.986 1.00 22.79 0 A 2 +ATOM 1624 C C . GLN A 1 209 ? 6.257 -7.097 17.588 1.00 23.91 0 A 2 +ATOM 1625 O O . GLN A 1 209 ? 7.278 -7.333 16.911 1.00 22.09 0 A 2 +ATOM 1626 C CB . GLN A 1 209 ? 7.263 -7.449 19.841 1.00 17.68 0 A 2 +ATOM 1627 C CG . GLN A 1 209 ? 6.595 -8.793 20.066 1.00 18.20 0 A 2 +ATOM 1628 C CD . GLN A 1 209 ? 7.527 -9.829 20.630 1.00 24.76 0 A 2 +ATOM 1629 N NE2 . GLN A 1 209 ? 7.438 -11.037 20.108 1.00 26.25 0 A 2 +ATOM 1630 O OE1 . GLN A 1 209 ? 8.327 -9.549 21.522 1.00 35.06 0 A 2 +ATOM 1631 O OXT . GLN A 1 209 ? 5.097 -7.352 17.201 1.00 24.47 0 A 2 +ATOM 1632 N N . PRO B 1 2 ? 35.615 23.269 0.086 1.00 43.81 0 B 2 +ATOM 1633 C CA . PRO B 1 2 ? 35.208 23.840 1.387 1.00 35.84 0 B 2 +ATOM 1634 C C . PRO B 1 2 ? 33.914 23.122 1.716 1.00 28.81 0 B 2 +ATOM 1635 O O . PRO B 1 2 ? 33.829 21.898 1.556 1.00 26.75 0 B 2 +ATOM 1636 C CB . PRO B 1 2 ? 34.975 25.321 1.133 1.00 42.67 0 B 2 +ATOM 1637 C CG . PRO B 1 2 ? 34.427 25.294 -0.289 1.00 47.29 0 B 2 +ATOM 1638 C CD . PRO B 1 2 ? 35.291 24.213 -0.990 1.00 48.49 0 B 2 +ATOM 1639 N N . TYR B 1 3 ? 32.900 23.865 2.129 1.00 19.91 0 B 2 +ATOM 1640 C CA . TYR B 1 3 ? 31.625 23.268 2.475 1.00 21.23 0 B 2 +ATOM 1641 C C . TYR B 1 3 ? 30.567 23.589 1.453 1.00 17.17 0 B 2 +ATOM 1642 O O . TYR B 1 3 ? 30.577 24.655 0.839 1.00 22.49 0 B 2 +ATOM 1643 C CB . TYR B 1 3 ? 31.132 23.797 3.815 1.00 18.07 0 B 2 +ATOM 1644 C CG . TYR B 1 3 ? 32.116 23.631 4.932 1.00 15.63 0 B 2 +ATOM 1645 C CD1 . TYR B 1 3 ? 32.491 22.356 5.379 1.00 16.43 0 B 2 +ATOM 1646 C CD2 . TYR B 1 3 ? 32.628 24.739 5.586 1.00 13.07 0 B 2 +ATOM 1647 C CE1 . TYR B 1 3 ? 33.351 22.203 6.456 1.00 15.65 0 B 2 +ATOM 1648 C CE2 . TYR B 1 3 ? 33.490 24.603 6.667 1.00 17.20 0 B 2 +ATOM 1649 C CZ . TYR B 1 3 ? 33.848 23.334 7.095 1.00 20.15 0 B 2 +ATOM 1650 O OH . TYR B 1 3 ? 34.708 23.178 8.155 1.00 22.06 0 B 2 +ATOM 1651 N N . THR B 1 4 ? 29.586 22.708 1.368 1.00 18.06 0 B 2 +ATOM 1652 C CA . THR B 1 4 ? 28.490 22.883 0.451 1.00 17.66 0 B 2 +ATOM 1653 C C . THR B 1 4 ? 27.259 22.248 1.078 1.00 19.05 0 B 2 +ATOM 1654 O O . THR B 1 4 ? 27.290 21.082 1.492 1.00 14.17 0 B 2 +ATOM 1655 C CB . THR B 1 4 ? 28.791 22.186 -0.888 1.00 22.48 0 B 2 +ATOM 1656 C CG2 . THR B 1 4 ? 27.604 22.323 -1.867 1.00 20.92 0 B 2 +ATOM 1657 O OG1 . THR B 1 4 ? 29.969 22.765 -1.462 1.00 27.68 0 B 2 +ATOM 1658 N N . VAL B 1 5 ? 26.203 23.037 1.243 1.00 21.39 0 B 2 +ATOM 1659 C CA . VAL B 1 5 ? 24.975 22.481 1.785 1.00 18.92 0 B 2 +ATOM 1660 C C . VAL B 1 5 ? 23.946 22.418 0.665 1.00 20.91 0 B 2 +ATOM 1661 O O . VAL B 1 5 ? 23.740 23.384 -0.076 1.00 22.15 0 B 2 +ATOM 1662 C CB . VAL B 1 5 ? 24.446 23.232 3.061 1.00 18.75 0 B 2 +ATOM 1663 C CG1 . VAL B 1 5 ? 25.461 24.252 3.563 1.00 12.77 0 B 2 +ATOM 1664 C CG2 . VAL B 1 5 ? 23.101 23.840 2.831 1.00 10.34 0 B 2 +ATOM 1665 N N . VAL B 1 6 ? 23.391 21.227 0.486 1.00 19.15 0 B 2 +ATOM 1666 C CA . VAL B 1 6 ? 22.400 20.973 -0.543 1.00 15.04 0 B 2 +ATOM 1667 C C . VAL B 1 6 ? 21.069 20.805 0.156 1.00 13.80 0 B 2 +ATOM 1668 O O . VAL B 1 6 ? 20.892 19.887 0.954 1.00 16.24 0 B 2 +ATOM 1669 C CB . VAL B 1 6 ? 22.744 19.699 -1.294 1.00 14.53 0 B 2 +ATOM 1670 C CG1 . VAL B 1 6 ? 21.741 19.464 -2.411 1.00 15.40 0 B 2 +ATOM 1671 C CG2 . VAL B 1 6 ? 24.182 19.786 -1.814 1.00 7.93 0 B 2 +ATOM 1672 N N . TYR B 1 7 ? 20.124 21.679 -0.152 1.00 11.33 0 B 2 +ATOM 1673 C CA . TYR B 1 7 ? 18.841 21.625 0.519 1.00 10.01 0 B 2 +ATOM 1674 C C . TYR B 1 7 ? 17.819 22.385 -0.294 1.00 14.20 0 B 2 +ATOM 1675 O O . TYR B 1 7 ? 18.128 22.926 -1.361 1.00 18.71 0 B 2 +ATOM 1676 C CB . TYR B 1 7 ? 19.007 22.316 1.869 1.00 10.80 0 B 2 +ATOM 1677 C CG . TYR B 1 7 ? 17.912 22.074 2.863 1.00 15.46 0 B 2 +ATOM 1678 C CD1 . TYR B 1 7 ? 17.612 20.790 3.296 1.00 15.32 0 B 2 +ATOM 1679 C CD2 . TYR B 1 7 ? 17.240 23.142 3.458 1.00 14.77 0 B 2 +ATOM 1680 C CE1 . TYR B 1 7 ? 16.676 20.570 4.295 1.00 11.99 0 B 2 +ATOM 1681 C CE2 . TYR B 1 7 ? 16.296 22.933 4.459 1.00 14.74 0 B 2 +ATOM 1682 C CZ . TYR B 1 7 ? 16.029 21.641 4.870 1.00 13.25 0 B 2 +ATOM 1683 O OH . TYR B 1 7 ? 15.098 21.430 5.851 1.00 11.16 0 B 2 +ATOM 1684 N N . PHE B 1 8 ? 16.590 22.393 0.208 1.00 18.11 0 B 2 +ATOM 1685 C CA . PHE B 1 8 ? 15.488 23.108 -0.419 1.00 20.72 0 B 2 +ATOM 1686 C C . PHE B 1 8 ? 15.583 24.572 0.000 1.00 21.52 0 B 2 +ATOM 1687 O O . PHE B 1 8 ? 16.346 24.917 0.909 1.00 20.79 0 B 2 +ATOM 1688 C CB . PHE B 1 8 ? 14.151 22.557 0.078 1.00 21.53 0 B 2 +ATOM 1689 C CG . PHE B 1 8 ? 14.013 21.085 -0.101 1.00 28.44 0 B 2 +ATOM 1690 C CD1 . PHE B 1 8 ? 13.751 20.544 -1.359 1.00 24.39 0 B 2 +ATOM 1691 C CD2 . PHE B 1 8 ? 14.171 20.231 0.984 1.00 27.57 0 B 2 +ATOM 1692 C CE1 . PHE B 1 8 ? 13.651 19.170 -1.534 1.00 26.63 0 B 2 +ATOM 1693 C CE2 . PHE B 1 8 ? 14.073 18.856 0.823 1.00 30.65 0 B 2 +ATOM 1694 C CZ . PHE B 1 8 ? 13.814 18.321 -0.441 1.00 32.00 0 B 2 +ATOM 1695 N N . PRO B 1 9 ? 14.820 25.458 -0.648 1.00 21.54 0 B 2 +ATOM 1696 C CA . PRO B 1 9 ? 14.901 26.869 -0.263 1.00 19.80 0 B 2 +ATOM 1697 C C . PRO B 1 9 ? 14.032 27.195 0.963 1.00 20.15 0 B 2 +ATOM 1698 O O . PRO B 1 9 ? 13.036 27.930 0.865 1.00 20.07 0 B 2 +ATOM 1699 C CB . PRO B 1 9 ? 14.424 27.589 -1.515 1.00 23.28 0 B 2 +ATOM 1700 C CG . PRO B 1 9 ? 13.336 26.648 -2.013 1.00 24.91 0 B 2 +ATOM 1701 C CD . PRO B 1 9 ? 13.991 25.283 -1.864 1.00 20.14 0 B 2 +ATOM 1702 N N . VAL B 1 10 ? 14.407 26.628 2.105 1.00 24.02 0 B 2 +ATOM 1703 C CA . VAL B 1 10 ? 13.715 26.842 3.381 1.00 20.78 0 B 2 +ATOM 1704 C C . VAL B 1 10 ? 14.797 26.743 4.458 1.00 21.86 0 B 2 +ATOM 1705 O O . VAL B 1 10 ? 15.868 26.170 4.219 1.00 21.71 0 B 2 +ATOM 1706 C CB . VAL B 1 10 ? 12.645 25.754 3.675 1.00 20.30 0 B 2 +ATOM 1707 C CG1 . VAL B 1 10 ? 11.716 25.568 2.483 1.00 21.54 0 B 2 +ATOM 1708 C CG2 . VAL B 1 10 ? 13.304 24.435 4.020 1.00 25.11 0 B 2 +ATOM 1709 N N . ARG B 1 11 ? 14.535 27.302 5.632 1.00 14.84 0 B 2 +ATOM 1710 C CA . ARG B 1 11 ? 15.518 27.236 6.700 1.00 19.38 0 B 2 +ATOM 1711 C C . ARG B 1 11 ? 15.538 25.803 7.221 1.00 16.20 0 B 2 +ATOM 1712 O O . ARG B 1 11 ? 16.562 25.106 7.133 1.00 14.67 0 B 2 +ATOM 1713 C CB . ARG B 1 11 ? 15.170 28.242 7.800 1.00 15.30 0 B 2 +ATOM 1714 C CG . ARG B 1 11 ? 15.108 29.654 7.281 1.00 13.72 0 B 2 +ATOM 1715 C CD . ARG B 1 11 ? 14.822 30.669 8.365 1.00 17.28 0 B 2 +ATOM 1716 N NE . ARG B 1 11 ? 14.541 31.959 7.760 1.00 18.48 0 B 2 +ATOM 1717 C CZ . ARG B 1 11 ? 13.823 32.919 8.326 1.00 13.13 0 B 2 +ATOM 1718 N NH1 . ARG B 1 11 ? 13.308 32.737 9.531 1.00 17.59 0 B 2 +ATOM 1719 N NH2 . ARG B 1 11 ? 13.587 34.037 7.668 1.00 19.79 0 B 2 +ATOM 1720 N N . GLY B 1 12 ? 14.385 25.375 7.726 1.00 14.97 0 B 2 +ATOM 1721 C CA . GLY B 1 12 ? 14.221 24.028 8.238 1.00 16.27 0 B 2 +ATOM 1722 C C . GLY B 1 12 ? 15.431 23.469 8.963 1.00 16.27 0 B 2 +ATOM 1723 O O . GLY B 1 12 ? 16.058 24.156 9.766 1.00 18.48 0 B 2 +ATOM 1724 N N . ARG B 1 13 ? 15.838 22.264 8.584 1.00 13.50 0 B 2 +ATOM 1725 C CA . ARG B 1 13 ? 16.949 21.586 9.237 1.00 13.12 0 B 2 +ATOM 1726 C C . ARG B 1 13 ? 18.342 22.079 8.893 1.00 14.05 0 B 2 +ATOM 1727 O O . ARG B 1 13 ? 19.334 21.477 9.307 1.00 13.51 0 B 2 +ATOM 1728 C CB . ARG B 1 13 ? 16.832 20.082 9.010 1.00 9.15 0 B 2 +ATOM 1729 C CG . ARG B 1 13 ? 15.657 19.489 9.744 1.00 4.44 0 B 2 +ATOM 1730 C CD . ARG B 1 13 ? 15.613 17.987 9.611 1.00 12.73 0 B 2 +ATOM 1731 N NE . ARG B 1 13 ? 14.735 17.368 10.611 1.00 19.02 0 B 2 +ATOM 1732 C CZ . ARG B 1 13 ? 15.111 17.047 11.850 1.00 12.00 0 B 2 +ATOM 1733 N NH1 . ARG B 1 13 ? 16.348 17.286 12.266 1.00 10.75 0 B 2 +ATOM 1734 N NH2 . ARG B 1 13 ? 14.247 16.485 12.680 1.00 13.35 0 B 2 +ATOM 1735 N N . CYS B 1 14 ? 18.437 23.169 8.147 1.00 10.29 0 B 2 +ATOM 1736 C CA . CYS B 1 14 ? 19.755 23.699 7.802 1.00 15.69 0 B 2 +ATOM 1737 C C . CYS B 1 14 ? 20.037 25.015 8.515 1.00 10.57 0 B 2 +ATOM 1738 O O . CYS B 1 14 ? 21.192 25.438 8.628 1.00 17.13 0 B 2 +ATOM 1739 C CB . CYS B 1 14 ? 19.877 23.892 6.285 1.00 14.82 0 B 2 +ATOM 1740 S SG . CYS B 1 14 ? 19.860 22.369 5.331 1.00 19.67 0 B 2 +ATOM 1741 N N . ALA B 1 15 ? 18.990 25.622 9.061 1.00 13.71 0 B 2 +ATOM 1742 C CA . ALA B 1 15 ? 19.094 26.900 9.739 1.00 13.88 0 B 2 +ATOM 1743 C C . ALA B 1 15 ? 20.205 26.939 10.774 1.00 11.11 0 B 2 +ATOM 1744 O O . ALA B 1 15 ? 21.083 27.799 10.717 1.00 16.99 0 B 2 +ATOM 1745 C CB . ALA B 1 15 ? 17.751 27.262 10.362 1.00 6.58 0 B 2 +ATOM 1746 N N . ALA B 1 16 ? 20.205 25.962 11.671 1.00 14.29 0 B 2 +ATOM 1747 C CA . ALA B 1 16 ? 21.208 25.906 12.723 1.00 11.83 0 B 2 +ATOM 1748 C C . ALA B 1 16 ? 22.618 25.831 12.187 1.00 15.77 0 B 2 +ATOM 1749 O O . ALA B 1 16 ? 23.441 26.720 12.447 1.00 17.33 0 B 2 +ATOM 1750 C CB . ALA B 1 16 ? 20.948 24.755 13.654 1.00 9.46 0 B 2 +ATOM 1751 N N . LEU B 1 17 ? 22.883 24.818 11.366 1.00 18.54 0 B 2 +ATOM 1752 C CA . LEU B 1 17 ? 24.229 24.612 10.828 1.00 15.95 0 B 2 +ATOM 1753 C C . LEU B 1 17 ? 24.709 25.814 10.023 1.00 10.49 0 B 2 +ATOM 1754 O O . LEU B 1 17 ? 25.906 26.039 9.905 1.00 16.44 0 B 2 +ATOM 1755 C CB . LEU B 1 17 ? 24.294 23.312 10.000 1.00 12.67 0 B 2 +ATOM 1756 C CG . LEU B 1 17 ? 23.483 23.181 8.715 1.00 11.14 0 B 2 +ATOM 1757 C CD1 . LEU B 1 17 ? 24.343 23.553 7.548 1.00 3.24 0 B 2 +ATOM 1758 C CD2 . LEU B 1 17 ? 22.990 21.748 8.523 1.00 12.33 0 B 2 +ATOM 1759 N N . ARG B 1 18 ? 23.772 26.553 9.444 1.00 11.81 0 B 2 +ATOM 1760 C CA . ARG B 1 18 ? 24.113 27.742 8.682 1.00 12.23 0 B 2 +ATOM 1761 C C . ARG B 1 18 ? 24.539 28.819 9.666 1.00 10.45 0 B 2 +ATOM 1762 O O . ARG B 1 18 ? 25.533 29.516 9.446 1.00 16.59 0 B 2 +ATOM 1763 C CB . ARG B 1 18 ? 22.912 28.211 7.872 1.00 8.73 0 B 2 +ATOM 1764 C CG . ARG B 1 18 ? 22.645 27.356 6.692 1.00 7.20 0 B 2 +ATOM 1765 C CD . ARG B 1 18 ? 21.323 27.710 6.101 1.00 13.69 0 B 2 +ATOM 1766 N NE . ARG B 1 18 ? 21.159 27.107 4.785 1.00 13.61 0 B 2 +ATOM 1767 C CZ . ARG B 1 18 ? 19.984 26.767 4.271 1.00 10.96 0 B 2 +ATOM 1768 N NH1 . ARG B 1 18 ? 18.874 26.945 4.973 1.00 12.63 0 B 2 +ATOM 1769 N NH2 . ARG B 1 18 ? 19.911 26.317 3.034 1.00 14.54 0 B 2 +ATOM 1770 N N . MET B 1 19 ? 23.803 28.933 10.766 1.00 13.30 0 B 2 +ATOM 1771 C CA . MET B 1 19 ? 24.139 29.923 11.783 1.00 10.84 0 B 2 +ATOM 1772 C C . MET B 1 19 ? 25.549 29.658 12.268 1.00 12.29 0 B 2 +ATOM 1773 O O . MET B 1 19 ? 26.364 30.575 12.349 1.00 16.25 0 B 2 +ATOM 1774 C CB . MET B 1 19 ? 23.160 29.858 12.954 1.00 7.48 0 B 2 +ATOM 1775 C CG . MET B 1 19 ? 21.748 30.216 12.570 1.00 11.33 0 B 2 +ATOM 1776 S SD . MET B 1 19 ? 20.687 30.484 14.000 1.00 20.62 0 B 2 +ATOM 1777 C CE . MET B 1 19 ? 20.561 28.901 14.569 1.00 23.54 0 B 2 +ATOM 1778 N N . LEU B 1 20 ? 25.848 28.382 12.499 1.00 14.03 0 B 2 +ATOM 1779 C CA . LEU B 1 20 ? 27.159 27.952 12.981 1.00 14.46 0 B 2 +ATOM 1780 C C . LEU B 1 20 ? 28.256 28.412 12.045 1.00 11.96 0 B 2 +ATOM 1781 O O . LEU B 1 20 ? 29.163 29.129 12.454 1.00 22.84 0 B 2 +ATOM 1782 C CB . LEU B 1 20 ? 27.200 26.421 13.148 1.00 8.64 0 B 2 +ATOM 1783 C CG . LEU B 1 20 ? 28.427 25.773 13.796 1.00 5.60 0 B 2 +ATOM 1784 C CD1 . LEU B 1 20 ? 28.015 24.416 14.385 1.00 10.58 0 B 2 +ATOM 1785 C CD2 . LEU B 1 20 ? 29.570 25.592 12.799 1.00 2.05 0 B 2 +ATOM 1786 N N . LEU B 1 21 ? 28.179 27.978 10.795 1.00 13.96 0 B 2 +ATOM 1787 C CA . LEU B 1 21 ? 29.177 28.325 9.781 1.00 14.99 0 B 2 +ATOM 1788 C C . LEU B 1 21 ? 29.422 29.822 9.724 1.00 18.05 0 B 2 +ATOM 1789 O O . LEU B 1 21 ? 30.558 30.282 9.833 1.00 19.87 0 B 2 +ATOM 1790 C CB . LEU B 1 21 ? 28.706 27.834 8.416 1.00 11.76 0 B 2 +ATOM 1791 C CG . LEU B 1 21 ? 28.785 26.320 8.308 1.00 11.56 0 B 2 +ATOM 1792 C CD1 . LEU B 1 21 ? 28.014 25.820 7.115 1.00 14.81 0 B 2 +ATOM 1793 C CD2 . LEU B 1 21 ? 30.234 25.911 8.239 1.00 6.15 0 B 2 +ATOM 1794 N N . ALA B 1 22 ? 28.333 30.574 9.605 1.00 23.60 0 B 2 +ATOM 1795 C CA . ALA B 1 22 ? 28.390 32.025 9.536 1.00 21.34 0 B 2 +ATOM 1796 C C . ALA B 1 22 ? 29.101 32.579 10.762 1.00 20.82 0 B 2 +ATOM 1797 O O . ALA B 1 22 ? 30.104 33.285 10.641 1.00 22.49 0 B 2 +ATOM 1798 C CB . ALA B 1 22 ? 26.976 32.596 9.436 1.00 17.23 0 B 2 +ATOM 1799 N N . ASP B 1 23 ? 28.608 32.203 11.940 1.00 18.61 0 B 2 +ATOM 1800 C CA . ASP B 1 23 ? 29.175 32.675 13.192 1.00 16.42 0 B 2 +ATOM 1801 C C . ASP B 1 23 ? 30.639 32.303 13.321 1.00 19.05 0 B 2 +ATOM 1802 O O . ASP B 1 23 ? 31.425 33.071 13.879 1.00 20.06 0 B 2 +ATOM 1803 C CB . ASP B 1 23 ? 28.394 32.138 14.404 1.00 22.68 0 B 2 +ATOM 1804 C CG . ASP B 1 23 ? 28.571 33.008 15.676 1.00 23.00 0 B 2 +ATOM 1805 O OD1 . ASP B 1 23 ? 28.608 34.254 15.542 1.00 25.24 0 B 2 +ATOM 1806 O OD2 . ASP B 1 23 ? 28.671 32.446 16.789 1.00 20.31 0 B 2 +ATOM 1807 N N . GLN B 1 24 ? 31.012 31.142 12.790 1.00 18.07 0 B 2 +ATOM 1808 C CA . GLN B 1 24 ? 32.401 30.691 12.881 1.00 17.60 0 B 2 +ATOM 1809 C C . GLN B 1 24 ? 33.284 31.262 11.791 1.00 14.83 0 B 2 +ATOM 1810 O O . GLN B 1 24 ? 34.457 30.908 11.695 1.00 20.83 0 B 2 +ATOM 1811 C CB . GLN B 1 24 ? 32.478 29.159 12.904 1.00 19.14 0 B 2 +ATOM 1812 C CG . GLN B 1 24 ? 31.924 28.534 14.197 1.00 15.09 0 B 2 +ATOM 1813 C CD . GLN B 1 24 ? 32.561 29.095 15.465 1.00 12.90 0 B 2 +ATOM 1814 N NE2 . GLN B 1 24 ? 33.884 29.127 15.495 1.00 13.81 0 B 2 +ATOM 1815 O OE1 . GLN B 1 24 ? 31.868 29.482 16.415 1.00 12.05 0 B 2 +ATOM 1816 N N . GLY B 1 25 ? 32.714 32.147 10.978 1.00 22.04 0 B 2 +ATOM 1817 C CA . GLY B 1 25 ? 33.464 32.791 9.918 1.00 20.10 0 B 2 +ATOM 1818 C C . GLY B 1 25 ? 33.798 31.841 8.793 1.00 23.51 0 B 2 +ATOM 1819 O O . GLY B 1 25 ? 34.771 32.037 8.068 1.00 28.36 0 B 2 +ATOM 1820 N N . GLN B 1 26 ? 33.005 30.791 8.661 1.00 22.95 0 B 2 +ATOM 1821 C CA . GLN B 1 26 ? 33.241 29.804 7.626 1.00 22.49 0 B 2 +ATOM 1822 C C . GLN B 1 26 ? 32.518 30.154 6.333 1.00 24.12 0 B 2 +ATOM 1823 O O . GLN B 1 26 ? 31.481 30.821 6.347 1.00 26.60 0 B 2 +ATOM 1824 C CB . GLN B 1 26 ? 32.818 28.418 8.126 1.00 22.18 0 B 2 +ATOM 1825 C CG . GLN B 1 26 ? 33.570 27.955 9.374 1.00 19.74 0 B 2 +ATOM 1826 C CD . GLN B 1 26 ? 35.075 27.896 9.168 1.00 23.50 0 B 2 +ATOM 1827 N NE2 . GLN B 1 26 ? 35.832 28.146 10.227 1.00 23.87 0 B 2 +ATOM 1828 O OE1 . GLN B 1 26 ? 35.553 27.648 8.062 1.00 32.26 0 B 2 +ATOM 1829 N N . SER B 1 27 ? 33.066 29.704 5.210 1.00 30.00 0 B 2 +ATOM 1830 C CA . SER B 1 27 ? 32.459 29.962 3.903 1.00 28.75 0 B 2 +ATOM 1831 C C . SER B 1 27 ? 31.845 28.680 3.353 1.00 26.59 0 B 2 +ATOM 1832 O O . SER B 1 27 ? 32.437 27.604 3.480 1.00 23.02 0 B 2 +ATOM 1833 C CB . SER B 1 27 ? 33.522 30.467 2.913 1.00 30.97 0 B 2 +ATOM 1834 O OG . SER B 1 27 ? 33.929 31.802 3.185 1.00 34.30 0 B 2 +ATOM 1835 N N . TRP B 1 28 ? 30.686 28.798 2.711 1.00 21.76 0 B 2 +ATOM 1836 C CA . TRP B 1 28 ? 30.047 27.626 2.137 1.00 20.45 0 B 2 +ATOM 1837 C C . TRP B 1 28 ? 29.215 27.942 0.895 1.00 19.73 0 B 2 +ATOM 1838 O O . TRP B 1 28 ? 28.760 29.062 0.693 1.00 17.27 0 B 2 +ATOM 1839 C CB . TRP B 1 28 ? 29.193 26.909 3.187 1.00 14.02 0 B 2 +ATOM 1840 C CG . TRP B 1 28 ? 27.924 27.599 3.532 1.00 11.82 0 B 2 +ATOM 1841 C CD1 . TRP B 1 28 ? 26.675 27.286 3.075 1.00 14.47 0 B 2 +ATOM 1842 C CD2 . TRP B 1 28 ? 27.754 28.667 4.472 1.00 10.80 0 B 2 +ATOM 1843 C CE2 . TRP B 1 28 ? 26.372 28.939 4.538 1.00 8.72 0 B 2 +ATOM 1844 C CE3 . TRP B 1 28 ? 28.639 29.419 5.253 1.00 13.17 0 B 2 +ATOM 1845 N NE1 . TRP B 1 28 ? 25.740 28.085 3.681 1.00 12.74 0 B 2 +ATOM 1846 C CZ2 . TRP B 1 28 ? 25.847 29.932 5.375 1.00 7.25 0 B 2 +ATOM 1847 C CZ3 . TRP B 1 28 ? 28.117 30.403 6.079 1.00 12.31 0 B 2 +ATOM 1848 C CH2 . TRP B 1 28 ? 26.730 30.650 6.129 1.00 12.18 0 B 2 +ATOM 1849 N N . LYS B 1 29 ? 29.010 26.928 0.077 1.00 19.11 0 B 2 +ATOM 1850 C CA . LYS B 1 29 ? 28.245 27.056 -1.143 1.00 23.10 0 B 2 +ATOM 1851 C C . LYS B 1 29 ? 26.859 26.486 -0.891 1.00 25.89 0 B 2 +ATOM 1852 O O . LYS B 1 29 ? 26.698 25.464 -0.204 1.00 24.44 0 B 2 +ATOM 1853 C CB . LYS B 1 29 ? 28.953 26.276 -2.258 1.00 29.87 0 B 2 +ATOM 1854 C CG . LYS B 1 29 ? 28.074 25.783 -3.393 1.00 41.03 0 B 2 +ATOM 1855 C CD . LYS B 1 29 ? 27.851 26.827 -4.471 1.00 54.60 0 B 2 +ATOM 1856 C CE . LYS B 1 29 ? 26.983 26.248 -5.579 1.00 60.22 0 B 2 +ATOM 1857 N NZ . LYS B 1 29 ? 27.542 24.963 -6.126 1.00 66.25 0 B 2 +ATOM 1858 N N . GLU B 1 30 ? 25.853 27.159 -1.434 1.00 27.09 0 B 2 +ATOM 1859 C CA . GLU B 1 30 ? 24.478 26.727 -1.284 1.00 22.76 0 B 2 +ATOM 1860 C C . GLU B 1 30 ? 23.934 26.132 -2.574 1.00 27.22 0 B 2 +ATOM 1861 O O . GLU B 1 30 ? 23.807 26.831 -3.579 1.00 28.14 0 B 2 +ATOM 1862 C CB . GLU B 1 30 ? 23.588 27.906 -0.870 1.00 24.71 0 B 2 +ATOM 1863 C CG . GLU B 1 30 ? 23.750 28.365 0.575 1.00 25.60 0 B 2 +ATOM 1864 C CD . GLU B 1 30 ? 22.999 27.503 1.568 1.00 22.68 0 B 2 +ATOM 1865 O OE1 . GLU B 1 30 ? 22.496 26.426 1.187 1.00 25.52 0 B 2 +ATOM 1866 O OE2 . GLU B 1 30 ? 22.912 27.917 2.735 1.00 25.33 0 B 2 +ATOM 1867 N N . GLU B 1 31 ? 23.646 24.838 -2.550 1.00 29.40 0 B 2 +ATOM 1868 C CA . GLU B 1 31 ? 23.059 24.162 -3.697 1.00 30.25 0 B 2 +ATOM 1869 C C . GLU B 1 31 ? 21.569 24.087 -3.409 1.00 29.50 0 B 2 +ATOM 1870 O O . GLU B 1 31 ? 21.132 23.324 -2.547 1.00 29.93 0 B 2 +ATOM 1871 C CB . GLU B 1 31 ? 23.634 22.763 -3.854 1.00 34.26 0 B 2 +ATOM 1872 C CG . GLU B 1 31 ? 24.971 22.758 -4.549 1.00 47.90 0 B 2 +ATOM 1873 C CD . GLU B 1 31 ? 24.839 22.905 -6.049 1.00 54.07 0 B 2 +ATOM 1874 O OE1 . GLU B 1 31 ? 24.454 23.992 -6.533 1.00 53.62 0 B 2 +ATOM 1875 O OE2 . GLU B 1 31 ? 25.122 21.916 -6.750 1.00 66.85 0 B 2 +ATOM 1876 N N . VAL B 1 32 ? 20.806 24.939 -4.079 1.00 29.27 0 B 2 +ATOM 1877 C CA . VAL B 1 32 ? 19.365 25.007 -3.900 1.00 26.39 0 B 2 +ATOM 1878 C C . VAL B 1 32 ? 18.671 23.962 -4.752 1.00 30.94 0 B 2 +ATOM 1879 O O . VAL B 1 32 ? 18.923 23.855 -5.949 1.00 39.04 0 B 2 +ATOM 1880 C CB . VAL B 1 32 ? 18.835 26.403 -4.285 1.00 30.62 0 B 2 +ATOM 1881 C CG1 . VAL B 1 32 ? 17.323 26.476 -4.078 1.00 25.87 0 B 2 +ATOM 1882 C CG2 . VAL B 1 32 ? 19.550 27.474 -3.465 1.00 26.68 0 B 2 +ATOM 1883 N N . VAL B 1 33 ? 17.794 23.192 -4.125 1.00 32.24 0 B 2 +ATOM 1884 C CA . VAL B 1 33 ? 17.049 22.143 -4.803 1.00 26.40 0 B 2 +ATOM 1885 C C . VAL B 1 33 ? 15.582 22.548 -4.801 1.00 31.56 0 B 2 +ATOM 1886 O O . VAL B 1 33 ? 15.039 22.930 -3.764 1.00 33.69 0 B 2 +ATOM 1887 C CB . VAL B 1 33 ? 17.232 20.799 -4.072 1.00 24.47 0 B 2 +ATOM 1888 C CG1 . VAL B 1 33 ? 16.429 19.704 -4.733 1.00 23.77 0 B 2 +ATOM 1889 C CG2 . VAL B 1 33 ? 18.705 20.435 -4.046 1.00 21.90 0 B 2 +ATOM 1890 N N . THR B 1 34 ? 14.969 22.556 -5.979 1.00 36.24 0 B 2 +ATOM 1891 C CA . THR B 1 34 ? 13.563 22.916 -6.098 1.00 39.40 0 B 2 +ATOM 1892 C C . THR B 1 34 ? 12.676 21.690 -6.095 1.00 39.86 0 B 2 +ATOM 1893 O O . THR B 1 34 ? 13.127 20.587 -6.404 1.00 37.37 0 B 2 +ATOM 1894 C CB . THR B 1 34 ? 13.282 23.692 -7.389 1.00 38.77 0 B 2 +ATOM 1895 C CG2 . THR B 1 34 ? 13.871 25.083 -7.308 1.00 44.18 0 B 2 +ATOM 1896 O OG1 . THR B 1 34 ? 13.841 22.987 -8.505 1.00 45.87 0 B 2 +ATOM 1897 N N . VAL B 1 35 ? 11.390 21.906 -5.832 1.00 47.64 0 B 2 +ATOM 1898 C CA . VAL B 1 35 ? 10.420 20.824 -5.791 1.00 53.28 0 B 2 +ATOM 1899 C C . VAL B 1 35 ? 10.438 20.021 -7.094 1.00 54.22 0 B 2 +ATOM 1900 O O . VAL B 1 35 ? 10.324 18.796 -7.078 1.00 51.37 0 B 2 +ATOM 1901 C CB . VAL B 1 35 ? 8.986 21.351 -5.480 1.00 56.47 0 B 2 +ATOM 1902 C CG1 . VAL B 1 35 ? 8.384 22.077 -6.687 1.00 58.28 0 B 2 +ATOM 1903 C CG2 . VAL B 1 35 ? 8.085 20.209 -5.013 1.00 60.50 0 B 2 +ATOM 1904 N N . GLU B 1 36 ? 10.644 20.715 -8.210 1.00 58.43 0 B 2 +ATOM 1905 C CA . GLU B 1 36 ? 10.693 20.071 -9.520 1.00 61.12 0 B 2 +ATOM 1906 C C . GLU B 1 36 ? 11.898 19.137 -9.611 1.00 57.43 0 B 2 +ATOM 1907 O O . GLU B 1 36 ? 11.764 17.961 -9.968 1.00 57.50 0 B 2 +ATOM 1908 C CB . GLU B 1 36 ? 10.759 21.119 -10.645 1.00 67.67 0 B 2 +ATOM 1909 C CG . GLU B 1 36 ? 9.598 22.118 -10.664 1.00 76.81 0 B 2 +ATOM 1910 C CD . GLU B 1 36 ? 9.981 23.480 -10.106 1.00 82.50 0 B 2 +ATOM 1911 O OE1 . GLU B 1 36 ? 10.924 24.104 -10.644 1.00 85.34 0 B 2 +ATOM 1912 O OE2 . GLU B 1 36 ? 9.331 23.938 -9.140 1.00 85.98 0 B 2 +ATOM 1913 N N . THR B 1 37 ? 13.062 19.663 -9.249 1.00 52.77 0 B 2 +ATOM 1914 C CA . THR B 1 37 ? 14.303 18.896 -9.279 1.00 46.99 0 B 2 +ATOM 1915 C C . THR B 1 37 ? 14.213 17.658 -8.379 1.00 47.18 0 B 2 +ATOM 1916 O O . THR B 1 37 ? 14.723 16.584 -8.715 1.00 45.53 0 B 2 +ATOM 1917 C CB . THR B 1 37 ? 15.480 19.777 -8.829 1.00 44.38 0 B 2 +ATOM 1918 C CG2 . THR B 1 37 ? 16.799 19.058 -9.040 1.00 38.19 0 B 2 +ATOM 1919 O OG1 . THR B 1 37 ? 15.467 21.004 -9.573 1.00 35.05 0 B 2 +ATOM 1920 N N . TRP B 1 38 ? 13.519 17.803 -7.254 1.00 42.94 0 B 2 +ATOM 1921 C CA . TRP B 1 38 ? 13.368 16.704 -6.321 1.00 43.28 0 B 2 +ATOM 1922 C C . TRP B 1 38 ? 12.399 15.671 -6.864 1.00 47.41 0 B 2 +ATOM 1923 O O . TRP B 1 38 ? 12.695 14.477 -6.874 1.00 50.08 0 B 2 +ATOM 1924 C CB . TRP B 1 38 ? 12.857 17.217 -4.978 1.00 36.44 0 B 2 +ATOM 1925 C CG . TRP B 1 38 ? 12.913 16.191 -3.887 1.00 33.30 0 B 2 +ATOM 1926 C CD1 . TRP B 1 38 ? 11.855 15.633 -3.220 1.00 32.64 0 B 2 +ATOM 1927 C CD2 . TRP B 1 38 ? 14.099 15.622 -3.308 1.00 28.13 0 B 2 +ATOM 1928 C CE2 . TRP B 1 38 ? 13.684 14.725 -2.297 1.00 29.08 0 B 2 +ATOM 1929 C CE3 . TRP B 1 38 ? 15.472 15.780 -3.550 1.00 25.40 0 B 2 +ATOM 1930 N NE1 . TRP B 1 38 ? 12.312 14.752 -2.260 1.00 31.63 0 B 2 +ATOM 1931 C CZ2 . TRP B 1 38 ? 14.596 14.000 -1.518 1.00 23.42 0 B 2 +ATOM 1932 C CZ3 . TRP B 1 38 ? 16.378 15.055 -2.775 1.00 21.21 0 B 2 +ATOM 1933 C CH2 . TRP B 1 38 ? 15.931 14.176 -1.778 1.00 18.10 0 B 2 +ATOM 1934 N N . GLN B 1 39 ? 11.257 16.135 -7.357 1.00 52.69 0 B 2 +ATOM 1935 C CA . GLN B 1 39 ? 10.236 15.238 -7.881 1.00 56.62 0 B 2 +ATOM 1936 C C . GLN B 1 39 ? 10.684 14.499 -9.136 1.00 56.84 0 B 2 +ATOM 1937 O O . GLN B 1 39 ? 9.953 13.665 -9.672 1.00 60.81 0 B 2 +ATOM 1938 C CB . GLN B 1 39 ? 8.913 15.987 -8.092 1.00 57.23 0 B 2 +ATOM 1939 C CG . GLN B 1 39 ? 8.266 16.426 -6.778 1.00 60.47 0 B 2 +ATOM 1940 C CD . GLN B 1 39 ? 7.030 17.290 -6.976 1.00 65.34 0 B 2 +ATOM 1941 N NE2 . GLN B 1 39 ? 6.207 17.384 -5.939 1.00 64.94 0 B 2 +ATOM 1942 O OE1 . GLN B 1 39 ? 6.827 17.876 -8.040 1.00 67.75 0 B 2 +ATOM 1943 N N . GLU B 1 40 ? 11.888 14.808 -9.604 1.00 57.04 0 B 2 +ATOM 1944 C CA . GLU B 1 40 ? 12.439 14.136 -10.766 1.00 56.97 0 B 2 +ATOM 1945 C C . GLU B 1 40 ? 12.998 12.775 -10.319 1.00 58.80 0 B 2 +ATOM 1946 O O . GLU B 1 40 ? 13.202 11.872 -11.133 1.00 61.94 0 B 2 +ATOM 1947 C CB . GLU B 1 40 ? 13.517 15.004 -11.401 1.00 55.00 0 B 2 +ATOM 1948 C CG . GLU B 1 40 ? 13.976 14.509 -12.740 1.00 60.21 0 B 2 +ATOM 1949 C CD . GLU B 1 40 ? 15.315 13.823 -12.667 1.00 62.90 0 B 2 +ATOM 1950 O OE1 . GLU B 1 40 ? 16.334 14.540 -12.646 1.00 68.20 0 B 2 +ATOM 1951 O OE2 . GLU B 1 40 ? 15.357 12.574 -12.643 1.00 66.48 0 B 2 +ATOM 1952 N N . GLY B 1 41 ? 13.277 12.657 -9.020 1.00 55.91 0 B 2 +ATOM 1953 C CA . GLY B 1 41 ? 13.765 11.411 -8.450 1.00 50.06 0 B 2 +ATOM 1954 C C . GLY B 1 41 ? 15.253 11.117 -8.462 1.00 48.42 0 B 2 +ATOM 1955 O O . GLY B 1 41 ? 15.749 10.410 -7.579 1.00 48.44 0 B 2 +ATOM 1956 N N . SER B 1 42 ? 15.977 11.680 -9.422 1.00 46.90 0 B 2 +ATOM 1957 C CA . SER B 1 42 ? 17.414 11.443 -9.548 1.00 50.18 0 B 2 +ATOM 1958 C C . SER B 1 42 ? 18.242 11.713 -8.290 1.00 46.83 0 B 2 +ATOM 1959 O O . SER B 1 42 ? 18.987 10.846 -7.830 1.00 45.75 0 B 2 +ATOM 1960 C CB . SER B 1 42 ? 17.966 12.272 -10.702 1.00 52.48 0 B 2 +ATOM 1961 O OG . SER B 1 42 ? 17.570 13.620 -10.558 1.00 59.18 0 B 2 +ATOM 1962 N N . LEU B 1 43 ? 18.129 12.924 -7.755 1.00 45.86 0 B 2 +ATOM 1963 C CA . LEU B 1 43 ? 18.885 13.298 -6.562 1.00 40.05 0 B 2 +ATOM 1964 C C . LEU B 1 43 ? 18.398 12.511 -5.350 1.00 34.71 0 B 2 +ATOM 1965 O O . LEU B 1 43 ? 19.205 12.025 -4.563 1.00 35.66 0 B 2 +ATOM 1966 C CB . LEU B 1 43 ? 18.782 14.811 -6.320 1.00 41.14 0 B 2 +ATOM 1967 C CG . LEU B 1 43 ? 19.863 15.520 -5.484 1.00 42.51 0 B 2 +ATOM 1968 C CD1 . LEU B 1 43 ? 19.557 15.446 -4.009 1.00 46.88 0 B 2 +ATOM 1969 C CD2 . LEU B 1 43 ? 21.239 14.952 -5.790 1.00 39.74 0 B 2 +ATOM 1970 N N . LYS B 1 44 ? 17.086 12.324 -5.244 1.00 26.39 0 B 2 +ATOM 1971 C CA . LYS B 1 44 ? 16.497 11.590 -4.141 1.00 29.50 0 B 2 +ATOM 1972 C C . LYS B 1 44 ? 17.102 10.195 -4.032 1.00 34.06 0 B 2 +ATOM 1973 O O . LYS B 1 44 ? 17.442 9.743 -2.937 1.00 34.77 0 B 2 +ATOM 1974 C CB . LYS B 1 44 ? 14.974 11.478 -4.305 1.00 30.20 0 B 2 +ATOM 1975 C CG . LYS B 1 44 ? 14.284 10.905 -3.069 1.00 28.73 0 B 2 +ATOM 1976 C CD . LYS B 1 44 ? 12.776 10.904 -3.175 1.00 29.18 0 B 2 +ATOM 1977 C CE . LYS B 1 44 ? 12.140 11.023 -1.788 1.00 39.73 0 B 2 +ATOM 1978 N NZ . LYS B 1 44 ? 12.591 10.004 -0.796 1.00 29.73 0 B 2 +ATOM 1979 N N . ALA B 1 45 ? 17.248 9.523 -5.169 1.00 36.39 0 B 2 +ATOM 1980 C CA . ALA B 1 45 ? 17.802 8.175 -5.207 1.00 33.03 0 B 2 +ATOM 1981 C C . ALA B 1 45 ? 19.264 8.126 -4.782 1.00 33.05 0 B 2 +ATOM 1982 O O . ALA B 1 45 ? 19.707 7.148 -4.178 1.00 39.78 0 B 2 +ATOM 1983 C CB . ALA B 1 45 ? 17.626 7.579 -6.603 1.00 35.77 0 B 2 +ATOM 1984 N N . SER B 1 46 ? 20.017 9.171 -5.097 1.00 29.59 0 B 2 +ATOM 1985 C CA . SER B 1 46 ? 21.425 9.216 -4.748 1.00 27.14 0 B 2 +ATOM 1986 C C . SER B 1 46 ? 21.665 9.544 -3.271 1.00 26.02 0 B 2 +ATOM 1987 O O . SER B 1 46 ? 22.794 9.464 -2.787 1.00 25.51 0 B 2 +ATOM 1988 C CB . SER B 1 46 ? 22.147 10.224 -5.644 1.00 29.76 0 B 2 +ATOM 1989 O OG . SER B 1 46 ? 21.546 11.508 -5.556 1.00 31.85 0 B 2 +ATOM 1990 N N . CYS B 1 47 ? 20.618 9.951 -2.566 1.00 23.30 0 B 2 +ATOM 1991 C CA . CYS B 1 47 ? 20.725 10.283 -1.157 1.00 23.13 0 B 2 +ATOM 1992 C C . CYS B 1 47 ? 20.610 9.019 -0.319 1.00 23.47 0 B 2 +ATOM 1993 O O . CYS B 1 47 ? 19.643 8.266 -0.463 1.00 21.06 0 B 2 +ATOM 1994 C CB . CYS B 1 47 ? 19.624 11.277 -0.757 1.00 25.29 0 B 2 +ATOM 1995 S SG . CYS B 1 47 ? 19.826 12.925 -1.457 1.00 28.80 0 B 2 +ATOM 1996 N N . LEU B 1 48 ? 21.525 8.853 0.634 1.00 21.12 0 B 2 +ATOM 1997 C CA . LEU B 1 48 ? 21.551 7.676 1.504 1.00 23.28 0 B 2 +ATOM 1998 C C . LEU B 1 48 ? 20.204 7.255 2.079 1.00 23.28 0 B 2 +ATOM 1999 O O . LEU B 1 48 ? 19.854 6.081 2.063 1.00 24.26 0 B 2 +ATOM 2000 C CB . LEU B 1 48 ? 22.537 7.884 2.635 1.00 20.97 0 B 2 +ATOM 2001 C CG . LEU B 1 48 ? 22.748 6.643 3.504 1.00 24.22 0 B 2 +ATOM 2002 C CD1 . LEU B 1 48 ? 23.360 5.505 2.666 1.00 20.50 0 B 2 +ATOM 2003 C CD2 . LEU B 1 48 ? 23.649 7.014 4.669 1.00 21.29 0 B 2 +ATOM 2004 N N . TYR B 1 49 ? 19.491 8.215 2.663 1.00 24.24 0 B 2 +ATOM 2005 C CA . TYR B 1 49 ? 18.165 7.965 3.226 1.00 23.71 0 B 2 +ATOM 2006 C C . TYR B 1 49 ? 17.074 8.675 2.373 1.00 27.62 0 B 2 +ATOM 2007 O O . TYR B 1 49 ? 15.989 8.997 2.886 1.00 33.21 0 B 2 +ATOM 2008 C CB . TYR B 1 49 ? 18.128 8.441 4.691 1.00 14.19 0 B 2 +ATOM 2009 C CG . TYR B 1 49 ? 19.198 7.821 5.609 1.00 12.84 0 B 2 +ATOM 2010 C CD1 . TYR B 1 49 ? 19.113 6.488 6.038 1.00 14.84 0 B 2 +ATOM 2011 C CD2 . TYR B 1 49 ? 20.297 8.575 6.067 1.00 12.74 0 B 2 +ATOM 2012 C CE1 . TYR B 1 49 ? 20.085 5.921 6.891 1.00 15.75 0 B 2 +ATOM 2013 C CE2 . TYR B 1 49 ? 21.274 8.017 6.921 1.00 15.20 0 B 2 +ATOM 2014 C CZ . TYR B 1 49 ? 21.162 6.699 7.313 1.00 17.93 0 B 2 +ATOM 2015 O OH . TYR B 1 49 ? 22.199 6.184 8.037 1.00 20.26 0 B 2 +ATOM 2016 N N . GLY B 1 50 ? 17.355 8.883 1.081 1.00 23.70 0 B 2 +ATOM 2017 C CA . GLY B 1 50 ? 16.420 9.539 0.164 1.00 24.44 0 B 2 +ATOM 2018 C C . GLY B 1 50 ? 15.927 10.912 0.629 1.00 28.77 0 B 2 +ATOM 2019 O O . GLY B 1 50 ? 14.805 11.337 0.319 1.00 27.66 0 B 2 +ATOM 2020 N N . GLN B 1 51 ? 16.761 11.606 1.394 1.00 27.20 0 B 2 +ATOM 2021 C CA . GLN B 1 51 ? 16.378 12.897 1.919 1.00 23.91 0 B 2 +ATOM 2022 C C . GLN B 1 51 ? 17.516 13.909 2.010 1.00 22.69 0 B 2 +ATOM 2023 O O . GLN B 1 51 ? 18.689 13.544 1.951 1.00 22.12 0 B 2 +ATOM 2024 C CB . GLN B 1 51 ? 15.763 12.741 3.313 1.00 23.65 0 B 2 +ATOM 2025 C CG . GLN B 1 51 ? 14.419 12.040 3.318 1.00 25.97 0 B 2 +ATOM 2026 C CD . GLN B 1 51 ? 13.744 12.122 4.666 1.00 27.56 0 B 2 +ATOM 2027 N NE2 . GLN B 1 51 ? 12.448 12.405 4.653 1.00 32.50 0 B 2 +ATOM 2028 O OE1 . GLN B 1 51 ? 14.375 11.925 5.708 1.00 27.33 0 B 2 +ATOM 2029 N N . LEU B 1 52 ? 17.144 15.181 2.137 1.00 24.08 0 B 2 +ATOM 2030 C CA . LEU B 1 52 ? 18.088 16.294 2.290 1.00 18.76 0 B 2 +ATOM 2031 C C . LEU B 1 52 ? 17.870 16.759 3.736 1.00 19.09 0 B 2 +ATOM 2032 O O . LEU B 1 52 ? 16.878 16.376 4.362 1.00 18.27 0 B 2 +ATOM 2033 C CB . LEU B 1 52 ? 17.744 17.426 1.318 1.00 17.97 0 B 2 +ATOM 2034 C CG . LEU B 1 52 ? 17.800 17.133 -0.177 1.00 17.87 0 B 2 +ATOM 2035 C CD1 . LEU B 1 52 ? 17.414 18.375 -0.949 1.00 19.92 0 B 2 +ATOM 2036 C CD2 . LEU B 1 52 ? 19.188 16.671 -0.568 1.00 18.57 0 B 2 +ATOM 2037 N N . PRO B 1 53 ? 18.767 17.590 4.285 1.00 20.60 0 B 2 +ATOM 2038 C CA . PRO B 1 53 ? 19.988 18.126 3.685 1.00 17.36 0 B 2 +ATOM 2039 C C . PRO B 1 53 ? 21.092 17.125 3.376 1.00 19.27 0 B 2 +ATOM 2040 O O . PRO B 1 53 ? 21.191 16.077 4.008 1.00 20.48 0 B 2 +ATOM 2041 C CB . PRO B 1 53 ? 20.464 19.121 4.753 1.00 19.41 0 B 2 +ATOM 2042 C CG . PRO B 1 53 ? 20.032 18.472 6.024 1.00 13.61 0 B 2 +ATOM 2043 C CD . PRO B 1 53 ? 18.624 18.042 5.679 1.00 19.95 0 B 2 +ATOM 2044 N N . LYS B 1 54 ? 21.889 17.471 2.370 1.00 20.26 0 B 2 +ATOM 2045 C CA . LYS B 1 54 ? 23.036 16.709 1.952 1.00 14.30 0 B 2 +ATOM 2046 C C . LYS B 1 54 ? 24.161 17.710 2.198 1.00 13.60 0 B 2 +ATOM 2047 O O . LYS B 1 54 ? 23.954 18.908 2.033 1.00 16.89 0 B 2 +ATOM 2048 C CB . LYS B 1 54 ? 22.963 16.356 0.460 1.00 12.46 0 B 2 +ATOM 2049 C CG . LYS B 1 54 ? 24.260 15.821 -0.113 1.00 20.55 0 B 2 +ATOM 2050 C CD . LYS B 1 54 ? 24.127 15.546 -1.597 1.00 24.79 0 B 2 +ATOM 2051 C CE . LYS B 1 54 ? 25.489 15.380 -2.248 1.00 27.06 0 B 2 +ATOM 2052 N NZ . LYS B 1 54 ? 25.384 15.084 -3.707 1.00 31.26 0 B 2 +ATOM 2053 N N . PHE B 1 55 ? 25.332 17.242 2.613 1.00 13.42 0 B 2 +ATOM 2054 C CA . PHE B 1 55 ? 26.438 18.129 2.930 1.00 18.50 0 B 2 +ATOM 2055 C C . PHE B 1 55 ? 27.742 17.606 2.348 1.00 22.01 0 B 2 +ATOM 2056 O O . PHE B 1 55 ? 27.961 16.397 2.277 1.00 19.16 0 B 2 +ATOM 2057 C CB . PHE B 1 55 ? 26.592 18.223 4.445 1.00 16.41 0 B 2 +ATOM 2058 C CG . PHE B 1 55 ? 27.478 19.356 4.896 1.00 17.96 0 B 2 +ATOM 2059 C CD1 . PHE B 1 55 ? 27.013 20.669 4.874 1.00 17.52 0 B 2 +ATOM 2060 C CD2 . PHE B 1 55 ? 28.762 19.118 5.365 1.00 19.77 0 B 2 +ATOM 2061 C CE1 . PHE B 1 55 ? 27.811 21.722 5.323 1.00 11.27 0 B 2 +ATOM 2062 C CE2 . PHE B 1 55 ? 29.562 20.164 5.815 1.00 20.95 0 B 2 +ATOM 2063 C CZ . PHE B 1 55 ? 29.077 21.470 5.790 1.00 13.89 0 B 2 +ATOM 2064 N N . GLN B 1 56 ? 28.610 18.517 1.930 1.00 21.28 0 B 2 +ATOM 2065 C CA . GLN B 1 56 ? 29.882 18.109 1.380 1.00 20.79 0 B 2 +ATOM 2066 C C . GLN B 1 56 ? 31.000 18.908 2.024 1.00 23.23 0 B 2 +ATOM 2067 O O . GLN B 1 56 ? 30.895 20.128 2.209 1.00 24.14 0 B 2 +ATOM 2068 C CB . GLN B 1 56 ? 29.892 18.288 -0.140 1.00 24.95 0 B 2 +ATOM 2069 C CG . GLN B 1 56 ? 28.903 17.384 -0.875 1.00 30.61 0 B 2 +ATOM 2070 C CD . GLN B 1 56 ? 28.838 17.656 -2.378 1.00 37.29 0 B 2 +ATOM 2071 N NE2 . GLN B 1 56 ? 28.682 16.598 -3.161 1.00 44.15 0 B 2 +ATOM 2072 O OE1 . GLN B 1 56 ? 28.906 18.799 -2.824 1.00 38.31 0 B 2 +ATOM 2073 N N . ASP B 1 57 ? 32.020 18.191 2.474 1.00 21.60 0 B 2 +ATOM 2074 C CA . ASP B 1 57 ? 33.187 18.796 3.081 1.00 23.99 0 B 2 +ATOM 2075 C C . ASP B 1 57 ? 34.335 18.108 2.356 1.00 27.04 0 B 2 +ATOM 2076 O O . ASP B 1 57 ? 34.791 17.039 2.757 1.00 28.71 0 B 2 +ATOM 2077 C CB . ASP B 1 57 ? 33.248 18.495 4.574 1.00 21.13 0 B 2 +ATOM 2078 C CG . ASP B 1 57 ? 34.412 19.194 5.267 1.00 29.83 0 B 2 +ATOM 2079 O OD1 . ASP B 1 57 ? 35.207 19.902 4.595 1.00 34.77 0 B 2 +ATOM 2080 O OD2 . ASP B 1 57 ? 34.538 19.043 6.498 1.00 29.43 0 B 2 +ATOM 2081 N N . GLY B 1 58 ? 34.786 18.709 1.263 1.00 28.19 0 B 2 +ATOM 2082 C CA . GLY B 1 58 ? 35.838 18.087 0.493 1.00 24.07 0 B 2 +ATOM 2083 C C . GLY B 1 58 ? 35.107 16.944 -0.175 1.00 25.17 0 B 2 +ATOM 2084 O O . GLY B 1 58 ? 33.958 17.126 -0.594 1.00 29.51 0 B 2 +ATOM 2085 N N . ASP B 1 59 ? 35.698 15.753 -0.183 1.00 28.44 0 B 2 +ATOM 2086 C CA . ASP B 1 59 ? 35.050 14.596 -0.805 1.00 30.63 0 B 2 +ATOM 2087 C C . ASP B 1 59 ? 34.197 13.797 0.184 1.00 31.12 0 B 2 +ATOM 2088 O O . ASP B 1 59 ? 33.727 12.699 -0.125 1.00 33.47 0 B 2 +ATOM 2089 C CB . ASP B 1 59 ? 36.090 13.694 -1.485 1.00 31.64 0 B 2 +ATOM 2090 C CG . ASP B 1 59 ? 37.067 13.065 -0.505 1.00 27.74 0 B 2 +ATOM 2091 O OD1 . ASP B 1 59 ? 37.258 13.606 0.606 1.00 28.29 0 B 2 +ATOM 2092 O OD2 . ASP B 1 59 ? 37.654 12.024 -0.854 1.00 28.97 0 B 2 +ATOM 2093 N N . LEU B 1 60 ? 34.018 14.346 1.381 1.00 30.41 0 B 2 +ATOM 2094 C CA . LEU B 1 60 ? 33.217 13.701 2.406 1.00 23.21 0 B 2 +ATOM 2095 C C . LEU B 1 60 ? 31.772 14.151 2.208 1.00 20.38 0 B 2 +ATOM 2096 O O . LEU B 1 60 ? 31.469 15.336 2.323 1.00 15.91 0 B 2 +ATOM 2097 C CB . LEU B 1 60 ? 33.698 14.135 3.793 1.00 25.65 0 B 2 +ATOM 2098 C CG . LEU B 1 60 ? 33.497 13.255 5.031 1.00 23.20 0 B 2 +ATOM 2099 C CD1 . LEU B 1 60 ? 33.118 14.157 6.182 1.00 17.98 0 B 2 +ATOM 2100 C CD2 . LEU B 1 60 ? 32.431 12.185 4.826 1.00 16.50 0 B 2 +ATOM 2101 N N . THR B 1 61 ? 30.901 13.212 1.854 1.00 23.88 0 B 2 +ATOM 2102 C CA . THR B 1 61 ? 29.492 13.525 1.675 1.00 22.51 0 B 2 +ATOM 2103 C C . THR B 1 61 ? 28.763 13.039 2.915 1.00 23.12 0 B 2 +ATOM 2104 O O . THR B 1 61 ? 28.960 11.892 3.333 1.00 21.55 0 B 2 +ATOM 2105 C CB . THR B 1 61 ? 28.898 12.830 0.431 1.00 22.40 0 B 2 +ATOM 2106 C CG2 . THR B 1 61 ? 27.420 13.197 0.271 1.00 21.65 0 B 2 +ATOM 2107 O OG1 . THR B 1 61 ? 29.610 13.245 -0.748 1.00 24.13 0 B 2 +ATOM 2108 N N . LEU B 1 62 ? 27.945 13.910 3.508 1.00 21.64 0 B 2 +ATOM 2109 C CA . LEU B 1 62 ? 27.184 13.575 4.702 1.00 17.75 0 B 2 +ATOM 2110 C C . LEU B 1 62 ? 25.708 13.821 4.537 1.00 19.65 0 B 2 +ATOM 2111 O O . LEU B 1 62 ? 25.287 14.635 3.711 1.00 23.89 0 B 2 +ATOM 2112 C CB . LEU B 1 62 ? 27.662 14.393 5.897 1.00 11.82 0 B 2 +ATOM 2113 C CG . LEU B 1 62 ? 29.039 14.045 6.438 1.00 14.10 0 B 2 +ATOM 2114 C CD1 . LEU B 1 62 ? 29.403 15.069 7.505 1.00 11.80 0 B 2 +ATOM 2115 C CD2 . LEU B 1 62 ? 29.032 12.627 6.996 1.00 9.23 0 B 2 +ATOM 2116 N N . TYR B 1 63 ? 24.928 13.122 5.346 1.00 15.53 0 B 2 +ATOM 2117 C CA . TYR B 1 63 ? 23.494 13.274 5.343 1.00 16.00 0 B 2 +ATOM 2118 C C . TYR B 1 63 ? 23.112 13.361 6.830 1.00 16.11 0 B 2 +ATOM 2119 O O . TYR B 1 63 ? 23.958 13.109 7.682 1.00 15.17 0 B 2 +ATOM 2120 C CB . TYR B 1 63 ? 22.832 12.092 4.610 1.00 16.23 0 B 2 +ATOM 2121 C CG . TYR B 1 63 ? 23.184 11.980 3.105 1.00 15.43 0 B 2 +ATOM 2122 C CD1 . TYR B 1 63 ? 22.431 12.638 2.128 1.00 18.53 0 B 2 +ATOM 2123 C CD2 . TYR B 1 63 ? 24.254 11.203 2.664 1.00 16.61 0 B 2 +ATOM 2124 C CE1 . TYR B 1 63 ? 22.737 12.529 0.767 1.00 14.71 0 B 2 +ATOM 2125 C CE2 . TYR B 1 63 ? 24.568 11.088 1.303 1.00 18.86 0 B 2 +ATOM 2126 C CZ . TYR B 1 63 ? 23.801 11.767 0.365 1.00 17.28 0 B 2 +ATOM 2127 O OH . TYR B 1 63 ? 24.104 11.776 -0.975 1.00 22.28 0 B 2 +ATOM 2128 N N . GLN B 1 64 ? 21.889 13.792 7.130 1.00 18.33 0 B 2 +ATOM 2129 C CA . GLN B 1 64 ? 21.397 13.952 8.500 1.00 15.45 0 B 2 +ATOM 2130 C C . GLN B 1 64 ? 21.934 15.245 9.133 1.00 16.13 0 B 2 +ATOM 2131 O O . GLN B 1 64 ? 23.116 15.360 9.440 1.00 18.87 0 B 2 +ATOM 2132 C CB . GLN B 1 64 ? 21.739 12.721 9.337 1.00 17.45 0 B 2 +ATOM 2133 C CG . GLN B 1 64 ? 21.112 11.444 8.794 1.00 14.78 0 B 2 +ATOM 2134 C CD . GLN B 1 64 ? 19.662 11.315 9.199 1.00 23.27 0 B 2 +ATOM 2135 N NE2 . GLN B 1 64 ? 19.023 10.229 8.794 1.00 24.01 0 B 2 +ATOM 2136 O OE1 . GLN B 1 64 ? 19.131 12.177 9.890 1.00 24.14 0 B 2 +ATOM 2137 N N . SER B 1 65 ? 21.047 16.213 9.333 1.00 12.73 0 B 2 +ATOM 2138 C CA . SER B 1 65 ? 21.408 17.511 9.886 1.00 12.51 0 B 2 +ATOM 2139 C C . SER B 1 65 ? 22.266 17.449 11.141 1.00 11.81 0 B 2 +ATOM 2140 O O . SER B 1 65 ? 23.238 18.185 11.262 1.00 15.58 0 B 2 +ATOM 2141 C CB . SER B 1 65 ? 20.146 18.332 10.154 1.00 11.16 0 B 2 +ATOM 2142 O OG . SER B 1 65 ? 19.226 17.614 10.953 1.00 11.48 0 B 2 +ATOM 2143 N N . ASN B 1 66 ? 21.928 16.555 12.063 1.00 12.83 0 B 2 +ATOM 2144 C CA . ASN B 1 66 ? 22.695 16.430 13.308 1.00 10.07 0 B 2 +ATOM 2145 C C . ASN B 1 66 ? 24.073 15.852 13.088 1.00 8.03 0 B 2 +ATOM 2146 O O . ASN B 1 66 ? 24.982 16.085 13.891 1.00 13.88 0 B 2 +ATOM 2147 C CB . ASN B 1 66 ? 21.927 15.634 14.364 1.00 11.02 0 B 2 +ATOM 2148 C CG . ASN B 1 66 ? 20.631 16.303 14.776 1.00 4.51 0 B 2 +ATOM 2149 N ND2 . ASN B 1 66 ? 20.730 17.469 15.380 1.00 8.90 0 B 2 +ATOM 2150 O OD1 . ASN B 1 66 ? 19.558 15.765 14.563 1.00 13.67 0 B 2 +ATOM 2151 N N . THR B 1 67 ? 24.239 15.100 12.008 1.00 11.64 0 B 2 +ATOM 2152 C CA . THR B 1 67 ? 25.543 14.536 11.673 1.00 15.35 0 B 2 +ATOM 2153 C C . THR B 1 67 ? 26.384 15.709 11.177 1.00 11.18 0 B 2 +ATOM 2154 O O . THR B 1 67 ? 27.572 15.816 11.479 1.00 15.08 0 B 2 +ATOM 2155 C CB . THR B 1 67 ? 25.426 13.464 10.553 1.00 12.27 0 B 2 +ATOM 2156 C CG2 . THR B 1 67 ? 26.800 13.038 10.054 1.00 12.54 0 B 2 +ATOM 2157 O OG1 . THR B 1 67 ? 24.746 12.314 11.072 1.00 14.39 0 B 2 +ATOM 2158 N N . ILE B 1 68 ? 25.749 16.615 10.440 1.00 13.26 0 B 2 +ATOM 2159 C CA . ILE B 1 68 ? 26.463 17.772 9.939 1.00 13.39 0 B 2 +ATOM 2160 C C . ILE B 1 68 ? 26.855 18.634 11.135 1.00 14.17 0 B 2 +ATOM 2161 O O . ILE B 1 68 ? 28.020 19.000 11.280 1.00 12.19 0 B 2 +ATOM 2162 C CB . ILE B 1 68 ? 25.597 18.564 8.958 1.00 13.10 0 B 2 +ATOM 2163 C CG1 . ILE B 1 68 ? 25.200 17.657 7.797 1.00 7.65 0 B 2 +ATOM 2164 C CG2 . ILE B 1 68 ? 26.361 19.778 8.442 1.00 6.73 0 B 2 +ATOM 2165 C CD1 . ILE B 1 68 ? 24.051 18.186 6.964 1.00 11.73 0 B 2 +ATOM 2166 N N . LEU B 1 69 ? 25.890 18.885 12.014 1.00 10.14 0 B 2 +ATOM 2167 C CA . LEU B 1 69 ? 26.116 19.667 13.216 1.00 6.69 0 B 2 +ATOM 2168 C C . LEU B 1 69 ? 27.255 19.080 14.037 1.00 11.27 0 B 2 +ATOM 2169 O O . LEU B 1 69 ? 28.217 19.780 14.372 1.00 20.78 0 B 2 +ATOM 2170 C CB . LEU B 1 69 ? 24.850 19.712 14.050 1.00 8.01 0 B 2 +ATOM 2171 C CG . LEU B 1 69 ? 23.809 20.715 13.580 1.00 14.20 0 B 2 +ATOM 2172 C CD1 . LEU B 1 69 ? 22.548 20.547 14.427 1.00 8.39 0 B 2 +ATOM 2173 C CD2 . LEU B 1 69 ? 24.375 22.147 13.717 1.00 15.97 0 B 2 +ATOM 2174 N N . ARG B 1 70 ? 27.189 17.785 14.318 1.00 12.45 0 B 2 +ATOM 2175 C CA . ARG B 1 70 ? 28.242 17.149 15.092 1.00 12.81 0 B 2 +ATOM 2176 C C . ARG B 1 70 ? 29.572 17.223 14.367 1.00 14.51 0 B 2 +ATOM 2177 O O . ARG B 1 70 ? 30.596 17.547 14.972 1.00 15.19 0 B 2 +ATOM 2178 C CB . ARG B 1 70 ? 27.888 15.700 15.418 1.00 11.01 0 B 2 +ATOM 2179 C CG . ARG B 1 70 ? 26.840 15.594 16.487 1.00 9.96 0 B 2 +ATOM 2180 C CD . ARG B 1 70 ? 26.673 14.176 17.023 1.00 14.20 0 B 2 +ATOM 2181 N NE . ARG B 1 70 ? 25.930 14.232 18.277 1.00 11.80 0 B 2 +ATOM 2182 C CZ . ARG B 1 70 ? 24.611 14.181 18.375 1.00 10.51 0 B 2 +ATOM 2183 N NH1 . ARG B 1 70 ? 23.862 14.028 17.285 1.00 15.75 0 B 2 +ATOM 2184 N NH2 . ARG B 1 70 ? 24.024 14.435 19.533 1.00 13.22 0 B 2 +ATOM 2185 N N . HIS B 1 71 ? 29.555 16.954 13.071 1.00 11.07 0 B 2 +ATOM 2186 C CA . HIS B 1 71 ? 30.776 17.003 12.286 1.00 15.16 0 B 2 +ATOM 2187 C C . HIS B 1 71 ? 31.455 18.373 12.390 1.00 15.92 0 B 2 +ATOM 2188 O O . HIS B 1 71 ? 32.658 18.467 12.634 1.00 19.34 0 B 2 +ATOM 2189 C CB . HIS B 1 71 ? 30.483 16.689 10.819 1.00 15.84 0 B 2 +ATOM 2190 C CG . HIS B 1 71 ? 31.685 16.829 9.941 1.00 14.29 0 B 2 +ATOM 2191 C CD2 . HIS B 1 71 ? 31.958 17.686 8.921 1.00 12.78 0 B 2 +ATOM 2192 N ND1 . HIS B 1 71 ? 32.808 16.044 10.086 1.00 14.54 0 B 2 +ATOM 2193 C CE1 . HIS B 1 71 ? 33.723 16.402 9.205 1.00 13.26 0 B 2 +ATOM 2194 N NE2 . HIS B 1 71 ? 33.221 17.401 8.486 1.00 17.57 0 B 2 +ATOM 2195 N N . LEU B 1 72 ? 30.680 19.427 12.171 1.00 19.01 0 B 2 +ATOM 2196 C CA . LEU B 1 72 ? 31.194 20.796 12.229 1.00 19.67 0 B 2 +ATOM 2197 C C . LEU B 1 72 ? 31.686 21.097 13.639 1.00 19.24 0 B 2 +ATOM 2198 O O . LEU B 1 72 ? 32.732 21.716 13.823 1.00 16.98 0 B 2 +ATOM 2199 C CB . LEU B 1 72 ? 30.077 21.780 11.851 1.00 14.89 0 B 2 +ATOM 2200 C CG . LEU B 1 72 ? 30.015 22.416 10.456 1.00 18.28 0 B 2 +ATOM 2201 C CD1 . LEU B 1 72 ? 30.823 21.655 9.425 1.00 15.36 0 B 2 +ATOM 2202 C CD2 . LEU B 1 72 ? 28.550 22.553 10.038 1.00 3.85 0 B 2 +ATOM 2203 N N . GLY B 1 73 ? 30.945 20.626 14.634 1.00 23.32 0 B 2 +ATOM 2204 C CA . GLY B 1 73 ? 31.320 20.864 16.014 1.00 19.52 0 B 2 +ATOM 2205 C C . GLY B 1 73 ? 32.613 20.174 16.389 1.00 19.66 0 B 2 +ATOM 2206 O O . GLY B 1 73 ? 33.426 20.697 17.158 1.00 18.15 0 B 2 +ATOM 2207 N N . ARG B 1 74 ? 32.818 19.001 15.818 1.00 22.42 0 B 2 +ATOM 2208 C CA . ARG B 1 74 ? 34.011 18.224 16.086 1.00 24.70 0 B 2 +ATOM 2209 C C . ARG B 1 74 ? 35.227 18.874 15.420 1.00 24.77 0 B 2 +ATOM 2210 O O . ARG B 1 74 ? 36.221 19.174 16.074 1.00 28.09 0 B 2 +ATOM 2211 C CB . ARG B 1 74 ? 33.789 16.804 15.558 1.00 25.52 0 B 2 +ATOM 2212 C CG . ARG B 1 74 ? 34.702 15.739 16.126 1.00 24.37 0 B 2 +ATOM 2213 C CD . ARG B 1 74 ? 33.933 14.436 16.229 1.00 24.88 0 B 2 +ATOM 2214 N NE . ARG B 1 74 ? 33.117 14.249 15.038 1.00 20.78 0 B 2 +ATOM 2215 C CZ . ARG B 1 74 ? 31.902 13.716 15.019 1.00 16.49 0 B 2 +ATOM 2216 N NH1 . ARG B 1 74 ? 31.314 13.289 16.127 1.00 4.74 0 B 2 +ATOM 2217 N NH2 . ARG B 1 74 ? 31.251 13.653 13.869 1.00 20.10 0 B 2 +ATOM 2218 N N . THR B 1 75 ? 35.096 19.184 14.135 1.00 23.47 0 B 2 +ATOM 2219 C CA . THR B 1 75 ? 36.189 19.774 13.386 1.00 20.60 0 B 2 +ATOM 2220 C C . THR B 1 75 ? 36.477 21.239 13.685 1.00 20.17 0 B 2 +ATOM 2221 O O . THR B 1 75 ? 37.572 21.714 13.397 1.00 23.34 0 B 2 +ATOM 2222 C CB . THR B 1 75 ? 35.945 19.616 11.888 1.00 21.35 0 B 2 +ATOM 2223 C CG2 . THR B 1 75 ? 35.970 18.158 11.516 1.00 12.30 0 B 2 +ATOM 2224 O OG1 . THR B 1 75 ? 34.668 20.166 11.547 1.00 20.74 0 B 2 +ATOM 2225 N N . LEU B 1 76 ? 35.481 21.969 14.186 1.00 20.46 0 B 2 +ATOM 2226 C CA . LEU B 1 76 ? 35.657 23.387 14.500 1.00 15.23 0 B 2 +ATOM 2227 C C . LEU B 1 76 ? 35.861 23.673 15.979 1.00 14.91 0 B 2 +ATOM 2228 O O . LEU B 1 76 ? 36.071 24.826 16.371 1.00 19.71 0 B 2 +ATOM 2229 C CB . LEU B 1 76 ? 34.478 24.220 13.982 1.00 14.56 0 B 2 +ATOM 2230 C CG . LEU B 1 76 ? 34.482 24.760 12.551 1.00 13.06 0 B 2 +ATOM 2231 C CD1 . LEU B 1 76 ? 35.779 24.425 11.833 1.00 15.21 0 B 2 +ATOM 2232 C CD2 . LEU B 1 76 ? 33.317 24.190 11.805 1.00 15.67 0 B 2 +ATOM 2233 N N . GLY B 1 77 ? 35.780 22.641 16.801 1.00 18.34 0 B 2 +ATOM 2234 C CA . GLY B 1 77 ? 35.971 22.829 18.226 1.00 19.68 0 B 2 +ATOM 2235 C C . GLY B 1 77 ? 34.775 23.417 18.954 1.00 22.38 0 B 2 +ATOM 2236 O O . GLY B 1 77 ? 34.945 24.232 19.862 1.00 20.58 0 B 2 +ATOM 2237 N N . LEU B 1 78 ? 33.576 23.001 18.561 1.00 14.63 0 B 2 +ATOM 2238 C CA . LEU B 1 78 ? 32.355 23.464 19.199 1.00 16.75 0 B 2 +ATOM 2239 C C . LEU B 1 78 ? 31.673 22.233 19.822 1.00 17.07 0 B 2 +ATOM 2240 O O . LEU B 1 78 ? 30.448 22.104 19.739 1.00 12.61 0 B 2 +ATOM 2241 C CB . LEU B 1 78 ? 31.435 24.108 18.148 1.00 15.81 0 B 2 +ATOM 2242 C CG . LEU B 1 78 ? 32.167 24.963 17.116 1.00 15.15 0 B 2 +ATOM 2243 C CD1 . LEU B 1 78 ? 31.182 25.423 16.078 1.00 16.96 0 B 2 +ATOM 2244 C CD2 . LEU B 1 78 ? 32.870 26.152 17.762 1.00 7.14 0 B 2 +ATOM 2245 N N . TYR B 1 79 ? 32.450 21.347 20.459 1.00 19.46 0 B 2 +ATOM 2246 C CA . TYR B 1 79 ? 31.906 20.108 21.055 1.00 19.01 0 B 2 +ATOM 2247 C C . TYR B 1 79 ? 32.310 19.913 22.547 1.00 21.35 0 B 2 +ATOM 2248 O O . TYR B 1 79 ? 32.474 18.780 23.004 1.00 22.00 0 B 2 +ATOM 2249 C CB . TYR B 1 79 ? 32.374 18.882 20.232 1.00 18.89 0 B 2 +ATOM 2250 C CG . TYR B 1 79 ? 31.377 17.719 20.052 1.00 10.76 0 B 2 +ATOM 2251 C CD1 . TYR B 1 79 ? 30.567 17.268 21.102 1.00 9.22 0 B 2 +ATOM 2252 C CD2 . TYR B 1 79 ? 31.244 17.072 18.804 1.00 7.06 0 B 2 +ATOM 2253 C CE1 . TYR B 1 79 ? 29.645 16.208 20.915 1.00 11.72 0 B 2 +ATOM 2254 C CE2 . TYR B 1 79 ? 30.324 16.011 18.609 1.00 7.18 0 B 2 +ATOM 2255 C CZ . TYR B 1 79 ? 29.529 15.591 19.684 1.00 13.15 0 B 2 +ATOM 2256 O OH . TYR B 1 79 ? 28.579 14.594 19.561 1.00 15.08 0 B 2 +ATOM 2257 N N . GLY B 1 80 ? 32.454 20.995 23.311 1.00 19.80 0 B 2 +ATOM 2258 C CA . GLY B 1 80 ? 32.829 20.848 24.713 1.00 12.19 0 B 2 +ATOM 2259 C C . GLY B 1 80 ? 34.326 20.773 24.925 1.00 15.73 0 B 2 +ATOM 2260 O O . GLY B 1 80 ? 35.083 20.533 23.974 1.00 15.99 0 B 2 +ATOM 2261 N N . LYS B 1 81 ? 34.773 20.972 26.159 1.00 14.72 0 B 2 +ATOM 2262 C CA . LYS B 1 81 ? 36.201 20.967 26.436 1.00 22.97 0 B 2 +ATOM 2263 C C . LYS B 1 81 ? 36.724 19.584 26.769 1.00 19.89 0 B 2 +ATOM 2264 O O . LYS B 1 81 ? 37.926 19.344 26.766 1.00 19.25 0 B 2 +ATOM 2265 C CB . LYS B 1 81 ? 36.545 21.970 27.551 1.00 30.55 0 B 2 +ATOM 2266 C CG . LYS B 1 81 ? 36.163 21.542 28.960 1.00 31.93 0 B 2 +ATOM 2267 C CD . LYS B 1 81 ? 36.588 22.591 29.978 1.00 37.60 0 B 2 +ATOM 2268 C CE . LYS B 1 81 ? 36.456 22.067 31.401 1.00 40.93 0 B 2 +ATOM 2269 N NZ . LYS B 1 81 ? 35.038 21.786 31.779 1.00 51.28 0 B 2 +ATOM 2270 N N . ASP B 1 82 ? 35.810 18.671 27.059 1.00 21.42 0 B 2 +ATOM 2271 C CA . ASP B 1 82 ? 36.203 17.312 27.379 1.00 25.99 0 B 2 +ATOM 2272 C C . ASP B 1 82 ? 35.063 16.354 27.114 1.00 21.69 0 B 2 +ATOM 2273 O O . ASP B 1 82 ? 33.965 16.775 26.737 1.00 16.34 0 B 2 +ATOM 2274 C CB . ASP B 1 82 ? 36.710 17.186 28.831 1.00 25.13 0 B 2 +ATOM 2275 C CG . ASP B 1 82 ? 35.700 17.666 29.860 1.00 23.40 0 B 2 +ATOM 2276 O OD1 . ASP B 1 82 ? 34.506 17.336 29.763 1.00 24.50 0 B 2 +ATOM 2277 O OD2 . ASP B 1 82 ? 36.118 18.361 30.804 1.00 28.21 0 B 2 +ATOM 2278 N N . GLN B 1 83 ? 35.300 15.080 27.399 1.00 18.02 0 B 2 +ATOM 2279 C CA . GLN B 1 83 ? 34.306 14.049 27.159 1.00 20.57 0 B 2 +ATOM 2280 C C . GLN B 1 83 ? 33.031 14.294 27.935 1.00 22.09 0 B 2 +ATOM 2281 O O . GLN B 1 83 ? 31.936 14.045 27.432 1.00 17.96 0 B 2 +ATOM 2282 C CB . GLN B 1 83 ? 34.876 12.671 27.476 1.00 23.75 0 B 2 +ATOM 2283 C CG . GLN B 1 83 ? 35.956 12.261 26.485 1.00 32.41 0 B 2 +ATOM 2284 C CD . GLN B 1 83 ? 36.462 10.862 26.708 1.00 33.11 0 B 2 +ATOM 2285 N NE2 . GLN B 1 83 ? 36.567 10.466 27.967 1.00 31.37 0 B 2 +ATOM 2286 O OE1 . GLN B 1 83 ? 36.762 10.141 25.762 1.00 31.05 0 B 2 +ATOM 2287 N N . GLN B 1 84 ? 33.173 14.807 29.145 1.00 22.56 0 B 2 +ATOM 2288 C CA . GLN B 1 84 ? 32.025 15.100 29.984 1.00 24.05 0 B 2 +ATOM 2289 C C . GLN B 1 84 ? 31.125 16.139 29.303 1.00 23.71 0 B 2 +ATOM 2290 O O . GLN B 1 84 ? 29.949 15.873 29.039 1.00 23.56 0 B 2 +ATOM 2291 C CB . GLN B 1 84 ? 32.503 15.593 31.345 1.00 28.26 0 B 2 +ATOM 2292 C CG . GLN B 1 84 ? 31.401 15.954 32.301 1.00 37.55 0 B 2 +ATOM 2293 C CD . GLN B 1 84 ? 31.911 16.105 33.712 1.00 43.75 0 B 2 +ATOM 2294 N NE2 . GLN B 1 84 ? 31.823 17.312 34.245 1.00 50.73 0 B 2 +ATOM 2295 O OE1 . GLN B 1 84 ? 32.379 15.144 34.320 1.00 44.98 0 B 2 +ATOM 2296 N N . GLU B 1 85 ? 31.701 17.288 28.953 1.00 16.23 0 B 2 +ATOM 2297 C CA . GLU B 1 85 ? 30.949 18.349 28.296 1.00 17.26 0 B 2 +ATOM 2298 C C . GLU B 1 85 ? 30.374 17.836 26.981 1.00 17.00 0 B 2 +ATOM 2299 O O . GLU B 1 85 ? 29.227 18.139 26.653 1.00 18.48 0 B 2 +ATOM 2300 C CB . GLU B 1 85 ? 31.812 19.590 28.042 1.00 15.96 0 B 2 +ATOM 2301 C CG . GLU B 1 85 ? 32.265 20.281 29.312 1.00 18.26 0 B 2 +ATOM 2302 C CD . GLU B 1 85 ? 32.670 21.726 29.097 1.00 19.69 0 B 2 +ATOM 2303 O OE1 . GLU B 1 85 ? 32.903 22.133 27.935 1.00 14.25 0 B 2 +ATOM 2304 O OE2 . GLU B 1 85 ? 32.762 22.460 30.113 1.00 21.88 0 B 2 +ATOM 2305 N N . ALA B 1 86 ? 31.145 17.012 26.277 1.00 10.35 0 B 2 +ATOM 2306 C CA . ALA B 1 86 ? 30.705 16.432 25.009 1.00 12.38 0 B 2 +ATOM 2307 C C . ALA B 1 86 ? 29.387 15.676 25.202 1.00 15.80 0 B 2 +ATOM 2308 O O . ALA B 1 86 ? 28.463 15.798 24.386 1.00 19.57 0 B 2 +ATOM 2309 C CB . ALA B 1 86 ? 31.767 15.499 24.459 1.00 8.65 0 B 2 +ATOM 2310 N N . ALA B 1 87 ? 29.283 14.925 26.292 1.00 10.48 0 B 2 +ATOM 2311 C CA . ALA B 1 87 ? 28.069 14.169 26.569 1.00 11.28 0 B 2 +ATOM 2312 C C . ALA B 1 87 ? 26.920 15.139 26.850 1.00 10.81 0 B 2 +ATOM 2313 O O . ALA B 1 87 ? 25.790 14.956 26.390 1.00 8.81 0 B 2 +ATOM 2314 C CB . ALA B 1 87 ? 28.284 13.235 27.760 1.00 8.50 0 B 2 +ATOM 2315 N N . LEU B 1 88 ? 27.218 16.180 27.613 1.00 15.07 0 B 2 +ATOM 2316 C CA . LEU B 1 88 ? 26.211 17.172 27.965 1.00 15.81 0 B 2 +ATOM 2317 C C . LEU B 1 88 ? 25.728 17.886 26.710 1.00 14.54 0 B 2 +ATOM 2318 O O . LEU B 1 88 ? 24.537 18.136 26.560 1.00 21.48 0 B 2 +ATOM 2319 C CB . LEU B 1 88 ? 26.780 18.152 29.002 1.00 12.21 0 B 2 +ATOM 2320 C CG . LEU B 1 88 ? 27.138 17.406 30.304 1.00 16.17 0 B 2 +ATOM 2321 C CD1 . LEU B 1 88 ? 27.960 18.257 31.248 1.00 11.56 0 B 2 +ATOM 2322 C CD2 . LEU B 1 88 ? 25.874 16.905 30.987 1.00 4.00 0 B 2 +ATOM 2323 N N . VAL B 1 89 ? 26.635 18.119 25.772 1.00 14.12 0 B 2 +ATOM 2324 C CA . VAL B 1 89 ? 26.290 18.774 24.520 1.00 10.84 0 B 2 +ATOM 2325 C C . VAL B 1 89 ? 25.311 17.899 23.733 1.00 12.72 0 B 2 +ATOM 2326 O O . VAL B 1 89 ? 24.318 18.391 23.175 1.00 12.31 0 B 2 +ATOM 2327 C CB . VAL B 1 89 ? 27.562 19.049 23.671 1.00 13.04 0 B 2 +ATOM 2328 C CG1 . VAL B 1 89 ? 27.184 19.540 22.268 1.00 14.12 0 B 2 +ATOM 2329 C CG2 . VAL B 1 89 ? 28.419 20.108 24.350 1.00 9.48 0 B 2 +ATOM 2330 N N . ASP B 1 90 ? 25.580 16.596 23.712 1.00 13.04 0 B 2 +ATOM 2331 C CA . ASP B 1 90 ? 24.740 15.647 22.992 1.00 12.60 0 B 2 +ATOM 2332 C C . ASP B 1 90 ? 23.372 15.656 23.623 1.00 14.82 0 B 2 +ATOM 2333 O O . ASP B 1 90 ? 22.361 15.743 22.929 1.00 16.20 0 B 2 +ATOM 2334 C CB . ASP B 1 90 ? 25.308 14.218 23.085 1.00 14.73 0 B 2 +ATOM 2335 C CG . ASP B 1 90 ? 26.435 13.960 22.106 1.00 8.94 0 B 2 +ATOM 2336 O OD1 . ASP B 1 90 ? 26.458 14.617 21.050 1.00 11.82 0 B 2 +ATOM 2337 O OD2 . ASP B 1 90 ? 27.278 13.084 22.390 1.00 10.48 0 B 2 +ATOM 2338 N N . MET B 1 91 ? 23.351 15.584 24.951 1.00 15.38 0 B 2 +ATOM 2339 C CA . MET B 1 91 ? 22.116 15.554 25.718 1.00 9.69 0 B 2 +ATOM 2340 C C . MET B 1 91 ? 21.221 16.724 25.365 1.00 6.22 0 B 2 +ATOM 2341 O O . MET B 1 91 ? 20.010 16.558 25.201 1.00 9.91 0 B 2 +ATOM 2342 C CB . MET B 1 91 ? 22.442 15.538 27.201 1.00 7.41 0 B 2 +ATOM 2343 C CG . MET B 1 91 ? 21.266 15.243 28.102 1.00 14.08 0 B 2 +ATOM 2344 S SD . MET B 1 91 ? 21.895 15.024 29.750 1.00 21.25 0 B 2 +ATOM 2345 C CE . MET B 1 91 ? 22.153 16.687 30.211 1.00 26.47 0 B 2 +ATOM 2346 N N . VAL B 1 92 ? 21.811 17.909 25.239 1.00 9.36 0 B 2 +ATOM 2347 C CA . VAL B 1 92 ? 21.050 19.103 24.873 1.00 8.98 0 B 2 +ATOM 2348 C C . VAL B 1 92 ? 20.565 18.963 23.430 1.00 9.84 0 B 2 +ATOM 2349 O O . VAL B 1 92 ? 19.387 19.144 23.142 1.00 9.20 0 B 2 +ATOM 2350 C CB . VAL B 1 92 ? 21.905 20.384 24.943 1.00 9.32 0 B 2 +ATOM 2351 C CG1 . VAL B 1 92 ? 21.174 21.535 24.306 1.00 11.47 0 B 2 +ATOM 2352 C CG2 . VAL B 1 92 ? 22.233 20.713 26.374 1.00 5.81 0 B 2 +ATOM 2353 N N . ASN B 1 93 ? 21.472 18.608 22.530 1.00 11.65 0 B 2 +ATOM 2354 C CA . ASN B 1 93 ? 21.093 18.482 21.137 1.00 10.26 0 B 2 +ATOM 2355 C C . ASN B 1 93 ? 19.982 17.476 20.928 1.00 14.69 0 B 2 +ATOM 2356 O O . ASN B 1 93 ? 19.046 17.736 20.150 1.00 16.87 0 B 2 +ATOM 2357 C CB . ASN B 1 93 ? 22.282 18.132 20.252 1.00 11.24 0 B 2 +ATOM 2358 C CG . ASN B 1 93 ? 22.004 18.430 18.807 1.00 13.05 0 B 2 +ATOM 2359 N ND2 . ASN B 1 93 ? 21.935 19.719 18.482 1.00 9.83 0 B 2 +ATOM 2360 O OD1 . ASN B 1 93 ? 21.776 17.530 17.995 1.00 14.43 0 B 2 +ATOM 2361 N N . ASP B 1 94 ? 20.056 16.341 21.631 1.00 12.39 0 B 2 +ATOM 2362 C CA . ASP B 1 94 ? 19.028 15.295 21.517 1.00 9.81 0 B 2 +ATOM 2363 C C . ASP B 1 94 ? 17.675 15.837 21.956 1.00 10.61 0 B 2 +ATOM 2364 O O . ASP B 1 94 ? 16.646 15.524 21.352 1.00 8.62 0 B 2 +ATOM 2365 C CB . ASP B 1 94 ? 19.389 14.063 22.354 1.00 12.52 0 B 2 +ATOM 2366 C CG . ASP B 1 94 ? 20.554 13.285 21.800 1.00 16.62 0 B 2 +ATOM 2367 O OD1 . ASP B 1 94 ? 21.118 13.686 20.749 1.00 18.12 0 B 2 +ATOM 2368 O OD2 . ASP B 1 94 ? 20.921 12.277 22.422 1.00 23.08 0 B 2 +ATOM 2369 N N . GLY B 1 95 ? 17.680 16.647 23.009 1.00 7.99 0 B 2 +ATOM 2370 C CA . GLY B 1 95 ? 16.439 17.229 23.489 1.00 13.24 0 B 2 +ATOM 2371 C C . GLY B 1 95 ? 15.887 18.192 22.447 1.00 13.84 0 B 2 +ATOM 2372 O O . GLY B 1 95 ? 14.680 18.229 22.209 1.00 9.20 0 B 2 +ATOM 2373 N N . VAL B 1 96 ? 16.774 18.960 21.823 1.00 12.03 0 B 2 +ATOM 2374 C CA . VAL B 1 96 ? 16.376 19.905 20.791 1.00 13.90 0 B 2 +ATOM 2375 C C . VAL B 1 96 ? 15.741 19.109 19.663 1.00 13.45 0 B 2 +ATOM 2376 O O . VAL B 1 96 ? 14.640 19.438 19.206 1.00 19.59 0 B 2 +ATOM 2377 C CB . VAL B 1 96 ? 17.589 20.715 20.255 1.00 17.15 0 B 2 +ATOM 2378 C CG1 . VAL B 1 96 ? 17.169 21.616 19.098 1.00 15.07 0 B 2 +ATOM 2379 C CG2 . VAL B 1 96 ? 18.179 21.575 21.368 1.00 14.81 0 B 2 +ATOM 2380 N N . GLU B 1 97 ? 16.390 18.005 19.286 1.00 14.37 0 B 2 +ATOM 2381 C CA . GLU B 1 97 ? 15.902 17.148 18.199 1.00 16.17 0 B 2 +ATOM 2382 C C . GLU B 1 97 ? 14.502 16.614 18.507 1.00 12.68 0 B 2 +ATOM 2383 O O . GLU B 1 97 ? 13.605 16.672 17.664 1.00 19.00 0 B 2 +ATOM 2384 C CB . GLU B 1 97 ? 16.879 15.991 17.947 1.00 11.80 0 B 2 +ATOM 2385 C CG . GLU B 1 97 ? 16.406 14.963 16.908 1.00 13.83 0 B 2 +ATOM 2386 C CD . GLU B 1 97 ? 16.082 15.550 15.531 1.00 17.77 0 B 2 +ATOM 2387 O OE1 . GLU B 1 97 ? 16.470 16.701 15.233 1.00 15.40 0 B 2 +ATOM 2388 O OE2 . GLU B 1 97 ? 15.425 14.835 14.743 1.00 15.58 0 B 2 +ATOM 2389 N N . ASP B 1 98 ? 14.297 16.161 19.737 1.00 12.38 0 B 2 +ATOM 2390 C CA . ASP B 1 98 ? 13.003 15.647 20.135 1.00 13.84 0 B 2 +ATOM 2391 C C . ASP B 1 98 ? 11.925 16.706 19.941 1.00 13.89 0 B 2 +ATOM 2392 O O . ASP B 1 98 ? 10.830 16.415 19.442 1.00 10.86 0 B 2 +ATOM 2393 C CB . ASP B 1 98 ? 13.024 15.253 21.606 1.00 16.79 0 B 2 +ATOM 2394 C CG . ASP B 1 98 ? 13.632 13.889 21.849 1.00 15.21 0 B 2 +ATOM 2395 O OD1 . ASP B 1 98 ? 14.038 13.211 20.884 1.00 16.02 0 B 2 +ATOM 2396 O OD2 . ASP B 1 98 ? 13.696 13.506 23.030 1.00 23.06 0 B 2 +ATOM 2397 N N . LEU B 1 99 ? 12.208 17.918 20.403 1.00 14.52 0 B 2 +ATOM 2398 C CA . LEU B 1 99 ? 11.238 18.992 20.287 1.00 15.45 0 B 2 +ATOM 2399 C C . LEU B 1 99 ? 11.063 19.434 18.836 1.00 13.07 0 B 2 +ATOM 2400 O O . LEU B 1 99 ? 9.963 19.791 18.424 1.00 12.12 0 B 2 +ATOM 2401 C CB . LEU B 1 99 ? 11.611 20.166 21.204 1.00 13.16 0 B 2 +ATOM 2402 C CG . LEU B 1 99 ? 10.526 21.259 21.317 1.00 18.42 0 B 2 +ATOM 2403 C CD1 . LEU B 1 99 ? 9.139 20.651 21.558 1.00 15.59 0 B 2 +ATOM 2404 C CD2 . LEU B 1 99 ? 10.896 22.217 22.431 1.00 14.72 0 B 2 +ATOM 2405 N N . ARG B 1 100 ? 12.135 19.374 18.055 1.00 11.33 0 B 2 +ATOM 2406 C CA . ARG B 1 100 ? 12.040 19.765 16.652 1.00 14.66 0 B 2 +ATOM 2407 C C . ARG B 1 100 ? 11.149 18.796 15.877 1.00 14.20 0 B 2 +ATOM 2408 O O . ARG B 1 100 ? 10.434 19.200 14.960 1.00 18.91 0 B 2 +ATOM 2409 C CB . ARG B 1 100 ? 13.421 19.834 16.001 1.00 12.71 0 B 2 +ATOM 2410 C CG . ARG B 1 100 ? 13.366 20.363 14.577 1.00 7.31 0 B 2 +ATOM 2411 C CD . ARG B 1 100 ? 14.726 20.391 13.913 1.00 6.50 0 B 2 +ATOM 2412 N NE . ARG B 1 100 ? 15.672 21.276 14.589 1.00 11.92 0 B 2 +ATOM 2413 C CZ . ARG B 1 100 ? 15.663 22.599 14.496 1.00 13.14 0 B 2 +ATOM 2414 N NH1 . ARG B 1 100 ? 14.746 23.208 13.751 1.00 15.16 0 B 2 +ATOM 2415 N NH2 . ARG B 1 100 ? 16.574 23.320 15.135 1.00 11.67 0 B 2 +ATOM 2416 N N . CYS B 1 101 ? 11.193 17.519 16.241 1.00 7.87 0 B 2 +ATOM 2417 C CA . CYS B 1 101 ? 10.370 16.511 15.585 1.00 13.00 0 B 2 +ATOM 2418 C C . CYS B 1 101 ? 8.898 16.767 15.847 1.00 13.01 0 B 2 +ATOM 2419 O O . CYS B 1 101 ? 8.070 16.606 14.945 1.00 14.91 0 B 2 +ATOM 2420 C CB . CYS B 1 101 ? 10.723 15.101 16.058 1.00 14.48 0 B 2 +ATOM 2421 S SG . CYS B 1 101 ? 12.356 14.546 15.547 1.00 22.37 0 B 2 +ATOM 2422 N N . LYS B 1 102 ? 8.572 17.152 17.080 1.00 11.28 0 B 2 +ATOM 2423 C CA . LYS B 1 102 ? 7.185 17.456 17.436 1.00 10.20 0 B 2 +ATOM 2424 C C . LYS B 1 102 ? 6.746 18.710 16.674 1.00 12.22 0 B 2 +ATOM 2425 O O . LYS B 1 102 ? 5.640 18.763 16.133 1.00 20.46 0 B 2 +ATOM 2426 C CB . LYS B 1 102 ? 7.064 17.698 18.936 1.00 15.62 0 B 2 +ATOM 2427 C CG . LYS B 1 102 ? 7.374 16.485 19.782 1.00 22.65 0 B 2 +ATOM 2428 C CD . LYS B 1 102 ? 7.319 16.849 21.258 1.00 26.22 0 B 2 +ATOM 2429 C CE . LYS B 1 102 ? 7.335 15.604 22.128 1.00 31.09 0 B 2 +ATOM 2430 N NZ . LYS B 1 102 ? 7.447 15.928 23.580 1.00 37.97 0 B 2 +ATOM 2431 N N . TYR B 1 103 ? 7.631 19.700 16.608 1.00 16.57 0 B 2 +ATOM 2432 C CA . TYR B 1 103 ? 7.368 20.949 15.898 1.00 14.18 0 B 2 +ATOM 2433 C C . TYR B 1 103 ? 7.108 20.614 14.430 1.00 17.86 0 B 2 +ATOM 2434 O O . TYR B 1 103 ? 6.087 20.999 13.870 1.00 23.77 0 B 2 +ATOM 2435 C CB . TYR B 1 103 ? 8.595 21.854 16.008 1.00 19.00 0 B 2 +ATOM 2436 C CG . TYR B 1 103 ? 8.584 23.089 15.118 1.00 22.64 0 B 2 +ATOM 2437 C CD1 . TYR B 1 103 ? 7.957 24.266 15.528 1.00 16.72 0 B 2 +ATOM 2438 C CD2 . TYR B 1 103 ? 9.210 23.076 13.861 1.00 15.31 0 B 2 +ATOM 2439 C CE1 . TYR B 1 103 ? 7.946 25.402 14.708 1.00 16.96 0 B 2 +ATOM 2440 C CE2 . TYR B 1 103 ? 9.196 24.210 13.038 1.00 16.72 0 B 2 +ATOM 2441 C CZ . TYR B 1 103 ? 8.560 25.362 13.469 1.00 15.87 0 B 2 +ATOM 2442 O OH . TYR B 1 103 ? 8.501 26.460 12.652 1.00 16.12 0 B 2 +ATOM 2443 N N . ILE B 1 104 ? 8.021 19.865 13.826 1.00 16.36 0 B 2 +ATOM 2444 C CA . ILE B 1 104 ? 7.892 19.488 12.440 1.00 11.43 0 B 2 +ATOM 2445 C C . ILE B 1 104 ? 6.565 18.771 12.227 1.00 16.27 0 B 2 +ATOM 2446 O O . ILE B 1 104 ? 5.788 19.116 11.335 1.00 21.02 0 B 2 +ATOM 2447 C CB . ILE B 1 104 ? 9.075 18.617 12.030 1.00 15.23 0 B 2 +ATOM 2448 C CG1 . ILE B 1 104 ? 10.334 19.480 11.940 1.00 13.26 0 B 2 +ATOM 2449 C CG2 . ILE B 1 104 ? 8.790 17.919 10.699 1.00 16.32 0 B 2 +ATOM 2450 C CD1 . ILE B 1 104 ? 11.625 18.693 11.741 1.00 5.97 0 B 2 +ATOM 2451 N N . SER B 1 105 ? 6.269 17.831 13.110 1.00 19.94 0 B 2 +ATOM 2452 C CA . SER B 1 105 ? 5.027 17.075 13.018 1.00 22.11 0 B 2 +ATOM 2453 C C . SER B 1 105 ? 3.825 18.020 13.001 1.00 20.95 0 B 2 +ATOM 2454 O O . SER B 1 105 ? 2.921 17.855 12.192 1.00 12.98 0 B 2 +ATOM 2455 C CB . SER B 1 105 ? 4.917 16.116 14.198 1.00 22.80 0 B 2 +ATOM 2456 O OG . SER B 1 105 ? 3.831 15.243 14.033 1.00 28.87 0 B 2 +ATOM 2457 N N . LEU B 1 106 ? 3.812 19.005 13.892 1.00 19.90 0 B 2 +ATOM 2458 C CA . LEU B 1 106 ? 2.699 19.950 13.929 1.00 21.12 0 B 2 +ATOM 2459 C C . LEU B 1 106 ? 2.588 20.669 12.595 1.00 19.03 0 B 2 +ATOM 2460 O O . LEU B 1 106 ? 1.585 20.568 11.896 1.00 22.25 0 B 2 +ATOM 2461 C CB . LEU B 1 106 ? 2.908 20.983 15.031 1.00 20.42 0 B 2 +ATOM 2462 C CG . LEU B 1 106 ? 1.895 22.141 15.093 1.00 21.59 0 B 2 +ATOM 2463 C CD1 . LEU B 1 106 ? 0.530 21.634 15.549 1.00 15.85 0 B 2 +ATOM 2464 C CD2 . LEU B 1 106 ? 2.418 23.214 16.045 1.00 18.89 0 B 2 +ATOM 2465 N N . ILE B 1 107 ? 3.668 21.337 12.223 1.00 19.23 0 B 2 +ATOM 2466 C CA . ILE B 1 107 ? 3.738 22.111 11.000 1.00 19.98 0 B 2 +ATOM 2467 C C . ILE B 1 107 ? 3.248 21.399 9.759 1.00 18.68 0 B 2 +ATOM 2468 O O . ILE B 1 107 ? 2.576 22.005 8.924 1.00 21.89 0 B 2 +ATOM 2469 C CB . ILE B 1 107 ? 5.181 22.588 10.744 1.00 22.31 0 B 2 +ATOM 2470 C CG1 . ILE B 1 107 ? 5.652 23.469 11.904 1.00 16.47 0 B 2 +ATOM 2471 C CG2 . ILE B 1 107 ? 5.285 23.337 9.407 1.00 22.52 0 B 2 +ATOM 2472 C CD1 . ILE B 1 107 ? 4.816 24.695 12.112 1.00 13.73 0 B 2 +ATOM 2473 N N . TYR B 1 108 ? 3.574 20.115 9.636 1.00 17.22 0 B 2 +ATOM 2474 C CA . TYR B 1 108 ? 3.203 19.333 8.453 1.00 20.06 0 B 2 +ATOM 2475 C C . TYR B 1 108 ? 2.051 18.301 8.636 1.00 21.94 0 B 2 +ATOM 2476 O O . TYR B 1 108 ? 1.342 17.983 7.684 1.00 28.10 0 B 2 +ATOM 2477 C CB . TYR B 1 108 ? 4.482 18.642 7.891 1.00 20.75 0 B 2 +ATOM 2478 C CG . TYR B 1 108 ? 5.598 19.596 7.379 1.00 20.47 0 B 2 +ATOM 2479 C CD1 . TYR B 1 108 ? 5.520 20.182 6.111 1.00 19.86 0 B 2 +ATOM 2480 C CD2 . TYR B 1 108 ? 6.699 19.921 8.170 1.00 22.86 0 B 2 +ATOM 2481 C CE1 . TYR B 1 108 ? 6.480 21.056 5.646 1.00 14.96 0 B 2 +ATOM 2482 C CE2 . TYR B 1 108 ? 7.674 20.802 7.714 1.00 24.86 0 B 2 +ATOM 2483 C CZ . TYR B 1 108 ? 7.544 21.351 6.433 1.00 22.75 0 B 2 +ATOM 2484 O OH . TYR B 1 108 ? 8.504 22.145 5.872 1.00 26.87 0 B 2 +ATOM 2485 N N . THR B 1 109 ? 1.794 17.868 9.865 1.00 27.30 0 B 2 +ATOM 2486 C CA . THR B 1 109 ? 0.761 16.858 10.110 1.00 30.81 0 B 2 +ATOM 2487 C C . THR B 1 109 ? -0.598 17.374 10.539 1.00 30.77 0 B 2 +ATOM 2488 O O . THR B 1 109 ? -1.628 16.905 10.056 1.00 30.62 0 B 2 +ATOM 2489 C CB . THR B 1 109 ? 1.283 15.787 11.086 1.00 29.42 0 B 2 +ATOM 2490 C CG2 . THR B 1 109 ? 0.167 14.894 11.619 1.00 36.15 0 B 2 +ATOM 2491 O OG1 . THR B 1 109 ? 2.247 14.982 10.397 1.00 35.24 0 B 2 +ATOM 2492 N N . ASN B 1 110 ? -0.608 18.335 11.449 1.00 28.95 0 B 2 +ATOM 2493 C CA . ASN B 1 110 ? -1.872 18.890 11.890 1.00 33.26 0 B 2 +ATOM 2494 C C . ASN B 1 110 ? -1.713 20.226 12.575 1.00 32.66 0 B 2 +ATOM 2495 O O . ASN B 1 110 ? -1.934 20.365 13.778 1.00 30.82 0 B 2 +ATOM 2496 C CB . ASN B 1 110 ? -2.663 17.897 12.754 1.00 38.70 0 B 2 +ATOM 2497 C CG . ASN B 1 110 ? -1.934 17.501 14.021 1.00 40.80 0 B 2 +ATOM 2498 N ND2 . ASN B 1 110 ? -0.621 17.319 13.942 1.00 41.82 0 B 2 +ATOM 2499 O OD1 . ASN B 1 110 ? -2.557 17.350 15.066 1.00 39.91 0 B 2 +ATOM 2500 N N . TYR B 1 111 ? -1.362 21.225 11.772 1.00 32.60 0 B 2 +ATOM 2501 C CA . TYR B 1 111 ? -1.164 22.580 12.257 1.00 31.75 0 B 2 +ATOM 2502 C C . TYR B 1 111 ? -2.432 23.184 12.877 1.00 31.60 0 B 2 +ATOM 2503 O O . TYR B 1 111 ? -2.421 23.628 14.020 1.00 33.61 0 B 2 +ATOM 2504 C CB . TYR B 1 111 ? -0.673 23.471 11.122 1.00 24.96 0 B 2 +ATOM 2505 C CG . TYR B 1 111 ? -0.277 24.846 11.593 1.00 27.87 0 B 2 +ATOM 2506 C CD1 . TYR B 1 111 ? -1.238 25.837 11.810 1.00 29.51 0 B 2 +ATOM 2507 C CD2 . TYR B 1 111 ? 1.050 25.150 11.870 1.00 25.98 0 B 2 +ATOM 2508 C CE1 . TYR B 1 111 ? -0.886 27.092 12.293 1.00 30.27 0 B 2 +ATOM 2509 C CE2 . TYR B 1 111 ? 1.415 26.399 12.351 1.00 23.37 0 B 2 +ATOM 2510 C CZ . TYR B 1 111 ? 0.439 27.364 12.563 1.00 30.66 0 B 2 +ATOM 2511 O OH . TYR B 1 111 ? 0.781 28.601 13.049 1.00 31.25 0 B 2 +ATOM 2512 N N . GLU B 1 112 ? -3.531 23.174 12.129 1.00 37.95 0 B 2 +ATOM 2513 C CA . GLU B 1 112 ? -4.787 23.763 12.590 1.00 40.32 0 B 2 +ATOM 2514 C C . GLU B 1 112 ? -5.379 23.105 13.821 1.00 39.96 0 B 2 +ATOM 2515 O O . GLU B 1 112 ? -5.812 23.788 14.748 1.00 37.48 0 B 2 +ATOM 2516 C CB . GLU B 1 112 ? -5.833 23.756 11.470 1.00 45.58 0 B 2 +ATOM 2517 C CG . GLU B 1 112 ? -5.518 24.649 10.279 1.00 57.87 0 B 2 +ATOM 2518 C CD . GLU B 1 112 ? -4.276 24.207 9.516 1.00 66.43 0 B 2 +ATOM 2519 O OE1 . GLU B 1 112 ? -4.153 23.001 9.197 1.00 69.25 0 B 2 +ATOM 2520 O OE2 . GLU B 1 112 ? -3.418 25.070 9.224 1.00 70.22 0 B 2 +ATOM 2521 N N . ALA B 1 113 ? -5.432 21.779 13.809 1.00 39.61 0 B 2 +ATOM 2522 C CA . ALA B 1 113 ? -6.006 21.032 14.924 1.00 39.70 0 B 2 +ATOM 2523 C C . ALA B 1 113 ? -5.135 20.979 16.182 1.00 39.13 0 B 2 +ATOM 2524 O O . ALA B 1 113 ? -5.643 21.147 17.301 1.00 37.61 0 B 2 +ATOM 2525 C CB . ALA B 1 113 ? -6.377 19.618 14.468 1.00 35.64 0 B 2 +ATOM 2526 N N . GLY B 1 114 ? -3.828 20.798 16.004 1.00 34.25 0 B 2 +ATOM 2527 C CA . GLY B 1 114 ? -2.960 20.686 17.160 1.00 32.91 0 B 2 +ATOM 2528 C C . GLY B 1 114 ? -2.219 21.893 17.702 1.00 34.64 0 B 2 +ATOM 2529 O O . GLY B 1 114 ? -1.600 21.790 18.765 1.00 39.67 0 B 2 +ATOM 2530 N N . LYS B 1 115 ? -2.307 23.038 17.033 1.00 29.92 0 B 2 +ATOM 2531 C CA . LYS B 1 115 ? -1.576 24.217 17.489 1.00 27.73 0 B 2 +ATOM 2532 C C . LYS B 1 115 ? -1.880 24.585 18.940 1.00 30.01 0 B 2 +ATOM 2533 O O . LYS B 1 115 ? -0.959 24.805 19.726 1.00 29.24 0 B 2 +ATOM 2534 C CB . LYS B 1 115 ? -1.843 25.409 16.564 1.00 28.93 0 B 2 +ATOM 2535 C CG . LYS B 1 115 ? -0.837 26.549 16.691 1.00 25.87 0 B 2 +ATOM 2536 C CD . LYS B 1 115 ? -1.191 27.659 15.735 1.00 24.67 0 B 2 +ATOM 2537 C CE . LYS B 1 115 ? -0.390 28.915 16.004 1.00 27.13 0 B 2 +ATOM 2538 N NZ . LYS B 1 115 ? 1.055 28.719 15.779 1.00 34.77 0 B 2 +ATOM 2539 N N . ASP B 1 116 ? -3.155 24.596 19.313 1.00 33.95 0 B 2 +ATOM 2540 C CA . ASP B 1 116 ? -3.525 24.954 20.689 1.00 35.51 0 B 2 +ATOM 2541 C C . ASP B 1 116 ? -2.889 24.028 21.704 1.00 29.03 0 B 2 +ATOM 2542 O O . ASP B 1 116 ? -2.236 24.464 22.654 1.00 28.61 0 B 2 +ATOM 2543 C CB . ASP B 1 116 ? -5.045 24.935 20.871 1.00 44.25 0 B 2 +ATOM 2544 C CG . ASP B 1 116 ? -5.750 25.992 20.041 1.00 51.75 0 B 2 +ATOM 2545 O OD1 . ASP B 1 116 ? -5.164 27.075 19.808 1.00 58.31 0 B 2 +ATOM 2546 O OD2 . ASP B 1 116 ? -6.898 25.740 19.619 1.00 58.15 0 B 2 +ATOM 2547 N N . ASP B 1 117 ? -3.052 22.736 21.481 1.00 28.73 0 B 2 +ATOM 2548 C CA . ASP B 1 117 ? -2.493 21.760 22.386 1.00 28.70 0 B 2 +ATOM 2549 C C . ASP B 1 117 ? -0.978 21.843 22.444 1.00 21.76 0 B 2 +ATOM 2550 O O . ASP B 1 117 ? -0.385 21.714 23.510 1.00 20.81 0 B 2 +ATOM 2551 C CB . ASP B 1 117 ? -2.956 20.366 21.988 1.00 29.74 0 B 2 +ATOM 2552 C CG . ASP B 1 117 ? -4.429 20.132 22.300 1.00 35.26 0 B 2 +ATOM 2553 O OD1 . ASP B 1 117 ? -4.985 20.800 23.210 1.00 35.44 0 B 2 +ATOM 2554 O OD2 . ASP B 1 117 ? -5.033 19.268 21.635 1.00 41.24 0 B 2 +ATOM 2555 N N . TYR B 1 118 ? -0.366 22.140 21.307 1.00 23.96 0 B 2 +ATOM 2556 C CA . TYR B 1 118 ? 1.076 22.238 21.219 1.00 19.97 0 B 2 +ATOM 2557 C C . TYR B 1 118 ? 1.578 23.423 22.039 1.00 17.13 0 B 2 +ATOM 2558 O O . TYR B 1 118 ? 2.510 23.297 22.843 1.00 17.96 0 B 2 +ATOM 2559 C CB . TYR B 1 118 ? 1.491 22.380 19.751 1.00 18.94 0 B 2 +ATOM 2560 C CG . TYR B 1 118 ? 2.984 22.273 19.524 1.00 22.33 0 B 2 +ATOM 2561 C CD1 . TYR B 1 118 ? 3.794 23.397 19.583 1.00 18.69 0 B 2 +ATOM 2562 C CD2 . TYR B 1 118 ? 3.587 21.039 19.279 1.00 13.45 0 B 2 +ATOM 2563 C CE1 . TYR B 1 118 ? 5.161 23.297 19.411 1.00 20.36 0 B 2 +ATOM 2564 C CE2 . TYR B 1 118 ? 4.957 20.929 19.105 1.00 16.72 0 B 2 +ATOM 2565 C CZ . TYR B 1 118 ? 5.738 22.076 19.175 1.00 19.14 0 B 2 +ATOM 2566 O OH . TYR B 1 118 ? 7.107 22.029 19.021 1.00 11.54 0 B 2 +ATOM 2567 N N . VAL B 1 119 ? 0.930 24.565 21.847 1.00 23.85 0 B 2 +ATOM 2568 C CA . VAL B 1 119 ? 1.303 25.788 22.539 1.00 25.99 0 B 2 +ATOM 2569 C C . VAL B 1 119 ? 1.066 25.648 24.036 1.00 28.40 0 B 2 +ATOM 2570 O O . VAL B 1 119 ? 1.823 26.195 24.842 1.00 25.88 0 B 2 +ATOM 2571 C CB . VAL B 1 119 ? 0.552 27.007 21.946 1.00 28.98 0 B 2 +ATOM 2572 C CG1 . VAL B 1 119 ? 0.776 28.255 22.806 1.00 29.15 0 B 2 +ATOM 2573 C CG2 . VAL B 1 119 ? 1.016 27.254 20.500 1.00 17.09 0 B 2 +ATOM 2574 N N . LYS B 1 120 ? 0.029 24.897 24.407 1.00 30.15 0 B 2 +ATOM 2575 C CA . LYS B 1 120 ? -0.264 24.670 25.818 1.00 34.33 0 B 2 +ATOM 2576 C C . LYS B 1 120 ? 0.852 23.840 26.437 1.00 30.92 0 B 2 +ATOM 2577 O O . LYS B 1 120 ? 1.265 24.095 27.564 1.00 29.87 0 B 2 +ATOM 2578 C CB . LYS B 1 120 ? -1.598 23.939 25.987 1.00 39.46 0 B 2 +ATOM 2579 C CG . LYS B 1 120 ? -2.811 24.809 25.756 1.00 53.02 0 B 2 +ATOM 2580 C CD . LYS B 1 120 ? -4.067 23.959 25.742 1.00 60.62 0 B 2 +ATOM 2581 C CE . LYS B 1 120 ? -5.319 24.802 25.567 1.00 64.46 0 B 2 +ATOM 2582 N NZ . LYS B 1 120 ? -6.497 23.933 25.258 1.00 70.16 0 B 2 +ATOM 2583 N N . ALA B 1 121 ? 1.363 22.869 25.684 1.00 22.35 0 B 2 +ATOM 2584 C CA . ALA B 1 121 ? 2.428 22.010 26.184 1.00 24.36 0 B 2 +ATOM 2585 C C . ALA B 1 121 ? 3.828 22.630 26.114 1.00 20.41 0 B 2 +ATOM 2586 O O . ALA B 1 121 ? 4.726 22.213 26.848 1.00 24.85 0 B 2 +ATOM 2587 C CB . ALA B 1 121 ? 2.402 20.669 25.444 1.00 20.94 0 B 2 +ATOM 2588 N N . LEU B 1 122 ? 4.005 23.658 25.293 1.00 15.49 0 B 2 +ATOM 2589 C CA . LEU B 1 122 ? 5.314 24.283 25.142 1.00 19.00 0 B 2 +ATOM 2590 C C . LEU B 1 122 ? 6.102 24.596 26.411 1.00 18.30 0 B 2 +ATOM 2591 O O . LEU B 1 122 ? 7.260 24.172 26.541 1.00 23.78 0 B 2 +ATOM 2592 C CB . LEU B 1 122 ? 5.235 25.538 24.263 1.00 14.40 0 B 2 +ATOM 2593 C CG . LEU B 1 122 ? 5.884 25.429 22.880 1.00 17.81 0 B 2 +ATOM 2594 C CD1 . LEU B 1 122 ? 6.131 26.829 22.300 1.00 16.25 0 B 2 +ATOM 2595 C CD2 . LEU B 1 122 ? 7.188 24.657 22.970 1.00 13.02 0 B 2 +ATOM 2596 N N . PRO B 1 123 ? 5.510 25.325 27.364 1.00 18.24 0 B 2 +ATOM 2597 C CA . PRO B 1 123 ? 6.236 25.646 28.598 1.00 19.61 0 B 2 +ATOM 2598 C C . PRO B 1 123 ? 7.035 24.468 29.166 1.00 18.22 0 B 2 +ATOM 2599 O O . PRO B 1 123 ? 8.232 24.584 29.446 1.00 13.70 0 B 2 +ATOM 2600 C CB . PRO B 1 123 ? 5.114 26.081 29.542 1.00 21.71 0 B 2 +ATOM 2601 C CG . PRO B 1 123 ? 4.145 26.740 28.618 1.00 12.17 0 B 2 +ATOM 2602 C CD . PRO B 1 123 ? 4.104 25.787 27.451 1.00 17.58 0 B 2 +ATOM 2603 N N . GLY B 1 124 ? 6.370 23.325 29.263 1.00 20.98 0 B 2 +ATOM 2604 C CA . GLY B 1 124 ? 7.008 22.130 29.779 1.00 20.86 0 B 2 +ATOM 2605 C C . GLY B 1 124 ? 8.130 21.604 28.901 1.00 16.94 0 B 2 +ATOM 2606 O O . GLY B 1 124 ? 9.083 21.007 29.403 1.00 22.74 0 B 2 +ATOM 2607 N N . GLN B 1 125 ? 8.027 21.838 27.595 1.00 15.11 0 B 2 +ATOM 2608 C CA . GLN B 1 125 ? 9.038 21.382 26.653 1.00 15.19 0 B 2 +ATOM 2609 C C . GLN B 1 125 ? 10.251 22.292 26.663 1.00 13.14 0 B 2 +ATOM 2610 O O . GLN B 1 125 ? 11.356 21.868 26.334 1.00 19.56 0 B 2 +ATOM 2611 C CB . GLN B 1 125 ? 8.458 21.335 25.239 1.00 16.11 0 B 2 +ATOM 2612 C CG . GLN B 1 125 ? 7.275 20.389 25.083 1.00 20.92 0 B 2 +ATOM 2613 C CD . GLN B 1 125 ? 7.649 18.949 25.366 1.00 25.52 0 B 2 +ATOM 2614 N NE2 . GLN B 1 125 ? 8.726 18.489 24.746 1.00 26.48 0 B 2 +ATOM 2615 O OE1 . GLN B 1 125 ? 6.984 18.259 26.140 1.00 26.29 0 B 2 +ATOM 2616 N N . LEU B 1 126 ? 10.039 23.552 27.016 1.00 14.89 0 B 2 +ATOM 2617 C CA . LEU B 1 126 ? 11.124 24.530 27.051 1.00 15.96 0 B 2 +ATOM 2618 C C . LEU B 1 126 ? 11.818 24.542 28.399 1.00 17.08 0 B 2 +ATOM 2619 O O . LEU B 1 126 ? 13.022 24.790 28.476 1.00 20.75 0 B 2 +ATOM 2620 C CB . LEU B 1 126 ? 10.588 25.931 26.734 1.00 16.96 0 B 2 +ATOM 2621 C CG . LEU B 1 126 ? 9.995 26.125 25.341 1.00 17.57 0 B 2 +ATOM 2622 C CD1 . LEU B 1 126 ? 9.413 27.536 25.191 1.00 15.98 0 B 2 +ATOM 2623 C CD2 . LEU B 1 126 ? 11.085 25.858 24.309 1.00 20.24 0 B 2 +ATOM 2624 N N . LYS B 1 127 ? 11.054 24.267 29.453 1.00 21.06 0 B 2 +ATOM 2625 C CA . LYS B 1 127 ? 11.562 24.219 30.822 1.00 23.43 0 B 2 +ATOM 2626 C C . LYS B 1 127 ? 12.930 23.530 30.985 1.00 22.54 0 B 2 +ATOM 2627 O O . LYS B 1 127 ? 13.791 24.036 31.710 1.00 22.29 0 B 2 +ATOM 2628 C CB . LYS B 1 127 ? 10.529 23.540 31.719 1.00 28.89 0 B 2 +ATOM 2629 C CG . LYS B 1 127 ? 10.049 24.396 32.876 1.00 37.23 0 B 2 +ATOM 2630 C CD . LYS B 1 127 ? 8.808 23.799 33.506 1.00 42.49 0 B 2 +ATOM 2631 C CE . LYS B 1 127 ? 8.202 24.721 34.545 1.00 47.02 0 B 2 +ATOM 2632 N NZ . LYS B 1 127 ? 6.843 24.245 34.915 1.00 50.63 0 B 2 +ATOM 2633 N N . PRO B 1 128 ? 13.137 22.359 30.340 1.00 19.21 0 B 2 +ATOM 2634 C CA . PRO B 1 128 ? 14.436 21.678 30.470 1.00 17.04 0 B 2 +ATOM 2635 C C . PRO B 1 128 ? 15.660 22.522 30.059 1.00 16.86 0 B 2 +ATOM 2636 O O . PRO B 1 128 ? 16.725 22.448 30.685 1.00 17.37 0 B 2 +ATOM 2637 C CB . PRO B 1 128 ? 14.271 20.462 29.555 1.00 17.39 0 B 2 +ATOM 2638 C CG . PRO B 1 128 ? 12.812 20.150 29.675 1.00 19.10 0 B 2 +ATOM 2639 C CD . PRO B 1 128 ? 12.184 21.527 29.576 1.00 12.84 0 B 2 +ATOM 2640 N N . PHE B 1 129 ? 15.494 23.360 29.042 1.00 15.22 0 B 2 +ATOM 2641 C CA . PHE B 1 129 ? 16.606 24.184 28.564 1.00 17.42 0 B 2 +ATOM 2642 C C . PHE B 1 129 ? 16.895 25.364 29.481 1.00 17.17 0 B 2 +ATOM 2643 O O . PHE B 1 129 ? 18.045 25.770 29.646 1.00 14.35 0 B 2 +ATOM 2644 C CB . PHE B 1 129 ? 16.350 24.604 27.116 1.00 11.90 0 B 2 +ATOM 2645 C CG . PHE B 1 129 ? 16.091 23.442 26.218 1.00 16.61 0 B 2 +ATOM 2646 C CD1 . PHE B 1 129 ? 17.140 22.629 25.791 1.00 17.88 0 B 2 +ATOM 2647 C CD2 . PHE B 1 129 ? 14.792 23.094 25.868 1.00 17.70 0 B 2 +ATOM 2648 C CE1 . PHE B 1 129 ? 16.894 21.485 25.034 1.00 17.94 0 B 2 +ATOM 2649 C CE2 . PHE B 1 129 ? 14.536 21.944 25.106 1.00 19.09 0 B 2 +ATOM 2650 C CZ . PHE B 1 129 ? 15.589 21.138 24.695 1.00 8.60 0 B 2 +ATOM 2651 N N . GLU B 1 130 ? 15.852 25.866 30.123 1.00 17.70 0 B 2 +ATOM 2652 C CA . GLU B 1 130 ? 15.985 26.974 31.070 1.00 18.86 0 B 2 +ATOM 2653 C C . GLU B 1 130 ? 16.747 26.417 32.295 1.00 18.28 0 B 2 +ATOM 2654 O O . GLU B 1 130 ? 17.729 27.013 32.762 1.00 19.21 0 B 2 +ATOM 2655 C CB . GLU B 1 130 ? 14.579 27.499 31.440 1.00 18.24 0 B 2 +ATOM 2656 C CG . GLU B 1 130 ? 14.510 28.643 32.458 1.00 19.04 0 B 2 +ATOM 2657 C CD . GLU B 1 130 ? 14.987 29.993 31.934 1.00 20.57 0 B 2 +ATOM 2658 O OE1 . GLU B 1 130 ? 15.338 30.108 30.742 1.00 22.44 0 B 2 +ATOM 2659 O OE2 . GLU B 1 130 ? 15.003 30.949 32.731 1.00 15.29 0 B 2 +ATOM 2660 N N . THR B 1 131 ? 16.358 25.217 32.729 1.00 20.89 0 B 2 +ATOM 2661 C CA . THR B 1 131 ? 16.976 24.544 33.862 1.00 17.30 0 B 2 +ATOM 2662 C C . THR B 1 131 ? 18.452 24.317 33.597 1.00 17.68 0 B 2 +ATOM 2663 O O . THR B 1 131 ? 19.293 24.602 34.453 1.00 22.51 0 B 2 +ATOM 2664 C CB . THR B 1 131 ? 16.289 23.199 34.136 1.00 20.96 0 B 2 +ATOM 2665 C CG2 . THR B 1 131 ? 16.888 22.528 35.371 1.00 23.00 0 B 2 +ATOM 2666 O OG1 . THR B 1 131 ? 14.888 23.417 34.337 1.00 22.20 0 B 2 +ATOM 2667 N N . LEU B 1 132 ? 18.757 23.799 32.411 1.00 16.96 0 B 2 +ATOM 2668 C CA . LEU B 1 132 ? 20.142 23.547 31.995 1.00 20.31 0 B 2 +ATOM 2669 C C . LEU B 1 132 ? 20.949 24.826 32.145 1.00 20.33 0 B 2 +ATOM 2670 O O . LEU B 1 132 ? 22.056 24.832 32.688 1.00 20.23 0 B 2 +ATOM 2671 C CB . LEU B 1 132 ? 20.163 23.120 30.526 1.00 17.56 0 B 2 +ATOM 2672 C CG . LEU B 1 132 ? 19.867 21.647 30.302 1.00 20.00 0 B 2 +ATOM 2673 C CD1 . LEU B 1 132 ? 19.517 21.382 28.858 1.00 16.07 0 B 2 +ATOM 2674 C CD2 . LEU B 1 132 ? 21.095 20.867 30.719 1.00 18.95 0 B 2 +ATOM 2675 N N . LEU B 1 133 ? 20.347 25.915 31.691 1.00 23.10 0 B 2 +ATOM 2676 C CA . LEU B 1 133 ? 20.960 27.224 31.749 1.00 21.20 0 B 2 +ATOM 2677 C C . LEU B 1 133 ? 21.234 27.659 33.192 1.00 19.95 0 B 2 +ATOM 2678 O O . LEU B 1 133 ? 22.335 28.115 33.506 1.00 24.25 0 B 2 +ATOM 2679 C CB . LEU B 1 133 ? 20.059 28.232 31.046 1.00 17.55 0 B 2 +ATOM 2680 C CG . LEU B 1 133 ? 20.647 29.033 29.893 1.00 20.13 0 B 2 +ATOM 2681 C CD1 . LEU B 1 133 ? 21.746 28.256 29.196 1.00 19.19 0 B 2 +ATOM 2682 C CD2 . LEU B 1 133 ? 19.520 29.385 28.919 1.00 12.12 0 B 2 +ATOM 2683 N N . SER B 1 134 ? 20.265 27.496 34.084 1.00 21.03 0 B 2 +ATOM 2684 C CA . SER B 1 134 ? 20.462 27.897 35.475 1.00 22.63 0 B 2 +ATOM 2685 C C . SER B 1 134 ? 21.562 27.098 36.171 1.00 23.34 0 B 2 +ATOM 2686 O O . SER B 1 134 ? 22.098 27.531 37.196 1.00 23.80 0 B 2 +ATOM 2687 C CB . SER B 1 134 ? 19.161 27.771 36.269 1.00 17.88 0 B 2 +ATOM 2688 O OG . SER B 1 134 ? 18.793 26.408 36.416 1.00 25.31 0 B 2 +ATOM 2689 N N . GLN B 1 135 ? 21.891 25.932 35.630 1.00 24.21 0 B 2 +ATOM 2690 C CA . GLN B 1 135 ? 22.927 25.102 36.239 1.00 24.74 0 B 2 +ATOM 2691 C C . GLN B 1 135 ? 24.317 25.380 35.688 1.00 23.07 0 B 2 +ATOM 2692 O O . GLN B 1 135 ? 25.315 24.845 36.180 1.00 25.24 0 B 2 +ATOM 2693 C CB . GLN B 1 135 ? 22.576 23.626 36.090 1.00 22.15 0 B 2 +ATOM 2694 C CG . GLN B 1 135 ? 21.291 23.255 36.786 1.00 28.93 0 B 2 +ATOM 2695 C CD . GLN B 1 135 ? 20.722 21.941 36.294 1.00 33.29 0 B 2 +ATOM 2696 N NE2 . GLN B 1 135 ? 19.763 21.407 37.036 1.00 30.68 0 B 2 +ATOM 2697 O OE1 . GLN B 1 135 ? 21.133 21.413 35.257 1.00 36.02 0 B 2 +ATOM 2698 N N . ASN B 1 136 ? 24.393 26.248 34.693 1.00 24.65 0 B 2 +ATOM 2699 C CA . ASN B 1 136 ? 25.670 26.578 34.085 1.00 23.45 0 B 2 +ATOM 2700 C C . ASN B 1 136 ? 25.952 28.076 34.172 1.00 24.28 0 B 2 +ATOM 2701 O O . ASN B 1 136 ? 25.565 28.846 33.302 1.00 22.10 0 B 2 +ATOM 2702 C CB . ASN B 1 136 ? 25.673 26.103 32.626 1.00 22.01 0 B 2 +ATOM 2703 C CG . ASN B 1 136 ? 26.978 26.384 31.919 1.00 19.62 0 B 2 +ATOM 2704 N ND2 . ASN B 1 136 ? 28.070 26.372 32.663 1.00 21.96 0 B 2 +ATOM 2705 O OD1 . ASN B 1 136 ? 27.015 26.555 30.702 1.00 27.05 0 B 2 +ATOM 2706 N N . GLN B 1 137 ? 26.615 28.484 35.253 1.00 32.94 0 B 2 +ATOM 2707 C CA . GLN B 1 137 ? 26.976 29.882 35.488 1.00 35.56 0 B 2 +ATOM 2708 C C . GLN B 1 137 ? 25.800 30.841 35.410 1.00 34.51 0 B 2 +ATOM 2709 O O . GLN B 1 137 ? 25.911 31.930 34.846 1.00 36.90 0 B 2 +ATOM 2710 C CB . GLN B 1 137 ? 28.060 30.348 34.519 1.00 41.22 0 B 2 +ATOM 2711 C CG . GLN B 1 137 ? 29.379 29.633 34.674 1.00 50.17 0 B 2 +ATOM 2712 C CD . GLN B 1 137 ? 30.504 30.359 33.974 1.00 58.75 0 B 2 +ATOM 2713 N NE2 . GLN B 1 137 ? 31.446 30.869 34.756 1.00 64.72 0 B 2 +ATOM 2714 O OE1 . GLN B 1 137 ? 30.528 30.470 32.744 1.00 63.00 0 B 2 +ATOM 2715 N N . GLY B 1 138 ? 24.660 30.402 35.920 1.00 30.72 0 B 2 +ATOM 2716 C CA . GLY B 1 138 ? 23.481 31.246 35.930 1.00 28.77 0 B 2 +ATOM 2717 C C . GLY B 1 138 ? 22.964 31.613 34.563 1.00 26.54 0 B 2 +ATOM 2718 O O . GLY B 1 138 ? 22.333 32.657 34.406 1.00 27.81 0 B 2 +ATOM 2719 N N . GLY B 1 139 ? 23.256 30.775 33.570 1.00 27.34 0 B 2 +ATOM 2720 C CA . GLY B 1 139 ? 22.786 31.024 32.221 1.00 31.49 0 B 2 +ATOM 2721 C C . GLY B 1 139 ? 23.441 32.208 31.552 1.00 31.30 0 B 2 +ATOM 2722 O O . GLY B 1 139 ? 22.931 32.708 30.554 1.00 34.21 0 B 2 +ATOM 2723 N N . LYS B 1 140 ? 24.588 32.631 32.067 1.00 30.40 0 B 2 +ATOM 2724 C CA . LYS B 1 140 ? 25.299 33.771 31.516 1.00 26.34 0 B 2 +ATOM 2725 C C . LYS B 1 140 ? 26.100 33.485 30.256 1.00 22.39 0 B 2 +ATOM 2726 O O . LYS B 1 140 ? 26.272 34.371 29.426 1.00 27.20 0 B 2 +ATOM 2727 C CB . LYS B 1 140 ? 26.207 34.380 32.584 1.00 34.80 0 B 2 +ATOM 2728 C CG . LYS B 1 140 ? 25.813 35.790 33.006 1.00 45.10 0 B 2 +ATOM 2729 C CD . LYS B 1 140 ? 24.352 35.866 33.433 1.00 55.71 0 B 2 +ATOM 2730 C CE . LYS B 1 140 ? 23.928 37.305 33.694 1.00 61.59 0 B 2 +ATOM 2731 N NZ . LYS B 1 140 ? 22.507 37.371 34.121 1.00 61.43 0 B 2 +ATOM 2732 N N . THR B 1 141 ? 26.593 32.261 30.102 1.00 21.81 0 B 2 +ATOM 2733 C CA . THR B 1 141 ? 27.398 31.936 28.933 1.00 18.45 0 B 2 +ATOM 2734 C C . THR B 1 141 ? 26.710 31.109 27.846 1.00 23.00 0 B 2 +ATOM 2735 O O . THR B 1 141 ? 25.975 31.671 27.025 1.00 22.68 0 B 2 +ATOM 2736 C CB . THR B 1 141 ? 28.736 31.290 29.341 1.00 16.61 0 B 2 +ATOM 2737 C CG2 . THR B 1 141 ? 29.566 32.273 30.142 1.00 11.71 0 B 2 +ATOM 2738 O OG1 . THR B 1 141 ? 28.482 30.130 30.139 1.00 20.20 0 B 2 +ATOM 2739 N N . PHE B 1 142 ? 26.926 29.794 27.836 1.00 19.96 0 B 2 +ATOM 2740 C CA . PHE B 1 142 ? 26.340 28.933 26.815 1.00 16.47 0 B 2 +ATOM 2741 C C . PHE B 1 142 ? 25.537 27.796 27.411 1.00 13.47 0 B 2 +ATOM 2742 O O . PHE B 1 142 ? 25.478 27.668 28.628 1.00 15.59 0 B 2 +ATOM 2743 C CB . PHE B 1 142 ? 27.442 28.416 25.889 1.00 12.29 0 B 2 +ATOM 2744 C CG . PHE B 1 142 ? 28.209 29.521 25.213 1.00 14.33 0 B 2 +ATOM 2745 C CD1 . PHE B 1 142 ? 27.643 30.227 24.146 1.00 14.29 0 B 2 +ATOM 2746 C CD2 . PHE B 1 142 ? 29.455 29.908 25.681 1.00 14.55 0 B 2 +ATOM 2747 C CE1 . PHE B 1 142 ? 28.314 31.297 23.554 1.00 15.53 0 B 2 +ATOM 2748 C CE2 . PHE B 1 142 ? 30.141 30.979 25.095 1.00 16.31 0 B 2 +ATOM 2749 C CZ . PHE B 1 142 ? 29.565 31.679 24.034 1.00 16.20 0 B 2 +ATOM 2750 N N . ILE B 1 143 ? 24.932 26.962 26.571 1.00 14.04 0 B 2 +ATOM 2751 C CA . ILE B 1 143 ? 24.110 25.874 27.098 1.00 13.69 0 B 2 +ATOM 2752 C C . ILE B 1 143 ? 24.909 24.841 27.903 1.00 14.12 0 B 2 +ATOM 2753 O O . ILE B 1 143 ? 24.372 24.203 28.811 1.00 14.14 0 B 2 +ATOM 2754 C CB . ILE B 1 143 ? 23.241 25.197 26.006 1.00 5.42 0 B 2 +ATOM 2755 C CG1 . ILE B 1 143 ? 22.171 24.339 26.664 1.00 6.97 0 B 2 +ATOM 2756 C CG2 . ILE B 1 143 ? 24.078 24.371 25.081 1.00 2.54 0 B 2 +ATOM 2757 C CD1 . ILE B 1 143 ? 21.215 25.121 27.548 1.00 10.57 0 B 2 +ATOM 2758 N N . VAL B 1 144 ? 26.188 24.689 27.564 1.00 13.71 0 B 2 +ATOM 2759 C CA . VAL B 1 144 ? 27.082 23.766 28.251 1.00 13.16 0 B 2 +ATOM 2760 C C . VAL B 1 144 ? 28.479 24.376 28.272 1.00 15.36 0 B 2 +ATOM 2761 O O . VAL B 1 144 ? 29.023 24.731 27.222 1.00 17.05 0 B 2 +ATOM 2762 C CB . VAL B 1 144 ? 27.181 22.403 27.525 1.00 12.66 0 B 2 +ATOM 2763 C CG1 . VAL B 1 144 ? 28.320 21.576 28.124 1.00 7.81 0 B 2 +ATOM 2764 C CG2 . VAL B 1 144 ? 25.861 21.642 27.626 1.00 10.81 0 B 2 +ATOM 2765 N N . GLY B 1 145 ? 29.062 24.461 29.461 1.00 11.07 0 B 2 +ATOM 2766 C CA . GLY B 1 145 ? 30.403 25.009 29.587 1.00 14.99 0 B 2 +ATOM 2767 C C . GLY B 1 145 ? 30.481 26.500 29.321 1.00 14.24 0 B 2 +ATOM 2768 O O . GLY B 1 145 ? 29.464 27.195 29.341 1.00 13.15 0 B 2 +ATOM 2769 N N . ASP B 1 146 ? 31.688 27.002 29.087 1.00 21.64 0 B 2 +ATOM 2770 C CA . ASP B 1 146 ? 31.864 28.428 28.837 1.00 29.49 0 B 2 +ATOM 2771 C C . ASP B 1 146 ? 32.226 28.794 27.399 1.00 27.00 0 B 2 +ATOM 2772 O O . ASP B 1 146 ? 32.533 29.946 27.096 1.00 28.71 0 B 2 +ATOM 2773 C CB . ASP B 1 146 ? 32.890 29.009 29.813 1.00 34.77 0 B 2 +ATOM 2774 C CG . ASP B 1 146 ? 34.194 28.235 29.824 1.00 41.89 0 B 2 +ATOM 2775 O OD1 . ASP B 1 146 ? 34.577 27.645 28.786 1.00 47.12 0 B 2 +ATOM 2776 O OD2 . ASP B 1 146 ? 34.844 28.227 30.891 1.00 49.55 0 B 2 +ATOM 2777 N N . GLN B 1 147 ? 32.202 27.803 26.519 1.00 25.29 0 B 2 +ATOM 2778 C CA . GLN B 1 147 ? 32.510 28.027 25.115 1.00 27.54 0 B 2 +ATOM 2779 C C . GLN B 1 147 ? 31.279 27.557 24.343 1.00 25.52 0 B 2 +ATOM 2780 O O . GLN B 1 147 ? 30.567 26.654 24.796 1.00 19.49 0 B 2 +ATOM 2781 C CB . GLN B 1 147 ? 33.749 27.230 24.695 1.00 32.31 0 B 2 +ATOM 2782 C CG . GLN B 1 147 ? 33.707 25.767 25.140 1.00 48.14 0 B 2 +ATOM 2783 C CD . GLN B 1 147 ? 34.821 24.909 24.563 1.00 51.13 0 B 2 +ATOM 2784 N NE2 . GLN B 1 147 ? 34.720 24.572 23.271 1.00 48.56 0 B 2 +ATOM 2785 O OE1 . GLN B 1 147 ? 35.742 24.516 25.285 1.00 51.25 0 B 2 +ATOM 2786 N N . ILE B 1 148 ? 31.024 28.169 23.195 1.00 19.95 0 B 2 +ATOM 2787 C CA . ILE B 1 148 ? 29.858 27.824 22.390 1.00 18.81 0 B 2 +ATOM 2788 C C . ILE B 1 148 ? 29.994 26.441 21.741 1.00 19.26 0 B 2 +ATOM 2789 O O . ILE B 1 148 ? 31.104 25.992 21.471 1.00 18.93 0 B 2 +ATOM 2790 C CB . ILE B 1 148 ? 29.606 28.904 21.311 1.00 16.83 0 B 2 +ATOM 2791 C CG1 . ILE B 1 148 ? 28.132 28.911 20.914 1.00 18.74 0 B 2 +ATOM 2792 C CG2 . ILE B 1 148 ? 30.502 28.661 20.086 1.00 15.01 0 B 2 +ATOM 2793 C CD1 . ILE B 1 148 ? 27.721 30.118 20.121 1.00 14.19 0 B 2 +ATOM 2794 N N . SER B 1 149 ? 28.865 25.777 21.476 1.00 17.66 0 B 2 +ATOM 2795 C CA . SER B 1 149 ? 28.883 24.447 20.871 1.00 18.92 0 B 2 +ATOM 2796 C C . SER B 1 149 ? 27.770 24.337 19.835 1.00 14.12 0 B 2 +ATOM 2797 O O . SER B 1 149 ? 26.837 25.138 19.859 1.00 15.28 0 B 2 +ATOM 2798 C CB . SER B 1 149 ? 28.678 23.378 21.938 1.00 13.52 0 B 2 +ATOM 2799 O OG . SER B 1 149 ? 27.354 23.411 22.433 1.00 18.98 0 B 2 +ATOM 2800 N N . PHE B 1 150 ? 27.812 23.301 19.002 1.00 10.51 0 B 2 +ATOM 2801 C CA . PHE B 1 150 ? 26.778 23.147 17.971 1.00 14.62 0 B 2 +ATOM 2802 C C . PHE B 1 150 ? 25.386 23.070 18.582 1.00 13.35 0 B 2 +ATOM 2803 O O . PHE B 1 150 ? 24.400 23.464 17.956 1.00 17.57 0 B 2 +ATOM 2804 C CB . PHE B 1 150 ? 27.042 21.921 17.077 1.00 13.17 0 B 2 +ATOM 2805 C CG . PHE B 1 150 ? 26.930 20.601 17.789 1.00 14.56 0 B 2 +ATOM 2806 C CD1 . PHE B 1 150 ? 28.036 20.046 18.421 1.00 12.80 0 B 2 +ATOM 2807 C CD2 . PHE B 1 150 ? 25.723 19.915 17.830 1.00 12.22 0 B 2 +ATOM 2808 C CE1 . PHE B 1 150 ? 27.941 18.827 19.077 1.00 12.82 0 B 2 +ATOM 2809 C CE2 . PHE B 1 150 ? 25.623 18.688 18.489 1.00 12.77 0 B 2 +ATOM 2810 C CZ . PHE B 1 150 ? 26.733 18.145 19.117 1.00 12.23 0 B 2 +ATOM 2811 N N . ALA B 1 151 ? 25.308 22.597 19.819 1.00 12.32 0 B 2 +ATOM 2812 C CA . ALA B 1 151 ? 24.023 22.493 20.483 1.00 5.43 0 B 2 +ATOM 2813 C C . ALA B 1 151 ? 23.435 23.882 20.673 1.00 7.58 0 B 2 +ATOM 2814 O O . ALA B 1 151 ? 22.222 24.047 20.603 1.00 14.56 0 B 2 +ATOM 2815 C CB . ALA B 1 151 ? 24.167 21.792 21.806 1.00 7.30 0 B 2 +ATOM 2816 N N . ASP B 1 152 ? 24.291 24.880 20.877 1.00 9.19 0 B 2 +ATOM 2817 C CA . ASP B 1 152 ? 23.825 26.252 21.073 1.00 13.38 0 B 2 +ATOM 2818 C C . ASP B 1 152 ? 23.060 26.752 19.853 1.00 11.24 0 B 2 +ATOM 2819 O O . ASP B 1 152 ? 21.926 27.210 19.967 1.00 20.67 0 B 2 +ATOM 2820 C CB . ASP B 1 152 ? 25.000 27.191 21.317 1.00 13.77 0 B 2 +ATOM 2821 C CG . ASP B 1 152 ? 25.555 27.091 22.715 1.00 18.46 0 B 2 +ATOM 2822 O OD1 . ASP B 1 152 ? 24.822 27.421 23.672 1.00 17.57 0 B 2 +ATOM 2823 O OD2 . ASP B 1 152 ? 26.734 26.704 22.861 1.00 16.84 0 B 2 +ATOM 2824 N N . TYR B 1 153 ? 23.687 26.635 18.687 1.00 10.18 0 B 2 +ATOM 2825 C CA . TYR B 1 153 ? 23.113 27.075 17.411 1.00 14.20 0 B 2 +ATOM 2826 C C . TYR B 1 153 ? 21.807 26.342 17.121 1.00 14.21 0 B 2 +ATOM 2827 O O . TYR B 1 153 ? 20.828 26.951 16.687 1.00 19.16 0 B 2 +ATOM 2828 C CB . TYR B 1 153 ? 24.131 26.867 16.259 1.00 11.06 0 B 2 +ATOM 2829 C CG . TYR B 1 153 ? 25.429 27.689 16.369 1.00 15.33 0 B 2 +ATOM 2830 C CD1 . TYR B 1 153 ? 25.487 29.043 16.003 1.00 12.64 0 B 2 +ATOM 2831 C CD2 . TYR B 1 153 ? 26.613 27.086 16.791 1.00 11.01 0 B 2 +ATOM 2832 C CE1 . TYR B 1 153 ? 26.698 29.758 16.063 1.00 13.54 0 B 2 +ATOM 2833 C CE2 . TYR B 1 153 ? 27.802 27.787 16.851 1.00 15.55 0 B 2 +ATOM 2834 C CZ . TYR B 1 153 ? 27.834 29.110 16.493 1.00 15.26 0 B 2 +ATOM 2835 O OH . TYR B 1 153 ? 29.019 29.766 16.625 1.00 26.37 0 B 2 +ATOM 2836 N N . ASN B 1 154 ? 21.758 25.068 17.475 1.00 11.02 0 B 2 +ATOM 2837 C CA . ASN B 1 154 ? 20.553 24.272 17.262 1.00 12.36 0 B 2 +ATOM 2838 C C . ASN B 1 154 ? 19.450 24.721 18.232 1.00 11.59 0 B 2 +ATOM 2839 O O . ASN B 1 154 ? 18.301 24.958 17.818 1.00 16.37 0 B 2 +ATOM 2840 C CB . ASN B 1 154 ? 20.847 22.780 17.447 1.00 12.52 0 B 2 +ATOM 2841 C CG . ASN B 1 154 ? 19.900 21.897 16.668 1.00 14.34 0 B 2 +ATOM 2842 N ND2 . ASN B 1 154 ? 19.038 22.501 15.858 1.00 11.42 0 B 2 +ATOM 2843 O OD1 . ASN B 1 154 ? 19.955 20.674 16.776 1.00 21.88 0 B 2 +ATOM 2844 N N . LEU B 1 155 ? 19.801 24.890 19.507 1.00 13.04 0 B 2 +ATOM 2845 C CA . LEU B 1 155 ? 18.839 25.338 20.508 1.00 12.57 0 B 2 +ATOM 2846 C C . LEU B 1 155 ? 18.368 26.759 20.167 1.00 14.39 0 B 2 +ATOM 2847 O O . LEU B 1 155 ? 17.185 27.072 20.297 1.00 16.57 0 B 2 +ATOM 2848 C CB . LEU B 1 155 ? 19.455 25.324 21.909 1.00 9.91 0 B 2 +ATOM 2849 C CG . LEU B 1 155 ? 18.537 25.924 22.984 1.00 9.64 0 B 2 +ATOM 2850 C CD1 . LEU B 1 155 ? 17.228 25.143 23.085 1.00 5.79 0 B 2 +ATOM 2851 C CD2 . LEU B 1 155 ? 19.247 25.947 24.304 1.00 13.09 0 B 2 +ATOM 2852 N N . LEU B 1 156 ? 19.293 27.606 19.719 1.00 13.04 0 B 2 +ATOM 2853 C CA . LEU B 1 156 ? 18.954 28.973 19.365 1.00 15.72 0 B 2 +ATOM 2854 C C . LEU B 1 156 ? 17.886 28.943 18.285 1.00 13.78 0 B 2 +ATOM 2855 O O . LEU B 1 156 ? 16.836 29.576 18.429 1.00 19.57 0 B 2 +ATOM 2856 C CB . LEU B 1 156 ? 20.175 29.730 18.850 1.00 14.52 0 B 2 +ATOM 2857 C CG . LEU B 1 156 ? 19.832 31.143 18.355 1.00 12.15 0 B 2 +ATOM 2858 C CD1 . LEU B 1 156 ? 19.149 31.901 19.460 1.00 10.71 0 B 2 +ATOM 2859 C CD2 . LEU B 1 156 ? 21.098 31.863 17.897 1.00 11.55 0 B 2 +ATOM 2860 N N . ASP B 1 157 ? 18.119 28.158 17.238 1.00 13.43 0 B 2 +ATOM 2861 C CA . ASP B 1 157 ? 17.150 28.066 16.156 1.00 13.19 0 B 2 +ATOM 2862 C C . ASP B 1 157 ? 15.813 27.566 16.657 1.00 15.76 0 B 2 +ATOM 2863 O O . ASP B 1 157 ? 14.764 28.126 16.312 1.00 14.69 0 B 2 +ATOM 2864 C CB . ASP B 1 157 ? 17.641 27.154 15.041 1.00 13.71 0 B 2 +ATOM 2865 C CG . ASP B 1 157 ? 16.658 27.076 13.895 1.00 16.58 0 B 2 +ATOM 2866 O OD1 . ASP B 1 157 ? 16.411 28.118 13.260 1.00 20.52 0 B 2 +ATOM 2867 O OD2 . ASP B 1 157 ? 16.100 25.989 13.656 1.00 16.71 0 B 2 +ATOM 2868 N N . LEU B 1 158 ? 15.841 26.524 17.483 1.00 13.29 0 B 2 +ATOM 2869 C CA . LEU B 1 158 ? 14.611 25.974 18.026 1.00 10.71 0 B 2 +ATOM 2870 C C . LEU B 1 158 ? 13.844 27.121 18.688 1.00 14.58 0 B 2 +ATOM 2871 O O . LEU B 1 158 ? 12.655 27.346 18.413 1.00 12.64 0 B 2 +ATOM 2872 C CB . LEU B 1 158 ? 14.934 24.911 19.076 1.00 11.71 0 B 2 +ATOM 2873 C CG . LEU B 1 158 ? 13.759 24.107 19.624 1.00 13.22 0 B 2 +ATOM 2874 C CD1 . LEU B 1 158 ? 13.180 23.256 18.500 1.00 16.54 0 B 2 +ATOM 2875 C CD2 . LEU B 1 158 ? 14.228 23.211 20.758 1.00 15.64 0 B 2 +ATOM 2876 N N . LEU B 1 159 ? 14.551 27.863 19.534 1.00 11.92 0 B 2 +ATOM 2877 C CA . LEU B 1 159 ? 13.955 28.978 20.243 1.00 12.01 0 B 2 +ATOM 2878 C C . LEU B 1 159 ? 13.384 29.994 19.271 1.00 11.20 0 B 2 +ATOM 2879 O O . LEU B 1 159 ? 12.202 30.336 19.341 1.00 18.11 0 B 2 +ATOM 2880 C CB . LEU B 1 159 ? 14.981 29.614 21.169 1.00 9.78 0 B 2 +ATOM 2881 C CG . LEU B 1 159 ? 15.443 28.635 22.265 1.00 10.85 0 B 2 +ATOM 2882 C CD1 . LEU B 1 159 ? 16.471 29.304 23.166 1.00 3.71 0 B 2 +ATOM 2883 C CD2 . LEU B 1 159 ? 14.246 28.146 23.083 1.00 8.70 0 B 2 +ATOM 2884 N N . LEU B 1 160 ? 14.188 30.413 18.312 1.00 12.51 0 B 2 +ATOM 2885 C CA . LEU B 1 160 ? 13.714 31.374 17.330 1.00 14.29 0 B 2 +ATOM 2886 C C . LEU B 1 160 ? 12.431 30.936 16.635 1.00 16.44 0 B 2 +ATOM 2887 O O . LEU B 1 160 ? 11.438 31.669 16.659 1.00 17.78 0 B 2 +ATOM 2888 C CB . LEU B 1 160 ? 14.787 31.659 16.280 1.00 8.44 0 B 2 +ATOM 2889 C CG . LEU B 1 160 ? 16.004 32.432 16.798 1.00 9.43 0 B 2 +ATOM 2890 C CD1 . LEU B 1 160 ? 17.042 32.511 15.708 1.00 11.30 0 B 2 +ATOM 2891 C CD2 . LEU B 1 160 ? 15.614 33.825 17.271 1.00 12.74 0 B 2 +ATOM 2892 N N . ILE B 1 161 ? 12.403 29.715 16.098 1.00 17.98 0 B 2 +ATOM 2893 C CA . ILE B 1 161 ? 11.201 29.287 15.379 1.00 16.60 0 B 2 +ATOM 2894 C C . ILE B 1 161 ? 10.004 29.194 16.284 1.00 18.65 0 B 2 +ATOM 2895 O O . ILE B 1 161 ? 8.870 29.386 15.835 1.00 18.17 0 B 2 +ATOM 2896 C CB . ILE B 1 161 ? 11.375 27.970 14.614 1.00 17.00 0 B 2 +ATOM 2897 C CG1 . ILE B 1 161 ? 11.622 26.809 15.577 1.00 19.08 0 B 2 +ATOM 2898 C CG2 . ILE B 1 161 ? 12.482 28.103 13.596 1.00 13.07 0 B 2 +ATOM 2899 C CD1 . ILE B 1 161 ? 11.993 25.523 14.878 1.00 12.31 0 B 2 +ATOM 2900 N N . HIS B 1 162 ? 10.240 28.958 17.568 1.00 19.39 0 B 2 +ATOM 2901 C CA . HIS B 1 162 ? 9.127 28.885 18.483 1.00 21.06 0 B 2 +ATOM 2902 C C . HIS B 1 162 ? 8.535 30.244 18.808 1.00 17.69 0 B 2 +ATOM 2903 O O . HIS B 1 162 ? 7.331 30.371 18.943 1.00 13.11 0 B 2 +ATOM 2904 C CB . HIS B 1 162 ? 9.474 28.061 19.725 1.00 17.39 0 B 2 +ATOM 2905 C CG . HIS B 1 162 ? 9.343 26.595 19.499 1.00 19.64 0 B 2 +ATOM 2906 C CD2 . HIS B 1 162 ? 8.282 25.758 19.642 1.00 16.21 0 B 2 +ATOM 2907 N ND1 . HIS B 1 162 ? 10.350 25.837 18.949 1.00 16.20 0 B 2 +ATOM 2908 C CE1 . HIS B 1 162 ? 9.916 24.608 18.750 1.00 15.25 0 B 2 +ATOM 2909 N NE2 . HIS B 1 162 ? 8.660 24.536 19.164 1.00 10.85 0 B 2 +ATOM 2910 N N . GLU B 1 163 ? 9.364 31.276 18.812 1.00 15.81 0 B 2 +ATOM 2911 C CA . GLU B 1 163 ? 8.857 32.617 19.095 1.00 25.52 0 B 2 +ATOM 2912 C C . GLU B 1 163 ? 7.866 33.017 18.002 1.00 21.29 0 B 2 +ATOM 2913 O O . GLU B 1 163 ? 6.879 33.691 18.251 1.00 20.65 0 B 2 +ATOM 2914 C CB . GLU B 1 163 ? 9.994 33.647 19.170 1.00 27.23 0 B 2 +ATOM 2915 C CG . GLU B 1 163 ? 10.669 33.744 20.536 1.00 34.34 0 B 2 +ATOM 2916 C CD . GLU B 1 163 ? 9.930 34.655 21.508 1.00 37.64 0 B 2 +ATOM 2917 O OE1 . GLU B 1 163 ? 9.880 35.875 21.248 1.00 39.21 0 B 2 +ATOM 2918 O OE2 . GLU B 1 163 ? 9.432 34.162 22.545 1.00 36.34 0 B 2 +ATOM 2919 N N . VAL B 1 164 ? 8.132 32.564 16.787 1.00 21.83 0 B 2 +ATOM 2920 C CA . VAL B 1 164 ? 7.267 32.855 15.659 1.00 18.91 0 B 2 +ATOM 2921 C C . VAL B 1 164 ? 5.994 32.049 15.804 1.00 21.88 0 B 2 +ATOM 2922 O O . VAL B 1 164 ? 4.895 32.563 15.572 1.00 25.75 0 B 2 +ATOM 2923 C CB . VAL B 1 164 ? 7.946 32.501 14.338 1.00 19.56 0 B 2 +ATOM 2924 C CG1 . VAL B 1 164 ? 6.990 32.641 13.189 1.00 19.33 0 B 2 +ATOM 2925 C CG2 . VAL B 1 164 ? 9.158 33.390 14.126 1.00 17.02 0 B 2 +ATOM 2926 N N . LEU B 1 165 ? 6.143 30.801 16.229 1.00 19.99 0 B 2 +ATOM 2927 C CA . LEU B 1 165 ? 5.000 29.917 16.404 1.00 19.17 0 B 2 +ATOM 2928 C C . LEU B 1 165 ? 4.092 30.395 17.532 1.00 19.58 0 B 2 +ATOM 2929 O O . LEU B 1 165 ? 2.880 30.447 17.384 1.00 17.01 0 B 2 +ATOM 2930 C CB . LEU B 1 165 ? 5.492 28.509 16.706 1.00 20.52 0 B 2 +ATOM 2931 C CG . LEU B 1 165 ? 4.403 27.457 16.903 1.00 22.32 0 B 2 +ATOM 2932 C CD1 . LEU B 1 165 ? 3.667 27.200 15.584 1.00 16.62 0 B 2 +ATOM 2933 C CD2 . LEU B 1 165 ? 5.056 26.192 17.407 1.00 17.85 0 B 2 +ATOM 2934 N N . ALA B 1 166 ? 4.691 30.707 18.671 1.00 20.59 0 B 2 +ATOM 2935 C CA . ALA B 1 166 ? 3.972 31.169 19.836 1.00 13.85 0 B 2 +ATOM 2936 C C . ALA B 1 166 ? 4.686 32.393 20.366 1.00 18.25 0 B 2 +ATOM 2937 O O . ALA B 1 166 ? 5.500 32.293 21.292 1.00 23.89 0 B 2 +ATOM 2938 C CB . ALA B 1 166 ? 3.954 30.089 20.885 1.00 16.69 0 B 2 +ATOM 2939 N N . PRO B 1 167 ? 4.400 33.569 19.790 1.00 22.86 0 B 2 +ATOM 2940 C CA . PRO B 1 167 ? 5.038 34.815 20.235 1.00 26.14 0 B 2 +ATOM 2941 C C . PRO B 1 167 ? 4.988 34.955 21.759 1.00 26.70 0 B 2 +ATOM 2942 O O . PRO B 1 167 ? 3.933 34.772 22.370 1.00 29.22 0 B 2 +ATOM 2943 C CB . PRO B 1 167 ? 4.193 35.899 19.551 1.00 21.52 0 B 2 +ATOM 2944 C CG . PRO B 1 167 ? 3.731 35.224 18.278 1.00 16.71 0 B 2 +ATOM 2945 C CD . PRO B 1 167 ? 3.354 33.835 18.776 1.00 18.57 0 B 2 +ATOM 2946 N N . GLY B 1 168 ? 6.144 35.207 22.367 1.00 25.24 0 B 2 +ATOM 2947 C CA . GLY B 1 168 ? 6.202 35.375 23.805 1.00 21.07 0 B 2 +ATOM 2948 C C . GLY B 1 168 ? 6.370 34.130 24.659 1.00 21.79 0 B 2 +ATOM 2949 O O . GLY B 1 168 ? 6.466 34.231 25.884 1.00 19.89 0 B 2 +ATOM 2950 N N . CYS B 1 169 ? 6.492 32.965 24.033 1.00 23.97 0 B 2 +ATOM 2951 C CA . CYS B 1 169 ? 6.668 31.716 24.779 1.00 24.34 0 B 2 +ATOM 2952 C C . CYS B 1 169 ? 7.935 31.743 25.644 1.00 22.77 0 B 2 +ATOM 2953 O O . CYS B 1 169 ? 8.128 30.898 26.516 1.00 31.69 0 B 2 +ATOM 2954 C CB . CYS B 1 169 ? 6.744 30.551 23.804 1.00 16.41 0 B 2 +ATOM 2955 S SG . CYS B 1 169 ? 7.998 30.829 22.588 1.00 17.08 0 B 2 +ATOM 2956 N N . LEU B 1 170 ? 8.804 32.713 25.398 1.00 24.39 0 B 2 +ATOM 2957 C CA . LEU B 1 170 ? 10.030 32.821 26.172 1.00 20.35 0 B 2 +ATOM 2958 C C . LEU B 1 170 ? 9.920 33.803 27.332 1.00 19.19 0 B 2 +ATOM 2959 O O . LEU B 1 170 ? 10.837 33.919 28.138 1.00 19.72 0 B 2 +ATOM 2960 C CB . LEU B 1 170 ? 11.189 33.192 25.259 1.00 17.15 0 B 2 +ATOM 2961 C CG . LEU B 1 170 ? 12.183 32.079 24.940 1.00 16.80 0 B 2 +ATOM 2962 C CD1 . LEU B 1 170 ? 11.502 30.752 24.734 1.00 10.63 0 B 2 +ATOM 2963 C CD2 . LEU B 1 170 ? 12.971 32.460 23.728 1.00 5.27 0 B 2 +ATOM 2964 N N . ASP B 1 171 ? 8.783 34.483 27.438 1.00 21.29 0 B 2 +ATOM 2965 C CA . ASP B 1 171 ? 8.574 35.448 28.519 1.00 24.45 0 B 2 +ATOM 2966 C C . ASP B 1 171 ? 8.707 34.815 29.899 1.00 23.44 0 B 2 +ATOM 2967 O O . ASP B 1 171 ? 9.242 35.432 30.816 1.00 20.90 0 B 2 +ATOM 2968 C CB . ASP B 1 171 ? 7.199 36.112 28.397 1.00 27.71 0 B 2 +ATOM 2969 C CG . ASP B 1 171 ? 7.102 37.050 27.207 1.00 28.64 0 B 2 +ATOM 2970 O OD1 . ASP B 1 171 ? 8.113 37.236 26.491 1.00 28.32 0 B 2 +ATOM 2971 O OD2 . ASP B 1 171 ? 5.999 37.601 26.985 1.00 31.45 0 B 2 +ATOM 2972 N N . ALA B 1 172 ? 8.237 33.582 30.033 1.00 24.48 0 B 2 +ATOM 2973 C CA . ALA B 1 172 ? 8.308 32.873 31.309 1.00 25.65 0 B 2 +ATOM 2974 C C . ALA B 1 172 ? 9.697 32.286 31.568 1.00 25.01 0 B 2 +ATOM 2975 O O . ALA B 1 172 ? 9.939 31.682 32.619 1.00 23.04 0 B 2 +ATOM 2976 C CB . ALA B 1 172 ? 7.262 31.776 31.350 1.00 30.50 0 B 2 +ATOM 2977 N N . PHE B 1 173 ? 10.617 32.496 30.630 1.00 26.18 0 B 2 +ATOM 2978 C CA . PHE B 1 173 ? 11.962 31.948 30.737 1.00 21.10 0 B 2 +ATOM 2979 C C . PHE B 1 173 ? 13.030 33.005 30.499 1.00 18.78 0 B 2 +ATOM 2980 O O . PHE B 1 173 ? 13.614 33.088 29.421 1.00 20.55 0 B 2 +ATOM 2981 C CB . PHE B 1 173 ? 12.110 30.800 29.742 1.00 21.10 0 B 2 +ATOM 2982 C CG . PHE B 1 173 ? 11.043 29.748 29.887 1.00 23.87 0 B 2 +ATOM 2983 C CD1 . PHE B 1 173 ? 11.038 28.896 30.998 1.00 18.46 0 B 2 +ATOM 2984 C CD2 . PHE B 1 173 ? 10.020 29.643 28.943 1.00 19.08 0 B 2 +ATOM 2985 C CE1 . PHE B 1 173 ? 10.038 27.962 31.170 1.00 14.23 0 B 2 +ATOM 2986 C CE2 . PHE B 1 173 ? 9.008 28.711 29.102 1.00 18.91 0 B 2 +ATOM 2987 C CZ . PHE B 1 173 ? 9.014 27.866 30.221 1.00 25.29 0 B 2 +ATOM 2988 N N . PRO B 1 174 ? 13.346 33.784 31.536 1.00 15.72 0 B 2 +ATOM 2989 C CA . PRO B 1 174 ? 14.341 34.856 31.501 1.00 16.41 0 B 2 +ATOM 2990 C C . PRO B 1 174 ? 15.720 34.444 30.987 1.00 19.36 0 B 2 +ATOM 2991 O O . PRO B 1 174 ? 16.333 35.162 30.185 1.00 21.01 0 B 2 +ATOM 2992 C CB . PRO B 1 174 ? 14.396 35.322 32.959 1.00 16.86 0 B 2 +ATOM 2993 C CG . PRO B 1 174 ? 13.885 34.126 33.738 1.00 16.59 0 B 2 +ATOM 2994 C CD . PRO B 1 174 ? 12.759 33.655 32.882 1.00 14.44 0 B 2 +ATOM 2995 N N . LEU B 1 175 ? 16.224 33.302 31.439 1.00 20.80 0 B 2 +ATOM 2996 C CA . LEU B 1 175 ? 17.527 32.846 30.981 1.00 21.32 0 B 2 +ATOM 2997 C C . LEU B 1 175 ? 17.506 32.579 29.467 1.00 18.16 0 B 2 +ATOM 2998 O O . LEU B 1 175 ? 18.360 33.078 28.740 1.00 13.77 0 B 2 +ATOM 2999 C CB . LEU B 1 175 ? 17.967 31.612 31.775 1.00 23.44 0 B 2 +ATOM 3000 C CG . LEU B 1 175 ? 18.789 31.827 33.058 1.00 21.58 0 B 2 +ATOM 3001 C CD1 . LEU B 1 175 ? 18.549 33.192 33.688 1.00 17.52 0 B 2 +ATOM 3002 C CD2 . LEU B 1 175 ? 18.498 30.712 34.038 1.00 13.25 0 B 2 +ATOM 3003 N N . LEU B 1 176 ? 16.464 31.904 28.991 1.00 17.16 0 B 2 +ATOM 3004 C CA . LEU B 1 176 ? 16.341 31.600 27.563 1.00 17.61 0 B 2 +ATOM 3005 C C . LEU B 1 176 ? 16.238 32.883 26.770 1.00 17.18 0 B 2 +ATOM 3006 O O . LEU B 1 176 ? 16.918 33.037 25.760 1.00 19.88 0 B 2 +ATOM 3007 C CB . LEU B 1 176 ? 15.118 30.713 27.281 1.00 15.69 0 B 2 +ATOM 3008 C CG . LEU B 1 176 ? 15.254 29.249 27.711 1.00 14.41 0 B 2 +ATOM 3009 C CD1 . LEU B 1 176 ? 13.960 28.469 27.424 1.00 11.72 0 B 2 +ATOM 3010 C CD2 . LEU B 1 176 ? 16.442 28.612 27.012 1.00 9.36 0 B 2 +ATOM 3011 N N . SER B 1 177 ? 15.388 33.797 27.228 1.00 15.10 0 B 2 +ATOM 3012 C CA . SER B 1 177 ? 15.203 35.085 26.569 1.00 16.57 0 B 2 +ATOM 3013 C C . SER B 1 177 ? 16.525 35.813 26.443 1.00 18.74 0 B 2 +ATOM 3014 O O . SER B 1 177 ? 16.914 36.205 25.341 1.00 20.73 0 B 2 +ATOM 3015 C CB . SER B 1 177 ? 14.215 35.957 27.346 1.00 16.00 0 B 2 +ATOM 3016 O OG . SER B 1 177 ? 12.921 35.369 27.359 1.00 20.33 0 B 2 +ATOM 3017 N N . ALA B 1 178 ? 17.239 35.961 27.554 1.00 11.58 0 B 2 +ATOM 3018 C CA . ALA B 1 178 ? 18.519 36.654 27.519 1.00 17.06 0 B 2 +ATOM 3019 C C . ALA B 1 178 ? 19.512 35.903 26.634 1.00 14.46 0 B 2 +ATOM 3020 O O . ALA B 1 178 ? 20.284 36.522 25.908 1.00 15.80 0 B 2 +ATOM 3021 C CB . ALA B 1 178 ? 19.071 36.838 28.913 1.00 10.21 0 B 2 +ATOM 3022 N N . TYR B 1 179 ? 19.432 34.577 26.654 1.00 16.71 0 B 2 +ATOM 3023 C CA . TYR B 1 179 ? 20.294 33.711 25.864 1.00 12.14 0 B 2 +ATOM 3024 C C . TYR B 1 179 ? 20.073 34.017 24.385 1.00 7.51 0 B 2 +ATOM 3025 O O . TYR B 1 179 ? 21.018 34.296 23.645 1.00 15.37 0 B 2 +ATOM 3026 C CB . TYR B 1 179 ? 19.963 32.245 26.198 1.00 11.62 0 B 2 +ATOM 3027 C CG . TYR B 1 179 ? 20.612 31.186 25.338 1.00 11.65 0 B 2 +ATOM 3028 C CD1 . TYR B 1 179 ? 21.866 30.647 25.674 1.00 13.48 0 B 2 +ATOM 3029 C CD2 . TYR B 1 179 ? 19.936 30.638 24.241 1.00 10.91 0 B 2 +ATOM 3030 C CE1 . TYR B 1 179 ? 22.419 29.584 24.934 1.00 19.05 0 B 2 +ATOM 3031 C CE2 . TYR B 1 179 ? 20.478 29.575 23.498 1.00 20.66 0 B 2 +ATOM 3032 C CZ . TYR B 1 179 ? 21.717 29.049 23.850 1.00 21.12 0 B 2 +ATOM 3033 O OH . TYR B 1 179 ? 22.235 27.966 23.160 1.00 18.52 0 B 2 +ATOM 3034 N N . VAL B 1 180 ? 18.823 34.013 23.953 1.00 12.90 0 B 2 +ATOM 3035 C CA . VAL B 1 180 ? 18.510 34.299 22.563 1.00 13.81 0 B 2 +ATOM 3036 C C . VAL B 1 180 ? 19.065 35.663 22.162 1.00 20.60 0 B 2 +ATOM 3037 O O . VAL B 1 180 ? 19.788 35.769 21.173 1.00 20.35 0 B 2 +ATOM 3038 C CB . VAL B 1 180 ? 16.997 34.247 22.303 1.00 15.30 0 B 2 +ATOM 3039 C CG1 . VAL B 1 180 ? 16.659 34.798 20.902 1.00 18.53 0 B 2 +ATOM 3040 C CG2 . VAL B 1 180 ? 16.521 32.817 22.427 1.00 16.63 0 B 2 +ATOM 3041 N N . GLY B 1 181 ? 18.767 36.693 22.951 1.00 18.58 0 B 2 +ATOM 3042 C CA . GLY B 1 181 ? 19.261 38.029 22.635 1.00 12.06 0 B 2 +ATOM 3043 C C . GLY B 1 181 ? 20.777 38.063 22.565 1.00 18.34 0 B 2 +ATOM 3044 O O . GLY B 1 181 ? 21.359 38.506 21.574 1.00 22.58 0 B 2 +ATOM 3045 N N . ARG B 1 182 ? 21.421 37.517 23.584 1.00 16.53 0 B 2 +ATOM 3046 C CA . ARG B 1 182 ? 22.872 37.501 23.656 1.00 22.44 0 B 2 +ATOM 3047 C C . ARG B 1 182 ? 23.493 36.843 22.426 1.00 25.73 0 B 2 +ATOM 3048 O O . ARG B 1 182 ? 24.330 37.444 21.742 1.00 27.11 0 B 2 +ATOM 3049 C CB . ARG B 1 182 ? 23.303 36.758 24.912 1.00 19.69 0 B 2 +ATOM 3050 C CG . ARG B 1 182 ? 24.777 36.826 25.223 1.00 21.09 0 B 2 +ATOM 3051 C CD . ARG B 1 182 ? 25.131 35.760 26.252 1.00 22.39 0 B 2 +ATOM 3052 N NE . ARG B 1 182 ? 24.281 35.871 27.419 1.00 22.10 0 B 2 +ATOM 3053 C CZ . ARG B 1 182 ? 23.608 34.870 27.968 1.00 22.91 0 B 2 +ATOM 3054 N NH1 . ARG B 1 182 ? 23.690 33.638 27.474 1.00 16.66 0 B 2 +ATOM 3055 N NH2 . ARG B 1 182 ? 22.789 35.126 28.976 1.00 29.17 0 B 2 +ATOM 3056 N N . LEU B 1 183 ? 23.064 35.619 22.130 1.00 26.25 0 B 2 +ATOM 3057 C CA . LEU B 1 183 ? 23.605 34.904 20.984 1.00 22.67 0 B 2 +ATOM 3058 C C . LEU B 1 183 ? 23.300 35.631 19.680 1.00 18.30 0 B 2 +ATOM 3059 O O . LEU B 1 183 ? 24.168 35.781 18.809 1.00 13.93 0 B 2 +ATOM 3060 C CB . LEU B 1 183 ? 23.053 33.481 20.946 1.00 22.19 0 B 2 +ATOM 3061 C CG . LEU B 1 183 ? 23.669 32.509 21.946 1.00 22.41 0 B 2 +ATOM 3062 C CD1 . LEU B 1 183 ? 23.224 31.093 21.603 1.00 20.64 0 B 2 +ATOM 3063 C CD2 . LEU B 1 183 ? 25.178 32.588 21.847 1.00 19.56 0 B 2 +ATOM 3064 N N . SER B 1 184 ? 22.072 36.107 19.567 1.00 19.36 0 B 2 +ATOM 3065 C CA . SER B 1 184 ? 21.641 36.829 18.381 1.00 20.42 0 B 2 +ATOM 3066 C C . SER B 1 184 ? 22.456 38.104 18.171 1.00 20.33 0 B 2 +ATOM 3067 O O . SER B 1 184 ? 22.525 38.631 17.052 1.00 12.83 0 B 2 +ATOM 3068 C CB . SER B 1 184 ? 20.161 37.168 18.513 1.00 15.74 0 B 2 +ATOM 3069 O OG . SER B 1 184 ? 19.415 35.974 18.651 1.00 16.70 0 B 2 +ATOM 3070 N N . ALA B 1 185 ? 23.063 38.596 19.248 1.00 18.29 0 B 2 +ATOM 3071 C CA . ALA B 1 185 ? 23.863 39.811 19.186 1.00 23.43 0 B 2 +ATOM 3072 C C . ALA B 1 185 ? 25.294 39.585 18.697 1.00 26.18 0 B 2 +ATOM 3073 O O . ALA B 1 185 ? 25.993 40.546 18.346 1.00 24.92 0 B 2 +ATOM 3074 C CB . ALA B 1 185 ? 23.862 40.510 20.542 1.00 20.43 0 B 2 +ATOM 3075 N N . ARG B 1 186 ? 25.742 38.333 18.676 1.00 26.18 0 B 2 +ATOM 3076 C CA . ARG B 1 186 ? 27.095 38.042 18.204 1.00 26.64 0 B 2 +ATOM 3077 C C . ARG B 1 186 ? 27.238 38.612 16.785 1.00 28.41 0 B 2 +ATOM 3078 O O . ARG B 1 186 ? 26.524 38.207 15.865 1.00 30.13 0 B 2 +ATOM 3079 C CB . ARG B 1 186 ? 27.354 36.537 18.250 1.00 23.40 0 B 2 +ATOM 3080 C CG . ARG B 1 186 ? 27.354 35.993 19.670 1.00 18.60 0 B 2 +ATOM 3081 C CD . ARG B 1 186 ? 27.254 34.483 19.700 1.00 20.48 0 B 2 +ATOM 3082 N NE . ARG B 1 186 ? 28.424 33.805 19.145 1.00 25.07 0 B 2 +ATOM 3083 C CZ . ARG B 1 186 ? 29.484 33.416 19.848 1.00 26.64 0 B 2 +ATOM 3084 N NH1 . ARG B 1 186 ? 29.580 33.698 21.139 1.00 19.44 0 B 2 +ATOM 3085 N NH2 . ARG B 1 186 ? 30.482 32.785 19.244 1.00 23.60 0 B 2 +ATOM 3086 N N . PRO B 1 187 ? 28.192 39.535 16.588 1.00 30.59 0 B 2 +ATOM 3087 C CA . PRO B 1 187 ? 28.465 40.207 15.312 1.00 26.44 0 B 2 +ATOM 3088 C C . PRO B 1 187 ? 28.187 39.438 14.018 1.00 21.46 0 B 2 +ATOM 3089 O O . PRO B 1 187 ? 27.262 39.780 13.291 1.00 24.71 0 B 2 +ATOM 3090 C CB . PRO B 1 187 ? 29.930 40.616 15.454 1.00 30.16 0 B 2 +ATOM 3091 C CG . PRO B 1 187 ? 30.019 40.962 16.893 1.00 27.07 0 B 2 +ATOM 3092 C CD . PRO B 1 187 ? 29.272 39.810 17.554 1.00 28.27 0 B 2 +ATOM 3093 N N . LYS B 1 188 ? 28.964 38.396 13.747 1.00 21.60 0 B 2 +ATOM 3094 C CA . LYS B 1 188 ? 28.798 37.609 12.529 1.00 18.43 0 B 2 +ATOM 3095 C C . LYS B 1 188 ? 27.421 36.983 12.428 1.00 18.26 0 B 2 +ATOM 3096 O O . LYS B 1 188 ? 26.824 36.975 11.345 1.00 20.91 0 B 2 +ATOM 3097 C CB . LYS B 1 188 ? 29.874 36.534 12.426 1.00 18.51 0 B 2 +ATOM 3098 C CG . LYS B 1 188 ? 31.272 37.105 12.223 1.00 24.79 0 B 2 +ATOM 3099 C CD . LYS B 1 188 ? 32.341 36.019 12.087 1.00 29.19 0 B 2 +ATOM 3100 C CE . LYS B 1 188 ? 33.746 36.613 12.227 1.00 30.22 0 B 2 +ATOM 3101 N NZ . LYS B 1 188 ? 34.037 37.633 11.184 1.00 37.51 0 B 2 +ATOM 3102 N N . LEU B 1 189 ? 26.889 36.519 13.558 1.00 21.29 0 B 2 +ATOM 3103 C CA . LEU B 1 189 ? 25.562 35.898 13.594 1.00 18.96 0 B 2 +ATOM 3104 C C . LEU B 1 189 ? 24.491 36.936 13.298 1.00 17.64 0 B 2 +ATOM 3105 O O . LEU B 1 189 ? 23.609 36.700 12.471 1.00 21.16 0 B 2 +ATOM 3106 C CB . LEU B 1 189 ? 25.268 35.271 14.964 1.00 20.25 0 B 2 +ATOM 3107 C CG . LEU B 1 189 ? 24.724 33.833 14.947 1.00 20.25 0 B 2 +ATOM 3108 C CD1 . LEU B 1 189 ? 24.113 33.511 16.295 1.00 16.53 0 B 2 +ATOM 3109 C CD2 . LEU B 1 189 ? 23.703 33.634 13.835 1.00 14.65 0 B 2 +ATOM 3110 N N . LYS B 1 190 ? 24.587 38.084 13.964 1.00 14.01 0 B 2 +ATOM 3111 C CA . LYS B 1 190 ? 23.633 39.178 13.799 1.00 16.31 0 B 2 +ATOM 3112 C C . LYS B 1 190 ? 23.533 39.539 12.326 1.00 14.21 0 B 2 +ATOM 3113 O O . LYS B 1 190 ? 22.449 39.499 11.738 1.00 17.24 0 B 2 +ATOM 3114 C CB . LYS B 1 190 ? 24.088 40.396 14.605 1.00 22.64 0 B 2 +ATOM 3115 C CG . LYS B 1 190 ? 23.135 41.580 14.579 1.00 23.47 0 B 2 +ATOM 3116 C CD . LYS B 1 190 ? 23.607 42.635 15.565 1.00 31.13 0 B 2 +ATOM 3117 C CE . LYS B 1 190 ? 22.800 43.911 15.462 1.00 33.37 0 B 2 +ATOM 3118 N NZ . LYS B 1 190 ? 23.175 44.895 16.517 1.00 40.48 0 B 2 +ATOM 3119 N N . ALA B 1 191 ? 24.676 39.824 11.714 1.00 15.99 0 B 2 +ATOM 3120 C CA . ALA B 1 191 ? 24.720 40.178 10.301 1.00 18.03 0 B 2 +ATOM 3121 C C . ALA B 1 191 ? 24.076 39.076 9.451 1.00 20.66 0 B 2 +ATOM 3122 O O . ALA B 1 191 ? 23.297 39.368 8.542 1.00 26.50 0 B 2 +ATOM 3123 C CB . ALA B 1 191 ? 26.157 40.426 9.865 1.00 14.30 0 B 2 +ATOM 3124 N N . PHE B 1 192 ? 24.353 37.816 9.771 1.00 22.15 0 B 2 +ATOM 3125 C CA . PHE B 1 192 ? 23.784 36.708 9.013 1.00 14.39 0 B 2 +ATOM 3126 C C . PHE B 1 192 ? 22.284 36.690 9.173 1.00 11.67 0 B 2 +ATOM 3127 O O . PHE B 1 192 ? 21.540 36.674 8.200 1.00 19.68 0 B 2 +ATOM 3128 C CB . PHE B 1 192 ? 24.348 35.371 9.500 1.00 19.55 0 B 2 +ATOM 3129 C CG . PHE B 1 192 ? 23.697 34.172 8.852 1.00 19.45 0 B 2 +ATOM 3130 C CD1 . PHE B 1 192 ? 23.866 33.919 7.491 1.00 15.14 0 B 2 +ATOM 3131 C CD2 . PHE B 1 192 ? 22.919 33.295 9.607 1.00 17.19 0 B 2 +ATOM 3132 C CE1 . PHE B 1 192 ? 23.270 32.817 6.891 1.00 12.58 0 B 2 +ATOM 3133 C CE2 . PHE B 1 192 ? 22.316 32.186 9.013 1.00 14.15 0 B 2 +ATOM 3134 C CZ . PHE B 1 192 ? 22.495 31.944 7.650 1.00 12.14 0 B 2 +ATOM 3135 N N . LEU B 1 193 ? 21.834 36.745 10.413 1.00 13.49 0 B 2 +ATOM 3136 C CA . LEU B 1 193 ? 20.407 36.690 10.692 1.00 15.50 0 B 2 +ATOM 3137 C C . LEU B 1 193 ? 19.623 37.808 10.042 1.00 19.11 0 B 2 +ATOM 3138 O O . LEU B 1 193 ? 18.421 37.668 9.795 1.00 24.51 0 B 2 +ATOM 3139 C CB . LEU B 1 193 ? 20.166 36.714 12.196 1.00 12.08 0 B 2 +ATOM 3140 C CG . LEU B 1 193 ? 20.586 35.448 12.927 1.00 15.18 0 B 2 +ATOM 3141 C CD1 . LEU B 1 193 ? 20.542 35.684 14.433 1.00 8.36 0 B 2 +ATOM 3142 C CD2 . LEU B 1 193 ? 19.680 34.295 12.508 1.00 6.63 0 B 2 +ATOM 3143 N N . ALA B 1 194 ? 20.285 38.935 9.831 1.00 18.65 0 B 2 +ATOM 3144 C CA . ALA B 1 194 ? 19.635 40.075 9.225 1.00 19.38 0 B 2 +ATOM 3145 C C . ALA B 1 194 ? 19.770 40.047 7.707 1.00 19.83 0 B 2 +ATOM 3146 O O . ALA B 1 194 ? 19.070 40.777 7.003 1.00 23.33 0 B 2 +ATOM 3147 C CB . ALA B 1 194 ? 20.215 41.363 9.806 1.00 15.24 0 B 2 +ATOM 3148 N N . SER B 1 195 ? 20.623 39.167 7.195 1.00 21.13 0 B 2 +ATOM 3149 C CA . SER B 1 195 ? 20.852 39.094 5.757 1.00 17.90 0 B 2 +ATOM 3150 C C . SER B 1 195 ? 19.694 38.461 4.995 1.00 23.92 0 B 2 +ATOM 3151 O O . SER B 1 195 ? 18.961 37.612 5.532 1.00 22.17 0 B 2 +ATOM 3152 C CB . SER B 1 195 ? 22.152 38.344 5.457 1.00 15.47 0 B 2 +ATOM 3153 O OG . SER B 1 195 ? 21.954 36.937 5.484 1.00 21.25 0 B 2 +ATOM 3154 N N . PRO B 1 196 ? 19.515 38.866 3.715 1.00 25.26 0 B 2 +ATOM 3155 C CA . PRO B 1 196 ? 18.454 38.364 2.827 1.00 23.00 0 B 2 +ATOM 3156 C C . PRO B 1 196 ? 18.534 36.855 2.675 1.00 21.73 0 B 2 +ATOM 3157 O O . PRO B 1 196 ? 17.516 36.188 2.501 1.00 18.53 0 B 2 +ATOM 3158 C CB . PRO B 1 196 ? 18.771 39.049 1.497 1.00 24.29 0 B 2 +ATOM 3159 C CG . PRO B 1 196 ? 19.422 40.325 1.919 1.00 20.55 0 B 2 +ATOM 3160 C CD . PRO B 1 196 ? 20.329 39.892 3.031 1.00 15.32 0 B 2 +ATOM 3161 N N . GLU B 1 197 ? 19.761 36.350 2.741 1.00 20.96 0 B 2 +ATOM 3162 C CA . GLU B 1 197 ? 20.090 34.936 2.630 1.00 22.86 0 B 2 +ATOM 3163 C C . GLU B 1 197 ? 19.332 34.101 3.674 1.00 26.46 0 B 2 +ATOM 3164 O O . GLU B 1 197 ? 19.004 32.934 3.446 1.00 21.00 0 B 2 +ATOM 3165 C CB . GLU B 1 197 ? 21.582 34.806 2.862 1.00 26.21 0 B 2 +ATOM 3166 C CG . GLU B 1 197 ? 22.156 33.480 2.549 1.00 28.84 0 B 2 +ATOM 3167 C CD . GLU B 1 197 ? 23.632 33.458 2.813 1.00 25.99 0 B 2 +ATOM 3168 O OE1 . GLU B 1 197 ? 24.301 34.469 2.509 1.00 25.70 0 B 2 +ATOM 3169 O OE2 . GLU B 1 197 ? 24.117 32.429 3.323 1.00 29.94 0 B 2 +ATOM 3170 N N . TYR B 1 198 ? 19.077 34.710 4.827 1.00 27.33 0 B 2 +ATOM 3171 C CA . TYR B 1 198 ? 18.348 34.064 5.904 1.00 19.34 0 B 2 +ATOM 3172 C C . TYR B 1 198 ? 16.914 34.589 5.932 1.00 20.19 0 B 2 +ATOM 3173 O O . TYR B 1 198 ? 15.951 33.828 5.813 1.00 20.35 0 B 2 +ATOM 3174 C CB . TYR B 1 198 ? 19.024 34.371 7.245 1.00 15.45 0 B 2 +ATOM 3175 C CG . TYR B 1 198 ? 18.259 33.890 8.454 1.00 12.17 0 B 2 +ATOM 3176 C CD1 . TYR B 1 198 ? 18.409 32.597 8.922 1.00 9.87 0 B 2 +ATOM 3177 C CD2 . TYR B 1 198 ? 17.384 34.735 9.135 1.00 15.82 0 B 2 +ATOM 3178 C CE1 . TYR B 1 198 ? 17.715 32.141 10.031 1.00 12.46 0 B 2 +ATOM 3179 C CE2 . TYR B 1 198 ? 16.680 34.288 10.258 1.00 21.35 0 B 2 +ATOM 3180 C CZ . TYR B 1 198 ? 16.854 32.985 10.693 1.00 17.33 0 B 2 +ATOM 3181 O OH . TYR B 1 198 ? 16.155 32.514 11.781 1.00 19.87 0 B 2 +ATOM 3182 N N . VAL B 1 199 ? 16.790 35.902 6.068 1.00 19.14 0 B 2 +ATOM 3183 C CA . VAL B 1 199 ? 15.500 36.571 6.150 1.00 19.10 0 B 2 +ATOM 3184 C C . VAL B 1 199 ? 14.498 36.254 5.051 1.00 17.68 0 B 2 +ATOM 3185 O O . VAL B 1 199 ? 13.307 36.154 5.303 1.00 18.04 0 B 2 +ATOM 3186 C CB . VAL B 1 199 ? 15.677 38.113 6.229 1.00 20.97 0 B 2 +ATOM 3187 C CG1 . VAL B 1 199 ? 14.321 38.805 6.211 1.00 20.99 0 B 2 +ATOM 3188 C CG2 . VAL B 1 199 ? 16.428 38.511 7.480 1.00 17.13 0 B 2 +ATOM 3189 N N . ASN B 1 200 ? 14.966 36.102 3.826 1.00 21.55 0 B 2 +ATOM 3190 C CA . ASN B 1 200 ? 14.039 35.841 2.741 1.00 25.18 0 B 2 +ATOM 3191 C C . ASN B 1 200 ? 13.700 34.379 2.477 1.00 24.64 0 B 2 +ATOM 3192 O O . ASN B 1 200 ? 13.071 34.038 1.470 1.00 25.69 0 B 2 +ATOM 3193 C CB . ASN B 1 200 ? 14.494 36.583 1.483 1.00 24.45 0 B 2 +ATOM 3194 C CG . ASN B 1 200 ? 14.482 38.083 1.673 1.00 27.13 0 B 2 +ATOM 3195 N ND2 . ASN B 1 200 ? 15.410 38.779 1.036 1.00 28.21 0 B 2 +ATOM 3196 O OD1 . ASN B 1 200 ? 13.668 38.605 2.437 1.00 23.60 0 B 2 +ATOM 3197 N N . LEU B 1 201 ? 14.100 33.510 3.394 1.00 20.73 0 B 2 +ATOM 3198 C CA . LEU B 1 201 ? 13.821 32.092 3.271 1.00 15.96 0 B 2 +ATOM 3199 C C . LEU B 1 201 ? 12.687 31.771 4.228 1.00 19.98 0 B 2 +ATOM 3200 O O . LEU B 1 201 ? 12.683 32.238 5.367 1.00 25.50 0 B 2 +ATOM 3201 C CB . LEU B 1 201 ? 15.055 31.299 3.682 1.00 15.95 0 B 2 +ATOM 3202 C CG . LEU B 1 201 ? 15.633 30.325 2.665 1.00 18.38 0 B 2 +ATOM 3203 C CD1 . LEU B 1 201 ? 15.924 31.028 1.343 1.00 16.86 0 B 2 +ATOM 3204 C CD2 . LEU B 1 201 ? 16.892 29.696 3.232 1.00 12.46 0 B 2 +ATOM 3205 N N . PRO B 1 202 ? 11.658 31.042 3.758 1.00 18.50 0 B 2 +ATOM 3206 C CA . PRO B 1 202 ? 10.585 30.729 4.707 1.00 15.12 0 B 2 +ATOM 3207 C C . PRO B 1 202 ? 11.149 29.710 5.710 1.00 15.58 0 B 2 +ATOM 3208 O O . PRO B 1 202 ? 12.078 28.957 5.398 1.00 16.38 0 B 2 +ATOM 3209 C CB . PRO B 1 202 ? 9.518 30.101 3.808 1.00 14.29 0 B 2 +ATOM 3210 C CG . PRO B 1 202 ? 10.325 29.430 2.741 1.00 16.63 0 B 2 +ATOM 3211 C CD . PRO B 1 202 ? 11.392 30.463 2.433 1.00 16.20 0 B 2 +ATOM 3212 N N . ILE B 1 203 ? 10.606 29.701 6.922 1.00 14.53 0 B 2 +ATOM 3213 C CA . ILE B 1 203 ? 11.076 28.782 7.943 1.00 18.40 0 B 2 +ATOM 3214 C C . ILE B 1 203 ? 10.831 27.346 7.516 1.00 23.26 0 B 2 +ATOM 3215 O O . ILE B 1 203 ? 11.730 26.496 7.606 1.00 23.19 0 B 2 +ATOM 3216 C CB . ILE B 1 203 ? 10.385 29.049 9.287 1.00 12.52 0 B 2 +ATOM 3217 C CG1 . ILE B 1 203 ? 10.782 30.436 9.785 1.00 13.41 0 B 2 +ATOM 3218 C CG2 . ILE B 1 203 ? 10.775 27.980 10.288 1.00 10.56 0 B 2 +ATOM 3219 C CD1 . ILE B 1 203 ? 10.073 30.882 11.058 1.00 12.66 0 B 2 +ATOM 3220 N N . ASN B 1 204 ? 9.624 27.090 7.023 1.00 26.24 0 B 2 +ATOM 3221 C CA . ASN B 1 204 ? 9.225 25.770 6.568 1.00 19.80 0 B 2 +ATOM 3222 C C . ASN B 1 204 ? 8.805 25.805 5.097 1.00 21.93 0 B 2 +ATOM 3223 O O . ASN B 1 204 ? 8.604 26.865 4.507 1.00 22.04 0 B 2 +ATOM 3224 C CB . ASN B 1 204 ? 8.078 25.233 7.435 1.00 18.30 0 B 2 +ATOM 3225 C CG . ASN B 1 204 ? 8.414 25.234 8.901 1.00 14.35 0 B 2 +ATOM 3226 N ND2 . ASN B 1 204 ? 9.451 24.492 9.274 1.00 7.66 0 B 2 +ATOM 3227 O OD1 . ASN B 1 204 ? 7.771 25.915 9.697 1.00 21.92 0 B 2 +ATOM 3228 N N . GLY B 1 205 ? 8.685 24.622 4.516 1.00 26.54 0 B 2 +ATOM 3229 C CA . GLY B 1 205 ? 8.304 24.502 3.120 1.00 24.22 0 B 2 +ATOM 3230 C C . GLY B 1 205 ? 6.816 24.509 2.810 1.00 26.89 0 B 2 +ATOM 3231 O O . GLY B 1 205 ? 6.438 24.524 1.640 1.00 27.16 0 B 2 +ATOM 3232 N N . ASN B 1 206 ? 5.952 24.449 3.817 1.00 23.46 0 B 2 +ATOM 3233 C CA . ASN B 1 206 ? 4.528 24.462 3.522 1.00 25.80 0 B 2 +ATOM 3234 C C . ASN B 1 206 ? 3.898 25.822 3.817 1.00 28.61 0 B 2 +ATOM 3235 O O . ASN B 1 206 ? 2.678 25.980 3.774 1.00 25.95 0 B 2 +ATOM 3236 C CB . ASN B 1 206 ? 3.793 23.350 4.273 1.00 24.67 0 B 2 +ATOM 3237 C CG . ASN B 1 206 ? 3.733 23.594 5.757 1.00 28.71 0 B 2 +ATOM 3238 N ND2 . ASN B 1 206 ? 2.868 22.856 6.451 1.00 24.47 0 B 2 +ATOM 3239 O OD1 . ASN B 1 206 ? 4.471 24.439 6.283 1.00 27.42 0 B 2 +ATOM 3240 N N . GLY B 1 207 ? 4.734 26.801 4.136 1.00 33.24 0 B 2 +ATOM 3241 C CA . GLY B 1 207 ? 4.220 28.125 4.416 1.00 36.25 0 B 2 +ATOM 3242 C C . GLY B 1 207 ? 3.617 28.300 5.798 1.00 34.91 0 B 2 +ATOM 3243 O O . GLY B 1 207 ? 3.030 29.343 6.076 1.00 38.54 0 B 2 +ATOM 3244 N N . LYS B 1 208 ? 3.750 27.297 6.661 1.00 28.00 0 B 2 +ATOM 3245 C CA . LYS B 1 208 ? 3.220 27.397 8.012 1.00 23.51 0 B 2 +ATOM 3246 C C . LYS B 1 208 ? 4.384 27.631 8.964 1.00 24.82 0 B 2 +ATOM 3247 O O . LYS B 1 208 ? 5.484 27.139 8.732 1.00 26.76 0 B 2 +ATOM 3248 C CB . LYS B 1 208 ? 2.445 26.136 8.369 1.00 25.92 0 B 2 +ATOM 3249 C CG . LYS B 1 208 ? 1.196 25.946 7.518 1.00 30.95 0 B 2 +ATOM 3250 C CD . LYS B 1 208 ? 0.414 24.672 7.877 1.00 34.64 0 B 2 +ATOM 3251 C CE . LYS B 1 208 ? -0.960 24.634 7.186 1.00 35.28 0 B 2 +ATOM 3252 N NZ . LYS B 1 208 ? -1.688 23.358 7.440 1.00 28.67 0 B 2 +ATOM 3253 N N . GLN B 1 209 ? 4.160 28.447 9.988 1.00 24.80 0 B 2 +ATOM 3254 C CA . GLN B 1 209 ? 5.191 28.776 10.963 1.00 22.99 0 B 2 +ATOM 3255 C C . GLN B 1 209 ? 4.507 29.303 12.225 1.00 24.33 0 B 2 +ATOM 3256 O O . GLN B 1 209 ? 5.222 29.649 13.185 1.00 24.66 0 B 2 +ATOM 3257 C CB . GLN B 1 209 ? 6.111 29.861 10.402 1.00 21.13 0 B 2 +ATOM 3258 C CG . GLN B 1 209 ? 5.364 31.102 9.952 1.00 21.64 0 B 2 +ATOM 3259 C CD . GLN B 1 209 ? 6.274 32.270 9.702 1.00 23.83 0 B 2 +ATOM 3260 N NE2 . GLN B 1 209 ? 5.857 33.437 10.160 1.00 29.73 0 B 2 +ATOM 3261 O OE1 . GLN B 1 209 ? 7.347 32.132 9.120 1.00 34.40 0 B 2 +ATOM 3262 O OXT . GLN B 1 209 ? 3.255 29.390 12.227 1.00 27.65 0 B 2 +HETATM 3522 C CA1 . GSH C 2 210 ? 14.620 9.944 24.471 1.00 12.24 0 A 2 +HETATM 3523 C CA2 . GSH C 2 210 ? 9.972 6.870 27.416 1.00 32.10 0 A 2 +HETATM 3524 C CA3 . GSH C 2 210 ? 7.382 7.690 30.058 1.00 35.56 0 A 2 +HETATM 3525 C CB1 . GSH C 2 210 ? 13.269 9.240 24.530 1.00 19.73 0 A 2 +HETATM 3526 C CB2 . GSH C 2 210 ? 10.203 5.355 27.553 1.00 27.26 0 A 2 +HETATM 3527 C CG1 . GSH C 2 210 ? 12.953 8.661 25.906 1.00 25.96 0 A 2 +HETATM 3528 S SG2 . GSH C 2 210 ? 11.445 4.702 26.376 1.00 43.56 0 A 2 +HETATM 3529 C CD1 . GSH C 2 210 ? 11.578 8.022 25.987 1.00 30.29 0 A 2 +HETATM 3530 O OE1 . GSH C 2 210 ? 10.797 8.038 25.025 1.00 26.53 0 A 2 +HETATM 3531 C C1 . GSH C 2 210 ? 15.748 8.912 24.456 1.00 15.73 0 A 2 +HETATM 3532 N N1 . GSH C 2 210 ? 14.709 10.782 23.252 1.00 12.57 0 A 2 +HETATM 3533 C C2 . GSH C 2 210 ? 9.367 7.393 28.719 1.00 28.29 0 A 2 +HETATM 3534 N N2 . GSH C 2 210 ? 11.247 7.534 27.175 1.00 29.63 0 A 2 +HETATM 3535 O O2 . GSH C 2 210 ? 10.085 7.888 29.591 1.00 18.94 0 A 2 +HETATM 3536 C C3 . GSH C 2 210 ? 6.900 9.118 30.069 1.00 41.30 0 A 2 +HETATM 3537 N N3 . GSH C 2 210 ? 8.051 7.277 28.838 1.00 32.79 0 A 2 +HETATM 3538 O O11 . GSH C 2 210 ? 16.085 8.401 25.541 1.00 14.21 0 A 2 +HETATM 3539 O O12 . GSH C 2 210 ? 16.313 8.642 23.367 1.00 18.12 0 A 2 +HETATM 3540 O O31 . GSH C 2 210 ? 6.006 9.422 30.887 1.00 43.58 0 A 2 +HETATM 3541 O O32 . GSH C 2 210 ? 7.395 9.927 29.254 1.00 45.39 0 A 2 +HETATM 3542 O O . EAA D 3 211 ? 4.749 -0.572 30.486 0.60 58.18 0 A 2 +HETATM 3543 CL CL1 . EAA D 3 211 ? 7.876 1.145 28.984 0.60 47.50 0 A 2 +HETATM 3544 CL CL2 . EAA D 3 211 ? 9.523 2.135 26.645 0.60 47.26 0 A 2 +HETATM 3545 O OXT . EAA D 3 211 ? 2.804 0.354 30.925 0.60 58.96 0 A 2 +HETATM 3546 C C1 . EAA D 3 211 ? 5.792 2.737 28.081 0.60 44.16 0 A 2 +HETATM 3547 O O1 . EAA D 3 211 ? 7.585 5.197 23.931 0.60 29.23 0 A 2 +HETATM 3548 C C2 . EAA D 3 211 ? 7.126 2.310 27.876 0.60 42.93 0 A 2 +HETATM 3549 O O2 . EAA D 3 211 ? 5.105 2.179 29.165 0.60 48.44 0 A 2 +HETATM 3550 C C3 . EAA D 3 211 ? 7.888 2.804 26.805 0.60 40.98 0 A 2 +HETATM 3551 C C4 . EAA D 3 211 ? 7.323 3.776 25.899 0.60 39.07 0 A 2 +HETATM 3552 C C5 . EAA D 3 211 ? 5.988 4.198 26.130 0.60 39.84 0 A 2 +HETATM 3553 C C6 . EAA D 3 211 ? 5.243 3.689 27.199 0.60 40.30 0 A 2 +HETATM 3554 C C7 . EAA D 3 211 ? 8.095 4.372 24.703 0.60 35.56 0 A 2 +HETATM 3555 C C8 . EAA D 3 211 ? 9.610 3.985 24.411 0.60 33.23 0 A 2 +HETATM 3556 C C9 . EAA D 3 211 ? 9.877 3.313 23.052 0.60 38.08 0 A 2 +HETATM 3557 C C10 . EAA D 3 211 ? 11.186 2.516 22.922 0.60 27.69 0 A 2 +HETATM 3558 C C11 . EAA D 3 211 ? 10.673 5.025 24.773 0.60 37.58 0 A 2 +HETATM 3559 C C12 . EAA D 3 211 ? 4.021 1.197 29.035 0.60 52.14 0 A 2 +HETATM 3560 C C13 . EAA D 3 211 ? 3.853 0.273 30.243 0.60 56.88 0 A 2 +HETATM 3561 O O1 . MES E 4 212 ? 22.491 -6.351 35.913 1.00 38.43 0 A 2 +HETATM 3562 O O1S . MES E 4 212 ? 28.182 -8.205 31.032 1.00 51.85 0 A 2 +HETATM 3563 C C2 . MES E 4 212 ? 23.092 -5.558 34.837 1.00 35.66 0 A 2 +HETATM 3564 O O2S . MES E 4 212 ? 26.793 -10.400 31.060 1.00 41.86 0 A 2 +HETATM 3565 C C3 . MES E 4 212 ? 24.418 -6.194 34.354 1.00 39.12 0 A 2 +HETATM 3566 O O3S . MES E 4 212 ? 28.166 -9.663 33.185 1.00 48.20 0 A 2 +HETATM 3567 N N4 . MES E 4 212 ? 24.414 -7.735 34.545 1.00 40.51 0 A 2 +HETATM 3568 C C5 . MES E 4 212 ? 24.120 -8.179 36.004 1.00 33.84 0 A 2 +HETATM 3569 C C6 . MES E 4 212 ? 23.423 -7.046 36.787 1.00 32.09 0 A 2 +HETATM 3570 C C7 . MES E 4 212 ? 25.704 -8.356 34.000 1.00 36.92 0 A 2 +HETATM 3571 C C8 . MES E 4 212 ? 25.832 -8.227 32.481 1.00 39.29 0 A 2 +HETATM 3572 S S . MES E 4 212 ? 27.244 -9.136 31.902 1.00 36.44 0 A 2 +HETATM 3573 C CA1 . GSH F 2 210 ? 17.016 13.766 8.687 1.00 27.78 0 B 2 +HETATM 3574 C CA2 . GSH F 2 210 ? 13.153 16.100 4.329 1.00 35.43 0 B 2 +HETATM 3575 C CA3 . GSH F 2 210 ? 11.681 15.208 0.956 1.00 37.17 0 B 2 +HETATM 3576 C CB1 . GSH F 2 210 ? 15.663 14.035 8.036 1.00 30.83 0 B 2 +HETATM 3577 C CB2 . GSH F 2 210 ? 13.210 17.638 4.378 1.00 37.50 0 B 2 +HETATM 3578 C CG1 . GSH F 2 210 ? 15.723 14.530 6.613 1.00 27.74 0 B 2 +HETATM 3579 S SG2 . GSH F 2 210 ? 13.842 18.313 5.964 1.00 50.07 0 B 2 +HETATM 3580 C CD1 . GSH F 2 210 ? 14.385 15.062 6.152 1.00 30.97 0 B 2 +HETATM 3581 O OE1 . GSH F 2 210 ? 13.383 15.046 6.890 1.00 30.76 0 B 2 +HETATM 3582 C C1 . GSH F 2 210 ? 17.702 15.074 9.065 1.00 25.57 0 B 2 +HETATM 3583 N N1 . GSH F 2 210 ? 16.817 13.058 9.981 1.00 30.95 0 B 2 +HETATM 3584 C C2 . GSH F 2 210 ? 13.078 15.643 2.872 1.00 35.80 0 B 2 +HETATM 3585 N N2 . GSH F 2 210 ? 14.363 15.547 4.921 1.00 30.15 0 B 2 +HETATM 3586 O O2 . GSH F 2 210 ? 14.104 15.356 2.242 1.00 31.37 0 B 2 +HETATM 3587 C C3 . GSH F 2 210 ? 11.415 13.728 0.825 1.00 37.28 0 B 2 +HETATM 3588 N N3 . GSH F 2 210 ? 11.866 15.612 2.332 1.00 36.05 0 B 2 +HETATM 3589 O O11 . GSH F 2 210 ? 18.355 15.695 8.199 1.00 19.48 0 B 2 +HETATM 3590 O O12 . GSH F 2 210 ? 17.604 15.432 10.262 1.00 16.84 0 B 2 +HETATM 3591 O O31 . GSH F 2 210 ? 10.728 13.339 -0.140 1.00 40.02 0 B 2 +HETATM 3592 O O32 . GSH F 2 210 ? 11.876 12.962 1.694 1.00 37.63 0 B 2 +HETATM 3593 O O . EAA G 3 211 ? 7.914 22.960 -0.411 0.58 59.62 0 B 2 +HETATM 3594 CL CL1 . EAA G 3 211 ? 10.789 21.527 1.907 0.58 35.87 0 B 2 +HETATM 3595 CL CL2 . EAA G 3 211 ? 11.762 20.809 4.764 0.58 40.28 0 B 2 +HETATM 3596 O OXT . EAA G 3 211 ? 6.445 21.677 -1.407 0.58 58.23 0 B 2 +HETATM 3597 C C1 . EAA G 3 211 ? 8.695 19.789 2.328 0.58 44.41 0 B 2 +HETATM 3598 O O1 . EAA G 3 211 ? 9.464 17.518 6.870 0.58 40.58 0 B 2 +HETATM 3599 C C2 . EAA G 3 211 ? 9.865 20.360 2.869 0.58 41.20 0 B 2 +HETATM 3600 O O2 . EAA G 3 211 ? 8.293 20.245 1.060 0.58 51.80 0 B 2 +HETATM 3601 C C3 . EAA G 3 211 ? 10.334 19.973 4.152 0.58 38.83 0 B 2 +HETATM 3602 C C4 . EAA G 3 211 ? 9.619 18.977 4.919 0.58 37.99 0 B 2 +HETATM 3603 C C5 . EAA G 3 211 ? 8.453 18.424 4.336 0.58 36.96 0 B 2 +HETATM 3604 C C6 . EAA G 3 211 ? 7.997 18.822 3.076 0.58 42.19 0 B 2 +HETATM 3605 C C7 . EAA G 3 211 ? 10.075 18.438 6.298 0.58 36.51 0 B 2 +HETATM 3606 C C8 . EAA G 3 211 ? 11.371 18.954 7.071 0.58 29.16 0 B 2 +HETATM 3607 C C9 . EAA G 3 211 ? 11.112 19.649 8.422 0.58 29.15 0 B 2 +HETATM 3608 C C10 . EAA G 3 211 ? 12.095 20.740 8.861 0.58 7.54 0 B 2 +HETATM 3609 C C11 . EAA G 3 211 ? 12.525 17.953 7.143 0.58 37.43 0 B 2 +HETATM 3610 C C12 . EAA G 3 211 ? 7.095 21.066 0.821 0.58 54.94 0 B 2 +HETATM 3611 C C13 . EAA G 3 211 ? 7.167 21.954 -0.425 0.58 58.74 0 B 2 +HETATM 3612 O O1 . MES H 4 212 ? 25.399 31.732 0.101 1.00 29.43 0 B 2 +HETATM 3613 O O1S . MES H 4 212 ? 28.350 34.180 6.757 1.00 54.74 0 B 2 +HETATM 3614 C C2 . MES H 4 212 ? 26.298 30.743 0.676 1.00 30.42 0 B 2 +HETATM 3615 O O2S . MES H 4 212 ? 27.106 36.266 5.827 1.00 52.67 0 B 2 +HETATM 3616 C C3 . MES H 4 212 ? 26.876 31.255 2.009 1.00 32.96 0 B 2 +HETATM 3617 O O3S . MES H 4 212 ? 29.301 35.349 4.647 1.00 54.91 0 B 2 +HETATM 3618 N N4 . MES H 4 212 ? 26.738 32.784 2.137 1.00 37.73 0 B 2 +HETATM 3619 C C5 . MES H 4 212 ? 26.934 33.536 0.784 1.00 41.06 0 B 2 +HETATM 3620 C C6 . MES H 4 212 ? 26.026 32.960 -0.336 1.00 32.62 0 B 2 +HETATM 3621 C C7 . MES H 4 212 ? 27.655 33.329 3.241 1.00 41.26 0 B 2 +HETATM 3622 C C8 . MES H 4 212 ? 26.877 33.880 4.434 1.00 48.43 0 B 2 +HETATM 3623 S S . MES H 4 212 ? 27.897 34.937 5.446 1.00 49.83 0 B 2 +HETATM 3624 O O . HOH I 5 213 ? 30.973 0.731 12.888 1.00 14.90 0 A 2 +HETATM 3625 O O . HOH I 5 214 ? 16.353 5.845 8.714 1.00 13.46 0 A 2 +HETATM 3626 O O . HOH I 5 215 ? 18.802 9.871 22.399 1.00 19.85 0 A 2 +HETATM 3627 O O . HOH I 5 216 ? 17.849 -5.218 27.284 1.00 6.65 0 A 2 +HETATM 3628 O O . HOH I 5 217 ? 14.913 11.735 17.839 1.00 18.37 0 A 2 +HETATM 3629 O O . HOH I 5 218 ? 12.209 -1.351 21.361 1.00 16.28 0 A 2 +HETATM 3630 O O . HOH I 5 219 ? 17.915 -0.312 22.660 1.00 10.91 0 A 2 +HETATM 3631 O O . HOH I 5 220 ? 18.848 -6.964 29.264 1.00 8.02 0 A 2 +HETATM 3632 O O . HOH I 5 221 ? 9.026 0.631 7.674 1.00 27.53 0 A 2 +HETATM 3633 O O . HOH I 5 222 ? 16.144 9.617 28.006 1.00 17.74 0 A 2 +HETATM 3634 O O . HOH I 5 223 ? 14.653 13.188 31.007 1.00 40.58 0 A 2 +HETATM 3635 O O . HOH I 5 224 ? 32.035 -8.919 15.067 1.00 22.71 0 A 2 +HETATM 3636 O O . HOH I 5 225 ? 15.346 -5.308 21.418 1.00 21.73 0 A 2 +HETATM 3637 O O . HOH I 5 226 ? 20.663 2.073 23.335 1.00 16.32 0 A 2 +HETATM 3638 O O . HOH I 5 227 ? 15.679 12.253 27.840 1.00 15.79 0 A 2 +HETATM 3639 O O . HOH I 5 228 ? 20.342 -5.842 31.041 1.00 9.59 0 A 2 +HETATM 3640 O O . HOH I 5 229 ? 27.712 -9.205 6.008 1.00 27.35 0 A 2 +HETATM 3641 O O . HOH I 5 230 ? 32.629 -7.932 12.186 1.00 25.56 0 A 2 +HETATM 3642 O O . HOH I 5 231 ? 31.477 11.482 26.421 1.00 12.72 0 A 2 +HETATM 3643 O O . HOH I 5 232 ? 14.894 -2.666 21.634 1.00 27.21 0 A 2 +HETATM 3644 O O . HOH I 5 233 ? 15.414 -2.368 32.929 1.00 13.49 0 A 2 +HETATM 3645 O O . HOH I 5 234 ? 16.927 -1.121 34.741 1.00 14.02 0 A 2 +HETATM 3646 O O . HOH I 5 235 ? 13.388 12.376 25.958 1.00 21.71 0 A 2 +HETATM 3647 O O . HOH I 5 236 ? 9.944 0.052 23.599 1.00 24.83 0 A 2 +HETATM 3648 O O . HOH I 5 237 ? 18.699 2.270 21.411 1.00 23.12 0 A 2 +HETATM 3649 O O . HOH I 5 238 ? 10.016 -8.725 32.364 1.00 32.09 0 A 2 +HETATM 3650 O O . HOH I 5 239 ? 34.786 2.316 15.527 1.00 15.46 0 A 2 +HETATM 3651 O O . HOH I 5 240 ? 18.238 4.711 18.371 1.00 10.49 0 A 2 +HETATM 3652 O O . HOH I 5 241 ? 19.166 5.121 21.117 1.00 20.37 0 A 2 +HETATM 3653 O O . HOH I 5 242 ? 9.724 -6.136 17.351 1.00 19.18 0 A 2 +HETATM 3654 O O . HOH I 5 243 ? 27.394 11.512 24.655 1.00 10.41 0 A 2 +HETATM 3655 O O . HOH I 5 244 ? 7.984 3.283 7.682 1.00 26.45 0 A 2 +HETATM 3656 O O . HOH I 5 245 ? 7.094 -6.315 23.482 1.00 19.85 0 A 2 +HETATM 3657 O O . HOH I 5 246 ? 31.319 -4.234 6.618 1.00 12.52 0 A 2 +HETATM 3658 O O . HOH I 5 247 ? 36.545 5.527 18.522 1.00 26.96 0 A 2 +HETATM 3659 O O . HOH I 5 248 ? 38.331 0.085 25.566 1.00 35.14 0 A 2 +HETATM 3660 O O . HOH I 5 249 ? 11.640 9.003 12.086 1.00 20.90 0 A 2 +HETATM 3661 O O . HOH I 5 250 ? 2.606 2.361 8.945 1.00 34.28 0 A 2 +HETATM 3662 O O . HOH I 5 251 ? 25.497 10.096 38.279 1.00 20.21 0 A 2 +HETATM 3663 O O . HOH I 5 252 ? 22.190 -15.645 21.729 1.00 30.30 0 A 2 +HETATM 3664 O O . HOH I 5 253 ? 23.301 -15.020 19.431 1.00 22.63 0 A 2 +HETATM 3665 O O . HOH I 5 254 ? 16.088 4.212 6.641 1.00 15.98 0 A 2 +HETATM 3666 O O . HOH I 5 255 ? 6.066 4.557 8.838 1.00 31.49 0 A 2 +HETATM 3667 O O . HOH I 5 256 ? 16.755 11.772 38.461 1.00 28.77 0 A 2 +HETATM 3668 O O . HOH I 5 257 ? 19.230 -5.877 21.427 1.00 19.92 0 A 2 +HETATM 3669 O O . HOH I 5 258 ? 13.012 11.174 13.821 1.00 27.85 0 A 2 +HETATM 3670 O O . HOH I 5 259 ? 17.715 11.430 14.142 1.00 23.50 0 A 2 +HETATM 3671 O O . HOH I 5 260 ? 15.979 -2.128 40.948 1.00 32.75 0 A 2 +HETATM 3672 O O . HOH I 5 261 ? 10.032 2.839 2.026 1.00 18.16 0 A 2 +HETATM 3673 O O . HOH I 5 262 ? 15.260 5.736 4.655 1.00 17.32 0 A 2 +HETATM 3674 O O . HOH I 5 263 ? 25.670 15.220 35.524 1.00 22.99 0 A 2 +HETATM 3675 O O . HOH I 5 264 ? 29.041 -10.976 28.411 1.00 25.43 0 A 2 +HETATM 3676 O O . HOH I 5 265 ? 15.906 10.265 21.021 1.00 24.64 0 A 2 +HETATM 3677 O O . HOH I 5 266 ? 15.744 -5.262 33.802 1.00 17.75 0 A 2 +HETATM 3678 O O . HOH I 5 267 ? 33.042 14.620 37.547 1.00 28.52 0 A 2 +HETATM 3679 O O . HOH I 5 268 ? 17.795 7.090 39.811 1.00 29.62 0 A 2 +HETATM 3680 O O . HOH I 5 269 ? 6.097 14.044 37.427 1.00 26.13 0 A 2 +HETATM 3681 O O . HOH I 5 270 ? 24.394 -16.062 14.910 1.00 30.15 0 A 2 +HETATM 3682 O O . HOH I 5 271 ? 17.808 -6.896 33.259 1.00 26.03 0 A 2 +HETATM 3683 O O . HOH I 5 272 ? 6.283 15.661 35.280 1.00 14.40 0 A 2 +HETATM 3684 O O . HOH I 5 273 ? 15.452 -11.366 15.744 1.00 22.80 0 A 2 +HETATM 3685 O O . HOH I 5 274 ? 33.336 2.799 6.124 1.00 34.59 0 A 2 +HETATM 3686 O O . HOH I 5 275 ? 42.961 5.923 15.611 1.00 44.25 0 A 2 +HETATM 3687 O O . HOH I 5 276 ? 38.669 7.631 7.160 1.00 43.64 0 A 2 +HETATM 3688 O O . HOH I 5 277 ? 26.430 -14.952 9.896 1.00 42.37 0 A 2 +HETATM 3689 O O . HOH I 5 278 ? 36.364 -0.156 18.038 1.00 21.48 0 A 2 +HETATM 3690 O O . HOH I 5 279 ? 32.869 -1.853 34.306 1.00 56.13 0 A 2 +HETATM 3691 O O . HOH I 5 280 ? 7.469 8.583 13.671 1.00 19.57 0 A 2 +HETATM 3692 O O . HOH I 5 281 ? 10.478 14.898 26.755 1.00 32.67 0 A 2 +HETATM 3693 O O . HOH I 5 282 ? 16.766 -6.473 35.980 1.00 30.91 0 A 2 +HETATM 3694 O O . HOH I 5 283 ? 35.039 -8.550 11.886 1.00 29.28 0 A 2 +HETATM 3695 O O . HOH I 5 284 ? 13.238 10.194 21.369 1.00 28.47 0 A 2 +HETATM 3696 O O . HOH I 5 285 ? 39.782 19.112 12.379 1.00 46.09 0 A 2 +HETATM 3697 O O . HOH I 5 286 ? 26.741 6.670 40.059 1.00 41.70 0 A 2 +HETATM 3698 O O . HOH I 5 287 ? 26.978 4.284 38.822 1.00 16.71 0 A 2 +HETATM 3699 O O . HOH I 5 288 ? 21.338 9.590 16.313 1.00 8.45 0 A 2 +HETATM 3700 O O . HOH I 5 289 ? 30.432 14.771 42.609 1.00 24.82 0 A 2 +HETATM 3701 O O . HOH I 5 290 ? 13.603 6.127 8.603 1.00 17.52 0 A 2 +HETATM 3702 O O . HOH I 5 291 ? 10.628 6.786 22.377 1.00 23.71 0 A 2 +HETATM 3703 O O . HOH I 5 292 ? 8.172 9.434 38.760 1.00 28.33 0 A 2 +HETATM 3704 O O . HOH I 5 293 ? 2.474 5.522 13.213 1.00 28.64 0 A 2 +HETATM 3705 O O . HOH J 5 213 ? 20.610 14.491 18.120 1.00 16.91 0 B 2 +HETATM 3706 O O . HOH J 5 214 ? 13.405 17.495 24.470 1.00 12.24 0 B 2 +HETATM 3707 O O . HOH J 5 215 ? 17.735 19.343 15.433 1.00 11.97 0 B 2 +HETATM 3708 O O . HOH J 5 216 ? 24.401 13.154 14.703 1.00 13.92 0 B 2 +HETATM 3709 O O . HOH J 5 217 ? 27.160 24.909 25.000 1.00 14.34 0 B 2 +HETATM 3710 O O . HOH J 5 218 ? 7.733 28.948 13.267 1.00 11.17 0 B 2 +HETATM 3711 O O . HOH J 5 219 ? 20.928 22.965 11.275 1.00 21.31 0 B 2 +HETATM 3712 O O . HOH J 5 220 ? 12.159 19.143 26.256 1.00 23.66 0 B 2 +HETATM 3713 O O . HOH J 5 221 ? 23.409 11.790 21.301 1.00 6.66 0 B 2 +HETATM 3714 O O . HOH J 5 222 ? 27.956 22.772 31.541 1.00 22.63 0 B 2 +HETATM 3715 O O . HOH J 5 223 ? 12.778 15.022 25.106 1.00 13.75 0 B 2 +HETATM 3716 O O . HOH J 5 224 ? 20.310 14.311 11.732 1.00 26.62 0 B 2 +HETATM 3717 O O . HOH J 5 225 ? 31.983 23.936 23.016 1.00 17.33 0 B 2 +HETATM 3718 O O . HOH J 5 226 ? 18.585 29.178 6.804 1.00 20.81 0 B 2 +HETATM 3719 O O . HOH J 5 227 ? 20.510 25.183 -0.352 1.00 22.14 0 B 2 +HETATM 3720 O O . HOH J 5 228 ? 19.919 14.298 5.332 1.00 18.85 0 B 2 +HETATM 3721 O O . HOH J 5 229 ? 19.238 11.017 2.613 1.00 17.63 0 B 2 +HETATM 3722 O O . HOH J 5 230 ? 11.849 24.553 10.715 1.00 9.09 0 B 2 +HETATM 3723 O O . HOH J 5 231 ? 6.196 32.655 28.497 1.00 15.83 0 B 2 +HETATM 3724 O O . HOH J 5 232 ? 18.828 19.268 12.999 1.00 11.91 0 B 2 +HETATM 3725 O O . HOH J 5 233 ? 33.491 14.604 12.388 1.00 10.55 0 B 2 +HETATM 3726 O O . HOH J 5 234 ? 10.159 13.742 19.694 1.00 23.27 0 B 2 +HETATM 3727 O O . HOH J 5 235 ? 18.934 21.956 13.233 1.00 19.25 0 B 2 +HETATM 3728 O O . HOH J 5 236 ? 16.860 11.273 6.856 1.00 18.76 0 B 2 +HETATM 3729 O O . HOH J 5 237 ? 14.261 25.859 11.523 1.00 25.90 0 B 2 +HETATM 3730 O O . HOH J 5 238 ? 10.357 17.701 27.463 1.00 18.00 0 B 2 +HETATM 3731 O O . HOH J 5 239 ? 19.858 31.009 5.150 1.00 17.82 0 B 2 +HETATM 3732 O O . HOH J 5 240 ? 5.075 21.528 22.674 1.00 29.74 0 B 2 +HETATM 3733 O O . HOH J 5 241 ? 22.950 38.565 28.624 1.00 17.13 0 B 2 +HETATM 3734 O O . HOH J 5 242 ? 20.810 33.822 29.923 1.00 9.16 0 B 2 +HETATM 3735 O O . HOH J 5 243 ? 17.969 24.066 11.709 1.00 19.97 0 B 2 +HETATM 3736 O O . HOH J 5 244 ? 14.820 28.770 10.955 1.00 24.90 0 B 2 +HETATM 3737 O O . HOH J 5 245 ? 3.285 23.007 29.827 1.00 31.98 0 B 2 +HETATM 3738 O O . HOH J 5 246 ? 15.376 12.165 15.312 1.00 16.74 0 B 2 +HETATM 3739 O O . HOH J 5 247 ? 0.953 29.059 9.892 1.00 30.94 0 B 2 +HETATM 3740 O O . HOH J 5 248 ? 34.959 20.979 21.513 1.00 16.43 0 B 2 +HETATM 3741 O O . HOH J 5 249 ? 12.907 22.329 11.628 1.00 20.41 0 B 2 +HETATM 3742 O O . HOH J 5 250 ? 15.392 38.207 30.907 1.00 22.45 0 B 2 +HETATM 3743 O O . HOH J 5 251 ? 35.144 20.807 9.026 1.00 36.72 0 B 2 +HETATM 3744 O O . HOH J 5 252 ? 20.580 40.689 19.589 1.00 36.41 0 B 2 +HETATM 3745 O O . HOH J 5 253 ? 4.633 19.892 28.305 1.00 34.01 0 B 2 +HETATM 3746 O O . HOH J 5 254 ? 19.727 11.684 5.447 1.00 41.07 0 B 2 +HETATM 3747 O O . HOH J 5 255 ? 32.730 33.125 22.151 1.00 23.93 0 B 2 +HETATM 3748 O O . HOH J 5 256 ? 19.917 40.348 12.881 1.00 15.04 0 B 2 +HETATM 3749 O O . HOH J 5 257 ? 14.788 26.928 36.000 1.00 16.48 0 B 2 +HETATM 3750 O O . HOH J 5 258 ? 7.090 28.580 6.227 1.00 23.29 0 B 2 +HETATM 3751 O O . HOH J 5 259 ? 26.585 42.511 12.651 1.00 17.90 0 B 2 +HETATM 3752 O O . HOH J 5 260 ? 22.628 37.551 2.180 1.00 31.26 0 B 2 +HETATM 3753 O O . HOH J 5 261 ? 27.819 37.172 8.975 1.00 18.95 0 B 2 +HETATM 3754 O O . HOH J 5 262 ? 3.745 17.109 20.542 1.00 22.72 0 B 2 +HETATM 3755 O O . HOH J 5 263 ? 27.453 33.597 25.743 1.00 19.05 0 B 2 +HETATM 3756 O O . HOH J 5 264 ? 28.971 14.013 12.696 1.00 13.83 0 B 2 +HETATM 3757 O O . HOH J 5 265 ? 33.702 19.037 32.712 1.00 29.25 0 B 2 +HETATM 3758 O O . HOH J 5 266 ? 5.391 30.384 29.638 1.00 26.15 0 B 2 +HETATM 3759 O O . HOH J 5 267 ? 10.198 17.052 23.284 1.00 22.80 0 B 2 +HETATM 3760 O O . HOH J 5 268 ? 5.842 14.656 11.054 1.00 35.85 0 B 2 +HETATM 3761 O O . HOH J 5 269 ? 23.427 12.766 -3.703 1.00 38.81 0 B 2 +HETATM 3762 O O . HOH J 5 270 ? 31.404 15.424 -1.198 1.00 30.47 0 B 2 +HETATM 3763 O O . HOH J 5 271 ? 1.006 18.955 21.352 1.00 24.31 0 B 2 +HETATM 3764 O O . HOH J 5 272 ? 24.676 13.199 -6.931 1.00 33.97 0 B 2 +HETATM 3765 O O . HOH J 5 273 ? 24.868 28.429 37.570 1.00 20.58 0 B 2 +HETATM 3766 O O . HOH J 5 274 ? 12.349 32.517 -0.549 1.00 21.23 0 B 2 +HETATM 3767 O O . HOH J 5 275 ? 13.919 31.165 11.852 1.00 35.39 0 B 2 +HETATM 3768 O O . HOH J 5 276 ? 12.718 21.208 33.738 1.00 30.90 0 B 2 +HETATM 3769 O O . HOH J 5 277 ? 18.528 29.262 -0.271 1.00 46.93 0 B 2 +HETATM 3770 O O . HOH J 5 278 ? 18.946 40.499 27.880 1.00 18.68 0 B 2 +HETATM 3771 O O . HOH J 5 279 ? 31.623 24.227 26.175 1.00 18.09 0 B 2 +HETATM 3772 O O . HOH J 5 280 ? 19.561 12.130 16.965 1.00 26.13 0 B 2 +HETATM 3773 O O . HOH J 5 281 ? 16.115 39.379 27.433 1.00 46.44 0 B 2 +HETATM 3774 O O . HOH J 5 282 ? 11.689 38.633 29.469 1.00 34.75 0 B 2 +HETATM 3775 O O . HOH J 5 283 ? 8.579 31.941 35.113 1.00 35.47 0 B 2 +HETATM 3776 O O . HOH J 5 284 ? 21.974 30.378 3.290 1.00 27.23 0 B 2 +HETATM 3777 O O . HOH J 5 285 ? 10.852 34.717 10.974 1.00 33.68 0 B 2 +HETATM 3778 O O . HOH J 5 286 ? 3.062 17.347 17.479 1.00 23.50 0 B 2 +HETATM 3779 O O . HOH J 5 287 ? 9.585 17.566 30.413 1.00 35.72 0 B 2 +HETATM 3780 O O . HOH J 5 288 ? 25.754 37.737 30.301 1.00 35.68 0 B 2 +HETATM 3781 O O . HOH J 5 289 ? -5.496 27.631 15.894 1.00 36.11 0 B 2 +HETATM 3782 O O . HOH J 5 290 ? 0.572 34.340 16.654 1.00 44.80 0 B 2 +HETATM 3783 O O . HOH J 5 291 ? -1.204 18.747 18.868 1.00 57.65 0 B 2 +HETATM 3784 O O . HOH J 5 292 ? 34.605 16.473 22.169 1.00 30.94 0 B 2 +HETATM 3785 O O . HOH J 5 293 ? 10.847 23.216 7.230 1.00 37.65 0 B 2 +HETATM 3786 O O . HOH J 5 294 ? 33.410 30.934 18.666 1.00 30.96 0 B 2 +HETATM 3787 O O . HOH J 5 295 ? 36.686 11.713 23.216 1.00 32.48 0 B 2 +HETATM 3788 O O . HOH J 5 296 ? 5.961 28.613 32.151 1.00 38.09 0 B 2 +HETATM 3789 O O . HOH J 5 297 ? 10.294 24.351 -0.916 1.00 24.36 0 B 2 +HETATM 3790 O O . HOH J 5 298 ? 21.334 35.981 31.628 1.00 24.60 0 B 2 +HETATM 3791 O O . HOH J 5 299 ? 16.272 37.598 11.369 1.00 27.17 0 B 2 +HETATM 3792 O O . HOH J 5 300 ? 12.132 15.899 9.468 1.00 32.42 0 B 2 +HETATM 3793 O O . HOH J 5 301 ? 24.277 23.261 33.088 1.00 33.10 0 B 2 +HETATM 3794 O O . HOH J 5 302 ? 16.896 36.804 17.617 1.00 50.82 0 B 2 +HETATM 3795 O O . HOH J 5 303 ? 30.461 37.089 15.543 1.00 38.02 0 B 2 +HETATM 3796 O O . HOH J 5 304 ? 29.873 15.258 36.436 1.00 25.98 0 B 2 +HETATM 3797 O O . HOH J 5 305 ? 15.831 35.923 13.889 1.00 36.69 0 B 2 From 53c51f4931acf2139ff56ece923e98cb3887c92b Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Sun, 23 Feb 2025 14:37:36 +0100 Subject: [PATCH 094/133] format datafiles with black --- testsuite/MDAnalysisTests/datafiles.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/testsuite/MDAnalysisTests/datafiles.py b/testsuite/MDAnalysisTests/datafiles.py index 53c357566d1..97745bd3e72 100644 --- a/testsuite/MDAnalysisTests/datafiles.py +++ b/testsuite/MDAnalysisTests/datafiles.py @@ -380,7 +380,7 @@ "SURFACE_PDB", # 111 FCC lattice topology for NSGrid bug #2345 "SURFACE_TRR", # full precision coordinates for NSGrid bug #2345 "DSSP", # DSSP test suite - "MMCIF", # MMCIF test suite + "MMCIF", # MMCIF test suite ] from importlib import resources From 205c910c684727f3c2d16deffefbf96b1626a21a Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 23 Oct 2025 22:04:46 +0200 Subject: [PATCH 095/133] add tests for 1BD2 and other files mentioned in discussion --- package/MDAnalysis/topology/MMCIFParser.py | 24 +++++++++++++++---- .../MDAnalysisTests/coordinates/test_mmcif.py | 22 +++++++++++++++++ .../MDAnalysisTests/topology/test_mmcif.py | 11 +++++++++ 3 files changed, 53 insertions(+), 4 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index e3de199c95f..a9ba7acc4e8 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -138,7 +138,7 @@ def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: occupancies, # at.occ record_types, # res.het_flag tempfactors, # at.b_iso - residx, # _into_idx(res.seqid.num) + residx, # _into_idx(res.seqid.num) TODO: basically must be `auth_seq_id` ) = map( # this construct takes np.ndarray of all lists of attributes, extracted from the `gemmi.Model` np.array, list( @@ -161,7 +161,12 @@ def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: atom.occ, # occupancies residue.het_flag, # record_types atom.b_iso, # tempfactors - residue.seqid.num, # residx, later translated into continious repr + # residue.seqid.num, + ( + residue.label_seq + if residue.label_seq is not None + else residue.seqid.num + ), # residx, later translated into continious repr ) # the main loop over the `gemmi.Model` object for chain in model @@ -205,6 +210,16 @@ def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: return attrs, residx +def make_resid(residue: "gemmi.Residue") -> str: + # return residue.seqid.num + # return f'{residue.seqid.num}{residue.seqid.icode.strip()}' + return ( + residue.label_seq + if residue.label_seq is not None + else residue.seqid.num + ) + + def get_Residueattrs( model: "gemmi.Model", ) -> tuple[list[ResidueAttr], np.ndarray]: @@ -227,7 +242,7 @@ def get_Residueattrs( resids, # residue.seqid.num resnames, # residue.name segidx, # chain.name - resnums, + resnums, # residue.seqid.num ) = map( np.array, list( @@ -247,9 +262,10 @@ def get_Residueattrs( ), ) segidx = np.array(_into_idx(segidx)) + attrs = [ Resnums(resnums), - ICodes(icodes), + ICodes([icode.strip() for icode in icodes]), Resids(resids), Resnames(resnames), ] diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py index 68e5ca9725a..f19d734e408 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -5,9 +5,31 @@ import pytest from MDAnalysis.coordinates.MMCIF import HAS_GEMMI +from pathlib import Path from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") +@pytest.mark.parametrize( + "mmcif_filename", + [ + f + for f in glob.glob(f"{MMCIF_FOLDER}/*.cif.gz") + if "invalid" not in f + and "warning" not in f + and Path(f).with_suffix("").with_suffix(".pdb.gz").exists() + ], +) +@pytest.mark.filterwarnings("ignore::UserWarning") +def test_legacy_pdb_vs_mmcif(mmcif_filename): + u_cif = mda.Universe(mmcif_filename) + u_pdb = mda.Universe( + Path(mmcif_filename).with_suffix("").with_suffix(".pdb.gz") + ) + assert len(u_cif.residues) == len(u_pdb.residues) + assert len(u_cif.atoms) == len(u_pdb.atoms) + + @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize( "mmcif_filename", diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 3fa522eee3a..653302c6b15 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -5,6 +5,17 @@ from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") +@pytest.mark.parametrize("basename", [f"{MMCIF_FOLDER}/1BD2"]) +@pytest.mark.filterwarnings("ignore::UserWarning") +def test_legacy_pdb_vs_mmcif(basename): + u_cif = mda.Universe(f"{basename}.cif.gz") + u_pdb = mda.Universe(f"{basename}.pdb.gz") + assert len(u_pdb.select_atoms("resid 54 and segid D")) == len( + u_cif.select_atoms("resid 54 and segid D") + ) + + @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @pytest.mark.parametrize( "mmcif_filename,n_chains", From f9f791278323e9f6708dc72abeeb8d4826b0b8a0 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 23 Oct 2025 22:05:04 +0200 Subject: [PATCH 096/133] enable linting of mmcif-related files --- package/MDAnalysis/topology/MMCIFParser.py | 2 +- package/pyproject.toml | 2 -- testsuite/pyproject.toml | 2 -- 3 files changed, 1 insertion(+), 5 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index a9ba7acc4e8..4972138dae7 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -138,7 +138,7 @@ def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: occupancies, # at.occ record_types, # res.het_flag tempfactors, # at.b_iso - residx, # _into_idx(res.seqid.num) TODO: basically must be `auth_seq_id` + residx, # _into_idx(res.label_seq or res.seqid.num) ) = map( # this construct takes np.ndarray of all lists of attributes, extracted from the `gemmi.Model` np.array, list( diff --git a/package/pyproject.toml b/package/pyproject.toml index 4ba09fa6d3b..4056271d2b7 100644 --- a/package/pyproject.toml +++ b/package/pyproject.toml @@ -142,8 +142,6 @@ __pycache__ | MDAnalysis/coordinates/__init__\.py | MDAnalysis/coordinates/base\.py | MDAnalysis/topology/tpr/utils\.py -| MDAnalysis/coordinates/MMCIF\.py -| MDAnalysis/topology/MMCIFParser\.py | MDAnalysis/topology/PDBParser\.py | MDAnalysis/topology/__init__\.py | .*\.pyx diff --git a/testsuite/pyproject.toml b/testsuite/pyproject.toml index bc0b236535a..83b8e9ef466 100644 --- a/testsuite/pyproject.toml +++ b/testsuite/pyproject.toml @@ -161,8 +161,6 @@ extend-exclude = ''' ( testsuite/MDAnalysisTests/datafiles\.py | testsuite/MDAnalysisTests/analysis/conftest\.py -| testsuite/MDAnalysisTests/coordinates/test_mmcif\.py -| testsuite/MDAnalysisTests/topology/test_mmcif\.py ) ''' required-version = '24' From 9a9031665e78cfa559168f4d1d7857c0da601070 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 23 Oct 2025 22:12:00 +0200 Subject: [PATCH 097/133] add test files --- .../MDAnalysisTests/data/mmcif/1BD2.cif.gz | Bin 0 -> 179007 bytes .../MDAnalysisTests/data/mmcif/1BD2.pdb.gz | Bin 0 -> 137007 bytes .../MDAnalysisTests/data/mmcif/3KPR.cif.gz | Bin 0 -> 340504 bytes .../MDAnalysisTests/data/mmcif/3KPR.pdb.gz | Bin 0 -> 274404 bytes .../MDAnalysisTests/data/mmcif/3PWP.cif.gz | Bin 0 -> 183330 bytes .../MDAnalysisTests/data/mmcif/3PWP.pdb.gz | Bin 0 -> 141858 bytes 6 files changed, 0 insertions(+), 0 deletions(-) create mode 100644 testsuite/MDAnalysisTests/data/mmcif/1BD2.cif.gz create mode 100644 testsuite/MDAnalysisTests/data/mmcif/1BD2.pdb.gz create mode 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a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -6,7 +6,13 @@ @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") -@pytest.mark.parametrize("basename", [f"{MMCIF_FOLDER}/1BD2"]) +@pytest.mark.parametrize( + "basename", + [ + f"{MMCIF_FOLDER}/1BD2_short", + f"{MMCIF_FOLDER}/1BD2", + ], +) @pytest.mark.filterwarnings("ignore::UserWarning") def test_legacy_pdb_vs_mmcif(basename): u_cif = mda.Universe(f"{basename}.cif.gz") @@ -50,8 +56,7 @@ def test_chains(mmcif_filename, n_chains): def test_sequence(mmcif_filename, sequence): u = mda.Universe(mmcif_filename) in_structure = [ - str(res.resname) - for res in u.select_atoms("protein and chainid A").residues + str(res.resname) for res in u.select_atoms("protein and chainid A").residues ] assert in_structure == sequence, ":".join(in_structure) From aae46c8f691852abc85e284052e8cda48e5662e5 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Tue, 4 Nov 2025 20:37:49 +0100 Subject: [PATCH 100/133] wip --- package/MDAnalysis/topology/MMCIFParser.py | 2 +- testsuite/MDAnalysisTests/topology/test_mmcif.py | 7 +++++-- 2 files changed, 6 insertions(+), 3 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 4972138dae7..0a484ff64d5 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -239,7 +239,7 @@ def get_Residueattrs( """ ( icodes, # residue.seqid.icode - resids, # residue.seqid.num + resids, # residue.seqid.num # FIXME: perhaps this is what's wrong, and not residx per se? resnames, # residue.name segidx, # chain.name resnums, # residue.seqid.num diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index fe8eeecd8f4..410e250b996 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -11,14 +11,17 @@ [ f"{MMCIF_FOLDER}/1BD2_short", f"{MMCIF_FOLDER}/1BD2", + f"{MMCIF_FOLDER}/3PWP", + f"{MMCIF_FOLDER}/3KPR", ], ) @pytest.mark.filterwarnings("ignore::UserWarning") def test_legacy_pdb_vs_mmcif(basename): u_cif = mda.Universe(f"{basename}.cif.gz") u_pdb = mda.Universe(f"{basename}.pdb.gz") - assert len(u_pdb.select_atoms("resid 54 and segid D")) == len( - u_cif.select_atoms("resid 54 and segid D") + assert len(u_pdb.select_atoms("protein")) == len(u_cif.select_atoms("protein")) + assert len(u_pdb.select_atoms("name CA and segid D")) == len( + u_cif.select_atoms("name CA and segid D") ) From 9cf4027a0c198dfe8fa2fd9cbfe3c2ff563c999d Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Tue, 4 Nov 2025 21:21:33 +0100 Subject: [PATCH 101/133] wip: short versions work for some reason --- package/MDAnalysis/topology/MMCIFParser.py | 2 ++ testsuite/MDAnalysisTests/topology/test_mmcif.py | 13 +++++++++++-- 2 files changed, 13 insertions(+), 2 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 0a484ff64d5..26b88a8bc8b 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -178,7 +178,9 @@ def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: ) # transform *idx into continious numpy arrays + print(f"Before: {len(residx)=}") residx = np.array(_into_idx(residx)) + print(f"After: {len(residx)=}") # fill in altlocs, since gemmi has '' as default altlocs = ["A" if not elem else elem for elem in altlocs] diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 410e250b996..68cdafb22cb 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -19,7 +19,15 @@ def test_legacy_pdb_vs_mmcif(basename): u_cif = mda.Universe(f"{basename}.cif.gz") u_pdb = mda.Universe(f"{basename}.pdb.gz") - assert len(u_pdb.select_atoms("protein")) == len(u_cif.select_atoms("protein")) + assert len(u_pdb.atoms) == len(u_cif.atoms) + assert len(u_pdb.select_atoms("segid *")) == len( + u_cif.select_atoms("segid *") + ) + + assert len(u_pdb.select_atoms("protein")) == len( + u_cif.select_atoms("protein") + ) + assert len(u_pdb.select_atoms("name CA and segid D")) == len( u_cif.select_atoms("name CA and segid D") ) @@ -59,7 +67,8 @@ def test_chains(mmcif_filename, n_chains): def test_sequence(mmcif_filename, sequence): u = mda.Universe(mmcif_filename) in_structure = [ - str(res.resname) for res in u.select_atoms("protein and chainid A").residues + str(res.resname) + for res in u.select_atoms("protein and chainid A").residues ] assert in_structure == sequence, ":".join(in_structure) From 522e1253f6ae9be391768b0abe576be182735b9e Mon Sep 17 00:00:00 2001 From: Pardhav Maradani Date: Wed, 5 Nov 2025 18:26:23 +0530 Subject: [PATCH 102/133] * Fix MMCIF topology creation --- package/MDAnalysis/topology/MMCIFParser.py | 328 ++++++--------------- 1 file changed, 98 insertions(+), 230 deletions(-) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 26b88a8bc8b..ca19027cb20 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -46,7 +46,6 @@ else: HAS_GEMMI = True -import itertools import warnings import numpy as np @@ -54,7 +53,6 @@ from ..core.topology import Topology from ..core.topologyattrs import ( AltLocs, - AtomAttr, Atomids, Atomnames, Atomtypes, @@ -66,230 +64,12 @@ Occupancies, RecordTypes, Resids, - ResidueAttr, Resnames, Resnums, Segids, - SegmentAttr, Tempfactors, ) -from .base import TopologyReaderBase - - -def _into_idx(arr: list) -> list[int]: - """Replace consecutive identical elements of an array with their indices. - - Example - ------- - .. code-block:: python - - arr: list[int] = [1, 1, 5, 5, 7, 3, 3] - assert _into_idx(arr) == [0, 0, 1, 1, 2, 3, 3] - - Parameters - ---------- - arr - input array of elements that can be compared with `__eq__` - - Returns - ------- - list[int] -- array where these elements are replaced with their unique indices, in order of appearance. - - .. versionadded:: 2.9.0 - """ - return [ - idx - for idx, (_, group) in enumerate(itertools.groupby(arr)) - for _ in group - ] - - -def get_Atomattrs(model: "gemmi.Model") -> tuple[list[AtomAttr], np.ndarray]: - """Extract all attributes that are subclasses of :class:`..core.topologyattrs.AtomAttr` from a ``gemmi.Model`` object, - and a `residx` index with indices of all atoms in residues. - - Parameters - ---------- - model - input `gemmi.Model`, e.g. `gemmi.read_structure('file.cif')[0]` - - Returns - ------- - tuple[list[AtomAttr], np.ndarray] -- first element is list of all extracted attributes, second element is `segidx` - - Raises - ------ - ValueError - if any of the records is neither 'ATOM' nor 'HETATM' - - .. versionadded:: 2.9.0 - """ - ( - altlocs, # at.altloc - serials, # at.serial - names, # at.name - atomtypes, # at.name - # ------------------ - chainids, # chain.name - elements, # at.element.name - formalcharges, # at.charge - weights, # at.element.weight - # ------------------ - occupancies, # at.occ - record_types, # res.het_flag - tempfactors, # at.b_iso - residx, # _into_idx(res.label_seq or res.seqid.num) - ) = map( # this construct takes np.ndarray of all lists of attributes, extracted from the `gemmi.Model` - np.array, - list( - zip( - *[ - ( - # tuple of attributes - # extracted from residue, atom or chain in the structure - # ------------------ - atom.altloc, # altlocs - atom.serial, # serials - atom.name, # names - atom.name, # atomtypes - # ------------------ - chain.name, # chainids - atom.element.name, # elements - atom.charge, # formalcharges - atom.element.weight, # weights - # ------------------ - atom.occ, # occupancies - residue.het_flag, # record_types - atom.b_iso, # tempfactors - # residue.seqid.num, - ( - residue.label_seq - if residue.label_seq is not None - else residue.seqid.num - ), # residx, later translated into continious repr - ) - # the main loop over the `gemmi.Model` object - for chain in model - for residue in chain - for atom in residue - ] - ) - ), - ) - - # transform *idx into continious numpy arrays - print(f"Before: {len(residx)=}") - residx = np.array(_into_idx(residx)) - print(f"After: {len(residx)=}") - - # fill in altlocs, since gemmi has '' as default - altlocs = ["A" if not elem else elem for elem in altlocs] - - # convert default gemmi record types to default MDAnalysis record types - record_types = [ - "ATOM" if record == "A" else "HETATM" if record == "H" else None - for record in record_types - ] - if any((elem is None for elem in record_types)): - raise ValueError("Found an atom that is neither ATOM or HETATM") - - attrs = [ - AltLocs(altlocs), - Atomids(serials), - Atomnames(names), - Atomtypes(atomtypes), - # ---------------------------- - ChainIDs(chainids), - Elements(elements), - FormalCharges(formalcharges), - Masses(weights), - # ---------------------------- - Occupancies(occupancies), - RecordTypes(record_types), - Tempfactors(tempfactors), - ] - - return attrs, residx - - -def make_resid(residue: "gemmi.Residue") -> str: - # return residue.seqid.num - # return f'{residue.seqid.num}{residue.seqid.icode.strip()}' - return ( - residue.label_seq - if residue.label_seq is not None - else residue.seqid.num - ) - - -def get_Residueattrs( - model: "gemmi.Model", -) -> tuple[list[ResidueAttr], np.ndarray]: - """Extract all attributes that are subclasses of :class:`..core.topologyattrs.ResidueAttr` from a ``gemmi.Model`` object, - and a `segidx` index witn indices of all residues in segments. - - Parameters - ---------- - model - input `gemmi.Model`, e.g. `gemmi.read_structure('file.cif')[0]` - - Returns - ------- - tuple[list[ResidueAttr], np.ndarray] -- first element is list of all extracted attributes, second element is `segidx` - - .. versionadded:: 2.9.0 - """ - ( - icodes, # residue.seqid.icode - resids, # residue.seqid.num # FIXME: perhaps this is what's wrong, and not residx per se? - resnames, # residue.name - segidx, # chain.name - resnums, # residue.seqid.num - ) = map( - np.array, - list( - zip( - *[ - ( - residue.seqid.icode, - residue.seqid.num, - residue.name, - chain.name, - residue.seqid.num, - ) - for chain in model - for residue in chain - ] - ) - ), - ) - segidx = np.array(_into_idx(segidx)) - - attrs = [ - Resnums(resnums), - ICodes([icode.strip() for icode in icodes]), - Resids(resids), - Resnames(resnames), - ] - return attrs, segidx - - -def get_Segmentattrs(model: "gemmi.Model") -> list[SegmentAttr]: - """Extract all attributes that are subclasses of :class:`..core.topologyattrs.SegmentAttr` from a ``gemmi.Model`` object. - - Parameters - ---------- - model - input `gemmi.Model`, e.g. `gemmi.read_structure('file.cif')[0]` - - Returns - ------- - list[SegmentAttr] -- list of all extracted attributes - - .. versionadded:: 2.9.0 - """ - segids = [chain.name for chain in model] - return [Segids(segids)] +from .base import TopologyReaderBase, change_squash class MMCIFParser(TopologyReaderBase): @@ -337,16 +117,104 @@ def parse(self, **kwargs) -> Topology: ) model = structure[0] - atomAttrs, residx = get_Atomattrs(model) - residAttrs, segidx = get_Residueattrs(model) - segmentAttrs = get_Segmentattrs(model) - - attrs = atomAttrs + residAttrs + segmentAttrs + ( + altlocs, # at.altloc + serials, # at.serial + names, # at.name + atomtypes, # at.name + # ------------------ + chainids, # chain.name + elements, # at.element.name + formalcharges, # at.charge + weights, # at.element.weight + # ------------------ + occupancies, # at.occ + record_types, # res.het_flag + tempfactors, # at.b_iso + # ------------------ + icodes, # residue.seqid.icode + resids, # residue.seqid.num + resnames, # residue.name + ) = map( # this construct takes np.ndarray of all lists of attributes, extracted from the `gemmi.Model` + np.array, + list( + zip( + *[ + ( + # tuple of attributes + # extracted from residue, atom or chain in the structure + # ------------------ + atom.altloc, # altlocs + atom.serial, # serials + atom.name, # names + atom.name, # atomtypes + # ------------------ + chain.name, # chainids + atom.element.name, # elements + atom.charge, # formalcharges + atom.element.weight, # weights + # ------------------ + atom.occ, # occupancies + residue.het_flag, # record_types + atom.b_iso, # tempfactors + # ------------------ + residue.seqid.icode, # icodes + residue.seqid.num, # resids + residue.name, # resnames + ) + # the main loop over the `gemmi.Model` object + for chain in model + for residue in chain + for atom in residue + ] + ) + ), + ) - # due to the list(map(...)) construction, all elements in array have equal lengths - n_atoms = len(atomAttrs[0]) - n_residues = len(residAttrs[0]) - n_segments = len(segmentAttrs[0]) + # fill in altlocs, since gemmi has '' as default + altlocs = ["A" if not elem else elem for elem in altlocs] + + # convert default gemmi record types to default MDAnalysis record types + record_types = [ + "ATOM" if record == "A" else "HETATM" if record == "H" else None + for record in record_types + ] + if any((elem is None for elem in record_types)): + raise ValueError("Found an atom that is neither ATOM or HETATM") + + # Atom Attr's + attrs = [ + AltLocs(altlocs), + Atomids(serials), + Atomnames(names), + Atomtypes(atomtypes), + # ---------------------------- + ChainIDs(chainids), + Elements(elements), + FormalCharges(formalcharges), + Masses(weights), + # ---------------------------- + Occupancies(occupancies), + RecordTypes(record_types), + Tempfactors(tempfactors), + ] + n_atoms = len(altlocs) + + # Residue Attr's + residx, (resids, resnames, icodes, chainids) = change_squash( + (resids, resnames, icodes, chainids), + (resids, resnames, icodes, chainids), + ) + attrs.append(Resids(resids)) + attrs.append(Resnames(resnames)) + attrs.append(Resnums(resids.copy())) + attrs.append(ICodes([icode.strip() for icode in icodes])) + n_residues = len(resids) + + # Segment Attr's + segidx, (segids,) = change_squash((chainids,), (chainids,)) + attrs.append(Segids(segids)) + n_segments = len(segids) return Topology( n_atoms, From 0b0ec81c5ea8b49920f19d23eef5cbacb108b5d0 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 5 Nov 2025 18:41:40 +0100 Subject: [PATCH 103/133] add slightly more smoke tests --- .../MDAnalysisTests/coordinates/test_mmcif.py | 19 ++++++++++++++++++- 1 file changed, 18 insertions(+), 1 deletion(-) diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py index f19d734e408..47db59c52c7 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -1,11 +1,11 @@ import glob +from pathlib import Path import MDAnalysis as mda import numpy as np import pytest from MDAnalysis.coordinates.MMCIF import HAS_GEMMI -from pathlib import Path from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER @@ -28,6 +28,23 @@ def test_legacy_pdb_vs_mmcif(mmcif_filename): ) assert len(u_cif.residues) == len(u_pdb.residues) assert len(u_cif.atoms) == len(u_pdb.atoms) + for segment in "ABCDE": + for resid in [1, 10, 54, 72]: + assert len(u_pdb.select_atoms(f"segid {segment}")) == len( + u_cif.select_atoms(f"segid {segment}") + ) + assert len( + u_pdb.select_atoms(f"segid {segment} and resid {resid}") + ) == len(u_cif.select_atoms(f"segid {segment} and resid {resid}")) + assert len( + u_pdb.select_atoms( + f"segid {segment} and resid {resid} and name CA" + ) + ) == len( + u_cif.select_atoms( + f"segid {segment} and resid {resid} and name CA" + ) + ) @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") From b3d7c1c81fb0dae359e0dbd46619cb25c0608fd3 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 5 Nov 2025 18:53:19 +0100 Subject: [PATCH 104/133] update changelog --- package/CHANGELOG | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/package/CHANGELOG b/package/CHANGELOG index e009d480303..235bd98d5f7 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -14,13 +14,15 @@ The rules for this file: ------------------------------------------------------------------------------- -??/??/?? IAlibay +??/??/?? IAlibay, marinegor, PardhavMaradani * 2.11.0 Fixes Enhancements + * Add reading from mmCIF, also known as PDBx format, using crystallographic library + `gemmi` as a backend (Issue #2367 and extension of #4303, PR #4712). Changes From 801d85fcf1191e830f73820b1e74a7eba8f61216 Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 5 Nov 2025 19:07:19 +0100 Subject: [PATCH 105/133] remove fixmes and move some tests to topology tests --- package/MDAnalysis/coordinates/MMCIF.py | 2 +- package/pyproject.toml | 2 +- .../MDAnalysisTests/coordinates/test_mmcif.py | 17 ------------- .../MDAnalysisTests/topology/test_mmcif.py | 24 ++++++++++++------- 4 files changed, 18 insertions(+), 27 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 24804ca0106..3526669112e 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -127,7 +127,7 @@ def _read_first_frame(self): ] ) if len(structure) > 1: - warnings.warn( # FIXME: add tests for this + warnings.warn( f"File {self.filename} has {len(structure)=} models, but only the first one will be read" ) diff --git a/package/pyproject.toml b/package/pyproject.toml index 4056271d2b7..2f831670e8d 100644 --- a/package/pyproject.toml +++ b/package/pyproject.toml @@ -81,7 +81,7 @@ extra_formats = [ "pyedr>=0.7.0", "pytng>=0.2.3", "gsd>3.0.0", - "gemmi", # for mmcif format + "gemmi>=0.7.3", # for mmcif format "rdkit>=2022.09.1", "imdclient>=0.2.2", ] diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py index 47db59c52c7..6c694cbf47f 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -28,23 +28,6 @@ def test_legacy_pdb_vs_mmcif(mmcif_filename): ) assert len(u_cif.residues) == len(u_pdb.residues) assert len(u_cif.atoms) == len(u_pdb.atoms) - for segment in "ABCDE": - for resid in [1, 10, 54, 72]: - assert len(u_pdb.select_atoms(f"segid {segment}")) == len( - u_cif.select_atoms(f"segid {segment}") - ) - assert len( - u_pdb.select_atoms(f"segid {segment} and resid {resid}") - ) == len(u_cif.select_atoms(f"segid {segment} and resid {resid}")) - assert len( - u_pdb.select_atoms( - f"segid {segment} and resid {resid} and name CA" - ) - ) == len( - u_cif.select_atoms( - f"segid {segment} and resid {resid} and name CA" - ) - ) @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 68cdafb22cb..b146ca4947a 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -20,17 +20,26 @@ def test_legacy_pdb_vs_mmcif(basename): u_cif = mda.Universe(f"{basename}.cif.gz") u_pdb = mda.Universe(f"{basename}.pdb.gz") assert len(u_pdb.atoms) == len(u_cif.atoms) - assert len(u_pdb.select_atoms("segid *")) == len( - u_cif.select_atoms("segid *") - ) + assert len(u_pdb.select_atoms("segid *")) == len(u_cif.select_atoms("segid *")) - assert len(u_pdb.select_atoms("protein")) == len( - u_cif.select_atoms("protein") - ) + assert len(u_pdb.select_atoms("protein")) == len(u_cif.select_atoms("protein")) assert len(u_pdb.select_atoms("name CA and segid D")) == len( u_cif.select_atoms("name CA and segid D") ) + for segment in "ABCDE": + for resid in [1, 10, 54, 72]: + assert len(u_pdb.select_atoms(f"segid {segment}")) == len( + u_cif.select_atoms(f"segid {segment}") + ) + assert len(u_pdb.select_atoms(f"segid {segment} and resid {resid}")) == len( + u_cif.select_atoms(f"segid {segment} and resid {resid}") + ) + assert len( + u_pdb.select_atoms(f"segid {segment} and resid {resid} and name CA") + ) == len( + u_cif.select_atoms(f"segid {segment} and resid {resid} and name CA") + ) @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") @@ -67,8 +76,7 @@ def test_chains(mmcif_filename, n_chains): def test_sequence(mmcif_filename, sequence): u = mda.Universe(mmcif_filename) in_structure = [ - str(res.resname) - for res in u.select_atoms("protein and chainid A").residues + str(res.resname) for res in u.select_atoms("protein and chainid A").residues ] assert in_structure == sequence, ":".join(in_structure) From bdd070e1d9da2f9410183b9946446da2fa1d645e Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Wed, 5 Nov 2025 19:17:25 +0100 Subject: [PATCH 106/133] black formatter --- .../MDAnalysisTests/topology/test_mmcif.py | 25 +++++++++++++------ 1 file changed, 17 insertions(+), 8 deletions(-) diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index b146ca4947a..453df4b0efc 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -20,9 +20,13 @@ def test_legacy_pdb_vs_mmcif(basename): u_cif = mda.Universe(f"{basename}.cif.gz") u_pdb = mda.Universe(f"{basename}.pdb.gz") assert len(u_pdb.atoms) == len(u_cif.atoms) - assert len(u_pdb.select_atoms("segid *")) == len(u_cif.select_atoms("segid *")) + assert len(u_pdb.select_atoms("segid *")) == len( + u_cif.select_atoms("segid *") + ) - assert len(u_pdb.select_atoms("protein")) == len(u_cif.select_atoms("protein")) + assert len(u_pdb.select_atoms("protein")) == len( + u_cif.select_atoms("protein") + ) assert len(u_pdb.select_atoms("name CA and segid D")) == len( u_cif.select_atoms("name CA and segid D") @@ -32,13 +36,17 @@ def test_legacy_pdb_vs_mmcif(basename): assert len(u_pdb.select_atoms(f"segid {segment}")) == len( u_cif.select_atoms(f"segid {segment}") ) - assert len(u_pdb.select_atoms(f"segid {segment} and resid {resid}")) == len( - u_cif.select_atoms(f"segid {segment} and resid {resid}") - ) assert len( - u_pdb.select_atoms(f"segid {segment} and resid {resid} and name CA") + u_pdb.select_atoms(f"segid {segment} and resid {resid}") + ) == len(u_cif.select_atoms(f"segid {segment} and resid {resid}")) + assert len( + u_pdb.select_atoms( + f"segid {segment} and resid {resid} and name CA" + ) ) == len( - u_cif.select_atoms(f"segid {segment} and resid {resid} and name CA") + u_cif.select_atoms( + f"segid {segment} and resid {resid} and name CA" + ) ) @@ -76,7 +84,8 @@ def test_chains(mmcif_filename, n_chains): def test_sequence(mmcif_filename, sequence): u = mda.Universe(mmcif_filename) in_structure = [ - str(res.resname) for res in u.select_atoms("protein and chainid A").residues + str(res.resname) + for res in u.select_atoms("protein and chainid A").residues ] assert in_structure == sequence, ":".join(in_structure) From 6b2c6c66527ff87cb19ffb74261e112a7510f73d Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Thu, 6 Nov 2025 13:32:18 +0100 Subject: [PATCH 107/133] match formats in toplogy and coordinate parsers for mmcif --- package/MDAnalysis/coordinates/MMCIF.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 3526669112e..2ebf752fd9d 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -115,7 +115,7 @@ class MMCIFReader(base.SingleFrameReaderBase): .. versionadded:: 2.9.0 """ - format = ["cif", "cif.gz", "mmcif"] + format = ["cif", "cif.gz", "mmcif", "mmcif.gz"] units = {"time": None, "length": "Angstrom"} def _read_first_frame(self): From 1a7f607ab01cf882f51dfd6b61fe185ffb32fb43 Mon Sep 17 00:00:00 2001 From: ljwoods2 Date: Sat, 15 Nov 2025 17:52:40 -0700 Subject: [PATCH 108/133] replace gemmi.get_structure --- .../MDAnalysisTests/topology/test_mmcif.py | 41 +++++++++++++++++++ 1 file changed, 41 insertions(+) diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 453df4b0efc..e542fe204eb 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -1,5 +1,8 @@ import MDAnalysis as mda import pytest +from pathlib import Path +from io import StringIO +from MDAnalysis.lib.util import NamedStream from MDAnalysis.coordinates.MMCIF import HAS_GEMMI from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER @@ -105,3 +108,41 @@ def test_multimodel_warning_msg(): mda.topology.MMCIFParser.MMCIFParser( f"{MMCIF_FOLDER}/multimodel_warning.cif" ).parse() + + +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") +@pytest.mark.parametrize( + "filename,fmt", + [ + (f"{MMCIF_FOLDER}/1BD2_short.cif.gz", None), + (Path(f"{MMCIF_FOLDER}/1BD2_short.cif.gz"), None), + (StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz")), "CIF"), + (open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz"), "CIF"), + ( + NamedStream( + StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz")), + "some_name.cif", + ), + "CIF", + ), + (f"{MMCIF_FOLDER}/1BD2_short.pdb.gz", None), + (Path(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz"), None), + ( + StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz")), + mda.topology.MMCIFParser.MMCIFParser, + ), + ( + open(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz"), + mda.topology.MMCIFParser.MMCIFParser, + ), + ( + NamedStream( + StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz")), + "some_name.pdb", + ), + mda.topology.MMCIFParser.MMCIFParser, + ), + ], +) +def test_input_methods(filename, fmt): + mda.Universe(filename, format=fmt) From 157c365876e03db867fba6775999077abf52789b Mon Sep 17 00:00:00 2001 From: ljwoods2 Date: Sat, 15 Nov 2025 17:54:41 -0700 Subject: [PATCH 109/133] Revert "replace gemmi.get_structure" This reverts commit 1a7f607ab01cf882f51dfd6b61fe185ffb32fb43. --- .../MDAnalysisTests/topology/test_mmcif.py | 41 ------------------- 1 file changed, 41 deletions(-) diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index e542fe204eb..453df4b0efc 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -1,8 +1,5 @@ import MDAnalysis as mda import pytest -from pathlib import Path -from io import StringIO -from MDAnalysis.lib.util import NamedStream from MDAnalysis.coordinates.MMCIF import HAS_GEMMI from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER @@ -108,41 +105,3 @@ def test_multimodel_warning_msg(): mda.topology.MMCIFParser.MMCIFParser( f"{MMCIF_FOLDER}/multimodel_warning.cif" ).parse() - - -@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") -@pytest.mark.parametrize( - "filename,fmt", - [ - (f"{MMCIF_FOLDER}/1BD2_short.cif.gz", None), - (Path(f"{MMCIF_FOLDER}/1BD2_short.cif.gz"), None), - (StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz")), "CIF"), - (open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz"), "CIF"), - ( - NamedStream( - StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz")), - "some_name.cif", - ), - "CIF", - ), - (f"{MMCIF_FOLDER}/1BD2_short.pdb.gz", None), - (Path(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz"), None), - ( - StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz")), - mda.topology.MMCIFParser.MMCIFParser, - ), - ( - open(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz"), - mda.topology.MMCIFParser.MMCIFParser, - ), - ( - NamedStream( - StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz")), - "some_name.pdb", - ), - mda.topology.MMCIFParser.MMCIFParser, - ), - ], -) -def test_input_methods(filename, fmt): - mda.Universe(filename, format=fmt) From 1d01a3f4e6a70a4893b59228336411a9a818c08b Mon Sep 17 00:00:00 2001 From: ljwoods2 Date: Sat, 15 Nov 2025 18:06:35 -0700 Subject: [PATCH 110/133] add input fmt tests --- package/MDAnalysis/coordinates/MMCIF.py | 33 ++++++++++++++- package/MDAnalysis/topology/MMCIFParser.py | 33 ++++++++++++++- .../MDAnalysisTests/topology/test_mmcif.py | 41 +++++++++++++++++++ 3 files changed, 105 insertions(+), 2 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 2ebf752fd9d..071b45dfef6 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -74,6 +74,7 @@ import numpy as np from . import base +from ..lib import util try: import gemmi @@ -119,7 +120,7 @@ class MMCIFReader(base.SingleFrameReaderBase): units = {"time": None, "length": "Angstrom"} def _read_first_frame(self): - structure = gemmi.read_structure(self.filename) + structure = self._get_structure() cell_dims = np.array( [ getattr(structure.cell, name) @@ -145,3 +146,33 @@ def _read_first_frame(self): else: self.ts.dimensions = cell_dims self.ts.frame = 0 + + def _get_structure(self): + # This method exists because of some lacking methods in the gemmi Python API. + # within gemmi in C++, one can call `read_structure` and in-memory, string, and filepath + # arguments will all be accepted: + # https://github.com/project-gemmi/gemmi/blob/4416e298f204b7b57bf5b3051d7efd4fe02957cf/include/gemmi/mmread.hpp#L86 + + # However, for MDA to similarly accept common input types like streams (open File-like objs and StringIO objs) + # as well as pathlib.Path() objects, we have to use the Python API methods available currently (as of 0.7.3) + # with a string as a common target for all input types + # For this, we call gemmi.cif.read_string (https://gemmi.readthedocs.io/en/latest/cif.html#reading) to handle CIF + # strings and gemmi.read_pdb to handle PDB strings (no one method can handle both formats currently Py-side) + + # openany() is called instead of passing file paths (when available) differently from streams + # even though reading the file into a string is less efficient, this is easier to maintain + + # if the gemmi Python API is extended, this method can be simplified/removed and replaced with something like + # gemmi.read_structure + + with util.openany(self.filename) as f: + content_as_str = f.read() + try: + # String -> Doc -> Block -> Structure + # making Structure from first Block in Document as is done internally in gemmi: + # https://github.com/project-gemmi/gemmi/blob/4416e298f204b7b57bf5b3051d7efd4fe02957cf/include/gemmi/mmcif.hpp#L32 + return gemmi.make_structure_from_block( + gemmi.cif.read_string(content_as_str)[0] + ) + except ValueError: + return gemmi.read_pdb_string(content_as_str) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index ca19027cb20..c28d8e1c5c4 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -70,6 +70,7 @@ Tempfactors, ) from .base import TopologyReaderBase, change_squash +from ..lib import util class MMCIFParser(TopologyReaderBase): @@ -108,7 +109,7 @@ def parse(self, **kwargs) -> Topology: ------- MDAnalysis Topology object """ - structure = gemmi.read_structure(self.filename) + structure = self._get_structure() if len(structure) > 1: warnings.warn( @@ -224,3 +225,33 @@ def parse(self, **kwargs) -> Topology: atom_resindex=residx, residue_segindex=segidx, ) + + def _get_structure(self): + # This method exists because of some lacking methods in the gemmi Python API. + # within gemmi in C++, one can call `read_structure` and in-memory, string, and filepath + # arguments will all be accepted: + # https://github.com/project-gemmi/gemmi/blob/4416e298f204b7b57bf5b3051d7efd4fe02957cf/include/gemmi/mmread.hpp#L86 + + # However, for MDA to similarly accept common input types like streams (open File-like objs and StringIO objs) + # as well as pathlib.Path() objects, we have to use the Python API methods available currently (as of 0.7.3) + # with a string as a common target for all input types + # For this, we call gemmi.cif.read_string (https://gemmi.readthedocs.io/en/latest/cif.html#reading) to handle CIF + # strings and gemmi.read_pdb to handle PDB strings (no one method can handle both formats currently Py-side) + + # openany() is called instead of passing file paths (when available) differently from streams + # even though reading the file into a string is less efficient, this is easier to maintain + + # if the gemmi Python API is extended, this method can be simplified/removed and replaced with something like + # gemmi.read_structure + + with util.openany(self.filename) as f: + content_as_str = f.read() + try: + # String -> Doc -> Block -> Structure + # making Structure from first Block in Document as is done internally in gemmi: + # https://github.com/project-gemmi/gemmi/blob/4416e298f204b7b57bf5b3051d7efd4fe02957cf/include/gemmi/mmcif.hpp#L32 + return gemmi.make_structure_from_block( + gemmi.cif.read_string(content_as_str)[0] + ) + except ValueError: + return gemmi.read_pdb_string(content_as_str) diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 453df4b0efc..e542fe204eb 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -1,5 +1,8 @@ import MDAnalysis as mda import pytest +from pathlib import Path +from io import StringIO +from MDAnalysis.lib.util import NamedStream from MDAnalysis.coordinates.MMCIF import HAS_GEMMI from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER @@ -105,3 +108,41 @@ def test_multimodel_warning_msg(): mda.topology.MMCIFParser.MMCIFParser( f"{MMCIF_FOLDER}/multimodel_warning.cif" ).parse() + + +@pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") +@pytest.mark.parametrize( + "filename,fmt", + [ + (f"{MMCIF_FOLDER}/1BD2_short.cif.gz", None), + (Path(f"{MMCIF_FOLDER}/1BD2_short.cif.gz"), None), + (StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz")), "CIF"), + (open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz"), "CIF"), + ( + NamedStream( + StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz")), + "some_name.cif", + ), + "CIF", + ), + (f"{MMCIF_FOLDER}/1BD2_short.pdb.gz", None), + (Path(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz"), None), + ( + StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz")), + mda.topology.MMCIFParser.MMCIFParser, + ), + ( + open(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz"), + mda.topology.MMCIFParser.MMCIFParser, + ), + ( + NamedStream( + StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz")), + "some_name.pdb", + ), + mda.topology.MMCIFParser.MMCIFParser, + ), + ], +) +def test_input_methods(filename, fmt): + mda.Universe(filename, format=fmt) From 2020484240c6cb147f954da2bfa25b24a64501b3 Mon Sep 17 00:00:00 2001 From: ljwoods2 Date: Sat, 15 Nov 2025 18:31:41 -0700 Subject: [PATCH 111/133] topology format kwarg bug --- .../MDAnalysisTests/topology/test_mmcif.py | 34 ++++++++++++------- 1 file changed, 21 insertions(+), 13 deletions(-) diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index e542fe204eb..72fa24cb98a 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -2,7 +2,8 @@ import pytest from pathlib import Path from io import StringIO -from MDAnalysis.lib.util import NamedStream +import gzip +from MDAnalysis.lib import util from MDAnalysis.coordinates.MMCIF import HAS_GEMMI from MDAnalysisTests.datafiles import MMCIF as MMCIF_FOLDER @@ -116,11 +117,16 @@ def test_multimodel_warning_msg(): [ (f"{MMCIF_FOLDER}/1BD2_short.cif.gz", None), (Path(f"{MMCIF_FOLDER}/1BD2_short.cif.gz"), None), - (StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz")), "CIF"), - (open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz"), "CIF"), ( - NamedStream( - StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz")), + StringIO(util.anyopen(f"{MMCIF_FOLDER}/1BD2_short.cif.gz").read()), + "CIF", + ), + (gzip.open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz"), "CIF"), + ( + util.NamedStream( + StringIO( + util.anyopen(f"{MMCIF_FOLDER}/1BD2_short.cif.gz").read() + ), "some_name.cif", ), "CIF", @@ -128,21 +134,23 @@ def test_multimodel_warning_msg(): (f"{MMCIF_FOLDER}/1BD2_short.pdb.gz", None), (Path(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz"), None), ( - StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz")), - mda.topology.MMCIFParser.MMCIFParser, + StringIO(util.anyopen(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz").read()), + "CIF", ), ( - open(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz"), - mda.topology.MMCIFParser.MMCIFParser, + util.anyopen(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz"), + "CIF", ), ( - NamedStream( - StringIO(open(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz")), + util.NamedStream( + StringIO( + util.anyopen(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz").read() + ), "some_name.pdb", ), - mda.topology.MMCIFParser.MMCIFParser, + "CIF", ), ], ) def test_input_methods(filename, fmt): - mda.Universe(filename, format=fmt) + mda.Universe(filename, topology_format=fmt) From d362f91e819a99f966d573453cb0cad6b286774c Mon Sep 17 00:00:00 2001 From: ljwoods2 Date: Sat, 15 Nov 2025 18:35:52 -0700 Subject: [PATCH 112/133] error handling tweaks --- package/MDAnalysis/coordinates/MMCIF.py | 7 +- package/MDAnalysis/topology/MMCIFParser.py | 7 +- tmp/1BD2.cif | 10386 +++++++++++++++++++ tmp/1BD2.mmjson | 732 ++ tmp/1BD2.pdb | 7044 +++++++++++++ tmp/mmcif.py | 18 + 6 files changed, 18190 insertions(+), 4 deletions(-) create mode 100644 tmp/1BD2.cif create mode 100644 tmp/1BD2.mmjson create mode 100644 tmp/1BD2.pdb create mode 100644 tmp/mmcif.py diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 071b45dfef6..a97b8ad1d31 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -174,5 +174,8 @@ def _get_structure(self): return gemmi.make_structure_from_block( gemmi.cif.read_string(content_as_str)[0] ) - except ValueError: - return gemmi.read_pdb_string(content_as_str) + except ValueError as e: + try: + return gemmi.read_pdb_string(content_as_str) + except ValueError: + raise e \ No newline at end of file diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index c28d8e1c5c4..547d44fe1e6 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -253,5 +253,8 @@ def _get_structure(self): return gemmi.make_structure_from_block( gemmi.cif.read_string(content_as_str)[0] ) - except ValueError: - return gemmi.read_pdb_string(content_as_str) + except ValueError as e: + try: + return gemmi.read_pdb_string(content_as_str) + except ValueError: + raise e \ No newline at end of file diff --git a/tmp/1BD2.cif b/tmp/1BD2.cif new file mode 100644 index 00000000000..7c74eeb205d --- /dev/null +++ b/tmp/1BD2.cif @@ -0,0 +1,10386 @@ +data_1BD2 +# +_entry.id 1BD2 +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.397 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 1BD2 pdb_00001bd2 10.2210/pdb1bd2/pdb +WWPDB D_1000171609 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 1998-08-19 +2 'Structure model' 1 1 2008-03-24 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2012-12-12 +5 'Structure model' 1 4 2013-03-13 +6 'Structure model' 1 5 2016-05-25 +7 'Structure model' 1 6 2023-08-02 +8 'Structure model' 1 7 2024-10-23 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' Other +4 5 'Structure model' Other +5 6 'Structure model' 'Structure summary' +6 7 'Structure model' 'Database references' +7 7 'Structure model' 'Refinement description' +8 8 'Structure model' 'Data collection' +9 8 'Structure model' 'Structure summary' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 7 'Structure model' database_2 +2 7 'Structure model' pdbx_initial_refinement_model +3 7 'Structure model' struct_ref_seq_dif +4 8 'Structure model' chem_comp_atom +5 8 'Structure model' chem_comp_bond +6 8 'Structure model' pdbx_entry_details +7 8 'Structure model' pdbx_modification_feature +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 7 'Structure model' '_database_2.pdbx_DOI' +2 7 'Structure model' '_database_2.pdbx_database_accession' +3 7 'Structure model' '_struct_ref_seq_dif.details' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 1BD2 +_pdbx_database_status.recvd_initial_deposition_date 1998-05-12 +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site BNL +_pdbx_database_status.SG_entry . +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_nmr_data ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Ding, Y.-H.' 1 +'Smith, K.J.' 2 +'Garboczi, D.N.' 3 +'Utz, U.' 4 +'Biddison, W.E.' 5 +'Wiley, D.C.' 6 +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary +'Two human T cell receptors bind in a similar diagonal mode to the HLA-A2/Tax peptide complex using different TCR amino acids.' +Immunity 8 403 411 1998 IUNIEH US 1074-7613 2048 ? 9586631 '10.1016/S1074-7613(00)80546-4' +1 'Structure of the Complex between Human T-Cell Receptor, Viral Peptide and Hla-A2' Nature 384 134 ? 1996 NATUAS UK +0028-0836 0006 ? ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Ding, Y.H.' 1 ? +primary 'Smith, K.J.' 2 ? +primary 'Garboczi, D.N.' 3 ? +primary 'Utz, U.' 4 ? +primary 'Biddison, W.E.' 5 ? +primary 'Wiley, D.C.' 6 ? +1 'Garboczi, D.N.' 7 ? +1 'Ghosh, P.' 8 ? +1 'Utz, U.' 9 ? +1 'Fan, Q.R.' 10 ? +1 'Biddison, W.E.' 11 ? +1 'Wiley, D.C.' 12 ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'HLA-A 0201' 31854.203 1 ? ? 'EXTRACELLULAR DOMAINS ALPHA 1, ALPHA 2, ALPHA 3' ? +2 polymer man 'BETA-2 MICROGLOBULIN' 11879.356 1 ? ? ? ? +3 polymer man 'TAX PEPTIDE' 1070.280 1 ? ? 'RESIDUES 11 - 19 FROM TAX PROTEIN OF HUMAN T LYMPHOTROPIC VIRUS TYPE 1' ? +4 polymer man 'T CELL RECEPTOR ALPHA' 22730.295 1 ? ? 'EXTRACELLULAR DOMAINS V AND C, RESIDUES 1 - 210' ? +5 polymer man 'T CELL RECEPTOR BETA' 27326.229 1 ? ? 'EXTRACELLULAR DOMAINS V AND C, RESIDUES 1 - 247' ? +6 water nat water 18.015 39 ? ? ? ? +# +_entity_name_com.entity_id 1 +_entity_name_com.name 'HLA A2 HEAVY CHAIN' +# +loop_ +_entity_poly.entity_id +_entity_poly.type +_entity_poly.nstd_linkage +_entity_poly.nstd_monomer +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +_entity_poly.pdbx_strand_id +_entity_poly.pdbx_target_identifier +1 'polypeptide(L)' no no +;GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGT +LRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYL +EGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGT +FQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE +; +;GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGT +LRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYL +EGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGT +FQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE +; +A ? +2 'polypeptide(L)' no no +;MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYA +CRVNHVTLSQPKIVKWDRDM +; +;MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYA +CRVNHVTLSQPKIVKWDRDM +; +B ? +3 'polypeptide(L)' no no LLFGYPVYV LLFGYPVYV C ? +4 'polypeptide(L)' no no +;QQVKQNSPSLSVQEGRISILNCDYTNSMFDYFLWYKKYPAEGPTFLISISSIKDKNADGRFTVFLNKSAKHLSLHIVPSQ +PGDSAVYFCAAMEGAQKLVFGQGTRLTINPNIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKTVL +DMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS +; +;QQVKQNSPSLSVQEGRISILNCDYTNSMFDYFLWYKKYPAEGPTFLISISSIKDKNADGRFTVFLNKSAKHLSLHIVPSQ +PGDSAVYFCAAMEGAQKLVFGQGTRLTINPNIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKTVL +DMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS +; +D ? +5 'polypeptide(L)' no no +;NAGVTQTPKFQVLKTGQSMTLQCAQDMNHEYMSWYRQDPGMGLRLIHYSVGAGITDQGEVPNGYNVSRSTTEDFPLRLLS +AAPSQTSVYFCASSYPGGGFYEQYFGPGTRLTVTEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWW +VNGKEVHSGVSTDPQPLKEQPALNDSRYALSSRLRVSATFWQDPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAW +GRAD +; +;NAGVTQTPKFQVLKTGQSMTLQCAQDMNHEYMSWYRQDPGMGLRLIHYSVGAGITDQGEVPNGYNVSRSTTEDFPLRLLS +AAPSQTSVYFCASSYPGGGFYEQYFGPGTRLTVTEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWW +VNGKEVHSGVSTDPQPLKEQPALNDSRYALSSRLRVSATFWQDPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAW +GRAD +; +E ? +# +_pdbx_entity_nonpoly.entity_id 6 +_pdbx_entity_nonpoly.name water +_pdbx_entity_nonpoly.comp_id HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 GLY n +1 2 SER n +1 3 HIS n +1 4 SER n +1 5 MET n +1 6 ARG n +1 7 TYR n +1 8 PHE n +1 9 PHE n +1 10 THR n +1 11 SER n +1 12 VAL n +1 13 SER n +1 14 ARG n +1 15 PRO n +1 16 GLY n +1 17 ARG n +1 18 GLY n +1 19 GLU n +1 20 PRO n +1 21 ARG n +1 22 PHE n +1 23 ILE n +1 24 ALA n +1 25 VAL n +1 26 GLY n +1 27 TYR n +1 28 VAL n +1 29 ASP n +1 30 ASP n +1 31 THR n +1 32 GLN n +1 33 PHE n +1 34 VAL n +1 35 ARG n +1 36 PHE n +1 37 ASP n +1 38 SER n +1 39 ASP n +1 40 ALA n +1 41 ALA n +1 42 SER n +1 43 GLN n +1 44 ARG n +1 45 MET n +1 46 GLU n +1 47 PRO n +1 48 ARG n +1 49 ALA n +1 50 PRO n +1 51 TRP n +1 52 ILE n +1 53 GLU n +1 54 GLN n +1 55 GLU n +1 56 GLY n +1 57 PRO n +1 58 GLU n +1 59 TYR n +1 60 TRP n +1 61 ASP n +1 62 GLY n +1 63 GLU n +1 64 THR n +1 65 ARG n +1 66 LYS n +1 67 VAL n +1 68 LYS n +1 69 ALA n +1 70 HIS n +1 71 SER n +1 72 GLN n +1 73 THR n +1 74 HIS n +1 75 ARG n +1 76 VAL n +1 77 ASP n +1 78 LEU n +1 79 GLY n +1 80 THR n +1 81 LEU n +1 82 ARG n +1 83 GLY n +1 84 TYR n +1 85 TYR n +1 86 ASN n +1 87 GLN n +1 88 SER n +1 89 GLU n +1 90 ALA n +1 91 GLY n +1 92 SER n +1 93 HIS n +1 94 THR n +1 95 VAL n +1 96 GLN n +1 97 ARG n +1 98 MET n +1 99 TYR n +1 100 GLY n +1 101 CYS n +1 102 ASP n +1 103 VAL n +1 104 GLY n +1 105 SER n +1 106 ASP n +1 107 TRP n +1 108 ARG n +1 109 PHE n +1 110 LEU n +1 111 ARG n +1 112 GLY n +1 113 TYR n +1 114 HIS n +1 115 GLN n +1 116 TYR n +1 117 ALA n +1 118 TYR n +1 119 ASP n +1 120 GLY n +1 121 LYS n +1 122 ASP n +1 123 TYR n +1 124 ILE n +1 125 ALA n +1 126 LEU n +1 127 LYS n +1 128 GLU n +1 129 ASP n +1 130 LEU n +1 131 ARG n +1 132 SER n +1 133 TRP n +1 134 THR n +1 135 ALA n +1 136 ALA n +1 137 ASP n +1 138 MET n +1 139 ALA n +1 140 ALA n +1 141 GLN n +1 142 THR n +1 143 THR n +1 144 LYS n +1 145 HIS n +1 146 LYS n +1 147 TRP n +1 148 GLU n +1 149 ALA n +1 150 ALA n +1 151 HIS n +1 152 VAL n +1 153 ALA n +1 154 GLU n +1 155 GLN n +1 156 LEU n +1 157 ARG n +1 158 ALA n +1 159 TYR n +1 160 LEU n +1 161 GLU n +1 162 GLY n +1 163 THR n +1 164 CYS n +1 165 VAL n +1 166 GLU n +1 167 TRP n +1 168 LEU n +1 169 ARG n +1 170 ARG n +1 171 TYR n +1 172 LEU n +1 173 GLU n +1 174 ASN n +1 175 GLY n +1 176 LYS n +1 177 GLU n +1 178 THR n +1 179 LEU n +1 180 GLN n +1 181 ARG n +1 182 THR n +1 183 ASP n +1 184 ALA n +1 185 PRO n +1 186 LYS n +1 187 THR n +1 188 HIS n +1 189 MET n +1 190 THR n +1 191 HIS n +1 192 HIS n +1 193 ALA n +1 194 VAL n +1 195 SER n +1 196 ASP n +1 197 HIS n +1 198 GLU n +1 199 ALA n +1 200 THR n +1 201 LEU n +1 202 ARG n +1 203 CYS n +1 204 TRP n +1 205 ALA n +1 206 LEU n +1 207 SER n +1 208 PHE n +1 209 TYR n +1 210 PRO n +1 211 ALA n +1 212 GLU n +1 213 ILE n +1 214 THR n +1 215 LEU n +1 216 THR n +1 217 TRP n +1 218 GLN n +1 219 ARG n +1 220 ASP n +1 221 GLY n +1 222 GLU n +1 223 ASP n +1 224 GLN n +1 225 THR n +1 226 GLN n +1 227 ASP n +1 228 THR n +1 229 GLU n +1 230 LEU n +1 231 VAL n +1 232 GLU n +1 233 THR n +1 234 ARG n +1 235 PRO n +1 236 ALA n +1 237 GLY n +1 238 ASP n +1 239 GLY n +1 240 THR n +1 241 PHE n +1 242 GLN n +1 243 LYS n +1 244 TRP n +1 245 ALA n +1 246 ALA n +1 247 VAL n +1 248 VAL n +1 249 VAL n +1 250 PRO n +1 251 SER n +1 252 GLY n +1 253 GLN n +1 254 GLU n +1 255 GLN n +1 256 ARG n +1 257 TYR n +1 258 THR n +1 259 CYS n +1 260 HIS n +1 261 VAL n +1 262 GLN n +1 263 HIS n +1 264 GLU n +1 265 GLY n +1 266 LEU n +1 267 PRO n +1 268 LYS n +1 269 PRO n +1 270 LEU n +1 271 THR n +1 272 LEU n +1 273 ARG n +1 274 TRP n +1 275 GLU n +2 1 MET n +2 2 ILE n +2 3 GLN n +2 4 ARG n +2 5 THR n +2 6 PRO n +2 7 LYS n +2 8 ILE n +2 9 GLN n +2 10 VAL n +2 11 TYR n +2 12 SER n +2 13 ARG n +2 14 HIS n +2 15 PRO n +2 16 ALA n +2 17 GLU n +2 18 ASN n +2 19 GLY n +2 20 LYS n +2 21 SER n +2 22 ASN n +2 23 PHE n +2 24 LEU n +2 25 ASN n +2 26 CYS n +2 27 TYR n +2 28 VAL n +2 29 SER n +2 30 GLY n +2 31 PHE n +2 32 HIS n +2 33 PRO n +2 34 SER n +2 35 ASP n +2 36 ILE n +2 37 GLU n +2 38 VAL n +2 39 ASP n +2 40 LEU n +2 41 LEU n +2 42 LYS n +2 43 ASN n +2 44 GLY n +2 45 GLU n +2 46 ARG n +2 47 ILE n +2 48 GLU n +2 49 LYS n +2 50 VAL n +2 51 GLU n +2 52 HIS n +2 53 SER n +2 54 ASP n +2 55 LEU n +2 56 SER n +2 57 PHE n +2 58 SER n +2 59 LYS n +2 60 ASP n +2 61 TRP n +2 62 SER n +2 63 PHE n +2 64 TYR n +2 65 LEU n +2 66 LEU n +2 67 TYR n +2 68 TYR n +2 69 THR n +2 70 GLU n +2 71 PHE n +2 72 THR n +2 73 PRO n +2 74 THR n +2 75 GLU n +2 76 LYS n +2 77 ASP n +2 78 GLU n +2 79 TYR n +2 80 ALA n +2 81 CYS n +2 82 ARG n +2 83 VAL n +2 84 ASN n +2 85 HIS n +2 86 VAL n +2 87 THR n +2 88 LEU n +2 89 SER n +2 90 GLN n +2 91 PRO n +2 92 LYS n +2 93 ILE n +2 94 VAL n +2 95 LYS n +2 96 TRP n +2 97 ASP n +2 98 ARG n +2 99 ASP n +2 100 MET n +3 1 LEU n +3 2 LEU n +3 3 PHE n +3 4 GLY n +3 5 TYR n +3 6 PRO n +3 7 VAL n +3 8 TYR n +3 9 VAL n +4 1 GLN n +4 2 GLN n +4 3 VAL n +4 4 LYS n +4 5 GLN n +4 6 ASN n +4 7 SER n +4 8 PRO n +4 9 SER n +4 10 LEU n +4 11 SER n +4 12 VAL n +4 13 GLN n +4 14 GLU n +4 15 GLY n +4 16 ARG n +4 17 ILE n +4 18 SER n +4 19 ILE n +4 20 LEU n +4 21 ASN n +4 22 CYS n +4 23 ASP n +4 24 TYR n +4 25 THR n +4 26 ASN n +4 27 SER n +4 28 MET n +4 29 PHE n +4 30 ASP n +4 31 TYR n +4 32 PHE n +4 33 LEU n +4 34 TRP n +4 35 TYR n +4 36 LYS n +4 37 LYS n +4 38 TYR n +4 39 PRO n +4 40 ALA n +4 41 GLU n +4 42 GLY n +4 43 PRO n +4 44 THR n +4 45 PHE n +4 46 LEU n +4 47 ILE n +4 48 SER n +4 49 ILE n +4 50 SER n +4 51 SER n +4 52 ILE n +4 53 LYS n +4 54 ASP n +4 55 LYS n +4 56 ASN n +4 57 ALA n +4 58 ASP n +4 59 GLY n +4 60 ARG n +4 61 PHE n +4 62 THR n +4 63 VAL n +4 64 PHE n +4 65 LEU n +4 66 ASN n +4 67 LYS n +4 68 SER n +4 69 ALA n +4 70 LYS n +4 71 HIS n +4 72 LEU n +4 73 SER n +4 74 LEU n +4 75 HIS n +4 76 ILE n +4 77 VAL n +4 78 PRO n +4 79 SER n +4 80 GLN n +4 81 PRO n +4 82 GLY n +4 83 ASP n +4 84 SER n +4 85 ALA n +4 86 VAL n +4 87 TYR n +4 88 PHE n +4 89 CYS n +4 90 ALA n +4 91 ALA n +4 92 MET n +4 93 GLU n +4 94 GLY n +4 95 ALA n +4 96 GLN n +4 97 LYS n +4 98 LEU n +4 99 VAL n +4 100 PHE n +4 101 GLY n +4 102 GLN n +4 103 GLY n +4 104 THR n +4 105 ARG n +4 106 LEU n +4 107 THR n +4 108 ILE n +4 109 ASN n +4 110 PRO n +4 111 ASN n +4 112 ILE n +4 113 GLN n +4 114 ASN n +4 115 PRO n +4 116 ASP n +4 117 PRO n +4 118 ALA n +4 119 VAL n +4 120 TYR n +4 121 GLN n +4 122 LEU n +4 123 ARG n +4 124 ASP n +4 125 SER n +4 126 LYS n +4 127 SER n +4 128 SER n +4 129 ASP n +4 130 LYS n +4 131 SER n +4 132 VAL n +4 133 CYS n +4 134 LEU n +4 135 PHE n +4 136 THR n +4 137 ASP n +4 138 PHE n +4 139 ASP n +4 140 SER n +4 141 GLN n +4 142 THR n +4 143 ASN n +4 144 VAL n +4 145 SER n +4 146 GLN n +4 147 SER n +4 148 LYS n +4 149 ASP n +4 150 SER n +4 151 ASP n +4 152 VAL n +4 153 TYR n +4 154 ILE n +4 155 THR n +4 156 ASP n +4 157 LYS n +4 158 THR n +4 159 VAL n +4 160 LEU n +4 161 ASP n +4 162 MET n +4 163 ARG n +4 164 SER n +4 165 MET n +4 166 ASP n +4 167 PHE n +4 168 LYS n +4 169 SER n +4 170 ASN n +4 171 SER n +4 172 ALA n +4 173 VAL n +4 174 ALA n +4 175 TRP n +4 176 SER n +4 177 ASN n +4 178 LYS n +4 179 SER n +4 180 ASP n +4 181 PHE n +4 182 ALA n +4 183 CYS n +4 184 ALA n +4 185 ASN n +4 186 ALA n +4 187 PHE n +4 188 ASN n +4 189 ASN n +4 190 SER n +4 191 ILE n +4 192 ILE n +4 193 PRO n +4 194 GLU n +4 195 ASP n +4 196 THR n +4 197 PHE n +4 198 PHE n +4 199 PRO n +4 200 SER n +4 201 PRO n +4 202 GLU n +4 203 SER n +4 204 SER n +5 1 ASN n +5 2 ALA n +5 3 GLY n +5 4 VAL n +5 5 THR n +5 6 GLN n +5 7 THR n +5 8 PRO n +5 9 LYS n +5 10 PHE n +5 11 GLN n +5 12 VAL n +5 13 LEU n +5 14 LYS n +5 15 THR n +5 16 GLY n +5 17 GLN n +5 18 SER n +5 19 MET n +5 20 THR n +5 21 LEU n +5 22 GLN n +5 23 CYS n +5 24 ALA n +5 25 GLN n +5 26 ASP n +5 27 MET n +5 28 ASN n +5 29 HIS n +5 30 GLU n +5 31 TYR n +5 32 MET n +5 33 SER n +5 34 TRP n +5 35 TYR n +5 36 ARG n +5 37 GLN n +5 38 ASP n +5 39 PRO n +5 40 GLY n +5 41 MET n +5 42 GLY n +5 43 LEU n +5 44 ARG n +5 45 LEU n +5 46 ILE n +5 47 HIS n +5 48 TYR n +5 49 SER n +5 50 VAL n +5 51 GLY n +5 52 ALA n +5 53 GLY n +5 54 ILE n +5 55 THR n +5 56 ASP n +5 57 GLN n +5 58 GLY n +5 59 GLU n +5 60 VAL n +5 61 PRO n +5 62 ASN n +5 63 GLY n +5 64 TYR n +5 65 ASN n +5 66 VAL n +5 67 SER n +5 68 ARG n +5 69 SER n +5 70 THR n +5 71 THR n +5 72 GLU n +5 73 ASP n +5 74 PHE n +5 75 PRO n +5 76 LEU n +5 77 ARG n +5 78 LEU n +5 79 LEU n +5 80 SER n +5 81 ALA n +5 82 ALA n +5 83 PRO n +5 84 SER n +5 85 GLN n +5 86 THR n +5 87 SER n +5 88 VAL n +5 89 TYR n +5 90 PHE n +5 91 CYS n +5 92 ALA n +5 93 SER n +5 94 SER n +5 95 TYR n +5 96 PRO n +5 97 GLY n +5 98 GLY n +5 99 GLY n +5 100 PHE n +5 101 TYR n +5 102 GLU n +5 103 GLN n +5 104 TYR n +5 105 PHE n +5 106 GLY n +5 107 PRO n +5 108 GLY n +5 109 THR n +5 110 ARG n +5 111 LEU n +5 112 THR n +5 113 VAL n +5 114 THR n +5 115 GLU n +5 116 ASP n +5 117 LEU n +5 118 LYS n +5 119 ASN n +5 120 VAL n +5 121 PHE n +5 122 PRO n +5 123 PRO n +5 124 GLU n +5 125 VAL n +5 126 ALA n +5 127 VAL n +5 128 PHE n +5 129 GLU n +5 130 PRO n +5 131 SER n +5 132 GLU n +5 133 ALA n +5 134 GLU n +5 135 ILE n +5 136 SER n +5 137 HIS n +5 138 THR n +5 139 GLN n +5 140 LYS n +5 141 ALA n +5 142 THR n +5 143 LEU n +5 144 VAL n +5 145 CYS n +5 146 LEU n +5 147 ALA n +5 148 THR n +5 149 GLY n +5 150 PHE n +5 151 TYR n +5 152 PRO n +5 153 ASP n +5 154 HIS n +5 155 VAL n +5 156 GLU n +5 157 LEU n +5 158 SER n +5 159 TRP n +5 160 TRP n +5 161 VAL n +5 162 ASN n +5 163 GLY n +5 164 LYS n +5 165 GLU n +5 166 VAL n +5 167 HIS n +5 168 SER n +5 169 GLY n +5 170 VAL n +5 171 SER n +5 172 THR n +5 173 ASP n +5 174 PRO n +5 175 GLN n +5 176 PRO n +5 177 LEU n +5 178 LYS n +5 179 GLU n +5 180 GLN n +5 181 PRO n +5 182 ALA n +5 183 LEU n +5 184 ASN n +5 185 ASP n +5 186 SER n +5 187 ARG n +5 188 TYR n +5 189 ALA n +5 190 LEU n +5 191 SER n +5 192 SER n +5 193 ARG n +5 194 LEU n +5 195 ARG n +5 196 VAL n +5 197 SER n +5 198 ALA n +5 199 THR n +5 200 PHE n +5 201 TRP n +5 202 GLN n +5 203 ASP n +5 204 PRO n +5 205 ARG n +5 206 ASN n +5 207 HIS n +5 208 PHE n +5 209 ARG n +5 210 CYS n +5 211 GLN n +5 212 VAL n +5 213 GLN n +5 214 PHE n +5 215 TYR n +5 216 GLY n +5 217 LEU n +5 218 SER n +5 219 GLU n +5 220 ASN n +5 221 ASP n +5 222 GLU n +5 223 TRP n +5 224 THR n +5 225 GLN n +5 226 ASP n +5 227 ARG n +5 228 ALA n +5 229 LYS n +5 230 PRO n +5 231 VAL n +5 232 THR n +5 233 GLN n +5 234 ILE n +5 235 VAL n +5 236 SER n +5 237 ALA n +5 238 GLU n +5 239 ALA n +5 240 TRP n +5 241 GLY n +5 242 ARG n +5 243 ALA n +5 244 ASP n +# +loop_ +_entity_src_gen.entity_id +_entity_src_gen.pdbx_src_id +_entity_src_gen.pdbx_alt_source_flag +_entity_src_gen.pdbx_seq_type +_entity_src_gen.pdbx_beg_seq_num +_entity_src_gen.pdbx_end_seq_num +_entity_src_gen.gene_src_common_name +_entity_src_gen.gene_src_genus +_entity_src_gen.pdbx_gene_src_gene +_entity_src_gen.gene_src_species +_entity_src_gen.gene_src_strain +_entity_src_gen.gene_src_tissue +_entity_src_gen.gene_src_tissue_fraction +_entity_src_gen.gene_src_details +_entity_src_gen.pdbx_gene_src_fragment +_entity_src_gen.pdbx_gene_src_scientific_name +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id +_entity_src_gen.pdbx_gene_src_variant +_entity_src_gen.pdbx_gene_src_cell_line +_entity_src_gen.pdbx_gene_src_atcc +_entity_src_gen.pdbx_gene_src_organ +_entity_src_gen.pdbx_gene_src_organelle +_entity_src_gen.pdbx_gene_src_cell +_entity_src_gen.pdbx_gene_src_cellular_location +_entity_src_gen.host_org_common_name +_entity_src_gen.pdbx_host_org_scientific_name +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id +_entity_src_gen.host_org_genus +_entity_src_gen.pdbx_host_org_gene +_entity_src_gen.pdbx_host_org_organ +_entity_src_gen.host_org_species +_entity_src_gen.pdbx_host_org_tissue +_entity_src_gen.pdbx_host_org_tissue_fraction +_entity_src_gen.pdbx_host_org_strain +_entity_src_gen.pdbx_host_org_variant +_entity_src_gen.pdbx_host_org_cell_line +_entity_src_gen.pdbx_host_org_atcc +_entity_src_gen.pdbx_host_org_culture_collection +_entity_src_gen.pdbx_host_org_cell +_entity_src_gen.pdbx_host_org_organelle +_entity_src_gen.pdbx_host_org_cellular_location +_entity_src_gen.pdbx_host_org_vector_type +_entity_src_gen.pdbx_host_org_vector +_entity_src_gen.host_org_details +_entity_src_gen.expression_system_id +_entity_src_gen.plasmid_name +_entity_src_gen.plasmid_details +_entity_src_gen.pdbx_description +1 1 sample ? ? ? human Homo 'HLA-A 0201' ? ? ? ? ? ? +'Homo sapiens' 9606 ? BL21 ? PLASMA ? ? 'PLASMA MEMBRANE' ? 'Escherichia coli' 562 +Escherichia ? ? ? ? ? XA90 ? ? ? ? ? ? 'REFOLDED FROM INCLUSION BODIES' ? ? ? ? PHN1 ? ? +2 1 sample ? ? ? human Homo 'V BETA 12.3 J BETA 2.7 (BV13S1)' ? ? ? ? ? ? +'Homo sapiens' 9606 ? BL21 ? PLASMA ? ? EXTRACELLULAR ? 'Escherichia coli BL21(DE3)' 469008 +Escherichia ? ? 'Escherichia coli' ? ? 'BL21 (DE3)' ? ? ? ? ? ? 'REFOLDED FROM INCLUSION BODIES' ? ? ? ? PLM1 ? ? +3 1 sample ? ? ? ? Deltaretrovirus ? 'Primate T-lymphotropic virus 1' ? ? ? ? ? +'Human T-lymphotropic virus 1' 11908 ? ? ? ? ? ? ? ? ? ? ? ? ? +? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +4 1 sample ? ? ? human Homo 'V ALPHA 17.2, J ALPHA 54 (ADV21S1A1N2)' ? ? ? ? ? ? +'Homo sapiens' 9606 ? BL21 ? PLASMA ? T-LYMPHOCYTE 'PLASMA MEMBRANE' ? 'Escherichia coli BL21(DE3)' 469008 +Escherichia ? ? 'Escherichia coli' ? ? 'BL21 (DE3)' ? ? ? ? ? ? 'REFOLDED FROM INCLUSION BODIES' ? ? ? ? PLM1 ? ? +5 1 sample ? ? ? human Homo 'V BETA 12.3, J BETA 2.7 (BV13S1)' ? ? ? ? ? ? +'Homo sapiens' 9606 ? BL21 ? PLASMA ? T-LYMPHOCYTE 'PLASMA MEMBRANE' ? 'Escherichia coli BL21(DE3)' 469008 +Escherichia ? ? 'Escherichia coli' ? ? 'BL21 (DE3)' ? ? ? ? ? ? 'REFOLDED FROM INCLUSION BODIES' ? ? ? ? PLM1 ? ? +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 GLY 1 1 1 GLY GLY A . n +A 1 2 SER 2 2 2 SER SER A . n +A 1 3 HIS 3 3 3 HIS HIS A . n +A 1 4 SER 4 4 4 SER SER A . n +A 1 5 MET 5 5 5 MET MET A . n +A 1 6 ARG 6 6 6 ARG ARG A . n +A 1 7 TYR 7 7 7 TYR TYR A . n +A 1 8 PHE 8 8 8 PHE PHE A . n +A 1 9 PHE 9 9 9 PHE PHE A . n +A 1 10 THR 10 10 10 THR THR A . n +A 1 11 SER 11 11 11 SER SER A . n +A 1 12 VAL 12 12 12 VAL VAL A . n +A 1 13 SER 13 13 13 SER SER A . n +A 1 14 ARG 14 14 14 ARG ARG A . n +A 1 15 PRO 15 15 15 PRO PRO A . n +A 1 16 GLY 16 16 16 GLY GLY A . n +A 1 17 ARG 17 17 17 ARG ARG A . n +A 1 18 GLY 18 18 18 GLY GLY A . n +A 1 19 GLU 19 19 19 GLU GLU A . n +A 1 20 PRO 20 20 20 PRO PRO A . n +A 1 21 ARG 21 21 21 ARG ARG A . n +A 1 22 PHE 22 22 22 PHE PHE A . n +A 1 23 ILE 23 23 23 ILE ILE A . n +A 1 24 ALA 24 24 24 ALA ALA A . n +A 1 25 VAL 25 25 25 VAL VAL A . n +A 1 26 GLY 26 26 26 GLY GLY A . n +A 1 27 TYR 27 27 27 TYR TYR A . n +A 1 28 VAL 28 28 28 VAL VAL A . n +A 1 29 ASP 29 29 29 ASP ASP A . n +A 1 30 ASP 30 30 30 ASP ASP A . n +A 1 31 THR 31 31 31 THR THR A . n +A 1 32 GLN 32 32 32 GLN GLN A . n +A 1 33 PHE 33 33 33 PHE PHE A . n +A 1 34 VAL 34 34 34 VAL VAL A . n +A 1 35 ARG 35 35 35 ARG ARG A . n +A 1 36 PHE 36 36 36 PHE PHE A . n +A 1 37 ASP 37 37 37 ASP ASP A . n +A 1 38 SER 38 38 38 SER SER A . n +A 1 39 ASP 39 39 39 ASP ASP A . n +A 1 40 ALA 40 40 40 ALA ALA A . n +A 1 41 ALA 41 41 41 ALA ALA A . n +A 1 42 SER 42 42 42 SER SER A . n +A 1 43 GLN 43 43 43 GLN GLN A . n +A 1 44 ARG 44 44 44 ARG ARG A . n +A 1 45 MET 45 45 45 MET MET A . n +A 1 46 GLU 46 46 46 GLU GLU A . n +A 1 47 PRO 47 47 47 PRO PRO A . n +A 1 48 ARG 48 48 48 ARG ARG A . n +A 1 49 ALA 49 49 49 ALA ALA A . n +A 1 50 PRO 50 50 50 PRO PRO A . n +A 1 51 TRP 51 51 51 TRP TRP A . n +A 1 52 ILE 52 52 52 ILE ILE A . n +A 1 53 GLU 53 53 53 GLU GLU A . n +A 1 54 GLN 54 54 54 GLN GLN A . n +A 1 55 GLU 55 55 55 GLU GLU A . n +A 1 56 GLY 56 56 56 GLY GLY A . n +A 1 57 PRO 57 57 57 PRO PRO A . n +A 1 58 GLU 58 58 58 GLU GLU A . n +A 1 59 TYR 59 59 59 TYR TYR A . n +A 1 60 TRP 60 60 60 TRP TRP A . n +A 1 61 ASP 61 61 61 ASP ASP A . n +A 1 62 GLY 62 62 62 GLY GLY A . n +A 1 63 GLU 63 63 63 GLU GLU A . n +A 1 64 THR 64 64 64 THR THR A . n +A 1 65 ARG 65 65 65 ARG ARG A . n +A 1 66 LYS 66 66 66 LYS LYS A . n +A 1 67 VAL 67 67 67 VAL VAL A . n +A 1 68 LYS 68 68 68 LYS LYS A . n +A 1 69 ALA 69 69 69 ALA ALA A . n +A 1 70 HIS 70 70 70 HIS HIS A . n +A 1 71 SER 71 71 71 SER SER A . n +A 1 72 GLN 72 72 72 GLN GLN A . n +A 1 73 THR 73 73 73 THR THR A . n +A 1 74 HIS 74 74 74 HIS HIS A . n +A 1 75 ARG 75 75 75 ARG ARG A . n +A 1 76 VAL 76 76 76 VAL VAL A . n +A 1 77 ASP 77 77 77 ASP ASP A . n +A 1 78 LEU 78 78 78 LEU LEU A . n +A 1 79 GLY 79 79 79 GLY GLY A . n +A 1 80 THR 80 80 80 THR THR A . n +A 1 81 LEU 81 81 81 LEU LEU A . n +A 1 82 ARG 82 82 82 ARG ARG A . n +A 1 83 GLY 83 83 83 GLY GLY A . n +A 1 84 TYR 84 84 84 TYR TYR A . n +A 1 85 TYR 85 85 85 TYR TYR A . n +A 1 86 ASN 86 86 86 ASN ASN A . n +A 1 87 GLN 87 87 87 GLN GLN A . n +A 1 88 SER 88 88 88 SER SER A . n +A 1 89 GLU 89 89 89 GLU GLU A . n +A 1 90 ALA 90 90 90 ALA ALA A . n +A 1 91 GLY 91 91 91 GLY GLY A . n +A 1 92 SER 92 92 92 SER SER A . n +A 1 93 HIS 93 93 93 HIS HIS A . n +A 1 94 THR 94 94 94 THR THR A . n +A 1 95 VAL 95 95 95 VAL VAL A . n +A 1 96 GLN 96 96 96 GLN GLN A . n +A 1 97 ARG 97 97 97 ARG ARG A . n +A 1 98 MET 98 98 98 MET MET A . n +A 1 99 TYR 99 99 99 TYR TYR A . n +A 1 100 GLY 100 100 100 GLY GLY A . n +A 1 101 CYS 101 101 101 CYS CYS A . n +A 1 102 ASP 102 102 102 ASP ASP A . n +A 1 103 VAL 103 103 103 VAL VAL A . n +A 1 104 GLY 104 104 104 GLY GLY A . n +A 1 105 SER 105 105 105 SER SER A . n +A 1 106 ASP 106 106 106 ASP ASP A . n +A 1 107 TRP 107 107 107 TRP TRP A . n +A 1 108 ARG 108 108 108 ARG ARG A . n +A 1 109 PHE 109 109 109 PHE PHE A . n +A 1 110 LEU 110 110 110 LEU LEU A . n +A 1 111 ARG 111 111 111 ARG ARG A . n +A 1 112 GLY 112 112 112 GLY GLY A . n +A 1 113 TYR 113 113 113 TYR TYR A . n +A 1 114 HIS 114 114 114 HIS HIS A . n +A 1 115 GLN 115 115 115 GLN GLN A . n +A 1 116 TYR 116 116 116 TYR TYR A . n +A 1 117 ALA 117 117 117 ALA ALA A . n +A 1 118 TYR 118 118 118 TYR TYR A . n +A 1 119 ASP 119 119 119 ASP ASP A . n +A 1 120 GLY 120 120 120 GLY GLY A . n +A 1 121 LYS 121 121 121 LYS LYS A . n +A 1 122 ASP 122 122 122 ASP ASP A . n +A 1 123 TYR 123 123 123 TYR TYR A . n +A 1 124 ILE 124 124 124 ILE ILE A . n +A 1 125 ALA 125 125 125 ALA ALA A . n +A 1 126 LEU 126 126 126 LEU LEU A . n +A 1 127 LYS 127 127 127 LYS LYS A . n +A 1 128 GLU 128 128 128 GLU GLU A . n +A 1 129 ASP 129 129 129 ASP ASP A . n +A 1 130 LEU 130 130 130 LEU LEU A . n +A 1 131 ARG 131 131 131 ARG ARG A . n +A 1 132 SER 132 132 132 SER SER A . n +A 1 133 TRP 133 133 133 TRP TRP A . n +A 1 134 THR 134 134 134 THR THR A . n +A 1 135 ALA 135 135 135 ALA ALA A . n +A 1 136 ALA 136 136 136 ALA ALA A . n +A 1 137 ASP 137 137 137 ASP ASP A . n +A 1 138 MET 138 138 138 MET MET A . n +A 1 139 ALA 139 139 139 ALA ALA A . n +A 1 140 ALA 140 140 140 ALA ALA A . n +A 1 141 GLN 141 141 141 GLN GLN A . n +A 1 142 THR 142 142 142 THR THR A . n +A 1 143 THR 143 143 143 THR THR A . n +A 1 144 LYS 144 144 144 LYS LYS A . n +A 1 145 HIS 145 145 145 HIS HIS A . n +A 1 146 LYS 146 146 146 LYS LYS A . n +A 1 147 TRP 147 147 147 TRP TRP A . n +A 1 148 GLU 148 148 148 GLU GLU A . n +A 1 149 ALA 149 149 149 ALA ALA A . n +A 1 150 ALA 150 150 150 ALA ALA A . n +A 1 151 HIS 151 151 151 HIS HIS A . n +A 1 152 VAL 152 152 152 VAL VAL A . n +A 1 153 ALA 153 153 153 ALA ALA A . n +A 1 154 GLU 154 154 154 GLU GLU A . n +A 1 155 GLN 155 155 155 GLN GLN A . n +A 1 156 LEU 156 156 156 LEU LEU A . n +A 1 157 ARG 157 157 157 ARG ARG A . n +A 1 158 ALA 158 158 158 ALA ALA A . n +A 1 159 TYR 159 159 159 TYR TYR A . n +A 1 160 LEU 160 160 160 LEU LEU A . n +A 1 161 GLU 161 161 161 GLU GLU A . n +A 1 162 GLY 162 162 162 GLY GLY A . n +A 1 163 THR 163 163 163 THR THR A . n +A 1 164 CYS 164 164 164 CYS CYS A . n +A 1 165 VAL 165 165 165 VAL VAL A . n +A 1 166 GLU 166 166 166 GLU GLU A . n +A 1 167 TRP 167 167 167 TRP TRP A . n +A 1 168 LEU 168 168 168 LEU LEU A . n +A 1 169 ARG 169 169 169 ARG ARG A . n +A 1 170 ARG 170 170 170 ARG ARG A . n +A 1 171 TYR 171 171 171 TYR TYR A . n +A 1 172 LEU 172 172 172 LEU LEU A . n +A 1 173 GLU 173 173 173 GLU GLU A . n +A 1 174 ASN 174 174 174 ASN ASN A . n +A 1 175 GLY 175 175 175 GLY GLY A . n +A 1 176 LYS 176 176 176 LYS LYS A . n +A 1 177 GLU 177 177 177 GLU GLU A . n +A 1 178 THR 178 178 178 THR THR A . n +A 1 179 LEU 179 179 179 LEU LEU A . n +A 1 180 GLN 180 180 180 GLN GLN A . n +A 1 181 ARG 181 181 181 ARG ARG A . n +A 1 182 THR 182 182 182 THR THR A . n +A 1 183 ASP 183 183 183 ASP ASP A . n +A 1 184 ALA 184 184 184 ALA ALA A . n +A 1 185 PRO 185 185 185 PRO PRO A . n +A 1 186 LYS 186 186 186 LYS LYS A . n +A 1 187 THR 187 187 187 THR THR A . n +A 1 188 HIS 188 188 188 HIS HIS A . n +A 1 189 MET 189 189 189 MET MET A . n +A 1 190 THR 190 190 190 THR THR A . n +A 1 191 HIS 191 191 191 HIS HIS A . n +A 1 192 HIS 192 192 192 HIS HIS A . n +A 1 193 ALA 193 193 193 ALA ALA A . n +A 1 194 VAL 194 194 194 VAL VAL A . n +A 1 195 SER 195 195 195 SER SER A . n +A 1 196 ASP 196 196 196 ASP ASP A . n +A 1 197 HIS 197 197 197 HIS HIS A . n +A 1 198 GLU 198 198 198 GLU GLU A . n +A 1 199 ALA 199 199 199 ALA ALA A . n +A 1 200 THR 200 200 200 THR THR A . n +A 1 201 LEU 201 201 201 LEU LEU A . n +A 1 202 ARG 202 202 202 ARG ARG A . n +A 1 203 CYS 203 203 203 CYS CYS A . n +A 1 204 TRP 204 204 204 TRP TRP A . n +A 1 205 ALA 205 205 205 ALA ALA A . n +A 1 206 LEU 206 206 206 LEU LEU A . n +A 1 207 SER 207 207 207 SER SER A . n +A 1 208 PHE 208 208 208 PHE PHE A . n +A 1 209 TYR 209 209 209 TYR TYR A . n +A 1 210 PRO 210 210 210 PRO PRO A . n +A 1 211 ALA 211 211 211 ALA ALA A . n +A 1 212 GLU 212 212 212 GLU GLU A . n +A 1 213 ILE 213 213 213 ILE ILE A . n +A 1 214 THR 214 214 214 THR THR A . n +A 1 215 LEU 215 215 215 LEU LEU A . n +A 1 216 THR 216 216 216 THR THR A . n +A 1 217 TRP 217 217 217 TRP TRP A . n +A 1 218 GLN 218 218 218 GLN GLN A . n +A 1 219 ARG 219 219 219 ARG ARG A . n +A 1 220 ASP 220 220 220 ASP ASP A . n +A 1 221 GLY 221 221 221 GLY GLY A . n +A 1 222 GLU 222 222 222 GLU GLU A . n +A 1 223 ASP 223 223 223 ASP ASP A . n +A 1 224 GLN 224 224 224 GLN GLN A . n +A 1 225 THR 225 225 225 THR THR A . n +A 1 226 GLN 226 226 226 GLN GLN A . n +A 1 227 ASP 227 227 227 ASP ASP A . n +A 1 228 THR 228 228 228 THR THR A . n +A 1 229 GLU 229 229 229 GLU GLU A . n +A 1 230 LEU 230 230 230 LEU LEU A . n +A 1 231 VAL 231 231 231 VAL VAL A . n +A 1 232 GLU 232 232 232 GLU GLU A . n +A 1 233 THR 233 233 233 THR THR A . n +A 1 234 ARG 234 234 234 ARG ARG A . n +A 1 235 PRO 235 235 235 PRO PRO A . n +A 1 236 ALA 236 236 236 ALA ALA A . n +A 1 237 GLY 237 237 237 GLY GLY A . n +A 1 238 ASP 238 238 238 ASP ASP A . n +A 1 239 GLY 239 239 239 GLY GLY A . n +A 1 240 THR 240 240 240 THR THR A . n +A 1 241 PHE 241 241 241 PHE PHE A . n +A 1 242 GLN 242 242 242 GLN GLN A . n +A 1 243 LYS 243 243 243 LYS LYS A . n +A 1 244 TRP 244 244 244 TRP TRP A . n +A 1 245 ALA 245 245 245 ALA ALA A . n +A 1 246 ALA 246 246 246 ALA ALA A . n +A 1 247 VAL 247 247 247 VAL VAL A . n +A 1 248 VAL 248 248 248 VAL VAL A . n +A 1 249 VAL 249 249 249 VAL VAL A . n +A 1 250 PRO 250 250 250 PRO PRO A . n +A 1 251 SER 251 251 251 SER SER A . n +A 1 252 GLY 252 252 252 GLY GLY A . n +A 1 253 GLN 253 253 253 GLN GLN A . n +A 1 254 GLU 254 254 254 GLU GLU A . n +A 1 255 GLN 255 255 255 GLN GLN A . n +A 1 256 ARG 256 256 256 ARG ARG A . n +A 1 257 TYR 257 257 257 TYR TYR A . n +A 1 258 THR 258 258 258 THR THR A . n +A 1 259 CYS 259 259 259 CYS CYS A . n +A 1 260 HIS 260 260 260 HIS HIS A . n +A 1 261 VAL 261 261 261 VAL VAL A . n +A 1 262 GLN 262 262 262 GLN GLN A . n +A 1 263 HIS 263 263 263 HIS HIS A . n +A 1 264 GLU 264 264 264 GLU GLU A . n +A 1 265 GLY 265 265 265 GLY GLY A . n +A 1 266 LEU 266 266 266 LEU LEU A . n +A 1 267 PRO 267 267 267 PRO PRO A . n +A 1 268 LYS 268 268 268 LYS LYS A . n +A 1 269 PRO 269 269 269 PRO PRO A . n +A 1 270 LEU 270 270 270 LEU LEU A . n +A 1 271 THR 271 271 271 THR THR A . n +A 1 272 LEU 272 272 272 LEU LEU A . n +A 1 273 ARG 273 273 273 ARG ARG A . n +A 1 274 TRP 274 274 274 TRP TRP A . n +A 1 275 GLU 275 275 275 GLU GLU A . n +B 2 1 MET 1 0 ? ? ? B . n +B 2 2 ILE 2 1 1 ILE ILE B . n +B 2 3 GLN 3 2 2 GLN GLN B . n +B 2 4 ARG 4 3 3 ARG ARG B . n +B 2 5 THR 5 4 4 THR THR B . n +B 2 6 PRO 6 5 5 PRO PRO B . n +B 2 7 LYS 7 6 6 LYS LYS B . n +B 2 8 ILE 8 7 7 ILE ILE B . n +B 2 9 GLN 9 8 8 GLN GLN B . n +B 2 10 VAL 10 9 9 VAL VAL B . n +B 2 11 TYR 11 10 10 TYR TYR B . n +B 2 12 SER 12 11 11 SER SER B . n +B 2 13 ARG 13 12 12 ARG ARG B . n +B 2 14 HIS 14 13 13 HIS HIS B . n +B 2 15 PRO 15 14 14 PRO PRO B . n +B 2 16 ALA 16 15 15 ALA ALA B . n +B 2 17 GLU 17 16 16 GLU GLU B . n +B 2 18 ASN 18 17 17 ASN ASN B . n +B 2 19 GLY 19 18 18 GLY GLY B . n +B 2 20 LYS 20 19 19 LYS LYS B . n +B 2 21 SER 21 20 20 SER SER B . n +B 2 22 ASN 22 21 21 ASN ASN B . n +B 2 23 PHE 23 22 22 PHE PHE B . n +B 2 24 LEU 24 23 23 LEU LEU B . n +B 2 25 ASN 25 24 24 ASN ASN B . n +B 2 26 CYS 26 25 25 CYS CYS B . n +B 2 27 TYR 27 26 26 TYR TYR B . n +B 2 28 VAL 28 27 27 VAL VAL B . n +B 2 29 SER 29 28 28 SER SER B . n +B 2 30 GLY 30 29 29 GLY GLY B . n +B 2 31 PHE 31 30 30 PHE PHE B . n +B 2 32 HIS 32 31 31 HIS HIS B . n +B 2 33 PRO 33 32 32 PRO PRO B . n +B 2 34 SER 34 33 33 SER SER B . n +B 2 35 ASP 35 34 34 ASP ASP B . n +B 2 36 ILE 36 35 35 ILE ILE B . n +B 2 37 GLU 37 36 36 GLU GLU B . n +B 2 38 VAL 38 37 37 VAL VAL B . n +B 2 39 ASP 39 38 38 ASP ASP B . n +B 2 40 LEU 40 39 39 LEU LEU B . n +B 2 41 LEU 41 40 40 LEU LEU B . n +B 2 42 LYS 42 41 41 LYS LYS B . n +B 2 43 ASN 43 42 42 ASN ASN B . n +B 2 44 GLY 44 43 43 GLY GLY B . n +B 2 45 GLU 45 44 44 GLU GLU B . n +B 2 46 ARG 46 45 45 ARG ARG B . n +B 2 47 ILE 47 46 46 ILE ILE B . n +B 2 48 GLU 48 47 48 GLU GLU B . n +B 2 49 LYS 49 48 48 LYS LYS B . n +B 2 50 VAL 50 49 49 VAL VAL B . n +B 2 51 GLU 51 50 50 GLU GLU B . n +B 2 52 HIS 52 51 51 HIS HIS B . n +B 2 53 SER 53 52 52 SER SER B . n +B 2 54 ASP 54 53 53 ASP ASP B . n +B 2 55 LEU 55 54 54 LEU LEU B . n +B 2 56 SER 56 55 55 SER SER B . n +B 2 57 PHE 57 56 56 PHE PHE B . n +B 2 58 SER 58 57 57 SER SER B . n +B 2 59 LYS 59 58 58 LYS LYS B . n +B 2 60 ASP 60 59 59 ASP ASP B . n +B 2 61 TRP 61 60 60 TRP TRP B . n +B 2 62 SER 62 61 61 SER SER B . n +B 2 63 PHE 63 62 62 PHE PHE B . n +B 2 64 TYR 64 63 63 TYR TYR B . n +B 2 65 LEU 65 64 64 LEU LEU B . n +B 2 66 LEU 66 65 65 LEU LEU B . n +B 2 67 TYR 67 66 66 TYR TYR B . n +B 2 68 TYR 68 67 67 TYR TYR B . n +B 2 69 THR 69 68 68 THR THR B . n +B 2 70 GLU 70 69 69 GLU GLU B . n +B 2 71 PHE 71 70 70 PHE PHE B . n +B 2 72 THR 72 71 71 THR THR B . n +B 2 73 PRO 73 72 72 PRO PRO B . n +B 2 74 THR 74 73 73 THR THR B . n +B 2 75 GLU 75 74 74 GLU GLU B . n +B 2 76 LYS 76 75 75 LYS LYS B . n +B 2 77 ASP 77 76 76 ASP ASP B . n +B 2 78 GLU 78 77 77 GLU GLU B . n +B 2 79 TYR 79 78 78 TYR TYR B . n +B 2 80 ALA 80 79 79 ALA ALA B . n +B 2 81 CYS 81 80 80 CYS CYS B . n +B 2 82 ARG 82 81 81 ARG ARG B . n +B 2 83 VAL 83 82 82 VAL VAL B . n +B 2 84 ASN 84 83 83 ASN ASN B . n +B 2 85 HIS 85 84 84 HIS HIS B . n +B 2 86 VAL 86 85 85 VAL VAL B . n +B 2 87 THR 87 86 86 THR THR B . n +B 2 88 LEU 88 87 87 LEU LEU B . n +B 2 89 SER 89 88 88 SER SER B . n +B 2 90 GLN 90 89 89 GLN GLN B . n +B 2 91 PRO 91 90 90 PRO PRO B . n +B 2 92 LYS 92 91 91 LYS LYS B . n +B 2 93 ILE 93 92 92 ILE ILE B . n +B 2 94 VAL 94 93 93 VAL VAL B . n +B 2 95 LYS 95 94 94 LYS LYS B . n +B 2 96 TRP 96 95 95 TRP TRP B . n +B 2 97 ASP 97 96 96 ASP ASP B . n +B 2 98 ARG 98 97 97 ARG ARG B . n +B 2 99 ASP 99 98 98 ASP ASP B . n +B 2 100 MET 100 99 99 MET MET B . n +C 3 1 LEU 1 1 1 LEU LEU C . n +C 3 2 LEU 2 2 2 LEU LEU C . n +C 3 3 PHE 3 3 3 PHE PHE C . n +C 3 4 GLY 4 4 4 GLY GLY C . n +C 3 5 TYR 5 5 5 TYR TYR C . n +C 3 6 PRO 6 6 6 PRO PRO C . n +C 3 7 VAL 7 7 7 VAL VAL C . n +C 3 8 TYR 8 8 8 TYR TYR C . n +C 3 9 VAL 9 9 9 VAL VAL C . n +D 4 1 GLN 1 1 1 GLN GLN D . n +D 4 2 GLN 2 2 2 GLN GLN D . n +D 4 3 VAL 3 3 3 VAL VAL D . n +D 4 4 LYS 4 4 4 LYS LYS D . n +D 4 5 GLN 5 5 5 GLN GLN D . n +D 4 6 ASN 6 6 6 ASN ASN D . n +D 4 7 SER 7 7 7 SER SER D . n +D 4 8 PRO 8 8 8 PRO PRO D . n +D 4 9 SER 9 9 9 SER SER D . n +D 4 10 LEU 10 10 10 LEU LEU D . n +D 4 11 SER 11 11 11 SER SER D . n +D 4 12 VAL 12 12 12 VAL VAL D . n +D 4 13 GLN 13 13 13 GLN GLN D . n +D 4 14 GLU 14 14 14 GLU GLU D . n +D 4 15 GLY 15 15 15 GLY GLY D . n +D 4 16 ARG 16 16 16 ARG ARG D . n +D 4 17 ILE 17 17 17 ILE ILE D . n +D 4 18 SER 18 18 18 SER SER D . n +D 4 19 ILE 19 19 19 ILE ILE D . n +D 4 20 LEU 20 20 20 LEU LEU D . n +D 4 21 ASN 21 21 21 ASN ASN D . n +D 4 22 CYS 22 22 22 CYS CYS D . n +D 4 23 ASP 23 23 23 ASP ASP D . n +D 4 24 TYR 24 24 24 TYR TYR D . n +D 4 25 THR 25 25 25 THR THR D . n +D 4 26 ASN 26 26 26 ASN ASN D . n +D 4 27 SER 27 27 27 SER SER D . n +D 4 28 MET 28 28 28 MET MET D . n +D 4 29 PHE 29 29 29 PHE PHE D . n +D 4 30 ASP 30 30 30 ASP ASP D . n +D 4 31 TYR 31 31 31 TYR TYR D . n +D 4 32 PHE 32 32 32 PHE PHE D . n +D 4 33 LEU 33 33 33 LEU LEU D . n +D 4 34 TRP 34 34 34 TRP TRP D . n +D 4 35 TYR 35 35 35 TYR TYR D . n +D 4 36 LYS 36 36 36 LYS LYS D . n +D 4 37 LYS 37 37 37 LYS LYS D . n +D 4 38 TYR 38 38 38 TYR TYR D . n +D 4 39 PRO 39 39 39 PRO PRO D . n +D 4 40 ALA 40 40 40 ALA ALA D . n +D 4 41 GLU 41 41 41 GLU GLU D . n +D 4 42 GLY 42 42 42 GLY GLY D . n +D 4 43 PRO 43 43 43 PRO PRO D . n +D 4 44 THR 44 44 44 THR THR D . n +D 4 45 PHE 45 45 45 PHE PHE D . n +D 4 46 LEU 46 46 46 LEU LEU D . n +D 4 47 ILE 47 47 47 ILE ILE D . n +D 4 48 SER 48 48 48 SER SER D . n +D 4 49 ILE 49 49 49 ILE ILE D . n +D 4 50 SER 50 50 50 SER SER D . n +D 4 51 SER 51 51 51 SER SER D . n +D 4 52 ILE 52 52 52 ILE ILE D . n +D 4 53 LYS 53 53 53 LYS LYS D . n +D 4 54 ASP 54 54 54 ASP ASP D . n +D 4 55 LYS 55 54 54 LYS LYS D A n +D 4 56 ASN 56 55 55 ASN ASN D . n +D 4 57 ALA 57 56 56 ALA ALA D . n +D 4 58 ASP 58 57 57 ASP ASP D . n +D 4 59 GLY 59 58 58 GLY GLY D . n +D 4 60 ARG 60 61 61 ARG ARG D . n +D 4 61 PHE 61 62 62 PHE PHE D . n +D 4 62 THR 62 63 63 THR THR D . n +D 4 63 VAL 63 64 64 VAL VAL D . n +D 4 64 PHE 64 65 65 PHE PHE D . n +D 4 65 LEU 65 66 66 LEU LEU D . n +D 4 66 ASN 66 67 67 ASN ASN D . n +D 4 67 LYS 67 68 68 LYS LYS D . n +D 4 68 SER 68 69 69 SER SER D . n +D 4 69 ALA 69 70 70 ALA ALA D . n +D 4 70 LYS 70 71 71 LYS LYS D . n +D 4 71 HIS 71 72 72 HIS HIS D . n +D 4 72 LEU 72 73 73 LEU LEU D . n +D 4 73 SER 73 74 74 SER SER D . n +D 4 74 LEU 74 75 75 LEU LEU D . n +D 4 75 HIS 75 76 76 HIS HIS D . n +D 4 76 ILE 76 77 77 ILE ILE D . n +D 4 77 VAL 77 78 78 VAL VAL D . n +D 4 78 PRO 78 79 79 PRO PRO D . n +D 4 79 SER 79 80 80 SER SER D . n +D 4 80 GLN 80 81 81 GLN GLN D . n +D 4 81 PRO 81 82 82 PRO PRO D . n +D 4 82 GLY 82 83 83 GLY GLY D . n +D 4 83 ASP 83 84 84 ASP ASP D . n +D 4 84 SER 84 85 85 SER SER D . n +D 4 85 ALA 85 86 86 ALA ALA D . n +D 4 86 VAL 86 87 87 VAL VAL D . n +D 4 87 TYR 87 88 88 TYR TYR D . n +D 4 88 PHE 88 89 89 PHE PHE D . n +D 4 89 CYS 89 90 90 CYS CYS D . n +D 4 90 ALA 90 91 91 ALA ALA D . n +D 4 91 ALA 91 92 92 ALA ALA D . n +D 4 92 MET 92 93 93 MET MET D . n +D 4 93 GLU 93 94 94 GLU GLU D . n +D 4 94 GLY 94 95 95 GLY GLY D . n +D 4 95 ALA 95 96 96 ALA ALA D . n +D 4 96 GLN 96 102 102 GLN GLN D . n +D 4 97 LYS 97 103 103 LYS LYS D . n +D 4 98 LEU 98 104 104 LEU LEU D . n +D 4 99 VAL 99 105 105 VAL VAL D . n +D 4 100 PHE 100 106 106 PHE PHE D . n +D 4 101 GLY 101 107 107 GLY GLY D . n +D 4 102 GLN 102 108 108 GLN GLN D . n +D 4 103 GLY 103 109 109 GLY GLY D . n +D 4 104 THR 104 110 110 THR THR D . n +D 4 105 ARG 105 111 111 ARG ARG D . n +D 4 106 LEU 106 112 112 LEU LEU D . n +D 4 107 THR 107 113 113 THR THR D . n +D 4 108 ILE 108 114 114 ILE ILE D . n +D 4 109 ASN 109 115 115 ASN ASN D . n +D 4 110 PRO 110 116 116 PRO PRO D . n +D 4 111 ASN 111 117 117 ASN ASN D . n +D 4 112 ILE 112 118 118 ILE ILE D . n +D 4 113 GLN 113 119 119 GLN GLN D . n +D 4 114 ASN 114 120 120 ASN ASN D . n +D 4 115 PRO 115 121 121 PRO PRO D . n +D 4 116 ASP 116 122 122 ASP ASP D . n +D 4 117 PRO 117 123 123 PRO PRO D . n +D 4 118 ALA 118 124 124 ALA ALA D . n +D 4 119 VAL 119 125 125 VAL VAL D . n +D 4 120 TYR 120 126 126 TYR TYR D . n +D 4 121 GLN 121 127 127 GLN GLN D . n +D 4 122 LEU 122 128 128 LEU LEU D . n +D 4 123 ARG 123 129 129 ARG ARG D . n +D 4 124 ASP 124 130 130 ASP ASP D . n +D 4 125 SER 125 131 131 SER SER D . n +D 4 126 LYS 126 132 132 LYS LYS D . n +D 4 127 SER 127 133 ? ? ? D . n +D 4 128 SER 128 134 ? ? ? D . n +D 4 129 ASP 129 135 ? ? ? D . n +D 4 130 LYS 130 136 ? ? ? D . n +D 4 131 SER 131 137 137 SER SER D . n +D 4 132 VAL 132 138 138 VAL VAL D . n +D 4 133 CYS 133 139 139 CYS CYS D . n +D 4 134 LEU 134 140 140 LEU LEU D . n +D 4 135 PHE 135 141 141 PHE PHE D . n +D 4 136 THR 136 142 142 THR THR D . n +D 4 137 ASP 137 143 143 ASP ASP D . n +D 4 138 PHE 138 144 144 PHE PHE D . n +D 4 139 ASP 139 145 145 ASP ASP D . n +D 4 140 SER 140 146 146 SER SER D . n +D 4 141 GLN 141 147 147 GLN GLN D . n +D 4 142 THR 142 148 148 THR THR D . n +D 4 143 ASN 143 149 149 ASN ASN D . n +D 4 144 VAL 144 150 150 VAL VAL D . n +D 4 145 SER 145 151 151 SER SER D . n +D 4 146 GLN 146 152 152 GLN GLN D . n +D 4 147 SER 147 153 153 SER SER D . n +D 4 148 LYS 148 154 154 LYS LYS D . n +D 4 149 ASP 149 155 155 ASP ASP D . n +D 4 150 SER 150 156 156 SER SER D . n +D 4 151 ASP 151 157 157 ASP ASP D . n +D 4 152 VAL 152 158 158 VAL VAL D . n +D 4 153 TYR 153 159 159 TYR TYR D . n +D 4 154 ILE 154 160 160 ILE ILE D . n +D 4 155 THR 155 161 161 THR THR D . n +D 4 156 ASP 156 162 162 ASP ASP D . n +D 4 157 LYS 157 163 163 LYS LYS D . n +D 4 158 THR 158 164 164 THR THR D . n +D 4 159 VAL 159 165 165 VAL VAL D . n +D 4 160 LEU 160 166 166 LEU LEU D . n +D 4 161 ASP 161 167 167 ASP ASP D . n +D 4 162 MET 162 168 168 MET MET D . n +D 4 163 ARG 163 169 169 ARG ARG D . n +D 4 164 SER 164 170 ? ? ? D . n +D 4 165 MET 165 171 ? ? ? D . n +D 4 166 ASP 166 172 ? ? ? D . n +D 4 167 PHE 167 173 173 PHE PHE D . n +D 4 168 LYS 168 174 174 LYS LYS D . n +D 4 169 SER 169 175 175 SER SER D . n +D 4 170 ASN 170 176 176 ASN ASN D . n +D 4 171 SER 171 177 177 SER SER D . n +D 4 172 ALA 172 178 178 ALA ALA D . n +D 4 173 VAL 173 179 179 VAL VAL D . n +D 4 174 ALA 174 180 180 ALA ALA D . n +D 4 175 TRP 175 181 181 TRP TRP D . n +D 4 176 SER 176 182 182 SER SER D . n +D 4 177 ASN 177 183 183 ASN ASN D . n +D 4 178 LYS 178 184 184 LYS LYS D . n +D 4 179 SER 179 185 185 SER SER D . n +D 4 180 ASP 180 186 186 ASP ASP D . n +D 4 181 PHE 181 187 187 PHE PHE D . n +D 4 182 ALA 182 188 188 ALA ALA D . n +D 4 183 CYS 183 189 189 CYS CYS D . n +D 4 184 ALA 184 190 190 ALA ALA D . n +D 4 185 ASN 185 191 191 ASN ASN D . n +D 4 186 ALA 186 192 192 ALA ALA D . n +D 4 187 PHE 187 193 193 PHE PHE D . n +D 4 188 ASN 188 194 194 ASN ASN D . n +D 4 189 ASN 189 195 195 ASN ASN D . n +D 4 190 SER 190 196 196 SER SER D . n +D 4 191 ILE 191 197 197 ILE ILE D . n +D 4 192 ILE 192 198 198 ILE ILE D . n +D 4 193 PRO 193 199 199 PRO PRO D . n +D 4 194 GLU 194 200 200 GLU GLU D . n +D 4 195 ASP 195 201 201 ASP ASP D . n +D 4 196 THR 196 202 202 THR THR D . n +D 4 197 PHE 197 203 203 PHE PHE D . n +D 4 198 PHE 198 204 ? ? ? D . n +D 4 199 PRO 199 205 ? ? ? D . n +D 4 200 SER 200 206 ? ? ? D . n +D 4 201 PRO 201 207 ? ? ? D . n +D 4 202 GLU 202 208 ? ? ? D . n +D 4 203 SER 203 209 ? ? ? D . n +D 4 204 SER 204 210 ? ? ? D . n +E 5 1 ASN 1 1 ? ? ? E . n +E 5 2 ALA 2 2 ? ? ? E . n +E 5 3 GLY 3 3 3 GLY GLY E . n +E 5 4 VAL 4 4 4 VAL VAL E . n +E 5 5 THR 5 5 5 THR THR E . n +E 5 6 GLN 6 6 6 GLN GLN E . n +E 5 7 THR 7 7 7 THR THR E . n +E 5 8 PRO 8 8 8 PRO PRO E . n +E 5 9 LYS 9 9 9 LYS LYS E . n +E 5 10 PHE 10 10 10 PHE PHE E . n +E 5 11 GLN 11 11 11 GLN GLN E . n +E 5 12 VAL 12 12 12 VAL VAL E . n +E 5 13 LEU 13 13 13 LEU LEU E . n +E 5 14 LYS 14 14 14 LYS LYS E . n +E 5 15 THR 15 15 15 THR THR E . n +E 5 16 GLY 16 16 16 GLY GLY E . n +E 5 17 GLN 17 17 17 GLN GLN E . n +E 5 18 SER 18 18 18 SER SER E . n +E 5 19 MET 19 19 19 MET MET E . n +E 5 20 THR 20 20 20 THR THR E . n +E 5 21 LEU 21 21 21 LEU LEU E . n +E 5 22 GLN 22 22 22 GLN GLN E . n +E 5 23 CYS 23 23 23 CYS CYS E . n +E 5 24 ALA 24 24 24 ALA ALA E . n +E 5 25 GLN 25 25 25 GLN GLN E . n +E 5 26 ASP 26 26 26 ASP ASP E . n +E 5 27 MET 27 27 27 MET MET E . n +E 5 28 ASN 28 28 28 ASN ASN E . n +E 5 29 HIS 29 29 29 HIS HIS E . n +E 5 30 GLU 30 30 30 GLU GLU E . n +E 5 31 TYR 31 31 31 TYR TYR E . n +E 5 32 MET 32 32 32 MET MET E . n +E 5 33 SER 33 33 33 SER SER E . n +E 5 34 TRP 34 34 34 TRP TRP E . n +E 5 35 TYR 35 35 35 TYR TYR E . n +E 5 36 ARG 36 36 36 ARG ARG E . n +E 5 37 GLN 37 37 37 GLN GLN E . n +E 5 38 ASP 38 38 38 ASP ASP E . n +E 5 39 PRO 39 39 39 PRO PRO E . n +E 5 40 GLY 40 40 40 GLY GLY E . n +E 5 41 MET 41 41 41 MET MET E . n +E 5 42 GLY 42 42 42 GLY GLY E . n +E 5 43 LEU 43 43 43 LEU LEU E . n +E 5 44 ARG 44 44 44 ARG ARG E . n +E 5 45 LEU 45 45 45 LEU LEU E . n +E 5 46 ILE 46 46 46 ILE ILE E . n +E 5 47 HIS 47 47 47 HIS HIS E . n +E 5 48 TYR 48 48 48 TYR TYR E . n +E 5 49 SER 49 49 49 SER SER E . n +E 5 50 VAL 50 50 50 VAL VAL E . n +E 5 51 GLY 51 51 51 GLY GLY E . n +E 5 52 ALA 52 52 52 ALA ALA E . n +E 5 53 GLY 53 53 53 GLY GLY E . n +E 5 54 ILE 54 54 54 ILE ILE E . n +E 5 55 THR 55 55 55 THR THR E . n +E 5 56 ASP 56 56 56 ASP ASP E . n +E 5 57 GLN 57 57 57 GLN GLN E . n +E 5 58 GLY 58 58 58 GLY GLY E . n +E 5 59 GLU 59 59 59 GLU GLU E . n +E 5 60 VAL 60 60 60 VAL VAL E . n +E 5 61 PRO 61 61 61 PRO PRO E . n +E 5 62 ASN 62 62 62 ASN ASN E . n +E 5 63 GLY 63 63 63 GLY GLY E . n +E 5 64 TYR 64 65 65 TYR TYR E . n +E 5 65 ASN 65 66 66 ASN ASN E . n +E 5 66 VAL 66 67 67 VAL VAL E . n +E 5 67 SER 67 68 68 SER SER E . n +E 5 68 ARG 68 69 69 ARG ARG E . n +E 5 69 SER 69 70 70 SER SER E . n +E 5 70 THR 70 71 71 THR THR E . n +E 5 71 THR 71 72 72 THR THR E . n +E 5 72 GLU 72 73 73 GLU GLU E . n +E 5 73 ASP 73 74 74 ASP ASP E . n +E 5 74 PHE 74 75 75 PHE PHE E . n +E 5 75 PRO 75 76 76 PRO PRO E . n +E 5 76 LEU 76 77 77 LEU LEU E . n +E 5 77 ARG 77 78 78 ARG ARG E . n +E 5 78 LEU 78 79 79 LEU LEU E . n +E 5 79 LEU 79 80 80 LEU LEU E . n +E 5 80 SER 80 81 81 SER SER E . n +E 5 81 ALA 81 82 82 ALA ALA E . n +E 5 82 ALA 82 83 83 ALA ALA E . n +E 5 83 PRO 83 84 84 PRO PRO E . n +E 5 84 SER 84 85 85 SER SER E . n +E 5 85 GLN 85 86 86 GLN GLN E . n +E 5 86 THR 86 87 87 THR THR E . n +E 5 87 SER 87 88 88 SER SER E . n +E 5 88 VAL 88 89 89 VAL VAL E . n +E 5 89 TYR 89 90 90 TYR TYR E . n +E 5 90 PHE 90 91 91 PHE PHE E . n +E 5 91 CYS 91 92 92 CYS CYS E . n +E 5 92 ALA 92 93 93 ALA ALA E . n +E 5 93 SER 93 94 94 SER SER E . n +E 5 94 SER 94 95 95 SER SER E . n +E 5 95 TYR 95 96 96 TYR TYR E . n +E 5 96 PRO 96 97 97 PRO PRO E . n +E 5 97 GLY 97 98 98 GLY GLY E . n +E 5 98 GLY 98 99 99 GLY GLY E . n +E 5 99 GLY 99 100 100 GLY GLY E . n +E 5 100 PHE 100 101 101 PHE PHE E . n +E 5 101 TYR 101 104 104 TYR TYR E . n +E 5 102 GLU 102 105 105 GLU GLU E . n +E 5 103 GLN 103 106 106 GLN GLN E . n +E 5 104 TYR 104 107 107 TYR TYR E . n +E 5 105 PHE 105 108 108 PHE PHE E . n +E 5 106 GLY 106 109 109 GLY GLY E . n +E 5 107 PRO 107 110 110 PRO PRO E . n +E 5 108 GLY 108 111 111 GLY GLY E . n +E 5 109 THR 109 112 112 THR THR E . n +E 5 110 ARG 110 113 113 ARG ARG E . n +E 5 111 LEU 111 114 114 LEU LEU E . n +E 5 112 THR 112 115 115 THR THR E . n +E 5 113 VAL 113 116 116 VAL VAL E . n +E 5 114 THR 114 117 117 THR THR E . n +E 5 115 GLU 115 118 118 GLU GLU E . n +E 5 116 ASP 116 119 119 ASP ASP E . n +E 5 117 LEU 117 120 120 LEU LEU E . n +E 5 118 LYS 118 121 121 LYS LYS E . n +E 5 119 ASN 119 122 122 ASN ASN E . n +E 5 120 VAL 120 123 123 VAL VAL E . n +E 5 121 PHE 121 124 124 PHE PHE E . n +E 5 122 PRO 122 125 125 PRO PRO E . n +E 5 123 PRO 123 126 126 PRO PRO E . n +E 5 124 GLU 124 127 127 GLU GLU E . n +E 5 125 VAL 125 128 128 VAL VAL E . n +E 5 126 ALA 126 129 129 ALA ALA E . n +E 5 127 VAL 127 130 130 VAL VAL E . n +E 5 128 PHE 128 131 131 PHE PHE E . n +E 5 129 GLU 129 132 132 GLU GLU E . n +E 5 130 PRO 130 133 133 PRO PRO E . n +E 5 131 SER 131 134 134 SER SER E . n +E 5 132 GLU 132 135 135 GLU GLU E . n +E 5 133 ALA 133 136 136 ALA ALA E . n +E 5 134 GLU 134 137 137 GLU GLU E . n +E 5 135 ILE 135 138 138 ILE ILE E . n +E 5 136 SER 136 139 139 SER SER E . n +E 5 137 HIS 137 140 140 HIS HIS E . n +E 5 138 THR 138 141 141 THR THR E . n +E 5 139 GLN 139 142 142 GLN GLN E . n +E 5 140 LYS 140 143 143 LYS LYS E . n +E 5 141 ALA 141 144 144 ALA ALA E . n +E 5 142 THR 142 145 145 THR THR E . n +E 5 143 LEU 143 146 146 LEU LEU E . n +E 5 144 VAL 144 147 147 VAL VAL E . n +E 5 145 CYS 145 148 148 CYS CYS E . n +E 5 146 LEU 146 149 149 LEU LEU E . n +E 5 147 ALA 147 150 150 ALA ALA E . n +E 5 148 THR 148 151 151 THR THR E . n +E 5 149 GLY 149 152 152 GLY GLY E . n +E 5 150 PHE 150 153 153 PHE PHE E . n +E 5 151 TYR 151 154 154 TYR TYR E . n +E 5 152 PRO 152 155 155 PRO PRO E . n +E 5 153 ASP 153 156 156 ASP ASP E . n +E 5 154 HIS 154 157 157 HIS HIS E . n +E 5 155 VAL 155 158 158 VAL VAL E . n +E 5 156 GLU 156 159 159 GLU GLU E . n +E 5 157 LEU 157 160 160 LEU LEU E . n +E 5 158 SER 158 161 161 SER SER E . n +E 5 159 TRP 159 162 162 TRP TRP E . n +E 5 160 TRP 160 163 163 TRP TRP E . n +E 5 161 VAL 161 164 164 VAL VAL E . n +E 5 162 ASN 162 165 165 ASN ASN E . n +E 5 163 GLY 163 166 166 GLY GLY E . n +E 5 164 LYS 164 167 167 LYS LYS E . n +E 5 165 GLU 165 168 168 GLU GLU E . n +E 5 166 VAL 166 169 169 VAL VAL E . n +E 5 167 HIS 167 170 170 HIS HIS E . n +E 5 168 SER 168 171 171 SER SER E . n +E 5 169 GLY 169 172 172 GLY GLY E . n +E 5 170 VAL 170 173 173 VAL VAL E . n +E 5 171 SER 171 174 174 SER SER E . n +E 5 172 THR 172 175 175 THR THR E . n +E 5 173 ASP 173 176 176 ASP ASP E . n +E 5 174 PRO 174 177 177 PRO PRO E . n +E 5 175 GLN 175 178 178 GLN GLN E . n +E 5 176 PRO 176 179 179 PRO PRO E . n +E 5 177 LEU 177 180 180 LEU LEU E . n +E 5 178 LYS 178 181 181 LYS LYS E . n +E 5 179 GLU 179 182 182 GLU GLU E . n +E 5 180 GLN 180 183 183 GLN GLN E . n +E 5 181 PRO 181 184 184 PRO PRO E . n +E 5 182 ALA 182 185 185 ALA ALA E . n +E 5 183 LEU 183 186 186 LEU LEU E . n +E 5 184 ASN 184 187 187 ASN ASN E . n +E 5 185 ASP 185 188 188 ASP ASP E . n +E 5 186 SER 186 189 189 SER SER E . n +E 5 187 ARG 187 190 190 ARG ARG E . n +E 5 188 TYR 188 191 191 TYR TYR E . n +E 5 189 ALA 189 192 192 ALA ALA E . n +E 5 190 LEU 190 193 193 LEU LEU E . n +E 5 191 SER 191 194 194 SER SER E . n +E 5 192 SER 192 195 195 SER SER E . n +E 5 193 ARG 193 196 196 ARG ARG E . n +E 5 194 LEU 194 197 197 LEU LEU E . n +E 5 195 ARG 195 198 198 ARG ARG E . n +E 5 196 VAL 196 199 199 VAL VAL E . n +E 5 197 SER 197 200 200 SER SER E . n +E 5 198 ALA 198 201 201 ALA ALA E . n +E 5 199 THR 199 202 202 THR THR E . n +E 5 200 PHE 200 203 203 PHE PHE E . n +E 5 201 TRP 201 204 204 TRP TRP E . n +E 5 202 GLN 202 205 205 GLN GLN E . n +E 5 203 ASP 203 206 206 ASP ASP E . n +E 5 204 PRO 204 207 207 PRO PRO E . n +E 5 205 ARG 205 208 208 ARG ARG E . n +E 5 206 ASN 206 209 209 ASN ASN E . n +E 5 207 HIS 207 210 210 HIS HIS E . n +E 5 208 PHE 208 211 211 PHE PHE E . n +E 5 209 ARG 209 212 212 ARG ARG E . n +E 5 210 CYS 210 213 213 CYS CYS E . n +E 5 211 GLN 211 214 214 GLN GLN E . n +E 5 212 VAL 212 215 215 VAL VAL E . n +E 5 213 GLN 213 216 216 GLN GLN E . n +E 5 214 PHE 214 217 217 PHE PHE E . n +E 5 215 TYR 215 218 218 TYR TYR E . n +E 5 216 GLY 216 219 219 GLY GLY E . n +E 5 217 LEU 217 220 220 LEU LEU E . n +E 5 218 SER 218 221 221 SER SER E . n +E 5 219 GLU 219 222 222 GLU GLU E . n +E 5 220 ASN 220 223 223 ASN ASN E . n +E 5 221 ASP 221 224 224 ASP ASP E . n +E 5 222 GLU 222 225 225 GLU GLU E . n +E 5 223 TRP 223 226 226 TRP TRP E . n +E 5 224 THR 224 227 227 THR THR E . n +E 5 225 GLN 225 228 228 GLN GLN E . n +E 5 226 ASP 226 229 229 ASP ASP E . n +E 5 227 ARG 227 230 230 ARG ARG E . n +E 5 228 ALA 228 231 231 ALA ALA E . n +E 5 229 LYS 229 232 232 LYS LYS E . n +E 5 230 PRO 230 233 233 PRO PRO E . n +E 5 231 VAL 231 234 234 VAL VAL E . n +E 5 232 THR 232 235 235 THR THR E . n +E 5 233 GLN 233 236 236 GLN GLN E . n +E 5 234 ILE 234 237 237 ILE ILE E . n +E 5 235 VAL 235 238 238 VAL VAL E . n +E 5 236 SER 236 239 239 SER SER E . n +E 5 237 ALA 237 240 240 ALA ALA E . n +E 5 238 GLU 238 241 241 GLU GLU E . n +E 5 239 ALA 239 242 242 ALA ALA E . n +E 5 240 TRP 240 243 243 TRP TRP E . n +E 5 241 GLY 241 244 244 GLY GLY E . n +E 5 242 ARG 242 245 245 ARG ARG E . n +E 5 243 ALA 243 246 246 ALA ALA E . n +E 5 244 ASP 244 247 247 ASP ASP E . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +F 6 HOH 1 276 1 HOH HOH A . +F 6 HOH 2 277 16 HOH HOH A . +F 6 HOH 3 278 22 HOH HOH A . +F 6 HOH 4 279 23 HOH HOH A . +F 6 HOH 5 280 24 HOH HOH A . +F 6 HOH 6 281 28 HOH HOH A . +F 6 HOH 7 282 29 HOH HOH A . +F 6 HOH 8 283 35 HOH HOH A . +F 6 HOH 9 284 39 HOH HOH A . +G 6 HOH 1 100 31 HOH HOH B . +G 6 HOH 2 101 33 HOH HOH B . +G 6 HOH 3 102 36 HOH HOH B . +G 6 HOH 4 103 37 HOH HOH B . +G 6 HOH 5 104 38 HOH HOH B . +H 6 HOH 1 211 2 HOH HOH D . +H 6 HOH 2 212 7 HOH HOH D . +H 6 HOH 3 213 11 HOH HOH D . +H 6 HOH 4 214 12 HOH HOH D . +H 6 HOH 5 215 13 HOH HOH D . +H 6 HOH 6 216 15 HOH HOH D . +H 6 HOH 7 217 17 HOH HOH D . +H 6 HOH 8 218 18 HOH HOH D . +H 6 HOH 9 219 21 HOH HOH D . +H 6 HOH 10 220 25 HOH HOH D . +H 6 HOH 11 221 26 HOH HOH D . +H 6 HOH 12 222 32 HOH HOH D . +H 6 HOH 13 223 34 HOH HOH D . +I 6 HOH 1 248 3 HOH HOH E . +I 6 HOH 2 249 4 HOH HOH E . +I 6 HOH 3 250 5 HOH HOH E . +I 6 HOH 4 251 6 HOH HOH E . +I 6 HOH 5 252 8 HOH HOH E . +I 6 HOH 6 253 9 HOH HOH E . +I 6 HOH 7 254 10 HOH HOH E . +I 6 HOH 8 255 14 HOH HOH E . +I 6 HOH 9 256 19 HOH HOH E . +I 6 HOH 10 257 20 HOH HOH E . +I 6 HOH 11 258 27 HOH HOH E . +I 6 HOH 12 259 30 HOH HOH E . +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 A ARG 17 ? CB ? A ARG 17 CB +2 1 Y 1 A ARG 17 ? CG ? A ARG 17 CG +3 1 Y 1 A ARG 17 ? CD ? A ARG 17 CD +4 1 Y 1 A ARG 17 ? NE ? A ARG 17 NE +5 1 Y 1 A ARG 17 ? CZ ? A ARG 17 CZ +6 1 Y 1 A ARG 17 ? NH1 ? A ARG 17 NH1 +7 1 Y 1 A ARG 17 ? NH2 ? A ARG 17 NH2 +8 1 Y 1 A GLN 54 ? CB ? A GLN 54 CB +9 1 Y 1 A GLN 54 ? CG ? A GLN 54 CG +10 1 Y 1 A GLN 54 ? CD ? A GLN 54 CD +11 1 Y 1 A GLN 54 ? OE1 ? A GLN 54 OE1 +12 1 Y 1 A GLN 54 ? NE2 ? A GLN 54 NE2 +13 1 Y 1 A ARG 170 ? CG ? A ARG 170 CG +14 1 Y 1 A ARG 170 ? CD ? A ARG 170 CD +15 1 Y 1 A ARG 170 ? NE ? A ARG 170 NE +16 1 Y 1 A ARG 170 ? CZ ? A ARG 170 CZ +17 1 Y 1 A ARG 170 ? NH1 ? A ARG 170 NH1 +18 1 Y 1 A ARG 170 ? NH2 ? A ARG 170 NH2 +19 1 Y 1 A GLU 177 ? CB ? A GLU 177 CB +20 1 Y 1 A GLU 177 ? CG ? A GLU 177 CG +21 1 Y 1 A GLU 177 ? CD ? A GLU 177 CD +22 1 Y 1 A GLU 177 ? OE1 ? A GLU 177 OE1 +23 1 Y 1 A GLU 177 ? OE2 ? A GLU 177 OE2 +24 1 Y 1 A HIS 192 ? CB ? A HIS 192 CB +25 1 Y 1 A HIS 192 ? CG ? A HIS 192 CG +26 1 Y 1 A HIS 192 ? ND1 ? A HIS 192 ND1 +27 1 Y 1 A HIS 192 ? CD2 ? A HIS 192 CD2 +28 1 Y 1 A HIS 192 ? CE1 ? A HIS 192 CE1 +29 1 Y 1 A HIS 192 ? NE2 ? A HIS 192 NE2 +30 1 Y 1 A GLU 222 ? CG ? A GLU 222 CG +31 1 Y 1 A GLU 222 ? CD ? A GLU 222 CD +32 1 Y 1 A GLU 222 ? OE1 ? A GLU 222 OE1 +33 1 Y 1 A GLU 222 ? OE2 ? A GLU 222 OE2 +34 1 Y 1 A ASP 223 ? CB ? A ASP 223 CB +35 1 Y 1 A ASP 223 ? CG ? A ASP 223 CG +36 1 Y 1 A ASP 223 ? OD1 ? A ASP 223 OD1 +37 1 Y 1 A ASP 223 ? OD2 ? A ASP 223 OD2 +38 1 Y 1 A GLN 226 ? CG ? A GLN 226 CG +39 1 Y 1 A GLN 226 ? CD ? A GLN 226 CD +40 1 Y 1 A GLN 226 ? OE1 ? A GLN 226 OE1 +41 1 Y 1 A GLN 226 ? NE2 ? A GLN 226 NE2 +42 1 Y 1 A ARG 256 ? CG ? A ARG 256 CG +43 1 Y 1 A ARG 256 ? CD ? A ARG 256 CD +44 1 Y 1 A ARG 256 ? NE ? A ARG 256 NE +45 1 Y 1 A ARG 256 ? CZ ? A ARG 256 CZ +46 1 Y 1 A ARG 256 ? NH1 ? A ARG 256 NH1 +47 1 Y 1 A ARG 256 ? NH2 ? A ARG 256 NH2 +48 1 Y 1 A GLU 264 ? CG ? A GLU 264 CG +49 1 Y 1 A GLU 264 ? CD ? A GLU 264 CD +50 1 Y 1 A GLU 264 ? OE1 ? A GLU 264 OE1 +51 1 Y 1 A GLU 264 ? OE2 ? A GLU 264 OE2 +52 1 Y 1 A LYS 268 ? CG ? A LYS 268 CG +53 1 Y 1 A LYS 268 ? CD ? A LYS 268 CD +54 1 Y 1 A LYS 268 ? CE ? A LYS 268 CE +55 1 Y 1 A LYS 268 ? NZ ? A LYS 268 NZ +56 1 Y 1 A ARG 273 ? CG ? A ARG 273 CG +57 1 Y 1 A ARG 273 ? CD ? A ARG 273 CD +58 1 Y 1 A ARG 273 ? NE ? A ARG 273 NE +59 1 Y 1 A ARG 273 ? CZ ? A ARG 273 CZ +60 1 Y 1 A ARG 273 ? NH1 ? A ARG 273 NH1 +61 1 Y 1 A ARG 273 ? NH2 ? A ARG 273 NH2 +62 1 Y 1 B LYS 19 ? CG ? B LYS 20 CG +63 1 Y 1 B LYS 19 ? CD ? B LYS 20 CD +64 1 Y 1 B LYS 19 ? CE ? B LYS 20 CE +65 1 Y 1 B LYS 19 ? NZ ? B LYS 20 NZ +66 1 Y 1 B GLU 44 ? CB ? B GLU 45 CB +67 1 Y 1 B GLU 44 ? CG ? B GLU 45 CG +68 1 Y 1 B GLU 44 ? CD ? B GLU 45 CD +69 1 Y 1 B GLU 44 ? OE1 ? B GLU 45 OE1 +70 1 Y 1 B GLU 44 ? OE2 ? B GLU 45 OE2 +71 1 Y 1 B GLU 47 ? CB ? B GLU 48 CB +72 1 Y 1 B GLU 47 ? CG ? B GLU 48 CG +73 1 Y 1 B GLU 47 ? CD ? B GLU 48 CD +74 1 Y 1 B GLU 47 ? OE1 ? B GLU 48 OE1 +75 1 Y 1 B GLU 47 ? OE2 ? B GLU 48 OE2 +76 1 Y 1 B LYS 58 ? CB ? B LYS 59 CB +77 1 Y 1 B LYS 58 ? CG ? B LYS 59 CG +78 1 Y 1 B LYS 58 ? CD ? B LYS 59 CD +79 1 Y 1 B LYS 58 ? CE ? B LYS 59 CE +80 1 Y 1 B LYS 58 ? NZ ? B LYS 59 NZ +81 1 Y 1 B GLU 74 ? CB ? B GLU 75 CB +82 1 Y 1 B GLU 74 ? CG ? B GLU 75 CG +83 1 Y 1 B GLU 74 ? CD ? B GLU 75 CD +84 1 Y 1 B GLU 74 ? OE1 ? B GLU 75 OE1 +85 1 Y 1 B GLU 74 ? OE2 ? B GLU 75 OE2 +86 1 Y 1 D LYS 4 ? CG ? D LYS 4 CG +87 1 Y 1 D LYS 4 ? CD ? D LYS 4 CD +88 1 Y 1 D LYS 4 ? CE ? D LYS 4 CE +89 1 Y 1 D LYS 4 ? NZ ? D LYS 4 NZ +90 1 Y 1 D ARG 16 ? CG ? D ARG 16 CG +91 1 Y 1 D ARG 16 ? CD ? D ARG 16 CD +92 1 Y 1 D ARG 16 ? NE ? D ARG 16 NE +93 1 Y 1 D ARG 16 ? CZ ? D ARG 16 CZ +94 1 Y 1 D ARG 16 ? NH1 ? D ARG 16 NH1 +95 1 Y 1 D ARG 16 ? NH2 ? D ARG 16 NH2 +96 1 Y 1 D ILE 19 ? CG1 ? D ILE 19 CG1 +97 1 Y 1 D ILE 19 ? CG2 ? D ILE 19 CG2 +98 1 Y 1 D ILE 19 ? CD1 ? D ILE 19 CD1 +99 1 Y 1 D LEU 20 ? CG ? D LEU 20 CG +100 1 Y 1 D LEU 20 ? CD1 ? D LEU 20 CD1 +101 1 Y 1 D LEU 20 ? CD2 ? D LEU 20 CD2 +102 1 Y 1 D LYS 53 ? CG ? D LYS 53 CG +103 1 Y 1 D LYS 53 ? CD ? D LYS 53 CD +104 1 Y 1 D LYS 53 ? CE ? D LYS 53 CE +105 1 Y 1 D LYS 53 ? NZ ? D LYS 53 NZ +106 1 Y 1 D LYS 54 A CG ? D LYS 55 CG +107 1 Y 1 D LYS 54 A CD ? D LYS 55 CD +108 1 Y 1 D LYS 54 A CE ? D LYS 55 CE +109 1 Y 1 D LYS 54 A NZ ? D LYS 55 NZ +110 1 Y 1 D LYS 71 ? CG ? D LYS 70 CG +111 1 Y 1 D LYS 71 ? CD ? D LYS 70 CD +112 1 Y 1 D LYS 71 ? CE ? D LYS 70 CE +113 1 Y 1 D LYS 71 ? NZ ? D LYS 70 NZ +114 1 Y 1 D ILE 114 ? CG1 ? D ILE 108 CG1 +115 1 Y 1 D ILE 114 ? CG2 ? D ILE 108 CG2 +116 1 Y 1 D ILE 114 ? CD1 ? D ILE 108 CD1 +117 1 Y 1 D GLN 119 ? CG ? D GLN 113 CG +118 1 Y 1 D GLN 119 ? CD ? D GLN 113 CD +119 1 Y 1 D GLN 119 ? OE1 ? D GLN 113 OE1 +120 1 Y 1 D GLN 119 ? NE2 ? D GLN 113 NE2 +121 1 Y 1 D ARG 129 ? CG ? D ARG 123 CG +122 1 Y 1 D ARG 129 ? CD ? D ARG 123 CD +123 1 Y 1 D ARG 129 ? NE ? D ARG 123 NE +124 1 Y 1 D ARG 129 ? CZ ? D ARG 123 CZ +125 1 Y 1 D ARG 129 ? NH1 ? D ARG 123 NH1 +126 1 Y 1 D ARG 129 ? NH2 ? D ARG 123 NH2 +127 1 Y 1 D LYS 132 ? CG ? D LYS 126 CG +128 1 Y 1 D LYS 132 ? CD ? D LYS 126 CD +129 1 Y 1 D LYS 132 ? CE ? D LYS 126 CE +130 1 Y 1 D LYS 132 ? NZ ? D LYS 126 NZ +131 1 Y 1 D SER 137 ? OG ? D SER 131 OG +132 1 Y 1 D LYS 154 ? CG ? D LYS 148 CG +133 1 Y 1 D LYS 154 ? CD ? D LYS 148 CD +134 1 Y 1 D LYS 154 ? CE ? D LYS 148 CE +135 1 Y 1 D LYS 154 ? NZ ? D LYS 148 NZ +136 1 Y 1 D SER 156 ? OG ? D SER 150 OG +137 1 Y 1 D LYS 163 ? CG ? D LYS 157 CG +138 1 Y 1 D LYS 163 ? CD ? D LYS 157 CD +139 1 Y 1 D LYS 163 ? CE ? D LYS 157 CE +140 1 Y 1 D LYS 163 ? NZ ? D LYS 157 NZ +141 1 Y 1 D ARG 169 ? CG ? D ARG 163 CG +142 1 Y 1 D ARG 169 ? CD ? D ARG 163 CD +143 1 Y 1 D ARG 169 ? NE ? D ARG 163 NE +144 1 Y 1 D ARG 169 ? CZ ? D ARG 163 CZ +145 1 Y 1 D ARG 169 ? NH1 ? D ARG 163 NH1 +146 1 Y 1 D ARG 169 ? NH2 ? D ARG 163 NH2 +147 1 Y 1 D SER 185 ? OG ? D SER 179 OG +148 1 Y 1 D ASP 186 ? CG ? D ASP 180 CG +149 1 Y 1 D ASP 186 ? OD1 ? D ASP 180 OD1 +150 1 Y 1 D ASP 186 ? OD2 ? D ASP 180 OD2 +151 1 Y 1 D ASN 191 ? CG ? D ASN 185 CG +152 1 Y 1 D ASN 191 ? OD1 ? D ASN 185 OD1 +153 1 Y 1 D ASN 191 ? ND2 ? D ASN 185 ND2 +154 1 Y 1 D ASN 194 ? CG ? D ASN 188 CG +155 1 Y 1 D ASN 194 ? OD1 ? D ASN 188 OD1 +156 1 Y 1 D ASN 194 ? ND2 ? D ASN 188 ND2 +157 1 Y 1 D PRO 199 ? CG ? D PRO 193 CG +158 1 Y 1 D PRO 199 ? CD ? D PRO 193 CD +159 1 Y 1 E ASP 26 ? CG ? E ASP 26 CG +160 1 Y 1 E ASP 26 ? OD1 ? E ASP 26 OD1 +161 1 Y 1 E ASP 26 ? OD2 ? E ASP 26 OD2 +162 1 Y 1 E GLU 30 ? CG ? E GLU 30 CG +163 1 Y 1 E GLU 30 ? CD ? E GLU 30 CD +164 1 Y 1 E GLU 30 ? OE1 ? E GLU 30 OE1 +165 1 Y 1 E GLU 30 ? OE2 ? E GLU 30 OE2 +166 1 Y 1 E MET 41 ? CG ? E MET 41 CG +167 1 Y 1 E MET 41 ? SD ? E MET 41 SD +168 1 Y 1 E MET 41 ? CE ? E MET 41 CE +169 1 Y 1 E ARG 78 ? CG ? E ARG 77 CG +170 1 Y 1 E ARG 78 ? CD ? E ARG 77 CD +171 1 Y 1 E ARG 78 ? NE ? E ARG 77 NE +172 1 Y 1 E ARG 78 ? CZ ? E ARG 77 CZ +173 1 Y 1 E ARG 78 ? NH1 ? E ARG 77 NH1 +174 1 Y 1 E ARG 78 ? NH2 ? E ARG 77 NH2 +175 1 Y 1 E ASP 119 ? CG ? E ASP 116 CG +176 1 Y 1 E ASP 119 ? OD1 ? E ASP 116 OD1 +177 1 Y 1 E ASP 119 ? OD2 ? E ASP 116 OD2 +178 1 Y 1 E LYS 121 ? CG ? E LYS 118 CG +179 1 Y 1 E LYS 121 ? CD ? E LYS 118 CD +180 1 Y 1 E LYS 121 ? CE ? E LYS 118 CE +181 1 Y 1 E LYS 121 ? NZ ? E LYS 118 NZ +182 1 Y 1 E GLU 135 ? CG ? E GLU 132 CG +183 1 Y 1 E GLU 135 ? CD ? E GLU 132 CD +184 1 Y 1 E GLU 135 ? OE1 ? E GLU 132 OE1 +185 1 Y 1 E GLU 135 ? OE2 ? E GLU 132 OE2 +186 1 Y 1 E ILE 138 ? CG1 ? E ILE 135 CG1 +187 1 Y 1 E ILE 138 ? CG2 ? E ILE 135 CG2 +188 1 Y 1 E ILE 138 ? CD1 ? E ILE 135 CD1 +189 1 Y 1 E GLN 178 ? CG ? E GLN 175 CG +190 1 Y 1 E GLN 178 ? CD ? E GLN 175 CD +191 1 Y 1 E GLN 178 ? OE1 ? E GLN 175 OE1 +192 1 Y 1 E GLN 178 ? NE2 ? E GLN 175 NE2 +193 1 Y 1 E LYS 181 ? CG ? E LYS 178 CG +194 1 Y 1 E LYS 181 ? CD ? E LYS 178 CD +195 1 Y 1 E LYS 181 ? CE ? E LYS 178 CE +196 1 Y 1 E LYS 181 ? NZ ? E LYS 178 NZ +197 1 Y 1 E ASP 188 ? CG ? E ASP 185 CG +198 1 Y 1 E ASP 188 ? OD1 ? E ASP 185 OD1 +199 1 Y 1 E ASP 188 ? OD2 ? E ASP 185 OD2 +200 1 Y 1 E ARG 190 ? CG ? E ARG 187 CG +201 1 Y 1 E ARG 190 ? CD ? E ARG 187 CD +202 1 Y 1 E ARG 190 ? NE ? E ARG 187 NE +203 1 Y 1 E ARG 190 ? CZ ? E ARG 187 CZ +204 1 Y 1 E ARG 190 ? NH1 ? E ARG 187 NH1 +205 1 Y 1 E ARG 190 ? NH2 ? E ARG 187 NH2 +206 1 Y 1 E GLU 222 ? CG ? E GLU 219 CG +207 1 Y 1 E GLU 222 ? CD ? E GLU 219 CD +208 1 Y 1 E GLU 222 ? OE1 ? E GLU 219 OE1 +209 1 Y 1 E GLU 222 ? OE2 ? E GLU 219 OE2 +210 1 Y 1 E ASN 223 ? CG ? E ASN 220 CG +211 1 Y 1 E ASN 223 ? OD1 ? E ASN 220 OD1 +212 1 Y 1 E ASN 223 ? ND2 ? E ASN 220 ND2 +213 1 Y 1 E GLU 225 ? CG ? E GLU 222 CG +214 1 Y 1 E GLU 225 ? CD ? E GLU 222 CD +215 1 Y 1 E GLU 225 ? OE1 ? E GLU 222 OE1 +216 1 Y 1 E GLU 225 ? OE2 ? E GLU 222 OE2 +217 1 Y 1 E THR 227 ? OG1 ? E THR 224 OG1 +218 1 Y 1 E THR 227 ? CG2 ? E THR 224 CG2 +219 1 Y 1 E ASP 229 ? CB ? E ASP 226 CB +220 1 Y 1 E ASP 229 ? CG ? E ASP 226 CG +221 1 Y 1 E ASP 229 ? OD1 ? E ASP 226 OD1 +222 1 Y 1 E ASP 229 ? OD2 ? E ASP 226 OD2 +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +DENZO 'data reduction' . ? 1 +SCALEPACK 'data scaling' . ? 2 +X-PLOR 'model building' 3.851 ? 3 +X-PLOR refinement 3.851 ? 4 +X-PLOR phasing 3.851 ? 5 +# +_cell.entry_id 1BD2 +_cell.length_a 63.800 +_cell.length_b 73.300 +_cell.length_c 217.700 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 90.00 +_cell.Z_PDB 4 +_cell.pdbx_unique_axis ? +_cell.length_a_esd ? +_cell.length_b_esd ? +_cell.length_c_esd ? +_cell.angle_alpha_esd ? +_cell.angle_beta_esd ? +_cell.angle_gamma_esd ? +# +_symmetry.entry_id 1BD2 +_symmetry.space_group_name_H-M 'P 21 21 21' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 19 +_symmetry.space_group_name_Hall ? +# +_exptl.entry_id 1BD2 +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 2.68 +_exptl_crystal.density_percent_sol 58 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method ? +_exptl_crystal_grow.temp ? +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pH 7.1 +_exptl_crystal_grow.pdbx_pH_range ? +_exptl_crystal_grow.pdbx_details '12% PEG8000, 20MM MOPS, 100MM MAGNESIUM ACETATE,PH7.1' +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type 'ADSC QUANTUM' +_diffrn_detector.pdbx_collection_date 1997-02-05 +_diffrn_detector.details ? +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator ? +_diffrn_radiation.pdbx_diffrn_protocol ? +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.908 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'CHESS BEAMLINE A1' +_diffrn_source.pdbx_synchrotron_site CHESS +_diffrn_source.pdbx_synchrotron_beamline A1 +_diffrn_source.pdbx_wavelength 0.908 +_diffrn_source.pdbx_wavelength_list ? +# +_reflns.entry_id 1BD2 +_reflns.observed_criterion_sigma_I -3.0 +_reflns.observed_criterion_sigma_F ? +_reflns.d_resolution_low 20 +_reflns.d_resolution_high 2.5 +_reflns.number_obs 33899 +_reflns.number_all ? +_reflns.percent_possible_obs 91.2 +_reflns.pdbx_Rmerge_I_obs 0.11 +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_sigmaI ? +_reflns.B_iso_Wilson_estimate 59.1 +_reflns.pdbx_redundancy 4.2 +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_chi_squared ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_ordinal 1 +_reflns.pdbx_diffrn_id 1 +# +_reflns_shell.d_res_high 2.50 +_reflns_shell.d_res_low 2.59 +_reflns_shell.percent_possible_all 85.1 +_reflns_shell.Rmerge_I_obs 0.22 +_reflns_shell.pdbx_Rsym_value ? +_reflns_shell.meanI_over_sigI_obs ? +_reflns_shell.pdbx_redundancy ? +_reflns_shell.percent_possible_obs ? +_reflns_shell.number_unique_all ? +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.number_unique_obs ? +_reflns_shell.pdbx_chi_squared ? +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +# +_refine.entry_id 1BD2 +_refine.ls_number_reflns_obs 31731 +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 2.0 +_refine.pdbx_data_cutoff_high_absF 1000000 +_refine.pdbx_data_cutoff_low_absF 0.00001 +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low 8.0 +_refine.ls_d_res_high 2.5 +_refine.ls_percent_reflns_obs 90.6 +_refine.ls_R_factor_obs 0.238 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.238 +_refine.ls_R_factor_R_free 0.312 +_refine.ls_R_factor_R_free_error 0.008 +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free 5.2 +_refine.ls_number_reflns_R_free 1637 +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.B_iso_mean 41.1 +_refine.aniso_B[1][1] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[3][3] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][3] ? +_refine.solvent_model_details ? +_refine.solvent_model_param_ksol ? +_refine.solvent_model_param_bsol ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.details ? +_refine.pdbx_starting_model 'PDB ENTRIES 1HHI AND 1AO7' +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_isotropic_thermal_model RESTRAINED +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML ? +_refine.overall_SU_B ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.ls_redundancy_reflns_obs ? +_refine.pdbx_overall_phase_error ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_analyze.entry_id 1BD2 +_refine_analyze.Luzzati_coordinate_error_obs 0.37 +_refine_analyze.Luzzati_sigma_a_obs 0.50 +_refine_analyze.Luzzati_d_res_low_obs 5.0 +_refine_analyze.Luzzati_coordinate_error_free 0.48 +_refine_analyze.Luzzati_sigma_a_free 0.58 +_refine_analyze.Luzzati_d_res_low_free ? +_refine_analyze.number_disordered_residues ? +_refine_analyze.occupancy_sum_hydrogen ? +_refine_analyze.occupancy_sum_non_hydrogen ? +_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_analyze.pdbx_Luzzati_d_res_high_obs ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 6339 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 39 +_refine_hist.number_atoms_total 6378 +_refine_hist.d_res_high 2.5 +_refine_hist.d_res_low 8.0 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +x_bond_d 0.010 ? ? ? 'X-RAY DIFFRACTION' ? +x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_deg 1.63 ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_dihedral_angle_d 27.42 ? ? ? 'X-RAY DIFFRACTION' ? +x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_improper_angle_d 1.421 ? ? ? 'X-RAY DIFFRACTION' ? +x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? +x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? +x_mcbond_it 3.25 2.0 ? ? 'X-RAY DIFFRACTION' ? +x_mcangle_it 5.2 4.0 ? ? 'X-RAY DIFFRACTION' ? +x_scbond_it 4.92 2.0 ? ? 'X-RAY DIFFRACTION' ? +x_scangle_it 7.33 4.0 ? ? 'X-RAY DIFFRACTION' ? +# +_refine_ls_shell.pdbx_total_number_of_bins_used 8 +_refine_ls_shell.d_res_high 2.50 +_refine_ls_shell.d_res_low 2.61 +_refine_ls_shell.number_reflns_R_work 3450 +_refine_ls_shell.R_factor_R_work 0.38 +_refine_ls_shell.percent_reflns_obs 84.5 +_refine_ls_shell.R_factor_R_free 0.42 +_refine_ls_shell.R_factor_R_free_error 0.032 +_refine_ls_shell.percent_reflns_R_free 4.6 +_refine_ls_shell.number_reflns_R_free 168 +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_ls_shell.redundancy_reflns_obs ? +_refine_ls_shell.number_reflns_all ? +_refine_ls_shell.number_reflns_obs ? +_refine_ls_shell.R_factor_all ? +# +loop_ +_pdbx_xplor_file.serial_no +_pdbx_xplor_file.param_file +_pdbx_xplor_file.topol_file +_pdbx_xplor_file.pdbx_refine_id +1 PARHCSDX.PRO TOPH19.PEP 'X-RAY DIFFRACTION' +2 PARAM19.SOL TOPHCSDX.PRO 'X-RAY DIFFRACTION' +# +_database_PDB_matrix.entry_id 1BD2 +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_struct.entry_id 1BD2 +_struct.title +'COMPLEX BETWEEN HUMAN T-CELL RECEPTOR B7, VIRAL PEPTIDE (TAX) AND MHC CLASS I MOLECULE HLA-A 0201' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1BD2 +_struct_keywords.pdbx_keywords 'COMPLEX (MHC/VIRAL PEPTIDE/RECEPTOR)' +_struct_keywords.text 'COMPLEX (MHC-VIRAL PEPTIDE-RECEPTOR), COMPLEX (MHC-VIRAL PEPTIDE-RECEPTOR) complex' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +D N N 4 ? +E N N 5 ? +F N N 6 ? +G N N 6 ? +H N N 6 ? +I N N 6 ? +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.entity_id +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_align_begin +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_db_isoform +1 UNP 1A02_HUMAN 1 P01892 1 +;MAVMAPRTLVLLLSGALALTQTWAGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEG +PEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAA +DMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLT +WQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEPSSQPTIPIVGIIAGLVLFGA +VITGAVVAAVMWRRKSSDRKGGSYSQAASSDSAQGSDVSLTACKV +; +? +2 UNP B2MG_HUMAN 2 P61769 1 +;MSRSVALAVLALLSLSGLEAIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDW +SFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM +; +? +3 GB AAA60627 4 338766 1 +;MAMLLGASVLILWLQPDWVNSQQKNDDQQVKQNSPSLSVQEGRISILNCDYTNSMFDYFLWYKKYPAEGPTFLISISSIK +DKNEDGRFTVFLNKSAKHLSLHIVPSQPGDSAVYFCAAKGAGTASKLTFGTGTRLQVTLDIQNPDPAVYQLRDSKSSDKS +VCLFTDFDSQTNVSQSKDSDVYITDKTVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESSCDVKLVE +KSFETDTNLNFQNLSVIGFRILLLKVAGFNLLMTLRLWSS +; +? +4 GB AAC08953 5 3002925 1 +;MSIGLLCCAALSLLWAGPVNAGVTQTPKFQVLKTGQSMTLQCAQDMNHEYMSWYRQDPGMGLRLIHYSVGAGITDQGEVP +NGYNVSRSTTEDFPLRLLSAAPSQTSVYFCASSFPRQPSYNEQFFGPGTRLTVLEDLKNVFPPEVAVFEPSEAEISHTQK +ATLVCLATGFYPDHVELSWWVNGKEVHSGVSTDPQPLKEQPALNDSRYCLSSRLRVSATFWQNPRNHFRCQVQFYGLSEN +DEWTQDRAKPVTQIVSAEAWGRADCGFTSESYQQGVLSATILYEILLGKATLYAVLVSALVLMAMVKRKDSRG +; +? +5 PDB 1BD2 3 1BD2 ? ? ? +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 1BD2 A 1 ? 275 ? P01892 25 ? 299 ? 1 275 +2 2 1BD2 B 2 ? 100 ? P61769 21 ? 119 ? 1 99 +3 3 1BD2 D 1 ? 204 ? 338766 28 ? 233 ? 1 210 +4 4 1BD2 E 1 ? 244 ? 3002925 20 ? 264 ? 1 247 +5 5 1BD2 C 1 ? 9 ? 1BD2 1 ? 9 ? 1 9 +# +loop_ +_struct_ref_seq_dif.align_id +_struct_ref_seq_dif.pdbx_pdb_id_code +_struct_ref_seq_dif.mon_id +_struct_ref_seq_dif.pdbx_pdb_strand_id +_struct_ref_seq_dif.seq_num +_struct_ref_seq_dif.pdbx_pdb_ins_code +_struct_ref_seq_dif.pdbx_seq_db_name +_struct_ref_seq_dif.pdbx_seq_db_accession_code +_struct_ref_seq_dif.db_mon_id +_struct_ref_seq_dif.pdbx_seq_db_seq_num +_struct_ref_seq_dif.details +_struct_ref_seq_dif.pdbx_auth_seq_num +_struct_ref_seq_dif.pdbx_ordinal +3 1BD2 ALA D 57 ? GB 338766 GLU 84 conflict 56 1 +3 1BD2 ? D ? ? GB 338766 LYS 119 deletion ? 2 +3 1BD2 MET D 92 ? GB 338766 GLY 120 conflict 93 3 +3 1BD2 GLU D 93 ? GB 338766 ALA 121 conflict 94 4 +3 1BD2 ? D ? ? GB 338766 THR 123 deletion ? 5 +3 1BD2 GLN D 96 ? GB 338766 SER 125 conflict 102 6 +3 1BD2 VAL D 99 ? GB 338766 THR 128 conflict 105 7 +3 1BD2 GLN D 102 ? GB 338766 THR 131 conflict 108 8 +3 1BD2 THR D 107 ? GB 338766 GLN 136 conflict 113 9 +3 1BD2 ILE D 108 ? GB 338766 VAL 137 conflict 114 10 +3 1BD2 ASN D 109 ? GB 338766 THR 138 conflict 115 11 +3 1BD2 PRO D 110 ? GB 338766 LEU 139 conflict 116 12 +3 1BD2 ASN D 111 ? GB 338766 ASP 140 conflict 117 13 +4 1BD2 TYR E 95 ? GB 3002925 PHE 114 conflict 96 14 +4 1BD2 GLY E 97 ? GB 3002925 ARG 116 conflict 98 15 +4 1BD2 GLY E 98 ? GB 3002925 GLN 117 conflict 99 16 +4 1BD2 GLY E 99 ? GB 3002925 PRO 118 conflict 100 17 +4 1BD2 PHE E 100 ? GB 3002925 SER 119 conflict 101 18 +4 1BD2 ? E ? ? GB 3002925 ASN 121 deletion ? 19 +4 1BD2 TYR E 104 ? GB 3002925 PHE 124 conflict 107 20 +4 1BD2 THR E 114 ? GB 3002925 LEU 134 conflict 117 21 +4 1BD2 ALA E 189 ? GB 3002925 CYS 209 conflict 192 22 +4 1BD2 ASP E 203 ? GB 3002925 ASN 223 conflict 206 23 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_and_software_defined_assembly +_pdbx_struct_assembly.method_details PISA +_pdbx_struct_assembly.oligomeric_details pentameric +_pdbx_struct_assembly.oligomeric_count 5 +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 10000 ? +1 MORE -57 ? +1 'SSA (A^2)' 36170 ? +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +_struct_biol.id 1 +_struct_biol.details ? +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 PRO A 57 ? TYR A 85 ? PRO A 57 TYR A 85 1 ? 29 +HELX_P HELX_P2 2 MET A 138 ? ALA A 149 ? MET A 138 ALA A 149 1 ? 12 +HELX_P HELX_P3 3 VAL A 152 ? GLU A 161 ? VAL A 152 GLU A 161 1 ? 10 +HELX_P HELX_P4 4 THR A 163 ? ASN A 174 ? THR A 163 ASN A 174 1 ? 12 +HELX_P HELX_P5 5 LYS A 176 ? LEU A 179 ? LYS A 176 LEU A 179 1 ? 4 +HELX_P HELX_P6 6 THR A 225 ? ASP A 227 ? THR A 225 ASP A 227 5 ? 3 +HELX_P HELX_P7 7 GLN A 253 ? ARG A 256 ? GLN A 253 ARG A 256 5 ? 4 +HELX_P HELX_P8 8 PRO D 81 ? ASP D 83 ? PRO D 82 ASP D 84 5 ? 3 +HELX_P HELX_P9 9 CYS D 183 ? ALA D 186 ? CYS D 189 ALA D 192 1 ? 4 +HELX_P HELX_P10 10 PRO E 83 ? GLN E 85 ? PRO E 84 GLN E 86 5 ? 3 +HELX_P HELX_P11 11 PRO E 96 ? GLY E 98 ? PRO E 97 GLY E 99 5 ? 3 +HELX_P HELX_P12 12 LEU E 117 ? ASN E 119 ? LEU E 120 ASN E 122 5 ? 3 +HELX_P HELX_P13 13 GLU E 132 ? THR E 138 ? GLU E 135 THR E 141 1 ? 7 +HELX_P HELX_P14 14 ALA E 198 ? TRP E 201 ? ALA E 201 TRP E 204 1 ? 4 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +disulf1 disulf ? ? A CYS 101 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 101 A CYS 164 1_555 ? ? ? ? ? ? ? 2.046 ? ? +disulf2 disulf ? ? A CYS 203 SG ? ? ? 1_555 A CYS 259 SG ? ? A CYS 203 A CYS 259 1_555 ? ? ? ? ? ? ? 2.028 ? ? +disulf3 disulf ? ? B CYS 26 SG ? ? ? 1_555 B CYS 81 SG ? ? B CYS 25 B CYS 80 1_555 ? ? ? ? ? ? ? 2.035 ? ? +disulf4 disulf ? ? D CYS 22 SG ? ? ? 1_555 D CYS 89 SG ? ? D CYS 22 D CYS 90 1_555 ? ? ? ? ? ? ? 2.033 ? ? +disulf5 disulf ? ? D CYS 133 SG ? ? ? 1_555 D CYS 183 SG ? ? D CYS 139 D CYS 189 1_555 ? ? ? ? ? ? ? 2.031 ? ? +disulf6 disulf ? ? E CYS 23 SG ? ? ? 1_555 E CYS 91 SG ? ? E CYS 23 E CYS 92 1_555 ? ? ? ? ? ? ? 2.014 ? ? +disulf7 disulf ? ? E CYS 145 SG ? ? ? 1_555 E CYS 210 SG ? ? E CYS 148 E CYS 213 1_555 ? ? ? ? ? ? ? 2.017 ? ? +# +_struct_conn_type.id disulf +_struct_conn_type.criteria ? +_struct_conn_type.reference ? +# +loop_ +_pdbx_modification_feature.ordinal +_pdbx_modification_feature.label_comp_id +_pdbx_modification_feature.label_asym_id +_pdbx_modification_feature.label_seq_id +_pdbx_modification_feature.label_alt_id +_pdbx_modification_feature.modified_residue_label_comp_id +_pdbx_modification_feature.modified_residue_label_asym_id +_pdbx_modification_feature.modified_residue_label_seq_id +_pdbx_modification_feature.modified_residue_label_alt_id +_pdbx_modification_feature.auth_comp_id +_pdbx_modification_feature.auth_asym_id +_pdbx_modification_feature.auth_seq_id +_pdbx_modification_feature.PDB_ins_code +_pdbx_modification_feature.symmetry +_pdbx_modification_feature.modified_residue_auth_comp_id +_pdbx_modification_feature.modified_residue_auth_asym_id +_pdbx_modification_feature.modified_residue_auth_seq_id +_pdbx_modification_feature.modified_residue_PDB_ins_code +_pdbx_modification_feature.modified_residue_symmetry +_pdbx_modification_feature.comp_id_linking_atom +_pdbx_modification_feature.modified_residue_id_linking_atom +_pdbx_modification_feature.modified_residue_id +_pdbx_modification_feature.ref_pcm_id +_pdbx_modification_feature.ref_comp_id +_pdbx_modification_feature.type +_pdbx_modification_feature.category +1 CYS A 101 ? CYS A 164 ? CYS A 101 ? 1_555 CYS A 164 ? 1_555 SG SG . . . None 'Disulfide bridge' +2 CYS A 203 ? CYS A 259 ? CYS A 203 ? 1_555 CYS A 259 ? 1_555 SG SG . . . None 'Disulfide bridge' +3 CYS B 26 ? CYS B 81 ? CYS B 25 ? 1_555 CYS B 80 ? 1_555 SG SG . . . None 'Disulfide bridge' +4 CYS D 22 ? CYS D 89 ? CYS D 22 ? 1_555 CYS D 90 ? 1_555 SG SG . . . None 'Disulfide bridge' +5 CYS D 133 ? CYS D 183 ? CYS D 139 ? 1_555 CYS D 189 ? 1_555 SG SG . . . None 'Disulfide bridge' +6 CYS E 23 ? CYS E 91 ? CYS E 23 ? 1_555 CYS E 92 ? 1_555 SG SG . . . None 'Disulfide bridge' +7 CYS E 145 ? CYS E 210 ? CYS E 148 ? 1_555 CYS E 213 ? 1_555 SG SG . . . None 'Disulfide bridge' +# +loop_ +_struct_mon_prot_cis.pdbx_id +_struct_mon_prot_cis.label_comp_id +_struct_mon_prot_cis.label_seq_id +_struct_mon_prot_cis.label_asym_id +_struct_mon_prot_cis.label_alt_id +_struct_mon_prot_cis.pdbx_PDB_ins_code +_struct_mon_prot_cis.auth_comp_id +_struct_mon_prot_cis.auth_seq_id +_struct_mon_prot_cis.auth_asym_id +_struct_mon_prot_cis.pdbx_label_comp_id_2 +_struct_mon_prot_cis.pdbx_label_seq_id_2 +_struct_mon_prot_cis.pdbx_label_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 +_struct_mon_prot_cis.pdbx_auth_comp_id_2 +_struct_mon_prot_cis.pdbx_auth_seq_id_2 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_model_num +_struct_mon_prot_cis.pdbx_omega_angle +1 TYR 209 A . ? TYR 209 A PRO 210 A ? PRO 210 A 1 -2.04 +2 HIS 32 B . ? HIS 31 B PRO 33 B ? PRO 32 B 1 0.81 +3 VAL 77 D . ? VAL 78 D PRO 78 D ? PRO 79 D 1 0.05 +4 THR 7 E . ? THR 7 E PRO 8 E ? PRO 8 E 1 -0.17 +5 TYR 151 E . ? TYR 154 E PRO 152 E ? PRO 155 E 1 -1.59 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A ? 7 ? +B ? 4 ? +C ? 3 ? +D ? 3 ? +E ? 3 ? +F ? 5 ? +G ? 4 ? +H ? 2 ? +I ? 4 ? +J ? 2 ? +K ? 5 ? +L ? 3 ? +M ? 4 ? +N ? 4 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 ? anti-parallel +A 2 3 ? anti-parallel +A 3 4 ? anti-parallel +A 4 5 ? anti-parallel +A 5 6 ? anti-parallel +A 6 7 ? anti-parallel +B 1 2 ? anti-parallel +B 2 3 ? anti-parallel +B 3 4 ? anti-parallel +C 1 2 ? anti-parallel +C 2 3 ? anti-parallel +D 1 2 ? anti-parallel +D 2 3 ? anti-parallel +E 1 2 ? anti-parallel +E 2 3 ? anti-parallel +F 1 2 ? parallel +F 2 3 ? anti-parallel +F 3 4 ? anti-parallel +F 4 5 ? anti-parallel +G 1 2 ? anti-parallel +G 2 3 ? anti-parallel +G 3 4 ? anti-parallel +H 1 2 ? anti-parallel +I 1 2 ? anti-parallel +I 2 3 ? anti-parallel +I 3 4 ? anti-parallel +J 1 2 ? anti-parallel +K 1 2 ? parallel +K 2 3 ? anti-parallel +K 3 4 ? anti-parallel +K 4 5 ? anti-parallel +L 1 2 ? anti-parallel +L 2 3 ? anti-parallel +M 1 2 ? anti-parallel +M 2 3 ? anti-parallel +M 3 4 ? anti-parallel +N 1 2 ? anti-parallel +N 2 3 ? anti-parallel +N 3 4 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A 1 THR A 31 ? ASP A 37 ? THR A 31 ASP A 37 +A 2 ARG A 21 ? VAL A 28 ? ARG A 21 VAL A 28 +A 3 HIS A 3 ? VAL A 12 ? HIS A 3 VAL A 12 +A 4 THR A 94 ? VAL A 103 ? THR A 94 VAL A 103 +A 5 PHE A 109 ? TYR A 118 ? PHE A 109 TYR A 118 +A 6 LYS A 121 ? LEU A 126 ? LYS A 121 LEU A 126 +A 7 TRP A 133 ? ALA A 135 ? TRP A 133 ALA A 135 +B 1 LYS A 186 ? HIS A 192 ? LYS A 186 HIS A 192 +B 2 GLU A 198 ? LEU A 206 ? GLU A 198 LEU A 206 +B 3 LYS A 243 ? PRO A 250 ? LYS A 243 PRO A 250 +B 4 THR A 228 ? LEU A 230 ? THR A 228 LEU A 230 +C 1 THR A 214 ? ARG A 219 ? THR A 214 ARG A 219 +C 2 TYR A 257 ? GLN A 262 ? TYR A 257 GLN A 262 +C 3 LEU A 270 ? ARG A 273 ? LEU A 270 ARG A 273 +D 1 LYS B 7 ? SER B 12 ? LYS B 6 SER B 11 +D 2 SER B 21 ? SER B 29 ? SER B 20 SER B 28 +D 3 LEU B 65 ? THR B 72 ? LEU B 64 THR B 71 +E 1 GLU B 37 ? LYS B 42 ? GLU B 36 LYS B 41 +E 2 TYR B 79 ? ASN B 84 ? TYR B 78 ASN B 83 +E 3 LYS B 92 ? LYS B 95 ? LYS B 91 LYS B 94 +F 1 SER D 9 ? GLN D 13 ? SER D 9 GLN D 13 +F 2 THR D 104 ? ASN D 109 ? THR D 110 ASN D 115 +F 3 ALA D 85 ? MET D 92 ? ALA D 86 MET D 93 +F 4 TYR D 31 ? LYS D 37 ? TYR D 31 LYS D 37 +F 5 PRO D 43 ? SER D 50 ? PRO D 43 SER D 50 +G 1 SER D 18 ? ASP D 23 ? SER D 18 ASP D 23 +G 2 HIS D 71 ? ILE D 76 ? HIS D 72 ILE D 77 +G 3 PHE D 61 ? ASN D 66 ? PHE D 62 ASN D 67 +G 4 LYS D 55 A ASP D 58 ? LYS D 54 ASP D 57 +H 1 ALA D 90 ? MET D 92 ? ALA D 91 MET D 93 +H 2 LEU D 98 ? PHE D 100 ? LEU D 104 PHE D 106 +I 1 ALA D 118 ? LEU D 122 ? ALA D 124 LEU D 128 +I 2 VAL D 132 ? THR D 136 ? VAL D 138 THR D 142 +I 3 LYS D 168 ? TRP D 175 ? LYS D 174 TRP D 181 +I 4 THR D 158 ? ASP D 161 ? THR D 164 ASP D 167 +J 1 VAL E 4 ? THR E 7 ? VAL E 4 THR E 7 +J 2 GLN E 22 ? GLN E 25 ? GLN E 22 GLN E 25 +K 1 PHE E 10 ? LYS E 14 ? PHE E 10 LYS E 14 +K 2 THR E 109 ? THR E 114 ? THR E 112 THR E 117 +K 3 SER E 87 ? SER E 94 ? SER E 88 SER E 95 +K 4 TYR E 31 ? GLN E 37 ? TYR E 31 GLN E 37 +K 5 LEU E 43 ? SER E 49 ? LEU E 43 SER E 49 +L 1 MET E 19 ? LEU E 21 ? MET E 19 LEU E 21 +L 2 LEU E 76 ? LEU E 78 ? LEU E 77 LEU E 79 +L 3 TYR E 64 ? VAL E 66 ? TYR E 65 VAL E 67 +M 1 GLU E 124 ? PHE E 128 ? GLU E 127 PHE E 131 +M 2 LYS E 140 ? PHE E 150 ? LYS E 143 PHE E 153 +M 3 TYR E 188 ? SER E 197 ? TYR E 191 SER E 200 +M 4 VAL E 170 ? THR E 172 ? VAL E 173 THR E 175 +N 1 LYS E 164 ? VAL E 166 ? LYS E 167 VAL E 169 +N 2 VAL E 155 ? VAL E 161 ? VAL E 158 VAL E 164 +N 3 HIS E 207 ? PHE E 214 ? HIS E 210 PHE E 217 +N 4 GLN E 233 ? TRP E 240 ? GLN E 236 TRP E 243 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 O THR A 31 ? O THR A 31 N VAL A 28 ? N VAL A 28 +A 2 3 O ARG A 21 ? O ARG A 21 N VAL A 12 ? N VAL A 12 +A 3 4 O HIS A 3 ? O HIS A 3 N VAL A 103 ? N VAL A 103 +A 4 5 O GLN A 96 ? O GLN A 96 N ALA A 117 ? N ALA A 117 +A 5 6 O TYR A 116 ? O TYR A 116 N ILE A 124 ? N ILE A 124 +A 6 7 O ALA A 125 ? O ALA A 125 N THR A 134 ? N THR A 134 +B 1 2 O LYS A 186 ? O LYS A 186 N LEU A 206 ? N LEU A 206 +B 2 3 O ALA A 199 ? O ALA A 199 N VAL A 249 ? N VAL A 249 +B 3 4 O ALA A 246 ? O ALA A 246 N GLU A 229 ? N GLU A 229 +C 1 2 O THR A 214 ? O THR A 214 N GLN A 262 ? N GLN A 262 +C 2 3 O CYS A 259 ? O CYS A 259 N LEU A 272 ? N LEU A 272 +D 1 2 O LYS B 7 ? O LYS B 6 N SER B 29 ? N SER B 28 +D 2 3 O ASN B 22 ? O ASN B 21 N PHE B 71 ? N PHE B 70 +E 1 2 O GLU B 37 ? O GLU B 36 N ASN B 84 ? N ASN B 83 +E 2 3 O CYS B 81 ? O CYS B 80 N VAL B 94 ? N VAL B 93 +F 1 2 O LEU D 10 ? O LEU D 10 N ARG D 105 ? N ARG D 111 +F 2 3 O THR D 104 ? O THR D 110 N TYR D 87 ? N TYR D 88 +F 3 4 O VAL D 86 ? O VAL D 87 N LYS D 37 ? N LYS D 37 +F 4 5 O PHE D 32 ? O PHE D 32 N ILE D 49 ? N ILE D 49 +G 1 2 O SER D 18 ? O SER D 18 N ILE D 76 ? N ILE D 77 +G 2 3 O HIS D 71 ? O HIS D 72 N ASN D 66 ? N ASN D 67 +G 3 4 O PHE D 61 ? O PHE D 62 N ASP D 58 ? N ASP D 57 +H 1 2 O ALA D 91 ? O ALA D 92 N VAL D 99 ? N VAL D 105 +I 1 2 O ALA D 118 ? O ALA D 124 N THR D 136 ? N THR D 142 +I 2 3 O CYS D 133 ? O CYS D 139 N ALA D 174 ? N ALA D 180 +I 3 4 O SER D 169 ? O SER D 175 N LEU D 160 ? N LEU D 166 +J 1 2 O THR E 5 ? O THR E 5 N ALA E 24 ? N ALA E 24 +K 1 2 O GLN E 11 ? O GLN E 11 N ARG E 110 ? N ARG E 113 +K 2 3 O THR E 109 ? O THR E 112 N TYR E 89 ? N TYR E 90 +K 3 4 O VAL E 88 ? O VAL E 89 N GLN E 37 ? N GLN E 37 +K 4 5 O MET E 32 ? O MET E 32 N SER E 49 ? N SER E 49 +L 1 2 O MET E 19 ? O MET E 19 N LEU E 78 ? N LEU E 79 +L 2 3 O ARG E 77 ? O ARG E 78 N ASN E 65 ? N ASN E 66 +M 1 2 O GLU E 124 ? O GLU E 127 N THR E 148 ? N THR E 151 +M 2 3 O ALA E 141 ? O ALA E 144 N VAL E 196 ? N VAL E 199 +M 3 4 O ARG E 193 ? O ARG E 196 N SER E 171 ? N SER E 174 +N 1 2 O LYS E 164 ? O LYS E 167 N VAL E 161 ? N VAL E 164 +N 2 3 O GLU E 156 ? O GLU E 159 N GLN E 213 ? N GLN E 216 +N 3 4 O PHE E 208 ? O PHE E 211 N ALA E 239 ? N ALA E 242 +# +_pdbx_entry_details.entry_id 1BD2 +_pdbx_entry_details.compound_details ? +_pdbx_entry_details.source_details ? +_pdbx_entry_details.nonpolymer_details ? +_pdbx_entry_details.sequence_details ? +_pdbx_entry_details.has_ligand_of_interest ? +_pdbx_entry_details.has_protein_modification Y +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 ASP A 29 ? ? 60.62 -133.58 +2 1 LEU A 110 ? ? -138.16 -60.09 +3 1 HIS A 114 ? ? -174.93 109.91 +4 1 TYR A 123 ? ? -124.75 -57.75 +5 1 ALA A 136 ? ? -62.13 -78.74 +6 1 ASP A 137 ? ? -102.60 -156.73 +7 1 LYS A 176 ? ? -27.15 -66.88 +8 1 ASP A 196 ? ? -91.44 34.08 +9 1 HIS A 197 ? ? -156.47 -19.50 +10 1 PRO A 210 ? ? -63.69 -169.36 +11 1 ASP A 220 ? ? 59.21 6.83 +12 1 THR A 225 ? ? -26.86 -66.32 +13 1 ALA B 15 ? ? -55.02 100.08 +14 1 HIS B 31 ? ? -170.85 129.52 +15 1 GLU B 47 ? ? -58.85 -75.68 +16 1 PHE B 70 ? ? -174.61 145.29 +17 1 ARG B 97 ? ? -59.46 -1.08 +18 1 SER D 7 ? ? 60.31 88.41 +19 1 THR D 25 ? ? -106.26 -74.57 +20 1 ILE D 47 ? ? 176.96 151.05 +21 1 ARG D 61 ? ? 89.98 -25.40 +22 1 ASN D 67 ? ? -154.23 75.28 +23 1 ALA D 86 ? ? 177.01 172.91 +24 1 GLU D 94 ? ? -118.76 72.29 +25 1 ASP D 122 ? ? -162.84 89.48 +26 1 ALA D 124 ? ? -179.09 147.84 +27 1 SER D 146 ? ? -64.87 8.61 +28 1 VAL D 150 ? ? 73.67 102.73 +29 1 ASN D 183 ? ? -92.00 59.15 +30 1 SER D 185 ? ? -67.82 -71.52 +31 1 ALA D 192 ? ? -4.47 -77.99 +32 1 ASN D 195 ? ? 136.76 119.35 +33 1 SER D 196 ? ? 47.56 91.14 +34 1 PRO D 199 ? ? 64.56 165.82 +35 1 GLU D 200 ? ? 45.48 74.11 +36 1 THR D 202 ? ? -49.34 172.32 +37 1 ILE E 46 ? ? -100.80 -60.15 +38 1 VAL E 60 ? ? -113.92 72.23 +39 1 ARG E 69 ? ? -152.07 79.18 +40 1 SER E 81 ? ? -161.15 100.91 +41 1 ASP E 156 ? ? -67.38 16.34 +42 1 GLN E 183 ? ? -159.45 72.71 +43 1 PRO E 233 ? ? -72.70 49.12 +44 1 ALA E 246 ? ? -179.19 73.21 +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 1 Y 1 B MET 0 ? B MET 1 +2 1 Y 1 D SER 133 ? D SER 127 +3 1 Y 1 D SER 134 ? D SER 128 +4 1 Y 1 D ASP 135 ? D ASP 129 +5 1 Y 1 D LYS 136 ? D LYS 130 +6 1 Y 1 D SER 170 ? D SER 164 +7 1 Y 1 D MET 171 ? D MET 165 +8 1 Y 1 D ASP 172 ? D ASP 166 +9 1 Y 1 D PHE 204 ? D PHE 198 +10 1 Y 1 D PRO 205 ? D PRO 199 +11 1 Y 1 D SER 206 ? D SER 200 +12 1 Y 1 D PRO 207 ? D PRO 201 +13 1 Y 1 D GLU 208 ? D GLU 202 +14 1 Y 1 D SER 209 ? D SER 203 +15 1 Y 1 D SER 210 ? D SER 204 +16 1 Y 1 E ASN 1 ? E ASN 1 +17 1 Y 1 E ALA 2 ? E ALA 2 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ALA N N N N 1 +ALA CA C N S 2 +ALA C C N N 3 +ALA O O N N 4 +ALA CB C N N 5 +ALA OXT O N N 6 +ALA H H N N 7 +ALA H2 H N N 8 +ALA HA H N N 9 +ALA HB1 H N N 10 +ALA HB2 H N N 11 +ALA HB3 H N N 12 +ALA HXT H N N 13 +ARG N N N N 14 +ARG CA C N S 15 +ARG C C N N 16 +ARG O O N N 17 +ARG CB C N N 18 +ARG CG C N N 19 +ARG CD C N N 20 +ARG NE N N N 21 +ARG CZ C N N 22 +ARG NH1 N N N 23 +ARG NH2 N N N 24 +ARG OXT O N N 25 +ARG H H N N 26 +ARG H2 H N N 27 +ARG HA H N N 28 +ARG HB2 H N N 29 +ARG HB3 H N N 30 +ARG HG2 H N N 31 +ARG HG3 H N N 32 +ARG HD2 H N N 33 +ARG HD3 H N N 34 +ARG HE H N N 35 +ARG HH11 H N N 36 +ARG HH12 H N N 37 +ARG HH21 H N N 38 +ARG HH22 H N N 39 +ARG HXT H N N 40 +ASN N N N N 41 +ASN CA C N S 42 +ASN C C N N 43 +ASN O O N N 44 +ASN CB C N N 45 +ASN CG C N N 46 +ASN OD1 O N N 47 +ASN ND2 N N N 48 +ASN OXT O N N 49 +ASN H H N N 50 +ASN H2 H N N 51 +ASN HA H N N 52 +ASN HB2 H N N 53 +ASN HB3 H N N 54 +ASN HD21 H N N 55 +ASN HD22 H N N 56 +ASN HXT H N N 57 +ASP N N N N 58 +ASP CA C N S 59 +ASP C C N N 60 +ASP O O N N 61 +ASP CB C N N 62 +ASP CG C N N 63 +ASP OD1 O N N 64 +ASP OD2 O N N 65 +ASP OXT O N N 66 +ASP H H N N 67 +ASP H2 H N N 68 +ASP HA H N N 69 +ASP HB2 H N N 70 +ASP HB3 H N N 71 +ASP HD2 H N N 72 +ASP HXT H N N 73 +CYS N N N N 74 +CYS CA C N R 75 +CYS C C N N 76 +CYS O O N N 77 +CYS CB C N N 78 +CYS SG S N N 79 +CYS OXT O N N 80 +CYS H H N N 81 +CYS H2 H N N 82 +CYS HA H N N 83 +CYS HB2 H N N 84 +CYS HB3 H N N 85 +CYS HG H N N 86 +CYS HXT H N N 87 +GLN N N N N 88 +GLN CA C N S 89 +GLN C C N N 90 +GLN O O N N 91 +GLN CB C N N 92 +GLN CG C N N 93 +GLN CD C N N 94 +GLN OE1 O N N 95 +GLN NE2 N N N 96 +GLN OXT O N N 97 +GLN H H N N 98 +GLN H2 H N N 99 +GLN HA H N N 100 +GLN HB2 H N N 101 +GLN HB3 H N N 102 +GLN HG2 H N N 103 +GLN HG3 H N N 104 +GLN HE21 H N N 105 +GLN HE22 H N N 106 +GLN HXT H N N 107 +GLU N N N N 108 +GLU CA C N S 109 +GLU C C N N 110 +GLU O O N N 111 +GLU CB C N N 112 +GLU CG C N N 113 +GLU CD C N N 114 +GLU OE1 O N N 115 +GLU OE2 O N N 116 +GLU OXT O N N 117 +GLU H H N N 118 +GLU H2 H N N 119 +GLU HA H N N 120 +GLU HB2 H N N 121 +GLU HB3 H N N 122 +GLU HG2 H N N 123 +GLU HG3 H N N 124 +GLU HE2 H N N 125 +GLU HXT H N N 126 +GLY N N N N 127 +GLY CA C N N 128 +GLY C C N N 129 +GLY O O N N 130 +GLY OXT O N N 131 +GLY H H N N 132 +GLY H2 H N N 133 +GLY HA2 H N N 134 +GLY HA3 H N N 135 +GLY HXT H N N 136 +HIS N N N N 137 +HIS CA C N S 138 +HIS C C N N 139 +HIS O O N N 140 +HIS CB C N N 141 +HIS CG C Y N 142 +HIS ND1 N Y N 143 +HIS CD2 C Y N 144 +HIS CE1 C Y N 145 +HIS NE2 N Y N 146 +HIS OXT O N N 147 +HIS H H N N 148 +HIS H2 H N N 149 +HIS HA H N N 150 +HIS HB2 H N N 151 +HIS HB3 H N N 152 +HIS HD1 H N N 153 +HIS HD2 H N N 154 +HIS HE1 H N N 155 +HIS HE2 H N N 156 +HIS HXT H N N 157 +HOH O O N N 158 +HOH H1 H N N 159 +HOH H2 H N N 160 +ILE N N N N 161 +ILE CA C N S 162 +ILE C C N N 163 +ILE O O N N 164 +ILE CB C N S 165 +ILE CG1 C N N 166 +ILE CG2 C N N 167 +ILE CD1 C N N 168 +ILE OXT O N N 169 +ILE H H N N 170 +ILE H2 H N N 171 +ILE HA H N N 172 +ILE HB H N N 173 +ILE HG12 H N N 174 +ILE HG13 H N N 175 +ILE HG21 H N N 176 +ILE HG22 H N N 177 +ILE HG23 H N N 178 +ILE HD11 H N N 179 +ILE HD12 H N N 180 +ILE HD13 H N N 181 +ILE HXT H N N 182 +LEU N N N N 183 +LEU CA C N S 184 +LEU C C N N 185 +LEU O O N N 186 +LEU CB C N N 187 +LEU CG C N N 188 +LEU CD1 C N N 189 +LEU CD2 C N N 190 +LEU OXT O N N 191 +LEU H H N N 192 +LEU H2 H N N 193 +LEU HA H N N 194 +LEU HB2 H N N 195 +LEU HB3 H N N 196 +LEU HG H N N 197 +LEU HD11 H N N 198 +LEU HD12 H N N 199 +LEU HD13 H N N 200 +LEU HD21 H N N 201 +LEU HD22 H N N 202 +LEU HD23 H N N 203 +LEU HXT H N N 204 +LYS N N N N 205 +LYS CA C N S 206 +LYS C C N N 207 +LYS O O N N 208 +LYS CB C N N 209 +LYS CG C N N 210 +LYS CD C N N 211 +LYS CE C N N 212 +LYS NZ N N N 213 +LYS OXT O N N 214 +LYS H H N N 215 +LYS H2 H N N 216 +LYS HA H N N 217 +LYS HB2 H N N 218 +LYS HB3 H N N 219 +LYS HG2 H N N 220 +LYS HG3 H N N 221 +LYS HD2 H N N 222 +LYS HD3 H N N 223 +LYS HE2 H N N 224 +LYS HE3 H N N 225 +LYS HZ1 H N N 226 +LYS HZ2 H N N 227 +LYS HZ3 H N N 228 +LYS HXT H N N 229 +MET N N N N 230 +MET CA C N S 231 +MET C C N N 232 +MET O O N N 233 +MET CB C N N 234 +MET CG C N N 235 +MET SD S N N 236 +MET CE C N N 237 +MET OXT O N N 238 +MET H H N N 239 +MET H2 H N N 240 +MET HA H N N 241 +MET HB2 H N N 242 +MET HB3 H N N 243 +MET HG2 H N N 244 +MET HG3 H N N 245 +MET HE1 H N N 246 +MET HE2 H N N 247 +MET HE3 H N N 248 +MET HXT H N N 249 +PHE N N N N 250 +PHE CA C N S 251 +PHE C C N N 252 +PHE O O N N 253 +PHE CB C N N 254 +PHE CG C Y N 255 +PHE CD1 C Y N 256 +PHE CD2 C Y N 257 +PHE CE1 C Y N 258 +PHE CE2 C Y N 259 +PHE CZ C Y N 260 +PHE OXT O N N 261 +PHE H H N N 262 +PHE H2 H N N 263 +PHE HA H N N 264 +PHE HB2 H N N 265 +PHE HB3 H N N 266 +PHE HD1 H N N 267 +PHE HD2 H N N 268 +PHE HE1 H N N 269 +PHE HE2 H N N 270 +PHE HZ H N N 271 +PHE HXT H N N 272 +PRO N N N N 273 +PRO CA C N S 274 +PRO C C N N 275 +PRO O O N N 276 +PRO CB C N N 277 +PRO CG C N N 278 +PRO CD C N N 279 +PRO OXT O N N 280 +PRO H H N N 281 +PRO HA H N N 282 +PRO HB2 H N N 283 +PRO HB3 H N N 284 +PRO HG2 H N N 285 +PRO HG3 H N N 286 +PRO HD2 H N N 287 +PRO HD3 H N N 288 +PRO HXT H N N 289 +SER N N N N 290 +SER CA C N S 291 +SER C C N N 292 +SER O O N N 293 +SER CB C N N 294 +SER OG O N N 295 +SER OXT O N N 296 +SER H H N N 297 +SER H2 H N N 298 +SER HA H N N 299 +SER HB2 H N N 300 +SER HB3 H N N 301 +SER HG H N N 302 +SER HXT H N N 303 +THR N N N N 304 +THR CA C N S 305 +THR C C N N 306 +THR O O N N 307 +THR CB C N R 308 +THR OG1 O N N 309 +THR CG2 C N N 310 +THR OXT O N N 311 +THR H H N N 312 +THR H2 H N N 313 +THR HA H N N 314 +THR HB H N N 315 +THR HG1 H N N 316 +THR HG21 H N N 317 +THR HG22 H N N 318 +THR HG23 H N N 319 +THR HXT H N N 320 +TRP N N N N 321 +TRP CA C N S 322 +TRP C C N N 323 +TRP O O N N 324 +TRP CB C N N 325 +TRP CG C Y N 326 +TRP CD1 C Y N 327 +TRP CD2 C Y N 328 +TRP NE1 N Y N 329 +TRP CE2 C Y N 330 +TRP CE3 C Y N 331 +TRP CZ2 C Y N 332 +TRP CZ3 C Y N 333 +TRP CH2 C Y N 334 +TRP OXT O N N 335 +TRP H H N N 336 +TRP H2 H N N 337 +TRP HA H N N 338 +TRP HB2 H N N 339 +TRP HB3 H N N 340 +TRP HD1 H N N 341 +TRP HE1 H N N 342 +TRP HE3 H N N 343 +TRP HZ2 H N N 344 +TRP HZ3 H N N 345 +TRP HH2 H N N 346 +TRP HXT H N N 347 +TYR N N N N 348 +TYR CA C N S 349 +TYR C C N N 350 +TYR O O N N 351 +TYR CB C N N 352 +TYR CG C Y N 353 +TYR CD1 C Y N 354 +TYR CD2 C Y N 355 +TYR CE1 C Y N 356 +TYR CE2 C Y N 357 +TYR CZ C Y N 358 +TYR OH O N N 359 +TYR OXT O N N 360 +TYR H H N N 361 +TYR H2 H N N 362 +TYR HA H N N 363 +TYR HB2 H N N 364 +TYR HB3 H N N 365 +TYR HD1 H N N 366 +TYR HD2 H N N 367 +TYR HE1 H N N 368 +TYR HE2 H N N 369 +TYR HH H N N 370 +TYR HXT H N N 371 +VAL N N N N 372 +VAL CA C N S 373 +VAL C C N N 374 +VAL O O N N 375 +VAL CB C N N 376 +VAL CG1 C N N 377 +VAL CG2 C N N 378 +VAL OXT O N N 379 +VAL H H N N 380 +VAL H2 H N N 381 +VAL HA H N N 382 +VAL HB H N N 383 +VAL HG11 H N N 384 +VAL HG12 H N N 385 +VAL HG13 H N N 386 +VAL HG21 H N N 387 +VAL HG22 H N N 388 +VAL HG23 H N N 389 +VAL HXT H N N 390 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ALA N CA sing N N 1 +ALA N H sing N N 2 +ALA N H2 sing N N 3 +ALA CA C sing N N 4 +ALA CA CB sing N N 5 +ALA CA HA sing N N 6 +ALA C O doub N N 7 +ALA C OXT sing N N 8 +ALA CB HB1 sing N N 9 +ALA CB HB2 sing N N 10 +ALA CB HB3 sing N N 11 +ALA OXT HXT sing N N 12 +ARG N CA sing N N 13 +ARG N H sing N N 14 +ARG N H2 sing N N 15 +ARG CA C sing N N 16 +ARG CA CB sing N N 17 +ARG CA HA sing N N 18 +ARG C O doub N N 19 +ARG C OXT sing N N 20 +ARG CB CG sing N N 21 +ARG CB HB2 sing N N 22 +ARG CB HB3 sing N N 23 +ARG CG CD sing N N 24 +ARG CG HG2 sing N N 25 +ARG CG HG3 sing N N 26 +ARG CD NE sing N N 27 +ARG CD HD2 sing N N 28 +ARG CD HD3 sing N N 29 +ARG NE CZ sing N N 30 +ARG NE HE sing N N 31 +ARG CZ NH1 sing N N 32 +ARG CZ NH2 doub N N 33 +ARG NH1 HH11 sing N N 34 +ARG NH1 HH12 sing N N 35 +ARG NH2 HH21 sing N N 36 +ARG NH2 HH22 sing N N 37 +ARG OXT HXT sing N N 38 +ASN N CA sing N N 39 +ASN N H sing N N 40 +ASN N H2 sing N N 41 +ASN CA C sing N N 42 +ASN CA CB sing N N 43 +ASN CA HA sing N N 44 +ASN C O doub N N 45 +ASN C OXT sing N N 46 +ASN CB CG sing N N 47 +ASN CB HB2 sing N N 48 +ASN CB HB3 sing N N 49 +ASN CG OD1 doub N N 50 +ASN CG ND2 sing N N 51 +ASN ND2 HD21 sing N N 52 +ASN ND2 HD22 sing N N 53 +ASN OXT HXT sing N N 54 +ASP N CA sing N N 55 +ASP N H sing N N 56 +ASP N H2 sing N N 57 +ASP CA C sing N N 58 +ASP CA CB sing N N 59 +ASP CA HA sing N N 60 +ASP C O doub N N 61 +ASP C OXT sing N N 62 +ASP CB CG sing N N 63 +ASP CB HB2 sing N N 64 +ASP CB HB3 sing N N 65 +ASP CG OD1 doub N N 66 +ASP CG OD2 sing N N 67 +ASP OD2 HD2 sing N N 68 +ASP OXT HXT sing N N 69 +CYS N CA sing N N 70 +CYS N H sing N N 71 +CYS N H2 sing N N 72 +CYS CA C sing N N 73 +CYS CA CB sing N N 74 +CYS CA HA sing N N 75 +CYS C O doub N N 76 +CYS C OXT sing N N 77 +CYS CB SG sing N N 78 +CYS CB HB2 sing N N 79 +CYS CB HB3 sing N N 80 +CYS SG HG sing N N 81 +CYS OXT HXT sing N N 82 +GLN N CA sing N N 83 +GLN N H sing N N 84 +GLN N H2 sing N N 85 +GLN CA C sing N N 86 +GLN CA CB sing N N 87 +GLN CA HA sing N N 88 +GLN C O doub N N 89 +GLN C OXT sing N N 90 +GLN CB CG sing N N 91 +GLN CB HB2 sing N N 92 +GLN CB HB3 sing N N 93 +GLN CG CD sing N N 94 +GLN CG HG2 sing N N 95 +GLN CG HG3 sing N N 96 +GLN CD OE1 doub N N 97 +GLN CD NE2 sing N N 98 +GLN NE2 HE21 sing N N 99 +GLN NE2 HE22 sing N N 100 +GLN OXT HXT sing N N 101 +GLU N CA sing N N 102 +GLU N H sing N N 103 +GLU N H2 sing N N 104 +GLU CA C sing N N 105 +GLU CA CB sing N N 106 +GLU CA HA sing N N 107 +GLU C O doub N N 108 +GLU C OXT sing N N 109 +GLU CB CG sing N N 110 +GLU CB HB2 sing N N 111 +GLU CB HB3 sing N N 112 +GLU CG CD sing N N 113 +GLU CG HG2 sing N N 114 +GLU CG HG3 sing N N 115 +GLU CD OE1 doub N N 116 +GLU CD OE2 sing N N 117 +GLU OE2 HE2 sing N N 118 +GLU OXT HXT sing N N 119 +GLY N CA sing N N 120 +GLY N H sing N N 121 +GLY N H2 sing N N 122 +GLY CA C sing N N 123 +GLY CA HA2 sing N N 124 +GLY CA HA3 sing N N 125 +GLY C O doub N N 126 +GLY C OXT sing N N 127 +GLY OXT HXT sing N N 128 +HIS N CA sing N N 129 +HIS N H sing N N 130 +HIS N H2 sing N N 131 +HIS CA C sing N N 132 +HIS CA CB sing N N 133 +HIS CA HA sing N N 134 +HIS C O doub N N 135 +HIS C OXT sing N N 136 +HIS CB CG sing N N 137 +HIS CB HB2 sing N N 138 +HIS CB HB3 sing N N 139 +HIS CG ND1 sing Y N 140 +HIS CG CD2 doub Y N 141 +HIS ND1 CE1 doub Y N 142 +HIS ND1 HD1 sing N N 143 +HIS CD2 NE2 sing Y N 144 +HIS CD2 HD2 sing N N 145 +HIS CE1 NE2 sing Y N 146 +HIS CE1 HE1 sing N N 147 +HIS NE2 HE2 sing N N 148 +HIS OXT HXT sing N N 149 +HOH O H1 sing N N 150 +HOH O H2 sing N N 151 +ILE N CA sing N N 152 +ILE N H sing N N 153 +ILE N H2 sing N N 154 +ILE CA C sing N N 155 +ILE CA CB sing N N 156 +ILE CA HA sing N N 157 +ILE C O doub N N 158 +ILE C OXT sing N N 159 +ILE CB CG1 sing N N 160 +ILE CB CG2 sing N N 161 +ILE CB HB sing N N 162 +ILE CG1 CD1 sing N N 163 +ILE CG1 HG12 sing N N 164 +ILE CG1 HG13 sing N N 165 +ILE CG2 HG21 sing N N 166 +ILE CG2 HG22 sing N N 167 +ILE CG2 HG23 sing N N 168 +ILE CD1 HD11 sing N N 169 +ILE CD1 HD12 sing N N 170 +ILE CD1 HD13 sing N N 171 +ILE OXT HXT sing N N 172 +LEU N CA sing N N 173 +LEU N H sing N N 174 +LEU N H2 sing N N 175 +LEU CA C sing N N 176 +LEU CA CB sing N N 177 +LEU CA HA sing N N 178 +LEU C O doub N N 179 +LEU C OXT sing N N 180 +LEU CB CG sing N N 181 +LEU CB HB2 sing N N 182 +LEU CB HB3 sing N N 183 +LEU CG CD1 sing N N 184 +LEU CG CD2 sing N N 185 +LEU CG HG sing N N 186 +LEU CD1 HD11 sing N N 187 +LEU CD1 HD12 sing N N 188 +LEU CD1 HD13 sing N N 189 +LEU CD2 HD21 sing N N 190 +LEU CD2 HD22 sing N N 191 +LEU CD2 HD23 sing N N 192 +LEU OXT HXT sing N N 193 +LYS N CA sing N N 194 +LYS N H sing N N 195 +LYS N H2 sing N N 196 +LYS CA C sing N N 197 +LYS CA CB sing N N 198 +LYS CA HA sing N N 199 +LYS C O doub N N 200 +LYS C OXT sing N N 201 +LYS CB CG sing N N 202 +LYS CB HB2 sing N N 203 +LYS CB HB3 sing N N 204 +LYS CG CD sing N N 205 +LYS CG HG2 sing N N 206 +LYS CG HG3 sing N N 207 +LYS CD CE sing N N 208 +LYS CD HD2 sing N N 209 +LYS CD HD3 sing N N 210 +LYS CE NZ sing N N 211 +LYS CE HE2 sing N N 212 +LYS CE HE3 sing N N 213 +LYS NZ HZ1 sing N N 214 +LYS NZ HZ2 sing N N 215 +LYS NZ HZ3 sing N N 216 +LYS OXT HXT sing N N 217 +MET N CA sing N N 218 +MET N H sing N N 219 +MET N H2 sing N N 220 +MET CA C sing N N 221 +MET CA CB sing N N 222 +MET CA HA sing N N 223 +MET C O doub N N 224 +MET C OXT sing N N 225 +MET CB CG sing N N 226 +MET CB HB2 sing N N 227 +MET CB HB3 sing N N 228 +MET CG SD sing N N 229 +MET CG HG2 sing N N 230 +MET CG HG3 sing N N 231 +MET SD CE sing N N 232 +MET CE HE1 sing N N 233 +MET CE HE2 sing N N 234 +MET CE HE3 sing N N 235 +MET OXT HXT sing N N 236 +PHE N CA sing N N 237 +PHE N H sing N N 238 +PHE N H2 sing N N 239 +PHE CA C sing N N 240 +PHE CA CB sing N N 241 +PHE CA HA sing N N 242 +PHE C O doub N N 243 +PHE C OXT sing N N 244 +PHE CB CG sing N N 245 +PHE CB HB2 sing N N 246 +PHE CB HB3 sing N N 247 +PHE CG CD1 doub Y N 248 +PHE CG CD2 sing Y N 249 +PHE CD1 CE1 sing Y N 250 +PHE CD1 HD1 sing N N 251 +PHE CD2 CE2 doub Y N 252 +PHE CD2 HD2 sing N N 253 +PHE CE1 CZ doub Y N 254 +PHE CE1 HE1 sing N N 255 +PHE CE2 CZ sing Y N 256 +PHE CE2 HE2 sing N N 257 +PHE CZ HZ sing N N 258 +PHE OXT HXT sing N N 259 +PRO N CA sing N N 260 +PRO N CD sing N N 261 +PRO N H sing N N 262 +PRO CA C sing N N 263 +PRO CA CB sing N N 264 +PRO CA HA sing N N 265 +PRO C O doub N N 266 +PRO C OXT sing N N 267 +PRO CB CG sing N N 268 +PRO CB HB2 sing N N 269 +PRO CB HB3 sing N N 270 +PRO CG CD sing N N 271 +PRO CG HG2 sing N N 272 +PRO CG HG3 sing N N 273 +PRO CD HD2 sing N N 274 +PRO CD HD3 sing N N 275 +PRO OXT HXT sing N N 276 +SER N CA sing N N 277 +SER N H sing N N 278 +SER N H2 sing N N 279 +SER CA C sing N N 280 +SER CA CB sing N N 281 +SER CA HA sing N N 282 +SER C O doub N N 283 +SER C OXT sing N N 284 +SER CB OG sing N N 285 +SER CB HB2 sing N N 286 +SER CB HB3 sing N N 287 +SER OG HG sing N N 288 +SER OXT HXT sing N N 289 +THR N CA sing N N 290 +THR N H sing N N 291 +THR N H2 sing N N 292 +THR CA C sing N N 293 +THR CA CB sing N N 294 +THR CA HA sing N N 295 +THR C O doub N N 296 +THR C OXT sing N N 297 +THR CB OG1 sing N N 298 +THR CB CG2 sing N N 299 +THR CB HB sing N N 300 +THR OG1 HG1 sing N N 301 +THR CG2 HG21 sing N N 302 +THR CG2 HG22 sing N N 303 +THR CG2 HG23 sing N N 304 +THR OXT HXT sing N N 305 +TRP N CA sing N N 306 +TRP N H sing N N 307 +TRP N H2 sing N N 308 +TRP CA C sing N N 309 +TRP CA CB sing N N 310 +TRP CA HA sing N N 311 +TRP C O doub N N 312 +TRP C OXT sing N N 313 +TRP CB CG sing N N 314 +TRP CB HB2 sing N N 315 +TRP CB HB3 sing N N 316 +TRP CG CD1 doub Y N 317 +TRP CG CD2 sing Y N 318 +TRP CD1 NE1 sing Y N 319 +TRP CD1 HD1 sing N N 320 +TRP CD2 CE2 doub Y N 321 +TRP CD2 CE3 sing Y N 322 +TRP NE1 CE2 sing Y N 323 +TRP NE1 HE1 sing N N 324 +TRP CE2 CZ2 sing Y N 325 +TRP CE3 CZ3 doub Y N 326 +TRP CE3 HE3 sing N N 327 +TRP CZ2 CH2 doub Y N 328 +TRP CZ2 HZ2 sing N N 329 +TRP CZ3 CH2 sing Y N 330 +TRP CZ3 HZ3 sing N N 331 +TRP CH2 HH2 sing N N 332 +TRP OXT HXT sing N N 333 +TYR N CA sing N N 334 +TYR N H sing N N 335 +TYR N H2 sing N N 336 +TYR CA C sing N N 337 +TYR CA CB sing N N 338 +TYR CA HA sing N N 339 +TYR C O doub N N 340 +TYR C OXT sing N N 341 +TYR CB CG sing N N 342 +TYR CB HB2 sing N N 343 +TYR CB HB3 sing N N 344 +TYR CG CD1 doub Y N 345 +TYR CG CD2 sing Y N 346 +TYR CD1 CE1 sing Y N 347 +TYR CD1 HD1 sing N N 348 +TYR CD2 CE2 doub Y N 349 +TYR CD2 HD2 sing N N 350 +TYR CE1 CZ doub Y N 351 +TYR CE1 HE1 sing N N 352 +TYR CE2 CZ sing Y N 353 +TYR CE2 HE2 sing N N 354 +TYR CZ OH sing N N 355 +TYR OH HH sing N N 356 +TYR OXT HXT sing N N 357 +VAL N CA sing N N 358 +VAL N H sing N N 359 +VAL N H2 sing N N 360 +VAL CA C sing N N 361 +VAL CA CB sing N N 362 +VAL CA HA sing N N 363 +VAL C O doub N N 364 +VAL C OXT sing N N 365 +VAL CB CG1 sing N N 366 +VAL CB CG2 sing N N 367 +VAL CB HB sing N N 368 +VAL CG1 HG11 sing N N 369 +VAL CG1 HG12 sing N N 370 +VAL CG1 HG13 sing N N 371 +VAL CG2 HG21 sing N N 372 +VAL CG2 HG22 sing N N 373 +VAL CG2 HG23 sing N N 374 +VAL OXT HXT sing N N 375 +# +loop_ +_pdbx_initial_refinement_model.id +_pdbx_initial_refinement_model.entity_id_list +_pdbx_initial_refinement_model.type +_pdbx_initial_refinement_model.source_name +_pdbx_initial_refinement_model.accession_code +_pdbx_initial_refinement_model.details +1 ? 'experimental model' PDB 1HHI 'PDB ENTRIES 1HHI AND 1AO7' +2 ? 'experimental model' PDB 1AO7 'PDB ENTRIES 1HHI AND 1AO7' +# +_atom_sites.entry_id 1BD2 +_atom_sites.fract_transf_matrix[1][1] 0.015674 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.013643 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.004593 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +N +O +S +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . GLY A 1 1 ? 4.928 25.601 53.716 1.00 56.47 ? 1 GLY A N 1 +ATOM 2 C CA . GLY A 1 1 ? 5.455 26.959 54.016 1.00 60.73 ? 1 GLY A CA 1 +ATOM 3 C C . GLY A 1 1 ? 5.535 27.793 52.755 1.00 59.90 ? 1 GLY A C 1 +ATOM 4 O O . GLY A 1 1 ? 5.308 27.269 51.657 1.00 61.33 ? 1 GLY A O 1 +ATOM 5 N N . SER A 1 2 ? 5.860 29.077 52.911 1.00 56.73 ? 2 SER A N 1 +ATOM 6 C CA . SER A 1 2 ? 5.995 30.004 51.788 1.00 51.69 ? 2 SER A CA 1 +ATOM 7 C C . SER A 1 2 ? 6.992 29.502 50.749 1.00 48.65 ? 2 SER A C 1 +ATOM 8 O O . SER A 1 2 ? 7.835 28.649 51.041 1.00 47.19 ? 2 SER A O 1 +ATOM 9 C CB . SER A 1 2 ? 6.453 31.384 52.275 1.00 50.43 ? 2 SER A CB 1 +ATOM 10 O OG . SER A 1 2 ? 5.512 31.967 53.155 1.00 55.79 ? 2 SER A OG 1 +ATOM 11 N N . HIS A 1 3 ? 6.895 30.042 49.539 1.00 45.13 ? 3 HIS A N 1 +ATOM 12 C CA . HIS A 1 3 ? 7.780 29.679 48.439 1.00 40.71 ? 3 HIS A CA 1 +ATOM 13 C C . HIS A 1 3 ? 7.899 30.864 47.505 1.00 39.80 ? 3 HIS A C 1 +ATOM 14 O O . HIS A 1 3 ? 7.110 31.810 47.572 1.00 40.77 ? 3 HIS A O 1 +ATOM 15 C CB . HIS A 1 3 ? 7.251 28.459 47.677 1.00 39.18 ? 3 HIS A CB 1 +ATOM 16 C CG . HIS A 1 3 ? 7.404 27.167 48.422 1.00 43.37 ? 3 HIS A CG 1 +ATOM 17 N ND1 . HIS A 1 3 ? 8.620 26.711 48.890 1.00 37.60 ? 3 HIS A ND1 1 +ATOM 18 C CD2 . HIS A 1 3 ? 6.489 26.238 48.795 1.00 41.98 ? 3 HIS A CD2 1 +ATOM 19 C CE1 . HIS A 1 3 ? 8.449 25.561 49.518 1.00 36.06 ? 3 HIS A CE1 1 +ATOM 20 N NE2 . HIS A 1 3 ? 7.163 25.253 49.473 1.00 36.24 ? 3 HIS A NE2 1 +ATOM 21 N N . SER A 1 4 ? 8.909 30.833 46.653 1.00 38.79 ? 4 SER A N 1 +ATOM 22 C CA . SER A 1 4 ? 9.109 31.919 45.717 1.00 41.46 ? 4 SER A CA 1 +ATOM 23 C C . SER A 1 4 ? 9.952 31.530 44.500 1.00 39.36 ? 4 SER A C 1 +ATOM 24 O O . SER A 1 4 ? 10.726 30.565 44.552 1.00 36.13 ? 4 SER A O 1 +ATOM 25 C CB . SER A 1 4 ? 9.714 33.128 46.444 1.00 37.84 ? 4 SER A CB 1 +ATOM 26 O OG . SER A 1 4 ? 10.847 32.800 47.230 1.00 49.59 ? 4 SER A OG 1 +ATOM 27 N N . MET A 1 5 ? 9.717 32.225 43.385 1.00 36.57 ? 5 MET A N 1 +ATOM 28 C CA . MET A 1 5 ? 10.468 32.011 42.151 1.00 31.53 ? 5 MET A CA 1 +ATOM 29 C C . MET A 1 5 ? 10.976 33.378 41.757 1.00 27.14 ? 5 MET A C 1 +ATOM 30 O O . MET A 1 5 ? 10.224 34.353 41.806 1.00 19.97 ? 5 MET A O 1 +ATOM 31 C CB . MET A 1 5 ? 9.591 31.450 41.035 1.00 32.82 ? 5 MET A CB 1 +ATOM 32 C CG . MET A 1 5 ? 10.329 31.314 39.698 1.00 26.96 ? 5 MET A CG 1 +ATOM 33 S SD . MET A 1 5 ? 9.332 30.444 38.518 1.00 29.68 ? 5 MET A SD 1 +ATOM 34 C CE . MET A 1 5 ? 8.114 31.698 38.167 1.00 34.15 ? 5 MET A CE 1 +ATOM 35 N N . ARG A 1 6 ? 12.250 33.443 41.379 1.00 29.74 ? 6 ARG A N 1 +ATOM 36 C CA . ARG A 1 6 ? 12.889 34.703 41.001 1.00 35.75 ? 6 ARG A CA 1 +ATOM 37 C C . ARG A 1 6 ? 13.873 34.571 39.834 1.00 30.84 ? 6 ARG A C 1 +ATOM 38 O O . ARG A 1 6 ? 14.600 33.581 39.735 1.00 27.26 ? 6 ARG A O 1 +ATOM 39 C CB . ARG A 1 6 ? 13.662 35.273 42.196 1.00 45.61 ? 6 ARG A CB 1 +ATOM 40 C CG . ARG A 1 6 ? 12.908 35.314 43.511 1.00 53.13 ? 6 ARG A CG 1 +ATOM 41 C CD . ARG A 1 6 ? 11.708 36.211 43.399 1.00 63.76 ? 6 ARG A CD 1 +ATOM 42 N NE . ARG A 1 6 ? 11.759 37.299 44.360 1.00 68.82 ? 6 ARG A NE 1 +ATOM 43 C CZ . ARG A 1 6 ? 10.741 37.649 45.128 1.00 66.63 ? 6 ARG A CZ 1 +ATOM 44 N NH1 . ARG A 1 6 ? 9.585 37.005 45.042 1.00 67.01 ? 6 ARG A NH1 1 +ATOM 45 N NH2 . ARG A 1 6 ? 10.893 38.629 45.998 1.00 70.05 ? 6 ARG A NH2 1 +ATOM 46 N N . TYR A 1 7 ? 13.904 35.579 38.960 1.00 29.83 ? 7 TYR A N 1 +ATOM 47 C CA . TYR A 1 7 ? 14.833 35.594 37.823 1.00 23.63 ? 7 TYR A CA 1 +ATOM 48 C C . TYR A 1 7 ? 15.732 36.813 37.972 1.00 22.43 ? 7 TYR A C 1 +ATOM 49 O O . TYR A 1 7 ? 15.264 37.891 38.360 1.00 23.14 ? 7 TYR A O 1 +ATOM 50 C CB . TYR A 1 7 ? 14.083 35.653 36.497 1.00 16.86 ? 7 TYR A CB 1 +ATOM 51 C CG . TYR A 1 7 ? 13.361 34.372 36.113 1.00 9.18 ? 7 TYR A CG 1 +ATOM 52 C CD1 . TYR A 1 7 ? 14.024 33.362 35.415 1.00 10.95 ? 7 TYR A CD1 1 +ATOM 53 C CD2 . TYR A 1 7 ? 12.000 34.214 36.358 1.00 13.60 ? 7 TYR A CD2 1 +ATOM 54 C CE1 . TYR A 1 7 ? 13.360 32.235 34.965 1.00 4.61 ? 7 TYR A CE1 1 +ATOM 55 C CE2 . TYR A 1 7 ? 11.323 33.091 35.907 1.00 14.71 ? 7 TYR A CE2 1 +ATOM 56 C CZ . TYR A 1 7 ? 12.015 32.108 35.205 1.00 13.70 ? 7 TYR A CZ 1 +ATOM 57 O OH . TYR A 1 7 ? 11.332 31.014 34.723 1.00 19.56 ? 7 TYR A OH 1 +ATOM 58 N N . PHE A 1 8 ? 17.023 36.626 37.707 1.00 22.00 ? 8 PHE A N 1 +ATOM 59 C CA . PHE A 1 8 ? 18.019 37.690 37.838 1.00 23.04 ? 8 PHE A CA 1 +ATOM 60 C C . PHE A 1 8 ? 18.773 37.812 36.531 1.00 23.46 ? 8 PHE A C 1 +ATOM 61 O O . PHE A 1 8 ? 19.397 36.843 36.104 1.00 29.40 ? 8 PHE A O 1 +ATOM 62 C CB . PHE A 1 8 ? 19.046 37.348 38.940 1.00 24.06 ? 8 PHE A CB 1 +ATOM 63 C CG . PHE A 1 8 ? 18.437 37.081 40.292 1.00 21.21 ? 8 PHE A CG 1 +ATOM 64 C CD1 . PHE A 1 8 ? 17.712 35.910 40.528 1.00 23.44 ? 8 PHE A CD1 1 +ATOM 65 C CD2 . PHE A 1 8 ? 18.557 38.014 41.312 1.00 21.82 ? 8 PHE A CD2 1 +ATOM 66 C CE1 . PHE A 1 8 ? 17.107 35.675 41.738 1.00 18.38 ? 8 PHE A CE1 1 +ATOM 67 C CE2 . PHE A 1 8 ? 17.954 37.792 42.537 1.00 22.16 ? 8 PHE A CE2 1 +ATOM 68 C CZ . PHE A 1 8 ? 17.225 36.616 42.750 1.00 21.60 ? 8 PHE A CZ 1 +ATOM 69 N N . PHE A 1 9 ? 18.769 39.006 35.938 1.00 22.03 ? 9 PHE A N 1 +ATOM 70 C CA . PHE A 1 9 ? 19.452 39.264 34.668 1.00 16.03 ? 9 PHE A CA 1 +ATOM 71 C C . PHE A 1 9 ? 20.526 40.343 34.834 1.00 14.50 ? 9 PHE A C 1 +ATOM 72 O O . PHE A 1 9 ? 20.271 41.409 35.407 1.00 16.26 ? 9 PHE A O 1 +ATOM 73 C CB . PHE A 1 9 ? 18.444 39.719 33.591 1.00 14.57 ? 9 PHE A CB 1 +ATOM 74 C CG . PHE A 1 9 ? 17.182 38.907 33.551 1.00 5.50 ? 9 PHE A CG 1 +ATOM 75 C CD1 . PHE A 1 9 ? 16.102 39.252 34.347 1.00 7.30 ? 9 PHE A CD1 1 +ATOM 76 C CD2 . PHE A 1 9 ? 17.095 37.768 32.765 1.00 7.34 ? 9 PHE A CD2 1 +ATOM 77 C CE1 . PHE A 1 9 ? 14.940 38.466 34.377 1.00 11.31 ? 9 PHE A CE1 1 +ATOM 78 C CE2 . PHE A 1 9 ? 15.941 36.971 32.781 1.00 11.82 ? 9 PHE A CE2 1 +ATOM 79 C CZ . PHE A 1 9 ? 14.860 37.325 33.594 1.00 11.17 ? 9 PHE A CZ 1 +ATOM 80 N N . THR A 1 10 ? 21.704 40.098 34.277 1.00 16.39 ? 10 THR A N 1 +ATOM 81 C CA . THR A 1 10 ? 22.802 41.053 34.351 1.00 19.16 ? 10 THR A CA 1 +ATOM 82 C C . THR A 1 10 ? 23.370 41.301 32.960 1.00 19.42 ? 10 THR A C 1 +ATOM 83 O O . THR A 1 10 ? 23.746 40.353 32.286 1.00 21.21 ? 10 THR A O 1 +ATOM 84 C CB . THR A 1 10 ? 23.968 40.493 35.153 1.00 24.53 ? 10 THR A CB 1 +ATOM 85 O OG1 . THR A 1 10 ? 23.483 39.882 36.359 1.00 26.59 ? 10 THR A OG1 1 +ATOM 86 C CG2 . THR A 1 10 ? 24.989 41.603 35.440 1.00 17.04 ? 10 THR A CG2 1 +ATOM 87 N N . SER A 1 11 ? 23.486 42.563 32.560 1.00 20.30 ? 11 SER A N 1 +ATOM 88 C CA . SER A 1 11 ? 24.042 42.898 31.256 1.00 22.34 ? 11 SER A CA 1 +ATOM 89 C C . SER A 1 11 ? 25.107 43.970 31.458 1.00 24.84 ? 11 SER A C 1 +ATOM 90 O O . SER A 1 11 ? 24.810 45.040 31.987 1.00 30.15 ? 11 SER A O 1 +ATOM 91 C CB . SER A 1 11 ? 22.947 43.428 30.333 1.00 24.62 ? 11 SER A CB 1 +ATOM 92 O OG . SER A 1 11 ? 21.802 42.590 30.342 1.00 34.40 ? 11 SER A OG 1 +ATOM 93 N N . VAL A 1 12 ? 26.340 43.681 31.049 1.00 23.53 ? 12 VAL A N 1 +ATOM 94 C CA . VAL A 1 12 ? 27.453 44.626 31.192 1.00 23.03 ? 12 VAL A CA 1 +ATOM 95 C C . VAL A 1 12 ? 27.963 44.977 29.803 1.00 24.70 ? 12 VAL A C 1 +ATOM 96 O O . VAL A 1 12 ? 28.375 44.085 29.063 1.00 26.12 ? 12 VAL A O 1 +ATOM 97 C CB . VAL A 1 12 ? 28.609 43.987 31.995 1.00 18.38 ? 12 VAL A CB 1 +ATOM 98 C CG1 . VAL A 1 12 ? 29.717 44.988 32.223 1.00 12.47 ? 12 VAL A CG1 1 +ATOM 99 C CG2 . VAL A 1 12 ? 28.086 43.433 33.310 1.00 16.08 ? 12 VAL A CG2 1 +ATOM 100 N N . SER A 1 13 ? 27.933 46.257 29.438 1.00 26.57 ? 13 SER A N 1 +ATOM 101 C CA . SER A 1 13 ? 28.386 46.643 28.108 1.00 29.56 ? 13 SER A CA 1 +ATOM 102 C C . SER A 1 13 ? 29.875 46.457 27.952 1.00 35.03 ? 13 SER A C 1 +ATOM 103 O O . SER A 1 13 ? 30.624 46.593 28.912 1.00 42.26 ? 13 SER A O 1 +ATOM 104 C CB . SER A 1 13 ? 27.995 48.081 27.778 1.00 26.98 ? 13 SER A CB 1 +ATOM 105 O OG . SER A 1 13 ? 28.518 48.984 28.720 1.00 31.08 ? 13 SER A OG 1 +ATOM 106 N N . ARG A 1 14 ? 30.289 46.094 26.745 1.00 42.39 ? 14 ARG A N 1 +ATOM 107 C CA . ARG A 1 14 ? 31.698 45.888 26.428 1.00 44.38 ? 14 ARG A CA 1 +ATOM 108 C C . ARG A 1 14 ? 32.098 46.815 25.270 1.00 50.05 ? 14 ARG A C 1 +ATOM 109 O O . ARG A 1 14 ? 32.376 46.340 24.166 1.00 53.69 ? 14 ARG A O 1 +ATOM 110 C CB . ARG A 1 14 ? 31.954 44.427 26.022 1.00 44.62 ? 14 ARG A CB 1 +ATOM 111 C CG . ARG A 1 14 ? 31.972 43.409 27.159 1.00 45.50 ? 14 ARG A CG 1 +ATOM 112 C CD . ARG A 1 14 ? 32.425 42.022 26.673 1.00 43.56 ? 14 ARG A CD 1 +ATOM 113 N NE . ARG A 1 14 ? 31.427 41.352 25.843 1.00 43.48 ? 14 ARG A NE 1 +ATOM 114 C CZ . ARG A 1 14 ? 31.033 40.089 26.015 1.00 48.73 ? 14 ARG A CZ 1 +ATOM 115 N NH1 . ARG A 1 14 ? 31.561 39.350 26.983 1.00 49.25 ? 14 ARG A NH1 1 +ATOM 116 N NH2 . ARG A 1 14 ? 30.074 39.574 25.252 1.00 48.46 ? 14 ARG A NH2 1 +ATOM 117 N N . PRO A 1 15 ? 32.114 48.145 25.489 1.00 51.51 ? 15 PRO A N 1 +ATOM 118 C CA . PRO A 1 15 ? 32.486 49.094 24.439 1.00 52.13 ? 15 PRO A CA 1 +ATOM 119 C C . PRO A 1 15 ? 33.784 48.666 23.761 1.00 56.74 ? 15 PRO A C 1 +ATOM 120 O O . PRO A 1 15 ? 34.807 48.461 24.425 1.00 59.25 ? 15 PRO A O 1 +ATOM 121 C CB . PRO A 1 15 ? 32.652 50.397 25.206 1.00 49.56 ? 15 PRO A CB 1 +ATOM 122 C CG . PRO A 1 15 ? 31.610 50.279 26.240 1.00 51.03 ? 15 PRO A CG 1 +ATOM 123 C CD . PRO A 1 15 ? 31.828 48.876 26.742 1.00 54.88 ? 15 PRO A CD 1 +ATOM 124 N N . GLY A 1 16 ? 33.718 48.488 22.446 1.00 57.42 ? 16 GLY A N 1 +ATOM 125 C CA . GLY A 1 16 ? 34.878 48.057 21.695 1.00 53.72 ? 16 GLY A CA 1 +ATOM 126 C C . GLY A 1 16 ? 34.950 46.547 21.740 1.00 53.83 ? 16 GLY A C 1 +ATOM 127 O O . GLY A 1 16 ? 34.641 45.887 20.750 1.00 57.53 ? 16 GLY A O 1 +ATOM 128 N N . ARG A 1 17 ? 35.217 46.008 22.928 1.00 51.55 ? 17 ARG A N 1 +ATOM 129 C CA . ARG A 1 17 ? 35.343 44.570 23.110 1.00 48.60 ? 17 ARG A CA 1 +ATOM 130 C C . ARG A 1 17 ? 34.237 43.654 22.601 1.00 49.46 ? 17 ARG A C 1 +ATOM 131 O O . ARG A 1 17 ? 34.409 42.440 22.596 1.00 52.87 ? 17 ARG A O 1 +ATOM 132 N N . GLY A 1 18 ? 33.101 44.202 22.191 1.00 50.17 ? 18 GLY A N 1 +ATOM 133 C CA . GLY A 1 18 ? 32.030 43.353 21.700 1.00 47.25 ? 18 GLY A CA 1 +ATOM 134 C C . GLY A 1 18 ? 30.674 43.640 22.318 1.00 51.51 ? 18 GLY A C 1 +ATOM 135 O O . GLY A 1 18 ? 30.496 44.607 23.073 1.00 53.39 ? 18 GLY A O 1 +ATOM 136 N N . GLU A 1 19 ? 29.703 42.793 21.997 1.00 49.26 ? 19 GLU A N 1 +ATOM 137 C CA . GLU A 1 19 ? 28.355 42.949 22.523 1.00 49.09 ? 19 GLU A CA 1 +ATOM 138 C C . GLU A 1 19 ? 28.302 42.742 24.031 1.00 47.80 ? 19 GLU A C 1 +ATOM 139 O O . GLU A 1 19 ? 29.114 42.013 24.592 1.00 53.14 ? 19 GLU A O 1 +ATOM 140 C CB . GLU A 1 19 ? 27.411 41.974 21.828 1.00 51.79 ? 19 GLU A CB 1 +ATOM 141 C CG . GLU A 1 19 ? 27.162 42.330 20.370 1.00 62.99 ? 19 GLU A CG 1 +ATOM 142 C CD . GLU A 1 19 ? 26.483 43.690 20.196 1.00 69.06 ? 19 GLU A CD 1 +ATOM 143 O OE1 . GLU A 1 19 ? 27.171 44.742 20.199 1.00 67.63 ? 19 GLU A OE1 1 +ATOM 144 O OE2 . GLU A 1 19 ? 25.245 43.700 20.045 1.00 72.50 ? 19 GLU A OE2 1 +ATOM 145 N N . PRO A 1 20 ? 27.376 43.409 24.718 1.00 41.81 ? 20 PRO A N 1 +ATOM 146 C CA . PRO A 1 20 ? 27.296 43.232 26.163 1.00 36.55 ? 20 PRO A CA 1 +ATOM 147 C C . PRO A 1 20 ? 27.115 41.785 26.656 1.00 37.94 ? 20 PRO A C 1 +ATOM 148 O O . PRO A 1 20 ? 26.358 41.000 26.074 1.00 41.17 ? 20 PRO A O 1 +ATOM 149 C CB . PRO A 1 20 ? 26.109 44.120 26.553 1.00 38.30 ? 20 PRO A CB 1 +ATOM 150 C CG . PRO A 1 20 ? 25.341 44.311 25.269 1.00 34.04 ? 20 PRO A CG 1 +ATOM 151 C CD . PRO A 1 20 ? 26.433 44.453 24.269 1.00 38.07 ? 20 PRO A CD 1 +ATOM 152 N N . ARG A 1 21 ? 27.833 41.455 27.730 1.00 40.05 ? 21 ARG A N 1 +ATOM 153 C CA . ARG A 1 21 ? 27.775 40.150 28.395 1.00 33.33 ? 21 ARG A CA 1 +ATOM 154 C C . ARG A 1 21 ? 26.432 40.091 29.111 1.00 31.91 ? 21 ARG A C 1 +ATOM 155 O O . ARG A 1 21 ? 26.098 40.989 29.886 1.00 35.32 ? 21 ARG A O 1 +ATOM 156 C CB . ARG A 1 21 ? 28.897 40.058 29.430 1.00 37.85 ? 21 ARG A CB 1 +ATOM 157 C CG . ARG A 1 21 ? 28.866 38.828 30.347 1.00 40.51 ? 21 ARG A CG 1 +ATOM 158 C CD . ARG A 1 21 ? 29.230 37.570 29.596 1.00 38.75 ? 21 ARG A CD 1 +ATOM 159 N NE . ARG A 1 21 ? 29.416 36.407 30.460 1.00 34.99 ? 21 ARG A NE 1 +ATOM 160 C CZ . ARG A 1 21 ? 30.569 36.071 31.036 1.00 37.74 ? 21 ARG A CZ 1 +ATOM 161 N NH1 . ARG A 1 21 ? 31.652 36.822 30.860 1.00 32.65 ? 21 ARG A NH1 1 +ATOM 162 N NH2 . ARG A 1 21 ? 30.657 34.928 31.715 1.00 32.38 ? 21 ARG A NH2 1 +ATOM 163 N N . PHE A 1 22 ? 25.683 39.025 28.880 1.00 27.20 ? 22 PHE A N 1 +ATOM 164 C CA . PHE A 1 22 ? 24.368 38.873 29.479 1.00 20.19 ? 22 PHE A CA 1 +ATOM 165 C C . PHE A 1 22 ? 24.239 37.529 30.159 1.00 19.55 ? 22 PHE A C 1 +ATOM 166 O O . PHE A 1 22 ? 24.464 36.495 29.527 1.00 23.56 ? 22 PHE A O 1 +ATOM 167 C CB . PHE A 1 22 ? 23.294 38.989 28.384 1.00 20.50 ? 22 PHE A CB 1 +ATOM 168 C CG . PHE A 1 22 ? 21.897 38.679 28.854 1.00 18.82 ? 22 PHE A CG 1 +ATOM 169 C CD1 . PHE A 1 22 ? 21.182 39.599 29.610 1.00 13.47 ? 22 PHE A CD1 1 +ATOM 170 C CD2 . PHE A 1 22 ? 21.299 37.458 28.550 1.00 18.96 ? 22 PHE A CD2 1 +ATOM 171 C CE1 . PHE A 1 22 ? 19.904 39.307 30.057 1.00 15.08 ? 22 PHE A CE1 1 +ATOM 172 C CE2 . PHE A 1 22 ? 20.002 37.153 29.000 1.00 12.72 ? 22 PHE A CE2 1 +ATOM 173 C CZ . PHE A 1 22 ? 19.311 38.076 29.750 1.00 13.06 ? 22 PHE A CZ 1 +ATOM 174 N N . ILE A 1 23 ? 23.907 37.537 31.447 1.00 18.07 ? 23 ILE A N 1 +ATOM 175 C CA . ILE A 1 23 ? 23.695 36.287 32.180 1.00 15.65 ? 23 ILE A CA 1 +ATOM 176 C C . ILE A 1 23 ? 22.308 36.336 32.762 1.00 14.04 ? 23 ILE A C 1 +ATOM 177 O O . ILE A 1 23 ? 21.881 37.390 33.236 1.00 20.07 ? 23 ILE A O 1 +ATOM 178 C CB . ILE A 1 23 ? 24.633 36.115 33.357 1.00 16.38 ? 23 ILE A CB 1 +ATOM 179 C CG1 . ILE A 1 23 ? 26.075 36.376 32.934 1.00 17.20 ? 23 ILE A CG1 1 +ATOM 180 C CG2 . ILE A 1 23 ? 24.445 34.717 33.942 1.00 15.36 ? 23 ILE A CG2 1 +ATOM 181 C CD1 . ILE A 1 23 ? 26.963 35.158 32.995 1.00 21.90 ? 23 ILE A CD1 1 +ATOM 182 N N . ALA A 1 24 ? 21.595 35.221 32.725 1.00 11.52 ? 24 ALA A N 1 +ATOM 183 C CA . ALA A 1 24 ? 20.253 35.186 33.278 1.00 12.55 ? 24 ALA A CA 1 +ATOM 184 C C . ALA A 1 24 ? 20.118 33.894 34.022 1.00 20.69 ? 24 ALA A C 1 +ATOM 185 O O . ALA A 1 24 ? 20.422 32.840 33.465 1.00 23.59 ? 24 ALA A O 1 +ATOM 186 C CB . ALA A 1 24 ? 19.232 35.255 32.201 1.00 14.51 ? 24 ALA A CB 1 +ATOM 187 N N . VAL A 1 25 ? 19.666 33.974 35.274 1.00 18.90 ? 25 VAL A N 1 +ATOM 188 C CA . VAL A 1 25 ? 19.497 32.802 36.122 1.00 15.98 ? 25 VAL A CA 1 +ATOM 189 C C . VAL A 1 25 ? 18.157 32.874 36.809 1.00 10.42 ? 25 VAL A C 1 +ATOM 190 O O . VAL A 1 25 ? 17.650 33.957 37.082 1.00 15.26 ? 25 VAL A O 1 +ATOM 191 C CB . VAL A 1 25 ? 20.584 32.748 37.198 1.00 20.49 ? 25 VAL A CB 1 +ATOM 192 C CG1 . VAL A 1 25 ? 21.969 32.764 36.551 1.00 15.56 ? 25 VAL A CG1 1 +ATOM 193 C CG2 . VAL A 1 25 ? 20.435 33.924 38.136 1.00 23.96 ? 25 VAL A CG2 1 +ATOM 194 N N . GLY A 1 26 ? 17.575 31.719 37.069 1.00 8.43 ? 26 GLY A N 1 +ATOM 195 C CA . GLY A 1 26 ? 16.280 31.672 37.722 1.00 16.15 ? 26 GLY A CA 1 +ATOM 196 C C . GLY A 1 26 ? 16.376 30.751 38.921 1.00 20.96 ? 26 GLY A C 1 +ATOM 197 O O . GLY A 1 26 ? 17.091 29.738 38.871 1.00 22.37 ? 26 GLY A O 1 +ATOM 198 N N . TYR A 1 27 ? 15.646 31.077 39.985 1.00 23.00 ? 27 TYR A N 1 +ATOM 199 C CA . TYR A 1 27 ? 15.677 30.303 41.219 1.00 17.59 ? 27 TYR A CA 1 +ATOM 200 C C . TYR A 1 27 ? 14.298 30.033 41.750 1.00 18.26 ? 27 TYR A C 1 +ATOM 201 O O . TYR A 1 27 ? 13.381 30.826 41.544 1.00 22.25 ? 27 TYR A O 1 +ATOM 202 C CB . TYR A 1 27 ? 16.387 31.097 42.312 1.00 12.68 ? 27 TYR A CB 1 +ATOM 203 C CG . TYR A 1 27 ? 17.889 31.252 42.200 1.00 18.20 ? 27 TYR A CG 1 +ATOM 204 C CD1 . TYR A 1 27 ? 18.742 30.341 42.811 1.00 20.67 ? 27 TYR A CD1 1 +ATOM 205 C CD2 . TYR A 1 27 ? 18.456 32.359 41.574 1.00 18.42 ? 27 TYR A CD2 1 +ATOM 206 C CE1 . TYR A 1 27 ? 20.119 30.522 42.813 1.00 22.25 ? 27 TYR A CE1 1 +ATOM 207 C CE2 . TYR A 1 27 ? 19.843 32.554 41.570 1.00 21.04 ? 27 TYR A CE2 1 +ATOM 208 C CZ . TYR A 1 27 ? 20.667 31.626 42.198 1.00 28.81 ? 27 TYR A CZ 1 +ATOM 209 O OH . TYR A 1 27 ? 22.042 31.795 42.228 1.00 35.88 ? 27 TYR A OH 1 +ATOM 210 N N . VAL A 1 28 ? 14.130 28.869 42.355 1.00 22.92 ? 28 VAL A N 1 +ATOM 211 C CA . VAL A 1 28 ? 12.886 28.550 43.049 1.00 28.30 ? 28 VAL A CA 1 +ATOM 212 C C . VAL A 1 28 ? 13.475 28.444 44.455 1.00 29.54 ? 28 VAL A C 1 +ATOM 213 O O . VAL A 1 28 ? 14.344 27.602 44.697 1.00 29.29 ? 28 VAL A O 1 +ATOM 214 C CB . VAL A 1 28 ? 12.267 27.221 42.640 1.00 30.35 ? 28 VAL A CB 1 +ATOM 215 C CG1 . VAL A 1 28 ? 11.057 26.923 43.526 1.00 29.77 ? 28 VAL A CG1 1 +ATOM 216 C CG2 . VAL A 1 28 ? 11.821 27.290 41.211 1.00 36.57 ? 28 VAL A CG2 1 +ATOM 217 N N . ASP A 1 29 ? 13.102 29.375 45.331 1.00 32.00 ? 29 ASP A N 1 +ATOM 218 C CA . ASP A 1 29 ? 13.633 29.444 46.693 1.00 33.96 ? 29 ASP A CA 1 +ATOM 219 C C . ASP A 1 29 ? 15.147 29.648 46.553 1.00 35.29 ? 29 ASP A C 1 +ATOM 220 O O . ASP A 1 29 ? 15.578 30.446 45.726 1.00 34.84 ? 29 ASP A O 1 +ATOM 221 C CB . ASP A 1 29 ? 13.300 28.183 47.519 1.00 34.44 ? 29 ASP A CB 1 +ATOM 222 C CG . ASP A 1 29 ? 11.831 28.080 47.874 1.00 30.08 ? 29 ASP A CG 1 +ATOM 223 O OD1 . ASP A 1 29 ? 11.179 29.135 47.998 1.00 34.17 ? 29 ASP A OD1 1 +ATOM 224 O OD2 . ASP A 1 29 ? 11.330 26.944 48.041 1.00 26.25 ? 29 ASP A OD2 1 +ATOM 225 N N . ASP A 1 30 ? 15.950 28.895 47.302 1.00 40.57 ? 30 ASP A N 1 +ATOM 226 C CA . ASP A 1 30 ? 17.405 29.033 47.241 1.00 37.32 ? 30 ASP A CA 1 +ATOM 227 C C . ASP A 1 30 ? 18.081 28.092 46.239 1.00 34.93 ? 30 ASP A C 1 +ATOM 228 O O . ASP A 1 30 ? 19.313 27.993 46.198 1.00 29.46 ? 30 ASP A O 1 +ATOM 229 C CB . ASP A 1 30 ? 18.001 28.870 48.643 1.00 40.56 ? 30 ASP A CB 1 +ATOM 230 C CG . ASP A 1 30 ? 17.486 29.928 49.625 1.00 49.56 ? 30 ASP A CG 1 +ATOM 231 O OD1 . ASP A 1 30 ? 17.520 31.129 49.278 1.00 51.86 ? 30 ASP A OD1 1 +ATOM 232 O OD2 . ASP A 1 30 ? 17.038 29.565 50.737 1.00 47.57 ? 30 ASP A OD2 1 +ATOM 233 N N . THR A 1 31 ? 17.275 27.438 45.407 1.00 34.99 ? 31 THR A N 1 +ATOM 234 C CA . THR A 1 31 ? 17.787 26.510 44.394 1.00 40.46 ? 31 THR A CA 1 +ATOM 235 C C . THR A 1 31 ? 17.714 27.108 42.989 1.00 41.06 ? 31 THR A C 1 +ATOM 236 O O . THR A 1 31 ? 16.632 27.504 42.535 1.00 44.58 ? 31 THR A O 1 +ATOM 237 C CB . THR A 1 31 ? 16.982 25.183 44.391 1.00 43.01 ? 31 THR A CB 1 +ATOM 238 O OG1 . THR A 1 31 ? 17.063 24.570 45.686 1.00 52.83 ? 31 THR A OG1 1 +ATOM 239 C CG2 . THR A 1 31 ? 17.527 24.210 43.333 1.00 44.63 ? 31 THR A CG2 1 +ATOM 240 N N . GLN A 1 32 ? 18.860 27.179 42.310 1.00 37.51 ? 32 GLN A N 1 +ATOM 241 C CA . GLN A 1 32 ? 18.929 27.698 40.944 1.00 36.53 ? 32 GLN A CA 1 +ATOM 242 C C . GLN A 1 32 ? 18.428 26.572 40.050 1.00 37.64 ? 32 GLN A C 1 +ATOM 243 O O . GLN A 1 32 ? 18.769 25.410 40.287 1.00 40.58 ? 32 GLN A O 1 +ATOM 244 C CB . GLN A 1 32 ? 20.377 28.041 40.574 1.00 38.36 ? 32 GLN A CB 1 +ATOM 245 C CG . GLN A 1 32 ? 20.532 28.857 39.286 1.00 42.36 ? 32 GLN A CG 1 +ATOM 246 C CD . GLN A 1 32 ? 21.960 28.852 38.701 1.00 41.79 ? 32 GLN A CD 1 +ATOM 247 O OE1 . GLN A 1 32 ? 22.928 28.445 39.346 1.00 40.63 ? 32 GLN A OE1 1 +ATOM 248 N NE2 . GLN A 1 32 ? 22.077 29.295 37.460 1.00 42.96 ? 32 GLN A NE2 1 +ATOM 249 N N . PHE A 1 33 ? 17.576 26.889 39.076 1.00 36.33 ? 33 PHE A N 1 +ATOM 250 C CA . PHE A 1 33 ? 17.068 25.844 38.187 1.00 35.51 ? 33 PHE A CA 1 +ATOM 251 C C . PHE A 1 33 ? 17.341 25.998 36.690 1.00 35.42 ? 33 PHE A C 1 +ATOM 252 O O . PHE A 1 33 ? 17.452 24.988 35.986 1.00 36.39 ? 33 PHE A O 1 +ATOM 253 C CB . PHE A 1 33 ? 15.587 25.541 38.437 1.00 25.06 ? 33 PHE A CB 1 +ATOM 254 C CG . PHE A 1 33 ? 14.650 26.663 38.096 1.00 32.16 ? 33 PHE A CG 1 +ATOM 255 C CD1 . PHE A 1 33 ? 14.749 27.899 38.721 1.00 36.50 ? 33 PHE A CD1 1 +ATOM 256 C CD2 . PHE A 1 33 ? 13.614 26.459 37.200 1.00 29.79 ? 33 PHE A CD2 1 +ATOM 257 C CE1 . PHE A 1 33 ? 13.821 28.912 38.458 1.00 31.40 ? 33 PHE A CE1 1 +ATOM 258 C CE2 . PHE A 1 33 ? 12.690 27.465 36.935 1.00 23.87 ? 33 PHE A CE2 1 +ATOM 259 C CZ . PHE A 1 33 ? 12.792 28.688 37.565 1.00 23.38 ? 33 PHE A CZ 1 +ATOM 260 N N . VAL A 1 34 ? 17.427 27.239 36.203 1.00 30.95 ? 34 VAL A N 1 +ATOM 261 C CA . VAL A 1 34 ? 17.699 27.498 34.787 1.00 25.15 ? 34 VAL A CA 1 +ATOM 262 C C . VAL A 1 34 ? 18.741 28.591 34.619 1.00 22.93 ? 34 VAL A C 1 +ATOM 263 O O . VAL A 1 34 ? 18.996 29.365 35.545 1.00 17.79 ? 34 VAL A O 1 +ATOM 264 C CB . VAL A 1 34 ? 16.411 27.865 33.962 1.00 23.77 ? 34 VAL A CB 1 +ATOM 265 C CG1 . VAL A 1 34 ? 15.442 26.678 33.905 1.00 19.68 ? 34 VAL A CG1 1 +ATOM 266 C CG2 . VAL A 1 34 ? 15.722 29.119 34.518 1.00 21.35 ? 34 VAL A CG2 1 +ATOM 267 N N . ARG A 1 35 ? 19.363 28.633 33.444 1.00 26.65 ? 35 ARG A N 1 +ATOM 268 C CA . ARG A 1 35 ? 20.378 29.636 33.163 1.00 28.90 ? 35 ARG A CA 1 +ATOM 269 C C . ARG A 1 35 ? 20.497 29.986 31.683 1.00 28.02 ? 35 ARG A C 1 +ATOM 270 O O . ARG A 1 35 ? 19.862 29.372 30.827 1.00 32.32 ? 35 ARG A O 1 +ATOM 271 C CB . ARG A 1 35 ? 21.747 29.197 33.712 1.00 32.70 ? 35 ARG A CB 1 +ATOM 272 C CG . ARG A 1 35 ? 22.521 28.222 32.849 1.00 29.88 ? 35 ARG A CG 1 +ATOM 273 C CD . ARG A 1 35 ? 23.859 28.813 32.453 1.00 41.92 ? 35 ARG A CD 1 +ATOM 274 N NE . ARG A 1 35 ? 24.652 27.881 31.654 1.00 58.32 ? 35 ARG A NE 1 +ATOM 275 C CZ . ARG A 1 35 ? 25.706 27.202 32.103 1.00 64.57 ? 35 ARG A CZ 1 +ATOM 276 N NH1 . ARG A 1 35 ? 26.117 27.350 33.356 1.00 72.71 ? 35 ARG A NH1 1 +ATOM 277 N NH2 . ARG A 1 35 ? 26.326 26.334 31.310 1.00 65.94 ? 35 ARG A NH2 1 +ATOM 278 N N . PHE A 1 36 ? 21.306 31.002 31.409 1.00 24.55 ? 36 PHE A N 1 +ATOM 279 C CA . PHE A 1 36 ? 21.567 31.490 30.069 1.00 20.61 ? 36 PHE A CA 1 +ATOM 280 C C . PHE A 1 36 ? 22.727 32.458 30.147 1.00 15.72 ? 36 PHE A C 1 +ATOM 281 O O . PHE A 1 36 ? 22.738 33.359 30.973 1.00 22.24 ? 36 PHE A O 1 +ATOM 282 C CB . PHE A 1 36 ? 20.349 32.220 29.463 1.00 25.29 ? 36 PHE A CB 1 +ATOM 283 C CG . PHE A 1 36 ? 20.592 32.731 28.062 1.00 29.57 ? 36 PHE A CG 1 +ATOM 284 C CD1 . PHE A 1 36 ? 21.223 33.952 27.854 1.00 29.54 ? 36 PHE A CD1 1 +ATOM 285 C CD2 . PHE A 1 36 ? 20.308 31.936 26.957 1.00 30.17 ? 36 PHE A CD2 1 +ATOM 286 C CE1 . PHE A 1 36 ? 21.579 34.362 26.578 1.00 29.80 ? 36 PHE A CE1 1 +ATOM 287 C CE2 . PHE A 1 36 ? 20.663 32.347 25.676 1.00 28.38 ? 36 PHE A CE2 1 +ATOM 288 C CZ . PHE A 1 36 ? 21.301 33.559 25.491 1.00 24.32 ? 36 PHE A CZ 1 +ATOM 289 N N . ASP A 1 37 ? 23.665 32.301 29.228 1.00 23.18 ? 37 ASP A N 1 +ATOM 290 C CA . ASP A 1 37 ? 24.837 33.148 29.145 1.00 21.15 ? 37 ASP A CA 1 +ATOM 291 C C . ASP A 1 37 ? 25.169 33.392 27.683 1.00 28.21 ? 37 ASP A C 1 +ATOM 292 O O . ASP A 1 37 ? 25.277 32.449 26.883 1.00 25.82 ? 37 ASP A O 1 +ATOM 293 C CB . ASP A 1 37 ? 26.024 32.476 29.819 1.00 26.51 ? 37 ASP A CB 1 +ATOM 294 C CG . ASP A 1 37 ? 27.247 33.353 29.841 1.00 28.93 ? 37 ASP A CG 1 +ATOM 295 O OD1 . ASP A 1 37 ? 27.112 34.587 29.718 1.00 30.72 ? 37 ASP A OD1 1 +ATOM 296 O OD2 . ASP A 1 37 ? 28.354 32.810 30.000 1.00 39.78 ? 37 ASP A OD2 1 +ATOM 297 N N . SER A 1 38 ? 25.303 34.669 27.346 1.00 29.99 ? 38 SER A N 1 +ATOM 298 C CA . SER A 1 38 ? 25.627 35.104 25.999 1.00 26.96 ? 38 SER A CA 1 +ATOM 299 C C . SER A 1 38 ? 26.985 34.587 25.518 1.00 29.42 ? 38 SER A C 1 +ATOM 300 O O . SER A 1 38 ? 27.174 34.355 24.324 1.00 37.57 ? 38 SER A O 1 +ATOM 301 C CB . SER A 1 38 ? 25.585 36.637 25.921 1.00 27.82 ? 38 SER A CB 1 +ATOM 302 O OG . SER A 1 38 ? 26.576 37.239 26.738 1.00 29.18 ? 38 SER A OG 1 +ATOM 303 N N . ASP A 1 39 ? 27.940 34.446 26.430 1.00 30.58 ? 39 ASP A N 1 +ATOM 304 C CA . ASP A 1 39 ? 29.269 33.954 26.065 1.00 29.36 ? 39 ASP A CA 1 +ATOM 305 C C . ASP A 1 39 ? 29.406 32.428 26.103 1.00 32.42 ? 39 ASP A C 1 +ATOM 306 O O . ASP A 1 39 ? 30.497 31.892 25.936 1.00 30.64 ? 39 ASP A O 1 +ATOM 307 C CB . ASP A 1 39 ? 30.354 34.626 26.913 1.00 29.36 ? 39 ASP A CB 1 +ATOM 308 C CG . ASP A 1 39 ? 30.565 36.104 26.544 1.00 37.38 ? 39 ASP A CG 1 +ATOM 309 O OD1 . ASP A 1 39 ? 29.599 36.788 26.129 1.00 42.64 ? 39 ASP A OD1 1 +ATOM 310 O OD2 . ASP A 1 39 ? 31.708 36.591 26.676 1.00 35.37 ? 39 ASP A OD2 1 +ATOM 311 N N . ALA A 1 40 ? 28.299 31.730 26.339 1.00 36.12 ? 40 ALA A N 1 +ATOM 312 C CA . ALA A 1 40 ? 28.305 30.267 26.358 1.00 39.54 ? 40 ALA A CA 1 +ATOM 313 C C . ALA A 1 40 ? 28.159 29.796 24.912 1.00 40.75 ? 40 ALA A C 1 +ATOM 314 O O . ALA A 1 40 ? 27.886 30.597 24.009 1.00 47.14 ? 40 ALA A O 1 +ATOM 315 C CB . ALA A 1 40 ? 27.148 29.721 27.221 1.00 39.01 ? 40 ALA A CB 1 +ATOM 316 N N . ALA A 1 41 ? 28.302 28.496 24.692 1.00 37.75 ? 41 ALA A N 1 +ATOM 317 C CA . ALA A 1 41 ? 28.199 27.954 23.349 1.00 35.64 ? 41 ALA A CA 1 +ATOM 318 C C . ALA A 1 41 ? 26.766 27.721 22.862 1.00 37.61 ? 41 ALA A C 1 +ATOM 319 O O . ALA A 1 41 ? 26.393 28.149 21.771 1.00 45.05 ? 41 ALA A O 1 +ATOM 320 C CB . ALA A 1 41 ? 29.007 26.674 23.242 1.00 28.93 ? 41 ALA A CB 1 +ATOM 321 N N . SER A 1 42 ? 25.935 27.138 23.711 1.00 36.93 ? 42 SER A N 1 +ATOM 322 C CA . SER A 1 42 ? 24.567 26.792 23.334 1.00 36.62 ? 42 SER A CA 1 +ATOM 323 C C . SER A 1 42 ? 23.597 27.816 22.783 1.00 38.55 ? 42 SER A C 1 +ATOM 324 O O . SER A 1 42 ? 22.772 27.469 21.933 1.00 40.37 ? 42 SER A O 1 +ATOM 325 C CB . SER A 1 42 ? 23.872 26.060 24.483 1.00 40.66 ? 42 SER A CB 1 +ATOM 326 O OG . SER A 1 42 ? 23.883 26.843 25.662 1.00 47.64 ? 42 SER A OG 1 +ATOM 327 N N . GLN A 1 43 ? 23.649 29.045 23.297 1.00 38.97 ? 43 GLN A N 1 +ATOM 328 C CA . GLN A 1 43 ? 22.706 30.109 22.910 1.00 33.05 ? 43 GLN A CA 1 +ATOM 329 C C . GLN A 1 43 ? 21.277 29.652 23.206 1.00 33.87 ? 43 GLN A C 1 +ATOM 330 O O . GLN A 1 43 ? 20.325 30.065 22.536 1.00 35.54 ? 43 GLN A O 1 +ATOM 331 C CB . GLN A 1 43 ? 22.831 30.492 21.442 1.00 28.08 ? 43 GLN A CB 1 +ATOM 332 C CG . GLN A 1 43 ? 24.164 31.096 21.105 1.00 34.29 ? 43 GLN A CG 1 +ATOM 333 C CD . GLN A 1 43 ? 24.472 32.333 21.923 1.00 35.10 ? 43 GLN A CD 1 +ATOM 334 O OE1 . GLN A 1 43 ? 23.740 33.331 21.856 1.00 37.56 ? 43 GLN A OE1 1 +ATOM 335 N NE2 . GLN A 1 43 ? 25.567 32.286 22.690 1.00 21.44 ? 43 GLN A NE2 1 +ATOM 336 N N . ARG A 1 44 ? 21.148 28.827 24.246 1.00 32.15 ? 44 ARG A N 1 +ATOM 337 C CA . ARG A 1 44 ? 19.870 28.289 24.676 1.00 31.01 ? 44 ARG A CA 1 +ATOM 338 C C . ARG A 1 44 ? 19.760 28.333 26.173 1.00 29.58 ? 44 ARG A C 1 +ATOM 339 O O . ARG A 1 44 ? 20.776 28.412 26.858 1.00 36.76 ? 44 ARG A O 1 +ATOM 340 C CB . ARG A 1 44 ? 19.737 26.845 24.229 1.00 30.97 ? 44 ARG A CB 1 +ATOM 341 C CG . ARG A 1 44 ? 19.373 26.721 22.795 1.00 28.07 ? 44 ARG A CG 1 +ATOM 342 C CD . ARG A 1 44 ? 19.247 25.295 22.439 1.00 31.90 ? 44 ARG A CD 1 +ATOM 343 N NE . ARG A 1 44 ? 18.053 24.647 22.977 1.00 36.63 ? 44 ARG A NE 1 +ATOM 344 C CZ . ARG A 1 44 ? 16.798 25.027 22.734 1.00 35.92 ? 44 ARG A CZ 1 +ATOM 345 N NH1 . ARG A 1 44 ? 16.532 26.084 21.971 1.00 28.06 ? 44 ARG A NH1 1 +ATOM 346 N NH2 . ARG A 1 44 ? 15.799 24.263 23.149 1.00 34.22 ? 44 ARG A NH2 1 +ATOM 347 N N . MET A 1 45 ? 18.525 28.340 26.669 1.00 31.42 ? 45 MET A N 1 +ATOM 348 C CA . MET A 1 45 ? 18.253 28.337 28.109 1.00 29.72 ? 45 MET A CA 1 +ATOM 349 C C . MET A 1 45 ? 18.633 26.939 28.570 1.00 30.58 ? 45 MET A C 1 +ATOM 350 O O . MET A 1 45 ? 18.141 25.962 28.013 1.00 39.07 ? 45 MET A O 1 +ATOM 351 C CB . MET A 1 45 ? 16.764 28.542 28.358 1.00 31.31 ? 45 MET A CB 1 +ATOM 352 C CG . MET A 1 45 ? 16.386 28.525 29.808 1.00 26.87 ? 45 MET A CG 1 +ATOM 353 S SD . MET A 1 45 ? 17.001 30.016 30.573 1.00 30.14 ? 45 MET A SD 1 +ATOM 354 C CE . MET A 1 45 ? 15.531 30.860 30.685 1.00 17.84 ? 45 MET A CE 1 +ATOM 355 N N . GLU A 1 46 ? 19.499 26.817 29.562 1.00 27.36 ? 46 GLU A N 1 +ATOM 356 C CA . GLU A 1 46 ? 19.902 25.492 29.998 1.00 26.29 ? 46 GLU A CA 1 +ATOM 357 C C . GLU A 1 46 ? 19.382 25.094 31.380 1.00 30.98 ? 46 GLU A C 1 +ATOM 358 O O . GLU A 1 46 ? 19.167 25.948 32.247 1.00 30.08 ? 46 GLU A O 1 +ATOM 359 C CB . GLU A 1 46 ? 21.422 25.388 29.959 1.00 24.65 ? 46 GLU A CB 1 +ATOM 360 C CG . GLU A 1 46 ? 22.028 25.628 28.602 1.00 30.21 ? 46 GLU A CG 1 +ATOM 361 C CD . GLU A 1 46 ? 23.506 25.949 28.679 1.00 36.56 ? 46 GLU A CD 1 +ATOM 362 O OE1 . GLU A 1 46 ? 24.316 25.003 28.668 1.00 45.02 ? 46 GLU A OE1 1 +ATOM 363 O OE2 . GLU A 1 46 ? 23.859 27.150 28.745 1.00 42.72 ? 46 GLU A OE2 1 +ATOM 364 N N . PRO A 1 47 ? 19.140 23.782 31.587 1.00 32.34 ? 47 PRO A N 1 +ATOM 365 C CA . PRO A 1 47 ? 18.653 23.250 32.860 1.00 30.87 ? 47 PRO A CA 1 +ATOM 366 C C . PRO A 1 47 ? 19.814 23.183 33.835 1.00 34.24 ? 47 PRO A C 1 +ATOM 367 O O . PRO A 1 47 ? 20.886 22.667 33.503 1.00 35.01 ? 47 PRO A O 1 +ATOM 368 C CB . PRO A 1 47 ? 18.231 21.822 32.510 1.00 26.82 ? 47 PRO A CB 1 +ATOM 369 C CG . PRO A 1 47 ? 18.192 21.786 31.016 1.00 37.54 ? 47 PRO A CG 1 +ATOM 370 C CD . PRO A 1 47 ? 19.285 22.701 30.604 1.00 31.55 ? 47 PRO A CD 1 +ATOM 371 N N . ARG A 1 48 ? 19.620 23.742 35.022 1.00 38.71 ? 48 ARG A N 1 +ATOM 372 C CA . ARG A 1 48 ? 20.643 23.697 36.051 1.00 41.68 ? 48 ARG A CA 1 +ATOM 373 C C . ARG A 1 48 ? 20.099 22.990 37.294 1.00 41.02 ? 48 ARG A C 1 +ATOM 374 O O . ARG A 1 48 ? 20.711 23.031 38.360 1.00 45.65 ? 48 ARG A O 1 +ATOM 375 C CB . ARG A 1 48 ? 21.194 25.091 36.359 1.00 40.09 ? 48 ARG A CB 1 +ATOM 376 C CG . ARG A 1 48 ? 22.081 25.636 35.250 1.00 42.60 ? 48 ARG A CG 1 +ATOM 377 C CD . ARG A 1 48 ? 23.485 25.945 35.735 1.00 50.49 ? 48 ARG A CD 1 +ATOM 378 N NE . ARG A 1 48 ? 24.393 24.805 35.638 1.00 62.37 ? 48 ARG A NE 1 +ATOM 379 C CZ . ARG A 1 48 ? 25.710 24.876 35.843 1.00 76.10 ? 48 ARG A CZ 1 +ATOM 380 N NH1 . ARG A 1 48 ? 26.282 26.033 36.163 1.00 78.36 ? 48 ARG A NH1 1 +ATOM 381 N NH2 . ARG A 1 48 ? 26.471 23.791 35.717 1.00 85.21 ? 48 ARG A NH2 1 +ATOM 382 N N . ALA A 1 49 ? 18.972 22.301 37.114 1.00 40.11 ? 49 ALA A N 1 +ATOM 383 C CA . ALA A 1 49 ? 18.313 21.525 38.163 1.00 41.93 ? 49 ALA A CA 1 +ATOM 384 C C . ALA A 1 49 ? 17.722 20.266 37.516 1.00 42.94 ? 49 ALA A C 1 +ATOM 385 O O . ALA A 1 49 ? 17.093 20.347 36.474 1.00 46.35 ? 49 ALA A O 1 +ATOM 386 C CB . ALA A 1 49 ? 17.215 22.345 38.817 1.00 50.28 ? 49 ALA A CB 1 +ATOM 387 N N . PRO A 1 50 ? 17.866 19.098 38.154 1.00 46.61 ? 50 PRO A N 1 +ATOM 388 C CA . PRO A 1 50 ? 17.345 17.840 37.609 1.00 44.57 ? 50 PRO A CA 1 +ATOM 389 C C . PRO A 1 50 ? 15.843 17.787 37.389 1.00 40.45 ? 50 PRO A C 1 +ATOM 390 O O . PRO A 1 50 ? 15.377 17.118 36.482 1.00 48.48 ? 50 PRO A O 1 +ATOM 391 C CB . PRO A 1 50 ? 17.777 16.808 38.652 1.00 48.77 ? 50 PRO A CB 1 +ATOM 392 C CG . PRO A 1 50 ? 18.998 17.430 39.269 1.00 53.65 ? 50 PRO A CG 1 +ATOM 393 C CD . PRO A 1 50 ? 18.538 18.853 39.443 1.00 53.12 ? 50 PRO A CD 1 +ATOM 394 N N . TRP A 1 51 ? 15.085 18.493 38.211 1.00 38.26 ? 51 TRP A N 1 +ATOM 395 C CA . TRP A 1 51 ? 13.630 18.480 38.087 1.00 35.29 ? 51 TRP A CA 1 +ATOM 396 C C . TRP A 1 51 ? 13.122 19.224 36.870 1.00 33.17 ? 51 TRP A C 1 +ATOM 397 O O . TRP A 1 51 ? 12.050 18.909 36.358 1.00 34.11 ? 51 TRP A O 1 +ATOM 398 C CB . TRP A 1 51 ? 12.955 19.002 39.373 1.00 41.75 ? 51 TRP A CB 1 +ATOM 399 C CG . TRP A 1 51 ? 13.607 20.228 40.030 1.00 43.84 ? 51 TRP A CG 1 +ATOM 400 C CD1 . TRP A 1 51 ? 14.737 20.247 40.807 1.00 42.92 ? 51 TRP A CD1 1 +ATOM 401 C CD2 . TRP A 1 51 ? 13.144 21.584 39.972 1.00 44.75 ? 51 TRP A CD2 1 +ATOM 402 N NE1 . TRP A 1 51 ? 15.003 21.526 41.227 1.00 44.81 ? 51 TRP A NE1 1 +ATOM 403 C CE2 . TRP A 1 51 ? 14.042 22.367 40.732 1.00 44.64 ? 51 TRP A CE2 1 +ATOM 404 C CE3 . TRP A 1 51 ? 12.060 22.217 39.347 1.00 47.01 ? 51 TRP A CE3 1 +ATOM 405 C CZ2 . TRP A 1 51 ? 13.887 23.751 40.886 1.00 44.41 ? 51 TRP A CZ2 1 +ATOM 406 C CZ3 . TRP A 1 51 ? 11.908 23.595 39.499 1.00 45.53 ? 51 TRP A CZ3 1 +ATOM 407 C CH2 . TRP A 1 51 ? 12.816 24.343 40.264 1.00 43.36 ? 51 TRP A CH2 1 +ATOM 408 N N . ILE A 1 52 ? 13.909 20.195 36.402 1.00 36.63 ? 52 ILE A N 1 +ATOM 409 C CA . ILE A 1 52 ? 13.555 21.013 35.235 1.00 33.67 ? 52 ILE A CA 1 +ATOM 410 C C . ILE A 1 52 ? 13.915 20.269 33.960 1.00 34.30 ? 52 ILE A C 1 +ATOM 411 O O . ILE A 1 52 ? 13.266 20.448 32.941 1.00 38.39 ? 52 ILE A O 1 +ATOM 412 C CB . ILE A 1 52 ? 14.247 22.433 35.272 1.00 26.94 ? 52 ILE A CB 1 +ATOM 413 C CG1 . ILE A 1 52 ? 13.459 23.449 34.450 1.00 23.30 ? 52 ILE A CG1 1 +ATOM 414 C CG2 . ILE A 1 52 ? 15.631 22.387 34.668 1.00 22.58 ? 52 ILE A CG2 1 +ATOM 415 C CD1 . ILE A 1 52 ? 11.972 23.482 34.758 1.00 23.38 ? 52 ILE A CD1 1 +ATOM 416 N N . GLU A 1 53 ? 14.906 19.384 34.047 1.00 36.96 ? 53 GLU A N 1 +ATOM 417 C CA . GLU A 1 53 ? 15.352 18.597 32.901 1.00 38.95 ? 53 GLU A CA 1 +ATOM 418 C C . GLU A 1 53 ? 14.222 17.809 32.264 1.00 39.99 ? 53 GLU A C 1 +ATOM 419 O O . GLU A 1 53 ? 14.282 17.493 31.083 1.00 48.15 ? 53 GLU A O 1 +ATOM 420 C CB . GLU A 1 53 ? 16.472 17.635 33.293 1.00 35.63 ? 53 GLU A CB 1 +ATOM 421 C CG . GLU A 1 53 ? 17.784 18.302 33.664 1.00 43.82 ? 53 GLU A CG 1 +ATOM 422 C CD . GLU A 1 53 ? 18.904 17.302 33.925 1.00 53.25 ? 53 GLU A CD 1 +ATOM 423 O OE1 . GLU A 1 53 ? 18.618 16.170 34.380 1.00 54.68 ? 53 GLU A OE1 1 +ATOM 424 O OE2 . GLU A 1 53 ? 20.083 17.650 33.679 1.00 60.20 ? 53 GLU A OE2 1 +ATOM 425 N N . GLN A 1 54 ? 13.194 17.491 33.041 1.00 42.37 ? 54 GLN A N 1 +ATOM 426 C CA . GLN A 1 54 ? 12.070 16.742 32.506 1.00 43.57 ? 54 GLN A CA 1 +ATOM 427 C C . GLN A 1 54 ? 11.171 17.556 31.584 1.00 49.25 ? 54 GLN A C 1 +ATOM 428 O O . GLN A 1 54 ? 10.396 16.979 30.811 1.00 52.66 ? 54 GLN A O 1 +ATOM 429 N N . GLU A 1 55 ? 11.291 18.886 31.633 1.00 50.17 ? 55 GLU A N 1 +ATOM 430 C CA . GLU A 1 55 ? 10.468 19.782 30.813 1.00 46.06 ? 55 GLU A CA 1 +ATOM 431 C C . GLU A 1 55 ? 10.680 19.614 29.315 1.00 46.45 ? 55 GLU A C 1 +ATOM 432 O O . GLU A 1 55 ? 11.813 19.528 28.832 1.00 43.58 ? 55 GLU A O 1 +ATOM 433 C CB . GLU A 1 55 ? 10.681 21.242 31.220 1.00 44.75 ? 55 GLU A CB 1 +ATOM 434 C CG . GLU A 1 55 ? 10.028 21.641 32.559 1.00 48.92 ? 55 GLU A CG 1 +ATOM 435 C CD . GLU A 1 55 ? 8.511 21.808 32.484 1.00 50.67 ? 55 GLU A CD 1 +ATOM 436 O OE1 . GLU A 1 55 ? 7.977 22.001 31.371 1.00 57.20 ? 55 GLU A OE1 1 +ATOM 437 O OE2 . GLU A 1 55 ? 7.844 21.752 33.542 1.00 45.78 ? 55 GLU A OE2 1 +ATOM 438 N N . GLY A 1 56 ? 9.568 19.609 28.589 1.00 46.88 ? 56 GLY A N 1 +ATOM 439 C CA . GLY A 1 56 ? 9.604 19.432 27.151 1.00 51.13 ? 56 GLY A CA 1 +ATOM 440 C C . GLY A 1 56 ? 10.482 20.396 26.371 1.00 50.85 ? 56 GLY A C 1 +ATOM 441 O O . GLY A 1 56 ? 10.816 21.486 26.855 1.00 52.06 ? 56 GLY A O 1 +ATOM 442 N N . PRO A 1 57 ? 10.834 20.031 25.127 1.00 49.18 ? 57 PRO A N 1 +ATOM 443 C CA . PRO A 1 57 ? 11.672 20.814 24.212 1.00 44.35 ? 57 PRO A CA 1 +ATOM 444 C C . PRO A 1 57 ? 11.017 22.154 23.919 1.00 38.70 ? 57 PRO A C 1 +ATOM 445 O O . PRO A 1 57 ? 11.692 23.166 23.757 1.00 36.98 ? 57 PRO A O 1 +ATOM 446 C CB . PRO A 1 57 ? 11.713 19.939 22.962 1.00 49.11 ? 57 PRO A CB 1 +ATOM 447 C CG . PRO A 1 57 ? 11.522 18.552 23.506 1.00 52.68 ? 57 PRO A CG 1 +ATOM 448 C CD . PRO A 1 57 ? 10.421 18.768 24.496 1.00 50.32 ? 57 PRO A CD 1 +ATOM 449 N N . GLU A 1 58 ? 9.692 22.154 23.887 1.00 36.33 ? 58 GLU A N 1 +ATOM 450 C CA . GLU A 1 58 ? 8.934 23.373 23.630 1.00 42.64 ? 58 GLU A CA 1 +ATOM 451 C C . GLU A 1 58 ? 9.244 24.382 24.714 1.00 39.91 ? 58 GLU A C 1 +ATOM 452 O O . GLU A 1 58 ? 9.255 25.580 24.458 1.00 43.48 ? 58 GLU A O 1 +ATOM 453 C CB . GLU A 1 58 ? 7.435 23.095 23.651 1.00 45.02 ? 58 GLU A CB 1 +ATOM 454 C CG . GLU A 1 58 ? 6.991 21.993 22.720 1.00 60.35 ? 58 GLU A CG 1 +ATOM 455 C CD . GLU A 1 58 ? 5.971 21.093 23.372 1.00 70.00 ? 58 GLU A CD 1 +ATOM 456 O OE1 . GLU A 1 58 ? 5.069 21.620 24.071 1.00 80.76 ? 58 GLU A OE1 1 +ATOM 457 O OE2 . GLU A 1 58 ? 6.087 19.858 23.207 1.00 72.53 ? 58 GLU A OE2 1 +ATOM 458 N N . TYR A 1 59 ? 9.469 23.876 25.925 1.00 35.36 ? 59 TYR A N 1 +ATOM 459 C CA . TYR A 1 59 ? 9.782 24.700 27.078 1.00 25.10 ? 59 TYR A CA 1 +ATOM 460 C C . TYR A 1 59 ? 11.122 25.321 26.790 1.00 21.33 ? 59 TYR A C 1 +ATOM 461 O O . TYR A 1 59 ? 11.272 26.533 26.807 1.00 19.44 ? 59 TYR A O 1 +ATOM 462 C CB . TYR A 1 59 ? 9.836 23.833 28.351 1.00 27.66 ? 59 TYR A CB 1 +ATOM 463 C CG . TYR A 1 59 ? 10.236 24.565 29.618 1.00 22.66 ? 59 TYR A CG 1 +ATOM 464 C CD1 . TYR A 1 59 ? 11.578 24.723 29.950 1.00 20.27 ? 59 TYR A CD1 1 +ATOM 465 C CD2 . TYR A 1 59 ? 9.270 25.099 30.481 1.00 22.30 ? 59 TYR A CD2 1 +ATOM 466 C CE1 . TYR A 1 59 ? 11.962 25.388 31.096 1.00 27.55 ? 59 TYR A CE1 1 +ATOM 467 C CE2 . TYR A 1 59 ? 9.640 25.771 31.643 1.00 28.35 ? 59 TYR A CE2 1 +ATOM 468 C CZ . TYR A 1 59 ? 10.998 25.916 31.948 1.00 33.11 ? 59 TYR A CZ 1 +ATOM 469 O OH . TYR A 1 59 ? 11.410 26.584 33.092 1.00 30.35 ? 59 TYR A OH 1 +ATOM 470 N N . TRP A 1 60 ? 12.084 24.496 26.428 1.00 18.53 ? 60 TRP A N 1 +ATOM 471 C CA . TRP A 1 60 ? 13.396 25.038 26.154 1.00 26.41 ? 60 TRP A CA 1 +ATOM 472 C C . TRP A 1 60 ? 13.425 25.977 24.946 1.00 34.71 ? 60 TRP A C 1 +ATOM 473 O O . TRP A 1 60 ? 14.136 26.983 24.952 1.00 33.69 ? 60 TRP A O 1 +ATOM 474 C CB . TRP A 1 60 ? 14.407 23.903 26.063 1.00 30.96 ? 60 TRP A CB 1 +ATOM 475 C CG . TRP A 1 60 ? 14.394 23.085 27.319 1.00 33.16 ? 60 TRP A CG 1 +ATOM 476 C CD1 . TRP A 1 60 ? 13.908 21.825 27.482 1.00 26.08 ? 60 TRP A CD1 1 +ATOM 477 C CD2 . TRP A 1 60 ? 14.815 23.525 28.616 1.00 39.52 ? 60 TRP A CD2 1 +ATOM 478 N NE1 . TRP A 1 60 ? 13.993 21.447 28.796 1.00 36.92 ? 60 TRP A NE1 1 +ATOM 479 C CE2 . TRP A 1 60 ? 14.549 22.478 29.515 1.00 36.94 ? 60 TRP A CE2 1 +ATOM 480 C CE3 . TRP A 1 60 ? 15.391 24.706 29.102 1.00 41.12 ? 60 TRP A CE3 1 +ATOM 481 C CZ2 . TRP A 1 60 ? 14.836 22.569 30.869 1.00 35.46 ? 60 TRP A CZ2 1 +ATOM 482 C CZ3 . TRP A 1 60 ? 15.679 24.800 30.445 1.00 38.74 ? 60 TRP A CZ3 1 +ATOM 483 C CH2 . TRP A 1 60 ? 15.401 23.739 31.314 1.00 41.72 ? 60 TRP A CH2 1 +ATOM 484 N N . ASP A 1 61 ? 12.600 25.692 23.940 1.00 38.54 ? 61 ASP A N 1 +ATOM 485 C CA . ASP A 1 61 ? 12.536 26.541 22.756 1.00 35.40 ? 61 ASP A CA 1 +ATOM 486 C C . ASP A 1 61 ? 11.861 27.842 23.142 1.00 29.07 ? 61 ASP A C 1 +ATOM 487 O O . ASP A 1 61 ? 12.388 28.925 22.895 1.00 32.90 ? 61 ASP A O 1 +ATOM 488 C CB . ASP A 1 61 ? 11.756 25.865 21.616 1.00 42.39 ? 61 ASP A CB 1 +ATOM 489 C CG . ASP A 1 61 ? 12.576 24.810 20.869 1.00 46.82 ? 61 ASP A CG 1 +ATOM 490 O OD1 . ASP A 1 61 ? 13.794 24.672 21.121 1.00 57.94 ? 61 ASP A OD1 1 +ATOM 491 O OD2 . ASP A 1 61 ? 11.993 24.109 20.021 1.00 41.51 ? 61 ASP A OD2 1 +ATOM 492 N N . GLY A 1 62 ? 10.716 27.728 23.793 1.00 23.88 ? 62 GLY A N 1 +ATOM 493 C CA . GLY A 1 62 ? 9.987 28.905 24.220 1.00 22.86 ? 62 GLY A CA 1 +ATOM 494 C C . GLY A 1 62 ? 10.746 29.754 25.218 1.00 22.51 ? 62 GLY A C 1 +ATOM 495 O O . GLY A 1 62 ? 10.639 30.979 25.199 1.00 22.37 ? 62 GLY A O 1 +ATOM 496 N N . GLU A 1 63 ? 11.527 29.114 26.081 1.00 25.30 ? 63 GLU A N 1 +ATOM 497 C CA . GLU A 1 63 ? 12.281 29.847 27.088 1.00 26.05 ? 63 GLU A CA 1 +ATOM 498 C C . GLU A 1 63 ? 13.535 30.464 26.523 1.00 21.96 ? 63 GLU A C 1 +ATOM 499 O O . GLU A 1 63 ? 13.993 31.504 27.006 1.00 23.40 ? 63 GLU A O 1 +ATOM 500 C CB . GLU A 1 63 ? 12.602 28.974 28.305 1.00 28.62 ? 63 GLU A CB 1 +ATOM 501 C CG . GLU A 1 63 ? 11.369 28.614 29.138 1.00 22.01 ? 63 GLU A CG 1 +ATOM 502 C CD . GLU A 1 63 ? 10.547 29.827 29.579 1.00 29.44 ? 63 GLU A CD 1 +ATOM 503 O OE1 . GLU A 1 63 ? 10.957 30.483 30.554 1.00 24.58 ? 63 GLU A OE1 1 +ATOM 504 O OE2 . GLU A 1 63 ? 9.474 30.108 28.983 1.00 23.29 ? 63 GLU A OE2 1 +ATOM 505 N N . THR A 1 64 ? 14.098 29.826 25.506 1.00 21.53 ? 64 THR A N 1 +ATOM 506 C CA . THR A 1 64 ? 15.289 30.368 24.862 1.00 21.34 ? 64 THR A CA 1 +ATOM 507 C C . THR A 1 64 ? 14.915 31.671 24.155 1.00 19.70 ? 64 THR A C 1 +ATOM 508 O O . THR A 1 64 ? 15.631 32.667 24.242 1.00 22.87 ? 64 THR A O 1 +ATOM 509 C CB . THR A 1 64 ? 15.881 29.394 23.840 1.00 19.96 ? 64 THR A CB 1 +ATOM 510 O OG1 . THR A 1 64 ? 16.267 28.174 24.505 1.00 23.07 ? 64 THR A OG1 1 +ATOM 511 C CG2 . THR A 1 64 ? 17.116 30.029 23.171 1.00 13.96 ? 64 THR A CG2 1 +ATOM 512 N N . ARG A 1 65 ? 13.754 31.674 23.516 1.00 14.98 ? 65 ARG A N 1 +ATOM 513 C CA . ARG A 1 65 ? 13.282 32.850 22.811 1.00 16.54 ? 65 ARG A CA 1 +ATOM 514 C C . ARG A 1 65 ? 13.127 34.008 23.784 1.00 16.98 ? 65 ARG A C 1 +ATOM 515 O O . ARG A 1 65 ? 13.874 34.980 23.720 1.00 23.66 ? 65 ARG A O 1 +ATOM 516 C CB . ARG A 1 65 ? 11.951 32.526 22.132 1.00 28.08 ? 65 ARG A CB 1 +ATOM 517 C CG . ARG A 1 65 ? 11.281 33.682 21.384 1.00 22.73 ? 65 ARG A CG 1 +ATOM 518 C CD . ARG A 1 65 ? 10.341 33.106 20.381 1.00 16.69 ? 65 ARG A CD 1 +ATOM 519 N NE . ARG A 1 65 ? 9.604 31.961 20.920 1.00 16.16 ? 65 ARG A NE 1 +ATOM 520 C CZ . ARG A 1 65 ? 8.528 32.104 21.661 1.00 17.44 ? 65 ARG A CZ 1 +ATOM 521 N NH1 . ARG A 1 65 ? 8.122 33.327 21.923 1.00 23.56 ? 65 ARG A NH1 1 +ATOM 522 N NH2 . ARG A 1 65 ? 7.825 31.063 22.071 1.00 20.58 ? 65 ARG A NH2 1 +ATOM 523 N N . LYS A 1 66 ? 12.174 33.879 24.703 1.00 18.19 ? 66 LYS A N 1 +ATOM 524 C CA . LYS A 1 66 ? 11.920 34.891 25.723 1.00 15.38 ? 66 LYS A CA 1 +ATOM 525 C C . LYS A 1 66 ? 13.201 35.389 26.432 1.00 17.89 ? 66 LYS A C 1 +ATOM 526 O O . LYS A 1 66 ? 13.379 36.607 26.635 1.00 22.26 ? 66 LYS A O 1 +ATOM 527 C CB . LYS A 1 66 ? 10.984 34.340 26.783 1.00 12.10 ? 66 LYS A CB 1 +ATOM 528 C CG . LYS A 1 66 ? 9.591 33.921 26.348 1.00 7.79 ? 66 LYS A CG 1 +ATOM 529 C CD . LYS A 1 66 ? 8.763 33.957 27.641 1.00 24.23 ? 66 LYS A CD 1 +ATOM 530 C CE . LYS A 1 66 ? 7.687 32.906 27.745 1.00 26.63 ? 66 LYS A CE 1 +ATOM 531 N NZ . LYS A 1 66 ? 7.767 32.279 29.097 1.00 21.90 ? 66 LYS A NZ 1 +ATOM 532 N N . VAL A 1 67 ? 14.075 34.477 26.855 1.00 15.77 ? 67 VAL A N 1 +ATOM 533 C CA . VAL A 1 67 ? 15.303 34.918 27.514 1.00 17.85 ? 67 VAL A CA 1 +ATOM 534 C C . VAL A 1 67 ? 16.119 35.778 26.541 1.00 18.50 ? 67 VAL A C 1 +ATOM 535 O O . VAL A 1 67 ? 16.607 36.848 26.922 1.00 18.90 ? 67 VAL A O 1 +ATOM 536 C CB . VAL A 1 67 ? 16.156 33.742 28.075 1.00 13.00 ? 67 VAL A CB 1 +ATOM 537 C CG1 . VAL A 1 67 ? 17.053 33.170 27.007 1.00 12.53 ? 67 VAL A CG1 1 +ATOM 538 C CG2 . VAL A 1 67 ? 16.998 34.219 29.266 1.00 11.70 ? 67 VAL A CG2 1 +ATOM 539 N N . LYS A 1 68 ? 16.208 35.352 25.276 1.00 19.05 ? 68 LYS A N 1 +ATOM 540 C CA . LYS A 1 68 ? 16.947 36.120 24.283 1.00 15.09 ? 68 LYS A CA 1 +ATOM 541 C C . LYS A 1 68 ? 16.263 37.490 24.133 1.00 14.68 ? 68 LYS A C 1 +ATOM 542 O O . LYS A 1 68 ? 16.940 38.510 23.956 1.00 17.18 ? 68 LYS A O 1 +ATOM 543 C CB . LYS A 1 68 ? 17.095 35.349 22.963 1.00 15.36 ? 68 LYS A CB 1 +ATOM 544 C CG . LYS A 1 68 ? 18.549 34.853 22.696 1.00 20.61 ? 68 LYS A CG 1 +ATOM 545 C CD . LYS A 1 68 ? 18.620 33.488 21.975 1.00 23.59 ? 68 LYS A CD 1 +ATOM 546 C CE . LYS A 1 68 ? 18.071 33.556 20.552 1.00 35.31 ? 68 LYS A CE 1 +ATOM 547 N NZ . LYS A 1 68 ? 17.994 32.224 19.865 1.00 40.15 ? 68 LYS A NZ 1 +ATOM 548 N N . ALA A 1 69 ? 14.941 37.531 24.312 1.00 12.73 ? 69 ALA A N 1 +ATOM 549 C CA . ALA A 1 69 ? 14.195 38.795 24.272 1.00 10.25 ? 69 ALA A CA 1 +ATOM 550 C C . ALA A 1 69 ? 14.725 39.670 25.389 1.00 18.46 ? 69 ALA A C 1 +ATOM 551 O O . ALA A 1 69 ? 14.998 40.857 25.182 1.00 22.68 ? 69 ALA A O 1 +ATOM 552 C CB . ALA A 1 69 ? 12.722 38.563 24.484 1.00 8.79 ? 69 ALA A CB 1 +ATOM 553 N N . HIS A 1 70 ? 14.900 39.070 26.573 1.00 21.69 ? 70 HIS A N 1 +ATOM 554 C CA . HIS A 1 70 ? 15.423 39.789 27.745 1.00 18.52 ? 70 HIS A CA 1 +ATOM 555 C C . HIS A 1 70 ? 16.806 40.360 27.431 1.00 17.27 ? 70 HIS A C 1 +ATOM 556 O O . HIS A 1 70 ? 17.145 41.482 27.834 1.00 19.29 ? 70 HIS A O 1 +ATOM 557 C CB . HIS A 1 70 ? 15.489 38.868 28.980 1.00 14.35 ? 70 HIS A CB 1 +ATOM 558 C CG . HIS A 1 70 ? 14.182 38.724 29.704 1.00 12.05 ? 70 HIS A CG 1 +ATOM 559 N ND1 . HIS A 1 70 ? 13.157 37.917 29.251 1.00 21.77 ? 70 HIS A ND1 1 +ATOM 560 C CD2 . HIS A 1 70 ? 13.720 39.299 30.838 1.00 15.77 ? 70 HIS A CD2 1 +ATOM 561 C CE1 . HIS A 1 70 ? 12.125 38.003 30.072 1.00 12.38 ? 70 HIS A CE1 1 +ATOM 562 N NE2 . HIS A 1 70 ? 12.440 38.837 31.044 1.00 15.69 ? 70 HIS A NE2 1 +ATOM 563 N N . SER A 1 71 ? 17.592 39.595 26.690 1.00 21.26 ? 71 SER A N 1 +ATOM 564 C CA . SER A 1 71 ? 18.943 40.000 26.296 1.00 24.67 ? 71 SER A CA 1 +ATOM 565 C C . SER A 1 71 ? 18.910 41.245 25.424 1.00 26.22 ? 71 SER A C 1 +ATOM 566 O O . SER A 1 71 ? 19.547 42.260 25.745 1.00 27.79 ? 71 SER A O 1 +ATOM 567 C CB . SER A 1 71 ? 19.624 38.859 25.526 1.00 24.84 ? 71 SER A CB 1 +ATOM 568 O OG . SER A 1 71 ? 20.997 39.115 25.288 1.00 32.90 ? 71 SER A OG 1 +ATOM 569 N N . GLN A 1 72 ? 18.127 41.173 24.346 1.00 28.07 ? 72 GLN A N 1 +ATOM 570 C CA . GLN A 1 72 ? 18.005 42.267 23.393 1.00 27.23 ? 72 GLN A CA 1 +ATOM 571 C C . GLN A 1 72 ? 17.495 43.523 24.076 1.00 24.04 ? 72 GLN A C 1 +ATOM 572 O O . GLN A 1 72 ? 17.933 44.636 23.760 1.00 28.12 ? 72 GLN A O 1 +ATOM 573 C CB . GLN A 1 72 ? 17.064 41.881 22.242 1.00 32.27 ? 72 GLN A CB 1 +ATOM 574 C CG . GLN A 1 72 ? 17.073 42.880 21.071 1.00 41.72 ? 72 GLN A CG 1 +ATOM 575 C CD . GLN A 1 72 ? 18.372 42.833 20.260 1.00 46.90 ? 72 GLN A CD 1 +ATOM 576 O OE1 . GLN A 1 72 ? 18.670 41.830 19.596 1.00 45.94 ? 72 GLN A OE1 1 +ATOM 577 N NE2 . GLN A 1 72 ? 19.154 43.909 20.324 1.00 41.45 ? 72 GLN A NE2 1 +ATOM 578 N N . THR A 1 73 ? 16.538 43.354 24.978 1.00 19.78 ? 73 THR A N 1 +ATOM 579 C CA . THR A 1 73 ? 15.991 44.490 25.702 1.00 20.69 ? 73 THR A CA 1 +ATOM 580 C C . THR A 1 73 ? 17.073 45.225 26.508 1.00 22.64 ? 73 THR A C 1 +ATOM 581 O O . THR A 1 73 ? 17.154 46.457 26.493 1.00 25.09 ? 73 THR A O 1 +ATOM 582 C CB . THR A 1 73 ? 14.859 44.053 26.626 1.00 21.16 ? 73 THR A CB 1 +ATOM 583 O OG1 . THR A 1 73 ? 13.894 43.282 25.877 1.00 16.82 ? 73 THR A OG1 1 +ATOM 584 C CG2 . THR A 1 73 ? 14.195 45.277 27.240 1.00 11.29 ? 73 THR A CG2 1 +ATOM 585 N N . HIS A 1 74 ? 17.963 44.477 27.143 1.00 20.82 ? 74 HIS A N 1 +ATOM 586 C CA . HIS A 1 74 ? 19.008 45.115 27.924 1.00 23.93 ? 74 HIS A CA 1 +ATOM 587 C C . HIS A 1 74 ? 20.072 45.766 27.061 1.00 25.19 ? 74 HIS A C 1 +ATOM 588 O O . HIS A 1 74 ? 20.570 46.839 27.390 1.00 28.30 ? 74 HIS A O 1 +ATOM 589 C CB . HIS A 1 74 ? 19.614 44.131 28.920 1.00 26.24 ? 74 HIS A CB 1 +ATOM 590 C CG . HIS A 1 74 ? 18.662 43.723 29.999 1.00 25.50 ? 74 HIS A CG 1 +ATOM 591 N ND1 . HIS A 1 74 ? 17.338 43.432 29.754 1.00 30.18 ? 74 HIS A ND1 1 +ATOM 592 C CD2 . HIS A 1 74 ? 18.826 43.613 31.337 1.00 24.39 ? 74 HIS A CD2 1 +ATOM 593 C CE1 . HIS A 1 74 ? 16.725 43.169 30.893 1.00 26.56 ? 74 HIS A CE1 1 +ATOM 594 N NE2 . HIS A 1 74 ? 17.608 43.272 31.868 1.00 27.69 ? 74 HIS A NE2 1 +ATOM 595 N N . ARG A 1 75 ? 20.402 45.126 25.943 1.00 32.24 ? 75 ARG A N 1 +ATOM 596 C CA . ARG A 1 75 ? 21.398 45.655 25.009 1.00 30.52 ? 75 ARG A CA 1 +ATOM 597 C C . ARG A 1 75 ? 20.982 47.058 24.580 1.00 28.24 ? 75 ARG A C 1 +ATOM 598 O O . ARG A 1 75 ? 21.793 47.973 24.460 1.00 29.01 ? 75 ARG A O 1 +ATOM 599 C CB . ARG A 1 75 ? 21.469 44.758 23.780 1.00 32.77 ? 75 ARG A CB 1 +ATOM 600 C CG . ARG A 1 75 ? 22.364 45.289 22.709 1.00 48.52 ? 75 ARG A CG 1 +ATOM 601 C CD . ARG A 1 75 ? 22.072 44.646 21.388 1.00 61.14 ? 75 ARG A CD 1 +ATOM 602 N NE . ARG A 1 75 ? 22.684 45.406 20.308 1.00 79.30 ? 75 ARG A NE 1 +ATOM 603 C CZ . ARG A 1 75 ? 22.834 44.947 19.074 1.00 92.75 ? 75 ARG A CZ 1 +ATOM 604 N NH1 . ARG A 1 75 ? 22.413 43.723 18.768 1.00 99.99 ? 75 ARG A NH1 1 +ATOM 605 N NH2 . ARG A 1 75 ? 23.440 45.693 18.156 1.00 98.59 ? 75 ARG A NH2 1 +ATOM 606 N N . VAL A 1 76 ? 19.694 47.205 24.346 1.00 25.90 ? 76 VAL A N 1 +ATOM 607 C CA . VAL A 1 76 ? 19.142 48.470 23.941 1.00 27.99 ? 76 VAL A CA 1 +ATOM 608 C C . VAL A 1 76 ? 19.206 49.420 25.133 1.00 30.68 ? 76 VAL A C 1 +ATOM 609 O O . VAL A 1 76 ? 19.674 50.552 25.011 1.00 30.19 ? 76 VAL A O 1 +ATOM 610 C CB . VAL A 1 76 ? 17.686 48.261 23.479 1.00 29.05 ? 76 VAL A CB 1 +ATOM 611 C CG1 . VAL A 1 76 ? 16.970 49.584 23.292 1.00 27.83 ? 76 VAL A CG1 1 +ATOM 612 C CG2 . VAL A 1 76 ? 17.672 47.460 22.195 1.00 28.82 ? 76 VAL A CG2 1 +ATOM 613 N N . ASP A 1 77 ? 18.781 48.934 26.299 1.00 33.44 ? 77 ASP A N 1 +ATOM 614 C CA . ASP A 1 77 ? 18.768 49.748 27.513 1.00 27.08 ? 77 ASP A CA 1 +ATOM 615 C C . ASP A 1 77 ? 20.111 50.343 27.874 1.00 24.83 ? 77 ASP A C 1 +ATOM 616 O O . ASP A 1 77 ? 20.190 51.515 28.209 1.00 29.79 ? 77 ASP A O 1 +ATOM 617 C CB . ASP A 1 77 ? 18.200 48.964 28.694 1.00 28.35 ? 77 ASP A CB 1 +ATOM 618 C CG . ASP A 1 77 ? 16.714 48.657 28.534 1.00 35.33 ? 77 ASP A CG 1 +ATOM 619 O OD1 . ASP A 1 77 ? 16.088 49.195 27.596 1.00 33.79 ? 77 ASP A OD1 1 +ATOM 620 O OD2 . ASP A 1 77 ? 16.165 47.875 29.344 1.00 35.21 ? 77 ASP A OD2 1 +ATOM 621 N N . LEU A 1 78 ? 21.181 49.575 27.752 1.00 21.93 ? 78 LEU A N 1 +ATOM 622 C CA . LEU A 1 78 ? 22.489 50.105 28.102 1.00 24.87 ? 78 LEU A CA 1 +ATOM 623 C C . LEU A 1 78 ? 22.751 51.443 27.431 1.00 29.44 ? 78 LEU A C 1 +ATOM 624 O O . LEU A 1 78 ? 23.053 52.430 28.108 1.00 35.57 ? 78 LEU A O 1 +ATOM 625 C CB . LEU A 1 78 ? 23.579 49.091 27.782 1.00 24.41 ? 78 LEU A CB 1 +ATOM 626 C CG . LEU A 1 78 ? 23.640 47.933 28.788 1.00 26.71 ? 78 LEU A CG 1 +ATOM 627 C CD1 . LEU A 1 78 ? 24.409 46.745 28.240 1.00 28.79 ? 78 LEU A CD1 1 +ATOM 628 C CD2 . LEU A 1 78 ? 24.286 48.426 30.045 1.00 20.26 ? 78 LEU A CD2 1 +ATOM 629 N N . GLY A 1 79 ? 22.524 51.495 26.119 1.00 32.00 ? 79 GLY A N 1 +ATOM 630 C CA . GLY A 1 79 ? 22.748 52.713 25.349 1.00 27.69 ? 79 GLY A CA 1 +ATOM 631 C C . GLY A 1 79 ? 21.716 53.784 25.636 1.00 26.53 ? 79 GLY A C 1 +ATOM 632 O O . GLY A 1 79 ? 22.039 54.970 25.739 1.00 22.16 ? 79 GLY A O 1 +ATOM 633 N N . THR A 1 80 ? 20.462 53.361 25.741 1.00 28.52 ? 80 THR A N 1 +ATOM 634 C CA . THR A 1 80 ? 19.357 54.265 26.045 1.00 28.06 ? 80 THR A CA 1 +ATOM 635 C C . THR A 1 80 ? 19.735 55.066 27.301 1.00 34.04 ? 80 THR A C 1 +ATOM 636 O O . THR A 1 80 ? 19.687 56.302 27.308 1.00 38.38 ? 80 THR A O 1 +ATOM 637 C CB . THR A 1 80 ? 18.062 53.461 26.319 1.00 24.43 ? 80 THR A CB 1 +ATOM 638 O OG1 . THR A 1 80 ? 17.837 52.518 25.260 1.00 18.79 ? 80 THR A OG1 1 +ATOM 639 C CG2 . THR A 1 80 ? 16.865 54.383 26.445 1.00 29.02 ? 80 THR A CG2 1 +ATOM 640 N N . LEU A 1 81 ? 20.190 54.344 28.328 1.00 36.96 ? 81 LEU A N 1 +ATOM 641 C CA . LEU A 1 81 ? 20.601 54.923 29.599 1.00 31.70 ? 81 LEU A CA 1 +ATOM 642 C C . LEU A 1 81 ? 21.889 55.737 29.456 1.00 32.20 ? 81 LEU A C 1 +ATOM 643 O O . LEU A 1 81 ? 22.031 56.794 30.075 1.00 35.31 ? 81 LEU A O 1 +ATOM 644 C CB . LEU A 1 81 ? 20.763 53.824 30.652 1.00 24.14 ? 81 LEU A CB 1 +ATOM 645 C CG . LEU A 1 81 ? 19.483 53.083 31.042 1.00 20.25 ? 81 LEU A CG 1 +ATOM 646 C CD1 . LEU A 1 81 ? 19.823 51.833 31.800 1.00 19.92 ? 81 LEU A CD1 1 +ATOM 647 C CD2 . LEU A 1 81 ? 18.576 53.967 31.857 1.00 23.39 ? 81 LEU A CD2 1 +ATOM 648 N N . ARG A 1 82 ? 22.823 55.277 28.635 1.00 30.92 ? 82 ARG A N 1 +ATOM 649 C CA . ARG A 1 82 ? 24.047 56.044 28.458 1.00 31.32 ? 82 ARG A CA 1 +ATOM 650 C C . ARG A 1 82 ? 23.633 57.425 28.016 1.00 30.63 ? 82 ARG A C 1 +ATOM 651 O O . ARG A 1 82 ? 24.246 58.411 28.402 1.00 35.90 ? 82 ARG A O 1 +ATOM 652 C CB . ARG A 1 82 ? 24.956 55.435 27.398 1.00 37.40 ? 82 ARG A CB 1 +ATOM 653 C CG . ARG A 1 82 ? 26.180 56.298 27.099 1.00 51.62 ? 82 ARG A CG 1 +ATOM 654 C CD . ARG A 1 82 ? 26.798 55.974 25.741 1.00 67.62 ? 82 ARG A CD 1 +ATOM 655 N NE . ARG A 1 82 ? 25.829 56.125 24.655 1.00 82.20 ? 82 ARG A NE 1 +ATOM 656 C CZ . ARG A 1 82 ? 26.133 56.157 23.360 1.00 84.29 ? 82 ARG A CZ 1 +ATOM 657 N NH1 . ARG A 1 82 ? 27.392 56.053 22.958 1.00 83.04 ? 82 ARG A NH1 1 +ATOM 658 N NH2 . ARG A 1 82 ? 25.167 56.278 22.463 1.00 86.57 ? 82 ARG A NH2 1 +ATOM 659 N N . GLY A 1 83 ? 22.576 57.484 27.213 1.00 28.66 ? 83 GLY A N 1 +ATOM 660 C CA . GLY A 1 83 ? 22.075 58.754 26.735 1.00 31.18 ? 83 GLY A CA 1 +ATOM 661 C C . GLY A 1 83 ? 21.418 59.567 27.837 1.00 38.59 ? 83 GLY A C 1 +ATOM 662 O O . GLY A 1 83 ? 21.687 60.760 27.971 1.00 43.34 ? 83 GLY A O 1 +ATOM 663 N N . TYR A 1 84 ? 20.551 58.924 28.622 1.00 39.15 ? 84 TYR A N 1 +ATOM 664 C CA . TYR A 1 84 ? 19.829 59.565 29.725 1.00 30.73 ? 84 TYR A CA 1 +ATOM 665 C C . TYR A 1 84 ? 20.726 60.314 30.708 1.00 31.99 ? 84 TYR A C 1 +ATOM 666 O O . TYR A 1 84 ? 20.345 61.358 31.252 1.00 27.40 ? 84 TYR A O 1 +ATOM 667 C CB . TYR A 1 84 ? 19.045 58.510 30.495 1.00 29.83 ? 84 TYR A CB 1 +ATOM 668 C CG . TYR A 1 84 ? 17.798 58.008 29.818 1.00 26.97 ? 84 TYR A CG 1 +ATOM 669 C CD1 . TYR A 1 84 ? 17.144 58.768 28.862 1.00 27.52 ? 84 TYR A CD1 1 +ATOM 670 C CD2 . TYR A 1 84 ? 17.230 56.790 30.190 1.00 31.93 ? 84 TYR A CD2 1 +ATOM 671 C CE1 . TYR A 1 84 ? 15.952 58.332 28.296 1.00 30.26 ? 84 TYR A CE1 1 +ATOM 672 C CE2 . TYR A 1 84 ? 16.039 56.345 29.633 1.00 28.99 ? 84 TYR A CE2 1 +ATOM 673 C CZ . TYR A 1 84 ? 15.406 57.122 28.686 1.00 27.06 ? 84 TYR A CZ 1 +ATOM 674 O OH . TYR A 1 84 ? 14.226 56.696 28.130 1.00 29.85 ? 84 TYR A OH 1 +ATOM 675 N N . TYR A 1 85 ? 21.877 59.721 31.002 1.00 33.93 ? 85 TYR A N 1 +ATOM 676 C CA . TYR A 1 85 ? 22.845 60.306 31.928 1.00 36.68 ? 85 TYR A CA 1 +ATOM 677 C C . TYR A 1 85 ? 23.963 61.036 31.206 1.00 42.09 ? 85 TYR A C 1 +ATOM 678 O O . TYR A 1 85 ? 24.761 61.736 31.839 1.00 45.90 ? 85 TYR A O 1 +ATOM 679 C CB . TYR A 1 85 ? 23.445 59.223 32.829 1.00 27.02 ? 85 TYR A CB 1 +ATOM 680 C CG . TYR A 1 85 ? 22.417 58.617 33.705 1.00 17.04 ? 85 TYR A CG 1 +ATOM 681 C CD1 . TYR A 1 85 ? 22.004 59.273 34.851 1.00 17.34 ? 85 TYR A CD1 1 +ATOM 682 C CD2 . TYR A 1 85 ? 21.796 57.429 33.357 1.00 18.27 ? 85 TYR A CD2 1 +ATOM 683 C CE1 . TYR A 1 85 ? 20.992 58.780 35.632 1.00 20.89 ? 85 TYR A CE1 1 +ATOM 684 C CE2 . TYR A 1 85 ? 20.779 56.913 34.133 1.00 25.18 ? 85 TYR A CE2 1 +ATOM 685 C CZ . TYR A 1 85 ? 20.378 57.602 35.275 1.00 25.77 ? 85 TYR A CZ 1 +ATOM 686 O OH . TYR A 1 85 ? 19.348 57.131 36.061 1.00 37.50 ? 85 TYR A OH 1 +ATOM 687 N N . ASN A 1 86 ? 24.039 60.833 29.892 1.00 42.89 ? 86 ASN A N 1 +ATOM 688 C CA . ASN A 1 86 ? 25.049 61.472 29.069 1.00 41.37 ? 86 ASN A CA 1 +ATOM 689 C C . ASN A 1 86 ? 26.441 60.970 29.428 1.00 38.87 ? 86 ASN A C 1 +ATOM 690 O O . ASN A 1 86 ? 27.350 61.750 29.695 1.00 38.35 ? 86 ASN A O 1 +ATOM 691 C CB . ASN A 1 86 ? 24.966 62.980 29.260 1.00 49.53 ? 86 ASN A CB 1 +ATOM 692 C CG . ASN A 1 86 ? 25.479 63.736 28.075 1.00 61.28 ? 86 ASN A CG 1 +ATOM 693 O OD1 . ASN A 1 86 ? 24.729 64.491 27.460 1.00 71.06 ? 86 ASN A OD1 1 +ATOM 694 N ND2 . ASN A 1 86 ? 26.757 63.552 27.736 1.00 61.40 ? 86 ASN A ND2 1 +ATOM 695 N N . GLN A 1 87 ? 26.608 59.658 29.408 1.00 38.84 ? 87 GLN A N 1 +ATOM 696 C CA . GLN A 1 87 ? 27.882 59.053 29.756 1.00 42.63 ? 87 GLN A CA 1 +ATOM 697 C C . GLN A 1 87 ? 28.673 58.715 28.497 1.00 46.07 ? 87 GLN A C 1 +ATOM 698 O O . GLN A 1 87 ? 28.139 58.788 27.393 1.00 52.76 ? 87 GLN A O 1 +ATOM 699 C CB . GLN A 1 87 ? 27.622 57.831 30.639 1.00 39.68 ? 87 GLN A CB 1 +ATOM 700 C CG . GLN A 1 87 ? 26.617 58.167 31.740 1.00 44.42 ? 87 GLN A CG 1 +ATOM 701 C CD . GLN A 1 87 ? 26.571 57.173 32.870 1.00 47.96 ? 87 GLN A CD 1 +ATOM 702 O OE1 . GLN A 1 87 ? 27.452 57.150 33.729 1.00 52.31 ? 87 GLN A OE1 1 +ATOM 703 N NE2 . GLN A 1 87 ? 25.515 56.373 32.909 1.00 45.77 ? 87 GLN A NE2 1 +ATOM 704 N N . SER A 1 88 ? 29.938 58.352 28.654 1.00 49.44 ? 88 SER A N 1 +ATOM 705 C CA . SER A 1 88 ? 30.771 58.047 27.499 1.00 54.27 ? 88 SER A CA 1 +ATOM 706 C C . SER A 1 88 ? 30.431 56.755 26.803 1.00 54.61 ? 88 SER A C 1 +ATOM 707 O O . SER A 1 88 ? 29.867 55.843 27.400 1.00 58.10 ? 88 SER A O 1 +ATOM 708 C CB . SER A 1 88 ? 32.246 57.992 27.888 1.00 60.95 ? 88 SER A CB 1 +ATOM 709 O OG . SER A 1 88 ? 33.079 57.736 26.760 1.00 68.18 ? 88 SER A OG 1 +ATOM 710 N N . GLU A 1 89 ? 30.855 56.669 25.549 1.00 56.67 ? 89 GLU A N 1 +ATOM 711 C CA . GLU A 1 89 ? 30.655 55.473 24.737 1.00 60.49 ? 89 GLU A CA 1 +ATOM 712 C C . GLU A 1 89 ? 31.624 54.404 25.242 1.00 54.91 ? 89 GLU A C 1 +ATOM 713 O O . GLU A 1 89 ? 31.313 53.218 25.229 1.00 54.72 ? 89 GLU A O 1 +ATOM 714 C CB . GLU A 1 89 ? 31.000 55.739 23.256 1.00 71.92 ? 89 GLU A CB 1 +ATOM 715 C CG . GLU A 1 89 ? 30.023 56.567 22.413 1.00 82.42 ? 89 GLU A CG 1 +ATOM 716 C CD . GLU A 1 89 ? 30.101 58.072 22.650 1.00 92.71 ? 89 GLU A CD 1 +ATOM 717 O OE1 . GLU A 1 89 ? 31.227 58.615 22.781 1.00 97.04 ? 89 GLU A OE1 1 +ATOM 718 O OE2 . GLU A 1 89 ? 29.027 58.719 22.674 1.00 96.43 ? 89 GLU A OE2 1 +ATOM 719 N N . ALA A 1 90 ? 32.795 54.848 25.692 1.00 51.44 ? 90 ALA A N 1 +ATOM 720 C CA . ALA A 1 90 ? 33.863 53.963 26.151 1.00 50.03 ? 90 ALA A CA 1 +ATOM 721 C C . ALA A 1 90 ? 33.677 53.251 27.495 1.00 48.93 ? 90 ALA A C 1 +ATOM 722 O O . ALA A 1 90 ? 34.362 52.261 27.781 1.00 54.11 ? 90 ALA A O 1 +ATOM 723 C CB . ALA A 1 90 ? 35.188 54.725 26.142 1.00 42.70 ? 90 ALA A CB 1 +ATOM 724 N N . GLY A 1 91 ? 32.750 53.726 28.314 1.00 45.45 ? 91 GLY A N 1 +ATOM 725 C CA . GLY A 1 91 ? 32.572 53.114 29.612 1.00 44.78 ? 91 GLY A CA 1 +ATOM 726 C C . GLY A 1 91 ? 31.707 51.879 29.738 1.00 42.13 ? 91 GLY A C 1 +ATOM 727 O O . GLY A 1 91 ? 30.609 51.818 29.178 1.00 44.09 ? 91 GLY A O 1 +ATOM 728 N N . SER A 1 92 ? 32.187 50.911 30.518 1.00 39.21 ? 92 SER A N 1 +ATOM 729 C CA . SER A 1 92 ? 31.441 49.691 30.787 1.00 32.45 ? 92 SER A CA 1 +ATOM 730 C C . SER A 1 92 ? 30.486 50.065 31.895 1.00 29.63 ? 92 SER A C 1 +ATOM 731 O O . SER A 1 92 ? 30.859 50.743 32.856 1.00 31.60 ? 92 SER A O 1 +ATOM 732 C CB . SER A 1 92 ? 32.349 48.566 31.260 1.00 28.84 ? 92 SER A CB 1 +ATOM 733 O OG . SER A 1 92 ? 31.627 47.355 31.372 1.00 34.16 ? 92 SER A OG 1 +ATOM 734 N N . HIS A 1 93 ? 29.228 49.713 31.697 1.00 27.90 ? 93 HIS A N 1 +ATOM 735 C CA . HIS A 1 93 ? 28.189 50.005 32.663 1.00 27.54 ? 93 HIS A CA 1 +ATOM 736 C C . HIS A 1 93 ? 27.381 48.741 32.817 1.00 29.88 ? 93 HIS A C 1 +ATOM 737 O O . HIS A 1 93 ? 27.496 47.821 31.990 1.00 34.57 ? 93 HIS A O 1 +ATOM 738 C CB . HIS A 1 93 ? 27.312 51.169 32.204 1.00 29.74 ? 93 HIS A CB 1 +ATOM 739 C CG . HIS A 1 93 ? 28.038 52.479 32.149 1.00 35.45 ? 93 HIS A CG 1 +ATOM 740 N ND1 . HIS A 1 93 ? 28.875 52.827 31.111 1.00 33.59 ? 93 HIS A ND1 1 +ATOM 741 C CD2 . HIS A 1 93 ? 28.065 53.520 33.015 1.00 37.19 ? 93 HIS A CD2 1 +ATOM 742 C CE1 . HIS A 1 93 ? 29.385 54.025 31.337 1.00 38.73 ? 93 HIS A CE1 1 +ATOM 743 N NE2 . HIS A 1 93 ? 28.910 54.467 32.485 1.00 40.78 ? 93 HIS A NE2 1 +ATOM 744 N N . THR A 1 94 ? 26.578 48.697 33.875 1.00 26.91 ? 94 THR A N 1 +ATOM 745 C CA . THR A 1 94 ? 25.780 47.529 34.194 1.00 21.75 ? 94 THR A CA 1 +ATOM 746 C C . THR A 1 94 ? 24.323 47.874 34.303 1.00 20.17 ? 94 THR A C 1 +ATOM 747 O O . THR A 1 94 ? 23.963 48.982 34.687 1.00 22.42 ? 94 THR A O 1 +ATOM 748 C CB . THR A 1 94 ? 26.220 46.929 35.550 1.00 23.17 ? 94 THR A CB 1 +ATOM 749 O OG1 . THR A 1 94 ? 27.651 46.797 35.583 1.00 18.84 ? 94 THR A OG1 1 +ATOM 750 C CG2 . THR A 1 94 ? 25.573 45.564 35.774 1.00 20.31 ? 94 THR A CG2 1 +ATOM 751 N N . VAL A 1 95 ? 23.493 46.898 33.980 1.00 19.83 ? 95 VAL A N 1 +ATOM 752 C CA . VAL A 1 95 ? 22.040 47.018 34.046 1.00 25.53 ? 95 VAL A CA 1 +ATOM 753 C C . VAL A 1 95 ? 21.658 45.723 34.749 1.00 22.61 ? 95 VAL A C 1 +ATOM 754 O O . VAL A 1 95 ? 22.242 44.681 34.458 1.00 24.73 ? 95 VAL A O 1 +ATOM 755 C CB . VAL A 1 95 ? 21.398 47.072 32.597 1.00 27.69 ? 95 VAL A CB 1 +ATOM 756 C CG1 . VAL A 1 95 ? 19.985 46.556 32.611 1.00 27.72 ? 95 VAL A CG1 1 +ATOM 757 C CG2 . VAL A 1 95 ? 21.388 48.504 32.062 1.00 24.71 ? 95 VAL A CG2 1 +ATOM 758 N N . GLN A 1 96 ? 20.727 45.776 35.695 1.00 21.22 ? 96 GLN A N 1 +ATOM 759 C CA . GLN A 1 96 ? 20.335 44.558 36.401 1.00 21.70 ? 96 GLN A CA 1 +ATOM 760 C C . GLN A 1 96 ? 18.860 44.541 36.612 1.00 20.47 ? 96 GLN A C 1 +ATOM 761 O O . GLN A 1 96 ? 18.275 45.572 36.916 1.00 21.74 ? 96 GLN A O 1 +ATOM 762 C CB . GLN A 1 96 ? 21.045 44.448 37.745 1.00 27.10 ? 96 GLN A CB 1 +ATOM 763 C CG . GLN A 1 96 ? 22.535 44.341 37.588 1.00 30.99 ? 96 GLN A CG 1 +ATOM 764 C CD . GLN A 1 96 ? 23.280 44.688 38.838 1.00 32.88 ? 96 GLN A CD 1 +ATOM 765 O OE1 . GLN A 1 96 ? 23.806 45.806 38.980 1.00 33.79 ? 96 GLN A OE1 1 +ATOM 766 N NE2 . GLN A 1 96 ? 23.369 43.726 39.748 1.00 29.30 ? 96 GLN A NE2 1 +ATOM 767 N N . ARG A 1 97 ? 18.261 43.368 36.426 1.00 19.88 ? 97 ARG A N 1 +ATOM 768 C CA . ARG A 1 97 ? 16.829 43.196 36.585 1.00 20.62 ? 97 ARG A CA 1 +ATOM 769 C C . ARG A 1 97 ? 16.557 41.956 37.438 1.00 21.54 ? 97 ARG A C 1 +ATOM 770 O O . ARG A 1 97 ? 17.241 40.940 37.333 1.00 22.72 ? 97 ARG A O 1 +ATOM 771 C CB . ARG A 1 97 ? 16.156 43.049 35.212 1.00 24.00 ? 97 ARG A CB 1 +ATOM 772 C CG . ARG A 1 97 ? 14.618 42.973 35.226 1.00 25.82 ? 97 ARG A CG 1 +ATOM 773 C CD . ARG A 1 97 ? 14.067 42.567 33.852 1.00 33.30 ? 97 ARG A CD 1 +ATOM 774 N NE . ARG A 1 97 ? 14.354 43.559 32.807 1.00 41.60 ? 97 ARG A NE 1 +ATOM 775 C CZ . ARG A 1 97 ? 13.431 44.128 32.035 1.00 40.15 ? 97 ARG A CZ 1 +ATOM 776 N NH1 . ARG A 1 97 ? 12.151 43.811 32.187 1.00 38.70 ? 97 ARG A NH1 1 +ATOM 777 N NH2 . ARG A 1 97 ? 13.788 45.010 31.106 1.00 40.33 ? 97 ARG A NH2 1 +ATOM 778 N N . MET A 1 98 ? 15.536 42.047 38.273 1.00 19.05 ? 98 MET A N 1 +ATOM 779 C CA . MET A 1 98 ? 15.154 40.959 39.139 1.00 15.63 ? 98 MET A CA 1 +ATOM 780 C C . MET A 1 98 ? 13.647 41.025 39.200 1.00 12.84 ? 98 MET A C 1 +ATOM 781 O O . MET A 1 98 ? 13.066 42.113 39.222 1.00 14.66 ? 98 MET A O 1 +ATOM 782 C CB . MET A 1 98 ? 15.754 41.175 40.539 1.00 18.01 ? 98 MET A CB 1 +ATOM 783 C CG . MET A 1 98 ? 15.605 39.999 41.508 1.00 17.07 ? 98 MET A CG 1 +ATOM 784 S SD . MET A 1 98 ? 13.963 39.859 42.272 1.00 31.66 ? 98 MET A SD 1 +ATOM 785 C CE . MET A 1 98 ? 13.913 41.410 43.159 1.00 24.06 ? 98 MET A CE 1 +ATOM 786 N N . TYR A 1 99 ? 12.999 39.880 39.121 1.00 7.56 ? 99 TYR A N 1 +ATOM 787 C CA . TYR A 1 99 ? 11.566 39.874 39.232 1.00 13.92 ? 99 TYR A CA 1 +ATOM 788 C C . TYR A 1 99 ? 11.131 38.519 39.714 1.00 19.16 ? 99 TYR A C 1 +ATOM 789 O O . TYR A 1 99 ? 11.876 37.550 39.563 1.00 23.99 ? 99 TYR A O 1 +ATOM 790 C CB . TYR A 1 99 ? 10.875 40.306 37.928 1.00 19.23 ? 99 TYR A CB 1 +ATOM 791 C CG . TYR A 1 99 ? 11.056 39.437 36.692 1.00 19.30 ? 99 TYR A CG 1 +ATOM 792 C CD1 . TYR A 1 99 ? 10.392 38.217 36.570 1.00 22.32 ? 99 TYR A CD1 1 +ATOM 793 C CD2 . TYR A 1 99 ? 11.818 39.882 35.606 1.00 17.23 ? 99 TYR A CD2 1 +ATOM 794 C CE1 . TYR A 1 99 ? 10.475 37.468 35.409 1.00 22.95 ? 99 TYR A CE1 1 +ATOM 795 C CE2 . TYR A 1 99 ? 11.907 39.137 34.439 1.00 18.51 ? 99 TYR A CE2 1 +ATOM 796 C CZ . TYR A 1 99 ? 11.234 37.936 34.354 1.00 19.59 ? 99 TYR A CZ 1 +ATOM 797 O OH . TYR A 1 99 ? 11.314 37.180 33.229 1.00 18.03 ? 99 TYR A OH 1 +ATOM 798 N N . GLY A 1 100 ? 9.976 38.466 40.373 1.00 22.18 ? 100 GLY A N 1 +ATOM 799 C CA . GLY A 1 100 ? 9.490 37.204 40.884 1.00 23.87 ? 100 GLY A CA 1 +ATOM 800 C C . GLY A 1 100 ? 8.218 37.321 41.691 1.00 26.45 ? 100 GLY A C 1 +ATOM 801 O O . GLY A 1 100 ? 7.660 38.411 41.853 1.00 23.67 ? 100 GLY A O 1 +ATOM 802 N N . CYS A 1 101 ? 7.745 36.177 42.170 1.00 30.98 ? 101 CYS A N 1 +ATOM 803 C CA . CYS A 1 101 ? 6.532 36.107 42.969 1.00 34.78 ? 101 CYS A CA 1 +ATOM 804 C C . CYS A 1 101 ? 6.752 35.210 44.192 1.00 34.76 ? 101 CYS A C 1 +ATOM 805 O O . CYS A 1 101 ? 7.695 34.404 44.227 1.00 36.73 ? 101 CYS A O 1 +ATOM 806 C CB . CYS A 1 101 ? 5.360 35.595 42.125 1.00 32.70 ? 101 CYS A CB 1 +ATOM 807 S SG . CYS A 1 101 ? 5.624 33.980 41.315 1.00 42.53 ? 101 CYS A SG 1 +ATOM 808 N N . ASP A 1 102 ? 5.918 35.419 45.212 1.00 32.68 ? 102 ASP A N 1 +ATOM 809 C CA . ASP A 1 102 ? 5.949 34.673 46.470 1.00 22.88 ? 102 ASP A CA 1 +ATOM 810 C C . ASP A 1 102 ? 4.580 34.090 46.715 1.00 20.81 ? 102 ASP A C 1 +ATOM 811 O O . ASP A 1 102 ? 3.569 34.788 46.546 1.00 18.07 ? 102 ASP A O 1 +ATOM 812 C CB . ASP A 1 102 ? 6.215 35.616 47.638 1.00 25.63 ? 102 ASP A CB 1 +ATOM 813 C CG . ASP A 1 102 ? 7.613 36.141 47.658 1.00 31.24 ? 102 ASP A CG 1 +ATOM 814 O OD1 . ASP A 1 102 ? 8.458 35.582 46.951 1.00 42.39 ? 102 ASP A OD1 1 +ATOM 815 O OD2 . ASP A 1 102 ? 7.883 37.100 48.400 1.00 27.97 ? 102 ASP A OD2 1 +ATOM 816 N N . VAL A 1 103 ? 4.534 32.821 47.088 1.00 20.54 ? 103 VAL A N 1 +ATOM 817 C CA . VAL A 1 103 ? 3.264 32.199 47.412 1.00 28.30 ? 103 VAL A CA 1 +ATOM 818 C C . VAL A 1 103 ? 3.323 31.853 48.895 1.00 34.81 ? 103 VAL A C 1 +ATOM 819 O O . VAL A 1 103 ? 4.405 31.664 49.458 1.00 33.39 ? 103 VAL A O 1 +ATOM 820 C CB . VAL A 1 103 ? 2.947 30.934 46.561 1.00 29.91 ? 103 VAL A CB 1 +ATOM 821 C CG1 . VAL A 1 103 ? 2.667 31.326 45.137 1.00 35.45 ? 103 VAL A CG1 1 +ATOM 822 C CG2 . VAL A 1 103 ? 4.066 29.923 46.625 1.00 27.69 ? 103 VAL A CG2 1 +ATOM 823 N N . GLY A 1 104 ? 2.175 31.904 49.553 1.00 43.12 ? 104 GLY A N 1 +ATOM 824 C CA . GLY A 1 104 ? 2.131 31.574 50.963 1.00 45.30 ? 104 GLY A CA 1 +ATOM 825 C C . GLY A 1 104 ? 2.147 30.069 51.139 1.00 45.14 ? 104 GLY A C 1 +ATOM 826 O O . GLY A 1 104 ? 2.386 29.321 50.189 1.00 40.19 ? 104 GLY A O 1 +ATOM 827 N N . SER A 1 105 ? 1.854 29.620 52.351 1.00 44.84 ? 105 SER A N 1 +ATOM 828 C CA . SER A 1 105 ? 1.834 28.199 52.631 1.00 47.76 ? 105 SER A CA 1 +ATOM 829 C C . SER A 1 105 ? 0.671 27.539 51.897 1.00 47.89 ? 105 SER A C 1 +ATOM 830 O O . SER A 1 105 ? 0.718 26.344 51.586 1.00 50.99 ? 105 SER A O 1 +ATOM 831 C CB . SER A 1 105 ? 1.759 27.970 54.135 1.00 51.44 ? 105 SER A CB 1 +ATOM 832 O OG . SER A 1 105 ? 2.933 28.478 54.759 1.00 60.54 ? 105 SER A OG 1 +ATOM 833 N N . ASP A 1 106 ? -0.359 28.335 51.612 1.00 45.29 ? 106 ASP A N 1 +ATOM 834 C CA . ASP A 1 106 ? -1.532 27.869 50.878 1.00 45.43 ? 106 ASP A CA 1 +ATOM 835 C C . ASP A 1 106 ? -1.187 27.848 49.391 1.00 50.52 ? 106 ASP A C 1 +ATOM 836 O O . ASP A 1 106 ? -2.049 27.584 48.552 1.00 54.71 ? 106 ASP A O 1 +ATOM 837 C CB . ASP A 1 106 ? -2.725 28.799 51.120 1.00 43.44 ? 106 ASP A CB 1 +ATOM 838 C CG . ASP A 1 106 ? -2.428 30.260 50.762 1.00 46.76 ? 106 ASP A CG 1 +ATOM 839 O OD1 . ASP A 1 106 ? -1.255 30.632 50.545 1.00 44.05 ? 106 ASP A OD1 1 +ATOM 840 O OD2 . ASP A 1 106 ? -3.388 31.058 50.706 1.00 51.33 ? 106 ASP A OD2 1 +ATOM 841 N N . TRP A 1 107 ? 0.069 28.193 49.089 1.00 49.02 ? 107 TRP A N 1 +ATOM 842 C CA . TRP A 1 107 ? 0.612 28.233 47.735 1.00 44.37 ? 107 TRP A CA 1 +ATOM 843 C C . TRP A 1 107 ? -0.055 29.243 46.811 1.00 44.94 ? 107 TRP A C 1 +ATOM 844 O O . TRP A 1 107 ? 0.084 29.161 45.594 1.00 43.16 ? 107 TRP A O 1 +ATOM 845 C CB . TRP A 1 107 ? 0.588 26.844 47.109 1.00 43.86 ? 107 TRP A CB 1 +ATOM 846 C CG . TRP A 1 107 ? 1.728 25.963 47.516 1.00 41.56 ? 107 TRP A CG 1 +ATOM 847 C CD1 . TRP A 1 107 ? 2.629 26.188 48.515 1.00 42.34 ? 107 TRP A CD1 1 +ATOM 848 C CD2 . TRP A 1 107 ? 2.098 24.716 46.912 1.00 40.70 ? 107 TRP A CD2 1 +ATOM 849 N NE1 . TRP A 1 107 ? 3.537 25.157 48.573 1.00 41.75 ? 107 TRP A NE1 1 +ATOM 850 C CE2 . TRP A 1 107 ? 3.235 24.240 47.601 1.00 39.61 ? 107 TRP A CE2 1 +ATOM 851 C CE3 . TRP A 1 107 ? 1.575 23.954 45.855 1.00 41.16 ? 107 TRP A CE3 1 +ATOM 852 C CZ2 . TRP A 1 107 ? 3.862 23.033 47.269 1.00 42.43 ? 107 TRP A CZ2 1 +ATOM 853 C CZ3 . TRP A 1 107 ? 2.199 22.749 45.523 1.00 40.05 ? 107 TRP A CZ3 1 +ATOM 854 C CH2 . TRP A 1 107 ? 3.331 22.303 46.229 1.00 44.51 ? 107 TRP A CH2 1 +ATOM 855 N N . ARG A 1 108 ? -0.758 30.205 47.403 1.00 46.98 ? 108 ARG A N 1 +ATOM 856 C CA . ARG A 1 108 ? -1.444 31.244 46.647 1.00 44.56 ? 108 ARG A CA 1 +ATOM 857 C C . ARG A 1 108 ? -0.669 32.550 46.663 1.00 39.92 ? 108 ARG A C 1 +ATOM 858 O O . ARG A 1 108 ? 0.148 32.804 47.562 1.00 34.81 ? 108 ARG A O 1 +ATOM 859 C CB . ARG A 1 108 ? -2.860 31.463 47.180 1.00 51.81 ? 108 ARG A CB 1 +ATOM 860 C CG . ARG A 1 108 ? -3.792 30.285 46.976 1.00 59.15 ? 108 ARG A CG 1 +ATOM 861 C CD . ARG A 1 108 ? -5.156 30.592 47.531 1.00 70.21 ? 108 ARG A CD 1 +ATOM 862 N NE . ARG A 1 108 ? -6.053 29.454 47.413 1.00 84.64 ? 108 ARG A NE 1 +ATOM 863 C CZ . ARG A 1 108 ? -7.337 29.481 47.754 1.00 94.89 ? 108 ARG A CZ 1 +ATOM 864 N NH1 . ARG A 1 108 ? -7.877 30.595 48.239 1.00 100.00 ? 108 ARG A NH1 1 +ATOM 865 N NH2 . ARG A 1 108 ? -8.089 28.393 47.605 1.00 100.00 ? 108 ARG A NH2 1 +ATOM 866 N N . PHE A 1 109 ? -0.959 33.385 45.671 1.00 35.77 ? 109 PHE A N 1 +ATOM 867 C CA . PHE A 1 109 ? -0.293 34.664 45.513 1.00 33.27 ? 109 PHE A CA 1 +ATOM 868 C C . PHE A 1 109 ? -0.106 35.414 46.836 1.00 35.22 ? 109 PHE A C 1 +ATOM 869 O O . PHE A 1 109 ? -0.949 35.350 47.734 1.00 37.48 ? 109 PHE A O 1 +ATOM 870 C CB . PHE A 1 109 ? -1.036 35.538 44.487 1.00 24.18 ? 109 PHE A CB 1 +ATOM 871 C CG . PHE A 1 109 ? -0.310 36.805 44.151 1.00 16.27 ? 109 PHE A CG 1 +ATOM 872 C CD1 . PHE A 1 109 ? 0.940 36.752 43.558 1.00 13.45 ? 109 PHE A CD1 1 +ATOM 873 C CD2 . PHE A 1 109 ? -0.825 38.032 44.516 1.00 13.64 ? 109 PHE A CD2 1 +ATOM 874 C CE1 . PHE A 1 109 ? 1.678 37.900 43.337 1.00 19.65 ? 109 PHE A CE1 1 +ATOM 875 C CE2 . PHE A 1 109 ? -0.096 39.187 44.303 1.00 22.40 ? 109 PHE A CE2 1 +ATOM 876 C CZ . PHE A 1 109 ? 1.167 39.121 43.710 1.00 18.83 ? 109 PHE A CZ 1 +ATOM 877 N N . LEU A 1 110 ? 1.011 36.116 46.946 1.00 31.51 ? 110 LEU A N 1 +ATOM 878 C CA . LEU A 1 110 ? 1.302 36.862 48.139 1.00 29.72 ? 110 LEU A CA 1 +ATOM 879 C C . LEU A 1 110 ? 1.881 38.210 47.737 1.00 32.71 ? 110 LEU A C 1 +ATOM 880 O O . LEU A 1 110 ? 1.304 39.239 48.050 1.00 39.10 ? 110 LEU A O 1 +ATOM 881 C CB . LEU A 1 110 ? 2.293 36.071 48.984 1.00 38.70 ? 110 LEU A CB 1 +ATOM 882 C CG . LEU A 1 110 ? 2.328 36.221 50.504 1.00 37.34 ? 110 LEU A CG 1 +ATOM 883 C CD1 . LEU A 1 110 ? 0.978 35.875 51.103 1.00 32.34 ? 110 LEU A CD1 1 +ATOM 884 C CD2 . LEU A 1 110 ? 3.406 35.306 51.050 1.00 37.54 ? 110 LEU A CD2 1 +ATOM 885 N N . ARG A 1 111 ? 3.007 38.216 47.026 1.00 33.40 ? 111 ARG A N 1 +ATOM 886 C CA . ARG A 1 111 ? 3.631 39.474 46.595 1.00 35.79 ? 111 ARG A CA 1 +ATOM 887 C C . ARG A 1 111 ? 4.314 39.275 45.252 1.00 37.63 ? 111 ARG A C 1 +ATOM 888 O O . ARG A 1 111 ? 4.792 38.176 44.953 1.00 37.28 ? 111 ARG A O 1 +ATOM 889 C CB . ARG A 1 111 ? 4.699 39.953 47.588 1.00 42.79 ? 111 ARG A CB 1 +ATOM 890 C CG . ARG A 1 111 ? 4.231 40.230 49.004 1.00 53.69 ? 111 ARG A CG 1 +ATOM 891 C CD . ARG A 1 111 ? 5.422 40.427 49.934 1.00 59.68 ? 111 ARG A CD 1 +ATOM 892 N NE . ARG A 1 111 ? 5.232 39.736 51.208 1.00 67.44 ? 111 ARG A NE 1 +ATOM 893 C CZ . ARG A 1 111 ? 5.387 38.425 51.392 1.00 69.37 ? 111 ARG A CZ 1 +ATOM 894 N NH1 . ARG A 1 111 ? 5.744 37.626 50.392 1.00 67.66 ? 111 ARG A NH1 1 +ATOM 895 N NH2 . ARG A 1 111 ? 5.176 37.903 52.590 1.00 77.27 ? 111 ARG A NH2 1 +ATOM 896 N N . GLY A 1 112 ? 4.363 40.349 44.463 1.00 37.49 ? 112 GLY A N 1 +ATOM 897 C CA . GLY A 1 112 ? 5.001 40.328 43.160 1.00 32.09 ? 112 GLY A CA 1 +ATOM 898 C C . GLY A 1 112 ? 6.103 41.361 43.201 1.00 31.07 ? 112 GLY A C 1 +ATOM 899 O O . GLY A 1 112 ? 5.949 42.366 43.889 1.00 33.59 ? 112 GLY A O 1 +ATOM 900 N N . TYR A 1 113 ? 7.214 41.112 42.504 1.00 34.05 ? 113 TYR A N 1 +ATOM 901 C CA . TYR A 1 113 ? 8.357 42.027 42.478 1.00 34.36 ? 113 TYR A CA 1 +ATOM 902 C C . TYR A 1 113 ? 8.838 42.256 41.050 1.00 31.72 ? 113 TYR A C 1 +ATOM 903 O O . TYR A 1 113 ? 8.583 41.439 40.164 1.00 34.49 ? 113 TYR A O 1 +ATOM 904 C CB . TYR A 1 113 ? 9.543 41.431 43.256 1.00 44.97 ? 113 TYR A CB 1 +ATOM 905 C CG . TYR A 1 113 ? 9.218 40.950 44.643 1.00 60.98 ? 113 TYR A CG 1 +ATOM 906 C CD1 . TYR A 1 113 ? 8.387 39.845 44.841 1.00 66.09 ? 113 TYR A CD1 1 +ATOM 907 C CD2 . TYR A 1 113 ? 9.712 41.616 45.766 1.00 72.43 ? 113 TYR A CD2 1 +ATOM 908 C CE1 . TYR A 1 113 ? 8.036 39.419 46.128 1.00 75.04 ? 113 TYR A CE1 1 +ATOM 909 C CE2 . TYR A 1 113 ? 9.375 41.200 47.065 1.00 80.46 ? 113 TYR A CE2 1 +ATOM 910 C CZ . TYR A 1 113 ? 8.538 40.102 47.241 1.00 81.22 ? 113 TYR A CZ 1 +ATOM 911 O OH . TYR A 1 113 ? 8.190 39.710 48.518 1.00 80.05 ? 113 TYR A OH 1 +ATOM 912 N N . HIS A 1 114 ? 9.568 43.354 40.856 1.00 29.01 ? 114 HIS A N 1 +ATOM 913 C CA . HIS A 1 114 ? 10.188 43.726 39.579 1.00 28.66 ? 114 HIS A CA 1 +ATOM 914 C C . HIS A 1 114 ? 11.023 44.962 39.818 1.00 22.15 ? 114 HIS A C 1 +ATOM 915 O O . HIS A 1 114 ? 10.472 46.044 39.997 1.00 25.85 ? 114 HIS A O 1 +ATOM 916 C CB . HIS A 1 114 ? 9.190 44.027 38.450 1.00 34.14 ? 114 HIS A CB 1 +ATOM 917 C CG . HIS A 1 114 ? 9.861 44.416 37.162 1.00 36.15 ? 114 HIS A CG 1 +ATOM 918 N ND1 . HIS A 1 114 ? 10.357 43.491 36.270 1.00 39.35 ? 114 HIS A ND1 1 +ATOM 919 C CD2 . HIS A 1 114 ? 10.212 45.633 36.667 1.00 37.09 ? 114 HIS A CD2 1 +ATOM 920 C CE1 . HIS A 1 114 ? 10.992 44.111 35.288 1.00 35.56 ? 114 HIS A CE1 1 +ATOM 921 N NE2 . HIS A 1 114 ? 10.917 45.411 35.510 1.00 37.22 ? 114 HIS A NE2 1 +ATOM 922 N N . GLN A 1 115 ? 12.343 44.817 39.765 1.00 17.91 ? 115 GLN A N 1 +ATOM 923 C CA . GLN A 1 115 ? 13.223 45.940 40.019 1.00 13.46 ? 115 GLN A CA 1 +ATOM 924 C C . GLN A 1 115 ? 14.289 45.983 38.995 1.00 14.89 ? 115 GLN A C 1 +ATOM 925 O O . GLN A 1 115 ? 14.867 44.964 38.666 1.00 21.64 ? 115 GLN A O 1 +ATOM 926 C CB . GLN A 1 115 ? 13.905 45.795 41.380 1.00 26.85 ? 115 GLN A CB 1 +ATOM 927 C CG . GLN A 1 115 ? 13.039 45.174 42.469 1.00 33.59 ? 115 GLN A CG 1 +ATOM 928 C CD . GLN A 1 115 ? 13.515 45.524 43.856 1.00 41.22 ? 115 GLN A CD 1 +ATOM 929 O OE1 . GLN A 1 115 ? 12.806 46.194 44.610 1.00 45.08 ? 115 GLN A OE1 1 +ATOM 930 N NE2 . GLN A 1 115 ? 14.734 45.102 44.193 1.00 41.04 ? 115 GLN A NE2 1 +ATOM 931 N N . TYR A 1 116 ? 14.614 47.192 38.578 1.00 17.30 ? 116 TYR A N 1 +ATOM 932 C CA . TYR A 1 116 ? 15.614 47.441 37.569 1.00 12.54 ? 116 TYR A CA 1 +ATOM 933 C C . TYR A 1 116 ? 16.621 48.319 38.251 1.00 11.92 ? 116 TYR A C 1 +ATOM 934 O O . TYR A 1 116 ? 16.240 49.206 39.009 1.00 23.23 ? 116 TYR A O 1 +ATOM 935 C CB . TYR A 1 116 ? 14.959 48.224 36.428 1.00 17.47 ? 116 TYR A CB 1 +ATOM 936 C CG . TYR A 1 116 ? 15.658 48.119 35.094 1.00 25.37 ? 116 TYR A CG 1 +ATOM 937 C CD1 . TYR A 1 116 ? 15.431 47.021 34.254 1.00 26.69 ? 116 TYR A CD1 1 +ATOM 938 C CD2 . TYR A 1 116 ? 16.556 49.103 34.669 1.00 26.52 ? 116 TYR A CD2 1 +ATOM 939 C CE1 . TYR A 1 116 ? 16.083 46.905 33.037 1.00 29.49 ? 116 TYR A CE1 1 +ATOM 940 C CE2 . TYR A 1 116 ? 17.209 48.994 33.450 1.00 30.83 ? 116 TYR A CE2 1 +ATOM 941 C CZ . TYR A 1 116 ? 16.968 47.891 32.647 1.00 29.77 ? 116 TYR A CZ 1 +ATOM 942 O OH . TYR A 1 116 ? 17.633 47.754 31.460 1.00 39.02 ? 116 TYR A OH 1 +ATOM 943 N N . ALA A 1 117 ? 17.893 48.108 37.962 1.00 12.33 ? 117 ALA A N 1 +ATOM 944 C CA . ALA A 1 117 ? 18.959 48.905 38.547 1.00 15.89 ? 117 ALA A CA 1 +ATOM 945 C C . ALA A 1 117 ? 20.031 49.134 37.518 1.00 22.97 ? 117 ALA A C 1 +ATOM 946 O O . ALA A 1 117 ? 20.437 48.196 36.827 1.00 31.48 ? 117 ALA A O 1 +ATOM 947 C CB . ALA A 1 117 ? 19.556 48.198 39.729 1.00 23.45 ? 117 ALA A CB 1 +ATOM 948 N N . TYR A 1 118 ? 20.524 50.365 37.450 1.00 22.86 ? 118 TYR A N 1 +ATOM 949 C CA . TYR A 1 118 ? 21.566 50.727 36.502 1.00 22.98 ? 118 TYR A CA 1 +ATOM 950 C C . TYR A 1 118 ? 22.782 51.189 37.270 1.00 21.92 ? 118 TYR A C 1 +ATOM 951 O O . TYR A 1 118 ? 22.712 52.151 38.023 1.00 26.24 ? 118 TYR A O 1 +ATOM 952 C CB . TYR A 1 118 ? 21.071 51.841 35.566 1.00 23.67 ? 118 TYR A CB 1 +ATOM 953 C CG . TYR A 1 118 ? 22.118 52.398 34.620 1.00 18.47 ? 118 TYR A CG 1 +ATOM 954 C CD1 . TYR A 1 118 ? 22.889 51.556 33.826 1.00 18.66 ? 118 TYR A CD1 1 +ATOM 955 C CD2 . TYR A 1 118 ? 22.340 53.766 34.532 1.00 12.65 ? 118 TYR A CD2 1 +ATOM 956 C CE1 . TYR A 1 118 ? 23.858 52.061 32.975 1.00 21.26 ? 118 TYR A CE1 1 +ATOM 957 C CE2 . TYR A 1 118 ? 23.301 54.283 33.678 1.00 12.56 ? 118 TYR A CE2 1 +ATOM 958 C CZ . TYR A 1 118 ? 24.058 53.430 32.895 1.00 19.39 ? 118 TYR A CZ 1 +ATOM 959 O OH . TYR A 1 118 ? 24.976 53.941 31.981 1.00 25.99 ? 118 TYR A OH 1 +ATOM 960 N N . ASP A 1 119 ? 23.892 50.491 37.059 1.00 31.62 ? 119 ASP A N 1 +ATOM 961 C CA . ASP A 1 119 ? 25.177 50.776 37.708 1.00 35.96 ? 119 ASP A CA 1 +ATOM 962 C C . ASP A 1 119 ? 25.220 50.490 39.222 1.00 38.28 ? 119 ASP A C 1 +ATOM 963 O O . ASP A 1 119 ? 25.992 51.111 39.962 1.00 42.76 ? 119 ASP A O 1 +ATOM 964 C CB . ASP A 1 119 ? 25.639 52.219 37.412 1.00 38.76 ? 119 ASP A CB 1 +ATOM 965 C CG . ASP A 1 119 ? 26.421 52.347 36.093 1.00 42.17 ? 119 ASP A CG 1 +ATOM 966 O OD1 . ASP A 1 119 ? 26.719 51.308 35.467 1.00 45.50 ? 119 ASP A OD1 1 +ATOM 967 O OD2 . ASP A 1 119 ? 26.762 53.490 35.694 1.00 32.26 ? 119 ASP A OD2 1 +ATOM 968 N N . GLY A 1 120 ? 24.431 49.513 39.664 1.00 38.19 ? 120 GLY A N 1 +ATOM 969 C CA . GLY A 1 120 ? 24.399 49.153 41.074 1.00 40.48 ? 120 GLY A CA 1 +ATOM 970 C C . GLY A 1 120 ? 23.427 49.927 41.947 1.00 39.54 ? 120 GLY A C 1 +ATOM 971 O O . GLY A 1 120 ? 23.252 49.607 43.121 1.00 44.56 ? 120 GLY A O 1 +ATOM 972 N N . LYS A 1 121 ? 22.762 50.916 41.364 1.00 40.43 ? 121 LYS A N 1 +ATOM 973 C CA . LYS A 1 121 ? 21.822 51.750 42.095 1.00 36.13 ? 121 LYS A CA 1 +ATOM 974 C C . LYS A 1 121 ? 20.422 51.572 41.546 1.00 31.65 ? 121 LYS A C 1 +ATOM 975 O O . LYS A 1 121 ? 20.244 51.316 40.366 1.00 36.08 ? 121 LYS A O 1 +ATOM 976 C CB . LYS A 1 121 ? 22.260 53.218 41.990 1.00 42.51 ? 121 LYS A CB 1 +ATOM 977 C CG . LYS A 1 121 ? 21.301 54.213 42.608 1.00 50.14 ? 121 LYS A CG 1 +ATOM 978 C CD . LYS A 1 121 ? 21.733 55.645 42.365 1.00 52.45 ? 121 LYS A CD 1 +ATOM 979 C CE . LYS A 1 121 ? 20.578 56.577 42.667 1.00 55.73 ? 121 LYS A CE 1 +ATOM 980 N NZ . LYS A 1 121 ? 20.847 57.945 42.156 1.00 62.81 ? 121 LYS A NZ 1 +ATOM 981 N N . ASP A 1 122 ? 19.432 51.691 42.420 1.00 35.27 ? 122 ASP A N 1 +ATOM 982 C CA . ASP A 1 122 ? 18.041 51.552 42.033 1.00 32.85 ? 122 ASP A CA 1 +ATOM 983 C C . ASP A 1 122 ? 17.745 52.496 40.888 1.00 31.75 ? 122 ASP A C 1 +ATOM 984 O O . ASP A 1 122 ? 18.289 53.595 40.825 1.00 32.14 ? 122 ASP A O 1 +ATOM 985 C CB . ASP A 1 122 ? 17.122 51.884 43.210 1.00 40.03 ? 122 ASP A CB 1 +ATOM 986 C CG . ASP A 1 122 ? 17.153 50.830 44.305 1.00 42.28 ? 122 ASP A CG 1 +ATOM 987 O OD1 . ASP A 1 122 ? 17.167 49.624 43.990 1.00 44.75 ? 122 ASP A OD1 1 +ATOM 988 O OD2 . ASP A 1 122 ? 17.132 51.214 45.491 1.00 49.41 ? 122 ASP A OD2 1 +ATOM 989 N N . TYR A 1 123 ? 16.899 52.052 39.967 1.00 32.44 ? 123 TYR A N 1 +ATOM 990 C CA . TYR A 1 123 ? 16.538 52.866 38.812 1.00 29.95 ? 123 TYR A CA 1 +ATOM 991 C C . TYR A 1 123 ? 15.033 52.994 38.769 1.00 29.63 ? 123 TYR A C 1 +ATOM 992 O O . TYR A 1 123 ? 14.498 54.101 38.742 1.00 34.22 ? 123 TYR A O 1 +ATOM 993 C CB . TYR A 1 123 ? 17.052 52.239 37.513 1.00 29.73 ? 123 TYR A CB 1 +ATOM 994 C CG . TYR A 1 123 ? 16.766 53.084 36.299 1.00 32.44 ? 123 TYR A CG 1 +ATOM 995 C CD1 . TYR A 1 123 ? 17.461 54.266 36.080 1.00 32.34 ? 123 TYR A CD1 1 +ATOM 996 C CD2 . TYR A 1 123 ? 15.768 52.726 35.390 1.00 30.68 ? 123 TYR A CD2 1 +ATOM 997 C CE1 . TYR A 1 123 ? 17.171 55.066 34.998 1.00 31.05 ? 123 TYR A CE1 1 +ATOM 998 C CE2 . TYR A 1 123 ? 15.473 53.523 34.308 1.00 21.48 ? 123 TYR A CE2 1 +ATOM 999 C CZ . TYR A 1 123 ? 16.179 54.690 34.115 1.00 29.98 ? 123 TYR A CZ 1 +ATOM 1000 O OH . TYR A 1 123 ? 15.929 55.491 33.024 1.00 38.15 ? 123 TYR A OH 1 +ATOM 1001 N N . ILE A 1 124 ? 14.348 51.864 38.709 1.00 26.29 ? 124 ILE A N 1 +ATOM 1002 C CA . ILE A 1 124 ? 12.897 51.883 38.709 1.00 27.93 ? 124 ILE A CA 1 +ATOM 1003 C C . ILE A 1 124 ? 12.400 50.532 39.203 1.00 33.20 ? 124 ILE A C 1 +ATOM 1004 O O . ILE A 1 124 ? 13.028 49.493 38.945 1.00 38.56 ? 124 ILE A O 1 +ATOM 1005 C CB . ILE A 1 124 ? 12.282 52.241 37.315 1.00 27.01 ? 124 ILE A CB 1 +ATOM 1006 C CG1 . ILE A 1 124 ? 10.767 52.453 37.464 1.00 27.17 ? 124 ILE A CG1 1 +ATOM 1007 C CG2 . ILE A 1 124 ? 12.549 51.122 36.308 1.00 28.49 ? 124 ILE A CG2 1 +ATOM 1008 C CD1 . ILE A 1 124 ? 10.058 53.026 36.272 1.00 26.86 ? 124 ILE A CD1 1 +ATOM 1009 N N . ALA A 1 125 ? 11.306 50.563 39.958 1.00 31.57 ? 125 ALA A N 1 +ATOM 1010 C CA . ALA A 1 125 ? 10.707 49.363 40.517 1.00 28.82 ? 125 ALA A CA 1 +ATOM 1011 C C . ALA A 1 125 ? 9.197 49.509 40.537 1.00 29.54 ? 125 ALA A C 1 +ATOM 1012 O O . ALA A 1 125 ? 8.672 50.619 40.639 1.00 29.14 ? 125 ALA A O 1 +ATOM 1013 C CB . ALA A 1 125 ? 11.228 49.128 41.915 1.00 28.12 ? 125 ALA A CB 1 +ATOM 1014 N N . LEU A 1 126 ? 8.510 48.384 40.406 1.00 29.94 ? 126 LEU A N 1 +ATOM 1015 C CA . LEU A 1 126 ? 7.052 48.343 40.404 1.00 37.76 ? 126 LEU A CA 1 +ATOM 1016 C C . LEU A 1 126 ? 6.574 48.334 41.860 1.00 40.83 ? 126 LEU A C 1 +ATOM 1017 O O . LEU A 1 126 ? 7.048 47.517 42.648 1.00 46.72 ? 126 LEU A O 1 +ATOM 1018 C CB . LEU A 1 126 ? 6.581 47.057 39.692 1.00 31.66 ? 126 LEU A CB 1 +ATOM 1019 C CG . LEU A 1 126 ? 5.095 46.750 39.455 1.00 28.39 ? 126 LEU A CG 1 +ATOM 1020 C CD1 . LEU A 1 126 ? 4.503 47.781 38.497 1.00 15.22 ? 126 LEU A CD1 1 +ATOM 1021 C CD2 . LEU A 1 126 ? 4.934 45.324 38.902 1.00 19.68 ? 126 LEU A CD2 1 +ATOM 1022 N N . LYS A 1 127 ? 5.676 49.248 42.228 1.00 41.69 ? 127 LYS A N 1 +ATOM 1023 C CA . LYS A 1 127 ? 5.163 49.285 43.596 1.00 41.32 ? 127 LYS A CA 1 +ATOM 1024 C C . LYS A 1 127 ? 4.366 48.033 43.922 1.00 44.80 ? 127 LYS A C 1 +ATOM 1025 O O . LYS A 1 127 ? 3.738 47.435 43.047 1.00 42.21 ? 127 LYS A O 1 +ATOM 1026 C CB . LYS A 1 127 ? 4.295 50.514 43.838 1.00 39.61 ? 127 LYS A CB 1 +ATOM 1027 C CG . LYS A 1 127 ? 5.082 51.794 44.004 1.00 40.53 ? 127 LYS A CG 1 +ATOM 1028 C CD . LYS A 1 127 ? 4.176 52.954 44.380 1.00 43.19 ? 127 LYS A CD 1 +ATOM 1029 C CE . LYS A 1 127 ? 4.971 54.239 44.514 1.00 50.62 ? 127 LYS A CE 1 +ATOM 1030 N NZ . LYS A 1 127 ? 4.119 55.376 44.951 1.00 56.97 ? 127 LYS A NZ 1 +ATOM 1031 N N . GLU A 1 128 ? 4.343 47.692 45.206 1.00 50.56 ? 128 GLU A N 1 +ATOM 1032 C CA . GLU A 1 128 ? 3.652 46.508 45.733 1.00 52.58 ? 128 GLU A CA 1 +ATOM 1033 C C . GLU A 1 128 ? 2.247 46.207 45.181 1.00 49.26 ? 128 GLU A C 1 +ATOM 1034 O O . GLU A 1 128 ? 1.817 45.052 45.171 1.00 44.22 ? 128 GLU A O 1 +ATOM 1035 C CB . GLU A 1 128 ? 3.604 46.606 47.263 1.00 59.83 ? 128 GLU A CB 1 +ATOM 1036 C CG . GLU A 1 128 ? 3.065 45.364 47.966 1.00 74.98 ? 128 GLU A CG 1 +ATOM 1037 C CD . GLU A 1 128 ? 3.246 45.404 49.481 1.00 82.57 ? 128 GLU A CD 1 +ATOM 1038 O OE1 . GLU A 1 128 ? 3.106 46.495 50.085 1.00 89.62 ? 128 GLU A OE1 1 +ATOM 1039 O OE2 . GLU A 1 128 ? 3.524 44.331 50.065 1.00 86.09 ? 128 GLU A OE2 1 +ATOM 1040 N N . ASP A 1 129 ? 1.531 47.246 44.751 1.00 48.72 ? 129 ASP A N 1 +ATOM 1041 C CA . ASP A 1 129 ? 0.172 47.102 44.206 1.00 49.14 ? 129 ASP A CA 1 +ATOM 1042 C C . ASP A 1 129 ? 0.185 46.591 42.762 1.00 49.73 ? 129 ASP A C 1 +ATOM 1043 O O . ASP A 1 129 ? -0.869 46.336 42.164 1.00 47.39 ? 129 ASP A O 1 +ATOM 1044 C CB . ASP A 1 129 ? -0.589 48.442 44.283 1.00 47.08 ? 129 ASP A CB 1 +ATOM 1045 C CG . ASP A 1 129 ? -0.094 49.489 43.261 1.00 49.63 ? 129 ASP A CG 1 +ATOM 1046 O OD1 . ASP A 1 129 ? 1.068 49.425 42.784 1.00 51.48 ? 129 ASP A OD1 1 +ATOM 1047 O OD2 . ASP A 1 129 ? -0.889 50.398 42.940 1.00 46.95 ? 129 ASP A OD2 1 +ATOM 1048 N N . LEU A 1 130 ? 1.394 46.497 42.207 1.00 44.33 ? 130 LEU A N 1 +ATOM 1049 C CA . LEU A 1 130 ? 1.616 46.030 40.849 1.00 39.16 ? 130 LEU A CA 1 +ATOM 1050 C C . LEU A 1 130 ? 0.835 46.862 39.832 1.00 38.62 ? 130 LEU A C 1 +ATOM 1051 O O . LEU A 1 130 ? 0.269 46.309 38.887 1.00 37.77 ? 130 LEU A O 1 +ATOM 1052 C CB . LEU A 1 130 ? 1.243 44.544 40.725 1.00 32.19 ? 130 LEU A CB 1 +ATOM 1053 C CG . LEU A 1 130 ? 1.799 43.539 41.750 1.00 29.94 ? 130 LEU A CG 1 +ATOM 1054 C CD1 . LEU A 1 130 ? 1.407 42.110 41.341 1.00 22.08 ? 130 LEU A CD1 1 +ATOM 1055 C CD2 . LEU A 1 130 ? 3.316 43.675 41.907 1.00 27.03 ? 130 LEU A CD2 1 +ATOM 1056 N N . ARG A 1 131 ? 0.783 48.180 40.047 1.00 36.32 ? 131 ARG A N 1 +ATOM 1057 C CA . ARG A 1 131 ? 0.081 49.089 39.134 1.00 33.61 ? 131 ARG A CA 1 +ATOM 1058 C C . ARG A 1 131 ? 0.851 50.374 38.861 1.00 33.76 ? 131 ARG A C 1 +ATOM 1059 O O . ARG A 1 131 ? 0.610 51.045 37.858 1.00 35.76 ? 131 ARG A O 1 +ATOM 1060 C CB . ARG A 1 131 ? -1.282 49.483 39.679 1.00 36.62 ? 131 ARG A CB 1 +ATOM 1061 C CG . ARG A 1 131 ? -2.268 48.378 39.844 1.00 39.17 ? 131 ARG A CG 1 +ATOM 1062 C CD . ARG A 1 131 ? -3.478 48.934 40.550 1.00 55.43 ? 131 ARG A CD 1 +ATOM 1063 N NE . ARG A 1 131 ? -4.398 47.871 40.904 1.00 72.42 ? 131 ARG A NE 1 +ATOM 1064 C CZ . ARG A 1 131 ? -5.701 48.032 41.115 1.00 86.59 ? 131 ARG A CZ 1 +ATOM 1065 N NH1 . ARG A 1 131 ? -6.262 49.238 41.033 1.00 93.18 ? 131 ARG A NH1 1 +ATOM 1066 N NH2 . ARG A 1 131 ? -6.461 46.964 41.334 1.00 92.68 ? 131 ARG A NH2 1 +ATOM 1067 N N . SER A 1 132 ? 1.744 50.745 39.766 1.00 33.78 ? 132 SER A N 1 +ATOM 1068 C CA . SER A 1 132 ? 2.512 51.972 39.584 1.00 37.17 ? 132 SER A CA 1 +ATOM 1069 C C . SER A 1 132 ? 4.021 51.738 39.718 1.00 34.75 ? 132 SER A C 1 +ATOM 1070 O O . SER A 1 132 ? 4.452 50.625 40.071 1.00 27.41 ? 132 SER A O 1 +ATOM 1071 C CB . SER A 1 132 ? 2.027 53.059 40.557 1.00 39.79 ? 132 SER A CB 1 +ATOM 1072 O OG . SER A 1 132 ? 1.188 52.516 41.567 1.00 41.74 ? 132 SER A OG 1 +ATOM 1073 N N . TRP A 1 133 ? 4.797 52.802 39.481 1.00 30.60 ? 133 TRP A N 1 +ATOM 1074 C CA . TRP A 1 133 ? 6.255 52.751 39.524 1.00 31.40 ? 133 TRP A CA 1 +ATOM 1075 C C . TRP A 1 133 ? 6.922 53.768 40.443 1.00 37.00 ? 133 TRP A C 1 +ATOM 1076 O O . TRP A 1 133 ? 6.417 54.864 40.668 1.00 41.01 ? 133 TRP A O 1 +ATOM 1077 C CB . TRP A 1 133 ? 6.820 52.934 38.115 1.00 27.71 ? 133 TRP A CB 1 +ATOM 1078 C CG . TRP A 1 133 ? 6.226 51.986 37.153 1.00 30.97 ? 133 TRP A CG 1 +ATOM 1079 C CD1 . TRP A 1 133 ? 5.054 52.136 36.465 1.00 26.99 ? 133 TRP A CD1 1 +ATOM 1080 C CD2 . TRP A 1 133 ? 6.734 50.689 36.814 1.00 29.27 ? 133 TRP A CD2 1 +ATOM 1081 N NE1 . TRP A 1 133 ? 4.791 51.009 35.724 1.00 28.62 ? 133 TRP A NE1 1 +ATOM 1082 C CE2 . TRP A 1 133 ? 5.807 50.104 35.917 1.00 31.89 ? 133 TRP A CE2 1 +ATOM 1083 C CE3 . TRP A 1 133 ? 7.872 49.966 37.184 1.00 24.40 ? 133 TRP A CE3 1 +ATOM 1084 C CZ2 . TRP A 1 133 ? 5.988 48.821 35.382 1.00 31.36 ? 133 TRP A CZ2 1 +ATOM 1085 C CZ3 . TRP A 1 133 ? 8.055 48.691 36.656 1.00 28.75 ? 133 TRP A CZ3 1 +ATOM 1086 C CH2 . TRP A 1 133 ? 7.115 48.132 35.763 1.00 31.71 ? 133 TRP A CH2 1 +ATOM 1087 N N . THR A 1 134 ? 8.098 53.399 40.931 1.00 38.90 ? 134 THR A N 1 +ATOM 1088 C CA . THR A 1 134 ? 8.884 54.247 41.799 1.00 38.92 ? 134 THR A CA 1 +ATOM 1089 C C . THR A 1 134 ? 10.127 54.559 40.985 1.00 36.00 ? 134 THR A C 1 +ATOM 1090 O O . THR A 1 134 ? 10.978 53.699 40.810 1.00 34.05 ? 134 THR A O 1 +ATOM 1091 C CB . THR A 1 134 ? 9.318 53.479 43.061 1.00 44.16 ? 134 THR A CB 1 +ATOM 1092 O OG1 . THR A 1 134 ? 8.162 53.004 43.763 1.00 47.61 ? 134 THR A OG1 1 +ATOM 1093 C CG2 . THR A 1 134 ? 10.152 54.377 43.976 1.00 49.86 ? 134 THR A CG2 1 +ATOM 1094 N N . ALA A 1 135 ? 10.207 55.762 40.440 1.00 32.67 ? 135 ALA A N 1 +ATOM 1095 C CA . ALA A 1 135 ? 11.361 56.140 39.652 1.00 30.86 ? 135 ALA A CA 1 +ATOM 1096 C C . ALA A 1 135 ? 12.340 56.931 40.498 1.00 35.27 ? 135 ALA A C 1 +ATOM 1097 O O . ALA A 1 135 ? 11.952 57.881 41.172 1.00 38.66 ? 135 ALA A O 1 +ATOM 1098 C CB . ALA A 1 135 ? 10.932 56.958 38.461 1.00 27.43 ? 135 ALA A CB 1 +ATOM 1099 N N . ALA A 1 136 ? 13.606 56.534 40.456 1.00 33.74 ? 136 ALA A N 1 +ATOM 1100 C CA . ALA A 1 136 ? 14.648 57.209 41.209 1.00 34.39 ? 136 ALA A CA 1 +ATOM 1101 C C . ALA A 1 136 ? 14.840 58.672 40.792 1.00 39.16 ? 136 ALA A C 1 +ATOM 1102 O O . ALA A 1 136 ? 14.347 59.574 41.444 1.00 42.25 ? 136 ALA A O 1 +ATOM 1103 C CB . ALA A 1 136 ? 15.953 56.442 41.087 1.00 35.36 ? 136 ALA A CB 1 +ATOM 1104 N N . ASP A 1 137 ? 15.529 58.901 39.684 1.00 43.05 ? 137 ASP A N 1 +ATOM 1105 C CA . ASP A 1 137 ? 15.796 60.257 39.215 1.00 41.76 ? 137 ASP A CA 1 +ATOM 1106 C C . ASP A 1 137 ? 14.913 60.714 38.052 1.00 45.89 ? 137 ASP A C 1 +ATOM 1107 O O . ASP A 1 137 ? 13.811 60.192 37.856 1.00 47.87 ? 137 ASP A O 1 +ATOM 1108 C CB . ASP A 1 137 ? 17.269 60.364 38.833 1.00 45.09 ? 137 ASP A CB 1 +ATOM 1109 C CG . ASP A 1 137 ? 17.784 59.116 38.135 1.00 44.68 ? 137 ASP A CG 1 +ATOM 1110 O OD1 . ASP A 1 137 ? 17.014 58.440 37.425 1.00 47.02 ? 137 ASP A OD1 1 +ATOM 1111 O OD2 . ASP A 1 137 ? 18.972 58.803 38.308 1.00 51.63 ? 137 ASP A OD2 1 +ATOM 1112 N N . MET A 1 138 ? 15.399 61.696 37.287 1.00 44.16 ? 138 MET A N 1 +ATOM 1113 C CA . MET A 1 138 ? 14.663 62.220 36.136 1.00 43.28 ? 138 MET A CA 1 +ATOM 1114 C C . MET A 1 138 ? 14.587 61.175 35.029 1.00 39.33 ? 138 MET A C 1 +ATOM 1115 O O . MET A 1 138 ? 13.542 61.013 34.394 1.00 37.01 ? 138 MET A O 1 +ATOM 1116 C CB . MET A 1 138 ? 15.327 63.490 35.595 1.00 46.96 ? 138 MET A CB 1 +ATOM 1117 C CG . MET A 1 138 ? 15.259 64.684 36.534 1.00 52.53 ? 138 MET A CG 1 +ATOM 1118 S SD . MET A 1 138 ? 13.580 65.252 36.867 1.00 57.91 ? 138 MET A SD 1 +ATOM 1119 C CE . MET A 1 138 ? 13.329 66.325 35.470 1.00 54.52 ? 138 MET A CE 1 +ATOM 1120 N N . ALA A 1 139 ? 15.709 60.488 34.801 1.00 37.23 ? 139 ALA A N 1 +ATOM 1121 C CA . ALA A 1 139 ? 15.808 59.441 33.787 1.00 31.49 ? 139 ALA A CA 1 +ATOM 1122 C C . ALA A 1 139 ? 14.734 58.402 34.069 1.00 32.22 ? 139 ALA A C 1 +ATOM 1123 O O . ALA A 1 139 ? 13.857 58.159 33.247 1.00 38.57 ? 139 ALA A O 1 +ATOM 1124 C CB . ALA A 1 139 ? 17.181 58.807 33.829 1.00 26.07 ? 139 ALA A CB 1 +ATOM 1125 N N . ALA A 1 140 ? 14.757 57.860 35.279 1.00 35.06 ? 140 ALA A N 1 +ATOM 1126 C CA . ALA A 1 140 ? 13.788 56.864 35.710 1.00 34.73 ? 140 ALA A CA 1 +ATOM 1127 C C . ALA A 1 140 ? 12.367 57.343 35.431 1.00 39.42 ? 140 ALA A C 1 +ATOM 1128 O O . ALA A 1 140 ? 11.472 56.547 35.128 1.00 40.03 ? 140 ALA A O 1 +ATOM 1129 C CB . ALA A 1 140 ? 13.967 56.587 37.175 1.00 29.31 ? 140 ALA A CB 1 +ATOM 1130 N N . GLN A 1 141 ? 12.158 58.651 35.527 1.00 44.41 ? 141 GLN A N 1 +ATOM 1131 C CA . GLN A 1 141 ? 10.840 59.216 35.271 1.00 45.73 ? 141 GLN A CA 1 +ATOM 1132 C C . GLN A 1 141 ? 10.454 59.111 33.809 1.00 44.07 ? 141 GLN A C 1 +ATOM 1133 O O . GLN A 1 141 ? 9.294 58.823 33.501 1.00 45.07 ? 141 GLN A O 1 +ATOM 1134 C CB . GLN A 1 141 ? 10.757 60.658 35.756 1.00 47.67 ? 141 GLN A CB 1 +ATOM 1135 C CG . GLN A 1 141 ? 10.497 60.739 37.227 1.00 45.33 ? 141 GLN A CG 1 +ATOM 1136 C CD . GLN A 1 141 ? 10.331 62.146 37.705 1.00 45.54 ? 141 GLN A CD 1 +ATOM 1137 O OE1 . GLN A 1 141 ? 9.476 62.883 37.223 1.00 45.47 ? 141 GLN A OE1 1 +ATOM 1138 N NE2 . GLN A 1 141 ? 11.136 62.529 38.675 1.00 50.38 ? 141 GLN A NE2 1 +ATOM 1139 N N . THR A 1 142 ? 11.421 59.332 32.919 1.00 40.97 ? 142 THR A N 1 +ATOM 1140 C CA . THR A 1 142 ? 11.186 59.226 31.480 1.00 40.16 ? 142 THR A CA 1 +ATOM 1141 C C . THR A 1 142 ? 10.671 57.808 31.210 1.00 41.30 ? 142 THR A C 1 +ATOM 1142 O O . THR A 1 142 ? 9.594 57.613 30.607 1.00 42.09 ? 142 THR A O 1 +ATOM 1143 C CB . THR A 1 142 ? 12.496 59.441 30.674 1.00 38.45 ? 142 THR A CB 1 +ATOM 1144 O OG1 . THR A 1 142 ? 12.914 60.808 30.777 1.00 39.44 ? 142 THR A OG1 1 +ATOM 1145 C CG2 . THR A 1 142 ? 12.301 59.076 29.213 1.00 33.75 ? 142 THR A CG2 1 +ATOM 1146 N N . THR A 1 143 ? 11.432 56.833 31.702 1.00 32.32 ? 143 THR A N 1 +ATOM 1147 C CA . THR A 1 143 ? 11.096 55.433 31.549 1.00 26.62 ? 143 THR A CA 1 +ATOM 1148 C C . THR A 1 143 ? 9.747 55.153 32.177 1.00 30.47 ? 143 THR A C 1 +ATOM 1149 O O . THR A 1 143 ? 8.929 54.405 31.633 1.00 34.95 ? 143 THR A O 1 +ATOM 1150 C CB . THR A 1 143 ? 12.129 54.590 32.235 1.00 24.47 ? 143 THR A CB 1 +ATOM 1151 O OG1 . THR A 1 143 ? 13.410 54.866 31.655 1.00 17.49 ? 143 THR A OG1 1 +ATOM 1152 C CG2 . THR A 1 143 ? 11.786 53.120 32.120 1.00 23.49 ? 143 THR A CG2 1 +ATOM 1153 N N . LYS A 1 144 ? 9.507 55.778 33.321 1.00 31.90 ? 144 LYS A N 1 +ATOM 1154 C CA . LYS A 1 144 ? 8.256 55.601 34.017 1.00 28.41 ? 144 LYS A CA 1 +ATOM 1155 C C . LYS A 1 144 ? 7.135 55.982 33.060 1.00 29.81 ? 144 LYS A C 1 +ATOM 1156 O O . LYS A 1 144 ? 6.204 55.204 32.851 1.00 31.10 ? 144 LYS A O 1 +ATOM 1157 C CB . LYS A 1 144 ? 8.225 56.474 35.274 1.00 30.71 ? 144 LYS A CB 1 +ATOM 1158 C CG . LYS A 1 144 ? 7.044 56.187 36.180 1.00 32.56 ? 144 LYS A CG 1 +ATOM 1159 C CD . LYS A 1 144 ? 6.990 57.110 37.385 1.00 36.07 ? 144 LYS A CD 1 +ATOM 1160 C CE . LYS A 1 144 ? 5.668 56.921 38.120 1.00 43.65 ? 144 LYS A CE 1 +ATOM 1161 N NZ . LYS A 1 144 ? 5.563 57.740 39.361 1.00 52.92 ? 144 LYS A NZ 1 +ATOM 1162 N N . HIS A 1 145 ? 7.272 57.140 32.418 1.00 33.03 ? 145 HIS A N 1 +ATOM 1163 C CA . HIS A 1 145 ? 6.266 57.623 31.480 1.00 35.65 ? 145 HIS A CA 1 +ATOM 1164 C C . HIS A 1 145 ? 6.063 56.631 30.352 1.00 34.90 ? 145 HIS A C 1 +ATOM 1165 O O . HIS A 1 145 ? 4.931 56.303 29.992 1.00 31.53 ? 145 HIS A O 1 +ATOM 1166 C CB . HIS A 1 145 ? 6.663 58.977 30.881 1.00 49.12 ? 145 HIS A CB 1 +ATOM 1167 C CG . HIS A 1 145 ? 5.601 59.576 29.999 1.00 59.89 ? 145 HIS A CG 1 +ATOM 1168 N ND1 . HIS A 1 145 ? 5.432 59.206 28.684 1.00 60.72 ? 145 HIS A ND1 1 +ATOM 1169 C CD2 . HIS A 1 145 ? 4.623 60.469 30.275 1.00 66.73 ? 145 HIS A CD2 1 +ATOM 1170 C CE1 . HIS A 1 145 ? 4.386 59.845 28.183 1.00 69.83 ? 145 HIS A CE1 1 +ATOM 1171 N NE2 . HIS A 1 145 ? 3.877 60.613 29.123 1.00 71.01 ? 145 HIS A NE2 1 +ATOM 1172 N N . LYS A 1 146 ? 7.170 56.205 29.760 1.00 30.16 ? 146 LYS A N 1 +ATOM 1173 C CA . LYS A 1 146 ? 7.125 55.250 28.674 1.00 27.56 ? 146 LYS A CA 1 +ATOM 1174 C C . LYS A 1 146 ? 6.300 54.024 29.051 1.00 30.55 ? 146 LYS A C 1 +ATOM 1175 O O . LYS A 1 146 ? 5.375 53.642 28.322 1.00 31.74 ? 146 LYS A O 1 +ATOM 1176 C CB . LYS A 1 146 ? 8.531 54.781 28.323 1.00 27.93 ? 146 LYS A CB 1 +ATOM 1177 C CG . LYS A 1 146 ? 9.421 55.802 27.659 1.00 31.31 ? 146 LYS A CG 1 +ATOM 1178 C CD . LYS A 1 146 ? 10.593 55.087 26.990 1.00 28.91 ? 146 LYS A CD 1 +ATOM 1179 C CE . LYS A 1 146 ? 11.531 56.049 26.316 1.00 34.39 ? 146 LYS A CE 1 +ATOM 1180 N NZ . LYS A 1 146 ? 12.649 55.313 25.691 1.00 42.56 ? 146 LYS A NZ 1 +ATOM 1181 N N . TRP A 1 147 ? 6.631 53.425 30.196 1.00 27.95 ? 147 TRP A N 1 +ATOM 1182 C CA . TRP A 1 147 ? 5.967 52.218 30.665 1.00 19.99 ? 147 TRP A CA 1 +ATOM 1183 C C . TRP A 1 147 ? 4.534 52.370 31.105 1.00 20.84 ? 147 TRP A C 1 +ATOM 1184 O O . TRP A 1 147 ? 3.765 51.415 31.030 1.00 24.43 ? 147 TRP A O 1 +ATOM 1185 C CB . TRP A 1 147 ? 6.810 51.544 31.737 1.00 26.53 ? 147 TRP A CB 1 +ATOM 1186 C CG . TRP A 1 147 ? 8.134 51.076 31.191 1.00 30.69 ? 147 TRP A CG 1 +ATOM 1187 C CD1 . TRP A 1 147 ? 8.631 51.305 29.936 1.00 26.76 ? 147 TRP A CD1 1 +ATOM 1188 C CD2 . TRP A 1 147 ? 9.133 50.300 31.884 1.00 36.26 ? 147 TRP A CD2 1 +ATOM 1189 N NE1 . TRP A 1 147 ? 9.869 50.734 29.801 1.00 27.94 ? 147 TRP A NE1 1 +ATOM 1190 C CE2 . TRP A 1 147 ? 10.206 50.106 30.976 1.00 31.47 ? 147 TRP A CE2 1 +ATOM 1191 C CE3 . TRP A 1 147 ? 9.230 49.754 33.179 1.00 34.66 ? 147 TRP A CE3 1 +ATOM 1192 C CZ2 . TRP A 1 147 ? 11.377 49.377 31.322 1.00 29.84 ? 147 TRP A CZ2 1 +ATOM 1193 C CZ3 . TRP A 1 147 ? 10.405 49.022 33.527 1.00 32.40 ? 147 TRP A CZ3 1 +ATOM 1194 C CH2 . TRP A 1 147 ? 11.455 48.846 32.592 1.00 21.23 ? 147 TRP A CH2 1 +ATOM 1195 N N . GLU A 1 148 ? 4.159 53.557 31.562 1.00 26.32 ? 148 GLU A N 1 +ATOM 1196 C CA . GLU A 1 148 ? 2.775 53.794 31.971 1.00 32.17 ? 148 GLU A CA 1 +ATOM 1197 C C . GLU A 1 148 ? 1.946 53.879 30.703 1.00 36.51 ? 148 GLU A C 1 +ATOM 1198 O O . GLU A 1 148 ? 0.831 53.354 30.643 1.00 36.49 ? 148 GLU A O 1 +ATOM 1199 C CB . GLU A 1 148 ? 2.643 55.097 32.769 1.00 43.59 ? 148 GLU A CB 1 +ATOM 1200 C CG . GLU A 1 148 ? 3.356 55.076 34.128 1.00 44.65 ? 148 GLU A CG 1 +ATOM 1201 C CD . GLU A 1 148 ? 3.249 56.396 34.894 1.00 48.80 ? 148 GLU A CD 1 +ATOM 1202 O OE1 . GLU A 1 148 ? 3.412 57.483 34.280 1.00 41.91 ? 148 GLU A OE1 1 +ATOM 1203 O OE2 . GLU A 1 148 ? 3.021 56.331 36.126 1.00 52.12 ? 148 GLU A OE2 1 +ATOM 1204 N N . ALA A 1 149 ? 2.538 54.494 29.674 1.00 45.27 ? 149 ALA A N 1 +ATOM 1205 C CA . ALA A 1 149 ? 1.910 54.670 28.349 1.00 45.65 ? 149 ALA A CA 1 +ATOM 1206 C C . ALA A 1 149 ? 1.705 53.340 27.624 1.00 42.76 ? 149 ALA A C 1 +ATOM 1207 O O . ALA A 1 149 ? 0.656 53.108 27.009 1.00 43.48 ? 149 ALA A O 1 +ATOM 1208 C CB . ALA A 1 149 ? 2.748 55.609 27.476 1.00 36.12 ? 149 ALA A CB 1 +ATOM 1209 N N . ALA A 1 150 ? 2.713 52.478 27.694 1.00 40.28 ? 150 ALA A N 1 +ATOM 1210 C CA . ALA A 1 150 ? 2.658 51.165 27.065 1.00 37.93 ? 150 ALA A CA 1 +ATOM 1211 C C . ALA A 1 150 ? 1.942 50.142 27.943 1.00 40.30 ? 150 ALA A C 1 +ATOM 1212 O O . ALA A 1 150 ? 1.897 48.968 27.601 1.00 44.70 ? 150 ALA A O 1 +ATOM 1213 C CB . ALA A 1 150 ? 4.052 50.680 26.740 1.00 33.20 ? 150 ALA A CB 1 +ATOM 1214 N N . HIS A 1 151 ? 1.402 50.582 29.079 1.00 39.83 ? 151 HIS A N 1 +ATOM 1215 C CA . HIS A 1 151 ? 0.677 49.694 29.990 1.00 40.47 ? 151 HIS A CA 1 +ATOM 1216 C C . HIS A 1 151 ? 1.438 48.415 30.387 1.00 37.58 ? 151 HIS A C 1 +ATOM 1217 O O . HIS A 1 151 ? 0.845 47.354 30.617 1.00 26.43 ? 151 HIS A O 1 +ATOM 1218 C CB . HIS A 1 151 ? -0.711 49.375 29.421 1.00 45.42 ? 151 HIS A CB 1 +ATOM 1219 C CG . HIS A 1 151 ? -1.619 50.567 29.354 1.00 58.59 ? 151 HIS A CG 1 +ATOM 1220 N ND1 . HIS A 1 151 ? -2.758 50.674 30.124 1.00 69.13 ? 151 HIS A ND1 1 +ATOM 1221 C CD2 . HIS A 1 151 ? -1.545 51.713 28.637 1.00 63.67 ? 151 HIS A CD2 1 +ATOM 1222 C CE1 . HIS A 1 151 ? -3.346 51.833 29.887 1.00 71.72 ? 151 HIS A CE1 1 +ATOM 1223 N NE2 . HIS A 1 151 ? -2.631 52.484 28.988 1.00 69.77 ? 151 HIS A NE2 1 +ATOM 1224 N N . VAL A 1 152 ? 2.751 48.571 30.558 1.00 39.62 ? 152 VAL A N 1 +ATOM 1225 C CA . VAL A 1 152 ? 3.667 47.489 30.957 1.00 43.48 ? 152 VAL A CA 1 +ATOM 1226 C C . VAL A 1 152 ? 3.275 46.873 32.317 1.00 49.12 ? 152 VAL A C 1 +ATOM 1227 O O . VAL A 1 152 ? 3.266 45.644 32.499 1.00 50.01 ? 152 VAL A O 1 +ATOM 1228 C CB . VAL A 1 152 ? 5.139 48.020 31.047 1.00 37.62 ? 152 VAL A CB 1 +ATOM 1229 C CG1 . VAL A 1 152 ? 6.077 46.951 31.575 1.00 34.99 ? 152 VAL A CG1 1 +ATOM 1230 C CG2 . VAL A 1 152 ? 5.610 48.496 29.692 1.00 36.15 ? 152 VAL A CG2 1 +ATOM 1231 N N . ALA A 1 153 ? 2.956 47.731 33.280 1.00 49.95 ? 153 ALA A N 1 +ATOM 1232 C CA . ALA A 1 153 ? 2.564 47.255 34.598 1.00 46.09 ? 153 ALA A CA 1 +ATOM 1233 C C . ALA A 1 153 ? 1.412 46.256 34.491 1.00 41.41 ? 153 ALA A C 1 +ATOM 1234 O O . ALA A 1 153 ? 1.485 45.175 35.059 1.00 36.15 ? 153 ALA A O 1 +ATOM 1235 C CB . ALA A 1 153 ? 2.168 48.422 35.476 1.00 48.16 ? 153 ALA A CB 1 +ATOM 1236 N N . GLU A 1 154 ? 0.392 46.589 33.696 1.00 44.40 ? 154 GLU A N 1 +ATOM 1237 C CA . GLU A 1 154 ? -0.787 45.735 33.518 1.00 42.56 ? 154 GLU A CA 1 +ATOM 1238 C C . GLU A 1 154 ? -0.480 44.374 32.953 1.00 36.72 ? 154 GLU A C 1 +ATOM 1239 O O . GLU A 1 154 ? -1.260 43.445 33.110 1.00 40.54 ? 154 GLU A O 1 +ATOM 1240 C CB . GLU A 1 154 ? -1.829 46.423 32.651 1.00 47.46 ? 154 GLU A CB 1 +ATOM 1241 C CG . GLU A 1 154 ? -2.259 47.776 33.211 1.00 62.61 ? 154 GLU A CG 1 +ATOM 1242 C CD . GLU A 1 154 ? -3.289 48.492 32.355 1.00 75.25 ? 154 GLU A CD 1 +ATOM 1243 O OE1 . GLU A 1 154 ? -3.732 47.932 31.301 1.00 85.22 ? 154 GLU A OE1 1 +ATOM 1244 O OE2 . GLU A 1 154 ? -3.662 49.646 32.728 1.00 75.79 ? 154 GLU A OE2 1 +ATOM 1245 N N . GLN A 1 155 ? 0.647 44.253 32.273 1.00 33.98 ? 155 GLN A N 1 +ATOM 1246 C CA . GLN A 1 155 ? 1.040 42.969 31.732 1.00 29.12 ? 155 GLN A CA 1 +ATOM 1247 C C . GLN A 1 155 ? 1.869 42.232 32.793 1.00 28.40 ? 155 GLN A C 1 +ATOM 1248 O O . GLN A 1 155 ? 1.747 41.019 32.945 1.00 32.32 ? 155 GLN A O 1 +ATOM 1249 C CB . GLN A 1 155 ? 1.851 43.137 30.450 1.00 29.41 ? 155 GLN A CB 1 +ATOM 1250 C CG . GLN A 1 155 ? 1.941 41.867 29.615 1.00 28.21 ? 155 GLN A CG 1 +ATOM 1251 C CD . GLN A 1 155 ? 0.691 41.602 28.808 1.00 29.59 ? 155 GLN A CD 1 +ATOM 1252 O OE1 . GLN A 1 155 ? 0.326 42.385 27.935 1.00 37.70 ? 155 GLN A OE1 1 +ATOM 1253 N NE2 . GLN A 1 155 ? 0.037 40.488 29.081 1.00 32.74 ? 155 GLN A NE2 1 +ATOM 1254 N N . LEU A 1 156 ? 2.714 42.952 33.530 1.00 26.54 ? 156 LEU A N 1 +ATOM 1255 C CA . LEU A 1 156 ? 3.524 42.309 34.572 1.00 23.35 ? 156 LEU A CA 1 +ATOM 1256 C C . LEU A 1 156 ? 2.591 41.748 35.627 1.00 26.96 ? 156 LEU A C 1 +ATOM 1257 O O . LEU A 1 156 ? 2.764 40.623 36.085 1.00 28.02 ? 156 LEU A O 1 +ATOM 1258 C CB . LEU A 1 156 ? 4.489 43.294 35.225 1.00 14.83 ? 156 LEU A CB 1 +ATOM 1259 C CG . LEU A 1 156 ? 5.930 43.278 34.741 1.00 10.98 ? 156 LEU A CG 1 +ATOM 1260 C CD1 . LEU A 1 156 ? 6.654 44.509 35.204 1.00 10.33 ? 156 LEU A CD1 1 +ATOM 1261 C CD2 . LEU A 1 156 ? 6.622 42.031 35.213 1.00 7.66 ? 156 LEU A CD2 1 +ATOM 1262 N N . ARG A 1 157 ? 1.585 42.535 35.988 1.00 27.72 ? 157 ARG A N 1 +ATOM 1263 C CA . ARG A 1 157 ? 0.614 42.130 36.987 1.00 32.62 ? 157 ARG A CA 1 +ATOM 1264 C C . ARG A 1 157 ? -0.009 40.790 36.629 1.00 31.80 ? 157 ARG A C 1 +ATOM 1265 O O . ARG A 1 157 ? -0.190 39.937 37.499 1.00 33.93 ? 157 ARG A O 1 +ATOM 1266 C CB . ARG A 1 157 ? -0.493 43.175 37.137 1.00 41.20 ? 157 ARG A CB 1 +ATOM 1267 C CG . ARG A 1 157 ? -1.285 42.984 38.413 1.00 49.38 ? 157 ARG A CG 1 +ATOM 1268 C CD . ARG A 1 157 ? -2.626 43.684 38.422 1.00 55.27 ? 157 ARG A CD 1 +ATOM 1269 N NE . ARG A 1 157 ? -3.250 43.468 39.720 1.00 62.81 ? 157 ARG A NE 1 +ATOM 1270 C CZ . ARG A 1 157 ? -3.918 44.388 40.402 1.00 67.00 ? 157 ARG A CZ 1 +ATOM 1271 N NH1 . ARG A 1 157 ? -4.086 45.595 39.898 1.00 62.82 ? 157 ARG A NH1 1 +ATOM 1272 N NH2 . ARG A 1 157 ? -4.271 44.154 41.662 1.00 69.44 ? 157 ARG A NH2 1 +ATOM 1273 N N . ALA A 1 158 ? -0.331 40.601 35.355 1.00 27.82 ? 158 ALA A N 1 +ATOM 1274 C CA . ALA A 1 158 ? -0.938 39.357 34.915 1.00 24.83 ? 158 ALA A CA 1 +ATOM 1275 C C . ALA A 1 158 ? 0.079 38.224 34.938 1.00 25.12 ? 158 ALA A C 1 +ATOM 1276 O O . ALA A 1 158 ? -0.291 37.052 35.011 1.00 27.06 ? 158 ALA A O 1 +ATOM 1277 C CB . ALA A 1 158 ? -1.541 39.523 33.531 1.00 25.99 ? 158 ALA A CB 1 +ATOM 1278 N N . TYR A 1 159 ? 1.360 38.571 34.857 1.00 23.59 ? 159 TYR A N 1 +ATOM 1279 C CA . TYR A 1 159 ? 2.422 37.582 34.893 1.00 22.54 ? 159 TYR A CA 1 +ATOM 1280 C C . TYR A 1 159 ? 2.663 37.153 36.347 1.00 26.63 ? 159 TYR A C 1 +ATOM 1281 O O . TYR A 1 159 ? 2.585 35.967 36.677 1.00 23.76 ? 159 TYR A O 1 +ATOM 1282 C CB . TYR A 1 159 ? 3.722 38.148 34.287 1.00 25.80 ? 159 TYR A CB 1 +ATOM 1283 C CG . TYR A 1 159 ? 4.942 37.280 34.571 1.00 26.62 ? 159 TYR A CG 1 +ATOM 1284 C CD1 . TYR A 1 159 ? 4.987 35.946 34.157 1.00 27.21 ? 159 TYR A CD1 1 +ATOM 1285 C CD2 . TYR A 1 159 ? 6.002 37.757 35.348 1.00 34.31 ? 159 TYR A CD2 1 +ATOM 1286 C CE1 . TYR A 1 159 ? 6.041 35.105 34.515 1.00 19.87 ? 159 TYR A CE1 1 +ATOM 1287 C CE2 . TYR A 1 159 ? 7.072 36.914 35.716 1.00 27.78 ? 159 TYR A CE2 1 +ATOM 1288 C CZ . TYR A 1 159 ? 7.073 35.591 35.295 1.00 22.00 ? 159 TYR A CZ 1 +ATOM 1289 O OH . TYR A 1 159 ? 8.091 34.753 35.672 1.00 21.55 ? 159 TYR A OH 1 +ATOM 1290 N N . LEU A 1 160 ? 2.956 38.132 37.202 1.00 24.74 ? 160 LEU A N 1 +ATOM 1291 C CA . LEU A 1 160 ? 3.235 37.919 38.623 1.00 21.36 ? 160 LEU A CA 1 +ATOM 1292 C C . LEU A 1 160 ? 2.088 37.243 39.378 1.00 21.00 ? 160 LEU A C 1 +ATOM 1293 O O . LEU A 1 160 ? 2.295 36.238 40.062 1.00 25.09 ? 160 LEU A O 1 +ATOM 1294 C CB . LEU A 1 160 ? 3.580 39.258 39.293 1.00 15.39 ? 160 LEU A CB 1 +ATOM 1295 C CG . LEU A 1 160 ? 4.726 40.051 38.660 1.00 13.82 ? 160 LEU A CG 1 +ATOM 1296 C CD1 . LEU A 1 160 ? 4.778 41.477 39.194 1.00 9.75 ? 160 LEU A CD1 1 +ATOM 1297 C CD2 . LEU A 1 160 ? 6.049 39.338 38.881 1.00 12.58 ? 160 LEU A CD2 1 +ATOM 1298 N N . GLU A 1 161 ? 0.885 37.793 39.260 1.00 20.25 ? 161 GLU A N 1 +ATOM 1299 C CA . GLU A 1 161 ? -0.274 37.226 39.940 1.00 26.02 ? 161 GLU A CA 1 +ATOM 1300 C C . GLU A 1 161 ? -0.735 35.895 39.375 1.00 32.68 ? 161 GLU A C 1 +ATOM 1301 O O . GLU A 1 161 ? -1.209 35.040 40.120 1.00 42.25 ? 161 GLU A O 1 +ATOM 1302 C CB . GLU A 1 161 ? -1.461 38.182 39.906 1.00 23.35 ? 161 GLU A CB 1 +ATOM 1303 C CG . GLU A 1 161 ? -1.278 39.455 40.710 1.00 31.48 ? 161 GLU A CG 1 +ATOM 1304 C CD . GLU A 1 161 ? -2.600 40.125 41.056 1.00 34.50 ? 161 GLU A CD 1 +ATOM 1305 O OE1 . GLU A 1 161 ? -3.662 39.473 40.948 1.00 34.82 ? 161 GLU A OE1 1 +ATOM 1306 O OE2 . GLU A 1 161 ? -2.574 41.305 41.457 1.00 42.11 ? 161 GLU A OE2 1 +ATOM 1307 N N . GLY A 1 162 ? -0.626 35.731 38.058 1.00 35.76 ? 162 GLY A N 1 +ATOM 1308 C CA . GLY A 1 162 ? -1.073 34.508 37.413 1.00 32.58 ? 162 GLY A CA 1 +ATOM 1309 C C . GLY A 1 162 ? -0.021 33.505 36.977 1.00 34.74 ? 162 GLY A C 1 +ATOM 1310 O O . GLY A 1 162 ? 0.298 32.573 37.710 1.00 40.02 ? 162 GLY A O 1 +ATOM 1311 N N . THR A 1 163 ? 0.565 33.715 35.808 1.00 35.21 ? 163 THR A N 1 +ATOM 1312 C CA . THR A 1 163 ? 1.537 32.767 35.274 1.00 35.72 ? 163 THR A CA 1 +ATOM 1313 C C . THR A 1 163 ? 2.770 32.444 36.159 1.00 36.49 ? 163 THR A C 1 +ATOM 1314 O O . THR A 1 163 ? 3.169 31.275 36.278 1.00 36.00 ? 163 THR A O 1 +ATOM 1315 C CB . THR A 1 163 ? 1.845 33.053 33.720 1.00 31.66 ? 163 THR A CB 1 +ATOM 1316 O OG1 . THR A 1 163 ? 3.253 33.113 33.453 1.00 27.98 ? 163 THR A OG1 1 +ATOM 1317 C CG2 . THR A 1 163 ? 1.171 34.337 33.240 1.00 33.92 ? 163 THR A CG2 1 +ATOM 1318 N N . CYS A 1 164 ? 3.298 33.437 36.867 1.00 33.91 ? 164 CYS A N 1 +ATOM 1319 C CA . CYS A 1 164 ? 4.456 33.212 37.734 1.00 32.78 ? 164 CYS A CA 1 +ATOM 1320 C C . CYS A 1 164 ? 4.055 32.199 38.819 1.00 36.15 ? 164 CYS A C 1 +ATOM 1321 O O . CYS A 1 164 ? 4.712 31.176 39.039 1.00 34.86 ? 164 CYS A O 1 +ATOM 1322 C CB . CYS A 1 164 ? 4.879 34.530 38.386 1.00 32.11 ? 164 CYS A CB 1 +ATOM 1323 S SG . CYS A 1 164 ? 6.355 34.427 39.457 1.00 35.63 ? 164 CYS A SG 1 +ATOM 1324 N N . VAL A 1 165 ? 2.911 32.450 39.436 1.00 33.97 ? 165 VAL A N 1 +ATOM 1325 C CA . VAL A 1 165 ? 2.421 31.586 40.484 1.00 30.77 ? 165 VAL A CA 1 +ATOM 1326 C C . VAL A 1 165 ? 2.185 30.180 39.960 1.00 32.10 ? 165 VAL A C 1 +ATOM 1327 O O . VAL A 1 165 ? 2.777 29.228 40.456 1.00 33.45 ? 165 VAL A O 1 +ATOM 1328 C CB . VAL A 1 165 ? 1.134 32.164 41.103 1.00 27.78 ? 165 VAL A CB 1 +ATOM 1329 C CG1 . VAL A 1 165 ? 0.501 31.161 42.010 1.00 27.17 ? 165 VAL A CG1 1 +ATOM 1330 C CG2 . VAL A 1 165 ? 1.449 33.433 41.867 1.00 25.00 ? 165 VAL A CG2 1 +ATOM 1331 N N . GLU A 1 166 ? 1.365 30.066 38.920 1.00 37.00 ? 166 GLU A N 1 +ATOM 1332 C CA . GLU A 1 166 ? 1.023 28.779 38.313 1.00 42.44 ? 166 GLU A CA 1 +ATOM 1333 C C . GLU A 1 166 ? 2.236 27.898 38.022 1.00 42.17 ? 166 GLU A C 1 +ATOM 1334 O O . GLU A 1 166 ? 2.208 26.678 38.235 1.00 41.21 ? 166 GLU A O 1 +ATOM 1335 C CB . GLU A 1 166 ? 0.228 29.006 37.018 1.00 53.25 ? 166 GLU A CB 1 +ATOM 1336 C CG . GLU A 1 166 ? -0.290 27.724 36.320 1.00 71.87 ? 166 GLU A CG 1 +ATOM 1337 C CD . GLU A 1 166 ? -1.443 27.033 37.070 1.00 82.74 ? 166 GLU A CD 1 +ATOM 1338 O OE1 . GLU A 1 166 ? -2.265 27.746 37.694 1.00 89.03 ? 166 GLU A OE1 1 +ATOM 1339 O OE2 . GLU A 1 166 ? -1.538 25.781 37.023 1.00 84.94 ? 166 GLU A OE2 1 +ATOM 1340 N N . TRP A 1 167 ? 3.305 28.522 37.547 1.00 39.64 ? 167 TRP A N 1 +ATOM 1341 C CA . TRP A 1 167 ? 4.511 27.794 37.212 1.00 34.51 ? 167 TRP A CA 1 +ATOM 1342 C C . TRP A 1 167 ? 5.310 27.363 38.413 1.00 37.19 ? 167 TRP A C 1 +ATOM 1343 O O . TRP A 1 167 ? 5.896 26.283 38.396 1.00 39.22 ? 167 TRP A O 1 +ATOM 1344 C CB . TRP A 1 167 ? 5.350 28.593 36.207 1.00 34.01 ? 167 TRP A CB 1 +ATOM 1345 C CG . TRP A 1 167 ? 4.768 28.409 34.854 1.00 32.84 ? 167 TRP A CG 1 +ATOM 1346 C CD1 . TRP A 1 167 ? 3.643 29.009 34.363 1.00 29.86 ? 167 TRP A CD1 1 +ATOM 1347 C CD2 . TRP A 1 167 ? 5.106 27.380 33.928 1.00 29.54 ? 167 TRP A CD2 1 +ATOM 1348 N NE1 . TRP A 1 167 ? 3.236 28.388 33.216 1.00 24.45 ? 167 TRP A NE1 1 +ATOM 1349 C CE2 . TRP A 1 167 ? 4.117 27.384 32.922 1.00 30.39 ? 167 TRP A CE2 1 +ATOM 1350 C CE3 . TRP A 1 167 ? 6.146 26.439 33.859 1.00 32.42 ? 167 TRP A CE3 1 +ATOM 1351 C CZ2 . TRP A 1 167 ? 4.131 26.481 31.859 1.00 33.54 ? 167 TRP A CZ2 1 +ATOM 1352 C CZ3 . TRP A 1 167 ? 6.165 25.540 32.804 1.00 34.73 ? 167 TRP A CZ3 1 +ATOM 1353 C CH2 . TRP A 1 167 ? 5.160 25.566 31.816 1.00 35.11 ? 167 TRP A CH2 1 +ATOM 1354 N N . LEU A 1 168 ? 5.310 28.190 39.462 1.00 39.09 ? 168 LEU A N 1 +ATOM 1355 C CA . LEU A 1 168 ? 6.036 27.888 40.698 1.00 34.13 ? 168 LEU A CA 1 +ATOM 1356 C C . LEU A 1 168 ? 5.438 26.638 41.298 1.00 32.93 ? 168 LEU A C 1 +ATOM 1357 O O . LEU A 1 168 ? 6.164 25.747 41.707 1.00 34.99 ? 168 LEU A O 1 +ATOM 1358 C CB . LEU A 1 168 ? 5.934 29.038 41.698 1.00 30.67 ? 168 LEU A CB 1 +ATOM 1359 C CG . LEU A 1 168 ? 6.511 28.865 43.110 1.00 24.83 ? 168 LEU A CG 1 +ATOM 1360 C CD1 . LEU A 1 168 ? 8.013 28.722 43.114 1.00 22.65 ? 168 LEU A CD1 1 +ATOM 1361 C CD2 . LEU A 1 168 ? 6.087 30.062 43.934 1.00 19.99 ? 168 LEU A CD2 1 +ATOM 1362 N N . ARG A 1 169 ? 4.111 26.578 41.342 1.00 30.17 ? 169 ARG A N 1 +ATOM 1363 C CA . ARG A 1 169 ? 3.425 25.411 41.873 1.00 29.02 ? 169 ARG A CA 1 +ATOM 1364 C C . ARG A 1 169 ? 3.855 24.191 41.094 1.00 30.42 ? 169 ARG A C 1 +ATOM 1365 O O . ARG A 1 169 ? 4.099 23.141 41.674 1.00 37.40 ? 169 ARG A O 1 +ATOM 1366 C CB . ARG A 1 169 ? 1.914 25.565 41.757 1.00 28.28 ? 169 ARG A CB 1 +ATOM 1367 C CG . ARG A 1 169 ? 1.347 26.667 42.623 1.00 30.50 ? 169 ARG A CG 1 +ATOM 1368 C CD . ARG A 1 169 ? -0.144 26.771 42.440 1.00 29.21 ? 169 ARG A CD 1 +ATOM 1369 N NE . ARG A 1 169 ? -0.605 28.078 42.880 1.00 32.23 ? 169 ARG A NE 1 +ATOM 1370 C CZ . ARG A 1 169 ? -1.612 28.737 42.321 1.00 34.51 ? 169 ARG A CZ 1 +ATOM 1371 N NH1 . ARG A 1 169 ? -2.262 28.205 41.301 1.00 37.48 ? 169 ARG A NH1 1 +ATOM 1372 N NH2 . ARG A 1 169 ? -1.970 29.931 42.777 1.00 33.86 ? 169 ARG A NH2 1 +ATOM 1373 N N . ARG A 1 170 ? 3.957 24.342 39.777 1.00 35.58 ? 170 ARG A N 1 +ATOM 1374 C CA . ARG A 1 170 ? 4.373 23.251 38.892 1.00 35.85 ? 170 ARG A CA 1 +ATOM 1375 C C . ARG A 1 170 ? 5.764 22.798 39.308 1.00 33.74 ? 170 ARG A C 1 +ATOM 1376 O O . ARG A 1 170 ? 5.978 21.642 39.628 1.00 35.36 ? 170 ARG A O 1 +ATOM 1377 C CB . ARG A 1 170 ? 4.376 23.719 37.412 1.00 31.64 ? 170 ARG A CB 1 +ATOM 1378 N N . TYR A 1 171 ? 6.689 23.744 39.368 1.00 36.06 ? 171 TYR A N 1 +ATOM 1379 C CA . TYR A 1 171 ? 8.064 23.462 39.745 1.00 34.87 ? 171 TYR A CA 1 +ATOM 1380 C C . TYR A 1 171 ? 8.138 22.794 41.117 1.00 35.91 ? 171 TYR A C 1 +ATOM 1381 O O . TYR A 1 171 ? 8.761 21.748 41.285 1.00 37.26 ? 171 TYR A O 1 +ATOM 1382 C CB . TYR A 1 171 ? 8.872 24.760 39.720 1.00 30.82 ? 171 TYR A CB 1 +ATOM 1383 C CG . TYR A 1 171 ? 8.971 25.386 38.341 1.00 37.84 ? 171 TYR A CG 1 +ATOM 1384 C CD1 . TYR A 1 171 ? 8.839 24.610 37.191 1.00 36.00 ? 171 TYR A CD1 1 +ATOM 1385 C CD2 . TYR A 1 171 ? 9.181 26.757 38.184 1.00 39.98 ? 171 TYR A CD2 1 +ATOM 1386 C CE1 . TYR A 1 171 ? 8.911 25.178 35.925 1.00 38.11 ? 171 TYR A CE1 1 +ATOM 1387 C CE2 . TYR A 1 171 ? 9.255 27.338 36.913 1.00 39.50 ? 171 TYR A CE2 1 +ATOM 1388 C CZ . TYR A 1 171 ? 9.114 26.537 35.788 1.00 37.97 ? 171 TYR A CZ 1 +ATOM 1389 O OH . TYR A 1 171 ? 9.156 27.099 34.528 1.00 38.42 ? 171 TYR A OH 1 +ATOM 1390 N N . LEU A 1 172 ? 7.448 23.376 42.085 1.00 35.11 ? 172 LEU A N 1 +ATOM 1391 C CA . LEU A 1 172 ? 7.422 22.841 43.426 1.00 35.60 ? 172 LEU A CA 1 +ATOM 1392 C C . LEU A 1 172 ? 6.968 21.387 43.347 1.00 39.85 ? 172 LEU A C 1 +ATOM 1393 O O . LEU A 1 172 ? 7.692 20.479 43.754 1.00 43.67 ? 172 LEU A O 1 +ATOM 1394 C CB . LEU A 1 172 ? 6.464 23.659 44.312 1.00 28.84 ? 172 LEU A CB 1 +ATOM 1395 C CG . LEU A 1 172 ? 6.821 25.131 44.596 1.00 23.20 ? 172 LEU A CG 1 +ATOM 1396 C CD1 . LEU A 1 172 ? 5.708 25.834 45.348 1.00 12.56 ? 172 LEU A CD1 1 +ATOM 1397 C CD2 . LEU A 1 172 ? 8.124 25.229 45.345 1.00 22.84 ? 172 LEU A CD2 1 +ATOM 1398 N N . GLU A 1 173 ? 5.833 21.160 42.700 1.00 41.08 ? 173 GLU A N 1 +ATOM 1399 C CA . GLU A 1 173 ? 5.288 19.819 42.590 1.00 44.15 ? 173 GLU A CA 1 +ATOM 1400 C C . GLU A 1 173 ? 6.204 18.817 41.877 1.00 48.07 ? 173 GLU A C 1 +ATOM 1401 O O . GLU A 1 173 ? 6.418 17.711 42.378 1.00 55.01 ? 173 GLU A O 1 +ATOM 1402 C CB . GLU A 1 173 ? 3.875 19.860 41.978 1.00 45.29 ? 173 GLU A CB 1 +ATOM 1403 C CG . GLU A 1 173 ? 3.119 18.530 42.016 1.00 60.31 ? 173 GLU A CG 1 +ATOM 1404 C CD . GLU A 1 173 ? 3.048 17.877 43.417 1.00 73.48 ? 173 GLU A CD 1 +ATOM 1405 O OE1 . GLU A 1 173 ? 3.279 18.557 44.446 1.00 79.94 ? 173 GLU A OE1 1 +ATOM 1406 O OE2 . GLU A 1 173 ? 2.752 16.661 43.492 1.00 77.61 ? 173 GLU A OE2 1 +ATOM 1407 N N . ASN A 1 174 ? 6.795 19.203 40.751 1.00 48.91 ? 174 ASN A N 1 +ATOM 1408 C CA . ASN A 1 174 ? 7.676 18.281 40.022 1.00 47.00 ? 174 ASN A CA 1 +ATOM 1409 C C . ASN A 1 174 ? 9.004 18.132 40.751 1.00 45.94 ? 174 ASN A C 1 +ATOM 1410 O O . ASN A 1 174 ? 9.668 17.102 40.639 1.00 46.86 ? 174 ASN A O 1 +ATOM 1411 C CB . ASN A 1 174 ? 7.939 18.755 38.580 1.00 48.97 ? 174 ASN A CB 1 +ATOM 1412 C CG . ASN A 1 174 ? 6.661 18.978 37.780 1.00 50.90 ? 174 ASN A CG 1 +ATOM 1413 O OD1 . ASN A 1 174 ? 6.550 19.950 37.031 1.00 55.15 ? 174 ASN A OD1 1 +ATOM 1414 N ND2 . ASN A 1 174 ? 5.691 18.088 37.937 1.00 50.55 ? 174 ASN A ND2 1 +ATOM 1415 N N . GLY A 1 175 ? 9.396 19.178 41.471 1.00 45.11 ? 175 GLY A N 1 +ATOM 1416 C CA . GLY A 1 175 ? 10.650 19.154 42.204 1.00 50.30 ? 175 GLY A CA 1 +ATOM 1417 C C . GLY A 1 175 ? 10.484 18.859 43.688 1.00 52.79 ? 175 GLY A C 1 +ATOM 1418 O O . GLY A 1 175 ? 11.427 19.024 44.471 1.00 51.17 ? 175 GLY A O 1 +ATOM 1419 N N . LYS A 1 176 ? 9.305 18.364 44.053 1.00 52.16 ? 176 LYS A N 1 +ATOM 1420 C CA . LYS A 1 176 ? 8.945 18.043 45.428 1.00 58.43 ? 176 LYS A CA 1 +ATOM 1421 C C . LYS A 1 176 ? 10.107 17.683 46.347 1.00 60.18 ? 176 LYS A C 1 +ATOM 1422 O O . LYS A 1 176 ? 10.447 18.450 47.254 1.00 62.70 ? 176 LYS A O 1 +ATOM 1423 C CB . LYS A 1 176 ? 7.915 16.916 45.435 1.00 62.46 ? 176 LYS A CB 1 +ATOM 1424 C CG . LYS A 1 176 ? 7.213 16.693 46.774 1.00 65.61 ? 176 LYS A CG 1 +ATOM 1425 C CD . LYS A 1 176 ? 6.132 15.621 46.630 1.00 69.31 ? 176 LYS A CD 1 +ATOM 1426 C CE . LYS A 1 176 ? 5.202 15.582 47.831 1.00 72.32 ? 176 LYS A CE 1 +ATOM 1427 N NZ . LYS A 1 176 ? 3.999 14.744 47.565 1.00 68.47 ? 176 LYS A NZ 1 +ATOM 1428 N N . GLU A 1 177 ? 10.743 16.548 46.068 1.00 58.52 ? 177 GLU A N 1 +ATOM 1429 C CA . GLU A 1 177 ? 11.850 16.075 46.882 1.00 53.22 ? 177 GLU A CA 1 +ATOM 1430 C C . GLU A 1 177 ? 12.915 17.100 47.214 1.00 50.45 ? 177 GLU A C 1 +ATOM 1431 O O . GLU A 1 177 ? 13.388 17.142 48.345 1.00 47.86 ? 177 GLU A O 1 +ATOM 1432 N N . THR A 1 178 ? 13.306 17.904 46.229 1.00 48.17 ? 178 THR A N 1 +ATOM 1433 C CA . THR A 1 178 ? 14.332 18.920 46.429 1.00 50.94 ? 178 THR A CA 1 +ATOM 1434 C C . THR A 1 178 ? 13.796 20.208 47.049 1.00 52.73 ? 178 THR A C 1 +ATOM 1435 O O . THR A 1 178 ? 14.287 20.673 48.080 1.00 56.83 ? 178 THR A O 1 +ATOM 1436 C CB . THR A 1 178 ? 15.023 19.298 45.084 1.00 52.55 ? 178 THR A CB 1 +ATOM 1437 O OG1 . THR A 1 178 ? 15.734 18.166 44.572 1.00 55.39 ? 178 THR A OG1 1 +ATOM 1438 C CG2 . THR A 1 178 ? 15.998 20.472 45.257 1.00 50.19 ? 178 THR A CG2 1 +ATOM 1439 N N . LEU A 1 179 ? 12.799 20.791 46.398 1.00 51.21 ? 179 LEU A N 1 +ATOM 1440 C CA . LEU A 1 179 ? 12.226 22.058 46.832 1.00 46.68 ? 179 LEU A CA 1 +ATOM 1441 C C . LEU A 1 179 ? 11.506 22.066 48.168 1.00 45.03 ? 179 LEU A C 1 +ATOM 1442 O O . LEU A 1 179 ? 11.686 22.987 48.969 1.00 43.43 ? 179 LEU A O 1 +ATOM 1443 C CB . LEU A 1 179 ? 11.304 22.590 45.740 1.00 44.15 ? 179 LEU A CB 1 +ATOM 1444 C CG . LEU A 1 179 ? 12.016 22.763 44.405 1.00 42.03 ? 179 LEU A CG 1 +ATOM 1445 C CD1 . LEU A 1 179 ? 11.023 23.204 43.342 1.00 46.71 ? 179 LEU A CD1 1 +ATOM 1446 C CD2 . LEU A 1 179 ? 13.145 23.769 44.579 1.00 34.31 ? 179 LEU A CD2 1 +ATOM 1447 N N . GLN A 1 180 ? 10.661 21.071 48.396 1.00 44.13 ? 180 GLN A N 1 +ATOM 1448 C CA . GLN A 1 180 ? 9.909 21.009 49.636 1.00 47.24 ? 180 GLN A CA 1 +ATOM 1449 C C . GLN A 1 180 ? 10.678 20.278 50.744 1.00 49.52 ? 180 GLN A C 1 +ATOM 1450 O O . GLN A 1 180 ? 10.211 19.273 51.291 1.00 50.99 ? 180 GLN A O 1 +ATOM 1451 C CB . GLN A 1 180 ? 8.548 20.369 49.370 1.00 47.73 ? 180 GLN A CB 1 +ATOM 1452 C CG . GLN A 1 180 ? 7.662 21.193 48.464 1.00 46.29 ? 180 GLN A CG 1 +ATOM 1453 C CD . GLN A 1 180 ? 6.260 20.643 48.381 1.00 55.18 ? 180 GLN A CD 1 +ATOM 1454 O OE1 . GLN A 1 180 ? 5.749 20.388 47.294 1.00 62.17 ? 180 GLN A OE1 1 +ATOM 1455 N NE2 . GLN A 1 180 ? 5.630 20.441 49.535 1.00 58.78 ? 180 GLN A NE2 1 +ATOM 1456 N N . ARG A 1 181 ? 11.854 20.796 51.084 1.00 49.29 ? 181 ARG A N 1 +ATOM 1457 C CA . ARG A 1 181 ? 12.672 20.175 52.116 1.00 47.24 ? 181 ARG A CA 1 +ATOM 1458 C C . ARG A 1 181 ? 13.319 21.190 53.052 1.00 45.77 ? 181 ARG A C 1 +ATOM 1459 O O . ARG A 1 181 ? 13.522 22.362 52.702 1.00 39.32 ? 181 ARG A O 1 +ATOM 1460 C CB . ARG A 1 181 ? 13.752 19.279 51.498 1.00 46.81 ? 181 ARG A CB 1 +ATOM 1461 C CG . ARG A 1 181 ? 15.029 20.011 51.114 1.00 51.99 ? 181 ARG A CG 1 +ATOM 1462 C CD . ARG A 1 181 ? 16.052 19.070 50.512 1.00 57.90 ? 181 ARG A CD 1 +ATOM 1463 N NE . ARG A 1 181 ? 17.378 19.682 50.477 1.00 63.94 ? 181 ARG A NE 1 +ATOM 1464 C CZ . ARG A 1 181 ? 17.726 20.702 49.696 1.00 65.10 ? 181 ARG A CZ 1 +ATOM 1465 N NH1 . ARG A 1 181 ? 16.846 21.248 48.864 1.00 60.87 ? 181 ARG A NH1 1 +ATOM 1466 N NH2 . ARG A 1 181 ? 18.969 21.168 49.741 1.00 65.16 ? 181 ARG A NH2 1 +ATOM 1467 N N . THR A 1 182 ? 13.662 20.691 54.235 1.00 46.69 ? 182 THR A N 1 +ATOM 1468 C CA . THR A 1 182 ? 14.289 21.478 55.272 1.00 47.41 ? 182 THR A CA 1 +ATOM 1469 C C . THR A 1 182 ? 15.373 20.681 55.966 1.00 46.61 ? 182 THR A C 1 +ATOM 1470 O O . THR A 1 182 ? 15.098 19.755 56.730 1.00 50.82 ? 182 THR A O 1 +ATOM 1471 C CB . THR A 1 182 ? 13.274 21.912 56.327 1.00 49.37 ? 182 THR A CB 1 +ATOM 1472 O OG1 . THR A 1 182 ? 12.231 22.674 55.703 1.00 54.13 ? 182 THR A OG1 1 +ATOM 1473 C CG2 . THR A 1 182 ? 13.954 22.753 57.385 1.00 51.16 ? 182 THR A CG2 1 +ATOM 1474 N N . ASP A 1 183 ? 16.612 21.031 55.661 1.00 48.04 ? 183 ASP A N 1 +ATOM 1475 C CA . ASP A 1 183 ? 17.768 20.399 56.263 1.00 46.03 ? 183 ASP A CA 1 +ATOM 1476 C C . ASP A 1 183 ? 18.209 21.328 57.395 1.00 44.61 ? 183 ASP A C 1 +ATOM 1477 O O . ASP A 1 183 ? 18.564 22.487 57.156 1.00 44.63 ? 183 ASP A O 1 +ATOM 1478 C CB . ASP A 1 183 ? 18.883 20.250 55.224 1.00 48.60 ? 183 ASP A CB 1 +ATOM 1479 C CG . ASP A 1 183 ? 18.535 19.252 54.124 1.00 55.68 ? 183 ASP A CG 1 +ATOM 1480 O OD1 . ASP A 1 183 ? 17.521 18.529 54.266 1.00 58.30 ? 183 ASP A OD1 1 +ATOM 1481 O OD2 . ASP A 1 183 ? 19.286 19.180 53.121 1.00 60.96 ? 183 ASP A OD2 1 +ATOM 1482 N N . ALA A 1 184 ? 18.087 20.862 58.632 1.00 40.60 ? 184 ALA A N 1 +ATOM 1483 C CA . ALA A 1 184 ? 18.486 21.677 59.776 1.00 37.27 ? 184 ALA A CA 1 +ATOM 1484 C C . ALA A 1 184 ? 20.006 21.701 59.837 1.00 33.05 ? 184 ALA A C 1 +ATOM 1485 O O . ALA A 1 184 ? 20.674 20.826 59.291 1.00 33.98 ? 184 ALA A O 1 +ATOM 1486 C CB . ALA A 1 184 ? 17.896 21.122 61.082 1.00 41.27 ? 184 ALA A CB 1 +ATOM 1487 N N . PRO A 1 185 ? 20.572 22.722 60.482 1.00 30.20 ? 185 PRO A N 1 +ATOM 1488 C CA . PRO A 1 185 ? 22.028 22.791 60.565 1.00 33.72 ? 185 PRO A CA 1 +ATOM 1489 C C . PRO A 1 185 ? 22.674 21.789 61.524 1.00 38.84 ? 185 PRO A C 1 +ATOM 1490 O O . PRO A 1 185 ? 22.141 21.489 62.601 1.00 36.40 ? 185 PRO A O 1 +ATOM 1491 C CB . PRO A 1 185 ? 22.272 24.240 60.981 1.00 32.85 ? 185 PRO A CB 1 +ATOM 1492 C CG . PRO A 1 185 ? 21.064 24.563 61.801 1.00 32.15 ? 185 PRO A CG 1 +ATOM 1493 C CD . PRO A 1 185 ? 19.939 23.920 61.052 1.00 30.30 ? 185 PRO A CD 1 +ATOM 1494 N N . LYS A 1 186 ? 23.777 21.207 61.063 1.00 39.54 ? 186 LYS A N 1 +ATOM 1495 C CA . LYS A 1 186 ? 24.557 20.267 61.849 1.00 43.53 ? 186 LYS A CA 1 +ATOM 1496 C C . LYS A 1 186 ? 25.615 21.163 62.482 1.00 42.99 ? 186 LYS A C 1 +ATOM 1497 O O . LYS A 1 186 ? 26.587 21.563 61.835 1.00 42.63 ? 186 LYS A O 1 +ATOM 1498 C CB . LYS A 1 186 ? 25.225 19.214 60.960 1.00 44.25 ? 186 LYS A CB 1 +ATOM 1499 C CG . LYS A 1 186 ? 24.298 18.226 60.270 1.00 44.19 ? 186 LYS A CG 1 +ATOM 1500 C CD . LYS A 1 186 ? 25.134 17.329 59.364 1.00 55.05 ? 186 LYS A CD 1 +ATOM 1501 C CE . LYS A 1 186 ? 24.301 16.590 58.317 1.00 64.44 ? 186 LYS A CE 1 +ATOM 1502 N NZ . LYS A 1 186 ? 25.156 16.192 57.141 1.00 64.23 ? 186 LYS A NZ 1 +ATOM 1503 N N . THR A 1 187 ? 25.394 21.502 63.742 1.00 43.83 ? 187 THR A N 1 +ATOM 1504 C CA . THR A 1 187 ? 26.269 22.389 64.487 1.00 40.53 ? 187 THR A CA 1 +ATOM 1505 C C . THR A 1 187 ? 27.350 21.689 65.317 1.00 39.16 ? 187 THR A C 1 +ATOM 1506 O O . THR A 1 187 ? 27.317 20.466 65.490 1.00 36.78 ? 187 THR A O 1 +ATOM 1507 C CB . THR A 1 187 ? 25.397 23.283 65.389 1.00 43.36 ? 187 THR A CB 1 +ATOM 1508 O OG1 . THR A 1 187 ? 24.362 22.484 65.991 1.00 43.38 ? 187 THR A OG1 1 +ATOM 1509 C CG2 . THR A 1 187 ? 24.732 24.379 64.564 1.00 40.64 ? 187 THR A CG2 1 +ATOM 1510 N N . HIS A 1 188 ? 28.347 22.470 65.749 1.00 38.35 ? 188 HIS A N 1 +ATOM 1511 C CA . HIS A 1 188 ? 29.461 22.002 66.595 1.00 34.02 ? 188 HIS A CA 1 +ATOM 1512 C C . HIS A 1 188 ? 30.331 23.208 66.935 1.00 31.83 ? 188 HIS A C 1 +ATOM 1513 O O . HIS A 1 188 ? 30.122 24.273 66.370 1.00 34.03 ? 188 HIS A O 1 +ATOM 1514 C CB . HIS A 1 188 ? 30.284 20.899 65.915 1.00 36.88 ? 188 HIS A CB 1 +ATOM 1515 C CG . HIS A 1 188 ? 31.216 21.387 64.848 1.00 37.59 ? 188 HIS A CG 1 +ATOM 1516 N ND1 . HIS A 1 188 ? 30.779 21.878 63.638 1.00 36.38 ? 188 HIS A ND1 1 +ATOM 1517 C CD2 . HIS A 1 188 ? 32.569 21.435 64.806 1.00 35.57 ? 188 HIS A CD2 1 +ATOM 1518 C CE1 . HIS A 1 188 ? 31.821 22.209 62.895 1.00 32.68 ? 188 HIS A CE1 1 +ATOM 1519 N NE2 . HIS A 1 188 ? 32.918 21.950 63.583 1.00 31.95 ? 188 HIS A NE2 1 +ATOM 1520 N N . MET A 1 189 ? 31.322 23.047 67.809 1.00 32.67 ? 189 MET A N 1 +ATOM 1521 C CA . MET A 1 189 ? 32.170 24.173 68.198 1.00 27.82 ? 189 MET A CA 1 +ATOM 1522 C C . MET A 1 189 ? 33.661 23.862 68.217 1.00 28.34 ? 189 MET A C 1 +ATOM 1523 O O . MET A 1 189 ? 34.064 22.744 68.524 1.00 26.56 ? 189 MET A O 1 +ATOM 1524 C CB . MET A 1 189 ? 31.735 24.691 69.575 1.00 31.45 ? 189 MET A CB 1 +ATOM 1525 C CG . MET A 1 189 ? 32.270 26.078 69.930 1.00 40.52 ? 189 MET A CG 1 +ATOM 1526 S SD . MET A 1 189 ? 31.619 26.778 71.488 1.00 42.33 ? 189 MET A SD 1 +ATOM 1527 C CE . MET A 1 189 ? 29.924 26.480 71.320 1.00 39.54 ? 189 MET A CE 1 +ATOM 1528 N N . THR A 1 190 ? 34.473 24.827 67.792 1.00 33.73 ? 190 THR A N 1 +ATOM 1529 C CA . THR A 1 190 ? 35.923 24.670 67.812 1.00 37.23 ? 190 THR A CA 1 +ATOM 1530 C C . THR A 1 190 ? 36.573 25.719 68.740 1.00 36.55 ? 190 THR A C 1 +ATOM 1531 O O . THR A 1 190 ? 35.939 26.705 69.156 1.00 31.48 ? 190 THR A O 1 +ATOM 1532 C CB . THR A 1 190 ? 36.584 24.634 66.368 1.00 40.87 ? 190 THR A CB 1 +ATOM 1533 O OG1 . THR A 1 190 ? 36.399 25.880 65.670 1.00 44.65 ? 190 THR A OG1 1 +ATOM 1534 C CG2 . THR A 1 190 ? 35.995 23.502 65.552 1.00 36.57 ? 190 THR A CG2 1 +ATOM 1535 N N . HIS A 1 191 ? 37.838 25.485 69.069 1.00 34.82 ? 191 HIS A N 1 +ATOM 1536 C CA . HIS A 1 191 ? 38.584 26.339 69.973 1.00 32.17 ? 191 HIS A CA 1 +ATOM 1537 C C . HIS A 1 191 ? 39.979 26.575 69.410 1.00 34.82 ? 191 HIS A C 1 +ATOM 1538 O O . HIS A 1 191 ? 40.796 25.661 69.346 1.00 41.03 ? 191 HIS A O 1 +ATOM 1539 C CB . HIS A 1 191 ? 38.668 25.620 71.331 1.00 29.67 ? 191 HIS A CB 1 +ATOM 1540 C CG . HIS A 1 191 ? 39.388 26.383 72.396 1.00 24.92 ? 191 HIS A CG 1 +ATOM 1541 N ND1 . HIS A 1 191 ? 40.740 26.238 72.642 1.00 24.39 ? 191 HIS A ND1 1 +ATOM 1542 C CD2 . HIS A 1 191 ? 38.938 27.275 73.304 1.00 21.71 ? 191 HIS A CD2 1 +ATOM 1543 C CE1 . HIS A 1 191 ? 41.089 27.008 73.654 1.00 22.63 ? 191 HIS A CE1 1 +ATOM 1544 N NE2 . HIS A 1 191 ? 40.013 27.649 74.074 1.00 33.51 ? 191 HIS A NE2 1 +ATOM 1545 N N . HIS A 1 192 ? 40.231 27.787 68.945 1.00 41.15 ? 192 HIS A N 1 +ATOM 1546 C CA . HIS A 1 192 ? 41.537 28.120 68.409 1.00 45.22 ? 192 HIS A CA 1 +ATOM 1547 C C . HIS A 1 192 ? 42.220 29.029 69.414 1.00 49.03 ? 192 HIS A C 1 +ATOM 1548 O O . HIS A 1 192 ? 41.545 29.696 70.200 1.00 51.26 ? 192 HIS A O 1 +ATOM 1549 N N . ALA A 1 193 ? 43.546 29.025 69.433 1.00 51.89 ? 193 ALA A N 1 +ATOM 1550 C CA . ALA A 1 193 ? 44.306 29.866 70.354 1.00 55.24 ? 193 ALA A CA 1 +ATOM 1551 C C . ALA A 1 193 ? 45.764 29.867 69.937 1.00 57.13 ? 193 ALA A C 1 +ATOM 1552 O O . ALA A 1 193 ? 46.360 28.811 69.727 1.00 57.16 ? 193 ALA A O 1 +ATOM 1553 C CB . ALA A 1 193 ? 44.178 29.341 71.778 1.00 54.79 ? 193 ALA A CB 1 +ATOM 1554 N N . VAL A 1 194 ? 46.328 31.053 69.775 1.00 61.37 ? 194 VAL A N 1 +ATOM 1555 C CA . VAL A 1 194 ? 47.728 31.176 69.379 1.00 65.95 ? 194 VAL A CA 1 +ATOM 1556 C C . VAL A 1 194 ? 48.501 31.950 70.448 1.00 66.72 ? 194 VAL A C 1 +ATOM 1557 O O . VAL A 1 194 ? 49.686 32.251 70.287 1.00 63.69 ? 194 VAL A O 1 +ATOM 1558 C CB . VAL A 1 194 ? 47.839 31.865 67.997 1.00 70.79 ? 194 VAL A CB 1 +ATOM 1559 C CG1 . VAL A 1 194 ? 49.293 31.970 67.554 1.00 73.89 ? 194 VAL A CG1 1 +ATOM 1560 C CG2 . VAL A 1 194 ? 47.035 31.079 66.963 1.00 73.04 ? 194 VAL A CG2 1 +ATOM 1561 N N . SER A 1 195 ? 47.828 32.208 71.568 1.00 72.16 ? 195 SER A N 1 +ATOM 1562 C CA . SER A 1 195 ? 48.414 32.937 72.692 1.00 76.41 ? 195 SER A CA 1 +ATOM 1563 C C . SER A 1 195 ? 48.003 32.328 74.036 1.00 76.75 ? 195 SER A C 1 +ATOM 1564 O O . SER A 1 195 ? 47.003 31.607 74.126 1.00 75.80 ? 195 SER A O 1 +ATOM 1565 C CB . SER A 1 195 ? 48.008 34.416 72.646 1.00 79.09 ? 195 SER A CB 1 +ATOM 1566 O OG . SER A 1 195 ? 48.466 35.119 73.796 1.00 81.00 ? 195 SER A OG 1 +ATOM 1567 N N . ASP A 1 196 ? 48.759 32.658 75.081 1.00 75.45 ? 196 ASP A N 1 +ATOM 1568 C CA . ASP A 1 196 ? 48.489 32.144 76.414 1.00 73.57 ? 196 ASP A CA 1 +ATOM 1569 C C . ASP A 1 196 ? 47.580 33.006 77.275 1.00 70.34 ? 196 ASP A C 1 +ATOM 1570 O O . ASP A 1 196 ? 47.752 33.072 78.492 1.00 70.67 ? 196 ASP A O 1 +ATOM 1571 C CB . ASP A 1 196 ? 49.794 31.850 77.148 1.00 75.18 ? 196 ASP A CB 1 +ATOM 1572 C CG . ASP A 1 196 ? 49.922 30.385 77.524 1.00 81.34 ? 196 ASP A CG 1 +ATOM 1573 O OD1 . ASP A 1 196 ? 49.707 29.518 76.646 1.00 84.19 ? 196 ASP A OD1 1 +ATOM 1574 O OD2 . ASP A 1 196 ? 50.224 30.091 78.699 1.00 84.84 ? 196 ASP A OD2 1 +ATOM 1575 N N . HIS A 1 197 ? 46.615 33.668 76.644 1.00 65.64 ? 197 HIS A N 1 +ATOM 1576 C CA . HIS A 1 197 ? 45.663 34.497 77.373 1.00 63.57 ? 197 HIS A CA 1 +ATOM 1577 C C . HIS A 1 197 ? 44.363 34.687 76.609 1.00 58.45 ? 197 HIS A C 1 +ATOM 1578 O O . HIS A 1 197 ? 43.343 35.014 77.204 1.00 58.25 ? 197 HIS A O 1 +ATOM 1579 C CB . HIS A 1 197 ? 46.270 35.857 77.765 1.00 70.21 ? 197 HIS A CB 1 +ATOM 1580 C CG . HIS A 1 197 ? 46.411 36.827 76.631 1.00 77.99 ? 197 HIS A CG 1 +ATOM 1581 N ND1 . HIS A 1 197 ? 47.371 36.701 75.650 1.00 81.33 ? 197 HIS A ND1 1 +ATOM 1582 C CD2 . HIS A 1 197 ? 45.733 37.968 76.344 1.00 81.07 ? 197 HIS A CD2 1 +ATOM 1583 C CE1 . HIS A 1 197 ? 47.280 37.716 74.808 1.00 79.97 ? 197 HIS A CE1 1 +ATOM 1584 N NE2 . HIS A 1 197 ? 46.293 38.499 75.208 1.00 81.39 ? 197 HIS A NE2 1 +ATOM 1585 N N . GLU A 1 198 ? 44.409 34.452 75.297 1.00 54.78 ? 198 GLU A N 1 +ATOM 1586 C CA . GLU A 1 198 ? 43.255 34.595 74.409 1.00 47.53 ? 198 GLU A CA 1 +ATOM 1587 C C . GLU A 1 198 ? 43.106 33.372 73.528 1.00 44.95 ? 198 GLU A C 1 +ATOM 1588 O O . GLU A 1 198 ? 44.071 32.921 72.894 1.00 44.62 ? 198 GLU A O 1 +ATOM 1589 C CB . GLU A 1 198 ? 43.408 35.816 73.494 1.00 47.17 ? 198 GLU A CB 1 +ATOM 1590 C CG . GLU A 1 198 ? 42.947 37.133 74.094 1.00 52.74 ? 198 GLU A CG 1 +ATOM 1591 C CD . GLU A 1 198 ? 43.024 38.295 73.115 1.00 54.99 ? 198 GLU A CD 1 +ATOM 1592 O OE1 . GLU A 1 198 ? 44.028 38.409 72.373 1.00 50.92 ? 198 GLU A OE1 1 +ATOM 1593 O OE2 . GLU A 1 198 ? 42.067 39.100 73.105 1.00 57.87 ? 198 GLU A OE2 1 +ATOM 1594 N N . ALA A 1 199 ? 41.880 32.870 73.463 1.00 41.22 ? 199 ALA A N 1 +ATOM 1595 C CA . ALA A 1 199 ? 41.539 31.710 72.649 1.00 38.63 ? 199 ALA A CA 1 +ATOM 1596 C C . ALA A 1 199 ? 40.272 32.078 71.893 1.00 37.22 ? 199 ALA A C 1 +ATOM 1597 O O . ALA A 1 199 ? 39.332 32.607 72.482 1.00 39.22 ? 199 ALA A O 1 +ATOM 1598 C CB . ALA A 1 199 ? 41.289 30.493 73.531 1.00 37.27 ? 199 ALA A CB 1 +ATOM 1599 N N . THR A 1 200 ? 40.260 31.826 70.591 1.00 34.59 ? 200 THR A N 1 +ATOM 1600 C CA . THR A 1 200 ? 39.109 32.134 69.762 1.00 34.82 ? 200 THR A CA 1 +ATOM 1601 C C . THR A 1 200 ? 38.145 30.959 69.749 1.00 32.29 ? 200 THR A C 1 +ATOM 1602 O O . THR A 1 200 ? 38.542 29.826 69.476 1.00 30.94 ? 200 THR A O 1 +ATOM 1603 C CB . THR A 1 200 ? 39.557 32.450 68.326 1.00 42.76 ? 200 THR A CB 1 +ATOM 1604 O OG1 . THR A 1 200 ? 40.622 33.415 68.360 1.00 48.66 ? 200 THR A OG1 1 +ATOM 1605 C CG2 . THR A 1 200 ? 38.390 33.010 67.505 1.00 43.16 ? 200 THR A CG2 1 +ATOM 1606 N N . LEU A 1 201 ? 36.879 31.235 70.033 1.00 26.65 ? 201 LEU A N 1 +ATOM 1607 C CA . LEU A 1 201 ? 35.850 30.206 70.076 1.00 30.30 ? 201 LEU A CA 1 +ATOM 1608 C C . LEU A 1 201 ? 34.922 30.358 68.858 1.00 34.31 ? 201 LEU A C 1 +ATOM 1609 O O . LEU A 1 201 ? 34.178 31.349 68.775 1.00 35.59 ? 201 LEU A O 1 +ATOM 1610 C CB . LEU A 1 201 ? 35.056 30.384 71.368 1.00 27.92 ? 201 LEU A CB 1 +ATOM 1611 C CG . LEU A 1 201 ? 34.693 29.196 72.253 1.00 22.60 ? 201 LEU A CG 1 +ATOM 1612 C CD1 . LEU A 1 201 ? 35.919 28.443 72.703 1.00 17.54 ? 201 LEU A CD1 1 +ATOM 1613 C CD2 . LEU A 1 201 ? 33.971 29.767 73.446 1.00 20.61 ? 201 LEU A CD2 1 +ATOM 1614 N N . ARG A 1 202 ? 34.948 29.382 67.937 1.00 31.37 ? 202 ARG A N 1 +ATOM 1615 C CA . ARG A 1 202 ? 34.134 29.419 66.705 1.00 25.69 ? 202 ARG A CA 1 +ATOM 1616 C C . ARG A 1 202 ? 32.967 28.445 66.714 1.00 22.71 ? 202 ARG A C 1 +ATOM 1617 O O . ARG A 1 202 ? 33.151 27.257 66.913 1.00 28.11 ? 202 ARG A O 1 +ATOM 1618 C CB . ARG A 1 202 ? 35.017 29.145 65.485 1.00 28.04 ? 202 ARG A CB 1 +ATOM 1619 C CG . ARG A 1 202 ? 34.299 29.201 64.128 1.00 33.03 ? 202 ARG A CG 1 +ATOM 1620 C CD . ARG A 1 202 ? 35.294 29.338 62.960 1.00 33.00 ? 202 ARG A CD 1 +ATOM 1621 N NE . ARG A 1 202 ? 36.001 30.625 63.004 1.00 37.79 ? 202 ARG A NE 1 +ATOM 1622 C CZ . ARG A 1 202 ? 37.326 30.767 63.029 1.00 38.77 ? 202 ARG A CZ 1 +ATOM 1623 N NH1 . ARG A 1 202 ? 38.119 29.702 63.008 1.00 40.22 ? 202 ARG A NH1 1 +ATOM 1624 N NH2 . ARG A 1 202 ? 37.866 31.979 63.100 1.00 36.20 ? 202 ARG A NH2 1 +ATOM 1625 N N . CYS A 1 203 ? 31.768 28.951 66.466 1.00 19.09 ? 203 CYS A N 1 +ATOM 1626 C CA . CYS A 1 203 ? 30.557 28.142 66.462 1.00 21.27 ? 203 CYS A CA 1 +ATOM 1627 C C . CYS A 1 203 ? 30.074 27.955 65.035 1.00 26.51 ? 203 CYS A C 1 +ATOM 1628 O O . CYS A 1 203 ? 29.844 28.934 64.333 1.00 31.47 ? 203 CYS A O 1 +ATOM 1629 C CB . CYS A 1 203 ? 29.490 28.838 67.280 1.00 20.91 ? 203 CYS A CB 1 +ATOM 1630 S SG . CYS A 1 203 ? 27.855 28.076 67.163 1.00 36.86 ? 203 CYS A SG 1 +ATOM 1631 N N . TRP A 1 204 ? 29.871 26.702 64.630 1.00 30.54 ? 204 TRP A N 1 +ATOM 1632 C CA . TRP A 1 204 ? 29.473 26.369 63.260 1.00 27.85 ? 204 TRP A CA 1 +ATOM 1633 C C . TRP A 1 204 ? 28.055 25.927 62.977 1.00 27.06 ? 204 TRP A C 1 +ATOM 1634 O O . TRP A 1 204 ? 27.399 25.310 63.800 1.00 29.48 ? 204 TRP A O 1 +ATOM 1635 C CB . TRP A 1 204 ? 30.365 25.260 62.723 1.00 25.87 ? 204 TRP A CB 1 +ATOM 1636 C CG . TRP A 1 204 ? 31.782 25.603 62.611 1.00 28.19 ? 204 TRP A CG 1 +ATOM 1637 C CD1 . TRP A 1 204 ? 32.671 25.732 63.624 1.00 32.60 ? 204 TRP A CD1 1 +ATOM 1638 C CD2 . TRP A 1 204 ? 32.513 25.798 61.403 1.00 34.29 ? 204 TRP A CD2 1 +ATOM 1639 N NE1 . TRP A 1 204 ? 33.923 25.993 63.128 1.00 38.36 ? 204 TRP A NE1 1 +ATOM 1640 C CE2 . TRP A 1 204 ? 33.856 26.036 61.763 1.00 39.39 ? 204 TRP A CE2 1 +ATOM 1641 C CE3 . TRP A 1 204 ? 32.165 25.789 60.045 1.00 35.29 ? 204 TRP A CE3 1 +ATOM 1642 C CZ2 . TRP A 1 204 ? 34.856 26.262 60.818 1.00 45.03 ? 204 TRP A CZ2 1 +ATOM 1643 C CZ3 . TRP A 1 204 ? 33.150 26.012 59.109 1.00 38.75 ? 204 TRP A CZ3 1 +ATOM 1644 C CH2 . TRP A 1 204 ? 34.485 26.246 59.496 1.00 44.04 ? 204 TRP A CH2 1 +ATOM 1645 N N . ALA A 1 205 ? 27.667 26.115 61.725 1.00 27.66 ? 205 ALA A N 1 +ATOM 1646 C CA . ALA A 1 205 ? 26.370 25.705 61.222 1.00 27.66 ? 205 ALA A CA 1 +ATOM 1647 C C . ALA A 1 205 ? 26.652 25.241 59.777 1.00 32.71 ? 205 ALA A C 1 +ATOM 1648 O O . ALA A 1 205 ? 27.097 26.029 58.927 1.00 33.59 ? 205 ALA A O 1 +ATOM 1649 C CB . ALA A 1 205 ? 25.404 26.866 61.255 1.00 22.35 ? 205 ALA A CB 1 +ATOM 1650 N N . LEU A 1 206 ? 26.493 23.944 59.528 1.00 31.28 ? 206 LEU A N 1 +ATOM 1651 C CA . LEU A 1 206 ? 26.752 23.388 58.204 1.00 30.09 ? 206 LEU A CA 1 +ATOM 1652 C C . LEU A 1 206 ? 25.585 22.546 57.682 1.00 29.36 ? 206 LEU A C 1 +ATOM 1653 O O . LEU A 1 206 ? 24.664 22.230 58.431 1.00 28.76 ? 206 LEU A O 1 +ATOM 1654 C CB . LEU A 1 206 ? 28.006 22.523 58.243 1.00 29.24 ? 206 LEU A CB 1 +ATOM 1655 C CG . LEU A 1 206 ? 29.235 23.120 58.920 1.00 33.69 ? 206 LEU A CG 1 +ATOM 1656 C CD1 . LEU A 1 206 ? 30.357 22.084 59.025 1.00 37.70 ? 206 LEU A CD1 1 +ATOM 1657 C CD2 . LEU A 1 206 ? 29.688 24.338 58.160 1.00 33.25 ? 206 LEU A CD2 1 +ATOM 1658 N N . SER A 1 207 ? 25.623 22.235 56.386 1.00 30.11 ? 207 SER A N 1 +ATOM 1659 C CA . SER A 1 207 ? 24.620 21.420 55.702 1.00 29.47 ? 207 SER A CA 1 +ATOM 1660 C C . SER A 1 207 ? 23.159 21.796 55.950 1.00 24.30 ? 207 SER A C 1 +ATOM 1661 O O . SER A 1 207 ? 22.298 20.917 56.046 1.00 23.58 ? 207 SER A O 1 +ATOM 1662 C CB . SER A 1 207 ? 24.846 19.948 56.044 1.00 35.35 ? 207 SER A CB 1 +ATOM 1663 O OG . SER A 1 207 ? 26.234 19.643 55.992 1.00 49.11 ? 207 SER A OG 1 +ATOM 1664 N N . PHE A 1 208 ? 22.881 23.095 56.019 1.00 20.35 ? 208 PHE A N 1 +ATOM 1665 C CA . PHE A 1 208 ? 21.523 23.560 56.252 1.00 18.50 ? 208 PHE A CA 1 +ATOM 1666 C C . PHE A 1 208 ? 20.896 24.155 55.014 1.00 24.74 ? 208 PHE A C 1 +ATOM 1667 O O . PHE A 1 208 ? 21.593 24.668 54.132 1.00 23.98 ? 208 PHE A O 1 +ATOM 1668 C CB . PHE A 1 208 ? 21.462 24.563 57.400 1.00 19.69 ? 208 PHE A CB 1 +ATOM 1669 C CG . PHE A 1 208 ? 22.264 25.810 57.173 1.00 23.09 ? 208 PHE A CG 1 +ATOM 1670 C CD1 . PHE A 1 208 ? 21.709 26.897 56.502 1.00 26.01 ? 208 PHE A CD1 1 +ATOM 1671 C CD2 . PHE A 1 208 ? 23.561 25.911 57.656 1.00 24.50 ? 208 PHE A CD2 1 +ATOM 1672 C CE1 . PHE A 1 208 ? 22.432 28.065 56.317 1.00 18.89 ? 208 PHE A CE1 1 +ATOM 1673 C CE2 . PHE A 1 208 ? 24.297 27.075 57.478 1.00 26.12 ? 208 PHE A CE2 1 +ATOM 1674 C CZ . PHE A 1 208 ? 23.729 28.154 56.807 1.00 28.34 ? 208 PHE A CZ 1 +ATOM 1675 N N . TYR A 1 209 ? 19.575 24.029 54.950 1.00 28.51 ? 209 TYR A N 1 +ATOM 1676 C CA . TYR A 1 209 ? 18.764 24.521 53.850 1.00 28.82 ? 209 TYR A CA 1 +ATOM 1677 C C . TYR A 1 209 ? 17.360 24.704 54.399 1.00 32.95 ? 209 TYR A C 1 +ATOM 1678 O O . TYR A 1 209 ? 16.875 23.869 55.159 1.00 35.34 ? 209 TYR A O 1 +ATOM 1679 C CB . TYR A 1 209 ? 18.711 23.515 52.689 1.00 31.67 ? 209 TYR A CB 1 +ATOM 1680 C CG . TYR A 1 209 ? 17.949 24.057 51.486 1.00 28.02 ? 209 TYR A CG 1 +ATOM 1681 C CD1 . TYR A 1 209 ? 18.599 24.824 50.509 1.00 25.75 ? 209 TYR A CD1 1 +ATOM 1682 C CD2 . TYR A 1 209 ? 16.563 23.906 51.388 1.00 25.93 ? 209 TYR A CD2 1 +ATOM 1683 C CE1 . TYR A 1 209 ? 17.882 25.435 49.476 1.00 31.58 ? 209 TYR A CE1 1 +ATOM 1684 C CE2 . TYR A 1 209 ? 15.842 24.515 50.363 1.00 34.32 ? 209 TYR A CE2 1 +ATOM 1685 C CZ . TYR A 1 209 ? 16.503 25.288 49.411 1.00 30.45 ? 209 TYR A CZ 1 +ATOM 1686 O OH . TYR A 1 209 ? 15.765 25.959 48.448 1.00 24.10 ? 209 TYR A OH 1 +ATOM 1687 N N . PRO A 1 210 ? 16.698 25.817 54.057 1.00 32.61 ? 210 PRO A N 1 +ATOM 1688 C CA . PRO A 1 210 ? 17.175 26.930 53.234 1.00 30.71 ? 210 PRO A CA 1 +ATOM 1689 C C . PRO A 1 210 ? 18.345 27.684 53.833 1.00 28.08 ? 210 PRO A C 1 +ATOM 1690 O O . PRO A 1 210 ? 18.936 27.235 54.814 1.00 26.61 ? 210 PRO A O 1 +ATOM 1691 C CB . PRO A 1 210 ? 15.928 27.800 53.085 1.00 35.65 ? 210 PRO A CB 1 +ATOM 1692 C CG . PRO A 1 210 ? 15.094 27.435 54.271 1.00 40.55 ? 210 PRO A CG 1 +ATOM 1693 C CD . PRO A 1 210 ? 15.260 25.950 54.310 1.00 34.29 ? 210 PRO A CD 1 +ATOM 1694 N N . ALA A 1 211 ? 18.675 28.827 53.242 1.00 26.72 ? 211 ALA A N 1 +ATOM 1695 C CA . ALA A 1 211 ? 19.812 29.626 53.694 1.00 28.46 ? 211 ALA A CA 1 +ATOM 1696 C C . ALA A 1 211 ? 19.584 30.572 54.892 1.00 26.76 ? 211 ALA A C 1 +ATOM 1697 O O . ALA A 1 211 ? 20.543 31.135 55.435 1.00 28.02 ? 211 ALA A O 1 +ATOM 1698 C CB . ALA A 1 211 ? 20.424 30.384 52.495 1.00 17.37 ? 211 ALA A CB 1 +ATOM 1699 N N . GLU A 1 212 ? 18.333 30.745 55.308 1.00 29.90 ? 212 GLU A N 1 +ATOM 1700 C CA . GLU A 1 212 ? 18.017 31.618 56.444 1.00 33.23 ? 212 GLU A CA 1 +ATOM 1701 C C . GLU A 1 212 ? 18.477 31.028 57.789 1.00 33.04 ? 212 GLU A C 1 +ATOM 1702 O O . GLU A 1 212 ? 18.024 29.944 58.209 1.00 26.60 ? 212 GLU A O 1 +ATOM 1703 C CB . GLU A 1 212 ? 16.515 31.907 56.503 1.00 37.90 ? 212 GLU A CB 1 +ATOM 1704 C CG . GLU A 1 212 ? 16.162 33.388 56.453 1.00 45.08 ? 212 GLU A CG 1 +ATOM 1705 C CD . GLU A 1 212 ? 16.901 34.209 57.491 1.00 48.80 ? 212 GLU A CD 1 +ATOM 1706 O OE1 . GLU A 1 212 ? 16.481 34.187 58.669 1.00 56.53 ? 212 GLU A OE1 1 +ATOM 1707 O OE2 . GLU A 1 212 ? 17.900 34.875 57.132 1.00 49.76 ? 212 GLU A OE2 1 +ATOM 1708 N N . ILE A 1 213 ? 19.339 31.769 58.480 1.00 29.71 ? 213 ILE A N 1 +ATOM 1709 C CA . ILE A 1 213 ? 19.869 31.315 59.755 1.00 35.67 ? 213 ILE A CA 1 +ATOM 1710 C C . ILE A 1 213 ? 20.331 32.498 60.612 1.00 38.58 ? 213 ILE A C 1 +ATOM 1711 O O . ILE A 1 213 ? 20.741 33.539 60.093 1.00 39.60 ? 213 ILE A O 1 +ATOM 1712 C CB . ILE A 1 213 ? 21.059 30.314 59.526 1.00 32.44 ? 213 ILE A CB 1 +ATOM 1713 C CG1 . ILE A 1 213 ? 21.135 29.290 60.665 1.00 34.63 ? 213 ILE A CG1 1 +ATOM 1714 C CG2 . ILE A 1 213 ? 22.391 31.059 59.387 1.00 22.34 ? 213 ILE A CG2 1 +ATOM 1715 C CD1 . ILE A 1 213 ? 22.245 28.227 60.496 1.00 28.94 ? 213 ILE A CD1 1 +ATOM 1716 N N . THR A 1 214 ? 20.226 32.342 61.927 1.00 42.61 ? 214 THR A N 1 +ATOM 1717 C CA . THR A 1 214 ? 20.668 33.367 62.868 1.00 41.82 ? 214 THR A CA 1 +ATOM 1718 C C . THR A 1 214 ? 21.644 32.691 63.840 1.00 38.70 ? 214 THR A C 1 +ATOM 1719 O O . THR A 1 214 ? 21.308 31.713 64.510 1.00 35.25 ? 214 THR A O 1 +ATOM 1720 C CB . THR A 1 214 ? 19.477 33.988 63.616 1.00 45.99 ? 214 THR A CB 1 +ATOM 1721 O OG1 . THR A 1 214 ? 18.532 34.507 62.664 1.00 41.67 ? 214 THR A OG1 1 +ATOM 1722 C CG2 . THR A 1 214 ? 19.954 35.109 64.543 1.00 48.26 ? 214 THR A CG2 1 +ATOM 1723 N N . LEU A 1 215 ? 22.882 33.163 63.810 1.00 36.85 ? 215 LEU A N 1 +ATOM 1724 C CA . LEU A 1 215 ? 23.956 32.635 64.630 1.00 34.17 ? 215 LEU A CA 1 +ATOM 1725 C C . LEU A 1 215 ? 24.408 33.752 65.559 1.00 38.72 ? 215 LEU A C 1 +ATOM 1726 O O . LEU A 1 215 ? 24.878 34.788 65.084 1.00 44.04 ? 215 LEU A O 1 +ATOM 1727 C CB . LEU A 1 215 ? 25.114 32.233 63.721 1.00 25.14 ? 215 LEU A CB 1 +ATOM 1728 C CG . LEU A 1 215 ? 25.830 30.942 64.067 1.00 21.31 ? 215 LEU A CG 1 +ATOM 1729 C CD1 . LEU A 1 215 ? 24.892 29.786 63.802 1.00 17.86 ? 215 LEU A CD1 1 +ATOM 1730 C CD2 . LEU A 1 215 ? 27.106 30.824 63.253 1.00 21.97 ? 215 LEU A CD2 1 +ATOM 1731 N N . THR A 1 216 ? 24.337 33.523 66.870 1.00 45.70 ? 216 THR A N 1 +ATOM 1732 C CA . THR A 1 216 ? 24.714 34.557 67.842 1.00 50.41 ? 216 THR A CA 1 +ATOM 1733 C C . THR A 1 216 ? 25.480 34.115 69.109 1.00 49.61 ? 216 THR A C 1 +ATOM 1734 O O . THR A 1 216 ? 25.122 33.124 69.756 1.00 49.93 ? 216 THR A O 1 +ATOM 1735 C CB . THR A 1 216 ? 23.460 35.331 68.292 1.00 51.53 ? 216 THR A CB 1 +ATOM 1736 O OG1 . THR A 1 216 ? 22.318 34.862 67.557 1.00 63.52 ? 216 THR A OG1 1 +ATOM 1737 C CG2 . THR A 1 216 ? 23.638 36.811 68.044 1.00 56.31 ? 216 THR A CG2 1 +ATOM 1738 N N . TRP A 1 217 ? 26.522 34.874 69.455 1.00 45.68 ? 217 TRP A N 1 +ATOM 1739 C CA . TRP A 1 217 ? 27.346 34.627 70.638 1.00 41.10 ? 217 TRP A CA 1 +ATOM 1740 C C . TRP A 1 217 ? 26.886 35.538 71.772 1.00 44.58 ? 217 TRP A C 1 +ATOM 1741 O O . TRP A 1 217 ? 26.587 36.721 71.559 1.00 43.98 ? 217 TRP A O 1 +ATOM 1742 C CB . TRP A 1 217 ? 28.820 34.943 70.368 1.00 39.89 ? 217 TRP A CB 1 +ATOM 1743 C CG . TRP A 1 217 ? 29.633 33.824 69.800 1.00 44.12 ? 217 TRP A CG 1 +ATOM 1744 C CD1 . TRP A 1 217 ? 30.285 33.820 68.599 1.00 50.60 ? 217 TRP A CD1 1 +ATOM 1745 C CD2 . TRP A 1 217 ? 29.939 32.569 70.422 1.00 43.10 ? 217 TRP A CD2 1 +ATOM 1746 N NE1 . TRP A 1 217 ? 30.974 32.645 68.440 1.00 50.96 ? 217 TRP A NE1 1 +ATOM 1747 C CE2 . TRP A 1 217 ? 30.780 31.859 69.541 1.00 41.89 ? 217 TRP A CE2 1 +ATOM 1748 C CE3 . TRP A 1 217 ? 29.586 31.977 71.639 1.00 47.99 ? 217 TRP A CE3 1 +ATOM 1749 C CZ2 . TRP A 1 217 ? 31.272 30.589 69.837 1.00 41.64 ? 217 TRP A CZ2 1 +ATOM 1750 C CZ3 . TRP A 1 217 ? 30.077 30.709 71.933 1.00 47.78 ? 217 TRP A CZ3 1 +ATOM 1751 C CH2 . TRP A 1 217 ? 30.911 30.031 71.033 1.00 44.94 ? 217 TRP A CH2 1 +ATOM 1752 N N . GLN A 1 218 ? 26.875 34.993 72.982 1.00 45.81 ? 218 GLN A N 1 +ATOM 1753 C CA . GLN A 1 218 ? 26.484 35.729 74.168 1.00 45.74 ? 218 GLN A CA 1 +ATOM 1754 C C . GLN A 1 218 ? 27.472 35.410 75.275 1.00 51.92 ? 218 GLN A C 1 +ATOM 1755 O O . GLN A 1 218 ? 28.047 34.313 75.307 1.00 52.59 ? 218 GLN A O 1 +ATOM 1756 C CB . GLN A 1 218 ? 25.104 35.287 74.639 1.00 44.46 ? 218 GLN A CB 1 +ATOM 1757 C CG . GLN A 1 218 ? 23.949 35.673 73.744 1.00 50.51 ? 218 GLN A CG 1 +ATOM 1758 C CD . GLN A 1 218 ? 22.611 35.268 74.341 1.00 54.19 ? 218 GLN A CD 1 +ATOM 1759 O OE1 . GLN A 1 218 ? 22.559 34.637 75.398 1.00 53.79 ? 218 GLN A OE1 1 +ATOM 1760 N NE2 . GLN A 1 218 ? 21.521 35.608 73.656 1.00 58.02 ? 218 GLN A NE2 1 +ATOM 1761 N N . ARG A 1 219 ? 27.663 36.367 76.184 1.00 54.66 ? 219 ARG A N 1 +ATOM 1762 C CA . ARG A 1 219 ? 28.548 36.190 77.339 1.00 50.12 ? 219 ARG A CA 1 +ATOM 1763 C C . ARG A 1 219 ? 27.706 36.449 78.570 1.00 46.37 ? 219 ARG A C 1 +ATOM 1764 O O . ARG A 1 219 ? 27.089 37.506 78.692 1.00 45.61 ? 219 ARG A O 1 +ATOM 1765 C CB . ARG A 1 219 ? 29.725 37.162 77.317 1.00 47.83 ? 219 ARG A CB 1 +ATOM 1766 C CG . ARG A 1 219 ? 30.732 36.898 78.419 1.00 47.86 ? 219 ARG A CG 1 +ATOM 1767 C CD . ARG A 1 219 ? 31.870 37.886 78.367 1.00 51.18 ? 219 ARG A CD 1 +ATOM 1768 N NE . ARG A 1 219 ? 31.398 39.263 78.529 1.00 57.76 ? 219 ARG A NE 1 +ATOM 1769 C CZ . ARG A 1 219 ? 32.129 40.347 78.271 1.00 56.33 ? 219 ARG A CZ 1 +ATOM 1770 N NH1 . ARG A 1 219 ? 33.380 40.226 77.830 1.00 55.62 ? 219 ARG A NH1 1 +ATOM 1771 N NH2 . ARG A 1 219 ? 31.612 41.554 78.467 1.00 46.81 ? 219 ARG A NH2 1 +ATOM 1772 N N . ASP A 1 220 ? 27.613 35.441 79.430 1.00 49.55 ? 220 ASP A N 1 +ATOM 1773 C CA . ASP A 1 220 ? 26.830 35.502 80.666 1.00 50.94 ? 220 ASP A CA 1 +ATOM 1774 C C . ASP A 1 220 ? 25.353 35.788 80.379 1.00 51.97 ? 220 ASP A C 1 +ATOM 1775 O O . ASP A 1 220 ? 24.562 35.926 81.305 1.00 55.66 ? 220 ASP A O 1 +ATOM 1776 C CB . ASP A 1 220 ? 27.391 36.555 81.649 1.00 49.22 ? 220 ASP A CB 1 +ATOM 1777 C CG . ASP A 1 220 ? 28.829 36.265 82.095 1.00 46.56 ? 220 ASP A CG 1 +ATOM 1778 O OD1 . ASP A 1 220 ? 29.161 35.105 82.438 1.00 43.84 ? 220 ASP A OD1 1 +ATOM 1779 O OD2 . ASP A 1 220 ? 29.630 37.223 82.125 1.00 43.96 ? 220 ASP A OD2 1 +ATOM 1780 N N . GLY A 1 221 ? 24.971 35.797 79.104 1.00 50.90 ? 221 GLY A N 1 +ATOM 1781 C CA . GLY A 1 221 ? 23.591 36.076 78.749 1.00 55.51 ? 221 GLY A CA 1 +ATOM 1782 C C . GLY A 1 221 ? 23.417 37.436 78.093 1.00 59.14 ? 221 GLY A C 1 +ATOM 1783 O O . GLY A 1 221 ? 22.285 37.880 77.869 1.00 62.31 ? 221 GLY A O 1 +ATOM 1784 N N . GLU A 1 222 ? 24.535 38.098 77.792 1.00 56.51 ? 222 GLU A N 1 +ATOM 1785 C CA . GLU A 1 222 ? 24.525 39.412 77.147 1.00 58.55 ? 222 GLU A CA 1 +ATOM 1786 C C . GLU A 1 222 ? 24.926 39.289 75.667 1.00 59.91 ? 222 GLU A C 1 +ATOM 1787 O O . GLU A 1 222 ? 25.963 38.681 75.354 1.00 61.12 ? 222 GLU A O 1 +ATOM 1788 C CB . GLU A 1 222 ? 25.466 40.362 77.875 1.00 56.05 ? 222 GLU A CB 1 +ATOM 1789 N N . ASP A 1 223 ? 24.101 39.842 74.765 1.00 57.05 ? 223 ASP A N 1 +ATOM 1790 C CA . ASP A 1 223 ? 24.383 39.784 73.337 1.00 48.80 ? 223 ASP A CA 1 +ATOM 1791 C C . ASP A 1 223 ? 25.820 40.177 73.104 1.00 48.22 ? 223 ASP A C 1 +ATOM 1792 O O . ASP A 1 223 ? 26.288 41.159 73.677 1.00 47.13 ? 223 ASP A O 1 +ATOM 1793 N N . GLN A 1 224 ? 26.541 39.414 72.294 1.00 46.99 ? 224 GLN A N 1 +ATOM 1794 C CA . GLN A 1 224 ? 27.950 39.731 72.059 1.00 50.94 ? 224 GLN A CA 1 +ATOM 1795 C C . GLN A 1 224 ? 28.211 40.345 70.690 1.00 51.23 ? 224 GLN A C 1 +ATOM 1796 O O . GLN A 1 224 ? 29.353 40.466 70.246 1.00 44.73 ? 224 GLN A O 1 +ATOM 1797 C CB . GLN A 1 224 ? 28.795 38.472 72.280 1.00 54.44 ? 224 GLN A CB 1 +ATOM 1798 C CG . GLN A 1 224 ? 30.156 38.713 72.925 1.00 47.32 ? 224 GLN A CG 1 +ATOM 1799 C CD . GLN A 1 224 ? 30.069 39.517 74.205 1.00 47.52 ? 224 GLN A CD 1 +ATOM 1800 O OE1 . GLN A 1 224 ? 31.025 40.185 74.592 1.00 48.72 ? 224 GLN A OE1 1 +ATOM 1801 N NE2 . GLN A 1 224 ? 28.917 39.469 74.863 1.00 50.27 ? 224 GLN A NE2 1 +ATOM 1802 N N . THR A 1 225 ? 27.143 40.832 70.082 1.00 58.31 ? 225 THR A N 1 +ATOM 1803 C CA . THR A 1 225 ? 27.159 41.454 68.769 1.00 67.87 ? 225 THR A CA 1 +ATOM 1804 C C . THR A 1 225 ? 28.451 42.132 68.276 1.00 69.93 ? 225 THR A C 1 +ATOM 1805 O O . THR A 1 225 ? 29.103 41.643 67.338 1.00 72.69 ? 225 THR A O 1 +ATOM 1806 C CB . THR A 1 225 ? 25.969 42.457 68.625 1.00 72.47 ? 225 THR A CB 1 +ATOM 1807 O OG1 . THR A 1 225 ? 25.833 43.226 69.829 1.00 78.97 ? 225 THR A OG1 1 +ATOM 1808 C CG2 . THR A 1 225 ? 24.670 41.720 68.368 1.00 77.65 ? 225 THR A CG2 1 +ATOM 1809 N N . GLN A 1 226 ? 28.859 43.218 68.922 1.00 67.56 ? 226 GLN A N 1 +ATOM 1810 C CA . GLN A 1 226 ? 30.025 43.963 68.482 1.00 68.92 ? 226 GLN A CA 1 +ATOM 1811 C C . GLN A 1 226 ? 31.385 43.292 68.623 1.00 71.66 ? 226 GLN A C 1 +ATOM 1812 O O . GLN A 1 226 ? 32.368 43.762 68.044 1.00 72.88 ? 226 GLN A O 1 +ATOM 1813 C CB . GLN A 1 226 ? 30.038 45.336 69.131 1.00 70.75 ? 226 GLN A CB 1 +ATOM 1814 N N . ASP A 1 227 ? 31.453 42.190 69.362 1.00 74.89 ? 227 ASP A N 1 +ATOM 1815 C CA . ASP A 1 227 ? 32.726 41.499 69.575 1.00 77.20 ? 227 ASP A CA 1 +ATOM 1816 C C . ASP A 1 227 ? 32.809 40.150 68.832 1.00 75.83 ? 227 ASP A C 1 +ATOM 1817 O O . ASP A 1 227 ? 33.754 39.373 69.038 1.00 72.62 ? 227 ASP A O 1 +ATOM 1818 C CB . ASP A 1 227 ? 32.953 41.294 71.084 1.00 84.28 ? 227 ASP A CB 1 +ATOM 1819 C CG . ASP A 1 227 ? 32.798 42.593 71.897 1.00 88.16 ? 227 ASP A CG 1 +ATOM 1820 O OD1 . ASP A 1 227 ? 31.644 43.044 72.109 1.00 88.47 ? 227 ASP A OD1 1 +ATOM 1821 O OD2 . ASP A 1 227 ? 33.830 43.152 72.332 1.00 88.09 ? 227 ASP A OD2 1 +ATOM 1822 N N . THR A 1 228 ? 31.871 39.935 67.907 1.00 73.32 ? 228 THR A N 1 +ATOM 1823 C CA . THR A 1 228 ? 31.762 38.697 67.135 1.00 67.42 ? 228 THR A CA 1 +ATOM 1824 C C . THR A 1 228 ? 32.030 38.808 65.628 1.00 66.10 ? 228 THR A C 1 +ATOM 1825 O O . THR A 1 228 ? 31.436 39.654 64.952 1.00 68.99 ? 228 THR A O 1 +ATOM 1826 C CB . THR A 1 228 ? 30.342 38.117 67.297 1.00 64.15 ? 228 THR A CB 1 +ATOM 1827 O OG1 . THR A 1 228 ? 30.019 38.023 68.690 1.00 62.68 ? 228 THR A OG1 1 +ATOM 1828 C CG2 . THR A 1 228 ? 30.240 36.737 66.660 1.00 62.99 ? 228 THR A CG2 1 +ATOM 1829 N N . GLU A 1 229 ? 32.893 37.932 65.101 1.00 61.60 ? 229 GLU A N 1 +ATOM 1830 C CA . GLU A 1 229 ? 33.201 37.890 63.660 1.00 54.88 ? 229 GLU A CA 1 +ATOM 1831 C C . GLU A 1 229 ? 32.177 36.969 63.003 1.00 47.73 ? 229 GLU A C 1 +ATOM 1832 O O . GLU A 1 229 ? 32.223 35.757 63.187 1.00 43.56 ? 229 GLU A O 1 +ATOM 1833 C CB . GLU A 1 229 ? 34.617 37.342 63.404 1.00 56.57 ? 229 GLU A CB 1 +ATOM 1834 C CG . GLU A 1 229 ? 35.009 37.251 61.917 1.00 59.20 ? 229 GLU A CG 1 +ATOM 1835 C CD . GLU A 1 229 ? 36.411 36.678 61.679 1.00 63.55 ? 229 GLU A CD 1 +ATOM 1836 O OE1 . GLU A 1 229 ? 36.874 35.837 62.488 1.00 62.59 ? 229 GLU A OE1 1 +ATOM 1837 O OE2 . GLU A 1 229 ? 37.046 37.056 60.665 1.00 60.50 ? 229 GLU A OE2 1 +ATOM 1838 N N . LEU A 1 230 ? 31.244 37.543 62.256 1.00 44.18 ? 230 LEU A N 1 +ATOM 1839 C CA . LEU A 1 230 ? 30.214 36.748 61.599 1.00 40.28 ? 230 LEU A CA 1 +ATOM 1840 C C . LEU A 1 230 ? 30.436 36.714 60.090 1.00 40.73 ? 230 LEU A C 1 +ATOM 1841 O O . LEU A 1 230 ? 30.497 37.762 59.454 1.00 43.02 ? 230 LEU A O 1 +ATOM 1842 C CB . LEU A 1 230 ? 28.847 37.337 61.909 1.00 35.30 ? 230 LEU A CB 1 +ATOM 1843 C CG . LEU A 1 230 ? 27.628 36.484 61.586 1.00 40.14 ? 230 LEU A CG 1 +ATOM 1844 C CD1 . LEU A 1 230 ? 27.663 35.202 62.405 1.00 46.14 ? 230 LEU A CD1 1 +ATOM 1845 C CD2 . LEU A 1 230 ? 26.374 37.272 61.900 1.00 38.59 ? 230 LEU A CD2 1 +ATOM 1846 N N . VAL A 1 231 ? 30.637 35.523 59.525 1.00 39.07 ? 231 VAL A N 1 +ATOM 1847 C CA . VAL A 1 231 ? 30.837 35.411 58.083 1.00 32.86 ? 231 VAL A CA 1 +ATOM 1848 C C . VAL A 1 231 ? 29.496 35.264 57.365 1.00 38.51 ? 231 VAL A C 1 +ATOM 1849 O O . VAL A 1 231 ? 28.574 34.604 57.853 1.00 38.32 ? 231 VAL A O 1 +ATOM 1850 C CB . VAL A 1 231 ? 31.774 34.245 57.678 1.00 26.90 ? 231 VAL A CB 1 +ATOM 1851 C CG1 . VAL A 1 231 ? 33.148 34.451 58.257 1.00 24.64 ? 231 VAL A CG1 1 +ATOM 1852 C CG2 . VAL A 1 231 ? 31.193 32.904 58.071 1.00 23.94 ? 231 VAL A CG2 1 +ATOM 1853 N N . GLU A 1 232 ? 29.402 35.879 56.196 1.00 38.40 ? 232 GLU A N 1 +ATOM 1854 C CA . GLU A 1 232 ? 28.190 35.852 55.399 1.00 37.69 ? 232 GLU A CA 1 +ATOM 1855 C C . GLU A 1 232 ? 27.846 34.391 55.071 1.00 34.43 ? 232 GLU A C 1 +ATOM 1856 O O . GLU A 1 232 ? 28.755 33.593 54.827 1.00 30.46 ? 232 GLU A O 1 +ATOM 1857 C CB . GLU A 1 232 ? 28.462 36.651 54.126 1.00 48.12 ? 232 GLU A CB 1 +ATOM 1858 C CG . GLU A 1 232 ? 27.243 37.224 53.407 1.00 63.18 ? 232 GLU A CG 1 +ATOM 1859 C CD . GLU A 1 232 ? 27.613 37.877 52.071 1.00 71.42 ? 232 GLU A CD 1 +ATOM 1860 O OE1 . GLU A 1 232 ? 28.799 38.256 51.898 1.00 66.37 ? 232 GLU A OE1 1 +ATOM 1861 O OE2 . GLU A 1 232 ? 26.720 37.997 51.193 1.00 75.91 ? 232 GLU A OE2 1 +ATOM 1862 N N . THR A 1 233 ? 26.556 34.037 55.094 1.00 32.01 ? 233 THR A N 1 +ATOM 1863 C CA . THR A 1 233 ? 26.138 32.672 54.785 1.00 25.73 ? 233 THR A CA 1 +ATOM 1864 C C . THR A 1 233 ? 26.817 32.321 53.467 1.00 29.41 ? 233 THR A C 1 +ATOM 1865 O O . THR A 1 233 ? 26.841 33.136 52.554 1.00 36.36 ? 233 THR A O 1 +ATOM 1866 C CB . THR A 1 233 ? 24.601 32.562 54.637 1.00 24.87 ? 233 THR A CB 1 +ATOM 1867 O OG1 . THR A 1 233 ? 23.952 32.914 55.869 1.00 23.23 ? 233 THR A OG1 1 +ATOM 1868 C CG2 . THR A 1 233 ? 24.198 31.152 54.257 1.00 25.81 ? 233 THR A CG2 1 +ATOM 1869 N N . ARG A 1 234 ? 27.413 31.137 53.381 1.00 32.33 ? 234 ARG A N 1 +ATOM 1870 C CA . ARG A 1 234 ? 28.112 30.716 52.174 1.00 27.53 ? 234 ARG A CA 1 +ATOM 1871 C C . ARG A 1 234 ? 27.610 29.364 51.683 1.00 34.15 ? 234 ARG A C 1 +ATOM 1872 O O . ARG A 1 234 ? 27.221 28.510 52.473 1.00 37.21 ? 234 ARG A O 1 +ATOM 1873 C CB . ARG A 1 234 ? 29.603 30.636 52.453 1.00 21.06 ? 234 ARG A CB 1 +ATOM 1874 C CG . ARG A 1 234 ? 29.987 29.479 53.337 1.00 25.00 ? 234 ARG A CG 1 +ATOM 1875 C CD . ARG A 1 234 ? 30.971 29.887 54.419 1.00 23.15 ? 234 ARG A CD 1 +ATOM 1876 N NE . ARG A 1 234 ? 31.705 28.721 54.889 1.00 23.11 ? 234 ARG A NE 1 +ATOM 1877 C CZ . ARG A 1 234 ? 33.012 28.714 55.127 1.00 32.29 ? 234 ARG A CZ 1 +ATOM 1878 N NH1 . ARG A 1 234 ? 33.720 29.824 54.962 1.00 32.84 ? 234 ARG A NH1 1 +ATOM 1879 N NH2 . ARG A 1 234 ? 33.633 27.575 55.423 1.00 29.45 ? 234 ARG A NH2 1 +ATOM 1880 N N . PRO A 1 235 ? 27.538 29.176 50.363 1.00 38.13 ? 235 PRO A N 1 +ATOM 1881 C CA . PRO A 1 235 ? 27.069 27.919 49.775 1.00 38.59 ? 235 PRO A CA 1 +ATOM 1882 C C . PRO A 1 235 ? 28.110 26.799 49.861 1.00 36.09 ? 235 PRO A C 1 +ATOM 1883 O O . PRO A 1 235 ? 29.303 27.031 49.632 1.00 30.98 ? 235 PRO A O 1 +ATOM 1884 C CB . PRO A 1 235 ? 26.782 28.314 48.326 1.00 45.40 ? 235 PRO A CB 1 +ATOM 1885 C CG . PRO A 1 235 ? 27.800 29.414 48.072 1.00 44.22 ? 235 PRO A CG 1 +ATOM 1886 C CD . PRO A 1 235 ? 27.698 30.220 49.329 1.00 39.36 ? 235 PRO A CD 1 +ATOM 1887 N N . ALA A 1 236 ? 27.651 25.587 50.164 1.00 32.51 ? 236 ALA A N 1 +ATOM 1888 C CA . ALA A 1 236 ? 28.538 24.427 50.279 1.00 34.24 ? 236 ALA A CA 1 +ATOM 1889 C C . ALA A 1 236 ? 28.908 23.895 48.913 1.00 37.98 ? 236 ALA A C 1 +ATOM 1890 O O . ALA A 1 236 ? 29.996 23.343 48.721 1.00 36.33 ? 236 ALA A O 1 +ATOM 1891 C CB . ALA A 1 236 ? 27.876 23.336 51.080 1.00 38.60 ? 236 ALA A CB 1 +ATOM 1892 N N . GLY A 1 237 ? 27.977 24.062 47.974 1.00 41.32 ? 237 GLY A N 1 +ATOM 1893 C CA . GLY A 1 237 ? 28.173 23.611 46.609 1.00 37.54 ? 237 GLY A CA 1 +ATOM 1894 C C . GLY A 1 237 ? 27.305 22.419 46.257 1.00 41.30 ? 237 GLY A C 1 +ATOM 1895 O O . GLY A 1 237 ? 27.184 22.043 45.092 1.00 42.62 ? 237 GLY A O 1 +ATOM 1896 N N . ASP A 1 238 ? 26.647 21.847 47.254 1.00 42.39 ? 238 ASP A N 1 +ATOM 1897 C CA . ASP A 1 238 ? 25.812 20.684 47.018 1.00 37.51 ? 238 ASP A CA 1 +ATOM 1898 C C . ASP A 1 238 ? 24.343 20.933 47.302 1.00 37.20 ? 238 ASP A C 1 +ATOM 1899 O O . ASP A 1 238 ? 23.543 19.992 47.399 1.00 34.50 ? 238 ASP A O 1 +ATOM 1900 C CB . ASP A 1 238 ? 26.341 19.482 47.807 1.00 43.82 ? 238 ASP A CB 1 +ATOM 1901 C CG . ASP A 1 238 ? 26.577 19.786 49.296 1.00 50.48 ? 238 ASP A CG 1 +ATOM 1902 O OD1 . ASP A 1 238 ? 26.337 20.928 49.759 1.00 47.20 ? 238 ASP A OD1 1 +ATOM 1903 O OD2 . ASP A 1 238 ? 27.015 18.855 50.007 1.00 51.07 ? 238 ASP A OD2 1 +ATOM 1904 N N . GLY A 1 239 ? 23.989 22.208 47.427 1.00 32.98 ? 239 GLY A N 1 +ATOM 1905 C CA . GLY A 1 239 ? 22.604 22.556 47.675 1.00 34.29 ? 239 GLY A CA 1 +ATOM 1906 C C . GLY A 1 239 ? 22.287 22.959 49.094 1.00 36.54 ? 239 GLY A C 1 +ATOM 1907 O O . GLY A 1 239 ? 21.112 23.138 49.427 1.00 38.35 ? 239 GLY A O 1 +ATOM 1908 N N . THR A 1 240 ? 23.330 23.099 49.917 1.00 36.34 ? 240 THR A N 1 +ATOM 1909 C CA . THR A 1 240 ? 23.198 23.487 51.317 1.00 32.13 ? 240 THR A CA 1 +ATOM 1910 C C . THR A 1 240 ? 24.140 24.635 51.598 1.00 34.67 ? 240 THR A C 1 +ATOM 1911 O O . THR A 1 240 ? 25.044 24.925 50.789 1.00 27.35 ? 240 THR A O 1 +ATOM 1912 C CB . THR A 1 240 ? 23.562 22.347 52.258 1.00 33.30 ? 240 THR A CB 1 +ATOM 1913 O OG1 . THR A 1 240 ? 24.825 21.794 51.867 1.00 36.57 ? 240 THR A OG1 1 +ATOM 1914 C CG2 . THR A 1 240 ? 22.493 21.269 52.233 1.00 38.21 ? 240 THR A CG2 1 +ATOM 1915 N N . PHE A 1 241 ? 23.971 25.244 52.774 1.00 36.23 ? 241 PHE A N 1 +ATOM 1916 C CA . PHE A 1 241 ? 24.783 26.395 53.173 1.00 35.79 ? 241 PHE A CA 1 +ATOM 1917 C C . PHE A 1 241 ? 25.648 26.175 54.406 1.00 27.88 ? 241 PHE A C 1 +ATOM 1918 O O . PHE A 1 241 ? 25.519 25.164 55.090 1.00 28.47 ? 241 PHE A O 1 +ATOM 1919 C CB . PHE A 1 241 ? 23.882 27.621 53.349 1.00 36.77 ? 241 PHE A CB 1 +ATOM 1920 C CG . PHE A 1 241 ? 22.976 27.866 52.172 1.00 43.09 ? 241 PHE A CG 1 +ATOM 1921 C CD1 . PHE A 1 241 ? 21.894 27.021 51.917 1.00 45.43 ? 241 PHE A CD1 1 +ATOM 1922 C CD2 . PHE A 1 241 ? 23.229 28.905 51.292 1.00 50.87 ? 241 PHE A CD2 1 +ATOM 1923 C CE1 . PHE A 1 241 ? 21.081 27.198 50.797 1.00 46.99 ? 241 PHE A CE1 1 +ATOM 1924 C CE2 . PHE A 1 241 ? 22.422 29.096 50.165 1.00 53.76 ? 241 PHE A CE2 1 +ATOM 1925 C CZ . PHE A 1 241 ? 21.344 28.236 49.920 1.00 51.55 ? 241 PHE A CZ 1 +ATOM 1926 N N . GLN A 1 242 ? 26.546 27.122 54.655 1.00 24.57 ? 242 GLN A N 1 +ATOM 1927 C CA . GLN A 1 242 ? 27.469 27.087 55.784 1.00 26.03 ? 242 GLN A CA 1 +ATOM 1928 C C . GLN A 1 242 ? 27.495 28.450 56.428 1.00 27.90 ? 242 GLN A C 1 +ATOM 1929 O O . GLN A 1 242 ? 27.019 29.415 55.841 1.00 34.44 ? 242 GLN A O 1 +ATOM 1930 C CB . GLN A 1 242 ? 28.885 26.777 55.311 1.00 17.14 ? 242 GLN A CB 1 +ATOM 1931 C CG . GLN A 1 242 ? 29.019 25.432 54.679 1.00 15.88 ? 242 GLN A CG 1 +ATOM 1932 C CD . GLN A 1 242 ? 30.442 25.095 54.351 1.00 15.85 ? 242 GLN A CD 1 +ATOM 1933 O OE1 . GLN A 1 242 ? 31.357 25.900 54.557 1.00 17.27 ? 242 GLN A OE1 1 +ATOM 1934 N NE2 . GLN A 1 242 ? 30.646 23.898 53.832 1.00 20.09 ? 242 GLN A NE2 1 +ATOM 1935 N N . LYS A 1 243 ? 28.061 28.533 57.628 1.00 34.64 ? 243 LYS A N 1 +ATOM 1936 C CA . LYS A 1 243 ? 28.174 29.804 58.347 1.00 31.33 ? 243 LYS A CA 1 +ATOM 1937 C C . LYS A 1 243 ? 28.869 29.620 59.694 1.00 29.06 ? 243 LYS A C 1 +ATOM 1938 O O . LYS A 1 243 ? 28.865 28.526 60.265 1.00 25.74 ? 243 LYS A O 1 +ATOM 1939 C CB . LYS A 1 243 ? 26.789 30.396 58.579 1.00 26.71 ? 243 LYS A CB 1 +ATOM 1940 C CG . LYS A 1 243 ? 26.776 31.898 58.784 1.00 23.11 ? 243 LYS A CG 1 +ATOM 1941 C CD . LYS A 1 243 ? 25.407 32.319 59.348 1.00 22.74 ? 243 LYS A CD 1 +ATOM 1942 C CE . LYS A 1 243 ? 25.001 33.682 58.855 1.00 28.49 ? 243 LYS A CE 1 +ATOM 1943 N NZ . LYS A 1 243 ? 26.189 34.558 58.729 1.00 27.85 ? 243 LYS A NZ 1 +ATOM 1944 N N . TRP A 1 244 ? 29.491 30.685 60.181 1.00 30.60 ? 244 TRP A N 1 +ATOM 1945 C CA . TRP A 1 244 ? 30.149 30.630 61.471 1.00 32.52 ? 244 TRP A CA 1 +ATOM 1946 C C . TRP A 1 244 ? 30.381 31.980 62.128 1.00 35.65 ? 244 TRP A C 1 +ATOM 1947 O O . TRP A 1 244 ? 30.515 32.995 61.436 1.00 38.47 ? 244 TRP A O 1 +ATOM 1948 C CB . TRP A 1 244 ? 31.442 29.810 61.419 1.00 25.59 ? 244 TRP A CB 1 +ATOM 1949 C CG . TRP A 1 244 ? 32.557 30.313 60.551 1.00 24.00 ? 244 TRP A CG 1 +ATOM 1950 C CD1 . TRP A 1 244 ? 33.041 29.703 59.435 1.00 17.55 ? 244 TRP A CD1 1 +ATOM 1951 C CD2 . TRP A 1 244 ? 33.457 31.402 60.829 1.00 22.42 ? 244 TRP A CD2 1 +ATOM 1952 N NE1 . TRP A 1 244 ? 34.194 30.316 59.020 1.00 18.94 ? 244 TRP A NE1 1 +ATOM 1953 C CE2 . TRP A 1 244 ? 34.474 31.363 59.857 1.00 22.17 ? 244 TRP A CE2 1 +ATOM 1954 C CE3 . TRP A 1 244 ? 33.509 32.399 61.816 1.00 20.98 ? 244 TRP A CE3 1 +ATOM 1955 C CZ2 . TRP A 1 244 ? 35.535 32.275 59.839 1.00 19.61 ? 244 TRP A CZ2 1 +ATOM 1956 C CZ3 . TRP A 1 244 ? 34.565 33.306 61.799 1.00 8.16 ? 244 TRP A CZ3 1 +ATOM 1957 C CH2 . TRP A 1 244 ? 35.560 33.234 60.820 1.00 18.43 ? 244 TRP A CH2 1 +ATOM 1958 N N . ALA A 1 245 ? 30.325 31.980 63.465 1.00 35.38 ? 245 ALA A N 1 +ATOM 1959 C CA . ALA A 1 245 ? 30.540 33.158 64.314 1.00 29.82 ? 245 ALA A CA 1 +ATOM 1960 C C . ALA A 1 245 ? 31.716 32.836 65.215 1.00 24.83 ? 245 ALA A C 1 +ATOM 1961 O O . ALA A 1 245 ? 31.832 31.721 65.686 1.00 26.62 ? 245 ALA A O 1 +ATOM 1962 C CB . ALA A 1 245 ? 29.305 33.430 65.155 1.00 29.54 ? 245 ALA A CB 1 +ATOM 1963 N N . ALA A 1 246 ? 32.594 33.795 65.452 1.00 23.71 ? 246 ALA A N 1 +ATOM 1964 C CA . ALA A 1 246 ? 33.753 33.544 66.287 1.00 25.92 ? 246 ALA A CA 1 +ATOM 1965 C C . ALA A 1 246 ? 34.049 34.704 67.212 1.00 33.62 ? 246 ALA A C 1 +ATOM 1966 O O . ALA A 1 246 ? 34.006 35.862 66.794 1.00 37.82 ? 246 ALA A O 1 +ATOM 1967 C CB . ALA A 1 246 ? 34.963 33.249 65.437 1.00 14.57 ? 246 ALA A CB 1 +ATOM 1968 N N . VAL A 1 247 ? 34.351 34.381 68.469 1.00 36.96 ? 247 VAL A N 1 +ATOM 1969 C CA . VAL A 1 247 ? 34.681 35.382 69.483 1.00 32.62 ? 247 VAL A CA 1 +ATOM 1970 C C . VAL A 1 247 ? 36.027 35.087 70.103 1.00 34.71 ? 247 VAL A C 1 +ATOM 1971 O O . VAL A 1 247 ? 36.463 33.930 70.143 1.00 29.94 ? 247 VAL A O 1 +ATOM 1972 C CB . VAL A 1 247 ? 33.670 35.410 70.638 1.00 26.87 ? 247 VAL A CB 1 +ATOM 1973 C CG1 . VAL A 1 247 ? 32.415 36.140 70.228 1.00 28.97 ? 247 VAL A CG1 1 +ATOM 1974 C CG2 . VAL A 1 247 ? 33.344 34.005 71.071 1.00 29.54 ? 247 VAL A CG2 1 +ATOM 1975 N N . VAL A 1 248 ? 36.708 36.150 70.522 1.00 40.31 ? 248 VAL A N 1 +ATOM 1976 C CA . VAL A 1 248 ? 37.989 36.018 71.203 1.00 46.88 ? 248 VAL A CA 1 +ATOM 1977 C C . VAL A 1 248 ? 37.641 36.002 72.697 1.00 49.75 ? 248 VAL A C 1 +ATOM 1978 O O . VAL A 1 248 ? 36.917 36.877 73.199 1.00 52.07 ? 248 VAL A O 1 +ATOM 1979 C CB . VAL A 1 248 ? 38.951 37.177 70.895 1.00 46.65 ? 248 VAL A CB 1 +ATOM 1980 C CG1 . VAL A 1 248 ? 40.306 36.899 71.518 1.00 45.40 ? 248 VAL A CG1 1 +ATOM 1981 C CG2 . VAL A 1 248 ? 39.099 37.348 69.402 1.00 48.83 ? 248 VAL A CG2 1 +ATOM 1982 N N . VAL A 1 249 ? 38.093 34.956 73.377 1.00 47.83 ? 249 VAL A N 1 +ATOM 1983 C CA . VAL A 1 249 ? 37.815 34.768 74.785 1.00 49.74 ? 249 VAL A CA 1 +ATOM 1984 C C . VAL A 1 249 ? 39.100 34.757 75.598 1.00 51.39 ? 249 VAL A C 1 +ATOM 1985 O O . VAL A 1 249 ? 40.113 34.209 75.146 1.00 51.26 ? 249 VAL A O 1 +ATOM 1986 C CB . VAL A 1 249 ? 37.103 33.391 75.007 1.00 50.06 ? 249 VAL A CB 1 +ATOM 1987 C CG1 . VAL A 1 249 ? 36.745 33.183 76.464 1.00 47.54 ? 249 VAL A CG1 1 +ATOM 1988 C CG2 . VAL A 1 249 ? 35.876 33.281 74.136 1.00 48.70 ? 249 VAL A CG2 1 +ATOM 1989 N N . PRO A 1 250 ? 39.128 35.488 76.729 1.00 55.58 ? 250 PRO A N 1 +ATOM 1990 C CA . PRO A 1 250 ? 40.316 35.520 77.594 1.00 51.52 ? 250 PRO A CA 1 +ATOM 1991 C C . PRO A 1 250 ? 40.288 34.179 78.331 1.00 49.29 ? 250 PRO A C 1 +ATOM 1992 O O . PRO A 1 250 ? 39.214 33.727 78.744 1.00 48.81 ? 250 PRO A O 1 +ATOM 1993 C CB . PRO A 1 250 ? 40.023 36.670 78.552 1.00 47.13 ? 250 PRO A CB 1 +ATOM 1994 C CG . PRO A 1 250 ? 39.176 37.593 77.721 1.00 52.59 ? 250 PRO A CG 1 +ATOM 1995 C CD . PRO A 1 250 ? 38.227 36.616 77.056 1.00 56.99 ? 250 PRO A CD 1 +ATOM 1996 N N . SER A 1 251 ? 41.434 33.524 78.457 1.00 52.01 ? 251 SER A N 1 +ATOM 1997 C CA . SER A 1 251 ? 41.490 32.220 79.119 1.00 56.45 ? 251 SER A CA 1 +ATOM 1998 C C . SER A 1 251 ? 40.669 32.141 80.409 1.00 54.19 ? 251 SER A C 1 +ATOM 1999 O O . SER A 1 251 ? 40.573 33.110 81.164 1.00 58.35 ? 251 SER A O 1 +ATOM 2000 C CB . SER A 1 251 ? 42.946 31.802 79.367 1.00 61.99 ? 251 SER A CB 1 +ATOM 2001 O OG . SER A 1 251 ? 43.798 32.929 79.477 1.00 72.21 ? 251 SER A OG 1 +ATOM 2002 N N . GLY A 1 252 ? 40.013 31.005 80.613 1.00 50.71 ? 252 GLY A N 1 +ATOM 2003 C CA . GLY A 1 252 ? 39.204 30.824 81.804 1.00 39.88 ? 252 GLY A CA 1 +ATOM 2004 C C . GLY A 1 252 ? 37.751 31.168 81.572 1.00 36.18 ? 252 GLY A C 1 +ATOM 2005 O O . GLY A 1 252 ? 36.849 30.554 82.147 1.00 35.12 ? 252 GLY A O 1 +ATOM 2006 N N . GLN A 1 253 ? 37.508 32.092 80.655 1.00 37.57 ? 253 GLN A N 1 +ATOM 2007 C CA . GLN A 1 253 ? 36.149 32.527 80.370 1.00 38.77 ? 253 GLN A CA 1 +ATOM 2008 C C . GLN A 1 253 ? 35.300 31.636 79.473 1.00 37.39 ? 253 GLN A C 1 +ATOM 2009 O O . GLN A 1 253 ? 34.105 31.873 79.343 1.00 40.76 ? 253 GLN A O 1 +ATOM 2010 C CB . GLN A 1 253 ? 36.171 33.957 79.824 1.00 37.17 ? 253 GLN A CB 1 +ATOM 2011 C CG . GLN A 1 253 ? 36.689 34.979 80.833 1.00 39.09 ? 253 GLN A CG 1 +ATOM 2012 C CD . GLN A 1 253 ? 36.624 36.418 80.335 1.00 43.58 ? 253 GLN A CD 1 +ATOM 2013 O OE1 . GLN A 1 253 ? 37.476 37.234 80.676 1.00 50.41 ? 253 GLN A OE1 1 +ATOM 2014 N NE2 . GLN A 1 253 ? 35.592 36.744 79.561 1.00 45.00 ? 253 GLN A NE2 1 +ATOM 2015 N N . GLU A 1 254 ? 35.875 30.569 78.937 1.00 34.09 ? 254 GLU A N 1 +ATOM 2016 C CA . GLU A 1 254 ? 35.151 29.682 78.024 1.00 38.99 ? 254 GLU A CA 1 +ATOM 2017 C C . GLU A 1 254 ? 33.726 29.297 78.390 1.00 42.44 ? 254 GLU A C 1 +ATOM 2018 O O . GLU A 1 254 ? 32.828 29.370 77.547 1.00 45.84 ? 254 GLU A O 1 +ATOM 2019 C CB . GLU A 1 254 ? 35.956 28.417 77.732 1.00 35.64 ? 254 GLU A CB 1 +ATOM 2020 C CG . GLU A 1 254 ? 37.123 28.608 76.774 1.00 38.05 ? 254 GLU A CG 1 +ATOM 2021 C CD . GLU A 1 254 ? 38.327 29.313 77.390 1.00 45.57 ? 254 GLU A CD 1 +ATOM 2022 O OE1 . GLU A 1 254 ? 38.420 29.399 78.630 1.00 45.59 ? 254 GLU A OE1 1 +ATOM 2023 O OE2 . GLU A 1 254 ? 39.202 29.776 76.625 1.00 49.04 ? 254 GLU A OE2 1 +ATOM 2024 N N . GLN A 1 255 ? 33.500 28.948 79.652 1.00 47.57 ? 255 GLN A N 1 +ATOM 2025 C CA . GLN A 1 255 ? 32.173 28.538 80.124 1.00 51.21 ? 255 GLN A CA 1 +ATOM 2026 C C . GLN A 1 255 ? 31.101 29.631 80.147 1.00 49.64 ? 255 GLN A C 1 +ATOM 2027 O O . GLN A 1 255 ? 29.917 29.341 80.362 1.00 49.71 ? 255 GLN A O 1 +ATOM 2028 C CB . GLN A 1 255 ? 32.290 27.923 81.524 1.00 57.58 ? 255 GLN A CB 1 +ATOM 2029 C CG . GLN A 1 255 ? 33.167 26.678 81.580 1.00 60.16 ? 255 GLN A CG 1 +ATOM 2030 C CD . GLN A 1 255 ? 32.633 25.563 80.702 1.00 61.28 ? 255 GLN A CD 1 +ATOM 2031 O OE1 . GLN A 1 255 ? 33.201 25.256 79.649 1.00 60.26 ? 255 GLN A OE1 1 +ATOM 2032 N NE2 . GLN A 1 255 ? 31.521 24.956 81.125 1.00 58.60 ? 255 GLN A NE2 1 +ATOM 2033 N N . ARG A 1 256 ? 31.520 30.881 79.961 1.00 47.70 ? 256 ARG A N 1 +ATOM 2034 C CA . ARG A 1 256 ? 30.633 32.040 79.981 1.00 44.08 ? 256 ARG A CA 1 +ATOM 2035 C C . ARG A 1 256 ? 29.885 32.285 78.674 1.00 43.87 ? 256 ARG A C 1 +ATOM 2036 O O . ARG A 1 256 ? 28.756 32.790 78.681 1.00 44.09 ? 256 ARG A O 1 +ATOM 2037 C CB . ARG A 1 256 ? 31.427 33.276 80.354 1.00 37.07 ? 256 ARG A CB 1 +ATOM 2038 N N . TYR A 1 257 ? 30.524 31.943 77.559 1.00 45.97 ? 257 TYR A N 1 +ATOM 2039 C CA . TYR A 1 257 ? 29.959 32.142 76.228 1.00 42.74 ? 257 TYR A CA 1 +ATOM 2040 C C . TYR A 1 257 ? 29.026 31.059 75.760 1.00 42.63 ? 257 TYR A C 1 +ATOM 2041 O O . TYR A 1 257 ? 29.264 29.880 76.022 1.00 46.43 ? 257 TYR A O 1 +ATOM 2042 C CB . TYR A 1 257 ? 31.070 32.268 75.205 1.00 34.86 ? 257 TYR A CB 1 +ATOM 2043 C CG . TYR A 1 257 ? 31.885 33.505 75.385 1.00 33.82 ? 257 TYR A CG 1 +ATOM 2044 C CD1 . TYR A 1 257 ? 32.994 33.510 76.220 1.00 34.09 ? 257 TYR A CD1 1 +ATOM 2045 C CD2 . TYR A 1 257 ? 31.545 34.682 74.721 1.00 33.85 ? 257 TYR A CD2 1 +ATOM 2046 C CE1 . TYR A 1 257 ? 33.750 34.658 76.397 1.00 42.25 ? 257 TYR A CE1 1 +ATOM 2047 C CE2 . TYR A 1 257 ? 32.296 35.837 74.880 1.00 40.86 ? 257 TYR A CE2 1 +ATOM 2048 C CZ . TYR A 1 257 ? 33.402 35.819 75.723 1.00 45.31 ? 257 TYR A CZ 1 +ATOM 2049 O OH . TYR A 1 257 ? 34.164 36.954 75.880 1.00 50.71 ? 257 TYR A OH 1 +ATOM 2050 N N . THR A 1 258 ? 27.973 31.464 75.056 1.00 40.82 ? 258 THR A N 1 +ATOM 2051 C CA . THR A 1 258 ? 27.019 30.521 74.493 1.00 42.19 ? 258 THR A CA 1 +ATOM 2052 C C . THR A 1 258 ? 26.656 30.917 73.059 1.00 42.85 ? 258 THR A C 1 +ATOM 2053 O O . THR A 1 258 ? 26.427 32.100 72.777 1.00 42.07 ? 258 THR A O 1 +ATOM 2054 C CB . THR A 1 258 ? 25.730 30.401 75.347 1.00 36.52 ? 258 THR A CB 1 +ATOM 2055 O OG1 . THR A 1 258 ? 25.270 31.701 75.746 1.00 37.98 ? 258 THR A OG1 1 +ATOM 2056 C CG2 . THR A 1 258 ? 25.977 29.531 76.558 1.00 35.24 ? 258 THR A CG2 1 +ATOM 2057 N N . CYS A 1 259 ? 26.655 29.941 72.151 1.00 41.67 ? 259 CYS A N 1 +ATOM 2058 C CA . CYS A 1 259 ? 26.301 30.186 70.751 1.00 38.54 ? 259 CYS A CA 1 +ATOM 2059 C C . CYS A 1 259 ? 24.832 29.855 70.584 1.00 36.37 ? 259 CYS A C 1 +ATOM 2060 O O . CYS A 1 259 ? 24.344 28.877 71.143 1.00 34.93 ? 259 CYS A O 1 +ATOM 2061 C CB . CYS A 1 259 ? 27.136 29.324 69.809 1.00 39.29 ? 259 CYS A CB 1 +ATOM 2062 S SG . CYS A 1 259 ? 26.662 29.456 68.050 1.00 46.88 ? 259 CYS A SG 1 +ATOM 2063 N N . HIS A 1 260 ? 24.123 30.671 69.819 1.00 38.13 ? 260 HIS A N 1 +ATOM 2064 C CA . HIS A 1 260 ? 22.699 30.464 69.629 1.00 40.41 ? 260 HIS A CA 1 +ATOM 2065 C C . HIS A 1 260 ? 22.377 30.404 68.158 1.00 41.81 ? 260 HIS A C 1 +ATOM 2066 O O . HIS A 1 260 ? 22.538 31.398 67.449 1.00 39.29 ? 260 HIS A O 1 +ATOM 2067 C CB . HIS A 1 260 ? 21.933 31.581 70.321 1.00 45.98 ? 260 HIS A CB 1 +ATOM 2068 C CG . HIS A 1 260 ? 22.296 31.727 71.765 1.00 53.09 ? 260 HIS A CG 1 +ATOM 2069 N ND1 . HIS A 1 260 ? 21.543 31.170 72.778 1.00 56.64 ? 260 HIS A ND1 1 +ATOM 2070 C CD2 . HIS A 1 260 ? 23.373 32.288 72.360 1.00 50.52 ? 260 HIS A CD2 1 +ATOM 2071 C CE1 . HIS A 1 260 ? 22.147 31.378 73.934 1.00 58.86 ? 260 HIS A CE1 1 +ATOM 2072 N NE2 . HIS A 1 260 ? 23.261 32.053 73.710 1.00 52.97 ? 260 HIS A NE2 1 +ATOM 2073 N N . VAL A 1 261 ? 21.923 29.223 67.726 1.00 41.41 ? 261 VAL A N 1 +ATOM 2074 C CA . VAL A 1 261 ? 21.588 28.920 66.338 1.00 39.79 ? 261 VAL A CA 1 +ATOM 2075 C C . VAL A 1 261 ? 20.080 28.857 66.149 1.00 42.15 ? 261 VAL A C 1 +ATOM 2076 O O . VAL A 1 261 ? 19.386 28.116 66.857 1.00 41.00 ? 261 VAL A O 1 +ATOM 2077 C CB . VAL A 1 261 ? 22.189 27.552 65.919 1.00 37.98 ? 261 VAL A CB 1 +ATOM 2078 C CG1 . VAL A 1 261 ? 21.932 27.274 64.462 1.00 37.35 ? 261 VAL A CG1 1 +ATOM 2079 C CG2 . VAL A 1 261 ? 23.674 27.508 66.208 1.00 41.29 ? 261 VAL A CG2 1 +ATOM 2080 N N . GLN A 1 262 ? 19.578 29.638 65.195 1.00 43.95 ? 262 GLN A N 1 +ATOM 2081 C CA . GLN A 1 262 ? 18.147 29.679 64.887 1.00 45.05 ? 262 GLN A CA 1 +ATOM 2082 C C . GLN A 1 262 ? 17.963 29.295 63.402 1.00 40.75 ? 262 GLN A C 1 +ATOM 2083 O O . GLN A 1 262 ? 18.638 29.825 62.513 1.00 36.13 ? 262 GLN A O 1 +ATOM 2084 C CB . GLN A 1 262 ? 17.582 31.081 65.195 1.00 51.05 ? 262 GLN A CB 1 +ATOM 2085 C CG . GLN A 1 262 ? 16.161 31.112 65.800 1.00 59.03 ? 262 GLN A CG 1 +ATOM 2086 C CD . GLN A 1 262 ? 15.760 32.499 66.344 1.00 66.29 ? 262 GLN A CD 1 +ATOM 2087 O OE1 . GLN A 1 262 ? 16.401 33.519 66.057 1.00 65.42 ? 262 GLN A OE1 1 +ATOM 2088 N NE2 . GLN A 1 262 ? 14.703 32.528 67.149 1.00 68.38 ? 262 GLN A NE2 1 +ATOM 2089 N N . HIS A 1 263 ? 17.065 28.356 63.139 1.00 36.08 ? 263 HIS A N 1 +ATOM 2090 C CA . HIS A 1 263 ? 16.846 27.903 61.781 1.00 34.37 ? 263 HIS A CA 1 +ATOM 2091 C C . HIS A 1 263 ? 15.533 27.141 61.698 1.00 40.24 ? 263 HIS A C 1 +ATOM 2092 O O . HIS A 1 263 ? 15.186 26.444 62.629 1.00 42.97 ? 263 HIS A O 1 +ATOM 2093 C CB . HIS A 1 263 ? 18.003 26.993 61.382 1.00 33.84 ? 263 HIS A CB 1 +ATOM 2094 C CG . HIS A 1 263 ? 17.949 26.530 59.961 1.00 35.29 ? 263 HIS A CG 1 +ATOM 2095 N ND1 . HIS A 1 263 ? 18.573 27.203 58.933 1.00 30.10 ? 263 HIS A ND1 1 +ATOM 2096 C CD2 . HIS A 1 263 ? 17.346 25.458 59.395 1.00 31.96 ? 263 HIS A CD2 1 +ATOM 2097 C CE1 . HIS A 1 263 ? 18.358 26.570 57.798 1.00 34.14 ? 263 HIS A CE1 1 +ATOM 2098 N NE2 . HIS A 1 263 ? 17.615 25.506 58.052 1.00 37.79 ? 263 HIS A NE2 1 +ATOM 2099 N N . GLU A 1 264 ? 14.837 27.234 60.561 1.00 49.65 ? 264 GLU A N 1 +ATOM 2100 C CA . GLU A 1 264 ? 13.539 26.564 60.342 1.00 48.66 ? 264 GLU A CA 1 +ATOM 2101 C C . GLU A 1 264 ? 13.535 25.064 60.649 1.00 49.12 ? 264 GLU A C 1 +ATOM 2102 O O . GLU A 1 264 ? 12.512 24.504 61.043 1.00 50.79 ? 264 GLU A O 1 +ATOM 2103 C CB . GLU A 1 264 ? 13.049 26.805 58.899 1.00 44.76 ? 264 GLU A CB 1 +ATOM 2104 N N . GLY A 1 265 ? 14.671 24.416 60.418 1.00 49.32 ? 265 GLY A N 1 +ATOM 2105 C CA . GLY A 1 265 ? 14.796 22.993 60.674 1.00 50.92 ? 265 GLY A CA 1 +ATOM 2106 C C . GLY A 1 265 ? 14.866 22.658 62.151 1.00 51.54 ? 265 GLY A C 1 +ATOM 2107 O O . GLY A 1 265 ? 14.631 21.519 62.550 1.00 53.51 ? 265 GLY A O 1 +ATOM 2108 N N . LEU A 1 266 ? 15.229 23.642 62.963 1.00 49.46 ? 266 LEU A N 1 +ATOM 2109 C CA . LEU A 1 266 ? 15.326 23.453 64.406 1.00 48.17 ? 266 LEU A CA 1 +ATOM 2110 C C . LEU A 1 266 ? 13.964 23.710 65.071 1.00 52.64 ? 266 LEU A C 1 +ATOM 2111 O O . LEU A 1 266 ? 13.405 24.814 64.975 1.00 48.59 ? 266 LEU A O 1 +ATOM 2112 C CB . LEU A 1 266 ? 16.395 24.383 64.995 1.00 35.99 ? 266 LEU A CB 1 +ATOM 2113 C CG . LEU A 1 266 ? 17.780 24.241 64.366 1.00 30.22 ? 266 LEU A CG 1 +ATOM 2114 C CD1 . LEU A 1 266 ? 18.726 25.291 64.902 1.00 25.49 ? 266 LEU A CD1 1 +ATOM 2115 C CD2 . LEU A 1 266 ? 18.317 22.852 64.591 1.00 24.40 ? 266 LEU A CD2 1 +ATOM 2116 N N . PRO A 1 267 ? 13.409 22.681 65.750 1.00 56.02 ? 267 PRO A N 1 +ATOM 2117 C CA . PRO A 1 267 ? 12.109 22.830 66.422 1.00 56.07 ? 267 PRO A CA 1 +ATOM 2118 C C . PRO A 1 267 ? 12.268 23.916 67.488 1.00 57.70 ? 267 PRO A C 1 +ATOM 2119 O O . PRO A 1 267 ? 11.486 24.871 67.559 1.00 57.69 ? 267 PRO A O 1 +ATOM 2120 C CB . PRO A 1 267 ? 11.904 21.456 67.070 1.00 54.24 ? 267 PRO A CB 1 +ATOM 2121 C CG . PRO A 1 267 ? 12.749 20.525 66.222 1.00 54.23 ? 267 PRO A CG 1 +ATOM 2122 C CD . PRO A 1 267 ? 13.981 21.346 65.999 1.00 53.61 ? 267 PRO A CD 1 +ATOM 2123 N N . LYS A 1 268 ? 13.319 23.762 68.290 1.00 56.97 ? 268 LYS A N 1 +ATOM 2124 C CA . LYS A 1 268 ? 13.647 24.705 69.354 1.00 55.78 ? 268 LYS A CA 1 +ATOM 2125 C C . LYS A 1 268 ? 15.054 25.219 69.064 1.00 52.33 ? 268 LYS A C 1 +ATOM 2126 O O . LYS A 1 268 ? 15.909 24.470 68.577 1.00 50.71 ? 268 LYS A O 1 +ATOM 2127 C CB . LYS A 1 268 ? 13.603 24.004 70.722 1.00 50.45 ? 268 LYS A CB 1 +ATOM 2128 N N . PRO A 1 269 ? 15.280 26.527 69.263 1.00 49.43 ? 269 PRO A N 1 +ATOM 2129 C CA . PRO A 1 269 ? 16.599 27.120 69.021 1.00 53.68 ? 269 PRO A CA 1 +ATOM 2130 C C . PRO A 1 269 ? 17.693 26.440 69.857 1.00 57.87 ? 269 PRO A C 1 +ATOM 2131 O O . PRO A 1 269 ? 17.493 26.117 71.032 1.00 63.58 ? 269 PRO A O 1 +ATOM 2132 C CB . PRO A 1 269 ? 16.380 28.576 69.426 1.00 53.73 ? 269 PRO A CB 1 +ATOM 2133 C CG . PRO A 1 269 ? 14.958 28.813 69.026 1.00 51.47 ? 269 PRO A CG 1 +ATOM 2134 C CD . PRO A 1 269 ? 14.277 27.567 69.541 1.00 48.43 ? 269 PRO A CD 1 +ATOM 2135 N N . LEU A 1 270 ? 18.838 26.188 69.238 1.00 57.52 ? 270 LEU A N 1 +ATOM 2136 C CA . LEU A 1 270 ? 19.924 25.530 69.933 1.00 55.18 ? 270 LEU A CA 1 +ATOM 2137 C C . LEU A 1 270 ? 20.785 26.555 70.624 1.00 56.33 ? 270 LEU A C 1 +ATOM 2138 O O . LEU A 1 270 ? 20.774 27.739 70.266 1.00 59.13 ? 270 LEU A O 1 +ATOM 2139 C CB . LEU A 1 270 ? 20.806 24.748 68.956 1.00 54.46 ? 270 LEU A CB 1 +ATOM 2140 C CG . LEU A 1 270 ? 20.170 23.718 68.029 1.00 55.02 ? 270 LEU A CG 1 +ATOM 2141 C CD1 . LEU A 1 270 ? 21.268 23.056 67.217 1.00 59.93 ? 270 LEU A CD1 1 +ATOM 2142 C CD2 . LEU A 1 270 ? 19.386 22.687 68.819 1.00 56.98 ? 270 LEU A CD2 1 +ATOM 2143 N N . THR A 1 271 ? 21.536 26.073 71.608 1.00 53.93 ? 271 THR A N 1 +ATOM 2144 C CA . THR A 1 271 ? 22.471 26.872 72.377 1.00 46.98 ? 271 THR A CA 1 +ATOM 2145 C C . THR A 1 271 ? 23.647 25.913 72.578 1.00 41.64 ? 271 THR A C 1 +ATOM 2146 O O . THR A 1 271 ? 23.476 24.809 73.099 1.00 41.80 ? 271 THR A O 1 +ATOM 2147 C CB . THR A 1 271 ? 21.869 27.291 73.749 1.00 51.60 ? 271 THR A CB 1 +ATOM 2148 O OG1 . THR A 1 271 ? 20.701 28.117 73.558 1.00 50.69 ? 271 THR A OG1 1 +ATOM 2149 C CG2 . THR A 1 271 ? 22.895 28.055 74.557 1.00 52.29 ? 271 THR A CG2 1 +ATOM 2150 N N . LEU A 1 272 ? 24.820 26.292 72.086 1.00 40.54 ? 272 LEU A N 1 +ATOM 2151 C CA . LEU A 1 272 ? 26.003 25.443 72.211 1.00 37.65 ? 272 LEU A CA 1 +ATOM 2152 C C . LEU A 1 272 ? 26.943 26.045 73.232 1.00 37.94 ? 272 LEU A C 1 +ATOM 2153 O O . LEU A 1 272 ? 27.214 27.252 73.196 1.00 36.12 ? 272 LEU A O 1 +ATOM 2154 C CB . LEU A 1 272 ? 26.743 25.345 70.877 1.00 34.04 ? 272 LEU A CB 1 +ATOM 2155 C CG . LEU A 1 272 ? 25.987 24.968 69.605 1.00 43.46 ? 272 LEU A CG 1 +ATOM 2156 C CD1 . LEU A 1 272 ? 26.988 24.796 68.469 1.00 38.19 ? 272 LEU A CD1 1 +ATOM 2157 C CD2 . LEU A 1 272 ? 25.206 23.682 69.819 1.00 48.62 ? 272 LEU A CD2 1 +ATOM 2158 N N . ARG A 1 273 ? 27.434 25.208 74.139 1.00 36.44 ? 273 ARG A N 1 +ATOM 2159 C CA . ARG A 1 273 ? 28.375 25.649 75.172 1.00 39.57 ? 273 ARG A CA 1 +ATOM 2160 C C . ARG A 1 273 ? 29.710 24.904 74.938 1.00 39.64 ? 273 ARG A C 1 +ATOM 2161 O O . ARG A 1 273 ? 29.699 23.815 74.383 1.00 36.90 ? 273 ARG A O 1 +ATOM 2162 C CB . ARG A 1 273 ? 27.797 25.337 76.576 1.00 32.47 ? 273 ARG A CB 1 +ATOM 2163 N N . TRP A 1 274 ? 30.844 25.510 75.290 1.00 42.18 ? 274 TRP A N 1 +ATOM 2164 C CA . TRP A 1 274 ? 32.135 24.845 75.106 1.00 46.30 ? 274 TRP A CA 1 +ATOM 2165 C C . TRP A 1 274 ? 32.427 23.913 76.294 1.00 50.65 ? 274 TRP A C 1 +ATOM 2166 O O . TRP A 1 274 ? 33.295 24.174 77.119 1.00 43.13 ? 274 TRP A O 1 +ATOM 2167 C CB . TRP A 1 274 ? 33.246 25.878 74.943 1.00 40.82 ? 274 TRP A CB 1 +ATOM 2168 C CG . TRP A 1 274 ? 34.633 25.307 74.816 1.00 36.41 ? 274 TRP A CG 1 +ATOM 2169 C CD1 . TRP A 1 274 ? 35.689 25.553 75.642 1.00 34.59 ? 274 TRP A CD1 1 +ATOM 2170 C CD2 . TRP A 1 274 ? 35.119 24.416 73.793 1.00 30.60 ? 274 TRP A CD2 1 +ATOM 2171 N NE1 . TRP A 1 274 ? 36.801 24.878 75.203 1.00 38.32 ? 274 TRP A NE1 1 +ATOM 2172 C CE2 . TRP A 1 274 ? 36.483 24.171 74.069 1.00 32.94 ? 274 TRP A CE2 1 +ATOM 2173 C CE3 . TRP A 1 274 ? 34.542 23.808 72.676 1.00 27.74 ? 274 TRP A CE3 1 +ATOM 2174 C CZ2 . TRP A 1 274 ? 37.282 23.341 73.266 1.00 30.71 ? 274 TRP A CZ2 1 +ATOM 2175 C CZ3 . TRP A 1 274 ? 35.333 22.984 71.875 1.00 32.88 ? 274 TRP A CZ3 1 +ATOM 2176 C CH2 . TRP A 1 274 ? 36.691 22.759 72.176 1.00 31.20 ? 274 TRP A CH2 1 +ATOM 2177 N N . GLU A 1 275 ? 31.695 22.810 76.339 1.00 61.33 ? 275 GLU A N 1 +ATOM 2178 C CA . GLU A 1 275 ? 31.808 21.857 77.421 1.00 73.68 ? 275 GLU A CA 1 +ATOM 2179 C C . GLU A 1 275 ? 32.413 20.539 76.950 1.00 77.08 ? 275 GLU A C 1 +ATOM 2180 O O . GLU A 1 275 ? 33.611 20.513 76.643 1.00 78.51 ? 275 GLU A O 1 +ATOM 2181 C CB . GLU A 1 275 ? 30.423 21.634 78.038 1.00 78.31 ? 275 GLU A CB 1 +ATOM 2182 C CG . GLU A 1 275 ? 29.767 22.915 78.568 1.00 91.41 ? 275 GLU A CG 1 +ATOM 2183 C CD . GLU A 1 275 ? 28.379 22.689 79.191 1.00 98.22 ? 275 GLU A CD 1 +ATOM 2184 O OE1 . GLU A 1 275 ? 27.443 22.313 78.453 1.00 100.00 ? 275 GLU A OE1 1 +ATOM 2185 O OE2 . GLU A 1 275 ? 28.214 22.908 80.412 1.00 100.00 ? 275 GLU A OE2 1 +ATOM 2186 O OXT . GLU A 1 275 ? 31.743 19.490 76.947 1.00 81.19 ? 275 GLU A OXT 1 +ATOM 2187 N N . ILE B 2 2 ? 28.359 52.163 42.324 1.00 88.79 ? 1 ILE B N 1 +ATOM 2188 C CA . ILE B 2 2 ? 29.504 52.506 43.222 1.00 86.93 ? 1 ILE B CA 1 +ATOM 2189 C C . ILE B 2 2 ? 30.315 51.230 43.422 1.00 79.61 ? 1 ILE B C 1 +ATOM 2190 O O . ILE B 2 2 ? 29.746 50.161 43.661 1.00 79.44 ? 1 ILE B O 1 +ATOM 2191 C CB . ILE B 2 2 ? 29.014 53.053 44.603 1.00 91.69 ? 1 ILE B CB 1 +ATOM 2192 C CG1 . ILE B 2 2 ? 28.014 54.202 44.396 1.00 96.23 ? 1 ILE B CG1 1 +ATOM 2193 C CG2 . ILE B 2 2 ? 30.204 53.537 45.446 1.00 88.66 ? 1 ILE B CG2 1 +ATOM 2194 C CD1 . ILE B 2 2 ? 28.565 55.387 43.585 1.00 99.05 ? 1 ILE B CD1 1 +ATOM 2195 N N . GLN B 2 3 ? 31.628 51.340 43.248 1.00 68.60 ? 2 GLN B N 1 +ATOM 2196 C CA . GLN B 2 3 ? 32.521 50.201 43.387 1.00 57.16 ? 2 GLN B CA 1 +ATOM 2197 C C . GLN B 2 3 ? 32.591 49.644 44.805 1.00 52.72 ? 2 GLN B C 1 +ATOM 2198 O O . GLN B 2 3 ? 33.028 50.327 45.726 1.00 55.46 ? 2 GLN B O 1 +ATOM 2199 C CB . GLN B 2 3 ? 33.933 50.571 42.917 1.00 55.51 ? 2 GLN B CB 1 +ATOM 2200 C CG . GLN B 2 3 ? 34.062 50.871 41.429 1.00 52.58 ? 2 GLN B CG 1 +ATOM 2201 C CD . GLN B 2 3 ? 35.508 50.996 40.968 1.00 49.51 ? 2 GLN B CD 1 +ATOM 2202 O OE1 . GLN B 2 3 ? 36.441 50.895 41.759 1.00 53.52 ? 2 GLN B OE1 1 +ATOM 2203 N NE2 . GLN B 2 3 ? 35.695 51.203 39.674 1.00 53.60 ? 2 GLN B NE2 1 +ATOM 2204 N N . ARG B 2 4 ? 32.132 48.413 44.980 1.00 47.40 ? 3 ARG B N 1 +ATOM 2205 C CA . ARG B 2 4 ? 32.185 47.748 46.273 1.00 45.51 ? 3 ARG B CA 1 +ATOM 2206 C C . ARG B 2 4 ? 33.148 46.587 46.054 1.00 45.96 ? 3 ARG B C 1 +ATOM 2207 O O . ARG B 2 4 ? 33.058 45.877 45.049 1.00 45.74 ? 3 ARG B O 1 +ATOM 2208 C CB . ARG B 2 4 ? 30.811 47.224 46.694 1.00 47.29 ? 3 ARG B CB 1 +ATOM 2209 C CG . ARG B 2 4 ? 29.696 48.267 46.719 1.00 48.91 ? 3 ARG B CG 1 +ATOM 2210 C CD . ARG B 2 4 ? 28.326 47.614 46.949 1.00 47.40 ? 3 ARG B CD 1 +ATOM 2211 N NE . ARG B 2 4 ? 27.255 48.345 46.274 1.00 51.23 ? 3 ARG B NE 1 +ATOM 2212 C CZ . ARG B 2 4 ? 26.200 47.771 45.705 1.00 54.69 ? 3 ARG B CZ 1 +ATOM 2213 N NH1 . ARG B 2 4 ? 26.060 46.452 45.724 1.00 52.66 ? 3 ARG B NH1 1 +ATOM 2214 N NH2 . ARG B 2 4 ? 25.291 48.516 45.094 1.00 60.15 ? 3 ARG B NH2 1 +ATOM 2215 N N . THR B 2 5 ? 34.080 46.418 46.986 1.00 48.32 ? 4 THR B N 1 +ATOM 2216 C CA . THR B 2 5 ? 35.110 45.380 46.913 1.00 44.22 ? 4 THR B CA 1 +ATOM 2217 C C . THR B 2 5 ? 34.629 43.997 47.368 1.00 38.77 ? 4 THR B C 1 +ATOM 2218 O O . THR B 2 5 ? 33.750 43.882 48.227 1.00 36.63 ? 4 THR B O 1 +ATOM 2219 C CB . THR B 2 5 ? 36.371 45.835 47.708 1.00 50.30 ? 4 THR B CB 1 +ATOM 2220 O OG1 . THR B 2 5 ? 37.536 45.164 47.209 1.00 48.52 ? 4 THR B OG1 1 +ATOM 2221 C CG2 . THR B 2 5 ? 36.200 45.590 49.211 1.00 51.54 ? 4 THR B CG2 1 +ATOM 2222 N N . PRO B 2 6 ? 35.216 42.931 46.798 1.00 35.53 ? 5 PRO B N 1 +ATOM 2223 C CA . PRO B 2 6 ? 34.875 41.539 47.105 1.00 37.33 ? 5 PRO B CA 1 +ATOM 2224 C C . PRO B 2 6 ? 35.056 41.099 48.562 1.00 44.27 ? 5 PRO B C 1 +ATOM 2225 O O . PRO B 2 6 ? 35.989 41.534 49.245 1.00 50.42 ? 5 PRO B O 1 +ATOM 2226 C CB . PRO B 2 6 ? 35.845 40.742 46.218 1.00 27.35 ? 5 PRO B CB 1 +ATOM 2227 C CG . PRO B 2 6 ? 36.258 41.664 45.179 1.00 22.60 ? 5 PRO B CG 1 +ATOM 2228 C CD . PRO B 2 6 ? 36.341 42.986 45.849 1.00 31.38 ? 5 PRO B CD 1 +ATOM 2229 N N . LYS B 2 7 ? 34.176 40.212 49.017 1.00 43.47 ? 6 LYS B N 1 +ATOM 2230 C CA . LYS B 2 7 ? 34.278 39.633 50.350 1.00 46.10 ? 6 LYS B CA 1 +ATOM 2231 C C . LYS B 2 7 ? 34.605 38.169 50.035 1.00 45.92 ? 6 LYS B C 1 +ATOM 2232 O O . LYS B 2 7 ? 33.727 37.392 49.637 1.00 45.10 ? 6 LYS B O 1 +ATOM 2233 C CB . LYS B 2 7 ? 32.964 39.782 51.126 1.00 45.94 ? 6 LYS B CB 1 +ATOM 2234 C CG . LYS B 2 7 ? 32.708 41.211 51.600 1.00 43.20 ? 6 LYS B CG 1 +ATOM 2235 C CD . LYS B 2 7 ? 31.334 41.361 52.229 1.00 45.35 ? 6 LYS B CD 1 +ATOM 2236 C CE . LYS B 2 7 ? 30.239 41.161 51.200 1.00 43.26 ? 6 LYS B CE 1 +ATOM 2237 N NZ . LYS B 2 7 ? 28.886 41.065 51.801 1.00 38.46 ? 6 LYS B NZ 1 +ATOM 2238 N N . ILE B 2 8 ? 35.900 37.858 50.120 1.00 42.01 ? 7 ILE B N 1 +ATOM 2239 C CA . ILE B 2 8 ? 36.469 36.542 49.814 1.00 36.44 ? 7 ILE B CA 1 +ATOM 2240 C C . ILE B 2 8 ? 36.488 35.509 50.954 1.00 39.16 ? 7 ILE B C 1 +ATOM 2241 O O . ILE B 2 8 ? 36.882 35.807 52.088 1.00 42.42 ? 7 ILE B O 1 +ATOM 2242 C CB . ILE B 2 8 ? 37.924 36.724 49.307 1.00 33.09 ? 7 ILE B CB 1 +ATOM 2243 C CG1 . ILE B 2 8 ? 37.992 37.905 48.342 1.00 26.15 ? 7 ILE B CG1 1 +ATOM 2244 C CG2 . ILE B 2 8 ? 38.446 35.458 48.625 1.00 28.95 ? 7 ILE B CG2 1 +ATOM 2245 C CD1 . ILE B 2 8 ? 39.330 38.586 48.348 1.00 18.31 ? 7 ILE B CD1 1 +ATOM 2246 N N . GLN B 2 9 ? 36.128 34.275 50.613 1.00 33.63 ? 8 GLN B N 1 +ATOM 2247 C CA . GLN B 2 9 ? 36.118 33.177 51.559 1.00 31.78 ? 8 GLN B CA 1 +ATOM 2248 C C . GLN B 2 9 ? 36.528 31.901 50.853 1.00 34.61 ? 8 GLN B C 1 +ATOM 2249 O O . GLN B 2 9 ? 35.821 31.458 49.950 1.00 35.25 ? 8 GLN B O 1 +ATOM 2250 C CB . GLN B 2 9 ? 34.725 32.928 52.114 1.00 30.32 ? 8 GLN B CB 1 +ATOM 2251 C CG . GLN B 2 9 ? 34.153 33.963 53.049 1.00 29.61 ? 8 GLN B CG 1 +ATOM 2252 C CD . GLN B 2 9 ? 32.932 33.408 53.766 1.00 29.33 ? 8 GLN B CD 1 +ATOM 2253 O OE1 . GLN B 2 9 ? 32.996 32.337 54.361 1.00 36.74 ? 8 GLN B OE1 1 +ATOM 2254 N NE2 . GLN B 2 9 ? 31.809 34.102 53.673 1.00 31.57 ? 8 GLN B NE2 1 +ATOM 2255 N N . VAL B 2 10 ? 37.641 31.307 51.294 1.00 35.38 ? 9 VAL B N 1 +ATOM 2256 C CA . VAL B 2 10 ? 38.171 30.039 50.765 1.00 31.71 ? 9 VAL B CA 1 +ATOM 2257 C C . VAL B 2 10 ? 37.845 28.978 51.814 1.00 29.53 ? 9 VAL B C 1 +ATOM 2258 O O . VAL B 2 10 ? 38.111 29.172 52.992 1.00 35.84 ? 9 VAL B O 1 +ATOM 2259 C CB . VAL B 2 10 ? 39.714 30.068 50.621 1.00 29.47 ? 9 VAL B CB 1 +ATOM 2260 C CG1 . VAL B 2 10 ? 40.197 28.860 49.837 1.00 22.08 ? 9 VAL B CG1 1 +ATOM 2261 C CG2 . VAL B 2 10 ? 40.163 31.359 49.981 1.00 29.24 ? 9 VAL B CG2 1 +ATOM 2262 N N . TYR B 2 11 ? 37.267 27.868 51.391 1.00 29.43 ? 10 TYR B N 1 +ATOM 2263 C CA . TYR B 2 11 ? 36.897 26.791 52.300 1.00 30.08 ? 10 TYR B CA 1 +ATOM 2264 C C . TYR B 2 11 ? 36.650 25.520 51.504 1.00 35.03 ? 10 TYR B C 1 +ATOM 2265 O O . TYR B 2 11 ? 36.648 25.549 50.285 1.00 39.52 ? 10 TYR B O 1 +ATOM 2266 C CB . TYR B 2 11 ? 35.626 27.155 53.071 1.00 27.44 ? 10 TYR B CB 1 +ATOM 2267 C CG . TYR B 2 11 ? 34.464 27.584 52.205 1.00 25.41 ? 10 TYR B CG 1 +ATOM 2268 C CD1 . TYR B 2 11 ? 34.384 28.892 51.718 1.00 32.43 ? 10 TYR B CD1 1 +ATOM 2269 C CD2 . TYR B 2 11 ? 33.434 26.698 51.887 1.00 23.49 ? 10 TYR B CD2 1 +ATOM 2270 C CE1 . TYR B 2 11 ? 33.307 29.315 50.936 1.00 31.78 ? 10 TYR B CE1 1 +ATOM 2271 C CE2 . TYR B 2 11 ? 32.343 27.108 51.103 1.00 27.41 ? 10 TYR B CE2 1 +ATOM 2272 C CZ . TYR B 2 11 ? 32.290 28.422 50.631 1.00 32.32 ? 10 TYR B CZ 1 +ATOM 2273 O OH . TYR B 2 11 ? 31.230 28.845 49.856 1.00 35.84 ? 10 TYR B OH 1 +ATOM 2274 N N . SER B 2 12 ? 36.424 24.406 52.178 1.00 33.51 ? 11 SER B N 1 +ATOM 2275 C CA . SER B 2 12 ? 36.168 23.167 51.480 1.00 35.29 ? 11 SER B CA 1 +ATOM 2276 C C . SER B 2 12 ? 34.714 22.827 51.765 1.00 39.42 ? 11 SER B C 1 +ATOM 2277 O O . SER B 2 12 ? 34.151 23.314 52.748 1.00 41.66 ? 11 SER B O 1 +ATOM 2278 C CB . SER B 2 12 ? 37.125 22.083 51.967 1.00 41.18 ? 11 SER B CB 1 +ATOM 2279 O OG . SER B 2 12 ? 37.250 22.100 53.381 1.00 46.30 ? 11 SER B OG 1 +ATOM 2280 N N . ARG B 2 13 ? 34.089 22.038 50.895 1.00 40.02 ? 12 ARG B N 1 +ATOM 2281 C CA . ARG B 2 13 ? 32.677 21.685 51.072 1.00 43.55 ? 12 ARG B CA 1 +ATOM 2282 C C . ARG B 2 13 ? 32.389 20.831 52.318 1.00 44.86 ? 12 ARG B C 1 +ATOM 2283 O O . ARG B 2 13 ? 31.440 21.078 53.078 1.00 41.53 ? 12 ARG B O 1 +ATOM 2284 C CB . ARG B 2 13 ? 32.148 20.972 49.827 1.00 41.27 ? 12 ARG B CB 1 +ATOM 2285 C CG . ARG B 2 13 ? 30.665 20.658 49.906 1.00 46.06 ? 12 ARG B CG 1 +ATOM 2286 C CD . ARG B 2 13 ? 30.214 19.792 48.758 1.00 44.49 ? 12 ARG B CD 1 +ATOM 2287 N NE . ARG B 2 13 ? 30.428 20.438 47.472 1.00 41.93 ? 12 ARG B NE 1 +ATOM 2288 C CZ . ARG B 2 13 ? 30.324 19.821 46.299 1.00 40.76 ? 12 ARG B CZ 1 +ATOM 2289 N NH1 . ARG B 2 13 ? 30.012 18.533 46.237 1.00 31.38 ? 12 ARG B NH1 1 +ATOM 2290 N NH2 . ARG B 2 13 ? 30.534 20.500 45.181 1.00 40.62 ? 12 ARG B NH2 1 +ATOM 2291 N N . HIS B 2 14 ? 33.180 19.778 52.469 1.00 47.41 ? 13 HIS B N 1 +ATOM 2292 C CA . HIS B 2 14 ? 33.055 18.853 53.578 1.00 45.94 ? 13 HIS B CA 1 +ATOM 2293 C C . HIS B 2 14 ? 34.254 19.074 54.506 1.00 52.70 ? 13 HIS B C 1 +ATOM 2294 O O . HIS B 2 14 ? 35.231 19.732 54.114 1.00 51.01 ? 13 HIS B O 1 +ATOM 2295 C CB . HIS B 2 14 ? 33.063 17.425 53.032 1.00 36.57 ? 13 HIS B CB 1 +ATOM 2296 C CG . HIS B 2 14 ? 32.045 17.178 51.962 1.00 32.63 ? 13 HIS B CG 1 +ATOM 2297 N ND1 . HIS B 2 14 ? 30.689 17.325 52.171 1.00 38.96 ? 13 HIS B ND1 1 +ATOM 2298 C CD2 . HIS B 2 14 ? 32.183 16.759 50.683 1.00 35.51 ? 13 HIS B CD2 1 +ATOM 2299 C CE1 . HIS B 2 14 ? 30.036 17.002 51.070 1.00 35.09 ? 13 HIS B CE1 1 +ATOM 2300 N NE2 . HIS B 2 14 ? 30.918 16.655 50.151 1.00 38.48 ? 13 HIS B NE2 1 +ATOM 2301 N N . PRO B 2 15 ? 34.175 18.594 55.767 1.00 55.92 ? 14 PRO B N 1 +ATOM 2302 C CA . PRO B 2 15 ? 35.315 18.788 56.669 1.00 55.18 ? 14 PRO B CA 1 +ATOM 2303 C C . PRO B 2 15 ? 36.587 18.175 56.072 1.00 56.57 ? 14 PRO B C 1 +ATOM 2304 O O . PRO B 2 15 ? 36.598 17.013 55.649 1.00 54.73 ? 14 PRO B O 1 +ATOM 2305 C CB . PRO B 2 15 ? 34.858 18.071 57.936 1.00 54.41 ? 14 PRO B CB 1 +ATOM 2306 C CG . PRO B 2 15 ? 33.382 18.352 57.937 1.00 50.80 ? 14 PRO B CG 1 +ATOM 2307 C CD . PRO B 2 15 ? 33.020 18.045 56.505 1.00 56.18 ? 14 PRO B CD 1 +ATOM 2308 N N . ALA B 2 16 ? 37.634 18.992 55.991 1.00 59.29 ? 15 ALA B N 1 +ATOM 2309 C CA . ALA B 2 16 ? 38.916 18.588 55.428 1.00 62.31 ? 15 ALA B CA 1 +ATOM 2310 C C . ALA B 2 16 ? 39.523 17.342 56.076 1.00 65.83 ? 15 ALA B C 1 +ATOM 2311 O O . ALA B 2 16 ? 40.105 17.410 57.163 1.00 66.80 ? 15 ALA B O 1 +ATOM 2312 C CB . ALA B 2 16 ? 39.899 19.758 55.489 1.00 54.51 ? 15 ALA B CB 1 +ATOM 2313 N N . GLU B 2 17 ? 39.361 16.203 55.412 1.00 66.12 ? 16 GLU B N 1 +ATOM 2314 C CA . GLU B 2 17 ? 39.911 14.953 55.904 1.00 69.34 ? 16 GLU B CA 1 +ATOM 2315 C C . GLU B 2 17 ? 41.012 14.506 54.954 1.00 65.44 ? 16 GLU B C 1 +ATOM 2316 O O . GLU B 2 17 ? 40.719 14.065 53.847 1.00 67.29 ? 16 GLU B O 1 +ATOM 2317 C CB . GLU B 2 17 ? 38.818 13.886 55.997 1.00 77.80 ? 16 GLU B CB 1 +ATOM 2318 C CG . GLU B 2 17 ? 37.817 14.114 57.139 1.00 90.03 ? 16 GLU B CG 1 +ATOM 2319 C CD . GLU B 2 17 ? 36.854 12.941 57.350 1.00 97.13 ? 16 GLU B CD 1 +ATOM 2320 O OE1 . GLU B 2 17 ? 37.254 11.774 57.120 1.00 99.97 ? 16 GLU B OE1 1 +ATOM 2321 O OE2 . GLU B 2 17 ? 35.696 13.185 57.760 1.00 99.24 ? 16 GLU B OE2 1 +ATOM 2322 N N . ASN B 2 18 ? 42.268 14.638 55.388 1.00 61.50 ? 17 ASN B N 1 +ATOM 2323 C CA . ASN B 2 18 ? 43.445 14.264 54.590 1.00 56.95 ? 17 ASN B CA 1 +ATOM 2324 C C . ASN B 2 18 ? 43.304 12.956 53.842 1.00 59.89 ? 17 ASN B C 1 +ATOM 2325 O O . ASN B 2 18 ? 42.844 11.968 54.405 1.00 64.97 ? 17 ASN B O 1 +ATOM 2326 C CB . ASN B 2 18 ? 44.684 14.177 55.470 1.00 48.13 ? 17 ASN B CB 1 +ATOM 2327 C CG . ASN B 2 18 ? 45.064 15.499 56.041 1.00 46.58 ? 17 ASN B CG 1 +ATOM 2328 O OD1 . ASN B 2 18 ? 44.332 16.467 55.901 1.00 46.33 ? 17 ASN B OD1 1 +ATOM 2329 N ND2 . ASN B 2 18 ? 46.212 15.560 56.694 1.00 47.33 ? 17 ASN B ND2 1 +ATOM 2330 N N . GLY B 2 19 ? 43.718 12.949 52.579 1.00 59.88 ? 18 GLY B N 1 +ATOM 2331 C CA . GLY B 2 19 ? 43.627 11.747 51.773 1.00 60.08 ? 18 GLY B CA 1 +ATOM 2332 C C . GLY B 2 19 ? 42.234 11.475 51.235 1.00 61.89 ? 18 GLY B C 1 +ATOM 2333 O O . GLY B 2 19 ? 42.068 10.598 50.385 1.00 63.12 ? 18 GLY B O 1 +ATOM 2334 N N . LYS B 2 20 ? 41.244 12.246 51.686 1.00 63.16 ? 19 LYS B N 1 +ATOM 2335 C CA . LYS B 2 20 ? 39.856 12.075 51.247 1.00 67.37 ? 19 LYS B CA 1 +ATOM 2336 C C . LYS B 2 20 ? 39.355 13.188 50.308 1.00 69.30 ? 19 LYS B C 1 +ATOM 2337 O O . LYS B 2 20 ? 39.545 14.384 50.568 1.00 66.94 ? 19 LYS B O 1 +ATOM 2338 C CB . LYS B 2 20 ? 38.924 11.927 52.462 1.00 65.83 ? 19 LYS B CB 1 +ATOM 2339 N N . SER B 2 21 ? 38.722 12.763 49.213 1.00 72.77 ? 20 SER B N 1 +ATOM 2340 C CA . SER B 2 21 ? 38.169 13.648 48.184 1.00 73.87 ? 20 SER B CA 1 +ATOM 2341 C C . SER B 2 21 ? 37.151 14.646 48.728 1.00 70.84 ? 20 SER B C 1 +ATOM 2342 O O . SER B 2 21 ? 36.191 14.279 49.409 1.00 70.59 ? 20 SER B O 1 +ATOM 2343 C CB . SER B 2 21 ? 37.514 12.815 47.082 1.00 76.53 ? 20 SER B CB 1 +ATOM 2344 O OG . SER B 2 21 ? 38.360 11.745 46.693 1.00 86.99 ? 20 SER B OG 1 +ATOM 2345 N N . ASN B 2 22 ? 37.329 15.903 48.351 1.00 65.49 ? 21 ASN B N 1 +ATOM 2346 C CA . ASN B 2 22 ? 36.459 16.977 48.800 1.00 59.00 ? 21 ASN B CA 1 +ATOM 2347 C C . ASN B 2 22 ? 36.529 18.031 47.687 1.00 60.13 ? 21 ASN B C 1 +ATOM 2348 O O . ASN B 2 22 ? 37.054 17.753 46.598 1.00 62.77 ? 21 ASN B O 1 +ATOM 2349 C CB . ASN B 2 22 ? 37.028 17.518 50.120 1.00 54.69 ? 21 ASN B CB 1 +ATOM 2350 C CG . ASN B 2 22 ? 36.071 18.436 50.864 1.00 46.85 ? 21 ASN B CG 1 +ATOM 2351 O OD1 . ASN B 2 22 ? 34.943 18.682 50.442 1.00 44.91 ? 21 ASN B OD1 1 +ATOM 2352 N ND2 . ASN B 2 22 ? 36.524 18.941 51.990 1.00 45.60 ? 21 ASN B ND2 1 +ATOM 2353 N N . PHE B 2 23 ? 35.972 19.214 47.930 1.00 56.56 ? 22 PHE B N 1 +ATOM 2354 C CA . PHE B 2 23 ? 35.997 20.289 46.951 1.00 49.28 ? 22 PHE B CA 1 +ATOM 2355 C C . PHE B 2 23 ? 36.501 21.563 47.575 1.00 46.80 ? 22 PHE B C 1 +ATOM 2356 O O . PHE B 2 23 ? 36.196 21.866 48.735 1.00 45.11 ? 22 PHE B O 1 +ATOM 2357 C CB . PHE B 2 23 ? 34.611 20.537 46.384 1.00 52.40 ? 22 PHE B CB 1 +ATOM 2358 C CG . PHE B 2 23 ? 34.164 19.494 45.415 1.00 58.83 ? 22 PHE B CG 1 +ATOM 2359 C CD1 . PHE B 2 23 ? 33.640 18.281 45.862 1.00 58.46 ? 22 PHE B CD1 1 +ATOM 2360 C CD2 . PHE B 2 23 ? 34.251 19.727 44.048 1.00 61.12 ? 22 PHE B CD2 1 +ATOM 2361 C CE1 . PHE B 2 23 ? 33.210 17.312 44.961 1.00 56.47 ? 22 PHE B CE1 1 +ATOM 2362 C CE2 . PHE B 2 23 ? 33.822 18.765 43.135 1.00 61.55 ? 22 PHE B CE2 1 +ATOM 2363 C CZ . PHE B 2 23 ? 33.298 17.553 43.593 1.00 59.31 ? 22 PHE B CZ 1 +ATOM 2364 N N . LEU B 2 24 ? 37.346 22.262 46.830 1.00 45.03 ? 23 LEU B N 1 +ATOM 2365 C CA . LEU B 2 24 ? 37.896 23.528 47.279 1.00 42.35 ? 23 LEU B CA 1 +ATOM 2366 C C . LEU B 2 24 ? 36.998 24.626 46.738 1.00 40.88 ? 23 LEU B C 1 +ATOM 2367 O O . LEU B 2 24 ? 36.817 24.760 45.531 1.00 47.81 ? 23 LEU B O 1 +ATOM 2368 C CB . LEU B 2 24 ? 39.323 23.712 46.779 1.00 37.10 ? 23 LEU B CB 1 +ATOM 2369 C CG . LEU B 2 24 ? 40.010 24.945 47.352 1.00 36.36 ? 23 LEU B CG 1 +ATOM 2370 C CD1 . LEU B 2 24 ? 39.951 24.941 48.875 1.00 28.89 ? 23 LEU B CD1 1 +ATOM 2371 C CD2 . LEU B 2 24 ? 41.438 24.951 46.871 1.00 39.94 ? 23 LEU B CD2 1 +ATOM 2372 N N . ASN B 2 25 ? 36.414 25.387 47.648 1.00 39.58 ? 24 ASN B N 1 +ATOM 2373 C CA . ASN B 2 25 ? 35.504 26.465 47.303 1.00 34.99 ? 24 ASN B CA 1 +ATOM 2374 C C . ASN B 2 25 ? 36.101 27.854 47.549 1.00 32.98 ? 24 ASN B C 1 +ATOM 2375 O O . ASN B 2 25 ? 36.902 28.048 48.461 1.00 32.50 ? 24 ASN B O 1 +ATOM 2376 C CB . ASN B 2 25 ? 34.186 26.323 48.100 1.00 29.86 ? 24 ASN B CB 1 +ATOM 2377 C CG . ASN B 2 25 ? 33.349 25.117 47.673 1.00 27.79 ? 24 ASN B CG 1 +ATOM 2378 O OD1 . ASN B 2 25 ? 33.667 24.435 46.709 1.00 40.64 ? 24 ASN B OD1 1 +ATOM 2379 N ND2 . ASN B 2 25 ? 32.264 24.867 48.385 1.00 29.57 ? 24 ASN B ND2 1 +ATOM 2380 N N . CYS B 2 26 ? 35.809 28.783 46.650 1.00 31.32 ? 25 CYS B N 1 +ATOM 2381 C CA . CYS B 2 26 ? 36.224 30.163 46.824 1.00 26.38 ? 25 CYS B CA 1 +ATOM 2382 C C . CYS B 2 26 ? 34.909 30.876 46.549 1.00 28.23 ? 25 CYS B C 1 +ATOM 2383 O O . CYS B 2 26 ? 34.172 30.498 45.651 1.00 33.37 ? 25 CYS B O 1 +ATOM 2384 C CB . CYS B 2 26 ? 37.325 30.591 45.870 1.00 22.65 ? 25 CYS B CB 1 +ATOM 2385 S SG . CYS B 2 26 ? 37.950 32.261 46.290 1.00 27.42 ? 25 CYS B SG 1 +ATOM 2386 N N . TYR B 2 27 ? 34.543 31.801 47.415 1.00 26.85 ? 26 TYR B N 1 +ATOM 2387 C CA . TYR B 2 27 ? 33.283 32.502 47.286 1.00 22.67 ? 26 TYR B CA 1 +ATOM 2388 C C . TYR B 2 27 ? 33.654 33.938 47.469 1.00 27.36 ? 26 TYR B C 1 +ATOM 2389 O O . TYR B 2 27 ? 34.409 34.264 48.379 1.00 34.28 ? 26 TYR B O 1 +ATOM 2390 C CB . TYR B 2 27 ? 32.347 32.043 48.416 1.00 28.46 ? 26 TYR B CB 1 +ATOM 2391 C CG . TYR B 2 27 ? 30.936 32.602 48.402 1.00 25.30 ? 26 TYR B CG 1 +ATOM 2392 C CD1 . TYR B 2 27 ? 30.021 32.236 47.407 1.00 18.89 ? 26 TYR B CD1 1 +ATOM 2393 C CD2 . TYR B 2 27 ? 30.512 33.494 49.392 1.00 24.13 ? 26 TYR B CD2 1 +ATOM 2394 C CE1 . TYR B 2 27 ? 28.719 32.747 47.396 1.00 19.03 ? 26 TYR B CE1 1 +ATOM 2395 C CE2 . TYR B 2 27 ? 29.212 34.009 49.390 1.00 21.25 ? 26 TYR B CE2 1 +ATOM 2396 C CZ . TYR B 2 27 ? 28.325 33.632 48.389 1.00 25.52 ? 26 TYR B CZ 1 +ATOM 2397 O OH . TYR B 2 27 ? 27.053 34.151 48.380 1.00 30.02 ? 26 TYR B OH 1 +ATOM 2398 N N . VAL B 2 28 ? 33.241 34.770 46.529 1.00 28.46 ? 27 VAL B N 1 +ATOM 2399 C CA . VAL B 2 28 ? 33.506 36.200 46.589 1.00 24.41 ? 27 VAL B CA 1 +ATOM 2400 C C . VAL B 2 28 ? 32.125 36.822 46.499 1.00 20.22 ? 27 VAL B C 1 +ATOM 2401 O O . VAL B 2 28 ? 31.274 36.322 45.779 1.00 19.48 ? 27 VAL B O 1 +ATOM 2402 C CB . VAL B 2 28 ? 34.401 36.653 45.418 1.00 26.87 ? 27 VAL B CB 1 +ATOM 2403 C CG1 . VAL B 2 28 ? 35.797 36.097 45.574 1.00 24.99 ? 27 VAL B CG1 1 +ATOM 2404 C CG2 . VAL B 2 28 ? 33.837 36.163 44.103 1.00 39.70 ? 27 VAL B CG2 1 +ATOM 2405 N N . SER B 2 29 ? 31.863 37.869 47.263 1.00 22.39 ? 28 SER B N 1 +ATOM 2406 C CA . SER B 2 29 ? 30.539 38.453 47.220 1.00 21.84 ? 28 SER B CA 1 +ATOM 2407 C C . SER B 2 29 ? 30.543 39.915 47.580 1.00 21.57 ? 28 SER B C 1 +ATOM 2408 O O . SER B 2 29 ? 31.590 40.482 47.876 1.00 23.72 ? 28 SER B O 1 +ATOM 2409 C CB . SER B 2 29 ? 29.605 37.701 48.166 1.00 29.46 ? 28 SER B CB 1 +ATOM 2410 O OG . SER B 2 29 ? 29.985 37.912 49.511 1.00 40.78 ? 28 SER B OG 1 +ATOM 2411 N N . GLY B 2 30 ? 29.360 40.519 47.524 1.00 18.00 ? 29 GLY B N 1 +ATOM 2412 C CA . GLY B 2 30 ? 29.211 41.921 47.843 1.00 21.22 ? 29 GLY B CA 1 +ATOM 2413 C C . GLY B 2 30 ? 30.045 42.871 47.006 1.00 26.36 ? 29 GLY B C 1 +ATOM 2414 O O . GLY B 2 30 ? 30.348 43.971 47.472 1.00 32.16 ? 29 GLY B O 1 +ATOM 2415 N N . PHE B 2 31 ? 30.411 42.473 45.781 1.00 32.90 ? 30 PHE B N 1 +ATOM 2416 C CA . PHE B 2 31 ? 31.200 43.336 44.886 1.00 26.74 ? 30 PHE B CA 1 +ATOM 2417 C C . PHE B 2 31 ? 30.413 43.996 43.756 1.00 28.08 ? 30 PHE B C 1 +ATOM 2418 O O . PHE B 2 31 ? 29.242 43.678 43.494 1.00 20.38 ? 30 PHE B O 1 +ATOM 2419 C CB . PHE B 2 31 ? 32.425 42.622 44.309 1.00 22.86 ? 30 PHE B CB 1 +ATOM 2420 C CG . PHE B 2 31 ? 32.129 41.308 43.632 1.00 28.09 ? 30 PHE B CG 1 +ATOM 2421 C CD1 . PHE B 2 31 ? 31.774 40.189 44.369 1.00 30.98 ? 30 PHE B CD1 1 +ATOM 2422 C CD2 . PHE B 2 31 ? 32.260 41.175 42.259 1.00 34.85 ? 30 PHE B CD2 1 +ATOM 2423 C CE1 . PHE B 2 31 ? 31.560 38.952 43.749 1.00 32.07 ? 30 PHE B CE1 1 +ATOM 2424 C CE2 . PHE B 2 31 ? 32.049 39.941 41.634 1.00 35.09 ? 30 PHE B CE2 1 +ATOM 2425 C CZ . PHE B 2 31 ? 31.698 38.831 42.385 1.00 30.57 ? 30 PHE B CZ 1 +ATOM 2426 N N . HIS B 2 32 ? 31.032 45.014 43.175 1.00 30.56 ? 31 HIS B N 1 +ATOM 2427 C CA . HIS B 2 32 ? 30.446 45.735 42.060 1.00 34.97 ? 31 HIS B CA 1 +ATOM 2428 C C . HIS B 2 32 ? 31.508 46.676 41.498 1.00 39.34 ? 31 HIS B C 1 +ATOM 2429 O O . HIS B 2 32 ? 32.164 47.397 42.259 1.00 38.48 ? 31 HIS B O 1 +ATOM 2430 C CB . HIS B 2 32 ? 29.205 46.517 42.491 1.00 34.39 ? 31 HIS B CB 1 +ATOM 2431 C CG . HIS B 2 32 ? 28.246 46.778 41.370 1.00 38.46 ? 31 HIS B CG 1 +ATOM 2432 N ND1 . HIS B 2 32 ? 28.541 47.618 40.315 1.00 33.37 ? 31 HIS B ND1 1 +ATOM 2433 C CD2 . HIS B 2 32 ? 27.015 46.273 41.115 1.00 36.07 ? 31 HIS B CD2 1 +ATOM 2434 C CE1 . HIS B 2 32 ? 27.536 47.615 39.459 1.00 36.15 ? 31 HIS B CE1 1 +ATOM 2435 N NE2 . HIS B 2 32 ? 26.596 46.806 39.919 1.00 36.80 ? 31 HIS B NE2 1 +ATOM 2436 N N . PRO B 2 33 ? 31.732 46.646 40.168 1.00 41.68 ? 32 PRO B N 1 +ATOM 2437 C CA . PRO B 2 33 ? 31.100 45.846 39.111 1.00 37.21 ? 32 PRO B CA 1 +ATOM 2438 C C . PRO B 2 33 ? 31.447 44.360 39.145 1.00 37.00 ? 32 PRO B C 1 +ATOM 2439 O O . PRO B 2 33 ? 32.304 43.945 39.922 1.00 34.18 ? 32 PRO B O 1 +ATOM 2440 C CB . PRO B 2 33 ? 31.645 46.489 37.850 1.00 42.97 ? 32 PRO B CB 1 +ATOM 2441 C CG . PRO B 2 33 ? 33.031 46.864 38.272 1.00 39.36 ? 32 PRO B CG 1 +ATOM 2442 C CD . PRO B 2 33 ? 32.767 47.527 39.584 1.00 39.41 ? 32 PRO B CD 1 +ATOM 2443 N N . SER B 2 34 ? 30.826 43.601 38.235 1.00 43.99 ? 33 SER B N 1 +ATOM 2444 C CA . SER B 2 34 ? 30.987 42.136 38.098 1.00 48.99 ? 33 SER B CA 1 +ATOM 2445 C C . SER B 2 34 ? 32.299 41.557 37.550 1.00 49.65 ? 33 SER B C 1 +ATOM 2446 O O . SER B 2 34 ? 32.574 40.372 37.755 1.00 47.72 ? 33 SER B O 1 +ATOM 2447 C CB . SER B 2 34 ? 29.826 41.552 37.287 1.00 46.69 ? 33 SER B CB 1 +ATOM 2448 O OG . SER B 2 34 ? 29.666 42.263 36.071 1.00 50.66 ? 33 SER B OG 1 +ATOM 2449 N N . ASP B 2 35 ? 33.051 42.330 36.771 1.00 52.40 ? 34 ASP B N 1 +ATOM 2450 C CA . ASP B 2 35 ? 34.326 41.829 36.251 1.00 54.84 ? 34 ASP B CA 1 +ATOM 2451 C C . ASP B 2 35 ? 35.254 41.483 37.421 1.00 51.51 ? 34 ASP B C 1 +ATOM 2452 O O . ASP B 2 35 ? 35.700 42.367 38.169 1.00 49.48 ? 34 ASP B O 1 +ATOM 2453 C CB . ASP B 2 35 ? 34.997 42.862 35.342 1.00 60.55 ? 34 ASP B CB 1 +ATOM 2454 C CG . ASP B 2 35 ? 34.537 42.760 33.903 1.00 71.54 ? 34 ASP B CG 1 +ATOM 2455 O OD1 . ASP B 2 35 ? 33.361 43.076 33.613 1.00 76.04 ? 34 ASP B OD1 1 +ATOM 2456 O OD2 . ASP B 2 35 ? 35.365 42.359 33.057 1.00 77.12 ? 34 ASP B OD2 1 +ATOM 2457 N N . ILE B 2 36 ? 35.526 40.193 37.584 1.00 45.68 ? 35 ILE B N 1 +ATOM 2458 C CA . ILE B 2 36 ? 36.383 39.739 38.666 1.00 38.10 ? 35 ILE B CA 1 +ATOM 2459 C C . ILE B 2 36 ? 37.172 38.497 38.254 1.00 35.05 ? 35 ILE B C 1 +ATOM 2460 O O . ILE B 2 36 ? 36.648 37.602 37.588 1.00 28.28 ? 35 ILE B O 1 +ATOM 2461 C CB . ILE B 2 36 ? 35.537 39.474 39.949 1.00 36.61 ? 35 ILE B CB 1 +ATOM 2462 C CG1 . ILE B 2 36 ? 36.445 39.307 41.174 1.00 32.75 ? 35 ILE B CG1 1 +ATOM 2463 C CG2 . ILE B 2 36 ? 34.592 38.290 39.734 1.00 28.97 ? 35 ILE B CG2 1 +ATOM 2464 C CD1 . ILE B 2 36 ? 35.697 39.139 42.478 1.00 28.53 ? 35 ILE B CD1 1 +ATOM 2465 N N . GLU B 2 37 ? 38.457 38.484 38.593 1.00 34.65 ? 36 GLU B N 1 +ATOM 2466 C CA . GLU B 2 37 ? 39.305 37.353 38.269 1.00 38.83 ? 36 GLU B CA 1 +ATOM 2467 C C . GLU B 2 37 ? 39.577 36.590 39.564 1.00 38.17 ? 36 GLU B C 1 +ATOM 2468 O O . GLU B 2 37 ? 39.998 37.183 40.558 1.00 36.50 ? 36 GLU B O 1 +ATOM 2469 C CB . GLU B 2 37 ? 40.614 37.814 37.627 1.00 40.94 ? 36 GLU B CB 1 +ATOM 2470 C CG . GLU B 2 37 ? 41.266 36.718 36.793 1.00 57.22 ? 36 GLU B CG 1 +ATOM 2471 C CD . GLU B 2 37 ? 42.643 37.091 36.251 1.00 65.54 ? 36 GLU B CD 1 +ATOM 2472 O OE1 . GLU B 2 37 ? 43.048 38.267 36.402 1.00 68.11 ? 36 GLU B OE1 1 +ATOM 2473 O OE2 . GLU B 2 37 ? 43.322 36.195 35.682 1.00 64.72 ? 36 GLU B OE2 1 +ATOM 2474 N N . VAL B 2 38 ? 39.309 35.285 39.542 1.00 38.95 ? 37 VAL B N 1 +ATOM 2475 C CA . VAL B 2 38 ? 39.480 34.404 40.699 1.00 39.88 ? 37 VAL B CA 1 +ATOM 2476 C C . VAL B 2 38 ? 40.167 33.065 40.365 1.00 42.13 ? 37 VAL B C 1 +ATOM 2477 O O . VAL B 2 38 ? 39.609 32.226 39.645 1.00 42.55 ? 37 VAL B O 1 +ATOM 2478 C CB . VAL B 2 38 ? 38.108 34.057 41.335 1.00 36.19 ? 37 VAL B CB 1 +ATOM 2479 C CG1 . VAL B 2 38 ? 38.303 33.201 42.570 1.00 38.65 ? 37 VAL B CG1 1 +ATOM 2480 C CG2 . VAL B 2 38 ? 37.338 35.309 41.670 1.00 34.41 ? 37 VAL B CG2 1 +ATOM 2481 N N . ASP B 2 39 ? 41.339 32.840 40.948 1.00 43.05 ? 38 ASP B N 1 +ATOM 2482 C CA . ASP B 2 39 ? 42.085 31.608 40.731 1.00 45.13 ? 38 ASP B CA 1 +ATOM 2483 C C . ASP B 2 39 ? 42.252 30.842 42.046 1.00 43.97 ? 38 ASP B C 1 +ATOM 2484 O O . ASP B 2 39 ? 42.478 31.431 43.101 1.00 41.31 ? 38 ASP B O 1 +ATOM 2485 C CB . ASP B 2 39 ? 43.496 31.902 40.188 1.00 50.55 ? 38 ASP B CB 1 +ATOM 2486 C CG . ASP B 2 39 ? 43.490 32.723 38.915 1.00 54.96 ? 38 ASP B CG 1 +ATOM 2487 O OD1 . ASP B 2 39 ? 42.693 32.413 38.001 1.00 62.46 ? 38 ASP B OD1 1 +ATOM 2488 O OD2 . ASP B 2 39 ? 44.312 33.665 38.823 1.00 53.86 ? 38 ASP B OD2 1 +ATOM 2489 N N . LEU B 2 40 ? 42.113 29.529 41.976 1.00 41.09 ? 39 LEU B N 1 +ATOM 2490 C CA . LEU B 2 40 ? 42.326 28.687 43.135 1.00 42.59 ? 39 LEU B CA 1 +ATOM 2491 C C . LEU B 2 40 ? 43.772 28.212 42.946 1.00 45.15 ? 39 LEU B C 1 +ATOM 2492 O O . LEU B 2 40 ? 44.142 27.793 41.851 1.00 49.95 ? 39 LEU B O 1 +ATOM 2493 C CB . LEU B 2 40 ? 41.358 27.500 43.136 1.00 38.11 ? 39 LEU B CB 1 +ATOM 2494 C CG . LEU B 2 40 ? 39.912 27.730 43.569 1.00 31.62 ? 39 LEU B CG 1 +ATOM 2495 C CD1 . LEU B 2 40 ? 39.236 26.384 43.651 1.00 28.49 ? 39 LEU B CD1 1 +ATOM 2496 C CD2 . LEU B 2 40 ? 39.852 28.420 44.920 1.00 31.65 ? 39 LEU B CD2 1 +ATOM 2497 N N . LEU B 2 41 ? 44.595 28.283 43.986 1.00 46.05 ? 40 LEU B N 1 +ATOM 2498 C CA . LEU B 2 41 ? 45.992 27.885 43.856 1.00 47.87 ? 40 LEU B CA 1 +ATOM 2499 C C . LEU B 2 41 ? 46.401 26.719 44.720 1.00 49.65 ? 40 LEU B C 1 +ATOM 2500 O O . LEU B 2 41 ? 45.896 26.550 45.829 1.00 51.53 ? 40 LEU B O 1 +ATOM 2501 C CB . LEU B 2 41 ? 46.914 29.046 44.216 1.00 48.45 ? 40 LEU B CB 1 +ATOM 2502 C CG . LEU B 2 41 ? 46.676 30.419 43.599 1.00 48.92 ? 40 LEU B CG 1 +ATOM 2503 C CD1 . LEU B 2 41 ? 47.598 31.436 44.272 1.00 45.00 ? 40 LEU B CD1 1 +ATOM 2504 C CD2 . LEU B 2 41 ? 46.895 30.351 42.099 1.00 46.91 ? 40 LEU B CD2 1 +ATOM 2505 N N . LYS B 2 42 ? 47.398 25.985 44.233 1.00 50.18 ? 41 LYS B N 1 +ATOM 2506 C CA . LYS B 2 42 ? 47.978 24.844 44.928 1.00 52.31 ? 41 LYS B CA 1 +ATOM 2507 C C . LYS B 2 42 ? 49.488 25.057 45.004 1.00 55.01 ? 41 LYS B C 1 +ATOM 2508 O O . LYS B 2 42 ? 50.209 24.866 44.020 1.00 56.82 ? 41 LYS B O 1 +ATOM 2509 C CB . LYS B 2 42 ? 47.674 23.531 44.200 1.00 51.86 ? 41 LYS B CB 1 +ATOM 2510 C CG . LYS B 2 42 ? 48.334 22.322 44.841 1.00 48.66 ? 41 LYS B CG 1 +ATOM 2511 C CD . LYS B 2 42 ? 47.879 21.022 44.210 1.00 55.43 ? 41 LYS B CD 1 +ATOM 2512 C CE . LYS B 2 42 ? 48.608 19.845 44.850 1.00 61.73 ? 41 LYS B CE 1 +ATOM 2513 N NZ . LYS B 2 42 ? 48.132 18.498 44.402 1.00 64.49 ? 41 LYS B NZ 1 +ATOM 2514 N N . ASN B 2 43 ? 49.950 25.489 46.174 1.00 57.00 ? 42 ASN B N 1 +ATOM 2515 C CA . ASN B 2 43 ? 51.370 25.740 46.439 1.00 56.97 ? 42 ASN B CA 1 +ATOM 2516 C C . ASN B 2 43 ? 51.905 26.925 45.626 1.00 57.16 ? 42 ASN B C 1 +ATOM 2517 O O . ASN B 2 43 ? 53.112 27.061 45.420 1.00 58.32 ? 42 ASN B O 1 +ATOM 2518 C CB . ASN B 2 43 ? 52.210 24.474 46.172 1.00 55.44 ? 42 ASN B CB 1 +ATOM 2519 C CG . ASN B 2 43 ? 51.832 23.299 47.083 1.00 54.16 ? 42 ASN B CG 1 +ATOM 2520 O OD1 . ASN B 2 43 ? 51.716 23.446 48.303 1.00 50.49 ? 42 ASN B OD1 1 +ATOM 2521 N ND2 . ASN B 2 43 ? 51.653 22.124 46.488 1.00 53.93 ? 42 ASN B ND2 1 +ATOM 2522 N N . GLY B 2 44 ? 51.003 27.814 45.221 1.00 56.72 ? 43 GLY B N 1 +ATOM 2523 C CA . GLY B 2 44 ? 51.388 28.967 44.423 1.00 58.55 ? 43 GLY B CA 1 +ATOM 2524 C C . GLY B 2 44 ? 51.022 28.765 42.955 1.00 59.97 ? 43 GLY B C 1 +ATOM 2525 O O . GLY B 2 44 ? 50.774 29.731 42.223 1.00 53.50 ? 43 GLY B O 1 +ATOM 2526 N N . GLU B 2 45 ? 50.980 27.500 42.533 1.00 60.61 ? 44 GLU B N 1 +ATOM 2527 C CA . GLU B 2 45 ? 50.628 27.163 41.165 1.00 62.67 ? 44 GLU B CA 1 +ATOM 2528 C C . GLU B 2 45 ? 49.123 27.239 40.951 1.00 65.51 ? 44 GLU B C 1 +ATOM 2529 O O . GLU B 2 45 ? 48.340 26.726 41.753 1.00 65.32 ? 44 GLU B O 1 +ATOM 2530 N N . ARG B 2 46 ? 48.719 27.893 39.868 1.00 64.92 ? 45 ARG B N 1 +ATOM 2531 C CA . ARG B 2 46 ? 47.312 28.053 39.536 1.00 59.79 ? 45 ARG B CA 1 +ATOM 2532 C C . ARG B 2 46 ? 46.732 26.690 39.192 1.00 55.14 ? 45 ARG B C 1 +ATOM 2533 O O . ARG B 2 46 ? 47.370 25.907 38.490 1.00 49.79 ? 45 ARG B O 1 +ATOM 2534 C CB . ARG B 2 46 ? 47.164 29.003 38.341 1.00 64.95 ? 45 ARG B CB 1 +ATOM 2535 C CG . ARG B 2 46 ? 45.862 29.795 38.312 1.00 70.42 ? 45 ARG B CG 1 +ATOM 2536 C CD . ARG B 2 46 ? 45.622 30.473 36.966 1.00 71.88 ? 45 ARG B CD 1 +ATOM 2537 N NE . ARG B 2 46 ? 45.250 29.514 35.922 1.00 75.30 ? 45 ARG B NE 1 +ATOM 2538 C CZ . ARG B 2 46 ? 44.000 29.123 35.652 1.00 75.60 ? 45 ARG B CZ 1 +ATOM 2539 N NH1 . ARG B 2 46 ? 42.970 29.603 36.349 1.00 67.97 ? 45 ARG B NH1 1 +ATOM 2540 N NH2 . ARG B 2 46 ? 43.779 28.270 34.651 1.00 73.30 ? 45 ARG B NH2 1 +ATOM 2541 N N . ILE B 2 47 ? 45.561 26.383 39.744 1.00 52.97 ? 46 ILE B N 1 +ATOM 2542 C CA . ILE B 2 47 ? 44.901 25.112 39.472 1.00 52.93 ? 46 ILE B CA 1 +ATOM 2543 C C . ILE B 2 47 ? 44.209 25.251 38.130 1.00 55.67 ? 46 ILE B C 1 +ATOM 2544 O O . ILE B 2 47 ? 43.453 26.194 37.919 1.00 57.73 ? 46 ILE B O 1 +ATOM 2545 C CB . ILE B 2 47 ? 43.849 24.751 40.536 1.00 48.04 ? 46 ILE B CB 1 +ATOM 2546 C CG1 . ILE B 2 47 ? 44.480 24.755 41.930 1.00 48.55 ? 46 ILE B CG1 1 +ATOM 2547 C CG2 . ILE B 2 47 ? 43.274 23.372 40.242 1.00 42.09 ? 46 ILE B CG2 1 +ATOM 2548 C CD1 . ILE B 2 47 ? 43.480 24.519 43.051 1.00 54.07 ? 46 ILE B CD1 1 +ATOM 2549 N N . GLU B 2 48 ? 44.446 24.282 37.251 1.00 59.58 ? 47 GLU B N 1 +ATOM 2550 C CA . GLU B 2 48 ? 43.887 24.300 35.912 1.00 59.23 ? 47 GLU B CA 1 +ATOM 2551 C C . GLU B 2 48 ? 42.385 24.343 35.729 1.00 62.62 ? 47 GLU B C 1 +ATOM 2552 O O . GLU B 2 48 ? 41.819 25.386 35.393 1.00 66.24 ? 47 GLU B O 1 +ATOM 2553 N N . LYS B 2 49 ? 41.730 23.211 35.947 1.00 63.00 ? 48 LYS B N 1 +ATOM 2554 C CA . LYS B 2 49 ? 40.287 23.120 35.741 1.00 65.25 ? 48 LYS B CA 1 +ATOM 2555 C C . LYS B 2 49 ? 39.361 23.580 36.876 1.00 60.84 ? 48 LYS B C 1 +ATOM 2556 O O . LYS B 2 49 ? 38.708 22.763 37.535 1.00 56.64 ? 48 LYS B O 1 +ATOM 2557 C CB . LYS B 2 49 ? 39.934 21.702 35.300 1.00 74.45 ? 48 LYS B CB 1 +ATOM 2558 C CG . LYS B 2 49 ? 40.665 21.259 34.039 1.00 83.07 ? 48 LYS B CG 1 +ATOM 2559 C CD . LYS B 2 49 ? 40.183 19.882 33.598 1.00 94.92 ? 48 LYS B CD 1 +ATOM 2560 C CE . LYS B 2 49 ? 40.868 19.416 32.308 1.00 100.00 ? 48 LYS B CE 1 +ATOM 2561 N NZ . LYS B 2 49 ? 40.310 18.126 31.766 1.00 99.97 ? 48 LYS B NZ 1 +ATOM 2562 N N . VAL B 2 50 ? 39.227 24.894 37.022 1.00 55.18 ? 49 VAL B N 1 +ATOM 2563 C CA . VAL B 2 50 ? 38.385 25.468 38.065 1.00 53.29 ? 49 VAL B CA 1 +ATOM 2564 C C . VAL B 2 50 ? 37.027 25.891 37.520 1.00 51.91 ? 49 VAL B C 1 +ATOM 2565 O O . VAL B 2 50 ? 36.946 26.698 36.593 1.00 54.76 ? 49 VAL B O 1 +ATOM 2566 C CB . VAL B 2 50 ? 39.054 26.694 38.703 1.00 53.90 ? 49 VAL B CB 1 +ATOM 2567 C CG1 . VAL B 2 50 ? 38.234 27.175 39.888 1.00 56.31 ? 49 VAL B CG1 1 +ATOM 2568 C CG2 . VAL B 2 50 ? 40.476 26.361 39.124 1.00 55.02 ? 49 VAL B CG2 1 +ATOM 2569 N N . GLU B 2 51 ? 35.957 25.376 38.110 1.00 48.23 ? 50 GLU B N 1 +ATOM 2570 C CA . GLU B 2 51 ? 34.628 25.731 37.646 1.00 46.14 ? 50 GLU B CA 1 +ATOM 2571 C C . GLU B 2 51 ? 34.086 26.888 38.462 1.00 40.98 ? 50 GLU B C 1 +ATOM 2572 O O . GLU B 2 51 ? 34.786 27.403 39.329 1.00 38.87 ? 50 GLU B O 1 +ATOM 2573 C CB . GLU B 2 51 ? 33.705 24.513 37.668 1.00 51.88 ? 50 GLU B CB 1 +ATOM 2574 C CG . GLU B 2 51 ? 34.288 23.330 36.871 1.00 63.64 ? 50 GLU B CG 1 +ATOM 2575 C CD . GLU B 2 51 ? 33.262 22.291 36.423 1.00 68.69 ? 50 GLU B CD 1 +ATOM 2576 O OE1 . GLU B 2 51 ? 32.219 22.120 37.096 1.00 71.08 ? 50 GLU B OE1 1 +ATOM 2577 O OE2 . GLU B 2 51 ? 33.513 21.634 35.384 1.00 73.53 ? 50 GLU B OE2 1 +ATOM 2578 N N . HIS B 2 52 ? 32.894 27.368 38.117 1.00 36.64 ? 51 HIS B N 1 +ATOM 2579 C CA . HIS B 2 52 ? 32.291 28.479 38.843 1.00 36.51 ? 51 HIS B CA 1 +ATOM 2580 C C . HIS B 2 52 ? 30.794 28.590 38.627 1.00 32.23 ? 51 HIS B C 1 +ATOM 2581 O O . HIS B 2 52 ? 30.256 28.018 37.687 1.00 35.09 ? 51 HIS B O 1 +ATOM 2582 C CB . HIS B 2 52 ? 32.991 29.808 38.530 1.00 41.46 ? 51 HIS B CB 1 +ATOM 2583 C CG . HIS B 2 52 ? 32.830 30.280 37.114 1.00 54.37 ? 51 HIS B CG 1 +ATOM 2584 N ND1 . HIS B 2 52 ? 31.722 30.979 36.683 1.00 59.18 ? 51 HIS B ND1 1 +ATOM 2585 C CD2 . HIS B 2 52 ? 33.672 30.225 36.055 1.00 54.77 ? 51 HIS B CD2 1 +ATOM 2586 C CE1 . HIS B 2 52 ? 31.890 31.342 35.425 1.00 56.49 ? 51 HIS B CE1 1 +ATOM 2587 N NE2 . HIS B 2 52 ? 33.066 30.897 35.021 1.00 57.34 ? 51 HIS B NE2 1 +ATOM 2588 N N . SER B 2 53 ? 30.125 29.303 39.525 1.00 32.02 ? 52 SER B N 1 +ATOM 2589 C CA . SER B 2 53 ? 28.680 29.478 39.461 1.00 32.93 ? 52 SER B CA 1 +ATOM 2590 C C . SER B 2 53 ? 28.286 30.524 38.426 1.00 35.74 ? 52 SER B C 1 +ATOM 2591 O O . SER B 2 53 ? 29.150 31.206 37.869 1.00 41.08 ? 52 SER B O 1 +ATOM 2592 C CB . SER B 2 53 ? 28.117 29.852 40.843 1.00 31.52 ? 52 SER B CB 1 +ATOM 2593 O OG . SER B 2 53 ? 28.695 31.044 41.357 1.00 37.27 ? 52 SER B OG 1 +ATOM 2594 N N . ASP B 2 54 ? 26.987 30.637 38.154 1.00 33.39 ? 53 ASP B N 1 +ATOM 2595 C CA . ASP B 2 54 ? 26.491 31.602 37.183 1.00 27.27 ? 53 ASP B CA 1 +ATOM 2596 C C . ASP B 2 54 ? 26.237 32.897 37.923 1.00 22.47 ? 53 ASP B C 1 +ATOM 2597 O O . ASP B 2 54 ? 25.535 32.905 38.932 1.00 25.36 ? 53 ASP B O 1 +ATOM 2598 C CB . ASP B 2 54 ? 25.207 31.088 36.519 1.00 31.43 ? 53 ASP B CB 1 +ATOM 2599 C CG . ASP B 2 54 ? 25.423 29.793 35.730 1.00 33.02 ? 53 ASP B CG 1 +ATOM 2600 O OD1 . ASP B 2 54 ? 26.557 29.544 35.244 1.00 34.92 ? 53 ASP B OD1 1 +ATOM 2601 O OD2 . ASP B 2 54 ? 24.450 29.024 35.601 1.00 30.41 ? 53 ASP B OD2 1 +ATOM 2602 N N . LEU B 2 55 ? 26.840 33.974 37.435 1.00 20.33 ? 54 LEU B N 1 +ATOM 2603 C CA . LEU B 2 55 ? 26.712 35.282 38.057 1.00 18.60 ? 54 LEU B CA 1 +ATOM 2604 C C . LEU B 2 55 ? 25.303 35.636 38.461 1.00 22.25 ? 54 LEU B C 1 +ATOM 2605 O O . LEU B 2 55 ? 24.363 35.454 37.692 1.00 27.18 ? 54 LEU B O 1 +ATOM 2606 C CB . LEU B 2 55 ? 27.240 36.381 37.142 1.00 19.89 ? 54 LEU B CB 1 +ATOM 2607 C CG . LEU B 2 55 ? 27.194 37.774 37.774 1.00 23.08 ? 54 LEU B CG 1 +ATOM 2608 C CD1 . LEU B 2 55 ? 28.361 37.944 38.750 1.00 23.42 ? 54 LEU B CD1 1 +ATOM 2609 C CD2 . LEU B 2 55 ? 27.267 38.828 36.687 1.00 24.24 ? 54 LEU B CD2 1 +ATOM 2610 N N . SER B 2 56 ? 25.163 36.094 39.701 1.00 24.46 ? 55 SER B N 1 +ATOM 2611 C CA . SER B 2 56 ? 23.884 36.521 40.231 1.00 18.92 ? 55 SER B CA 1 +ATOM 2612 C C . SER B 2 56 ? 24.140 37.637 41.220 1.00 20.78 ? 55 SER B C 1 +ATOM 2613 O O . SER B 2 56 ? 25.276 38.084 41.375 1.00 19.71 ? 55 SER B O 1 +ATOM 2614 C CB . SER B 2 56 ? 23.138 35.384 40.898 1.00 18.69 ? 55 SER B CB 1 +ATOM 2615 O OG . SER B 2 56 ? 21.800 35.785 41.156 1.00 23.66 ? 55 SER B OG 1 +ATOM 2616 N N . PHE B 2 57 ? 23.094 38.089 41.898 1.00 20.50 ? 56 PHE B N 1 +ATOM 2617 C CA . PHE B 2 57 ? 23.256 39.184 42.831 1.00 21.17 ? 56 PHE B CA 1 +ATOM 2618 C C . PHE B 2 57 ? 22.257 39.172 43.971 1.00 31.19 ? 56 PHE B C 1 +ATOM 2619 O O . PHE B 2 57 ? 21.208 38.520 43.889 1.00 31.08 ? 56 PHE B O 1 +ATOM 2620 C CB . PHE B 2 57 ? 23.196 40.520 42.085 1.00 21.87 ? 56 PHE B CB 1 +ATOM 2621 C CG . PHE B 2 57 ? 22.018 40.651 41.159 1.00 19.90 ? 56 PHE B CG 1 +ATOM 2622 C CD1 . PHE B 2 57 ? 20.810 41.142 41.620 1.00 18.08 ? 56 PHE B CD1 1 +ATOM 2623 C CD2 . PHE B 2 57 ? 22.127 40.297 39.814 1.00 21.32 ? 56 PHE B CD2 1 +ATOM 2624 C CE1 . PHE B 2 57 ? 19.731 41.276 40.758 1.00 25.83 ? 56 PHE B CE1 1 +ATOM 2625 C CE2 . PHE B 2 57 ? 21.062 40.428 38.952 1.00 9.89 ? 56 PHE B CE2 1 +ATOM 2626 C CZ . PHE B 2 57 ? 19.862 40.920 39.419 1.00 21.06 ? 56 PHE B CZ 1 +ATOM 2627 N N . SER B 2 58 ? 22.616 39.886 45.039 1.00 34.56 ? 57 SER B N 1 +ATOM 2628 C CA . SER B 2 58 ? 21.806 40.001 46.250 1.00 38.61 ? 57 SER B CA 1 +ATOM 2629 C C . SER B 2 58 ? 20.880 41.228 46.210 1.00 38.73 ? 57 SER B C 1 +ATOM 2630 O O . SER B 2 58 ? 21.013 42.092 45.342 1.00 41.04 ? 57 SER B O 1 +ATOM 2631 C CB . SER B 2 58 ? 22.733 40.108 47.463 1.00 41.06 ? 57 SER B CB 1 +ATOM 2632 O OG . SER B 2 58 ? 23.882 39.283 47.310 1.00 46.25 ? 57 SER B OG 1 +ATOM 2633 N N . LYS B 2 59 ? 20.005 41.335 47.208 1.00 35.94 ? 58 LYS B N 1 +ATOM 2634 C CA . LYS B 2 59 ? 19.053 42.438 47.300 1.00 30.93 ? 58 LYS B CA 1 +ATOM 2635 C C . LYS B 2 59 ? 19.599 43.843 47.114 1.00 27.43 ? 58 LYS B C 1 +ATOM 2636 O O . LYS B 2 59 ? 18.871 44.732 46.695 1.00 29.35 ? 58 LYS B O 1 +ATOM 2637 N N . ASP B 2 60 ? 20.872 44.051 47.425 1.00 24.27 ? 59 ASP B N 1 +ATOM 2638 C CA . ASP B 2 60 ? 21.488 45.366 47.275 1.00 26.55 ? 59 ASP B CA 1 +ATOM 2639 C C . ASP B 2 60 ? 22.250 45.530 45.943 1.00 29.77 ? 59 ASP B C 1 +ATOM 2640 O O . ASP B 2 60 ? 23.073 46.443 45.784 1.00 26.70 ? 59 ASP B O 1 +ATOM 2641 C CB . ASP B 2 60 ? 22.403 45.658 48.468 1.00 22.61 ? 59 ASP B CB 1 +ATOM 2642 C CG . ASP B 2 60 ? 23.498 44.627 48.638 1.00 28.75 ? 59 ASP B CG 1 +ATOM 2643 O OD1 . ASP B 2 60 ? 23.345 43.500 48.121 1.00 30.09 ? 59 ASP B OD1 1 +ATOM 2644 O OD2 . ASP B 2 60 ? 24.518 44.946 49.294 1.00 34.85 ? 59 ASP B OD2 1 +ATOM 2645 N N . TRP B 2 61 ? 21.984 44.610 45.015 1.00 27.50 ? 60 TRP B N 1 +ATOM 2646 C CA . TRP B 2 61 ? 22.573 44.578 43.666 1.00 25.88 ? 60 TRP B CA 1 +ATOM 2647 C C . TRP B 2 61 ? 24.023 44.143 43.575 1.00 22.79 ? 60 TRP B C 1 +ATOM 2648 O O . TRP B 2 61 ? 24.595 44.154 42.488 1.00 23.65 ? 60 TRP B O 1 +ATOM 2649 C CB . TRP B 2 61 ? 22.383 45.904 42.894 1.00 21.04 ? 60 TRP B CB 1 +ATOM 2650 C CG . TRP B 2 61 ? 20.967 46.436 42.852 1.00 19.54 ? 60 TRP B CG 1 +ATOM 2651 C CD1 . TRP B 2 61 ? 20.498 47.534 43.510 1.00 24.22 ? 60 TRP B CD1 1 +ATOM 2652 C CD2 . TRP B 2 61 ? 19.842 45.887 42.138 1.00 15.90 ? 60 TRP B CD2 1 +ATOM 2653 N NE1 . TRP B 2 61 ? 19.159 47.699 43.263 1.00 23.55 ? 60 TRP B NE1 1 +ATOM 2654 C CE2 . TRP B 2 61 ? 18.731 46.706 42.420 1.00 21.14 ? 60 TRP B CE2 1 +ATOM 2655 C CE3 . TRP B 2 61 ? 19.667 44.784 41.299 1.00 20.84 ? 60 TRP B CE3 1 +ATOM 2656 C CZ2 . TRP B 2 61 ? 17.456 46.455 41.889 1.00 24.60 ? 60 TRP B CZ2 1 +ATOM 2657 C CZ3 . TRP B 2 61 ? 18.401 44.532 40.776 1.00 11.81 ? 60 TRP B CZ3 1 +ATOM 2658 C CH2 . TRP B 2 61 ? 17.316 45.365 41.075 1.00 22.74 ? 60 TRP B CH2 1 +ATOM 2659 N N . SER B 2 62 ? 24.627 43.751 44.689 1.00 25.32 ? 61 SER B N 1 +ATOM 2660 C CA . SER B 2 62 ? 26.020 43.308 44.637 1.00 24.11 ? 61 SER B CA 1 +ATOM 2661 C C . SER B 2 62 ? 26.041 41.897 44.081 1.00 16.46 ? 61 SER B C 1 +ATOM 2662 O O . SER B 2 62 ? 25.047 41.195 44.173 1.00 13.23 ? 61 SER B O 1 +ATOM 2663 C CB . SER B 2 62 ? 26.689 43.384 46.010 1.00 30.27 ? 61 SER B CB 1 +ATOM 2664 O OG . SER B 2 62 ? 25.731 43.490 47.049 1.00 31.79 ? 61 SER B OG 1 +ATOM 2665 N N . PHE B 2 63 ? 27.181 41.497 43.529 1.00 17.43 ? 62 PHE B N 1 +ATOM 2666 C CA . PHE B 2 63 ? 27.352 40.198 42.890 1.00 19.28 ? 62 PHE B CA 1 +ATOM 2667 C C . PHE B 2 63 ? 28.001 39.159 43.758 1.00 18.18 ? 62 PHE B C 1 +ATOM 2668 O O . PHE B 2 63 ? 28.716 39.492 44.687 1.00 21.26 ? 62 PHE B O 1 +ATOM 2669 C CB . PHE B 2 63 ? 28.223 40.361 41.621 1.00 21.33 ? 62 PHE B CB 1 +ATOM 2670 C CG . PHE B 2 63 ? 27.629 41.281 40.602 1.00 22.70 ? 62 PHE B CG 1 +ATOM 2671 C CD1 . PHE B 2 63 ? 26.489 40.900 39.887 1.00 23.03 ? 62 PHE B CD1 1 +ATOM 2672 C CD2 . PHE B 2 63 ? 28.136 42.571 40.431 1.00 24.28 ? 62 PHE B CD2 1 +ATOM 2673 C CE1 . PHE B 2 63 ? 25.855 41.799 39.025 1.00 20.54 ? 62 PHE B CE1 1 +ATOM 2674 C CE2 . PHE B 2 63 ? 27.510 43.486 39.570 1.00 21.87 ? 62 PHE B CE2 1 +ATOM 2675 C CZ . PHE B 2 63 ? 26.364 43.098 38.869 1.00 24.46 ? 62 PHE B CZ 1 +ATOM 2676 N N . TYR B 2 64 ? 27.779 37.893 43.426 1.00 18.59 ? 63 TYR B N 1 +ATOM 2677 C CA . TYR B 2 64 ? 28.417 36.798 44.145 1.00 21.52 ? 63 TYR B CA 1 +ATOM 2678 C C . TYR B 2 64 ? 28.660 35.609 43.205 1.00 17.17 ? 63 TYR B C 1 +ATOM 2679 O O . TYR B 2 64 ? 27.805 35.269 42.395 1.00 14.46 ? 63 TYR B O 1 +ATOM 2680 C CB . TYR B 2 64 ? 27.633 36.414 45.421 1.00 21.39 ? 63 TYR B CB 1 +ATOM 2681 C CG . TYR B 2 64 ? 26.257 35.870 45.189 1.00 15.36 ? 63 TYR B CG 1 +ATOM 2682 C CD1 . TYR B 2 64 ? 26.071 34.550 44.773 1.00 17.28 ? 63 TYR B CD1 1 +ATOM 2683 C CD2 . TYR B 2 64 ? 25.141 36.662 45.374 1.00 10.27 ? 63 TYR B CD2 1 +ATOM 2684 C CE1 . TYR B 2 64 ? 24.796 34.027 44.543 1.00 8.24 ? 63 TYR B CE1 1 +ATOM 2685 C CE2 . TYR B 2 64 ? 23.855 36.146 45.148 1.00 17.39 ? 63 TYR B CE2 1 +ATOM 2686 C CZ . TYR B 2 64 ? 23.698 34.823 44.728 1.00 14.05 ? 63 TYR B CZ 1 +ATOM 2687 O OH . TYR B 2 64 ? 22.437 34.306 44.490 1.00 21.99 ? 63 TYR B OH 1 +ATOM 2688 N N . LEU B 2 65 ? 29.842 35.006 43.320 1.00 20.20 ? 64 LEU B N 1 +ATOM 2689 C CA . LEU B 2 65 ? 30.273 33.877 42.493 1.00 22.96 ? 64 LEU B CA 1 +ATOM 2690 C C . LEU B 2 65 ? 30.943 32.792 43.328 1.00 19.31 ? 64 LEU B C 1 +ATOM 2691 O O . LEU B 2 65 ? 31.627 33.100 44.303 1.00 19.72 ? 64 LEU B O 1 +ATOM 2692 C CB . LEU B 2 65 ? 31.317 34.359 41.463 1.00 23.47 ? 64 LEU B CB 1 +ATOM 2693 C CG . LEU B 2 65 ? 30.852 35.205 40.280 1.00 21.46 ? 64 LEU B CG 1 +ATOM 2694 C CD1 . LEU B 2 65 ? 32.033 35.750 39.518 1.00 15.92 ? 64 LEU B CD1 1 +ATOM 2695 C CD2 . LEU B 2 65 ? 29.984 34.348 39.398 1.00 19.28 ? 64 LEU B CD2 1 +ATOM 2696 N N . LEU B 2 66 ? 30.816 31.540 42.899 1.00 15.50 ? 65 LEU B N 1 +ATOM 2697 C CA . LEU B 2 66 ? 31.449 30.439 43.600 1.00 17.49 ? 65 LEU B CA 1 +ATOM 2698 C C . LEU B 2 66 ? 32.303 29.614 42.659 1.00 20.89 ? 65 LEU B C 1 +ATOM 2699 O O . LEU B 2 66 ? 31.797 29.015 41.724 1.00 23.06 ? 65 LEU B O 1 +ATOM 2700 C CB . LEU B 2 66 ? 30.426 29.530 44.275 1.00 13.69 ? 65 LEU B CB 1 +ATOM 2701 C CG . LEU B 2 66 ? 31.005 28.271 44.925 1.00 13.60 ? 65 LEU B CG 1 +ATOM 2702 C CD1 . LEU B 2 66 ? 31.947 28.617 46.042 1.00 17.54 ? 65 LEU B CD1 1 +ATOM 2703 C CD2 . LEU B 2 66 ? 29.875 27.432 45.438 1.00 18.52 ? 65 LEU B CD2 1 +ATOM 2704 N N . TYR B 2 67 ? 33.603 29.608 42.916 1.00 26.59 ? 66 TYR B N 1 +ATOM 2705 C CA . TYR B 2 67 ? 34.573 28.849 42.150 1.00 27.89 ? 66 TYR B CA 1 +ATOM 2706 C C . TYR B 2 67 ? 34.902 27.575 42.922 1.00 30.62 ? 66 TYR B C 1 +ATOM 2707 O O . TYR B 2 67 ? 35.272 27.616 44.096 1.00 32.53 ? 66 TYR B O 1 +ATOM 2708 C CB . TYR B 2 67 ? 35.844 29.666 41.960 1.00 29.58 ? 66 TYR B CB 1 +ATOM 2709 C CG . TYR B 2 67 ? 35.702 30.762 40.954 1.00 32.22 ? 66 TYR B CG 1 +ATOM 2710 C CD1 . TYR B 2 67 ? 35.093 31.968 41.286 1.00 34.17 ? 66 TYR B CD1 1 +ATOM 2711 C CD2 . TYR B 2 67 ? 36.157 30.586 39.658 1.00 33.02 ? 66 TYR B CD2 1 +ATOM 2712 C CE1 . TYR B 2 67 ? 34.939 32.974 40.340 1.00 41.68 ? 66 TYR B CE1 1 +ATOM 2713 C CE2 . TYR B 2 67 ? 36.015 31.575 38.709 1.00 40.43 ? 66 TYR B CE2 1 +ATOM 2714 C CZ . TYR B 2 67 ? 35.404 32.766 39.046 1.00 40.96 ? 66 TYR B CZ 1 +ATOM 2715 O OH . TYR B 2 67 ? 35.254 33.728 38.073 1.00 41.76 ? 66 TYR B OH 1 +ATOM 2716 N N . TYR B 2 68 ? 34.791 26.444 42.252 1.00 34.46 ? 67 TYR B N 1 +ATOM 2717 C CA . TYR B 2 68 ? 35.070 25.183 42.898 1.00 35.83 ? 67 TYR B CA 1 +ATOM 2718 C C . TYR B 2 68 ? 35.886 24.227 42.041 1.00 35.87 ? 67 TYR B C 1 +ATOM 2719 O O . TYR B 2 68 ? 35.939 24.358 40.817 1.00 34.04 ? 67 TYR B O 1 +ATOM 2720 C CB . TYR B 2 68 ? 33.768 24.534 43.333 1.00 37.34 ? 67 TYR B CB 1 +ATOM 2721 C CG . TYR B 2 68 ? 32.768 24.315 42.228 1.00 35.67 ? 67 TYR B CG 1 +ATOM 2722 C CD1 . TYR B 2 68 ? 31.989 25.365 41.751 1.00 34.17 ? 67 TYR B CD1 1 +ATOM 2723 C CD2 . TYR B 2 68 ? 32.544 23.041 41.717 1.00 38.41 ? 67 TYR B CD2 1 +ATOM 2724 C CE1 . TYR B 2 68 ? 31.009 25.151 40.803 1.00 38.03 ? 67 TYR B CE1 1 +ATOM 2725 C CE2 . TYR B 2 68 ? 31.564 22.813 40.769 1.00 40.41 ? 67 TYR B CE2 1 +ATOM 2726 C CZ . TYR B 2 68 ? 30.798 23.870 40.320 1.00 39.60 ? 67 TYR B CZ 1 +ATOM 2727 O OH . TYR B 2 68 ? 29.802 23.636 39.403 1.00 52.95 ? 67 TYR B OH 1 +ATOM 2728 N N . THR B 2 69 ? 36.541 23.287 42.713 1.00 38.21 ? 68 THR B N 1 +ATOM 2729 C CA . THR B 2 69 ? 37.374 22.279 42.078 1.00 38.65 ? 68 THR B CA 1 +ATOM 2730 C C . THR B 2 69 ? 37.536 21.126 43.053 1.00 41.92 ? 68 THR B C 1 +ATOM 2731 O O . THR B 2 69 ? 37.557 21.344 44.266 1.00 33.98 ? 68 THR B O 1 +ATOM 2732 C CB . THR B 2 69 ? 38.771 22.830 41.743 1.00 36.43 ? 68 THR B CB 1 +ATOM 2733 O OG1 . THR B 2 69 ? 39.505 21.832 41.032 1.00 45.39 ? 68 THR B OG1 1 +ATOM 2734 C CG2 . THR B 2 69 ? 39.537 23.190 42.997 1.00 35.14 ? 68 THR B CG2 1 +ATOM 2735 N N . GLU B 2 70 ? 37.577 19.902 42.528 1.00 51.80 ? 69 GLU B N 1 +ATOM 2736 C CA . GLU B 2 70 ? 37.764 18.711 43.365 1.00 60.82 ? 69 GLU B CA 1 +ATOM 2737 C C . GLU B 2 70 ? 39.185 18.761 43.927 1.00 61.60 ? 69 GLU B C 1 +ATOM 2738 O O . GLU B 2 70 ? 40.064 19.397 43.335 1.00 63.53 ? 69 GLU B O 1 +ATOM 2739 C CB . GLU B 2 70 ? 37.610 17.414 42.551 1.00 67.02 ? 69 GLU B CB 1 +ATOM 2740 C CG . GLU B 2 70 ? 36.322 17.302 41.744 1.00 77.41 ? 69 GLU B CG 1 +ATOM 2741 C CD . GLU B 2 70 ? 35.992 15.870 41.316 1.00 83.86 ? 69 GLU B CD 1 +ATOM 2742 O OE1 . GLU B 2 70 ? 36.890 15.172 40.788 1.00 88.49 ? 69 GLU B OE1 1 +ATOM 2743 O OE2 . GLU B 2 70 ? 34.825 15.447 41.502 1.00 83.49 ? 69 GLU B OE2 1 +ATOM 2744 N N . PHE B 2 71 ? 39.400 18.121 45.075 1.00 61.20 ? 70 PHE B N 1 +ATOM 2745 C CA . PHE B 2 71 ? 40.721 18.073 45.697 1.00 57.62 ? 70 PHE B CA 1 +ATOM 2746 C C . PHE B 2 71 ? 40.794 17.191 46.930 1.00 59.42 ? 70 PHE B C 1 +ATOM 2747 O O . PHE B 2 71 ? 39.831 17.052 47.694 1.00 57.93 ? 70 PHE B O 1 +ATOM 2748 C CB . PHE B 2 71 ? 41.286 19.480 45.992 1.00 50.93 ? 70 PHE B CB 1 +ATOM 2749 C CG . PHE B 2 71 ? 41.017 20.002 47.392 1.00 43.98 ? 70 PHE B CG 1 +ATOM 2750 C CD1 . PHE B 2 71 ? 39.723 20.107 47.895 1.00 41.02 ? 70 PHE B CD1 1 +ATOM 2751 C CD2 . PHE B 2 71 ? 42.066 20.475 48.175 1.00 38.95 ? 70 PHE B CD2 1 +ATOM 2752 C CE1 . PHE B 2 71 ? 39.487 20.685 49.156 1.00 37.86 ? 70 PHE B CE1 1 +ATOM 2753 C CE2 . PHE B 2 71 ? 41.832 21.053 49.435 1.00 33.39 ? 70 PHE B CE2 1 +ATOM 2754 C CZ . PHE B 2 71 ? 40.544 21.159 49.919 1.00 28.81 ? 70 PHE B CZ 1 +ATOM 2755 N N . THR B 2 72 ? 41.949 16.560 47.078 1.00 60.86 ? 71 THR B N 1 +ATOM 2756 C CA . THR B 2 72 ? 42.222 15.692 48.202 1.00 56.93 ? 71 THR B CA 1 +ATOM 2757 C C . THR B 2 72 ? 43.177 16.497 49.066 1.00 54.13 ? 71 THR B C 1 +ATOM 2758 O O . THR B 2 72 ? 44.331 16.742 48.674 1.00 47.46 ? 71 THR B O 1 +ATOM 2759 C CB . THR B 2 72 ? 42.871 14.365 47.739 1.00 56.15 ? 71 THR B CB 1 +ATOM 2760 O OG1 . THR B 2 72 ? 41.894 13.571 47.054 1.00 50.29 ? 71 THR B OG1 1 +ATOM 2761 C CG2 . THR B 2 72 ? 43.402 13.588 48.915 1.00 60.23 ? 71 THR B CG2 1 +ATOM 2762 N N . PRO B 2 73 ? 42.670 17.000 50.209 1.00 52.80 ? 72 PRO B N 1 +ATOM 2763 C CA . PRO B 2 73 ? 43.438 17.801 51.167 1.00 50.98 ? 72 PRO B CA 1 +ATOM 2764 C C . PRO B 2 73 ? 44.589 16.948 51.666 1.00 55.43 ? 72 PRO B C 1 +ATOM 2765 O O . PRO B 2 73 ? 44.465 15.726 51.792 1.00 57.17 ? 72 PRO B O 1 +ATOM 2766 C CB . PRO B 2 73 ? 42.429 18.063 52.286 1.00 52.34 ? 72 PRO B CB 1 +ATOM 2767 C CG . PRO B 2 73 ? 41.083 17.883 51.634 1.00 52.77 ? 72 PRO B CG 1 +ATOM 2768 C CD . PRO B 2 73 ? 41.316 16.722 50.720 1.00 51.46 ? 72 PRO B CD 1 +ATOM 2769 N N . THR B 2 74 ? 45.697 17.584 51.995 1.00 58.77 ? 73 THR B N 1 +ATOM 2770 C CA . THR B 2 74 ? 46.858 16.843 52.452 1.00 65.02 ? 73 THR B CA 1 +ATOM 2771 C C . THR B 2 74 ? 47.544 17.642 53.557 1.00 67.84 ? 73 THR B C 1 +ATOM 2772 O O . THR B 2 74 ? 47.399 18.864 53.611 1.00 74.68 ? 73 THR B O 1 +ATOM 2773 C CB . THR B 2 74 ? 47.804 16.573 51.245 1.00 65.52 ? 73 THR B CB 1 +ATOM 2774 O OG1 . THR B 2 74 ? 47.340 15.431 50.513 1.00 71.05 ? 73 THR B OG1 1 +ATOM 2775 C CG2 . THR B 2 74 ? 49.205 16.332 51.684 1.00 66.16 ? 73 THR B CG2 1 +ATOM 2776 N N . GLU B 2 75 ? 48.225 16.961 54.477 1.00 65.57 ? 74 GLU B N 1 +ATOM 2777 C CA . GLU B 2 75 ? 48.907 17.676 55.544 1.00 63.98 ? 74 GLU B CA 1 +ATOM 2778 C C . GLU B 2 75 ? 49.978 18.597 54.982 1.00 65.71 ? 74 GLU B C 1 +ATOM 2779 O O . GLU B 2 75 ? 50.238 19.680 55.508 1.00 61.84 ? 74 GLU B O 1 +ATOM 2780 N N . LYS B 2 76 ? 50.562 18.175 53.867 1.00 69.01 ? 75 LYS B N 1 +ATOM 2781 C CA . LYS B 2 76 ? 51.625 18.929 53.217 1.00 72.79 ? 75 LYS B CA 1 +ATOM 2782 C C . LYS B 2 76 ? 51.280 19.922 52.093 1.00 73.03 ? 75 LYS B C 1 +ATOM 2783 O O . LYS B 2 76 ? 52.082 20.809 51.809 1.00 76.68 ? 75 LYS B O 1 +ATOM 2784 C CB . LYS B 2 76 ? 52.737 17.971 52.764 1.00 75.63 ? 75 LYS B CB 1 +ATOM 2785 C CG . LYS B 2 76 ? 52.246 16.734 52.040 1.00 80.19 ? 75 LYS B CG 1 +ATOM 2786 C CD . LYS B 2 76 ? 52.819 15.458 52.642 1.00 89.39 ? 75 LYS B CD 1 +ATOM 2787 C CE . LYS B 2 76 ? 52.012 14.218 52.244 1.00 93.87 ? 75 LYS B CE 1 +ATOM 2788 N NZ . LYS B 2 76 ? 51.893 14.007 50.777 1.00 91.81 ? 75 LYS B NZ 1 +ATOM 2789 N N . ASP B 2 77 ? 50.104 19.814 51.473 1.00 69.79 ? 76 ASP B N 1 +ATOM 2790 C CA . ASP B 2 77 ? 49.744 20.738 50.385 1.00 65.32 ? 76 ASP B CA 1 +ATOM 2791 C C . ASP B 2 77 ? 49.016 22.017 50.814 1.00 63.20 ? 76 ASP B C 1 +ATOM 2792 O O . ASP B 2 77 ? 48.010 21.968 51.525 1.00 61.62 ? 76 ASP B O 1 +ATOM 2793 C CB . ASP B 2 77 ? 48.941 20.018 49.305 1.00 65.26 ? 76 ASP B CB 1 +ATOM 2794 C CG . ASP B 2 77 ? 49.780 19.043 48.513 1.00 66.78 ? 76 ASP B CG 1 +ATOM 2795 O OD1 . ASP B 2 77 ? 50.946 19.381 48.194 1.00 66.60 ? 76 ASP B OD1 1 +ATOM 2796 O OD2 . ASP B 2 77 ? 49.269 17.942 48.206 1.00 68.49 ? 76 ASP B OD2 1 +ATOM 2797 N N . GLU B 2 78 ? 49.503 23.159 50.338 1.00 60.38 ? 77 GLU B N 1 +ATOM 2798 C CA . GLU B 2 78 ? 48.913 24.448 50.683 1.00 58.09 ? 77 GLU B CA 1 +ATOM 2799 C C . GLU B 2 78 ? 48.002 24.976 49.583 1.00 53.84 ? 77 GLU B C 1 +ATOM 2800 O O . GLU B 2 78 ? 48.438 25.145 48.452 1.00 56.91 ? 77 GLU B O 1 +ATOM 2801 C CB . GLU B 2 78 ? 50.020 25.462 50.951 1.00 61.86 ? 77 GLU B CB 1 +ATOM 2802 C CG . GLU B 2 78 ? 51.006 25.038 52.024 1.00 76.33 ? 77 GLU B CG 1 +ATOM 2803 C CD . GLU B 2 78 ? 52.130 26.044 52.205 1.00 86.64 ? 77 GLU B CD 1 +ATOM 2804 O OE1 . GLU B 2 78 ? 51.873 27.122 52.797 1.00 89.03 ? 77 GLU B OE1 1 +ATOM 2805 O OE2 . GLU B 2 78 ? 53.266 25.761 51.749 1.00 90.23 ? 77 GLU B OE2 1 +ATOM 2806 N N . TYR B 2 79 ? 46.752 25.279 49.919 1.00 47.88 ? 78 TYR B N 1 +ATOM 2807 C CA . TYR B 2 79 ? 45.795 25.796 48.943 1.00 41.16 ? 78 TYR B CA 1 +ATOM 2808 C C . TYR B 2 79 ? 45.441 27.264 49.173 1.00 42.73 ? 78 TYR B C 1 +ATOM 2809 O O . TYR B 2 79 ? 45.423 27.725 50.323 1.00 46.70 ? 78 TYR B O 1 +ATOM 2810 C CB . TYR B 2 79 ? 44.539 24.943 48.973 1.00 37.63 ? 78 TYR B CB 1 +ATOM 2811 C CG . TYR B 2 79 ? 44.778 23.559 48.457 1.00 36.87 ? 78 TYR B CG 1 +ATOM 2812 C CD1 . TYR B 2 79 ? 44.724 23.293 47.088 1.00 36.60 ? 78 TYR B CD1 1 +ATOM 2813 C CD2 . TYR B 2 79 ? 45.085 22.519 49.322 1.00 31.58 ? 78 TYR B CD2 1 +ATOM 2814 C CE1 . TYR B 2 79 ? 44.970 22.023 46.594 1.00 37.38 ? 78 TYR B CE1 1 +ATOM 2815 C CE2 . TYR B 2 79 ? 45.334 21.241 48.843 1.00 34.51 ? 78 TYR B CE2 1 +ATOM 2816 C CZ . TYR B 2 79 ? 45.275 20.995 47.475 1.00 40.22 ? 78 TYR B CZ 1 +ATOM 2817 O OH . TYR B 2 79 ? 45.497 19.721 46.986 1.00 39.31 ? 78 TYR B OH 1 +ATOM 2818 N N . ALA B 2 80 ? 45.149 27.992 48.089 1.00 40.22 ? 79 ALA B N 1 +ATOM 2819 C CA . ALA B 2 80 ? 44.793 29.417 48.171 1.00 36.39 ? 79 ALA B CA 1 +ATOM 2820 C C . ALA B 2 80 ? 43.767 29.869 47.139 1.00 34.17 ? 79 ALA B C 1 +ATOM 2821 O O . ALA B 2 80 ? 43.310 29.079 46.317 1.00 30.47 ? 79 ALA B O 1 +ATOM 2822 C CB . ALA B 2 80 ? 46.037 30.280 48.044 1.00 34.78 ? 79 ALA B CB 1 +ATOM 2823 N N . CYS B 2 81 ? 43.394 31.144 47.213 1.00 32.99 ? 80 CYS B N 1 +ATOM 2824 C CA . CYS B 2 81 ? 42.457 31.742 46.273 1.00 31.27 ? 80 CYS B CA 1 +ATOM 2825 C C . CYS B 2 81 ? 42.923 33.157 45.926 1.00 34.62 ? 80 CYS B C 1 +ATOM 2826 O O . CYS B 2 81 ? 42.994 34.028 46.798 1.00 30.59 ? 80 CYS B O 1 +ATOM 2827 C CB . CYS B 2 81 ? 41.019 31.773 46.817 1.00 29.90 ? 80 CYS B CB 1 +ATOM 2828 S SG . CYS B 2 81 ? 39.841 32.350 45.544 1.00 40.42 ? 80 CYS B SG 1 +ATOM 2829 N N . ARG B 2 82 ? 43.347 33.347 44.677 1.00 35.68 ? 81 ARG B N 1 +ATOM 2830 C CA . ARG B 2 82 ? 43.789 34.654 44.217 1.00 37.63 ? 81 ARG B CA 1 +ATOM 2831 C C . ARG B 2 82 ? 42.625 35.382 43.540 1.00 41.76 ? 81 ARG B C 1 +ATOM 2832 O O . ARG B 2 82 ? 42.030 34.883 42.584 1.00 39.31 ? 81 ARG B O 1 +ATOM 2833 C CB . ARG B 2 82 ? 44.971 34.533 43.261 1.00 33.29 ? 81 ARG B CB 1 +ATOM 2834 C CG . ARG B 2 82 ? 45.515 35.883 42.794 1.00 34.30 ? 81 ARG B CG 1 +ATOM 2835 C CD . ARG B 2 82 ? 46.810 35.718 41.996 1.00 40.91 ? 81 ARG B CD 1 +ATOM 2836 N NE . ARG B 2 82 ? 46.655 34.825 40.847 1.00 41.80 ? 81 ARG B NE 1 +ATOM 2837 C CZ . ARG B 2 82 ? 47.509 33.857 40.534 1.00 38.71 ? 81 ARG B CZ 1 +ATOM 2838 N NH1 . ARG B 2 82 ? 48.587 33.654 41.282 1.00 35.76 ? 81 ARG B NH1 1 +ATOM 2839 N NH2 . ARG B 2 82 ? 47.280 33.088 39.477 1.00 43.90 ? 81 ARG B NH2 1 +ATOM 2840 N N . VAL B 2 83 ? 42.304 36.559 44.061 1.00 42.15 ? 82 VAL B N 1 +ATOM 2841 C CA . VAL B 2 83 ? 41.216 37.364 43.551 1.00 37.63 ? 82 VAL B CA 1 +ATOM 2842 C C . VAL B 2 83 ? 41.738 38.716 43.099 1.00 39.10 ? 82 VAL B C 1 +ATOM 2843 O O . VAL B 2 83 ? 42.674 39.256 43.685 1.00 35.60 ? 82 VAL B O 1 +ATOM 2844 C CB . VAL B 2 83 ? 40.149 37.556 44.644 1.00 35.12 ? 82 VAL B CB 1 +ATOM 2845 C CG1 . VAL B 2 83 ? 39.196 38.682 44.298 1.00 38.68 ? 82 VAL B CG1 1 +ATOM 2846 C CG2 . VAL B 2 83 ? 39.386 36.271 44.829 1.00 35.25 ? 82 VAL B CG2 1 +ATOM 2847 N N . ASN B 2 84 ? 41.174 39.218 42.006 1.00 40.08 ? 83 ASN B N 1 +ATOM 2848 C CA . ASN B 2 84 ? 41.543 40.522 41.484 1.00 37.72 ? 83 ASN B CA 1 +ATOM 2849 C C . ASN B 2 84 ? 40.234 41.217 41.090 1.00 37.19 ? 83 ASN B C 1 +ATOM 2850 O O . ASN B 2 84 ? 39.282 40.550 40.653 1.00 32.87 ? 83 ASN B O 1 +ATOM 2851 C CB . ASN B 2 84 ? 42.502 40.398 40.304 1.00 38.78 ? 83 ASN B CB 1 +ATOM 2852 C CG . ASN B 2 84 ? 43.355 41.649 40.110 1.00 43.15 ? 83 ASN B CG 1 +ATOM 2853 O OD1 . ASN B 2 84 ? 43.373 42.551 40.953 1.00 45.44 ? 83 ASN B OD1 1 +ATOM 2854 N ND2 . ASN B 2 84 ? 44.080 41.699 39.002 1.00 45.14 ? 83 ASN B ND2 1 +ATOM 2855 N N . HIS B 2 85 ? 40.181 42.536 41.317 1.00 36.77 ? 84 HIS B N 1 +ATOM 2856 C CA . HIS B 2 85 ? 39.013 43.390 41.057 1.00 35.62 ? 84 HIS B CA 1 +ATOM 2857 C C . HIS B 2 85 ? 39.494 44.856 41.035 1.00 40.15 ? 84 HIS B C 1 +ATOM 2858 O O . HIS B 2 85 ? 40.482 45.189 41.677 1.00 42.44 ? 84 HIS B O 1 +ATOM 2859 C CB . HIS B 2 85 ? 38.006 43.186 42.189 1.00 34.59 ? 84 HIS B CB 1 +ATOM 2860 C CG . HIS B 2 85 ? 36.650 43.776 41.936 1.00 31.67 ? 84 HIS B CG 1 +ATOM 2861 N ND1 . HIS B 2 85 ? 36.293 45.034 42.369 1.00 29.95 ? 84 HIS B ND1 1 +ATOM 2862 C CD2 . HIS B 2 85 ? 35.534 43.234 41.396 1.00 33.31 ? 84 HIS B CD2 1 +ATOM 2863 C CE1 . HIS B 2 85 ? 35.012 45.241 42.115 1.00 28.35 ? 84 HIS B CE1 1 +ATOM 2864 N NE2 . HIS B 2 85 ? 34.528 44.163 41.526 1.00 31.04 ? 84 HIS B NE2 1 +ATOM 2865 N N . VAL B 2 86 ? 38.772 45.739 40.348 1.00 43.48 ? 85 VAL B N 1 +ATOM 2866 C CA . VAL B 2 86 ? 39.174 47.152 40.246 1.00 46.38 ? 85 VAL B CA 1 +ATOM 2867 C C . VAL B 2 86 ? 39.348 47.906 41.561 1.00 45.36 ? 85 VAL B C 1 +ATOM 2868 O O . VAL B 2 86 ? 39.995 48.950 41.599 1.00 45.69 ? 85 VAL B O 1 +ATOM 2869 C CB . VAL B 2 86 ? 38.227 47.985 39.309 1.00 48.73 ? 85 VAL B CB 1 +ATOM 2870 C CG1 . VAL B 2 86 ? 38.512 47.663 37.856 1.00 56.50 ? 85 VAL B CG1 1 +ATOM 2871 C CG2 . VAL B 2 86 ? 36.758 47.712 39.620 1.00 44.65 ? 85 VAL B CG2 1 +ATOM 2872 N N . THR B 2 87 ? 38.755 47.381 42.628 1.00 46.36 ? 86 THR B N 1 +ATOM 2873 C CA . THR B 2 87 ? 38.838 48.006 43.944 1.00 46.37 ? 86 THR B CA 1 +ATOM 2874 C C . THR B 2 87 ? 40.176 47.657 44.590 1.00 48.01 ? 86 THR B C 1 +ATOM 2875 O O . THR B 2 87 ? 40.636 48.338 45.499 1.00 48.99 ? 86 THR B O 1 +ATOM 2876 C CB . THR B 2 87 ? 37.675 47.530 44.870 1.00 42.47 ? 86 THR B CB 1 +ATOM 2877 O OG1 . THR B 2 87 ? 37.389 46.142 44.632 1.00 41.19 ? 86 THR B OG1 1 +ATOM 2878 C CG2 . THR B 2 87 ? 36.423 48.346 44.623 1.00 32.31 ? 86 THR B CG2 1 +ATOM 2879 N N . LEU B 2 88 ? 40.807 46.608 44.080 1.00 48.46 ? 87 LEU B N 1 +ATOM 2880 C CA . LEU B 2 88 ? 42.065 46.125 44.608 1.00 49.70 ? 87 LEU B CA 1 +ATOM 2881 C C . LEU B 2 88 ? 43.295 46.631 43.852 1.00 56.26 ? 87 LEU B C 1 +ATOM 2882 O O . LEU B 2 88 ? 43.455 46.387 42.655 1.00 54.91 ? 87 LEU B O 1 +ATOM 2883 C CB . LEU B 2 88 ? 42.044 44.593 44.627 1.00 44.64 ? 87 LEU B CB 1 +ATOM 2884 C CG . LEU B 2 88 ? 40.878 43.957 45.389 1.00 33.51 ? 87 LEU B CG 1 +ATOM 2885 C CD1 . LEU B 2 88 ? 40.636 42.542 44.933 1.00 29.42 ? 87 LEU B CD1 1 +ATOM 2886 C CD2 . LEU B 2 88 ? 41.163 43.996 46.859 1.00 32.67 ? 87 LEU B CD2 1 +ATOM 2887 N N . SER B 2 89 ? 44.177 47.310 44.584 1.00 63.01 ? 88 SER B N 1 +ATOM 2888 C CA . SER B 2 89 ? 45.420 47.848 44.040 1.00 62.98 ? 88 SER B CA 1 +ATOM 2889 C C . SER B 2 89 ? 46.388 46.710 43.681 1.00 63.01 ? 88 SER B C 1 +ATOM 2890 O O . SER B 2 89 ? 47.368 46.922 42.962 1.00 58.73 ? 88 SER B O 1 +ATOM 2891 C CB . SER B 2 89 ? 46.063 48.814 45.058 1.00 66.85 ? 88 SER B CB 1 +ATOM 2892 O OG . SER B 2 89 ? 46.039 48.303 46.391 1.00 69.53 ? 88 SER B OG 1 +ATOM 2893 N N . GLN B 2 90 ? 46.098 45.514 44.198 1.00 66.06 ? 89 GLN B N 1 +ATOM 2894 C CA . GLN B 2 90 ? 46.899 44.305 43.980 1.00 67.07 ? 89 GLN B CA 1 +ATOM 2895 C C . GLN B 2 90 ? 45.996 43.084 44.213 1.00 63.87 ? 89 GLN B C 1 +ATOM 2896 O O . GLN B 2 90 ? 45.008 43.175 44.941 1.00 67.42 ? 89 GLN B O 1 +ATOM 2897 C CB . GLN B 2 90 ? 48.080 44.262 44.966 1.00 69.28 ? 89 GLN B CB 1 +ATOM 2898 C CG . GLN B 2 90 ? 47.677 44.154 46.442 1.00 76.95 ? 89 GLN B CG 1 +ATOM 2899 C CD . GLN B 2 90 ? 48.853 43.832 47.363 1.00 84.14 ? 89 GLN B CD 1 +ATOM 2900 O OE1 . GLN B 2 90 ? 50.001 43.706 46.919 1.00 84.90 ? 89 GLN B OE1 1 +ATOM 2901 N NE2 . GLN B 2 90 ? 48.570 43.702 48.655 1.00 84.74 ? 89 GLN B NE2 1 +ATOM 2902 N N . PRO B 2 91 ? 46.328 41.926 43.610 1.00 60.23 ? 90 PRO B N 1 +ATOM 2903 C CA . PRO B 2 91 ? 45.514 40.716 43.788 1.00 61.33 ? 90 PRO B CA 1 +ATOM 2904 C C . PRO B 2 91 ? 45.465 40.250 45.255 1.00 66.37 ? 90 PRO B C 1 +ATOM 2905 O O . PRO B 2 91 ? 46.502 40.059 45.900 1.00 69.80 ? 90 PRO B O 1 +ATOM 2906 C CB . PRO B 2 91 ? 46.237 39.688 42.915 1.00 54.96 ? 90 PRO B CB 1 +ATOM 2907 C CG . PRO B 2 91 ? 46.920 40.515 41.888 1.00 55.56 ? 90 PRO B CG 1 +ATOM 2908 C CD . PRO B 2 91 ? 47.448 41.663 42.695 1.00 58.36 ? 90 PRO B CD 1 +ATOM 2909 N N . LYS B 2 92 ? 44.259 40.083 45.784 1.00 66.18 ? 91 LYS B N 1 +ATOM 2910 C CA . LYS B 2 92 ? 44.082 39.631 47.158 1.00 62.84 ? 91 LYS B CA 1 +ATOM 2911 C C . LYS B 2 92 ? 44.291 38.115 47.182 1.00 59.01 ? 91 LYS B C 1 +ATOM 2912 O O . LYS B 2 92 ? 43.670 37.375 46.425 1.00 55.19 ? 91 LYS B O 1 +ATOM 2913 C CB . LYS B 2 92 ? 42.672 40.005 47.653 1.00 64.86 ? 91 LYS B CB 1 +ATOM 2914 C CG . LYS B 2 92 ? 42.385 39.773 49.139 1.00 65.90 ? 91 LYS B CG 1 +ATOM 2915 C CD . LYS B 2 92 ? 43.010 40.836 50.028 1.00 68.62 ? 91 LYS B CD 1 +ATOM 2916 C CE . LYS B 2 92 ? 42.666 40.591 51.492 1.00 69.39 ? 91 LYS B CE 1 +ATOM 2917 N NZ . LYS B 2 92 ? 43.600 41.300 52.424 1.00 72.64 ? 91 LYS B NZ 1 +ATOM 2918 N N . ILE B 2 93 ? 45.229 37.669 48.002 1.00 58.39 ? 92 ILE B N 1 +ATOM 2919 C CA . ILE B 2 93 ? 45.515 36.250 48.141 1.00 58.62 ? 92 ILE B CA 1 +ATOM 2920 C C . ILE B 2 93 ? 44.957 35.814 49.494 1.00 58.78 ? 92 ILE B C 1 +ATOM 2921 O O . ILE B 2 93 ? 45.248 36.433 50.523 1.00 64.20 ? 92 ILE B O 1 +ATOM 2922 C CB . ILE B 2 93 ? 47.024 35.977 48.147 1.00 59.43 ? 92 ILE B CB 1 +ATOM 2923 C CG1 . ILE B 2 93 ? 47.670 36.531 46.878 1.00 59.71 ? 92 ILE B CG1 1 +ATOM 2924 C CG2 . ILE B 2 93 ? 47.277 34.470 48.276 1.00 59.94 ? 92 ILE B CG2 1 +ATOM 2925 C CD1 . ILE B 2 93 ? 47.645 35.566 45.717 1.00 61.83 ? 92 ILE B CD1 1 +ATOM 2926 N N . VAL B 2 94 ? 44.153 34.759 49.494 1.00 52.34 ? 93 VAL B N 1 +ATOM 2927 C CA . VAL B 2 94 ? 43.570 34.256 50.721 1.00 46.08 ? 93 VAL B CA 1 +ATOM 2928 C C . VAL B 2 94 ? 43.931 32.786 50.841 1.00 45.85 ? 93 VAL B C 1 +ATOM 2929 O O . VAL B 2 94 ? 43.628 32.005 49.943 1.00 42.51 ? 93 VAL B O 1 +ATOM 2930 C CB . VAL B 2 94 ? 42.032 34.442 50.720 1.00 45.30 ? 93 VAL B CB 1 +ATOM 2931 C CG1 . VAL B 2 94 ? 41.408 33.740 51.914 1.00 47.19 ? 93 VAL B CG1 1 +ATOM 2932 C CG2 . VAL B 2 94 ? 41.692 35.931 50.761 1.00 40.65 ? 93 VAL B CG2 1 +ATOM 2933 N N . LYS B 2 95 ? 44.632 32.424 51.915 1.00 46.36 ? 94 LYS B N 1 +ATOM 2934 C CA . LYS B 2 95 ? 45.021 31.037 52.118 1.00 44.46 ? 94 LYS B CA 1 +ATOM 2935 C C . LYS B 2 95 ? 43.894 30.255 52.760 1.00 42.25 ? 94 LYS B C 1 +ATOM 2936 O O . LYS B 2 95 ? 43.056 30.813 53.467 1.00 41.32 ? 94 LYS B O 1 +ATOM 2937 C CB . LYS B 2 95 ? 46.272 30.930 52.985 1.00 49.07 ? 94 LYS B CB 1 +ATOM 2938 C CG . LYS B 2 95 ? 47.537 31.534 52.383 1.00 55.18 ? 94 LYS B CG 1 +ATOM 2939 C CD . LYS B 2 95 ? 48.727 31.274 53.303 1.00 59.74 ? 94 LYS B CD 1 +ATOM 2940 C CE . LYS B 2 95 ? 49.879 32.244 53.068 1.00 60.54 ? 94 LYS B CE 1 +ATOM 2941 N NZ . LYS B 2 95 ? 51.013 32.037 54.027 1.00 61.83 ? 94 LYS B NZ 1 +ATOM 2942 N N . TRP B 2 96 ? 43.860 28.961 52.481 1.00 41.15 ? 95 TRP B N 1 +ATOM 2943 C CA . TRP B 2 96 ? 42.847 28.090 53.034 1.00 44.98 ? 95 TRP B CA 1 +ATOM 2944 C C . TRP B 2 96 ? 43.274 27.582 54.399 1.00 54.25 ? 95 TRP B C 1 +ATOM 2945 O O . TRP B 2 96 ? 44.351 26.989 54.543 1.00 57.63 ? 95 TRP B O 1 +ATOM 2946 C CB . TRP B 2 96 ? 42.634 26.894 52.128 1.00 38.30 ? 95 TRP B CB 1 +ATOM 2947 C CG . TRP B 2 96 ? 41.702 25.889 52.707 1.00 32.30 ? 95 TRP B CG 1 +ATOM 2948 C CD1 . TRP B 2 96 ? 40.401 26.097 53.078 1.00 24.84 ? 95 TRP B CD1 1 +ATOM 2949 C CD2 . TRP B 2 96 ? 41.955 24.494 52.894 1.00 32.40 ? 95 TRP B CD2 1 +ATOM 2950 N NE1 . TRP B 2 96 ? 39.826 24.906 53.460 1.00 30.16 ? 95 TRP B NE1 1 +ATOM 2951 C CE2 . TRP B 2 96 ? 40.754 23.905 53.355 1.00 32.28 ? 95 TRP B CE2 1 +ATOM 2952 C CE3 . TRP B 2 96 ? 43.081 23.676 52.706 1.00 34.62 ? 95 TRP B CE3 1 +ATOM 2953 C CZ2 . TRP B 2 96 ? 40.646 22.528 53.629 1.00 34.26 ? 95 TRP B CZ2 1 +ATOM 2954 C CZ3 . TRP B 2 96 ? 42.969 22.304 52.980 1.00 32.92 ? 95 TRP B CZ3 1 +ATOM 2955 C CH2 . TRP B 2 96 ? 41.760 21.748 53.435 1.00 27.36 ? 95 TRP B CH2 1 +ATOM 2956 N N . ASP B 2 97 ? 42.413 27.781 55.392 1.00 56.77 ? 96 ASP B N 1 +ATOM 2957 C CA . ASP B 2 97 ? 42.684 27.316 56.743 1.00 55.52 ? 96 ASP B CA 1 +ATOM 2958 C C . ASP B 2 97 ? 41.530 26.390 57.044 1.00 56.41 ? 96 ASP B C 1 +ATOM 2959 O O . ASP B 2 97 ? 40.391 26.839 57.102 1.00 59.40 ? 96 ASP B O 1 +ATOM 2960 C CB . ASP B 2 97 ? 42.691 28.485 57.727 1.00 60.16 ? 96 ASP B CB 1 +ATOM 2961 C CG . ASP B 2 97 ? 42.894 28.037 59.168 1.00 65.86 ? 96 ASP B CG 1 +ATOM 2962 O OD1 . ASP B 2 97 ? 43.242 26.853 59.394 1.00 69.98 ? 96 ASP B OD1 1 +ATOM 2963 O OD2 . ASP B 2 97 ? 42.702 28.873 60.081 1.00 69.88 ? 96 ASP B OD2 1 +ATOM 2964 N N . ARG B 2 98 ? 41.823 25.109 57.259 1.00 56.09 ? 97 ARG B N 1 +ATOM 2965 C CA . ARG B 2 98 ? 40.777 24.118 57.513 1.00 56.86 ? 97 ARG B CA 1 +ATOM 2966 C C . ARG B 2 98 ? 39.858 24.329 58.728 1.00 59.63 ? 97 ARG B C 1 +ATOM 2967 O O . ARG B 2 98 ? 38.938 23.536 58.961 1.00 60.32 ? 97 ARG B O 1 +ATOM 2968 C CB . ARG B 2 98 ? 41.372 22.712 57.509 1.00 54.38 ? 97 ARG B CB 1 +ATOM 2969 C CG . ARG B 2 98 ? 42.524 22.515 58.450 1.00 55.68 ? 97 ARG B CG 1 +ATOM 2970 C CD . ARG B 2 98 ? 42.914 21.055 58.480 1.00 55.45 ? 97 ARG B CD 1 +ATOM 2971 N NE . ARG B 2 98 ? 43.806 20.712 57.379 1.00 55.16 ? 97 ARG B NE 1 +ATOM 2972 C CZ . ARG B 2 98 ? 43.817 19.536 56.761 1.00 56.01 ? 97 ARG B CZ 1 +ATOM 2973 N NH1 . ARG B 2 98 ? 42.967 18.581 57.124 1.00 56.18 ? 97 ARG B NH1 1 +ATOM 2974 N NH2 . ARG B 2 98 ? 44.718 19.301 55.813 1.00 55.21 ? 97 ARG B NH2 1 +ATOM 2975 N N . ASP B 2 99 ? 40.102 25.402 59.480 1.00 62.17 ? 98 ASP B N 1 +ATOM 2976 C CA . ASP B 2 99 ? 39.305 25.758 60.662 1.00 61.89 ? 98 ASP B CA 1 +ATOM 2977 C C . ASP B 2 99 ? 38.404 26.983 60.386 1.00 58.46 ? 98 ASP B C 1 +ATOM 2978 O O . ASP B 2 99 ? 37.798 27.547 61.304 1.00 55.59 ? 98 ASP B O 1 +ATOM 2979 C CB . ASP B 2 99 ? 40.227 26.035 61.872 1.00 60.91 ? 98 ASP B CB 1 +ATOM 2980 C CG . ASP B 2 99 ? 41.123 24.842 62.229 1.00 59.41 ? 98 ASP B CG 1 +ATOM 2981 O OD1 . ASP B 2 99 ? 40.631 23.692 62.198 1.00 63.24 ? 98 ASP B OD1 1 +ATOM 2982 O OD2 . ASP B 2 99 ? 42.315 25.053 62.551 1.00 49.32 ? 98 ASP B OD2 1 +ATOM 2983 N N . MET B 2 100 ? 38.335 27.389 59.120 1.00 55.18 ? 99 MET B N 1 +ATOM 2984 C CA . MET B 2 100 ? 37.516 28.518 58.695 1.00 55.22 ? 99 MET B CA 1 +ATOM 2985 C C . MET B 2 100 ? 36.655 28.124 57.495 1.00 57.44 ? 99 MET B C 1 +ATOM 2986 O O . MET B 2 100 ? 35.692 28.854 57.199 1.00 56.29 ? 99 MET B O 1 +ATOM 2987 C CB . MET B 2 100 ? 38.392 29.709 58.319 1.00 54.73 ? 99 MET B CB 1 +ATOM 2988 C CG . MET B 2 100 ? 38.944 30.468 59.491 1.00 55.66 ? 99 MET B CG 1 +ATOM 2989 S SD . MET B 2 100 ? 40.009 31.806 58.930 1.00 67.10 ? 99 MET B SD 1 +ATOM 2990 C CE . MET B 2 100 ? 39.057 33.255 59.408 1.00 65.59 ? 99 MET B CE 1 +ATOM 2991 O OXT . MET B 2 100 ? 36.930 27.079 56.865 1.00 63.11 ? 99 MET B OXT 1 +ATOM 2992 N N . LEU C 3 1 ? 8.747 29.906 34.624 1.00 27.96 ? 1 LEU C N 1 +ATOM 2993 C CA . LEU C 3 1 ? 8.526 30.468 33.267 1.00 28.73 ? 1 LEU C CA 1 +ATOM 2994 C C . LEU C 3 1 ? 8.849 31.957 33.325 1.00 27.50 ? 1 LEU C C 1 +ATOM 2995 O O . LEU C 3 1 ? 8.493 32.617 34.289 1.00 29.89 ? 1 LEU C O 1 +ATOM 2996 C CB . LEU C 3 1 ? 7.073 30.272 32.867 1.00 29.19 ? 1 LEU C CB 1 +ATOM 2997 C CG . LEU C 3 1 ? 6.788 30.392 31.380 1.00 27.52 ? 1 LEU C CG 1 +ATOM 2998 C CD1 . LEU C 3 1 ? 7.337 29.161 30.682 1.00 28.19 ? 1 LEU C CD1 1 +ATOM 2999 C CD2 . LEU C 3 1 ? 5.285 30.511 31.156 1.00 27.18 ? 1 LEU C CD2 1 +ATOM 3000 N N . LEU C 3 2 ? 9.594 32.454 32.346 1.00 26.72 ? 2 LEU C N 1 +ATOM 3001 C CA . LEU C 3 2 ? 9.955 33.859 32.313 1.00 24.17 ? 2 LEU C CA 1 +ATOM 3002 C C . LEU C 3 2 ? 8.797 34.727 31.863 1.00 25.70 ? 2 LEU C C 1 +ATOM 3003 O O . LEU C 3 2 ? 7.815 34.252 31.283 1.00 27.53 ? 2 LEU C O 1 +ATOM 3004 C CB . LEU C 3 2 ? 11.115 34.120 31.354 1.00 19.35 ? 2 LEU C CB 1 +ATOM 3005 C CG . LEU C 3 2 ? 12.559 33.732 31.602 1.00 21.18 ? 2 LEU C CG 1 +ATOM 3006 C CD1 . LEU C 3 2 ? 12.866 32.531 30.798 1.00 27.30 ? 2 LEU C CD1 1 +ATOM 3007 C CD2 . LEU C 3 2 ? 13.461 34.842 31.116 1.00 26.86 ? 2 LEU C CD2 1 +ATOM 3008 N N . PHE C 3 3 ? 8.952 36.019 32.123 1.00 31.27 ? 3 PHE C N 1 +ATOM 3009 C CA . PHE C 3 3 ? 7.992 37.045 31.738 1.00 30.86 ? 3 PHE C CA 1 +ATOM 3010 C C . PHE C 3 3 ? 8.092 37.130 30.215 1.00 28.94 ? 3 PHE C C 1 +ATOM 3011 O O . PHE C 3 3 ? 9.177 36.981 29.646 1.00 26.80 ? 3 PHE C O 1 +ATOM 3012 C CB . PHE C 3 3 ? 8.408 38.378 32.379 1.00 25.23 ? 3 PHE C CB 1 +ATOM 3013 C CG . PHE C 3 3 ? 7.573 39.553 31.962 1.00 15.06 ? 3 PHE C CG 1 +ATOM 3014 C CD1 . PHE C 3 3 ? 6.201 39.433 31.818 1.00 17.71 ? 3 PHE C CD1 1 +ATOM 3015 C CD2 . PHE C 3 3 ? 8.159 40.795 31.776 1.00 13.97 ? 3 PHE C CD2 1 +ATOM 3016 C CE1 . PHE C 3 3 ? 5.421 40.546 31.504 1.00 13.07 ? 3 PHE C CE1 1 +ATOM 3017 C CE2 . PHE C 3 3 ? 7.393 41.916 31.463 1.00 13.40 ? 3 PHE C CE2 1 +ATOM 3018 C CZ . PHE C 3 3 ? 6.025 41.795 31.327 1.00 9.56 ? 3 PHE C CZ 1 +ATOM 3019 N N . GLY C 3 4 ? 6.976 37.389 29.559 1.00 27.95 ? 4 GLY C N 1 +ATOM 3020 C CA . GLY C 3 4 ? 7.020 37.457 28.116 1.00 32.61 ? 4 GLY C CA 1 +ATOM 3021 C C . GLY C 3 4 ? 6.967 38.809 27.433 1.00 33.23 ? 4 GLY C C 1 +ATOM 3022 O O . GLY C 3 4 ? 7.038 38.846 26.200 1.00 39.20 ? 4 GLY C O 1 +ATOM 3023 N N . TYR C 3 5 ? 6.870 39.908 28.188 1.00 30.22 ? 5 TYR C N 1 +ATOM 3024 C CA . TYR C 3 5 ? 6.764 41.232 27.566 1.00 23.52 ? 5 TYR C CA 1 +ATOM 3025 C C . TYR C 3 5 ? 7.662 42.332 28.079 1.00 23.22 ? 5 TYR C C 1 +ATOM 3026 O O . TYR C 3 5 ? 7.173 43.374 28.529 1.00 28.19 ? 5 TYR C O 1 +ATOM 3027 C CB . TYR C 3 5 ? 5.313 41.727 27.590 1.00 17.96 ? 5 TYR C CB 1 +ATOM 3028 C CG . TYR C 3 5 ? 4.348 40.707 27.038 1.00 17.80 ? 5 TYR C CG 1 +ATOM 3029 C CD1 . TYR C 3 5 ? 4.137 39.509 27.711 1.00 14.87 ? 5 TYR C CD1 1 +ATOM 3030 C CD2 . TYR C 3 5 ? 3.713 40.895 25.819 1.00 12.75 ? 5 TYR C CD2 1 +ATOM 3031 C CE1 . TYR C 3 5 ? 3.347 38.526 27.195 1.00 19.43 ? 5 TYR C CE1 1 +ATOM 3032 C CE2 . TYR C 3 5 ? 2.908 39.908 25.292 1.00 15.01 ? 5 TYR C CE2 1 +ATOM 3033 C CZ . TYR C 3 5 ? 2.740 38.721 25.994 1.00 17.70 ? 5 TYR C CZ 1 +ATOM 3034 O OH . TYR C 3 5 ? 1.994 37.689 25.514 1.00 31.33 ? 5 TYR C OH 1 +ATOM 3035 N N . PRO C 3 6 ? 8.987 42.100 28.080 1.00 21.62 ? 6 PRO C N 1 +ATOM 3036 C CA . PRO C 3 6 ? 9.892 43.156 28.556 1.00 20.31 ? 6 PRO C CA 1 +ATOM 3037 C C . PRO C 3 6 ? 9.883 44.311 27.542 1.00 23.22 ? 6 PRO C C 1 +ATOM 3038 O O . PRO C 3 6 ? 9.742 44.083 26.343 1.00 35.12 ? 6 PRO C O 1 +ATOM 3039 C CB . PRO C 3 6 ? 11.248 42.439 28.606 1.00 18.05 ? 6 PRO C CB 1 +ATOM 3040 C CG . PRO C 3 6 ? 11.117 41.348 27.548 1.00 8.09 ? 6 PRO C CG 1 +ATOM 3041 C CD . PRO C 3 6 ? 9.720 40.851 27.797 1.00 16.91 ? 6 PRO C CD 1 +ATOM 3042 N N . VAL C 3 7 ? 10.033 45.542 28.013 1.00 24.96 ? 7 VAL C N 1 +ATOM 3043 C CA . VAL C 3 7 ? 10.010 46.709 27.139 1.00 21.69 ? 7 VAL C CA 1 +ATOM 3044 C C . VAL C 3 7 ? 11.235 47.545 27.393 1.00 21.29 ? 7 VAL C C 1 +ATOM 3045 O O . VAL C 3 7 ? 11.759 47.538 28.492 1.00 31.32 ? 7 VAL C O 1 +ATOM 3046 C CB . VAL C 3 7 ? 8.736 47.552 27.387 1.00 27.73 ? 7 VAL C CB 1 +ATOM 3047 C CG1 . VAL C 3 7 ? 8.817 48.903 26.664 1.00 35.39 ? 7 VAL C CG1 1 +ATOM 3048 C CG2 . VAL C 3 7 ? 7.495 46.770 26.916 1.00 27.50 ? 7 VAL C CG2 1 +ATOM 3049 N N . TYR C 3 8 ? 11.716 48.222 26.363 1.00 24.74 ? 8 TYR C N 1 +ATOM 3050 C CA . TYR C 3 8 ? 12.897 49.069 26.472 1.00 30.44 ? 8 TYR C CA 1 +ATOM 3051 C C . TYR C 3 8 ? 12.655 50.211 27.465 1.00 33.78 ? 8 TYR C C 1 +ATOM 3052 O O . TYR C 3 8 ? 11.530 50.713 27.573 1.00 33.54 ? 8 TYR C O 1 +ATOM 3053 C CB . TYR C 3 8 ? 13.254 49.642 25.088 1.00 35.90 ? 8 TYR C CB 1 +ATOM 3054 C CG . TYR C 3 8 ? 13.536 48.595 24.024 1.00 39.76 ? 8 TYR C CG 1 +ATOM 3055 C CD1 . TYR C 3 8 ? 14.425 47.547 24.264 1.00 41.30 ? 8 TYR C CD1 1 +ATOM 3056 C CD2 . TYR C 3 8 ? 12.926 48.662 22.778 1.00 38.67 ? 8 TYR C CD2 1 +ATOM 3057 C CE1 . TYR C 3 8 ? 14.702 46.593 23.295 1.00 42.88 ? 8 TYR C CE1 1 +ATOM 3058 C CE2 . TYR C 3 8 ? 13.196 47.710 21.791 1.00 44.72 ? 8 TYR C CE2 1 +ATOM 3059 C CZ . TYR C 3 8 ? 14.089 46.677 22.053 1.00 47.03 ? 8 TYR C CZ 1 +ATOM 3060 O OH . TYR C 3 8 ? 14.395 45.754 21.064 1.00 44.11 ? 8 TYR C OH 1 +ATOM 3061 N N . VAL C 3 9 ? 13.699 50.593 28.207 1.00 33.31 ? 9 VAL C N 1 +ATOM 3062 C CA . VAL C 3 9 ? 13.606 51.680 29.177 1.00 30.25 ? 9 VAL C CA 1 +ATOM 3063 C C . VAL C 3 9 ? 13.748 53.015 28.468 1.00 37.94 ? 9 VAL C C 1 +ATOM 3064 O O . VAL C 3 9 ? 13.333 54.025 29.062 1.00 47.08 ? 9 VAL C O 1 +ATOM 3065 C CB . VAL C 3 9 ? 14.710 51.618 30.267 1.00 26.33 ? 9 VAL C CB 1 +ATOM 3066 C CG1 . VAL C 3 9 ? 14.662 50.307 31.013 1.00 30.08 ? 9 VAL C CG1 1 +ATOM 3067 C CG2 . VAL C 3 9 ? 16.073 51.872 29.674 1.00 11.60 ? 9 VAL C CG2 1 +ATOM 3068 O OXT . VAL C 3 9 ? 14.315 53.043 27.354 1.00 42.75 ? 9 VAL C OXT 1 +ATOM 3069 N N . GLN D 4 1 ? 1.873 23.695 21.102 1.00 54.14 ? 1 GLN D N 1 +ATOM 3070 C CA . GLN D 4 1 ? 1.149 24.990 21.258 1.00 56.06 ? 1 GLN D CA 1 +ATOM 3071 C C . GLN D 4 1 ? 0.037 25.014 20.227 1.00 56.05 ? 1 GLN D C 1 +ATOM 3072 O O . GLN D 4 1 ? 0.201 25.597 19.159 1.00 64.80 ? 1 GLN D O 1 +ATOM 3073 C CB . GLN D 4 1 ? 2.107 26.154 21.009 1.00 53.77 ? 1 GLN D CB 1 +ATOM 3074 C CG . GLN D 4 1 ? 3.380 26.068 21.833 1.00 64.69 ? 1 GLN D CG 1 +ATOM 3075 C CD . GLN D 4 1 ? 4.496 26.920 21.270 1.00 68.07 ? 1 GLN D CD 1 +ATOM 3076 O OE1 . GLN D 4 1 ? 4.253 28.015 20.774 1.00 66.79 ? 1 GLN D OE1 1 +ATOM 3077 N NE2 . GLN D 4 1 ? 5.728 26.411 21.328 1.00 73.27 ? 1 GLN D NE2 1 +ATOM 3078 N N . GLN D 4 2 ? -1.065 24.333 20.527 1.00 50.10 ? 2 GLN D N 1 +ATOM 3079 C CA . GLN D 4 2 ? -2.197 24.255 19.610 1.00 47.53 ? 2 GLN D CA 1 +ATOM 3080 C C . GLN D 4 2 ? -3.390 25.065 20.119 1.00 41.71 ? 2 GLN D C 1 +ATOM 3081 O O . GLN D 4 2 ? -3.625 25.152 21.322 1.00 41.34 ? 2 GLN D O 1 +ATOM 3082 C CB . GLN D 4 2 ? -2.607 22.786 19.423 1.00 52.88 ? 2 GLN D CB 1 +ATOM 3083 C CG . GLN D 4 2 ? -3.291 22.453 18.091 1.00 66.32 ? 2 GLN D CG 1 +ATOM 3084 C CD . GLN D 4 2 ? -2.307 22.144 16.948 1.00 73.83 ? 2 GLN D CD 1 +ATOM 3085 O OE1 . GLN D 4 2 ? -1.092 22.348 17.069 1.00 77.55 ? 2 GLN D OE1 1 +ATOM 3086 N NE2 . GLN D 4 2 ? -2.839 21.648 15.833 1.00 76.11 ? 2 GLN D NE2 1 +ATOM 3087 N N . VAL D 4 3 ? -4.086 25.722 19.200 1.00 38.13 ? 3 VAL D N 1 +ATOM 3088 C CA . VAL D 4 3 ? -5.275 26.502 19.528 1.00 33.35 ? 3 VAL D CA 1 +ATOM 3089 C C . VAL D 4 3 ? -6.327 25.877 18.636 1.00 36.11 ? 3 VAL D C 1 +ATOM 3090 O O . VAL D 4 3 ? -6.214 25.917 17.417 1.00 37.78 ? 3 VAL D O 1 +ATOM 3091 C CB . VAL D 4 3 ? -5.137 27.987 19.159 1.00 26.16 ? 3 VAL D CB 1 +ATOM 3092 C CG1 . VAL D 4 3 ? -6.434 28.718 19.512 1.00 21.62 ? 3 VAL D CG1 1 +ATOM 3093 C CG2 . VAL D 4 3 ? -3.934 28.605 19.871 1.00 22.01 ? 3 VAL D CG2 1 +ATOM 3094 N N . LYS D 4 4 ? -7.309 25.230 19.238 1.00 41.68 ? 4 LYS D N 1 +ATOM 3095 C CA . LYS D 4 4 ? -8.321 24.562 18.457 1.00 45.99 ? 4 LYS D CA 1 +ATOM 3096 C C . LYS D 4 4 ? -9.637 25.305 18.396 1.00 44.97 ? 4 LYS D C 1 +ATOM 3097 O O . LYS D 4 4 ? -10.232 25.607 19.420 1.00 47.98 ? 4 LYS D O 1 +ATOM 3098 C CB . LYS D 4 4 ? -8.524 23.128 18.976 1.00 43.65 ? 4 LYS D CB 1 +ATOM 3099 N N . GLN D 4 5 ? -10.053 25.657 17.188 1.00 50.42 ? 5 GLN D N 1 +ATOM 3100 C CA . GLN D 4 5 ? -11.338 26.317 16.983 1.00 56.58 ? 5 GLN D CA 1 +ATOM 3101 C C . GLN D 4 5 ? -12.208 25.327 16.217 1.00 62.50 ? 5 GLN D C 1 +ATOM 3102 O O . GLN D 4 5 ? -12.062 25.165 15.004 1.00 64.40 ? 5 GLN D O 1 +ATOM 3103 C CB . GLN D 4 5 ? -11.200 27.588 16.150 1.00 51.37 ? 5 GLN D CB 1 +ATOM 3104 C CG . GLN D 4 5 ? -10.322 28.648 16.739 1.00 43.70 ? 5 GLN D CG 1 +ATOM 3105 C CD . GLN D 4 5 ? -10.193 29.825 15.822 1.00 36.20 ? 5 GLN D CD 1 +ATOM 3106 O OE1 . GLN D 4 5 ? -11.097 30.638 15.716 1.00 38.03 ? 5 GLN D OE1 1 +ATOM 3107 N NE2 . GLN D 4 5 ? -9.063 29.924 15.146 1.00 33.54 ? 5 GLN D NE2 1 +ATOM 3108 N N . ASN D 4 6 ? -13.030 24.579 16.941 1.00 69.45 ? 6 ASN D N 1 +ATOM 3109 C CA . ASN D 4 6 ? -13.931 23.629 16.303 1.00 72.28 ? 6 ASN D CA 1 +ATOM 3110 C C . ASN D 4 6 ? -15.020 24.487 15.679 1.00 73.29 ? 6 ASN D C 1 +ATOM 3111 O O . ASN D 4 6 ? -15.052 25.701 15.899 1.00 79.35 ? 6 ASN D O 1 +ATOM 3112 C CB . ASN D 4 6 ? -14.544 22.690 17.340 1.00 79.21 ? 6 ASN D CB 1 +ATOM 3113 C CG . ASN D 4 6 ? -13.608 21.564 17.741 1.00 83.12 ? 6 ASN D CG 1 +ATOM 3114 O OD1 . ASN D 4 6 ? -13.931 20.387 17.564 1.00 87.22 ? 6 ASN D OD1 1 +ATOM 3115 N ND2 . ASN D 4 6 ? -12.450 21.913 18.291 1.00 81.04 ? 6 ASN D ND2 1 +ATOM 3116 N N . SER D 4 7 ? -15.950 23.860 14.971 1.00 68.63 ? 7 SER D N 1 +ATOM 3117 C CA . SER D 4 7 ? -17.028 24.600 14.325 1.00 68.89 ? 7 SER D CA 1 +ATOM 3118 C C . SER D 4 7 ? -16.459 25.599 13.319 1.00 65.65 ? 7 SER D C 1 +ATOM 3119 O O . SER D 4 7 ? -16.195 26.759 13.652 1.00 66.27 ? 7 SER D O 1 +ATOM 3120 C CB . SER D 4 7 ? -17.901 25.333 15.356 1.00 69.15 ? 7 SER D CB 1 +ATOM 3121 O OG . SER D 4 7 ? -18.576 24.416 16.197 1.00 71.03 ? 7 SER D OG 1 +ATOM 3122 N N . PRO D 4 8 ? -16.262 25.146 12.071 1.00 60.96 ? 8 PRO D N 1 +ATOM 3123 C CA . PRO D 4 8 ? -15.730 25.920 10.947 1.00 56.06 ? 8 PRO D CA 1 +ATOM 3124 C C . PRO D 4 8 ? -16.667 27.045 10.496 1.00 55.13 ? 8 PRO D C 1 +ATOM 3125 O O . PRO D 4 8 ? -16.212 28.092 10.044 1.00 54.64 ? 8 PRO D O 1 +ATOM 3126 C CB . PRO D 4 8 ? -15.605 24.870 9.848 1.00 55.92 ? 8 PRO D CB 1 +ATOM 3127 C CG . PRO D 4 8 ? -15.506 23.566 10.606 1.00 58.17 ? 8 PRO D CG 1 +ATOM 3128 C CD . PRO D 4 8 ? -16.507 23.750 11.673 1.00 57.11 ? 8 PRO D CD 1 +ATOM 3129 N N . SER D 4 9 ? -17.972 26.814 10.613 1.00 57.85 ? 9 SER D N 1 +ATOM 3130 C CA . SER D 4 9 ? -18.976 27.784 10.181 1.00 61.32 ? 9 SER D CA 1 +ATOM 3131 C C . SER D 4 9 ? -19.978 28.195 11.255 1.00 59.96 ? 9 SER D C 1 +ATOM 3132 O O . SER D 4 9 ? -20.176 27.484 12.244 1.00 62.72 ? 9 SER D O 1 +ATOM 3133 C CB . SER D 4 9 ? -19.750 27.203 8.996 1.00 65.73 ? 9 SER D CB 1 +ATOM 3134 O OG . SER D 4 9 ? -20.403 25.994 9.364 1.00 75.51 ? 9 SER D OG 1 +ATOM 3135 N N . LEU D 4 10 ? -20.674 29.300 10.992 1.00 57.61 ? 10 LEU D N 1 +ATOM 3136 C CA . LEU D 4 10 ? -21.683 29.824 11.899 1.00 53.79 ? 10 LEU D CA 1 +ATOM 3137 C C . LEU D 4 10 ? -22.508 30.940 11.256 1.00 52.11 ? 10 LEU D C 1 +ATOM 3138 O O . LEU D 4 10 ? -21.964 31.961 10.835 1.00 48.34 ? 10 LEU D O 1 +ATOM 3139 C CB . LEU D 4 10 ? -21.024 30.361 13.169 1.00 56.41 ? 10 LEU D CB 1 +ATOM 3140 C CG . LEU D 4 10 ? -21.995 30.791 14.267 1.00 54.90 ? 10 LEU D CG 1 +ATOM 3141 C CD1 . LEU D 4 10 ? -22.678 29.563 14.858 1.00 56.46 ? 10 LEU D CD1 1 +ATOM 3142 C CD2 . LEU D 4 10 ? -21.251 31.559 15.337 1.00 55.54 ? 10 LEU D CD2 1 +ATOM 3143 N N . SER D 4 11 ? -23.820 30.737 11.187 1.00 50.29 ? 11 SER D N 1 +ATOM 3144 C CA . SER D 4 11 ? -24.728 31.732 10.634 1.00 47.48 ? 11 SER D CA 1 +ATOM 3145 C C . SER D 4 11 ? -25.655 32.177 11.760 1.00 46.58 ? 11 SER D C 1 +ATOM 3146 O O . SER D 4 11 ? -26.139 31.354 12.533 1.00 44.12 ? 11 SER D O 1 +ATOM 3147 C CB . SER D 4 11 ? -25.563 31.138 9.495 1.00 55.46 ? 11 SER D CB 1 +ATOM 3148 O OG . SER D 4 11 ? -24.796 30.872 8.326 1.00 64.06 ? 11 SER D OG 1 +ATOM 3149 N N . VAL D 4 12 ? -25.902 33.478 11.848 1.00 46.70 ? 12 VAL D N 1 +ATOM 3150 C CA . VAL D 4 12 ? -26.770 34.042 12.877 1.00 47.37 ? 12 VAL D CA 1 +ATOM 3151 C C . VAL D 4 12 ? -27.580 35.180 12.261 1.00 49.24 ? 12 VAL D C 1 +ATOM 3152 O O . VAL D 4 12 ? -27.012 36.067 11.614 1.00 48.13 ? 12 VAL D O 1 +ATOM 3153 C CB . VAL D 4 12 ? -25.952 34.608 14.061 1.00 48.96 ? 12 VAL D CB 1 +ATOM 3154 C CG1 . VAL D 4 12 ? -25.476 33.489 14.965 1.00 50.82 ? 12 VAL D CG1 1 +ATOM 3155 C CG2 . VAL D 4 12 ? -24.759 35.405 13.545 1.00 51.19 ? 12 VAL D CG2 1 +ATOM 3156 N N . GLN D 4 13 ? -28.900 35.155 12.443 1.00 47.17 ? 13 GLN D N 1 +ATOM 3157 C CA . GLN D 4 13 ? -29.752 36.196 11.881 1.00 45.83 ? 13 GLN D CA 1 +ATOM 3158 C C . GLN D 4 13 ? -29.295 37.535 12.410 1.00 43.33 ? 13 GLN D C 1 +ATOM 3159 O O . GLN D 4 13 ? -28.715 37.611 13.486 1.00 46.92 ? 13 GLN D O 1 +ATOM 3160 C CB . GLN D 4 13 ? -31.223 35.972 12.254 1.00 50.54 ? 13 GLN D CB 1 +ATOM 3161 C CG . GLN D 4 13 ? -32.210 35.850 11.067 1.00 57.39 ? 13 GLN D CG 1 +ATOM 3162 C CD . GLN D 4 13 ? -31.578 36.125 9.711 1.00 58.85 ? 13 GLN D CD 1 +ATOM 3163 O OE1 . GLN D 4 13 ? -31.137 35.205 9.016 1.00 60.94 ? 13 GLN D OE1 1 +ATOM 3164 N NE2 . GLN D 4 13 ? -31.526 37.391 9.335 1.00 59.50 ? 13 GLN D NE2 1 +ATOM 3165 N N . GLU D 4 14 ? -29.522 38.587 11.641 1.00 45.13 ? 14 GLU D N 1 +ATOM 3166 C CA . GLU D 4 14 ? -29.130 39.913 12.080 1.00 47.90 ? 14 GLU D CA 1 +ATOM 3167 C C . GLU D 4 14 ? -29.845 40.269 13.369 1.00 47.02 ? 14 GLU D C 1 +ATOM 3168 O O . GLU D 4 14 ? -30.993 39.867 13.597 1.00 42.09 ? 14 GLU D O 1 +ATOM 3169 C CB . GLU D 4 14 ? -29.454 40.961 11.022 1.00 52.06 ? 14 GLU D CB 1 +ATOM 3170 C CG . GLU D 4 14 ? -28.963 42.349 11.407 1.00 57.28 ? 14 GLU D CG 1 +ATOM 3171 C CD . GLU D 4 14 ? -29.370 43.428 10.432 1.00 63.55 ? 14 GLU D CD 1 +ATOM 3172 O OE1 . GLU D 4 14 ? -29.831 43.110 9.307 1.00 66.86 ? 14 GLU D OE1 1 +ATOM 3173 O OE2 . GLU D 4 14 ? -29.216 44.612 10.804 1.00 69.38 ? 14 GLU D OE2 1 +ATOM 3174 N N . GLY D 4 15 ? -29.152 41.026 14.210 1.00 50.50 ? 15 GLY D N 1 +ATOM 3175 C CA . GLY D 4 15 ? -29.726 41.438 15.474 1.00 53.03 ? 15 GLY D CA 1 +ATOM 3176 C C . GLY D 4 15 ? -29.492 40.445 16.599 1.00 50.38 ? 15 GLY D C 1 +ATOM 3177 O O . GLY D 4 15 ? -29.488 40.821 17.770 1.00 50.02 ? 15 GLY D O 1 +ATOM 3178 N N . ARG D 4 16 ? -29.317 39.174 16.246 1.00 48.04 ? 16 ARG D N 1 +ATOM 3179 C CA . ARG D 4 16 ? -29.080 38.130 17.228 1.00 48.79 ? 16 ARG D CA 1 +ATOM 3180 C C . ARG D 4 16 ? -27.647 38.136 17.780 1.00 52.40 ? 16 ARG D C 1 +ATOM 3181 O O . ARG D 4 16 ? -26.853 39.045 17.502 1.00 54.56 ? 16 ARG D O 1 +ATOM 3182 C CB . ARG D 4 16 ? -29.435 36.776 16.647 1.00 44.11 ? 16 ARG D CB 1 +ATOM 3183 N N . ILE D 4 17 ? -27.345 37.133 18.601 1.00 52.87 ? 17 ILE D N 1 +ATOM 3184 C CA . ILE D 4 17 ? -26.043 36.995 19.243 1.00 49.07 ? 17 ILE D CA 1 +ATOM 3185 C C . ILE D 4 17 ? -25.201 35.926 18.562 1.00 46.94 ? 17 ILE D C 1 +ATOM 3186 O O . ILE D 4 17 ? -25.713 34.882 18.145 1.00 48.08 ? 17 ILE D O 1 +ATOM 3187 C CB . ILE D 4 17 ? -26.215 36.608 20.739 1.00 49.98 ? 17 ILE D CB 1 +ATOM 3188 C CG1 . ILE D 4 17 ? -24.874 36.663 21.460 1.00 46.88 ? 17 ILE D CG1 1 +ATOM 3189 C CG2 . ILE D 4 17 ? -26.802 35.190 20.864 1.00 52.95 ? 17 ILE D CG2 1 +ATOM 3190 C CD1 . ILE D 4 17 ? -24.968 36.408 22.941 1.00 45.43 ? 17 ILE D CD1 1 +ATOM 3191 N N . SER D 4 18 ? -23.910 36.197 18.442 1.00 47.82 ? 18 SER D N 1 +ATOM 3192 C CA . SER D 4 18 ? -22.991 35.249 17.840 1.00 48.99 ? 18 SER D CA 1 +ATOM 3193 C C . SER D 4 18 ? -21.872 34.975 18.839 1.00 47.77 ? 18 SER D C 1 +ATOM 3194 O O . SER D 4 18 ? -21.223 35.895 19.338 1.00 44.53 ? 18 SER D O 1 +ATOM 3195 C CB . SER D 4 18 ? -22.439 35.772 16.504 1.00 51.48 ? 18 SER D CB 1 +ATOM 3196 O OG . SER D 4 18 ? -22.745 37.144 16.279 1.00 58.78 ? 18 SER D OG 1 +ATOM 3197 N N . ILE D 4 19 ? -21.712 33.707 19.195 1.00 48.33 ? 19 ILE D N 1 +ATOM 3198 C CA . ILE D 4 19 ? -20.689 33.303 20.143 1.00 49.18 ? 19 ILE D CA 1 +ATOM 3199 C C . ILE D 4 19 ? -19.716 32.326 19.486 1.00 49.64 ? 19 ILE D C 1 +ATOM 3200 O O . ILE D 4 19 ? -20.114 31.242 19.040 1.00 48.35 ? 19 ILE D O 1 +ATOM 3201 C CB . ILE D 4 19 ? -21.342 32.659 21.383 1.00 50.57 ? 19 ILE D CB 1 +ATOM 3202 N N . LEU D 4 20 ? -18.452 32.731 19.400 1.00 45.13 ? 20 LEU D N 1 +ATOM 3203 C CA . LEU D 4 20 ? -17.402 31.898 18.828 1.00 45.55 ? 20 LEU D CA 1 +ATOM 3204 C C . LEU D 4 20 ? -16.535 31.373 20.003 1.00 47.98 ? 20 LEU D C 1 +ATOM 3205 O O . LEU D 4 20 ? -16.064 32.166 20.826 1.00 48.19 ? 20 LEU D O 1 +ATOM 3206 C CB . LEU D 4 20 ? -16.560 32.716 17.829 1.00 48.42 ? 20 LEU D CB 1 +ATOM 3207 N N . ASN D 4 21 ? -16.387 30.045 20.103 1.00 45.03 ? 21 ASN D N 1 +ATOM 3208 C CA . ASN D 4 21 ? -15.604 29.391 21.164 1.00 43.73 ? 21 ASN D CA 1 +ATOM 3209 C C . ASN D 4 21 ? -14.200 28.990 20.703 1.00 46.24 ? 21 ASN D C 1 +ATOM 3210 O O . ASN D 4 21 ? -13.971 28.797 19.505 1.00 52.08 ? 21 ASN D O 1 +ATOM 3211 C CB . ASN D 4 21 ? -16.304 28.122 21.662 1.00 42.22 ? 21 ASN D CB 1 +ATOM 3212 C CG . ASN D 4 21 ? -17.682 28.380 22.202 1.00 39.20 ? 21 ASN D CG 1 +ATOM 3213 O OD1 . ASN D 4 21 ? -17.859 28.653 23.385 1.00 44.04 ? 21 ASN D OD1 1 +ATOM 3214 N ND2 . ASN D 4 21 ? -18.677 28.247 21.348 1.00 40.61 ? 21 ASN D ND2 1 +ATOM 3215 N N . CYS D 4 22 ? -13.305 28.751 21.662 1.00 42.58 ? 22 CYS D N 1 +ATOM 3216 C CA . CYS D 4 22 ? -11.926 28.381 21.364 1.00 40.45 ? 22 CYS D CA 1 +ATOM 3217 C C . CYS D 4 22 ? -11.316 27.598 22.537 1.00 40.15 ? 22 CYS D C 1 +ATOM 3218 O O . CYS D 4 22 ? -11.718 27.775 23.688 1.00 41.58 ? 22 CYS D O 1 +ATOM 3219 C CB . CYS D 4 22 ? -11.129 29.663 21.106 1.00 40.59 ? 22 CYS D CB 1 +ATOM 3220 S SG . CYS D 4 22 ? -9.408 29.491 20.535 1.00 41.63 ? 22 CYS D SG 1 +ATOM 3221 N N . ASP D 4 23 ? -10.377 26.707 22.236 1.00 36.98 ? 23 ASP D N 1 +ATOM 3222 C CA . ASP D 4 23 ? -9.694 25.903 23.252 1.00 36.17 ? 23 ASP D CA 1 +ATOM 3223 C C . ASP D 4 23 ? -8.222 25.920 22.885 1.00 36.10 ? 23 ASP D C 1 +ATOM 3224 O O . ASP D 4 23 ? -7.885 26.190 21.734 1.00 36.36 ? 23 ASP D O 1 +ATOM 3225 C CB . ASP D 4 23 ? -10.182 24.450 23.250 1.00 38.04 ? 23 ASP D CB 1 +ATOM 3226 C CG . ASP D 4 23 ? -11.677 24.323 23.500 1.00 48.54 ? 23 ASP D CG 1 +ATOM 3227 O OD1 . ASP D 4 23 ? -12.227 25.064 24.352 1.00 48.42 ? 23 ASP D OD1 1 +ATOM 3228 O OD2 . ASP D 4 23 ? -12.292 23.459 22.840 1.00 48.41 ? 23 ASP D OD2 1 +ATOM 3229 N N . TYR D 4 24 ? -7.351 25.629 23.847 1.00 36.93 ? 24 TYR D N 1 +ATOM 3230 C CA . TYR D 4 24 ? -5.917 25.631 23.595 1.00 37.07 ? 24 TYR D CA 1 +ATOM 3231 C C . TYR D 4 24 ? -5.159 24.545 24.381 1.00 38.86 ? 24 TYR D C 1 +ATOM 3232 O O . TYR D 4 24 ? -5.743 23.858 25.221 1.00 34.79 ? 24 TYR D O 1 +ATOM 3233 C CB . TYR D 4 24 ? -5.352 27.034 23.853 1.00 33.29 ? 24 TYR D CB 1 +ATOM 3234 C CG . TYR D 4 24 ? -5.526 27.576 25.263 1.00 33.50 ? 24 TYR D CG 1 +ATOM 3235 C CD1 . TYR D 4 24 ? -4.546 27.362 26.228 1.00 38.86 ? 24 TYR D CD1 1 +ATOM 3236 C CD2 . TYR D 4 24 ? -6.615 28.367 25.611 1.00 32.44 ? 24 TYR D CD2 1 +ATOM 3237 C CE1 . TYR D 4 24 ? -4.635 27.925 27.506 1.00 40.53 ? 24 TYR D CE1 1 +ATOM 3238 C CE2 . TYR D 4 24 ? -6.715 28.942 26.898 1.00 36.30 ? 24 TYR D CE2 1 +ATOM 3239 C CZ . TYR D 4 24 ? -5.712 28.714 27.838 1.00 36.72 ? 24 TYR D CZ 1 +ATOM 3240 O OH . TYR D 4 24 ? -5.752 29.272 29.102 1.00 27.18 ? 24 TYR D OH 1 +ATOM 3241 N N . THR D 4 25 ? -3.874 24.364 24.079 1.00 41.43 ? 25 THR D N 1 +ATOM 3242 C CA . THR D 4 25 ? -3.072 23.351 24.761 1.00 42.61 ? 25 THR D CA 1 +ATOM 3243 C C . THR D 4 25 ? -2.043 23.827 25.790 1.00 42.12 ? 25 THR D C 1 +ATOM 3244 O O . THR D 4 25 ? -2.283 23.705 26.979 1.00 47.58 ? 25 THR D O 1 +ATOM 3245 C CB . THR D 4 25 ? -2.353 22.377 23.778 1.00 45.92 ? 25 THR D CB 1 +ATOM 3246 O OG1 . THR D 4 25 ? -1.320 23.068 23.048 1.00 48.46 ? 25 THR D OG1 1 +ATOM 3247 C CG2 . THR D 4 25 ? -3.346 21.749 22.821 1.00 46.54 ? 25 THR D CG2 1 +ATOM 3248 N N . ASN D 4 26 ? -0.917 24.391 25.358 1.00 40.32 ? 26 ASN D N 1 +ATOM 3249 C CA . ASN D 4 26 ? 0.117 24.771 26.320 1.00 46.31 ? 26 ASN D CA 1 +ATOM 3250 C C . ASN D 4 26 ? -0.244 25.766 27.419 1.00 51.01 ? 26 ASN D C 1 +ATOM 3251 O O . ASN D 4 26 ? -0.894 26.793 27.176 1.00 50.92 ? 26 ASN D O 1 +ATOM 3252 C CB . ASN D 4 26 ? 1.438 25.169 25.636 1.00 47.16 ? 26 ASN D CB 1 +ATOM 3253 C CG . ASN D 4 26 ? 1.359 26.493 24.920 1.00 46.97 ? 26 ASN D CG 1 +ATOM 3254 O OD1 . ASN D 4 26 ? 0.293 26.927 24.510 1.00 51.25 ? 26 ASN D OD1 1 +ATOM 3255 N ND2 . ASN D 4 26 ? 2.502 27.115 24.718 1.00 41.19 ? 26 ASN D ND2 1 +ATOM 3256 N N . SER D 4 27 ? 0.228 25.439 28.628 1.00 49.13 ? 27 SER D N 1 +ATOM 3257 C CA . SER D 4 27 ? 0.029 26.231 29.839 1.00 43.60 ? 27 SER D CA 1 +ATOM 3258 C C . SER D 4 27 ? 0.978 27.433 29.785 1.00 39.06 ? 27 SER D C 1 +ATOM 3259 O O . SER D 4 27 ? 0.952 28.319 30.642 1.00 38.88 ? 27 SER D O 1 +ATOM 3260 C CB . SER D 4 27 ? 0.346 25.354 31.062 1.00 49.19 ? 27 SER D CB 1 +ATOM 3261 O OG . SER D 4 27 ? -0.714 25.345 32.011 1.00 60.38 ? 27 SER D OG 1 +ATOM 3262 N N . MET D 4 28 ? 1.791 27.448 28.735 1.00 33.94 ? 28 MET D N 1 +ATOM 3263 C CA . MET D 4 28 ? 2.780 28.476 28.471 1.00 31.24 ? 28 MET D CA 1 +ATOM 3264 C C . MET D 4 28 ? 2.221 29.685 27.701 1.00 32.61 ? 28 MET D C 1 +ATOM 3265 O O . MET D 4 28 ? 2.972 30.623 27.408 1.00 34.87 ? 28 MET D O 1 +ATOM 3266 C CB . MET D 4 28 ? 3.916 27.848 27.681 1.00 31.44 ? 28 MET D CB 1 +ATOM 3267 C CG . MET D 4 28 ? 5.289 28.167 28.168 1.00 35.39 ? 28 MET D CG 1 +ATOM 3268 S SD . MET D 4 28 ? 6.469 27.178 27.243 1.00 44.85 ? 28 MET D SD 1 +ATOM 3269 C CE . MET D 4 28 ? 6.004 25.571 27.787 1.00 37.73 ? 28 MET D CE 1 +ATOM 3270 N N . PHE D 4 29 ? 0.934 29.652 27.335 1.00 33.55 ? 29 PHE D N 1 +ATOM 3271 C CA . PHE D 4 29 ? 0.297 30.782 26.634 1.00 34.48 ? 29 PHE D CA 1 +ATOM 3272 C C . PHE D 4 29 ? -0.037 31.825 27.702 1.00 36.28 ? 29 PHE D C 1 +ATOM 3273 O O . PHE D 4 29 ? -0.769 31.521 28.649 1.00 38.45 ? 29 PHE D O 1 +ATOM 3274 C CB . PHE D 4 29 ? -0.988 30.350 25.904 1.00 31.75 ? 29 PHE D CB 1 +ATOM 3275 C CG . PHE D 4 29 ? -0.759 29.795 24.517 1.00 30.09 ? 29 PHE D CG 1 +ATOM 3276 C CD1 . PHE D 4 29 ? 0.428 30.048 23.823 1.00 32.28 ? 29 PHE D CD1 1 +ATOM 3277 C CD2 . PHE D 4 29 ? -1.730 29.008 23.908 1.00 29.14 ? 29 PHE D CD2 1 +ATOM 3278 C CE1 . PHE D 4 29 ? 0.651 29.522 22.545 1.00 28.12 ? 29 PHE D CE1 1 +ATOM 3279 C CE2 . PHE D 4 29 ? -1.520 28.478 22.635 1.00 34.22 ? 29 PHE D CE2 1 +ATOM 3280 C CZ . PHE D 4 29 ? -0.319 28.739 21.952 1.00 31.41 ? 29 PHE D CZ 1 +ATOM 3281 N N . ASP D 4 30 ? 0.476 33.045 27.532 1.00 36.36 ? 30 ASP D N 1 +ATOM 3282 C CA . ASP D 4 30 ? 0.293 34.129 28.505 1.00 34.07 ? 30 ASP D CA 1 +ATOM 3283 C C . ASP D 4 30 ? -0.605 35.312 28.105 1.00 34.13 ? 30 ASP D C 1 +ATOM 3284 O O . ASP D 4 30 ? -0.921 36.173 28.944 1.00 28.06 ? 30 ASP D O 1 +ATOM 3285 C CB . ASP D 4 30 ? 1.676 34.661 28.919 1.00 39.03 ? 30 ASP D CB 1 +ATOM 3286 C CG . ASP D 4 30 ? 2.580 34.986 27.716 1.00 41.69 ? 30 ASP D CG 1 +ATOM 3287 O OD1 . ASP D 4 30 ? 2.072 35.241 26.607 1.00 41.54 ? 30 ASP D OD1 1 +ATOM 3288 O OD2 . ASP D 4 30 ? 3.816 34.988 27.882 1.00 43.10 ? 30 ASP D OD2 1 +ATOM 3289 N N . TYR D 4 31 ? -0.966 35.382 26.824 1.00 31.57 ? 31 TYR D N 1 +ATOM 3290 C CA . TYR D 4 31 ? -1.803 36.453 26.287 1.00 25.76 ? 31 TYR D CA 1 +ATOM 3291 C C . TYR D 4 31 ? -2.773 35.812 25.308 1.00 25.97 ? 31 TYR D C 1 +ATOM 3292 O O . TYR D 4 31 ? -2.398 34.892 24.589 1.00 30.78 ? 31 TYR D O 1 +ATOM 3293 C CB . TYR D 4 31 ? -0.932 37.477 25.561 1.00 26.47 ? 31 TYR D CB 1 +ATOM 3294 C CG . TYR D 4 31 ? -1.606 38.797 25.270 1.00 30.99 ? 31 TYR D CG 1 +ATOM 3295 C CD1 . TYR D 4 31 ? -2.781 39.166 25.925 1.00 35.08 ? 31 TYR D CD1 1 +ATOM 3296 C CD2 . TYR D 4 31 ? -1.059 39.689 24.352 1.00 25.20 ? 31 TYR D CD2 1 +ATOM 3297 C CE1 . TYR D 4 31 ? -3.393 40.389 25.673 1.00 33.40 ? 31 TYR D CE1 1 +ATOM 3298 C CE2 . TYR D 4 31 ? -1.665 40.916 24.093 1.00 32.97 ? 31 TYR D CE2 1 +ATOM 3299 C CZ . TYR D 4 31 ? -2.829 41.258 24.761 1.00 33.31 ? 31 TYR D CZ 1 +ATOM 3300 O OH . TYR D 4 31 ? -3.428 42.472 24.536 1.00 41.67 ? 31 TYR D OH 1 +ATOM 3301 N N . PHE D 4 32 ? -4.021 36.268 25.312 1.00 24.66 ? 32 PHE D N 1 +ATOM 3302 C CA . PHE D 4 32 ? -5.050 35.716 24.446 1.00 23.68 ? 32 PHE D CA 1 +ATOM 3303 C C . PHE D 4 32 ? -5.710 36.838 23.685 1.00 29.41 ? 32 PHE D C 1 +ATOM 3304 O O . PHE D 4 32 ? -5.952 37.924 24.230 1.00 29.04 ? 32 PHE D O 1 +ATOM 3305 C CB . PHE D 4 32 ? -6.058 34.944 25.277 1.00 22.23 ? 32 PHE D CB 1 +ATOM 3306 C CG . PHE D 4 32 ? -5.417 33.953 26.185 1.00 30.18 ? 32 PHE D CG 1 +ATOM 3307 C CD1 . PHE D 4 32 ? -4.971 34.337 27.451 1.00 30.95 ? 32 PHE D CD1 1 +ATOM 3308 C CD2 . PHE D 4 32 ? -5.170 32.661 25.752 1.00 30.07 ? 32 PHE D CD2 1 +ATOM 3309 C CE1 . PHE D 4 32 ? -4.293 33.452 28.267 1.00 25.75 ? 32 PHE D CE1 1 +ATOM 3310 C CE2 . PHE D 4 32 ? -4.493 31.769 26.558 1.00 30.10 ? 32 PHE D CE2 1 +ATOM 3311 C CZ . PHE D 4 32 ? -4.049 32.168 27.818 1.00 30.92 ? 32 PHE D CZ 1 +ATOM 3312 N N . LEU D 4 33 ? -5.973 36.584 22.407 1.00 30.16 ? 33 LEU D N 1 +ATOM 3313 C CA . LEU D 4 33 ? -6.550 37.602 21.555 1.00 26.47 ? 33 LEU D CA 1 +ATOM 3314 C C . LEU D 4 33 ? -7.345 37.051 20.371 1.00 24.50 ? 33 LEU D C 1 +ATOM 3315 O O . LEU D 4 33 ? -7.363 35.838 20.130 1.00 23.19 ? 33 LEU D O 1 +ATOM 3316 C CB . LEU D 4 33 ? -5.433 38.587 21.117 1.00 24.25 ? 33 LEU D CB 1 +ATOM 3317 C CG . LEU D 4 33 ? -4.052 38.214 20.512 1.00 21.29 ? 33 LEU D CG 1 +ATOM 3318 C CD1 . LEU D 4 33 ? -3.196 39.474 20.408 1.00 16.77 ? 33 LEU D CD1 1 +ATOM 3319 C CD2 . LEU D 4 33 ? -3.296 37.169 21.302 1.00 11.48 ? 33 LEU D CD2 1 +ATOM 3320 N N . TRP D 4 34 ? -8.086 37.934 19.711 1.00 22.59 ? 34 TRP D N 1 +ATOM 3321 C CA . TRP D 4 34 ? -8.890 37.562 18.556 1.00 24.80 ? 34 TRP D CA 1 +ATOM 3322 C C . TRP D 4 34 ? -8.631 38.457 17.357 1.00 24.81 ? 34 TRP D C 1 +ATOM 3323 O O . TRP D 4 34 ? -8.474 39.672 17.492 1.00 24.39 ? 34 TRP D O 1 +ATOM 3324 C CB . TRP D 4 34 ? -10.381 37.602 18.882 1.00 25.07 ? 34 TRP D CB 1 +ATOM 3325 C CG . TRP D 4 34 ? -10.874 36.469 19.741 1.00 30.59 ? 34 TRP D CG 1 +ATOM 3326 C CD1 . TRP D 4 34 ? -10.861 36.418 21.097 1.00 33.52 ? 34 TRP D CD1 1 +ATOM 3327 C CD2 . TRP D 4 34 ? -11.505 35.257 19.303 1.00 28.82 ? 34 TRP D CD2 1 +ATOM 3328 N NE1 . TRP D 4 34 ? -11.453 35.260 21.532 1.00 32.74 ? 34 TRP D NE1 1 +ATOM 3329 C CE2 . TRP D 4 34 ? -11.855 34.527 20.457 1.00 28.27 ? 34 TRP D CE2 1 +ATOM 3330 C CE3 . TRP D 4 34 ? -11.810 34.719 18.049 1.00 25.62 ? 34 TRP D CE3 1 +ATOM 3331 C CZ2 . TRP D 4 34 ? -12.496 33.283 20.396 1.00 31.95 ? 34 TRP D CZ2 1 +ATOM 3332 C CZ3 . TRP D 4 34 ? -12.449 33.476 17.991 1.00 26.55 ? 34 TRP D CZ3 1 +ATOM 3333 C CH2 . TRP D 4 34 ? -12.783 32.775 19.157 1.00 28.68 ? 34 TRP D CH2 1 +ATOM 3334 N N . TYR D 4 35 ? -8.598 37.838 16.182 1.00 29.09 ? 35 TYR D N 1 +ATOM 3335 C CA . TYR D 4 35 ? -8.390 38.522 14.909 1.00 26.46 ? 35 TYR D CA 1 +ATOM 3336 C C . TYR D 4 35 ? -9.596 38.257 14.022 1.00 26.80 ? 35 TYR D C 1 +ATOM 3337 O O . TYR D 4 35 ? -10.182 37.171 14.069 1.00 23.49 ? 35 TYR D O 1 +ATOM 3338 C CB . TYR D 4 35 ? -7.131 38.005 14.225 1.00 20.83 ? 35 TYR D CB 1 +ATOM 3339 C CG . TYR D 4 35 ? -5.878 38.735 14.639 1.00 25.12 ? 35 TYR D CG 1 +ATOM 3340 C CD1 . TYR D 4 35 ? -5.240 38.461 15.861 1.00 21.93 ? 35 TYR D CD1 1 +ATOM 3341 C CD2 . TYR D 4 35 ? -5.318 39.695 13.808 1.00 19.54 ? 35 TYR D CD2 1 +ATOM 3342 C CE1 . TYR D 4 35 ? -4.070 39.137 16.231 1.00 17.43 ? 35 TYR D CE1 1 +ATOM 3343 C CE2 . TYR D 4 35 ? -4.156 40.374 14.172 1.00 22.75 ? 35 TYR D CE2 1 +ATOM 3344 C CZ . TYR D 4 35 ? -3.541 40.091 15.375 1.00 19.83 ? 35 TYR D CZ 1 +ATOM 3345 O OH . TYR D 4 35 ? -2.405 40.777 15.700 1.00 18.77 ? 35 TYR D OH 1 +ATOM 3346 N N . LYS D 4 36 ? -9.978 39.269 13.252 1.00 25.54 ? 36 LYS D N 1 +ATOM 3347 C CA . LYS D 4 36 ? -11.113 39.211 12.327 1.00 29.40 ? 36 LYS D CA 1 +ATOM 3348 C C . LYS D 4 36 ? -10.497 39.356 10.937 1.00 32.68 ? 36 LYS D C 1 +ATOM 3349 O O . LYS D 4 36 ? -9.664 40.238 10.730 1.00 32.80 ? 36 LYS D O 1 +ATOM 3350 C CB . LYS D 4 36 ? -12.025 40.395 12.617 1.00 32.44 ? 36 LYS D CB 1 +ATOM 3351 C CG . LYS D 4 36 ? -13.193 40.625 11.689 1.00 28.83 ? 36 LYS D CG 1 +ATOM 3352 C CD . LYS D 4 36 ? -13.889 41.906 12.135 1.00 31.59 ? 36 LYS D CD 1 +ATOM 3353 C CE . LYS D 4 36 ? -15.211 42.103 11.440 1.00 44.52 ? 36 LYS D CE 1 +ATOM 3354 N NZ . LYS D 4 36 ? -16.139 42.962 12.231 1.00 49.20 ? 36 LYS D NZ 1 +ATOM 3355 N N . LYS D 4 37 ? -10.897 38.518 9.985 1.00 33.09 ? 37 LYS D N 1 +ATOM 3356 C CA . LYS D 4 37 ? -10.316 38.579 8.641 1.00 35.00 ? 37 LYS D CA 1 +ATOM 3357 C C . LYS D 4 37 ? -11.325 38.766 7.524 1.00 39.23 ? 37 LYS D C 1 +ATOM 3358 O O . LYS D 4 37 ? -12.230 37.947 7.373 1.00 44.97 ? 37 LYS D O 1 +ATOM 3359 C CB . LYS D 4 37 ? -9.536 37.301 8.370 1.00 33.45 ? 37 LYS D CB 1 +ATOM 3360 C CG . LYS D 4 37 ? -8.950 37.214 6.995 1.00 25.59 ? 37 LYS D CG 1 +ATOM 3361 C CD . LYS D 4 37 ? -8.500 35.804 6.718 1.00 29.09 ? 37 LYS D CD 1 +ATOM 3362 C CE . LYS D 4 37 ? -8.103 35.649 5.270 1.00 25.85 ? 37 LYS D CE 1 +ATOM 3363 N NZ . LYS D 4 37 ? -6.892 36.429 4.970 1.00 29.26 ? 37 LYS D NZ 1 +ATOM 3364 N N . TYR D 4 38 ? -11.178 39.829 6.736 1.00 41.54 ? 38 TYR D N 1 +ATOM 3365 C CA . TYR D 4 38 ? -12.095 40.058 5.617 1.00 45.76 ? 38 TYR D CA 1 +ATOM 3366 C C . TYR D 4 38 ? -11.510 39.400 4.366 1.00 43.78 ? 38 TYR D C 1 +ATOM 3367 O O . TYR D 4 38 ? -10.306 39.165 4.312 1.00 48.49 ? 38 TYR D O 1 +ATOM 3368 C CB . TYR D 4 38 ? -12.299 41.555 5.382 1.00 48.04 ? 38 TYR D CB 1 +ATOM 3369 C CG . TYR D 4 38 ? -13.349 42.193 6.263 1.00 53.28 ? 38 TYR D CG 1 +ATOM 3370 C CD1 . TYR D 4 38 ? -14.488 41.485 6.666 1.00 54.25 ? 38 TYR D CD1 1 +ATOM 3371 C CD2 . TYR D 4 38 ? -13.206 43.510 6.689 1.00 56.36 ? 38 TYR D CD2 1 +ATOM 3372 C CE1 . TYR D 4 38 ? -15.461 42.078 7.474 1.00 56.42 ? 38 TYR D CE1 1 +ATOM 3373 C CE2 . TYR D 4 38 ? -14.167 44.115 7.492 1.00 61.50 ? 38 TYR D CE2 1 +ATOM 3374 C CZ . TYR D 4 38 ? -15.293 43.396 7.885 1.00 60.90 ? 38 TYR D CZ 1 +ATOM 3375 O OH . TYR D 4 38 ? -16.227 44.012 8.693 1.00 60.49 ? 38 TYR D OH 1 +ATOM 3376 N N . PRO D 4 39 ? -12.345 39.073 3.360 1.00 43.05 ? 39 PRO D N 1 +ATOM 3377 C CA . PRO D 4 39 ? -11.873 38.435 2.119 1.00 41.67 ? 39 PRO D CA 1 +ATOM 3378 C C . PRO D 4 39 ? -10.893 39.322 1.355 1.00 38.90 ? 39 PRO D C 1 +ATOM 3379 O O . PRO D 4 39 ? -11.084 40.539 1.284 1.00 34.64 ? 39 PRO D O 1 +ATOM 3380 C CB . PRO D 4 39 ? -13.160 38.245 1.311 1.00 45.55 ? 39 PRO D CB 1 +ATOM 3381 C CG . PRO D 4 39 ? -14.231 38.160 2.352 1.00 45.60 ? 39 PRO D CG 1 +ATOM 3382 C CD . PRO D 4 39 ? -13.810 39.243 3.327 1.00 48.54 ? 39 PRO D CD 1 +ATOM 3383 N N . ALA D 4 40 ? -9.841 38.708 0.812 1.00 39.01 ? 40 ALA D N 1 +ATOM 3384 C CA . ALA D 4 40 ? -8.811 39.414 0.045 1.00 42.46 ? 40 ALA D CA 1 +ATOM 3385 C C . ALA D 4 40 ? -8.005 40.449 0.839 1.00 47.47 ? 40 ALA D C 1 +ATOM 3386 O O . ALA D 4 40 ? -7.362 41.331 0.250 1.00 47.81 ? 40 ALA D O 1 +ATOM 3387 C CB . ALA D 4 40 ? -9.417 40.062 -1.195 1.00 41.45 ? 40 ALA D CB 1 +ATOM 3388 N N . GLU D 4 41 ? -8.017 40.321 2.167 1.00 49.16 ? 41 GLU D N 1 +ATOM 3389 C CA . GLU D 4 41 ? -7.280 41.223 3.068 1.00 44.03 ? 41 GLU D CA 1 +ATOM 3390 C C . GLU D 4 41 ? -6.581 40.434 4.163 1.00 36.36 ? 41 GLU D C 1 +ATOM 3391 O O . GLU D 4 41 ? -6.912 39.269 4.410 1.00 31.40 ? 41 GLU D O 1 +ATOM 3392 C CB . GLU D 4 41 ? -8.218 42.194 3.772 1.00 44.22 ? 41 GLU D CB 1 +ATOM 3393 C CG . GLU D 4 41 ? -9.118 42.991 2.889 1.00 51.65 ? 41 GLU D CG 1 +ATOM 3394 C CD . GLU D 4 41 ? -9.967 43.944 3.687 1.00 56.85 ? 41 GLU D CD 1 +ATOM 3395 O OE1 . GLU D 4 41 ? -9.882 43.906 4.943 1.00 53.33 ? 41 GLU D OE1 1 +ATOM 3396 O OE2 . GLU D 4 41 ? -10.713 44.730 3.054 1.00 60.59 ? 41 GLU D OE2 1 +ATOM 3397 N N . GLY D 4 42 ? -5.666 41.100 4.862 1.00 34.52 ? 42 GLY D N 1 +ATOM 3398 C CA . GLY D 4 42 ? -4.953 40.450 5.948 1.00 35.54 ? 42 GLY D CA 1 +ATOM 3399 C C . GLY D 4 42 ? -5.734 40.504 7.247 1.00 36.85 ? 42 GLY D C 1 +ATOM 3400 O O . GLY D 4 42 ? -6.675 41.298 7.371 1.00 36.14 ? 42 GLY D O 1 +ATOM 3401 N N . PRO D 4 43 ? -5.439 39.609 8.202 1.00 39.05 ? 43 PRO D N 1 +ATOM 3402 C CA . PRO D 4 43 ? -6.141 39.598 9.493 1.00 41.62 ? 43 PRO D CA 1 +ATOM 3403 C C . PRO D 4 43 ? -5.962 40.908 10.314 1.00 41.91 ? 43 PRO D C 1 +ATOM 3404 O O . PRO D 4 43 ? -4.859 41.483 10.371 1.00 40.17 ? 43 PRO D O 1 +ATOM 3405 C CB . PRO D 4 43 ? -5.508 38.398 10.207 1.00 40.21 ? 43 PRO D CB 1 +ATOM 3406 C CG . PRO D 4 43 ? -5.211 37.459 9.084 1.00 40.81 ? 43 PRO D CG 1 +ATOM 3407 C CD . PRO D 4 43 ? -4.618 38.392 8.045 1.00 41.18 ? 43 PRO D CD 1 +ATOM 3408 N N . THR D 4 44 ? -7.053 41.360 10.941 1.00 40.72 ? 44 THR D N 1 +ATOM 3409 C CA . THR D 4 44 ? -7.073 42.574 11.769 1.00 38.07 ? 44 THR D CA 1 +ATOM 3410 C C . THR D 4 44 ? -7.254 42.210 13.248 1.00 33.46 ? 44 THR D C 1 +ATOM 3411 O O . THR D 4 44 ? -8.056 41.323 13.589 1.00 27.47 ? 44 THR D O 1 +ATOM 3412 C CB . THR D 4 44 ? -8.257 43.507 11.394 1.00 39.14 ? 44 THR D CB 1 +ATOM 3413 O OG1 . THR D 4 44 ? -8.322 43.658 9.973 1.00 47.78 ? 44 THR D OG1 1 +ATOM 3414 C CG2 . THR D 4 44 ? -8.085 44.886 12.021 1.00 36.39 ? 44 THR D CG2 1 +ATOM 3415 N N . PHE D 4 45 ? -6.493 42.886 14.109 1.00 29.78 ? 45 PHE D N 1 +ATOM 3416 C CA . PHE D 4 45 ? -6.574 42.682 15.545 1.00 28.55 ? 45 PHE D CA 1 +ATOM 3417 C C . PHE D 4 45 ? -7.983 43.094 15.923 1.00 28.61 ? 45 PHE D C 1 +ATOM 3418 O O . PHE D 4 45 ? -8.428 44.177 15.544 1.00 31.51 ? 45 PHE D O 1 +ATOM 3419 C CB . PHE D 4 45 ? -5.556 43.563 16.274 1.00 36.06 ? 45 PHE D CB 1 +ATOM 3420 C CG . PHE D 4 45 ? -5.712 43.553 17.772 1.00 43.38 ? 45 PHE D CG 1 +ATOM 3421 C CD1 . PHE D 4 45 ? -5.637 42.355 18.485 1.00 43.83 ? 45 PHE D CD1 1 +ATOM 3422 C CD2 . PHE D 4 45 ? -6.001 44.727 18.464 1.00 42.97 ? 45 PHE D CD2 1 +ATOM 3423 C CE1 . PHE D 4 45 ? -5.852 42.328 19.860 1.00 43.74 ? 45 PHE D CE1 1 +ATOM 3424 C CE2 . PHE D 4 45 ? -6.217 44.707 19.835 1.00 43.44 ? 45 PHE D CE2 1 +ATOM 3425 C CZ . PHE D 4 45 ? -6.144 43.504 20.534 1.00 40.13 ? 45 PHE D CZ 1 +ATOM 3426 N N . LEU D 4 46 ? -8.662 42.252 16.694 1.00 28.90 ? 46 LEU D N 1 +ATOM 3427 C CA . LEU D 4 46 ? -10.045 42.502 17.089 1.00 33.46 ? 46 LEU D CA 1 +ATOM 3428 C C . LEU D 4 46 ? -10.283 42.798 18.589 1.00 37.82 ? 46 LEU D C 1 +ATOM 3429 O O . LEU D 4 46 ? -11.105 43.662 18.929 1.00 40.74 ? 46 LEU D O 1 +ATOM 3430 C CB . LEU D 4 46 ? -10.885 41.304 16.631 1.00 28.93 ? 46 LEU D CB 1 +ATOM 3431 C CG . LEU D 4 46 ? -12.415 41.226 16.633 1.00 32.85 ? 46 LEU D CG 1 +ATOM 3432 C CD1 . LEU D 4 46 ? -12.910 40.394 17.796 1.00 29.34 ? 46 LEU D CD1 1 +ATOM 3433 C CD2 . LEU D 4 46 ? -13.032 42.608 16.609 1.00 37.94 ? 46 LEU D CD2 1 +ATOM 3434 N N . ILE D 4 47 ? -9.553 42.118 19.478 1.00 38.07 ? 47 ILE D N 1 +ATOM 3435 C CA . ILE D 4 47 ? -9.738 42.292 20.924 1.00 34.72 ? 47 ILE D CA 1 +ATOM 3436 C C . ILE D 4 47 ? -8.822 41.334 21.704 1.00 38.26 ? 47 ILE D C 1 +ATOM 3437 O O . ILE D 4 47 ? -8.484 40.264 21.196 1.00 41.19 ? 47 ILE D O 1 +ATOM 3438 C CB . ILE D 4 47 ? -11.222 42.013 21.287 1.00 28.69 ? 47 ILE D CB 1 +ATOM 3439 C CG1 . ILE D 4 47 ? -11.570 42.556 22.668 1.00 21.46 ? 47 ILE D CG1 1 +ATOM 3440 C CG2 . ILE D 4 47 ? -11.527 40.533 21.170 1.00 33.16 ? 47 ILE D CG2 1 +ATOM 3441 C CD1 . ILE D 4 47 ? -13.037 42.468 22.975 1.00 14.19 ? 47 ILE D CD1 1 +ATOM 3442 N N . SER D 4 48 ? -8.409 41.717 22.918 1.00 42.79 ? 48 SER D N 1 +ATOM 3443 C CA . SER D 4 48 ? -7.534 40.864 23.740 1.00 37.54 ? 48 SER D CA 1 +ATOM 3444 C C . SER D 4 48 ? -8.050 40.608 25.162 1.00 35.03 ? 48 SER D C 1 +ATOM 3445 O O . SER D 4 48 ? -9.114 41.089 25.547 1.00 32.98 ? 48 SER D O 1 +ATOM 3446 C CB . SER D 4 48 ? -6.112 41.437 23.788 1.00 37.05 ? 48 SER D CB 1 +ATOM 3447 O OG . SER D 4 48 ? -6.077 42.738 24.357 1.00 39.12 ? 48 SER D OG 1 +ATOM 3448 N N . ILE D 4 49 ? -7.312 39.794 25.913 1.00 36.68 ? 49 ILE D N 1 +ATOM 3449 C CA . ILE D 4 49 ? -7.657 39.459 27.293 1.00 26.66 ? 49 ILE D CA 1 +ATOM 3450 C C . ILE D 4 49 ? -6.398 38.958 28.013 1.00 34.13 ? 49 ILE D C 1 +ATOM 3451 O O . ILE D 4 49 ? -5.661 38.103 27.485 1.00 28.15 ? 49 ILE D O 1 +ATOM 3452 C CB . ILE D 4 49 ? -8.818 38.410 27.356 1.00 18.57 ? 49 ILE D CB 1 +ATOM 3453 C CG1 . ILE D 4 49 ? -9.469 38.435 28.734 1.00 27.40 ? 49 ILE D CG1 1 +ATOM 3454 C CG2 . ILE D 4 49 ? -8.335 37.007 27.060 1.00 8.92 ? 49 ILE D CG2 1 +ATOM 3455 C CD1 . ILE D 4 49 ? -10.729 37.599 28.832 1.00 35.45 ? 49 ILE D CD1 1 +ATOM 3456 N N . SER D 4 50 ? -6.107 39.557 29.175 1.00 40.43 ? 50 SER D N 1 +ATOM 3457 C CA . SER D 4 50 ? -4.937 39.190 29.967 1.00 36.42 ? 50 SER D CA 1 +ATOM 3458 C C . SER D 4 50 ? -5.129 37.876 30.651 1.00 39.31 ? 50 SER D C 1 +ATOM 3459 O O . SER D 4 50 ? -6.240 37.528 31.024 1.00 40.37 ? 50 SER D O 1 +ATOM 3460 C CB . SER D 4 50 ? -4.629 40.241 31.014 1.00 36.92 ? 50 SER D CB 1 +ATOM 3461 O OG . SER D 4 50 ? -3.443 40.925 30.648 1.00 44.20 ? 50 SER D OG 1 +ATOM 3462 N N . SER D 4 51 ? -4.029 37.179 30.884 1.00 43.87 ? 51 SER D N 1 +ATOM 3463 C CA . SER D 4 51 ? -4.077 35.874 31.530 1.00 51.38 ? 51 SER D CA 1 +ATOM 3464 C C . SER D 4 51 ? -4.870 35.818 32.845 1.00 52.50 ? 51 SER D C 1 +ATOM 3465 O O . SER D 4 51 ? -5.413 34.779 33.190 1.00 54.53 ? 51 SER D O 1 +ATOM 3466 C CB . SER D 4 51 ? -2.652 35.326 31.747 1.00 54.43 ? 51 SER D CB 1 +ATOM 3467 O OG . SER D 4 51 ? -1.846 36.184 32.547 1.00 62.01 ? 51 SER D OG 1 +ATOM 3468 N N . ILE D 4 52 ? -5.024 36.945 33.529 1.00 49.90 ? 52 ILE D N 1 +ATOM 3469 C CA . ILE D 4 52 ? -5.721 36.927 34.818 1.00 46.59 ? 52 ILE D CA 1 +ATOM 3470 C C . ILE D 4 52 ? -7.191 37.305 34.861 1.00 47.95 ? 52 ILE D C 1 +ATOM 3471 O O . ILE D 4 52 ? -7.896 36.936 35.802 1.00 51.34 ? 52 ILE D O 1 +ATOM 3472 C CB . ILE D 4 52 ? -4.979 37.771 35.851 1.00 39.86 ? 52 ILE D CB 1 +ATOM 3473 C CG1 . ILE D 4 52 ? -4.813 39.191 35.311 1.00 39.44 ? 52 ILE D CG1 1 +ATOM 3474 C CG2 . ILE D 4 52 ? -3.650 37.110 36.205 1.00 33.47 ? 52 ILE D CG2 1 +ATOM 3475 C CD1 . ILE D 4 52 ? -4.145 40.151 36.251 1.00 36.84 ? 52 ILE D CD1 1 +ATOM 3476 N N . LYS D 4 53 ? -7.647 38.061 33.871 1.00 48.96 ? 53 LYS D N 1 +ATOM 3477 C CA . LYS D 4 53 ? -9.039 38.485 33.831 1.00 48.96 ? 53 LYS D CA 1 +ATOM 3478 C C . LYS D 4 53 ? -9.951 37.374 33.343 1.00 49.42 ? 53 LYS D C 1 +ATOM 3479 O O . LYS D 4 53 ? -9.487 36.342 32.865 1.00 50.31 ? 53 LYS D O 1 +ATOM 3480 C CB . LYS D 4 53 ? -9.188 39.711 32.962 1.00 49.40 ? 53 LYS D CB 1 +ATOM 3481 N N . ASP D 4 54 ? -11.247 37.547 33.563 1.00 50.85 ? 54 ASP D N 1 +ATOM 3482 C CA . ASP D 4 54 ? -12.205 36.560 33.111 1.00 52.70 ? 54 ASP D CA 1 +ATOM 3483 C C . ASP D 4 54 ? -12.947 37.037 31.868 1.00 53.84 ? 54 ASP D C 1 +ATOM 3484 O O . ASP D 4 54 ? -13.073 36.300 30.893 1.00 56.20 ? 54 ASP D O 1 +ATOM 3485 C CB . ASP D 4 54 ? -13.172 36.206 34.233 1.00 61.51 ? 54 ASP D CB 1 +ATOM 3486 C CG . ASP D 4 54 ? -12.569 35.228 35.230 1.00 70.73 ? 54 ASP D CG 1 +ATOM 3487 O OD1 . ASP D 4 54 ? -12.278 34.080 34.834 1.00 74.85 ? 54 ASP D OD1 1 +ATOM 3488 O OD2 . ASP D 4 54 ? -12.380 35.596 36.412 1.00 77.11 ? 54 ASP D OD2 1 +ATOM 3489 N N . LYS D 4 55 A -13.434 38.269 31.897 1.00 48.71 ? 54 LYS D N 1 +ATOM 3490 C CA . LYS D 4 55 A -14.139 38.813 30.752 1.00 44.59 ? 54 LYS D CA 1 +ATOM 3491 C C . LYS D 4 55 A -13.515 40.149 30.351 1.00 46.70 ? 54 LYS D C 1 +ATOM 3492 O O . LYS D 4 55 A -12.800 40.767 31.140 1.00 47.77 ? 54 LYS D O 1 +ATOM 3493 C CB . LYS D 4 55 A -15.613 38.992 31.079 1.00 41.68 ? 54 LYS D CB 1 +ATOM 3494 N N . ASN D 4 56 ? -13.714 40.540 29.097 1.00 46.28 ? 55 ASN D N 1 +ATOM 3495 C CA . ASN D 4 56 ? -13.222 41.813 28.587 1.00 45.23 ? 55 ASN D CA 1 +ATOM 3496 C C . ASN D 4 56 ? -14.121 42.257 27.442 1.00 48.80 ? 55 ASN D C 1 +ATOM 3497 O O . ASN D 4 56 ? -14.509 41.445 26.606 1.00 46.59 ? 55 ASN D O 1 +ATOM 3498 C CB . ASN D 4 56 ? -11.787 41.720 28.093 1.00 43.35 ? 55 ASN D CB 1 +ATOM 3499 C CG . ASN D 4 56 ? -11.258 43.066 27.640 1.00 42.02 ? 55 ASN D CG 1 +ATOM 3500 O OD1 . ASN D 4 56 ? -10.463 43.157 26.719 1.00 45.68 ? 55 ASN D OD1 1 +ATOM 3501 N ND2 . ASN D 4 56 ? -11.712 44.127 28.291 1.00 41.91 ? 55 ASN D ND2 1 +ATOM 3502 N N . ALA D 4 57 ? -14.412 43.549 27.357 1.00 51.40 ? 56 ALA D N 1 +ATOM 3503 C CA . ALA D 4 57 ? -15.310 43.998 26.304 1.00 57.69 ? 56 ALA D CA 1 +ATOM 3504 C C . ALA D 4 57 ? -15.094 45.384 25.708 1.00 60.49 ? 56 ALA D C 1 +ATOM 3505 O O . ALA D 4 57 ? -14.974 46.371 26.436 1.00 62.33 ? 56 ALA D O 1 +ATOM 3506 C CB . ALA D 4 57 ? -16.756 43.863 26.786 1.00 54.86 ? 56 ALA D CB 1 +ATOM 3507 N N . ASP D 4 58 ? -14.970 45.434 24.384 1.00 63.97 ? 57 ASP D N 1 +ATOM 3508 C CA . ASP D 4 58 ? -14.849 46.694 23.663 1.00 70.20 ? 57 ASP D CA 1 +ATOM 3509 C C . ASP D 4 58 ? -16.081 46.708 22.762 1.00 70.91 ? 57 ASP D C 1 +ATOM 3510 O O . ASP D 4 58 ? -16.219 45.866 21.871 1.00 73.30 ? 57 ASP D O 1 +ATOM 3511 C CB . ASP D 4 58 ? -13.560 46.784 22.818 1.00 80.39 ? 57 ASP D CB 1 +ATOM 3512 C CG . ASP D 4 58 ? -13.398 48.155 22.106 1.00 87.15 ? 57 ASP D CG 1 +ATOM 3513 O OD1 . ASP D 4 58 ? -14.375 48.953 22.066 1.00 89.92 ? 57 ASP D OD1 1 +ATOM 3514 O OD2 . ASP D 4 58 ? -12.284 48.446 21.576 1.00 88.97 ? 57 ASP D OD2 1 +ATOM 3515 N N . GLY D 4 59 ? -17.011 47.602 23.086 1.00 69.23 ? 58 GLY D N 1 +ATOM 3516 C CA . GLY D 4 59 ? -18.247 47.782 22.336 1.00 68.92 ? 58 GLY D CA 1 +ATOM 3517 C C . GLY D 4 59 ? -18.739 46.703 21.387 1.00 66.79 ? 58 GLY D C 1 +ATOM 3518 O O . GLY D 4 59 ? -18.355 46.686 20.207 1.00 66.14 ? 58 GLY D O 1 +ATOM 3519 N N . ARG D 4 60 ? -19.636 45.860 21.901 1.00 61.06 ? 61 ARG D N 1 +ATOM 3520 C CA . ARG D 4 60 ? -20.257 44.753 21.167 1.00 57.51 ? 61 ARG D CA 1 +ATOM 3521 C C . ARG D 4 60 ? -19.472 43.455 21.280 1.00 55.42 ? 61 ARG D C 1 +ATOM 3522 O O . ARG D 4 60 ? -20.035 42.369 21.147 1.00 54.27 ? 61 ARG D O 1 +ATOM 3523 C CB . ARG D 4 60 ? -20.501 45.102 19.684 1.00 57.09 ? 61 ARG D CB 1 +ATOM 3524 C CG . ARG D 4 60 ? -21.948 45.431 19.335 1.00 56.36 ? 61 ARG D CG 1 +ATOM 3525 C CD . ARG D 4 60 ? -22.109 45.982 17.926 1.00 60.27 ? 61 ARG D CD 1 +ATOM 3526 N NE . ARG D 4 60 ? -21.585 45.095 16.885 1.00 67.61 ? 61 ARG D NE 1 +ATOM 3527 C CZ . ARG D 4 60 ? -20.894 45.517 15.827 1.00 70.60 ? 61 ARG D CZ 1 +ATOM 3528 N NH1 . ARG D 4 60 ? -20.640 46.811 15.663 1.00 75.51 ? 61 ARG D NH1 1 +ATOM 3529 N NH2 . ARG D 4 60 ? -20.433 44.647 14.940 1.00 69.90 ? 61 ARG D NH2 1 +ATOM 3530 N N . PHE D 4 61 ? -18.173 43.563 21.525 1.00 53.90 ? 62 PHE D N 1 +ATOM 3531 C CA . PHE D 4 61 ? -17.336 42.380 21.643 1.00 55.30 ? 62 PHE D CA 1 +ATOM 3532 C C . PHE D 4 61 ? -16.995 42.113 23.086 1.00 53.84 ? 62 PHE D C 1 +ATOM 3533 O O . PHE D 4 61 ? -16.602 43.018 23.824 1.00 56.69 ? 62 PHE D O 1 +ATOM 3534 C CB . PHE D 4 61 ? -16.058 42.540 20.806 1.00 56.98 ? 62 PHE D CB 1 +ATOM 3535 C CG . PHE D 4 61 ? -16.333 42.819 19.360 1.00 53.84 ? 62 PHE D CG 1 +ATOM 3536 C CD1 . PHE D 4 61 ? -16.703 41.784 18.500 1.00 52.36 ? 62 PHE D CD1 1 +ATOM 3537 C CD2 . PHE D 4 61 ? -16.326 44.121 18.884 1.00 51.69 ? 62 PHE D CD2 1 +ATOM 3538 C CE1 . PHE D 4 61 ? -17.075 42.038 17.200 1.00 48.89 ? 62 PHE D CE1 1 +ATOM 3539 C CE2 . PHE D 4 61 ? -16.698 44.388 17.585 1.00 54.05 ? 62 PHE D CE2 1 +ATOM 3540 C CZ . PHE D 4 61 ? -17.077 43.341 16.737 1.00 53.46 ? 62 PHE D CZ 1 +ATOM 3541 N N . THR D 4 62 ? -17.161 40.868 23.494 1.00 50.06 ? 63 THR D N 1 +ATOM 3542 C CA . THR D 4 62 ? -16.862 40.499 24.860 1.00 45.79 ? 63 THR D CA 1 +ATOM 3543 C C . THR D 4 62 ? -16.072 39.210 24.790 1.00 43.70 ? 63 THR D C 1 +ATOM 3544 O O . THR D 4 62 ? -16.504 38.252 24.137 1.00 45.85 ? 63 THR D O 1 +ATOM 3545 C CB . THR D 4 62 ? -18.151 40.240 25.645 1.00 48.12 ? 63 THR D CB 1 +ATOM 3546 O OG1 . THR D 4 62 ? -19.143 41.226 25.308 1.00 50.07 ? 63 THR D OG1 1 +ATOM 3547 C CG2 . THR D 4 62 ? -17.866 40.286 27.117 1.00 44.35 ? 63 THR D CG2 1 +ATOM 3548 N N . VAL D 4 63 ? -14.896 39.190 25.405 1.00 42.94 ? 64 VAL D N 1 +ATOM 3549 C CA . VAL D 4 63 ? -14.068 37.995 25.407 1.00 43.28 ? 64 VAL D CA 1 +ATOM 3550 C C . VAL D 4 63 ? -14.117 37.331 26.770 1.00 43.99 ? 64 VAL D C 1 +ATOM 3551 O O . VAL D 4 63 ? -14.091 38.000 27.802 1.00 43.37 ? 64 VAL D O 1 +ATOM 3552 C CB . VAL D 4 63 ? -12.607 38.290 25.093 1.00 38.63 ? 64 VAL D CB 1 +ATOM 3553 C CG1 . VAL D 4 63 ? -11.884 36.991 24.789 1.00 38.23 ? 64 VAL D CG1 1 +ATOM 3554 C CG2 . VAL D 4 63 ? -12.506 39.222 23.941 1.00 43.10 ? 64 VAL D CG2 1 +ATOM 3555 N N . PHE D 4 64 ? -14.186 36.010 26.768 1.00 45.43 ? 65 PHE D N 1 +ATOM 3556 C CA . PHE D 4 64 ? -14.240 35.261 27.998 1.00 47.05 ? 65 PHE D CA 1 +ATOM 3557 C C . PHE D 4 64 ? -13.121 34.247 28.048 1.00 48.57 ? 65 PHE D C 1 +ATOM 3558 O O . PHE D 4 64 ? -12.927 33.470 27.103 1.00 49.54 ? 65 PHE D O 1 +ATOM 3559 C CB . PHE D 4 64 ? -15.596 34.572 28.127 1.00 52.96 ? 65 PHE D CB 1 +ATOM 3560 C CG . PHE D 4 64 ? -16.755 35.532 28.181 1.00 59.30 ? 65 PHE D CG 1 +ATOM 3561 C CD1 . PHE D 4 64 ? -17.046 36.224 29.354 1.00 60.65 ? 65 PHE D CD1 1 +ATOM 3562 C CD2 . PHE D 4 64 ? -17.540 35.768 27.050 1.00 59.42 ? 65 PHE D CD2 1 +ATOM 3563 C CE1 . PHE D 4 64 ? -18.103 37.139 29.398 1.00 62.89 ? 65 PHE D CE1 1 +ATOM 3564 C CE2 . PHE D 4 64 ? -18.600 36.682 27.085 1.00 55.18 ? 65 PHE D CE2 1 +ATOM 3565 C CZ . PHE D 4 64 ? -18.880 37.366 28.256 1.00 59.78 ? 65 PHE D CZ 1 +ATOM 3566 N N . LEU D 4 65 ? -12.331 34.336 29.114 1.00 44.66 ? 66 LEU D N 1 +ATOM 3567 C CA . LEU D 4 65 ? -11.223 33.420 29.360 1.00 39.85 ? 66 LEU D CA 1 +ATOM 3568 C C . LEU D 4 65 ? -11.655 32.560 30.542 1.00 41.62 ? 66 LEU D C 1 +ATOM 3569 O O . LEU D 4 65 ? -12.425 32.996 31.395 1.00 44.17 ? 66 LEU D O 1 +ATOM 3570 C CB . LEU D 4 65 ? -9.931 34.183 29.705 1.00 28.23 ? 66 LEU D CB 1 +ATOM 3571 C CG . LEU D 4 65 ? -8.673 33.354 29.964 1.00 23.66 ? 66 LEU D CG 1 +ATOM 3572 C CD1 . LEU D 4 65 ? -8.464 32.370 28.828 1.00 29.91 ? 66 LEU D CD1 1 +ATOM 3573 C CD2 . LEU D 4 65 ? -7.465 34.246 30.134 1.00 18.40 ? 66 LEU D CD2 1 +ATOM 3574 N N . ASN D 4 66 ? -11.202 31.318 30.547 1.00 41.22 ? 67 ASN D N 1 +ATOM 3575 C CA . ASN D 4 66 ? -11.525 30.381 31.604 1.00 38.15 ? 67 ASN D CA 1 +ATOM 3576 C C . ASN D 4 66 ? -10.382 29.409 31.599 1.00 37.79 ? 67 ASN D C 1 +ATOM 3577 O O . ASN D 4 66 ? -10.488 28.303 31.070 1.00 39.32 ? 67 ASN D O 1 +ATOM 3578 C CB . ASN D 4 66 ? -12.836 29.665 31.267 1.00 43.92 ? 67 ASN D CB 1 +ATOM 3579 C CG . ASN D 4 66 ? -13.246 28.665 32.328 1.00 50.58 ? 67 ASN D CG 1 +ATOM 3580 O OD1 . ASN D 4 66 ? -13.825 29.021 33.347 1.00 58.70 ? 67 ASN D OD1 1 +ATOM 3581 N ND2 . ASN D 4 66 ? -12.969 27.402 32.079 1.00 55.99 ? 67 ASN D ND2 1 +ATOM 3582 N N . LYS D 4 67 ? -9.259 29.870 32.132 1.00 40.79 ? 68 LYS D N 1 +ATOM 3583 C CA . LYS D 4 67 ? -8.030 29.093 32.173 1.00 45.94 ? 68 LYS D CA 1 +ATOM 3584 C C . LYS D 4 67 ? -8.162 27.679 32.713 1.00 49.81 ? 68 LYS D C 1 +ATOM 3585 O O . LYS D 4 67 ? -7.409 26.790 32.308 1.00 51.71 ? 68 LYS D O 1 +ATOM 3586 C CB . LYS D 4 67 ? -6.970 29.831 32.970 1.00 43.21 ? 68 LYS D CB 1 +ATOM 3587 C CG . LYS D 4 67 ? -6.915 31.310 32.614 1.00 49.16 ? 68 LYS D CG 1 +ATOM 3588 C CD . LYS D 4 67 ? -5.973 32.067 33.566 1.00 55.31 ? 68 LYS D CD 1 +ATOM 3589 C CE . LYS D 4 67 ? -4.507 32.014 33.090 1.00 62.17 ? 68 LYS D CE 1 +ATOM 3590 N NZ . LYS D 4 67 ? -3.603 32.828 34.012 1.00 64.45 ? 68 LYS D NZ 1 +ATOM 3591 N N . SER D 4 68 ? -9.068 27.486 33.661 1.00 51.57 ? 69 SER D N 1 +ATOM 3592 C CA . SER D 4 68 ? -9.249 26.157 34.219 1.00 55.27 ? 69 SER D CA 1 +ATOM 3593 C C . SER D 4 68 ? -9.580 25.176 33.118 1.00 56.52 ? 69 SER D C 1 +ATOM 3594 O O . SER D 4 68 ? -9.115 24.039 33.134 1.00 57.97 ? 69 SER D O 1 +ATOM 3595 C CB . SER D 4 68 ? -10.342 26.136 35.281 1.00 62.30 ? 69 SER D CB 1 +ATOM 3596 O OG . SER D 4 68 ? -9.771 25.888 36.551 1.00 77.25 ? 69 SER D OG 1 +ATOM 3597 N N . ALA D 4 69 ? -10.401 25.626 32.170 1.00 60.24 ? 70 ALA D N 1 +ATOM 3598 C CA . ALA D 4 69 ? -10.792 24.793 31.034 1.00 59.86 ? 70 ALA D CA 1 +ATOM 3599 C C . ALA D 4 69 ? -9.972 25.081 29.780 1.00 57.38 ? 70 ALA D C 1 +ATOM 3600 O O . ALA D 4 69 ? -10.166 24.432 28.758 1.00 63.83 ? 70 ALA D O 1 +ATOM 3601 C CB . ALA D 4 69 ? -12.287 24.937 30.738 1.00 62.96 ? 70 ALA D CB 1 +ATOM 3602 N N . LYS D 4 70 ? -9.070 26.059 29.842 1.00 50.02 ? 71 LYS D N 1 +ATOM 3603 C CA . LYS D 4 70 ? -8.243 26.405 28.681 1.00 50.29 ? 71 LYS D CA 1 +ATOM 3604 C C . LYS D 4 70 ? -9.179 26.630 27.484 1.00 52.35 ? 71 LYS D C 1 +ATOM 3605 O O . LYS D 4 70 ? -9.034 26.011 26.423 1.00 51.55 ? 71 LYS D O 1 +ATOM 3606 C CB . LYS D 4 70 ? -7.236 25.287 28.381 1.00 46.85 ? 71 LYS D CB 1 +ATOM 3607 N N . HIS D 4 71 ? -10.139 27.533 27.674 1.00 51.95 ? 72 HIS D N 1 +ATOM 3608 C CA . HIS D 4 71 ? -11.134 27.847 26.664 1.00 49.52 ? 72 HIS D CA 1 +ATOM 3609 C C . HIS D 4 71 ? -11.383 29.350 26.638 1.00 48.87 ? 72 HIS D C 1 +ATOM 3610 O O . HIS D 4 71 ? -11.594 29.959 27.680 1.00 47.59 ? 72 HIS D O 1 +ATOM 3611 C CB . HIS D 4 71 ? -12.419 27.059 26.981 1.00 52.82 ? 72 HIS D CB 1 +ATOM 3612 C CG . HIS D 4 71 ? -13.679 27.615 26.389 1.00 57.95 ? 72 HIS D CG 1 +ATOM 3613 N ND1 . HIS D 4 71 ? -14.214 28.823 26.751 1.00 63.23 ? 72 HIS D ND1 1 +ATOM 3614 C CD2 . HIS D 4 71 ? -14.550 27.065 25.509 1.00 59.03 ? 72 HIS D CD2 1 +ATOM 3615 C CE1 . HIS D 4 71 ? -15.373 29.019 26.126 1.00 60.77 ? 72 HIS D CE1 1 +ATOM 3616 N NE2 . HIS D 4 71 ? -15.595 27.956 25.366 1.00 62.56 ? 72 HIS D NE2 1 +ATOM 3617 N N . LEU D 4 72 ? -11.326 29.930 25.444 1.00 49.06 ? 73 LEU D N 1 +ATOM 3618 C CA . LEU D 4 72 ? -11.555 31.357 25.247 1.00 44.43 ? 73 LEU D CA 1 +ATOM 3619 C C . LEU D 4 72 ? -12.797 31.519 24.367 1.00 43.11 ? 73 LEU D C 1 +ATOM 3620 O O . LEU D 4 72 ? -13.129 30.625 23.585 1.00 39.92 ? 73 LEU D O 1 +ATOM 3621 C CB . LEU D 4 72 ? -10.341 31.989 24.577 1.00 42.01 ? 73 LEU D CB 1 +ATOM 3622 C CG . LEU D 4 72 ? -10.233 33.510 24.572 1.00 44.81 ? 73 LEU D CG 1 +ATOM 3623 C CD1 . LEU D 4 72 ? -10.012 34.035 25.965 1.00 45.77 ? 73 LEU D CD1 1 +ATOM 3624 C CD2 . LEU D 4 72 ? -9.079 33.904 23.693 1.00 53.55 ? 73 LEU D CD2 1 +ATOM 3625 N N . SER D 4 73 ? -13.485 32.648 24.487 1.00 40.95 ? 74 SER D N 1 +ATOM 3626 C CA . SER D 4 73 ? -14.684 32.867 23.700 1.00 35.24 ? 74 SER D CA 1 +ATOM 3627 C C . SER D 4 73 ? -14.892 34.322 23.328 1.00 31.31 ? 74 SER D C 1 +ATOM 3628 O O . SER D 4 73 ? -14.294 35.223 23.923 1.00 25.58 ? 74 SER D O 1 +ATOM 3629 C CB . SER D 4 73 ? -15.905 32.342 24.450 1.00 42.74 ? 74 SER D CB 1 +ATOM 3630 O OG . SER D 4 73 ? -17.077 32.434 23.649 1.00 50.84 ? 74 SER D OG 1 +ATOM 3631 N N . LEU D 4 74 ? -15.768 34.538 22.354 1.00 29.49 ? 75 LEU D N 1 +ATOM 3632 C CA . LEU D 4 74 ? -16.073 35.870 21.869 1.00 32.13 ? 75 LEU D CA 1 +ATOM 3633 C C . LEU D 4 74 ? -17.546 35.992 21.629 1.00 29.90 ? 75 LEU D C 1 +ATOM 3634 O O . LEU D 4 74 ? -18.110 35.222 20.855 1.00 34.46 ? 75 LEU D O 1 +ATOM 3635 C CB . LEU D 4 74 ? -15.365 36.126 20.535 1.00 37.36 ? 75 LEU D CB 1 +ATOM 3636 C CG . LEU D 4 74 ? -15.590 37.503 19.890 1.00 38.64 ? 75 LEU D CG 1 +ATOM 3637 C CD1 . LEU D 4 74 ? -15.049 38.608 20.812 1.00 33.44 ? 75 LEU D CD1 1 +ATOM 3638 C CD2 . LEU D 4 74 ? -14.925 37.555 18.513 1.00 34.51 ? 75 LEU D CD2 1 +ATOM 3639 N N . HIS D 4 75 ? -18.172 36.964 22.277 1.00 28.79 ? 76 HIS D N 1 +ATOM 3640 C CA . HIS D 4 75 ? -19.593 37.190 22.074 1.00 31.48 ? 76 HIS D CA 1 +ATOM 3641 C C . HIS D 4 75 ? -19.777 38.494 21.321 1.00 34.08 ? 76 HIS D C 1 +ATOM 3642 O O . HIS D 4 75 ? -19.195 39.523 21.703 1.00 30.56 ? 76 HIS D O 1 +ATOM 3643 C CB . HIS D 4 75 ? -20.355 37.262 23.395 1.00 33.31 ? 76 HIS D CB 1 +ATOM 3644 C CG . HIS D 4 75 ? -20.386 35.963 24.142 1.00 38.93 ? 76 HIS D CG 1 +ATOM 3645 N ND1 . HIS D 4 75 ? -21.518 35.492 24.767 1.00 38.27 ? 76 HIS D ND1 1 +ATOM 3646 C CD2 . HIS D 4 75 ? -19.407 35.071 24.402 1.00 42.97 ? 76 HIS D CD2 1 +ATOM 3647 C CE1 . HIS D 4 75 ? -21.229 34.365 25.395 1.00 39.54 ? 76 HIS D CE1 1 +ATOM 3648 N NE2 . HIS D 4 75 ? -19.959 34.083 25.193 1.00 39.25 ? 76 HIS D NE2 1 +ATOM 3649 N N . ILE D 4 76 ? -20.450 38.405 20.173 1.00 36.29 ? 77 ILE D N 1 +ATOM 3650 C CA . ILE D 4 76 ? -20.765 39.571 19.361 1.00 34.69 ? 77 ILE D CA 1 +ATOM 3651 C C . ILE D 4 76 ? -22.263 39.771 19.492 1.00 40.18 ? 77 ILE D C 1 +ATOM 3652 O O . ILE D 4 76 ? -23.071 38.911 19.118 1.00 36.87 ? 77 ILE D O 1 +ATOM 3653 C CB . ILE D 4 76 ? -20.408 39.415 17.870 1.00 30.42 ? 77 ILE D CB 1 +ATOM 3654 C CG1 . ILE D 4 76 ? -18.914 39.122 17.713 1.00 26.25 ? 77 ILE D CG1 1 +ATOM 3655 C CG2 . ILE D 4 76 ? -20.770 40.699 17.133 1.00 23.21 ? 77 ILE D CG2 1 +ATOM 3656 C CD1 . ILE D 4 76 ? -18.462 38.951 16.297 1.00 25.87 ? 77 ILE D CD1 1 +ATOM 3657 N N . VAL D 4 77 ? -22.601 40.837 20.202 1.00 48.29 ? 78 VAL D N 1 +ATOM 3658 C CA . VAL D 4 77 ? -23.973 41.243 20.448 1.00 51.95 ? 78 VAL D CA 1 +ATOM 3659 C C . VAL D 4 77 ? -23.961 42.755 20.407 1.00 53.22 ? 78 VAL D C 1 +ATOM 3660 O O . VAL D 4 77 ? -23.146 43.396 21.071 1.00 55.44 ? 78 VAL D O 1 +ATOM 3661 C CB . VAL D 4 77 ? -24.431 40.886 21.873 1.00 53.28 ? 78 VAL D CB 1 +ATOM 3662 C CG1 . VAL D 4 77 ? -25.943 40.970 21.962 1.00 56.52 ? 78 VAL D CG1 1 +ATOM 3663 C CG2 . VAL D 4 77 ? -23.900 39.542 22.302 1.00 53.56 ? 78 VAL D CG2 1 +ATOM 3664 N N . PRO D 4 78 ? -24.777 43.380 19.538 1.00 54.35 ? 79 PRO D N 1 +ATOM 3665 C CA . PRO D 4 78 ? -25.689 42.670 18.618 1.00 54.80 ? 79 PRO D CA 1 +ATOM 3666 C C . PRO D 4 78 ? -24.953 42.476 17.295 1.00 55.09 ? 79 PRO D C 1 +ATOM 3667 O O . PRO D 4 78 ? -24.176 43.332 16.861 1.00 56.57 ? 79 PRO D O 1 +ATOM 3668 C CB . PRO D 4 78 ? -26.823 43.680 18.485 1.00 53.54 ? 79 PRO D CB 1 +ATOM 3669 C CG . PRO D 4 78 ? -26.097 45.010 18.536 1.00 55.65 ? 79 PRO D CG 1 +ATOM 3670 C CD . PRO D 4 78 ? -25.122 44.790 19.666 1.00 54.93 ? 79 PRO D CD 1 +ATOM 3671 N N . SER D 4 79 ? -25.130 41.323 16.660 1.00 52.92 ? 80 SER D N 1 +ATOM 3672 C CA . SER D 4 79 ? -24.427 41.145 15.412 1.00 59.23 ? 80 SER D CA 1 +ATOM 3673 C C . SER D 4 79 ? -25.059 41.854 14.197 1.00 60.57 ? 80 SER D C 1 +ATOM 3674 O O . SER D 4 79 ? -26.289 41.849 14.020 1.00 59.72 ? 80 SER D O 1 +ATOM 3675 C CB . SER D 4 79 ? -24.136 39.656 15.151 1.00 59.04 ? 80 SER D CB 1 +ATOM 3676 O OG . SER D 4 79 ? -25.276 38.848 15.328 1.00 63.25 ? 80 SER D OG 1 +ATOM 3677 N N . GLN D 4 80 ? -24.197 42.539 13.432 1.00 61.12 ? 81 GLN D N 1 +ATOM 3678 C CA . GLN D 4 80 ? -24.550 43.283 12.215 1.00 54.23 ? 81 GLN D CA 1 +ATOM 3679 C C . GLN D 4 80 ? -23.975 42.512 11.001 1.00 51.01 ? 81 GLN D C 1 +ATOM 3680 O O . GLN D 4 80 ? -22.979 41.797 11.146 1.00 44.80 ? 81 GLN D O 1 +ATOM 3681 C CB . GLN D 4 80 ? -23.907 44.679 12.247 1.00 54.22 ? 81 GLN D CB 1 +ATOM 3682 C CG . GLN D 4 80 ? -24.102 45.507 13.526 1.00 54.66 ? 81 GLN D CG 1 +ATOM 3683 C CD . GLN D 4 80 ? -23.337 46.836 13.462 1.00 60.18 ? 81 GLN D CD 1 +ATOM 3684 O OE1 . GLN D 4 80 ? -22.416 46.993 12.653 1.00 62.69 ? 81 GLN D OE1 1 +ATOM 3685 N NE2 . GLN D 4 80 ? -23.720 47.794 14.302 1.00 57.17 ? 81 GLN D NE2 1 +ATOM 3686 N N . PRO D 4 81 ? -24.573 42.655 9.792 1.00 52.01 ? 82 PRO D N 1 +ATOM 3687 C CA . PRO D 4 81 ? -24.099 41.966 8.578 1.00 47.41 ? 82 PRO D CA 1 +ATOM 3688 C C . PRO D 4 81 ? -22.650 42.295 8.195 1.00 40.25 ? 82 PRO D C 1 +ATOM 3689 O O . PRO D 4 81 ? -22.018 41.532 7.473 1.00 38.57 ? 82 PRO D O 1 +ATOM 3690 C CB . PRO D 4 81 ? -25.071 42.445 7.497 1.00 46.29 ? 82 PRO D CB 1 +ATOM 3691 C CG . PRO D 4 81 ? -26.325 42.657 8.240 1.00 47.58 ? 82 PRO D CG 1 +ATOM 3692 C CD . PRO D 4 81 ? -25.827 43.380 9.491 1.00 54.64 ? 82 PRO D CD 1 +ATOM 3693 N N . GLY D 4 82 ? -22.150 43.450 8.634 1.00 34.65 ? 83 GLY D N 1 +ATOM 3694 C CA . GLY D 4 82 ? -20.773 43.812 8.344 1.00 32.07 ? 83 GLY D CA 1 +ATOM 3695 C C . GLY D 4 82 ? -19.828 42.899 9.104 1.00 33.56 ? 83 GLY D C 1 +ATOM 3696 O O . GLY D 4 82 ? -18.654 42.821 8.785 1.00 36.23 ? 83 GLY D O 1 +ATOM 3697 N N . ASP D 4 83 ? -20.354 42.197 10.108 1.00 36.75 ? 84 ASP D N 1 +ATOM 3698 C CA . ASP D 4 83 ? -19.573 41.282 10.938 1.00 38.00 ? 84 ASP D CA 1 +ATOM 3699 C C . ASP D 4 83 ? -19.175 39.969 10.280 1.00 35.84 ? 84 ASP D C 1 +ATOM 3700 O O . ASP D 4 83 ? -18.374 39.218 10.844 1.00 36.86 ? 84 ASP D O 1 +ATOM 3701 C CB . ASP D 4 83 ? -20.318 40.967 12.244 1.00 39.40 ? 84 ASP D CB 1 +ATOM 3702 C CG . ASP D 4 83 ? -20.173 42.059 13.283 1.00 40.23 ? 84 ASP D CG 1 +ATOM 3703 O OD1 . ASP D 4 83 ? -19.111 42.724 13.325 1.00 43.35 ? 84 ASP D OD1 1 +ATOM 3704 O OD2 . ASP D 4 83 ? -21.121 42.237 14.074 1.00 38.78 ? 84 ASP D OD2 1 +ATOM 3705 N N . SER D 4 84 ? -19.795 39.641 9.153 1.00 31.50 ? 85 SER D N 1 +ATOM 3706 C CA . SER D 4 84 ? -19.473 38.406 8.465 1.00 29.00 ? 85 SER D CA 1 +ATOM 3707 C C . SER D 4 84 ? -17.993 38.496 8.160 1.00 31.51 ? 85 SER D C 1 +ATOM 3708 O O . SER D 4 84 ? -17.513 39.506 7.641 1.00 36.81 ? 85 SER D O 1 +ATOM 3709 C CB . SER D 4 84 ? -20.284 38.272 7.181 1.00 32.72 ? 85 SER D CB 1 +ATOM 3710 O OG . SER D 4 84 ? -21.676 38.140 7.454 1.00 40.50 ? 85 SER D OG 1 +ATOM 3711 N N . ALA D 4 85 ? -17.262 37.466 8.559 1.00 27.79 ? 86 ALA D N 1 +ATOM 3712 C CA . ALA D 4 85 ? -15.828 37.424 8.364 1.00 16.74 ? 86 ALA D CA 1 +ATOM 3713 C C . ALA D 4 85 ? -15.353 36.146 9.009 1.00 18.32 ? 86 ALA D C 1 +ATOM 3714 O O . ALA D 4 85 ? -16.151 35.413 9.590 1.00 20.93 ? 86 ALA D O 1 +ATOM 3715 C CB . ALA D 4 85 ? -15.191 38.607 9.039 1.00 9.62 ? 86 ALA D CB 1 +ATOM 3716 N N . VAL D 4 86 ? -14.081 35.819 8.830 1.00 22.76 ? 87 VAL D N 1 +ATOM 3717 C CA . VAL D 4 86 ? -13.542 34.631 9.466 1.00 25.74 ? 87 VAL D CA 1 +ATOM 3718 C C . VAL D 4 86 ? -12.842 35.215 10.667 1.00 27.80 ? 87 VAL D C 1 +ATOM 3719 O O . VAL D 4 86 ? -12.043 36.161 10.528 1.00 21.83 ? 87 VAL D O 1 +ATOM 3720 C CB . VAL D 4 86 ? -12.479 33.875 8.622 1.00 26.26 ? 87 VAL D CB 1 +ATOM 3721 C CG1 . VAL D 4 86 ? -11.882 32.738 9.442 1.00 20.60 ? 87 VAL D CG1 1 +ATOM 3722 C CG2 . VAL D 4 86 ? -13.099 33.289 7.373 1.00 28.68 ? 87 VAL D CG2 1 +ATOM 3723 N N . TYR D 4 87 ? -13.216 34.711 11.840 1.00 28.01 ? 88 TYR D N 1 +ATOM 3724 C CA . TYR D 4 87 ? -12.626 35.147 13.092 1.00 23.49 ? 88 TYR D CA 1 +ATOM 3725 C C . TYR D 4 87 ? -11.614 34.130 13.597 1.00 23.77 ? 88 TYR D C 1 +ATOM 3726 O O . TYR D 4 87 ? -11.915 32.934 13.697 1.00 23.02 ? 88 TYR D O 1 +ATOM 3727 C CB . TYR D 4 87 ? -13.719 35.390 14.118 1.00 23.44 ? 88 TYR D CB 1 +ATOM 3728 C CG . TYR D 4 87 ? -14.610 36.562 13.779 1.00 17.31 ? 88 TYR D CG 1 +ATOM 3729 C CD1 . TYR D 4 87 ? -14.234 37.853 14.099 1.00 22.57 ? 88 TYR D CD1 1 +ATOM 3730 C CD2 . TYR D 4 87 ? -15.827 36.373 13.152 1.00 17.75 ? 88 TYR D CD2 1 +ATOM 3731 C CE1 . TYR D 4 87 ? -15.049 38.925 13.811 1.00 21.82 ? 88 TYR D CE1 1 +ATOM 3732 C CE2 . TYR D 4 87 ? -16.650 37.442 12.855 1.00 19.49 ? 88 TYR D CE2 1 +ATOM 3733 C CZ . TYR D 4 87 ? -16.254 38.713 13.189 1.00 19.77 ? 88 TYR D CZ 1 +ATOM 3734 O OH . TYR D 4 87 ? -17.072 39.787 12.928 1.00 33.64 ? 88 TYR D OH 1 +ATOM 3735 N N . PHE D 4 88 ? -10.384 34.599 13.782 1.00 22.73 ? 89 PHE D N 1 +ATOM 3736 C CA . PHE D 4 88 ? -9.294 33.770 14.267 1.00 31.24 ? 89 PHE D CA 1 +ATOM 3737 C C . PHE D 4 88 ? -8.951 34.012 15.726 1.00 34.24 ? 89 PHE D C 1 +ATOM 3738 O O . PHE D 4 88 ? -8.601 35.125 16.103 1.00 31.93 ? 89 PHE D O 1 +ATOM 3739 C CB . PHE D 4 88 ? -8.030 34.045 13.483 1.00 32.95 ? 89 PHE D CB 1 +ATOM 3740 C CG . PHE D 4 88 ? -8.099 33.637 12.068 1.00 37.61 ? 89 PHE D CG 1 +ATOM 3741 C CD1 . PHE D 4 88 ? -7.838 32.326 11.704 1.00 37.97 ? 89 PHE D CD1 1 +ATOM 3742 C CD2 . PHE D 4 88 ? -8.371 34.581 11.082 1.00 41.55 ? 89 PHE D CD2 1 +ATOM 3743 C CE1 . PHE D 4 88 ? -7.832 31.961 10.370 1.00 42.86 ? 89 PHE D CE1 1 +ATOM 3744 C CE2 . PHE D 4 88 ? -8.368 34.232 9.742 1.00 41.04 ? 89 PHE D CE2 1 +ATOM 3745 C CZ . PHE D 4 88 ? -8.101 32.920 9.380 1.00 43.64 ? 89 PHE D CZ 1 +ATOM 3746 N N . CYS D 4 89 ? -9.049 32.958 16.530 1.00 37.99 ? 90 CYS D N 1 +ATOM 3747 C CA . CYS D 4 89 ? -8.703 32.986 17.947 1.00 40.02 ? 90 CYS D CA 1 +ATOM 3748 C C . CYS D 4 89 ? -7.206 32.709 18.026 1.00 36.18 ? 90 CYS D C 1 +ATOM 3749 O O . CYS D 4 89 ? -6.716 31.765 17.404 1.00 38.88 ? 90 CYS D O 1 +ATOM 3750 C CB . CYS D 4 89 ? -9.481 31.893 18.685 1.00 44.30 ? 90 CYS D CB 1 +ATOM 3751 S SG . CYS D 4 89 ? -8.850 31.435 20.333 1.00 51.36 ? 90 CYS D SG 1 +ATOM 3752 N N . ALA D 4 90 ? -6.484 33.530 18.779 1.00 36.00 ? 91 ALA D N 1 +ATOM 3753 C CA . ALA D 4 90 ? -5.037 33.383 18.910 1.00 31.99 ? 91 ALA D CA 1 +ATOM 3754 C C . ALA D 4 90 ? -4.552 33.530 20.353 1.00 31.98 ? 91 ALA D C 1 +ATOM 3755 O O . ALA D 4 90 ? -5.273 34.027 21.220 1.00 33.84 ? 91 ALA D O 1 +ATOM 3756 C CB . ALA D 4 90 ? -4.340 34.395 18.022 1.00 20.54 ? 91 ALA D CB 1 +ATOM 3757 N N . ALA D 4 91 ? -3.310 33.123 20.579 1.00 28.62 ? 92 ALA D N 1 +ATOM 3758 C CA . ALA D 4 91 ? -2.672 33.179 21.877 1.00 26.60 ? 92 ALA D CA 1 +ATOM 3759 C C . ALA D 4 91 ? -1.163 33.346 21.671 1.00 26.91 ? 92 ALA D C 1 +ATOM 3760 O O . ALA D 4 91 ? -0.615 32.779 20.735 1.00 27.88 ? 92 ALA D O 1 +ATOM 3761 C CB . ALA D 4 91 ? -2.952 31.888 22.622 1.00 30.87 ? 92 ALA D CB 1 +ATOM 3762 N N . MET D 4 92 ? -0.485 34.121 22.515 1.00 25.12 ? 93 MET D N 1 +ATOM 3763 C CA . MET D 4 92 ? 0.957 34.274 22.352 1.00 26.40 ? 93 MET D CA 1 +ATOM 3764 C C . MET D 4 92 ? 1.709 33.504 23.419 1.00 28.96 ? 93 MET D C 1 +ATOM 3765 O O . MET D 4 92 ? 1.163 33.199 24.480 1.00 37.76 ? 93 MET D O 1 +ATOM 3766 C CB . MET D 4 92 ? 1.380 35.734 22.448 1.00 17.29 ? 93 MET D CB 1 +ATOM 3767 C CG . MET D 4 92 ? 0.360 36.694 21.957 1.00 25.08 ? 93 MET D CG 1 +ATOM 3768 S SD . MET D 4 92 ? 1.153 38.034 21.108 1.00 27.40 ? 93 MET D SD 1 +ATOM 3769 C CE . MET D 4 92 ? 1.442 39.183 22.294 1.00 36.11 ? 93 MET D CE 1 +ATOM 3770 N N . GLU D 4 93 ? 2.943 33.132 23.105 1.00 30.52 ? 94 GLU D N 1 +ATOM 3771 C CA . GLU D 4 93 ? 3.830 32.470 24.052 1.00 29.13 ? 94 GLU D CA 1 +ATOM 3772 C C . GLU D 4 93 ? 4.991 33.486 24.135 1.00 29.06 ? 94 GLU D C 1 +ATOM 3773 O O . GLU D 4 93 ? 6.085 33.275 23.602 1.00 22.51 ? 94 GLU D O 1 +ATOM 3774 C CB . GLU D 4 93 ? 4.287 31.115 23.507 1.00 27.95 ? 94 GLU D CB 1 +ATOM 3775 C CG . GLU D 4 93 ? 5.229 30.397 24.445 1.00 31.09 ? 94 GLU D CG 1 +ATOM 3776 C CD . GLU D 4 93 ? 5.587 29.025 23.960 1.00 36.63 ? 94 GLU D CD 1 +ATOM 3777 O OE1 . GLU D 4 93 ? 4.767 28.116 24.166 1.00 43.11 ? 94 GLU D OE1 1 +ATOM 3778 O OE2 . GLU D 4 93 ? 6.677 28.843 23.378 1.00 35.76 ? 94 GLU D OE2 1 +ATOM 3779 N N . GLY D 4 94 ? 4.713 34.607 24.794 1.00 28.50 ? 95 GLY D N 1 +ATOM 3780 C CA . GLY D 4 94 ? 5.663 35.700 24.880 1.00 31.56 ? 95 GLY D CA 1 +ATOM 3781 C C . GLY D 4 94 ? 5.178 36.680 23.806 1.00 34.99 ? 95 GLY D C 1 +ATOM 3782 O O . GLY D 4 94 ? 4.203 36.387 23.107 1.00 41.17 ? 95 GLY D O 1 +ATOM 3783 N N . ALA D 4 95 ? 5.874 37.786 23.585 1.00 29.55 ? 96 ALA D N 1 +ATOM 3784 C CA . ALA D 4 95 ? 5.406 38.753 22.594 1.00 28.88 ? 96 ALA D CA 1 +ATOM 3785 C C . ALA D 4 95 ? 5.966 38.544 21.191 1.00 31.96 ? 96 ALA D C 1 +ATOM 3786 O O . ALA D 4 95 ? 5.684 39.321 20.275 1.00 34.63 ? 96 ALA D O 1 +ATOM 3787 C CB . ALA D 4 95 ? 5.682 40.172 23.072 1.00 23.18 ? 96 ALA D CB 1 +ATOM 3788 N N . GLN D 4 96 ? 6.777 37.503 21.030 1.00 32.07 ? 102 GLN D N 1 +ATOM 3789 C CA . GLN D 4 96 ? 7.399 37.188 19.744 1.00 21.37 ? 102 GLN D CA 1 +ATOM 3790 C C . GLN D 4 96 ? 6.931 35.877 19.094 1.00 15.81 ? 102 GLN D C 1 +ATOM 3791 O O . GLN D 4 96 ? 7.588 35.330 18.201 1.00 13.66 ? 102 GLN D O 1 +ATOM 3792 C CB . GLN D 4 96 ? 8.925 37.256 19.884 1.00 23.58 ? 102 GLN D CB 1 +ATOM 3793 C CG . GLN D 4 96 ? 9.411 38.631 20.383 1.00 8.66 ? 102 GLN D CG 1 +ATOM 3794 C CD . GLN D 4 96 ? 10.902 38.704 20.569 1.00 12.56 ? 102 GLN D CD 1 +ATOM 3795 O OE1 . GLN D 4 96 ? 11.539 37.717 20.916 1.00 18.82 ? 102 GLN D OE1 1 +ATOM 3796 N NE2 . GLN D 4 96 ? 11.474 39.880 20.347 1.00 13.35 ? 102 GLN D NE2 1 +ATOM 3797 N N . LYS D 4 97 ? 5.787 35.385 19.553 1.00 9.21 ? 103 LYS D N 1 +ATOM 3798 C CA . LYS D 4 97 ? 5.181 34.199 18.990 1.00 14.61 ? 103 LYS D CA 1 +ATOM 3799 C C . LYS D 4 97 ? 3.667 34.272 19.120 1.00 17.63 ? 103 LYS D C 1 +ATOM 3800 O O . LYS D 4 97 ? 3.138 34.440 20.211 1.00 20.52 ? 103 LYS D O 1 +ATOM 3801 C CB . LYS D 4 97 ? 5.709 32.900 19.596 1.00 16.39 ? 103 LYS D CB 1 +ATOM 3802 C CG . LYS D 4 97 ? 4.972 31.685 19.010 1.00 20.58 ? 103 LYS D CG 1 +ATOM 3803 C CD . LYS D 4 97 ? 5.774 30.383 18.964 1.00 31.79 ? 103 LYS D CD 1 +ATOM 3804 C CE . LYS D 4 97 ? 5.036 29.340 18.091 1.00 42.86 ? 103 LYS D CE 1 +ATOM 3805 N NZ . LYS D 4 97 ? 5.576 27.931 18.113 1.00 53.32 ? 103 LYS D NZ 1 +ATOM 3806 N N . LEU D 4 98 ? 2.987 34.148 17.984 1.00 22.37 ? 104 LEU D N 1 +ATOM 3807 C CA . LEU D 4 98 ? 1.530 34.178 17.897 1.00 23.26 ? 104 LEU D CA 1 +ATOM 3808 C C . LEU D 4 98 ? 1.115 32.814 17.355 1.00 27.26 ? 104 LEU D C 1 +ATOM 3809 O O . LEU D 4 98 ? 1.770 32.276 16.462 1.00 30.15 ? 104 LEU D O 1 +ATOM 3810 C CB . LEU D 4 98 ? 1.091 35.232 16.884 1.00 34.69 ? 104 LEU D CB 1 +ATOM 3811 C CG . LEU D 4 98 ? -0.109 36.107 17.199 1.00 33.73 ? 104 LEU D CG 1 +ATOM 3812 C CD1 . LEU D 4 98 ? -1.318 35.291 17.484 1.00 35.05 ? 104 LEU D CD1 1 +ATOM 3813 C CD2 . LEU D 4 98 ? 0.244 36.915 18.404 1.00 50.00 ? 104 LEU D CD2 1 +ATOM 3814 N N . VAL D 4 99 ? 0.052 32.242 17.901 1.00 22.34 ? 105 VAL D N 1 +ATOM 3815 C CA . VAL D 4 99 ? -0.426 30.957 17.447 1.00 19.61 ? 105 VAL D CA 1 +ATOM 3816 C C . VAL D 4 99 ? -1.907 31.065 17.169 1.00 20.42 ? 105 VAL D C 1 +ATOM 3817 O O . VAL D 4 99 ? -2.695 31.338 18.066 1.00 23.79 ? 105 VAL D O 1 +ATOM 3818 C CB . VAL D 4 99 ? -0.141 29.877 18.493 1.00 25.84 ? 105 VAL D CB 1 +ATOM 3819 C CG1 . VAL D 4 99 ? -0.673 28.502 18.040 1.00 18.81 ? 105 VAL D CG1 1 +ATOM 3820 C CG2 . VAL D 4 99 ? 1.354 29.831 18.758 1.00 19.30 ? 105 VAL D CG2 1 +ATOM 3821 N N . PHE D 4 100 ? -2.271 30.897 15.903 1.00 22.03 ? 106 PHE D N 1 +ATOM 3822 C CA . PHE D 4 100 ? -3.663 30.992 15.500 1.00 23.18 ? 106 PHE D CA 1 +ATOM 3823 C C . PHE D 4 100 ? -4.323 29.631 15.475 1.00 24.69 ? 106 PHE D C 1 +ATOM 3824 O O . PHE D 4 100 ? -3.671 28.593 15.587 1.00 23.42 ? 106 PHE D O 1 +ATOM 3825 C CB . PHE D 4 100 ? -3.801 31.628 14.112 1.00 19.54 ? 106 PHE D CB 1 +ATOM 3826 C CG . PHE D 4 100 ? -3.278 33.027 14.023 1.00 18.44 ? 106 PHE D CG 1 +ATOM 3827 C CD1 . PHE D 4 100 ? -1.928 33.259 13.818 1.00 16.04 ? 106 PHE D CD1 1 +ATOM 3828 C CD2 . PHE D 4 100 ? -4.139 34.117 14.132 1.00 19.58 ? 106 PHE D CD2 1 +ATOM 3829 C CE1 . PHE D 4 100 ? -1.438 34.561 13.722 1.00 26.67 ? 106 PHE D CE1 1 +ATOM 3830 C CE2 . PHE D 4 100 ? -3.663 35.425 14.035 1.00 18.89 ? 106 PHE D CE2 1 +ATOM 3831 C CZ . PHE D 4 100 ? -2.311 35.651 13.833 1.00 22.65 ? 106 PHE D CZ 1 +ATOM 3832 N N . GLY D 4 101 ? -5.640 29.667 15.351 1.00 26.69 ? 107 GLY D N 1 +ATOM 3833 C CA . GLY D 4 101 ? -6.417 28.456 15.270 1.00 30.71 ? 107 GLY D CA 1 +ATOM 3834 C C . GLY D 4 101 ? -6.920 28.311 13.846 1.00 36.68 ? 107 GLY D C 1 +ATOM 3835 O O . GLY D 4 101 ? -6.550 29.084 12.953 1.00 38.23 ? 107 GLY D O 1 +ATOM 3836 N N . GLN D 4 102 ? -7.889 27.424 13.667 1.00 37.03 ? 108 GLN D N 1 +ATOM 3837 C CA . GLN D 4 102 ? -8.420 27.144 12.346 1.00 32.38 ? 108 GLN D CA 1 +ATOM 3838 C C . GLN D 4 102 ? -9.291 28.277 11.807 1.00 31.92 ? 108 GLN D C 1 +ATOM 3839 O O . GLN D 4 102 ? -9.340 28.502 10.608 1.00 36.11 ? 108 GLN D O 1 +ATOM 3840 C CB . GLN D 4 102 ? -9.163 25.799 12.335 1.00 29.77 ? 108 GLN D CB 1 +ATOM 3841 C CG . GLN D 4 102 ? -9.015 24.905 13.595 1.00 33.21 ? 108 GLN D CG 1 +ATOM 3842 C CD . GLN D 4 102 ? -7.581 24.570 13.991 1.00 37.15 ? 108 GLN D CD 1 +ATOM 3843 O OE1 . GLN D 4 102 ? -6.813 25.434 14.384 1.00 43.02 ? 108 GLN D OE1 1 +ATOM 3844 N NE2 . GLN D 4 102 ? -7.245 23.296 13.962 1.00 47.19 ? 108 GLN D NE2 1 +ATOM 3845 N N . GLY D 4 103 ? -9.850 29.075 12.707 1.00 31.34 ? 109 GLY D N 1 +ATOM 3846 C CA . GLY D 4 103 ? -10.714 30.172 12.309 1.00 28.51 ? 109 GLY D CA 1 +ATOM 3847 C C . GLY D 4 103 ? -12.145 29.684 12.114 1.00 33.86 ? 109 GLY D C 1 +ATOM 3848 O O . GLY D 4 103 ? -12.387 28.483 11.928 1.00 30.28 ? 109 GLY D O 1 +ATOM 3849 N N . THR D 4 104 ? -13.095 30.610 12.193 1.00 36.46 ? 110 THR D N 1 +ATOM 3850 C CA . THR D 4 104 ? -14.505 30.293 12.004 1.00 37.86 ? 110 THR D CA 1 +ATOM 3851 C C . THR D 4 104 ? -15.170 31.389 11.175 1.00 42.28 ? 110 THR D C 1 +ATOM 3852 O O . THR D 4 104 ? -15.001 32.586 11.451 1.00 37.90 ? 110 THR D O 1 +ATOM 3853 C CB . THR D 4 104 ? -15.252 30.124 13.359 1.00 41.48 ? 110 THR D CB 1 +ATOM 3854 O OG1 . THR D 4 104 ? -14.786 28.934 14.010 1.00 42.58 ? 110 THR D OG1 1 +ATOM 3855 C CG2 . THR D 4 104 ? -16.774 30.020 13.151 1.00 40.97 ? 110 THR D CG2 1 +ATOM 3856 N N . ARG D 4 105 ? -15.852 30.973 10.110 1.00 44.72 ? 111 ARG D N 1 +ATOM 3857 C CA . ARG D 4 105 ? -16.550 31.907 9.237 1.00 45.96 ? 111 ARG D CA 1 +ATOM 3858 C C . ARG D 4 105 ? -17.852 32.308 9.862 1.00 42.64 ? 111 ARG D C 1 +ATOM 3859 O O . ARG D 4 105 ? -18.733 31.474 10.089 1.00 43.25 ? 111 ARG D O 1 +ATOM 3860 C CB . ARG D 4 105 ? -16.908 31.289 7.896 1.00 53.12 ? 111 ARG D CB 1 +ATOM 3861 C CG . ARG D 4 105 ? -15.790 31.042 6.962 1.00 63.88 ? 111 ARG D CG 1 +ATOM 3862 C CD . ARG D 4 105 ? -16.349 30.363 5.756 1.00 69.04 ? 111 ARG D CD 1 +ATOM 3863 N NE . ARG D 4 105 ? -15.286 29.813 4.943 1.00 82.77 ? 111 ARG D NE 1 +ATOM 3864 C CZ . ARG D 4 105 ? -15.479 29.285 3.745 1.00 94.65 ? 111 ARG D CZ 1 +ATOM 3865 N NH1 . ARG D 4 105 ? -16.702 29.235 3.233 1.00 99.99 ? 111 ARG D NH1 1 +ATOM 3866 N NH2 . ARG D 4 105 ? -14.445 28.842 3.044 1.00 99.98 ? 111 ARG D NH2 1 +ATOM 3867 N N . LEU D 4 106 ? -17.968 33.583 10.169 1.00 38.72 ? 112 LEU D N 1 +ATOM 3868 C CA . LEU D 4 106 ? -19.205 34.064 10.713 1.00 38.73 ? 112 LEU D CA 1 +ATOM 3869 C C . LEU D 4 106 ? -19.962 34.691 9.556 1.00 38.19 ? 112 LEU D C 1 +ATOM 3870 O O . LEU D 4 106 ? -19.408 35.486 8.785 1.00 33.44 ? 112 LEU D O 1 +ATOM 3871 C CB . LEU D 4 106 ? -18.977 35.091 11.814 1.00 36.29 ? 112 LEU D CB 1 +ATOM 3872 C CG . LEU D 4 106 ? -20.317 35.470 12.436 1.00 34.29 ? 112 LEU D CG 1 +ATOM 3873 C CD1 . LEU D 4 106 ? -20.947 34.197 12.997 1.00 30.30 ? 112 LEU D CD1 1 +ATOM 3874 C CD2 . LEU D 4 106 ? -20.156 36.555 13.507 1.00 35.18 ? 112 LEU D CD2 1 +ATOM 3875 N N . THR D 4 107 ? -21.217 34.289 9.420 1.00 40.91 ? 113 THR D N 1 +ATOM 3876 C CA . THR D 4 107 ? -22.085 34.801 8.379 1.00 41.49 ? 113 THR D CA 1 +ATOM 3877 C C . THR D 4 107 ? -23.300 35.412 9.072 1.00 42.07 ? 113 THR D C 1 +ATOM 3878 O O . THR D 4 107 ? -24.131 34.700 9.643 1.00 41.37 ? 113 THR D O 1 +ATOM 3879 C CB . THR D 4 107 ? -22.531 33.667 7.388 1.00 43.22 ? 113 THR D CB 1 +ATOM 3880 O OG1 . THR D 4 107 ? -21.377 33.053 6.787 1.00 40.86 ? 113 THR D OG1 1 +ATOM 3881 C CG2 . THR D 4 107 ? -23.416 34.230 6.282 1.00 40.64 ? 113 THR D CG2 1 +ATOM 3882 N N . ILE D 4 108 ? -23.298 36.735 9.168 1.00 43.22 ? 114 ILE D N 1 +ATOM 3883 C CA . ILE D 4 108 ? -24.414 37.451 9.758 1.00 47.64 ? 114 ILE D CA 1 +ATOM 3884 C C . ILE D 4 108 ? -25.389 37.730 8.592 1.00 47.30 ? 114 ILE D C 1 +ATOM 3885 O O . ILE D 4 108 ? -25.105 38.514 7.678 1.00 48.71 ? 114 ILE D O 1 +ATOM 3886 C CB . ILE D 4 108 ? -23.926 38.751 10.430 1.00 43.13 ? 114 ILE D CB 1 +ATOM 3887 N N . ASN D 4 109 ? -26.509 37.016 8.609 1.00 45.04 ? 115 ASN D N 1 +ATOM 3888 C CA . ASN D 4 109 ? -27.554 37.107 7.589 1.00 43.66 ? 115 ASN D CA 1 +ATOM 3889 C C . ASN D 4 109 ? -28.494 38.298 7.775 1.00 46.41 ? 115 ASN D C 1 +ATOM 3890 O O . ASN D 4 109 ? -29.150 38.414 8.813 1.00 46.87 ? 115 ASN D O 1 +ATOM 3891 C CB . ASN D 4 109 ? -28.392 35.838 7.622 1.00 36.95 ? 115 ASN D CB 1 +ATOM 3892 C CG . ASN D 4 109 ? -27.557 34.599 7.535 1.00 36.56 ? 115 ASN D CG 1 +ATOM 3893 O OD1 . ASN D 4 109 ? -26.373 34.658 7.214 1.00 38.62 ? 115 ASN D OD1 1 +ATOM 3894 N ND2 . ASN D 4 109 ? -28.155 33.463 7.846 1.00 39.68 ? 115 ASN D ND2 1 +ATOM 3895 N N . PRO D 4 110 ? -28.644 39.151 6.740 1.00 49.13 ? 116 PRO D N 1 +ATOM 3896 C CA . PRO D 4 110 ? -29.533 40.316 6.855 1.00 50.06 ? 116 PRO D CA 1 +ATOM 3897 C C . PRO D 4 110 ? -31.002 39.889 6.929 1.00 50.64 ? 116 PRO D C 1 +ATOM 3898 O O . PRO D 4 110 ? -31.367 38.808 6.447 1.00 47.70 ? 116 PRO D O 1 +ATOM 3899 C CB . PRO D 4 110 ? -29.262 41.084 5.557 1.00 48.50 ? 116 PRO D CB 1 +ATOM 3900 C CG . PRO D 4 110 ? -27.919 40.579 5.106 1.00 45.34 ? 116 PRO D CG 1 +ATOM 3901 C CD . PRO D 4 110 ? -28.013 39.118 5.412 1.00 46.58 ? 116 PRO D CD 1 +ATOM 3902 N N . ASN D 4 111 ? -31.833 40.712 7.561 1.00 51.34 ? 117 ASN D N 1 +ATOM 3903 C CA . ASN D 4 111 ? -33.258 40.403 7.677 1.00 56.82 ? 117 ASN D CA 1 +ATOM 3904 C C . ASN D 4 111 ? -33.923 40.812 6.365 1.00 57.32 ? 117 ASN D C 1 +ATOM 3905 O O . ASN D 4 111 ? -33.722 41.942 5.908 1.00 64.77 ? 117 ASN D O 1 +ATOM 3906 C CB . ASN D 4 111 ? -33.912 41.197 8.828 1.00 59.70 ? 117 ASN D CB 1 +ATOM 3907 C CG . ASN D 4 111 ? -33.459 40.744 10.217 1.00 55.90 ? 117 ASN D CG 1 +ATOM 3908 O OD1 . ASN D 4 111 ? -33.272 39.547 10.473 1.00 55.16 ? 117 ASN D OD1 1 +ATOM 3909 N ND2 . ASN D 4 111 ? -33.309 41.706 11.128 1.00 45.27 ? 117 ASN D ND2 1 +ATOM 3910 N N . ILE D 4 112 ? -34.698 39.916 5.757 1.00 53.00 ? 118 ILE D N 1 +ATOM 3911 C CA . ILE D 4 112 ? -35.372 40.258 4.505 1.00 53.36 ? 118 ILE D CA 1 +ATOM 3912 C C . ILE D 4 112 ? -36.787 40.748 4.825 1.00 54.21 ? 118 ILE D C 1 +ATOM 3913 O O . ILE D 4 112 ? -37.601 39.989 5.358 1.00 56.24 ? 118 ILE D O 1 +ATOM 3914 C CB . ILE D 4 112 ? -35.464 39.059 3.526 1.00 53.06 ? 118 ILE D CB 1 +ATOM 3915 C CG1 . ILE D 4 112 ? -34.204 38.187 3.580 1.00 54.40 ? 118 ILE D CG1 1 +ATOM 3916 C CG2 . ILE D 4 112 ? -35.591 39.583 2.103 1.00 56.88 ? 118 ILE D CG2 1 +ATOM 3917 C CD1 . ILE D 4 112 ? -32.966 38.815 2.939 1.00 51.25 ? 118 ILE D CD1 1 +ATOM 3918 N N . GLN D 4 113 ? -37.075 41.999 4.460 1.00 54.25 ? 119 GLN D N 1 +ATOM 3919 C CA . GLN D 4 113 ? -38.375 42.637 4.710 1.00 52.49 ? 119 GLN D CA 1 +ATOM 3920 C C . GLN D 4 113 ? -39.535 41.993 3.950 1.00 55.12 ? 119 GLN D C 1 +ATOM 3921 O O . GLN D 4 113 ? -40.517 41.557 4.555 1.00 55.96 ? 119 GLN D O 1 +ATOM 3922 C CB . GLN D 4 113 ? -38.297 44.122 4.395 1.00 49.00 ? 119 GLN D CB 1 +ATOM 3923 N N . ASN D 4 114 ? -39.438 41.956 2.624 1.00 59.57 ? 120 ASN D N 1 +ATOM 3924 C CA . ASN D 4 114 ? -40.486 41.346 1.813 1.00 62.68 ? 120 ASN D CA 1 +ATOM 3925 C C . ASN D 4 114 ? -39.887 40.455 0.718 1.00 62.56 ? 120 ASN D C 1 +ATOM 3926 O O . ASN D 4 114 ? -39.588 40.929 -0.375 1.00 67.82 ? 120 ASN D O 1 +ATOM 3927 C CB . ASN D 4 114 ? -41.385 42.428 1.211 1.00 62.03 ? 120 ASN D CB 1 +ATOM 3928 C CG . ASN D 4 114 ? -42.823 41.982 1.119 1.00 67.47 ? 120 ASN D CG 1 +ATOM 3929 O OD1 . ASN D 4 114 ? -43.103 40.793 0.973 1.00 69.55 ? 120 ASN D OD1 1 +ATOM 3930 N ND2 . ASN D 4 114 ? -43.750 42.924 1.255 1.00 74.35 ? 120 ASN D ND2 1 +ATOM 3931 N N . PRO D 4 115 ? -39.647 39.162 1.026 1.00 63.15 ? 121 PRO D N 1 +ATOM 3932 C CA . PRO D 4 115 ? -39.072 38.188 0.091 1.00 62.11 ? 121 PRO D CA 1 +ATOM 3933 C C . PRO D 4 115 ? -40.067 37.451 -0.780 1.00 61.25 ? 121 PRO D C 1 +ATOM 3934 O O . PRO D 4 115 ? -41.237 37.284 -0.424 1.00 58.55 ? 121 PRO D O 1 +ATOM 3935 C CB . PRO D 4 115 ? -38.378 37.173 1.010 1.00 63.80 ? 121 PRO D CB 1 +ATOM 3936 C CG . PRO D 4 115 ? -38.535 37.720 2.411 1.00 71.50 ? 121 PRO D CG 1 +ATOM 3937 C CD . PRO D 4 115 ? -39.774 38.555 2.356 1.00 68.61 ? 121 PRO D CD 1 +ATOM 3938 N N . ASP D 4 116 ? -39.541 36.939 -1.887 1.00 59.77 ? 122 ASP D N 1 +ATOM 3939 C CA . ASP D 4 116 ? -40.298 36.153 -2.859 1.00 59.12 ? 122 ASP D CA 1 +ATOM 3940 C C . ASP D 4 116 ? -39.270 35.410 -3.717 1.00 56.84 ? 122 ASP D C 1 +ATOM 3941 O O . ASP D 4 116 ? -38.797 35.913 -4.744 1.00 57.54 ? 122 ASP D O 1 +ATOM 3942 C CB . ASP D 4 116 ? -41.285 37.008 -3.689 1.00 59.78 ? 122 ASP D CB 1 +ATOM 3943 C CG . ASP D 4 116 ? -40.614 38.124 -4.479 1.00 63.11 ? 122 ASP D CG 1 +ATOM 3944 O OD1 . ASP D 4 116 ? -39.488 38.539 -4.119 1.00 67.26 ? 122 ASP D OD1 1 +ATOM 3945 O OD2 . ASP D 4 116 ? -41.242 38.598 -5.459 1.00 54.43 ? 122 ASP D OD2 1 +ATOM 3946 N N . PRO D 4 117 ? -38.886 34.204 -3.283 1.00 51.13 ? 123 PRO D N 1 +ATOM 3947 C CA . PRO D 4 117 ? -37.913 33.343 -3.950 1.00 48.34 ? 123 PRO D CA 1 +ATOM 3948 C C . PRO D 4 117 ? -38.332 33.111 -5.375 1.00 46.08 ? 123 PRO D C 1 +ATOM 3949 O O . PRO D 4 117 ? -39.510 33.241 -5.690 1.00 47.22 ? 123 PRO D O 1 +ATOM 3950 C CB . PRO D 4 117 ? -37.984 32.041 -3.152 1.00 49.01 ? 123 PRO D CB 1 +ATOM 3951 C CG . PRO D 4 117 ? -38.484 32.464 -1.819 1.00 53.55 ? 123 PRO D CG 1 +ATOM 3952 C CD . PRO D 4 117 ? -39.544 33.469 -2.183 1.00 50.89 ? 123 PRO D CD 1 +ATOM 3953 N N . ALA D 4 118 ? -37.382 32.725 -6.216 1.00 44.29 ? 124 ALA D N 1 +ATOM 3954 C CA . ALA D 4 118 ? -37.666 32.477 -7.621 1.00 39.89 ? 124 ALA D CA 1 +ATOM 3955 C C . ALA D 4 118 ? -36.414 32.028 -8.350 1.00 37.46 ? 124 ALA D C 1 +ATOM 3956 O O . ALA D 4 118 ? -35.306 32.421 -7.976 1.00 37.66 ? 124 ALA D O 1 +ATOM 3957 C CB . ALA D 4 118 ? -38.174 33.771 -8.261 1.00 38.91 ? 124 ALA D CB 1 +ATOM 3958 N N . VAL D 4 119 ? -36.578 31.179 -9.358 1.00 33.58 ? 125 VAL D N 1 +ATOM 3959 C CA . VAL D 4 119 ? -35.438 30.771 -10.166 1.00 36.96 ? 125 VAL D CA 1 +ATOM 3960 C C . VAL D 4 119 ? -35.768 31.302 -11.549 1.00 36.74 ? 125 VAL D C 1 +ATOM 3961 O O . VAL D 4 119 ? -36.890 31.126 -12.044 1.00 33.15 ? 125 VAL D O 1 +ATOM 3962 C CB . VAL D 4 119 ? -35.174 29.241 -10.194 1.00 39.22 ? 125 VAL D CB 1 +ATOM 3963 C CG1 . VAL D 4 119 ? -35.031 28.698 -8.783 1.00 41.61 ? 125 VAL D CG1 1 +ATOM 3964 C CG2 . VAL D 4 119 ? -36.232 28.518 -10.969 1.00 47.03 ? 125 VAL D CG2 1 +ATOM 3965 N N . TYR D 4 120 ? -34.845 32.081 -12.099 1.00 36.23 ? 126 TYR D N 1 +ATOM 3966 C CA . TYR D 4 120 ? -35.020 32.687 -13.411 1.00 36.91 ? 126 TYR D CA 1 +ATOM 3967 C C . TYR D 4 120 ? -33.941 32.160 -14.339 1.00 39.44 ? 126 TYR D C 1 +ATOM 3968 O O . TYR D 4 120 ? -32.824 31.876 -13.892 1.00 41.11 ? 126 TYR D O 1 +ATOM 3969 C CB . TYR D 4 120 ? -34.887 34.214 -13.318 1.00 31.88 ? 126 TYR D CB 1 +ATOM 3970 C CG . TYR D 4 120 ? -35.896 34.896 -12.412 1.00 31.84 ? 126 TYR D CG 1 +ATOM 3971 C CD1 . TYR D 4 120 ? -37.261 34.890 -12.718 1.00 32.53 ? 126 TYR D CD1 1 +ATOM 3972 C CD2 . TYR D 4 120 ? -35.482 35.566 -11.261 1.00 32.52 ? 126 TYR D CD2 1 +ATOM 3973 C CE1 . TYR D 4 120 ? -38.190 35.536 -11.903 1.00 34.09 ? 126 TYR D CE1 1 +ATOM 3974 C CE2 . TYR D 4 120 ? -36.400 36.217 -10.435 1.00 34.65 ? 126 TYR D CE2 1 +ATOM 3975 C CZ . TYR D 4 120 ? -37.754 36.201 -10.759 1.00 38.52 ? 126 TYR D CZ 1 +ATOM 3976 O OH . TYR D 4 120 ? -38.668 36.843 -9.938 1.00 39.14 ? 126 TYR D OH 1 +ATOM 3977 N N . GLN D 4 121 ? -34.276 31.986 -15.615 1.00 41.90 ? 127 GLN D N 1 +ATOM 3978 C CA . GLN D 4 121 ? -33.289 31.524 -16.586 1.00 42.76 ? 127 GLN D CA 1 +ATOM 3979 C C . GLN D 4 121 ? -32.874 32.764 -17.338 1.00 40.40 ? 127 GLN D C 1 +ATOM 3980 O O . GLN D 4 121 ? -33.717 33.527 -17.808 1.00 41.00 ? 127 GLN D O 1 +ATOM 3981 C CB . GLN D 4 121 ? -33.875 30.501 -17.549 1.00 49.43 ? 127 GLN D CB 1 +ATOM 3982 C CG . GLN D 4 121 ? -32.816 29.618 -18.195 1.00 58.71 ? 127 GLN D CG 1 +ATOM 3983 C CD . GLN D 4 121 ? -33.401 28.683 -19.230 1.00 67.85 ? 127 GLN D CD 1 +ATOM 3984 O OE1 . GLN D 4 121 ? -33.729 29.110 -20.337 1.00 74.14 ? 127 GLN D OE1 1 +ATOM 3985 N NE2 . GLN D 4 121 ? -33.526 27.399 -18.886 1.00 68.40 ? 127 GLN D NE2 1 +ATOM 3986 N N . LEU D 4 122 ? -31.579 33.010 -17.376 1.00 38.16 ? 128 LEU D N 1 +ATOM 3987 C CA . LEU D 4 122 ? -31.055 34.181 -18.046 1.00 41.56 ? 128 LEU D CA 1 +ATOM 3988 C C . LEU D 4 122 ? -30.258 33.648 -19.211 1.00 46.80 ? 128 LEU D C 1 +ATOM 3989 O O . LEU D 4 122 ? -29.612 32.602 -19.082 1.00 47.59 ? 128 LEU D O 1 +ATOM 3990 C CB . LEU D 4 122 ? -30.159 34.974 -17.090 1.00 47.70 ? 128 LEU D CB 1 +ATOM 3991 C CG . LEU D 4 122 ? -30.832 35.609 -15.857 1.00 53.44 ? 128 LEU D CG 1 +ATOM 3992 C CD1 . LEU D 4 122 ? -31.373 34.562 -14.890 1.00 47.98 ? 128 LEU D CD1 1 +ATOM 3993 C CD2 . LEU D 4 122 ? -29.842 36.494 -15.134 1.00 55.06 ? 128 LEU D CD2 1 +ATOM 3994 N N . ARG D 4 123 ? -30.303 34.350 -20.344 1.00 48.28 ? 129 ARG D N 1 +ATOM 3995 C CA . ARG D 4 123 ? -29.591 33.922 -21.547 1.00 47.73 ? 129 ARG D CA 1 +ATOM 3996 C C . ARG D 4 123 ? -28.434 34.851 -21.906 1.00 45.29 ? 129 ARG D C 1 +ATOM 3997 O O . ARG D 4 123 ? -28.504 36.056 -21.663 1.00 43.32 ? 129 ARG D O 1 +ATOM 3998 C CB . ARG D 4 123 ? -30.563 33.795 -22.711 1.00 48.56 ? 129 ARG D CB 1 +ATOM 3999 N N . ASP D 4 124 ? -27.352 34.264 -22.418 1.00 44.15 ? 130 ASP D N 1 +ATOM 4000 C CA . ASP D 4 124 ? -26.150 34.994 -22.821 1.00 47.63 ? 130 ASP D CA 1 +ATOM 4001 C C . ASP D 4 124 ? -26.401 36.203 -23.731 1.00 52.97 ? 130 ASP D C 1 +ATOM 4002 O O . ASP D 4 124 ? -27.313 36.210 -24.564 1.00 56.13 ? 130 ASP D O 1 +ATOM 4003 C CB . ASP D 4 124 ? -25.150 34.040 -23.501 1.00 43.70 ? 130 ASP D CB 1 +ATOM 4004 C CG . ASP D 4 124 ? -23.710 34.577 -23.509 1.00 42.97 ? 130 ASP D CG 1 +ATOM 4005 O OD1 . ASP D 4 124 ? -23.495 35.799 -23.481 1.00 46.72 ? 130 ASP D OD1 1 +ATOM 4006 O OD2 . ASP D 4 124 ? -22.765 33.760 -23.551 1.00 47.32 ? 130 ASP D OD2 1 +ATOM 4007 N N . SER D 4 125 ? -25.622 37.252 -23.482 1.00 55.03 ? 131 SER D N 1 +ATOM 4008 C CA . SER D 4 125 ? -25.668 38.474 -24.268 1.00 54.81 ? 131 SER D CA 1 +ATOM 4009 C C . SER D 4 125 ? -25.373 38.105 -25.710 1.00 56.18 ? 131 SER D C 1 +ATOM 4010 O O . SER D 4 125 ? -25.831 38.772 -26.624 1.00 51.77 ? 131 SER D O 1 +ATOM 4011 C CB . SER D 4 125 ? -24.591 39.440 -23.759 1.00 54.44 ? 131 SER D CB 1 +ATOM 4012 O OG . SER D 4 125 ? -24.235 40.401 -24.735 1.00 61.37 ? 131 SER D OG 1 +ATOM 4013 N N . LYS D 4 126 ? -24.622 37.015 -25.872 1.00 61.79 ? 132 LYS D N 1 +ATOM 4014 C CA . LYS D 4 126 ? -24.224 36.507 -27.180 1.00 73.44 ? 132 LYS D CA 1 +ATOM 4015 C C . LYS D 4 126 ? -24.760 35.084 -27.447 1.00 78.11 ? 132 LYS D C 1 +ATOM 4016 O O . LYS D 4 126 ? -24.349 34.487 -28.467 1.00 87.04 ? 132 LYS D O 1 +ATOM 4017 C CB . LYS D 4 126 ? -22.694 36.536 -27.293 1.00 71.58 ? 132 LYS D CB 1 +ATOM 4018 N N . SER D 4 131 ? -27.272 29.532 -21.026 1.00 66.01 ? 137 SER D N 1 +ATOM 4019 C CA . SER D 4 131 ? -28.287 29.833 -19.975 1.00 61.13 ? 137 SER D CA 1 +ATOM 4020 C C . SER D 4 131 ? -27.807 29.475 -18.570 1.00 58.37 ? 137 SER D C 1 +ATOM 4021 O O . SER D 4 131 ? -27.213 28.413 -18.358 1.00 59.57 ? 137 SER D O 1 +ATOM 4022 C CB . SER D 4 131 ? -29.597 29.098 -20.286 1.00 55.52 ? 137 SER D CB 1 +ATOM 4023 N N . VAL D 4 132 ? -28.023 30.395 -17.634 1.00 55.30 ? 138 VAL D N 1 +ATOM 4024 C CA . VAL D 4 132 ? -27.667 30.191 -16.229 1.00 52.57 ? 138 VAL D CA 1 +ATOM 4025 C C . VAL D 4 132 ? -28.930 30.447 -15.397 1.00 52.99 ? 138 VAL D C 1 +ATOM 4026 O O . VAL D 4 132 ? -29.728 31.319 -15.737 1.00 59.80 ? 138 VAL D O 1 +ATOM 4027 C CB . VAL D 4 132 ? -26.541 31.160 -15.750 1.00 47.68 ? 138 VAL D CB 1 +ATOM 4028 C CG1 . VAL D 4 132 ? -25.250 30.906 -16.506 1.00 51.31 ? 138 VAL D CG1 1 +ATOM 4029 C CG2 . VAL D 4 132 ? -26.960 32.595 -15.920 1.00 42.99 ? 138 VAL D CG2 1 +ATOM 4030 N N . CYS D 4 133 ? -29.162 29.628 -14.380 1.00 49.68 ? 139 CYS D N 1 +ATOM 4031 C CA . CYS D 4 133 ? -30.312 29.782 -13.502 1.00 45.90 ? 139 CYS D CA 1 +ATOM 4032 C C . CYS D 4 133 ? -29.979 30.628 -12.287 1.00 43.60 ? 139 CYS D C 1 +ATOM 4033 O O . CYS D 4 133 ? -29.036 30.327 -11.554 1.00 40.18 ? 139 CYS D O 1 +ATOM 4034 C CB . CYS D 4 133 ? -30.791 28.417 -13.031 1.00 51.84 ? 139 CYS D CB 1 +ATOM 4035 S SG . CYS D 4 133 ? -31.311 27.348 -14.396 1.00 56.31 ? 139 CYS D SG 1 +ATOM 4036 N N . LEU D 4 134 ? -30.764 31.674 -12.069 1.00 39.30 ? 140 LEU D N 1 +ATOM 4037 C CA . LEU D 4 134 ? -30.570 32.560 -10.934 1.00 36.02 ? 140 LEU D CA 1 +ATOM 4038 C C . LEU D 4 134 ? -31.685 32.349 -9.909 1.00 41.82 ? 140 LEU D C 1 +ATOM 4039 O O . LEU D 4 134 ? -32.863 32.579 -10.214 1.00 45.30 ? 140 LEU D O 1 +ATOM 4040 C CB . LEU D 4 134 ? -30.564 34.015 -11.407 1.00 31.18 ? 140 LEU D CB 1 +ATOM 4041 C CG . LEU D 4 134 ? -30.607 35.135 -10.357 1.00 34.63 ? 140 LEU D CG 1 +ATOM 4042 C CD1 . LEU D 4 134 ? -29.252 35.313 -9.676 1.00 22.09 ? 140 LEU D CD1 1 +ATOM 4043 C CD2 . LEU D 4 134 ? -31.029 36.439 -11.030 1.00 36.88 ? 140 LEU D CD2 1 +ATOM 4044 N N . PHE D 4 135 ? -31.308 31.835 -8.732 1.00 42.10 ? 141 PHE D N 1 +ATOM 4045 C CA . PHE D 4 135 ? -32.214 31.588 -7.595 1.00 35.31 ? 141 PHE D CA 1 +ATOM 4046 C C . PHE D 4 135 ? -31.962 32.814 -6.743 1.00 34.56 ? 141 PHE D C 1 +ATOM 4047 O O . PHE D 4 135 ? -30.878 32.974 -6.180 1.00 33.67 ? 141 PHE D O 1 +ATOM 4048 C CB . PHE D 4 135 ? -31.801 30.310 -6.839 1.00 33.64 ? 141 PHE D CB 1 +ATOM 4049 C CG . PHE D 4 135 ? -32.610 30.022 -5.593 1.00 26.48 ? 141 PHE D CG 1 +ATOM 4050 C CD1 . PHE D 4 135 ? -33.978 30.274 -5.547 1.00 32.37 ? 141 PHE D CD1 1 +ATOM 4051 C CD2 . PHE D 4 135 ? -31.995 29.471 -4.469 1.00 27.82 ? 141 PHE D CD2 1 +ATOM 4052 C CE1 . PHE D 4 135 ? -34.732 29.983 -4.399 1.00 30.01 ? 141 PHE D CE1 1 +ATOM 4053 C CE2 . PHE D 4 135 ? -32.733 29.174 -3.317 1.00 34.01 ? 141 PHE D CE2 1 +ATOM 4054 C CZ . PHE D 4 135 ? -34.109 29.432 -3.283 1.00 29.91 ? 141 PHE D CZ 1 +ATOM 4055 N N . THR D 4 136 ? -32.960 33.677 -6.648 1.00 32.75 ? 142 THR D N 1 +ATOM 4056 C CA . THR D 4 136 ? -32.796 34.919 -5.928 1.00 32.06 ? 142 THR D CA 1 +ATOM 4057 C C . THR D 4 136 ? -34.027 35.271 -5.107 1.00 38.15 ? 142 THR D C 1 +ATOM 4058 O O . THR D 4 136 ? -35.034 34.553 -5.139 1.00 37.45 ? 142 THR D O 1 +ATOM 4059 C CB . THR D 4 136 ? -32.500 36.050 -6.961 1.00 30.99 ? 142 THR D CB 1 +ATOM 4060 O OG1 . THR D 4 136 ? -32.058 37.252 -6.302 1.00 33.63 ? 142 THR D OG1 1 +ATOM 4061 C CG2 . THR D 4 136 ? -33.740 36.333 -7.832 1.00 20.85 ? 142 THR D CG2 1 +ATOM 4062 N N . ASP D 4 137 ? -33.899 36.354 -4.335 1.00 44.05 ? 143 ASP D N 1 +ATOM 4063 C CA . ASP D 4 137 ? -34.958 36.915 -3.485 1.00 46.42 ? 143 ASP D CA 1 +ATOM 4064 C C . ASP D 4 137 ? -35.431 36.031 -2.350 1.00 47.22 ? 143 ASP D C 1 +ATOM 4065 O O . ASP D 4 137 ? -36.451 36.333 -1.716 1.00 48.82 ? 143 ASP D O 1 +ATOM 4066 C CB . ASP D 4 137 ? -36.180 37.337 -4.329 1.00 50.12 ? 143 ASP D CB 1 +ATOM 4067 C CG . ASP D 4 137 ? -35.900 38.533 -5.234 1.00 48.90 ? 143 ASP D CG 1 +ATOM 4068 O OD1 . ASP D 4 137 ? -34.860 39.195 -5.038 1.00 50.13 ? 143 ASP D OD1 1 +ATOM 4069 O OD2 . ASP D 4 137 ? -36.726 38.808 -6.135 1.00 44.68 ? 143 ASP D OD2 1 +ATOM 4070 N N . PHE D 4 138 ? -34.719 34.934 -2.106 1.00 47.67 ? 144 PHE D N 1 +ATOM 4071 C CA . PHE D 4 138 ? -35.105 34.010 -1.043 1.00 49.81 ? 144 PHE D CA 1 +ATOM 4072 C C . PHE D 4 138 ? -34.782 34.502 0.373 1.00 54.02 ? 144 PHE D C 1 +ATOM 4073 O O . PHE D 4 138 ? -34.138 35.552 0.550 1.00 53.74 ? 144 PHE D O 1 +ATOM 4074 C CB . PHE D 4 138 ? -34.566 32.582 -1.294 1.00 41.75 ? 144 PHE D CB 1 +ATOM 4075 C CG . PHE D 4 138 ? -33.083 32.502 -1.511 1.00 38.59 ? 144 PHE D CG 1 +ATOM 4076 C CD1 . PHE D 4 138 ? -32.210 32.378 -0.433 1.00 42.40 ? 144 PHE D CD1 1 +ATOM 4077 C CD2 . PHE D 4 138 ? -32.560 32.526 -2.799 1.00 39.81 ? 144 PHE D CD2 1 +ATOM 4078 C CE1 . PHE D 4 138 ? -30.833 32.281 -0.639 1.00 43.97 ? 144 PHE D CE1 1 +ATOM 4079 C CE2 . PHE D 4 138 ? -31.195 32.432 -3.019 1.00 39.49 ? 144 PHE D CE2 1 +ATOM 4080 C CZ . PHE D 4 138 ? -30.324 32.308 -1.936 1.00 42.26 ? 144 PHE D CZ 1 +ATOM 4081 N N . ASP D 4 139 ? -35.296 33.779 1.370 1.00 58.88 ? 145 ASP D N 1 +ATOM 4082 C CA . ASP D 4 139 ? -35.070 34.130 2.766 1.00 62.55 ? 145 ASP D CA 1 +ATOM 4083 C C . ASP D 4 139 ? -33.716 33.612 3.220 1.00 62.23 ? 145 ASP D C 1 +ATOM 4084 O O . ASP D 4 139 ? -33.306 32.510 2.842 1.00 60.60 ? 145 ASP D O 1 +ATOM 4085 C CB . ASP D 4 139 ? -36.157 33.526 3.667 1.00 69.87 ? 145 ASP D CB 1 +ATOM 4086 C CG . ASP D 4 139 ? -36.244 34.222 5.035 1.00 74.49 ? 145 ASP D CG 1 +ATOM 4087 O OD1 . ASP D 4 139 ? -36.511 35.444 5.063 1.00 76.84 ? 145 ASP D OD1 1 +ATOM 4088 O OD2 . ASP D 4 139 ? -36.053 33.559 6.078 1.00 77.25 ? 145 ASP D OD2 1 +ATOM 4089 N N . SER D 4 140 ? -33.065 34.380 4.092 1.00 62.21 ? 146 SER D N 1 +ATOM 4090 C CA . SER D 4 140 ? -31.758 34.029 4.652 1.00 59.13 ? 146 SER D CA 1 +ATOM 4091 C C . SER D 4 140 ? -31.851 32.761 5.522 1.00 53.53 ? 146 SER D C 1 +ATOM 4092 O O . SER D 4 140 ? -30.895 32.345 6.177 1.00 45.77 ? 146 SER D O 1 +ATOM 4093 C CB . SER D 4 140 ? -31.185 35.230 5.444 1.00 59.22 ? 146 SER D CB 1 +ATOM 4094 O OG . SER D 4 140 ? -30.930 36.361 4.608 1.00 54.44 ? 146 SER D OG 1 +ATOM 4095 N N . GLN D 4 141 ? -33.010 32.123 5.470 1.00 54.88 ? 147 GLN D N 1 +ATOM 4096 C CA . GLN D 4 141 ? -33.311 30.902 6.199 1.00 63.83 ? 147 GLN D CA 1 +ATOM 4097 C C . GLN D 4 141 ? -32.951 29.694 5.340 1.00 64.71 ? 147 GLN D C 1 +ATOM 4098 O O . GLN D 4 141 ? -32.523 28.656 5.868 1.00 64.30 ? 147 GLN D O 1 +ATOM 4099 C CB . GLN D 4 141 ? -34.810 30.833 6.433 1.00 72.32 ? 147 GLN D CB 1 +ATOM 4100 C CG . GLN D 4 141 ? -35.209 30.585 7.862 1.00 86.51 ? 147 GLN D CG 1 +ATOM 4101 C CD . GLN D 4 141 ? -36.675 30.629 8.024 1.00 93.13 ? 147 GLN D CD 1 +ATOM 4102 O OE1 . GLN D 4 141 ? -37.257 31.712 8.229 1.00 96.59 ? 147 GLN D OE1 1 +ATOM 4103 N NE2 . GLN D 4 141 ? -37.354 29.468 7.886 1.00 97.03 ? 147 GLN D NE2 1 +ATOM 4104 N N . THR D 4 142 ? -33.142 29.838 4.026 1.00 65.31 ? 148 THR D N 1 +ATOM 4105 C CA . THR D 4 142 ? -32.857 28.800 3.040 1.00 61.63 ? 148 THR D CA 1 +ATOM 4106 C C . THR D 4 142 ? -31.365 28.678 2.803 1.00 63.43 ? 148 THR D C 1 +ATOM 4107 O O . THR D 4 142 ? -30.715 29.631 2.406 1.00 65.00 ? 148 THR D O 1 +ATOM 4108 C CB . THR D 4 142 ? -33.563 29.106 1.715 1.00 56.66 ? 148 THR D CB 1 +ATOM 4109 O OG1 . THR D 4 142 ? -34.901 29.515 1.999 1.00 53.75 ? 148 THR D OG1 1 +ATOM 4110 C CG2 . THR D 4 142 ? -33.558 27.858 0.838 1.00 52.94 ? 148 THR D CG2 1 +ATOM 4111 N N . ASN D 4 143 ? -30.841 27.460 2.961 1.00 66.27 ? 149 ASN D N 1 +ATOM 4112 C CA . ASN D 4 143 ? -29.391 27.221 2.859 1.00 65.41 ? 149 ASN D CA 1 +ATOM 4113 C C . ASN D 4 143 ? -28.679 27.098 1.521 1.00 67.35 ? 149 ASN D C 1 +ATOM 4114 O O . ASN D 4 143 ? -27.504 27.439 1.443 1.00 73.65 ? 149 ASN D O 1 +ATOM 4115 C CB . ASN D 4 143 ? -28.966 26.085 3.773 1.00 57.49 ? 149 ASN D CB 1 +ATOM 4116 C CG . ASN D 4 143 ? -28.979 26.485 5.230 1.00 54.53 ? 149 ASN D CG 1 +ATOM 4117 O OD1 . ASN D 4 143 ? -28.130 27.266 5.683 1.00 46.13 ? 149 ASN D OD1 1 +ATOM 4118 N ND2 . ASN D 4 143 ? -29.922 25.942 5.980 1.00 53.63 ? 149 ASN D ND2 1 +ATOM 4119 N N . VAL D 4 144 ? -29.344 26.622 0.477 1.00 63.71 ? 150 VAL D N 1 +ATOM 4120 C CA . VAL D 4 144 ? -28.697 26.430 -0.851 1.00 60.47 ? 150 VAL D CA 1 +ATOM 4121 C C . VAL D 4 144 ? -27.754 25.258 -0.924 1.00 60.31 ? 150 VAL D C 1 +ATOM 4122 O O . VAL D 4 144 ? -26.608 25.274 -0.457 1.00 57.89 ? 150 VAL D O 1 +ATOM 4123 C CB . VAL D 4 144 ? -28.032 27.688 -1.480 1.00 58.82 ? 150 VAL D CB 1 +ATOM 4124 C CG1 . VAL D 4 144 ? -26.565 27.856 -1.088 1.00 59.73 ? 150 VAL D CG1 1 +ATOM 4125 C CG2 . VAL D 4 144 ? -28.116 27.548 -2.983 1.00 59.53 ? 150 VAL D CG2 1 +ATOM 4126 N N . SER D 4 145 ? -28.267 24.220 -1.535 1.00 64.15 ? 151 SER D N 1 +ATOM 4127 C CA . SER D 4 145 ? -27.547 22.997 -1.721 1.00 67.91 ? 151 SER D CA 1 +ATOM 4128 C C . SER D 4 145 ? -26.740 23.032 -2.993 1.00 71.39 ? 151 SER D C 1 +ATOM 4129 O O . SER D 4 145 ? -27.234 23.456 -4.040 1.00 73.52 ? 151 SER D O 1 +ATOM 4130 C CB . SER D 4 145 ? -28.557 21.927 -1.848 1.00 66.78 ? 151 SER D CB 1 +ATOM 4131 O OG . SER D 4 145 ? -29.568 22.426 -2.735 1.00 68.02 ? 151 SER D OG 1 +ATOM 4132 N N . GLN D 4 146 ? -25.549 22.458 -2.936 1.00 75.03 ? 152 GLN D N 1 +ATOM 4133 C CA . GLN D 4 146 ? -24.696 22.463 -4.100 1.00 81.22 ? 152 GLN D CA 1 +ATOM 4134 C C . GLN D 4 146 ? -25.041 21.375 -5.118 1.00 84.18 ? 152 GLN D C 1 +ATOM 4135 O O . GLN D 4 146 ? -26.044 20.661 -4.982 1.00 86.52 ? 152 GLN D O 1 +ATOM 4136 C CB . GLN D 4 146 ? -23.226 22.368 -3.696 1.00 80.93 ? 152 GLN D CB 1 +ATOM 4137 C CG . GLN D 4 146 ? -22.351 23.154 -4.634 1.00 84.76 ? 152 GLN D CG 1 +ATOM 4138 C CD . GLN D 4 146 ? -20.943 23.259 -4.163 1.00 87.61 ? 152 GLN D CD 1 +ATOM 4139 O OE1 . GLN D 4 146 ? -20.148 22.338 -4.343 1.00 92.70 ? 152 GLN D OE1 1 +ATOM 4140 N NE2 . GLN D 4 146 ? -20.604 24.398 -3.573 1.00 88.99 ? 152 GLN D NE2 1 +ATOM 4141 N N . SER D 4 147 ? -24.224 21.308 -6.168 1.00 86.01 ? 153 SER D N 1 +ATOM 4142 C CA . SER D 4 147 ? -24.355 20.347 -7.270 1.00 85.05 ? 153 SER D CA 1 +ATOM 4143 C C . SER D 4 147 ? -24.605 18.908 -6.793 1.00 82.01 ? 153 SER D C 1 +ATOM 4144 O O . SER D 4 147 ? -24.042 18.485 -5.783 1.00 84.24 ? 153 SER D O 1 +ATOM 4145 C CB . SER D 4 147 ? -23.055 20.401 -8.091 1.00 86.46 ? 153 SER D CB 1 +ATOM 4146 O OG . SER D 4 147 ? -22.311 21.586 -7.824 1.00 83.41 ? 153 SER D OG 1 +ATOM 4147 N N . LYS D 4 148 ? -25.434 18.163 -7.519 1.00 77.37 ? 154 LYS D N 1 +ATOM 4148 C CA . LYS D 4 148 ? -25.722 16.753 -7.198 1.00 70.55 ? 154 LYS D CA 1 +ATOM 4149 C C . LYS D 4 148 ? -25.069 15.927 -8.292 1.00 67.13 ? 154 LYS D C 1 +ATOM 4150 O O . LYS D 4 148 ? -24.401 14.916 -8.043 1.00 63.76 ? 154 LYS D O 1 +ATOM 4151 C CB . LYS D 4 148 ? -27.251 16.520 -7.214 1.00 69.37 ? 154 LYS D CB 1 +ATOM 4152 N N . ASP D 4 149 ? -25.158 16.455 -9.498 1.00 63.13 ? 155 ASP D N 1 +ATOM 4153 C CA . ASP D 4 149 ? -24.658 15.897 -10.711 1.00 57.75 ? 155 ASP D CA 1 +ATOM 4154 C C . ASP D 4 149 ? -23.329 16.622 -10.906 1.00 55.60 ? 155 ASP D C 1 +ATOM 4155 O O . ASP D 4 149 ? -23.317 17.848 -11.051 1.00 55.83 ? 155 ASP D O 1 +ATOM 4156 C CB . ASP D 4 149 ? -25.599 16.316 -11.828 1.00 62.70 ? 155 ASP D CB 1 +ATOM 4157 C CG . ASP D 4 149 ? -25.308 15.592 -13.109 1.00 65.37 ? 155 ASP D CG 1 +ATOM 4158 O OD1 . ASP D 4 149 ? -24.112 15.452 -13.456 1.00 67.85 ? 155 ASP D OD1 1 +ATOM 4159 O OD2 . ASP D 4 149 ? -26.294 15.128 -13.755 1.00 60.67 ? 155 ASP D OD2 1 +ATOM 4160 N N . SER D 4 150 ? -22.246 15.878 -11.083 1.00 54.10 ? 156 SER D N 1 +ATOM 4161 C CA . SER D 4 150 ? -20.917 16.479 -11.251 1.00 58.15 ? 156 SER D CA 1 +ATOM 4162 C C . SER D 4 150 ? -20.783 17.428 -12.451 1.00 60.82 ? 156 SER D C 1 +ATOM 4163 O O . SER D 4 150 ? -19.890 18.270 -12.472 1.00 63.25 ? 156 SER D O 1 +ATOM 4164 C CB . SER D 4 150 ? -19.864 15.363 -11.346 1.00 59.24 ? 156 SER D CB 1 +ATOM 4165 N N . ASP D 4 151 ? -21.671 17.285 -13.434 1.00 61.98 ? 157 ASP D N 1 +ATOM 4166 C CA . ASP D 4 151 ? -21.641 18.114 -14.650 1.00 61.23 ? 157 ASP D CA 1 +ATOM 4167 C C . ASP D 4 151 ? -22.595 19.306 -14.587 1.00 52.20 ? 157 ASP D C 1 +ATOM 4168 O O . ASP D 4 151 ? -23.035 19.805 -15.619 1.00 48.42 ? 157 ASP D O 1 +ATOM 4169 C CB . ASP D 4 151 ? -22.002 17.270 -15.889 1.00 72.42 ? 157 ASP D CB 1 +ATOM 4170 C CG . ASP D 4 151 ? -21.056 16.103 -16.119 1.00 81.51 ? 157 ASP D CG 1 +ATOM 4171 O OD1 . ASP D 4 151 ? -19.847 16.218 -15.761 1.00 87.89 ? 157 ASP D OD1 1 +ATOM 4172 O OD2 . ASP D 4 151 ? -21.533 15.077 -16.688 1.00 83.64 ? 157 ASP D OD2 1 +ATOM 4173 N N . VAL D 4 152 ? -22.940 19.731 -13.381 1.00 44.54 ? 158 VAL D N 1 +ATOM 4174 C CA . VAL D 4 152 ? -23.862 20.838 -13.204 1.00 46.01 ? 158 VAL D CA 1 +ATOM 4175 C C . VAL D 4 152 ? -23.342 21.668 -12.049 1.00 47.36 ? 158 VAL D C 1 +ATOM 4176 O O . VAL D 4 152 ? -23.242 21.150 -10.935 1.00 53.09 ? 158 VAL D O 1 +ATOM 4177 C CB . VAL D 4 152 ? -25.263 20.323 -12.817 1.00 40.31 ? 158 VAL D CB 1 +ATOM 4178 C CG1 . VAL D 4 152 ? -26.278 21.394 -13.032 1.00 46.43 ? 158 VAL D CG1 1 +ATOM 4179 C CG2 . VAL D 4 152 ? -25.621 19.126 -13.622 1.00 38.69 ? 158 VAL D CG2 1 +ATOM 4180 N N . TYR D 4 153 ? -23.075 22.954 -12.284 1.00 43.27 ? 159 TYR D N 1 +ATOM 4181 C CA . TYR D 4 153 ? -22.525 23.820 -11.239 1.00 41.09 ? 159 TYR D CA 1 +ATOM 4182 C C . TYR D 4 153 ? -23.475 24.767 -10.506 1.00 37.95 ? 159 TYR D C 1 +ATOM 4183 O O . TYR D 4 153 ? -24.263 25.472 -11.114 1.00 36.45 ? 159 TYR D O 1 +ATOM 4184 C CB . TYR D 4 153 ? -21.343 24.608 -11.796 1.00 43.80 ? 159 TYR D CB 1 +ATOM 4185 C CG . TYR D 4 153 ? -20.383 23.731 -12.543 1.00 43.92 ? 159 TYR D CG 1 +ATOM 4186 C CD1 . TYR D 4 153 ? -19.431 22.974 -11.865 1.00 41.04 ? 159 TYR D CD1 1 +ATOM 4187 C CD2 . TYR D 4 153 ? -20.486 23.580 -13.920 1.00 46.30 ? 159 TYR D CD2 1 +ATOM 4188 C CE1 . TYR D 4 153 ? -18.618 22.075 -12.536 1.00 45.33 ? 159 TYR D CE1 1 +ATOM 4189 C CE2 . TYR D 4 153 ? -19.668 22.678 -14.609 1.00 47.22 ? 159 TYR D CE2 1 +ATOM 4190 C CZ . TYR D 4 153 ? -18.740 21.926 -13.911 1.00 42.90 ? 159 TYR D CZ 1 +ATOM 4191 O OH . TYR D 4 153 ? -17.970 20.997 -14.583 1.00 44.67 ? 159 TYR D OH 1 +ATOM 4192 N N . ILE D 4 154 ? -23.371 24.793 -9.185 1.00 38.17 ? 160 ILE D N 1 +ATOM 4193 C CA . ILE D 4 154 ? -24.211 25.660 -8.359 1.00 37.75 ? 160 ILE D CA 1 +ATOM 4194 C C . ILE D 4 154 ? -23.257 26.436 -7.463 1.00 37.94 ? 160 ILE D C 1 +ATOM 4195 O O . ILE D 4 154 ? -22.303 25.861 -6.939 1.00 39.89 ? 160 ILE D O 1 +ATOM 4196 C CB . ILE D 4 154 ? -25.217 24.843 -7.475 1.00 33.42 ? 160 ILE D CB 1 +ATOM 4197 C CG1 . ILE D 4 154 ? -25.982 23.821 -8.327 1.00 29.82 ? 160 ILE D CG1 1 +ATOM 4198 C CG2 . ILE D 4 154 ? -26.216 25.782 -6.806 1.00 31.46 ? 160 ILE D CG2 1 +ATOM 4199 C CD1 . ILE D 4 154 ? -27.122 23.122 -7.599 1.00 22.62 ? 160 ILE D CD1 1 +ATOM 4200 N N . THR D 4 155 ? -23.486 27.737 -7.312 1.00 37.40 ? 161 THR D N 1 +ATOM 4201 C CA . THR D 4 155 ? -22.623 28.574 -6.486 1.00 37.67 ? 161 THR D CA 1 +ATOM 4202 C C . THR D 4 155 ? -23.173 28.705 -5.067 1.00 41.30 ? 161 THR D C 1 +ATOM 4203 O O . THR D 4 155 ? -24.354 28.438 -4.830 1.00 40.15 ? 161 THR D O 1 +ATOM 4204 C CB . THR D 4 155 ? -22.464 29.976 -7.104 1.00 35.98 ? 161 THR D CB 1 +ATOM 4205 O OG1 . THR D 4 155 ? -23.740 30.624 -7.191 1.00 35.51 ? 161 THR D OG1 1 +ATOM 4206 C CG2 . THR D 4 155 ? -21.890 29.866 -8.496 1.00 38.05 ? 161 THR D CG2 1 +ATOM 4207 N N . ASP D 4 156 ? -22.313 29.086 -4.123 1.00 45.51 ? 162 ASP D N 1 +ATOM 4208 C CA . ASP D 4 156 ? -22.739 29.264 -2.737 1.00 52.05 ? 162 ASP D CA 1 +ATOM 4209 C C . ASP D 4 156 ? -23.423 30.625 -2.602 1.00 52.64 ? 162 ASP D C 1 +ATOM 4210 O O . ASP D 4 156 ? -22.952 31.625 -3.162 1.00 51.94 ? 162 ASP D O 1 +ATOM 4211 C CB . ASP D 4 156 ? -21.556 29.124 -1.759 1.00 54.63 ? 162 ASP D CB 1 +ATOM 4212 C CG . ASP D 4 156 ? -21.236 27.659 -1.424 1.00 60.83 ? 162 ASP D CG 1 +ATOM 4213 O OD1 . ASP D 4 156 ? -22.178 26.827 -1.353 1.00 64.70 ? 162 ASP D OD1 1 +ATOM 4214 O OD2 . ASP D 4 156 ? -20.046 27.333 -1.219 1.00 63.17 ? 162 ASP D OD2 1 +ATOM 4215 N N . LYS D 4 157 ? -24.559 30.634 -1.906 1.00 51.38 ? 163 LYS D N 1 +ATOM 4216 C CA . LYS D 4 157 ? -25.350 31.844 -1.708 1.00 50.13 ? 163 LYS D CA 1 +ATOM 4217 C C . LYS D 4 157 ? -24.562 33.057 -1.206 1.00 49.01 ? 163 LYS D C 1 +ATOM 4218 O O . LYS D 4 157 ? -23.632 32.922 -0.412 1.00 52.16 ? 163 LYS D O 1 +ATOM 4219 C CB . LYS D 4 157 ? -26.533 31.551 -0.778 1.00 45.56 ? 163 LYS D CB 1 +ATOM 4220 N N . THR D 4 158 ? -24.915 34.232 -1.724 1.00 48.52 ? 164 THR D N 1 +ATOM 4221 C CA . THR D 4 158 ? -24.301 35.495 -1.329 1.00 46.88 ? 164 THR D CA 1 +ATOM 4222 C C . THR D 4 158 ? -25.408 36.529 -1.167 1.00 44.46 ? 164 THR D C 1 +ATOM 4223 O O . THR D 4 158 ? -26.560 36.294 -1.520 1.00 46.08 ? 164 THR D O 1 +ATOM 4224 C CB . THR D 4 158 ? -23.265 36.031 -2.366 1.00 49.98 ? 164 THR D CB 1 +ATOM 4225 O OG1 . THR D 4 158 ? -23.914 36.323 -3.611 1.00 53.10 ? 164 THR D OG1 1 +ATOM 4226 C CG2 . THR D 4 158 ? -22.145 35.033 -2.588 1.00 53.67 ? 164 THR D CG2 1 +ATOM 4227 N N . VAL D 4 159 ? -25.040 37.700 -0.681 1.00 44.27 ? 165 VAL D N 1 +ATOM 4228 C CA . VAL D 4 159 ? -26.010 38.753 -0.457 1.00 42.04 ? 165 VAL D CA 1 +ATOM 4229 C C . VAL D 4 159 ? -25.596 40.038 -1.174 1.00 39.80 ? 165 VAL D C 1 +ATOM 4230 O O . VAL D 4 159 ? -24.454 40.465 -1.026 1.00 40.25 ? 165 VAL D O 1 +ATOM 4231 C CB . VAL D 4 159 ? -26.092 39.051 1.052 1.00 40.17 ? 165 VAL D CB 1 +ATOM 4232 C CG1 . VAL D 4 159 ? -27.257 39.979 1.347 1.00 42.10 ? 165 VAL D CG1 1 +ATOM 4233 C CG2 . VAL D 4 159 ? -26.210 37.759 1.837 1.00 37.73 ? 165 VAL D CG2 1 +ATOM 4234 N N . LEU D 4 160 ? -26.504 40.644 -1.948 1.00 36.12 ? 166 LEU D N 1 +ATOM 4235 C CA . LEU D 4 160 ? -26.212 41.913 -2.634 1.00 35.16 ? 166 LEU D CA 1 +ATOM 4236 C C . LEU D 4 160 ? -27.038 43.084 -2.093 1.00 34.88 ? 166 LEU D C 1 +ATOM 4237 O O . LEU D 4 160 ? -28.250 42.984 -1.896 1.00 32.93 ? 166 LEU D O 1 +ATOM 4238 C CB . LEU D 4 160 ? -26.353 41.795 -4.163 1.00 39.17 ? 166 LEU D CB 1 +ATOM 4239 C CG . LEU D 4 160 ? -27.658 41.839 -4.958 1.00 36.92 ? 166 LEU D CG 1 +ATOM 4240 C CD1 . LEU D 4 160 ? -28.226 43.250 -5.005 1.00 34.01 ? 166 LEU D CD1 1 +ATOM 4241 C CD2 . LEU D 4 160 ? -27.337 41.367 -6.368 1.00 42.72 ? 166 LEU D CD2 1 +ATOM 4242 N N . ASP D 4 161 ? -26.363 44.201 -1.886 1.00 37.14 ? 167 ASP D N 1 +ATOM 4243 C CA . ASP D 4 161 ? -26.974 45.383 -1.343 1.00 43.19 ? 167 ASP D CA 1 +ATOM 4244 C C . ASP D 4 161 ? -27.144 46.541 -2.331 1.00 46.77 ? 167 ASP D C 1 +ATOM 4245 O O . ASP D 4 161 ? -26.345 46.735 -3.243 1.00 48.39 ? 167 ASP D O 1 +ATOM 4246 C CB . ASP D 4 161 ? -26.134 45.795 -0.130 1.00 52.35 ? 167 ASP D CB 1 +ATOM 4247 C CG . ASP D 4 161 ? -26.735 46.939 0.647 1.00 63.33 ? 167 ASP D CG 1 +ATOM 4248 O OD1 . ASP D 4 161 ? -27.883 46.806 1.123 1.00 63.47 ? 167 ASP D OD1 1 +ATOM 4249 O OD2 . ASP D 4 161 ? -26.031 47.958 0.798 1.00 73.27 ? 167 ASP D OD2 1 +ATOM 4250 N N . MET D 4 162 ? -28.218 47.308 -2.162 1.00 51.15 ? 168 MET D N 1 +ATOM 4251 C CA . MET D 4 162 ? -28.551 48.450 -3.007 1.00 55.32 ? 168 MET D CA 1 +ATOM 4252 C C . MET D 4 162 ? -28.832 49.684 -2.187 1.00 61.27 ? 168 MET D C 1 +ATOM 4253 O O . MET D 4 162 ? -29.685 49.691 -1.305 1.00 64.15 ? 168 MET D O 1 +ATOM 4254 C CB . MET D 4 162 ? -29.773 48.106 -3.875 1.00 52.39 ? 168 MET D CB 1 +ATOM 4255 C CG . MET D 4 162 ? -29.570 46.874 -4.787 1.00 51.76 ? 168 MET D CG 1 +ATOM 4256 S SD . MET D 4 162 ? -31.012 46.128 -5.693 1.00 48.79 ? 168 MET D SD 1 +ATOM 4257 C CE . MET D 4 162 ? -31.373 47.321 -6.975 1.00 51.56 ? 168 MET D CE 1 +ATOM 4258 N N . ARG D 4 163 ? -28.292 50.820 -2.623 1.00 68.83 ? 169 ARG D N 1 +ATOM 4259 C CA . ARG D 4 163 ? -28.423 52.046 -1.865 1.00 77.57 ? 169 ARG D CA 1 +ATOM 4260 C C . ARG D 4 163 ? -29.683 52.923 -1.972 1.00 84.12 ? 169 ARG D C 1 +ATOM 4261 O O . ARG D 4 163 ? -29.593 54.047 -2.442 1.00 87.01 ? 169 ARG D O 1 +ATOM 4262 C CB . ARG D 4 163 ? -27.187 52.857 -2.068 1.00 77.60 ? 169 ARG D CB 1 +ATOM 4263 N N . PHE D 4 167 ? -32.166 47.924 -0.855 1.00 50.31 ? 173 PHE D N 1 +ATOM 4264 C CA . PHE D 4 167 ? -32.683 46.550 -1.071 1.00 43.92 ? 173 PHE D CA 1 +ATOM 4265 C C . PHE D 4 167 ? -31.570 45.546 -0.859 1.00 41.57 ? 173 PHE D C 1 +ATOM 4266 O O . PHE D 4 167 ? -30.449 45.751 -1.303 1.00 43.03 ? 173 PHE D O 1 +ATOM 4267 C CB . PHE D 4 167 ? -33.192 46.412 -2.503 1.00 48.64 ? 173 PHE D CB 1 +ATOM 4268 C CG . PHE D 4 167 ? -33.940 45.152 -2.755 1.00 52.10 ? 173 PHE D CG 1 +ATOM 4269 C CD1 . PHE D 4 167 ? -35.282 45.073 -2.426 1.00 56.08 ? 173 PHE D CD1 1 +ATOM 4270 C CD2 . PHE D 4 167 ? -33.311 44.044 -3.309 1.00 53.88 ? 173 PHE D CD2 1 +ATOM 4271 C CE1 . PHE D 4 167 ? -35.996 43.913 -2.639 1.00 61.95 ? 173 PHE D CE1 1 +ATOM 4272 C CE2 . PHE D 4 167 ? -34.013 42.876 -3.530 1.00 57.32 ? 173 PHE D CE2 1 +ATOM 4273 C CZ . PHE D 4 167 ? -35.360 42.806 -3.195 1.00 61.53 ? 173 PHE D CZ 1 +ATOM 4274 N N . LYS D 4 168 ? -31.887 44.465 -0.175 1.00 37.62 ? 174 LYS D N 1 +ATOM 4275 C CA . LYS D 4 168 ? -30.924 43.414 0.050 1.00 35.95 ? 174 LYS D CA 1 +ATOM 4276 C C . LYS D 4 168 ? -31.560 42.163 -0.523 1.00 38.43 ? 174 LYS D C 1 +ATOM 4277 O O . LYS D 4 168 ? -32.765 41.938 -0.323 1.00 36.33 ? 174 LYS D O 1 +ATOM 4278 C CB . LYS D 4 168 ? -30.669 43.227 1.539 1.00 35.55 ? 174 LYS D CB 1 +ATOM 4279 C CG . LYS D 4 168 ? -29.821 44.304 2.144 1.00 36.99 ? 174 LYS D CG 1 +ATOM 4280 C CD . LYS D 4 168 ? -29.064 43.774 3.350 1.00 33.69 ? 174 LYS D CD 1 +ATOM 4281 C CE . LYS D 4 168 ? -27.996 44.774 3.770 1.00 39.27 ? 174 LYS D CE 1 +ATOM 4282 N NZ . LYS D 4 168 ? -26.855 44.149 4.475 1.00 32.91 ? 174 LYS D NZ 1 +ATOM 4283 N N . SER D 4 169 ? -30.797 41.402 -1.307 1.00 38.43 ? 175 SER D N 1 +ATOM 4284 C CA . SER D 4 169 ? -31.305 40.153 -1.888 1.00 33.76 ? 175 SER D CA 1 +ATOM 4285 C C . SER D 4 169 ? -30.330 38.966 -1.790 1.00 29.98 ? 175 SER D C 1 +ATOM 4286 O O . SER D 4 169 ? -29.106 39.141 -1.718 1.00 23.43 ? 175 SER D O 1 +ATOM 4287 C CB . SER D 4 169 ? -31.735 40.369 -3.335 1.00 32.87 ? 175 SER D CB 1 +ATOM 4288 O OG . SER D 4 169 ? -30.692 40.962 -4.090 1.00 50.52 ? 175 SER D OG 1 +ATOM 4289 N N . ASN D 4 170 ? -30.897 37.762 -1.752 1.00 36.06 ? 176 ASN D N 1 +ATOM 4290 C CA . ASN D 4 170 ? -30.119 36.520 -1.660 1.00 42.68 ? 176 ASN D CA 1 +ATOM 4291 C C . ASN D 4 170 ? -30.126 35.839 -3.024 1.00 44.84 ? 176 ASN D C 1 +ATOM 4292 O O . ASN D 4 170 ? -31.207 35.629 -3.603 1.00 44.50 ? 176 ASN D O 1 +ATOM 4293 C CB . ASN D 4 170 ? -30.746 35.568 -0.632 1.00 48.45 ? 176 ASN D CB 1 +ATOM 4294 C CG . ASN D 4 170 ? -30.317 35.862 0.794 1.00 53.33 ? 176 ASN D CG 1 +ATOM 4295 O OD1 . ASN D 4 170 ? -29.127 36.046 1.075 1.00 58.07 ? 176 ASN D OD1 1 +ATOM 4296 N ND2 . ASN D 4 170 ? -31.278 35.859 1.711 1.00 47.24 ? 176 ASN D ND2 1 +ATOM 4297 N N . SER D 4 171 ? -28.944 35.465 -3.519 1.00 43.21 ? 177 SER D N 1 +ATOM 4298 C CA . SER D 4 171 ? -28.827 34.826 -4.827 1.00 38.91 ? 177 SER D CA 1 +ATOM 4299 C C . SER D 4 171 ? -27.806 33.683 -4.901 1.00 36.51 ? 177 SER D C 1 +ATOM 4300 O O . SER D 4 171 ? -26.813 33.674 -4.184 1.00 38.37 ? 177 SER D O 1 +ATOM 4301 C CB . SER D 4 171 ? -28.532 35.897 -5.893 1.00 38.53 ? 177 SER D CB 1 +ATOM 4302 O OG . SER D 4 171 ? -27.695 36.941 -5.393 1.00 43.60 ? 177 SER D OG 1 +ATOM 4303 N N . ALA D 4 172 ? -28.084 32.699 -5.748 1.00 33.63 ? 178 ALA D N 1 +ATOM 4304 C CA . ALA D 4 172 ? -27.197 31.550 -5.962 1.00 30.68 ? 178 ALA D CA 1 +ATOM 4305 C C . ALA D 4 172 ? -27.385 31.219 -7.430 1.00 28.28 ? 178 ALA D C 1 +ATOM 4306 O O . ALA D 4 172 ? -28.511 31.250 -7.912 1.00 30.80 ? 178 ALA D O 1 +ATOM 4307 C CB . ALA D 4 172 ? -27.624 30.380 -5.101 1.00 25.43 ? 178 ALA D CB 1 +ATOM 4308 N N . VAL D 4 173 ? -26.304 30.974 -8.159 1.00 32.17 ? 179 VAL D N 1 +ATOM 4309 C CA . VAL D 4 173 ? -26.424 30.679 -9.593 1.00 39.76 ? 179 VAL D CA 1 +ATOM 4310 C C . VAL D 4 173 ? -26.153 29.213 -9.987 1.00 40.90 ? 179 VAL D C 1 +ATOM 4311 O O . VAL D 4 173 ? -25.279 28.559 -9.414 1.00 41.39 ? 179 VAL D O 1 +ATOM 4312 C CB . VAL D 4 173 ? -25.521 31.627 -10.441 1.00 39.55 ? 179 VAL D CB 1 +ATOM 4313 C CG1 . VAL D 4 173 ? -25.622 31.268 -11.898 1.00 43.06 ? 179 VAL D CG1 1 +ATOM 4314 C CG2 . VAL D 4 173 ? -25.926 33.091 -10.252 1.00 36.85 ? 179 VAL D CG2 1 +ATOM 4315 N N . ALA D 4 174 ? -26.907 28.716 -10.970 1.00 42.60 ? 180 ALA D N 1 +ATOM 4316 C CA . ALA D 4 174 ? -26.769 27.347 -11.476 1.00 43.08 ? 180 ALA D CA 1 +ATOM 4317 C C . ALA D 4 174 ? -26.621 27.279 -13.013 1.00 45.56 ? 180 ALA D C 1 +ATOM 4318 O O . ALA D 4 174 ? -27.407 27.867 -13.757 1.00 42.61 ? 180 ALA D O 1 +ATOM 4319 C CB . ALA D 4 174 ? -27.955 26.505 -11.038 1.00 37.83 ? 180 ALA D CB 1 +ATOM 4320 N N . TRP D 4 175 ? -25.613 26.550 -13.482 1.00 48.44 ? 181 TRP D N 1 +ATOM 4321 C CA . TRP D 4 175 ? -25.374 26.382 -14.919 1.00 49.79 ? 181 TRP D CA 1 +ATOM 4322 C C . TRP D 4 175 ? -24.743 25.015 -15.218 1.00 52.29 ? 181 TRP D C 1 +ATOM 4323 O O . TRP D 4 175 ? -24.040 24.438 -14.383 1.00 50.64 ? 181 TRP D O 1 +ATOM 4324 C CB . TRP D 4 175 ? -24.472 27.496 -15.462 1.00 48.77 ? 181 TRP D CB 1 +ATOM 4325 C CG . TRP D 4 175 ? -23.032 27.345 -15.103 1.00 41.62 ? 181 TRP D CG 1 +ATOM 4326 C CD1 . TRP D 4 175 ? -22.085 26.669 -15.815 1.00 45.22 ? 181 TRP D CD1 1 +ATOM 4327 C CD2 . TRP D 4 175 ? -22.371 27.868 -13.953 1.00 44.06 ? 181 TRP D CD2 1 +ATOM 4328 N NE1 . TRP D 4 175 ? -20.877 26.737 -15.172 1.00 47.99 ? 181 TRP D NE1 1 +ATOM 4329 C CE2 . TRP D 4 175 ? -21.017 27.470 -14.028 1.00 48.59 ? 181 TRP D CE2 1 +ATOM 4330 C CE3 . TRP D 4 175 ? -22.790 28.641 -12.855 1.00 46.73 ? 181 TRP D CE3 1 +ATOM 4331 C CZ2 . TRP D 4 175 ? -20.076 27.816 -13.048 1.00 48.93 ? 181 TRP D CZ2 1 +ATOM 4332 C CZ3 . TRP D 4 175 ? -21.852 28.985 -11.879 1.00 47.38 ? 181 TRP D CZ3 1 +ATOM 4333 C CH2 . TRP D 4 175 ? -20.510 28.572 -11.984 1.00 48.31 ? 181 TRP D CH2 1 +ATOM 4334 N N . SER D 4 176 ? -24.959 24.523 -16.430 1.00 57.61 ? 182 SER D N 1 +ATOM 4335 C CA . SER D 4 176 ? -24.423 23.235 -16.852 1.00 62.28 ? 182 SER D CA 1 +ATOM 4336 C C . SER D 4 176 ? -24.485 23.189 -18.365 1.00 69.51 ? 182 SER D C 1 +ATOM 4337 O O . SER D 4 176 ? -25.449 23.678 -18.963 1.00 74.34 ? 182 SER D O 1 +ATOM 4338 C CB . SER D 4 176 ? -25.278 22.100 -16.279 1.00 57.83 ? 182 SER D CB 1 +ATOM 4339 O OG . SER D 4 176 ? -24.935 20.840 -16.832 1.00 51.05 ? 182 SER D OG 1 +ATOM 4340 N N . ASN D 4 177 ? -23.446 22.648 -18.991 1.00 74.45 ? 183 ASN D N 1 +ATOM 4341 C CA . ASN D 4 177 ? -23.451 22.532 -20.441 1.00 77.22 ? 183 ASN D CA 1 +ATOM 4342 C C . ASN D 4 177 ? -24.020 21.173 -20.801 1.00 78.05 ? 183 ASN D C 1 +ATOM 4343 O O . ASN D 4 177 ? -23.341 20.337 -21.392 1.00 75.90 ? 183 ASN D O 1 +ATOM 4344 C CB . ASN D 4 177 ? -22.062 22.749 -21.069 1.00 78.72 ? 183 ASN D CB 1 +ATOM 4345 C CG . ASN D 4 177 ? -20.945 22.109 -20.276 1.00 81.68 ? 183 ASN D CG 1 +ATOM 4346 O OD1 . ASN D 4 177 ? -19.868 22.688 -20.136 1.00 81.25 ? 183 ASN D OD1 1 +ATOM 4347 N ND2 . ASN D 4 177 ? -21.188 20.917 -19.751 1.00 85.61 ? 183 ASN D ND2 1 +ATOM 4348 N N . LYS D 4 178 ? -25.254 20.943 -20.366 1.00 82.31 ? 184 LYS D N 1 +ATOM 4349 C CA . LYS D 4 178 ? -25.947 19.704 -20.654 1.00 89.58 ? 184 LYS D CA 1 +ATOM 4350 C C . LYS D 4 178 ? -27.076 19.992 -21.635 1.00 93.65 ? 184 LYS D C 1 +ATOM 4351 O O . LYS D 4 178 ? -27.355 21.157 -21.917 1.00 97.52 ? 184 LYS D O 1 +ATOM 4352 C CB . LYS D 4 178 ? -26.418 19.014 -19.372 1.00 89.90 ? 184 LYS D CB 1 +ATOM 4353 C CG . LYS D 4 178 ? -25.305 18.175 -18.755 1.00 91.28 ? 184 LYS D CG 1 +ATOM 4354 C CD . LYS D 4 178 ? -25.813 17.322 -17.629 1.00 96.76 ? 184 LYS D CD 1 +ATOM 4355 C CE . LYS D 4 178 ? -24.983 16.061 -17.482 1.00 99.09 ? 184 LYS D CE 1 +ATOM 4356 N NZ . LYS D 4 178 ? -25.551 15.211 -16.392 1.00 99.99 ? 184 LYS D NZ 1 +ATOM 4357 N N . SER D 4 179 ? -27.755 18.948 -22.115 1.00 96.10 ? 185 SER D N 1 +ATOM 4358 C CA . SER D 4 179 ? -28.809 19.070 -23.134 1.00 97.68 ? 185 SER D CA 1 +ATOM 4359 C C . SER D 4 179 ? -30.073 19.787 -22.664 1.00 99.70 ? 185 SER D C 1 +ATOM 4360 O O . SER D 4 179 ? -30.337 20.928 -23.065 1.00 100.00 ? 185 SER D O 1 +ATOM 4361 C CB . SER D 4 179 ? -29.148 17.691 -23.726 1.00 97.78 ? 185 SER D CB 1 +ATOM 4362 N N . ASP D 4 180 ? -30.849 19.125 -21.805 1.00 99.91 ? 186 ASP D N 1 +ATOM 4363 C CA . ASP D 4 180 ? -32.106 19.671 -21.279 1.00 99.98 ? 186 ASP D CA 1 +ATOM 4364 C C . ASP D 4 180 ? -32.085 19.975 -19.783 1.00 99.53 ? 186 ASP D C 1 +ATOM 4365 O O . ASP D 4 180 ? -33.094 19.825 -19.083 1.00 100.00 ? 186 ASP D O 1 +ATOM 4366 C CB . ASP D 4 180 ? -33.323 18.777 -21.649 1.00 100.00 ? 186 ASP D CB 1 +ATOM 4367 N N . PHE D 4 181 ? -30.896 20.286 -19.264 1.00 95.55 ? 187 PHE D N 1 +ATOM 4368 C CA . PHE D 4 181 ? -30.737 20.647 -17.853 1.00 88.61 ? 187 PHE D CA 1 +ATOM 4369 C C . PHE D 4 181 ? -31.633 21.869 -17.881 1.00 85.15 ? 187 PHE D C 1 +ATOM 4370 O O . PHE D 4 181 ? -31.536 22.666 -18.811 1.00 88.50 ? 187 PHE D O 1 +ATOM 4371 C CB . PHE D 4 181 ? -29.284 21.056 -17.575 1.00 88.19 ? 187 PHE D CB 1 +ATOM 4372 C CG . PHE D 4 181 ? -29.130 22.327 -16.736 1.00 88.69 ? 187 PHE D CG 1 +ATOM 4373 C CD1 . PHE D 4 181 ? -29.482 23.577 -17.251 1.00 91.19 ? 187 PHE D CD1 1 +ATOM 4374 C CD2 . PHE D 4 181 ? -28.585 22.275 -15.457 1.00 90.75 ? 187 PHE D CD2 1 +ATOM 4375 C CE1 . PHE D 4 181 ? -29.308 24.737 -16.524 1.00 93.48 ? 187 PHE D CE1 1 +ATOM 4376 C CE2 . PHE D 4 181 ? -28.401 23.450 -14.708 1.00 92.07 ? 187 PHE D CE2 1 +ATOM 4377 C CZ . PHE D 4 181 ? -28.757 24.676 -15.241 1.00 95.50 ? 187 PHE D CZ 1 +ATOM 4378 N N . ALA D 4 182 ? -32.493 22.026 -16.900 1.00 79.00 ? 188 ALA D N 1 +ATOM 4379 C CA . ALA D 4 182 ? -33.401 23.156 -16.879 1.00 73.74 ? 188 ALA D CA 1 +ATOM 4380 C C . ALA D 4 182 ? -33.474 23.715 -15.502 1.00 71.47 ? 188 ALA D C 1 +ATOM 4381 O O . ALA D 4 182 ? -33.297 22.982 -14.532 1.00 66.77 ? 188 ALA D O 1 +ATOM 4382 C CB . ALA D 4 182 ? -34.790 22.769 -17.402 1.00 77.69 ? 188 ALA D CB 1 +ATOM 4383 N N . CYS D 4 183 ? -33.645 25.029 -15.424 1.00 72.83 ? 189 CYS D N 1 +ATOM 4384 C CA . CYS D 4 183 ? -33.776 25.720 -14.155 1.00 75.94 ? 189 CYS D CA 1 +ATOM 4385 C C . CYS D 4 183 ? -34.670 24.924 -13.219 1.00 79.23 ? 189 CYS D C 1 +ATOM 4386 O O . CYS D 4 183 ? -34.296 24.630 -12.070 1.00 79.10 ? 189 CYS D O 1 +ATOM 4387 C CB . CYS D 4 183 ? -34.301 27.153 -14.350 1.00 69.93 ? 189 CYS D CB 1 +ATOM 4388 S SG . CYS D 4 183 ? -33.020 28.229 -15.050 1.00 65.49 ? 189 CYS D SG 1 +ATOM 4389 N N . ALA D 4 184 ? -35.784 24.462 -13.779 1.00 80.24 ? 190 ALA D N 1 +ATOM 4390 C CA . ALA D 4 184 ? -36.768 23.677 -13.050 1.00 80.12 ? 190 ALA D CA 1 +ATOM 4391 C C . ALA D 4 184 ? -36.116 22.755 -12.015 1.00 80.70 ? 190 ALA D C 1 +ATOM 4392 O O . ALA D 4 184 ? -36.402 22.869 -10.825 1.00 80.38 ? 190 ALA D O 1 +ATOM 4393 C CB . ALA D 4 184 ? -37.607 22.858 -14.044 1.00 80.34 ? 190 ALA D CB 1 +ATOM 4394 N N . ASN D 4 185 ? -35.221 21.877 -12.470 1.00 82.13 ? 191 ASN D N 1 +ATOM 4395 C CA . ASN D 4 185 ? -34.532 20.946 -11.586 1.00 82.63 ? 191 ASN D CA 1 +ATOM 4396 C C . ASN D 4 185 ? -33.326 21.571 -10.897 1.00 83.43 ? 191 ASN D C 1 +ATOM 4397 O O . ASN D 4 185 ? -33.149 21.396 -9.699 1.00 88.93 ? 191 ASN D O 1 +ATOM 4398 C CB . ASN D 4 185 ? -34.106 19.715 -12.353 1.00 82.43 ? 191 ASN D CB 1 +ATOM 4399 N N . ALA D 4 186 ? -32.497 22.276 -11.663 1.00 81.09 ? 192 ALA D N 1 +ATOM 4400 C CA . ALA D 4 186 ? -31.287 22.937 -11.160 1.00 77.91 ? 192 ALA D CA 1 +ATOM 4401 C C . ALA D 4 186 ? -31.019 22.894 -9.653 1.00 78.40 ? 192 ALA D C 1 +ATOM 4402 O O . ALA D 4 186 ? -30.212 22.081 -9.191 1.00 80.50 ? 192 ALA D O 1 +ATOM 4403 C CB . ALA D 4 186 ? -31.232 24.360 -11.673 1.00 74.99 ? 192 ALA D CB 1 +ATOM 4404 N N . PHE D 4 187 ? -31.720 23.738 -8.899 1.00 78.94 ? 193 PHE D N 1 +ATOM 4405 C CA . PHE D 4 187 ? -31.566 23.798 -7.457 1.00 78.98 ? 193 PHE D CA 1 +ATOM 4406 C C . PHE D 4 187 ? -32.434 22.782 -6.738 1.00 79.32 ? 193 PHE D C 1 +ATOM 4407 O O . PHE D 4 187 ? -33.446 23.140 -6.135 1.00 78.70 ? 193 PHE D O 1 +ATOM 4408 C CB . PHE D 4 187 ? -31.876 25.213 -6.920 1.00 78.59 ? 193 PHE D CB 1 +ATOM 4409 C CG . PHE D 4 187 ? -31.071 26.310 -7.563 1.00 78.05 ? 193 PHE D CG 1 +ATOM 4410 C CD1 . PHE D 4 187 ? -31.487 26.886 -8.766 1.00 77.93 ? 193 PHE D CD1 1 +ATOM 4411 C CD2 . PHE D 4 187 ? -29.880 26.747 -6.991 1.00 74.62 ? 193 PHE D CD2 1 +ATOM 4412 C CE1 . PHE D 4 187 ? -30.725 27.870 -9.391 1.00 71.69 ? 193 PHE D CE1 1 +ATOM 4413 C CE2 . PHE D 4 187 ? -29.113 27.728 -7.605 1.00 70.78 ? 193 PHE D CE2 1 +ATOM 4414 C CZ . PHE D 4 187 ? -29.536 28.288 -8.808 1.00 73.94 ? 193 PHE D CZ 1 +ATOM 4415 N N . ASN D 4 188 ? -32.046 21.518 -6.857 1.00 82.55 ? 194 ASN D N 1 +ATOM 4416 C CA . ASN D 4 188 ? -32.739 20.441 -6.208 1.00 83.64 ? 194 ASN D CA 1 +ATOM 4417 C C . ASN D 4 188 ? -32.038 20.164 -4.856 1.00 84.70 ? 194 ASN D C 1 +ATOM 4418 O O . ASN D 4 188 ? -30.901 19.756 -4.817 1.00 84.31 ? 194 ASN D O 1 +ATOM 4419 C CB . ASN D 4 188 ? -32.769 19.183 -7.107 1.00 81.53 ? 194 ASN D CB 1 +ATOM 4420 N N . ASN D 4 189 ? -32.737 20.555 -3.805 1.00 84.45 ? 195 ASN D N 1 +ATOM 4421 C CA . ASN D 4 189 ? -32.452 20.462 -2.334 1.00 81.06 ? 195 ASN D CA 1 +ATOM 4422 C C . ASN D 4 189 ? -32.842 21.824 -1.670 1.00 80.91 ? 195 ASN D C 1 +ATOM 4423 O O . ASN D 4 189 ? -32.434 22.901 -2.138 1.00 74.80 ? 195 ASN D O 1 +ATOM 4424 C CB . ASN D 4 189 ? -30.972 20.270 -1.948 1.00 77.97 ? 195 ASN D CB 1 +ATOM 4425 C CG . ASN D 4 189 ? -30.252 19.107 -2.665 1.00 73.56 ? 195 ASN D CG 1 +ATOM 4426 O OD1 . ASN D 4 189 ? -30.674 17.935 -2.666 1.00 78.93 ? 195 ASN D OD1 1 +ATOM 4427 N ND2 . ASN D 4 189 ? -29.120 19.426 -3.275 1.00 72.56 ? 195 ASN D ND2 1 +ATOM 4428 N N . SER D 4 190 ? -33.791 21.760 -0.733 1.00 86.15 ? 196 SER D N 1 +ATOM 4429 C CA . SER D 4 190 ? -34.333 22.876 0.115 1.00 90.82 ? 196 SER D CA 1 +ATOM 4430 C C . SER D 4 190 ? -34.782 24.271 -0.388 1.00 93.03 ? 196 SER D C 1 +ATOM 4431 O O . SER D 4 190 ? -34.019 25.229 -0.298 1.00 97.67 ? 196 SER D O 1 +ATOM 4432 C CB . SER D 4 190 ? -33.441 23.095 1.369 1.00 92.60 ? 196 SER D CB 1 +ATOM 4433 O OG . SER D 4 190 ? -32.269 23.862 1.110 1.00 93.13 ? 196 SER D OG 1 +ATOM 4434 N N . ILE D 4 191 ? -36.066 24.417 -0.726 1.00 93.52 ? 197 ILE D N 1 +ATOM 4435 C CA . ILE D 4 191 ? -36.636 25.682 -1.234 1.00 91.13 ? 197 ILE D CA 1 +ATOM 4436 C C . ILE D 4 191 ? -38.173 25.660 -1.329 1.00 92.27 ? 197 ILE D C 1 +ATOM 4437 O O . ILE D 4 191 ? -38.812 24.648 -1.041 1.00 92.84 ? 197 ILE D O 1 +ATOM 4438 C CB . ILE D 4 191 ? -36.165 26.006 -2.701 1.00 89.63 ? 197 ILE D CB 1 +ATOM 4439 C CG1 . ILE D 4 191 ? -36.731 24.983 -3.701 1.00 87.35 ? 197 ILE D CG1 1 +ATOM 4440 C CG2 . ILE D 4 191 ? -34.656 26.056 -2.833 1.00 83.45 ? 197 ILE D CG2 1 +ATOM 4441 C CD1 . ILE D 4 191 ? -36.275 23.544 -3.488 1.00 87.71 ? 197 ILE D CD1 1 +ATOM 4442 N N . ILE D 4 192 ? -38.762 26.801 -1.678 1.00 92.29 ? 198 ILE D N 1 +ATOM 4443 C CA . ILE D 4 192 ? -40.201 26.885 -1.938 1.00 94.21 ? 198 ILE D CA 1 +ATOM 4444 C C . ILE D 4 192 ? -40.501 28.043 -2.904 1.00 97.08 ? 198 ILE D C 1 +ATOM 4445 O O . ILE D 4 192 ? -39.765 29.034 -2.931 1.00 98.58 ? 198 ILE D O 1 +ATOM 4446 C CB . ILE D 4 192 ? -41.101 27.109 -0.685 1.00 93.14 ? 198 ILE D CB 1 +ATOM 4447 C CG1 . ILE D 4 192 ? -41.249 25.844 0.169 1.00 93.17 ? 198 ILE D CG1 1 +ATOM 4448 C CG2 . ILE D 4 192 ? -42.527 27.456 -1.133 1.00 87.92 ? 198 ILE D CG2 1 +ATOM 4449 C CD1 . ILE D 4 192 ? -42.482 25.918 1.163 1.00 94.58 ? 198 ILE D CD1 1 +ATOM 4450 N N . PRO D 4 193 ? -41.516 27.836 -3.746 1.00 97.56 ? 199 PRO D N 1 +ATOM 4451 C CA . PRO D 4 193 ? -42.060 28.829 -4.687 1.00 93.12 ? 199 PRO D CA 1 +ATOM 4452 C C . PRO D 4 193 ? -41.326 29.458 -5.885 1.00 87.54 ? 199 PRO D C 1 +ATOM 4453 O O . PRO D 4 193 ? -40.127 29.308 -6.085 1.00 85.19 ? 199 PRO D O 1 +ATOM 4454 C CB . PRO D 4 193 ? -42.820 29.937 -3.893 1.00 91.11 ? 199 PRO D CB 1 +ATOM 4455 N N . GLU D 4 194 ? -42.175 30.077 -6.703 1.00 82.44 ? 200 GLU D N 1 +ATOM 4456 C CA . GLU D 4 194 ? -41.880 30.802 -7.937 1.00 79.45 ? 200 GLU D CA 1 +ATOM 4457 C C . GLU D 4 194 ? -40.942 30.244 -8.992 1.00 79.68 ? 200 GLU D C 1 +ATOM 4458 O O . GLU D 4 194 ? -39.829 30.715 -9.211 1.00 79.21 ? 200 GLU D O 1 +ATOM 4459 C CB . GLU D 4 194 ? -41.622 32.281 -7.673 1.00 76.70 ? 200 GLU D CB 1 +ATOM 4460 C CG . GLU D 4 194 ? -41.372 33.150 -8.940 1.00 77.64 ? 200 GLU D CG 1 +ATOM 4461 C CD . GLU D 4 194 ? -42.474 33.111 -10.018 1.00 78.52 ? 200 GLU D CD 1 +ATOM 4462 O OE1 . GLU D 4 194 ? -43.504 32.419 -9.859 1.00 83.79 ? 200 GLU D OE1 1 +ATOM 4463 O OE2 . GLU D 4 194 ? -42.298 33.789 -11.055 1.00 73.95 ? 200 GLU D OE2 1 +ATOM 4464 N N . ASP D 4 195 ? -41.460 29.256 -9.699 1.00 80.39 ? 201 ASP D N 1 +ATOM 4465 C CA . ASP D 4 195 ? -40.713 28.665 -10.783 1.00 77.70 ? 201 ASP D CA 1 +ATOM 4466 C C . ASP D 4 195 ? -41.437 29.242 -11.972 1.00 75.24 ? 201 ASP D C 1 +ATOM 4467 O O . ASP D 4 195 ? -42.552 28.845 -12.309 1.00 72.22 ? 201 ASP D O 1 +ATOM 4468 C CB . ASP D 4 195 ? -40.762 27.145 -10.741 1.00 82.30 ? 201 ASP D CB 1 +ATOM 4469 C CG . ASP D 4 195 ? -39.673 26.538 -9.852 1.00 85.43 ? 201 ASP D CG 1 +ATOM 4470 O OD1 . ASP D 4 195 ? -38.734 27.240 -9.398 1.00 85.58 ? 201 ASP D OD1 1 +ATOM 4471 O OD2 . ASP D 4 195 ? -39.741 25.312 -9.614 1.00 90.95 ? 201 ASP D OD2 1 +ATOM 4472 N N . THR D 4 196 ? -40.864 30.335 -12.437 1.00 77.86 ? 202 THR D N 1 +ATOM 4473 C CA . THR D 4 196 ? -41.356 31.073 -13.568 1.00 83.31 ? 202 THR D CA 1 +ATOM 4474 C C . THR D 4 196 ? -41.613 30.093 -14.729 1.00 86.51 ? 202 THR D C 1 +ATOM 4475 O O . THR D 4 196 ? -41.253 28.918 -14.629 1.00 87.78 ? 202 THR D O 1 +ATOM 4476 C CB . THR D 4 196 ? -40.323 32.184 -13.889 1.00 86.26 ? 202 THR D CB 1 +ATOM 4477 O OG1 . THR D 4 196 ? -40.989 33.439 -14.087 1.00 89.59 ? 202 THR D OG1 1 +ATOM 4478 C CG2 . THR D 4 196 ? -39.459 31.828 -15.088 1.00 93.35 ? 202 THR D CG2 1 +ATOM 4479 N N . PHE D 4 197 ? -42.221 30.569 -15.816 1.00 91.98 ? 203 PHE D N 1 +ATOM 4480 C CA . PHE D 4 197 ? -42.578 29.735 -16.976 1.00 96.33 ? 203 PHE D CA 1 +ATOM 4481 C C . PHE D 4 197 ? -41.585 29.867 -18.147 1.00 97.91 ? 203 PHE D C 1 +ATOM 4482 O O . PHE D 4 197 ? -41.571 30.932 -18.798 1.00 99.48 ? 203 PHE D O 1 +ATOM 4483 C CB . PHE D 4 197 ? -44.009 30.068 -17.460 1.00 97.85 ? 203 PHE D CB 1 +ATOM 4484 C CG . PHE D 4 197 ? -44.935 30.548 -16.366 1.00 99.98 ? 203 PHE D CG 1 +ATOM 4485 C CD1 . PHE D 4 197 ? -44.901 31.886 -15.942 1.00 99.99 ? 203 PHE D CD1 1 +ATOM 4486 C CD2 . PHE D 4 197 ? -45.802 29.658 -15.715 1.00 99.96 ? 203 PHE D CD2 1 +ATOM 4487 C CE1 . PHE D 4 197 ? -45.708 32.335 -14.888 1.00 99.98 ? 203 PHE D CE1 1 +ATOM 4488 C CE2 . PHE D 4 197 ? -46.619 30.092 -14.655 1.00 99.96 ? 203 PHE D CE2 1 +ATOM 4489 C CZ . PHE D 4 197 ? -46.566 31.438 -14.237 1.00 100.00 ? 203 PHE D CZ 1 +ATOM 4490 N N . GLY E 5 3 ? 2.020 51.339 6.101 1.00 47.87 ? 3 GLY E N 1 +ATOM 4491 C CA . GLY E 5 3 ? 1.624 49.969 6.579 1.00 41.06 ? 3 GLY E CA 1 +ATOM 4492 C C . GLY E 5 3 ? 2.588 48.900 6.095 1.00 37.31 ? 3 GLY E C 1 +ATOM 4493 O O . GLY E 5 3 ? 3.743 49.209 5.795 1.00 37.42 ? 3 GLY E O 1 +ATOM 4494 N N . VAL E 5 4 ? 2.137 47.645 6.087 1.00 34.49 ? 4 VAL E N 1 +ATOM 4495 C CA . VAL E 5 4 ? 2.953 46.532 5.607 1.00 36.27 ? 4 VAL E CA 1 +ATOM 4496 C C . VAL E 5 4 ? 2.482 46.156 4.203 1.00 39.12 ? 4 VAL E C 1 +ATOM 4497 O O . VAL E 5 4 ? 1.310 45.798 3.979 1.00 42.39 ? 4 VAL E O 1 +ATOM 4498 C CB . VAL E 5 4 ? 2.913 45.300 6.565 1.00 36.43 ? 4 VAL E CB 1 +ATOM 4499 C CG1 . VAL E 5 4 ? 1.530 45.083 7.076 1.00 47.49 ? 4 VAL E CG1 1 +ATOM 4500 C CG2 . VAL E 5 4 ? 3.416 44.038 5.860 1.00 31.82 ? 4 VAL E CG2 1 +ATOM 4501 N N . THR E 5 5 ? 3.392 46.313 3.252 1.00 33.65 ? 5 THR E N 1 +ATOM 4502 C CA . THR E 5 5 ? 3.120 46.021 1.864 1.00 28.54 ? 5 THR E CA 1 +ATOM 4503 C C . THR E 5 5 ? 3.846 44.753 1.466 1.00 26.46 ? 5 THR E C 1 +ATOM 4504 O O . THR E 5 5 ? 4.912 44.452 1.980 1.00 31.52 ? 5 THR E O 1 +ATOM 4505 C CB . THR E 5 5 ? 3.603 47.195 0.961 1.00 26.70 ? 5 THR E CB 1 +ATOM 4506 O OG1 . THR E 5 5 ? 4.944 47.550 1.305 1.00 33.36 ? 5 THR E OG1 1 +ATOM 4507 C CG2 . THR E 5 5 ? 2.746 48.425 1.165 1.00 24.23 ? 5 THR E CG2 1 +ATOM 4508 N N . GLN E 5 6 ? 3.252 43.995 0.565 1.00 32.48 ? 6 GLN E N 1 +ATOM 4509 C CA . GLN E 5 6 ? 3.870 42.774 0.070 1.00 34.86 ? 6 GLN E CA 1 +ATOM 4510 C C . GLN E 5 6 ? 3.490 42.530 -1.396 1.00 33.68 ? 6 GLN E C 1 +ATOM 4511 O O . GLN E 5 6 ? 2.324 42.658 -1.801 1.00 33.27 ? 6 GLN E O 1 +ATOM 4512 C CB . GLN E 5 6 ? 3.565 41.558 0.968 1.00 35.76 ? 6 GLN E CB 1 +ATOM 4513 C CG . GLN E 5 6 ? 2.110 41.317 1.278 1.00 38.60 ? 6 GLN E CG 1 +ATOM 4514 C CD . GLN E 5 6 ? 1.876 40.067 2.115 1.00 37.51 ? 6 GLN E CD 1 +ATOM 4515 O OE1 . GLN E 5 6 ? 2.180 38.947 1.695 1.00 36.33 ? 6 GLN E OE1 1 +ATOM 4516 N NE2 . GLN E 5 6 ? 1.297 40.255 3.296 1.00 39.94 ? 6 GLN E NE2 1 +ATOM 4517 N N . THR E 5 7 ? 4.514 42.265 -2.194 1.00 30.54 ? 7 THR E N 1 +ATOM 4518 C CA . THR E 5 7 ? 4.371 42.029 -3.618 1.00 31.35 ? 7 THR E CA 1 +ATOM 4519 C C . THR E 5 7 ? 4.974 40.660 -3.923 1.00 30.49 ? 7 THR E C 1 +ATOM 4520 O O . THR E 5 7 ? 5.885 40.213 -3.217 1.00 31.63 ? 7 THR E O 1 +ATOM 4521 C CB . THR E 5 7 ? 5.121 43.142 -4.410 1.00 32.77 ? 7 THR E CB 1 +ATOM 4522 O OG1 . THR E 5 7 ? 6.464 43.277 -3.914 1.00 33.34 ? 7 THR E OG1 1 +ATOM 4523 C CG2 . THR E 5 7 ? 4.401 44.493 -4.271 1.00 24.69 ? 7 THR E CG2 1 +ATOM 4524 N N . PRO E 5 8 ? 4.449 39.949 -4.939 1.00 31.28 ? 8 PRO E N 1 +ATOM 4525 C CA . PRO E 5 8 ? 3.343 40.279 -5.843 1.00 27.42 ? 8 PRO E CA 1 +ATOM 4526 C C . PRO E 5 8 ? 2.054 39.895 -5.152 1.00 25.04 ? 8 PRO E C 1 +ATOM 4527 O O . PRO E 5 8 ? 2.094 39.300 -4.088 1.00 33.76 ? 8 PRO E O 1 +ATOM 4528 C CB . PRO E 5 8 ? 3.561 39.325 -7.025 1.00 27.26 ? 8 PRO E CB 1 +ATOM 4529 C CG . PRO E 5 8 ? 4.847 38.610 -6.748 1.00 32.53 ? 8 PRO E CG 1 +ATOM 4530 C CD . PRO E 5 8 ? 4.959 38.613 -5.264 1.00 32.51 ? 8 PRO E CD 1 +ATOM 4531 N N . LYS E 5 9 ? 0.925 40.165 -5.799 1.00 20.91 ? 9 LYS E N 1 +ATOM 4532 C CA . LYS E 5 9 ? -0.387 39.845 -5.266 1.00 17.03 ? 9 LYS E CA 1 +ATOM 4533 C C . LYS E 5 9 ? -0.740 38.403 -5.621 1.00 22.18 ? 9 LYS E C 1 +ATOM 4534 O O . LYS E 5 9 ? -1.347 37.691 -4.825 1.00 24.72 ? 9 LYS E O 1 +ATOM 4535 C CB . LYS E 5 9 ? -1.427 40.795 -5.862 1.00 25.54 ? 9 LYS E CB 1 +ATOM 4536 C CG . LYS E 5 9 ? -2.466 41.260 -4.875 1.00 44.10 ? 9 LYS E CG 1 +ATOM 4537 C CD . LYS E 5 9 ? -3.305 42.413 -5.418 1.00 56.55 ? 9 LYS E CD 1 +ATOM 4538 C CE . LYS E 5 9 ? -3.978 43.171 -4.256 1.00 65.84 ? 9 LYS E CE 1 +ATOM 4539 N NZ . LYS E 5 9 ? -5.032 44.156 -4.669 1.00 68.83 ? 9 LYS E NZ 1 +ATOM 4540 N N . PHE E 5 10 ? -0.422 38.016 -6.859 1.00 26.62 ? 10 PHE E N 1 +ATOM 4541 C CA . PHE E 5 10 ? -0.669 36.673 -7.392 1.00 19.93 ? 10 PHE E CA 1 +ATOM 4542 C C . PHE E 5 10 ? 0.601 36.203 -8.082 1.00 22.16 ? 10 PHE E C 1 +ATOM 4543 O O . PHE E 5 10 ? 1.330 36.992 -8.689 1.00 22.18 ? 10 PHE E O 1 +ATOM 4544 C CB . PHE E 5 10 ? -1.790 36.669 -8.426 1.00 13.53 ? 10 PHE E CB 1 +ATOM 4545 C CG . PHE E 5 10 ? -3.091 37.197 -7.923 1.00 8.08 ? 10 PHE E CG 1 +ATOM 4546 C CD1 . PHE E 5 10 ? -3.976 36.379 -7.245 1.00 11.66 ? 10 PHE E CD1 1 +ATOM 4547 C CD2 . PHE E 5 10 ? -3.454 38.508 -8.171 1.00 9.21 ? 10 PHE E CD2 1 +ATOM 4548 C CE1 . PHE E 5 10 ? -5.208 36.859 -6.830 1.00 9.13 ? 10 PHE E CE1 1 +ATOM 4549 C CE2 . PHE E 5 10 ? -4.683 39.005 -7.760 1.00 6.89 ? 10 PHE E CE2 1 +ATOM 4550 C CZ . PHE E 5 10 ? -5.555 38.187 -7.096 1.00 8.37 ? 10 PHE E CZ 1 +ATOM 4551 N N . GLN E 5 11 ? 0.827 34.900 -8.042 1.00 24.35 ? 11 GLN E N 1 +ATOM 4552 C CA . GLN E 5 11 ? 2.006 34.321 -8.651 1.00 24.38 ? 11 GLN E CA 1 +ATOM 4553 C C . GLN E 5 11 ? 1.692 32.880 -9.051 1.00 26.85 ? 11 GLN E C 1 +ATOM 4554 O O . GLN E 5 11 ? 0.893 32.215 -8.382 1.00 21.51 ? 11 GLN E O 1 +ATOM 4555 C CB . GLN E 5 11 ? 3.159 34.359 -7.638 1.00 26.21 ? 11 GLN E CB 1 +ATOM 4556 C CG . GLN E 5 11 ? 4.521 34.017 -8.198 1.00 29.65 ? 11 GLN E CG 1 +ATOM 4557 C CD . GLN E 5 11 ? 4.896 34.875 -9.399 1.00 35.28 ? 11 GLN E CD 1 +ATOM 4558 O OE1 . GLN E 5 11 ? 5.027 34.377 -10.514 1.00 35.47 ? 11 GLN E OE1 1 +ATOM 4559 N NE2 . GLN E 5 11 ? 5.060 36.170 -9.176 1.00 41.42 ? 11 GLN E NE2 1 +ATOM 4560 N N . VAL E 5 12 ? 2.230 32.452 -10.199 1.00 29.01 ? 12 VAL E N 1 +ATOM 4561 C CA . VAL E 5 12 ? 2.082 31.077 -10.694 1.00 26.20 ? 12 VAL E CA 1 +ATOM 4562 C C . VAL E 5 12 ? 3.489 30.591 -10.992 1.00 25.64 ? 12 VAL E C 1 +ATOM 4563 O O . VAL E 5 12 ? 4.273 31.286 -11.628 1.00 29.93 ? 12 VAL E O 1 +ATOM 4564 C CB . VAL E 5 12 ? 1.244 30.964 -11.971 1.00 24.30 ? 12 VAL E CB 1 +ATOM 4565 C CG1 . VAL E 5 12 ? 0.865 29.496 -12.206 1.00 19.51 ? 12 VAL E CG1 1 +ATOM 4566 C CG2 . VAL E 5 12 ? 0.000 31.826 -11.853 1.00 30.57 ? 12 VAL E CG2 1 +ATOM 4567 N N . LEU E 5 13 ? 3.816 29.409 -10.503 1.00 26.58 ? 13 LEU E N 1 +ATOM 4568 C CA . LEU E 5 13 ? 5.140 28.849 -10.697 1.00 25.75 ? 13 LEU E CA 1 +ATOM 4569 C C . LEU E 5 13 ? 4.964 27.413 -11.109 1.00 26.55 ? 13 LEU E C 1 +ATOM 4570 O O . LEU E 5 13 ? 3.908 26.816 -10.882 1.00 28.59 ? 13 LEU E O 1 +ATOM 4571 C CB . LEU E 5 13 ? 5.932 28.851 -9.383 1.00 28.54 ? 13 LEU E CB 1 +ATOM 4572 C CG . LEU E 5 13 ? 6.431 30.104 -8.670 1.00 30.03 ? 13 LEU E CG 1 +ATOM 4573 C CD1 . LEU E 5 13 ? 7.109 29.710 -7.376 1.00 22.95 ? 13 LEU E CD1 1 +ATOM 4574 C CD2 . LEU E 5 13 ? 7.404 30.843 -9.562 1.00 31.90 ? 13 LEU E CD2 1 +ATOM 4575 N N . LYS E 5 14 ? 6.020 26.851 -11.672 1.00 27.30 ? 14 LYS E N 1 +ATOM 4576 C CA . LYS E 5 14 ? 6.023 25.463 -12.094 1.00 32.11 ? 14 LYS E CA 1 +ATOM 4577 C C . LYS E 5 14 ? 6.997 24.795 -11.136 1.00 26.74 ? 14 LYS E C 1 +ATOM 4578 O O . LYS E 5 14 ? 8.026 25.390 -10.785 1.00 21.53 ? 14 LYS E O 1 +ATOM 4579 C CB . LYS E 5 14 ? 6.523 25.358 -13.547 1.00 41.09 ? 14 LYS E CB 1 +ATOM 4580 C CG . LYS E 5 14 ? 7.209 24.040 -13.880 1.00 53.46 ? 14 LYS E CG 1 +ATOM 4581 C CD . LYS E 5 14 ? 7.749 24.014 -15.300 1.00 58.65 ? 14 LYS E CD 1 +ATOM 4582 C CE . LYS E 5 14 ? 8.703 22.834 -15.499 1.00 60.90 ? 14 LYS E CE 1 +ATOM 4583 N NZ . LYS E 5 14 ? 9.051 22.624 -16.927 1.00 60.17 ? 14 LYS E NZ 1 +ATOM 4584 N N . THR E 5 15 ? 6.663 23.593 -10.682 1.00 23.48 ? 15 THR E N 1 +ATOM 4585 C CA . THR E 5 15 ? 7.527 22.867 -9.767 1.00 28.27 ? 15 THR E CA 1 +ATOM 4586 C C . THR E 5 15 ? 8.989 23.033 -10.180 1.00 30.64 ? 15 THR E C 1 +ATOM 4587 O O . THR E 5 15 ? 9.337 22.808 -11.340 1.00 38.36 ? 15 THR E O 1 +ATOM 4588 C CB . THR E 5 15 ? 7.157 21.383 -9.759 1.00 27.75 ? 15 THR E CB 1 +ATOM 4589 O OG1 . THR E 5 15 ? 5.746 21.263 -9.558 1.00 29.80 ? 15 THR E OG1 1 +ATOM 4590 C CG2 . THR E 5 15 ? 7.864 20.654 -8.631 1.00 33.95 ? 15 THR E CG2 1 +ATOM 4591 N N . GLY E 5 16 ? 9.823 23.518 -9.263 1.00 33.09 ? 16 GLY E N 1 +ATOM 4592 C CA . GLY E 5 16 ? 11.230 23.701 -9.582 1.00 30.35 ? 16 GLY E CA 1 +ATOM 4593 C C . GLY E 5 16 ? 11.694 25.144 -9.624 1.00 31.94 ? 16 GLY E C 1 +ATOM 4594 O O . GLY E 5 16 ? 12.898 25.414 -9.502 1.00 32.13 ? 16 GLY E O 1 +ATOM 4595 N N . GLN E 5 17 ? 10.763 26.073 -9.831 1.00 29.17 ? 17 GLN E N 1 +ATOM 4596 C CA . GLN E 5 17 ? 11.112 27.489 -9.889 1.00 28.47 ? 17 GLN E CA 1 +ATOM 4597 C C . GLN E 5 17 ? 11.318 28.082 -8.509 1.00 28.67 ? 17 GLN E C 1 +ATOM 4598 O O . GLN E 5 17 ? 10.648 27.718 -7.550 1.00 32.90 ? 17 GLN E O 1 +ATOM 4599 C CB . GLN E 5 17 ? 10.007 28.285 -10.569 1.00 30.75 ? 17 GLN E CB 1 +ATOM 4600 C CG . GLN E 5 17 ? 10.089 28.406 -12.056 1.00 37.54 ? 17 GLN E CG 1 +ATOM 4601 C CD . GLN E 5 17 ? 8.911 29.195 -12.606 1.00 44.98 ? 17 GLN E CD 1 +ATOM 4602 O OE1 . GLN E 5 17 ? 7.761 28.782 -12.476 1.00 50.35 ? 17 GLN E OE1 1 +ATOM 4603 N NE2 . GLN E 5 17 ? 9.189 30.346 -13.197 1.00 48.36 ? 17 GLN E NE2 1 +ATOM 4604 N N . SER E 5 18 ? 12.243 29.015 -8.417 1.00 31.39 ? 18 SER E N 1 +ATOM 4605 C CA . SER E 5 18 ? 12.504 29.701 -7.172 1.00 35.34 ? 18 SER E CA 1 +ATOM 4606 C C . SER E 5 18 ? 11.568 30.903 -7.207 1.00 38.13 ? 18 SER E C 1 +ATOM 4607 O O . SER E 5 18 ? 11.072 31.257 -8.272 1.00 38.91 ? 18 SER E O 1 +ATOM 4608 C CB . SER E 5 18 ? 13.955 30.161 -7.156 1.00 37.36 ? 18 SER E CB 1 +ATOM 4609 O OG . SER E 5 18 ? 14.362 30.562 -8.460 1.00 46.50 ? 18 SER E OG 1 +ATOM 4610 N N . MET E 5 19 ? 11.327 31.537 -6.065 1.00 39.17 ? 19 MET E N 1 +ATOM 4611 C CA . MET E 5 19 ? 10.446 32.698 -6.022 1.00 37.59 ? 19 MET E CA 1 +ATOM 4612 C C . MET E 5 19 ? 10.720 33.407 -4.733 1.00 34.87 ? 19 MET E C 1 +ATOM 4613 O O . MET E 5 19 ? 11.033 32.750 -3.760 1.00 39.31 ? 19 MET E O 1 +ATOM 4614 C CB . MET E 5 19 ? 8.976 32.252 -6.017 1.00 44.04 ? 19 MET E CB 1 +ATOM 4615 C CG . MET E 5 19 ? 7.960 33.398 -5.900 1.00 49.69 ? 19 MET E CG 1 +ATOM 4616 S SD . MET E 5 19 ? 8.125 34.569 -7.280 1.00 64.10 ? 19 MET E SD 1 +ATOM 4617 C CE . MET E 5 19 ? 7.774 36.137 -6.525 1.00 63.57 ? 19 MET E CE 1 +ATOM 4618 N N . THR E 5 20 ? 10.714 34.734 -4.721 1.00 33.54 ? 20 THR E N 1 +ATOM 4619 C CA . THR E 5 20 ? 10.892 35.429 -3.446 1.00 36.38 ? 20 THR E CA 1 +ATOM 4620 C C . THR E 5 20 ? 9.720 36.398 -3.241 1.00 35.33 ? 20 THR E C 1 +ATOM 4621 O O . THR E 5 20 ? 9.265 37.045 -4.195 1.00 32.90 ? 20 THR E O 1 +ATOM 4622 C CB . THR E 5 20 ? 12.330 36.075 -3.225 1.00 39.04 ? 20 THR E CB 1 +ATOM 4623 O OG1 . THR E 5 20 ? 12.240 37.499 -3.073 1.00 42.95 ? 20 THR E OG1 1 +ATOM 4624 C CG2 . THR E 5 20 ? 13.302 35.711 -4.352 1.00 45.61 ? 20 THR E CG2 1 +ATOM 4625 N N . LEU E 5 21 ? 9.129 36.342 -2.045 1.00 30.32 ? 21 LEU E N 1 +ATOM 4626 C CA . LEU E 5 21 ? 8.004 37.181 -1.677 1.00 22.30 ? 21 LEU E CA 1 +ATOM 4627 C C . LEU E 5 21 ? 8.564 38.373 -0.971 1.00 21.77 ? 21 LEU E C 1 +ATOM 4628 O O . LEU E 5 21 ? 9.405 38.234 -0.090 1.00 24.65 ? 21 LEU E O 1 +ATOM 4629 C CB . LEU E 5 21 ? 7.068 36.427 -0.755 1.00 24.41 ? 21 LEU E CB 1 +ATOM 4630 C CG . LEU E 5 21 ? 6.439 35.216 -1.431 1.00 26.10 ? 21 LEU E CG 1 +ATOM 4631 C CD1 . LEU E 5 21 ? 5.675 34.399 -0.424 1.00 38.16 ? 21 LEU E CD1 1 +ATOM 4632 C CD2 . LEU E 5 21 ? 5.531 35.659 -2.544 1.00 27.46 ? 21 LEU E CD2 1 +ATOM 4633 N N . GLN E 5 22 ? 8.147 39.552 -1.398 1.00 21.35 ? 22 GLN E N 1 +ATOM 4634 C CA . GLN E 5 22 ? 8.644 40.765 -0.791 1.00 27.00 ? 22 GLN E CA 1 +ATOM 4635 C C . GLN E 5 22 ? 7.718 41.283 0.288 1.00 30.84 ? 22 GLN E C 1 +ATOM 4636 O O . GLN E 5 22 ? 6.499 41.270 0.132 1.00 32.51 ? 22 GLN E O 1 +ATOM 4637 C CB . GLN E 5 22 ? 8.873 41.832 -1.847 1.00 27.23 ? 22 GLN E CB 1 +ATOM 4638 C CG . GLN E 5 22 ? 9.836 41.404 -2.947 1.00 38.27 ? 22 GLN E CG 1 +ATOM 4639 C CD . GLN E 5 22 ? 11.194 40.957 -2.430 1.00 44.17 ? 22 GLN E CD 1 +ATOM 4640 O OE1 . GLN E 5 22 ? 11.440 40.949 -1.225 1.00 52.34 ? 22 GLN E OE1 1 +ATOM 4641 N NE2 . GLN E 5 22 ? 12.088 40.584 -3.345 1.00 48.82 ? 22 GLN E NE2 1 +ATOM 4642 N N . CYS E 5 23 ? 8.306 41.675 1.414 1.00 35.05 ? 23 CYS E N 1 +ATOM 4643 C CA . CYS E 5 23 ? 7.547 42.224 2.533 1.00 31.69 ? 23 CYS E CA 1 +ATOM 4644 C C . CYS E 5 23 ? 8.250 43.453 3.039 1.00 26.11 ? 23 CYS E C 1 +ATOM 4645 O O . CYS E 5 23 ? 9.427 43.400 3.414 1.00 22.37 ? 23 CYS E O 1 +ATOM 4646 C CB . CYS E 5 23 ? 7.407 41.244 3.689 1.00 33.51 ? 23 CYS E CB 1 +ATOM 4647 S SG . CYS E 5 23 ? 6.406 41.988 5.013 1.00 34.59 ? 23 CYS E SG 1 +ATOM 4648 N N . ALA E 5 24 ? 7.530 44.563 3.016 1.00 23.01 ? 24 ALA E N 1 +ATOM 4649 C CA . ALA E 5 24 ? 8.075 45.822 3.462 1.00 26.95 ? 24 ALA E CA 1 +ATOM 4650 C C . ALA E 5 24 ? 7.127 46.480 4.450 1.00 28.95 ? 24 ALA E C 1 +ATOM 4651 O O . ALA E 5 24 ? 5.902 46.471 4.280 1.00 27.18 ? 24 ALA E O 1 +ATOM 4652 C CB . ALA E 5 24 ? 8.332 46.728 2.282 1.00 22.23 ? 24 ALA E CB 1 +ATOM 4653 N N . GLN E 5 25 ? 7.710 47.004 5.521 1.00 30.51 ? 25 GLN E N 1 +ATOM 4654 C CA . GLN E 5 25 ? 6.963 47.692 6.561 1.00 29.25 ? 25 GLN E CA 1 +ATOM 4655 C C . GLN E 5 25 ? 7.670 49.039 6.703 1.00 29.29 ? 25 GLN E C 1 +ATOM 4656 O O . GLN E 5 25 ? 8.898 49.115 6.600 1.00 24.77 ? 25 GLN E O 1 +ATOM 4657 C CB . GLN E 5 25 ? 6.961 46.825 7.841 1.00 27.45 ? 25 GLN E CB 1 +ATOM 4658 C CG . GLN E 5 25 ? 7.155 47.495 9.189 1.00 30.65 ? 25 GLN E CG 1 +ATOM 4659 C CD . GLN E 5 25 ? 8.612 47.607 9.564 1.00 29.06 ? 25 GLN E CD 1 +ATOM 4660 O OE1 . GLN E 5 25 ? 9.088 48.686 9.890 1.00 41.33 ? 25 GLN E OE1 1 +ATOM 4661 N NE2 . GLN E 5 25 ? 9.329 46.503 9.500 1.00 33.30 ? 25 GLN E NE2 1 +ATOM 4662 N N . ASP E 5 26 ? 6.887 50.109 6.805 1.00 32.32 ? 26 ASP E N 1 +ATOM 4663 C CA . ASP E 5 26 ? 7.441 51.458 6.935 1.00 37.95 ? 26 ASP E CA 1 +ATOM 4664 C C . ASP E 5 26 ? 7.283 52.032 8.349 1.00 39.93 ? 26 ASP E C 1 +ATOM 4665 O O . ASP E 5 26 ? 7.595 53.202 8.597 1.00 46.37 ? 26 ASP E O 1 +ATOM 4666 C CB . ASP E 5 26 ? 6.761 52.381 5.930 1.00 33.84 ? 26 ASP E CB 1 +ATOM 4667 N N . MET E 5 27 ? 6.854 51.190 9.283 1.00 35.78 ? 27 MET E N 1 +ATOM 4668 C CA . MET E 5 27 ? 6.597 51.608 10.655 1.00 31.18 ? 27 MET E CA 1 +ATOM 4669 C C . MET E 5 27 ? 7.736 51.434 11.645 1.00 31.03 ? 27 MET E C 1 +ATOM 4670 O O . MET E 5 27 ? 7.528 51.551 12.840 1.00 38.18 ? 27 MET E O 1 +ATOM 4671 C CB . MET E 5 27 ? 5.372 50.868 11.158 1.00 23.77 ? 27 MET E CB 1 +ATOM 4672 C CG . MET E 5 27 ? 4.360 50.685 10.082 1.00 17.61 ? 27 MET E CG 1 +ATOM 4673 S SD . MET E 5 27 ? 2.942 49.872 10.684 1.00 37.55 ? 27 MET E SD 1 +ATOM 4674 C CE . MET E 5 27 ? 3.425 48.150 10.408 1.00 34.15 ? 27 MET E CE 1 +ATOM 4675 N N . ASN E 5 28 ? 8.930 51.130 11.161 1.00 32.34 ? 28 ASN E N 1 +ATOM 4676 C CA . ASN E 5 28 ? 10.075 50.944 12.034 1.00 29.08 ? 28 ASN E CA 1 +ATOM 4677 C C . ASN E 5 28 ? 9.768 49.902 13.094 1.00 29.72 ? 28 ASN E C 1 +ATOM 4678 O O . ASN E 5 28 ? 10.060 50.083 14.265 1.00 38.27 ? 28 ASN E O 1 +ATOM 4679 C CB . ASN E 5 28 ? 10.471 52.270 12.682 1.00 32.53 ? 28 ASN E CB 1 +ATOM 4680 C CG . ASN E 5 28 ? 11.418 53.086 11.817 1.00 35.37 ? 28 ASN E CG 1 +ATOM 4681 O OD1 . ASN E 5 28 ? 12.304 52.539 11.168 1.00 34.28 ? 28 ASN E OD1 1 +ATOM 4682 N ND2 . ASN E 5 28 ? 11.231 54.402 11.806 1.00 38.98 ? 28 ASN E ND2 1 +ATOM 4683 N N . HIS E 5 29 ? 9.081 48.848 12.689 1.00 30.59 ? 29 HIS E N 1 +ATOM 4684 C CA . HIS E 5 29 ? 8.734 47.759 13.587 1.00 27.97 ? 29 HIS E CA 1 +ATOM 4685 C C . HIS E 5 29 ? 9.904 46.802 13.507 1.00 30.33 ? 29 HIS E C 1 +ATOM 4686 O O . HIS E 5 29 ? 10.398 46.524 12.409 1.00 35.47 ? 29 HIS E O 1 +ATOM 4687 C CB . HIS E 5 29 ? 7.447 47.077 13.119 1.00 29.82 ? 29 HIS E CB 1 +ATOM 4688 C CG . HIS E 5 29 ? 6.202 47.821 13.497 1.00 26.54 ? 29 HIS E CG 1 +ATOM 4689 N ND1 . HIS E 5 29 ? 4.940 47.368 13.183 1.00 27.01 ? 29 HIS E ND1 1 +ATOM 4690 C CD2 . HIS E 5 29 ? 6.032 48.966 14.194 1.00 32.97 ? 29 HIS E CD2 1 +ATOM 4691 C CE1 . HIS E 5 29 ? 4.041 48.205 13.675 1.00 25.82 ? 29 HIS E CE1 1 +ATOM 4692 N NE2 . HIS E 5 29 ? 4.675 49.182 14.291 1.00 32.75 ? 29 HIS E NE2 1 +ATOM 4693 N N . GLU E 5 30 ? 10.329 46.288 14.656 1.00 24.53 ? 30 GLU E N 1 +ATOM 4694 C CA . GLU E 5 30 ? 11.475 45.390 14.725 1.00 20.61 ? 30 GLU E CA 1 +ATOM 4695 C C . GLU E 5 30 ? 11.210 43.914 14.436 1.00 20.76 ? 30 GLU E C 1 +ATOM 4696 O O . GLU E 5 30 ? 12.118 43.185 14.025 1.00 22.12 ? 30 GLU E O 1 +ATOM 4697 C CB . GLU E 5 30 ? 12.154 45.541 16.088 1.00 22.28 ? 30 GLU E CB 1 +ATOM 4698 N N . TYR E 5 31 ? 9.981 43.471 14.665 1.00 15.26 ? 31 TYR E N 1 +ATOM 4699 C CA . TYR E 5 31 ? 9.640 42.075 14.475 1.00 13.36 ? 31 TYR E CA 1 +ATOM 4700 C C . TYR E 5 31 ? 8.735 41.900 13.283 1.00 18.65 ? 31 TYR E C 1 +ATOM 4701 O O . TYR E 5 31 ? 7.743 42.614 13.133 1.00 19.76 ? 31 TYR E O 1 +ATOM 4702 C CB . TYR E 5 31 ? 8.966 41.562 15.737 1.00 13.39 ? 31 TYR E CB 1 +ATOM 4703 C CG . TYR E 5 31 ? 8.471 40.155 15.679 1.00 9.37 ? 31 TYR E CG 1 +ATOM 4704 C CD1 . TYR E 5 31 ? 7.269 39.852 15.069 1.00 11.00 ? 31 TYR E CD1 1 +ATOM 4705 C CD2 . TYR E 5 31 ? 9.177 39.128 16.282 1.00 9.39 ? 31 TYR E CD2 1 +ATOM 4706 C CE1 . TYR E 5 31 ? 6.775 38.557 15.064 1.00 16.61 ? 31 TYR E CE1 1 +ATOM 4707 C CE2 . TYR E 5 31 ? 8.691 37.821 16.284 1.00 11.87 ? 31 TYR E CE2 1 +ATOM 4708 C CZ . TYR E 5 31 ? 7.487 37.540 15.675 1.00 16.90 ? 31 TYR E CZ 1 +ATOM 4709 O OH . TYR E 5 31 ? 6.958 36.260 15.689 1.00 24.39 ? 31 TYR E OH 1 +ATOM 4710 N N . MET E 5 32 ? 9.073 40.922 12.451 1.00 25.17 ? 32 MET E N 1 +ATOM 4711 C CA . MET E 5 32 ? 8.317 40.617 11.236 1.00 22.64 ? 32 MET E CA 1 +ATOM 4712 C C . MET E 5 32 ? 8.186 39.108 11.095 1.00 20.63 ? 32 MET E C 1 +ATOM 4713 O O . MET E 5 32 ? 9.103 38.367 11.447 1.00 20.63 ? 32 MET E O 1 +ATOM 4714 C CB . MET E 5 32 ? 9.024 41.219 10.026 1.00 23.96 ? 32 MET E CB 1 +ATOM 4715 C CG . MET E 5 32 ? 9.041 42.740 10.029 1.00 21.27 ? 32 MET E CG 1 +ATOM 4716 S SD . MET E 5 32 ? 10.094 43.406 8.740 1.00 25.67 ? 32 MET E SD 1 +ATOM 4717 C CE . MET E 5 32 ? 8.877 43.567 7.409 1.00 8.90 ? 32 MET E CE 1 +ATOM 4718 N N . SER E 5 33 ? 7.052 38.656 10.582 1.00 16.63 ? 33 SER E N 1 +ATOM 4719 C CA . SER E 5 33 ? 6.796 37.237 10.450 1.00 19.64 ? 33 SER E CA 1 +ATOM 4720 C C . SER E 5 33 ? 6.107 36.832 9.148 1.00 18.58 ? 33 SER E C 1 +ATOM 4721 O O . SER E 5 33 ? 5.450 37.647 8.499 1.00 17.83 ? 33 SER E O 1 +ATOM 4722 C CB . SER E 5 33 ? 5.941 36.801 11.637 1.00 20.89 ? 33 SER E CB 1 +ATOM 4723 O OG . SER E 5 33 ? 4.914 37.749 11.898 1.00 31.30 ? 33 SER E OG 1 +ATOM 4724 N N . TRP E 5 34 ? 6.203 35.550 8.815 1.00 13.75 ? 34 TRP E N 1 +ATOM 4725 C CA . TRP E 5 34 ? 5.588 35.027 7.611 1.00 13.80 ? 34 TRP E CA 1 +ATOM 4726 C C . TRP E 5 34 ? 4.667 33.854 7.920 1.00 14.44 ? 34 TRP E C 1 +ATOM 4727 O O . TRP E 5 34 ? 5.107 32.849 8.451 1.00 20.57 ? 34 TRP E O 1 +ATOM 4728 C CB . TRP E 5 34 ? 6.671 34.586 6.614 1.00 18.41 ? 34 TRP E CB 1 +ATOM 4729 C CG . TRP E 5 34 ? 7.118 35.674 5.644 1.00 18.10 ? 34 TRP E CG 1 +ATOM 4730 C CD1 . TRP E 5 34 ? 8.306 36.351 5.647 1.00 16.85 ? 34 TRP E CD1 1 +ATOM 4731 C CD2 . TRP E 5 34 ? 6.376 36.173 4.507 1.00 15.13 ? 34 TRP E CD2 1 +ATOM 4732 N NE1 . TRP E 5 34 ? 8.357 37.232 4.590 1.00 11.97 ? 34 TRP E NE1 1 +ATOM 4733 C CE2 . TRP E 5 34 ? 7.183 37.141 3.878 1.00 12.25 ? 34 TRP E CE2 1 +ATOM 4734 C CE3 . TRP E 5 34 ? 5.115 35.894 3.970 1.00 9.44 ? 34 TRP E CE3 1 +ATOM 4735 C CZ2 . TRP E 5 34 ? 6.767 37.831 2.734 1.00 13.36 ? 34 TRP E CZ2 1 +ATOM 4736 C CZ3 . TRP E 5 34 ? 4.700 36.576 2.839 1.00 13.05 ? 34 TRP E CZ3 1 +ATOM 4737 C CH2 . TRP E 5 34 ? 5.524 37.533 2.233 1.00 7.12 ? 34 TRP E CH2 1 +ATOM 4738 N N . TYR E 5 35 ? 3.401 33.974 7.546 1.00 17.00 ? 35 TYR E N 1 +ATOM 4739 C CA . TYR E 5 35 ? 2.404 32.927 7.758 1.00 19.32 ? 35 TYR E CA 1 +ATOM 4740 C C . TYR E 5 35 ? 1.851 32.442 6.410 1.00 21.29 ? 35 TYR E C 1 +ATOM 4741 O O . TYR E 5 35 ? 2.126 33.037 5.375 1.00 19.44 ? 35 TYR E O 1 +ATOM 4742 C CB . TYR E 5 35 ? 1.214 33.471 8.575 1.00 24.74 ? 35 TYR E CB 1 +ATOM 4743 C CG . TYR E 5 35 ? 1.519 33.933 9.983 1.00 24.40 ? 35 TYR E CG 1 +ATOM 4744 C CD1 . TYR E 5 35 ? 1.996 35.218 10.222 1.00 20.62 ? 35 TYR E CD1 1 +ATOM 4745 C CD2 . TYR E 5 35 ? 1.323 33.080 11.075 1.00 27.57 ? 35 TYR E CD2 1 +ATOM 4746 C CE1 . TYR E 5 35 ? 2.274 35.647 11.508 1.00 29.45 ? 35 TYR E CE1 1 +ATOM 4747 C CE2 . TYR E 5 35 ? 1.601 33.495 12.367 1.00 27.14 ? 35 TYR E CE2 1 +ATOM 4748 C CZ . TYR E 5 35 ? 2.077 34.782 12.577 1.00 32.08 ? 35 TYR E CZ 1 +ATOM 4749 O OH . TYR E 5 35 ? 2.382 35.203 13.851 1.00 35.96 ? 35 TYR E OH 1 +ATOM 4750 N N . ARG E 5 36 ? 1.039 31.389 6.450 1.00 19.91 ? 36 ARG E N 1 +ATOM 4751 C CA . ARG E 5 36 ? 0.393 30.821 5.272 1.00 26.78 ? 36 ARG E CA 1 +ATOM 4752 C C . ARG E 5 36 ? -0.929 30.191 5.687 1.00 30.02 ? 36 ARG E C 1 +ATOM 4753 O O . ARG E 5 36 ? -0.984 29.346 6.583 1.00 31.51 ? 36 ARG E O 1 +ATOM 4754 C CB . ARG E 5 36 ? 1.272 29.776 4.566 1.00 32.64 ? 36 ARG E CB 1 +ATOM 4755 C CG . ARG E 5 36 ? 1.711 28.604 5.411 1.00 31.99 ? 36 ARG E CG 1 +ATOM 4756 C CD . ARG E 5 36 ? 2.381 27.556 4.550 1.00 36.57 ? 36 ARG E CD 1 +ATOM 4757 N NE . ARG E 5 36 ? 1.408 26.773 3.780 1.00 40.19 ? 36 ARG E NE 1 +ATOM 4758 C CZ . ARG E 5 36 ? 1.722 25.874 2.844 1.00 31.33 ? 36 ARG E CZ 1 +ATOM 4759 N NH1 . ARG E 5 36 ? 2.990 25.624 2.530 1.00 30.62 ? 36 ARG E NH1 1 +ATOM 4760 N NH2 . ARG E 5 36 ? 0.762 25.204 2.232 1.00 29.49 ? 36 ARG E NH2 1 +ATOM 4761 N N . GLN E 5 37 ? -1.986 30.569 4.991 1.00 30.88 ? 37 GLN E N 1 +ATOM 4762 C CA . GLN E 5 37 ? -3.308 30.075 5.297 1.00 34.93 ? 37 GLN E CA 1 +ATOM 4763 C C . GLN E 5 37 ? -3.783 28.980 4.351 1.00 41.00 ? 37 GLN E C 1 +ATOM 4764 O O . GLN E 5 37 ? -3.849 29.173 3.135 1.00 41.05 ? 37 GLN E O 1 +ATOM 4765 C CB . GLN E 5 37 ? -4.288 31.243 5.272 1.00 31.73 ? 37 GLN E CB 1 +ATOM 4766 C CG . GLN E 5 37 ? -5.640 30.925 5.844 1.00 35.53 ? 37 GLN E CG 1 +ATOM 4767 C CD . GLN E 5 37 ? -6.637 31.989 5.525 1.00 34.81 ? 37 GLN E CD 1 +ATOM 4768 O OE1 . GLN E 5 37 ? -6.363 32.890 4.736 1.00 46.43 ? 37 GLN E OE1 1 +ATOM 4769 N NE2 . GLN E 5 37 ? -7.807 31.901 6.128 1.00 39.11 ? 37 GLN E NE2 1 +ATOM 4770 N N . ASP E 5 38 ? -4.132 27.835 4.926 1.00 46.90 ? 38 ASP E N 1 +ATOM 4771 C CA . ASP E 5 38 ? -4.638 26.696 4.164 1.00 51.34 ? 38 ASP E CA 1 +ATOM 4772 C C . ASP E 5 38 ? -6.026 26.417 4.731 1.00 52.50 ? 38 ASP E C 1 +ATOM 4773 O O . ASP E 5 38 ? -6.258 26.647 5.916 1.00 57.88 ? 38 ASP E O 1 +ATOM 4774 C CB . ASP E 5 38 ? -3.709 25.494 4.331 1.00 55.22 ? 38 ASP E CB 1 +ATOM 4775 C CG . ASP E 5 38 ? -2.290 25.790 3.865 1.00 58.64 ? 38 ASP E CG 1 +ATOM 4776 O OD1 . ASP E 5 38 ? -1.543 26.472 4.604 1.00 62.04 ? 38 ASP E OD1 1 +ATOM 4777 O OD2 . ASP E 5 38 ? -1.932 25.351 2.755 1.00 60.59 ? 38 ASP E OD2 1 +ATOM 4778 N N . PRO E 5 39 ? -6.951 25.875 3.916 1.00 52.98 ? 39 PRO E N 1 +ATOM 4779 C CA . PRO E 5 39 ? -8.318 25.590 4.379 1.00 52.40 ? 39 PRO E CA 1 +ATOM 4780 C C . PRO E 5 39 ? -8.460 24.824 5.693 1.00 50.85 ? 39 PRO E C 1 +ATOM 4781 O O . PRO E 5 39 ? -9.256 25.199 6.563 1.00 51.15 ? 39 PRO E O 1 +ATOM 4782 C CB . PRO E 5 39 ? -8.920 24.808 3.206 1.00 52.42 ? 39 PRO E CB 1 +ATOM 4783 C CG . PRO E 5 39 ? -8.201 25.363 2.027 1.00 52.44 ? 39 PRO E CG 1 +ATOM 4784 C CD . PRO E 5 39 ? -6.772 25.405 2.532 1.00 50.68 ? 39 PRO E CD 1 +ATOM 4785 N N . GLY E 5 40 ? -7.693 23.753 5.834 1.00 44.72 ? 40 GLY E N 1 +ATOM 4786 C CA . GLY E 5 40 ? -7.796 22.959 7.036 1.00 50.43 ? 40 GLY E CA 1 +ATOM 4787 C C . GLY E 5 40 ? -7.189 23.481 8.331 1.00 49.02 ? 40 GLY E C 1 +ATOM 4788 O O . GLY E 5 40 ? -7.683 23.125 9.406 1.00 47.18 ? 40 GLY E O 1 +ATOM 4789 N N . MET E 5 41 ? -6.180 24.352 8.260 1.00 45.76 ? 41 MET E N 1 +ATOM 4790 C CA . MET E 5 41 ? -5.525 24.798 9.487 1.00 41.00 ? 41 MET E CA 1 +ATOM 4791 C C . MET E 5 41 ? -5.200 26.272 9.726 1.00 36.12 ? 41 MET E C 1 +ATOM 4792 O O . MET E 5 41 ? -4.081 26.592 10.105 1.00 36.49 ? 41 MET E O 1 +ATOM 4793 C CB . MET E 5 41 ? -4.266 23.951 9.716 1.00 45.14 ? 41 MET E CB 1 +ATOM 4794 N N . GLY E 5 42 ? -6.177 27.157 9.586 1.00 34.33 ? 42 GLY E N 1 +ATOM 4795 C CA . GLY E 5 42 ? -5.917 28.565 9.836 1.00 31.79 ? 42 GLY E CA 1 +ATOM 4796 C C . GLY E 5 42 ? -4.565 29.025 9.331 1.00 31.19 ? 42 GLY E C 1 +ATOM 4797 O O . GLY E 5 42 ? -4.127 28.599 8.260 1.00 37.31 ? 42 GLY E O 1 +ATOM 4798 N N . LEU E 5 43 ? -3.905 29.893 10.090 1.00 30.72 ? 43 LEU E N 1 +ATOM 4799 C CA . LEU E 5 43 ? -2.587 30.408 9.715 1.00 24.93 ? 43 LEU E CA 1 +ATOM 4800 C C . LEU E 5 43 ? -1.517 29.628 10.466 1.00 22.99 ? 43 LEU E C 1 +ATOM 4801 O O . LEU E 5 43 ? -1.773 29.097 11.535 1.00 30.22 ? 43 LEU E O 1 +ATOM 4802 C CB . LEU E 5 43 ? -2.477 31.898 10.047 1.00 24.57 ? 43 LEU E CB 1 +ATOM 4803 C CG . LEU E 5 43 ? -3.506 32.842 9.406 1.00 35.01 ? 43 LEU E CG 1 +ATOM 4804 C CD1 . LEU E 5 43 ? -3.447 34.218 10.046 1.00 42.52 ? 43 LEU E CD1 1 +ATOM 4805 C CD2 . LEU E 5 43 ? -3.288 32.962 7.908 1.00 36.91 ? 43 LEU E CD2 1 +ATOM 4806 N N . ARG E 5 44 ? -0.321 29.556 9.899 1.00 16.76 ? 44 ARG E N 1 +ATOM 4807 C CA . ARG E 5 44 ? 0.792 28.847 10.496 1.00 17.67 ? 44 ARG E CA 1 +ATOM 4808 C C . ARG E 5 44 ? 2.053 29.670 10.279 1.00 24.58 ? 44 ARG E C 1 +ATOM 4809 O O . ARG E 5 44 ? 2.199 30.302 9.244 1.00 36.56 ? 44 ARG E O 1 +ATOM 4810 C CB . ARG E 5 44 ? 0.939 27.473 9.860 1.00 17.00 ? 44 ARG E CB 1 +ATOM 4811 C CG . ARG E 5 44 ? -0.161 26.504 10.265 1.00 19.78 ? 44 ARG E CG 1 +ATOM 4812 C CD . ARG E 5 44 ? 0.046 25.143 9.654 1.00 27.96 ? 44 ARG E CD 1 +ATOM 4813 N NE . ARG E 5 44 ? -0.279 25.144 8.227 1.00 41.28 ? 44 ARG E NE 1 +ATOM 4814 C CZ . ARG E 5 44 ? -0.270 24.067 7.445 1.00 35.67 ? 44 ARG E CZ 1 +ATOM 4815 N NH1 . ARG E 5 44 ? 0.049 22.880 7.933 1.00 37.50 ? 44 ARG E NH1 1 +ATOM 4816 N NH2 . ARG E 5 44 ? -0.574 24.179 6.164 1.00 40.13 ? 44 ARG E NH2 1 +ATOM 4817 N N . LEU E 5 45 ? 2.942 29.714 11.266 1.00 24.97 ? 45 LEU E N 1 +ATOM 4818 C CA . LEU E 5 45 ? 4.168 30.493 11.138 1.00 24.42 ? 45 LEU E CA 1 +ATOM 4819 C C . LEU E 5 45 ? 5.215 29.699 10.365 1.00 23.86 ? 45 LEU E C 1 +ATOM 4820 O O . LEU E 5 45 ? 5.406 28.501 10.592 1.00 29.16 ? 45 LEU E O 1 +ATOM 4821 C CB . LEU E 5 45 ? 4.700 30.892 12.523 1.00 24.05 ? 45 LEU E CB 1 +ATOM 4822 C CG . LEU E 5 45 ? 5.888 31.859 12.642 1.00 13.48 ? 45 LEU E CG 1 +ATOM 4823 C CD1 . LEU E 5 45 ? 5.431 33.262 12.414 1.00 11.28 ? 45 LEU E CD1 1 +ATOM 4824 C CD2 . LEU E 5 45 ? 6.482 31.766 14.015 1.00 16.46 ? 45 LEU E CD2 1 +ATOM 4825 N N . ILE E 5 46 ? 5.904 30.384 9.467 1.00 20.55 ? 46 ILE E N 1 +ATOM 4826 C CA . ILE E 5 46 ? 6.925 29.774 8.628 1.00 15.59 ? 46 ILE E CA 1 +ATOM 4827 C C . ILE E 5 46 ? 8.257 30.141 9.259 1.00 17.11 ? 46 ILE E C 1 +ATOM 4828 O O . ILE E 5 46 ? 9.023 29.272 9.657 1.00 26.92 ? 46 ILE E O 1 +ATOM 4829 C CB . ILE E 5 46 ? 6.832 30.343 7.145 1.00 18.98 ? 46 ILE E CB 1 +ATOM 4830 C CG1 . ILE E 5 46 ? 5.498 29.975 6.496 1.00 13.86 ? 46 ILE E CG1 1 +ATOM 4831 C CG2 . ILE E 5 46 ? 7.935 29.789 6.248 1.00 18.75 ? 46 ILE E CG2 1 +ATOM 4832 C CD1 . ILE E 5 46 ? 5.257 30.706 5.216 1.00 13.85 ? 46 ILE E CD1 1 +ATOM 4833 N N . HIS E 5 47 ? 8.522 31.440 9.350 1.00 16.07 ? 47 HIS E N 1 +ATOM 4834 C CA . HIS E 5 47 ? 9.750 31.982 9.921 1.00 13.81 ? 47 HIS E CA 1 +ATOM 4835 C C . HIS E 5 47 ? 9.369 33.322 10.501 1.00 16.07 ? 47 HIS E C 1 +ATOM 4836 O O . HIS E 5 47 ? 8.359 33.903 10.105 1.00 22.96 ? 47 HIS E O 1 +ATOM 4837 C CB . HIS E 5 47 ? 10.785 32.264 8.834 1.00 27.49 ? 47 HIS E CB 1 +ATOM 4838 C CG . HIS E 5 47 ? 11.608 31.076 8.427 1.00 34.29 ? 47 HIS E CG 1 +ATOM 4839 N ND1 . HIS E 5 47 ? 11.217 30.211 7.429 1.00 35.80 ? 47 HIS E ND1 1 +ATOM 4840 C CD2 . HIS E 5 47 ? 12.833 30.669 8.825 1.00 38.97 ? 47 HIS E CD2 1 +ATOM 4841 C CE1 . HIS E 5 47 ? 12.173 29.321 7.225 1.00 38.67 ? 47 HIS E CE1 1 +ATOM 4842 N NE2 . HIS E 5 47 ? 13.164 29.572 8.054 1.00 41.07 ? 47 HIS E NE2 1 +ATOM 4843 N N . TYR E 5 48 ? 10.177 33.829 11.420 1.00 20.53 ? 48 TYR E N 1 +ATOM 4844 C CA . TYR E 5 48 ? 9.920 35.131 12.030 1.00 20.69 ? 48 TYR E CA 1 +ATOM 4845 C C . TYR E 5 48 ? 11.261 35.763 12.291 1.00 19.04 ? 48 TYR E C 1 +ATOM 4846 O O . TYR E 5 48 ? 12.269 35.066 12.383 1.00 18.53 ? 48 TYR E O 1 +ATOM 4847 C CB . TYR E 5 48 ? 9.150 34.996 13.350 1.00 27.62 ? 48 TYR E CB 1 +ATOM 4848 C CG . TYR E 5 48 ? 9.931 34.327 14.457 1.00 31.57 ? 48 TYR E CG 1 +ATOM 4849 C CD1 . TYR E 5 48 ? 9.961 32.938 14.574 1.00 34.67 ? 48 TYR E CD1 1 +ATOM 4850 C CD2 . TYR E 5 48 ? 10.673 35.081 15.366 1.00 35.47 ? 48 TYR E CD2 1 +ATOM 4851 C CE1 . TYR E 5 48 ? 10.721 32.310 15.565 1.00 37.92 ? 48 TYR E CE1 1 +ATOM 4852 C CE2 . TYR E 5 48 ? 11.439 34.467 16.358 1.00 38.19 ? 48 TYR E CE2 1 +ATOM 4853 C CZ . TYR E 5 48 ? 11.458 33.078 16.453 1.00 39.39 ? 48 TYR E CZ 1 +ATOM 4854 O OH . TYR E 5 48 ? 12.236 32.454 17.412 1.00 44.15 ? 48 TYR E OH 1 +ATOM 4855 N N . SER E 5 49 ? 11.275 37.077 12.443 1.00 21.16 ? 49 SER E N 1 +ATOM 4856 C CA . SER E 5 49 ? 12.518 37.786 12.698 1.00 23.03 ? 49 SER E CA 1 +ATOM 4857 C C . SER E 5 49 ? 12.259 38.756 13.823 1.00 25.04 ? 49 SER E C 1 +ATOM 4858 O O . SER E 5 49 ? 11.329 39.560 13.766 1.00 31.05 ? 49 SER E O 1 +ATOM 4859 C CB . SER E 5 49 ? 12.972 38.533 11.454 1.00 18.47 ? 49 SER E CB 1 +ATOM 4860 O OG . SER E 5 49 ? 14.226 39.152 11.650 1.00 20.23 ? 49 SER E OG 1 +ATOM 4861 N N . VAL E 5 50 ? 13.050 38.632 14.879 1.00 25.25 ? 50 VAL E N 1 +ATOM 4862 C CA . VAL E 5 50 ? 12.895 39.498 16.033 1.00 23.20 ? 50 VAL E CA 1 +ATOM 4863 C C . VAL E 5 50 ? 13.622 40.803 15.794 1.00 27.30 ? 50 VAL E C 1 +ATOM 4864 O O . VAL E 5 50 ? 13.505 41.719 16.600 1.00 33.92 ? 50 VAL E O 1 +ATOM 4865 C CB . VAL E 5 50 ? 13.394 38.832 17.358 1.00 16.89 ? 50 VAL E CB 1 +ATOM 4866 C CG1 . VAL E 5 50 ? 12.692 37.496 17.583 1.00 8.05 ? 50 VAL E CG1 1 +ATOM 4867 C CG2 . VAL E 5 50 ? 14.912 38.664 17.364 1.00 9.63 ? 50 VAL E CG2 1 +ATOM 4868 N N . GLY E 5 51 ? 14.380 40.885 14.703 1.00 23.58 ? 51 GLY E N 1 +ATOM 4869 C CA . GLY E 5 51 ? 15.098 42.108 14.428 1.00 27.34 ? 51 GLY E CA 1 +ATOM 4870 C C . GLY E 5 51 ? 16.181 41.993 13.386 1.00 28.53 ? 51 GLY E C 1 +ATOM 4871 O O . GLY E 5 51 ? 16.611 40.897 13.035 1.00 33.16 ? 51 GLY E O 1 +ATOM 4872 N N . ALA E 5 52 ? 16.663 43.146 12.940 1.00 27.73 ? 52 ALA E N 1 +ATOM 4873 C CA . ALA E 5 52 ? 17.690 43.210 11.928 1.00 26.74 ? 52 ALA E CA 1 +ATOM 4874 C C . ALA E 5 52 ? 18.818 42.214 12.174 1.00 30.82 ? 52 ALA E C 1 +ATOM 4875 O O . ALA E 5 52 ? 19.384 42.155 13.262 1.00 38.09 ? 52 ALA E O 1 +ATOM 4876 C CB . ALA E 5 52 ? 18.234 44.640 11.834 1.00 22.30 ? 52 ALA E CB 1 +ATOM 4877 N N . GLY E 5 53 ? 19.062 41.371 11.179 1.00 35.44 ? 53 GLY E N 1 +ATOM 4878 C CA . GLY E 5 53 ? 20.136 40.398 11.237 1.00 33.44 ? 53 GLY E CA 1 +ATOM 4879 C C . GLY E 5 53 ? 19.825 39.109 11.950 1.00 35.06 ? 53 GLY E C 1 +ATOM 4880 O O . GLY E 5 53 ? 20.656 38.202 11.979 1.00 39.95 ? 53 GLY E O 1 +ATOM 4881 N N . ILE E 5 54 ? 18.617 38.989 12.474 1.00 32.54 ? 54 ILE E N 1 +ATOM 4882 C CA . ILE E 5 54 ? 18.261 37.797 13.217 1.00 33.29 ? 54 ILE E CA 1 +ATOM 4883 C C . ILE E 5 54 ? 17.061 37.112 12.590 1.00 36.25 ? 54 ILE E C 1 +ATOM 4884 O O . ILE E 5 54 ? 16.111 37.771 12.184 1.00 31.60 ? 54 ILE E O 1 +ATOM 4885 C CB . ILE E 5 54 ? 17.935 38.192 14.681 1.00 37.78 ? 54 ILE E CB 1 +ATOM 4886 C CG1 . ILE E 5 54 ? 19.103 38.969 15.294 1.00 30.07 ? 54 ILE E CG1 1 +ATOM 4887 C CG2 . ILE E 5 54 ? 17.600 36.949 15.503 1.00 38.33 ? 54 ILE E CG2 1 +ATOM 4888 C CD1 . ILE E 5 54 ? 18.686 40.020 16.286 1.00 41.28 ? 54 ILE E CD1 1 +ATOM 4889 N N . THR E 5 55 ? 17.076 35.777 12.548 1.00 40.37 ? 55 THR E N 1 +ATOM 4890 C CA . THR E 5 55 ? 15.966 35.006 11.959 1.00 42.94 ? 55 THR E CA 1 +ATOM 4891 C C . THR E 5 55 ? 15.858 33.642 12.634 1.00 40.26 ? 55 THR E C 1 +ATOM 4892 O O . THR E 5 55 ? 16.868 33.070 13.064 1.00 45.62 ? 55 THR E O 1 +ATOM 4893 C CB . THR E 5 55 ? 16.161 34.738 10.430 1.00 44.55 ? 55 THR E CB 1 +ATOM 4894 O OG1 . THR E 5 55 ? 17.398 34.048 10.215 1.00 53.14 ? 55 THR E OG1 1 +ATOM 4895 C CG2 . THR E 5 55 ? 16.162 36.048 9.634 1.00 44.24 ? 55 THR E CG2 1 +ATOM 4896 N N . ASP E 5 56 ? 14.643 33.093 12.696 1.00 32.35 ? 56 ASP E N 1 +ATOM 4897 C CA . ASP E 5 56 ? 14.429 31.781 13.292 1.00 32.67 ? 56 ASP E CA 1 +ATOM 4898 C C . ASP E 5 56 ? 13.182 31.155 12.719 1.00 33.15 ? 56 ASP E C 1 +ATOM 4899 O O . ASP E 5 56 ? 12.255 31.854 12.313 1.00 30.59 ? 56 ASP E O 1 +ATOM 4900 C CB . ASP E 5 56 ? 14.327 31.868 14.817 1.00 44.15 ? 56 ASP E CB 1 +ATOM 4901 C CG . ASP E 5 56 ? 15.354 30.987 15.529 1.00 44.99 ? 56 ASP E CG 1 +ATOM 4902 O OD1 . ASP E 5 56 ? 16.559 31.324 15.483 1.00 42.63 ? 56 ASP E OD1 1 +ATOM 4903 O OD2 . ASP E 5 56 ? 14.948 29.964 16.135 1.00 45.54 ? 56 ASP E OD2 1 +ATOM 4904 N N . GLN E 5 57 ? 13.173 29.827 12.689 1.00 35.01 ? 57 GLN E N 1 +ATOM 4905 C CA . GLN E 5 57 ? 12.066 29.072 12.126 1.00 35.12 ? 57 GLN E CA 1 +ATOM 4906 C C . GLN E 5 57 ? 10.843 28.963 13.001 1.00 34.13 ? 57 GLN E C 1 +ATOM 4907 O O . GLN E 5 57 ? 10.939 29.069 14.217 1.00 39.04 ? 57 GLN E O 1 +ATOM 4908 C CB . GLN E 5 57 ? 12.530 27.680 11.691 1.00 42.29 ? 57 GLN E CB 1 +ATOM 4909 C CG . GLN E 5 57 ? 13.269 26.891 12.748 1.00 59.72 ? 57 GLN E CG 1 +ATOM 4910 C CD . GLN E 5 57 ? 13.993 25.680 12.169 1.00 67.95 ? 57 GLN E CD 1 +ATOM 4911 O OE1 . GLN E 5 57 ? 14.703 25.785 11.161 1.00 65.20 ? 57 GLN E OE1 1 +ATOM 4912 N NE2 . GLN E 5 57 ? 13.837 24.528 12.820 1.00 72.87 ? 57 GLN E NE2 1 +ATOM 4913 N N . GLY E 5 58 ? 9.698 28.768 12.354 1.00 27.53 ? 58 GLY E N 1 +ATOM 4914 C CA . GLY E 5 58 ? 8.439 28.627 13.047 1.00 27.52 ? 58 GLY E CA 1 +ATOM 4915 C C . GLY E 5 58 ? 7.942 27.196 12.958 1.00 31.75 ? 58 GLY E C 1 +ATOM 4916 O O . GLY E 5 58 ? 8.747 26.260 12.938 1.00 36.89 ? 58 GLY E O 1 +ATOM 4917 N N . GLU E 5 59 ? 6.626 27.022 12.848 1.00 31.16 ? 59 GLU E N 1 +ATOM 4918 C CA . GLU E 5 59 ? 6.023 25.689 12.781 1.00 35.54 ? 59 GLU E CA 1 +ATOM 4919 C C . GLU E 5 59 ? 6.368 24.960 11.485 1.00 38.67 ? 59 GLU E C 1 +ATOM 4920 O O . GLU E 5 59 ? 6.962 23.880 11.513 1.00 43.16 ? 59 GLU E O 1 +ATOM 4921 C CB . GLU E 5 59 ? 4.494 25.778 12.959 1.00 31.21 ? 59 GLU E CB 1 +ATOM 4922 C CG . GLU E 5 59 ? 3.747 24.432 13.029 1.00 33.33 ? 59 GLU E CG 1 +ATOM 4923 C CD . GLU E 5 59 ? 2.215 24.572 13.100 1.00 39.09 ? 59 GLU E CD 1 +ATOM 4924 O OE1 . GLU E 5 59 ? 1.705 25.710 13.182 1.00 43.27 ? 59 GLU E OE1 1 +ATOM 4925 O OE2 . GLU E 5 59 ? 1.508 23.538 13.073 1.00 42.65 ? 59 GLU E OE2 1 +ATOM 4926 N N . VAL E 5 60 ? 6.060 25.590 10.355 1.00 42.46 ? 60 VAL E N 1 +ATOM 4927 C CA . VAL E 5 60 ? 6.289 25.003 9.029 1.00 37.84 ? 60 VAL E CA 1 +ATOM 4928 C C . VAL E 5 60 ? 7.338 25.740 8.200 1.00 35.16 ? 60 VAL E C 1 +ATOM 4929 O O . VAL E 5 60 ? 7.011 26.390 7.208 1.00 36.25 ? 60 VAL E O 1 +ATOM 4930 C CB . VAL E 5 60 ? 4.961 24.949 8.242 1.00 36.31 ? 60 VAL E CB 1 +ATOM 4931 C CG1 . VAL E 5 60 ? 4.060 23.878 8.837 1.00 37.78 ? 60 VAL E CG1 1 +ATOM 4932 C CG2 . VAL E 5 60 ? 4.250 26.319 8.287 1.00 24.74 ? 60 VAL E CG2 1 +ATOM 4933 N N . PRO E 5 61 ? 8.621 25.609 8.572 1.00 33.29 ? 61 PRO E N 1 +ATOM 4934 C CA . PRO E 5 61 ? 9.750 26.253 7.894 1.00 35.12 ? 61 PRO E CA 1 +ATOM 4935 C C . PRO E 5 61 ? 10.396 25.508 6.712 1.00 38.07 ? 61 PRO E C 1 +ATOM 4936 O O . PRO E 5 61 ? 11.282 26.059 6.042 1.00 39.36 ? 61 PRO E O 1 +ATOM 4937 C CB . PRO E 5 61 ? 10.753 26.405 9.030 1.00 31.40 ? 61 PRO E CB 1 +ATOM 4938 C CG . PRO E 5 61 ? 10.603 25.095 9.721 1.00 29.39 ? 61 PRO E CG 1 +ATOM 4939 C CD . PRO E 5 61 ? 9.087 24.931 9.798 1.00 27.92 ? 61 PRO E CD 1 +ATOM 4940 N N . ASN E 5 62 ? 9.988 24.268 6.471 1.00 39.84 ? 62 ASN E N 1 +ATOM 4941 C CA . ASN E 5 62 ? 10.573 23.473 5.390 1.00 43.78 ? 62 ASN E CA 1 +ATOM 4942 C C . ASN E 5 62 ? 10.242 23.963 3.982 1.00 42.13 ? 62 ASN E C 1 +ATOM 4943 O O . ASN E 5 62 ? 9.066 24.078 3.613 1.00 43.03 ? 62 ASN E O 1 +ATOM 4944 C CB . ASN E 5 62 ? 10.165 22.001 5.530 1.00 50.09 ? 62 ASN E CB 1 +ATOM 4945 C CG . ASN E 5 62 ? 10.906 21.291 6.655 1.00 51.59 ? 62 ASN E CG 1 +ATOM 4946 O OD1 . ASN E 5 62 ? 12.018 21.679 7.033 1.00 49.71 ? 62 ASN E OD1 1 +ATOM 4947 N ND2 . ASN E 5 62 ? 10.291 20.245 7.194 1.00 51.22 ? 62 ASN E ND2 1 +ATOM 4948 N N . GLY E 5 63 ? 11.287 24.244 3.204 1.00 36.16 ? 63 GLY E N 1 +ATOM 4949 C CA . GLY E 5 63 ? 11.104 24.702 1.841 1.00 31.58 ? 63 GLY E CA 1 +ATOM 4950 C C . GLY E 5 63 ? 11.340 26.182 1.618 1.00 31.89 ? 63 GLY E C 1 +ATOM 4951 O O . GLY E 5 63 ? 11.593 26.632 0.481 1.00 33.99 ? 63 GLY E O 1 +ATOM 4952 N N . TYR E 5 64 ? 11.272 26.950 2.697 1.00 27.76 ? 65 TYR E N 1 +ATOM 4953 C CA . TYR E 5 64 ? 11.471 28.384 2.603 1.00 26.93 ? 65 TYR E CA 1 +ATOM 4954 C C . TYR E 5 64 ? 12.715 28.816 3.356 1.00 29.55 ? 65 TYR E C 1 +ATOM 4955 O O . TYR E 5 64 ? 13.125 28.206 4.338 1.00 34.04 ? 65 TYR E O 1 +ATOM 4956 C CB . TYR E 5 64 ? 10.276 29.157 3.168 1.00 24.83 ? 65 TYR E CB 1 +ATOM 4957 C CG . TYR E 5 64 ? 8.900 28.624 2.804 1.00 24.14 ? 65 TYR E CG 1 +ATOM 4958 C CD1 . TYR E 5 64 ? 8.324 27.585 3.539 1.00 21.94 ? 65 TYR E CD1 1 +ATOM 4959 C CD2 . TYR E 5 64 ? 8.149 29.187 1.762 1.00 14.44 ? 65 TYR E CD2 1 +ATOM 4960 C CE1 . TYR E 5 64 ? 7.046 27.123 3.259 1.00 13.37 ? 65 TYR E CE1 1 +ATOM 4961 C CE2 . TYR E 5 64 ? 6.866 28.730 1.488 1.00 7.45 ? 65 TYR E CE2 1 +ATOM 4962 C CZ . TYR E 5 64 ? 6.328 27.700 2.239 1.00 8.09 ? 65 TYR E CZ 1 +ATOM 4963 O OH . TYR E 5 64 ? 5.050 27.253 2.000 1.00 23.58 ? 65 TYR E OH 1 +ATOM 4964 N N . ASN E 5 65 ? 13.325 29.871 2.853 1.00 32.54 ? 66 ASN E N 1 +ATOM 4965 C CA . ASN E 5 65 ? 14.502 30.473 3.444 1.00 29.94 ? 66 ASN E CA 1 +ATOM 4966 C C . ASN E 5 65 ? 14.011 31.871 3.746 1.00 31.20 ? 66 ASN E C 1 +ATOM 4967 O O . ASN E 5 65 ? 12.962 32.282 3.255 1.00 31.85 ? 66 ASN E O 1 +ATOM 4968 C CB . ASN E 5 65 ? 15.642 30.564 2.434 1.00 34.67 ? 66 ASN E CB 1 +ATOM 4969 C CG . ASN E 5 65 ? 16.449 29.277 2.338 1.00 48.39 ? 66 ASN E CG 1 +ATOM 4970 O OD1 . ASN E 5 65 ? 17.653 29.257 2.651 1.00 49.45 ? 66 ASN E OD1 1 +ATOM 4971 N ND2 . ASN E 5 65 ? 15.803 28.196 1.888 1.00 43.57 ? 66 ASN E ND2 1 +ATOM 4972 N N . VAL E 5 66 ? 14.725 32.598 4.585 1.00 33.18 ? 67 VAL E N 1 +ATOM 4973 C CA . VAL E 5 66 ? 14.301 33.948 4.891 1.00 32.66 ? 67 VAL E CA 1 +ATOM 4974 C C . VAL E 5 66 ? 15.518 34.709 5.352 1.00 34.14 ? 67 VAL E C 1 +ATOM 4975 O O . VAL E 5 66 ? 16.524 34.094 5.721 1.00 37.14 ? 67 VAL E O 1 +ATOM 4976 C CB . VAL E 5 66 ? 13.169 33.941 5.931 1.00 35.22 ? 67 VAL E CB 1 +ATOM 4977 C CG1 . VAL E 5 66 ? 13.721 33.952 7.364 1.00 35.90 ? 67 VAL E CG1 1 +ATOM 4978 C CG2 . VAL E 5 66 ? 12.211 35.065 5.645 1.00 33.62 ? 67 VAL E CG2 1 +ATOM 4979 N N . SER E 5 67 ? 15.480 36.031 5.236 1.00 34.42 ? 68 SER E N 1 +ATOM 4980 C CA . SER E 5 67 ? 16.619 36.855 5.640 1.00 35.07 ? 68 SER E CA 1 +ATOM 4981 C C . SER E 5 67 ? 16.129 38.221 6.097 1.00 33.10 ? 68 SER E C 1 +ATOM 4982 O O . SER E 5 67 ? 14.987 38.603 5.815 1.00 32.13 ? 68 SER E O 1 +ATOM 4983 C CB . SER E 5 67 ? 17.635 36.984 4.492 1.00 38.20 ? 68 SER E CB 1 +ATOM 4984 O OG . SER E 5 67 ? 17.007 37.361 3.274 1.00 47.19 ? 68 SER E OG 1 +ATOM 4985 N N . ARG E 5 68 ? 16.996 38.956 6.786 1.00 32.37 ? 69 ARG E N 1 +ATOM 4986 C CA . ARG E 5 68 ? 16.627 40.263 7.324 1.00 32.78 ? 69 ARG E CA 1 +ATOM 4987 C C . ARG E 5 68 ? 17.853 41.161 7.437 1.00 33.70 ? 69 ARG E C 1 +ATOM 4988 O O . ARG E 5 68 ? 18.416 41.300 8.513 1.00 40.27 ? 69 ARG E O 1 +ATOM 4989 C CB . ARG E 5 68 ? 16.017 40.061 8.718 1.00 27.68 ? 69 ARG E CB 1 +ATOM 4990 C CG . ARG E 5 68 ? 15.496 41.298 9.374 1.00 29.64 ? 69 ARG E CG 1 +ATOM 4991 C CD . ARG E 5 68 ? 14.150 41.666 8.821 1.00 32.74 ? 69 ARG E CD 1 +ATOM 4992 N NE . ARG E 5 68 ? 13.584 42.814 9.523 1.00 37.94 ? 69 ARG E NE 1 +ATOM 4993 C CZ . ARG E 5 68 ? 13.013 42.749 10.721 1.00 37.74 ? 69 ARG E CZ 1 +ATOM 4994 N NH1 . ARG E 5 68 ? 12.930 41.585 11.354 1.00 34.15 ? 69 ARG E NH1 1 +ATOM 4995 N NH2 . ARG E 5 68 ? 12.528 43.849 11.285 1.00 33.65 ? 69 ARG E NH2 1 +ATOM 4996 N N . SER E 5 69 ? 18.293 41.752 6.337 1.00 35.24 ? 70 SER E N 1 +ATOM 4997 C CA . SER E 5 69 ? 19.468 42.618 6.378 1.00 36.18 ? 70 SER E CA 1 +ATOM 4998 C C . SER E 5 69 ? 19.063 44.043 6.703 1.00 36.80 ? 70 SER E C 1 +ATOM 4999 O O . SER E 5 69 ? 19.908 44.912 6.930 1.00 39.73 ? 70 SER E O 1 +ATOM 5000 C CB . SER E 5 69 ? 20.217 42.556 5.047 1.00 37.81 ? 70 SER E CB 1 +ATOM 5001 O OG . SER E 5 69 ? 19.356 42.100 4.017 1.00 43.02 ? 70 SER E OG 1 +ATOM 5002 N N . THR E 5 70 ? 17.756 44.275 6.713 1.00 34.40 ? 71 THR E N 1 +ATOM 5003 C CA . THR E 5 70 ? 17.199 45.578 7.021 1.00 33.57 ? 71 THR E CA 1 +ATOM 5004 C C . THR E 5 70 ? 15.987 45.396 7.919 1.00 31.36 ? 71 THR E C 1 +ATOM 5005 O O . THR E 5 70 ? 15.362 44.349 7.919 1.00 34.46 ? 71 THR E O 1 +ATOM 5006 C CB . THR E 5 70 ? 16.759 46.275 5.757 1.00 35.75 ? 71 THR E CB 1 +ATOM 5007 O OG1 . THR E 5 70 ? 16.115 45.324 4.894 1.00 38.76 ? 71 THR E OG1 1 +ATOM 5008 C CG2 . THR E 5 70 ? 17.949 46.890 5.068 1.00 41.55 ? 71 THR E CG2 1 +ATOM 5009 N N . THR E 5 71 ? 15.674 46.400 8.717 1.00 29.58 ? 72 THR E N 1 +ATOM 5010 C CA . THR E 5 71 ? 14.527 46.295 9.591 1.00 32.65 ? 72 THR E CA 1 +ATOM 5011 C C . THR E 5 71 ? 13.269 46.570 8.777 1.00 31.59 ? 72 THR E C 1 +ATOM 5012 O O . THR E 5 71 ? 12.158 46.240 9.184 1.00 35.78 ? 72 THR E O 1 +ATOM 5013 C CB . THR E 5 71 ? 14.643 47.275 10.791 1.00 36.96 ? 72 THR E CB 1 +ATOM 5014 O OG1 . THR E 5 71 ? 13.359 47.445 11.408 1.00 42.51 ? 72 THR E OG1 1 +ATOM 5015 C CG2 . THR E 5 71 ? 15.185 48.629 10.343 1.00 30.91 ? 72 THR E CG2 1 +ATOM 5016 N N . GLU E 5 72 ? 13.463 47.140 7.597 1.00 30.79 ? 73 GLU E N 1 +ATOM 5017 C CA . GLU E 5 72 ? 12.353 47.482 6.725 1.00 29.47 ? 73 GLU E CA 1 +ATOM 5018 C C . GLU E 5 72 ? 11.804 46.325 5.899 1.00 27.30 ? 73 GLU E C 1 +ATOM 5019 O O . GLU E 5 72 ? 10.586 46.241 5.719 1.00 30.76 ? 73 GLU E O 1 +ATOM 5020 C CB . GLU E 5 72 ? 12.741 48.641 5.802 1.00 33.99 ? 73 GLU E CB 1 +ATOM 5021 C CG . GLU E 5 72 ? 12.984 49.970 6.518 1.00 42.48 ? 73 GLU E CG 1 +ATOM 5022 C CD . GLU E 5 72 ? 14.457 50.302 6.744 1.00 45.45 ? 73 GLU E CD 1 +ATOM 5023 O OE1 . GLU E 5 72 ? 15.327 49.419 6.598 1.00 47.70 ? 73 GLU E OE1 1 +ATOM 5024 O OE2 . GLU E 5 72 ? 14.749 51.473 7.066 1.00 54.89 ? 73 GLU E OE2 1 +ATOM 5025 N N . ASP E 5 73 ? 12.677 45.410 5.454 1.00 24.01 ? 74 ASP E N 1 +ATOM 5026 C CA . ASP E 5 73 ? 12.257 44.279 4.609 1.00 20.12 ? 74 ASP E CA 1 +ATOM 5027 C C . ASP E 5 73 ? 12.551 42.906 5.183 1.00 16.76 ? 74 ASP E C 1 +ATOM 5028 O O . ASP E 5 73 ? 13.587 42.705 5.786 1.00 20.65 ? 74 ASP E O 1 +ATOM 5029 C CB . ASP E 5 73 ? 12.921 44.364 3.220 1.00 32.50 ? 74 ASP E CB 1 +ATOM 5030 C CG . ASP E 5 73 ? 12.879 45.772 2.616 1.00 32.71 ? 74 ASP E CG 1 +ATOM 5031 O OD1 . ASP E 5 73 ? 11.799 46.199 2.131 1.00 30.48 ? 74 ASP E OD1 1 +ATOM 5032 O OD2 . ASP E 5 73 ? 13.942 46.441 2.634 1.00 33.30 ? 74 ASP E OD2 1 +ATOM 5033 N N . PHE E 5 74 ? 11.672 41.949 4.893 1.00 21.48 ? 75 PHE E N 1 +ATOM 5034 C CA . PHE E 5 74 ? 11.783 40.548 5.352 1.00 21.67 ? 75 PHE E CA 1 +ATOM 5035 C C . PHE E 5 74 ? 11.276 39.644 4.183 1.00 23.16 ? 75 PHE E C 1 +ATOM 5036 O O . PHE E 5 74 ? 10.118 39.222 4.168 1.00 23.83 ? 75 PHE E O 1 +ATOM 5037 C CB . PHE E 5 74 ? 10.905 40.363 6.620 1.00 17.45 ? 75 PHE E CB 1 +ATOM 5038 C CG . PHE E 5 74 ? 11.091 39.034 7.323 1.00 17.97 ? 75 PHE E CG 1 +ATOM 5039 C CD1 . PHE E 5 74 ? 12.370 38.567 7.649 1.00 17.87 ? 75 PHE E CD1 1 +ATOM 5040 C CD2 . PHE E 5 74 ? 9.987 38.233 7.632 1.00 13.49 ? 75 PHE E CD2 1 +ATOM 5041 C CE1 . PHE E 5 74 ? 12.544 37.310 8.269 1.00 15.43 ? 75 PHE E CE1 1 +ATOM 5042 C CE2 . PHE E 5 74 ? 10.145 36.986 8.246 1.00 10.22 ? 75 PHE E CE2 1 +ATOM 5043 C CZ . PHE E 5 74 ? 11.424 36.521 8.563 1.00 9.07 ? 75 PHE E CZ 1 +ATOM 5044 N N . PRO E 5 75 ? 12.129 39.367 3.181 1.00 20.65 ? 76 PRO E N 1 +ATOM 5045 C CA . PRO E 5 75 ? 11.807 38.545 2.001 1.00 17.07 ? 76 PRO E CA 1 +ATOM 5046 C C . PRO E 5 75 ? 11.730 37.030 2.172 1.00 21.28 ? 76 PRO E C 1 +ATOM 5047 O O . PRO E 5 75 ? 12.697 36.390 2.596 1.00 28.69 ? 76 PRO E O 1 +ATOM 5048 C CB . PRO E 5 75 ? 12.922 38.906 1.029 1.00 22.94 ? 76 PRO E CB 1 +ATOM 5049 C CG . PRO E 5 75 ? 14.101 39.100 1.936 1.00 22.67 ? 76 PRO E CG 1 +ATOM 5050 C CD . PRO E 5 75 ? 13.507 39.895 3.097 1.00 21.80 ? 76 PRO E CD 1 +ATOM 5051 N N . LEU E 5 76 ? 10.620 36.448 1.735 1.00 18.53 ? 77 LEU E N 1 +ATOM 5052 C CA . LEU E 5 76 ? 10.401 35.007 1.825 1.00 16.76 ? 77 LEU E CA 1 +ATOM 5053 C C . LEU E 5 76 ? 10.755 34.250 0.539 1.00 23.22 ? 77 LEU E C 1 +ATOM 5054 O O . LEU E 5 76 ? 9.991 34.283 -0.418 1.00 29.09 ? 77 LEU E O 1 +ATOM 5055 C CB . LEU E 5 76 ? 8.937 34.741 2.148 1.00 14.15 ? 77 LEU E CB 1 +ATOM 5056 C CG . LEU E 5 76 ? 8.533 33.275 2.116 1.00 13.38 ? 77 LEU E CG 1 +ATOM 5057 C CD1 . LEU E 5 76 ? 9.439 32.502 3.065 1.00 14.81 ? 77 LEU E CD1 1 +ATOM 5058 C CD2 . LEU E 5 76 ? 7.062 33.105 2.489 1.00 9.27 ? 77 LEU E CD2 1 +ATOM 5059 N N . ARG E 5 77 ? 11.844 33.489 0.550 1.00 22.41 ? 78 ARG E N 1 +ATOM 5060 C CA . ARG E 5 77 ? 12.278 32.725 -0.625 1.00 17.94 ? 78 ARG E CA 1 +ATOM 5061 C C . ARG E 5 77 ? 11.860 31.271 -0.662 1.00 18.89 ? 78 ARG E C 1 +ATOM 5062 O O . ARG E 5 77 ? 11.974 30.557 0.321 1.00 26.03 ? 78 ARG E O 1 +ATOM 5063 C CB . ARG E 5 77 ? 13.817 32.807 -0.795 1.00 12.27 ? 78 ARG E CB 1 +ATOM 5064 N N . LEU E 5 78 ? 11.319 30.858 -1.798 1.00 26.58 ? 79 LEU E N 1 +ATOM 5065 C CA . LEU E 5 78 ? 10.955 29.465 -2.065 1.00 30.29 ? 79 LEU E CA 1 +ATOM 5066 C C . LEU E 5 78 ? 12.098 29.061 -3.031 1.00 34.84 ? 79 LEU E C 1 +ATOM 5067 O O . LEU E 5 78 ? 12.127 29.516 -4.182 1.00 33.66 ? 79 LEU E O 1 +ATOM 5068 C CB . LEU E 5 78 ? 9.596 29.368 -2.788 1.00 21.05 ? 79 LEU E CB 1 +ATOM 5069 C CG . LEU E 5 78 ? 8.258 29.462 -2.042 1.00 21.18 ? 79 LEU E CG 1 +ATOM 5070 C CD1 . LEU E 5 78 ? 7.958 30.870 -1.593 1.00 23.99 ? 79 LEU E CD1 1 +ATOM 5071 C CD2 . LEU E 5 78 ? 7.146 28.979 -2.943 1.00 15.42 ? 79 LEU E CD2 1 +ATOM 5072 N N . LEU E 5 79 ? 13.065 28.269 -2.564 1.00 37.05 ? 80 LEU E N 1 +ATOM 5073 C CA . LEU E 5 79 ? 14.192 27.907 -3.425 1.00 36.70 ? 80 LEU E CA 1 +ATOM 5074 C C . LEU E 5 79 ? 13.894 27.033 -4.649 1.00 34.86 ? 80 LEU E C 1 +ATOM 5075 O O . LEU E 5 79 ? 14.579 27.140 -5.663 1.00 33.14 ? 80 LEU E O 1 +ATOM 5076 C CB . LEU E 5 79 ? 15.358 27.352 -2.604 1.00 45.16 ? 80 LEU E CB 1 +ATOM 5077 C CG . LEU E 5 79 ? 16.240 28.441 -1.966 1.00 52.37 ? 80 LEU E CG 1 +ATOM 5078 C CD1 . LEU E 5 79 ? 17.503 27.818 -1.369 1.00 54.14 ? 80 LEU E CD1 1 +ATOM 5079 C CD2 . LEU E 5 79 ? 16.641 29.481 -3.023 1.00 54.43 ? 80 LEU E CD2 1 +ATOM 5080 N N . SER E 5 80 ? 12.877 26.183 -4.553 1.00 31.80 ? 81 SER E N 1 +ATOM 5081 C CA . SER E 5 80 ? 12.461 25.321 -5.655 1.00 31.81 ? 81 SER E CA 1 +ATOM 5082 C C . SER E 5 80 ? 11.048 24.885 -5.334 1.00 26.50 ? 81 SER E C 1 +ATOM 5083 O O . SER E 5 80 ? 10.829 24.017 -4.499 1.00 27.66 ? 81 SER E O 1 +ATOM 5084 C CB . SER E 5 80 ? 13.400 24.115 -5.862 1.00 37.98 ? 81 SER E CB 1 +ATOM 5085 O OG . SER E 5 80 ? 13.399 23.210 -4.772 1.00 52.34 ? 81 SER E OG 1 +ATOM 5086 N N . ALA E 5 81 ? 10.092 25.541 -5.983 1.00 23.49 ? 82 ALA E N 1 +ATOM 5087 C CA . ALA E 5 81 ? 8.680 25.305 -5.761 1.00 19.68 ? 82 ALA E CA 1 +ATOM 5088 C C . ALA E 5 81 ? 8.208 23.851 -5.809 1.00 24.94 ? 82 ALA E C 1 +ATOM 5089 O O . ALA E 5 81 ? 8.818 22.988 -6.463 1.00 28.22 ? 82 ALA E O 1 +ATOM 5090 C CB . ALA E 5 81 ? 7.861 26.178 -6.685 1.00 12.13 ? 82 ALA E CB 1 +ATOM 5091 N N . ALA E 5 82 ? 7.114 23.610 -5.087 1.00 24.24 ? 83 ALA E N 1 +ATOM 5092 C CA . ALA E 5 82 ? 6.477 22.307 -4.960 1.00 23.66 ? 83 ALA E CA 1 +ATOM 5093 C C . ALA E 5 82 ? 4.985 22.579 -4.779 1.00 26.55 ? 83 ALA E C 1 +ATOM 5094 O O . ALA E 5 82 ? 4.612 23.564 -4.141 1.00 30.50 ? 83 ALA E O 1 +ATOM 5095 C CB . ALA E 5 82 ? 7.024 21.587 -3.732 1.00 25.41 ? 83 ALA E CB 1 +ATOM 5096 N N . PRO E 5 83 ? 4.115 21.692 -5.298 1.00 20.04 ? 84 PRO E N 1 +ATOM 5097 C CA . PRO E 5 83 ? 2.656 21.802 -5.222 1.00 20.18 ? 84 PRO E CA 1 +ATOM 5098 C C . PRO E 5 83 ? 2.103 22.079 -3.836 1.00 27.82 ? 84 PRO E C 1 +ATOM 5099 O O . PRO E 5 83 ? 1.048 22.702 -3.688 1.00 29.81 ? 84 PRO E O 1 +ATOM 5100 C CB . PRO E 5 83 ? 2.201 20.453 -5.741 1.00 17.98 ? 84 PRO E CB 1 +ATOM 5101 C CG . PRO E 5 83 ? 3.255 20.134 -6.748 1.00 17.36 ? 84 PRO E CG 1 +ATOM 5102 C CD . PRO E 5 83 ? 4.501 20.479 -6.030 1.00 15.72 ? 84 PRO E CD 1 +ATOM 5103 N N . SER E 5 84 ? 2.813 21.607 -2.819 1.00 30.22 ? 85 SER E N 1 +ATOM 5104 C CA . SER E 5 84 ? 2.397 21.794 -1.434 1.00 29.29 ? 85 SER E CA 1 +ATOM 5105 C C . SER E 5 84 ? 2.466 23.259 -0.970 1.00 30.55 ? 85 SER E C 1 +ATOM 5106 O O . SER E 5 84 ? 1.725 23.671 -0.074 1.00 31.93 ? 85 SER E O 1 +ATOM 5107 C CB . SER E 5 84 ? 3.253 20.901 -0.529 1.00 31.14 ? 85 SER E CB 1 +ATOM 5108 O OG . SER E 5 84 ? 4.617 20.932 -0.927 1.00 32.85 ? 85 SER E OG 1 +ATOM 5109 N N . GLN E 5 85 ? 3.357 24.037 -1.580 1.00 30.18 ? 86 GLN E N 1 +ATOM 5110 C CA . GLN E 5 85 ? 3.524 25.441 -1.226 1.00 28.69 ? 86 GLN E CA 1 +ATOM 5111 C C . GLN E 5 85 ? 2.429 26.336 -1.826 1.00 29.28 ? 86 GLN E C 1 +ATOM 5112 O O . GLN E 5 85 ? 2.481 27.565 -1.741 1.00 28.86 ? 86 GLN E O 1 +ATOM 5113 C CB . GLN E 5 85 ? 4.923 25.911 -1.610 1.00 22.66 ? 86 GLN E CB 1 +ATOM 5114 C CG . GLN E 5 85 ? 5.990 24.941 -1.116 1.00 25.92 ? 86 GLN E CG 1 +ATOM 5115 C CD . GLN E 5 85 ? 7.385 25.505 -1.143 1.00 23.95 ? 86 GLN E CD 1 +ATOM 5116 O OE1 . GLN E 5 85 ? 8.326 24.862 -1.582 1.00 32.50 ? 86 GLN E OE1 1 +ATOM 5117 N NE2 . GLN E 5 85 ? 7.530 26.704 -0.643 1.00 42.68 ? 86 GLN E NE2 1 +ATOM 5118 N N . THR E 5 86 ? 1.422 25.701 -2.412 1.00 28.26 ? 87 THR E N 1 +ATOM 5119 C CA . THR E 5 86 ? 0.295 26.401 -3.002 1.00 26.71 ? 87 THR E CA 1 +ATOM 5120 C C . THR E 5 86 ? -0.543 26.911 -1.837 1.00 28.63 ? 87 THR E C 1 +ATOM 5121 O O . THR E 5 86 ? -1.185 26.126 -1.144 1.00 32.66 ? 87 THR E O 1 +ATOM 5122 C CB . THR E 5 86 ? -0.542 25.428 -3.867 1.00 20.06 ? 87 THR E CB 1 +ATOM 5123 O OG1 . THR E 5 86 ? 0.247 24.967 -4.966 1.00 18.81 ? 87 THR E OG1 1 +ATOM 5124 C CG2 . THR E 5 86 ? -1.784 26.098 -4.401 1.00 16.49 ? 87 THR E CG2 1 +ATOM 5125 N N . SER E 5 87 ? -0.538 28.221 -1.622 1.00 28.94 ? 88 SER E N 1 +ATOM 5126 C CA . SER E 5 87 ? -1.285 28.798 -0.518 1.00 30.51 ? 88 SER E CA 1 +ATOM 5127 C C . SER E 5 87 ? -1.321 30.320 -0.650 1.00 30.45 ? 88 SER E C 1 +ATOM 5128 O O . SER E 5 87 ? -0.913 30.872 -1.668 1.00 32.34 ? 88 SER E O 1 +ATOM 5129 C CB . SER E 5 87 ? -0.599 28.379 0.796 1.00 35.72 ? 88 SER E CB 1 +ATOM 5130 O OG . SER E 5 87 ? -1.325 28.765 1.946 1.00 40.28 ? 88 SER E OG 1 +ATOM 5131 N N . VAL E 5 88 ? -1.863 30.986 0.368 1.00 32.55 ? 89 VAL E N 1 +ATOM 5132 C CA . VAL E 5 88 ? -1.956 32.453 0.425 1.00 24.25 ? 89 VAL E CA 1 +ATOM 5133 C C . VAL E 5 88 ? -0.998 32.807 1.547 1.00 17.51 ? 89 VAL E C 1 +ATOM 5134 O O . VAL E 5 88 ? -1.130 32.270 2.631 1.00 16.05 ? 89 VAL E O 1 +ATOM 5135 C CB . VAL E 5 88 ? -3.374 32.906 0.813 1.00 21.37 ? 89 VAL E CB 1 +ATOM 5136 C CG1 . VAL E 5 88 ? -3.438 34.399 0.903 1.00 21.64 ? 89 VAL E CG1 1 +ATOM 5137 C CG2 . VAL E 5 88 ? -4.370 32.414 -0.209 1.00 22.40 ? 89 VAL E CG2 1 +ATOM 5138 N N . TYR E 5 89 ? -0.004 33.645 1.259 1.00 17.79 ? 90 TYR E N 1 +ATOM 5139 C CA . TYR E 5 89 ? 1.025 34.030 2.220 1.00 9.51 ? 90 TYR E CA 1 +ATOM 5140 C C . TYR E 5 89 ? 0.817 35.424 2.764 1.00 17.78 ? 90 TYR E C 1 +ATOM 5141 O O . TYR E 5 89 ? 0.513 36.344 2.007 1.00 17.00 ? 90 TYR E O 1 +ATOM 5142 C CB . TYR E 5 89 ? 2.408 33.962 1.573 1.00 13.87 ? 90 TYR E CB 1 +ATOM 5143 C CG . TYR E 5 89 ? 2.834 32.568 1.143 1.00 22.71 ? 90 TYR E CG 1 +ATOM 5144 C CD1 . TYR E 5 89 ? 2.101 31.849 0.198 1.00 26.04 ? 90 TYR E CD1 1 +ATOM 5145 C CD2 . TYR E 5 89 ? 3.949 31.954 1.706 1.00 26.10 ? 90 TYR E CD2 1 +ATOM 5146 C CE1 . TYR E 5 89 ? 2.464 30.551 -0.171 1.00 23.84 ? 90 TYR E CE1 1 +ATOM 5147 C CE2 . TYR E 5 89 ? 4.321 30.656 1.338 1.00 31.22 ? 90 TYR E CE2 1 +ATOM 5148 C CZ . TYR E 5 89 ? 3.566 29.959 0.399 1.00 30.23 ? 90 TYR E CZ 1 +ATOM 5149 O OH . TYR E 5 89 ? 3.894 28.668 0.040 1.00 26.61 ? 90 TYR E OH 1 +ATOM 5150 N N . PHE E 5 90 ? 0.969 35.569 4.084 1.00 21.95 ? 91 PHE E N 1 +ATOM 5151 C CA . PHE E 5 90 ? 0.800 36.855 4.758 1.00 17.05 ? 91 PHE E CA 1 +ATOM 5152 C C . PHE E 5 90 ? 2.037 37.253 5.527 1.00 19.25 ? 91 PHE E C 1 +ATOM 5153 O O . PHE E 5 90 ? 2.690 36.420 6.135 1.00 22.14 ? 91 PHE E O 1 +ATOM 5154 C CB . PHE E 5 90 ? -0.363 36.806 5.718 1.00 15.44 ? 91 PHE E CB 1 +ATOM 5155 C CG . PHE E 5 90 ? -1.668 36.619 5.052 1.00 17.98 ? 91 PHE E CG 1 +ATOM 5156 C CD1 . PHE E 5 90 ? -2.365 37.709 4.560 1.00 15.58 ? 91 PHE E CD1 1 +ATOM 5157 C CD2 . PHE E 5 90 ? -2.216 35.350 4.930 1.00 16.29 ? 91 PHE E CD2 1 +ATOM 5158 C CE1 . PHE E 5 90 ? -3.601 37.539 3.952 1.00 19.19 ? 91 PHE E CE1 1 +ATOM 5159 C CE2 . PHE E 5 90 ? -3.457 35.167 4.323 1.00 18.80 ? 91 PHE E CE2 1 +ATOM 5160 C CZ . PHE E 5 90 ? -4.150 36.263 3.834 1.00 17.80 ? 91 PHE E CZ 1 +ATOM 5161 N N . CYS E 5 91 ? 2.340 38.541 5.521 1.00 17.30 ? 92 CYS E N 1 +ATOM 5162 C CA . CYS E 5 91 ? 3.489 39.034 6.223 1.00 15.40 ? 92 CYS E CA 1 +ATOM 5163 C C . CYS E 5 91 ? 2.959 39.861 7.368 1.00 23.03 ? 92 CYS E C 1 +ATOM 5164 O O . CYS E 5 91 ? 1.932 40.529 7.211 1.00 24.32 ? 92 CYS E O 1 +ATOM 5165 C CB . CYS E 5 91 ? 4.301 39.910 5.312 1.00 15.57 ? 92 CYS E CB 1 +ATOM 5166 S SG . CYS E 5 91 ? 5.840 40.403 6.119 1.00 39.87 ? 92 CYS E SG 1 +ATOM 5167 N N . ALA E 5 92 ? 3.643 39.832 8.507 1.00 25.11 ? 93 ALA E N 1 +ATOM 5168 C CA . ALA E 5 92 ? 3.206 40.595 9.676 1.00 25.98 ? 93 ALA E CA 1 +ATOM 5169 C C . ALA E 5 92 ? 4.342 41.244 10.423 1.00 25.88 ? 93 ALA E C 1 +ATOM 5170 O O . ALA E 5 92 ? 5.477 40.790 10.366 1.00 30.81 ? 93 ALA E O 1 +ATOM 5171 C CB . ALA E 5 92 ? 2.431 39.715 10.620 1.00 25.70 ? 93 ALA E CB 1 +ATOM 5172 N N . SER E 5 93 ? 4.038 42.333 11.104 1.00 27.02 ? 94 SER E N 1 +ATOM 5173 C CA . SER E 5 93 ? 5.051 43.009 11.885 1.00 29.91 ? 94 SER E CA 1 +ATOM 5174 C C . SER E 5 93 ? 4.452 43.590 13.181 1.00 29.37 ? 94 SER E C 1 +ATOM 5175 O O . SER E 5 93 ? 3.224 43.723 13.319 1.00 19.73 ? 94 SER E O 1 +ATOM 5176 C CB . SER E 5 93 ? 5.785 44.075 11.040 1.00 26.32 ? 94 SER E CB 1 +ATOM 5177 O OG . SER E 5 93 ? 5.062 45.289 10.920 1.00 30.88 ? 94 SER E OG 1 +ATOM 5178 N N . SER E 5 94 ? 5.327 43.798 14.164 1.00 28.15 ? 95 SER E N 1 +ATOM 5179 C CA . SER E 5 94 ? 4.975 44.361 15.460 1.00 25.49 ? 95 SER E CA 1 +ATOM 5180 C C . SER E 5 94 ? 6.263 44.889 16.085 1.00 26.94 ? 95 SER E C 1 +ATOM 5181 O O . SER E 5 94 ? 7.363 44.658 15.560 1.00 27.28 ? 95 SER E O 1 +ATOM 5182 C CB . SER E 5 94 ? 4.269 43.329 16.372 1.00 25.59 ? 95 SER E CB 1 +ATOM 5183 O OG . SER E 5 94 ? 5.013 42.137 16.601 1.00 25.70 ? 95 SER E OG 1 +ATOM 5184 N N . TYR E 5 95 ? 6.126 45.633 17.177 1.00 29.07 ? 96 TYR E N 1 +ATOM 5185 C CA . TYR E 5 95 ? 7.268 46.219 17.877 1.00 27.64 ? 96 TYR E CA 1 +ATOM 5186 C C . TYR E 5 95 ? 7.070 45.911 19.354 1.00 25.84 ? 96 TYR E C 1 +ATOM 5187 O O . TYR E 5 95 ? 6.622 46.758 20.128 1.00 24.34 ? 96 TYR E O 1 +ATOM 5188 C CB . TYR E 5 95 ? 7.268 47.722 17.635 1.00 25.19 ? 96 TYR E CB 1 +ATOM 5189 C CG . TYR E 5 95 ? 8.380 48.496 18.281 1.00 23.44 ? 96 TYR E CG 1 +ATOM 5190 C CD1 . TYR E 5 95 ? 9.637 47.936 18.497 1.00 18.59 ? 96 TYR E CD1 1 +ATOM 5191 C CD2 . TYR E 5 95 ? 8.185 49.824 18.618 1.00 30.74 ? 96 TYR E CD2 1 +ATOM 5192 C CE1 . TYR E 5 95 ? 10.669 48.697 19.027 1.00 23.33 ? 96 TYR E CE1 1 +ATOM 5193 C CE2 . TYR E 5 95 ? 9.199 50.593 19.147 1.00 30.68 ? 96 TYR E CE2 1 +ATOM 5194 C CZ . TYR E 5 95 ? 10.439 50.036 19.349 1.00 30.95 ? 96 TYR E CZ 1 +ATOM 5195 O OH . TYR E 5 95 ? 11.433 50.859 19.852 1.00 37.20 ? 96 TYR E OH 1 +ATOM 5196 N N . PRO E 5 96 ? 7.411 44.680 19.756 1.00 25.23 ? 97 PRO E N 1 +ATOM 5197 C CA . PRO E 5 96 ? 7.297 44.162 21.124 1.00 27.81 ? 97 PRO E CA 1 +ATOM 5198 C C . PRO E 5 96 ? 7.955 45.007 22.244 1.00 26.91 ? 97 PRO E C 1 +ATOM 5199 O O . PRO E 5 96 ? 7.265 45.479 23.164 1.00 21.63 ? 97 PRO E O 1 +ATOM 5200 C CB . PRO E 5 96 ? 7.920 42.758 21.000 1.00 27.09 ? 97 PRO E CB 1 +ATOM 5201 C CG . PRO E 5 96 ? 7.633 42.380 19.566 1.00 19.74 ? 97 PRO E CG 1 +ATOM 5202 C CD . PRO E 5 96 ? 7.995 43.657 18.866 1.00 22.22 ? 97 PRO E CD 1 +ATOM 5203 N N . GLY E 5 97 ? 9.270 45.208 22.140 1.00 24.51 ? 98 GLY E N 1 +ATOM 5204 C CA . GLY E 5 97 ? 10.026 45.965 23.127 1.00 19.21 ? 98 GLY E CA 1 +ATOM 5205 C C . GLY E 5 97 ? 9.639 47.424 23.266 1.00 26.24 ? 98 GLY E C 1 +ATOM 5206 O O . GLY E 5 97 ? 10.326 48.197 23.932 1.00 27.78 ? 98 GLY E O 1 +ATOM 5207 N N . GLY E 5 98 ? 8.567 47.817 22.590 1.00 29.50 ? 99 GLY E N 1 +ATOM 5208 C CA . GLY E 5 98 ? 8.097 49.186 22.674 1.00 24.43 ? 99 GLY E CA 1 +ATOM 5209 C C . GLY E 5 98 ? 6.631 49.275 23.066 1.00 20.91 ? 99 GLY E C 1 +ATOM 5210 O O . GLY E 5 98 ? 6.092 50.367 23.124 1.00 27.04 ? 99 GLY E O 1 +ATOM 5211 N N . GLY E 5 99 ? 5.989 48.148 23.365 1.00 19.15 ? 100 GLY E N 1 +ATOM 5212 C CA . GLY E 5 99 ? 4.584 48.175 23.745 1.00 17.19 ? 100 GLY E CA 1 +ATOM 5213 C C . GLY E 5 99 ? 3.595 47.719 22.672 1.00 24.44 ? 100 GLY E C 1 +ATOM 5214 O O . GLY E 5 99 ? 2.405 47.558 22.950 1.00 22.04 ? 100 GLY E O 1 +ATOM 5215 N N . PHE E 5 100 ? 4.073 47.471 21.452 1.00 27.55 ? 101 PHE E N 1 +ATOM 5216 C CA . PHE E 5 100 ? 3.206 47.031 20.359 1.00 26.76 ? 101 PHE E CA 1 +ATOM 5217 C C . PHE E 5 100 ? 3.308 45.525 20.197 1.00 31.73 ? 101 PHE E C 1 +ATOM 5218 O O . PHE E 5 100 ? 4.134 45.043 19.419 1.00 32.30 ? 101 PHE E O 1 +ATOM 5219 C CB . PHE E 5 100 ? 3.630 47.713 19.067 1.00 29.88 ? 101 PHE E CB 1 +ATOM 5220 C CG . PHE E 5 100 ? 3.805 49.184 19.206 1.00 33.73 ? 101 PHE E CG 1 +ATOM 5221 C CD1 . PHE E 5 100 ? 5.015 49.705 19.629 1.00 38.33 ? 101 PHE E CD1 1 +ATOM 5222 C CD2 . PHE E 5 100 ? 2.737 50.050 18.986 1.00 40.71 ? 101 PHE E CD2 1 +ATOM 5223 C CE1 . PHE E 5 100 ? 5.171 51.078 19.839 1.00 45.89 ? 101 PHE E CE1 1 +ATOM 5224 C CE2 . PHE E 5 100 ? 2.873 51.423 19.192 1.00 44.62 ? 101 PHE E CE2 1 +ATOM 5225 C CZ . PHE E 5 100 ? 4.097 51.939 19.623 1.00 47.41 ? 101 PHE E CZ 1 +ATOM 5226 N N . TYR E 5 101 ? 2.501 44.793 20.966 1.00 33.77 ? 104 TYR E N 1 +ATOM 5227 C CA . TYR E 5 101 ? 2.507 43.328 20.933 1.00 40.37 ? 104 TYR E CA 1 +ATOM 5228 C C . TYR E 5 101 ? 1.531 42.879 19.853 1.00 45.61 ? 104 TYR E C 1 +ATOM 5229 O O . TYR E 5 101 ? 1.712 41.826 19.219 1.00 47.17 ? 104 TYR E O 1 +ATOM 5230 C CB . TYR E 5 101 ? 2.088 42.734 22.300 1.00 41.89 ? 104 TYR E CB 1 +ATOM 5231 C CG . TYR E 5 101 ? 2.566 43.509 23.522 1.00 39.51 ? 104 TYR E CG 1 +ATOM 5232 C CD1 . TYR E 5 101 ? 3.923 43.695 23.775 1.00 42.61 ? 104 TYR E CD1 1 +ATOM 5233 C CD2 . TYR E 5 101 ? 1.658 44.104 24.383 1.00 39.57 ? 104 TYR E CD2 1 +ATOM 5234 C CE1 . TYR E 5 101 ? 4.362 44.456 24.856 1.00 38.51 ? 104 TYR E CE1 1 +ATOM 5235 C CE2 . TYR E 5 101 ? 2.088 44.866 25.467 1.00 45.60 ? 104 TYR E CE2 1 +ATOM 5236 C CZ . TYR E 5 101 ? 3.440 45.040 25.692 1.00 40.66 ? 104 TYR E CZ 1 +ATOM 5237 O OH . TYR E 5 101 ? 3.860 45.799 26.756 1.00 47.98 ? 104 TYR E OH 1 +ATOM 5238 N N . GLU E 5 102 ? 0.494 43.696 19.666 1.00 50.21 ? 105 GLU E N 1 +ATOM 5239 C CA . GLU E 5 102 ? -0.563 43.472 18.672 1.00 51.01 ? 105 GLU E CA 1 +ATOM 5240 C C . GLU E 5 102 ? 0.058 43.462 17.259 1.00 46.06 ? 105 GLU E C 1 +ATOM 5241 O O . GLU E 5 102 ? 0.678 44.449 16.840 1.00 45.29 ? 105 GLU E O 1 +ATOM 5242 C CB . GLU E 5 102 ? -1.617 44.589 18.792 1.00 60.02 ? 105 GLU E CB 1 +ATOM 5243 C CG . GLU E 5 102 ? -2.644 44.448 19.935 1.00 65.65 ? 105 GLU E CG 1 +ATOM 5244 C CD . GLU E 5 102 ? -2.032 44.251 21.321 1.00 69.18 ? 105 GLU E CD 1 +ATOM 5245 O OE1 . GLU E 5 102 ? -1.438 45.202 21.872 1.00 72.28 ? 105 GLU E OE1 1 +ATOM 5246 O OE2 . GLU E 5 102 ? -2.171 43.140 21.872 1.00 70.27 ? 105 GLU E OE2 1 +ATOM 5247 N N . GLN E 5 103 ? -0.136 42.368 16.526 1.00 40.12 ? 106 GLN E N 1 +ATOM 5248 C CA . GLN E 5 103 ? 0.447 42.218 15.190 1.00 36.73 ? 106 GLN E CA 1 +ATOM 5249 C C . GLN E 5 103 ? -0.338 42.731 14.006 1.00 33.92 ? 106 GLN E C 1 +ATOM 5250 O O . GLN E 5 103 ? -1.552 42.567 13.929 1.00 32.57 ? 106 GLN E O 1 +ATOM 5251 C CB . GLN E 5 103 ? 0.830 40.780 14.945 1.00 31.83 ? 106 GLN E CB 1 +ATOM 5252 C CG . GLN E 5 103 ? 2.242 40.665 14.551 1.00 33.00 ? 106 GLN E CG 1 +ATOM 5253 C CD . GLN E 5 103 ? 2.782 39.291 14.758 1.00 39.43 ? 106 GLN E CD 1 +ATOM 5254 O OE1 . GLN E 5 103 ? 2.074 38.298 14.647 1.00 47.91 ? 106 GLN E OE1 1 +ATOM 5255 N NE2 . GLN E 5 103 ? 4.055 39.218 15.058 1.00 50.54 ? 106 GLN E NE2 1 +ATOM 5256 N N . TYR E 5 104 ? 0.396 43.303 13.058 1.00 33.87 ? 107 TYR E N 1 +ATOM 5257 C CA . TYR E 5 104 ? -0.172 43.896 11.849 1.00 38.58 ? 107 TYR E CA 1 +ATOM 5258 C C . TYR E 5 104 ? 0.114 43.069 10.611 1.00 34.68 ? 107 TYR E C 1 +ATOM 5259 O O . TYR E 5 104 ? 1.276 42.826 10.303 1.00 33.87 ? 107 TYR E O 1 +ATOM 5260 C CB . TYR E 5 104 ? 0.409 45.296 11.648 1.00 42.82 ? 107 TYR E CB 1 +ATOM 5261 C CG . TYR E 5 104 ? 0.056 46.279 12.741 1.00 51.88 ? 107 TYR E CG 1 +ATOM 5262 C CD1 . TYR E 5 104 ? -1.236 46.336 13.265 1.00 60.67 ? 107 TYR E CD1 1 +ATOM 5263 C CD2 . TYR E 5 104 ? 0.998 47.180 13.222 1.00 55.15 ? 107 TYR E CD2 1 +ATOM 5264 C CE1 . TYR E 5 104 ? -1.583 47.275 14.239 1.00 65.30 ? 107 TYR E CE1 1 +ATOM 5265 C CE2 . TYR E 5 104 ? 0.665 48.124 14.192 1.00 61.53 ? 107 TYR E CE2 1 +ATOM 5266 C CZ . TYR E 5 104 ? -0.626 48.170 14.697 1.00 65.56 ? 107 TYR E CZ 1 +ATOM 5267 O OH . TYR E 5 104 ? -0.969 49.120 15.641 1.00 70.34 ? 107 TYR E OH 1 +ATOM 5268 N N . PHE E 5 105 ? -0.933 42.686 9.880 1.00 34.17 ? 108 PHE E N 1 +ATOM 5269 C CA . PHE E 5 105 ? -0.781 41.877 8.657 1.00 35.42 ? 108 PHE E CA 1 +ATOM 5270 C C . PHE E 5 105 ? -0.817 42.585 7.279 1.00 31.14 ? 108 PHE E C 1 +ATOM 5271 O O . PHE E 5 105 ? -1.647 43.461 7.022 1.00 24.85 ? 108 PHE E O 1 +ATOM 5272 C CB . PHE E 5 105 ? -1.790 40.726 8.664 1.00 31.76 ? 108 PHE E CB 1 +ATOM 5273 C CG . PHE E 5 105 ? -1.480 39.664 9.676 1.00 34.30 ? 108 PHE E CG 1 +ATOM 5274 C CD1 . PHE E 5 105 ? -1.794 39.847 11.009 1.00 26.02 ? 108 PHE E CD1 1 +ATOM 5275 C CD2 . PHE E 5 105 ? -0.873 38.475 9.288 1.00 33.91 ? 108 PHE E CD2 1 +ATOM 5276 C CE1 . PHE E 5 105 ? -1.510 38.867 11.933 1.00 23.84 ? 108 PHE E CE1 1 +ATOM 5277 C CE2 . PHE E 5 105 ? -0.586 37.490 10.217 1.00 28.26 ? 108 PHE E CE2 1 +ATOM 5278 C CZ . PHE E 5 105 ? -0.908 37.689 11.539 1.00 24.28 ? 108 PHE E CZ 1 +ATOM 5279 N N . GLY E 5 106 ? 0.086 42.180 6.391 1.00 30.08 ? 109 GLY E N 1 +ATOM 5280 C CA . GLY E 5 106 ? 0.119 42.745 5.060 1.00 31.38 ? 109 GLY E CA 1 +ATOM 5281 C C . GLY E 5 106 ? -1.090 42.193 4.315 1.00 36.16 ? 109 GLY E C 1 +ATOM 5282 O O . GLY E 5 106 ? -1.755 41.268 4.810 1.00 34.87 ? 109 GLY E O 1 +ATOM 5283 N N . PRO E 5 107 ? -1.374 42.684 3.100 1.00 34.53 ? 110 PRO E N 1 +ATOM 5284 C CA . PRO E 5 107 ? -2.529 42.200 2.335 1.00 27.56 ? 110 PRO E CA 1 +ATOM 5285 C C . PRO E 5 107 ? -2.562 40.708 1.925 1.00 28.53 ? 110 PRO E C 1 +ATOM 5286 O O . PRO E 5 107 ? -3.644 40.146 1.748 1.00 30.96 ? 110 PRO E O 1 +ATOM 5287 C CB . PRO E 5 107 ? -2.575 43.161 1.153 1.00 27.48 ? 110 PRO E CB 1 +ATOM 5288 C CG . PRO E 5 107 ? -1.137 43.586 0.994 1.00 33.11 ? 110 PRO E CG 1 +ATOM 5289 C CD . PRO E 5 107 ? -0.686 43.786 2.397 1.00 29.67 ? 110 PRO E CD 1 +ATOM 5290 N N . GLY E 5 108 ? -1.398 40.076 1.785 1.00 28.47 ? 111 GLY E N 1 +ATOM 5291 C CA . GLY E 5 108 ? -1.345 38.664 1.415 1.00 25.50 ? 111 GLY E CA 1 +ATOM 5292 C C . GLY E 5 108 ? -1.055 38.428 -0.053 1.00 28.91 ? 111 GLY E C 1 +ATOM 5293 O O . GLY E 5 108 ? -1.446 39.232 -0.895 1.00 34.43 ? 111 GLY E O 1 +ATOM 5294 N N . THR E 5 109 ? -0.348 37.350 -0.370 1.00 26.01 ? 112 THR E N 1 +ATOM 5295 C CA . THR E 5 109 ? -0.033 37.034 -1.758 1.00 21.72 ? 112 THR E CA 1 +ATOM 5296 C C . THR E 5 109 ? -0.430 35.603 -2.092 1.00 22.62 ? 112 THR E C 1 +ATOM 5297 O O . THR E 5 109 ? 0.011 34.672 -1.405 1.00 20.80 ? 112 THR E O 1 +ATOM 5298 C CB . THR E 5 109 ? 1.495 37.242 -2.135 1.00 19.46 ? 112 THR E CB 1 +ATOM 5299 O OG1 . THR E 5 109 ? 2.189 35.993 -2.155 1.00 25.07 ? 112 THR E OG1 1 +ATOM 5300 C CG2 . THR E 5 109 ? 2.203 38.154 -1.187 1.00 17.26 ? 112 THR E CG2 1 +ATOM 5301 N N . ARG E 5 110 ? -1.298 35.431 -3.100 1.00 21.57 ? 113 ARG E N 1 +ATOM 5302 C CA . ARG E 5 110 ? -1.730 34.094 -3.535 1.00 22.34 ? 113 ARG E CA 1 +ATOM 5303 C C . ARG E 5 110 ? -0.679 33.479 -4.426 1.00 20.33 ? 113 ARG E C 1 +ATOM 5304 O O . ARG E 5 110 ? -0.171 34.117 -5.350 1.00 19.49 ? 113 ARG E O 1 +ATOM 5305 C CB . ARG E 5 110 ? -3.031 34.114 -4.323 1.00 24.73 ? 113 ARG E CB 1 +ATOM 5306 C CG . ARG E 5 110 ? -4.288 34.093 -3.509 1.00 35.90 ? 113 ARG E CG 1 +ATOM 5307 C CD . ARG E 5 110 ? -5.469 33.713 -4.398 1.00 44.06 ? 113 ARG E CD 1 +ATOM 5308 N NE . ARG E 5 110 ? -5.725 32.274 -4.374 1.00 55.68 ? 113 ARG E NE 1 +ATOM 5309 C CZ . ARG E 5 110 ? -6.631 31.704 -3.588 1.00 62.73 ? 113 ARG E CZ 1 +ATOM 5310 N NH1 . ARG E 5 110 ? -7.363 32.449 -2.769 1.00 69.03 ? 113 ARG E NH1 1 +ATOM 5311 N NH2 . ARG E 5 110 ? -6.793 30.388 -3.595 1.00 69.66 ? 113 ARG E NH2 1 +ATOM 5312 N N . LEU E 5 111 ? -0.394 32.215 -4.188 1.00 20.68 ? 114 LEU E N 1 +ATOM 5313 C CA . LEU E 5 111 ? 0.611 31.535 -4.960 1.00 24.13 ? 114 LEU E CA 1 +ATOM 5314 C C . LEU E 5 111 ? 0.081 30.163 -5.311 1.00 29.59 ? 114 LEU E C 1 +ATOM 5315 O O . LEU E 5 111 ? -0.568 29.515 -4.487 1.00 36.14 ? 114 LEU E O 1 +ATOM 5316 C CB . LEU E 5 111 ? 1.880 31.422 -4.138 1.00 12.24 ? 114 LEU E CB 1 +ATOM 5317 C CG . LEU E 5 111 ? 3.101 30.925 -4.880 1.00 17.46 ? 114 LEU E CG 1 +ATOM 5318 C CD1 . LEU E 5 111 ? 4.233 31.879 -4.607 1.00 30.16 ? 114 LEU E CD1 1 +ATOM 5319 C CD2 . LEU E 5 111 ? 3.455 29.518 -4.452 1.00 16.78 ? 114 LEU E CD2 1 +ATOM 5320 N N . THR E 5 112 ? 0.291 29.768 -6.565 1.00 29.88 ? 115 THR E N 1 +ATOM 5321 C CA . THR E 5 112 ? -0.138 28.465 -7.063 1.00 26.71 ? 115 THR E CA 1 +ATOM 5322 C C . THR E 5 112 ? 1.021 27.842 -7.835 1.00 26.55 ? 115 THR E C 1 +ATOM 5323 O O . THR E 5 112 ? 1.727 28.523 -8.576 1.00 27.95 ? 115 THR E O 1 +ATOM 5324 C CB . THR E 5 112 ? -1.366 28.566 -7.976 1.00 26.88 ? 115 THR E CB 1 +ATOM 5325 O OG1 . THR E 5 112 ? -2.457 29.183 -7.276 1.00 29.60 ? 115 THR E OG1 1 +ATOM 5326 C CG2 . THR E 5 112 ? -1.798 27.196 -8.404 1.00 33.52 ? 115 THR E CG2 1 +ATOM 5327 N N . VAL E 5 113 ? 1.282 26.569 -7.587 1.00 28.01 ? 116 VAL E N 1 +ATOM 5328 C CA . VAL E 5 113 ? 2.367 25.899 -8.281 1.00 29.27 ? 116 VAL E CA 1 +ATOM 5329 C C . VAL E 5 113 ? 1.850 24.653 -9.009 1.00 33.13 ? 116 VAL E C 1 +ATOM 5330 O O . VAL E 5 113 ? 1.083 23.865 -8.439 1.00 29.36 ? 116 VAL E O 1 +ATOM 5331 C CB . VAL E 5 113 ? 3.550 25.621 -7.310 1.00 26.35 ? 116 VAL E CB 1 +ATOM 5332 C CG1 . VAL E 5 113 ? 3.033 25.170 -5.998 1.00 31.28 ? 116 VAL E CG1 1 +ATOM 5333 C CG2 . VAL E 5 113 ? 4.518 24.603 -7.874 1.00 27.07 ? 116 VAL E CG2 1 +ATOM 5334 N N . THR E 5 114 ? 2.151 24.580 -10.312 1.00 37.90 ? 117 THR E N 1 +ATOM 5335 C CA . THR E 5 114 ? 1.757 23.457 -11.171 1.00 36.10 ? 117 THR E CA 1 +ATOM 5336 C C . THR E 5 114 ? 2.951 22.679 -11.680 1.00 41.16 ? 117 THR E C 1 +ATOM 5337 O O . THR E 5 114 ? 4.080 23.188 -11.731 1.00 39.95 ? 117 THR E O 1 +ATOM 5338 C CB . THR E 5 114 ? 1.004 23.900 -12.431 1.00 30.56 ? 117 THR E CB 1 +ATOM 5339 O OG1 . THR E 5 114 ? 1.041 25.323 -12.548 1.00 33.35 ? 117 THR E OG1 1 +ATOM 5340 C CG2 . THR E 5 114 ? -0.411 23.390 -12.409 1.00 26.58 ? 117 THR E CG2 1 +ATOM 5341 N N . GLU E 5 115 ? 2.670 21.450 -12.106 1.00 44.58 ? 118 GLU E N 1 +ATOM 5342 C CA . GLU E 5 115 ? 3.686 20.565 -12.645 1.00 45.33 ? 118 GLU E CA 1 +ATOM 5343 C C . GLU E 5 115 ? 4.055 21.031 -14.042 1.00 42.76 ? 118 GLU E C 1 +ATOM 5344 O O . GLU E 5 115 ? 5.231 21.051 -14.388 1.00 42.39 ? 118 GLU E O 1 +ATOM 5345 C CB . GLU E 5 115 ? 3.171 19.124 -12.683 1.00 52.30 ? 118 GLU E CB 1 +ATOM 5346 C CG . GLU E 5 115 ? 4.052 18.136 -11.912 1.00 60.14 ? 118 GLU E CG 1 +ATOM 5347 C CD . GLU E 5 115 ? 4.156 18.455 -10.420 1.00 66.63 ? 118 GLU E CD 1 +ATOM 5348 O OE1 . GLU E 5 115 ? 3.118 18.783 -9.796 1.00 71.20 ? 118 GLU E OE1 1 +ATOM 5349 O OE2 . GLU E 5 115 ? 5.278 18.369 -9.872 1.00 67.29 ? 118 GLU E OE2 1 +ATOM 5350 N N . ASP E 5 116 ? 3.042 21.440 -14.816 1.00 44.78 ? 119 ASP E N 1 +ATOM 5351 C CA . ASP E 5 116 ? 3.211 21.920 -16.201 1.00 40.98 ? 119 ASP E CA 1 +ATOM 5352 C C . ASP E 5 116 ? 2.464 23.239 -16.501 1.00 38.30 ? 119 ASP E C 1 +ATOM 5353 O O . ASP E 5 116 ? 1.230 23.315 -16.373 1.00 36.73 ? 119 ASP E O 1 +ATOM 5354 C CB . ASP E 5 116 ? 2.762 20.826 -17.200 1.00 37.84 ? 119 ASP E CB 1 +ATOM 5355 N N . LEU E 5 117 ? 3.213 24.249 -16.954 1.00 34.46 ? 120 LEU E N 1 +ATOM 5356 C CA . LEU E 5 117 ? 2.670 25.573 -17.303 1.00 30.64 ? 120 LEU E CA 1 +ATOM 5357 C C . LEU E 5 117 ? 1.621 25.593 -18.415 1.00 32.66 ? 120 LEU E C 1 +ATOM 5358 O O . LEU E 5 117 ? 0.989 26.619 -18.654 1.00 31.21 ? 120 LEU E O 1 +ATOM 5359 C CB . LEU E 5 117 ? 3.794 26.537 -17.671 1.00 23.00 ? 120 LEU E CB 1 +ATOM 5360 C CG . LEU E 5 117 ? 4.540 27.039 -16.438 1.00 36.66 ? 120 LEU E CG 1 +ATOM 5361 C CD1 . LEU E 5 117 ? 5.729 27.898 -16.830 1.00 31.43 ? 120 LEU E CD1 1 +ATOM 5362 C CD2 . LEU E 5 117 ? 3.566 27.821 -15.554 1.00 35.44 ? 120 LEU E CD2 1 +ATOM 5363 N N . LYS E 5 118 ? 1.433 24.456 -19.078 1.00 32.89 ? 121 LYS E N 1 +ATOM 5364 C CA . LYS E 5 118 ? 0.460 24.333 -20.145 1.00 29.12 ? 121 LYS E CA 1 +ATOM 5365 C C . LYS E 5 118 ? -0.917 24.280 -19.491 1.00 34.27 ? 121 LYS E C 1 +ATOM 5366 O O . LYS E 5 118 ? -1.945 24.282 -20.177 1.00 31.00 ? 121 LYS E O 1 +ATOM 5367 C CB . LYS E 5 118 ? 0.728 23.060 -20.934 1.00 33.76 ? 121 LYS E CB 1 +ATOM 5368 N N . ASN E 5 119 ? -0.913 24.220 -18.153 1.00 37.38 ? 122 ASN E N 1 +ATOM 5369 C CA . ASN E 5 119 ? -2.125 24.170 -17.324 1.00 34.78 ? 122 ASN E CA 1 +ATOM 5370 C C . ASN E 5 119 ? -2.758 25.530 -17.109 1.00 31.34 ? 122 ASN E C 1 +ATOM 5371 O O . ASN E 5 119 ? -3.948 25.633 -16.789 1.00 34.40 ? 122 ASN E O 1 +ATOM 5372 C CB . ASN E 5 119 ? -1.806 23.592 -15.952 1.00 36.23 ? 122 ASN E CB 1 +ATOM 5373 C CG . ASN E 5 119 ? -1.629 22.111 -15.981 1.00 34.78 ? 122 ASN E CG 1 +ATOM 5374 O OD1 . ASN E 5 119 ? -2.423 21.399 -16.585 1.00 37.94 ? 122 ASN E OD1 1 +ATOM 5375 N ND2 . ASN E 5 119 ? -0.604 21.625 -15.309 1.00 36.21 ? 122 ASN E ND2 1 +ATOM 5376 N N . VAL E 5 120 ? -1.937 26.565 -17.207 1.00 25.31 ? 123 VAL E N 1 +ATOM 5377 C CA . VAL E 5 120 ? -2.414 27.918 -17.021 1.00 26.14 ? 123 VAL E CA 1 +ATOM 5378 C C . VAL E 5 120 ? -3.338 28.235 -18.191 1.00 28.02 ? 123 VAL E C 1 +ATOM 5379 O O . VAL E 5 120 ? -2.977 28.017 -19.333 1.00 25.68 ? 123 VAL E O 1 +ATOM 5380 C CB . VAL E 5 120 ? -1.236 28.911 -16.972 1.00 26.63 ? 123 VAL E CB 1 +ATOM 5381 C CG1 . VAL E 5 120 ? -1.732 30.293 -16.583 1.00 26.27 ? 123 VAL E CG1 1 +ATOM 5382 C CG2 . VAL E 5 120 ? -0.170 28.419 -15.981 1.00 26.30 ? 123 VAL E CG2 1 +ATOM 5383 N N . PHE E 5 121 ? -4.531 28.736 -17.889 1.00 28.05 ? 124 PHE E N 1 +ATOM 5384 C CA . PHE E 5 121 ? -5.530 29.074 -18.878 1.00 25.42 ? 124 PHE E CA 1 +ATOM 5385 C C . PHE E 5 121 ? -6.224 30.366 -18.505 1.00 27.56 ? 124 PHE E C 1 +ATOM 5386 O O . PHE E 5 121 ? -6.569 30.558 -17.352 1.00 33.63 ? 124 PHE E O 1 +ATOM 5387 C CB . PHE E 5 121 ? -6.620 28.009 -18.881 1.00 33.53 ? 124 PHE E CB 1 +ATOM 5388 C CG . PHE E 5 121 ? -6.296 26.789 -19.679 1.00 48.29 ? 124 PHE E CG 1 +ATOM 5389 C CD1 . PHE E 5 121 ? -6.349 26.821 -21.068 1.00 52.55 ? 124 PHE E CD1 1 +ATOM 5390 C CD2 . PHE E 5 121 ? -6.006 25.587 -19.051 1.00 53.54 ? 124 PHE E CD2 1 +ATOM 5391 C CE1 . PHE E 5 121 ? -6.118 25.673 -21.819 1.00 53.18 ? 124 PHE E CE1 1 +ATOM 5392 C CE2 . PHE E 5 121 ? -5.771 24.426 -19.800 1.00 53.28 ? 124 PHE E CE2 1 +ATOM 5393 C CZ . PHE E 5 121 ? -5.830 24.472 -21.179 1.00 52.82 ? 124 PHE E CZ 1 +ATOM 5394 N N . PRO E 5 122 ? -6.371 31.300 -19.438 1.00 30.97 ? 125 PRO E N 1 +ATOM 5395 C CA . PRO E 5 122 ? -7.057 32.559 -19.124 1.00 29.24 ? 125 PRO E CA 1 +ATOM 5396 C C . PRO E 5 122 ? -8.555 32.242 -19.013 1.00 25.15 ? 125 PRO E C 1 +ATOM 5397 O O . PRO E 5 122 ? -9.007 31.169 -19.426 1.00 29.02 ? 125 PRO E O 1 +ATOM 5398 C CB . PRO E 5 122 ? -6.782 33.420 -20.350 1.00 27.13 ? 125 PRO E CB 1 +ATOM 5399 C CG . PRO E 5 122 ? -5.433 32.961 -20.766 1.00 34.17 ? 125 PRO E CG 1 +ATOM 5400 C CD . PRO E 5 122 ? -5.564 31.462 -20.669 1.00 35.88 ? 125 PRO E CD 1 +ATOM 5401 N N . PRO E 5 123 ? -9.338 33.172 -18.450 1.00 23.09 ? 126 PRO E N 1 +ATOM 5402 C CA . PRO E 5 123 ? -10.787 32.953 -18.313 1.00 24.17 ? 126 PRO E CA 1 +ATOM 5403 C C . PRO E 5 123 ? -11.621 33.244 -19.568 1.00 33.44 ? 126 PRO E C 1 +ATOM 5404 O O . PRO E 5 123 ? -11.193 33.971 -20.475 1.00 35.70 ? 126 PRO E O 1 +ATOM 5405 C CB . PRO E 5 123 ? -11.149 33.931 -17.201 1.00 15.34 ? 126 PRO E CB 1 +ATOM 5406 C CG . PRO E 5 123 ? -10.222 35.089 -17.487 1.00 13.55 ? 126 PRO E CG 1 +ATOM 5407 C CD . PRO E 5 123 ? -8.912 34.402 -17.766 1.00 10.45 ? 126 PRO E CD 1 +ATOM 5408 N N . GLU E 5 124 ? -12.837 32.704 -19.600 1.00 37.64 ? 127 GLU E N 1 +ATOM 5409 C CA . GLU E 5 124 ? -13.764 32.952 -20.704 1.00 40.86 ? 127 GLU E CA 1 +ATOM 5410 C C . GLU E 5 124 ? -15.019 33.553 -20.076 1.00 39.21 ? 127 GLU E C 1 +ATOM 5411 O O . GLU E 5 124 ? -15.936 32.837 -19.669 1.00 42.34 ? 127 GLU E O 1 +ATOM 5412 C CB . GLU E 5 124 ? -14.092 31.661 -21.473 1.00 45.44 ? 127 GLU E CB 1 +ATOM 5413 C CG . GLU E 5 124 ? -13.164 31.410 -22.661 1.00 45.76 ? 127 GLU E CG 1 +ATOM 5414 C CD . GLU E 5 124 ? -13.462 30.129 -23.404 1.00 45.70 ? 127 GLU E CD 1 +ATOM 5415 O OE1 . GLU E 5 124 ? -14.652 29.791 -23.587 1.00 40.67 ? 127 GLU E OE1 1 +ATOM 5416 O OE2 . GLU E 5 124 ? -12.488 29.467 -23.814 1.00 50.69 ? 127 GLU E OE2 1 +ATOM 5417 N N . VAL E 5 125 ? -15.053 34.874 -19.989 1.00 35.47 ? 128 VAL E N 1 +ATOM 5418 C CA . VAL E 5 125 ? -16.189 35.522 -19.358 1.00 34.88 ? 128 VAL E CA 1 +ATOM 5419 C C . VAL E 5 125 ? -17.356 35.772 -20.300 1.00 33.79 ? 128 VAL E C 1 +ATOM 5420 O O . VAL E 5 125 ? -17.178 35.863 -21.508 1.00 31.57 ? 128 VAL E O 1 +ATOM 5421 C CB . VAL E 5 125 ? -15.755 36.789 -18.546 1.00 34.96 ? 128 VAL E CB 1 +ATOM 5422 C CG1 . VAL E 5 125 ? -14.232 36.982 -18.624 1.00 28.32 ? 128 VAL E CG1 1 +ATOM 5423 C CG2 . VAL E 5 125 ? -16.507 38.025 -18.987 1.00 29.32 ? 128 VAL E CG2 1 +ATOM 5424 N N . ALA E 5 126 ? -18.561 35.804 -19.740 1.00 33.39 ? 129 ALA E N 1 +ATOM 5425 C CA . ALA E 5 126 ? -19.770 36.024 -20.521 1.00 35.24 ? 129 ALA E CA 1 +ATOM 5426 C C . ALA E 5 126 ? -20.913 36.452 -19.604 1.00 34.43 ? 129 ALA E C 1 +ATOM 5427 O O . ALA E 5 126 ? -21.135 35.824 -18.575 1.00 42.44 ? 129 ALA E O 1 +ATOM 5428 C CB . ALA E 5 126 ? -20.140 34.729 -21.252 1.00 38.61 ? 129 ALA E CB 1 +ATOM 5429 N N . VAL E 5 127 ? -21.625 37.522 -19.953 1.00 31.64 ? 130 VAL E N 1 +ATOM 5430 C CA . VAL E 5 127 ? -22.749 37.994 -19.128 1.00 28.21 ? 130 VAL E CA 1 +ATOM 5431 C C . VAL E 5 127 ? -24.045 37.425 -19.654 1.00 23.60 ? 130 VAL E C 1 +ATOM 5432 O O . VAL E 5 127 ? -24.172 37.161 -20.842 1.00 26.25 ? 130 VAL E O 1 +ATOM 5433 C CB . VAL E 5 127 ? -22.893 39.550 -19.090 1.00 33.22 ? 130 VAL E CB 1 +ATOM 5434 C CG1 . VAL E 5 127 ? -21.591 40.202 -18.682 1.00 36.65 ? 130 VAL E CG1 1 +ATOM 5435 C CG2 . VAL E 5 127 ? -23.363 40.091 -20.423 1.00 35.91 ? 130 VAL E CG2 1 +ATOM 5436 N N . PHE E 5 128 ? -25.004 37.225 -18.765 1.00 21.27 ? 131 PHE E N 1 +ATOM 5437 C CA . PHE E 5 128 ? -26.298 36.689 -19.144 1.00 20.91 ? 131 PHE E CA 1 +ATOM 5438 C C . PHE E 5 128 ? -27.299 37.755 -18.781 1.00 25.25 ? 131 PHE E C 1 +ATOM 5439 O O . PHE E 5 128 ? -27.316 38.231 -17.660 1.00 31.14 ? 131 PHE E O 1 +ATOM 5440 C CB . PHE E 5 128 ? -26.544 35.380 -18.409 1.00 14.38 ? 131 PHE E CB 1 +ATOM 5441 C CG . PHE E 5 128 ? -25.483 34.345 -18.684 1.00 13.95 ? 131 PHE E CG 1 +ATOM 5442 C CD1 . PHE E 5 128 ? -24.159 34.565 -18.317 1.00 11.35 ? 131 PHE E CD1 1 +ATOM 5443 C CD2 . PHE E 5 128 ? -25.795 33.165 -19.328 1.00 14.56 ? 131 PHE E CD2 1 +ATOM 5444 C CE1 . PHE E 5 128 ? -23.180 33.640 -18.579 1.00 6.70 ? 131 PHE E CE1 1 +ATOM 5445 C CE2 . PHE E 5 128 ? -24.811 32.236 -19.594 1.00 11.99 ? 131 PHE E CE2 1 +ATOM 5446 C CZ . PHE E 5 128 ? -23.503 32.479 -19.217 1.00 10.63 ? 131 PHE E CZ 1 +ATOM 5447 N N . GLU E 5 129 ? -28.096 38.178 -19.748 1.00 31.36 ? 132 GLU E N 1 +ATOM 5448 C CA . GLU E 5 129 ? -29.054 39.254 -19.513 1.00 35.55 ? 132 GLU E CA 1 +ATOM 5449 C C . GLU E 5 129 ? -30.143 38.926 -18.519 1.00 32.70 ? 132 GLU E C 1 +ATOM 5450 O O . GLU E 5 129 ? -30.457 37.762 -18.291 1.00 39.40 ? 132 GLU E O 1 +ATOM 5451 C CB . GLU E 5 129 ? -29.733 39.660 -20.820 1.00 46.17 ? 132 GLU E CB 1 +ATOM 5452 C CG . GLU E 5 129 ? -28.833 40.169 -21.919 1.00 54.73 ? 132 GLU E CG 1 +ATOM 5453 C CD . GLU E 5 129 ? -29.613 40.451 -23.189 1.00 64.10 ? 132 GLU E CD 1 +ATOM 5454 O OE1 . GLU E 5 129 ? -30.745 39.924 -23.347 1.00 67.27 ? 132 GLU E OE1 1 +ATOM 5455 O OE2 . GLU E 5 129 ? -29.092 41.213 -24.030 1.00 74.38 ? 132 GLU E OE2 1 +ATOM 5456 N N . PRO E 5 130 ? -30.767 39.962 -17.947 1.00 29.49 ? 133 PRO E N 1 +ATOM 5457 C CA . PRO E 5 130 ? -31.856 39.856 -16.972 1.00 33.03 ? 133 PRO E CA 1 +ATOM 5458 C C . PRO E 5 130 ? -33.010 39.003 -17.501 1.00 39.33 ? 133 PRO E C 1 +ATOM 5459 O O . PRO E 5 130 ? -33.154 38.812 -18.712 1.00 44.30 ? 133 PRO E O 1 +ATOM 5460 C CB . PRO E 5 130 ? -32.312 41.302 -16.831 1.00 23.94 ? 133 PRO E CB 1 +ATOM 5461 C CG . PRO E 5 130 ? -31.051 42.054 -16.974 1.00 22.97 ? 133 PRO E CG 1 +ATOM 5462 C CD . PRO E 5 130 ? -30.311 41.359 -18.075 1.00 22.60 ? 133 PRO E CD 1 +ATOM 5463 N N . SER E 5 131 ? -33.819 38.482 -16.587 1.00 45.90 ? 134 SER E N 1 +ATOM 5464 C CA . SER E 5 131 ? -34.979 37.678 -16.957 1.00 47.59 ? 134 SER E CA 1 +ATOM 5465 C C . SER E 5 131 ? -36.124 38.625 -17.314 1.00 45.37 ? 134 SER E C 1 +ATOM 5466 O O . SER E 5 131 ? -36.321 39.651 -16.655 1.00 45.54 ? 134 SER E O 1 +ATOM 5467 C CB . SER E 5 131 ? -35.390 36.774 -15.783 1.00 47.48 ? 134 SER E CB 1 +ATOM 5468 O OG . SER E 5 131 ? -36.687 36.222 -15.966 1.00 54.34 ? 134 SER E OG 1 +ATOM 5469 N N . GLU E 5 132 ? -36.881 38.289 -18.350 1.00 44.06 ? 135 GLU E N 1 +ATOM 5470 C CA . GLU E 5 132 ? -38.007 39.126 -18.740 1.00 47.30 ? 135 GLU E CA 1 +ATOM 5471 C C . GLU E 5 132 ? -39.034 38.998 -17.621 1.00 48.18 ? 135 GLU E C 1 +ATOM 5472 O O . GLU E 5 132 ? -39.742 39.953 -17.279 1.00 48.69 ? 135 GLU E O 1 +ATOM 5473 C CB . GLU E 5 132 ? -38.596 38.647 -20.059 1.00 48.18 ? 135 GLU E CB 1 +ATOM 5474 N N . ALA E 5 133 ? -39.067 37.808 -17.026 1.00 44.93 ? 136 ALA E N 1 +ATOM 5475 C CA . ALA E 5 133 ? -39.979 37.505 -15.937 1.00 41.42 ? 136 ALA E CA 1 +ATOM 5476 C C . ALA E 5 133 ? -39.599 38.336 -14.706 1.00 42.04 ? 136 ALA E C 1 +ATOM 5477 O O . ALA E 5 133 ? -40.452 38.988 -14.108 1.00 41.28 ? 136 ALA E O 1 +ATOM 5478 C CB . ALA E 5 133 ? -39.933 36.017 -15.625 1.00 37.95 ? 136 ALA E CB 1 +ATOM 5479 N N . GLU E 5 134 ? -38.310 38.357 -14.375 1.00 38.86 ? 137 GLU E N 1 +ATOM 5480 C CA . GLU E 5 134 ? -37.820 39.104 -13.228 1.00 38.19 ? 137 GLU E CA 1 +ATOM 5481 C C . GLU E 5 134 ? -38.181 40.575 -13.333 1.00 44.47 ? 137 GLU E C 1 +ATOM 5482 O O . GLU E 5 134 ? -38.752 41.147 -12.405 1.00 47.84 ? 137 GLU E O 1 +ATOM 5483 C CB . GLU E 5 134 ? -36.309 38.967 -13.113 1.00 38.25 ? 137 GLU E CB 1 +ATOM 5484 C CG . GLU E 5 134 ? -35.709 39.681 -11.913 1.00 36.50 ? 137 GLU E CG 1 +ATOM 5485 C CD . GLU E 5 134 ? -34.231 39.986 -12.082 1.00 42.12 ? 137 GLU E CD 1 +ATOM 5486 O OE1 . GLU E 5 134 ? -33.573 39.465 -13.014 1.00 49.33 ? 137 GLU E OE1 1 +ATOM 5487 O OE2 . GLU E 5 134 ? -33.724 40.776 -11.279 1.00 44.95 ? 137 GLU E OE2 1 +ATOM 5488 N N . ILE E 5 135 ? -37.836 41.184 -14.465 1.00 48.32 ? 138 ILE E N 1 +ATOM 5489 C CA . ILE E 5 135 ? -38.121 42.595 -14.700 1.00 48.80 ? 138 ILE E CA 1 +ATOM 5490 C C . ILE E 5 135 ? -39.609 42.858 -14.454 1.00 47.77 ? 138 ILE E C 1 +ATOM 5491 O O . ILE E 5 135 ? -39.991 43.749 -13.695 1.00 45.10 ? 138 ILE E O 1 +ATOM 5492 C CB . ILE E 5 135 ? -37.727 42.981 -16.140 1.00 47.34 ? 138 ILE E CB 1 +ATOM 5493 N N . SER E 5 136 ? -40.442 42.028 -15.057 1.00 47.71 ? 139 SER E N 1 +ATOM 5494 C CA . SER E 5 136 ? -41.874 42.159 -14.916 1.00 53.62 ? 139 SER E CA 1 +ATOM 5495 C C . SER E 5 136 ? -42.313 41.995 -13.467 1.00 55.08 ? 139 SER E C 1 +ATOM 5496 O O . SER E 5 136 ? -42.934 42.882 -12.873 1.00 58.91 ? 139 SER E O 1 +ATOM 5497 C CB . SER E 5 136 ? -42.553 41.097 -15.787 1.00 57.24 ? 139 SER E CB 1 +ATOM 5498 O OG . SER E 5 136 ? -43.937 41.004 -15.506 1.00 68.90 ? 139 SER E OG 1 +ATOM 5499 N N . HIS E 5 137 ? -41.914 40.866 -12.899 1.00 54.30 ? 140 HIS E N 1 +ATOM 5500 C CA . HIS E 5 137 ? -42.260 40.457 -11.545 1.00 50.32 ? 140 HIS E CA 1 +ATOM 5501 C C . HIS E 5 137 ? -41.756 41.280 -10.364 1.00 48.48 ? 140 HIS E C 1 +ATOM 5502 O O . HIS E 5 137 ? -42.473 41.436 -9.371 1.00 52.35 ? 140 HIS E O 1 +ATOM 5503 C CB . HIS E 5 137 ? -41.851 38.988 -11.353 1.00 49.58 ? 140 HIS E CB 1 +ATOM 5504 C CG . HIS E 5 137 ? -42.145 38.444 -9.989 1.00 51.88 ? 140 HIS E CG 1 +ATOM 5505 N ND1 . HIS E 5 137 ? -43.428 38.262 -9.520 1.00 54.49 ? 140 HIS E ND1 1 +ATOM 5506 C CD2 . HIS E 5 137 ? -41.321 38.044 -8.996 1.00 55.64 ? 140 HIS E CD2 1 +ATOM 5507 C CE1 . HIS E 5 137 ? -43.381 37.776 -8.293 1.00 57.15 ? 140 HIS E CE1 1 +ATOM 5508 N NE2 . HIS E 5 137 ? -42.114 37.634 -7.949 1.00 56.42 ? 140 HIS E NE2 1 +ATOM 5509 N N . THR E 5 138 ? -40.531 41.779 -10.444 1.00 43.21 ? 141 THR E N 1 +ATOM 5510 C CA . THR E 5 138 ? -39.964 42.513 -9.327 1.00 38.28 ? 141 THR E CA 1 +ATOM 5511 C C . THR E 5 138 ? -39.611 43.969 -9.593 1.00 39.28 ? 141 THR E C 1 +ATOM 5512 O O . THR E 5 138 ? -39.419 44.735 -8.646 1.00 41.99 ? 141 THR E O 1 +ATOM 5513 C CB . THR E 5 138 ? -38.697 41.803 -8.827 1.00 35.55 ? 141 THR E CB 1 +ATOM 5514 O OG1 . THR E 5 138 ? -37.717 41.817 -9.867 1.00 38.38 ? 141 THR E OG1 1 +ATOM 5515 C CG2 . THR E 5 138 ? -38.995 40.351 -8.485 1.00 31.68 ? 141 THR E CG2 1 +ATOM 5516 N N . GLN E 5 139 ? -39.484 44.337 -10.868 1.00 38.20 ? 142 GLN E N 1 +ATOM 5517 C CA . GLN E 5 139 ? -39.112 45.698 -11.285 1.00 38.06 ? 142 GLN E CA 1 +ATOM 5518 C C . GLN E 5 139 ? -37.613 45.973 -11.148 1.00 35.67 ? 142 GLN E C 1 +ATOM 5519 O O . GLN E 5 139 ? -37.183 47.132 -11.186 1.00 35.59 ? 142 GLN E O 1 +ATOM 5520 C CB . GLN E 5 139 ? -39.918 46.791 -10.552 1.00 42.72 ? 142 GLN E CB 1 +ATOM 5521 C CG . GLN E 5 139 ? -41.319 47.067 -11.129 1.00 52.90 ? 142 GLN E CG 1 +ATOM 5522 C CD . GLN E 5 139 ? -42.402 46.172 -10.538 1.00 62.21 ? 142 GLN E CD 1 +ATOM 5523 O OE1 . GLN E 5 139 ? -42.750 46.294 -9.357 1.00 65.80 ? 142 GLN E OE1 1 +ATOM 5524 N NE2 . GLN E 5 139 ? -42.959 45.285 -11.361 1.00 64.55 ? 142 GLN E NE2 1 +ATOM 5525 N N . LYS E 5 140 ? -36.829 44.906 -10.988 1.00 34.56 ? 143 LYS E N 1 +ATOM 5526 C CA . LYS E 5 140 ? -35.371 44.979 -10.868 1.00 31.17 ? 143 LYS E CA 1 +ATOM 5527 C C . LYS E 5 140 ? -34.823 44.053 -11.952 1.00 33.21 ? 143 LYS E C 1 +ATOM 5528 O O . LYS E 5 140 ? -35.542 43.172 -12.438 1.00 37.17 ? 143 LYS E O 1 +ATOM 5529 C CB . LYS E 5 140 ? -34.906 44.514 -9.485 1.00 30.18 ? 143 LYS E CB 1 +ATOM 5530 C CG . LYS E 5 140 ? -35.471 45.334 -8.352 1.00 30.71 ? 143 LYS E CG 1 +ATOM 5531 C CD . LYS E 5 140 ? -35.045 44.831 -6.999 1.00 28.35 ? 143 LYS E CD 1 +ATOM 5532 C CE . LYS E 5 140 ? -36.088 45.249 -5.974 1.00 30.80 ? 143 LYS E CE 1 +ATOM 5533 N NZ . LYS E 5 140 ? -37.364 44.471 -6.184 1.00 41.37 ? 143 LYS E NZ 1 +ATOM 5534 N N . ALA E 5 141 ? -33.574 44.266 -12.358 1.00 33.23 ? 144 ALA E N 1 +ATOM 5535 C CA . ALA E 5 141 ? -32.952 43.465 -13.409 1.00 30.82 ? 144 ALA E CA 1 +ATOM 5536 C C . ALA E 5 141 ? -31.602 42.978 -12.929 1.00 29.31 ? 144 ALA E C 1 +ATOM 5537 O O . ALA E 5 141 ? -30.757 43.777 -12.520 1.00 29.39 ? 144 ALA E O 1 +ATOM 5538 C CB . ALA E 5 141 ? -32.791 44.291 -14.680 1.00 28.59 ? 144 ALA E CB 1 +ATOM 5539 N N . THR E 5 142 ? -31.407 41.666 -12.949 1.00 27.57 ? 145 THR E N 1 +ATOM 5540 C CA . THR E 5 142 ? -30.146 41.108 -12.495 1.00 30.96 ? 145 THR E CA 1 +ATOM 5541 C C . THR E 5 142 ? -29.337 40.560 -13.648 1.00 31.61 ? 145 THR E C 1 +ATOM 5542 O O . THR E 5 142 ? -29.778 39.635 -14.342 1.00 31.10 ? 145 THR E O 1 +ATOM 5543 C CB . THR E 5 142 ? -30.341 39.944 -11.487 1.00 33.28 ? 145 THR E CB 1 +ATOM 5544 O OG1 . THR E 5 142 ? -31.323 40.286 -10.506 1.00 34.22 ? 145 THR E OG1 1 +ATOM 5545 C CG2 . THR E 5 142 ? -29.044 39.646 -10.779 1.00 34.23 ? 145 THR E CG2 1 +ATOM 5546 N N . LEU E 5 143 ? -28.176 41.163 -13.874 1.00 32.08 ? 146 LEU E N 1 +ATOM 5547 C CA . LEU E 5 143 ? -27.259 40.712 -14.915 1.00 28.77 ? 146 LEU E CA 1 +ATOM 5548 C C . LEU E 5 143 ? -26.342 39.774 -14.162 1.00 26.49 ? 146 LEU E C 1 +ATOM 5549 O O . LEU E 5 143 ? -26.118 39.968 -12.976 1.00 31.33 ? 146 LEU E O 1 +ATOM 5550 C CB . LEU E 5 143 ? -26.430 41.881 -15.475 1.00 28.19 ? 146 LEU E CB 1 +ATOM 5551 C CG . LEU E 5 143 ? -26.917 42.758 -16.643 1.00 27.80 ? 146 LEU E CG 1 +ATOM 5552 C CD1 . LEU E 5 143 ? -28.170 43.502 -16.296 1.00 30.53 ? 146 LEU E CD1 1 +ATOM 5553 C CD2 . LEU E 5 143 ? -25.853 43.771 -16.987 1.00 27.03 ? 146 LEU E CD2 1 +ATOM 5554 N N . VAL E 5 144 ? -25.868 38.726 -14.817 1.00 27.28 ? 147 VAL E N 1 +ATOM 5555 C CA . VAL E 5 144 ? -24.959 37.787 -14.183 1.00 23.84 ? 147 VAL E CA 1 +ATOM 5556 C C . VAL E 5 144 ? -23.742 37.538 -15.061 1.00 25.43 ? 147 VAL E C 1 +ATOM 5557 O O . VAL E 5 144 ? -23.863 37.253 -16.244 1.00 25.49 ? 147 VAL E O 1 +ATOM 5558 C CB . VAL E 5 144 ? -25.664 36.443 -13.786 1.00 27.54 ? 147 VAL E CB 1 +ATOM 5559 C CG1 . VAL E 5 144 ? -26.662 36.045 -14.804 1.00 32.26 ? 147 VAL E CG1 1 +ATOM 5560 C CG2 . VAL E 5 144 ? -24.641 35.310 -13.600 1.00 26.57 ? 147 VAL E CG2 1 +ATOM 5561 N N . CYS E 5 145 ? -22.566 37.733 -14.484 1.00 26.81 ? 148 CYS E N 1 +ATOM 5562 C CA . CYS E 5 145 ? -21.324 37.523 -15.192 1.00 26.69 ? 148 CYS E CA 1 +ATOM 5563 C C . CYS E 5 145 ? -20.860 36.110 -14.922 1.00 30.90 ? 148 CYS E C 1 +ATOM 5564 O O . CYS E 5 145 ? -21.043 35.607 -13.820 1.00 39.07 ? 148 CYS E O 1 +ATOM 5565 C CB . CYS E 5 145 ? -20.263 38.478 -14.684 1.00 23.83 ? 148 CYS E CB 1 +ATOM 5566 S SG . CYS E 5 145 ? -18.740 38.270 -15.623 1.00 37.11 ? 148 CYS E SG 1 +ATOM 5567 N N . LEU E 5 146 ? -20.212 35.482 -15.893 1.00 33.42 ? 149 LEU E N 1 +ATOM 5568 C CA . LEU E 5 146 ? -19.737 34.121 -15.701 1.00 32.82 ? 149 LEU E CA 1 +ATOM 5569 C C . LEU E 5 146 ? -18.364 33.930 -16.324 1.00 35.73 ? 149 LEU E C 1 +ATOM 5570 O O . LEU E 5 146 ? -18.205 33.911 -17.553 1.00 38.04 ? 149 LEU E O 1 +ATOM 5571 C CB . LEU E 5 146 ? -20.736 33.118 -16.282 1.00 33.20 ? 149 LEU E CB 1 +ATOM 5572 C CG . LEU E 5 146 ? -20.601 31.649 -15.875 1.00 29.52 ? 149 LEU E CG 1 +ATOM 5573 C CD1 . LEU E 5 146 ? -20.541 31.546 -14.348 1.00 31.82 ? 149 LEU E CD1 1 +ATOM 5574 C CD2 . LEU E 5 146 ? -21.782 30.857 -16.435 1.00 25.92 ? 149 LEU E CD2 1 +ATOM 5575 N N . ALA E 5 147 ? -17.366 33.838 -15.454 1.00 34.21 ? 150 ALA E N 1 +ATOM 5576 C CA . ALA E 5 147 ? -15.987 33.639 -15.865 1.00 31.48 ? 150 ALA E CA 1 +ATOM 5577 C C . ALA E 5 147 ? -15.726 32.161 -15.706 1.00 27.53 ? 150 ALA E C 1 +ATOM 5578 O O . ALA E 5 147 ? -15.992 31.617 -14.646 1.00 34.76 ? 150 ALA E O 1 +ATOM 5579 C CB . ALA E 5 147 ? -15.054 34.426 -14.962 1.00 25.34 ? 150 ALA E CB 1 +ATOM 5580 N N . THR E 5 148 ? -15.244 31.497 -16.750 1.00 27.25 ? 151 THR E N 1 +ATOM 5581 C CA . THR E 5 148 ? -14.964 30.069 -16.647 1.00 30.63 ? 151 THR E CA 1 +ATOM 5582 C C . THR E 5 148 ? -13.711 29.636 -17.384 1.00 25.98 ? 151 THR E C 1 +ATOM 5583 O O . THR E 5 148 ? -13.107 30.421 -18.118 1.00 25.72 ? 151 THR E O 1 +ATOM 5584 C CB . THR E 5 148 ? -16.137 29.194 -17.167 1.00 35.64 ? 151 THR E CB 1 +ATOM 5585 O OG1 . THR E 5 148 ? -16.256 29.337 -18.590 1.00 49.31 ? 151 THR E OG1 1 +ATOM 5586 C CG2 . THR E 5 148 ? -17.439 29.587 -16.508 1.00 36.27 ? 151 THR E CG2 1 +ATOM 5587 N N . GLY E 5 149 ? -13.275 28.416 -17.077 1.00 25.99 ? 152 GLY E N 1 +ATOM 5588 C CA . GLY E 5 149 ? -12.118 27.825 -17.725 1.00 24.30 ? 152 GLY E CA 1 +ATOM 5589 C C . GLY E 5 149 ? -10.743 28.229 -17.255 1.00 26.73 ? 152 GLY E C 1 +ATOM 5590 O O . GLY E 5 149 ? -9.750 27.609 -17.652 1.00 27.77 ? 152 GLY E O 1 +ATOM 5591 N N . PHE E 5 150 ? -10.670 29.226 -16.385 1.00 25.50 ? 153 PHE E N 1 +ATOM 5592 C CA . PHE E 5 150 ? -9.378 29.673 -15.904 1.00 22.22 ? 153 PHE E CA 1 +ATOM 5593 C C . PHE E 5 150 ? -8.667 28.793 -14.863 1.00 25.03 ? 153 PHE E C 1 +ATOM 5594 O O . PHE E 5 150 ? -9.277 28.088 -14.071 1.00 24.77 ? 153 PHE E O 1 +ATOM 5595 C CB . PHE E 5 150 ? -9.454 31.120 -15.401 1.00 24.57 ? 153 PHE E CB 1 +ATOM 5596 C CG . PHE E 5 150 ? -10.326 31.316 -14.181 1.00 18.69 ? 153 PHE E CG 1 +ATOM 5597 C CD1 . PHE E 5 150 ? -11.692 31.481 -14.313 1.00 17.40 ? 153 PHE E CD1 1 +ATOM 5598 C CD2 . PHE E 5 150 ? -9.773 31.375 -12.917 1.00 16.74 ? 153 PHE E CD2 1 +ATOM 5599 C CE1 . PHE E 5 150 ? -12.499 31.702 -13.214 1.00 19.16 ? 153 PHE E CE1 1 +ATOM 5600 C CE2 . PHE E 5 150 ? -10.574 31.596 -11.816 1.00 22.77 ? 153 PHE E CE2 1 +ATOM 5601 C CZ . PHE E 5 150 ? -11.942 31.759 -11.970 1.00 26.07 ? 153 PHE E CZ 1 +ATOM 5602 N N . TYR E 5 151 ? -7.349 28.830 -14.921 1.00 26.69 ? 154 TYR E N 1 +ATOM 5603 C CA . TYR E 5 151 ? -6.475 28.136 -14.010 1.00 28.69 ? 154 TYR E CA 1 +ATOM 5604 C C . TYR E 5 151 ? -5.156 28.906 -14.154 1.00 32.54 ? 154 TYR E C 1 +ATOM 5605 O O . TYR E 5 151 ? -4.676 29.114 -15.263 1.00 35.00 ? 154 TYR E O 1 +ATOM 5606 C CB . TYR E 5 151 ? -6.296 26.665 -14.392 1.00 32.87 ? 154 TYR E CB 1 +ATOM 5607 C CG . TYR E 5 151 ? -5.250 26.027 -13.519 1.00 40.98 ? 154 TYR E CG 1 +ATOM 5608 C CD1 . TYR E 5 151 ? -5.576 25.501 -12.272 1.00 45.04 ? 154 TYR E CD1 1 +ATOM 5609 C CD2 . TYR E 5 151 ? -3.909 26.091 -13.869 1.00 45.63 ? 154 TYR E CD2 1 +ATOM 5610 C CE1 . TYR E 5 151 ? -4.589 25.063 -11.394 1.00 50.99 ? 154 TYR E CE1 1 +ATOM 5611 C CE2 . TYR E 5 151 ? -2.912 25.662 -12.999 1.00 52.68 ? 154 TYR E CE2 1 +ATOM 5612 C CZ . TYR E 5 151 ? -3.254 25.154 -11.762 1.00 52.49 ? 154 TYR E CZ 1 +ATOM 5613 O OH . TYR E 5 151 ? -2.256 24.771 -10.894 1.00 53.27 ? 154 TYR E OH 1 +ATOM 5614 N N . PRO E 5 152 ? -4.541 29.359 -13.035 1.00 34.50 ? 155 PRO E N 1 +ATOM 5615 C CA . PRO E 5 152 ? -4.916 29.285 -11.613 1.00 30.53 ? 155 PRO E CA 1 +ATOM 5616 C C . PRO E 5 152 ? -6.084 30.200 -11.260 1.00 29.16 ? 155 PRO E C 1 +ATOM 5617 O O . PRO E 5 152 ? -6.407 31.113 -12.011 1.00 31.71 ? 155 PRO E O 1 +ATOM 5618 C CB . PRO E 5 152 ? -3.631 29.734 -10.930 1.00 26.85 ? 155 PRO E CB 1 +ATOM 5619 C CG . PRO E 5 152 ? -3.124 30.765 -11.875 1.00 28.08 ? 155 PRO E CG 1 +ATOM 5620 C CD . PRO E 5 152 ? -3.276 30.082 -13.200 1.00 31.39 ? 155 PRO E CD 1 +ATOM 5621 N N . ASP E 5 153 ? -6.705 29.971 -10.108 1.00 25.63 ? 156 ASP E N 1 +ATOM 5622 C CA . ASP E 5 153 ? -7.846 30.776 -9.676 1.00 25.61 ? 156 ASP E CA 1 +ATOM 5623 C C . ASP E 5 153 ? -7.562 32.256 -9.327 1.00 25.96 ? 156 ASP E C 1 +ATOM 5624 O O . ASP E 5 153 ? -8.396 32.912 -8.699 1.00 32.69 ? 156 ASP E O 1 +ATOM 5625 C CB . ASP E 5 153 ? -8.561 30.094 -8.499 1.00 29.14 ? 156 ASP E CB 1 +ATOM 5626 C CG . ASP E 5 153 ? -7.689 29.983 -7.246 1.00 35.32 ? 156 ASP E CG 1 +ATOM 5627 O OD1 . ASP E 5 153 ? -6.444 29.843 -7.356 1.00 36.00 ? 156 ASP E OD1 1 +ATOM 5628 O OD2 . ASP E 5 153 ? -8.263 30.020 -6.137 1.00 37.89 ? 156 ASP E OD2 1 +ATOM 5629 N N . HIS E 5 154 ? -6.414 32.787 -9.746 1.00 17.37 ? 157 HIS E N 1 +ATOM 5630 C CA . HIS E 5 154 ? -6.051 34.178 -9.470 1.00 14.45 ? 157 HIS E CA 1 +ATOM 5631 C C . HIS E 5 154 ? -6.869 35.162 -10.320 1.00 19.05 ? 157 HIS E C 1 +ATOM 5632 O O . HIS E 5 154 ? -6.443 35.542 -11.416 1.00 16.46 ? 157 HIS E O 1 +ATOM 5633 C CB . HIS E 5 154 ? -4.569 34.424 -9.783 1.00 17.30 ? 157 HIS E CB 1 +ATOM 5634 C CG . HIS E 5 154 ? -3.617 33.511 -9.071 1.00 19.44 ? 157 HIS E CG 1 +ATOM 5635 N ND1 . HIS E 5 154 ? -4.027 32.521 -8.202 1.00 22.15 ? 157 HIS E ND1 1 +ATOM 5636 C CD2 . HIS E 5 154 ? -2.261 33.437 -9.110 1.00 23.58 ? 157 HIS E CD2 1 +ATOM 5637 C CE1 . HIS E 5 154 ? -2.970 31.878 -7.736 1.00 22.77 ? 157 HIS E CE1 1 +ATOM 5638 N NE2 . HIS E 5 154 ? -1.887 32.415 -8.273 1.00 24.51 ? 157 HIS E NE2 1 +ATOM 5639 N N . VAL E 5 155 ? -8.036 35.574 -9.843 1.00 22.07 ? 158 VAL E N 1 +ATOM 5640 C CA . VAL E 5 155 ? -8.837 36.520 -10.616 1.00 25.72 ? 158 VAL E CA 1 +ATOM 5641 C C . VAL E 5 155 ? -9.540 37.600 -9.815 1.00 28.40 ? 158 VAL E C 1 +ATOM 5642 O O . VAL E 5 155 ? -9.923 37.397 -8.663 1.00 30.82 ? 158 VAL E O 1 +ATOM 5643 C CB . VAL E 5 155 ? -9.931 35.830 -11.484 1.00 21.13 ? 158 VAL E CB 1 +ATOM 5644 C CG1 . VAL E 5 155 ? -9.302 34.867 -12.503 1.00 15.84 ? 158 VAL E CG1 1 +ATOM 5645 C CG2 . VAL E 5 155 ? -10.981 35.179 -10.592 1.00 11.93 ? 158 VAL E CG2 1 +ATOM 5646 N N . GLU E 5 156 ? -9.781 38.716 -10.500 1.00 32.46 ? 159 GLU E N 1 +ATOM 5647 C CA . GLU E 5 156 ? -10.460 39.894 -9.967 1.00 27.84 ? 159 GLU E CA 1 +ATOM 5648 C C . GLU E 5 156 ? -11.554 40.336 -10.954 1.00 22.63 ? 159 GLU E C 1 +ATOM 5649 O O . GLU E 5 156 ? -11.272 40.862 -12.028 1.00 26.91 ? 159 GLU E O 1 +ATOM 5650 C CB . GLU E 5 156 ? -9.452 41.041 -9.758 1.00 28.10 ? 159 GLU E CB 1 +ATOM 5651 C CG . GLU E 5 156 ? -8.483 40.832 -8.610 1.00 32.98 ? 159 GLU E CG 1 +ATOM 5652 C CD . GLU E 5 156 ? -7.334 41.826 -8.593 1.00 36.00 ? 159 GLU E CD 1 +ATOM 5653 O OE1 . GLU E 5 156 ? -7.407 42.855 -9.287 1.00 38.25 ? 159 GLU E OE1 1 +ATOM 5654 O OE2 . GLU E 5 156 ? -6.343 41.572 -7.882 1.00 41.07 ? 159 GLU E OE2 1 +ATOM 5655 N N . LEU E 5 157 ? -12.800 40.084 -10.598 1.00 17.49 ? 160 LEU E N 1 +ATOM 5656 C CA . LEU E 5 157 ? -13.933 40.452 -11.427 1.00 25.49 ? 160 LEU E CA 1 +ATOM 5657 C C . LEU E 5 157 ? -14.608 41.744 -10.925 1.00 28.88 ? 160 LEU E C 1 +ATOM 5658 O O . LEU E 5 157 ? -14.986 41.848 -9.749 1.00 30.27 ? 160 LEU E O 1 +ATOM 5659 C CB . LEU E 5 157 ? -14.932 39.283 -11.455 1.00 27.78 ? 160 LEU E CB 1 +ATOM 5660 C CG . LEU E 5 157 ? -16.325 39.400 -12.083 1.00 24.65 ? 160 LEU E CG 1 +ATOM 5661 C CD1 . LEU E 5 157 ? -16.889 38.022 -12.352 1.00 30.43 ? 160 LEU E CD1 1 +ATOM 5662 C CD2 . LEU E 5 157 ? -17.236 40.141 -11.170 1.00 29.65 ? 160 LEU E CD2 1 +ATOM 5663 N N . SER E 5 158 ? -14.781 42.713 -11.827 1.00 31.98 ? 161 SER E N 1 +ATOM 5664 C CA . SER E 5 158 ? -15.419 43.989 -11.507 1.00 24.24 ? 161 SER E CA 1 +ATOM 5665 C C . SER E 5 158 ? -16.482 44.359 -12.534 1.00 31.95 ? 161 SER E C 1 +ATOM 5666 O O . SER E 5 158 ? -16.406 43.961 -13.697 1.00 32.56 ? 161 SER E O 1 +ATOM 5667 C CB . SER E 5 158 ? -14.381 45.110 -11.431 1.00 18.91 ? 161 SER E CB 1 +ATOM 5668 O OG . SER E 5 158 ? -13.550 45.164 -12.579 1.00 20.43 ? 161 SER E OG 1 +ATOM 5669 N N . TRP E 5 159 ? -17.492 45.096 -12.090 1.00 33.31 ? 162 TRP E N 1 +ATOM 5670 C CA . TRP E 5 159 ? -18.561 45.526 -12.972 1.00 30.09 ? 162 TRP E CA 1 +ATOM 5671 C C . TRP E 5 159 ? -18.422 47.008 -13.303 1.00 33.54 ? 162 TRP E C 1 +ATOM 5672 O O . TRP E 5 159 ? -18.139 47.832 -12.429 1.00 33.81 ? 162 TRP E O 1 +ATOM 5673 C CB . TRP E 5 159 ? -19.916 45.272 -12.331 1.00 31.30 ? 162 TRP E CB 1 +ATOM 5674 C CG . TRP E 5 159 ? -20.320 43.835 -12.313 1.00 28.67 ? 162 TRP E CG 1 +ATOM 5675 C CD1 . TRP E 5 159 ? -20.075 42.929 -11.331 1.00 23.65 ? 162 TRP E CD1 1 +ATOM 5676 C CD2 . TRP E 5 159 ? -21.114 43.153 -13.307 1.00 29.58 ? 162 TRP E CD2 1 +ATOM 5677 N NE1 . TRP E 5 159 ? -20.672 41.728 -11.628 1.00 29.62 ? 162 TRP E NE1 1 +ATOM 5678 C CE2 . TRP E 5 159 ? -21.315 41.839 -12.838 1.00 28.77 ? 162 TRP E CE2 1 +ATOM 5679 C CE3 . TRP E 5 159 ? -21.670 43.528 -14.537 1.00 26.43 ? 162 TRP E CE3 1 +ATOM 5680 C CZ2 . TRP E 5 159 ? -22.055 40.894 -13.556 1.00 21.31 ? 162 TRP E CZ2 1 +ATOM 5681 C CZ3 . TRP E 5 159 ? -22.408 42.589 -15.255 1.00 18.37 ? 162 TRP E CZ3 1 +ATOM 5682 C CH2 . TRP E 5 159 ? -22.592 41.288 -14.759 1.00 23.38 ? 162 TRP E CH2 1 +ATOM 5683 N N . TRP E 5 160 ? -18.658 47.342 -14.569 1.00 35.78 ? 163 TRP E N 1 +ATOM 5684 C CA . TRP E 5 160 ? -18.552 48.713 -15.062 1.00 34.03 ? 163 TRP E CA 1 +ATOM 5685 C C . TRP E 5 160 ? -19.758 49.128 -15.912 1.00 36.13 ? 163 TRP E C 1 +ATOM 5686 O O . TRP E 5 160 ? -20.065 48.481 -16.915 1.00 40.57 ? 163 TRP E O 1 +ATOM 5687 C CB . TRP E 5 160 ? -17.303 48.843 -15.927 1.00 29.00 ? 163 TRP E CB 1 +ATOM 5688 C CG . TRP E 5 160 ? -16.008 48.478 -15.271 1.00 25.34 ? 163 TRP E CG 1 +ATOM 5689 C CD1 . TRP E 5 160 ? -15.598 47.227 -14.865 1.00 19.97 ? 163 TRP E CD1 1 +ATOM 5690 C CD2 . TRP E 5 160 ? -14.894 49.344 -15.076 1.00 19.20 ? 163 TRP E CD2 1 +ATOM 5691 N NE1 . TRP E 5 160 ? -14.288 47.277 -14.452 1.00 18.80 ? 163 TRP E NE1 1 +ATOM 5692 C CE2 . TRP E 5 160 ? -13.830 48.560 -14.576 1.00 18.64 ? 163 TRP E CE2 1 +ATOM 5693 C CE3 . TRP E 5 160 ? -14.683 50.712 -15.297 1.00 15.54 ? 163 TRP E CE3 1 +ATOM 5694 C CZ2 . TRP E 5 160 ? -12.575 49.102 -14.302 1.00 25.44 ? 163 TRP E CZ2 1 +ATOM 5695 C CZ3 . TRP E 5 160 ? -13.440 51.246 -15.024 1.00 15.62 ? 163 TRP E CZ3 1 +ATOM 5696 C CH2 . TRP E 5 160 ? -12.398 50.443 -14.533 1.00 22.71 ? 163 TRP E CH2 1 +ATOM 5697 N N . VAL E 5 161 ? -20.404 50.232 -15.551 1.00 34.51 ? 164 VAL E N 1 +ATOM 5698 C CA . VAL E 5 161 ? -21.557 50.718 -16.308 1.00 35.57 ? 164 VAL E CA 1 +ATOM 5699 C C . VAL E 5 161 ? -21.191 52.070 -16.886 1.00 36.47 ? 164 VAL E C 1 +ATOM 5700 O O . VAL E 5 161 ? -20.689 52.937 -16.169 1.00 40.91 ? 164 VAL E O 1 +ATOM 5701 C CB . VAL E 5 161 ? -22.816 50.868 -15.425 1.00 38.67 ? 164 VAL E CB 1 +ATOM 5702 C CG1 . VAL E 5 161 ? -23.924 51.587 -16.187 1.00 35.13 ? 164 VAL E CG1 1 +ATOM 5703 C CG2 . VAL E 5 161 ? -23.304 49.499 -14.977 1.00 36.78 ? 164 VAL E CG2 1 +ATOM 5704 N N . ASN E 5 162 ? -21.422 52.242 -18.183 1.00 33.85 ? 165 ASN E N 1 +ATOM 5705 C CA . ASN E 5 162 ? -21.101 53.488 -18.865 1.00 29.08 ? 165 ASN E CA 1 +ATOM 5706 C C . ASN E 5 162 ? -19.630 53.855 -18.647 1.00 30.67 ? 165 ASN E C 1 +ATOM 5707 O O . ASN E 5 162 ? -19.275 55.011 -18.419 1.00 32.40 ? 165 ASN E O 1 +ATOM 5708 C CB . ASN E 5 162 ? -22.055 54.622 -18.443 1.00 35.40 ? 165 ASN E CB 1 +ATOM 5709 C CG . ASN E 5 162 ? -23.497 54.391 -18.918 1.00 39.55 ? 165 ASN E CG 1 +ATOM 5710 O OD1 . ASN E 5 162 ? -23.752 53.498 -19.728 1.00 40.58 ? 165 ASN E OD1 1 +ATOM 5711 N ND2 . ASN E 5 162 ? -24.443 55.164 -18.384 1.00 34.70 ? 165 ASN E ND2 1 +ATOM 5712 N N . GLY E 5 163 ? -18.782 52.832 -18.701 1.00 30.86 ? 166 GLY E N 1 +ATOM 5713 C CA . GLY E 5 163 ? -17.352 53.013 -18.550 1.00 34.37 ? 166 GLY E CA 1 +ATOM 5714 C C . GLY E 5 163 ? -16.835 53.276 -17.154 1.00 38.45 ? 166 GLY E C 1 +ATOM 5715 O O . GLY E 5 163 ? -15.637 53.200 -16.926 1.00 46.52 ? 166 GLY E O 1 +ATOM 5716 N N . LYS E 5 164 ? -17.718 53.537 -16.203 1.00 42.62 ? 167 LYS E N 1 +ATOM 5717 C CA . LYS E 5 164 ? -17.277 53.821 -14.844 1.00 42.86 ? 167 LYS E CA 1 +ATOM 5718 C C . LYS E 5 164 ? -17.574 52.628 -13.948 1.00 40.91 ? 167 LYS E C 1 +ATOM 5719 O O . LYS E 5 164 ? -18.640 52.018 -14.051 1.00 39.58 ? 167 LYS E O 1 +ATOM 5720 C CB . LYS E 5 164 ? -17.978 55.079 -14.324 1.00 49.22 ? 167 LYS E CB 1 +ATOM 5721 C CG . LYS E 5 164 ? -17.652 56.348 -15.108 1.00 58.00 ? 167 LYS E CG 1 +ATOM 5722 C CD . LYS E 5 164 ? -18.901 57.191 -15.306 1.00 69.73 ? 167 LYS E CD 1 +ATOM 5723 C CE . LYS E 5 164 ? -18.651 58.419 -16.178 1.00 72.22 ? 167 LYS E CE 1 +ATOM 5724 N NZ . LYS E 5 164 ? -19.956 59.012 -16.618 1.00 74.32 ? 167 LYS E NZ 1 +ATOM 5725 N N . GLU E 5 165 ? -16.629 52.261 -13.093 1.00 39.53 ? 168 GLU E N 1 +ATOM 5726 C CA . GLU E 5 165 ? -16.872 51.128 -12.221 1.00 44.57 ? 168 GLU E CA 1 +ATOM 5727 C C . GLU E 5 165 ? -18.071 51.337 -11.288 1.00 50.20 ? 168 GLU E C 1 +ATOM 5728 O O . GLU E 5 165 ? -18.430 52.473 -10.932 1.00 50.23 ? 168 GLU E O 1 +ATOM 5729 C CB . GLU E 5 165 ? -15.630 50.739 -11.427 1.00 40.63 ? 168 GLU E CB 1 +ATOM 5730 C CG . GLU E 5 165 ? -15.772 49.355 -10.823 1.00 35.02 ? 168 GLU E CG 1 +ATOM 5731 C CD . GLU E 5 165 ? -14.536 48.870 -10.100 1.00 46.22 ? 168 GLU E CD 1 +ATOM 5732 O OE1 . GLU E 5 165 ? -13.471 49.540 -10.160 1.00 43.89 ? 168 GLU E OE1 1 +ATOM 5733 O OE2 . GLU E 5 165 ? -14.644 47.795 -9.466 1.00 49.27 ? 168 GLU E OE2 1 +ATOM 5734 N N . VAL E 5 166 ? -18.702 50.217 -10.936 1.00 51.90 ? 169 VAL E N 1 +ATOM 5735 C CA . VAL E 5 166 ? -19.873 50.179 -10.071 1.00 50.12 ? 169 VAL E CA 1 +ATOM 5736 C C . VAL E 5 166 ? -19.616 49.194 -8.927 1.00 52.36 ? 169 VAL E C 1 +ATOM 5737 O O . VAL E 5 166 ? -18.902 48.195 -9.091 1.00 54.75 ? 169 VAL E O 1 +ATOM 5738 C CB . VAL E 5 166 ? -21.112 49.730 -10.881 1.00 48.39 ? 169 VAL E CB 1 +ATOM 5739 C CG1 . VAL E 5 166 ? -22.281 49.431 -9.973 1.00 56.17 ? 169 VAL E CG1 1 +ATOM 5740 C CG2 . VAL E 5 166 ? -21.496 50.813 -11.864 1.00 53.38 ? 169 VAL E CG2 1 +ATOM 5741 N N . HIS E 5 167 ? -20.156 49.514 -7.755 1.00 52.31 ? 170 HIS E N 1 +ATOM 5742 C CA . HIS E 5 167 ? -20.008 48.669 -6.577 1.00 50.18 ? 170 HIS E CA 1 +ATOM 5743 C C . HIS E 5 167 ? -21.348 48.276 -5.988 1.00 47.91 ? 170 HIS E C 1 +ATOM 5744 O O . HIS E 5 167 ? -21.489 47.181 -5.441 1.00 52.26 ? 170 HIS E O 1 +ATOM 5745 C CB . HIS E 5 167 ? -19.163 49.367 -5.517 1.00 51.72 ? 170 HIS E CB 1 +ATOM 5746 C CG . HIS E 5 167 ? -17.713 49.410 -5.857 1.00 54.66 ? 170 HIS E CG 1 +ATOM 5747 N ND1 . HIS E 5 167 ? -16.907 48.293 -5.792 1.00 54.23 ? 170 HIS E ND1 1 +ATOM 5748 C CD2 . HIS E 5 167 ? -16.934 50.414 -6.325 1.00 53.44 ? 170 HIS E CD2 1 +ATOM 5749 C CE1 . HIS E 5 167 ? -15.693 48.606 -6.210 1.00 57.28 ? 170 HIS E CE1 1 +ATOM 5750 N NE2 . HIS E 5 167 ? -15.682 49.886 -6.540 1.00 56.93 ? 170 HIS E NE2 1 +ATOM 5751 N N . SER E 5 168 ? -22.319 49.180 -6.087 1.00 43.63 ? 171 SER E N 1 +ATOM 5752 C CA . SER E 5 168 ? -23.659 48.946 -5.567 1.00 42.14 ? 171 SER E CA 1 +ATOM 5753 C C . SER E 5 168 ? -24.335 47.875 -6.420 1.00 39.89 ? 171 SER E C 1 +ATOM 5754 O O . SER E 5 168 ? -23.980 47.666 -7.587 1.00 39.29 ? 171 SER E O 1 +ATOM 5755 C CB . SER E 5 168 ? -24.472 50.257 -5.606 1.00 47.78 ? 171 SER E CB 1 +ATOM 5756 O OG . SER E 5 168 ? -25.739 50.159 -4.959 1.00 51.13 ? 171 SER E OG 1 +ATOM 5757 N N . GLY E 5 169 ? -25.269 47.155 -5.815 1.00 35.76 ? 172 GLY E N 1 +ATOM 5758 C CA . GLY E 5 169 ? -25.987 46.135 -6.550 1.00 28.50 ? 172 GLY E CA 1 +ATOM 5759 C C . GLY E 5 169 ? -25.184 44.929 -6.971 1.00 29.97 ? 172 GLY E C 1 +ATOM 5760 O O . GLY E 5 169 ? -25.767 43.941 -7.430 1.00 25.22 ? 172 GLY E O 1 +ATOM 5761 N N . VAL E 5 170 ? -23.861 44.987 -6.836 1.00 29.35 ? 173 VAL E N 1 +ATOM 5762 C CA . VAL E 5 170 ? -23.064 43.837 -7.218 1.00 32.45 ? 173 VAL E CA 1 +ATOM 5763 C C . VAL E 5 170 ? -22.802 42.918 -6.047 1.00 34.32 ? 173 VAL E C 1 +ATOM 5764 O O . VAL E 5 170 ? -22.747 43.351 -4.887 1.00 33.57 ? 173 VAL E O 1 +ATOM 5765 C CB . VAL E 5 170 ? -21.736 44.181 -8.001 1.00 34.45 ? 173 VAL E CB 1 +ATOM 5766 C CG1 . VAL E 5 170 ? -21.560 45.664 -8.192 1.00 35.15 ? 173 VAL E CG1 1 +ATOM 5767 C CG2 . VAL E 5 170 ? -20.520 43.558 -7.343 1.00 36.21 ? 173 VAL E CG2 1 +ATOM 5768 N N . SER E 5 171 ? -22.691 41.637 -6.391 1.00 35.30 ? 174 SER E N 1 +ATOM 5769 C CA . SER E 5 171 ? -22.448 40.531 -5.475 1.00 34.55 ? 174 SER E CA 1 +ATOM 5770 C C . SER E 5 171 ? -21.583 39.544 -6.243 1.00 34.23 ? 174 SER E C 1 +ATOM 5771 O O . SER E 5 171 ? -21.982 39.069 -7.295 1.00 36.07 ? 174 SER E O 1 +ATOM 5772 C CB . SER E 5 171 ? -23.764 39.845 -5.123 1.00 32.86 ? 174 SER E CB 1 +ATOM 5773 O OG . SER E 5 171 ? -23.533 38.569 -4.557 1.00 36.14 ? 174 SER E OG 1 +ATOM 5774 N N . THR E 5 172 ? -20.446 39.167 -5.682 1.00 32.63 ? 175 THR E N 1 +ATOM 5775 C CA . THR E 5 172 ? -19.554 38.255 -6.361 1.00 35.19 ? 175 THR E CA 1 +ATOM 5776 C C . THR E 5 172 ? -18.986 37.189 -5.428 1.00 36.42 ? 175 THR E C 1 +ATOM 5777 O O . THR E 5 172 ? -18.503 37.502 -4.332 1.00 42.61 ? 175 THR E O 1 +ATOM 5778 C CB . THR E 5 172 ? -18.425 39.066 -7.050 1.00 37.24 ? 175 THR E CB 1 +ATOM 5779 O OG1 . THR E 5 172 ? -17.369 38.198 -7.452 1.00 44.82 ? 175 THR E OG1 1 +ATOM 5780 C CG2 . THR E 5 172 ? -17.877 40.126 -6.122 1.00 45.25 ? 175 THR E CG2 1 +ATOM 5781 N N . ASP E 5 173 ? -19.060 35.930 -5.858 1.00 34.33 ? 176 ASP E N 1 +ATOM 5782 C CA . ASP E 5 173 ? -18.542 34.804 -5.079 1.00 36.93 ? 176 ASP E CA 1 +ATOM 5783 C C . ASP E 5 173 ? -17.215 35.090 -4.403 1.00 41.23 ? 176 ASP E C 1 +ATOM 5784 O O . ASP E 5 173 ? -16.256 35.510 -5.047 1.00 45.16 ? 176 ASP E O 1 +ATOM 5785 C CB . ASP E 5 173 ? -18.342 33.597 -5.966 1.00 33.97 ? 176 ASP E CB 1 +ATOM 5786 C CG . ASP E 5 173 ? -19.601 33.142 -6.592 1.00 37.17 ? 176 ASP E CG 1 +ATOM 5787 O OD1 . ASP E 5 173 ? -20.676 33.441 -6.036 1.00 43.61 ? 176 ASP E OD1 1 +ATOM 5788 O OD2 . ASP E 5 173 ? -19.513 32.489 -7.647 1.00 40.93 ? 176 ASP E OD2 1 +ATOM 5789 N N . PRO E 5 174 ? -17.117 34.759 -3.110 1.00 43.39 ? 177 PRO E N 1 +ATOM 5790 C CA . PRO E 5 174 ? -15.906 34.974 -2.314 1.00 42.15 ? 177 PRO E CA 1 +ATOM 5791 C C . PRO E 5 174 ? -14.738 34.139 -2.804 1.00 39.65 ? 177 PRO E C 1 +ATOM 5792 O O . PRO E 5 174 ? -13.581 34.533 -2.648 1.00 40.85 ? 177 PRO E O 1 +ATOM 5793 C CB . PRO E 5 174 ? -16.337 34.533 -0.916 1.00 44.05 ? 177 PRO E CB 1 +ATOM 5794 C CG . PRO E 5 174 ? -17.825 34.723 -0.932 1.00 49.30 ? 177 PRO E CG 1 +ATOM 5795 C CD . PRO E 5 174 ? -18.177 34.175 -2.286 1.00 46.82 ? 177 PRO E CD 1 +ATOM 5796 N N . GLN E 5 175 ? -15.043 32.988 -3.397 1.00 34.72 ? 178 GLN E N 1 +ATOM 5797 C CA . GLN E 5 175 ? -14.005 32.099 -3.888 1.00 35.02 ? 178 GLN E CA 1 +ATOM 5798 C C . GLN E 5 175 ? -14.490 31.332 -5.114 1.00 34.44 ? 178 GLN E C 1 +ATOM 5799 O O . GLN E 5 175 ? -15.648 30.936 -5.176 1.00 37.26 ? 178 GLN E O 1 +ATOM 5800 C CB . GLN E 5 175 ? -13.577 31.137 -2.772 1.00 38.19 ? 178 GLN E CB 1 +ATOM 5801 N N . PRO E 5 176 ? -13.632 31.169 -6.132 1.00 35.86 ? 179 PRO E N 1 +ATOM 5802 C CA . PRO E 5 176 ? -13.995 30.450 -7.356 1.00 35.89 ? 179 PRO E CA 1 +ATOM 5803 C C . PRO E 5 176 ? -14.213 28.952 -7.112 1.00 35.91 ? 179 PRO E C 1 +ATOM 5804 O O . PRO E 5 176 ? -13.543 28.342 -6.278 1.00 39.78 ? 179 PRO E O 1 +ATOM 5805 C CB . PRO E 5 176 ? -12.777 30.673 -8.268 1.00 36.07 ? 179 PRO E CB 1 +ATOM 5806 C CG . PRO E 5 176 ? -12.146 31.935 -7.743 1.00 35.30 ? 179 PRO E CG 1 +ATOM 5807 C CD . PRO E 5 176 ? -12.268 31.731 -6.256 1.00 38.16 ? 179 PRO E CD 1 +ATOM 5808 N N . LEU E 5 177 ? -15.105 28.354 -7.882 1.00 35.16 ? 180 LEU E N 1 +ATOM 5809 C CA . LEU E 5 177 ? -15.381 26.933 -7.751 1.00 37.18 ? 180 LEU E CA 1 +ATOM 5810 C C . LEU E 5 177 ? -14.641 26.093 -8.797 1.00 42.95 ? 180 LEU E C 1 +ATOM 5811 O O . LEU E 5 177 ? -14.603 26.443 -9.981 1.00 44.66 ? 180 LEU E O 1 +ATOM 5812 C CB . LEU E 5 177 ? -16.886 26.673 -7.843 1.00 41.74 ? 180 LEU E CB 1 +ATOM 5813 C CG . LEU E 5 177 ? -17.678 27.339 -8.969 1.00 43.89 ? 180 LEU E CG 1 +ATOM 5814 C CD1 . LEU E 5 177 ? -18.480 26.318 -9.744 1.00 46.05 ? 180 LEU E CD1 1 +ATOM 5815 C CD2 . LEU E 5 177 ? -18.589 28.395 -8.375 1.00 49.30 ? 180 LEU E CD2 1 +ATOM 5816 N N . LYS E 5 178 ? -14.021 25.002 -8.350 1.00 48.78 ? 181 LYS E N 1 +ATOM 5817 C CA . LYS E 5 178 ? -13.298 24.101 -9.255 1.00 49.94 ? 181 LYS E CA 1 +ATOM 5818 C C . LYS E 5 178 ? -14.354 23.435 -10.134 1.00 51.63 ? 181 LYS E C 1 +ATOM 5819 O O . LYS E 5 178 ? -15.370 22.961 -9.619 1.00 54.48 ? 181 LYS E O 1 +ATOM 5820 C CB . LYS E 5 178 ? -12.514 23.046 -8.451 1.00 45.45 ? 181 LYS E CB 1 +ATOM 5821 N N . GLU E 5 179 ? -14.130 23.395 -11.444 1.00 50.77 ? 182 GLU E N 1 +ATOM 5822 C CA . GLU E 5 179 ? -15.115 22.799 -12.339 1.00 53.46 ? 182 GLU E CA 1 +ATOM 5823 C C . GLU E 5 179 ? -14.862 21.353 -12.777 1.00 52.35 ? 182 GLU E C 1 +ATOM 5824 O O . GLU E 5 179 ? -15.528 20.838 -13.671 1.00 51.14 ? 182 GLU E O 1 +ATOM 5825 C CB . GLU E 5 179 ? -15.390 23.715 -13.542 1.00 57.39 ? 182 GLU E CB 1 +ATOM 5826 C CG . GLU E 5 179 ? -14.158 24.139 -14.312 1.00 59.98 ? 182 GLU E CG 1 +ATOM 5827 C CD . GLU E 5 179 ? -14.449 25.056 -15.496 1.00 59.09 ? 182 GLU E CD 1 +ATOM 5828 O OE1 . GLU E 5 179 ? -15.122 26.104 -15.331 1.00 55.68 ? 182 GLU E OE1 1 +ATOM 5829 O OE2 . GLU E 5 179 ? -13.963 24.730 -16.598 1.00 55.60 ? 182 GLU E OE2 1 +ATOM 5830 N N . GLN E 5 180 ? -13.900 20.701 -12.141 1.00 52.64 ? 183 GLN E N 1 +ATOM 5831 C CA . GLN E 5 180 ? -13.562 19.309 -12.413 1.00 53.65 ? 183 GLN E CA 1 +ATOM 5832 C C . GLN E 5 180 ? -12.830 18.890 -11.142 1.00 55.92 ? 183 GLN E C 1 +ATOM 5833 O O . GLN E 5 180 ? -11.618 18.737 -11.148 1.00 58.86 ? 183 GLN E O 1 +ATOM 5834 C CB . GLN E 5 180 ? -12.630 19.213 -13.623 1.00 60.24 ? 183 GLN E CB 1 +ATOM 5835 C CG . GLN E 5 180 ? -13.270 19.544 -14.987 1.00 70.83 ? 183 GLN E CG 1 +ATOM 5836 C CD . GLN E 5 180 ? -14.247 18.473 -15.461 1.00 76.49 ? 183 GLN E CD 1 +ATOM 5837 O OE1 . GLN E 5 180 ? -14.011 17.283 -15.270 1.00 81.95 ? 183 GLN E OE1 1 +ATOM 5838 N NE2 . GLN E 5 180 ? -15.347 18.891 -16.076 1.00 77.50 ? 183 GLN E NE2 1 +ATOM 5839 N N . PRO E 5 181 ? -13.570 18.714 -10.026 1.00 58.00 ? 184 PRO E N 1 +ATOM 5840 C CA . PRO E 5 181 ? -13.092 18.330 -8.686 1.00 58.74 ? 184 PRO E CA 1 +ATOM 5841 C C . PRO E 5 181 ? -12.156 17.129 -8.565 1.00 61.20 ? 184 PRO E C 1 +ATOM 5842 O O . PRO E 5 181 ? -11.374 17.041 -7.622 1.00 61.02 ? 184 PRO E O 1 +ATOM 5843 C CB . PRO E 5 181 ? -14.390 18.094 -7.913 1.00 57.92 ? 184 PRO E CB 1 +ATOM 5844 C CG . PRO E 5 181 ? -15.350 19.010 -8.580 1.00 59.13 ? 184 PRO E CG 1 +ATOM 5845 C CD . PRO E 5 181 ? -15.042 18.772 -10.035 1.00 59.78 ? 184 PRO E CD 1 +ATOM 5846 N N . ALA E 5 182 ? -12.260 16.186 -9.490 1.00 62.89 ? 185 ALA E N 1 +ATOM 5847 C CA . ALA E 5 182 ? -11.402 15.008 -9.459 1.00 63.45 ? 185 ALA E CA 1 +ATOM 5848 C C . ALA E 5 182 ? -9.984 15.307 -9.965 1.00 63.48 ? 185 ALA E C 1 +ATOM 5849 O O . ALA E 5 182 ? -9.040 14.560 -9.699 1.00 63.27 ? 185 ALA E O 1 +ATOM 5850 C CB . ALA E 5 182 ? -12.031 13.909 -10.296 1.00 66.02 ? 185 ALA E CB 1 +ATOM 5851 N N . LEU E 5 183 ? -9.829 16.430 -10.652 1.00 62.90 ? 186 LEU E N 1 +ATOM 5852 C CA . LEU E 5 183 ? -8.550 16.775 -11.233 1.00 64.60 ? 186 LEU E CA 1 +ATOM 5853 C C . LEU E 5 183 ? -7.711 17.735 -10.444 1.00 65.29 ? 186 LEU E C 1 +ATOM 5854 O O . LEU E 5 183 ? -8.196 18.719 -9.893 1.00 62.16 ? 186 LEU E O 1 +ATOM 5855 C CB . LEU E 5 183 ? -8.756 17.314 -12.640 1.00 69.15 ? 186 LEU E CB 1 +ATOM 5856 C CG . LEU E 5 183 ? -9.684 16.411 -13.453 1.00 76.10 ? 186 LEU E CG 1 +ATOM 5857 C CD1 . LEU E 5 183 ? -9.944 17.038 -14.806 1.00 81.95 ? 186 LEU E CD1 1 +ATOM 5858 C CD2 . LEU E 5 183 ? -9.092 15.007 -13.592 1.00 79.47 ? 186 LEU E CD2 1 +ATOM 5859 N N . ASN E 5 184 ? -6.422 17.446 -10.445 1.00 70.87 ? 187 ASN E N 1 +ATOM 5860 C CA . ASN E 5 184 ? -5.431 18.251 -9.756 1.00 76.99 ? 187 ASN E CA 1 +ATOM 5861 C C . ASN E 5 184 ? -5.375 19.604 -10.445 1.00 74.14 ? 187 ASN E C 1 +ATOM 5862 O O . ASN E 5 184 ? -5.589 20.644 -9.819 1.00 73.88 ? 187 ASN E O 1 +ATOM 5863 C CB . ASN E 5 184 ? -4.065 17.572 -9.859 1.00 87.27 ? 187 ASN E CB 1 +ATOM 5864 C CG . ASN E 5 184 ? -4.136 16.087 -9.581 1.00 95.12 ? 187 ASN E CG 1 +ATOM 5865 O OD1 . ASN E 5 184 ? -4.210 15.273 -10.506 1.00 99.74 ? 187 ASN E OD1 1 +ATOM 5866 N ND2 . ASN E 5 184 ? -4.154 15.726 -8.304 1.00 100.00 ? 187 ASN E ND2 1 +ATOM 5867 N N . ASP E 5 185 ? -5.061 19.572 -11.737 1.00 70.33 ? 188 ASP E N 1 +ATOM 5868 C CA . ASP E 5 185 ? -4.983 20.779 -12.546 1.00 67.35 ? 188 ASP E CA 1 +ATOM 5869 C C . ASP E 5 185 ? -6.411 21.018 -13.007 1.00 63.26 ? 188 ASP E C 1 +ATOM 5870 O O . ASP E 5 185 ? -6.801 20.590 -14.092 1.00 71.12 ? 188 ASP E O 1 +ATOM 5871 C CB . ASP E 5 185 ? -4.063 20.549 -13.742 1.00 73.02 ? 188 ASP E CB 1 +ATOM 5872 N N . SER E 5 186 ? -7.201 21.657 -12.158 1.00 55.16 ? 189 SER E N 1 +ATOM 5873 C CA . SER E 5 186 ? -8.595 21.909 -12.474 1.00 43.45 ? 189 SER E CA 1 +ATOM 5874 C C . SER E 5 186 ? -8.792 23.342 -12.871 1.00 39.88 ? 189 SER E C 1 +ATOM 5875 O O . SER E 5 186 ? -8.040 24.214 -12.479 1.00 41.75 ? 189 SER E O 1 +ATOM 5876 C CB . SER E 5 186 ? -9.494 21.587 -11.280 1.00 41.05 ? 189 SER E CB 1 +ATOM 5877 O OG . SER E 5 186 ? -10.872 21.735 -11.597 1.00 37.47 ? 189 SER E OG 1 +ATOM 5878 N N . ARG E 5 187 ? -9.840 23.568 -13.644 1.00 42.12 ? 190 ARG E N 1 +ATOM 5879 C CA . ARG E 5 187 ? -10.192 24.893 -14.111 1.00 40.34 ? 190 ARG E CA 1 +ATOM 5880 C C . ARG E 5 187 ? -11.206 25.435 -13.101 1.00 38.51 ? 190 ARG E C 1 +ATOM 5881 O O . ARG E 5 187 ? -11.945 24.670 -12.469 1.00 40.37 ? 190 ARG E O 1 +ATOM 5882 C CB . ARG E 5 187 ? -10.796 24.822 -15.530 1.00 44.44 ? 190 ARG E CB 1 +ATOM 5883 N N . TYR E 5 188 ? -11.257 26.753 -12.980 1.00 32.83 ? 191 TYR E N 1 +ATOM 5884 C CA . TYR E 5 188 ? -12.140 27.409 -12.046 1.00 28.54 ? 191 TYR E CA 1 +ATOM 5885 C C . TYR E 5 188 ? -13.195 28.199 -12.777 1.00 30.92 ? 191 TYR E C 1 +ATOM 5886 O O . TYR E 5 188 ? -13.076 28.469 -13.974 1.00 30.70 ? 191 TYR E O 1 +ATOM 5887 C CB . TYR E 5 188 ? -11.326 28.327 -11.142 1.00 24.83 ? 191 TYR E CB 1 +ATOM 5888 C CG . TYR E 5 188 ? -10.408 27.571 -10.223 1.00 24.85 ? 191 TYR E CG 1 +ATOM 5889 C CD1 . TYR E 5 188 ? -10.859 27.129 -8.979 1.00 26.83 ? 191 TYR E CD1 1 +ATOM 5890 C CD2 . TYR E 5 188 ? -9.112 27.233 -10.616 1.00 21.89 ? 191 TYR E CD2 1 +ATOM 5891 C CE1 . TYR E 5 188 ? -10.049 26.363 -8.151 1.00 28.97 ? 191 TYR E CE1 1 +ATOM 5892 C CE2 . TYR E 5 188 ? -8.293 26.465 -9.799 1.00 25.07 ? 191 TYR E CE2 1 +ATOM 5893 C CZ . TYR E 5 188 ? -8.773 26.034 -8.562 1.00 29.25 ? 191 TYR E CZ 1 +ATOM 5894 O OH . TYR E 5 188 ? -7.979 25.292 -7.723 1.00 35.74 ? 191 TYR E OH 1 +ATOM 5895 N N . ALA E 5 189 ? -14.245 28.538 -12.047 1.00 33.73 ? 192 ALA E N 1 +ATOM 5896 C CA . ALA E 5 189 ? -15.358 29.306 -12.573 1.00 37.45 ? 192 ALA E CA 1 +ATOM 5897 C C . ALA E 5 189 ? -15.744 30.315 -11.507 1.00 38.25 ? 192 ALA E C 1 +ATOM 5898 O O . ALA E 5 189 ? -15.584 30.061 -10.317 1.00 42.58 ? 192 ALA E O 1 +ATOM 5899 C CB . ALA E 5 189 ? -16.530 28.384 -12.878 1.00 38.21 ? 192 ALA E CB 1 +ATOM 5900 N N . LEU E 5 190 ? -16.276 31.450 -11.924 1.00 37.50 ? 193 LEU E N 1 +ATOM 5901 C CA . LEU E 5 190 ? -16.670 32.485 -10.984 1.00 35.58 ? 193 LEU E CA 1 +ATOM 5902 C C . LEU E 5 190 ? -17.875 33.190 -11.554 1.00 37.31 ? 193 LEU E C 1 +ATOM 5903 O O . LEU E 5 190 ? -17.945 33.425 -12.757 1.00 44.49 ? 193 LEU E O 1 +ATOM 5904 C CB . LEU E 5 190 ? -15.548 33.504 -10.804 1.00 34.35 ? 193 LEU E CB 1 +ATOM 5905 C CG . LEU E 5 190 ? -15.787 34.613 -9.769 1.00 31.52 ? 193 LEU E CG 1 +ATOM 5906 C CD1 . LEU E 5 190 ? -15.653 34.054 -8.371 1.00 33.61 ? 193 LEU E CD1 1 +ATOM 5907 C CD2 . LEU E 5 190 ? -14.765 35.708 -9.957 1.00 34.41 ? 193 LEU E CD2 1 +ATOM 5908 N N . SER E 5 191 ? -18.828 33.514 -10.696 1.00 33.61 ? 194 SER E N 1 +ATOM 5909 C CA . SER E 5 191 ? -20.016 34.213 -11.131 1.00 32.14 ? 194 SER E CA 1 +ATOM 5910 C C . SER E 5 191 ? -20.193 35.434 -10.256 1.00 28.92 ? 194 SER E C 1 +ATOM 5911 O O . SER E 5 191 ? -19.608 35.527 -9.180 1.00 32.08 ? 194 SER E O 1 +ATOM 5912 C CB . SER E 5 191 ? -21.253 33.312 -11.084 1.00 34.96 ? 194 SER E CB 1 +ATOM 5913 O OG . SER E 5 191 ? -21.406 32.710 -9.820 1.00 44.02 ? 194 SER E OG 1 +ATOM 5914 N N . SER E 5 192 ? -20.977 36.385 -10.739 1.00 26.26 ? 195 SER E N 1 +ATOM 5915 C CA . SER E 5 192 ? -21.207 37.610 -10.016 1.00 21.80 ? 195 SER E CA 1 +ATOM 5916 C C . SER E 5 192 ? -22.517 38.182 -10.490 1.00 20.02 ? 195 SER E C 1 +ATOM 5917 O O . SER E 5 192 ? -22.957 37.901 -11.594 1.00 22.95 ? 195 SER E O 1 +ATOM 5918 C CB . SER E 5 192 ? -20.075 38.587 -10.296 1.00 26.65 ? 195 SER E CB 1 +ATOM 5919 O OG . SER E 5 192 ? -20.195 39.754 -9.505 1.00 41.43 ? 195 SER E OG 1 +ATOM 5920 N N . ARG E 5 193 ? -23.125 39.011 -9.665 1.00 18.97 ? 196 ARG E N 1 +ATOM 5921 C CA . ARG E 5 193 ? -24.388 39.596 -10.000 1.00 20.14 ? 196 ARG E CA 1 +ATOM 5922 C C . ARG E 5 193 ? -24.316 41.096 -9.912 1.00 25.33 ? 196 ARG E C 1 +ATOM 5923 O O . ARG E 5 193 ? -23.500 41.638 -9.177 1.00 26.17 ? 196 ARG E O 1 +ATOM 5924 C CB . ARG E 5 193 ? -25.469 39.085 -9.048 1.00 18.43 ? 196 ARG E CB 1 +ATOM 5925 C CG . ARG E 5 193 ? -26.215 37.870 -9.569 1.00 20.40 ? 196 ARG E CG 1 +ATOM 5926 C CD . ARG E 5 193 ? -26.004 36.644 -8.695 1.00 26.04 ? 196 ARG E CD 1 +ATOM 5927 N NE . ARG E 5 193 ? -24.651 36.112 -8.794 1.00 24.07 ? 196 ARG E NE 1 +ATOM 5928 C CZ . ARG E 5 193 ? -24.003 35.548 -7.783 1.00 30.34 ? 196 ARG E CZ 1 +ATOM 5929 N NH1 . ARG E 5 193 ? -24.583 35.430 -6.589 1.00 32.87 ? 196 ARG E NH1 1 +ATOM 5930 N NH2 . ARG E 5 193 ? -22.747 35.162 -7.945 1.00 36.68 ? 196 ARG E NH2 1 +ATOM 5931 N N . LEU E 5 194 ? -25.129 41.752 -10.735 1.00 26.70 ? 197 LEU E N 1 +ATOM 5932 C CA . LEU E 5 194 ? -25.258 43.200 -10.746 1.00 24.10 ? 197 LEU E CA 1 +ATOM 5933 C C . LEU E 5 194 ? -26.750 43.434 -10.910 1.00 22.93 ? 197 LEU E C 1 +ATOM 5934 O O . LEU E 5 194 ? -27.346 43.017 -11.902 1.00 24.58 ? 197 LEU E O 1 +ATOM 5935 C CB . LEU E 5 194 ? -24.488 43.836 -11.893 1.00 22.46 ? 197 LEU E CB 1 +ATOM 5936 C CG . LEU E 5 194 ? -24.678 45.354 -11.961 1.00 27.21 ? 197 LEU E CG 1 +ATOM 5937 C CD1 . LEU E 5 194 ? -24.256 46.007 -10.655 1.00 26.15 ? 197 LEU E CD1 1 +ATOM 5938 C CD2 . LEU E 5 194 ? -23.880 45.931 -13.123 1.00 30.24 ? 197 LEU E CD2 1 +ATOM 5939 N N . ARG E 5 195 ? -27.369 43.976 -9.872 1.00 25.52 ? 198 ARG E N 1 +ATOM 5940 C CA . ARG E 5 195 ? -28.798 44.239 -9.899 1.00 28.44 ? 198 ARG E CA 1 +ATOM 5941 C C . ARG E 5 195 ? -29.015 45.732 -10.046 1.00 30.53 ? 198 ARG E C 1 +ATOM 5942 O O . ARG E 5 195 ? -28.384 46.544 -9.367 1.00 28.74 ? 198 ARG E O 1 +ATOM 5943 C CB . ARG E 5 195 ? -29.467 43.741 -8.616 1.00 29.37 ? 198 ARG E CB 1 +ATOM 5944 C CG . ARG E 5 195 ? -30.998 43.762 -8.628 1.00 28.61 ? 198 ARG E CG 1 +ATOM 5945 C CD . ARG E 5 195 ? -31.602 42.348 -8.662 1.00 32.86 ? 198 ARG E CD 1 +ATOM 5946 N NE . ARG E 5 195 ? -32.472 42.065 -7.508 1.00 39.44 ? 198 ARG E NE 1 +ATOM 5947 C CZ . ARG E 5 195 ? -33.571 41.310 -7.536 1.00 35.07 ? 198 ARG E CZ 1 +ATOM 5948 N NH1 . ARG E 5 195 ? -33.988 40.730 -8.649 1.00 38.71 ? 198 ARG E NH1 1 +ATOM 5949 N NH2 . ARG E 5 195 ? -34.287 41.169 -6.448 1.00 41.58 ? 198 ARG E NH2 1 +ATOM 5950 N N . VAL E 5 196 ? -29.898 46.087 -10.963 1.00 29.04 ? 199 VAL E N 1 +ATOM 5951 C CA . VAL E 5 196 ? -30.224 47.476 -11.216 1.00 27.71 ? 199 VAL E CA 1 +ATOM 5952 C C . VAL E 5 196 ? -31.736 47.482 -11.316 1.00 31.55 ? 199 VAL E C 1 +ATOM 5953 O O . VAL E 5 196 ? -32.363 46.424 -11.240 1.00 30.87 ? 199 VAL E O 1 +ATOM 5954 C CB . VAL E 5 196 ? -29.597 47.974 -12.544 1.00 26.40 ? 199 VAL E CB 1 +ATOM 5955 C CG1 . VAL E 5 196 ? -28.083 48.080 -12.408 1.00 18.93 ? 199 VAL E CG1 1 +ATOM 5956 C CG2 . VAL E 5 196 ? -29.926 47.021 -13.672 1.00 23.57 ? 199 VAL E CG2 1 +ATOM 5957 N N . SER E 5 197 ? -32.332 48.660 -11.429 1.00 33.67 ? 200 SER E N 1 +ATOM 5958 C CA . SER E 5 197 ? -33.776 48.741 -11.553 1.00 33.19 ? 200 SER E CA 1 +ATOM 5959 C C . SER E 5 197 ? -34.115 48.396 -13.003 1.00 35.54 ? 200 SER E C 1 +ATOM 5960 O O . SER E 5 197 ? -33.242 48.478 -13.875 1.00 39.85 ? 200 SER E O 1 +ATOM 5961 C CB . SER E 5 197 ? -34.248 50.155 -11.199 1.00 37.05 ? 200 SER E CB 1 +ATOM 5962 O OG . SER E 5 197 ? -33.464 51.145 -11.856 1.00 52.55 ? 200 SER E OG 1 +ATOM 5963 N N . ALA E 5 198 ? -35.359 47.991 -13.261 1.00 34.81 ? 201 ALA E N 1 +ATOM 5964 C CA . ALA E 5 198 ? -35.801 47.652 -14.615 1.00 31.22 ? 201 ALA E CA 1 +ATOM 5965 C C . ALA E 5 198 ? -35.640 48.896 -15.472 1.00 32.44 ? 201 ALA E C 1 +ATOM 5966 O O . ALA E 5 198 ? -35.156 48.842 -16.594 1.00 37.99 ? 201 ALA E O 1 +ATOM 5967 C CB . ALA E 5 198 ? -37.247 47.210 -14.602 1.00 29.94 ? 201 ALA E CB 1 +ATOM 5968 N N . THR E 5 199 ? -36.044 50.020 -14.906 1.00 38.28 ? 202 THR E N 1 +ATOM 5969 C CA . THR E 5 199 ? -35.941 51.322 -15.540 1.00 42.37 ? 202 THR E CA 1 +ATOM 5970 C C . THR E 5 199 ? -34.542 51.539 -16.106 1.00 43.35 ? 202 THR E C 1 +ATOM 5971 O O . THR E 5 199 ? -34.381 51.947 -17.256 1.00 50.81 ? 202 THR E O 1 +ATOM 5972 C CB . THR E 5 199 ? -36.210 52.414 -14.495 1.00 43.87 ? 202 THR E CB 1 +ATOM 5973 O OG1 . THR E 5 199 ? -37.616 52.527 -14.283 1.00 49.48 ? 202 THR E OG1 1 +ATOM 5974 C CG2 . THR E 5 199 ? -35.620 53.748 -14.904 1.00 45.96 ? 202 THR E CG2 1 +ATOM 5975 N N . PHE E 5 200 ? -33.538 51.232 -15.297 1.00 40.00 ? 203 PHE E N 1 +ATOM 5976 C CA . PHE E 5 200 ? -32.152 51.421 -15.680 1.00 34.91 ? 203 PHE E CA 1 +ATOM 5977 C C . PHE E 5 200 ? -31.689 50.490 -16.788 1.00 34.25 ? 203 PHE E C 1 +ATOM 5978 O O . PHE E 5 200 ? -30.891 50.885 -17.645 1.00 35.13 ? 203 PHE E O 1 +ATOM 5979 C CB . PHE E 5 200 ? -31.267 51.255 -14.454 1.00 31.85 ? 203 PHE E CB 1 +ATOM 5980 C CG . PHE E 5 200 ? -29.889 51.805 -14.626 1.00 34.22 ? 203 PHE E CG 1 +ATOM 5981 C CD1 . PHE E 5 200 ? -28.886 51.038 -15.216 1.00 33.65 ? 203 PHE E CD1 1 +ATOM 5982 C CD2 . PHE E 5 200 ? -29.582 53.088 -14.184 1.00 32.38 ? 203 PHE E CD2 1 +ATOM 5983 C CE1 . PHE E 5 200 ? -27.591 51.543 -15.367 1.00 37.13 ? 203 PHE E CE1 1 +ATOM 5984 C CE2 . PHE E 5 200 ? -28.290 53.603 -14.329 1.00 35.98 ? 203 PHE E CE2 1 +ATOM 5985 C CZ . PHE E 5 200 ? -27.292 52.826 -14.921 1.00 32.94 ? 203 PHE E CZ 1 +ATOM 5986 N N . TRP E 5 201 ? -32.177 49.256 -16.766 1.00 32.31 ? 204 TRP E N 1 +ATOM 5987 C CA . TRP E 5 201 ? -31.791 48.269 -17.767 1.00 30.34 ? 204 TRP E CA 1 +ATOM 5988 C C . TRP E 5 201 ? -32.470 48.552 -19.096 1.00 30.84 ? 204 TRP E C 1 +ATOM 5989 O O . TRP E 5 201 ? -31.868 48.394 -20.158 1.00 32.33 ? 204 TRP E O 1 +ATOM 5990 C CB . TRP E 5 201 ? -32.115 46.856 -17.268 1.00 22.11 ? 204 TRP E CB 1 +ATOM 5991 C CG . TRP E 5 201 ? -32.192 45.840 -18.342 1.00 24.56 ? 204 TRP E CG 1 +ATOM 5992 C CD1 . TRP E 5 201 ? -33.333 45.257 -18.841 1.00 27.25 ? 204 TRP E CD1 1 +ATOM 5993 C CD2 . TRP E 5 201 ? -31.103 45.296 -19.097 1.00 21.52 ? 204 TRP E CD2 1 +ATOM 5994 N NE1 . TRP E 5 201 ? -33.017 44.389 -19.868 1.00 23.72 ? 204 TRP E NE1 1 +ATOM 5995 C CE2 . TRP E 5 201 ? -31.657 44.390 -20.044 1.00 20.00 ? 204 TRP E CE2 1 +ATOM 5996 C CE3 . TRP E 5 201 ? -29.717 45.485 -19.074 1.00 22.12 ? 204 TRP E CE3 1 +ATOM 5997 C CZ2 . TRP E 5 201 ? -30.868 43.676 -20.954 1.00 14.66 ? 204 TRP E CZ2 1 +ATOM 5998 C CZ3 . TRP E 5 201 ? -28.930 44.773 -19.988 1.00 17.34 ? 204 TRP E CZ3 1 +ATOM 5999 C CH2 . TRP E 5 201 ? -29.511 43.882 -20.911 1.00 13.16 ? 204 TRP E CH2 1 +ATOM 6000 N N . GLN E 5 202 ? -33.713 49.012 -19.026 1.00 34.11 ? 205 GLN E N 1 +ATOM 6001 C CA . GLN E 5 202 ? -34.493 49.319 -20.216 1.00 38.84 ? 205 GLN E CA 1 +ATOM 6002 C C . GLN E 5 202 ? -34.066 50.609 -20.946 1.00 43.20 ? 205 GLN E C 1 +ATOM 6003 O O . GLN E 5 202 ? -34.697 51.018 -21.928 1.00 44.25 ? 205 GLN E O 1 +ATOM 6004 C CB . GLN E 5 202 ? -35.967 49.401 -19.846 1.00 40.72 ? 205 GLN E CB 1 +ATOM 6005 C CG . GLN E 5 202 ? -36.548 48.137 -19.255 1.00 38.39 ? 205 GLN E CG 1 +ATOM 6006 C CD . GLN E 5 202 ? -37.944 48.365 -18.705 1.00 42.62 ? 205 GLN E CD 1 +ATOM 6007 O OE1 . GLN E 5 202 ? -38.480 49.478 -18.765 1.00 44.01 ? 205 GLN E OE1 1 +ATOM 6008 N NE2 . GLN E 5 202 ? -38.542 47.314 -18.161 1.00 41.65 ? 205 GLN E NE2 1 +ATOM 6009 N N . ASP E 5 203 ? -33.016 51.261 -20.458 1.00 47.86 ? 206 ASP E N 1 +ATOM 6010 C CA . ASP E 5 203 ? -32.513 52.492 -21.071 1.00 48.86 ? 206 ASP E CA 1 +ATOM 6011 C C . ASP E 5 203 ? -31.305 52.113 -21.952 1.00 45.19 ? 206 ASP E C 1 +ATOM 6012 O O . ASP E 5 203 ? -30.200 51.893 -21.450 1.00 45.74 ? 206 ASP E O 1 +ATOM 6013 C CB . ASP E 5 203 ? -32.108 53.483 -19.974 1.00 50.57 ? 206 ASP E CB 1 +ATOM 6014 C CG . ASP E 5 203 ? -32.173 54.936 -20.428 1.00 56.89 ? 206 ASP E CG 1 +ATOM 6015 O OD1 . ASP E 5 203 ? -32.192 55.210 -21.650 1.00 64.80 ? 206 ASP E OD1 1 +ATOM 6016 O OD2 . ASP E 5 203 ? -32.195 55.815 -19.542 1.00 62.15 ? 206 ASP E OD2 1 +ATOM 6017 N N . PRO E 5 204 ? -31.482 52.118 -23.282 1.00 41.60 ? 207 PRO E N 1 +ATOM 6018 C CA . PRO E 5 204 ? -30.432 51.765 -24.250 1.00 42.10 ? 207 PRO E CA 1 +ATOM 6019 C C . PRO E 5 204 ? -29.114 52.535 -24.124 1.00 41.30 ? 207 PRO E C 1 +ATOM 6020 O O . PRO E 5 204 ? -28.095 52.151 -24.719 1.00 40.77 ? 207 PRO E O 1 +ATOM 6021 C CB . PRO E 5 204 ? -31.115 52.009 -25.596 1.00 44.41 ? 207 PRO E CB 1 +ATOM 6022 C CG . PRO E 5 204 ? -32.581 51.843 -25.281 1.00 40.61 ? 207 PRO E CG 1 +ATOM 6023 C CD . PRO E 5 204 ? -32.691 52.581 -23.982 1.00 38.36 ? 207 PRO E CD 1 +ATOM 6024 N N . ARG E 5 205 ? -29.156 53.627 -23.367 1.00 39.13 ? 208 ARG E N 1 +ATOM 6025 C CA . ARG E 5 205 ? -27.989 54.467 -23.130 1.00 44.38 ? 208 ARG E CA 1 +ATOM 6026 C C . ARG E 5 205 ? -27.002 53.818 -22.175 1.00 43.01 ? 208 ARG E C 1 +ATOM 6027 O O . ARG E 5 205 ? -25.841 54.211 -22.124 1.00 46.64 ? 208 ARG E O 1 +ATOM 6028 C CB . ARG E 5 205 ? -28.408 55.804 -22.516 1.00 43.12 ? 208 ARG E CB 1 +ATOM 6029 C CG . ARG E 5 205 ? -29.148 56.720 -23.440 1.00 41.22 ? 208 ARG E CG 1 +ATOM 6030 C CD . ARG E 5 205 ? -29.581 57.937 -22.691 1.00 43.62 ? 208 ARG E CD 1 +ATOM 6031 N NE . ARG E 5 205 ? -31.017 58.123 -22.818 1.00 52.36 ? 208 ARG E NE 1 +ATOM 6032 C CZ . ARG E 5 205 ? -31.693 59.124 -22.276 1.00 52.86 ? 208 ARG E CZ 1 +ATOM 6033 N NH1 . ARG E 5 205 ? -31.071 60.041 -21.547 1.00 46.90 ? 208 ARG E NH1 1 +ATOM 6034 N NH2 . ARG E 5 205 ? -32.990 59.237 -22.525 1.00 61.60 ? 208 ARG E NH2 1 +ATOM 6035 N N . ASN E 5 206 ? -27.485 52.874 -21.375 1.00 38.95 ? 209 ASN E N 1 +ATOM 6036 C CA . ASN E 5 206 ? -26.639 52.212 -20.402 1.00 32.04 ? 209 ASN E CA 1 +ATOM 6037 C C . ASN E 5 206 ? -25.965 50.972 -20.947 1.00 28.21 ? 209 ASN E C 1 +ATOM 6038 O O . ASN E 5 206 ? -26.602 50.103 -21.543 1.00 27.76 ? 209 ASN E O 1 +ATOM 6039 C CB . ASN E 5 206 ? -27.438 51.904 -19.140 1.00 37.06 ? 209 ASN E CB 1 +ATOM 6040 C CG . ASN E 5 206 ? -27.935 53.164 -18.449 1.00 36.23 ? 209 ASN E CG 1 +ATOM 6041 O OD1 . ASN E 5 206 ? -27.161 54.092 -18.165 1.00 35.67 ? 209 ASN E OD1 1 +ATOM 6042 N ND2 . ASN E 5 206 ? -29.230 53.208 -18.179 1.00 28.46 ? 209 ASN E ND2 1 +ATOM 6043 N N . HIS E 5 207 ? -24.659 50.906 -20.733 1.00 24.68 ? 210 HIS E N 1 +ATOM 6044 C CA . HIS E 5 207 ? -23.824 49.812 -21.197 1.00 24.28 ? 210 HIS E CA 1 +ATOM 6045 C C . HIS E 5 207 ? -23.269 49.177 -19.934 1.00 25.32 ? 210 HIS E C 1 +ATOM 6046 O O . HIS E 5 207 ? -22.764 49.874 -19.051 1.00 23.34 ? 210 HIS E O 1 +ATOM 6047 C CB . HIS E 5 207 ? -22.697 50.398 -22.075 1.00 25.68 ? 210 HIS E CB 1 +ATOM 6048 C CG . HIS E 5 207 ? -21.698 49.398 -22.583 1.00 24.37 ? 210 HIS E CG 1 +ATOM 6049 N ND1 . HIS E 5 207 ? -20.356 49.463 -22.269 1.00 29.16 ? 210 HIS E ND1 1 +ATOM 6050 C CD2 . HIS E 5 207 ? -21.831 48.349 -23.431 1.00 23.91 ? 210 HIS E CD2 1 +ATOM 6051 C CE1 . HIS E 5 207 ? -19.705 48.502 -22.901 1.00 26.81 ? 210 HIS E CE1 1 +ATOM 6052 N NE2 . HIS E 5 207 ? -20.578 47.812 -23.615 1.00 27.53 ? 210 HIS E NE2 1 +ATOM 6053 N N . PHE E 5 208 ? -23.395 47.861 -19.841 1.00 24.94 ? 211 PHE E N 1 +ATOM 6054 C CA . PHE E 5 208 ? -22.920 47.126 -18.677 1.00 24.22 ? 211 PHE E CA 1 +ATOM 6055 C C . PHE E 5 208 ? -21.784 46.229 -19.120 1.00 26.66 ? 211 PHE E C 1 +ATOM 6056 O O . PHE E 5 208 ? -21.853 45.600 -20.179 1.00 19.47 ? 211 PHE E O 1 +ATOM 6057 C CB . PHE E 5 208 ? -24.053 46.296 -18.085 1.00 20.34 ? 211 PHE E CB 1 +ATOM 6058 C CG . PHE E 5 208 ? -25.344 47.054 -17.950 1.00 19.11 ? 211 PHE E CG 1 +ATOM 6059 C CD1 . PHE E 5 208 ? -26.192 47.210 -19.042 1.00 21.19 ? 211 PHE E CD1 1 +ATOM 6060 C CD2 . PHE E 5 208 ? -25.697 47.642 -16.747 1.00 13.95 ? 211 PHE E CD2 1 +ATOM 6061 C CE1 . PHE E 5 208 ? -27.371 47.949 -18.927 1.00 22.86 ? 211 PHE E CE1 1 +ATOM 6062 C CE2 . PHE E 5 208 ? -26.875 48.380 -16.624 1.00 12.91 ? 211 PHE E CE2 1 +ATOM 6063 C CZ . PHE E 5 208 ? -27.709 48.536 -17.710 1.00 17.35 ? 211 PHE E CZ 1 +ATOM 6064 N N . ARG E 5 209 ? -20.739 46.164 -18.305 1.00 28.52 ? 212 ARG E N 1 +ATOM 6065 C CA . ARG E 5 209 ? -19.589 45.365 -18.652 1.00 27.38 ? 212 ARG E CA 1 +ATOM 6066 C C . ARG E 5 209 ? -18.942 44.651 -17.501 1.00 25.24 ? 212 ARG E C 1 +ATOM 6067 O O . ARG E 5 209 ? -18.438 45.267 -16.581 1.00 26.88 ? 212 ARG E O 1 +ATOM 6068 C CB . ARG E 5 209 ? -18.534 46.224 -19.332 1.00 29.35 ? 212 ARG E CB 1 +ATOM 6069 C CG . ARG E 5 209 ? -17.316 45.430 -19.745 1.00 26.65 ? 212 ARG E CG 1 +ATOM 6070 C CD . ARG E 5 209 ? -16.331 46.298 -20.470 1.00 27.39 ? 212 ARG E CD 1 +ATOM 6071 N NE . ARG E 5 209 ? -15.062 46.349 -19.763 1.00 27.70 ? 212 ARG E NE 1 +ATOM 6072 C CZ . ARG E 5 209 ? -14.539 47.463 -19.273 1.00 27.99 ? 212 ARG E CZ 1 +ATOM 6073 N NH1 . ARG E 5 209 ? -15.179 48.613 -19.431 1.00 24.47 ? 212 ARG E NH1 1 +ATOM 6074 N NH2 . ARG E 5 209 ? -13.404 47.415 -18.591 1.00 29.20 ? 212 ARG E NH2 1 +ATOM 6075 N N . CYS E 5 210 ? -18.900 43.336 -17.615 1.00 25.75 ? 213 CYS E N 1 +ATOM 6076 C CA . CYS E 5 210 ? -18.273 42.507 -16.623 1.00 29.15 ? 213 CYS E CA 1 +ATOM 6077 C C . CYS E 5 210 ? -16.848 42.334 -17.058 1.00 28.16 ? 213 CYS E C 1 +ATOM 6078 O O . CYS E 5 210 ? -16.595 41.824 -18.140 1.00 37.13 ? 213 CYS E O 1 +ATOM 6079 C CB . CYS E 5 210 ? -18.891 41.127 -16.567 1.00 30.85 ? 213 CYS E CB 1 +ATOM 6080 S SG . CYS E 5 210 ? -17.846 40.075 -15.526 1.00 45.75 ? 213 CYS E SG 1 +ATOM 6081 N N . GLN E 5 211 ? -15.920 42.738 -16.211 1.00 31.44 ? 214 GLN E N 1 +ATOM 6082 C CA . GLN E 5 211 ? -14.501 42.628 -16.510 1.00 29.38 ? 214 GLN E CA 1 +ATOM 6083 C C . GLN E 5 211 ? -13.855 41.650 -15.537 1.00 31.69 ? 214 GLN E C 1 +ATOM 6084 O O . GLN E 5 211 ? -14.170 41.656 -14.343 1.00 39.35 ? 214 GLN E O 1 +ATOM 6085 C CB . GLN E 5 211 ? -13.837 43.993 -16.358 1.00 22.82 ? 214 GLN E CB 1 +ATOM 6086 C CG . GLN E 5 211 ? -12.360 43.912 -16.325 1.00 18.36 ? 214 GLN E CG 1 +ATOM 6087 C CD . GLN E 5 211 ? -11.734 45.227 -15.999 1.00 30.13 ? 214 GLN E CD 1 +ATOM 6088 O OE1 . GLN E 5 211 ? -11.962 46.228 -16.677 1.00 30.29 ? 214 GLN E OE1 1 +ATOM 6089 N NE2 . GLN E 5 211 ? -10.930 45.243 -14.946 1.00 38.29 ? 214 GLN E NE2 1 +ATOM 6090 N N . VAL E 5 212 ? -12.940 40.826 -16.023 1.00 22.15 ? 215 VAL E N 1 +ATOM 6091 C CA . VAL E 5 212 ? -12.285 39.885 -15.139 1.00 19.72 ? 215 VAL E CA 1 +ATOM 6092 C C . VAL E 5 212 ? -10.814 39.959 -15.412 1.00 21.79 ? 215 VAL E C 1 +ATOM 6093 O O . VAL E 5 212 ? -10.401 39.817 -16.558 1.00 29.99 ? 215 VAL E O 1 +ATOM 6094 C CB . VAL E 5 212 ? -12.776 38.453 -15.385 1.00 18.46 ? 215 VAL E CB 1 +ATOM 6095 C CG1 . VAL E 5 212 ? -11.912 37.465 -14.650 1.00 11.56 ? 215 VAL E CG1 1 +ATOM 6096 C CG2 . VAL E 5 212 ? -14.206 38.322 -14.922 1.00 20.49 ? 215 VAL E CG2 1 +ATOM 6097 N N . GLN E 5 213 ? -10.016 40.297 -14.405 1.00 23.48 ? 216 GLN E N 1 +ATOM 6098 C CA . GLN E 5 213 ? -8.594 40.347 -14.656 1.00 18.95 ? 216 GLN E CA 1 +ATOM 6099 C C . GLN E 5 213 ? -7.948 39.070 -14.227 1.00 19.57 ? 216 GLN E C 1 +ATOM 6100 O O . GLN E 5 213 ? -8.108 38.634 -13.101 1.00 28.33 ? 216 GLN E O 1 +ATOM 6101 C CB . GLN E 5 213 ? -7.894 41.520 -14.018 1.00 17.92 ? 216 GLN E CB 1 +ATOM 6102 C CG . GLN E 5 213 ? -6.400 41.370 -14.259 1.00 28.94 ? 216 GLN E CG 1 +ATOM 6103 C CD . GLN E 5 213 ? -5.687 42.646 -14.578 1.00 31.19 ? 216 GLN E CD 1 +ATOM 6104 O OE1 . GLN E 5 213 ? -4.594 42.614 -15.143 1.00 41.87 ? 216 GLN E OE1 1 +ATOM 6105 N NE2 . GLN E 5 213 ? -6.261 43.780 -14.174 1.00 39.83 ? 216 GLN E NE2 1 +ATOM 6106 N N . PHE E 5 214 ? -7.234 38.474 -15.167 1.00 23.25 ? 217 PHE E N 1 +ATOM 6107 C CA . PHE E 5 214 ? -6.551 37.216 -14.982 1.00 20.42 ? 217 PHE E CA 1 +ATOM 6108 C C . PHE E 5 214 ? -5.068 37.444 -14.779 1.00 22.24 ? 217 PHE E C 1 +ATOM 6109 O O . PHE E 5 214 ? -4.456 38.287 -15.437 1.00 27.26 ? 217 PHE E O 1 +ATOM 6110 C CB . PHE E 5 214 ? -6.797 36.350 -16.220 1.00 25.71 ? 217 PHE E CB 1 +ATOM 6111 C CG . PHE E 5 214 ? -5.985 35.113 -16.260 1.00 23.24 ? 217 PHE E CG 1 +ATOM 6112 C CD1 . PHE E 5 214 ? -6.341 34.012 -15.488 1.00 24.98 ? 217 PHE E CD1 1 +ATOM 6113 C CD2 . PHE E 5 214 ? -4.833 35.059 -17.032 1.00 21.78 ? 217 PHE E CD2 1 +ATOM 6114 C CE1 . PHE E 5 214 ? -5.552 32.863 -15.481 1.00 28.62 ? 217 PHE E CE1 1 +ATOM 6115 C CE2 . PHE E 5 214 ? -4.037 33.919 -17.036 1.00 28.64 ? 217 PHE E CE2 1 +ATOM 6116 C CZ . PHE E 5 214 ? -4.393 32.816 -16.256 1.00 26.23 ? 217 PHE E CZ 1 +ATOM 6117 N N . TYR E 5 215 ? -4.499 36.718 -13.831 1.00 23.73 ? 218 TYR E N 1 +ATOM 6118 C CA . TYR E 5 215 ? -3.085 36.839 -13.545 1.00 24.77 ? 218 TYR E CA 1 +ATOM 6119 C C . TYR E 5 215 ? -2.460 35.528 -13.980 1.00 26.52 ? 218 TYR E C 1 +ATOM 6120 O O . TYR E 5 215 ? -2.729 34.477 -13.395 1.00 31.25 ? 218 TYR E O 1 +ATOM 6121 C CB . TYR E 5 215 ? -2.863 37.123 -12.050 1.00 24.94 ? 218 TYR E CB 1 +ATOM 6122 C CG . TYR E 5 215 ? -3.321 38.510 -11.609 1.00 17.17 ? 218 TYR E CG 1 +ATOM 6123 C CD1 . TYR E 5 215 ? -4.658 38.767 -11.294 1.00 15.28 ? 218 TYR E CD1 1 +ATOM 6124 C CD2 . TYR E 5 215 ? -2.415 39.565 -11.537 1.00 18.42 ? 218 TYR E CD2 1 +ATOM 6125 C CE1 . TYR E 5 215 ? -5.077 40.035 -10.918 1.00 17.77 ? 218 TYR E CE1 1 +ATOM 6126 C CE2 . TYR E 5 215 ? -2.821 40.836 -11.162 1.00 18.14 ? 218 TYR E CE2 1 +ATOM 6127 C CZ . TYR E 5 215 ? -4.149 41.064 -10.855 1.00 20.13 ? 218 TYR E CZ 1 +ATOM 6128 O OH . TYR E 5 215 ? -4.527 42.327 -10.466 1.00 26.11 ? 218 TYR E OH 1 +ATOM 6129 N N . GLY E 5 216 ? -1.632 35.603 -15.015 1.00 23.18 ? 219 GLY E N 1 +ATOM 6130 C CA . GLY E 5 216 ? -1.013 34.414 -15.562 1.00 24.76 ? 219 GLY E CA 1 +ATOM 6131 C C . GLY E 5 216 ? 0.475 34.543 -15.765 1.00 27.04 ? 219 GLY E C 1 +ATOM 6132 O O . GLY E 5 216 ? 1.159 35.028 -14.866 1.00 34.67 ? 219 GLY E O 1 +ATOM 6133 N N . LEU E 5 217 ? 0.974 34.135 -16.935 1.00 26.69 ? 220 LEU E N 1 +ATOM 6134 C CA . LEU E 5 217 ? 2.415 34.185 -17.223 1.00 25.70 ? 220 LEU E CA 1 +ATOM 6135 C C . LEU E 5 217 ? 2.978 35.581 -17.474 1.00 27.34 ? 220 LEU E C 1 +ATOM 6136 O O . LEU E 5 217 ? 2.256 36.521 -17.836 1.00 25.83 ? 220 LEU E O 1 +ATOM 6137 C CB . LEU E 5 217 ? 2.797 33.268 -18.379 1.00 18.57 ? 220 LEU E CB 1 +ATOM 6138 C CG . LEU E 5 217 ? 2.213 31.865 -18.430 1.00 21.08 ? 220 LEU E CG 1 +ATOM 6139 C CD1 . LEU E 5 217 ? 2.998 31.093 -19.475 1.00 20.87 ? 220 LEU E CD1 1 +ATOM 6140 C CD2 . LEU E 5 217 ? 2.310 31.187 -17.086 1.00 16.99 ? 220 LEU E CD2 1 +ATOM 6141 N N . SER E 5 218 ? 4.289 35.688 -17.306 1.00 33.19 ? 221 SER E N 1 +ATOM 6142 C CA . SER E 5 218 ? 4.987 36.948 -17.456 1.00 42.91 ? 221 SER E CA 1 +ATOM 6143 C C . SER E 5 218 ? 5.617 37.115 -18.815 1.00 48.69 ? 221 SER E C 1 +ATOM 6144 O O . SER E 5 218 ? 5.709 36.174 -19.610 1.00 43.97 ? 221 SER E O 1 +ATOM 6145 C CB . SER E 5 218 ? 6.079 37.089 -16.379 1.00 47.94 ? 221 SER E CB 1 +ATOM 6146 O OG . SER E 5 218 ? 7.169 36.208 -16.613 1.00 51.70 ? 221 SER E OG 1 +ATOM 6147 N N . GLU E 5 219 ? 6.151 38.313 -19.011 1.00 57.69 ? 222 GLU E N 1 +ATOM 6148 C CA . GLU E 5 219 ? 6.819 38.685 -20.246 1.00 65.30 ? 222 GLU E CA 1 +ATOM 6149 C C . GLU E 5 219 ? 8.147 37.929 -20.383 1.00 70.12 ? 222 GLU E C 1 +ATOM 6150 O O . GLU E 5 219 ? 8.835 38.059 -21.391 1.00 75.96 ? 222 GLU E O 1 +ATOM 6151 C CB . GLU E 5 219 ? 7.049 40.204 -20.281 1.00 62.47 ? 222 GLU E CB 1 +ATOM 6152 N N . ASN E 5 220 ? 8.512 37.156 -19.362 1.00 73.13 ? 223 ASN E N 1 +ATOM 6153 C CA . ASN E 5 220 ? 9.753 36.393 -19.397 1.00 74.60 ? 223 ASN E CA 1 +ATOM 6154 C C . ASN E 5 220 ? 9.515 34.884 -19.327 1.00 73.28 ? 223 ASN E C 1 +ATOM 6155 O O . ASN E 5 220 ? 10.399 34.103 -19.679 1.00 73.09 ? 223 ASN E O 1 +ATOM 6156 C CB . ASN E 5 220 ? 10.698 36.842 -18.265 1.00 74.75 ? 223 ASN E CB 1 +ATOM 6157 N N . ASP E 5 221 ? 8.339 34.467 -18.861 1.00 71.64 ? 224 ASP E N 1 +ATOM 6158 C CA . ASP E 5 221 ? 8.053 33.037 -18.768 1.00 69.71 ? 224 ASP E CA 1 +ATOM 6159 C C . ASP E 5 221 ? 8.145 32.419 -20.157 1.00 67.48 ? 224 ASP E C 1 +ATOM 6160 O O . ASP E 5 221 ? 7.709 33.016 -21.140 1.00 66.37 ? 224 ASP E O 1 +ATOM 6161 C CB . ASP E 5 221 ? 6.673 32.781 -18.145 1.00 69.10 ? 224 ASP E CB 1 +ATOM 6162 C CG . ASP E 5 221 ? 6.764 32.319 -16.694 1.00 70.64 ? 224 ASP E CG 1 +ATOM 6163 O OD1 . ASP E 5 221 ? 7.119 31.137 -16.471 1.00 65.37 ? 224 ASP E OD1 1 +ATOM 6164 O OD2 . ASP E 5 221 ? 6.481 33.132 -15.781 1.00 75.02 ? 224 ASP E OD2 1 +ATOM 6165 N N . GLU E 5 222 ? 8.745 31.237 -20.240 1.00 66.09 ? 225 GLU E N 1 +ATOM 6166 C CA . GLU E 5 222 ? 8.907 30.556 -21.524 1.00 61.81 ? 225 GLU E CA 1 +ATOM 6167 C C . GLU E 5 222 ? 7.617 29.901 -21.988 1.00 56.69 ? 225 GLU E C 1 +ATOM 6168 O O . GLU E 5 222 ? 6.889 29.298 -21.198 1.00 53.66 ? 225 GLU E O 1 +ATOM 6169 C CB . GLU E 5 222 ? 10.031 29.519 -21.447 1.00 64.25 ? 225 GLU E CB 1 +ATOM 6170 N N . TRP E 5 223 ? 7.354 30.002 -23.281 1.00 49.63 ? 226 TRP E N 1 +ATOM 6171 C CA . TRP E 5 223 ? 6.153 29.422 -23.850 1.00 50.75 ? 226 TRP E CA 1 +ATOM 6172 C C . TRP E 5 223 ? 6.388 29.021 -25.304 1.00 58.30 ? 226 TRP E C 1 +ATOM 6173 O O . TRP E 5 223 ? 6.334 29.857 -26.214 1.00 58.44 ? 226 TRP E O 1 +ATOM 6174 C CB . TRP E 5 223 ? 5.015 30.431 -23.759 1.00 44.02 ? 226 TRP E CB 1 +ATOM 6175 C CG . TRP E 5 223 ? 3.692 29.892 -24.187 1.00 42.15 ? 226 TRP E CG 1 +ATOM 6176 C CD1 . TRP E 5 223 ? 3.069 30.106 -25.384 1.00 43.61 ? 226 TRP E CD1 1 +ATOM 6177 C CD2 . TRP E 5 223 ? 2.800 29.092 -23.413 1.00 38.57 ? 226 TRP E CD2 1 +ATOM 6178 N NE1 . TRP E 5 223 ? 1.840 29.496 -25.393 1.00 37.78 ? 226 TRP E NE1 1 +ATOM 6179 C CE2 . TRP E 5 223 ? 1.646 28.869 -24.194 1.00 38.97 ? 226 TRP E CE2 1 +ATOM 6180 C CE3 . TRP E 5 223 ? 2.860 28.543 -22.129 1.00 34.63 ? 226 TRP E CE3 1 +ATOM 6181 C CZ2 . TRP E 5 223 ? 0.564 28.127 -23.731 1.00 39.06 ? 226 TRP E CZ2 1 +ATOM 6182 C CZ3 . TRP E 5 223 ? 1.784 27.805 -21.673 1.00 38.36 ? 226 TRP E CZ3 1 +ATOM 6183 C CH2 . TRP E 5 223 ? 0.650 27.604 -22.471 1.00 35.21 ? 226 TRP E CH2 1 +ATOM 6184 N N . THR E 5 224 ? 6.627 27.737 -25.537 1.00 62.37 ? 227 THR E N 1 +ATOM 6185 C CA . THR E 5 224 ? 6.877 27.279 -26.899 1.00 67.59 ? 227 THR E CA 1 +ATOM 6186 C C . THR E 5 224 ? 5.654 26.621 -27.529 1.00 67.46 ? 227 THR E C 1 +ATOM 6187 O O . THR E 5 224 ? 5.787 25.737 -28.378 1.00 67.39 ? 227 THR E O 1 +ATOM 6188 C CB . THR E 5 224 ? 8.075 26.326 -26.917 1.00 69.14 ? 227 THR E CB 1 +ATOM 6189 N N . GLN E 5 225 ? 4.462 27.082 -27.162 1.00 63.83 ? 228 GLN E N 1 +ATOM 6190 C CA . GLN E 5 225 ? 3.260 26.471 -27.704 1.00 63.45 ? 228 GLN E CA 1 +ATOM 6191 C C . GLN E 5 225 ? 2.434 27.277 -28.672 1.00 62.95 ? 228 GLN E C 1 +ATOM 6192 O O . GLN E 5 225 ? 2.492 28.501 -28.691 1.00 65.43 ? 228 GLN E O 1 +ATOM 6193 C CB . GLN E 5 225 ? 2.376 25.901 -26.609 1.00 60.95 ? 228 GLN E CB 1 +ATOM 6194 C CG . GLN E 5 225 ? 2.878 24.582 -26.105 1.00 64.64 ? 228 GLN E CG 1 +ATOM 6195 C CD . GLN E 5 225 ? 3.513 24.700 -24.753 1.00 74.18 ? 228 GLN E CD 1 +ATOM 6196 O OE1 . GLN E 5 225 ? 2.840 24.986 -23.769 1.00 81.73 ? 228 GLN E OE1 1 +ATOM 6197 N NE2 . GLN E 5 225 ? 4.814 24.478 -24.684 1.00 77.88 ? 228 GLN E NE2 1 +ATOM 6198 N N . ASP E 5 226 ? 1.642 26.543 -29.451 1.00 63.67 ? 229 ASP E N 1 +ATOM 6199 C CA . ASP E 5 226 ? 0.785 27.102 -30.483 1.00 62.92 ? 229 ASP E CA 1 +ATOM 6200 C C . ASP E 5 226 ? -0.409 27.954 -30.094 1.00 61.14 ? 229 ASP E C 1 +ATOM 6201 O O . ASP E 5 226 ? -0.909 28.721 -30.926 1.00 63.16 ? 229 ASP E O 1 +ATOM 6202 N N . ARG E 5 227 ? -0.910 27.805 -28.872 1.00 58.37 ? 230 ARG E N 1 +ATOM 6203 C CA . ARG E 5 227 ? -2.049 28.618 -28.453 1.00 51.51 ? 230 ARG E CA 1 +ATOM 6204 C C . ARG E 5 227 ? -1.446 29.888 -27.904 1.00 47.43 ? 230 ARG E C 1 +ATOM 6205 O O . ARG E 5 227 ? -0.240 29.945 -27.679 1.00 45.78 ? 230 ARG E O 1 +ATOM 6206 C CB . ARG E 5 227 ? -2.883 27.919 -27.383 1.00 51.08 ? 230 ARG E CB 1 +ATOM 6207 C CG . ARG E 5 227 ? -2.261 27.891 -26.015 1.00 59.64 ? 230 ARG E CG 1 +ATOM 6208 C CD . ARG E 5 227 ? -3.179 27.220 -25.019 1.00 64.70 ? 230 ARG E CD 1 +ATOM 6209 N NE . ARG E 5 227 ? -2.728 27.449 -23.654 1.00 73.92 ? 230 ARG E NE 1 +ATOM 6210 C CZ . ARG E 5 227 ? -2.906 26.598 -22.648 1.00 75.68 ? 230 ARG E CZ 1 +ATOM 6211 N NH1 . ARG E 5 227 ? -3.515 25.439 -22.841 1.00 78.64 ? 230 ARG E NH1 1 +ATOM 6212 N NH2 . ARG E 5 227 ? -2.452 26.898 -21.443 1.00 77.88 ? 230 ARG E NH2 1 +ATOM 6213 N N . ALA E 5 228 ? -2.268 30.910 -27.702 1.00 46.41 ? 231 ALA E N 1 +ATOM 6214 C CA . ALA E 5 228 ? -1.764 32.173 -27.167 1.00 45.02 ? 231 ALA E CA 1 +ATOM 6215 C C . ALA E 5 228 ? -1.254 31.985 -25.716 1.00 47.69 ? 231 ALA E C 1 +ATOM 6216 O O . ALA E 5 228 ? -1.894 31.287 -24.898 1.00 52.24 ? 231 ALA E O 1 +ATOM 6217 C CB . ALA E 5 228 ? -2.855 33.246 -27.235 1.00 31.80 ? 231 ALA E CB 1 +ATOM 6218 N N . LYS E 5 229 ? -0.070 32.535 -25.434 1.00 44.17 ? 232 LYS E N 1 +ATOM 6219 C CA . LYS E 5 229 ? 0.551 32.471 -24.109 1.00 37.75 ? 232 LYS E CA 1 +ATOM 6220 C C . LYS E 5 229 ? -0.496 32.980 -23.125 1.00 38.11 ? 232 LYS E C 1 +ATOM 6221 O O . LYS E 5 229 ? -1.025 34.083 -23.299 1.00 39.57 ? 232 LYS E O 1 +ATOM 6222 C CB . LYS E 5 229 ? 1.778 33.376 -24.105 1.00 30.00 ? 232 LYS E CB 1 +ATOM 6223 C CG . LYS E 5 229 ? 2.787 33.132 -23.024 1.00 23.52 ? 232 LYS E CG 1 +ATOM 6224 C CD . LYS E 5 229 ? 3.965 34.022 -23.305 1.00 27.42 ? 232 LYS E CD 1 +ATOM 6225 C CE . LYS E 5 229 ? 5.036 33.934 -22.253 1.00 39.95 ? 232 LYS E CE 1 +ATOM 6226 N NZ . LYS E 5 229 ? 6.184 34.821 -22.587 1.00 41.97 ? 232 LYS E NZ 1 +ATOM 6227 N N . PRO E 5 230 ? -0.798 32.196 -22.075 1.00 39.08 ? 233 PRO E N 1 +ATOM 6228 C CA . PRO E 5 230 ? -1.801 32.550 -21.053 1.00 39.53 ? 233 PRO E CA 1 +ATOM 6229 C C . PRO E 5 230 ? -1.345 33.658 -20.103 1.00 40.62 ? 233 PRO E C 1 +ATOM 6230 O O . PRO E 5 230 ? -1.499 33.554 -18.889 1.00 43.89 ? 233 PRO E O 1 +ATOM 6231 C CB . PRO E 5 230 ? -2.006 31.236 -20.293 1.00 40.54 ? 233 PRO E CB 1 +ATOM 6232 C CG . PRO E 5 230 ? -1.127 30.196 -21.026 1.00 40.58 ? 233 PRO E CG 1 +ATOM 6233 C CD . PRO E 5 230 ? -0.053 30.996 -21.668 1.00 34.54 ? 233 PRO E CD 1 +ATOM 6234 N N . VAL E 5 231 ? -0.838 34.741 -20.675 1.00 36.88 ? 234 VAL E N 1 +ATOM 6235 C CA . VAL E 5 231 ? -0.321 35.870 -19.922 1.00 29.32 ? 234 VAL E CA 1 +ATOM 6236 C C . VAL E 5 231 ? -1.378 36.669 -19.140 1.00 29.79 ? 234 VAL E C 1 +ATOM 6237 O O . VAL E 5 231 ? -2.588 36.514 -19.350 1.00 24.16 ? 234 VAL E O 1 +ATOM 6238 C CB . VAL E 5 231 ? 0.428 36.818 -20.881 1.00 24.71 ? 234 VAL E CB 1 +ATOM 6239 C CG1 . VAL E 5 231 ? 1.670 36.159 -21.424 1.00 18.34 ? 234 VAL E CG1 1 +ATOM 6240 C CG2 . VAL E 5 231 ? -0.475 37.203 -22.025 1.00 18.73 ? 234 VAL E CG2 1 +ATOM 6241 N N . THR E 5 232 ? -0.901 37.500 -18.213 1.00 33.10 ? 235 THR E N 1 +ATOM 6242 C CA . THR E 5 232 ? -1.774 38.362 -17.419 1.00 35.05 ? 235 THR E CA 1 +ATOM 6243 C C . THR E 5 232 ? -2.518 39.253 -18.407 1.00 31.91 ? 235 THR E C 1 +ATOM 6244 O O . THR E 5 232 ? -1.902 39.985 -19.199 1.00 36.30 ? 235 THR E O 1 +ATOM 6245 C CB . THR E 5 232 ? -0.977 39.267 -16.454 1.00 35.67 ? 235 THR E CB 1 +ATOM 6246 O OG1 . THR E 5 232 ? -0.171 38.462 -15.588 1.00 43.14 ? 235 THR E OG1 1 +ATOM 6247 C CG2 . THR E 5 232 ? -1.928 40.114 -15.611 1.00 41.12 ? 235 THR E CG2 1 +ATOM 6248 N N . GLN E 5 233 ? -3.839 39.239 -18.306 1.00 30.61 ? 236 GLN E N 1 +ATOM 6249 C CA . GLN E 5 233 ? -4.687 39.995 -19.210 1.00 23.69 ? 236 GLN E CA 1 +ATOM 6250 C C . GLN E 5 233 ? -6.062 40.202 -18.596 1.00 21.04 ? 236 GLN E C 1 +ATOM 6251 O O . GLN E 5 233 ? -6.394 39.592 -17.586 1.00 24.78 ? 236 GLN E O 1 +ATOM 6252 C CB . GLN E 5 233 ? -4.830 39.186 -20.497 1.00 24.73 ? 236 GLN E CB 1 +ATOM 6253 C CG . GLN E 5 233 ? -5.180 37.733 -20.220 1.00 25.02 ? 236 GLN E CG 1 +ATOM 6254 C CD . GLN E 5 233 ? -5.264 36.881 -21.460 1.00 25.90 ? 236 GLN E CD 1 +ATOM 6255 O OE1 . GLN E 5 233 ? -6.305 36.834 -22.129 1.00 28.89 ? 236 GLN E OE1 1 +ATOM 6256 N NE2 . GLN E 5 233 ? -4.198 36.143 -21.741 1.00 21.45 ? 236 GLN E NE2 1 +ATOM 6257 N N . ILE E 5 234 ? -6.857 41.054 -19.231 1.00 18.74 ? 237 ILE E N 1 +ATOM 6258 C CA . ILE E 5 234 ? -8.214 41.353 -18.800 1.00 18.88 ? 237 ILE E CA 1 +ATOM 6259 C C . ILE E 5 234 ? -9.113 40.816 -19.903 1.00 25.58 ? 237 ILE E C 1 +ATOM 6260 O O . ILE E 5 234 ? -8.880 41.085 -21.084 1.00 30.45 ? 237 ILE E O 1 +ATOM 6261 C CB . ILE E 5 234 ? -8.453 42.879 -18.679 1.00 14.14 ? 237 ILE E CB 1 +ATOM 6262 C CG1 . ILE E 5 234 ? -7.634 43.474 -17.543 1.00 14.59 ? 237 ILE E CG1 1 +ATOM 6263 C CG2 . ILE E 5 234 ? -9.902 43.169 -18.466 1.00 8.96 ? 237 ILE E CG2 1 +ATOM 6264 C CD1 . ILE E 5 234 ? -7.756 44.976 -17.449 1.00 16.72 ? 237 ILE E CD1 1 +ATOM 6265 N N . VAL E 5 235 ? -10.127 40.049 -19.512 1.00 26.23 ? 238 VAL E N 1 +ATOM 6266 C CA . VAL E 5 235 ? -11.070 39.459 -20.449 1.00 22.65 ? 238 VAL E CA 1 +ATOM 6267 C C . VAL E 5 235 ? -12.446 39.926 -20.006 1.00 26.98 ? 238 VAL E C 1 +ATOM 6268 O O . VAL E 5 235 ? -12.857 39.641 -18.881 1.00 28.48 ? 238 VAL E O 1 +ATOM 6269 C CB . VAL E 5 235 ? -11.028 37.922 -20.377 1.00 23.60 ? 238 VAL E CB 1 +ATOM 6270 C CG1 . VAL E 5 235 ? -11.930 37.322 -21.440 1.00 24.32 ? 238 VAL E CG1 1 +ATOM 6271 C CG2 . VAL E 5 235 ? -9.598 37.416 -20.531 1.00 17.21 ? 238 VAL E CG2 1 +ATOM 6272 N N . SER E 5 236 ? -13.141 40.662 -20.871 1.00 27.57 ? 239 SER E N 1 +ATOM 6273 C CA . SER E 5 236 ? -14.465 41.179 -20.547 1.00 24.47 ? 239 SER E CA 1 +ATOM 6274 C C . SER E 5 236 ? -15.578 40.664 -21.447 1.00 22.92 ? 239 SER E C 1 +ATOM 6275 O O . SER E 5 236 ? -15.335 40.035 -22.475 1.00 24.93 ? 239 SER E O 1 +ATOM 6276 C CB . SER E 5 236 ? -14.468 42.710 -20.634 1.00 21.55 ? 239 SER E CB 1 +ATOM 6277 O OG . SER E 5 236 ? -13.196 43.259 -20.340 1.00 30.36 ? 239 SER E OG 1 +ATOM 6278 N N . ALA E 5 237 ? -16.799 41.009 -21.061 1.00 20.03 ? 240 ALA E N 1 +ATOM 6279 C CA . ALA E 5 237 ? -18.009 40.677 -21.787 1.00 15.10 ? 240 ALA E CA 1 +ATOM 6280 C C . ALA E 5 237 ? -18.910 41.860 -21.490 1.00 18.64 ? 240 ALA E C 1 +ATOM 6281 O O . ALA E 5 237 ? -18.699 42.550 -20.500 1.00 17.77 ? 240 ALA E O 1 +ATOM 6282 C CB . ALA E 5 237 ? -18.613 39.422 -21.232 1.00 22.74 ? 240 ALA E CB 1 +ATOM 6283 N N . GLU E 5 238 ? -19.911 42.109 -22.322 1.00 23.72 ? 241 GLU E N 1 +ATOM 6284 C CA . GLU E 5 238 ? -20.792 43.242 -22.070 1.00 26.08 ? 241 GLU E CA 1 +ATOM 6285 C C . GLU E 5 238 ? -22.217 43.018 -22.465 1.00 23.72 ? 241 GLU E C 1 +ATOM 6286 O O . GLU E 5 238 ? -22.565 41.943 -22.939 1.00 35.20 ? 241 GLU E O 1 +ATOM 6287 C CB . GLU E 5 238 ? -20.277 44.490 -22.773 1.00 33.76 ? 241 GLU E CB 1 +ATOM 6288 C CG . GLU E 5 238 ? -20.265 44.413 -24.266 1.00 38.97 ? 241 GLU E CG 1 +ATOM 6289 C CD . GLU E 5 238 ? -19.177 45.276 -24.857 1.00 50.16 ? 241 GLU E CD 1 +ATOM 6290 O OE1 . GLU E 5 238 ? -18.062 45.326 -24.279 1.00 55.63 ? 241 GLU E OE1 1 +ATOM 6291 O OE2 . GLU E 5 238 ? -19.431 45.900 -25.902 1.00 48.67 ? 241 GLU E OE2 1 +ATOM 6292 N N . ALA E 5 239 ? -23.046 44.030 -22.228 1.00 22.27 ? 242 ALA E N 1 +ATOM 6293 C CA . ALA E 5 239 ? -24.468 43.995 -22.573 1.00 23.85 ? 242 ALA E CA 1 +ATOM 6294 C C . ALA E 5 239 ? -24.993 45.429 -22.705 1.00 26.96 ? 242 ALA E C 1 +ATOM 6295 O O . ALA E 5 239 ? -24.430 46.347 -22.101 1.00 32.88 ? 242 ALA E O 1 +ATOM 6296 C CB . ALA E 5 239 ? -25.247 43.240 -21.520 1.00 21.26 ? 242 ALA E CB 1 +ATOM 6297 N N . TRP E 5 240 ? -26.023 45.631 -23.528 1.00 30.58 ? 243 TRP E N 1 +ATOM 6298 C CA . TRP E 5 240 ? -26.611 46.964 -23.715 1.00 34.16 ? 243 TRP E CA 1 +ATOM 6299 C C . TRP E 5 240 ? -28.045 47.022 -23.267 1.00 35.09 ? 243 TRP E C 1 +ATOM 6300 O O . TRP E 5 240 ? -28.808 46.077 -23.508 1.00 32.94 ? 243 TRP E O 1 +ATOM 6301 C CB . TRP E 5 240 ? -26.574 47.427 -25.179 1.00 32.98 ? 243 TRP E CB 1 +ATOM 6302 C CG . TRP E 5 240 ? -25.329 48.129 -25.564 1.00 36.15 ? 243 TRP E CG 1 +ATOM 6303 C CD1 . TRP E 5 240 ? -25.097 49.490 -25.576 1.00 39.43 ? 243 TRP E CD1 1 +ATOM 6304 C CD2 . TRP E 5 240 ? -24.141 47.514 -26.045 1.00 41.58 ? 243 TRP E CD2 1 +ATOM 6305 N NE1 . TRP E 5 240 ? -23.824 49.745 -26.049 1.00 42.49 ? 243 TRP E NE1 1 +ATOM 6306 C CE2 . TRP E 5 240 ? -23.222 48.551 -26.349 1.00 45.69 ? 243 TRP E CE2 1 +ATOM 6307 C CE3 . TRP E 5 240 ? -23.760 46.179 -26.259 1.00 43.43 ? 243 TRP E CE3 1 +ATOM 6308 C CZ2 . TRP E 5 240 ? -21.948 48.290 -26.855 1.00 51.56 ? 243 TRP E CZ2 1 +ATOM 6309 C CZ3 . TRP E 5 240 ? -22.493 45.919 -26.761 1.00 50.41 ? 243 TRP E CZ3 1 +ATOM 6310 C CH2 . TRP E 5 240 ? -21.604 46.972 -27.059 1.00 55.68 ? 243 TRP E CH2 1 +ATOM 6311 N N . GLY E 5 241 ? -28.403 48.166 -22.678 1.00 37.75 ? 244 GLY E N 1 +ATOM 6312 C CA . GLY E 5 241 ? -29.754 48.417 -22.203 1.00 41.05 ? 244 GLY E CA 1 +ATOM 6313 C C . GLY E 5 241 ? -30.772 48.193 -23.304 1.00 43.25 ? 244 GLY E C 1 +ATOM 6314 O O . GLY E 5 241 ? -30.788 48.896 -24.324 1.00 44.17 ? 244 GLY E O 1 +ATOM 6315 N N . ARG E 5 242 ? -31.589 47.166 -23.106 1.00 43.53 ? 245 ARG E N 1 +ATOM 6316 C CA . ARG E 5 242 ? -32.618 46.771 -24.052 1.00 45.66 ? 245 ARG E CA 1 +ATOM 6317 C C . ARG E 5 242 ? -33.919 47.424 -23.675 1.00 48.56 ? 245 ARG E C 1 +ATOM 6318 O O . ARG E 5 242 ? -33.957 48.320 -22.848 1.00 50.45 ? 245 ARG E O 1 +ATOM 6319 C CB . ARG E 5 242 ? -32.791 45.251 -24.014 1.00 51.43 ? 245 ARG E CB 1 +ATOM 6320 C CG . ARG E 5 242 ? -32.792 44.579 -25.371 1.00 57.36 ? 245 ARG E CG 1 +ATOM 6321 C CD . ARG E 5 242 ? -32.534 43.077 -25.251 1.00 65.13 ? 245 ARG E CD 1 +ATOM 6322 N NE . ARG E 5 242 ? -31.946 42.556 -26.488 1.00 80.58 ? 245 ARG E NE 1 +ATOM 6323 C CZ . ARG E 5 242 ? -32.602 41.859 -27.420 1.00 85.23 ? 245 ARG E CZ 1 +ATOM 6324 N NH1 . ARG E 5 242 ? -33.887 41.565 -27.270 1.00 88.76 ? 245 ARG E NH1 1 +ATOM 6325 N NH2 . ARG E 5 242 ? -31.982 41.503 -28.540 1.00 86.11 ? 245 ARG E NH2 1 +ATOM 6326 N N . ALA E 5 243 ? -34.984 46.938 -24.293 1.00 55.77 ? 246 ALA E N 1 +ATOM 6327 C CA . ALA E 5 243 ? -36.351 47.394 -24.085 1.00 61.41 ? 246 ALA E CA 1 +ATOM 6328 C C . ALA E 5 243 ? -37.116 46.470 -25.033 1.00 66.24 ? 246 ALA E C 1 +ATOM 6329 O O . ALA E 5 243 ? -37.460 46.843 -26.148 1.00 71.86 ? 246 ALA E O 1 +ATOM 6330 C CB . ALA E 5 243 ? -36.507 48.866 -24.493 1.00 53.49 ? 246 ALA E CB 1 +ATOM 6331 N N . ASP E 5 244 ? -37.224 45.213 -24.623 1.00 72.86 ? 247 ASP E N 1 +ATOM 6332 C CA . ASP E 5 244 ? -37.894 44.171 -25.396 1.00 78.45 ? 247 ASP E CA 1 +ATOM 6333 C C . ASP E 5 244 ? -39.404 44.408 -25.446 1.00 79.67 ? 247 ASP E C 1 +ATOM 6334 O O . ASP E 5 244 ? -39.931 45.095 -24.540 1.00 80.65 ? 247 ASP E O 1 +ATOM 6335 C CB . ASP E 5 244 ? -37.614 42.787 -24.777 1.00 85.31 ? 247 ASP E CB 1 +ATOM 6336 C CG . ASP E 5 244 ? -36.120 42.518 -24.543 1.00 91.37 ? 247 ASP E CG 1 +ATOM 6337 O OD1 . ASP E 5 244 ? -35.428 43.361 -23.927 1.00 95.67 ? 247 ASP E OD1 1 +ATOM 6338 O OD2 . ASP E 5 244 ? -35.643 41.432 -24.943 1.00 93.36 ? 247 ASP E OD2 1 +ATOM 6339 O OXT . ASP E 5 244 ? -40.047 43.878 -26.378 1.00 79.42 ? 247 ASP E OXT 1 +HETATM 6340 O O . HOH F 6 . ? 7.217 35.428 22.562 1.00 28.62 ? 276 HOH A O 1 +HETATM 6341 O O . HOH F 6 . ? 12.050 60.881 40.561 1.00 34.79 ? 277 HOH A O 1 +HETATM 6342 O O . HOH F 6 . ? 22.786 27.812 42.491 1.00 72.01 ? 278 HOH A O 1 +HETATM 6343 O O . HOH F 6 . ? 11.859 29.074 33.098 1.00 39.93 ? 279 HOH A O 1 +HETATM 6344 O O . HOH F 6 . ? 46.880 40.024 71.151 1.00 61.52 ? 280 HOH A O 1 +HETATM 6345 O O . HOH F 6 . ? 21.866 30.691 46.388 1.00 60.38 ? 281 HOH A O 1 +HETATM 6346 O O . HOH F 6 . ? 7.026 21.439 29.062 1.00 38.38 ? 282 HOH A O 1 +HETATM 6347 O O . HOH F 6 . ? 9.626 59.738 41.270 1.00 51.40 ? 283 HOH A O 1 +HETATM 6348 O O . HOH F 6 . ? 18.451 22.306 47.056 1.00 44.13 ? 284 HOH A O 1 +HETATM 6349 O O . HOH G 6 . ? 45.543 18.503 43.746 1.00 74.42 ? 100 HOH B O 1 +HETATM 6350 O O . HOH G 6 . ? 26.108 28.142 38.952 1.00 48.63 ? 101 HOH B O 1 +HETATM 6351 O O . HOH G 6 . ? 26.418 39.409 47.615 1.00 64.93 ? 102 HOH B O 1 +HETATM 6352 O O . HOH G 6 . ? 49.310 28.293 47.981 1.00 75.38 ? 103 HOH B O 1 +HETATM 6353 O O . HOH G 6 . ? 55.103 28.475 43.014 1.00 72.85 ? 104 HOH B O 1 +HETATM 6354 O O . HOH H 6 . ? -26.098 36.480 4.397 1.00 46.51 ? 211 HOH D O 1 +HETATM 6355 O O . HOH H 6 . ? 14.304 36.887 20.928 1.00 24.67 ? 212 HOH D O 1 +HETATM 6356 O O . HOH H 6 . ? -4.151 44.070 13.264 1.00 34.02 ? 213 HOH D O 1 +HETATM 6357 O O . HOH H 6 . ? -34.440 40.274 -1.266 1.00 51.73 ? 214 HOH D O 1 +HETATM 6358 O O . HOH H 6 . ? -29.272 43.637 17.090 1.00 80.31 ? 215 HOH D O 1 +HETATM 6359 O O . HOH H 6 . ? 16.629 38.434 20.359 1.00 57.17 ? 216 HOH D O 1 +HETATM 6360 O O . HOH H 6 . ? -1.851 38.540 29.612 1.00 42.98 ? 217 HOH D O 1 +HETATM 6361 O O . HOH H 6 . ? -36.572 33.386 -16.241 1.00 46.94 ? 218 HOH D O 1 +HETATM 6362 O O . HOH H 6 . ? -36.551 30.170 -16.320 1.00 69.80 ? 219 HOH D O 1 +HETATM 6363 O O . HOH H 6 . ? -38.674 27.723 -14.300 1.00 54.08 ? 220 HOH D O 1 +HETATM 6364 O O . HOH H 6 . ? -12.690 36.421 4.615 1.00 62.86 ? 221 HOH D O 1 +HETATM 6365 O O . HOH H 6 . ? -17.115 25.724 23.647 1.00 51.58 ? 222 HOH D O 1 +HETATM 6366 O O . HOH H 6 . ? -10.717 43.420 13.702 1.00 54.55 ? 223 HOH D O 1 +HETATM 6367 O O . HOH I 6 . ? -7.834 28.401 2.800 1.00 73.15 ? 248 HOH E O 1 +HETATM 6368 O O . HOH I 6 . ? 18.462 26.705 2.659 1.00 24.55 ? 249 HOH E O 1 +HETATM 6369 O O . HOH I 6 . ? 16.103 42.466 4.755 1.00 56.84 ? 250 HOH E O 1 +HETATM 6370 O O . HOH I 6 . ? -23.183 32.818 -5.532 1.00 27.76 ? 251 HOH E O 1 +HETATM 6371 O O . HOH I 6 . ? 0.378 47.513 18.019 1.00 34.80 ? 252 HOH E O 1 +HETATM 6372 O O . HOH I 6 . ? -2.632 44.002 -12.246 1.00 64.89 ? 253 HOH E O 1 +HETATM 6373 O O . HOH I 6 . ? -9.132 25.391 -19.867 1.00 24.59 ? 254 HOH E O 1 +HETATM 6374 O O . HOH I 6 . ? -37.533 52.929 -19.212 1.00 57.34 ? 255 HOH E O 1 +HETATM 6375 O O . HOH I 6 . ? 16.783 32.406 -8.683 1.00 73.10 ? 256 HOH E O 1 +HETATM 6376 O O . HOH I 6 . ? -10.858 27.299 2.616 1.00 63.18 ? 257 HOH E O 1 +HETATM 6377 O O . HOH I 6 . ? -11.731 43.369 -12.769 1.00 34.61 ? 258 HOH E O 1 +HETATM 6378 O O . HOH I 6 . ? 3.361 39.263 -10.471 1.00 56.34 ? 259 HOH E O 1 +# diff --git a/tmp/1BD2.mmjson b/tmp/1BD2.mmjson new file mode 100644 index 00000000000..2ecb5905a17 --- /dev/null +++ b/tmp/1BD2.mmjson @@ -0,0 +1,732 @@ +{ + "1bd2": { + "_entry.id": "1BD2", + "_audit_conform.dict_name": "mmcif_pdbx.dic", + "_audit_conform.dict_version": 5.397, + "_audit_conform.dict_location": "http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic", + "_database_2.database_id": ["PDB","WWPDB"], + "_database_2.database_code": ["1BD2","D_1000171609"], + "_database_2.pdbx_database_accession": ["pdb_00001bd2",null], + "_database_2.pdbx_doi": ["10.2210/pdb1bd2/pdb",null], + "_pdbx_audit_revision_history.ordinal": [1,2,3,4,5,6,7,8], + "_pdbx_audit_revision_history.data_content_type": ["Structure model","Structure model","Structure model","Structure model","Structure model","Structure model","Structure model","Structure model"], + "_pdbx_audit_revision_history.major_revision": [1,1,1,1,1,1,1,1], + "_pdbx_audit_revision_history.minor_revision": [0,1,2,3,4,5,6,7], + "_pdbx_audit_revision_history.revision_date": ["1998-08-19","2008-03-24","2011-07-13","2012-12-12","2013-03-13","2016-05-25","2023-08-02","2024-10-23"], + "_pdbx_audit_revision_details.ordinal": 1, + "_pdbx_audit_revision_details.revision_ordinal": 1, + "_pdbx_audit_revision_details.data_content_type": "Structure model", + "_pdbx_audit_revision_details.provider": "repository", + "_pdbx_audit_revision_details.type": "Initial release", + "_pdbx_audit_revision_details.description": null, + "_pdbx_audit_revision_details.details": null, + "_pdbx_audit_revision_group.ordinal": [1,2,3,4,5,6,7,8,9], + "_pdbx_audit_revision_group.revision_ordinal": [2,3,4,5,6,7,7,8,8], + "_pdbx_audit_revision_group.data_content_type": ["Structure model","Structure model","Structure model","Structure model","Structure model","Structure model","Structure model","Structure model","Structure model"], + "_pdbx_audit_revision_group.group": ["Version format compliance","Version format compliance","Other","Other","Structure summary","Database references","Refinement description","Data collection","Structure summary"], + "_pdbx_audit_revision_category.ordinal": [1,2,3,4,5,6,7], + "_pdbx_audit_revision_category.revision_ordinal": [7,7,7,8,8,8,8], + "_pdbx_audit_revision_category.data_content_type": ["Structure model","Structure model","Structure model","Structure model","Structure model","Structure model","Structure model"], + "_pdbx_audit_revision_category.category": ["database_2","pdbx_initial_refinement_model","struct_ref_seq_dif","chem_comp_atom","chem_comp_bond","pdbx_entry_details","pdbx_modification_feature"], + "_pdbx_audit_revision_item.ordinal": [1,2,3], + "_pdbx_audit_revision_item.revision_ordinal": [7,7,7], + "_pdbx_audit_revision_item.data_content_type": ["Structure model","Structure model","Structure model"], + "_pdbx_audit_revision_item.item": ["_database_2.pdbx_DOI","_database_2.pdbx_database_accession","_struct_ref_seq_dif.details"], + "_pdbx_database_status.status_code": "REL", + "_pdbx_database_status.entry_id": "1BD2", + "_pdbx_database_status.recvd_initial_deposition_date": "1998-05-12", + "_pdbx_database_status.deposit_site": null, + "_pdbx_database_status.process_site": "BNL", + "_pdbx_database_status.sg_entry": null, + "_pdbx_database_status.status_code_sf": null, + "_pdbx_database_status.status_code_mr": null, + "_pdbx_database_status.status_code_cs": null, + "_pdbx_database_status.methods_development_category": null, + "_pdbx_database_status.pdb_format_compatible": "Y", + "_pdbx_database_status.status_code_nmr_data": null, + "_audit_author.name": ["Ding, Y.-H.","Smith, K.J.","Garboczi, D.N.","Utz, U.","Biddison, W.E.","Wiley, D.C."], + "_audit_author.pdbx_ordinal": [1,2,3,4,5,6], + "_citation.id": ["primary",1], + "_citation.title": ["Two human T cell receptors bind in a similar diagonal mode to the HLA-A2/Tax peptide complex using different TCR amino acids.","Structure of the Complex between Human T-Cell Receptor, Viral Peptide and Hla-A2"], + "_citation.journal_abbrev": ["Immunity","Nature"], + "_citation.journal_volume": [8,384], + "_citation.page_first": [403,134], + "_citation.page_last": [411,null], + "_citation.year": [1998,1996], + "_citation.journal_id_astm": ["IUNIEH","NATUAS"], + "_citation.country": ["US","UK"], + "_citation.journal_id_issn": ["1074-7613","0028-0836"], + "_citation.journal_id_csd": [2048,"0006"], + "_citation.book_publisher": [null,null], + "_citation.pdbx_database_id_pubmed": [9586631,null], + "_citation.pdbx_database_id_doi": ["10.1016/S1074-7613(00)80546-4",null], + "_citation_author.citation_id": ["primary","primary","primary","primary","primary","primary",1,1,1,1,1,1], + "_citation_author.name": ["Ding, Y.H.","Smith, K.J.","Garboczi, D.N.","Utz, U.","Biddison, W.E.","Wiley, D.C.","Garboczi, D.N.","Ghosh, P.","Utz, U.","Fan, Q.R.","Biddison, W.E.","Wiley, 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+ } +} diff --git a/tmp/1BD2.pdb b/tmp/1BD2.pdb new file mode 100644 index 00000000000..55d8cf2d2c8 --- /dev/null +++ b/tmp/1BD2.pdb @@ -0,0 +1,7044 @@ +HEADER COMPLEX (MHC/VIRAL PEPTIDE/RECEPTOR) 12-MAY-98 1BD2 +TITLE COMPLEX BETWEEN HUMAN T-CELL RECEPTOR B7, VIRAL PEPTIDE (TAX) AND MHC +TITLE 2 CLASS I MOLECULE HLA-A 0201 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: HLA-A 0201; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: EXTRACELLULAR DOMAINS ALPHA 1, ALPHA 2, ALPHA 3; +COMPND 5 SYNONYM: HLA A2 HEAVY CHAIN; +COMPND 6 ENGINEERED: YES; +COMPND 7 MOL_ID: 2; +COMPND 8 MOLECULE: BETA-2 MICROGLOBULIN; +COMPND 9 CHAIN: B; +COMPND 10 ENGINEERED: YES; +COMPND 11 MOL_ID: 3; +COMPND 12 MOLECULE: TAX PEPTIDE; +COMPND 13 CHAIN: C; +COMPND 14 FRAGMENT: RESIDUES 11 - 19 FROM TAX PROTEIN OF HUMAN T LYMPHOTROPIC +COMPND 15 VIRUS TYPE 1; +COMPND 16 ENGINEERED: YES; +COMPND 17 MOL_ID: 4; +COMPND 18 MOLECULE: T CELL RECEPTOR ALPHA; +COMPND 19 CHAIN: D; +COMPND 20 FRAGMENT: EXTRACELLULAR DOMAINS V AND C, RESIDUES 1 - 210; +COMPND 21 ENGINEERED: YES; +COMPND 22 MOL_ID: 5; +COMPND 23 MOLECULE: T CELL RECEPTOR BETA; +COMPND 24 CHAIN: E; +COMPND 25 FRAGMENT: EXTRACELLULAR DOMAINS V AND C, RESIDUES 1 - 247; +COMPND 26 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 CELL_LINE: BL21; +SOURCE 6 ORGAN: PLASMA; +SOURCE 7 CELLULAR_LOCATION: PLASMA MEMBRANE; +SOURCE 8 GENE: HLA-A 0201; +SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 10 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 11 EXPRESSION_SYSTEM_STRAIN: XA90; +SOURCE 12 EXPRESSION_SYSTEM_CELLULAR_LOCATION: REFOLDED FROM INCLUSION BODIES; +SOURCE 13 EXPRESSION_SYSTEM_PLASMID: PHN1; +SOURCE 14 MOL_ID: 2; +SOURCE 15 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 16 ORGANISM_COMMON: HUMAN; +SOURCE 17 ORGANISM_TAXID: 9606; +SOURCE 18 CELL_LINE: BL21; +SOURCE 19 ORGAN: PLASMA; +SOURCE 20 CELLULAR_LOCATION: EXTRACELLULAR; +SOURCE 21 GENE: V BETA 12.3 J BETA 2.7 (BV13S1); +SOURCE 22 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 23 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 24 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); +SOURCE 25 EXPRESSION_SYSTEM_CELLULAR_LOCATION: REFOLDED FROM INCLUSION BODIES; +SOURCE 26 EXPRESSION_SYSTEM_PLASMID: PLM1; +SOURCE 27 MOL_ID: 3; +SOURCE 28 ORGANISM_SCIENTIFIC: HUMAN T-LYMPHOTROPIC VIRUS 1; +SOURCE 29 ORGANISM_TAXID: 11908; +SOURCE 30 MOL_ID: 4; +SOURCE 31 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 32 ORGANISM_COMMON: HUMAN; +SOURCE 33 ORGANISM_TAXID: 9606; +SOURCE 34 CELL_LINE: BL21; +SOURCE 35 ORGAN: PLASMA; +SOURCE 36 CELL: T-LYMPHOCYTE; +SOURCE 37 CELLULAR_LOCATION: PLASMA MEMBRANE; +SOURCE 38 GENE: V ALPHA 17.2, J ALPHA 54 (ADV21S1A1N2); +SOURCE 39 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 40 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 41 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); +SOURCE 42 EXPRESSION_SYSTEM_CELLULAR_LOCATION: REFOLDED FROM INCLUSION BODIES; +SOURCE 43 EXPRESSION_SYSTEM_PLASMID: PLM1; +SOURCE 44 MOL_ID: 5; +SOURCE 45 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 46 ORGANISM_COMMON: HUMAN; +SOURCE 47 ORGANISM_TAXID: 9606; +SOURCE 48 CELL_LINE: BL21; +SOURCE 49 ORGAN: PLASMA; +SOURCE 50 CELL: T-LYMPHOCYTE; +SOURCE 51 CELLULAR_LOCATION: PLASMA MEMBRANE; +SOURCE 52 GENE: V BETA 12.3, J BETA 2.7 (BV13S1); +SOURCE 53 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 54 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 55 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); +SOURCE 56 EXPRESSION_SYSTEM_CELLULAR_LOCATION: REFOLDED FROM INCLUSION BODIES; +SOURCE 57 EXPRESSION_SYSTEM_PLASMID: PLM1 +KEYWDS COMPLEX (MHC-VIRAL PEPTIDE-RECEPTOR), COMPLEX (MHC-VIRAL PEPTIDE- +KEYWDS 2 RECEPTOR) COMPLEX +EXPDTA X-RAY DIFFRACTION +AUTHOR Y.-H.DING,K.J.SMITH,D.N.GARBOCZI,U.UTZ,W.E.BIDDISON,D.C.WILEY +REVDAT 5 23-OCT-24 1BD2 1 REMARK +REVDAT 4 02-AUG-23 1BD2 1 SEQADV +REVDAT 3 25-MAY-16 1BD2 1 SOURCE VERSN +REVDAT 2 24-FEB-09 1BD2 1 VERSN +REVDAT 1 19-AUG-98 1BD2 0 +JRNL AUTH Y.H.DING,K.J.SMITH,D.N.GARBOCZI,U.UTZ,W.E.BIDDISON,D.C.WILEY +JRNL TITL TWO HUMAN T CELL RECEPTORS BIND IN A SIMILAR DIAGONAL MODE +JRNL TITL 2 TO THE HLA-A2/TAX PEPTIDE COMPLEX USING DIFFERENT TCR AMINO +JRNL TITL 3 ACIDS. +JRNL REF IMMUNITY V. 8 403 1998 +JRNL REFN ISSN 1074-7613 +JRNL PMID 9586631 +JRNL DOI 10.1016/S1074-7613(00)80546-4 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH D.N.GARBOCZI,P.GHOSH,U.UTZ,Q.R.FAN,W.E.BIDDISON,D.C.WILEY +REMARK 1 TITL STRUCTURE OF THE COMPLEX BETWEEN HUMAN T-CELL RECEPTOR, +REMARK 1 TITL 2 VIRAL PEPTIDE AND HLA-A2 +REMARK 1 REF NATURE V. 384 134 1996 +REMARK 1 REFN ISSN 0028-0836 +REMARK 2 +REMARK 2 RESOLUTION. 2.50 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR 3.851 +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1000000.000 +REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 90.6 +REMARK 3 NUMBER OF REFLECTIONS : 31731 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.238 +REMARK 3 FREE R VALUE : 0.312 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.200 +REMARK 3 FREE R VALUE TEST SET COUNT : 1637 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.008 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 8 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.50 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.61 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 84.50 +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3450 +REMARK 3 BIN R VALUE (WORKING SET) : 0.3800 +REMARK 3 BIN FREE R VALUE : 0.4200 +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.60 +REMARK 3 BIN FREE R VALUE TEST SET COUNT : 168 +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.032 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 6339 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 39 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 59.10 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 41.10 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.37 +REMARK 3 ESD FROM SIGMAA (A) : 0.50 +REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.48 +REMARK 3 ESD FROM C-V SIGMAA (A) : 0.58 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.010 +REMARK 3 BOND ANGLES (DEGREES) : 1.630 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 27.42 +REMARK 3 IMPROPER ANGLES (DEGREES) : 1.421 +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : 3.250 ; 2.000 +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 5.200 ; 4.000 +REMARK 3 SIDE-CHAIN BOND (A**2) : 4.920 ; 2.000 +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 7.330 ; 4.000 +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO +REMARK 3 PARAMETER FILE 2 : PARAM19.SOL +REMARK 3 PARAMETER FILE 3 : NULL +REMARK 3 TOPOLOGY FILE 1 : TOPH19.PEP +REMARK 3 TOPOLOGY FILE 2 : TOPHCSDX.PRO +REMARK 3 TOPOLOGY FILE 3 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1BD2 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 100 THE DEPOSITION ID IS D_1000171609. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 05-FEB-97 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 7.1 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : CHESS +REMARK 200 BEAMLINE : A1 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.908 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 33899 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 +REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 91.2 +REMARK 200 DATA REDUNDANCY : 4.200 +REMARK 200 R MERGE (I) : 0.11000 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.59 +REMARK 200 COMPLETENESS FOR SHELL (%) : 85.1 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : 0.22000 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: X-PLOR 3.851 +REMARK 200 STARTING MODEL: PDB ENTRIES 1HHI AND 1AO7 +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 58.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.68 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 12% PEG8000, 20MM MOPS, 100MM +REMARK 280 MAGNESIUM ACETATE,PH7.1 +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 31.90000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 108.85000 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 36.65000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 108.85000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 31.90000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 36.65000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTAMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: PENTAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 10000 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 36170 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -57.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 MET B 0 +REMARK 465 SER D 133 +REMARK 465 SER D 134 +REMARK 465 ASP D 135 +REMARK 465 LYS D 136 +REMARK 465 SER D 170 +REMARK 465 MET D 171 +REMARK 465 ASP D 172 +REMARK 465 PHE D 204 +REMARK 465 PRO D 205 +REMARK 465 SER D 206 +REMARK 465 PRO D 207 +REMARK 465 GLU D 208 +REMARK 465 SER D 209 +REMARK 465 SER D 210 +REMARK 465 ASN E 1 +REMARK 465 ALA E 2 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 ARG A 17 CB CG CD NE CZ NH1 NH2 +REMARK 470 GLN A 54 CB CG CD OE1 NE2 +REMARK 470 ARG A 170 CG CD NE CZ NH1 NH2 +REMARK 470 GLU A 177 CB CG CD OE1 OE2 +REMARK 470 HIS A 192 CB CG ND1 CD2 CE1 NE2 +REMARK 470 GLU A 222 CG CD OE1 OE2 +REMARK 470 ASP A 223 CB CG OD1 OD2 +REMARK 470 GLN A 226 CG CD OE1 NE2 +REMARK 470 ARG A 256 CG CD NE CZ NH1 NH2 +REMARK 470 GLU A 264 CG CD OE1 OE2 +REMARK 470 LYS A 268 CG CD CE NZ +REMARK 470 ARG A 273 CG CD NE CZ NH1 NH2 +REMARK 470 LYS B 19 CG CD CE NZ +REMARK 470 GLU B 44 CB CG CD OE1 OE2 +REMARK 470 GLU B 47 CB CG CD OE1 OE2 +REMARK 470 LYS B 58 CB CG CD CE NZ +REMARK 470 GLU B 74 CB CG CD OE1 OE2 +REMARK 470 LYS D 4 CG CD CE NZ +REMARK 470 ARG D 16 CG CD NE CZ NH1 NH2 +REMARK 470 ILE D 19 CG1 CG2 CD1 +REMARK 470 LEU D 20 CG CD1 CD2 +REMARK 470 LYS D 53 CG CD CE NZ +REMARK 470 LYS D 54A CG CD CE NZ +REMARK 470 LYS D 71 CG CD CE NZ +REMARK 470 ILE D 114 CG1 CG2 CD1 +REMARK 470 GLN D 119 CG CD OE1 NE2 +REMARK 470 ARG D 129 CG CD NE CZ NH1 NH2 +REMARK 470 LYS D 132 CG CD CE NZ +REMARK 470 SER D 137 OG +REMARK 470 LYS D 154 CG CD CE NZ +REMARK 470 SER D 156 OG +REMARK 470 LYS D 163 CG CD CE NZ +REMARK 470 ARG D 169 CG CD NE CZ NH1 NH2 +REMARK 470 SER D 185 OG +REMARK 470 ASP D 186 CG OD1 OD2 +REMARK 470 ASN D 191 CG OD1 ND2 +REMARK 470 ASN D 194 CG OD1 ND2 +REMARK 470 PRO D 199 CG CD +REMARK 470 ASP E 26 CG OD1 OD2 +REMARK 470 GLU E 30 CG CD OE1 OE2 +REMARK 470 MET E 41 CG SD CE +REMARK 470 ARG E 78 CG CD NE CZ NH1 NH2 +REMARK 470 ASP E 119 CG OD1 OD2 +REMARK 470 LYS E 121 CG CD CE NZ +REMARK 470 GLU E 135 CG CD OE1 OE2 +REMARK 470 ILE E 138 CG1 CG2 CD1 +REMARK 470 GLN E 178 CG CD OE1 NE2 +REMARK 470 LYS E 181 CG CD CE NZ +REMARK 470 ASP E 188 CG OD1 OD2 +REMARK 470 ARG E 190 CG CD NE CZ NH1 NH2 +REMARK 470 GLU E 222 CG CD OE1 OE2 +REMARK 470 ASN E 223 CG OD1 ND2 +REMARK 470 GLU E 225 CG CD OE1 OE2 +REMARK 470 THR E 227 OG1 CG2 +REMARK 470 ASP E 229 CB CG OD1 OD2 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ASP A 29 -133.58 60.62 +REMARK 500 LEU A 110 -60.09 -138.16 +REMARK 500 HIS A 114 109.91 -174.93 +REMARK 500 TYR A 123 -57.75 -124.75 +REMARK 500 ALA A 136 -78.74 -62.13 +REMARK 500 ASP A 137 -156.73 -102.60 +REMARK 500 LYS A 176 -66.88 -27.15 +REMARK 500 ASP A 196 34.08 -91.44 +REMARK 500 HIS A 197 -19.50 -156.47 +REMARK 500 PRO A 210 -169.36 -63.69 +REMARK 500 ASP A 220 6.83 59.21 +REMARK 500 THR A 225 -66.32 -26.86 +REMARK 500 ALA B 15 100.08 -55.02 +REMARK 500 HIS B 31 129.52 -170.85 +REMARK 500 GLU B 47 -75.68 -58.85 +REMARK 500 PHE B 70 145.29 -174.61 +REMARK 500 ARG B 97 -1.08 -59.46 +REMARK 500 SER D 7 88.41 60.31 +REMARK 500 THR D 25 -74.57 -106.26 +REMARK 500 ILE D 47 151.05 176.96 +REMARK 500 ARG D 61 -25.40 89.98 +REMARK 500 ASN D 67 75.28 -154.23 +REMARK 500 ALA D 86 172.91 177.01 +REMARK 500 GLU D 94 72.29 -118.76 +REMARK 500 ASP D 122 89.48 -162.84 +REMARK 500 ALA D 124 147.84 -179.09 +REMARK 500 SER D 146 8.61 -64.87 +REMARK 500 VAL D 150 102.73 73.67 +REMARK 500 ASN D 183 59.15 -92.00 +REMARK 500 SER D 185 -71.52 -67.82 +REMARK 500 ALA D 192 -77.99 -4.47 +REMARK 500 ASN D 195 119.35 136.76 +REMARK 500 SER D 196 91.14 47.56 +REMARK 500 PRO D 199 165.82 64.56 +REMARK 500 GLU D 200 74.11 45.48 +REMARK 500 THR D 202 172.32 -49.34 +REMARK 500 ILE E 46 -60.15 -100.80 +REMARK 500 VAL E 60 72.23 -113.92 +REMARK 500 ARG E 69 79.18 -152.07 +REMARK 500 SER E 81 100.91 -161.15 +REMARK 500 ASP E 156 16.34 -67.38 +REMARK 500 GLN E 183 72.71 -159.45 +REMARK 500 PRO E 233 49.12 -72.70 +REMARK 500 ALA E 246 73.21 -179.19 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1BD2 A 1 275 UNP P01892 1A02_HUMAN 25 299 +DBREF 1BD2 B 1 99 UNP P61769 B2MG_HUMAN 21 119 +DBREF 1BD2 D 1 210 GB 338766 AAA60627 28 233 +DBREF 1BD2 E 1 247 GB 3002925 AAC08953 20 264 +DBREF 1BD2 C 1 9 PDB 1BD2 1BD2 1 9 +SEQADV 1BD2 ALA D 56 GB 338766 GLU 84 CONFLICT +SEQADV 1BD2 D GB 338766 LYS 119 DELETION +SEQADV 1BD2 MET D 93 GB 338766 GLY 120 CONFLICT +SEQADV 1BD2 GLU D 94 GB 338766 ALA 121 CONFLICT +SEQADV 1BD2 D GB 338766 THR 123 DELETION +SEQADV 1BD2 GLN D 102 GB 338766 SER 125 CONFLICT +SEQADV 1BD2 VAL D 105 GB 338766 THR 128 CONFLICT +SEQADV 1BD2 GLN D 108 GB 338766 THR 131 CONFLICT +SEQADV 1BD2 THR D 113 GB 338766 GLN 136 CONFLICT +SEQADV 1BD2 ILE D 114 GB 338766 VAL 137 CONFLICT +SEQADV 1BD2 ASN D 115 GB 338766 THR 138 CONFLICT +SEQADV 1BD2 PRO D 116 GB 338766 LEU 139 CONFLICT +SEQADV 1BD2 ASN D 117 GB 338766 ASP 140 CONFLICT +SEQADV 1BD2 TYR E 96 GB 3002925 PHE 114 CONFLICT +SEQADV 1BD2 GLY E 98 GB 3002925 ARG 116 CONFLICT +SEQADV 1BD2 GLY E 99 GB 3002925 GLN 117 CONFLICT +SEQADV 1BD2 GLY E 100 GB 3002925 PRO 118 CONFLICT +SEQADV 1BD2 PHE E 101 GB 3002925 SER 119 CONFLICT +SEQADV 1BD2 E GB 3002925 ASN 121 DELETION +SEQADV 1BD2 TYR E 107 GB 3002925 PHE 124 CONFLICT +SEQADV 1BD2 THR E 117 GB 3002925 LEU 134 CONFLICT +SEQADV 1BD2 ALA E 192 GB 3002925 CYS 209 CONFLICT +SEQADV 1BD2 ASP E 206 GB 3002925 ASN 223 CONFLICT +SEQRES 1 A 275 GLY SER HIS SER MET ARG TYR PHE PHE THR SER VAL SER +SEQRES 2 A 275 ARG PRO GLY ARG GLY GLU PRO ARG PHE ILE ALA VAL GLY +SEQRES 3 A 275 TYR VAL ASP ASP THR GLN PHE VAL ARG PHE ASP SER ASP +SEQRES 4 A 275 ALA ALA SER GLN ARG MET GLU PRO ARG ALA PRO TRP ILE +SEQRES 5 A 275 GLU GLN GLU GLY PRO GLU TYR TRP ASP GLY GLU THR ARG +SEQRES 6 A 275 LYS VAL LYS ALA HIS SER GLN THR HIS ARG VAL ASP LEU +SEQRES 7 A 275 GLY THR LEU ARG GLY TYR TYR ASN GLN SER GLU ALA GLY +SEQRES 8 A 275 SER HIS THR VAL GLN ARG MET TYR GLY CYS ASP VAL GLY +SEQRES 9 A 275 SER ASP TRP ARG PHE LEU ARG GLY TYR HIS GLN TYR ALA +SEQRES 10 A 275 TYR ASP GLY LYS ASP TYR ILE ALA LEU LYS GLU ASP LEU +SEQRES 11 A 275 ARG SER TRP THR ALA ALA ASP MET ALA ALA GLN THR THR +SEQRES 12 A 275 LYS HIS LYS TRP GLU ALA ALA HIS VAL ALA GLU GLN LEU +SEQRES 13 A 275 ARG ALA TYR LEU GLU GLY THR CYS VAL GLU TRP LEU ARG +SEQRES 14 A 275 ARG TYR LEU GLU ASN GLY LYS GLU THR LEU GLN ARG THR +SEQRES 15 A 275 ASP ALA PRO LYS THR HIS MET THR HIS HIS ALA VAL SER +SEQRES 16 A 275 ASP HIS GLU ALA THR LEU ARG CYS TRP ALA LEU SER PHE +SEQRES 17 A 275 TYR PRO ALA GLU ILE THR LEU THR TRP GLN ARG ASP GLY +SEQRES 18 A 275 GLU ASP GLN THR GLN ASP THR GLU LEU VAL GLU THR ARG +SEQRES 19 A 275 PRO ALA GLY ASP GLY THR PHE GLN LYS TRP ALA ALA VAL +SEQRES 20 A 275 VAL VAL PRO SER GLY GLN GLU GLN ARG TYR THR CYS HIS +SEQRES 21 A 275 VAL GLN HIS GLU GLY LEU PRO LYS PRO LEU THR LEU ARG +SEQRES 22 A 275 TRP GLU +SEQRES 1 B 100 MET ILE GLN ARG THR PRO LYS ILE GLN VAL TYR SER ARG +SEQRES 2 B 100 HIS PRO ALA GLU ASN GLY LYS SER ASN PHE LEU ASN CYS +SEQRES 3 B 100 TYR VAL SER GLY PHE HIS PRO SER ASP ILE GLU VAL ASP +SEQRES 4 B 100 LEU LEU LYS ASN GLY GLU ARG ILE GLU LYS VAL GLU HIS +SEQRES 5 B 100 SER ASP LEU SER PHE SER LYS ASP TRP SER PHE TYR LEU +SEQRES 6 B 100 LEU TYR TYR THR GLU PHE THR PRO THR GLU LYS ASP GLU +SEQRES 7 B 100 TYR ALA CYS ARG VAL ASN HIS VAL THR LEU SER GLN PRO +SEQRES 8 B 100 LYS ILE VAL LYS TRP ASP ARG ASP MET +SEQRES 1 C 9 LEU LEU PHE GLY TYR PRO VAL TYR VAL +SEQRES 1 D 204 GLN GLN VAL LYS GLN ASN SER PRO SER LEU SER VAL GLN +SEQRES 2 D 204 GLU GLY ARG ILE SER ILE LEU ASN CYS ASP TYR THR ASN +SEQRES 3 D 204 SER MET PHE ASP TYR PHE LEU TRP TYR LYS LYS TYR PRO +SEQRES 4 D 204 ALA GLU GLY PRO THR PHE LEU ILE SER ILE SER SER ILE +SEQRES 5 D 204 LYS ASP LYS ASN ALA ASP GLY ARG PHE THR VAL PHE LEU +SEQRES 6 D 204 ASN LYS SER ALA LYS HIS LEU SER LEU HIS ILE VAL PRO +SEQRES 7 D 204 SER GLN PRO GLY ASP SER ALA VAL TYR PHE CYS ALA ALA +SEQRES 8 D 204 MET GLU GLY ALA GLN LYS LEU VAL PHE GLY GLN GLY THR +SEQRES 9 D 204 ARG LEU THR ILE ASN PRO ASN ILE GLN ASN PRO ASP PRO +SEQRES 10 D 204 ALA VAL TYR GLN LEU ARG ASP SER LYS SER SER ASP LYS +SEQRES 11 D 204 SER VAL CYS LEU PHE THR ASP PHE ASP SER GLN THR ASN +SEQRES 12 D 204 VAL SER GLN SER LYS ASP SER ASP VAL TYR ILE THR ASP +SEQRES 13 D 204 LYS THR VAL LEU ASP MET ARG SER MET ASP PHE LYS SER +SEQRES 14 D 204 ASN SER ALA VAL ALA TRP SER ASN LYS SER ASP PHE ALA +SEQRES 15 D 204 CYS ALA ASN ALA PHE ASN ASN SER ILE ILE PRO GLU ASP +SEQRES 16 D 204 THR PHE PHE PRO SER PRO GLU SER SER +SEQRES 1 E 244 ASN ALA GLY VAL THR GLN THR PRO LYS PHE GLN VAL LEU +SEQRES 2 E 244 LYS THR GLY GLN SER MET THR LEU GLN CYS ALA GLN ASP +SEQRES 3 E 244 MET ASN HIS GLU TYR MET SER TRP TYR ARG GLN ASP PRO +SEQRES 4 E 244 GLY MET GLY LEU ARG LEU ILE HIS TYR SER VAL GLY ALA +SEQRES 5 E 244 GLY ILE THR ASP GLN GLY GLU VAL PRO ASN GLY TYR ASN +SEQRES 6 E 244 VAL SER ARG SER THR THR GLU ASP PHE PRO LEU ARG LEU +SEQRES 7 E 244 LEU SER ALA ALA PRO SER GLN THR SER VAL TYR PHE CYS +SEQRES 8 E 244 ALA SER SER TYR PRO GLY GLY GLY PHE TYR GLU GLN TYR +SEQRES 9 E 244 PHE GLY PRO GLY THR ARG LEU THR VAL THR GLU ASP LEU +SEQRES 10 E 244 LYS ASN VAL PHE PRO PRO GLU VAL ALA VAL PHE GLU PRO +SEQRES 11 E 244 SER GLU ALA GLU ILE SER HIS THR GLN LYS ALA THR LEU +SEQRES 12 E 244 VAL CYS LEU ALA THR GLY PHE TYR PRO ASP HIS VAL GLU +SEQRES 13 E 244 LEU SER TRP TRP VAL ASN GLY LYS GLU VAL HIS SER GLY +SEQRES 14 E 244 VAL SER THR ASP PRO GLN PRO LEU LYS GLU GLN PRO ALA +SEQRES 15 E 244 LEU ASN ASP SER ARG TYR ALA LEU SER SER ARG LEU ARG +SEQRES 16 E 244 VAL SER ALA THR PHE TRP GLN ASP PRO ARG ASN HIS PHE +SEQRES 17 E 244 ARG CYS GLN VAL GLN PHE TYR GLY LEU SER GLU ASN ASP +SEQRES 18 E 244 GLU TRP THR GLN ASP ARG ALA LYS PRO VAL THR GLN ILE +SEQRES 19 E 244 VAL SER ALA GLU ALA TRP GLY ARG ALA ASP +FORMUL 6 HOH *39(H2 O) +HELIX 1 1 PRO A 57 TYR A 85 1 29 +HELIX 2 2 MET A 138 ALA A 149 1 12 +HELIX 3 3 VAL A 152 GLU A 161 1 10 +HELIX 4 4 THR A 163 ASN A 174 1 12 +HELIX 5 5 LYS A 176 LEU A 179 1 4 +HELIX 6 6 THR A 225 ASP A 227 5 3 +HELIX 7 7 GLN A 253 ARG A 256 5 4 +HELIX 8 8 PRO D 82 ASP D 84 5 3 +HELIX 9 9 CYS D 189 ALA D 192 1 4 +HELIX 10 10 PRO E 84 GLN E 86 5 3 +HELIX 11 11 PRO E 97 GLY E 99 5 3 +HELIX 12 12 LEU E 120 ASN E 122 5 3 +HELIX 13 13 GLU E 135 THR E 141 1 7 +HELIX 14 14 ALA E 201 TRP E 204 1 4 +SHEET 1 A 7 THR A 31 ASP A 37 0 +SHEET 2 A 7 ARG A 21 VAL A 28 -1 N VAL A 28 O THR A 31 +SHEET 3 A 7 HIS A 3 VAL A 12 -1 N VAL A 12 O ARG A 21 +SHEET 4 A 7 THR A 94 VAL A 103 -1 N VAL A 103 O HIS A 3 +SHEET 5 A 7 PHE A 109 TYR A 118 -1 N ALA A 117 O GLN A 96 +SHEET 6 A 7 LYS A 121 LEU A 126 -1 N ILE A 124 O TYR A 116 +SHEET 7 A 7 TRP A 133 ALA A 135 -1 N THR A 134 O ALA A 125 +SHEET 1 B 4 LYS A 186 HIS A 192 0 +SHEET 2 B 4 GLU A 198 LEU A 206 -1 N LEU A 206 O LYS A 186 +SHEET 3 B 4 LYS A 243 PRO A 250 -1 N VAL A 249 O ALA A 199 +SHEET 4 B 4 THR A 228 LEU A 230 -1 N GLU A 229 O ALA A 246 +SHEET 1 C 3 THR A 214 ARG A 219 0 +SHEET 2 C 3 TYR A 257 GLN A 262 -1 N GLN A 262 O THR A 214 +SHEET 3 C 3 LEU A 270 ARG A 273 -1 N LEU A 272 O CYS A 259 +SHEET 1 D 3 LYS B 6 SER B 11 0 +SHEET 2 D 3 SER B 20 SER B 28 -1 N SER B 28 O LYS B 6 +SHEET 3 D 3 LEU B 64 THR B 71 -1 N PHE B 70 O ASN B 21 +SHEET 1 E 3 GLU B 36 LYS B 41 0 +SHEET 2 E 3 TYR B 78 ASN B 83 -1 N ASN B 83 O GLU B 36 +SHEET 3 E 3 LYS B 91 LYS B 94 -1 N VAL B 93 O CYS B 80 +SHEET 1 F 5 SER D 9 GLN D 13 0 +SHEET 2 F 5 THR D 110 ASN D 115 1 N ARG D 111 O LEU D 10 +SHEET 3 F 5 ALA D 86 MET D 93 -1 N TYR D 88 O THR D 110 +SHEET 4 F 5 TYR D 31 LYS D 37 -1 N LYS D 37 O VAL D 87 +SHEET 5 F 5 PRO D 43 SER D 50 -1 N ILE D 49 O PHE D 32 +SHEET 1 G 4 SER D 18 ASP D 23 0 +SHEET 2 G 4 HIS D 72 ILE D 77 -1 N ILE D 77 O SER D 18 +SHEET 3 G 4 PHE D 62 ASN D 67 -1 N ASN D 67 O HIS D 72 +SHEET 4 G 4 LYS D 54A ASP D 57 -1 N ASP D 57 O PHE D 62 +SHEET 1 H 2 ALA D 91 MET D 93 0 +SHEET 2 H 2 LEU D 104 PHE D 106 -1 N VAL D 105 O ALA D 92 +SHEET 1 I 4 ALA D 124 LEU D 128 0 +SHEET 2 I 4 VAL D 138 THR D 142 -1 N THR D 142 O ALA D 124 +SHEET 3 I 4 LYS D 174 TRP D 181 -1 N ALA D 180 O CYS D 139 +SHEET 4 I 4 THR D 164 ASP D 167 -1 N LEU D 166 O SER D 175 +SHEET 1 J 2 VAL E 4 THR E 7 0 +SHEET 2 J 2 GLN E 22 GLN E 25 -1 N ALA E 24 O THR E 5 +SHEET 1 K 5 PHE E 10 LYS E 14 0 +SHEET 2 K 5 THR E 112 THR E 117 1 N ARG E 113 O GLN E 11 +SHEET 3 K 5 SER E 88 SER E 95 -1 N TYR E 90 O THR E 112 +SHEET 4 K 5 TYR E 31 GLN E 37 -1 N GLN E 37 O VAL E 89 +SHEET 5 K 5 LEU E 43 SER E 49 -1 N SER E 49 O MET E 32 +SHEET 1 L 3 MET E 19 LEU E 21 0 +SHEET 2 L 3 LEU E 77 LEU E 79 -1 N LEU E 79 O MET E 19 +SHEET 3 L 3 TYR E 65 VAL E 67 -1 N ASN E 66 O ARG E 78 +SHEET 1 M 4 GLU E 127 PHE E 131 0 +SHEET 2 M 4 LYS E 143 PHE E 153 -1 N THR E 151 O GLU E 127 +SHEET 3 M 4 TYR E 191 SER E 200 -1 N VAL E 199 O ALA E 144 +SHEET 4 M 4 VAL E 173 THR E 175 -1 N SER E 174 O ARG E 196 +SHEET 1 N 4 LYS E 167 VAL E 169 0 +SHEET 2 N 4 VAL E 158 VAL E 164 -1 N VAL E 164 O LYS E 167 +SHEET 3 N 4 HIS E 210 PHE E 217 -1 N GLN E 216 O GLU E 159 +SHEET 4 N 4 GLN E 236 TRP E 243 -1 N ALA E 242 O PHE E 211 +SSBOND 1 CYS A 101 CYS A 164 1555 1555 2.05 +SSBOND 2 CYS A 203 CYS A 259 1555 1555 2.03 +SSBOND 3 CYS B 25 CYS B 80 1555 1555 2.04 +SSBOND 4 CYS D 22 CYS D 90 1555 1555 2.03 +SSBOND 5 CYS D 139 CYS D 189 1555 1555 2.03 +SSBOND 6 CYS E 23 CYS E 92 1555 1555 2.01 +SSBOND 7 CYS E 148 CYS E 213 1555 1555 2.02 +CISPEP 1 TYR A 209 PRO A 210 0 -2.04 +CISPEP 2 HIS B 31 PRO B 32 0 0.81 +CISPEP 3 VAL D 78 PRO D 79 0 0.05 +CISPEP 4 THR E 7 PRO E 8 0 -0.17 +CISPEP 5 TYR E 154 PRO E 155 0 -1.59 +CRYST1 63.800 73.300 217.700 90.00 90.00 90.00 P 21 21 21 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.015674 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.013643 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.004593 0.00000 +ATOM 1 N GLY A 1 4.928 25.601 53.716 1.00 56.47 N +ATOM 2 CA GLY A 1 5.455 26.959 54.016 1.00 60.73 C +ATOM 3 C GLY A 1 5.535 27.793 52.755 1.00 59.90 C +ATOM 4 O GLY A 1 5.308 27.269 51.657 1.00 61.33 O +ATOM 5 N SER A 2 5.860 29.077 52.911 1.00 56.73 N +ATOM 6 CA SER A 2 5.995 30.004 51.788 1.00 51.69 C +ATOM 7 C SER A 2 6.992 29.502 50.749 1.00 48.65 C +ATOM 8 O SER A 2 7.835 28.649 51.041 1.00 47.19 O +ATOM 9 CB SER A 2 6.453 31.384 52.275 1.00 50.43 C +ATOM 10 OG SER A 2 5.512 31.967 53.155 1.00 55.79 O +ATOM 11 N HIS A 3 6.895 30.042 49.539 1.00 45.13 N +ATOM 12 CA HIS A 3 7.780 29.679 48.439 1.00 40.71 C +ATOM 13 C HIS A 3 7.899 30.864 47.505 1.00 39.80 C +ATOM 14 O HIS A 3 7.110 31.810 47.572 1.00 40.77 O +ATOM 15 CB HIS A 3 7.251 28.459 47.677 1.00 39.18 C +ATOM 16 CG HIS A 3 7.404 27.167 48.422 1.00 43.37 C +ATOM 17 ND1 HIS A 3 8.620 26.711 48.890 1.00 37.60 N +ATOM 18 CD2 HIS A 3 6.489 26.238 48.795 1.00 41.98 C +ATOM 19 CE1 HIS A 3 8.449 25.561 49.518 1.00 36.06 C +ATOM 20 NE2 HIS A 3 7.163 25.253 49.473 1.00 36.24 N +ATOM 21 N SER A 4 8.909 30.833 46.653 1.00 38.79 N +ATOM 22 CA SER A 4 9.109 31.919 45.717 1.00 41.46 C +ATOM 23 C SER A 4 9.952 31.530 44.500 1.00 39.36 C +ATOM 24 O SER A 4 10.726 30.565 44.552 1.00 36.13 O +ATOM 25 CB SER A 4 9.714 33.128 46.444 1.00 37.84 C +ATOM 26 OG SER A 4 10.847 32.800 47.230 1.00 49.59 O +ATOM 27 N MET A 5 9.717 32.225 43.385 1.00 36.57 N +ATOM 28 CA MET A 5 10.468 32.011 42.151 1.00 31.53 C +ATOM 29 C MET A 5 10.976 33.378 41.757 1.00 27.14 C +ATOM 30 O MET A 5 10.224 34.353 41.806 1.00 19.97 O +ATOM 31 CB MET A 5 9.591 31.450 41.035 1.00 32.82 C +ATOM 32 CG MET A 5 10.329 31.314 39.698 1.00 26.96 C +ATOM 33 SD MET A 5 9.332 30.444 38.518 1.00 29.68 S +ATOM 34 CE MET A 5 8.114 31.698 38.167 1.00 34.15 C +ATOM 35 N ARG A 6 12.250 33.443 41.379 1.00 29.74 N +ATOM 36 CA ARG A 6 12.889 34.703 41.001 1.00 35.75 C +ATOM 37 C ARG A 6 13.873 34.571 39.834 1.00 30.84 C +ATOM 38 O ARG A 6 14.600 33.581 39.735 1.00 27.26 O +ATOM 39 CB ARG A 6 13.662 35.273 42.196 1.00 45.61 C +ATOM 40 CG ARG A 6 12.908 35.314 43.511 1.00 53.13 C +ATOM 41 CD ARG A 6 11.708 36.211 43.399 1.00 63.76 C +ATOM 42 NE ARG A 6 11.759 37.299 44.360 1.00 68.82 N +ATOM 43 CZ ARG A 6 10.741 37.649 45.128 1.00 66.63 C +ATOM 44 NH1 ARG A 6 9.585 37.005 45.042 1.00 67.01 N +ATOM 45 NH2 ARG A 6 10.893 38.629 45.998 1.00 70.05 N +ATOM 46 N TYR A 7 13.904 35.579 38.960 1.00 29.83 N +ATOM 47 CA TYR A 7 14.833 35.594 37.823 1.00 23.63 C +ATOM 48 C TYR A 7 15.732 36.813 37.972 1.00 22.43 C +ATOM 49 O TYR A 7 15.264 37.891 38.360 1.00 23.14 O +ATOM 50 CB TYR A 7 14.083 35.653 36.497 1.00 16.86 C +ATOM 51 CG TYR A 7 13.361 34.372 36.113 1.00 9.18 C +ATOM 52 CD1 TYR A 7 14.024 33.362 35.415 1.00 10.95 C +ATOM 53 CD2 TYR A 7 12.000 34.214 36.358 1.00 13.60 C +ATOM 54 CE1 TYR A 7 13.360 32.235 34.965 1.00 4.61 C +ATOM 55 CE2 TYR A 7 11.323 33.091 35.907 1.00 14.71 C +ATOM 56 CZ TYR A 7 12.015 32.108 35.205 1.00 13.70 C +ATOM 57 OH TYR A 7 11.332 31.014 34.723 1.00 19.56 O +ATOM 58 N PHE A 8 17.023 36.626 37.707 1.00 22.00 N +ATOM 59 CA PHE A 8 18.019 37.690 37.838 1.00 23.04 C +ATOM 60 C PHE A 8 18.773 37.812 36.531 1.00 23.46 C +ATOM 61 O PHE A 8 19.397 36.843 36.104 1.00 29.40 O +ATOM 62 CB PHE A 8 19.046 37.348 38.940 1.00 24.06 C +ATOM 63 CG PHE A 8 18.437 37.081 40.292 1.00 21.21 C +ATOM 64 CD1 PHE A 8 17.712 35.910 40.528 1.00 23.44 C +ATOM 65 CD2 PHE A 8 18.557 38.014 41.312 1.00 21.82 C +ATOM 66 CE1 PHE A 8 17.107 35.675 41.738 1.00 18.38 C +ATOM 67 CE2 PHE A 8 17.954 37.792 42.537 1.00 22.16 C +ATOM 68 CZ PHE A 8 17.225 36.616 42.750 1.00 21.60 C +ATOM 69 N PHE A 9 18.769 39.006 35.938 1.00 22.03 N +ATOM 70 CA PHE A 9 19.452 39.264 34.668 1.00 16.03 C +ATOM 71 C PHE A 9 20.526 40.343 34.834 1.00 14.50 C +ATOM 72 O PHE A 9 20.271 41.409 35.407 1.00 16.26 O +ATOM 73 CB PHE A 9 18.444 39.719 33.591 1.00 14.57 C +ATOM 74 CG PHE A 9 17.182 38.907 33.551 1.00 5.50 C +ATOM 75 CD1 PHE A 9 16.102 39.252 34.347 1.00 7.30 C +ATOM 76 CD2 PHE A 9 17.095 37.768 32.765 1.00 7.34 C +ATOM 77 CE1 PHE A 9 14.940 38.466 34.377 1.00 11.31 C +ATOM 78 CE2 PHE A 9 15.941 36.971 32.781 1.00 11.82 C +ATOM 79 CZ PHE A 9 14.860 37.325 33.594 1.00 11.17 C +ATOM 80 N THR A 10 21.704 40.098 34.277 1.00 16.39 N +ATOM 81 CA THR A 10 22.802 41.053 34.351 1.00 19.16 C +ATOM 82 C THR A 10 23.370 41.301 32.960 1.00 19.42 C +ATOM 83 O THR A 10 23.746 40.353 32.286 1.00 21.21 O +ATOM 84 CB THR A 10 23.968 40.493 35.153 1.00 24.53 C +ATOM 85 OG1 THR A 10 23.483 39.882 36.359 1.00 26.59 O +ATOM 86 CG2 THR A 10 24.989 41.603 35.440 1.00 17.04 C +ATOM 87 N SER A 11 23.486 42.563 32.560 1.00 20.30 N +ATOM 88 CA SER A 11 24.042 42.898 31.256 1.00 22.34 C +ATOM 89 C SER A 11 25.107 43.970 31.458 1.00 24.84 C +ATOM 90 O SER A 11 24.810 45.040 31.987 1.00 30.15 O +ATOM 91 CB SER A 11 22.947 43.428 30.333 1.00 24.62 C +ATOM 92 OG SER A 11 21.802 42.590 30.342 1.00 34.40 O +ATOM 93 N VAL A 12 26.340 43.681 31.049 1.00 23.53 N +ATOM 94 CA VAL A 12 27.453 44.626 31.192 1.00 23.03 C +ATOM 95 C VAL A 12 27.963 44.977 29.803 1.00 24.70 C +ATOM 96 O VAL A 12 28.375 44.085 29.063 1.00 26.12 O +ATOM 97 CB VAL A 12 28.609 43.987 31.995 1.00 18.38 C +ATOM 98 CG1 VAL A 12 29.717 44.988 32.223 1.00 12.47 C +ATOM 99 CG2 VAL A 12 28.086 43.433 33.310 1.00 16.08 C +ATOM 100 N SER A 13 27.933 46.257 29.438 1.00 26.57 N +ATOM 101 CA SER A 13 28.386 46.643 28.108 1.00 29.56 C +ATOM 102 C SER A 13 29.875 46.457 27.952 1.00 35.03 C +ATOM 103 O SER A 13 30.624 46.593 28.912 1.00 42.26 O +ATOM 104 CB SER A 13 27.995 48.081 27.778 1.00 26.98 C +ATOM 105 OG SER A 13 28.518 48.984 28.720 1.00 31.08 O +ATOM 106 N ARG A 14 30.289 46.094 26.745 1.00 42.39 N +ATOM 107 CA ARG A 14 31.698 45.888 26.428 1.00 44.38 C +ATOM 108 C ARG A 14 32.098 46.815 25.270 1.00 50.05 C +ATOM 109 O ARG A 14 32.376 46.340 24.166 1.00 53.69 O +ATOM 110 CB ARG A 14 31.954 44.427 26.022 1.00 44.62 C +ATOM 111 CG ARG A 14 31.972 43.409 27.159 1.00 45.50 C +ATOM 112 CD ARG A 14 32.425 42.022 26.673 1.00 43.56 C +ATOM 113 NE ARG A 14 31.427 41.352 25.843 1.00 43.48 N +ATOM 114 CZ ARG A 14 31.033 40.089 26.015 1.00 48.73 C +ATOM 115 NH1 ARG A 14 31.561 39.350 26.983 1.00 49.25 N +ATOM 116 NH2 ARG A 14 30.074 39.574 25.252 1.00 48.46 N +ATOM 117 N PRO A 15 32.114 48.145 25.489 1.00 51.51 N +ATOM 118 CA PRO A 15 32.486 49.094 24.439 1.00 52.13 C +ATOM 119 C PRO A 15 33.784 48.666 23.761 1.00 56.74 C +ATOM 120 O PRO A 15 34.807 48.461 24.425 1.00 59.25 O +ATOM 121 CB PRO A 15 32.652 50.397 25.206 1.00 49.56 C +ATOM 122 CG PRO A 15 31.610 50.279 26.240 1.00 51.03 C +ATOM 123 CD PRO A 15 31.828 48.876 26.742 1.00 54.88 C +ATOM 124 N GLY A 16 33.718 48.488 22.446 1.00 57.42 N +ATOM 125 CA GLY A 16 34.878 48.057 21.695 1.00 53.72 C +ATOM 126 C GLY A 16 34.950 46.547 21.740 1.00 53.83 C +ATOM 127 O GLY A 16 34.641 45.887 20.750 1.00 57.53 O +ATOM 128 N ARG A 17 35.217 46.008 22.928 1.00 51.55 N +ATOM 129 CA ARG A 17 35.343 44.570 23.110 1.00 48.60 C +ATOM 130 C ARG A 17 34.237 43.654 22.601 1.00 49.46 C +ATOM 131 O ARG A 17 34.409 42.440 22.596 1.00 52.87 O +ATOM 132 N GLY A 18 33.101 44.202 22.191 1.00 50.17 N +ATOM 133 CA GLY A 18 32.030 43.353 21.700 1.00 47.25 C +ATOM 134 C GLY A 18 30.674 43.640 22.318 1.00 51.51 C +ATOM 135 O GLY A 18 30.496 44.607 23.073 1.00 53.39 O +ATOM 136 N GLU A 19 29.703 42.793 21.997 1.00 49.26 N +ATOM 137 CA GLU A 19 28.355 42.949 22.523 1.00 49.09 C +ATOM 138 C GLU A 19 28.302 42.742 24.031 1.00 47.80 C +ATOM 139 O GLU A 19 29.114 42.013 24.592 1.00 53.14 O +ATOM 140 CB GLU A 19 27.411 41.974 21.828 1.00 51.79 C +ATOM 141 CG GLU A 19 27.162 42.330 20.370 1.00 62.99 C +ATOM 142 CD GLU A 19 26.483 43.690 20.196 1.00 69.06 C +ATOM 143 OE1 GLU A 19 27.171 44.742 20.199 1.00 67.63 O +ATOM 144 OE2 GLU A 19 25.245 43.700 20.045 1.00 72.50 O +ATOM 145 N PRO A 20 27.376 43.409 24.718 1.00 41.81 N +ATOM 146 CA PRO A 20 27.296 43.232 26.163 1.00 36.55 C +ATOM 147 C PRO A 20 27.115 41.785 26.656 1.00 37.94 C +ATOM 148 O PRO A 20 26.358 41.000 26.074 1.00 41.17 O +ATOM 149 CB PRO A 20 26.109 44.120 26.553 1.00 38.30 C +ATOM 150 CG PRO A 20 25.341 44.311 25.269 1.00 34.04 C +ATOM 151 CD PRO A 20 26.433 44.453 24.269 1.00 38.07 C +ATOM 152 N ARG A 21 27.833 41.455 27.730 1.00 40.05 N +ATOM 153 CA ARG A 21 27.775 40.150 28.395 1.00 33.33 C +ATOM 154 C ARG A 21 26.432 40.091 29.111 1.00 31.91 C +ATOM 155 O ARG A 21 26.098 40.989 29.886 1.00 35.32 O +ATOM 156 CB ARG A 21 28.897 40.058 29.430 1.00 37.85 C +ATOM 157 CG ARG A 21 28.866 38.828 30.347 1.00 40.51 C +ATOM 158 CD ARG A 21 29.230 37.570 29.596 1.00 38.75 C +ATOM 159 NE ARG A 21 29.416 36.407 30.460 1.00 34.99 N +ATOM 160 CZ ARG A 21 30.569 36.071 31.036 1.00 37.74 C +ATOM 161 NH1 ARG A 21 31.652 36.822 30.860 1.00 32.65 N +ATOM 162 NH2 ARG A 21 30.657 34.928 31.715 1.00 32.38 N +ATOM 163 N PHE A 22 25.683 39.025 28.880 1.00 27.20 N +ATOM 164 CA PHE A 22 24.368 38.873 29.479 1.00 20.19 C +ATOM 165 C PHE A 22 24.239 37.529 30.159 1.00 19.55 C +ATOM 166 O PHE A 22 24.464 36.495 29.527 1.00 23.56 O +ATOM 167 CB PHE A 22 23.294 38.989 28.384 1.00 20.50 C +ATOM 168 CG PHE A 22 21.897 38.679 28.854 1.00 18.82 C +ATOM 169 CD1 PHE A 22 21.182 39.599 29.610 1.00 13.47 C +ATOM 170 CD2 PHE A 22 21.299 37.458 28.550 1.00 18.96 C +ATOM 171 CE1 PHE A 22 19.904 39.307 30.057 1.00 15.08 C +ATOM 172 CE2 PHE A 22 20.002 37.153 29.000 1.00 12.72 C +ATOM 173 CZ PHE A 22 19.311 38.076 29.750 1.00 13.06 C +ATOM 174 N ILE A 23 23.907 37.537 31.447 1.00 18.07 N +ATOM 175 CA ILE A 23 23.695 36.287 32.180 1.00 15.65 C +ATOM 176 C ILE A 23 22.308 36.336 32.762 1.00 14.04 C +ATOM 177 O ILE A 23 21.881 37.390 33.236 1.00 20.07 O +ATOM 178 CB ILE A 23 24.633 36.115 33.357 1.00 16.38 C +ATOM 179 CG1 ILE A 23 26.075 36.376 32.934 1.00 17.20 C +ATOM 180 CG2 ILE A 23 24.445 34.717 33.942 1.00 15.36 C +ATOM 181 CD1 ILE A 23 26.963 35.158 32.995 1.00 21.90 C +ATOM 182 N ALA A 24 21.595 35.221 32.725 1.00 11.52 N +ATOM 183 CA ALA A 24 20.253 35.186 33.278 1.00 12.55 C +ATOM 184 C ALA A 24 20.118 33.894 34.022 1.00 20.69 C +ATOM 185 O ALA A 24 20.422 32.840 33.465 1.00 23.59 O +ATOM 186 CB ALA A 24 19.232 35.255 32.201 1.00 14.51 C +ATOM 187 N VAL A 25 19.666 33.974 35.274 1.00 18.90 N +ATOM 188 CA VAL A 25 19.497 32.802 36.122 1.00 15.98 C +ATOM 189 C VAL A 25 18.157 32.874 36.809 1.00 10.42 C +ATOM 190 O VAL A 25 17.650 33.957 37.082 1.00 15.26 O +ATOM 191 CB VAL A 25 20.584 32.748 37.198 1.00 20.49 C +ATOM 192 CG1 VAL A 25 21.969 32.764 36.551 1.00 15.56 C +ATOM 193 CG2 VAL A 25 20.435 33.924 38.136 1.00 23.96 C +ATOM 194 N GLY A 26 17.575 31.719 37.069 1.00 8.43 N +ATOM 195 CA GLY A 26 16.280 31.672 37.722 1.00 16.15 C +ATOM 196 C GLY A 26 16.376 30.751 38.921 1.00 20.96 C +ATOM 197 O GLY A 26 17.091 29.738 38.871 1.00 22.37 O +ATOM 198 N TYR A 27 15.646 31.077 39.985 1.00 23.00 N +ATOM 199 CA TYR A 27 15.677 30.303 41.219 1.00 17.59 C +ATOM 200 C TYR A 27 14.298 30.033 41.750 1.00 18.26 C +ATOM 201 O TYR A 27 13.381 30.826 41.544 1.00 22.25 O +ATOM 202 CB TYR A 27 16.387 31.097 42.312 1.00 12.68 C +ATOM 203 CG TYR A 27 17.889 31.252 42.200 1.00 18.20 C +ATOM 204 CD1 TYR A 27 18.742 30.341 42.811 1.00 20.67 C +ATOM 205 CD2 TYR A 27 18.456 32.359 41.574 1.00 18.42 C +ATOM 206 CE1 TYR A 27 20.119 30.522 42.813 1.00 22.25 C +ATOM 207 CE2 TYR A 27 19.843 32.554 41.570 1.00 21.04 C +ATOM 208 CZ TYR A 27 20.667 31.626 42.198 1.00 28.81 C +ATOM 209 OH TYR A 27 22.042 31.795 42.228 1.00 35.88 O +ATOM 210 N VAL A 28 14.130 28.869 42.355 1.00 22.92 N +ATOM 211 CA VAL A 28 12.886 28.550 43.049 1.00 28.30 C +ATOM 212 C VAL A 28 13.475 28.444 44.455 1.00 29.54 C +ATOM 213 O VAL A 28 14.344 27.602 44.697 1.00 29.29 O +ATOM 214 CB VAL A 28 12.267 27.221 42.640 1.00 30.35 C +ATOM 215 CG1 VAL A 28 11.057 26.923 43.526 1.00 29.77 C +ATOM 216 CG2 VAL A 28 11.821 27.290 41.211 1.00 36.57 C +ATOM 217 N ASP A 29 13.102 29.375 45.331 1.00 32.00 N +ATOM 218 CA ASP A 29 13.633 29.444 46.693 1.00 33.96 C +ATOM 219 C ASP A 29 15.147 29.648 46.553 1.00 35.29 C +ATOM 220 O ASP A 29 15.578 30.446 45.726 1.00 34.84 O +ATOM 221 CB ASP A 29 13.300 28.183 47.519 1.00 34.44 C +ATOM 222 CG ASP A 29 11.831 28.080 47.874 1.00 30.08 C +ATOM 223 OD1 ASP A 29 11.179 29.135 47.998 1.00 34.17 O +ATOM 224 OD2 ASP A 29 11.330 26.944 48.041 1.00 26.25 O +ATOM 225 N ASP A 30 15.950 28.895 47.302 1.00 40.57 N +ATOM 226 CA ASP A 30 17.405 29.033 47.241 1.00 37.32 C +ATOM 227 C ASP A 30 18.081 28.092 46.239 1.00 34.93 C +ATOM 228 O ASP A 30 19.313 27.993 46.198 1.00 29.46 O +ATOM 229 CB ASP A 30 18.001 28.870 48.643 1.00 40.56 C +ATOM 230 CG ASP A 30 17.486 29.928 49.625 1.00 49.56 C +ATOM 231 OD1 ASP A 30 17.520 31.129 49.278 1.00 51.86 O +ATOM 232 OD2 ASP A 30 17.038 29.565 50.737 1.00 47.57 O +ATOM 233 N THR A 31 17.275 27.438 45.407 1.00 34.99 N +ATOM 234 CA THR A 31 17.787 26.510 44.394 1.00 40.46 C +ATOM 235 C THR A 31 17.714 27.108 42.989 1.00 41.06 C +ATOM 236 O THR A 31 16.632 27.504 42.535 1.00 44.58 O +ATOM 237 CB THR A 31 16.982 25.183 44.391 1.00 43.01 C +ATOM 238 OG1 THR A 31 17.063 24.570 45.686 1.00 52.83 O +ATOM 239 CG2 THR A 31 17.527 24.210 43.333 1.00 44.63 C +ATOM 240 N GLN A 32 18.860 27.179 42.310 1.00 37.51 N +ATOM 241 CA GLN A 32 18.929 27.698 40.944 1.00 36.53 C +ATOM 242 C GLN A 32 18.428 26.572 40.050 1.00 37.64 C +ATOM 243 O GLN A 32 18.769 25.410 40.287 1.00 40.58 O +ATOM 244 CB GLN A 32 20.377 28.041 40.574 1.00 38.36 C +ATOM 245 CG GLN A 32 20.532 28.857 39.286 1.00 42.36 C +ATOM 246 CD GLN A 32 21.960 28.852 38.701 1.00 41.79 C +ATOM 247 OE1 GLN A 32 22.928 28.445 39.346 1.00 40.63 O +ATOM 248 NE2 GLN A 32 22.077 29.295 37.460 1.00 42.96 N +ATOM 249 N PHE A 33 17.576 26.889 39.076 1.00 36.33 N +ATOM 250 CA PHE A 33 17.068 25.844 38.187 1.00 35.51 C +ATOM 251 C PHE A 33 17.341 25.998 36.690 1.00 35.42 C +ATOM 252 O PHE A 33 17.452 24.988 35.986 1.00 36.39 O +ATOM 253 CB PHE A 33 15.587 25.541 38.437 1.00 25.06 C +ATOM 254 CG PHE A 33 14.650 26.663 38.096 1.00 32.16 C +ATOM 255 CD1 PHE A 33 14.749 27.899 38.721 1.00 36.50 C +ATOM 256 CD2 PHE A 33 13.614 26.459 37.200 1.00 29.79 C +ATOM 257 CE1 PHE A 33 13.821 28.912 38.458 1.00 31.40 C +ATOM 258 CE2 PHE A 33 12.690 27.465 36.935 1.00 23.87 C +ATOM 259 CZ PHE A 33 12.792 28.688 37.565 1.00 23.38 C +ATOM 260 N VAL A 34 17.427 27.239 36.203 1.00 30.95 N +ATOM 261 CA VAL A 34 17.699 27.498 34.787 1.00 25.15 C +ATOM 262 C VAL A 34 18.741 28.591 34.619 1.00 22.93 C +ATOM 263 O VAL A 34 18.996 29.365 35.545 1.00 17.79 O +ATOM 264 CB VAL A 34 16.411 27.865 33.962 1.00 23.77 C +ATOM 265 CG1 VAL A 34 15.442 26.678 33.905 1.00 19.68 C +ATOM 266 CG2 VAL A 34 15.722 29.119 34.518 1.00 21.35 C +ATOM 267 N ARG A 35 19.363 28.633 33.444 1.00 26.65 N +ATOM 268 CA ARG A 35 20.378 29.636 33.163 1.00 28.90 C +ATOM 269 C ARG A 35 20.497 29.986 31.683 1.00 28.02 C +ATOM 270 O ARG A 35 19.862 29.372 30.827 1.00 32.32 O +ATOM 271 CB ARG A 35 21.747 29.197 33.712 1.00 32.70 C +ATOM 272 CG ARG A 35 22.521 28.222 32.849 1.00 29.88 C +ATOM 273 CD ARG A 35 23.859 28.813 32.453 1.00 41.92 C +ATOM 274 NE ARG A 35 24.652 27.881 31.654 1.00 58.32 N +ATOM 275 CZ ARG A 35 25.706 27.202 32.103 1.00 64.57 C +ATOM 276 NH1 ARG A 35 26.117 27.350 33.356 1.00 72.71 N +ATOM 277 NH2 ARG A 35 26.326 26.334 31.310 1.00 65.94 N +ATOM 278 N PHE A 36 21.306 31.002 31.409 1.00 24.55 N +ATOM 279 CA PHE A 36 21.567 31.490 30.069 1.00 20.61 C +ATOM 280 C PHE A 36 22.727 32.458 30.147 1.00 15.72 C +ATOM 281 O PHE A 36 22.738 33.359 30.973 1.00 22.24 O +ATOM 282 CB PHE A 36 20.349 32.220 29.463 1.00 25.29 C +ATOM 283 CG PHE A 36 20.592 32.731 28.062 1.00 29.57 C +ATOM 284 CD1 PHE A 36 21.223 33.952 27.854 1.00 29.54 C +ATOM 285 CD2 PHE A 36 20.308 31.936 26.957 1.00 30.17 C +ATOM 286 CE1 PHE A 36 21.579 34.362 26.578 1.00 29.80 C +ATOM 287 CE2 PHE A 36 20.663 32.347 25.676 1.00 28.38 C +ATOM 288 CZ PHE A 36 21.301 33.559 25.491 1.00 24.32 C +ATOM 289 N ASP A 37 23.665 32.301 29.228 1.00 23.18 N +ATOM 290 CA ASP A 37 24.837 33.148 29.145 1.00 21.15 C +ATOM 291 C ASP A 37 25.169 33.392 27.683 1.00 28.21 C +ATOM 292 O ASP A 37 25.277 32.449 26.883 1.00 25.82 O +ATOM 293 CB ASP A 37 26.024 32.476 29.819 1.00 26.51 C +ATOM 294 CG ASP A 37 27.247 33.353 29.841 1.00 28.93 C +ATOM 295 OD1 ASP A 37 27.112 34.587 29.718 1.00 30.72 O +ATOM 296 OD2 ASP A 37 28.354 32.810 30.000 1.00 39.78 O +ATOM 297 N SER A 38 25.303 34.669 27.346 1.00 29.99 N +ATOM 298 CA SER A 38 25.627 35.104 25.999 1.00 26.96 C +ATOM 299 C SER A 38 26.985 34.587 25.518 1.00 29.42 C +ATOM 300 O SER A 38 27.174 34.355 24.324 1.00 37.57 O +ATOM 301 CB SER A 38 25.585 36.637 25.921 1.00 27.82 C +ATOM 302 OG SER A 38 26.576 37.239 26.738 1.00 29.18 O +ATOM 303 N ASP A 39 27.940 34.446 26.430 1.00 30.58 N +ATOM 304 CA ASP A 39 29.269 33.954 26.065 1.00 29.36 C +ATOM 305 C ASP A 39 29.406 32.428 26.103 1.00 32.42 C +ATOM 306 O ASP A 39 30.497 31.892 25.936 1.00 30.64 O +ATOM 307 CB ASP A 39 30.354 34.626 26.913 1.00 29.36 C +ATOM 308 CG ASP A 39 30.565 36.104 26.544 1.00 37.38 C +ATOM 309 OD1 ASP A 39 29.599 36.788 26.129 1.00 42.64 O +ATOM 310 OD2 ASP A 39 31.708 36.591 26.676 1.00 35.37 O +ATOM 311 N ALA A 40 28.299 31.730 26.339 1.00 36.12 N +ATOM 312 CA ALA A 40 28.305 30.267 26.358 1.00 39.54 C +ATOM 313 C ALA A 40 28.159 29.796 24.912 1.00 40.75 C +ATOM 314 O ALA A 40 27.886 30.597 24.009 1.00 47.14 O +ATOM 315 CB ALA A 40 27.148 29.721 27.221 1.00 39.01 C +ATOM 316 N ALA A 41 28.302 28.496 24.692 1.00 37.75 N +ATOM 317 CA ALA A 41 28.199 27.954 23.349 1.00 35.64 C +ATOM 318 C ALA A 41 26.766 27.721 22.862 1.00 37.61 C +ATOM 319 O ALA A 41 26.393 28.149 21.771 1.00 45.05 O +ATOM 320 CB ALA A 41 29.007 26.674 23.242 1.00 28.93 C +ATOM 321 N SER A 42 25.935 27.138 23.711 1.00 36.93 N +ATOM 322 CA SER A 42 24.567 26.792 23.334 1.00 36.62 C +ATOM 323 C SER A 42 23.597 27.816 22.783 1.00 38.55 C +ATOM 324 O SER A 42 22.772 27.469 21.933 1.00 40.37 O +ATOM 325 CB SER A 42 23.872 26.060 24.483 1.00 40.66 C +ATOM 326 OG SER A 42 23.883 26.843 25.662 1.00 47.64 O +ATOM 327 N GLN A 43 23.649 29.045 23.297 1.00 38.97 N +ATOM 328 CA GLN A 43 22.706 30.109 22.910 1.00 33.05 C +ATOM 329 C GLN A 43 21.277 29.652 23.206 1.00 33.87 C +ATOM 330 O GLN A 43 20.325 30.065 22.536 1.00 35.54 O +ATOM 331 CB GLN A 43 22.831 30.492 21.442 1.00 28.08 C +ATOM 332 CG GLN A 43 24.164 31.096 21.105 1.00 34.29 C +ATOM 333 CD GLN A 43 24.472 32.333 21.923 1.00 35.10 C +ATOM 334 OE1 GLN A 43 23.740 33.331 21.856 1.00 37.56 O +ATOM 335 NE2 GLN A 43 25.567 32.286 22.690 1.00 21.44 N +ATOM 336 N ARG A 44 21.148 28.827 24.246 1.00 32.15 N +ATOM 337 CA ARG A 44 19.870 28.289 24.676 1.00 31.01 C +ATOM 338 C ARG A 44 19.760 28.333 26.173 1.00 29.58 C +ATOM 339 O ARG A 44 20.776 28.412 26.858 1.00 36.76 O +ATOM 340 CB ARG A 44 19.737 26.845 24.229 1.00 30.97 C +ATOM 341 CG ARG A 44 19.373 26.721 22.795 1.00 28.07 C +ATOM 342 CD ARG A 44 19.247 25.295 22.439 1.00 31.90 C +ATOM 343 NE ARG A 44 18.053 24.647 22.977 1.00 36.63 N +ATOM 344 CZ ARG A 44 16.798 25.027 22.734 1.00 35.92 C +ATOM 345 NH1 ARG A 44 16.532 26.084 21.971 1.00 28.06 N +ATOM 346 NH2 ARG A 44 15.799 24.263 23.149 1.00 34.22 N +ATOM 347 N MET A 45 18.525 28.340 26.669 1.00 31.42 N +ATOM 348 CA MET A 45 18.253 28.337 28.109 1.00 29.72 C +ATOM 349 C MET A 45 18.633 26.939 28.570 1.00 30.58 C +ATOM 350 O MET A 45 18.141 25.962 28.013 1.00 39.07 O +ATOM 351 CB MET A 45 16.764 28.542 28.358 1.00 31.31 C +ATOM 352 CG MET A 45 16.386 28.525 29.808 1.00 26.87 C +ATOM 353 SD MET A 45 17.001 30.016 30.573 1.00 30.14 S +ATOM 354 CE MET A 45 15.531 30.860 30.685 1.00 17.84 C +ATOM 355 N GLU A 46 19.499 26.817 29.562 1.00 27.36 N +ATOM 356 CA GLU A 46 19.902 25.492 29.998 1.00 26.29 C +ATOM 357 C GLU A 46 19.382 25.094 31.380 1.00 30.98 C +ATOM 358 O GLU A 46 19.167 25.948 32.247 1.00 30.08 O +ATOM 359 CB GLU A 46 21.422 25.388 29.959 1.00 24.65 C +ATOM 360 CG GLU A 46 22.028 25.628 28.602 1.00 30.21 C +ATOM 361 CD GLU A 46 23.506 25.949 28.679 1.00 36.56 C +ATOM 362 OE1 GLU A 46 24.316 25.003 28.668 1.00 45.02 O +ATOM 363 OE2 GLU A 46 23.859 27.150 28.745 1.00 42.72 O +ATOM 364 N PRO A 47 19.140 23.782 31.587 1.00 32.34 N +ATOM 365 CA PRO A 47 18.653 23.250 32.860 1.00 30.87 C +ATOM 366 C PRO A 47 19.814 23.183 33.835 1.00 34.24 C +ATOM 367 O PRO A 47 20.886 22.667 33.503 1.00 35.01 O +ATOM 368 CB PRO A 47 18.231 21.822 32.510 1.00 26.82 C +ATOM 369 CG PRO A 47 18.192 21.786 31.016 1.00 37.54 C +ATOM 370 CD PRO A 47 19.285 22.701 30.604 1.00 31.55 C +ATOM 371 N ARG A 48 19.620 23.742 35.022 1.00 38.71 N +ATOM 372 CA ARG A 48 20.643 23.697 36.051 1.00 41.68 C +ATOM 373 C ARG A 48 20.099 22.990 37.294 1.00 41.02 C +ATOM 374 O ARG A 48 20.711 23.031 38.360 1.00 45.65 O +ATOM 375 CB ARG A 48 21.194 25.091 36.359 1.00 40.09 C +ATOM 376 CG ARG A 48 22.081 25.636 35.250 1.00 42.60 C +ATOM 377 CD ARG A 48 23.485 25.945 35.735 1.00 50.49 C +ATOM 378 NE ARG A 48 24.393 24.805 35.638 1.00 62.37 N +ATOM 379 CZ ARG A 48 25.710 24.876 35.843 1.00 76.10 C +ATOM 380 NH1 ARG A 48 26.282 26.033 36.163 1.00 78.36 N +ATOM 381 NH2 ARG A 48 26.471 23.791 35.717 1.00 85.21 N +ATOM 382 N ALA A 49 18.972 22.301 37.114 1.00 40.11 N +ATOM 383 CA ALA A 49 18.313 21.525 38.163 1.00 41.93 C +ATOM 384 C ALA A 49 17.722 20.266 37.516 1.00 42.94 C +ATOM 385 O ALA A 49 17.093 20.347 36.474 1.00 46.35 O +ATOM 386 CB ALA A 49 17.215 22.345 38.817 1.00 50.28 C +ATOM 387 N PRO A 50 17.866 19.098 38.154 1.00 46.61 N +ATOM 388 CA PRO A 50 17.345 17.840 37.609 1.00 44.57 C +ATOM 389 C PRO A 50 15.843 17.787 37.389 1.00 40.45 C +ATOM 390 O PRO A 50 15.377 17.118 36.482 1.00 48.48 O +ATOM 391 CB PRO A 50 17.777 16.808 38.652 1.00 48.77 C +ATOM 392 CG PRO A 50 18.998 17.430 39.269 1.00 53.65 C +ATOM 393 CD PRO A 50 18.538 18.853 39.443 1.00 53.12 C +ATOM 394 N TRP A 51 15.085 18.493 38.211 1.00 38.26 N +ATOM 395 CA TRP A 51 13.630 18.480 38.087 1.00 35.29 C +ATOM 396 C TRP A 51 13.122 19.224 36.870 1.00 33.17 C +ATOM 397 O TRP A 51 12.050 18.909 36.358 1.00 34.11 O +ATOM 398 CB TRP A 51 12.955 19.002 39.373 1.00 41.75 C +ATOM 399 CG TRP A 51 13.607 20.228 40.030 1.00 43.84 C +ATOM 400 CD1 TRP A 51 14.737 20.247 40.807 1.00 42.92 C +ATOM 401 CD2 TRP A 51 13.144 21.584 39.972 1.00 44.75 C +ATOM 402 NE1 TRP A 51 15.003 21.526 41.227 1.00 44.81 N +ATOM 403 CE2 TRP A 51 14.042 22.367 40.732 1.00 44.64 C +ATOM 404 CE3 TRP A 51 12.060 22.217 39.347 1.00 47.01 C +ATOM 405 CZ2 TRP A 51 13.887 23.751 40.886 1.00 44.41 C +ATOM 406 CZ3 TRP A 51 11.908 23.595 39.499 1.00 45.53 C +ATOM 407 CH2 TRP A 51 12.816 24.343 40.264 1.00 43.36 C +ATOM 408 N ILE A 52 13.909 20.195 36.402 1.00 36.63 N +ATOM 409 CA ILE A 52 13.555 21.013 35.235 1.00 33.67 C +ATOM 410 C ILE A 52 13.915 20.269 33.960 1.00 34.30 C +ATOM 411 O ILE A 52 13.266 20.448 32.941 1.00 38.39 O +ATOM 412 CB ILE A 52 14.247 22.433 35.272 1.00 26.94 C +ATOM 413 CG1 ILE A 52 13.459 23.449 34.450 1.00 23.30 C +ATOM 414 CG2 ILE A 52 15.631 22.387 34.668 1.00 22.58 C +ATOM 415 CD1 ILE A 52 11.972 23.482 34.758 1.00 23.38 C +ATOM 416 N GLU A 53 14.906 19.384 34.047 1.00 36.96 N +ATOM 417 CA GLU A 53 15.352 18.597 32.901 1.00 38.95 C +ATOM 418 C GLU A 53 14.222 17.809 32.264 1.00 39.99 C +ATOM 419 O GLU A 53 14.282 17.493 31.083 1.00 48.15 O +ATOM 420 CB GLU A 53 16.472 17.635 33.293 1.00 35.63 C +ATOM 421 CG GLU A 53 17.784 18.302 33.664 1.00 43.82 C +ATOM 422 CD GLU A 53 18.904 17.302 33.925 1.00 53.25 C +ATOM 423 OE1 GLU A 53 18.618 16.170 34.380 1.00 54.68 O +ATOM 424 OE2 GLU A 53 20.083 17.650 33.679 1.00 60.20 O +ATOM 425 N GLN A 54 13.194 17.491 33.041 1.00 42.37 N +ATOM 426 CA GLN A 54 12.070 16.742 32.506 1.00 43.57 C +ATOM 427 C GLN A 54 11.171 17.556 31.584 1.00 49.25 C +ATOM 428 O GLN A 54 10.396 16.979 30.811 1.00 52.66 O +ATOM 429 N GLU A 55 11.291 18.886 31.633 1.00 50.17 N +ATOM 430 CA GLU A 55 10.468 19.782 30.813 1.00 46.06 C +ATOM 431 C GLU A 55 10.680 19.614 29.315 1.00 46.45 C +ATOM 432 O GLU A 55 11.813 19.528 28.832 1.00 43.58 O +ATOM 433 CB GLU A 55 10.681 21.242 31.220 1.00 44.75 C +ATOM 434 CG GLU A 55 10.028 21.641 32.559 1.00 48.92 C +ATOM 435 CD GLU A 55 8.511 21.808 32.484 1.00 50.67 C +ATOM 436 OE1 GLU A 55 7.977 22.001 31.371 1.00 57.20 O +ATOM 437 OE2 GLU A 55 7.844 21.752 33.542 1.00 45.78 O +ATOM 438 N GLY A 56 9.568 19.609 28.589 1.00 46.88 N +ATOM 439 CA GLY A 56 9.604 19.432 27.151 1.00 51.13 C +ATOM 440 C GLY A 56 10.482 20.396 26.371 1.00 50.85 C +ATOM 441 O GLY A 56 10.816 21.486 26.855 1.00 52.06 O +ATOM 442 N PRO A 57 10.834 20.031 25.127 1.00 49.18 N +ATOM 443 CA PRO A 57 11.672 20.814 24.212 1.00 44.35 C +ATOM 444 C PRO A 57 11.017 22.154 23.919 1.00 38.70 C +ATOM 445 O PRO A 57 11.692 23.166 23.757 1.00 36.98 O +ATOM 446 CB PRO A 57 11.713 19.939 22.962 1.00 49.11 C +ATOM 447 CG PRO A 57 11.522 18.552 23.506 1.00 52.68 C +ATOM 448 CD PRO A 57 10.421 18.768 24.496 1.00 50.32 C +ATOM 449 N GLU A 58 9.692 22.154 23.887 1.00 36.33 N +ATOM 450 CA GLU A 58 8.934 23.373 23.630 1.00 42.64 C +ATOM 451 C GLU A 58 9.244 24.382 24.714 1.00 39.91 C +ATOM 452 O GLU A 58 9.255 25.580 24.458 1.00 43.48 O +ATOM 453 CB GLU A 58 7.435 23.095 23.651 1.00 45.02 C +ATOM 454 CG GLU A 58 6.991 21.993 22.720 1.00 60.35 C +ATOM 455 CD GLU A 58 5.971 21.093 23.372 1.00 70.00 C +ATOM 456 OE1 GLU A 58 5.069 21.620 24.071 1.00 80.76 O +ATOM 457 OE2 GLU A 58 6.087 19.858 23.207 1.00 72.53 O +ATOM 458 N TYR A 59 9.469 23.876 25.925 1.00 35.36 N +ATOM 459 CA TYR A 59 9.782 24.700 27.078 1.00 25.10 C +ATOM 460 C TYR A 59 11.122 25.321 26.790 1.00 21.33 C +ATOM 461 O TYR A 59 11.272 26.533 26.807 1.00 19.44 O +ATOM 462 CB TYR A 59 9.836 23.833 28.351 1.00 27.66 C +ATOM 463 CG TYR A 59 10.236 24.565 29.618 1.00 22.66 C +ATOM 464 CD1 TYR A 59 11.578 24.723 29.950 1.00 20.27 C +ATOM 465 CD2 TYR A 59 9.270 25.099 30.481 1.00 22.30 C +ATOM 466 CE1 TYR A 59 11.962 25.388 31.096 1.00 27.55 C +ATOM 467 CE2 TYR A 59 9.640 25.771 31.643 1.00 28.35 C +ATOM 468 CZ TYR A 59 10.998 25.916 31.948 1.00 33.11 C +ATOM 469 OH TYR A 59 11.410 26.584 33.092 1.00 30.35 O +ATOM 470 N TRP A 60 12.084 24.496 26.428 1.00 18.53 N +ATOM 471 CA TRP A 60 13.396 25.038 26.154 1.00 26.41 C +ATOM 472 C TRP A 60 13.425 25.977 24.946 1.00 34.71 C +ATOM 473 O TRP A 60 14.136 26.983 24.952 1.00 33.69 O +ATOM 474 CB TRP A 60 14.407 23.903 26.063 1.00 30.96 C +ATOM 475 CG TRP A 60 14.394 23.085 27.319 1.00 33.16 C +ATOM 476 CD1 TRP A 60 13.908 21.825 27.482 1.00 26.08 C +ATOM 477 CD2 TRP A 60 14.815 23.525 28.616 1.00 39.52 C +ATOM 478 NE1 TRP A 60 13.993 21.447 28.796 1.00 36.92 N +ATOM 479 CE2 TRP A 60 14.549 22.478 29.515 1.00 36.94 C +ATOM 480 CE3 TRP A 60 15.391 24.706 29.102 1.00 41.12 C +ATOM 481 CZ2 TRP A 60 14.836 22.569 30.869 1.00 35.46 C +ATOM 482 CZ3 TRP A 60 15.679 24.800 30.445 1.00 38.74 C +ATOM 483 CH2 TRP A 60 15.401 23.739 31.314 1.00 41.72 C +ATOM 484 N ASP A 61 12.600 25.692 23.940 1.00 38.54 N +ATOM 485 CA ASP A 61 12.536 26.541 22.756 1.00 35.40 C +ATOM 486 C ASP A 61 11.861 27.842 23.142 1.00 29.07 C +ATOM 487 O ASP A 61 12.388 28.925 22.895 1.00 32.90 O +ATOM 488 CB ASP A 61 11.756 25.865 21.616 1.00 42.39 C +ATOM 489 CG ASP A 61 12.576 24.810 20.869 1.00 46.82 C +ATOM 490 OD1 ASP A 61 13.794 24.672 21.121 1.00 57.94 O +ATOM 491 OD2 ASP A 61 11.993 24.109 20.021 1.00 41.51 O +ATOM 492 N GLY A 62 10.716 27.728 23.793 1.00 23.88 N +ATOM 493 CA GLY A 62 9.987 28.905 24.220 1.00 22.86 C +ATOM 494 C GLY A 62 10.746 29.754 25.218 1.00 22.51 C +ATOM 495 O GLY A 62 10.639 30.979 25.199 1.00 22.37 O +ATOM 496 N GLU A 63 11.527 29.114 26.081 1.00 25.30 N +ATOM 497 CA GLU A 63 12.281 29.847 27.088 1.00 26.05 C +ATOM 498 C GLU A 63 13.535 30.464 26.523 1.00 21.96 C +ATOM 499 O GLU A 63 13.993 31.504 27.006 1.00 23.40 O +ATOM 500 CB GLU A 63 12.602 28.974 28.305 1.00 28.62 C +ATOM 501 CG GLU A 63 11.369 28.614 29.138 1.00 22.01 C +ATOM 502 CD GLU A 63 10.547 29.827 29.579 1.00 29.44 C +ATOM 503 OE1 GLU A 63 10.957 30.483 30.554 1.00 24.58 O +ATOM 504 OE2 GLU A 63 9.474 30.108 28.983 1.00 23.29 O +ATOM 505 N THR A 64 14.098 29.826 25.506 1.00 21.53 N +ATOM 506 CA THR A 64 15.289 30.368 24.862 1.00 21.34 C +ATOM 507 C THR A 64 14.915 31.671 24.155 1.00 19.70 C +ATOM 508 O THR A 64 15.631 32.667 24.242 1.00 22.87 O +ATOM 509 CB THR A 64 15.881 29.394 23.840 1.00 19.96 C +ATOM 510 OG1 THR A 64 16.267 28.174 24.505 1.00 23.07 O +ATOM 511 CG2 THR A 64 17.116 30.029 23.171 1.00 13.96 C +ATOM 512 N ARG A 65 13.754 31.674 23.516 1.00 14.98 N +ATOM 513 CA ARG A 65 13.282 32.850 22.811 1.00 16.54 C +ATOM 514 C ARG A 65 13.127 34.008 23.784 1.00 16.98 C +ATOM 515 O ARG A 65 13.874 34.980 23.720 1.00 23.66 O +ATOM 516 CB ARG A 65 11.951 32.526 22.132 1.00 28.08 C +ATOM 517 CG ARG A 65 11.281 33.682 21.384 1.00 22.73 C +ATOM 518 CD ARG A 65 10.341 33.106 20.381 1.00 16.69 C +ATOM 519 NE ARG A 65 9.604 31.961 20.920 1.00 16.16 N +ATOM 520 CZ ARG A 65 8.528 32.104 21.661 1.00 17.44 C +ATOM 521 NH1 ARG A 65 8.122 33.327 21.923 1.00 23.56 N +ATOM 522 NH2 ARG A 65 7.825 31.063 22.071 1.00 20.58 N +ATOM 523 N LYS A 66 12.174 33.879 24.703 1.00 18.19 N +ATOM 524 CA LYS A 66 11.920 34.891 25.723 1.00 15.38 C +ATOM 525 C LYS A 66 13.201 35.389 26.432 1.00 17.89 C +ATOM 526 O LYS A 66 13.379 36.607 26.635 1.00 22.26 O +ATOM 527 CB LYS A 66 10.984 34.340 26.783 1.00 12.10 C +ATOM 528 CG LYS A 66 9.591 33.921 26.348 1.00 7.79 C +ATOM 529 CD LYS A 66 8.763 33.957 27.641 1.00 24.23 C +ATOM 530 CE LYS A 66 7.687 32.906 27.745 1.00 26.63 C +ATOM 531 NZ LYS A 66 7.767 32.279 29.097 1.00 21.90 N +ATOM 532 N VAL A 67 14.075 34.477 26.855 1.00 15.77 N +ATOM 533 CA VAL A 67 15.303 34.918 27.514 1.00 17.85 C +ATOM 534 C VAL A 67 16.119 35.778 26.541 1.00 18.50 C +ATOM 535 O VAL A 67 16.607 36.848 26.922 1.00 18.90 O +ATOM 536 CB VAL A 67 16.156 33.742 28.075 1.00 13.00 C +ATOM 537 CG1 VAL A 67 17.053 33.170 27.007 1.00 12.53 C +ATOM 538 CG2 VAL A 67 16.998 34.219 29.266 1.00 11.70 C +ATOM 539 N LYS A 68 16.208 35.352 25.276 1.00 19.05 N +ATOM 540 CA LYS A 68 16.947 36.120 24.283 1.00 15.09 C +ATOM 541 C LYS A 68 16.263 37.490 24.133 1.00 14.68 C +ATOM 542 O LYS A 68 16.940 38.510 23.956 1.00 17.18 O +ATOM 543 CB LYS A 68 17.095 35.349 22.963 1.00 15.36 C +ATOM 544 CG LYS A 68 18.549 34.853 22.696 1.00 20.61 C +ATOM 545 CD LYS A 68 18.620 33.488 21.975 1.00 23.59 C +ATOM 546 CE LYS A 68 18.071 33.556 20.552 1.00 35.31 C +ATOM 547 NZ LYS A 68 17.994 32.224 19.865 1.00 40.15 N +ATOM 548 N ALA A 69 14.941 37.531 24.312 1.00 12.73 N +ATOM 549 CA ALA A 69 14.195 38.795 24.272 1.00 10.25 C +ATOM 550 C ALA A 69 14.725 39.670 25.389 1.00 18.46 C +ATOM 551 O ALA A 69 14.998 40.857 25.182 1.00 22.68 O +ATOM 552 CB ALA A 69 12.722 38.563 24.484 1.00 8.79 C +ATOM 553 N HIS A 70 14.900 39.070 26.573 1.00 21.69 N +ATOM 554 CA HIS A 70 15.423 39.789 27.745 1.00 18.52 C +ATOM 555 C HIS A 70 16.806 40.360 27.431 1.00 17.27 C +ATOM 556 O HIS A 70 17.145 41.482 27.834 1.00 19.29 O +ATOM 557 CB HIS A 70 15.489 38.868 28.980 1.00 14.35 C +ATOM 558 CG HIS A 70 14.182 38.724 29.704 1.00 12.05 C +ATOM 559 ND1 HIS A 70 13.157 37.917 29.251 1.00 21.77 N +ATOM 560 CD2 HIS A 70 13.720 39.299 30.838 1.00 15.77 C +ATOM 561 CE1 HIS A 70 12.125 38.003 30.072 1.00 12.38 C +ATOM 562 NE2 HIS A 70 12.440 38.837 31.044 1.00 15.69 N +ATOM 563 N SER A 71 17.592 39.595 26.690 1.00 21.26 N +ATOM 564 CA SER A 71 18.943 40.000 26.296 1.00 24.67 C +ATOM 565 C SER A 71 18.910 41.245 25.424 1.00 26.22 C +ATOM 566 O SER A 71 19.547 42.260 25.745 1.00 27.79 O +ATOM 567 CB SER A 71 19.624 38.859 25.526 1.00 24.84 C +ATOM 568 OG SER A 71 20.997 39.115 25.288 1.00 32.90 O +ATOM 569 N GLN A 72 18.127 41.173 24.346 1.00 28.07 N +ATOM 570 CA GLN A 72 18.005 42.267 23.393 1.00 27.23 C +ATOM 571 C GLN A 72 17.495 43.523 24.076 1.00 24.04 C +ATOM 572 O GLN A 72 17.933 44.636 23.760 1.00 28.12 O +ATOM 573 CB GLN A 72 17.064 41.881 22.242 1.00 32.27 C +ATOM 574 CG GLN A 72 17.073 42.880 21.071 1.00 41.72 C +ATOM 575 CD GLN A 72 18.372 42.833 20.260 1.00 46.90 C +ATOM 576 OE1 GLN A 72 18.670 41.830 19.596 1.00 45.94 O +ATOM 577 NE2 GLN A 72 19.154 43.909 20.324 1.00 41.45 N +ATOM 578 N THR A 73 16.538 43.354 24.978 1.00 19.78 N +ATOM 579 CA THR A 73 15.991 44.490 25.702 1.00 20.69 C +ATOM 580 C THR A 73 17.073 45.225 26.508 1.00 22.64 C +ATOM 581 O THR A 73 17.154 46.457 26.493 1.00 25.09 O +ATOM 582 CB THR A 73 14.859 44.053 26.626 1.00 21.16 C +ATOM 583 OG1 THR A 73 13.894 43.282 25.877 1.00 16.82 O +ATOM 584 CG2 THR A 73 14.195 45.277 27.240 1.00 11.29 C +ATOM 585 N HIS A 74 17.963 44.477 27.143 1.00 20.82 N +ATOM 586 CA HIS A 74 19.008 45.115 27.924 1.00 23.93 C +ATOM 587 C HIS A 74 20.072 45.766 27.061 1.00 25.19 C +ATOM 588 O HIS A 74 20.570 46.839 27.390 1.00 28.30 O +ATOM 589 CB HIS A 74 19.614 44.131 28.920 1.00 26.24 C +ATOM 590 CG HIS A 74 18.662 43.723 29.999 1.00 25.50 C +ATOM 591 ND1 HIS A 74 17.338 43.432 29.754 1.00 30.18 N +ATOM 592 CD2 HIS A 74 18.826 43.613 31.337 1.00 24.39 C +ATOM 593 CE1 HIS A 74 16.725 43.169 30.893 1.00 26.56 C +ATOM 594 NE2 HIS A 74 17.608 43.272 31.868 1.00 27.69 N +ATOM 595 N ARG A 75 20.402 45.126 25.943 1.00 32.24 N +ATOM 596 CA ARG A 75 21.398 45.655 25.009 1.00 30.52 C +ATOM 597 C ARG A 75 20.982 47.058 24.580 1.00 28.24 C +ATOM 598 O ARG A 75 21.793 47.973 24.460 1.00 29.01 O +ATOM 599 CB ARG A 75 21.469 44.758 23.780 1.00 32.77 C +ATOM 600 CG ARG A 75 22.364 45.289 22.709 1.00 48.52 C +ATOM 601 CD ARG A 75 22.072 44.646 21.388 1.00 61.14 C +ATOM 602 NE ARG A 75 22.684 45.406 20.308 1.00 79.30 N +ATOM 603 CZ ARG A 75 22.834 44.947 19.074 1.00 92.75 C +ATOM 604 NH1 ARG A 75 22.413 43.723 18.768 1.00 99.99 N +ATOM 605 NH2 ARG A 75 23.440 45.693 18.156 1.00 98.59 N +ATOM 606 N VAL A 76 19.694 47.205 24.346 1.00 25.90 N +ATOM 607 CA VAL A 76 19.142 48.470 23.941 1.00 27.99 C +ATOM 608 C VAL A 76 19.206 49.420 25.133 1.00 30.68 C +ATOM 609 O VAL A 76 19.674 50.552 25.011 1.00 30.19 O +ATOM 610 CB VAL A 76 17.686 48.261 23.479 1.00 29.05 C +ATOM 611 CG1 VAL A 76 16.970 49.584 23.292 1.00 27.83 C +ATOM 612 CG2 VAL A 76 17.672 47.460 22.195 1.00 28.82 C +ATOM 613 N ASP A 77 18.781 48.934 26.299 1.00 33.44 N +ATOM 614 CA ASP A 77 18.768 49.748 27.513 1.00 27.08 C +ATOM 615 C ASP A 77 20.111 50.343 27.874 1.00 24.83 C +ATOM 616 O ASP A 77 20.190 51.515 28.209 1.00 29.79 O +ATOM 617 CB ASP A 77 18.200 48.964 28.694 1.00 28.35 C +ATOM 618 CG ASP A 77 16.714 48.657 28.534 1.00 35.33 C +ATOM 619 OD1 ASP A 77 16.088 49.195 27.596 1.00 33.79 O +ATOM 620 OD2 ASP A 77 16.165 47.875 29.344 1.00 35.21 O +ATOM 621 N LEU A 78 21.181 49.575 27.752 1.00 21.93 N +ATOM 622 CA LEU A 78 22.489 50.105 28.102 1.00 24.87 C +ATOM 623 C LEU A 78 22.751 51.443 27.431 1.00 29.44 C +ATOM 624 O LEU A 78 23.053 52.430 28.108 1.00 35.57 O +ATOM 625 CB LEU A 78 23.579 49.091 27.782 1.00 24.41 C +ATOM 626 CG LEU A 78 23.640 47.933 28.788 1.00 26.71 C +ATOM 627 CD1 LEU A 78 24.409 46.745 28.240 1.00 28.79 C +ATOM 628 CD2 LEU A 78 24.286 48.426 30.045 1.00 20.26 C +ATOM 629 N GLY A 79 22.524 51.495 26.119 1.00 32.00 N +ATOM 630 CA GLY A 79 22.748 52.713 25.349 1.00 27.69 C +ATOM 631 C GLY A 79 21.716 53.784 25.636 1.00 26.53 C +ATOM 632 O GLY A 79 22.039 54.970 25.739 1.00 22.16 O +ATOM 633 N THR A 80 20.462 53.361 25.741 1.00 28.52 N +ATOM 634 CA THR A 80 19.357 54.265 26.045 1.00 28.06 C +ATOM 635 C THR A 80 19.735 55.066 27.301 1.00 34.04 C +ATOM 636 O THR A 80 19.687 56.302 27.308 1.00 38.38 O +ATOM 637 CB THR A 80 18.062 53.461 26.319 1.00 24.43 C +ATOM 638 OG1 THR A 80 17.837 52.518 25.260 1.00 18.79 O +ATOM 639 CG2 THR A 80 16.865 54.383 26.445 1.00 29.02 C +ATOM 640 N LEU A 81 20.190 54.344 28.328 1.00 36.96 N +ATOM 641 CA LEU A 81 20.601 54.923 29.599 1.00 31.70 C +ATOM 642 C LEU A 81 21.889 55.737 29.456 1.00 32.20 C +ATOM 643 O LEU A 81 22.031 56.794 30.075 1.00 35.31 O +ATOM 644 CB LEU A 81 20.763 53.824 30.652 1.00 24.14 C +ATOM 645 CG LEU A 81 19.483 53.083 31.042 1.00 20.25 C +ATOM 646 CD1 LEU A 81 19.823 51.833 31.800 1.00 19.92 C +ATOM 647 CD2 LEU A 81 18.576 53.967 31.857 1.00 23.39 C +ATOM 648 N ARG A 82 22.823 55.277 28.635 1.00 30.92 N +ATOM 649 CA ARG A 82 24.047 56.044 28.458 1.00 31.32 C +ATOM 650 C ARG A 82 23.633 57.425 28.016 1.00 30.63 C +ATOM 651 O ARG A 82 24.246 58.411 28.402 1.00 35.90 O +ATOM 652 CB ARG A 82 24.956 55.435 27.398 1.00 37.40 C +ATOM 653 CG ARG A 82 26.180 56.298 27.099 1.00 51.62 C +ATOM 654 CD ARG A 82 26.798 55.974 25.741 1.00 67.62 C +ATOM 655 NE ARG A 82 25.829 56.125 24.655 1.00 82.20 N +ATOM 656 CZ ARG A 82 26.133 56.157 23.360 1.00 84.29 C +ATOM 657 NH1 ARG A 82 27.392 56.053 22.958 1.00 83.04 N +ATOM 658 NH2 ARG A 82 25.167 56.278 22.463 1.00 86.57 N +ATOM 659 N GLY A 83 22.576 57.484 27.213 1.00 28.66 N +ATOM 660 CA GLY A 83 22.075 58.754 26.735 1.00 31.18 C +ATOM 661 C GLY A 83 21.418 59.567 27.837 1.00 38.59 C +ATOM 662 O GLY A 83 21.687 60.760 27.971 1.00 43.34 O +ATOM 663 N TYR A 84 20.551 58.924 28.622 1.00 39.15 N +ATOM 664 CA TYR A 84 19.829 59.565 29.725 1.00 30.73 C +ATOM 665 C TYR A 84 20.726 60.314 30.708 1.00 31.99 C +ATOM 666 O TYR A 84 20.345 61.358 31.252 1.00 27.40 O +ATOM 667 CB TYR A 84 19.045 58.510 30.495 1.00 29.83 C +ATOM 668 CG TYR A 84 17.798 58.008 29.818 1.00 26.97 C +ATOM 669 CD1 TYR A 84 17.144 58.768 28.862 1.00 27.52 C +ATOM 670 CD2 TYR A 84 17.230 56.790 30.190 1.00 31.93 C +ATOM 671 CE1 TYR A 84 15.952 58.332 28.296 1.00 30.26 C +ATOM 672 CE2 TYR A 84 16.039 56.345 29.633 1.00 28.99 C +ATOM 673 CZ TYR A 84 15.406 57.122 28.686 1.00 27.06 C +ATOM 674 OH TYR A 84 14.226 56.696 28.130 1.00 29.85 O +ATOM 675 N TYR A 85 21.877 59.721 31.002 1.00 33.93 N +ATOM 676 CA TYR A 85 22.845 60.306 31.928 1.00 36.68 C +ATOM 677 C TYR A 85 23.963 61.036 31.206 1.00 42.09 C +ATOM 678 O TYR A 85 24.761 61.736 31.839 1.00 45.90 O +ATOM 679 CB TYR A 85 23.445 59.223 32.829 1.00 27.02 C +ATOM 680 CG TYR A 85 22.417 58.617 33.705 1.00 17.04 C +ATOM 681 CD1 TYR A 85 22.004 59.273 34.851 1.00 17.34 C +ATOM 682 CD2 TYR A 85 21.796 57.429 33.357 1.00 18.27 C +ATOM 683 CE1 TYR A 85 20.992 58.780 35.632 1.00 20.89 C +ATOM 684 CE2 TYR A 85 20.779 56.913 34.133 1.00 25.18 C +ATOM 685 CZ TYR A 85 20.378 57.602 35.275 1.00 25.77 C +ATOM 686 OH TYR A 85 19.348 57.131 36.061 1.00 37.50 O +ATOM 687 N ASN A 86 24.039 60.833 29.892 1.00 42.89 N +ATOM 688 CA ASN A 86 25.049 61.472 29.069 1.00 41.37 C +ATOM 689 C ASN A 86 26.441 60.970 29.428 1.00 38.87 C +ATOM 690 O ASN A 86 27.350 61.750 29.695 1.00 38.35 O +ATOM 691 CB ASN A 86 24.966 62.980 29.260 1.00 49.53 C +ATOM 692 CG ASN A 86 25.479 63.736 28.075 1.00 61.28 C +ATOM 693 OD1 ASN A 86 24.729 64.491 27.460 1.00 71.06 O +ATOM 694 ND2 ASN A 86 26.757 63.552 27.736 1.00 61.40 N +ATOM 695 N GLN A 87 26.608 59.658 29.408 1.00 38.84 N +ATOM 696 CA GLN A 87 27.882 59.053 29.756 1.00 42.63 C +ATOM 697 C GLN A 87 28.673 58.715 28.497 1.00 46.07 C +ATOM 698 O GLN A 87 28.139 58.788 27.393 1.00 52.76 O +ATOM 699 CB GLN A 87 27.622 57.831 30.639 1.00 39.68 C +ATOM 700 CG GLN A 87 26.617 58.167 31.740 1.00 44.42 C +ATOM 701 CD GLN A 87 26.571 57.173 32.870 1.00 47.96 C +ATOM 702 OE1 GLN A 87 27.452 57.150 33.729 1.00 52.31 O +ATOM 703 NE2 GLN A 87 25.515 56.373 32.909 1.00 45.77 N +ATOM 704 N SER A 88 29.938 58.352 28.654 1.00 49.44 N +ATOM 705 CA SER A 88 30.771 58.047 27.499 1.00 54.27 C +ATOM 706 C SER A 88 30.431 56.755 26.803 1.00 54.61 C +ATOM 707 O SER A 88 29.867 55.843 27.400 1.00 58.10 O +ATOM 708 CB SER A 88 32.246 57.992 27.888 1.00 60.95 C +ATOM 709 OG SER A 88 33.079 57.736 26.760 1.00 68.18 O +ATOM 710 N GLU A 89 30.855 56.669 25.549 1.00 56.67 N +ATOM 711 CA GLU A 89 30.655 55.473 24.737 1.00 60.49 C +ATOM 712 C GLU A 89 31.624 54.404 25.242 1.00 54.91 C +ATOM 713 O GLU A 89 31.313 53.218 25.229 1.00 54.72 O +ATOM 714 CB GLU A 89 31.000 55.739 23.256 1.00 71.92 C +ATOM 715 CG GLU A 89 30.023 56.567 22.413 1.00 82.42 C +ATOM 716 CD GLU A 89 30.101 58.072 22.650 1.00 92.71 C +ATOM 717 OE1 GLU A 89 31.227 58.615 22.781 1.00 97.04 O +ATOM 718 OE2 GLU A 89 29.027 58.719 22.674 1.00 96.43 O +ATOM 719 N ALA A 90 32.795 54.848 25.692 1.00 51.44 N +ATOM 720 CA ALA A 90 33.863 53.963 26.151 1.00 50.03 C +ATOM 721 C ALA A 90 33.677 53.251 27.495 1.00 48.93 C +ATOM 722 O ALA A 90 34.362 52.261 27.781 1.00 54.11 O +ATOM 723 CB ALA A 90 35.188 54.725 26.142 1.00 42.70 C +ATOM 724 N GLY A 91 32.750 53.726 28.314 1.00 45.45 N +ATOM 725 CA GLY A 91 32.572 53.114 29.612 1.00 44.78 C +ATOM 726 C GLY A 91 31.707 51.879 29.738 1.00 42.13 C +ATOM 727 O GLY A 91 30.609 51.818 29.178 1.00 44.09 O +ATOM 728 N SER A 92 32.187 50.911 30.518 1.00 39.21 N +ATOM 729 CA SER A 92 31.441 49.691 30.787 1.00 32.45 C +ATOM 730 C SER A 92 30.486 50.065 31.895 1.00 29.63 C +ATOM 731 O SER A 92 30.859 50.743 32.856 1.00 31.60 O +ATOM 732 CB SER A 92 32.349 48.566 31.260 1.00 28.84 C +ATOM 733 OG SER A 92 31.627 47.355 31.372 1.00 34.16 O +ATOM 734 N HIS A 93 29.228 49.713 31.697 1.00 27.90 N +ATOM 735 CA HIS A 93 28.189 50.005 32.663 1.00 27.54 C +ATOM 736 C HIS A 93 27.381 48.741 32.817 1.00 29.88 C +ATOM 737 O HIS A 93 27.496 47.821 31.990 1.00 34.57 O +ATOM 738 CB HIS A 93 27.312 51.169 32.204 1.00 29.74 C +ATOM 739 CG HIS A 93 28.038 52.479 32.149 1.00 35.45 C +ATOM 740 ND1 HIS A 93 28.875 52.827 31.111 1.00 33.59 N +ATOM 741 CD2 HIS A 93 28.065 53.520 33.015 1.00 37.19 C +ATOM 742 CE1 HIS A 93 29.385 54.025 31.337 1.00 38.73 C +ATOM 743 NE2 HIS A 93 28.910 54.467 32.485 1.00 40.78 N +ATOM 744 N THR A 94 26.578 48.697 33.875 1.00 26.91 N +ATOM 745 CA THR A 94 25.780 47.529 34.194 1.00 21.75 C +ATOM 746 C THR A 94 24.323 47.874 34.303 1.00 20.17 C +ATOM 747 O THR A 94 23.963 48.982 34.687 1.00 22.42 O +ATOM 748 CB THR A 94 26.220 46.929 35.550 1.00 23.17 C +ATOM 749 OG1 THR A 94 27.651 46.797 35.583 1.00 18.84 O +ATOM 750 CG2 THR A 94 25.573 45.564 35.774 1.00 20.31 C +ATOM 751 N VAL A 95 23.493 46.898 33.980 1.00 19.83 N +ATOM 752 CA VAL A 95 22.040 47.018 34.046 1.00 25.53 C +ATOM 753 C VAL A 95 21.658 45.723 34.749 1.00 22.61 C +ATOM 754 O VAL A 95 22.242 44.681 34.458 1.00 24.73 O +ATOM 755 CB VAL A 95 21.398 47.072 32.597 1.00 27.69 C +ATOM 756 CG1 VAL A 95 19.985 46.556 32.611 1.00 27.72 C +ATOM 757 CG2 VAL A 95 21.388 48.504 32.062 1.00 24.71 C +ATOM 758 N GLN A 96 20.727 45.776 35.695 1.00 21.22 N +ATOM 759 CA GLN A 96 20.335 44.558 36.401 1.00 21.70 C +ATOM 760 C GLN A 96 18.860 44.541 36.612 1.00 20.47 C +ATOM 761 O GLN A 96 18.275 45.572 36.916 1.00 21.74 O +ATOM 762 CB GLN A 96 21.045 44.448 37.745 1.00 27.10 C +ATOM 763 CG GLN A 96 22.535 44.341 37.588 1.00 30.99 C +ATOM 764 CD GLN A 96 23.280 44.688 38.838 1.00 32.88 C +ATOM 765 OE1 GLN A 96 23.806 45.806 38.980 1.00 33.79 O +ATOM 766 NE2 GLN A 96 23.369 43.726 39.748 1.00 29.30 N +ATOM 767 N ARG A 97 18.261 43.368 36.426 1.00 19.88 N +ATOM 768 CA ARG A 97 16.829 43.196 36.585 1.00 20.62 C +ATOM 769 C ARG A 97 16.557 41.956 37.438 1.00 21.54 C +ATOM 770 O ARG A 97 17.241 40.940 37.333 1.00 22.72 O +ATOM 771 CB ARG A 97 16.156 43.049 35.212 1.00 24.00 C +ATOM 772 CG ARG A 97 14.618 42.973 35.226 1.00 25.82 C +ATOM 773 CD ARG A 97 14.067 42.567 33.852 1.00 33.30 C +ATOM 774 NE ARG A 97 14.354 43.559 32.807 1.00 41.60 N +ATOM 775 CZ ARG A 97 13.431 44.128 32.035 1.00 40.15 C +ATOM 776 NH1 ARG A 97 12.151 43.811 32.187 1.00 38.70 N +ATOM 777 NH2 ARG A 97 13.788 45.010 31.106 1.00 40.33 N +ATOM 778 N MET A 98 15.536 42.047 38.273 1.00 19.05 N +ATOM 779 CA MET A 98 15.154 40.959 39.139 1.00 15.63 C +ATOM 780 C MET A 98 13.647 41.025 39.200 1.00 12.84 C +ATOM 781 O MET A 98 13.066 42.113 39.222 1.00 14.66 O +ATOM 782 CB MET A 98 15.754 41.175 40.539 1.00 18.01 C +ATOM 783 CG MET A 98 15.605 39.999 41.508 1.00 17.07 C +ATOM 784 SD MET A 98 13.963 39.859 42.272 1.00 31.66 S +ATOM 785 CE MET A 98 13.913 41.410 43.159 1.00 24.06 C +ATOM 786 N TYR A 99 12.999 39.880 39.121 1.00 7.56 N +ATOM 787 CA TYR A 99 11.566 39.874 39.232 1.00 13.92 C +ATOM 788 C TYR A 99 11.131 38.519 39.714 1.00 19.16 C +ATOM 789 O TYR A 99 11.876 37.550 39.563 1.00 23.99 O +ATOM 790 CB TYR A 99 10.875 40.306 37.928 1.00 19.23 C +ATOM 791 CG TYR A 99 11.056 39.437 36.692 1.00 19.30 C +ATOM 792 CD1 TYR A 99 10.392 38.217 36.570 1.00 22.32 C +ATOM 793 CD2 TYR A 99 11.818 39.882 35.606 1.00 17.23 C +ATOM 794 CE1 TYR A 99 10.475 37.468 35.409 1.00 22.95 C +ATOM 795 CE2 TYR A 99 11.907 39.137 34.439 1.00 18.51 C +ATOM 796 CZ TYR A 99 11.234 37.936 34.354 1.00 19.59 C +ATOM 797 OH TYR A 99 11.314 37.180 33.229 1.00 18.03 O +ATOM 798 N GLY A 100 9.976 38.466 40.373 1.00 22.18 N +ATOM 799 CA GLY A 100 9.490 37.204 40.884 1.00 23.87 C +ATOM 800 C GLY A 100 8.218 37.321 41.691 1.00 26.45 C +ATOM 801 O GLY A 100 7.660 38.411 41.853 1.00 23.67 O +ATOM 802 N CYS A 101 7.745 36.177 42.170 1.00 30.98 N +ATOM 803 CA CYS A 101 6.532 36.107 42.969 1.00 34.78 C +ATOM 804 C CYS A 101 6.752 35.210 44.192 1.00 34.76 C +ATOM 805 O CYS A 101 7.695 34.404 44.227 1.00 36.73 O +ATOM 806 CB CYS A 101 5.360 35.595 42.125 1.00 32.70 C +ATOM 807 SG CYS A 101 5.624 33.980 41.315 1.00 42.53 S +ATOM 808 N ASP A 102 5.918 35.419 45.212 1.00 32.68 N +ATOM 809 CA ASP A 102 5.949 34.673 46.470 1.00 22.88 C +ATOM 810 C ASP A 102 4.580 34.090 46.715 1.00 20.81 C +ATOM 811 O ASP A 102 3.569 34.788 46.546 1.00 18.07 O +ATOM 812 CB ASP A 102 6.215 35.616 47.638 1.00 25.63 C +ATOM 813 CG ASP A 102 7.613 36.141 47.658 1.00 31.24 C +ATOM 814 OD1 ASP A 102 8.458 35.582 46.951 1.00 42.39 O +ATOM 815 OD2 ASP A 102 7.883 37.100 48.400 1.00 27.97 O +ATOM 816 N VAL A 103 4.534 32.821 47.088 1.00 20.54 N +ATOM 817 CA VAL A 103 3.264 32.199 47.412 1.00 28.30 C +ATOM 818 C VAL A 103 3.323 31.853 48.895 1.00 34.81 C +ATOM 819 O VAL A 103 4.405 31.664 49.458 1.00 33.39 O +ATOM 820 CB VAL A 103 2.947 30.934 46.561 1.00 29.91 C +ATOM 821 CG1 VAL A 103 2.667 31.326 45.137 1.00 35.45 C +ATOM 822 CG2 VAL A 103 4.066 29.923 46.625 1.00 27.69 C +ATOM 823 N GLY A 104 2.175 31.904 49.553 1.00 43.12 N +ATOM 824 CA GLY A 104 2.131 31.574 50.963 1.00 45.30 C +ATOM 825 C GLY A 104 2.147 30.069 51.139 1.00 45.14 C +ATOM 826 O GLY A 104 2.386 29.321 50.189 1.00 40.19 O +ATOM 827 N SER A 105 1.854 29.620 52.351 1.00 44.84 N +ATOM 828 CA SER A 105 1.834 28.199 52.631 1.00 47.76 C +ATOM 829 C SER A 105 0.671 27.539 51.897 1.00 47.89 C +ATOM 830 O SER A 105 0.718 26.344 51.586 1.00 50.99 O +ATOM 831 CB SER A 105 1.759 27.970 54.135 1.00 51.44 C +ATOM 832 OG SER A 105 2.933 28.478 54.759 1.00 60.54 O +ATOM 833 N ASP A 106 -0.359 28.335 51.612 1.00 45.29 N +ATOM 834 CA ASP A 106 -1.532 27.869 50.878 1.00 45.43 C +ATOM 835 C ASP A 106 -1.187 27.848 49.391 1.00 50.52 C +ATOM 836 O ASP A 106 -2.049 27.584 48.552 1.00 54.71 O +ATOM 837 CB ASP A 106 -2.725 28.799 51.120 1.00 43.44 C +ATOM 838 CG ASP A 106 -2.428 30.260 50.762 1.00 46.76 C +ATOM 839 OD1 ASP A 106 -1.255 30.632 50.545 1.00 44.05 O +ATOM 840 OD2 ASP A 106 -3.388 31.058 50.706 1.00 51.33 O +ATOM 841 N TRP A 107 0.069 28.193 49.089 1.00 49.02 N +ATOM 842 CA TRP A 107 0.612 28.233 47.735 1.00 44.37 C +ATOM 843 C TRP A 107 -0.055 29.243 46.811 1.00 44.94 C +ATOM 844 O TRP A 107 0.084 29.161 45.594 1.00 43.16 O +ATOM 845 CB TRP A 107 0.588 26.844 47.109 1.00 43.86 C +ATOM 846 CG TRP A 107 1.728 25.963 47.516 1.00 41.56 C +ATOM 847 CD1 TRP A 107 2.629 26.188 48.515 1.00 42.34 C +ATOM 848 CD2 TRP A 107 2.098 24.716 46.912 1.00 40.70 C +ATOM 849 NE1 TRP A 107 3.537 25.157 48.573 1.00 41.75 N +ATOM 850 CE2 TRP A 107 3.235 24.240 47.601 1.00 39.61 C +ATOM 851 CE3 TRP A 107 1.575 23.954 45.855 1.00 41.16 C +ATOM 852 CZ2 TRP A 107 3.862 23.033 47.269 1.00 42.43 C +ATOM 853 CZ3 TRP A 107 2.199 22.749 45.523 1.00 40.05 C +ATOM 854 CH2 TRP A 107 3.331 22.303 46.229 1.00 44.51 C +ATOM 855 N ARG A 108 -0.758 30.205 47.403 1.00 46.98 N +ATOM 856 CA ARG A 108 -1.444 31.244 46.647 1.00 44.56 C +ATOM 857 C ARG A 108 -0.669 32.550 46.663 1.00 39.92 C +ATOM 858 O ARG A 108 0.148 32.804 47.562 1.00 34.81 O +ATOM 859 CB ARG A 108 -2.860 31.463 47.180 1.00 51.81 C +ATOM 860 CG ARG A 108 -3.792 30.285 46.976 1.00 59.15 C +ATOM 861 CD ARG A 108 -5.156 30.592 47.531 1.00 70.21 C +ATOM 862 NE ARG A 108 -6.053 29.454 47.413 1.00 84.64 N +ATOM 863 CZ ARG A 108 -7.337 29.481 47.754 1.00 94.89 C +ATOM 864 NH1 ARG A 108 -7.877 30.595 48.239 1.00100.00 N +ATOM 865 NH2 ARG A 108 -8.089 28.393 47.605 1.00100.00 N +ATOM 866 N PHE A 109 -0.959 33.385 45.671 1.00 35.77 N +ATOM 867 CA PHE A 109 -0.293 34.664 45.513 1.00 33.27 C +ATOM 868 C PHE A 109 -0.106 35.414 46.836 1.00 35.22 C +ATOM 869 O PHE A 109 -0.949 35.350 47.734 1.00 37.48 O +ATOM 870 CB PHE A 109 -1.036 35.538 44.487 1.00 24.18 C +ATOM 871 CG PHE A 109 -0.310 36.805 44.151 1.00 16.27 C +ATOM 872 CD1 PHE A 109 0.940 36.752 43.558 1.00 13.45 C +ATOM 873 CD2 PHE A 109 -0.825 38.032 44.516 1.00 13.64 C +ATOM 874 CE1 PHE A 109 1.678 37.900 43.337 1.00 19.65 C +ATOM 875 CE2 PHE A 109 -0.096 39.187 44.303 1.00 22.40 C +ATOM 876 CZ PHE A 109 1.167 39.121 43.710 1.00 18.83 C +ATOM 877 N LEU A 110 1.011 36.116 46.946 1.00 31.51 N +ATOM 878 CA LEU A 110 1.302 36.862 48.139 1.00 29.72 C +ATOM 879 C LEU A 110 1.881 38.210 47.737 1.00 32.71 C +ATOM 880 O LEU A 110 1.304 39.239 48.050 1.00 39.10 O +ATOM 881 CB LEU A 110 2.293 36.071 48.984 1.00 38.70 C +ATOM 882 CG LEU A 110 2.328 36.221 50.504 1.00 37.34 C +ATOM 883 CD1 LEU A 110 0.978 35.875 51.103 1.00 32.34 C +ATOM 884 CD2 LEU A 110 3.406 35.306 51.050 1.00 37.54 C +ATOM 885 N ARG A 111 3.007 38.216 47.026 1.00 33.40 N +ATOM 886 CA ARG A 111 3.631 39.474 46.595 1.00 35.79 C +ATOM 887 C ARG A 111 4.314 39.275 45.252 1.00 37.63 C +ATOM 888 O ARG A 111 4.792 38.176 44.953 1.00 37.28 O +ATOM 889 CB ARG A 111 4.699 39.953 47.588 1.00 42.79 C +ATOM 890 CG ARG A 111 4.231 40.230 49.004 1.00 53.69 C +ATOM 891 CD ARG A 111 5.422 40.427 49.934 1.00 59.68 C +ATOM 892 NE ARG A 111 5.232 39.736 51.208 1.00 67.44 N +ATOM 893 CZ ARG A 111 5.387 38.425 51.392 1.00 69.37 C +ATOM 894 NH1 ARG A 111 5.744 37.626 50.392 1.00 67.66 N +ATOM 895 NH2 ARG A 111 5.176 37.903 52.590 1.00 77.27 N +ATOM 896 N GLY A 112 4.363 40.349 44.463 1.00 37.49 N +ATOM 897 CA GLY A 112 5.001 40.328 43.160 1.00 32.09 C +ATOM 898 C GLY A 112 6.103 41.361 43.201 1.00 31.07 C +ATOM 899 O GLY A 112 5.949 42.366 43.889 1.00 33.59 O +ATOM 900 N TYR A 113 7.214 41.112 42.504 1.00 34.05 N +ATOM 901 CA TYR A 113 8.357 42.027 42.478 1.00 34.36 C +ATOM 902 C TYR A 113 8.838 42.256 41.050 1.00 31.72 C +ATOM 903 O TYR A 113 8.583 41.439 40.164 1.00 34.49 O +ATOM 904 CB TYR A 113 9.543 41.431 43.256 1.00 44.97 C +ATOM 905 CG TYR A 113 9.218 40.950 44.643 1.00 60.98 C +ATOM 906 CD1 TYR A 113 8.387 39.845 44.841 1.00 66.09 C +ATOM 907 CD2 TYR A 113 9.712 41.616 45.766 1.00 72.43 C +ATOM 908 CE1 TYR A 113 8.036 39.419 46.128 1.00 75.04 C +ATOM 909 CE2 TYR A 113 9.375 41.200 47.065 1.00 80.46 C +ATOM 910 CZ TYR A 113 8.538 40.102 47.241 1.00 81.22 C +ATOM 911 OH TYR A 113 8.190 39.710 48.518 1.00 80.05 O +ATOM 912 N HIS A 114 9.568 43.354 40.856 1.00 29.01 N +ATOM 913 CA HIS A 114 10.188 43.726 39.579 1.00 28.66 C +ATOM 914 C HIS A 114 11.023 44.962 39.818 1.00 22.15 C +ATOM 915 O HIS A 114 10.472 46.044 39.997 1.00 25.85 O +ATOM 916 CB HIS A 114 9.190 44.027 38.450 1.00 34.14 C +ATOM 917 CG HIS A 114 9.861 44.416 37.162 1.00 36.15 C +ATOM 918 ND1 HIS A 114 10.357 43.491 36.270 1.00 39.35 N +ATOM 919 CD2 HIS A 114 10.212 45.633 36.667 1.00 37.09 C +ATOM 920 CE1 HIS A 114 10.992 44.111 35.288 1.00 35.56 C +ATOM 921 NE2 HIS A 114 10.917 45.411 35.510 1.00 37.22 N +ATOM 922 N GLN A 115 12.343 44.817 39.765 1.00 17.91 N +ATOM 923 CA GLN A 115 13.223 45.940 40.019 1.00 13.46 C +ATOM 924 C GLN A 115 14.289 45.983 38.995 1.00 14.89 C +ATOM 925 O GLN A 115 14.867 44.964 38.666 1.00 21.64 O +ATOM 926 CB GLN A 115 13.905 45.795 41.380 1.00 26.85 C +ATOM 927 CG GLN A 115 13.039 45.174 42.469 1.00 33.59 C +ATOM 928 CD GLN A 115 13.515 45.524 43.856 1.00 41.22 C +ATOM 929 OE1 GLN A 115 12.806 46.194 44.610 1.00 45.08 O +ATOM 930 NE2 GLN A 115 14.734 45.102 44.193 1.00 41.04 N +ATOM 931 N TYR A 116 14.614 47.192 38.578 1.00 17.30 N +ATOM 932 CA TYR A 116 15.614 47.441 37.569 1.00 12.54 C +ATOM 933 C TYR A 116 16.621 48.319 38.251 1.00 11.92 C +ATOM 934 O TYR A 116 16.240 49.206 39.009 1.00 23.23 O +ATOM 935 CB TYR A 116 14.959 48.224 36.428 1.00 17.47 C +ATOM 936 CG TYR A 116 15.658 48.119 35.094 1.00 25.37 C +ATOM 937 CD1 TYR A 116 15.431 47.021 34.254 1.00 26.69 C +ATOM 938 CD2 TYR A 116 16.556 49.103 34.669 1.00 26.52 C +ATOM 939 CE1 TYR A 116 16.083 46.905 33.037 1.00 29.49 C +ATOM 940 CE2 TYR A 116 17.209 48.994 33.450 1.00 30.83 C +ATOM 941 CZ TYR A 116 16.968 47.891 32.647 1.00 29.77 C +ATOM 942 OH TYR A 116 17.633 47.754 31.460 1.00 39.02 O +ATOM 943 N ALA A 117 17.893 48.108 37.962 1.00 12.33 N +ATOM 944 CA ALA A 117 18.959 48.905 38.547 1.00 15.89 C +ATOM 945 C ALA A 117 20.031 49.134 37.518 1.00 22.97 C +ATOM 946 O ALA A 117 20.437 48.196 36.827 1.00 31.48 O +ATOM 947 CB ALA A 117 19.556 48.198 39.729 1.00 23.45 C +ATOM 948 N TYR A 118 20.524 50.365 37.450 1.00 22.86 N +ATOM 949 CA TYR A 118 21.566 50.727 36.502 1.00 22.98 C +ATOM 950 C TYR A 118 22.782 51.189 37.270 1.00 21.92 C +ATOM 951 O TYR A 118 22.712 52.151 38.023 1.00 26.24 O +ATOM 952 CB TYR A 118 21.071 51.841 35.566 1.00 23.67 C +ATOM 953 CG TYR A 118 22.118 52.398 34.620 1.00 18.47 C +ATOM 954 CD1 TYR A 118 22.889 51.556 33.826 1.00 18.66 C +ATOM 955 CD2 TYR A 118 22.340 53.766 34.532 1.00 12.65 C +ATOM 956 CE1 TYR A 118 23.858 52.061 32.975 1.00 21.26 C +ATOM 957 CE2 TYR A 118 23.301 54.283 33.678 1.00 12.56 C +ATOM 958 CZ TYR A 118 24.058 53.430 32.895 1.00 19.39 C +ATOM 959 OH TYR A 118 24.976 53.941 31.981 1.00 25.99 O +ATOM 960 N ASP A 119 23.892 50.491 37.059 1.00 31.62 N +ATOM 961 CA ASP A 119 25.177 50.776 37.708 1.00 35.96 C +ATOM 962 C ASP A 119 25.220 50.490 39.222 1.00 38.28 C +ATOM 963 O ASP A 119 25.992 51.111 39.962 1.00 42.76 O +ATOM 964 CB ASP A 119 25.639 52.219 37.412 1.00 38.76 C +ATOM 965 CG ASP A 119 26.421 52.347 36.093 1.00 42.17 C +ATOM 966 OD1 ASP A 119 26.719 51.308 35.467 1.00 45.50 O +ATOM 967 OD2 ASP A 119 26.762 53.490 35.694 1.00 32.26 O +ATOM 968 N GLY A 120 24.431 49.513 39.664 1.00 38.19 N +ATOM 969 CA GLY A 120 24.399 49.153 41.074 1.00 40.48 C +ATOM 970 C GLY A 120 23.427 49.927 41.947 1.00 39.54 C +ATOM 971 O GLY A 120 23.252 49.607 43.121 1.00 44.56 O +ATOM 972 N LYS A 121 22.762 50.916 41.364 1.00 40.43 N +ATOM 973 CA LYS A 121 21.822 51.750 42.095 1.00 36.13 C +ATOM 974 C LYS A 121 20.422 51.572 41.546 1.00 31.65 C +ATOM 975 O LYS A 121 20.244 51.316 40.366 1.00 36.08 O +ATOM 976 CB LYS A 121 22.260 53.218 41.990 1.00 42.51 C +ATOM 977 CG LYS A 121 21.301 54.213 42.608 1.00 50.14 C +ATOM 978 CD LYS A 121 21.733 55.645 42.365 1.00 52.45 C +ATOM 979 CE LYS A 121 20.578 56.577 42.667 1.00 55.73 C +ATOM 980 NZ LYS A 121 20.847 57.945 42.156 1.00 62.81 N +ATOM 981 N ASP A 122 19.432 51.691 42.420 1.00 35.27 N +ATOM 982 CA ASP A 122 18.041 51.552 42.033 1.00 32.85 C +ATOM 983 C ASP A 122 17.745 52.496 40.888 1.00 31.75 C +ATOM 984 O ASP A 122 18.289 53.595 40.825 1.00 32.14 O +ATOM 985 CB ASP A 122 17.122 51.884 43.210 1.00 40.03 C +ATOM 986 CG ASP A 122 17.153 50.830 44.305 1.00 42.28 C +ATOM 987 OD1 ASP A 122 17.167 49.624 43.990 1.00 44.75 O +ATOM 988 OD2 ASP A 122 17.132 51.214 45.491 1.00 49.41 O +ATOM 989 N TYR A 123 16.899 52.052 39.967 1.00 32.44 N +ATOM 990 CA TYR A 123 16.538 52.866 38.812 1.00 29.95 C +ATOM 991 C TYR A 123 15.033 52.994 38.769 1.00 29.63 C +ATOM 992 O TYR A 123 14.498 54.101 38.742 1.00 34.22 O +ATOM 993 CB TYR A 123 17.052 52.239 37.513 1.00 29.73 C +ATOM 994 CG TYR A 123 16.766 53.084 36.299 1.00 32.44 C +ATOM 995 CD1 TYR A 123 17.461 54.266 36.080 1.00 32.34 C +ATOM 996 CD2 TYR A 123 15.768 52.726 35.390 1.00 30.68 C +ATOM 997 CE1 TYR A 123 17.171 55.066 34.998 1.00 31.05 C +ATOM 998 CE2 TYR A 123 15.473 53.523 34.308 1.00 21.48 C +ATOM 999 CZ TYR A 123 16.179 54.690 34.115 1.00 29.98 C +ATOM 1000 OH TYR A 123 15.929 55.491 33.024 1.00 38.15 O +ATOM 1001 N ILE A 124 14.348 51.864 38.709 1.00 26.29 N +ATOM 1002 CA ILE A 124 12.897 51.883 38.709 1.00 27.93 C +ATOM 1003 C ILE A 124 12.400 50.532 39.203 1.00 33.20 C +ATOM 1004 O ILE A 124 13.028 49.493 38.945 1.00 38.56 O +ATOM 1005 CB ILE A 124 12.282 52.241 37.315 1.00 27.01 C +ATOM 1006 CG1 ILE A 124 10.767 52.453 37.464 1.00 27.17 C +ATOM 1007 CG2 ILE A 124 12.549 51.122 36.308 1.00 28.49 C +ATOM 1008 CD1 ILE A 124 10.058 53.026 36.272 1.00 26.86 C +ATOM 1009 N ALA A 125 11.306 50.563 39.958 1.00 31.57 N +ATOM 1010 CA ALA A 125 10.707 49.363 40.517 1.00 28.82 C +ATOM 1011 C ALA A 125 9.197 49.509 40.537 1.00 29.54 C +ATOM 1012 O ALA A 125 8.672 50.619 40.639 1.00 29.14 O +ATOM 1013 CB ALA A 125 11.228 49.128 41.915 1.00 28.12 C +ATOM 1014 N LEU A 126 8.510 48.384 40.406 1.00 29.94 N +ATOM 1015 CA LEU A 126 7.052 48.343 40.404 1.00 37.76 C +ATOM 1016 C LEU A 126 6.574 48.334 41.860 1.00 40.83 C +ATOM 1017 O LEU A 126 7.048 47.517 42.648 1.00 46.72 O +ATOM 1018 CB LEU A 126 6.581 47.057 39.692 1.00 31.66 C +ATOM 1019 CG LEU A 126 5.095 46.750 39.455 1.00 28.39 C +ATOM 1020 CD1 LEU A 126 4.503 47.781 38.497 1.00 15.22 C +ATOM 1021 CD2 LEU A 126 4.934 45.324 38.902 1.00 19.68 C +ATOM 1022 N LYS A 127 5.676 49.248 42.228 1.00 41.69 N +ATOM 1023 CA LYS A 127 5.163 49.285 43.596 1.00 41.32 C +ATOM 1024 C LYS A 127 4.366 48.033 43.922 1.00 44.80 C +ATOM 1025 O LYS A 127 3.738 47.435 43.047 1.00 42.21 O +ATOM 1026 CB LYS A 127 4.295 50.514 43.838 1.00 39.61 C +ATOM 1027 CG LYS A 127 5.082 51.794 44.004 1.00 40.53 C +ATOM 1028 CD LYS A 127 4.176 52.954 44.380 1.00 43.19 C +ATOM 1029 CE LYS A 127 4.971 54.239 44.514 1.00 50.62 C +ATOM 1030 NZ LYS A 127 4.119 55.376 44.951 1.00 56.97 N +ATOM 1031 N GLU A 128 4.343 47.692 45.206 1.00 50.56 N +ATOM 1032 CA GLU A 128 3.652 46.508 45.733 1.00 52.58 C +ATOM 1033 C GLU A 128 2.247 46.207 45.181 1.00 49.26 C +ATOM 1034 O GLU A 128 1.817 45.052 45.171 1.00 44.22 O +ATOM 1035 CB GLU A 128 3.604 46.606 47.263 1.00 59.83 C +ATOM 1036 CG GLU A 128 3.065 45.364 47.966 1.00 74.98 C +ATOM 1037 CD GLU A 128 3.246 45.404 49.481 1.00 82.57 C +ATOM 1038 OE1 GLU A 128 3.106 46.495 50.085 1.00 89.62 O +ATOM 1039 OE2 GLU A 128 3.524 44.331 50.065 1.00 86.09 O +ATOM 1040 N ASP A 129 1.531 47.246 44.751 1.00 48.72 N +ATOM 1041 CA ASP A 129 0.172 47.102 44.206 1.00 49.14 C +ATOM 1042 C ASP A 129 0.185 46.591 42.762 1.00 49.73 C +ATOM 1043 O ASP A 129 -0.869 46.336 42.164 1.00 47.39 O +ATOM 1044 CB ASP A 129 -0.589 48.442 44.283 1.00 47.08 C +ATOM 1045 CG ASP A 129 -0.094 49.489 43.261 1.00 49.63 C +ATOM 1046 OD1 ASP A 129 1.068 49.425 42.784 1.00 51.48 O +ATOM 1047 OD2 ASP A 129 -0.889 50.398 42.940 1.00 46.95 O +ATOM 1048 N LEU A 130 1.394 46.497 42.207 1.00 44.33 N +ATOM 1049 CA LEU A 130 1.616 46.030 40.849 1.00 39.16 C +ATOM 1050 C LEU A 130 0.835 46.862 39.832 1.00 38.62 C +ATOM 1051 O LEU A 130 0.269 46.309 38.887 1.00 37.77 O +ATOM 1052 CB LEU A 130 1.243 44.544 40.725 1.00 32.19 C +ATOM 1053 CG LEU A 130 1.799 43.539 41.750 1.00 29.94 C +ATOM 1054 CD1 LEU A 130 1.407 42.110 41.341 1.00 22.08 C +ATOM 1055 CD2 LEU A 130 3.316 43.675 41.907 1.00 27.03 C +ATOM 1056 N ARG A 131 0.783 48.180 40.047 1.00 36.32 N +ATOM 1057 CA ARG A 131 0.081 49.089 39.134 1.00 33.61 C +ATOM 1058 C ARG A 131 0.851 50.374 38.861 1.00 33.76 C +ATOM 1059 O ARG A 131 0.610 51.045 37.858 1.00 35.76 O +ATOM 1060 CB ARG A 131 -1.282 49.483 39.679 1.00 36.62 C +ATOM 1061 CG ARG A 131 -2.268 48.378 39.844 1.00 39.17 C +ATOM 1062 CD ARG A 131 -3.478 48.934 40.550 1.00 55.43 C +ATOM 1063 NE ARG A 131 -4.398 47.871 40.904 1.00 72.42 N +ATOM 1064 CZ ARG A 131 -5.701 48.032 41.115 1.00 86.59 C +ATOM 1065 NH1 ARG A 131 -6.262 49.238 41.033 1.00 93.18 N +ATOM 1066 NH2 ARG A 131 -6.461 46.964 41.334 1.00 92.68 N +ATOM 1067 N SER A 132 1.744 50.745 39.766 1.00 33.78 N +ATOM 1068 CA SER A 132 2.512 51.972 39.584 1.00 37.17 C +ATOM 1069 C SER A 132 4.021 51.738 39.718 1.00 34.75 C +ATOM 1070 O SER A 132 4.452 50.625 40.071 1.00 27.41 O +ATOM 1071 CB SER A 132 2.027 53.059 40.557 1.00 39.79 C +ATOM 1072 OG SER A 132 1.188 52.516 41.567 1.00 41.74 O +ATOM 1073 N TRP A 133 4.797 52.802 39.481 1.00 30.60 N +ATOM 1074 CA TRP A 133 6.255 52.751 39.524 1.00 31.40 C +ATOM 1075 C TRP A 133 6.922 53.768 40.443 1.00 37.00 C +ATOM 1076 O TRP A 133 6.417 54.864 40.668 1.00 41.01 O +ATOM 1077 CB TRP A 133 6.820 52.934 38.115 1.00 27.71 C +ATOM 1078 CG TRP A 133 6.226 51.986 37.153 1.00 30.97 C +ATOM 1079 CD1 TRP A 133 5.054 52.136 36.465 1.00 26.99 C +ATOM 1080 CD2 TRP A 133 6.734 50.689 36.814 1.00 29.27 C +ATOM 1081 NE1 TRP A 133 4.791 51.009 35.724 1.00 28.62 N +ATOM 1082 CE2 TRP A 133 5.807 50.104 35.917 1.00 31.89 C +ATOM 1083 CE3 TRP A 133 7.872 49.966 37.184 1.00 24.40 C +ATOM 1084 CZ2 TRP A 133 5.988 48.821 35.382 1.00 31.36 C +ATOM 1085 CZ3 TRP A 133 8.055 48.691 36.656 1.00 28.75 C +ATOM 1086 CH2 TRP A 133 7.115 48.132 35.763 1.00 31.71 C +ATOM 1087 N THR A 134 8.098 53.399 40.931 1.00 38.90 N +ATOM 1088 CA THR A 134 8.884 54.247 41.799 1.00 38.92 C +ATOM 1089 C THR A 134 10.127 54.559 40.985 1.00 36.00 C +ATOM 1090 O THR A 134 10.978 53.699 40.810 1.00 34.05 O +ATOM 1091 CB THR A 134 9.318 53.479 43.061 1.00 44.16 C +ATOM 1092 OG1 THR A 134 8.162 53.004 43.763 1.00 47.61 O +ATOM 1093 CG2 THR A 134 10.152 54.377 43.976 1.00 49.86 C +ATOM 1094 N ALA A 135 10.207 55.762 40.440 1.00 32.67 N +ATOM 1095 CA ALA A 135 11.361 56.140 39.652 1.00 30.86 C +ATOM 1096 C ALA A 135 12.340 56.931 40.498 1.00 35.27 C +ATOM 1097 O ALA A 135 11.952 57.881 41.172 1.00 38.66 O +ATOM 1098 CB ALA A 135 10.932 56.958 38.461 1.00 27.43 C +ATOM 1099 N ALA A 136 13.606 56.534 40.456 1.00 33.74 N +ATOM 1100 CA ALA A 136 14.648 57.209 41.209 1.00 34.39 C +ATOM 1101 C ALA A 136 14.840 58.672 40.792 1.00 39.16 C +ATOM 1102 O ALA A 136 14.347 59.574 41.444 1.00 42.25 O +ATOM 1103 CB ALA A 136 15.953 56.442 41.087 1.00 35.36 C +ATOM 1104 N ASP A 137 15.529 58.901 39.684 1.00 43.05 N +ATOM 1105 CA ASP A 137 15.796 60.257 39.215 1.00 41.76 C +ATOM 1106 C ASP A 137 14.913 60.714 38.052 1.00 45.89 C +ATOM 1107 O ASP A 137 13.811 60.192 37.856 1.00 47.87 O +ATOM 1108 CB ASP A 137 17.269 60.364 38.833 1.00 45.09 C +ATOM 1109 CG ASP A 137 17.784 59.116 38.135 1.00 44.68 C +ATOM 1110 OD1 ASP A 137 17.014 58.440 37.425 1.00 47.02 O +ATOM 1111 OD2 ASP A 137 18.972 58.803 38.308 1.00 51.63 O +ATOM 1112 N MET A 138 15.399 61.696 37.287 1.00 44.16 N +ATOM 1113 CA MET A 138 14.663 62.220 36.136 1.00 43.28 C +ATOM 1114 C MET A 138 14.587 61.175 35.029 1.00 39.33 C +ATOM 1115 O MET A 138 13.542 61.013 34.394 1.00 37.01 O +ATOM 1116 CB MET A 138 15.327 63.490 35.595 1.00 46.96 C +ATOM 1117 CG MET A 138 15.259 64.684 36.534 1.00 52.53 C +ATOM 1118 SD MET A 138 13.580 65.252 36.867 1.00 57.91 S +ATOM 1119 CE MET A 138 13.329 66.325 35.470 1.00 54.52 C +ATOM 1120 N ALA A 139 15.709 60.488 34.801 1.00 37.23 N +ATOM 1121 CA ALA A 139 15.808 59.441 33.787 1.00 31.49 C +ATOM 1122 C ALA A 139 14.734 58.402 34.069 1.00 32.22 C +ATOM 1123 O ALA A 139 13.857 58.159 33.247 1.00 38.57 O +ATOM 1124 CB ALA A 139 17.181 58.807 33.829 1.00 26.07 C +ATOM 1125 N ALA A 140 14.757 57.860 35.279 1.00 35.06 N +ATOM 1126 CA ALA A 140 13.788 56.864 35.710 1.00 34.73 C +ATOM 1127 C ALA A 140 12.367 57.343 35.431 1.00 39.42 C +ATOM 1128 O ALA A 140 11.472 56.547 35.128 1.00 40.03 O +ATOM 1129 CB ALA A 140 13.967 56.587 37.175 1.00 29.31 C +ATOM 1130 N GLN A 141 12.158 58.651 35.527 1.00 44.41 N +ATOM 1131 CA GLN A 141 10.840 59.216 35.271 1.00 45.73 C +ATOM 1132 C GLN A 141 10.454 59.111 33.809 1.00 44.07 C +ATOM 1133 O GLN A 141 9.294 58.823 33.501 1.00 45.07 O +ATOM 1134 CB GLN A 141 10.757 60.658 35.756 1.00 47.67 C +ATOM 1135 CG GLN A 141 10.497 60.739 37.227 1.00 45.33 C +ATOM 1136 CD GLN A 141 10.331 62.146 37.705 1.00 45.54 C +ATOM 1137 OE1 GLN A 141 9.476 62.883 37.223 1.00 45.47 O +ATOM 1138 NE2 GLN A 141 11.136 62.529 38.675 1.00 50.38 N +ATOM 1139 N THR A 142 11.421 59.332 32.919 1.00 40.97 N +ATOM 1140 CA THR A 142 11.186 59.226 31.480 1.00 40.16 C +ATOM 1141 C THR A 142 10.671 57.808 31.210 1.00 41.30 C +ATOM 1142 O THR A 142 9.594 57.613 30.607 1.00 42.09 O +ATOM 1143 CB THR A 142 12.496 59.441 30.674 1.00 38.45 C +ATOM 1144 OG1 THR A 142 12.914 60.808 30.777 1.00 39.44 O +ATOM 1145 CG2 THR A 142 12.301 59.076 29.213 1.00 33.75 C +ATOM 1146 N THR A 143 11.432 56.833 31.702 1.00 32.32 N +ATOM 1147 CA THR A 143 11.096 55.433 31.549 1.00 26.62 C +ATOM 1148 C THR A 143 9.747 55.153 32.177 1.00 30.47 C +ATOM 1149 O THR A 143 8.929 54.405 31.633 1.00 34.95 O +ATOM 1150 CB THR A 143 12.129 54.590 32.235 1.00 24.47 C +ATOM 1151 OG1 THR A 143 13.410 54.866 31.655 1.00 17.49 O +ATOM 1152 CG2 THR A 143 11.786 53.120 32.120 1.00 23.49 C +ATOM 1153 N LYS A 144 9.507 55.778 33.321 1.00 31.90 N +ATOM 1154 CA LYS A 144 8.256 55.601 34.017 1.00 28.41 C +ATOM 1155 C LYS A 144 7.135 55.982 33.060 1.00 29.81 C +ATOM 1156 O LYS A 144 6.204 55.204 32.851 1.00 31.10 O +ATOM 1157 CB LYS A 144 8.225 56.474 35.274 1.00 30.71 C +ATOM 1158 CG LYS A 144 7.044 56.187 36.180 1.00 32.56 C +ATOM 1159 CD LYS A 144 6.990 57.110 37.385 1.00 36.07 C +ATOM 1160 CE LYS A 144 5.668 56.921 38.120 1.00 43.65 C +ATOM 1161 NZ LYS A 144 5.563 57.740 39.361 1.00 52.92 N +ATOM 1162 N HIS A 145 7.272 57.140 32.418 1.00 33.03 N +ATOM 1163 CA HIS A 145 6.266 57.623 31.480 1.00 35.65 C +ATOM 1164 C HIS A 145 6.063 56.631 30.352 1.00 34.90 C +ATOM 1165 O HIS A 145 4.931 56.303 29.992 1.00 31.53 O +ATOM 1166 CB HIS A 145 6.663 58.977 30.881 1.00 49.12 C +ATOM 1167 CG HIS A 145 5.601 59.576 29.999 1.00 59.89 C +ATOM 1168 ND1 HIS A 145 5.432 59.206 28.684 1.00 60.72 N +ATOM 1169 CD2 HIS A 145 4.623 60.469 30.275 1.00 66.73 C +ATOM 1170 CE1 HIS A 145 4.386 59.845 28.183 1.00 69.83 C +ATOM 1171 NE2 HIS A 145 3.877 60.613 29.123 1.00 71.01 N +ATOM 1172 N LYS A 146 7.170 56.205 29.760 1.00 30.16 N +ATOM 1173 CA LYS A 146 7.125 55.250 28.674 1.00 27.56 C +ATOM 1174 C LYS A 146 6.300 54.024 29.051 1.00 30.55 C +ATOM 1175 O LYS A 146 5.375 53.642 28.322 1.00 31.74 O +ATOM 1176 CB LYS A 146 8.531 54.781 28.323 1.00 27.93 C +ATOM 1177 CG LYS A 146 9.421 55.802 27.659 1.00 31.31 C +ATOM 1178 CD LYS A 146 10.593 55.087 26.990 1.00 28.91 C +ATOM 1179 CE LYS A 146 11.531 56.049 26.316 1.00 34.39 C +ATOM 1180 NZ LYS A 146 12.649 55.313 25.691 1.00 42.56 N +ATOM 1181 N TRP A 147 6.631 53.425 30.196 1.00 27.95 N +ATOM 1182 CA TRP A 147 5.967 52.218 30.665 1.00 19.99 C +ATOM 1183 C TRP A 147 4.534 52.370 31.105 1.00 20.84 C +ATOM 1184 O TRP A 147 3.765 51.415 31.030 1.00 24.43 O +ATOM 1185 CB TRP A 147 6.810 51.544 31.737 1.00 26.53 C +ATOM 1186 CG TRP A 147 8.134 51.076 31.191 1.00 30.69 C +ATOM 1187 CD1 TRP A 147 8.631 51.305 29.936 1.00 26.76 C +ATOM 1188 CD2 TRP A 147 9.133 50.300 31.884 1.00 36.26 C +ATOM 1189 NE1 TRP A 147 9.869 50.734 29.801 1.00 27.94 N +ATOM 1190 CE2 TRP A 147 10.206 50.106 30.976 1.00 31.47 C +ATOM 1191 CE3 TRP A 147 9.230 49.754 33.179 1.00 34.66 C +ATOM 1192 CZ2 TRP A 147 11.377 49.377 31.322 1.00 29.84 C +ATOM 1193 CZ3 TRP A 147 10.405 49.022 33.527 1.00 32.40 C +ATOM 1194 CH2 TRP A 147 11.455 48.846 32.592 1.00 21.23 C +ATOM 1195 N GLU A 148 4.159 53.557 31.562 1.00 26.32 N +ATOM 1196 CA GLU A 148 2.775 53.794 31.971 1.00 32.17 C +ATOM 1197 C GLU A 148 1.946 53.879 30.703 1.00 36.51 C +ATOM 1198 O GLU A 148 0.831 53.354 30.643 1.00 36.49 O +ATOM 1199 CB GLU A 148 2.643 55.097 32.769 1.00 43.59 C +ATOM 1200 CG GLU A 148 3.356 55.076 34.128 1.00 44.65 C +ATOM 1201 CD GLU A 148 3.249 56.396 34.894 1.00 48.80 C +ATOM 1202 OE1 GLU A 148 3.412 57.483 34.280 1.00 41.91 O +ATOM 1203 OE2 GLU A 148 3.021 56.331 36.126 1.00 52.12 O +ATOM 1204 N ALA A 149 2.538 54.494 29.674 1.00 45.27 N +ATOM 1205 CA ALA A 149 1.910 54.670 28.349 1.00 45.65 C +ATOM 1206 C ALA A 149 1.705 53.340 27.624 1.00 42.76 C +ATOM 1207 O ALA A 149 0.656 53.108 27.009 1.00 43.48 O +ATOM 1208 CB ALA A 149 2.748 55.609 27.476 1.00 36.12 C +ATOM 1209 N ALA A 150 2.713 52.478 27.694 1.00 40.28 N +ATOM 1210 CA ALA A 150 2.658 51.165 27.065 1.00 37.93 C +ATOM 1211 C ALA A 150 1.942 50.142 27.943 1.00 40.30 C +ATOM 1212 O ALA A 150 1.897 48.968 27.601 1.00 44.70 O +ATOM 1213 CB ALA A 150 4.052 50.680 26.740 1.00 33.20 C +ATOM 1214 N HIS A 151 1.402 50.582 29.079 1.00 39.83 N +ATOM 1215 CA HIS A 151 0.677 49.694 29.990 1.00 40.47 C +ATOM 1216 C HIS A 151 1.438 48.415 30.387 1.00 37.58 C +ATOM 1217 O HIS A 151 0.845 47.354 30.617 1.00 26.43 O +ATOM 1218 CB HIS A 151 -0.711 49.375 29.421 1.00 45.42 C +ATOM 1219 CG HIS A 151 -1.619 50.567 29.354 1.00 58.59 C +ATOM 1220 ND1 HIS A 151 -2.758 50.674 30.124 1.00 69.13 N +ATOM 1221 CD2 HIS A 151 -1.545 51.713 28.637 1.00 63.67 C +ATOM 1222 CE1 HIS A 151 -3.346 51.833 29.887 1.00 71.72 C +ATOM 1223 NE2 HIS A 151 -2.631 52.484 28.988 1.00 69.77 N +ATOM 1224 N VAL A 152 2.751 48.571 30.558 1.00 39.62 N +ATOM 1225 CA VAL A 152 3.667 47.489 30.957 1.00 43.48 C +ATOM 1226 C VAL A 152 3.275 46.873 32.317 1.00 49.12 C +ATOM 1227 O VAL A 152 3.266 45.644 32.499 1.00 50.01 O +ATOM 1228 CB VAL A 152 5.139 48.020 31.047 1.00 37.62 C +ATOM 1229 CG1 VAL A 152 6.077 46.951 31.575 1.00 34.99 C +ATOM 1230 CG2 VAL A 152 5.610 48.496 29.692 1.00 36.15 C +ATOM 1231 N ALA A 153 2.956 47.731 33.280 1.00 49.95 N +ATOM 1232 CA ALA A 153 2.564 47.255 34.598 1.00 46.09 C +ATOM 1233 C ALA A 153 1.412 46.256 34.491 1.00 41.41 C +ATOM 1234 O ALA A 153 1.485 45.175 35.059 1.00 36.15 O +ATOM 1235 CB ALA A 153 2.168 48.422 35.476 1.00 48.16 C +ATOM 1236 N GLU A 154 0.392 46.589 33.696 1.00 44.40 N +ATOM 1237 CA GLU A 154 -0.787 45.735 33.518 1.00 42.56 C +ATOM 1238 C GLU A 154 -0.480 44.374 32.953 1.00 36.72 C +ATOM 1239 O GLU A 154 -1.260 43.445 33.110 1.00 40.54 O +ATOM 1240 CB GLU A 154 -1.829 46.423 32.651 1.00 47.46 C +ATOM 1241 CG GLU A 154 -2.259 47.776 33.211 1.00 62.61 C +ATOM 1242 CD GLU A 154 -3.289 48.492 32.355 1.00 75.25 C +ATOM 1243 OE1 GLU A 154 -3.732 47.932 31.301 1.00 85.22 O +ATOM 1244 OE2 GLU A 154 -3.662 49.646 32.728 1.00 75.79 O +ATOM 1245 N GLN A 155 0.647 44.253 32.273 1.00 33.98 N +ATOM 1246 CA GLN A 155 1.040 42.969 31.732 1.00 29.12 C +ATOM 1247 C GLN A 155 1.869 42.232 32.793 1.00 28.40 C +ATOM 1248 O GLN A 155 1.747 41.019 32.945 1.00 32.32 O +ATOM 1249 CB GLN A 155 1.851 43.137 30.450 1.00 29.41 C +ATOM 1250 CG GLN A 155 1.941 41.867 29.615 1.00 28.21 C +ATOM 1251 CD GLN A 155 0.691 41.602 28.808 1.00 29.59 C +ATOM 1252 OE1 GLN A 155 0.326 42.385 27.935 1.00 37.70 O +ATOM 1253 NE2 GLN A 155 0.037 40.488 29.081 1.00 32.74 N +ATOM 1254 N LEU A 156 2.714 42.952 33.530 1.00 26.54 N +ATOM 1255 CA LEU A 156 3.524 42.309 34.572 1.00 23.35 C +ATOM 1256 C LEU A 156 2.591 41.748 35.627 1.00 26.96 C +ATOM 1257 O LEU A 156 2.764 40.623 36.085 1.00 28.02 O +ATOM 1258 CB LEU A 156 4.489 43.294 35.225 1.00 14.83 C +ATOM 1259 CG LEU A 156 5.930 43.278 34.741 1.00 10.98 C +ATOM 1260 CD1 LEU A 156 6.654 44.509 35.204 1.00 10.33 C +ATOM 1261 CD2 LEU A 156 6.622 42.031 35.213 1.00 7.66 C +ATOM 1262 N ARG A 157 1.585 42.535 35.988 1.00 27.72 N +ATOM 1263 CA ARG A 157 0.614 42.130 36.987 1.00 32.62 C +ATOM 1264 C ARG A 157 -0.009 40.790 36.629 1.00 31.80 C +ATOM 1265 O ARG A 157 -0.190 39.937 37.499 1.00 33.93 O +ATOM 1266 CB ARG A 157 -0.493 43.175 37.137 1.00 41.20 C +ATOM 1267 CG ARG A 157 -1.285 42.984 38.413 1.00 49.38 C +ATOM 1268 CD ARG A 157 -2.626 43.684 38.422 1.00 55.27 C +ATOM 1269 NE ARG A 157 -3.250 43.468 39.720 1.00 62.81 N +ATOM 1270 CZ ARG A 157 -3.918 44.388 40.402 1.00 67.00 C +ATOM 1271 NH1 ARG A 157 -4.086 45.595 39.898 1.00 62.82 N +ATOM 1272 NH2 ARG A 157 -4.271 44.154 41.662 1.00 69.44 N +ATOM 1273 N ALA A 158 -0.331 40.601 35.355 1.00 27.82 N +ATOM 1274 CA ALA A 158 -0.938 39.357 34.915 1.00 24.83 C +ATOM 1275 C ALA A 158 0.079 38.224 34.938 1.00 25.12 C +ATOM 1276 O ALA A 158 -0.291 37.052 35.011 1.00 27.06 O +ATOM 1277 CB ALA A 158 -1.541 39.523 33.531 1.00 25.99 C +ATOM 1278 N TYR A 159 1.360 38.571 34.857 1.00 23.59 N +ATOM 1279 CA TYR A 159 2.422 37.582 34.893 1.00 22.54 C +ATOM 1280 C TYR A 159 2.663 37.153 36.347 1.00 26.63 C +ATOM 1281 O TYR A 159 2.585 35.967 36.677 1.00 23.76 O +ATOM 1282 CB TYR A 159 3.722 38.148 34.287 1.00 25.80 C +ATOM 1283 CG TYR A 159 4.942 37.280 34.571 1.00 26.62 C +ATOM 1284 CD1 TYR A 159 4.987 35.946 34.157 1.00 27.21 C +ATOM 1285 CD2 TYR A 159 6.002 37.757 35.348 1.00 34.31 C +ATOM 1286 CE1 TYR A 159 6.041 35.105 34.515 1.00 19.87 C +ATOM 1287 CE2 TYR A 159 7.072 36.914 35.716 1.00 27.78 C +ATOM 1288 CZ TYR A 159 7.073 35.591 35.295 1.00 22.00 C +ATOM 1289 OH TYR A 159 8.091 34.753 35.672 1.00 21.55 O +ATOM 1290 N LEU A 160 2.956 38.132 37.202 1.00 24.74 N +ATOM 1291 CA LEU A 160 3.235 37.919 38.623 1.00 21.36 C +ATOM 1292 C LEU A 160 2.088 37.243 39.378 1.00 21.00 C +ATOM 1293 O LEU A 160 2.295 36.238 40.062 1.00 25.09 O +ATOM 1294 CB LEU A 160 3.580 39.258 39.293 1.00 15.39 C +ATOM 1295 CG LEU A 160 4.726 40.051 38.660 1.00 13.82 C +ATOM 1296 CD1 LEU A 160 4.778 41.477 39.194 1.00 9.75 C +ATOM 1297 CD2 LEU A 160 6.049 39.338 38.881 1.00 12.58 C +ATOM 1298 N GLU A 161 0.885 37.793 39.260 1.00 20.25 N +ATOM 1299 CA GLU A 161 -0.274 37.226 39.940 1.00 26.02 C +ATOM 1300 C GLU A 161 -0.735 35.895 39.375 1.00 32.68 C +ATOM 1301 O GLU A 161 -1.209 35.040 40.120 1.00 42.25 O +ATOM 1302 CB GLU A 161 -1.461 38.182 39.906 1.00 23.35 C +ATOM 1303 CG GLU A 161 -1.278 39.455 40.710 1.00 31.48 C +ATOM 1304 CD GLU A 161 -2.600 40.125 41.056 1.00 34.50 C +ATOM 1305 OE1 GLU A 161 -3.662 39.473 40.948 1.00 34.82 O +ATOM 1306 OE2 GLU A 161 -2.574 41.305 41.457 1.00 42.11 O +ATOM 1307 N GLY A 162 -0.626 35.731 38.058 1.00 35.76 N +ATOM 1308 CA GLY A 162 -1.073 34.508 37.413 1.00 32.58 C +ATOM 1309 C GLY A 162 -0.021 33.505 36.977 1.00 34.74 C +ATOM 1310 O GLY A 162 0.298 32.573 37.710 1.00 40.02 O +ATOM 1311 N THR A 163 0.565 33.715 35.808 1.00 35.21 N +ATOM 1312 CA THR A 163 1.537 32.767 35.274 1.00 35.72 C +ATOM 1313 C THR A 163 2.770 32.444 36.159 1.00 36.49 C +ATOM 1314 O THR A 163 3.169 31.275 36.278 1.00 36.00 O +ATOM 1315 CB THR A 163 1.845 33.053 33.720 1.00 31.66 C +ATOM 1316 OG1 THR A 163 3.253 33.113 33.453 1.00 27.98 O +ATOM 1317 CG2 THR A 163 1.171 34.337 33.240 1.00 33.92 C +ATOM 1318 N CYS A 164 3.298 33.437 36.867 1.00 33.91 N +ATOM 1319 CA CYS A 164 4.456 33.212 37.734 1.00 32.78 C +ATOM 1320 C CYS A 164 4.055 32.199 38.819 1.00 36.15 C +ATOM 1321 O CYS A 164 4.712 31.176 39.039 1.00 34.86 O +ATOM 1322 CB CYS A 164 4.879 34.530 38.386 1.00 32.11 C +ATOM 1323 SG CYS A 164 6.355 34.427 39.457 1.00 35.63 S +ATOM 1324 N VAL A 165 2.911 32.450 39.436 1.00 33.97 N +ATOM 1325 CA VAL A 165 2.421 31.586 40.484 1.00 30.77 C +ATOM 1326 C VAL A 165 2.185 30.180 39.960 1.00 32.10 C +ATOM 1327 O VAL A 165 2.777 29.228 40.456 1.00 33.45 O +ATOM 1328 CB VAL A 165 1.134 32.164 41.103 1.00 27.78 C +ATOM 1329 CG1 VAL A 165 0.501 31.161 42.010 1.00 27.17 C +ATOM 1330 CG2 VAL A 165 1.449 33.433 41.867 1.00 25.00 C +ATOM 1331 N GLU A 166 1.365 30.066 38.920 1.00 37.00 N +ATOM 1332 CA GLU A 166 1.023 28.779 38.313 1.00 42.44 C +ATOM 1333 C GLU A 166 2.236 27.898 38.022 1.00 42.17 C +ATOM 1334 O GLU A 166 2.208 26.678 38.235 1.00 41.21 O +ATOM 1335 CB GLU A 166 0.228 29.006 37.018 1.00 53.25 C +ATOM 1336 CG GLU A 166 -0.290 27.724 36.320 1.00 71.87 C +ATOM 1337 CD GLU A 166 -1.443 27.033 37.070 1.00 82.74 C +ATOM 1338 OE1 GLU A 166 -2.265 27.746 37.694 1.00 89.03 O +ATOM 1339 OE2 GLU A 166 -1.538 25.781 37.023 1.00 84.94 O +ATOM 1340 N TRP A 167 3.305 28.522 37.547 1.00 39.64 N +ATOM 1341 CA TRP A 167 4.511 27.794 37.212 1.00 34.51 C +ATOM 1342 C TRP A 167 5.310 27.363 38.413 1.00 37.19 C +ATOM 1343 O TRP A 167 5.896 26.283 38.396 1.00 39.22 O +ATOM 1344 CB TRP A 167 5.350 28.593 36.207 1.00 34.01 C +ATOM 1345 CG TRP A 167 4.768 28.409 34.854 1.00 32.84 C +ATOM 1346 CD1 TRP A 167 3.643 29.009 34.363 1.00 29.86 C +ATOM 1347 CD2 TRP A 167 5.106 27.380 33.928 1.00 29.54 C +ATOM 1348 NE1 TRP A 167 3.236 28.388 33.216 1.00 24.45 N +ATOM 1349 CE2 TRP A 167 4.117 27.384 32.922 1.00 30.39 C +ATOM 1350 CE3 TRP A 167 6.146 26.439 33.859 1.00 32.42 C +ATOM 1351 CZ2 TRP A 167 4.131 26.481 31.859 1.00 33.54 C +ATOM 1352 CZ3 TRP A 167 6.165 25.540 32.804 1.00 34.73 C +ATOM 1353 CH2 TRP A 167 5.160 25.566 31.816 1.00 35.11 C +ATOM 1354 N LEU A 168 5.310 28.190 39.462 1.00 39.09 N +ATOM 1355 CA LEU A 168 6.036 27.888 40.698 1.00 34.13 C +ATOM 1356 C LEU A 168 5.438 26.638 41.298 1.00 32.93 C +ATOM 1357 O LEU A 168 6.164 25.747 41.707 1.00 34.99 O +ATOM 1358 CB LEU A 168 5.934 29.038 41.698 1.00 30.67 C +ATOM 1359 CG LEU A 168 6.511 28.865 43.110 1.00 24.83 C +ATOM 1360 CD1 LEU A 168 8.013 28.722 43.114 1.00 22.65 C +ATOM 1361 CD2 LEU A 168 6.087 30.062 43.934 1.00 19.99 C +ATOM 1362 N ARG A 169 4.111 26.578 41.342 1.00 30.17 N +ATOM 1363 CA ARG A 169 3.425 25.411 41.873 1.00 29.02 C +ATOM 1364 C ARG A 169 3.855 24.191 41.094 1.00 30.42 C +ATOM 1365 O ARG A 169 4.099 23.141 41.674 1.00 37.40 O +ATOM 1366 CB ARG A 169 1.914 25.565 41.757 1.00 28.28 C +ATOM 1367 CG ARG A 169 1.347 26.667 42.623 1.00 30.50 C +ATOM 1368 CD ARG A 169 -0.144 26.771 42.440 1.00 29.21 C +ATOM 1369 NE ARG A 169 -0.605 28.078 42.880 1.00 32.23 N +ATOM 1370 CZ ARG A 169 -1.612 28.737 42.321 1.00 34.51 C +ATOM 1371 NH1 ARG A 169 -2.262 28.205 41.301 1.00 37.48 N +ATOM 1372 NH2 ARG A 169 -1.970 29.931 42.777 1.00 33.86 N +ATOM 1373 N ARG A 170 3.957 24.342 39.777 1.00 35.58 N +ATOM 1374 CA ARG A 170 4.373 23.251 38.892 1.00 35.85 C +ATOM 1375 C ARG A 170 5.764 22.798 39.308 1.00 33.74 C +ATOM 1376 O ARG A 170 5.978 21.642 39.628 1.00 35.36 O +ATOM 1377 CB ARG A 170 4.376 23.719 37.412 1.00 31.64 C +ATOM 1378 N TYR A 171 6.689 23.744 39.368 1.00 36.06 N +ATOM 1379 CA TYR A 171 8.064 23.462 39.745 1.00 34.87 C +ATOM 1380 C TYR A 171 8.138 22.794 41.117 1.00 35.91 C +ATOM 1381 O TYR A 171 8.761 21.748 41.285 1.00 37.26 O +ATOM 1382 CB TYR A 171 8.872 24.760 39.720 1.00 30.82 C +ATOM 1383 CG TYR A 171 8.971 25.386 38.341 1.00 37.84 C +ATOM 1384 CD1 TYR A 171 8.839 24.610 37.191 1.00 36.00 C +ATOM 1385 CD2 TYR A 171 9.181 26.757 38.184 1.00 39.98 C +ATOM 1386 CE1 TYR A 171 8.911 25.178 35.925 1.00 38.11 C +ATOM 1387 CE2 TYR A 171 9.255 27.338 36.913 1.00 39.50 C +ATOM 1388 CZ TYR A 171 9.114 26.537 35.788 1.00 37.97 C +ATOM 1389 OH TYR A 171 9.156 27.099 34.528 1.00 38.42 O +ATOM 1390 N LEU A 172 7.448 23.376 42.085 1.00 35.11 N +ATOM 1391 CA LEU A 172 7.422 22.841 43.426 1.00 35.60 C +ATOM 1392 C LEU A 172 6.968 21.387 43.347 1.00 39.85 C +ATOM 1393 O LEU A 172 7.692 20.479 43.754 1.00 43.67 O +ATOM 1394 CB LEU A 172 6.464 23.659 44.312 1.00 28.84 C +ATOM 1395 CG LEU A 172 6.821 25.131 44.596 1.00 23.20 C +ATOM 1396 CD1 LEU A 172 5.708 25.834 45.348 1.00 12.56 C +ATOM 1397 CD2 LEU A 172 8.124 25.229 45.345 1.00 22.84 C +ATOM 1398 N GLU A 173 5.833 21.160 42.700 1.00 41.08 N +ATOM 1399 CA GLU A 173 5.288 19.819 42.590 1.00 44.15 C +ATOM 1400 C GLU A 173 6.204 18.817 41.877 1.00 48.07 C +ATOM 1401 O GLU A 173 6.418 17.711 42.378 1.00 55.01 O +ATOM 1402 CB GLU A 173 3.875 19.860 41.978 1.00 45.29 C +ATOM 1403 CG GLU A 173 3.119 18.530 42.016 1.00 60.31 C +ATOM 1404 CD GLU A 173 3.048 17.877 43.417 1.00 73.48 C +ATOM 1405 OE1 GLU A 173 3.279 18.557 44.446 1.00 79.94 O +ATOM 1406 OE2 GLU A 173 2.752 16.661 43.492 1.00 77.61 O +ATOM 1407 N ASN A 174 6.795 19.203 40.751 1.00 48.91 N +ATOM 1408 CA ASN A 174 7.676 18.281 40.022 1.00 47.00 C +ATOM 1409 C ASN A 174 9.004 18.132 40.751 1.00 45.94 C +ATOM 1410 O ASN A 174 9.668 17.102 40.639 1.00 46.86 O +ATOM 1411 CB ASN A 174 7.939 18.755 38.580 1.00 48.97 C +ATOM 1412 CG ASN A 174 6.661 18.978 37.780 1.00 50.90 C +ATOM 1413 OD1 ASN A 174 6.550 19.950 37.031 1.00 55.15 O +ATOM 1414 ND2 ASN A 174 5.691 18.088 37.937 1.00 50.55 N +ATOM 1415 N GLY A 175 9.396 19.178 41.471 1.00 45.11 N +ATOM 1416 CA GLY A 175 10.650 19.154 42.204 1.00 50.30 C +ATOM 1417 C GLY A 175 10.484 18.859 43.688 1.00 52.79 C +ATOM 1418 O GLY A 175 11.427 19.024 44.471 1.00 51.17 O +ATOM 1419 N LYS A 176 9.305 18.364 44.053 1.00 52.16 N +ATOM 1420 CA LYS A 176 8.945 18.043 45.428 1.00 58.43 C +ATOM 1421 C LYS A 176 10.107 17.683 46.347 1.00 60.18 C +ATOM 1422 O LYS A 176 10.447 18.450 47.254 1.00 62.70 O +ATOM 1423 CB LYS A 176 7.915 16.916 45.435 1.00 62.46 C +ATOM 1424 CG LYS A 176 7.213 16.693 46.774 1.00 65.61 C +ATOM 1425 CD LYS A 176 6.132 15.621 46.630 1.00 69.31 C +ATOM 1426 CE LYS A 176 5.202 15.582 47.831 1.00 72.32 C +ATOM 1427 NZ LYS A 176 3.999 14.744 47.565 1.00 68.47 N +ATOM 1428 N GLU A 177 10.743 16.548 46.068 1.00 58.52 N +ATOM 1429 CA GLU A 177 11.850 16.075 46.882 1.00 53.22 C +ATOM 1430 C GLU A 177 12.915 17.100 47.214 1.00 50.45 C +ATOM 1431 O GLU A 177 13.388 17.142 48.345 1.00 47.86 O +ATOM 1432 N THR A 178 13.306 17.904 46.229 1.00 48.17 N +ATOM 1433 CA THR A 178 14.332 18.920 46.429 1.00 50.94 C +ATOM 1434 C THR A 178 13.796 20.208 47.049 1.00 52.73 C +ATOM 1435 O THR A 178 14.287 20.673 48.080 1.00 56.83 O +ATOM 1436 CB THR A 178 15.023 19.298 45.084 1.00 52.55 C +ATOM 1437 OG1 THR A 178 15.734 18.166 44.572 1.00 55.39 O +ATOM 1438 CG2 THR A 178 15.998 20.472 45.257 1.00 50.19 C +ATOM 1439 N LEU A 179 12.799 20.791 46.398 1.00 51.21 N +ATOM 1440 CA LEU A 179 12.226 22.058 46.832 1.00 46.68 C +ATOM 1441 C LEU A 179 11.506 22.066 48.168 1.00 45.03 C +ATOM 1442 O LEU A 179 11.686 22.987 48.969 1.00 43.43 O +ATOM 1443 CB LEU A 179 11.304 22.590 45.740 1.00 44.15 C +ATOM 1444 CG LEU A 179 12.016 22.763 44.405 1.00 42.03 C +ATOM 1445 CD1 LEU A 179 11.023 23.204 43.342 1.00 46.71 C +ATOM 1446 CD2 LEU A 179 13.145 23.769 44.579 1.00 34.31 C +ATOM 1447 N GLN A 180 10.661 21.071 48.396 1.00 44.13 N +ATOM 1448 CA GLN A 180 9.909 21.009 49.636 1.00 47.24 C +ATOM 1449 C GLN A 180 10.678 20.278 50.744 1.00 49.52 C +ATOM 1450 O GLN A 180 10.211 19.273 51.291 1.00 50.99 O +ATOM 1451 CB GLN A 180 8.548 20.369 49.370 1.00 47.73 C +ATOM 1452 CG GLN A 180 7.662 21.193 48.464 1.00 46.29 C +ATOM 1453 CD GLN A 180 6.260 20.643 48.381 1.00 55.18 C +ATOM 1454 OE1 GLN A 180 5.749 20.388 47.294 1.00 62.17 O +ATOM 1455 NE2 GLN A 180 5.630 20.441 49.535 1.00 58.78 N +ATOM 1456 N ARG A 181 11.854 20.796 51.084 1.00 49.29 N +ATOM 1457 CA ARG A 181 12.672 20.175 52.116 1.00 47.24 C +ATOM 1458 C ARG A 181 13.319 21.190 53.052 1.00 45.77 C +ATOM 1459 O ARG A 181 13.522 22.362 52.702 1.00 39.32 O +ATOM 1460 CB ARG A 181 13.752 19.279 51.498 1.00 46.81 C +ATOM 1461 CG ARG A 181 15.029 20.011 51.114 1.00 51.99 C +ATOM 1462 CD ARG A 181 16.052 19.070 50.512 1.00 57.90 C +ATOM 1463 NE ARG A 181 17.378 19.682 50.477 1.00 63.94 N +ATOM 1464 CZ ARG A 181 17.726 20.702 49.696 1.00 65.10 C +ATOM 1465 NH1 ARG A 181 16.846 21.248 48.864 1.00 60.87 N +ATOM 1466 NH2 ARG A 181 18.969 21.168 49.741 1.00 65.16 N +ATOM 1467 N THR A 182 13.662 20.691 54.235 1.00 46.69 N +ATOM 1468 CA THR A 182 14.289 21.478 55.272 1.00 47.41 C +ATOM 1469 C THR A 182 15.373 20.681 55.966 1.00 46.61 C +ATOM 1470 O THR A 182 15.098 19.755 56.730 1.00 50.82 O +ATOM 1471 CB THR A 182 13.274 21.912 56.327 1.00 49.37 C +ATOM 1472 OG1 THR A 182 12.231 22.674 55.703 1.00 54.13 O +ATOM 1473 CG2 THR A 182 13.954 22.753 57.385 1.00 51.16 C +ATOM 1474 N ASP A 183 16.612 21.031 55.661 1.00 48.04 N +ATOM 1475 CA ASP A 183 17.768 20.399 56.263 1.00 46.03 C +ATOM 1476 C ASP A 183 18.209 21.328 57.395 1.00 44.61 C +ATOM 1477 O ASP A 183 18.564 22.487 57.156 1.00 44.63 O +ATOM 1478 CB ASP A 183 18.883 20.250 55.224 1.00 48.60 C +ATOM 1479 CG ASP A 183 18.535 19.252 54.124 1.00 55.68 C +ATOM 1480 OD1 ASP A 183 17.521 18.529 54.266 1.00 58.30 O +ATOM 1481 OD2 ASP A 183 19.286 19.180 53.121 1.00 60.96 O +ATOM 1482 N ALA A 184 18.087 20.862 58.632 1.00 40.60 N +ATOM 1483 CA ALA A 184 18.486 21.677 59.776 1.00 37.27 C +ATOM 1484 C ALA A 184 20.006 21.701 59.837 1.00 33.05 C +ATOM 1485 O ALA A 184 20.674 20.826 59.291 1.00 33.98 O +ATOM 1486 CB ALA A 184 17.896 21.122 61.082 1.00 41.27 C +ATOM 1487 N PRO A 185 20.572 22.722 60.482 1.00 30.20 N +ATOM 1488 CA PRO A 185 22.028 22.791 60.565 1.00 33.72 C +ATOM 1489 C PRO A 185 22.674 21.789 61.524 1.00 38.84 C +ATOM 1490 O PRO A 185 22.141 21.489 62.601 1.00 36.40 O +ATOM 1491 CB PRO A 185 22.272 24.240 60.981 1.00 32.85 C +ATOM 1492 CG PRO A 185 21.064 24.563 61.801 1.00 32.15 C +ATOM 1493 CD PRO A 185 19.939 23.920 61.052 1.00 30.30 C +ATOM 1494 N LYS A 186 23.777 21.207 61.063 1.00 39.54 N +ATOM 1495 CA LYS A 186 24.557 20.267 61.849 1.00 43.53 C +ATOM 1496 C LYS A 186 25.615 21.163 62.482 1.00 42.99 C +ATOM 1497 O LYS A 186 26.587 21.563 61.835 1.00 42.63 O +ATOM 1498 CB LYS A 186 25.225 19.214 60.960 1.00 44.25 C +ATOM 1499 CG LYS A 186 24.298 18.226 60.270 1.00 44.19 C +ATOM 1500 CD LYS A 186 25.134 17.329 59.364 1.00 55.05 C +ATOM 1501 CE LYS A 186 24.301 16.590 58.317 1.00 64.44 C +ATOM 1502 NZ LYS A 186 25.156 16.192 57.141 1.00 64.23 N +ATOM 1503 N THR A 187 25.394 21.502 63.742 1.00 43.83 N +ATOM 1504 CA THR A 187 26.269 22.389 64.487 1.00 40.53 C +ATOM 1505 C THR A 187 27.350 21.689 65.317 1.00 39.16 C +ATOM 1506 O THR A 187 27.317 20.466 65.490 1.00 36.78 O +ATOM 1507 CB THR A 187 25.397 23.283 65.389 1.00 43.36 C +ATOM 1508 OG1 THR A 187 24.362 22.484 65.991 1.00 43.38 O +ATOM 1509 CG2 THR A 187 24.732 24.379 64.564 1.00 40.64 C +ATOM 1510 N HIS A 188 28.347 22.470 65.749 1.00 38.35 N +ATOM 1511 CA HIS A 188 29.461 22.002 66.595 1.00 34.02 C +ATOM 1512 C HIS A 188 30.331 23.208 66.935 1.00 31.83 C +ATOM 1513 O HIS A 188 30.122 24.273 66.370 1.00 34.03 O +ATOM 1514 CB HIS A 188 30.284 20.899 65.915 1.00 36.88 C +ATOM 1515 CG HIS A 188 31.216 21.387 64.848 1.00 37.59 C +ATOM 1516 ND1 HIS A 188 30.779 21.878 63.638 1.00 36.38 N +ATOM 1517 CD2 HIS A 188 32.569 21.435 64.806 1.00 35.57 C +ATOM 1518 CE1 HIS A 188 31.821 22.209 62.895 1.00 32.68 C +ATOM 1519 NE2 HIS A 188 32.918 21.950 63.583 1.00 31.95 N +ATOM 1520 N MET A 189 31.322 23.047 67.809 1.00 32.67 N +ATOM 1521 CA MET A 189 32.170 24.173 68.198 1.00 27.82 C +ATOM 1522 C MET A 189 33.661 23.862 68.217 1.00 28.34 C +ATOM 1523 O MET A 189 34.064 22.744 68.524 1.00 26.56 O +ATOM 1524 CB MET A 189 31.735 24.691 69.575 1.00 31.45 C +ATOM 1525 CG MET A 189 32.270 26.078 69.930 1.00 40.52 C +ATOM 1526 SD MET A 189 31.619 26.778 71.488 1.00 42.33 S +ATOM 1527 CE MET A 189 29.924 26.480 71.320 1.00 39.54 C +ATOM 1528 N THR A 190 34.473 24.827 67.792 1.00 33.73 N +ATOM 1529 CA THR A 190 35.923 24.670 67.812 1.00 37.23 C +ATOM 1530 C THR A 190 36.573 25.719 68.740 1.00 36.55 C +ATOM 1531 O THR A 190 35.939 26.705 69.156 1.00 31.48 O +ATOM 1532 CB THR A 190 36.584 24.634 66.368 1.00 40.87 C +ATOM 1533 OG1 THR A 190 36.399 25.880 65.670 1.00 44.65 O +ATOM 1534 CG2 THR A 190 35.995 23.502 65.552 1.00 36.57 C +ATOM 1535 N HIS A 191 37.838 25.485 69.069 1.00 34.82 N +ATOM 1536 CA HIS A 191 38.584 26.339 69.973 1.00 32.17 C +ATOM 1537 C HIS A 191 39.979 26.575 69.410 1.00 34.82 C +ATOM 1538 O HIS A 191 40.796 25.661 69.346 1.00 41.03 O +ATOM 1539 CB HIS A 191 38.668 25.620 71.331 1.00 29.67 C +ATOM 1540 CG HIS A 191 39.388 26.383 72.396 1.00 24.92 C +ATOM 1541 ND1 HIS A 191 40.740 26.238 72.642 1.00 24.39 N +ATOM 1542 CD2 HIS A 191 38.938 27.275 73.304 1.00 21.71 C +ATOM 1543 CE1 HIS A 191 41.089 27.008 73.654 1.00 22.63 C +ATOM 1544 NE2 HIS A 191 40.013 27.649 74.074 1.00 33.51 N +ATOM 1545 N HIS A 192 40.231 27.787 68.945 1.00 41.15 N +ATOM 1546 CA HIS A 192 41.537 28.120 68.409 1.00 45.22 C +ATOM 1547 C HIS A 192 42.220 29.029 69.414 1.00 49.03 C +ATOM 1548 O HIS A 192 41.545 29.696 70.200 1.00 51.26 O +ATOM 1549 N ALA A 193 43.546 29.025 69.433 1.00 51.89 N +ATOM 1550 CA ALA A 193 44.306 29.866 70.354 1.00 55.24 C +ATOM 1551 C ALA A 193 45.764 29.867 69.937 1.00 57.13 C +ATOM 1552 O ALA A 193 46.360 28.811 69.727 1.00 57.16 O +ATOM 1553 CB ALA A 193 44.178 29.341 71.778 1.00 54.79 C +ATOM 1554 N VAL A 194 46.328 31.053 69.775 1.00 61.37 N +ATOM 1555 CA VAL A 194 47.728 31.176 69.379 1.00 65.95 C +ATOM 1556 C VAL A 194 48.501 31.950 70.448 1.00 66.72 C +ATOM 1557 O VAL A 194 49.686 32.251 70.287 1.00 63.69 O +ATOM 1558 CB VAL A 194 47.839 31.865 67.997 1.00 70.79 C +ATOM 1559 CG1 VAL A 194 49.293 31.970 67.554 1.00 73.89 C +ATOM 1560 CG2 VAL A 194 47.035 31.079 66.963 1.00 73.04 C +ATOM 1561 N SER A 195 47.828 32.208 71.568 1.00 72.16 N +ATOM 1562 CA SER A 195 48.414 32.937 72.692 1.00 76.41 C +ATOM 1563 C SER A 195 48.003 32.328 74.036 1.00 76.75 C +ATOM 1564 O SER A 195 47.003 31.607 74.126 1.00 75.80 O +ATOM 1565 CB SER A 195 48.008 34.416 72.646 1.00 79.09 C +ATOM 1566 OG SER A 195 48.466 35.119 73.796 1.00 81.00 O +ATOM 1567 N ASP A 196 48.759 32.658 75.081 1.00 75.45 N +ATOM 1568 CA ASP A 196 48.489 32.144 76.414 1.00 73.57 C +ATOM 1569 C ASP A 196 47.580 33.006 77.275 1.00 70.34 C +ATOM 1570 O ASP A 196 47.752 33.072 78.492 1.00 70.67 O +ATOM 1571 CB ASP A 196 49.794 31.850 77.148 1.00 75.18 C +ATOM 1572 CG ASP A 196 49.922 30.385 77.524 1.00 81.34 C +ATOM 1573 OD1 ASP A 196 49.707 29.518 76.646 1.00 84.19 O +ATOM 1574 OD2 ASP A 196 50.224 30.091 78.699 1.00 84.84 O +ATOM 1575 N HIS A 197 46.615 33.668 76.644 1.00 65.64 N +ATOM 1576 CA HIS A 197 45.663 34.497 77.373 1.00 63.57 C +ATOM 1577 C HIS A 197 44.363 34.687 76.609 1.00 58.45 C +ATOM 1578 O HIS A 197 43.343 35.014 77.204 1.00 58.25 O +ATOM 1579 CB HIS A 197 46.270 35.857 77.765 1.00 70.21 C +ATOM 1580 CG HIS A 197 46.411 36.827 76.631 1.00 77.99 C +ATOM 1581 ND1 HIS A 197 47.371 36.701 75.650 1.00 81.33 N +ATOM 1582 CD2 HIS A 197 45.733 37.968 76.344 1.00 81.07 C +ATOM 1583 CE1 HIS A 197 47.280 37.716 74.808 1.00 79.97 C +ATOM 1584 NE2 HIS A 197 46.293 38.499 75.208 1.00 81.39 N +ATOM 1585 N GLU A 198 44.409 34.452 75.297 1.00 54.78 N +ATOM 1586 CA GLU A 198 43.255 34.595 74.409 1.00 47.53 C +ATOM 1587 C GLU A 198 43.106 33.372 73.528 1.00 44.95 C +ATOM 1588 O GLU A 198 44.071 32.921 72.894 1.00 44.62 O +ATOM 1589 CB GLU A 198 43.408 35.816 73.494 1.00 47.17 C +ATOM 1590 CG GLU A 198 42.947 37.133 74.094 1.00 52.74 C +ATOM 1591 CD GLU A 198 43.024 38.295 73.115 1.00 54.99 C +ATOM 1592 OE1 GLU A 198 44.028 38.409 72.373 1.00 50.92 O +ATOM 1593 OE2 GLU A 198 42.067 39.100 73.105 1.00 57.87 O +ATOM 1594 N ALA A 199 41.880 32.870 73.463 1.00 41.22 N +ATOM 1595 CA ALA A 199 41.539 31.710 72.649 1.00 38.63 C +ATOM 1596 C ALA A 199 40.272 32.078 71.893 1.00 37.22 C +ATOM 1597 O ALA A 199 39.332 32.607 72.482 1.00 39.22 O +ATOM 1598 CB ALA A 199 41.289 30.493 73.531 1.00 37.27 C +ATOM 1599 N THR A 200 40.260 31.826 70.591 1.00 34.59 N +ATOM 1600 CA THR A 200 39.109 32.134 69.762 1.00 34.82 C +ATOM 1601 C THR A 200 38.145 30.959 69.749 1.00 32.29 C +ATOM 1602 O THR A 200 38.542 29.826 69.476 1.00 30.94 O +ATOM 1603 CB THR A 200 39.557 32.450 68.326 1.00 42.76 C +ATOM 1604 OG1 THR A 200 40.622 33.415 68.360 1.00 48.66 O +ATOM 1605 CG2 THR A 200 38.390 33.010 67.505 1.00 43.16 C +ATOM 1606 N LEU A 201 36.879 31.235 70.033 1.00 26.65 N +ATOM 1607 CA LEU A 201 35.850 30.206 70.076 1.00 30.30 C +ATOM 1608 C LEU A 201 34.922 30.358 68.858 1.00 34.31 C +ATOM 1609 O LEU A 201 34.178 31.349 68.775 1.00 35.59 O +ATOM 1610 CB LEU A 201 35.056 30.384 71.368 1.00 27.92 C +ATOM 1611 CG LEU A 201 34.693 29.196 72.253 1.00 22.60 C +ATOM 1612 CD1 LEU A 201 35.919 28.443 72.703 1.00 17.54 C +ATOM 1613 CD2 LEU A 201 33.971 29.767 73.446 1.00 20.61 C +ATOM 1614 N ARG A 202 34.948 29.382 67.937 1.00 31.37 N +ATOM 1615 CA ARG A 202 34.134 29.419 66.705 1.00 25.69 C +ATOM 1616 C ARG A 202 32.967 28.445 66.714 1.00 22.71 C +ATOM 1617 O ARG A 202 33.151 27.257 66.913 1.00 28.11 O +ATOM 1618 CB ARG A 202 35.017 29.145 65.485 1.00 28.04 C +ATOM 1619 CG ARG A 202 34.299 29.201 64.128 1.00 33.03 C +ATOM 1620 CD ARG A 202 35.294 29.338 62.960 1.00 33.00 C +ATOM 1621 NE ARG A 202 36.001 30.625 63.004 1.00 37.79 N +ATOM 1622 CZ ARG A 202 37.326 30.767 63.029 1.00 38.77 C +ATOM 1623 NH1 ARG A 202 38.119 29.702 63.008 1.00 40.22 N +ATOM 1624 NH2 ARG A 202 37.866 31.979 63.100 1.00 36.20 N +ATOM 1625 N CYS A 203 31.768 28.951 66.466 1.00 19.09 N +ATOM 1626 CA CYS A 203 30.557 28.142 66.462 1.00 21.27 C +ATOM 1627 C CYS A 203 30.074 27.955 65.035 1.00 26.51 C +ATOM 1628 O CYS A 203 29.844 28.934 64.333 1.00 31.47 O +ATOM 1629 CB CYS A 203 29.490 28.838 67.280 1.00 20.91 C +ATOM 1630 SG CYS A 203 27.855 28.076 67.163 1.00 36.86 S +ATOM 1631 N TRP A 204 29.871 26.702 64.630 1.00 30.54 N +ATOM 1632 CA TRP A 204 29.473 26.369 63.260 1.00 27.85 C +ATOM 1633 C TRP A 204 28.055 25.927 62.977 1.00 27.06 C +ATOM 1634 O TRP A 204 27.399 25.310 63.800 1.00 29.48 O +ATOM 1635 CB TRP A 204 30.365 25.260 62.723 1.00 25.87 C +ATOM 1636 CG TRP A 204 31.782 25.603 62.611 1.00 28.19 C +ATOM 1637 CD1 TRP A 204 32.671 25.732 63.624 1.00 32.60 C +ATOM 1638 CD2 TRP A 204 32.513 25.798 61.403 1.00 34.29 C +ATOM 1639 NE1 TRP A 204 33.923 25.993 63.128 1.00 38.36 N +ATOM 1640 CE2 TRP A 204 33.856 26.036 61.763 1.00 39.39 C +ATOM 1641 CE3 TRP A 204 32.165 25.789 60.045 1.00 35.29 C +ATOM 1642 CZ2 TRP A 204 34.856 26.262 60.818 1.00 45.03 C +ATOM 1643 CZ3 TRP A 204 33.150 26.012 59.109 1.00 38.75 C +ATOM 1644 CH2 TRP A 204 34.485 26.246 59.496 1.00 44.04 C +ATOM 1645 N ALA A 205 27.667 26.115 61.725 1.00 27.66 N +ATOM 1646 CA ALA A 205 26.370 25.705 61.222 1.00 27.66 C +ATOM 1647 C ALA A 205 26.652 25.241 59.777 1.00 32.71 C +ATOM 1648 O ALA A 205 27.097 26.029 58.927 1.00 33.59 O +ATOM 1649 CB ALA A 205 25.404 26.866 61.255 1.00 22.35 C +ATOM 1650 N LEU A 206 26.493 23.944 59.528 1.00 31.28 N +ATOM 1651 CA LEU A 206 26.752 23.388 58.204 1.00 30.09 C +ATOM 1652 C LEU A 206 25.585 22.546 57.682 1.00 29.36 C +ATOM 1653 O LEU A 206 24.664 22.230 58.431 1.00 28.76 O +ATOM 1654 CB LEU A 206 28.006 22.523 58.243 1.00 29.24 C +ATOM 1655 CG LEU A 206 29.235 23.120 58.920 1.00 33.69 C +ATOM 1656 CD1 LEU A 206 30.357 22.084 59.025 1.00 37.70 C +ATOM 1657 CD2 LEU A 206 29.688 24.338 58.160 1.00 33.25 C +ATOM 1658 N SER A 207 25.623 22.235 56.386 1.00 30.11 N +ATOM 1659 CA SER A 207 24.620 21.420 55.702 1.00 29.47 C +ATOM 1660 C SER A 207 23.159 21.796 55.950 1.00 24.30 C +ATOM 1661 O SER A 207 22.298 20.917 56.046 1.00 23.58 O +ATOM 1662 CB SER A 207 24.846 19.948 56.044 1.00 35.35 C +ATOM 1663 OG SER A 207 26.234 19.643 55.992 1.00 49.11 O +ATOM 1664 N PHE A 208 22.881 23.095 56.019 1.00 20.35 N +ATOM 1665 CA PHE A 208 21.523 23.560 56.252 1.00 18.50 C +ATOM 1666 C PHE A 208 20.896 24.155 55.014 1.00 24.74 C +ATOM 1667 O PHE A 208 21.593 24.668 54.132 1.00 23.98 O +ATOM 1668 CB PHE A 208 21.462 24.563 57.400 1.00 19.69 C +ATOM 1669 CG PHE A 208 22.264 25.810 57.173 1.00 23.09 C +ATOM 1670 CD1 PHE A 208 21.709 26.897 56.502 1.00 26.01 C +ATOM 1671 CD2 PHE A 208 23.561 25.911 57.656 1.00 24.50 C +ATOM 1672 CE1 PHE A 208 22.432 28.065 56.317 1.00 18.89 C +ATOM 1673 CE2 PHE A 208 24.297 27.075 57.478 1.00 26.12 C +ATOM 1674 CZ PHE A 208 23.729 28.154 56.807 1.00 28.34 C +ATOM 1675 N TYR A 209 19.575 24.029 54.950 1.00 28.51 N +ATOM 1676 CA TYR A 209 18.764 24.521 53.850 1.00 28.82 C +ATOM 1677 C TYR A 209 17.360 24.704 54.399 1.00 32.95 C +ATOM 1678 O TYR A 209 16.875 23.869 55.159 1.00 35.34 O +ATOM 1679 CB TYR A 209 18.711 23.515 52.689 1.00 31.67 C +ATOM 1680 CG TYR A 209 17.949 24.057 51.486 1.00 28.02 C +ATOM 1681 CD1 TYR A 209 18.599 24.824 50.509 1.00 25.75 C +ATOM 1682 CD2 TYR A 209 16.563 23.906 51.388 1.00 25.93 C +ATOM 1683 CE1 TYR A 209 17.882 25.435 49.476 1.00 31.58 C +ATOM 1684 CE2 TYR A 209 15.842 24.515 50.363 1.00 34.32 C +ATOM 1685 CZ TYR A 209 16.503 25.288 49.411 1.00 30.45 C +ATOM 1686 OH TYR A 209 15.765 25.959 48.448 1.00 24.10 O +ATOM 1687 N PRO A 210 16.698 25.817 54.057 1.00 32.61 N +ATOM 1688 CA PRO A 210 17.175 26.930 53.234 1.00 30.71 C +ATOM 1689 C PRO A 210 18.345 27.684 53.833 1.00 28.08 C +ATOM 1690 O PRO A 210 18.936 27.235 54.814 1.00 26.61 O +ATOM 1691 CB PRO A 210 15.928 27.800 53.085 1.00 35.65 C +ATOM 1692 CG PRO A 210 15.094 27.435 54.271 1.00 40.55 C +ATOM 1693 CD PRO A 210 15.260 25.950 54.310 1.00 34.29 C +ATOM 1694 N ALA A 211 18.675 28.827 53.242 1.00 26.72 N +ATOM 1695 CA ALA A 211 19.812 29.626 53.694 1.00 28.46 C +ATOM 1696 C ALA A 211 19.584 30.572 54.892 1.00 26.76 C +ATOM 1697 O ALA A 211 20.543 31.135 55.435 1.00 28.02 O +ATOM 1698 CB ALA A 211 20.424 30.384 52.495 1.00 17.37 C +ATOM 1699 N GLU A 212 18.333 30.745 55.308 1.00 29.90 N +ATOM 1700 CA GLU A 212 18.017 31.618 56.444 1.00 33.23 C +ATOM 1701 C GLU A 212 18.477 31.028 57.789 1.00 33.04 C +ATOM 1702 O GLU A 212 18.024 29.944 58.209 1.00 26.60 O +ATOM 1703 CB GLU A 212 16.515 31.907 56.503 1.00 37.90 C +ATOM 1704 CG GLU A 212 16.162 33.388 56.453 1.00 45.08 C +ATOM 1705 CD GLU A 212 16.901 34.209 57.491 1.00 48.80 C +ATOM 1706 OE1 GLU A 212 16.481 34.187 58.669 1.00 56.53 O +ATOM 1707 OE2 GLU A 212 17.900 34.875 57.132 1.00 49.76 O +ATOM 1708 N ILE A 213 19.339 31.769 58.480 1.00 29.71 N +ATOM 1709 CA ILE A 213 19.869 31.315 59.755 1.00 35.67 C +ATOM 1710 C ILE A 213 20.331 32.498 60.612 1.00 38.58 C +ATOM 1711 O ILE A 213 20.741 33.539 60.093 1.00 39.60 O +ATOM 1712 CB ILE A 213 21.059 30.314 59.526 1.00 32.44 C +ATOM 1713 CG1 ILE A 213 21.135 29.290 60.665 1.00 34.63 C +ATOM 1714 CG2 ILE A 213 22.391 31.059 59.387 1.00 22.34 C +ATOM 1715 CD1 ILE A 213 22.245 28.227 60.496 1.00 28.94 C +ATOM 1716 N THR A 214 20.226 32.342 61.927 1.00 42.61 N +ATOM 1717 CA THR A 214 20.668 33.367 62.868 1.00 41.82 C +ATOM 1718 C THR A 214 21.644 32.691 63.840 1.00 38.70 C +ATOM 1719 O THR A 214 21.308 31.713 64.510 1.00 35.25 O +ATOM 1720 CB THR A 214 19.477 33.988 63.616 1.00 45.99 C +ATOM 1721 OG1 THR A 214 18.532 34.507 62.664 1.00 41.67 O +ATOM 1722 CG2 THR A 214 19.954 35.109 64.543 1.00 48.26 C +ATOM 1723 N LEU A 215 22.882 33.163 63.810 1.00 36.85 N +ATOM 1724 CA LEU A 215 23.956 32.635 64.630 1.00 34.17 C +ATOM 1725 C LEU A 215 24.408 33.752 65.559 1.00 38.72 C +ATOM 1726 O LEU A 215 24.878 34.788 65.084 1.00 44.04 O +ATOM 1727 CB LEU A 215 25.114 32.233 63.721 1.00 25.14 C +ATOM 1728 CG LEU A 215 25.830 30.942 64.067 1.00 21.31 C +ATOM 1729 CD1 LEU A 215 24.892 29.786 63.802 1.00 17.86 C +ATOM 1730 CD2 LEU A 215 27.106 30.824 63.253 1.00 21.97 C +ATOM 1731 N THR A 216 24.337 33.523 66.870 1.00 45.70 N +ATOM 1732 CA THR A 216 24.714 34.557 67.842 1.00 50.41 C +ATOM 1733 C THR A 216 25.480 34.115 69.109 1.00 49.61 C +ATOM 1734 O THR A 216 25.122 33.124 69.756 1.00 49.93 O +ATOM 1735 CB THR A 216 23.460 35.331 68.292 1.00 51.53 C +ATOM 1736 OG1 THR A 216 22.318 34.862 67.557 1.00 63.52 O +ATOM 1737 CG2 THR A 216 23.638 36.811 68.044 1.00 56.31 C +ATOM 1738 N TRP A 217 26.522 34.874 69.455 1.00 45.68 N +ATOM 1739 CA TRP A 217 27.346 34.627 70.638 1.00 41.10 C +ATOM 1740 C TRP A 217 26.886 35.538 71.772 1.00 44.58 C +ATOM 1741 O TRP A 217 26.587 36.721 71.559 1.00 43.98 O +ATOM 1742 CB TRP A 217 28.820 34.943 70.368 1.00 39.89 C +ATOM 1743 CG TRP A 217 29.633 33.824 69.800 1.00 44.12 C +ATOM 1744 CD1 TRP A 217 30.285 33.820 68.599 1.00 50.60 C +ATOM 1745 CD2 TRP A 217 29.939 32.569 70.422 1.00 43.10 C +ATOM 1746 NE1 TRP A 217 30.974 32.645 68.440 1.00 50.96 N +ATOM 1747 CE2 TRP A 217 30.780 31.859 69.541 1.00 41.89 C +ATOM 1748 CE3 TRP A 217 29.586 31.977 71.639 1.00 47.99 C +ATOM 1749 CZ2 TRP A 217 31.272 30.589 69.837 1.00 41.64 C +ATOM 1750 CZ3 TRP A 217 30.077 30.709 71.933 1.00 47.78 C +ATOM 1751 CH2 TRP A 217 30.911 30.031 71.033 1.00 44.94 C +ATOM 1752 N GLN A 218 26.875 34.993 72.982 1.00 45.81 N +ATOM 1753 CA GLN A 218 26.484 35.729 74.168 1.00 45.74 C +ATOM 1754 C GLN A 218 27.472 35.410 75.275 1.00 51.92 C +ATOM 1755 O GLN A 218 28.047 34.313 75.307 1.00 52.59 O +ATOM 1756 CB GLN A 218 25.104 35.287 74.639 1.00 44.46 C +ATOM 1757 CG GLN A 218 23.949 35.673 73.744 1.00 50.51 C +ATOM 1758 CD GLN A 218 22.611 35.268 74.341 1.00 54.19 C +ATOM 1759 OE1 GLN A 218 22.559 34.637 75.398 1.00 53.79 O +ATOM 1760 NE2 GLN A 218 21.521 35.608 73.656 1.00 58.02 N +ATOM 1761 N ARG A 219 27.663 36.367 76.184 1.00 54.66 N +ATOM 1762 CA ARG A 219 28.548 36.190 77.339 1.00 50.12 C +ATOM 1763 C ARG A 219 27.706 36.449 78.570 1.00 46.37 C +ATOM 1764 O ARG A 219 27.089 37.506 78.692 1.00 45.61 O +ATOM 1765 CB ARG A 219 29.725 37.162 77.317 1.00 47.83 C +ATOM 1766 CG ARG A 219 30.732 36.898 78.419 1.00 47.86 C +ATOM 1767 CD ARG A 219 31.870 37.886 78.367 1.00 51.18 C +ATOM 1768 NE ARG A 219 31.398 39.263 78.529 1.00 57.76 N +ATOM 1769 CZ ARG A 219 32.129 40.347 78.271 1.00 56.33 C +ATOM 1770 NH1 ARG A 219 33.380 40.226 77.830 1.00 55.62 N +ATOM 1771 NH2 ARG A 219 31.612 41.554 78.467 1.00 46.81 N +ATOM 1772 N ASP A 220 27.613 35.441 79.430 1.00 49.55 N +ATOM 1773 CA ASP A 220 26.830 35.502 80.666 1.00 50.94 C +ATOM 1774 C ASP A 220 25.353 35.788 80.379 1.00 51.97 C +ATOM 1775 O ASP A 220 24.562 35.926 81.305 1.00 55.66 O +ATOM 1776 CB ASP A 220 27.391 36.555 81.649 1.00 49.22 C +ATOM 1777 CG ASP A 220 28.829 36.265 82.095 1.00 46.56 C +ATOM 1778 OD1 ASP A 220 29.161 35.105 82.438 1.00 43.84 O +ATOM 1779 OD2 ASP A 220 29.630 37.223 82.125 1.00 43.96 O +ATOM 1780 N GLY A 221 24.971 35.797 79.104 1.00 50.90 N +ATOM 1781 CA GLY A 221 23.591 36.076 78.749 1.00 55.51 C +ATOM 1782 C GLY A 221 23.417 37.436 78.093 1.00 59.14 C +ATOM 1783 O GLY A 221 22.285 37.880 77.869 1.00 62.31 O +ATOM 1784 N GLU A 222 24.535 38.098 77.792 1.00 56.51 N +ATOM 1785 CA GLU A 222 24.525 39.412 77.147 1.00 58.55 C +ATOM 1786 C GLU A 222 24.926 39.289 75.667 1.00 59.91 C +ATOM 1787 O GLU A 222 25.963 38.681 75.354 1.00 61.12 O +ATOM 1788 CB GLU A 222 25.466 40.362 77.875 1.00 56.05 C +ATOM 1789 N ASP A 223 24.101 39.842 74.765 1.00 57.05 N +ATOM 1790 CA ASP A 223 24.383 39.784 73.337 1.00 48.80 C +ATOM 1791 C ASP A 223 25.820 40.177 73.104 1.00 48.22 C +ATOM 1792 O ASP A 223 26.288 41.159 73.677 1.00 47.13 O +ATOM 1793 N GLN A 224 26.541 39.414 72.294 1.00 46.99 N +ATOM 1794 CA GLN A 224 27.950 39.731 72.059 1.00 50.94 C +ATOM 1795 C GLN A 224 28.211 40.345 70.690 1.00 51.23 C +ATOM 1796 O GLN A 224 29.353 40.466 70.246 1.00 44.73 O +ATOM 1797 CB GLN A 224 28.795 38.472 72.280 1.00 54.44 C +ATOM 1798 CG GLN A 224 30.156 38.713 72.925 1.00 47.32 C +ATOM 1799 CD GLN A 224 30.069 39.517 74.205 1.00 47.52 C +ATOM 1800 OE1 GLN A 224 31.025 40.185 74.592 1.00 48.72 O +ATOM 1801 NE2 GLN A 224 28.917 39.469 74.863 1.00 50.27 N +ATOM 1802 N THR A 225 27.143 40.832 70.082 1.00 58.31 N +ATOM 1803 CA THR A 225 27.159 41.454 68.769 1.00 67.87 C +ATOM 1804 C THR A 225 28.451 42.132 68.276 1.00 69.93 C +ATOM 1805 O THR A 225 29.103 41.643 67.338 1.00 72.69 O +ATOM 1806 CB THR A 225 25.969 42.457 68.625 1.00 72.47 C +ATOM 1807 OG1 THR A 225 25.833 43.226 69.829 1.00 78.97 O +ATOM 1808 CG2 THR A 225 24.670 41.720 68.368 1.00 77.65 C +ATOM 1809 N GLN A 226 28.859 43.218 68.922 1.00 67.56 N +ATOM 1810 CA GLN A 226 30.025 43.963 68.482 1.00 68.92 C +ATOM 1811 C GLN A 226 31.385 43.292 68.623 1.00 71.66 C +ATOM 1812 O GLN A 226 32.368 43.762 68.044 1.00 72.88 O +ATOM 1813 CB GLN A 226 30.038 45.336 69.131 1.00 70.75 C +ATOM 1814 N ASP A 227 31.453 42.190 69.362 1.00 74.89 N +ATOM 1815 CA ASP A 227 32.726 41.499 69.575 1.00 77.20 C +ATOM 1816 C ASP A 227 32.809 40.150 68.832 1.00 75.83 C +ATOM 1817 O ASP A 227 33.754 39.373 69.038 1.00 72.62 O +ATOM 1818 CB ASP A 227 32.953 41.294 71.084 1.00 84.28 C +ATOM 1819 CG ASP A 227 32.798 42.593 71.897 1.00 88.16 C +ATOM 1820 OD1 ASP A 227 31.644 43.044 72.109 1.00 88.47 O +ATOM 1821 OD2 ASP A 227 33.830 43.152 72.332 1.00 88.09 O +ATOM 1822 N THR A 228 31.871 39.935 67.907 1.00 73.32 N +ATOM 1823 CA THR A 228 31.762 38.697 67.135 1.00 67.42 C +ATOM 1824 C THR A 228 32.030 38.808 65.628 1.00 66.10 C +ATOM 1825 O THR A 228 31.436 39.654 64.952 1.00 68.99 O +ATOM 1826 CB THR A 228 30.342 38.117 67.297 1.00 64.15 C +ATOM 1827 OG1 THR A 228 30.019 38.023 68.690 1.00 62.68 O +ATOM 1828 CG2 THR A 228 30.240 36.737 66.660 1.00 62.99 C +ATOM 1829 N GLU A 229 32.893 37.932 65.101 1.00 61.60 N +ATOM 1830 CA GLU A 229 33.201 37.890 63.660 1.00 54.88 C +ATOM 1831 C GLU A 229 32.177 36.969 63.003 1.00 47.73 C +ATOM 1832 O GLU A 229 32.223 35.757 63.187 1.00 43.56 O +ATOM 1833 CB GLU A 229 34.617 37.342 63.404 1.00 56.57 C +ATOM 1834 CG GLU A 229 35.009 37.251 61.917 1.00 59.20 C +ATOM 1835 CD GLU A 229 36.411 36.678 61.679 1.00 63.55 C +ATOM 1836 OE1 GLU A 229 36.874 35.837 62.488 1.00 62.59 O +ATOM 1837 OE2 GLU A 229 37.046 37.056 60.665 1.00 60.50 O +ATOM 1838 N LEU A 230 31.244 37.543 62.256 1.00 44.18 N +ATOM 1839 CA LEU A 230 30.214 36.748 61.599 1.00 40.28 C +ATOM 1840 C LEU A 230 30.436 36.714 60.090 1.00 40.73 C +ATOM 1841 O LEU A 230 30.497 37.762 59.454 1.00 43.02 O +ATOM 1842 CB LEU A 230 28.847 37.337 61.909 1.00 35.30 C +ATOM 1843 CG LEU A 230 27.628 36.484 61.586 1.00 40.14 C +ATOM 1844 CD1 LEU A 230 27.663 35.202 62.405 1.00 46.14 C +ATOM 1845 CD2 LEU A 230 26.374 37.272 61.900 1.00 38.59 C +ATOM 1846 N VAL A 231 30.637 35.523 59.525 1.00 39.07 N +ATOM 1847 CA VAL A 231 30.837 35.411 58.083 1.00 32.86 C +ATOM 1848 C VAL A 231 29.496 35.264 57.365 1.00 38.51 C +ATOM 1849 O VAL A 231 28.574 34.604 57.853 1.00 38.32 O +ATOM 1850 CB VAL A 231 31.774 34.245 57.678 1.00 26.90 C +ATOM 1851 CG1 VAL A 231 33.148 34.451 58.257 1.00 24.64 C +ATOM 1852 CG2 VAL A 231 31.193 32.904 58.071 1.00 23.94 C +ATOM 1853 N GLU A 232 29.402 35.879 56.196 1.00 38.40 N +ATOM 1854 CA GLU A 232 28.190 35.852 55.399 1.00 37.69 C +ATOM 1855 C GLU A 232 27.846 34.391 55.071 1.00 34.43 C +ATOM 1856 O GLU A 232 28.755 33.593 54.827 1.00 30.46 O +ATOM 1857 CB GLU A 232 28.462 36.651 54.126 1.00 48.12 C +ATOM 1858 CG GLU A 232 27.243 37.224 53.407 1.00 63.18 C +ATOM 1859 CD GLU A 232 27.613 37.877 52.071 1.00 71.42 C +ATOM 1860 OE1 GLU A 232 28.799 38.256 51.898 1.00 66.37 O +ATOM 1861 OE2 GLU A 232 26.720 37.997 51.193 1.00 75.91 O +ATOM 1862 N THR A 233 26.556 34.037 55.094 1.00 32.01 N +ATOM 1863 CA THR A 233 26.138 32.672 54.785 1.00 25.73 C +ATOM 1864 C THR A 233 26.817 32.321 53.467 1.00 29.41 C +ATOM 1865 O THR A 233 26.841 33.136 52.554 1.00 36.36 O +ATOM 1866 CB THR A 233 24.601 32.562 54.637 1.00 24.87 C +ATOM 1867 OG1 THR A 233 23.952 32.914 55.869 1.00 23.23 O +ATOM 1868 CG2 THR A 233 24.198 31.152 54.257 1.00 25.81 C +ATOM 1869 N ARG A 234 27.413 31.137 53.381 1.00 32.33 N +ATOM 1870 CA ARG A 234 28.112 30.716 52.174 1.00 27.53 C +ATOM 1871 C ARG A 234 27.610 29.364 51.683 1.00 34.15 C +ATOM 1872 O ARG A 234 27.221 28.510 52.473 1.00 37.21 O +ATOM 1873 CB ARG A 234 29.603 30.636 52.453 1.00 21.06 C +ATOM 1874 CG ARG A 234 29.987 29.479 53.337 1.00 25.00 C +ATOM 1875 CD ARG A 234 30.971 29.887 54.419 1.00 23.15 C +ATOM 1876 NE ARG A 234 31.705 28.721 54.889 1.00 23.11 N +ATOM 1877 CZ ARG A 234 33.012 28.714 55.127 1.00 32.29 C +ATOM 1878 NH1 ARG A 234 33.720 29.824 54.962 1.00 32.84 N +ATOM 1879 NH2 ARG A 234 33.633 27.575 55.423 1.00 29.45 N +ATOM 1880 N PRO A 235 27.538 29.176 50.363 1.00 38.13 N +ATOM 1881 CA PRO A 235 27.069 27.919 49.775 1.00 38.59 C +ATOM 1882 C PRO A 235 28.110 26.799 49.861 1.00 36.09 C +ATOM 1883 O PRO A 235 29.303 27.031 49.632 1.00 30.98 O +ATOM 1884 CB PRO A 235 26.782 28.314 48.326 1.00 45.40 C +ATOM 1885 CG PRO A 235 27.800 29.414 48.072 1.00 44.22 C +ATOM 1886 CD PRO A 235 27.698 30.220 49.329 1.00 39.36 C +ATOM 1887 N ALA A 236 27.651 25.587 50.164 1.00 32.51 N +ATOM 1888 CA ALA A 236 28.538 24.427 50.279 1.00 34.24 C +ATOM 1889 C ALA A 236 28.908 23.895 48.913 1.00 37.98 C +ATOM 1890 O ALA A 236 29.996 23.343 48.721 1.00 36.33 O +ATOM 1891 CB ALA A 236 27.876 23.336 51.080 1.00 38.60 C +ATOM 1892 N GLY A 237 27.977 24.062 47.974 1.00 41.32 N +ATOM 1893 CA GLY A 237 28.173 23.611 46.609 1.00 37.54 C +ATOM 1894 C GLY A 237 27.305 22.419 46.257 1.00 41.30 C +ATOM 1895 O GLY A 237 27.184 22.043 45.092 1.00 42.62 O +ATOM 1896 N ASP A 238 26.647 21.847 47.254 1.00 42.39 N +ATOM 1897 CA ASP A 238 25.812 20.684 47.018 1.00 37.51 C +ATOM 1898 C ASP A 238 24.343 20.933 47.302 1.00 37.20 C +ATOM 1899 O ASP A 238 23.543 19.992 47.399 1.00 34.50 O +ATOM 1900 CB ASP A 238 26.341 19.482 47.807 1.00 43.82 C +ATOM 1901 CG ASP A 238 26.577 19.786 49.296 1.00 50.48 C +ATOM 1902 OD1 ASP A 238 26.337 20.928 49.759 1.00 47.20 O +ATOM 1903 OD2 ASP A 238 27.015 18.855 50.007 1.00 51.07 O +ATOM 1904 N GLY A 239 23.989 22.208 47.427 1.00 32.98 N +ATOM 1905 CA GLY A 239 22.604 22.556 47.675 1.00 34.29 C +ATOM 1906 C GLY A 239 22.287 22.959 49.094 1.00 36.54 C +ATOM 1907 O GLY A 239 21.112 23.138 49.427 1.00 38.35 O +ATOM 1908 N THR A 240 23.330 23.099 49.917 1.00 36.34 N +ATOM 1909 CA THR A 240 23.198 23.487 51.317 1.00 32.13 C +ATOM 1910 C THR A 240 24.140 24.635 51.598 1.00 34.67 C +ATOM 1911 O THR A 240 25.044 24.925 50.789 1.00 27.35 O +ATOM 1912 CB THR A 240 23.562 22.347 52.258 1.00 33.30 C +ATOM 1913 OG1 THR A 240 24.825 21.794 51.867 1.00 36.57 O +ATOM 1914 CG2 THR A 240 22.493 21.269 52.233 1.00 38.21 C +ATOM 1915 N PHE A 241 23.971 25.244 52.774 1.00 36.23 N +ATOM 1916 CA PHE A 241 24.783 26.395 53.173 1.00 35.79 C +ATOM 1917 C PHE A 241 25.648 26.175 54.406 1.00 27.88 C +ATOM 1918 O PHE A 241 25.519 25.164 55.090 1.00 28.47 O +ATOM 1919 CB PHE A 241 23.882 27.621 53.349 1.00 36.77 C +ATOM 1920 CG PHE A 241 22.976 27.866 52.172 1.00 43.09 C +ATOM 1921 CD1 PHE A 241 21.894 27.021 51.917 1.00 45.43 C +ATOM 1922 CD2 PHE A 241 23.229 28.905 51.292 1.00 50.87 C +ATOM 1923 CE1 PHE A 241 21.081 27.198 50.797 1.00 46.99 C +ATOM 1924 CE2 PHE A 241 22.422 29.096 50.165 1.00 53.76 C +ATOM 1925 CZ PHE A 241 21.344 28.236 49.920 1.00 51.55 C +ATOM 1926 N GLN A 242 26.546 27.122 54.655 1.00 24.57 N +ATOM 1927 CA GLN A 242 27.469 27.087 55.784 1.00 26.03 C +ATOM 1928 C GLN A 242 27.495 28.450 56.428 1.00 27.90 C +ATOM 1929 O GLN A 242 27.019 29.415 55.841 1.00 34.44 O +ATOM 1930 CB GLN A 242 28.885 26.777 55.311 1.00 17.14 C +ATOM 1931 CG GLN A 242 29.019 25.432 54.679 1.00 15.88 C +ATOM 1932 CD GLN A 242 30.442 25.095 54.351 1.00 15.85 C +ATOM 1933 OE1 GLN A 242 31.357 25.900 54.557 1.00 17.27 O +ATOM 1934 NE2 GLN A 242 30.646 23.898 53.832 1.00 20.09 N +ATOM 1935 N LYS A 243 28.061 28.533 57.628 1.00 34.64 N +ATOM 1936 CA LYS A 243 28.174 29.804 58.347 1.00 31.33 C +ATOM 1937 C LYS A 243 28.869 29.620 59.694 1.00 29.06 C +ATOM 1938 O LYS A 243 28.865 28.526 60.265 1.00 25.74 O +ATOM 1939 CB LYS A 243 26.789 30.396 58.579 1.00 26.71 C +ATOM 1940 CG LYS A 243 26.776 31.898 58.784 1.00 23.11 C +ATOM 1941 CD LYS A 243 25.407 32.319 59.348 1.00 22.74 C +ATOM 1942 CE LYS A 243 25.001 33.682 58.855 1.00 28.49 C +ATOM 1943 NZ LYS A 243 26.189 34.558 58.729 1.00 27.85 N +ATOM 1944 N TRP A 244 29.491 30.685 60.181 1.00 30.60 N +ATOM 1945 CA TRP A 244 30.149 30.630 61.471 1.00 32.52 C +ATOM 1946 C TRP A 244 30.381 31.980 62.128 1.00 35.65 C +ATOM 1947 O TRP A 244 30.515 32.995 61.436 1.00 38.47 O +ATOM 1948 CB TRP A 244 31.442 29.810 61.419 1.00 25.59 C +ATOM 1949 CG TRP A 244 32.557 30.313 60.551 1.00 24.00 C +ATOM 1950 CD1 TRP A 244 33.041 29.703 59.435 1.00 17.55 C +ATOM 1951 CD2 TRP A 244 33.457 31.402 60.829 1.00 22.42 C +ATOM 1952 NE1 TRP A 244 34.194 30.316 59.020 1.00 18.94 N +ATOM 1953 CE2 TRP A 244 34.474 31.363 59.857 1.00 22.17 C +ATOM 1954 CE3 TRP A 244 33.509 32.399 61.816 1.00 20.98 C +ATOM 1955 CZ2 TRP A 244 35.535 32.275 59.839 1.00 19.61 C +ATOM 1956 CZ3 TRP A 244 34.565 33.306 61.799 1.00 8.16 C +ATOM 1957 CH2 TRP A 244 35.560 33.234 60.820 1.00 18.43 C +ATOM 1958 N ALA A 245 30.325 31.980 63.465 1.00 35.38 N +ATOM 1959 CA ALA A 245 30.540 33.158 64.314 1.00 29.82 C +ATOM 1960 C ALA A 245 31.716 32.836 65.215 1.00 24.83 C +ATOM 1961 O ALA A 245 31.832 31.721 65.686 1.00 26.62 O +ATOM 1962 CB ALA A 245 29.305 33.430 65.155 1.00 29.54 C +ATOM 1963 N ALA A 246 32.594 33.795 65.452 1.00 23.71 N +ATOM 1964 CA ALA A 246 33.753 33.544 66.287 1.00 25.92 C +ATOM 1965 C ALA A 246 34.049 34.704 67.212 1.00 33.62 C +ATOM 1966 O ALA A 246 34.006 35.862 66.794 1.00 37.82 O +ATOM 1967 CB ALA A 246 34.963 33.249 65.437 1.00 14.57 C +ATOM 1968 N VAL A 247 34.351 34.381 68.469 1.00 36.96 N +ATOM 1969 CA VAL A 247 34.681 35.382 69.483 1.00 32.62 C +ATOM 1970 C VAL A 247 36.027 35.087 70.103 1.00 34.71 C +ATOM 1971 O VAL A 247 36.463 33.930 70.143 1.00 29.94 O +ATOM 1972 CB VAL A 247 33.670 35.410 70.638 1.00 26.87 C +ATOM 1973 CG1 VAL A 247 32.415 36.140 70.228 1.00 28.97 C +ATOM 1974 CG2 VAL A 247 33.344 34.005 71.071 1.00 29.54 C +ATOM 1975 N VAL A 248 36.708 36.150 70.522 1.00 40.31 N +ATOM 1976 CA VAL A 248 37.989 36.018 71.203 1.00 46.88 C +ATOM 1977 C VAL A 248 37.641 36.002 72.697 1.00 49.75 C +ATOM 1978 O VAL A 248 36.917 36.877 73.199 1.00 52.07 O +ATOM 1979 CB VAL A 248 38.951 37.177 70.895 1.00 46.65 C +ATOM 1980 CG1 VAL A 248 40.306 36.899 71.518 1.00 45.40 C +ATOM 1981 CG2 VAL A 248 39.099 37.348 69.402 1.00 48.83 C +ATOM 1982 N VAL A 249 38.093 34.956 73.377 1.00 47.83 N +ATOM 1983 CA VAL A 249 37.815 34.768 74.785 1.00 49.74 C +ATOM 1984 C VAL A 249 39.100 34.757 75.598 1.00 51.39 C +ATOM 1985 O VAL A 249 40.113 34.209 75.146 1.00 51.26 O +ATOM 1986 CB VAL A 249 37.103 33.391 75.007 1.00 50.06 C +ATOM 1987 CG1 VAL A 249 36.745 33.183 76.464 1.00 47.54 C +ATOM 1988 CG2 VAL A 249 35.876 33.281 74.136 1.00 48.70 C +ATOM 1989 N PRO A 250 39.128 35.488 76.729 1.00 55.58 N +ATOM 1990 CA PRO A 250 40.316 35.520 77.594 1.00 51.52 C +ATOM 1991 C PRO A 250 40.288 34.179 78.331 1.00 49.29 C +ATOM 1992 O PRO A 250 39.214 33.727 78.744 1.00 48.81 O +ATOM 1993 CB PRO A 250 40.023 36.670 78.552 1.00 47.13 C +ATOM 1994 CG PRO A 250 39.176 37.593 77.721 1.00 52.59 C +ATOM 1995 CD PRO A 250 38.227 36.616 77.056 1.00 56.99 C +ATOM 1996 N SER A 251 41.434 33.524 78.457 1.00 52.01 N +ATOM 1997 CA SER A 251 41.490 32.220 79.119 1.00 56.45 C +ATOM 1998 C SER A 251 40.669 32.141 80.409 1.00 54.19 C +ATOM 1999 O SER A 251 40.573 33.110 81.164 1.00 58.35 O +ATOM 2000 CB SER A 251 42.946 31.802 79.367 1.00 61.99 C +ATOM 2001 OG SER A 251 43.798 32.929 79.477 1.00 72.21 O +ATOM 2002 N GLY A 252 40.013 31.005 80.613 1.00 50.71 N +ATOM 2003 CA GLY A 252 39.204 30.824 81.804 1.00 39.88 C +ATOM 2004 C GLY A 252 37.751 31.168 81.572 1.00 36.18 C +ATOM 2005 O GLY A 252 36.849 30.554 82.147 1.00 35.12 O +ATOM 2006 N GLN A 253 37.508 32.092 80.655 1.00 37.57 N +ATOM 2007 CA GLN A 253 36.149 32.527 80.370 1.00 38.77 C +ATOM 2008 C GLN A 253 35.300 31.636 79.473 1.00 37.39 C +ATOM 2009 O GLN A 253 34.105 31.873 79.343 1.00 40.76 O +ATOM 2010 CB GLN A 253 36.171 33.957 79.824 1.00 37.17 C +ATOM 2011 CG GLN A 253 36.689 34.979 80.833 1.00 39.09 C +ATOM 2012 CD GLN A 253 36.624 36.418 80.335 1.00 43.58 C +ATOM 2013 OE1 GLN A 253 37.476 37.234 80.676 1.00 50.41 O +ATOM 2014 NE2 GLN A 253 35.592 36.744 79.561 1.00 45.00 N +ATOM 2015 N GLU A 254 35.875 30.569 78.937 1.00 34.09 N +ATOM 2016 CA GLU A 254 35.151 29.682 78.024 1.00 38.99 C +ATOM 2017 C GLU A 254 33.726 29.297 78.390 1.00 42.44 C +ATOM 2018 O GLU A 254 32.828 29.370 77.547 1.00 45.84 O +ATOM 2019 CB GLU A 254 35.956 28.417 77.732 1.00 35.64 C +ATOM 2020 CG GLU A 254 37.123 28.608 76.774 1.00 38.05 C +ATOM 2021 CD GLU A 254 38.327 29.313 77.390 1.00 45.57 C +ATOM 2022 OE1 GLU A 254 38.420 29.399 78.630 1.00 45.59 O +ATOM 2023 OE2 GLU A 254 39.202 29.776 76.625 1.00 49.04 O +ATOM 2024 N GLN A 255 33.500 28.948 79.652 1.00 47.57 N +ATOM 2025 CA GLN A 255 32.173 28.538 80.124 1.00 51.21 C +ATOM 2026 C GLN A 255 31.101 29.631 80.147 1.00 49.64 C +ATOM 2027 O GLN A 255 29.917 29.341 80.362 1.00 49.71 O +ATOM 2028 CB GLN A 255 32.290 27.923 81.524 1.00 57.58 C +ATOM 2029 CG GLN A 255 33.167 26.678 81.580 1.00 60.16 C +ATOM 2030 CD GLN A 255 32.633 25.563 80.702 1.00 61.28 C +ATOM 2031 OE1 GLN A 255 33.201 25.256 79.649 1.00 60.26 O +ATOM 2032 NE2 GLN A 255 31.521 24.956 81.125 1.00 58.60 N +ATOM 2033 N ARG A 256 31.520 30.881 79.961 1.00 47.70 N +ATOM 2034 CA ARG A 256 30.633 32.040 79.981 1.00 44.08 C +ATOM 2035 C ARG A 256 29.885 32.285 78.674 1.00 43.87 C +ATOM 2036 O ARG A 256 28.756 32.790 78.681 1.00 44.09 O +ATOM 2037 CB ARG A 256 31.427 33.276 80.354 1.00 37.07 C +ATOM 2038 N TYR A 257 30.524 31.943 77.559 1.00 45.97 N +ATOM 2039 CA TYR A 257 29.959 32.142 76.228 1.00 42.74 C +ATOM 2040 C TYR A 257 29.026 31.059 75.760 1.00 42.63 C +ATOM 2041 O TYR A 257 29.264 29.880 76.022 1.00 46.43 O +ATOM 2042 CB TYR A 257 31.070 32.268 75.205 1.00 34.86 C +ATOM 2043 CG TYR A 257 31.885 33.505 75.385 1.00 33.82 C +ATOM 2044 CD1 TYR A 257 32.994 33.510 76.220 1.00 34.09 C +ATOM 2045 CD2 TYR A 257 31.545 34.682 74.721 1.00 33.85 C +ATOM 2046 CE1 TYR A 257 33.750 34.658 76.397 1.00 42.25 C +ATOM 2047 CE2 TYR A 257 32.296 35.837 74.880 1.00 40.86 C +ATOM 2048 CZ TYR A 257 33.402 35.819 75.723 1.00 45.31 C +ATOM 2049 OH TYR A 257 34.164 36.954 75.880 1.00 50.71 O +ATOM 2050 N THR A 258 27.973 31.464 75.056 1.00 40.82 N +ATOM 2051 CA THR A 258 27.019 30.521 74.493 1.00 42.19 C +ATOM 2052 C THR A 258 26.656 30.917 73.059 1.00 42.85 C +ATOM 2053 O THR A 258 26.427 32.100 72.777 1.00 42.07 O +ATOM 2054 CB THR A 258 25.730 30.401 75.347 1.00 36.52 C +ATOM 2055 OG1 THR A 258 25.270 31.701 75.746 1.00 37.98 O +ATOM 2056 CG2 THR A 258 25.977 29.531 76.558 1.00 35.24 C +ATOM 2057 N CYS A 259 26.655 29.941 72.151 1.00 41.67 N +ATOM 2058 CA CYS A 259 26.301 30.186 70.751 1.00 38.54 C +ATOM 2059 C CYS A 259 24.832 29.855 70.584 1.00 36.37 C +ATOM 2060 O CYS A 259 24.344 28.877 71.143 1.00 34.93 O +ATOM 2061 CB CYS A 259 27.136 29.324 69.809 1.00 39.29 C +ATOM 2062 SG CYS A 259 26.662 29.456 68.050 1.00 46.88 S +ATOM 2063 N HIS A 260 24.123 30.671 69.819 1.00 38.13 N +ATOM 2064 CA HIS A 260 22.699 30.464 69.629 1.00 40.41 C +ATOM 2065 C HIS A 260 22.377 30.404 68.158 1.00 41.81 C +ATOM 2066 O HIS A 260 22.538 31.398 67.449 1.00 39.29 O +ATOM 2067 CB HIS A 260 21.933 31.581 70.321 1.00 45.98 C +ATOM 2068 CG HIS A 260 22.296 31.727 71.765 1.00 53.09 C +ATOM 2069 ND1 HIS A 260 21.543 31.170 72.778 1.00 56.64 N +ATOM 2070 CD2 HIS A 260 23.373 32.288 72.360 1.00 50.52 C +ATOM 2071 CE1 HIS A 260 22.147 31.378 73.934 1.00 58.86 C +ATOM 2072 NE2 HIS A 260 23.261 32.053 73.710 1.00 52.97 N +ATOM 2073 N VAL A 261 21.923 29.223 67.726 1.00 41.41 N +ATOM 2074 CA VAL A 261 21.588 28.920 66.338 1.00 39.79 C +ATOM 2075 C VAL A 261 20.080 28.857 66.149 1.00 42.15 C +ATOM 2076 O VAL A 261 19.386 28.116 66.857 1.00 41.00 O +ATOM 2077 CB VAL A 261 22.189 27.552 65.919 1.00 37.98 C +ATOM 2078 CG1 VAL A 261 21.932 27.274 64.462 1.00 37.35 C +ATOM 2079 CG2 VAL A 261 23.674 27.508 66.208 1.00 41.29 C +ATOM 2080 N GLN A 262 19.578 29.638 65.195 1.00 43.95 N +ATOM 2081 CA GLN A 262 18.147 29.679 64.887 1.00 45.05 C +ATOM 2082 C GLN A 262 17.963 29.295 63.402 1.00 40.75 C +ATOM 2083 O GLN A 262 18.638 29.825 62.513 1.00 36.13 O +ATOM 2084 CB GLN A 262 17.582 31.081 65.195 1.00 51.05 C +ATOM 2085 CG GLN A 262 16.161 31.112 65.800 1.00 59.03 C +ATOM 2086 CD GLN A 262 15.760 32.499 66.344 1.00 66.29 C +ATOM 2087 OE1 GLN A 262 16.401 33.519 66.057 1.00 65.42 O +ATOM 2088 NE2 GLN A 262 14.703 32.528 67.149 1.00 68.38 N +ATOM 2089 N HIS A 263 17.065 28.356 63.139 1.00 36.08 N +ATOM 2090 CA HIS A 263 16.846 27.903 61.781 1.00 34.37 C +ATOM 2091 C HIS A 263 15.533 27.141 61.698 1.00 40.24 C +ATOM 2092 O HIS A 263 15.186 26.444 62.629 1.00 42.97 O +ATOM 2093 CB HIS A 263 18.003 26.993 61.382 1.00 33.84 C +ATOM 2094 CG HIS A 263 17.949 26.530 59.961 1.00 35.29 C +ATOM 2095 ND1 HIS A 263 18.573 27.203 58.933 1.00 30.10 N +ATOM 2096 CD2 HIS A 263 17.346 25.458 59.395 1.00 31.96 C +ATOM 2097 CE1 HIS A 263 18.358 26.570 57.798 1.00 34.14 C +ATOM 2098 NE2 HIS A 263 17.615 25.506 58.052 1.00 37.79 N +ATOM 2099 N GLU A 264 14.837 27.234 60.561 1.00 49.65 N +ATOM 2100 CA GLU A 264 13.539 26.564 60.342 1.00 48.66 C +ATOM 2101 C GLU A 264 13.535 25.064 60.649 1.00 49.12 C +ATOM 2102 O GLU A 264 12.512 24.504 61.043 1.00 50.79 O +ATOM 2103 CB GLU A 264 13.049 26.805 58.899 1.00 44.76 C +ATOM 2104 N GLY A 265 14.671 24.416 60.418 1.00 49.32 N +ATOM 2105 CA GLY A 265 14.796 22.993 60.674 1.00 50.92 C +ATOM 2106 C GLY A 265 14.866 22.658 62.151 1.00 51.54 C +ATOM 2107 O GLY A 265 14.631 21.519 62.550 1.00 53.51 O +ATOM 2108 N LEU A 266 15.229 23.642 62.963 1.00 49.46 N +ATOM 2109 CA LEU A 266 15.326 23.453 64.406 1.00 48.17 C +ATOM 2110 C LEU A 266 13.964 23.710 65.071 1.00 52.64 C +ATOM 2111 O LEU A 266 13.405 24.814 64.975 1.00 48.59 O +ATOM 2112 CB LEU A 266 16.395 24.383 64.995 1.00 35.99 C +ATOM 2113 CG LEU A 266 17.780 24.241 64.366 1.00 30.22 C +ATOM 2114 CD1 LEU A 266 18.726 25.291 64.902 1.00 25.49 C +ATOM 2115 CD2 LEU A 266 18.317 22.852 64.591 1.00 24.40 C +ATOM 2116 N PRO A 267 13.409 22.681 65.750 1.00 56.02 N +ATOM 2117 CA PRO A 267 12.109 22.830 66.422 1.00 56.07 C +ATOM 2118 C PRO A 267 12.268 23.916 67.488 1.00 57.70 C +ATOM 2119 O PRO A 267 11.486 24.871 67.559 1.00 57.69 O +ATOM 2120 CB PRO A 267 11.904 21.456 67.070 1.00 54.24 C +ATOM 2121 CG PRO A 267 12.749 20.525 66.222 1.00 54.23 C +ATOM 2122 CD PRO A 267 13.981 21.346 65.999 1.00 53.61 C +ATOM 2123 N LYS A 268 13.319 23.762 68.290 1.00 56.97 N +ATOM 2124 CA LYS A 268 13.647 24.705 69.354 1.00 55.78 C +ATOM 2125 C LYS A 268 15.054 25.219 69.064 1.00 52.33 C +ATOM 2126 O LYS A 268 15.909 24.470 68.577 1.00 50.71 O +ATOM 2127 CB LYS A 268 13.603 24.004 70.722 1.00 50.45 C +ATOM 2128 N PRO A 269 15.280 26.527 69.263 1.00 49.43 N +ATOM 2129 CA PRO A 269 16.599 27.120 69.021 1.00 53.68 C +ATOM 2130 C PRO A 269 17.693 26.440 69.857 1.00 57.87 C +ATOM 2131 O PRO A 269 17.493 26.117 71.032 1.00 63.58 O +ATOM 2132 CB PRO A 269 16.380 28.576 69.426 1.00 53.73 C +ATOM 2133 CG PRO A 269 14.958 28.813 69.026 1.00 51.47 C +ATOM 2134 CD PRO A 269 14.277 27.567 69.541 1.00 48.43 C +ATOM 2135 N LEU A 270 18.838 26.188 69.238 1.00 57.52 N +ATOM 2136 CA LEU A 270 19.924 25.530 69.933 1.00 55.18 C +ATOM 2137 C LEU A 270 20.785 26.555 70.624 1.00 56.33 C +ATOM 2138 O LEU A 270 20.774 27.739 70.266 1.00 59.13 O +ATOM 2139 CB LEU A 270 20.806 24.748 68.956 1.00 54.46 C +ATOM 2140 CG LEU A 270 20.170 23.718 68.029 1.00 55.02 C +ATOM 2141 CD1 LEU A 270 21.268 23.056 67.217 1.00 59.93 C +ATOM 2142 CD2 LEU A 270 19.386 22.687 68.819 1.00 56.98 C +ATOM 2143 N THR A 271 21.536 26.073 71.608 1.00 53.93 N +ATOM 2144 CA THR A 271 22.471 26.872 72.377 1.00 46.98 C +ATOM 2145 C THR A 271 23.647 25.913 72.578 1.00 41.64 C +ATOM 2146 O THR A 271 23.476 24.809 73.099 1.00 41.80 O +ATOM 2147 CB THR A 271 21.869 27.291 73.749 1.00 51.60 C +ATOM 2148 OG1 THR A 271 20.701 28.117 73.558 1.00 50.69 O +ATOM 2149 CG2 THR A 271 22.895 28.055 74.557 1.00 52.29 C +ATOM 2150 N LEU A 272 24.820 26.292 72.086 1.00 40.54 N +ATOM 2151 CA LEU A 272 26.003 25.443 72.211 1.00 37.65 C +ATOM 2152 C LEU A 272 26.943 26.045 73.232 1.00 37.94 C +ATOM 2153 O LEU A 272 27.214 27.252 73.196 1.00 36.12 O +ATOM 2154 CB LEU A 272 26.743 25.345 70.877 1.00 34.04 C +ATOM 2155 CG LEU A 272 25.987 24.968 69.605 1.00 43.46 C +ATOM 2156 CD1 LEU A 272 26.988 24.796 68.469 1.00 38.19 C +ATOM 2157 CD2 LEU A 272 25.206 23.682 69.819 1.00 48.62 C +ATOM 2158 N ARG A 273 27.434 25.208 74.139 1.00 36.44 N +ATOM 2159 CA ARG A 273 28.375 25.649 75.172 1.00 39.57 C +ATOM 2160 C ARG A 273 29.710 24.904 74.938 1.00 39.64 C +ATOM 2161 O ARG A 273 29.699 23.815 74.383 1.00 36.90 O +ATOM 2162 CB ARG A 273 27.797 25.337 76.576 1.00 32.47 C +ATOM 2163 N TRP A 274 30.844 25.510 75.290 1.00 42.18 N +ATOM 2164 CA TRP A 274 32.135 24.845 75.106 1.00 46.30 C +ATOM 2165 C TRP A 274 32.427 23.913 76.294 1.00 50.65 C +ATOM 2166 O TRP A 274 33.295 24.174 77.119 1.00 43.13 O +ATOM 2167 CB TRP A 274 33.246 25.878 74.943 1.00 40.82 C +ATOM 2168 CG TRP A 274 34.633 25.307 74.816 1.00 36.41 C +ATOM 2169 CD1 TRP A 274 35.689 25.553 75.642 1.00 34.59 C +ATOM 2170 CD2 TRP A 274 35.119 24.416 73.793 1.00 30.60 C +ATOM 2171 NE1 TRP A 274 36.801 24.878 75.203 1.00 38.32 N +ATOM 2172 CE2 TRP A 274 36.483 24.171 74.069 1.00 32.94 C +ATOM 2173 CE3 TRP A 274 34.542 23.808 72.676 1.00 27.74 C +ATOM 2174 CZ2 TRP A 274 37.282 23.341 73.266 1.00 30.71 C +ATOM 2175 CZ3 TRP A 274 35.333 22.984 71.875 1.00 32.88 C +ATOM 2176 CH2 TRP A 274 36.691 22.759 72.176 1.00 31.20 C +ATOM 2177 N GLU A 275 31.695 22.810 76.339 1.00 61.33 N +ATOM 2178 CA GLU A 275 31.808 21.857 77.421 1.00 73.68 C +ATOM 2179 C GLU A 275 32.413 20.539 76.950 1.00 77.08 C +ATOM 2180 O GLU A 275 33.611 20.513 76.643 1.00 78.51 O +ATOM 2181 CB GLU A 275 30.423 21.634 78.038 1.00 78.31 C +ATOM 2182 CG GLU A 275 29.767 22.915 78.568 1.00 91.41 C +ATOM 2183 CD GLU A 275 28.379 22.689 79.191 1.00 98.22 C +ATOM 2184 OE1 GLU A 275 27.443 22.313 78.453 1.00100.00 O +ATOM 2185 OE2 GLU A 275 28.214 22.908 80.412 1.00100.00 O +ATOM 2186 OXT GLU A 275 31.743 19.490 76.947 1.00 81.19 O +TER 2187 GLU A 275 +ATOM 2188 N ILE B 1 28.359 52.163 42.324 1.00 88.79 N +ATOM 2189 CA ILE B 1 29.504 52.506 43.222 1.00 86.93 C +ATOM 2190 C ILE B 1 30.315 51.230 43.422 1.00 79.61 C +ATOM 2191 O ILE B 1 29.746 50.161 43.661 1.00 79.44 O +ATOM 2192 CB ILE B 1 29.014 53.053 44.603 1.00 91.69 C +ATOM 2193 CG1 ILE B 1 28.014 54.202 44.396 1.00 96.23 C +ATOM 2194 CG2 ILE B 1 30.204 53.537 45.446 1.00 88.66 C +ATOM 2195 CD1 ILE B 1 28.565 55.387 43.585 1.00 99.05 C +ATOM 2196 N GLN B 2 31.628 51.340 43.248 1.00 68.60 N +ATOM 2197 CA GLN B 2 32.521 50.201 43.387 1.00 57.16 C +ATOM 2198 C GLN B 2 32.591 49.644 44.805 1.00 52.72 C +ATOM 2199 O GLN B 2 33.028 50.327 45.726 1.00 55.46 O +ATOM 2200 CB GLN B 2 33.933 50.571 42.917 1.00 55.51 C +ATOM 2201 CG GLN B 2 34.062 50.871 41.429 1.00 52.58 C +ATOM 2202 CD GLN B 2 35.508 50.996 40.968 1.00 49.51 C +ATOM 2203 OE1 GLN B 2 36.441 50.895 41.759 1.00 53.52 O +ATOM 2204 NE2 GLN B 2 35.695 51.203 39.674 1.00 53.60 N +ATOM 2205 N ARG B 3 32.132 48.413 44.980 1.00 47.40 N +ATOM 2206 CA ARG B 3 32.185 47.748 46.273 1.00 45.51 C +ATOM 2207 C ARG B 3 33.148 46.587 46.054 1.00 45.96 C +ATOM 2208 O ARG B 3 33.058 45.877 45.049 1.00 45.74 O +ATOM 2209 CB ARG B 3 30.811 47.224 46.694 1.00 47.29 C +ATOM 2210 CG ARG B 3 29.696 48.267 46.719 1.00 48.91 C +ATOM 2211 CD ARG B 3 28.326 47.614 46.949 1.00 47.40 C +ATOM 2212 NE ARG B 3 27.255 48.345 46.274 1.00 51.23 N +ATOM 2213 CZ ARG B 3 26.200 47.771 45.705 1.00 54.69 C +ATOM 2214 NH1 ARG B 3 26.060 46.452 45.724 1.00 52.66 N +ATOM 2215 NH2 ARG B 3 25.291 48.516 45.094 1.00 60.15 N +ATOM 2216 N THR B 4 34.080 46.418 46.986 1.00 48.32 N +ATOM 2217 CA THR B 4 35.110 45.380 46.913 1.00 44.22 C +ATOM 2218 C THR B 4 34.629 43.997 47.368 1.00 38.77 C +ATOM 2219 O THR B 4 33.750 43.882 48.227 1.00 36.63 O +ATOM 2220 CB THR B 4 36.371 45.835 47.708 1.00 50.30 C +ATOM 2221 OG1 THR B 4 37.536 45.164 47.209 1.00 48.52 O +ATOM 2222 CG2 THR B 4 36.200 45.590 49.211 1.00 51.54 C +ATOM 2223 N PRO B 5 35.216 42.931 46.798 1.00 35.53 N +ATOM 2224 CA PRO B 5 34.875 41.539 47.105 1.00 37.33 C +ATOM 2225 C PRO B 5 35.056 41.099 48.562 1.00 44.27 C +ATOM 2226 O PRO B 5 35.989 41.534 49.245 1.00 50.42 O +ATOM 2227 CB PRO B 5 35.845 40.742 46.218 1.00 27.35 C +ATOM 2228 CG PRO B 5 36.258 41.664 45.179 1.00 22.60 C +ATOM 2229 CD PRO B 5 36.341 42.986 45.849 1.00 31.38 C +ATOM 2230 N LYS B 6 34.176 40.212 49.017 1.00 43.47 N +ATOM 2231 CA LYS B 6 34.278 39.633 50.350 1.00 46.10 C +ATOM 2232 C LYS B 6 34.605 38.169 50.035 1.00 45.92 C +ATOM 2233 O LYS B 6 33.727 37.392 49.637 1.00 45.10 O +ATOM 2234 CB LYS B 6 32.964 39.782 51.126 1.00 45.94 C +ATOM 2235 CG LYS B 6 32.708 41.211 51.600 1.00 43.20 C +ATOM 2236 CD LYS B 6 31.334 41.361 52.229 1.00 45.35 C +ATOM 2237 CE LYS B 6 30.239 41.161 51.200 1.00 43.26 C +ATOM 2238 NZ LYS B 6 28.886 41.065 51.801 1.00 38.46 N +ATOM 2239 N ILE B 7 35.900 37.858 50.120 1.00 42.01 N +ATOM 2240 CA ILE B 7 36.469 36.542 49.814 1.00 36.44 C +ATOM 2241 C ILE B 7 36.488 35.509 50.954 1.00 39.16 C +ATOM 2242 O ILE B 7 36.882 35.807 52.088 1.00 42.42 O +ATOM 2243 CB ILE B 7 37.924 36.724 49.307 1.00 33.09 C +ATOM 2244 CG1 ILE B 7 37.992 37.905 48.342 1.00 26.15 C +ATOM 2245 CG2 ILE B 7 38.446 35.458 48.625 1.00 28.95 C +ATOM 2246 CD1 ILE B 7 39.330 38.586 48.348 1.00 18.31 C +ATOM 2247 N GLN B 8 36.128 34.275 50.613 1.00 33.63 N +ATOM 2248 CA GLN B 8 36.118 33.177 51.559 1.00 31.78 C +ATOM 2249 C GLN B 8 36.528 31.901 50.853 1.00 34.61 C +ATOM 2250 O GLN B 8 35.821 31.458 49.950 1.00 35.25 O +ATOM 2251 CB GLN B 8 34.725 32.928 52.114 1.00 30.32 C +ATOM 2252 CG GLN B 8 34.153 33.963 53.049 1.00 29.61 C +ATOM 2253 CD GLN B 8 32.932 33.408 53.766 1.00 29.33 C +ATOM 2254 OE1 GLN B 8 32.996 32.337 54.361 1.00 36.74 O +ATOM 2255 NE2 GLN B 8 31.809 34.102 53.673 1.00 31.57 N +ATOM 2256 N VAL B 9 37.641 31.307 51.294 1.00 35.38 N +ATOM 2257 CA VAL B 9 38.171 30.039 50.765 1.00 31.71 C +ATOM 2258 C VAL B 9 37.845 28.978 51.814 1.00 29.53 C +ATOM 2259 O VAL B 9 38.111 29.172 52.992 1.00 35.84 O +ATOM 2260 CB VAL B 9 39.714 30.068 50.621 1.00 29.47 C +ATOM 2261 CG1 VAL B 9 40.197 28.860 49.837 1.00 22.08 C +ATOM 2262 CG2 VAL B 9 40.163 31.359 49.981 1.00 29.24 C +ATOM 2263 N TYR B 10 37.267 27.868 51.391 1.00 29.43 N +ATOM 2264 CA TYR B 10 36.897 26.791 52.300 1.00 30.08 C +ATOM 2265 C TYR B 10 36.650 25.520 51.504 1.00 35.03 C +ATOM 2266 O TYR B 10 36.648 25.549 50.285 1.00 39.52 O +ATOM 2267 CB TYR B 10 35.626 27.155 53.071 1.00 27.44 C +ATOM 2268 CG TYR B 10 34.464 27.584 52.205 1.00 25.41 C +ATOM 2269 CD1 TYR B 10 34.384 28.892 51.718 1.00 32.43 C +ATOM 2270 CD2 TYR B 10 33.434 26.698 51.887 1.00 23.49 C +ATOM 2271 CE1 TYR B 10 33.307 29.315 50.936 1.00 31.78 C +ATOM 2272 CE2 TYR B 10 32.343 27.108 51.103 1.00 27.41 C +ATOM 2273 CZ TYR B 10 32.290 28.422 50.631 1.00 32.32 C +ATOM 2274 OH TYR B 10 31.230 28.845 49.856 1.00 35.84 O +ATOM 2275 N SER B 11 36.424 24.406 52.178 1.00 33.51 N +ATOM 2276 CA SER B 11 36.168 23.167 51.480 1.00 35.29 C +ATOM 2277 C SER B 11 34.714 22.827 51.765 1.00 39.42 C +ATOM 2278 O SER B 11 34.151 23.314 52.748 1.00 41.66 O +ATOM 2279 CB SER B 11 37.125 22.083 51.967 1.00 41.18 C +ATOM 2280 OG SER B 11 37.250 22.100 53.381 1.00 46.30 O +ATOM 2281 N ARG B 12 34.089 22.038 50.895 1.00 40.02 N +ATOM 2282 CA ARG B 12 32.677 21.685 51.072 1.00 43.55 C +ATOM 2283 C ARG B 12 32.389 20.831 52.318 1.00 44.86 C +ATOM 2284 O ARG B 12 31.440 21.078 53.078 1.00 41.53 O +ATOM 2285 CB ARG B 12 32.148 20.972 49.827 1.00 41.27 C +ATOM 2286 CG ARG B 12 30.665 20.658 49.906 1.00 46.06 C +ATOM 2287 CD ARG B 12 30.214 19.792 48.758 1.00 44.49 C +ATOM 2288 NE ARG B 12 30.428 20.438 47.472 1.00 41.93 N +ATOM 2289 CZ ARG B 12 30.324 19.821 46.299 1.00 40.76 C +ATOM 2290 NH1 ARG B 12 30.012 18.533 46.237 1.00 31.38 N +ATOM 2291 NH2 ARG B 12 30.534 20.500 45.181 1.00 40.62 N +ATOM 2292 N HIS B 13 33.180 19.778 52.469 1.00 47.41 N +ATOM 2293 CA HIS B 13 33.055 18.853 53.578 1.00 45.94 C +ATOM 2294 C HIS B 13 34.254 19.074 54.506 1.00 52.70 C +ATOM 2295 O HIS B 13 35.231 19.732 54.114 1.00 51.01 O +ATOM 2296 CB HIS B 13 33.063 17.425 53.032 1.00 36.57 C +ATOM 2297 CG HIS B 13 32.045 17.178 51.962 1.00 32.63 C +ATOM 2298 ND1 HIS B 13 30.689 17.325 52.171 1.00 38.96 N +ATOM 2299 CD2 HIS B 13 32.183 16.759 50.683 1.00 35.51 C +ATOM 2300 CE1 HIS B 13 30.036 17.002 51.070 1.00 35.09 C +ATOM 2301 NE2 HIS B 13 30.918 16.655 50.151 1.00 38.48 N +ATOM 2302 N PRO B 14 34.175 18.594 55.767 1.00 55.92 N +ATOM 2303 CA PRO B 14 35.315 18.788 56.669 1.00 55.18 C +ATOM 2304 C PRO B 14 36.587 18.175 56.072 1.00 56.57 C +ATOM 2305 O PRO B 14 36.598 17.013 55.649 1.00 54.73 O +ATOM 2306 CB PRO B 14 34.858 18.071 57.936 1.00 54.41 C +ATOM 2307 CG PRO B 14 33.382 18.352 57.937 1.00 50.80 C +ATOM 2308 CD PRO B 14 33.020 18.045 56.505 1.00 56.18 C +ATOM 2309 N ALA B 15 37.634 18.992 55.991 1.00 59.29 N +ATOM 2310 CA ALA B 15 38.916 18.588 55.428 1.00 62.31 C +ATOM 2311 C ALA B 15 39.523 17.342 56.076 1.00 65.83 C +ATOM 2312 O ALA B 15 40.105 17.410 57.163 1.00 66.80 O +ATOM 2313 CB ALA B 15 39.899 19.758 55.489 1.00 54.51 C +ATOM 2314 N GLU B 16 39.361 16.203 55.412 1.00 66.12 N +ATOM 2315 CA GLU B 16 39.911 14.953 55.904 1.00 69.34 C +ATOM 2316 C GLU B 16 41.012 14.506 54.954 1.00 65.44 C +ATOM 2317 O GLU B 16 40.719 14.065 53.847 1.00 67.29 O +ATOM 2318 CB GLU B 16 38.818 13.886 55.997 1.00 77.80 C +ATOM 2319 CG GLU B 16 37.817 14.114 57.139 1.00 90.03 C +ATOM 2320 CD GLU B 16 36.854 12.941 57.350 1.00 97.13 C +ATOM 2321 OE1 GLU B 16 37.254 11.774 57.120 1.00 99.97 O +ATOM 2322 OE2 GLU B 16 35.696 13.185 57.760 1.00 99.24 O +ATOM 2323 N ASN B 17 42.268 14.638 55.388 1.00 61.50 N +ATOM 2324 CA ASN B 17 43.445 14.264 54.590 1.00 56.95 C +ATOM 2325 C ASN B 17 43.304 12.956 53.842 1.00 59.89 C +ATOM 2326 O ASN B 17 42.844 11.968 54.405 1.00 64.97 O +ATOM 2327 CB ASN B 17 44.684 14.177 55.470 1.00 48.13 C +ATOM 2328 CG ASN B 17 45.064 15.499 56.041 1.00 46.58 C +ATOM 2329 OD1 ASN B 17 44.332 16.467 55.901 1.00 46.33 O +ATOM 2330 ND2 ASN B 17 46.212 15.560 56.694 1.00 47.33 N +ATOM 2331 N GLY B 18 43.718 12.949 52.579 1.00 59.88 N +ATOM 2332 CA GLY B 18 43.627 11.747 51.773 1.00 60.08 C +ATOM 2333 C GLY B 18 42.234 11.475 51.235 1.00 61.89 C +ATOM 2334 O GLY B 18 42.068 10.598 50.385 1.00 63.12 O +ATOM 2335 N LYS B 19 41.244 12.246 51.686 1.00 63.16 N +ATOM 2336 CA LYS B 19 39.856 12.075 51.247 1.00 67.37 C +ATOM 2337 C LYS B 19 39.355 13.188 50.308 1.00 69.30 C +ATOM 2338 O LYS B 19 39.545 14.384 50.568 1.00 66.94 O +ATOM 2339 CB LYS B 19 38.924 11.927 52.462 1.00 65.83 C +ATOM 2340 N SER B 20 38.722 12.763 49.213 1.00 72.77 N +ATOM 2341 CA SER B 20 38.169 13.648 48.184 1.00 73.87 C +ATOM 2342 C SER B 20 37.151 14.646 48.728 1.00 70.84 C +ATOM 2343 O SER B 20 36.191 14.279 49.409 1.00 70.59 O +ATOM 2344 CB SER B 20 37.514 12.815 47.082 1.00 76.53 C +ATOM 2345 OG SER B 20 38.360 11.745 46.693 1.00 86.99 O +ATOM 2346 N ASN B 21 37.329 15.903 48.351 1.00 65.49 N +ATOM 2347 CA ASN B 21 36.459 16.977 48.800 1.00 59.00 C +ATOM 2348 C ASN B 21 36.529 18.031 47.687 1.00 60.13 C +ATOM 2349 O ASN B 21 37.054 17.753 46.598 1.00 62.77 O +ATOM 2350 CB ASN B 21 37.028 17.518 50.120 1.00 54.69 C +ATOM 2351 CG ASN B 21 36.071 18.436 50.864 1.00 46.85 C +ATOM 2352 OD1 ASN B 21 34.943 18.682 50.442 1.00 44.91 O +ATOM 2353 ND2 ASN B 21 36.524 18.941 51.990 1.00 45.60 N +ATOM 2354 N PHE B 22 35.972 19.214 47.930 1.00 56.56 N +ATOM 2355 CA PHE B 22 35.997 20.289 46.951 1.00 49.28 C +ATOM 2356 C PHE B 22 36.501 21.563 47.575 1.00 46.80 C +ATOM 2357 O PHE B 22 36.196 21.866 48.735 1.00 45.11 O +ATOM 2358 CB PHE B 22 34.611 20.537 46.384 1.00 52.40 C +ATOM 2359 CG PHE B 22 34.164 19.494 45.415 1.00 58.83 C +ATOM 2360 CD1 PHE B 22 33.640 18.281 45.862 1.00 58.46 C +ATOM 2361 CD2 PHE B 22 34.251 19.727 44.048 1.00 61.12 C +ATOM 2362 CE1 PHE B 22 33.210 17.312 44.961 1.00 56.47 C +ATOM 2363 CE2 PHE B 22 33.822 18.765 43.135 1.00 61.55 C +ATOM 2364 CZ PHE B 22 33.298 17.553 43.593 1.00 59.31 C +ATOM 2365 N LEU B 23 37.346 22.262 46.830 1.00 45.03 N +ATOM 2366 CA LEU B 23 37.896 23.528 47.279 1.00 42.35 C +ATOM 2367 C LEU B 23 36.998 24.626 46.738 1.00 40.88 C +ATOM 2368 O LEU B 23 36.817 24.760 45.531 1.00 47.81 O +ATOM 2369 CB LEU B 23 39.323 23.712 46.779 1.00 37.10 C +ATOM 2370 CG LEU B 23 40.010 24.945 47.352 1.00 36.36 C +ATOM 2371 CD1 LEU B 23 39.951 24.941 48.875 1.00 28.89 C +ATOM 2372 CD2 LEU B 23 41.438 24.951 46.871 1.00 39.94 C +ATOM 2373 N ASN B 24 36.414 25.387 47.648 1.00 39.58 N +ATOM 2374 CA ASN B 24 35.504 26.465 47.303 1.00 34.99 C +ATOM 2375 C ASN B 24 36.101 27.854 47.549 1.00 32.98 C +ATOM 2376 O ASN B 24 36.902 28.048 48.461 1.00 32.50 O +ATOM 2377 CB ASN B 24 34.186 26.323 48.100 1.00 29.86 C +ATOM 2378 CG ASN B 24 33.349 25.117 47.673 1.00 27.79 C +ATOM 2379 OD1 ASN B 24 33.667 24.435 46.709 1.00 40.64 O +ATOM 2380 ND2 ASN B 24 32.264 24.867 48.385 1.00 29.57 N +ATOM 2381 N CYS B 25 35.809 28.783 46.650 1.00 31.32 N +ATOM 2382 CA CYS B 25 36.224 30.163 46.824 1.00 26.38 C +ATOM 2383 C CYS B 25 34.909 30.876 46.549 1.00 28.23 C +ATOM 2384 O CYS B 25 34.172 30.498 45.651 1.00 33.37 O +ATOM 2385 CB CYS B 25 37.325 30.591 45.870 1.00 22.65 C +ATOM 2386 SG CYS B 25 37.950 32.261 46.290 1.00 27.42 S +ATOM 2387 N TYR B 26 34.543 31.801 47.415 1.00 26.85 N +ATOM 2388 CA TYR B 26 33.283 32.502 47.286 1.00 22.67 C +ATOM 2389 C TYR B 26 33.654 33.938 47.469 1.00 27.36 C +ATOM 2390 O TYR B 26 34.409 34.264 48.379 1.00 34.28 O +ATOM 2391 CB TYR B 26 32.347 32.043 48.416 1.00 28.46 C +ATOM 2392 CG TYR B 26 30.936 32.602 48.402 1.00 25.30 C +ATOM 2393 CD1 TYR B 26 30.021 32.236 47.407 1.00 18.89 C +ATOM 2394 CD2 TYR B 26 30.512 33.494 49.392 1.00 24.13 C +ATOM 2395 CE1 TYR B 26 28.719 32.747 47.396 1.00 19.03 C +ATOM 2396 CE2 TYR B 26 29.212 34.009 49.390 1.00 21.25 C +ATOM 2397 CZ TYR B 26 28.325 33.632 48.389 1.00 25.52 C +ATOM 2398 OH TYR B 26 27.053 34.151 48.380 1.00 30.02 O +ATOM 2399 N VAL B 27 33.241 34.770 46.529 1.00 28.46 N +ATOM 2400 CA VAL B 27 33.506 36.200 46.589 1.00 24.41 C +ATOM 2401 C VAL B 27 32.125 36.822 46.499 1.00 20.22 C +ATOM 2402 O VAL B 27 31.274 36.322 45.779 1.00 19.48 O +ATOM 2403 CB VAL B 27 34.401 36.653 45.418 1.00 26.87 C +ATOM 2404 CG1 VAL B 27 35.797 36.097 45.574 1.00 24.99 C +ATOM 2405 CG2 VAL B 27 33.837 36.163 44.103 1.00 39.70 C +ATOM 2406 N SER B 28 31.863 37.869 47.263 1.00 22.39 N +ATOM 2407 CA SER B 28 30.539 38.453 47.220 1.00 21.84 C +ATOM 2408 C SER B 28 30.543 39.915 47.580 1.00 21.57 C +ATOM 2409 O SER B 28 31.590 40.482 47.876 1.00 23.72 O +ATOM 2410 CB SER B 28 29.605 37.701 48.166 1.00 29.46 C +ATOM 2411 OG SER B 28 29.985 37.912 49.511 1.00 40.78 O +ATOM 2412 N GLY B 29 29.360 40.519 47.524 1.00 18.00 N +ATOM 2413 CA GLY B 29 29.211 41.921 47.843 1.00 21.22 C +ATOM 2414 C GLY B 29 30.045 42.871 47.006 1.00 26.36 C +ATOM 2415 O GLY B 29 30.348 43.971 47.472 1.00 32.16 O +ATOM 2416 N PHE B 30 30.411 42.473 45.781 1.00 32.90 N +ATOM 2417 CA PHE B 30 31.200 43.336 44.886 1.00 26.74 C +ATOM 2418 C PHE B 30 30.413 43.996 43.756 1.00 28.08 C +ATOM 2419 O PHE B 30 29.242 43.678 43.494 1.00 20.38 O +ATOM 2420 CB PHE B 30 32.425 42.622 44.309 1.00 22.86 C +ATOM 2421 CG PHE B 30 32.129 41.308 43.632 1.00 28.09 C +ATOM 2422 CD1 PHE B 30 31.774 40.189 44.369 1.00 30.98 C +ATOM 2423 CD2 PHE B 30 32.260 41.175 42.259 1.00 34.85 C +ATOM 2424 CE1 PHE B 30 31.560 38.952 43.749 1.00 32.07 C +ATOM 2425 CE2 PHE B 30 32.049 39.941 41.634 1.00 35.09 C +ATOM 2426 CZ PHE B 30 31.698 38.831 42.385 1.00 30.57 C +ATOM 2427 N HIS B 31 31.032 45.014 43.175 1.00 30.56 N +ATOM 2428 CA HIS B 31 30.446 45.735 42.060 1.00 34.97 C +ATOM 2429 C HIS B 31 31.508 46.676 41.498 1.00 39.34 C +ATOM 2430 O HIS B 31 32.164 47.397 42.259 1.00 38.48 O +ATOM 2431 CB HIS B 31 29.205 46.517 42.491 1.00 34.39 C +ATOM 2432 CG HIS B 31 28.246 46.778 41.370 1.00 38.46 C +ATOM 2433 ND1 HIS B 31 28.541 47.618 40.315 1.00 33.37 N +ATOM 2434 CD2 HIS B 31 27.015 46.273 41.115 1.00 36.07 C +ATOM 2435 CE1 HIS B 31 27.536 47.615 39.459 1.00 36.15 C +ATOM 2436 NE2 HIS B 31 26.596 46.806 39.919 1.00 36.80 N +ATOM 2437 N PRO B 32 31.732 46.646 40.168 1.00 41.68 N +ATOM 2438 CA PRO B 32 31.100 45.846 39.111 1.00 37.21 C +ATOM 2439 C PRO B 32 31.447 44.360 39.145 1.00 37.00 C +ATOM 2440 O PRO B 32 32.304 43.945 39.922 1.00 34.18 O +ATOM 2441 CB PRO B 32 31.645 46.489 37.850 1.00 42.97 C +ATOM 2442 CG PRO B 32 33.031 46.864 38.272 1.00 39.36 C +ATOM 2443 CD PRO B 32 32.767 47.527 39.584 1.00 39.41 C +ATOM 2444 N SER B 33 30.826 43.601 38.235 1.00 43.99 N +ATOM 2445 CA SER B 33 30.987 42.136 38.098 1.00 48.99 C +ATOM 2446 C SER B 33 32.299 41.557 37.550 1.00 49.65 C +ATOM 2447 O SER B 33 32.574 40.372 37.755 1.00 47.72 O +ATOM 2448 CB SER B 33 29.826 41.552 37.287 1.00 46.69 C +ATOM 2449 OG SER B 33 29.666 42.263 36.071 1.00 50.66 O +ATOM 2450 N ASP B 34 33.051 42.330 36.771 1.00 52.40 N +ATOM 2451 CA ASP B 34 34.326 41.829 36.251 1.00 54.84 C +ATOM 2452 C ASP B 34 35.254 41.483 37.421 1.00 51.51 C +ATOM 2453 O ASP B 34 35.700 42.367 38.169 1.00 49.48 O +ATOM 2454 CB ASP B 34 34.997 42.862 35.342 1.00 60.55 C +ATOM 2455 CG ASP B 34 34.537 42.760 33.903 1.00 71.54 C +ATOM 2456 OD1 ASP B 34 33.361 43.076 33.613 1.00 76.04 O +ATOM 2457 OD2 ASP B 34 35.365 42.359 33.057 1.00 77.12 O +ATOM 2458 N ILE B 35 35.526 40.193 37.584 1.00 45.68 N +ATOM 2459 CA ILE B 35 36.383 39.739 38.666 1.00 38.10 C +ATOM 2460 C ILE B 35 37.172 38.497 38.254 1.00 35.05 C +ATOM 2461 O ILE B 35 36.648 37.602 37.588 1.00 28.28 O +ATOM 2462 CB ILE B 35 35.537 39.474 39.949 1.00 36.61 C +ATOM 2463 CG1 ILE B 35 36.445 39.307 41.174 1.00 32.75 C +ATOM 2464 CG2 ILE B 35 34.592 38.290 39.734 1.00 28.97 C +ATOM 2465 CD1 ILE B 35 35.697 39.139 42.478 1.00 28.53 C +ATOM 2466 N GLU B 36 38.457 38.484 38.593 1.00 34.65 N +ATOM 2467 CA GLU B 36 39.305 37.353 38.269 1.00 38.83 C +ATOM 2468 C GLU B 36 39.577 36.590 39.564 1.00 38.17 C +ATOM 2469 O GLU B 36 39.998 37.183 40.558 1.00 36.50 O +ATOM 2470 CB GLU B 36 40.614 37.814 37.627 1.00 40.94 C +ATOM 2471 CG GLU B 36 41.266 36.718 36.793 1.00 57.22 C +ATOM 2472 CD GLU B 36 42.643 37.091 36.251 1.00 65.54 C +ATOM 2473 OE1 GLU B 36 43.048 38.267 36.402 1.00 68.11 O +ATOM 2474 OE2 GLU B 36 43.322 36.195 35.682 1.00 64.72 O +ATOM 2475 N VAL B 37 39.309 35.285 39.542 1.00 38.95 N +ATOM 2476 CA VAL B 37 39.480 34.404 40.699 1.00 39.88 C +ATOM 2477 C VAL B 37 40.167 33.065 40.365 1.00 42.13 C +ATOM 2478 O VAL B 37 39.609 32.226 39.645 1.00 42.55 O +ATOM 2479 CB VAL B 37 38.108 34.057 41.335 1.00 36.19 C +ATOM 2480 CG1 VAL B 37 38.303 33.201 42.570 1.00 38.65 C +ATOM 2481 CG2 VAL B 37 37.338 35.309 41.670 1.00 34.41 C +ATOM 2482 N ASP B 38 41.339 32.840 40.948 1.00 43.05 N +ATOM 2483 CA ASP B 38 42.085 31.608 40.731 1.00 45.13 C +ATOM 2484 C ASP B 38 42.252 30.842 42.046 1.00 43.97 C +ATOM 2485 O ASP B 38 42.478 31.431 43.101 1.00 41.31 O +ATOM 2486 CB ASP B 38 43.496 31.902 40.188 1.00 50.55 C +ATOM 2487 CG ASP B 38 43.490 32.723 38.915 1.00 54.96 C +ATOM 2488 OD1 ASP B 38 42.693 32.413 38.001 1.00 62.46 O +ATOM 2489 OD2 ASP B 38 44.312 33.665 38.823 1.00 53.86 O +ATOM 2490 N LEU B 39 42.113 29.529 41.976 1.00 41.09 N +ATOM 2491 CA LEU B 39 42.326 28.687 43.135 1.00 42.59 C +ATOM 2492 C LEU B 39 43.772 28.212 42.946 1.00 45.15 C +ATOM 2493 O LEU B 39 44.142 27.793 41.851 1.00 49.95 O +ATOM 2494 CB LEU B 39 41.358 27.500 43.136 1.00 38.11 C +ATOM 2495 CG LEU B 39 39.912 27.730 43.569 1.00 31.62 C +ATOM 2496 CD1 LEU B 39 39.236 26.384 43.651 1.00 28.49 C +ATOM 2497 CD2 LEU B 39 39.852 28.420 44.920 1.00 31.65 C +ATOM 2498 N LEU B 40 44.595 28.283 43.986 1.00 46.05 N +ATOM 2499 CA LEU B 40 45.992 27.885 43.856 1.00 47.87 C +ATOM 2500 C LEU B 40 46.401 26.719 44.720 1.00 49.65 C +ATOM 2501 O LEU B 40 45.896 26.550 45.829 1.00 51.53 O +ATOM 2502 CB LEU B 40 46.914 29.046 44.216 1.00 48.45 C +ATOM 2503 CG LEU B 40 46.676 30.419 43.599 1.00 48.92 C +ATOM 2504 CD1 LEU B 40 47.598 31.436 44.272 1.00 45.00 C +ATOM 2505 CD2 LEU B 40 46.895 30.351 42.099 1.00 46.91 C +ATOM 2506 N LYS B 41 47.398 25.985 44.233 1.00 50.18 N +ATOM 2507 CA LYS B 41 47.978 24.844 44.928 1.00 52.31 C +ATOM 2508 C LYS B 41 49.488 25.057 45.004 1.00 55.01 C +ATOM 2509 O LYS B 41 50.209 24.866 44.020 1.00 56.82 O +ATOM 2510 CB LYS B 41 47.674 23.531 44.200 1.00 51.86 C +ATOM 2511 CG LYS B 41 48.334 22.322 44.841 1.00 48.66 C +ATOM 2512 CD LYS B 41 47.879 21.022 44.210 1.00 55.43 C +ATOM 2513 CE LYS B 41 48.608 19.845 44.850 1.00 61.73 C +ATOM 2514 NZ LYS B 41 48.132 18.498 44.402 1.00 64.49 N +ATOM 2515 N ASN B 42 49.950 25.489 46.174 1.00 57.00 N +ATOM 2516 CA ASN B 42 51.370 25.740 46.439 1.00 56.97 C +ATOM 2517 C ASN B 42 51.905 26.925 45.626 1.00 57.16 C +ATOM 2518 O ASN B 42 53.112 27.061 45.420 1.00 58.32 O +ATOM 2519 CB ASN B 42 52.210 24.474 46.172 1.00 55.44 C +ATOM 2520 CG ASN B 42 51.832 23.299 47.083 1.00 54.16 C +ATOM 2521 OD1 ASN B 42 51.716 23.446 48.303 1.00 50.49 O +ATOM 2522 ND2 ASN B 42 51.653 22.124 46.488 1.00 53.93 N +ATOM 2523 N GLY B 43 51.003 27.814 45.221 1.00 56.72 N +ATOM 2524 CA GLY B 43 51.388 28.967 44.423 1.00 58.55 C +ATOM 2525 C GLY B 43 51.022 28.765 42.955 1.00 59.97 C +ATOM 2526 O GLY B 43 50.774 29.731 42.223 1.00 53.50 O +ATOM 2527 N GLU B 44 50.980 27.500 42.533 1.00 60.61 N +ATOM 2528 CA GLU B 44 50.628 27.163 41.165 1.00 62.67 C +ATOM 2529 C GLU B 44 49.123 27.239 40.951 1.00 65.51 C +ATOM 2530 O GLU B 44 48.340 26.726 41.753 1.00 65.32 O +ATOM 2531 N ARG B 45 48.719 27.893 39.868 1.00 64.92 N +ATOM 2532 CA ARG B 45 47.312 28.053 39.536 1.00 59.79 C +ATOM 2533 C ARG B 45 46.732 26.690 39.192 1.00 55.14 C +ATOM 2534 O ARG B 45 47.370 25.907 38.490 1.00 49.79 O +ATOM 2535 CB ARG B 45 47.164 29.003 38.341 1.00 64.95 C +ATOM 2536 CG ARG B 45 45.862 29.795 38.312 1.00 70.42 C +ATOM 2537 CD ARG B 45 45.622 30.473 36.966 1.00 71.88 C +ATOM 2538 NE ARG B 45 45.250 29.514 35.922 1.00 75.30 N +ATOM 2539 CZ ARG B 45 44.000 29.123 35.652 1.00 75.60 C +ATOM 2540 NH1 ARG B 45 42.970 29.603 36.349 1.00 67.97 N +ATOM 2541 NH2 ARG B 45 43.779 28.270 34.651 1.00 73.30 N +ATOM 2542 N ILE B 46 45.561 26.383 39.744 1.00 52.97 N +ATOM 2543 CA ILE B 46 44.901 25.112 39.472 1.00 52.93 C +ATOM 2544 C ILE B 46 44.209 25.251 38.130 1.00 55.67 C +ATOM 2545 O ILE B 46 43.453 26.194 37.919 1.00 57.73 O +ATOM 2546 CB ILE B 46 43.849 24.751 40.536 1.00 48.04 C +ATOM 2547 CG1 ILE B 46 44.480 24.755 41.930 1.00 48.55 C +ATOM 2548 CG2 ILE B 46 43.274 23.372 40.242 1.00 42.09 C +ATOM 2549 CD1 ILE B 46 43.480 24.519 43.051 1.00 54.07 C +ATOM 2550 N GLU B 47 44.446 24.282 37.251 1.00 59.58 N +ATOM 2551 CA GLU B 47 43.887 24.300 35.912 1.00 59.23 C +ATOM 2552 C GLU B 47 42.385 24.343 35.729 1.00 62.62 C +ATOM 2553 O GLU B 47 41.819 25.386 35.393 1.00 66.24 O +ATOM 2554 N LYS B 48 41.730 23.211 35.947 1.00 63.00 N +ATOM 2555 CA LYS B 48 40.287 23.120 35.741 1.00 65.25 C +ATOM 2556 C LYS B 48 39.361 23.580 36.876 1.00 60.84 C +ATOM 2557 O LYS B 48 38.708 22.763 37.535 1.00 56.64 O +ATOM 2558 CB LYS B 48 39.934 21.702 35.300 1.00 74.45 C +ATOM 2559 CG LYS B 48 40.665 21.259 34.039 1.00 83.07 C +ATOM 2560 CD LYS B 48 40.183 19.882 33.598 1.00 94.92 C +ATOM 2561 CE LYS B 48 40.868 19.416 32.308 1.00100.00 C +ATOM 2562 NZ LYS B 48 40.310 18.126 31.766 1.00 99.97 N +ATOM 2563 N VAL B 49 39.227 24.894 37.022 1.00 55.18 N +ATOM 2564 CA VAL B 49 38.385 25.468 38.065 1.00 53.29 C +ATOM 2565 C VAL B 49 37.027 25.891 37.520 1.00 51.91 C +ATOM 2566 O VAL B 49 36.946 26.698 36.593 1.00 54.76 O +ATOM 2567 CB VAL B 49 39.054 26.694 38.703 1.00 53.90 C +ATOM 2568 CG1 VAL B 49 38.234 27.175 39.888 1.00 56.31 C +ATOM 2569 CG2 VAL B 49 40.476 26.361 39.124 1.00 55.02 C +ATOM 2570 N GLU B 50 35.957 25.376 38.110 1.00 48.23 N +ATOM 2571 CA GLU B 50 34.628 25.731 37.646 1.00 46.14 C +ATOM 2572 C GLU B 50 34.086 26.888 38.462 1.00 40.98 C +ATOM 2573 O GLU B 50 34.786 27.403 39.329 1.00 38.87 O +ATOM 2574 CB GLU B 50 33.705 24.513 37.668 1.00 51.88 C +ATOM 2575 CG GLU B 50 34.288 23.330 36.871 1.00 63.64 C +ATOM 2576 CD GLU B 50 33.262 22.291 36.423 1.00 68.69 C +ATOM 2577 OE1 GLU B 50 32.219 22.120 37.096 1.00 71.08 O +ATOM 2578 OE2 GLU B 50 33.513 21.634 35.384 1.00 73.53 O +ATOM 2579 N HIS B 51 32.894 27.368 38.117 1.00 36.64 N +ATOM 2580 CA HIS B 51 32.291 28.479 38.843 1.00 36.51 C +ATOM 2581 C HIS B 51 30.794 28.590 38.627 1.00 32.23 C +ATOM 2582 O HIS B 51 30.256 28.018 37.687 1.00 35.09 O +ATOM 2583 CB HIS B 51 32.991 29.808 38.530 1.00 41.46 C +ATOM 2584 CG HIS B 51 32.830 30.280 37.114 1.00 54.37 C +ATOM 2585 ND1 HIS B 51 31.722 30.979 36.683 1.00 59.18 N +ATOM 2586 CD2 HIS B 51 33.672 30.225 36.055 1.00 54.77 C +ATOM 2587 CE1 HIS B 51 31.890 31.342 35.425 1.00 56.49 C +ATOM 2588 NE2 HIS B 51 33.066 30.897 35.021 1.00 57.34 N +ATOM 2589 N SER B 52 30.125 29.303 39.525 1.00 32.02 N +ATOM 2590 CA SER B 52 28.680 29.478 39.461 1.00 32.93 C +ATOM 2591 C SER B 52 28.286 30.524 38.426 1.00 35.74 C +ATOM 2592 O SER B 52 29.150 31.206 37.869 1.00 41.08 O +ATOM 2593 CB SER B 52 28.117 29.852 40.843 1.00 31.52 C +ATOM 2594 OG SER B 52 28.695 31.044 41.357 1.00 37.27 O +ATOM 2595 N ASP B 53 26.987 30.637 38.154 1.00 33.39 N +ATOM 2596 CA ASP B 53 26.491 31.602 37.183 1.00 27.27 C +ATOM 2597 C ASP B 53 26.237 32.897 37.923 1.00 22.47 C +ATOM 2598 O ASP B 53 25.535 32.905 38.932 1.00 25.36 O +ATOM 2599 CB ASP B 53 25.207 31.088 36.519 1.00 31.43 C +ATOM 2600 CG ASP B 53 25.423 29.793 35.730 1.00 33.02 C +ATOM 2601 OD1 ASP B 53 26.557 29.544 35.244 1.00 34.92 O +ATOM 2602 OD2 ASP B 53 24.450 29.024 35.601 1.00 30.41 O +ATOM 2603 N LEU B 54 26.840 33.974 37.435 1.00 20.33 N +ATOM 2604 CA LEU B 54 26.712 35.282 38.057 1.00 18.60 C +ATOM 2605 C LEU B 54 25.303 35.636 38.461 1.00 22.25 C +ATOM 2606 O LEU B 54 24.363 35.454 37.692 1.00 27.18 O +ATOM 2607 CB LEU B 54 27.240 36.381 37.142 1.00 19.89 C +ATOM 2608 CG LEU B 54 27.194 37.774 37.774 1.00 23.08 C +ATOM 2609 CD1 LEU B 54 28.361 37.944 38.750 1.00 23.42 C +ATOM 2610 CD2 LEU B 54 27.267 38.828 36.687 1.00 24.24 C +ATOM 2611 N SER B 55 25.163 36.094 39.701 1.00 24.46 N +ATOM 2612 CA SER B 55 23.884 36.521 40.231 1.00 18.92 C +ATOM 2613 C SER B 55 24.140 37.637 41.220 1.00 20.78 C +ATOM 2614 O SER B 55 25.276 38.084 41.375 1.00 19.71 O +ATOM 2615 CB SER B 55 23.138 35.384 40.898 1.00 18.69 C +ATOM 2616 OG SER B 55 21.800 35.785 41.156 1.00 23.66 O +ATOM 2617 N PHE B 56 23.094 38.089 41.898 1.00 20.50 N +ATOM 2618 CA PHE B 56 23.256 39.184 42.831 1.00 21.17 C +ATOM 2619 C PHE B 56 22.257 39.172 43.971 1.00 31.19 C +ATOM 2620 O PHE B 56 21.208 38.520 43.889 1.00 31.08 O +ATOM 2621 CB PHE B 56 23.196 40.520 42.085 1.00 21.87 C +ATOM 2622 CG PHE B 56 22.018 40.651 41.159 1.00 19.90 C +ATOM 2623 CD1 PHE B 56 20.810 41.142 41.620 1.00 18.08 C +ATOM 2624 CD2 PHE B 56 22.127 40.297 39.814 1.00 21.32 C +ATOM 2625 CE1 PHE B 56 19.731 41.276 40.758 1.00 25.83 C +ATOM 2626 CE2 PHE B 56 21.062 40.428 38.952 1.00 9.89 C +ATOM 2627 CZ PHE B 56 19.862 40.920 39.419 1.00 21.06 C +ATOM 2628 N SER B 57 22.616 39.886 45.039 1.00 34.56 N +ATOM 2629 CA SER B 57 21.806 40.001 46.250 1.00 38.61 C +ATOM 2630 C SER B 57 20.880 41.228 46.210 1.00 38.73 C +ATOM 2631 O SER B 57 21.013 42.092 45.342 1.00 41.04 O +ATOM 2632 CB SER B 57 22.733 40.108 47.463 1.00 41.06 C +ATOM 2633 OG SER B 57 23.882 39.283 47.310 1.00 46.25 O +ATOM 2634 N LYS B 58 20.005 41.335 47.208 1.00 35.94 N +ATOM 2635 CA LYS B 58 19.053 42.438 47.300 1.00 30.93 C +ATOM 2636 C LYS B 58 19.599 43.843 47.114 1.00 27.43 C +ATOM 2637 O LYS B 58 18.871 44.732 46.695 1.00 29.35 O +ATOM 2638 N ASP B 59 20.872 44.051 47.425 1.00 24.27 N +ATOM 2639 CA ASP B 59 21.488 45.366 47.275 1.00 26.55 C +ATOM 2640 C ASP B 59 22.250 45.530 45.943 1.00 29.77 C +ATOM 2641 O ASP B 59 23.073 46.443 45.784 1.00 26.70 O +ATOM 2642 CB ASP B 59 22.403 45.658 48.468 1.00 22.61 C +ATOM 2643 CG ASP B 59 23.498 44.627 48.638 1.00 28.75 C +ATOM 2644 OD1 ASP B 59 23.345 43.500 48.121 1.00 30.09 O +ATOM 2645 OD2 ASP B 59 24.518 44.946 49.294 1.00 34.85 O +ATOM 2646 N TRP B 60 21.984 44.610 45.015 1.00 27.50 N +ATOM 2647 CA TRP B 60 22.573 44.578 43.666 1.00 25.88 C +ATOM 2648 C TRP B 60 24.023 44.143 43.575 1.00 22.79 C +ATOM 2649 O TRP B 60 24.595 44.154 42.488 1.00 23.65 O +ATOM 2650 CB TRP B 60 22.383 45.904 42.894 1.00 21.04 C +ATOM 2651 CG TRP B 60 20.967 46.436 42.852 1.00 19.54 C +ATOM 2652 CD1 TRP B 60 20.498 47.534 43.510 1.00 24.22 C +ATOM 2653 CD2 TRP B 60 19.842 45.887 42.138 1.00 15.90 C +ATOM 2654 NE1 TRP B 60 19.159 47.699 43.263 1.00 23.55 N +ATOM 2655 CE2 TRP B 60 18.731 46.706 42.420 1.00 21.14 C +ATOM 2656 CE3 TRP B 60 19.667 44.784 41.299 1.00 20.84 C +ATOM 2657 CZ2 TRP B 60 17.456 46.455 41.889 1.00 24.60 C +ATOM 2658 CZ3 TRP B 60 18.401 44.532 40.776 1.00 11.81 C +ATOM 2659 CH2 TRP B 60 17.316 45.365 41.075 1.00 22.74 C +ATOM 2660 N SER B 61 24.627 43.751 44.689 1.00 25.32 N +ATOM 2661 CA SER B 61 26.020 43.308 44.637 1.00 24.11 C +ATOM 2662 C SER B 61 26.041 41.897 44.081 1.00 16.46 C +ATOM 2663 O SER B 61 25.047 41.195 44.173 1.00 13.23 O +ATOM 2664 CB SER B 61 26.689 43.384 46.010 1.00 30.27 C +ATOM 2665 OG SER B 61 25.731 43.490 47.049 1.00 31.79 O +ATOM 2666 N PHE B 62 27.181 41.497 43.529 1.00 17.43 N +ATOM 2667 CA PHE B 62 27.352 40.198 42.890 1.00 19.28 C +ATOM 2668 C PHE B 62 28.001 39.159 43.758 1.00 18.18 C +ATOM 2669 O PHE B 62 28.716 39.492 44.687 1.00 21.26 O +ATOM 2670 CB PHE B 62 28.223 40.361 41.621 1.00 21.33 C +ATOM 2671 CG PHE B 62 27.629 41.281 40.602 1.00 22.70 C +ATOM 2672 CD1 PHE B 62 26.489 40.900 39.887 1.00 23.03 C +ATOM 2673 CD2 PHE B 62 28.136 42.571 40.431 1.00 24.28 C +ATOM 2674 CE1 PHE B 62 25.855 41.799 39.025 1.00 20.54 C +ATOM 2675 CE2 PHE B 62 27.510 43.486 39.570 1.00 21.87 C +ATOM 2676 CZ PHE B 62 26.364 43.098 38.869 1.00 24.46 C +ATOM 2677 N TYR B 63 27.779 37.893 43.426 1.00 18.59 N +ATOM 2678 CA TYR B 63 28.417 36.798 44.145 1.00 21.52 C +ATOM 2679 C TYR B 63 28.660 35.609 43.205 1.00 17.17 C +ATOM 2680 O TYR B 63 27.805 35.269 42.395 1.00 14.46 O +ATOM 2681 CB TYR B 63 27.633 36.414 45.421 1.00 21.39 C +ATOM 2682 CG TYR B 63 26.257 35.870 45.189 1.00 15.36 C +ATOM 2683 CD1 TYR B 63 26.071 34.550 44.773 1.00 17.28 C +ATOM 2684 CD2 TYR B 63 25.141 36.662 45.374 1.00 10.27 C +ATOM 2685 CE1 TYR B 63 24.796 34.027 44.543 1.00 8.24 C +ATOM 2686 CE2 TYR B 63 23.855 36.146 45.148 1.00 17.39 C +ATOM 2687 CZ TYR B 63 23.698 34.823 44.728 1.00 14.05 C +ATOM 2688 OH TYR B 63 22.437 34.306 44.490 1.00 21.99 O +ATOM 2689 N LEU B 64 29.842 35.006 43.320 1.00 20.20 N +ATOM 2690 CA LEU B 64 30.273 33.877 42.493 1.00 22.96 C +ATOM 2691 C LEU B 64 30.943 32.792 43.328 1.00 19.31 C +ATOM 2692 O LEU B 64 31.627 33.100 44.303 1.00 19.72 O +ATOM 2693 CB LEU B 64 31.317 34.359 41.463 1.00 23.47 C +ATOM 2694 CG LEU B 64 30.852 35.205 40.280 1.00 21.46 C +ATOM 2695 CD1 LEU B 64 32.033 35.750 39.518 1.00 15.92 C +ATOM 2696 CD2 LEU B 64 29.984 34.348 39.398 1.00 19.28 C +ATOM 2697 N LEU B 65 30.816 31.540 42.899 1.00 15.50 N +ATOM 2698 CA LEU B 65 31.449 30.439 43.600 1.00 17.49 C +ATOM 2699 C LEU B 65 32.303 29.614 42.659 1.00 20.89 C +ATOM 2700 O LEU B 65 31.797 29.015 41.724 1.00 23.06 O +ATOM 2701 CB LEU B 65 30.426 29.530 44.275 1.00 13.69 C +ATOM 2702 CG LEU B 65 31.005 28.271 44.925 1.00 13.60 C +ATOM 2703 CD1 LEU B 65 31.947 28.617 46.042 1.00 17.54 C +ATOM 2704 CD2 LEU B 65 29.875 27.432 45.438 1.00 18.52 C +ATOM 2705 N TYR B 66 33.603 29.608 42.916 1.00 26.59 N +ATOM 2706 CA TYR B 66 34.573 28.849 42.150 1.00 27.89 C +ATOM 2707 C TYR B 66 34.902 27.575 42.922 1.00 30.62 C +ATOM 2708 O TYR B 66 35.272 27.616 44.096 1.00 32.53 O +ATOM 2709 CB TYR B 66 35.844 29.666 41.960 1.00 29.58 C +ATOM 2710 CG TYR B 66 35.702 30.762 40.954 1.00 32.22 C +ATOM 2711 CD1 TYR B 66 35.093 31.968 41.286 1.00 34.17 C +ATOM 2712 CD2 TYR B 66 36.157 30.586 39.658 1.00 33.02 C +ATOM 2713 CE1 TYR B 66 34.939 32.974 40.340 1.00 41.68 C +ATOM 2714 CE2 TYR B 66 36.015 31.575 38.709 1.00 40.43 C +ATOM 2715 CZ TYR B 66 35.404 32.766 39.046 1.00 40.96 C +ATOM 2716 OH TYR B 66 35.254 33.728 38.073 1.00 41.76 O +ATOM 2717 N TYR B 67 34.791 26.444 42.252 1.00 34.46 N +ATOM 2718 CA TYR B 67 35.070 25.183 42.898 1.00 35.83 C +ATOM 2719 C TYR B 67 35.886 24.227 42.041 1.00 35.87 C +ATOM 2720 O TYR B 67 35.939 24.358 40.817 1.00 34.04 O +ATOM 2721 CB TYR B 67 33.768 24.534 43.333 1.00 37.34 C +ATOM 2722 CG TYR B 67 32.768 24.315 42.228 1.00 35.67 C +ATOM 2723 CD1 TYR B 67 31.989 25.365 41.751 1.00 34.17 C +ATOM 2724 CD2 TYR B 67 32.544 23.041 41.717 1.00 38.41 C +ATOM 2725 CE1 TYR B 67 31.009 25.151 40.803 1.00 38.03 C +ATOM 2726 CE2 TYR B 67 31.564 22.813 40.769 1.00 40.41 C +ATOM 2727 CZ TYR B 67 30.798 23.870 40.320 1.00 39.60 C +ATOM 2728 OH TYR B 67 29.802 23.636 39.403 1.00 52.95 O +ATOM 2729 N THR B 68 36.541 23.287 42.713 1.00 38.21 N +ATOM 2730 CA THR B 68 37.374 22.279 42.078 1.00 38.65 C +ATOM 2731 C THR B 68 37.536 21.126 43.053 1.00 41.92 C +ATOM 2732 O THR B 68 37.557 21.344 44.266 1.00 33.98 O +ATOM 2733 CB THR B 68 38.771 22.830 41.743 1.00 36.43 C +ATOM 2734 OG1 THR B 68 39.505 21.832 41.032 1.00 45.39 O +ATOM 2735 CG2 THR B 68 39.537 23.190 42.997 1.00 35.14 C +ATOM 2736 N GLU B 69 37.577 19.902 42.528 1.00 51.80 N +ATOM 2737 CA GLU B 69 37.764 18.711 43.365 1.00 60.82 C +ATOM 2738 C GLU B 69 39.185 18.761 43.927 1.00 61.60 C +ATOM 2739 O GLU B 69 40.064 19.397 43.335 1.00 63.53 O +ATOM 2740 CB GLU B 69 37.610 17.414 42.551 1.00 67.02 C +ATOM 2741 CG GLU B 69 36.322 17.302 41.744 1.00 77.41 C +ATOM 2742 CD GLU B 69 35.992 15.870 41.316 1.00 83.86 C +ATOM 2743 OE1 GLU B 69 36.890 15.172 40.788 1.00 88.49 O +ATOM 2744 OE2 GLU B 69 34.825 15.447 41.502 1.00 83.49 O +ATOM 2745 N PHE B 70 39.400 18.121 45.075 1.00 61.20 N +ATOM 2746 CA PHE B 70 40.721 18.073 45.697 1.00 57.62 C +ATOM 2747 C PHE B 70 40.794 17.191 46.930 1.00 59.42 C +ATOM 2748 O PHE B 70 39.831 17.052 47.694 1.00 57.93 O +ATOM 2749 CB PHE B 70 41.286 19.480 45.992 1.00 50.93 C +ATOM 2750 CG PHE B 70 41.017 20.002 47.392 1.00 43.98 C +ATOM 2751 CD1 PHE B 70 39.723 20.107 47.895 1.00 41.02 C +ATOM 2752 CD2 PHE B 70 42.066 20.475 48.175 1.00 38.95 C +ATOM 2753 CE1 PHE B 70 39.487 20.685 49.156 1.00 37.86 C +ATOM 2754 CE2 PHE B 70 41.832 21.053 49.435 1.00 33.39 C +ATOM 2755 CZ PHE B 70 40.544 21.159 49.919 1.00 28.81 C +ATOM 2756 N THR B 71 41.949 16.560 47.078 1.00 60.86 N +ATOM 2757 CA THR B 71 42.222 15.692 48.202 1.00 56.93 C +ATOM 2758 C THR B 71 43.177 16.497 49.066 1.00 54.13 C +ATOM 2759 O THR B 71 44.331 16.742 48.674 1.00 47.46 O +ATOM 2760 CB THR B 71 42.871 14.365 47.739 1.00 56.15 C +ATOM 2761 OG1 THR B 71 41.894 13.571 47.054 1.00 50.29 O +ATOM 2762 CG2 THR B 71 43.402 13.588 48.915 1.00 60.23 C +ATOM 2763 N PRO B 72 42.670 17.000 50.209 1.00 52.80 N +ATOM 2764 CA PRO B 72 43.438 17.801 51.167 1.00 50.98 C +ATOM 2765 C PRO B 72 44.589 16.948 51.666 1.00 55.43 C +ATOM 2766 O PRO B 72 44.465 15.726 51.792 1.00 57.17 O +ATOM 2767 CB PRO B 72 42.429 18.063 52.286 1.00 52.34 C +ATOM 2768 CG PRO B 72 41.083 17.883 51.634 1.00 52.77 C +ATOM 2769 CD PRO B 72 41.316 16.722 50.720 1.00 51.46 C +ATOM 2770 N THR B 73 45.697 17.584 51.995 1.00 58.77 N +ATOM 2771 CA THR B 73 46.858 16.843 52.452 1.00 65.02 C +ATOM 2772 C THR B 73 47.544 17.642 53.557 1.00 67.84 C +ATOM 2773 O THR B 73 47.399 18.864 53.611 1.00 74.68 O +ATOM 2774 CB THR B 73 47.804 16.573 51.245 1.00 65.52 C +ATOM 2775 OG1 THR B 73 47.340 15.431 50.513 1.00 71.05 O +ATOM 2776 CG2 THR B 73 49.205 16.332 51.684 1.00 66.16 C +ATOM 2777 N GLU B 74 48.225 16.961 54.477 1.00 65.57 N +ATOM 2778 CA GLU B 74 48.907 17.676 55.544 1.00 63.98 C +ATOM 2779 C GLU B 74 49.978 18.597 54.982 1.00 65.71 C +ATOM 2780 O GLU B 74 50.238 19.680 55.508 1.00 61.84 O +ATOM 2781 N LYS B 75 50.562 18.175 53.867 1.00 69.01 N +ATOM 2782 CA LYS B 75 51.625 18.929 53.217 1.00 72.79 C +ATOM 2783 C LYS B 75 51.280 19.922 52.093 1.00 73.03 C +ATOM 2784 O LYS B 75 52.082 20.809 51.809 1.00 76.68 O +ATOM 2785 CB LYS B 75 52.737 17.971 52.764 1.00 75.63 C +ATOM 2786 CG LYS B 75 52.246 16.734 52.040 1.00 80.19 C +ATOM 2787 CD LYS B 75 52.819 15.458 52.642 1.00 89.39 C +ATOM 2788 CE LYS B 75 52.012 14.218 52.244 1.00 93.87 C +ATOM 2789 NZ LYS B 75 51.893 14.007 50.777 1.00 91.81 N +ATOM 2790 N ASP B 76 50.104 19.814 51.473 1.00 69.79 N +ATOM 2791 CA ASP B 76 49.744 20.738 50.385 1.00 65.32 C +ATOM 2792 C ASP B 76 49.016 22.017 50.814 1.00 63.20 C +ATOM 2793 O ASP B 76 48.010 21.968 51.525 1.00 61.62 O +ATOM 2794 CB ASP B 76 48.941 20.018 49.305 1.00 65.26 C +ATOM 2795 CG ASP B 76 49.780 19.043 48.513 1.00 66.78 C +ATOM 2796 OD1 ASP B 76 50.946 19.381 48.194 1.00 66.60 O +ATOM 2797 OD2 ASP B 76 49.269 17.942 48.206 1.00 68.49 O +ATOM 2798 N GLU B 77 49.503 23.159 50.338 1.00 60.38 N +ATOM 2799 CA GLU B 77 48.913 24.448 50.683 1.00 58.09 C +ATOM 2800 C GLU B 77 48.002 24.976 49.583 1.00 53.84 C +ATOM 2801 O GLU B 77 48.438 25.145 48.452 1.00 56.91 O +ATOM 2802 CB GLU B 77 50.020 25.462 50.951 1.00 61.86 C +ATOM 2803 CG GLU B 77 51.006 25.038 52.024 1.00 76.33 C +ATOM 2804 CD GLU B 77 52.130 26.044 52.205 1.00 86.64 C +ATOM 2805 OE1 GLU B 77 51.873 27.122 52.797 1.00 89.03 O +ATOM 2806 OE2 GLU B 77 53.266 25.761 51.749 1.00 90.23 O +ATOM 2807 N TYR B 78 46.752 25.279 49.919 1.00 47.88 N +ATOM 2808 CA TYR B 78 45.795 25.796 48.943 1.00 41.16 C +ATOM 2809 C TYR B 78 45.441 27.264 49.173 1.00 42.73 C +ATOM 2810 O TYR B 78 45.423 27.725 50.323 1.00 46.70 O +ATOM 2811 CB TYR B 78 44.539 24.943 48.973 1.00 37.63 C +ATOM 2812 CG TYR B 78 44.778 23.559 48.457 1.00 36.87 C +ATOM 2813 CD1 TYR B 78 44.724 23.293 47.088 1.00 36.60 C +ATOM 2814 CD2 TYR B 78 45.085 22.519 49.322 1.00 31.58 C +ATOM 2815 CE1 TYR B 78 44.970 22.023 46.594 1.00 37.38 C +ATOM 2816 CE2 TYR B 78 45.334 21.241 48.843 1.00 34.51 C +ATOM 2817 CZ TYR B 78 45.275 20.995 47.475 1.00 40.22 C +ATOM 2818 OH TYR B 78 45.497 19.721 46.986 1.00 39.31 O +ATOM 2819 N ALA B 79 45.149 27.992 48.089 1.00 40.22 N +ATOM 2820 CA ALA B 79 44.793 29.417 48.171 1.00 36.39 C +ATOM 2821 C ALA B 79 43.767 29.869 47.139 1.00 34.17 C +ATOM 2822 O ALA B 79 43.310 29.079 46.317 1.00 30.47 O +ATOM 2823 CB ALA B 79 46.037 30.280 48.044 1.00 34.78 C +ATOM 2824 N CYS B 80 43.394 31.144 47.213 1.00 32.99 N +ATOM 2825 CA CYS B 80 42.457 31.742 46.273 1.00 31.27 C +ATOM 2826 C CYS B 80 42.923 33.157 45.926 1.00 34.62 C +ATOM 2827 O CYS B 80 42.994 34.028 46.798 1.00 30.59 O +ATOM 2828 CB CYS B 80 41.019 31.773 46.817 1.00 29.90 C +ATOM 2829 SG CYS B 80 39.841 32.350 45.544 1.00 40.42 S +ATOM 2830 N ARG B 81 43.347 33.347 44.677 1.00 35.68 N +ATOM 2831 CA ARG B 81 43.789 34.654 44.217 1.00 37.63 C +ATOM 2832 C ARG B 81 42.625 35.382 43.540 1.00 41.76 C +ATOM 2833 O ARG B 81 42.030 34.883 42.584 1.00 39.31 O +ATOM 2834 CB ARG B 81 44.971 34.533 43.261 1.00 33.29 C +ATOM 2835 CG ARG B 81 45.515 35.883 42.794 1.00 34.30 C +ATOM 2836 CD ARG B 81 46.810 35.718 41.996 1.00 40.91 C +ATOM 2837 NE ARG B 81 46.655 34.825 40.847 1.00 41.80 N +ATOM 2838 CZ ARG B 81 47.509 33.857 40.534 1.00 38.71 C +ATOM 2839 NH1 ARG B 81 48.587 33.654 41.282 1.00 35.76 N +ATOM 2840 NH2 ARG B 81 47.280 33.088 39.477 1.00 43.90 N +ATOM 2841 N VAL B 82 42.304 36.559 44.061 1.00 42.15 N +ATOM 2842 CA VAL B 82 41.216 37.364 43.551 1.00 37.63 C +ATOM 2843 C VAL B 82 41.738 38.716 43.099 1.00 39.10 C +ATOM 2844 O VAL B 82 42.674 39.256 43.685 1.00 35.60 O +ATOM 2845 CB VAL B 82 40.149 37.556 44.644 1.00 35.12 C +ATOM 2846 CG1 VAL B 82 39.196 38.682 44.298 1.00 38.68 C +ATOM 2847 CG2 VAL B 82 39.386 36.271 44.829 1.00 35.25 C +ATOM 2848 N ASN B 83 41.174 39.218 42.006 1.00 40.08 N +ATOM 2849 CA ASN B 83 41.543 40.522 41.484 1.00 37.72 C +ATOM 2850 C ASN B 83 40.234 41.217 41.090 1.00 37.19 C +ATOM 2851 O ASN B 83 39.282 40.550 40.653 1.00 32.87 O +ATOM 2852 CB ASN B 83 42.502 40.398 40.304 1.00 38.78 C +ATOM 2853 CG ASN B 83 43.355 41.649 40.110 1.00 43.15 C +ATOM 2854 OD1 ASN B 83 43.373 42.551 40.953 1.00 45.44 O +ATOM 2855 ND2 ASN B 83 44.080 41.699 39.002 1.00 45.14 N +ATOM 2856 N HIS B 84 40.181 42.536 41.317 1.00 36.77 N +ATOM 2857 CA HIS B 84 39.013 43.390 41.057 1.00 35.62 C +ATOM 2858 C HIS B 84 39.494 44.856 41.035 1.00 40.15 C +ATOM 2859 O HIS B 84 40.482 45.189 41.677 1.00 42.44 O +ATOM 2860 CB HIS B 84 38.006 43.186 42.189 1.00 34.59 C +ATOM 2861 CG HIS B 84 36.650 43.776 41.936 1.00 31.67 C +ATOM 2862 ND1 HIS B 84 36.293 45.034 42.369 1.00 29.95 N +ATOM 2863 CD2 HIS B 84 35.534 43.234 41.396 1.00 33.31 C +ATOM 2864 CE1 HIS B 84 35.012 45.241 42.115 1.00 28.35 C +ATOM 2865 NE2 HIS B 84 34.528 44.163 41.526 1.00 31.04 N +ATOM 2866 N VAL B 85 38.772 45.739 40.348 1.00 43.48 N +ATOM 2867 CA VAL B 85 39.174 47.152 40.246 1.00 46.38 C +ATOM 2868 C VAL B 85 39.348 47.906 41.561 1.00 45.36 C +ATOM 2869 O VAL B 85 39.995 48.950 41.599 1.00 45.69 O +ATOM 2870 CB VAL B 85 38.227 47.985 39.309 1.00 48.73 C +ATOM 2871 CG1 VAL B 85 38.512 47.663 37.856 1.00 56.50 C +ATOM 2872 CG2 VAL B 85 36.758 47.712 39.620 1.00 44.65 C +ATOM 2873 N THR B 86 38.755 47.381 42.628 1.00 46.36 N +ATOM 2874 CA THR B 86 38.838 48.006 43.944 1.00 46.37 C +ATOM 2875 C THR B 86 40.176 47.657 44.590 1.00 48.01 C +ATOM 2876 O THR B 86 40.636 48.338 45.499 1.00 48.99 O +ATOM 2877 CB THR B 86 37.675 47.530 44.870 1.00 42.47 C +ATOM 2878 OG1 THR B 86 37.389 46.142 44.632 1.00 41.19 O +ATOM 2879 CG2 THR B 86 36.423 48.346 44.623 1.00 32.31 C +ATOM 2880 N LEU B 87 40.807 46.608 44.080 1.00 48.46 N +ATOM 2881 CA LEU B 87 42.065 46.125 44.608 1.00 49.70 C +ATOM 2882 C LEU B 87 43.295 46.631 43.852 1.00 56.26 C +ATOM 2883 O LEU B 87 43.455 46.387 42.655 1.00 54.91 O +ATOM 2884 CB LEU B 87 42.044 44.593 44.627 1.00 44.64 C +ATOM 2885 CG LEU B 87 40.878 43.957 45.389 1.00 33.51 C +ATOM 2886 CD1 LEU B 87 40.636 42.542 44.933 1.00 29.42 C +ATOM 2887 CD2 LEU B 87 41.163 43.996 46.859 1.00 32.67 C +ATOM 2888 N SER B 88 44.177 47.310 44.584 1.00 63.01 N +ATOM 2889 CA SER B 88 45.420 47.848 44.040 1.00 62.98 C +ATOM 2890 C SER B 88 46.388 46.710 43.681 1.00 63.01 C +ATOM 2891 O SER B 88 47.368 46.922 42.962 1.00 58.73 O +ATOM 2892 CB SER B 88 46.063 48.814 45.058 1.00 66.85 C +ATOM 2893 OG SER B 88 46.039 48.303 46.391 1.00 69.53 O +ATOM 2894 N GLN B 89 46.098 45.514 44.198 1.00 66.06 N +ATOM 2895 CA GLN B 89 46.899 44.305 43.980 1.00 67.07 C +ATOM 2896 C GLN B 89 45.996 43.084 44.213 1.00 63.87 C +ATOM 2897 O GLN B 89 45.008 43.175 44.941 1.00 67.42 O +ATOM 2898 CB GLN B 89 48.080 44.262 44.966 1.00 69.28 C +ATOM 2899 CG GLN B 89 47.677 44.154 46.442 1.00 76.95 C +ATOM 2900 CD GLN B 89 48.853 43.832 47.363 1.00 84.14 C +ATOM 2901 OE1 GLN B 89 50.001 43.706 46.919 1.00 84.90 O +ATOM 2902 NE2 GLN B 89 48.570 43.702 48.655 1.00 84.74 N +ATOM 2903 N PRO B 90 46.328 41.926 43.610 1.00 60.23 N +ATOM 2904 CA PRO B 90 45.514 40.716 43.788 1.00 61.33 C +ATOM 2905 C PRO B 90 45.465 40.250 45.255 1.00 66.37 C +ATOM 2906 O PRO B 90 46.502 40.059 45.900 1.00 69.80 O +ATOM 2907 CB PRO B 90 46.237 39.688 42.915 1.00 54.96 C +ATOM 2908 CG PRO B 90 46.920 40.515 41.888 1.00 55.56 C +ATOM 2909 CD PRO B 90 47.448 41.663 42.695 1.00 58.36 C +ATOM 2910 N LYS B 91 44.259 40.083 45.784 1.00 66.18 N +ATOM 2911 CA LYS B 91 44.082 39.631 47.158 1.00 62.84 C +ATOM 2912 C LYS B 91 44.291 38.115 47.182 1.00 59.01 C +ATOM 2913 O LYS B 91 43.670 37.375 46.425 1.00 55.19 O +ATOM 2914 CB LYS B 91 42.672 40.005 47.653 1.00 64.86 C +ATOM 2915 CG LYS B 91 42.385 39.773 49.139 1.00 65.90 C +ATOM 2916 CD LYS B 91 43.010 40.836 50.028 1.00 68.62 C +ATOM 2917 CE LYS B 91 42.666 40.591 51.492 1.00 69.39 C +ATOM 2918 NZ LYS B 91 43.600 41.300 52.424 1.00 72.64 N +ATOM 2919 N ILE B 92 45.229 37.669 48.002 1.00 58.39 N +ATOM 2920 CA ILE B 92 45.515 36.250 48.141 1.00 58.62 C +ATOM 2921 C ILE B 92 44.957 35.814 49.494 1.00 58.78 C +ATOM 2922 O ILE B 92 45.248 36.433 50.523 1.00 64.20 O +ATOM 2923 CB ILE B 92 47.024 35.977 48.147 1.00 59.43 C +ATOM 2924 CG1 ILE B 92 47.670 36.531 46.878 1.00 59.71 C +ATOM 2925 CG2 ILE B 92 47.277 34.470 48.276 1.00 59.94 C +ATOM 2926 CD1 ILE B 92 47.645 35.566 45.717 1.00 61.83 C +ATOM 2927 N VAL B 93 44.153 34.759 49.494 1.00 52.34 N +ATOM 2928 CA VAL B 93 43.570 34.256 50.721 1.00 46.08 C +ATOM 2929 C VAL B 93 43.931 32.786 50.841 1.00 45.85 C +ATOM 2930 O VAL B 93 43.628 32.005 49.943 1.00 42.51 O +ATOM 2931 CB VAL B 93 42.032 34.442 50.720 1.00 45.30 C +ATOM 2932 CG1 VAL B 93 41.408 33.740 51.914 1.00 47.19 C +ATOM 2933 CG2 VAL B 93 41.692 35.931 50.761 1.00 40.65 C +ATOM 2934 N LYS B 94 44.632 32.424 51.915 1.00 46.36 N +ATOM 2935 CA LYS B 94 45.021 31.037 52.118 1.00 44.46 C +ATOM 2936 C LYS B 94 43.894 30.255 52.760 1.00 42.25 C +ATOM 2937 O LYS B 94 43.056 30.813 53.467 1.00 41.32 O +ATOM 2938 CB LYS B 94 46.272 30.930 52.985 1.00 49.07 C +ATOM 2939 CG LYS B 94 47.537 31.534 52.383 1.00 55.18 C +ATOM 2940 CD LYS B 94 48.727 31.274 53.303 1.00 59.74 C +ATOM 2941 CE LYS B 94 49.879 32.244 53.068 1.00 60.54 C +ATOM 2942 NZ LYS B 94 51.013 32.037 54.027 1.00 61.83 N +ATOM 2943 N TRP B 95 43.860 28.961 52.481 1.00 41.15 N +ATOM 2944 CA TRP B 95 42.847 28.090 53.034 1.00 44.98 C +ATOM 2945 C TRP B 95 43.274 27.582 54.399 1.00 54.25 C +ATOM 2946 O TRP B 95 44.351 26.989 54.543 1.00 57.63 O +ATOM 2947 CB TRP B 95 42.634 26.894 52.128 1.00 38.30 C +ATOM 2948 CG TRP B 95 41.702 25.889 52.707 1.00 32.30 C +ATOM 2949 CD1 TRP B 95 40.401 26.097 53.078 1.00 24.84 C +ATOM 2950 CD2 TRP B 95 41.955 24.494 52.894 1.00 32.40 C +ATOM 2951 NE1 TRP B 95 39.826 24.906 53.460 1.00 30.16 N +ATOM 2952 CE2 TRP B 95 40.754 23.905 53.355 1.00 32.28 C +ATOM 2953 CE3 TRP B 95 43.081 23.676 52.706 1.00 34.62 C +ATOM 2954 CZ2 TRP B 95 40.646 22.528 53.629 1.00 34.26 C +ATOM 2955 CZ3 TRP B 95 42.969 22.304 52.980 1.00 32.92 C +ATOM 2956 CH2 TRP B 95 41.760 21.748 53.435 1.00 27.36 C +ATOM 2957 N ASP B 96 42.413 27.781 55.392 1.00 56.77 N +ATOM 2958 CA ASP B 96 42.684 27.316 56.743 1.00 55.52 C +ATOM 2959 C ASP B 96 41.530 26.390 57.044 1.00 56.41 C +ATOM 2960 O ASP B 96 40.391 26.839 57.102 1.00 59.40 O +ATOM 2961 CB ASP B 96 42.691 28.485 57.727 1.00 60.16 C +ATOM 2962 CG ASP B 96 42.894 28.037 59.168 1.00 65.86 C +ATOM 2963 OD1 ASP B 96 43.242 26.853 59.394 1.00 69.98 O +ATOM 2964 OD2 ASP B 96 42.702 28.873 60.081 1.00 69.88 O +ATOM 2965 N ARG B 97 41.823 25.109 57.259 1.00 56.09 N +ATOM 2966 CA ARG B 97 40.777 24.118 57.513 1.00 56.86 C +ATOM 2967 C ARG B 97 39.858 24.329 58.728 1.00 59.63 C +ATOM 2968 O ARG B 97 38.938 23.536 58.961 1.00 60.32 O +ATOM 2969 CB ARG B 97 41.372 22.712 57.509 1.00 54.38 C +ATOM 2970 CG ARG B 97 42.524 22.515 58.450 1.00 55.68 C +ATOM 2971 CD ARG B 97 42.914 21.055 58.480 1.00 55.45 C +ATOM 2972 NE ARG B 97 43.806 20.712 57.379 1.00 55.16 N +ATOM 2973 CZ ARG B 97 43.817 19.536 56.761 1.00 56.01 C +ATOM 2974 NH1 ARG B 97 42.967 18.581 57.124 1.00 56.18 N +ATOM 2975 NH2 ARG B 97 44.718 19.301 55.813 1.00 55.21 N +ATOM 2976 N ASP B 98 40.102 25.402 59.480 1.00 62.17 N +ATOM 2977 CA ASP B 98 39.305 25.758 60.662 1.00 61.89 C +ATOM 2978 C ASP B 98 38.404 26.983 60.386 1.00 58.46 C +ATOM 2979 O ASP B 98 37.798 27.547 61.304 1.00 55.59 O +ATOM 2980 CB ASP B 98 40.227 26.035 61.872 1.00 60.91 C +ATOM 2981 CG ASP B 98 41.123 24.842 62.229 1.00 59.41 C +ATOM 2982 OD1 ASP B 98 40.631 23.692 62.198 1.00 63.24 O +ATOM 2983 OD2 ASP B 98 42.315 25.053 62.551 1.00 49.32 O +ATOM 2984 N MET B 99 38.335 27.389 59.120 1.00 55.18 N +ATOM 2985 CA MET B 99 37.516 28.518 58.695 1.00 55.22 C +ATOM 2986 C MET B 99 36.655 28.124 57.495 1.00 57.44 C +ATOM 2987 O MET B 99 35.692 28.854 57.199 1.00 56.29 O +ATOM 2988 CB MET B 99 38.392 29.709 58.319 1.00 54.73 C +ATOM 2989 CG MET B 99 38.944 30.468 59.491 1.00 55.66 C +ATOM 2990 SD MET B 99 40.009 31.806 58.930 1.00 67.10 S +ATOM 2991 CE MET B 99 39.057 33.255 59.408 1.00 65.59 C +ATOM 2992 OXT MET B 99 36.930 27.079 56.865 1.00 63.11 O +TER 2993 MET B 99 +ATOM 2994 N LEU C 1 8.747 29.906 34.624 1.00 27.96 N +ATOM 2995 CA LEU C 1 8.526 30.468 33.267 1.00 28.73 C +ATOM 2996 C LEU C 1 8.849 31.957 33.325 1.00 27.50 C +ATOM 2997 O LEU C 1 8.493 32.617 34.289 1.00 29.89 O +ATOM 2998 CB LEU C 1 7.073 30.272 32.867 1.00 29.19 C +ATOM 2999 CG LEU C 1 6.788 30.392 31.380 1.00 27.52 C +ATOM 3000 CD1 LEU C 1 7.337 29.161 30.682 1.00 28.19 C +ATOM 3001 CD2 LEU C 1 5.285 30.511 31.156 1.00 27.18 C +ATOM 3002 N LEU C 2 9.594 32.454 32.346 1.00 26.72 N +ATOM 3003 CA LEU C 2 9.955 33.859 32.313 1.00 24.17 C +ATOM 3004 C LEU C 2 8.797 34.727 31.863 1.00 25.70 C +ATOM 3005 O LEU C 2 7.815 34.252 31.283 1.00 27.53 O +ATOM 3006 CB LEU C 2 11.115 34.120 31.354 1.00 19.35 C +ATOM 3007 CG LEU C 2 12.559 33.732 31.602 1.00 21.18 C +ATOM 3008 CD1 LEU C 2 12.866 32.531 30.798 1.00 27.30 C +ATOM 3009 CD2 LEU C 2 13.461 34.842 31.116 1.00 26.86 C +ATOM 3010 N PHE C 3 8.952 36.019 32.123 1.00 31.27 N +ATOM 3011 CA PHE C 3 7.992 37.045 31.738 1.00 30.86 C +ATOM 3012 C PHE C 3 8.092 37.130 30.215 1.00 28.94 C +ATOM 3013 O PHE C 3 9.177 36.981 29.646 1.00 26.80 O +ATOM 3014 CB PHE C 3 8.408 38.378 32.379 1.00 25.23 C +ATOM 3015 CG PHE C 3 7.573 39.553 31.962 1.00 15.06 C +ATOM 3016 CD1 PHE C 3 6.201 39.433 31.818 1.00 17.71 C +ATOM 3017 CD2 PHE C 3 8.159 40.795 31.776 1.00 13.97 C +ATOM 3018 CE1 PHE C 3 5.421 40.546 31.504 1.00 13.07 C +ATOM 3019 CE2 PHE C 3 7.393 41.916 31.463 1.00 13.40 C +ATOM 3020 CZ PHE C 3 6.025 41.795 31.327 1.00 9.56 C +ATOM 3021 N GLY C 4 6.976 37.389 29.559 1.00 27.95 N +ATOM 3022 CA GLY C 4 7.020 37.457 28.116 1.00 32.61 C +ATOM 3023 C GLY C 4 6.967 38.809 27.433 1.00 33.23 C +ATOM 3024 O GLY C 4 7.038 38.846 26.200 1.00 39.20 O +ATOM 3025 N TYR C 5 6.870 39.908 28.188 1.00 30.22 N +ATOM 3026 CA TYR C 5 6.764 41.232 27.566 1.00 23.52 C +ATOM 3027 C TYR C 5 7.662 42.332 28.079 1.00 23.22 C +ATOM 3028 O TYR C 5 7.173 43.374 28.529 1.00 28.19 O +ATOM 3029 CB TYR C 5 5.313 41.727 27.590 1.00 17.96 C +ATOM 3030 CG TYR C 5 4.348 40.707 27.038 1.00 17.80 C +ATOM 3031 CD1 TYR C 5 4.137 39.509 27.711 1.00 14.87 C +ATOM 3032 CD2 TYR C 5 3.713 40.895 25.819 1.00 12.75 C +ATOM 3033 CE1 TYR C 5 3.347 38.526 27.195 1.00 19.43 C +ATOM 3034 CE2 TYR C 5 2.908 39.908 25.292 1.00 15.01 C +ATOM 3035 CZ TYR C 5 2.740 38.721 25.994 1.00 17.70 C +ATOM 3036 OH TYR C 5 1.994 37.689 25.514 1.00 31.33 O +ATOM 3037 N PRO C 6 8.987 42.100 28.080 1.00 21.62 N +ATOM 3038 CA PRO C 6 9.892 43.156 28.556 1.00 20.31 C +ATOM 3039 C PRO C 6 9.883 44.311 27.542 1.00 23.22 C +ATOM 3040 O PRO C 6 9.742 44.083 26.343 1.00 35.12 O +ATOM 3041 CB PRO C 6 11.248 42.439 28.606 1.00 18.05 C +ATOM 3042 CG PRO C 6 11.117 41.348 27.548 1.00 8.09 C +ATOM 3043 CD PRO C 6 9.720 40.851 27.797 1.00 16.91 C +ATOM 3044 N VAL C 7 10.033 45.542 28.013 1.00 24.96 N +ATOM 3045 CA VAL C 7 10.010 46.709 27.139 1.00 21.69 C +ATOM 3046 C VAL C 7 11.235 47.545 27.393 1.00 21.29 C +ATOM 3047 O VAL C 7 11.759 47.538 28.492 1.00 31.32 O +ATOM 3048 CB VAL C 7 8.736 47.552 27.387 1.00 27.73 C +ATOM 3049 CG1 VAL C 7 8.817 48.903 26.664 1.00 35.39 C +ATOM 3050 CG2 VAL C 7 7.495 46.770 26.916 1.00 27.50 C +ATOM 3051 N TYR C 8 11.716 48.222 26.363 1.00 24.74 N +ATOM 3052 CA TYR C 8 12.897 49.069 26.472 1.00 30.44 C +ATOM 3053 C TYR C 8 12.655 50.211 27.465 1.00 33.78 C +ATOM 3054 O TYR C 8 11.530 50.713 27.573 1.00 33.54 O +ATOM 3055 CB TYR C 8 13.254 49.642 25.088 1.00 35.90 C +ATOM 3056 CG TYR C 8 13.536 48.595 24.024 1.00 39.76 C +ATOM 3057 CD1 TYR C 8 14.425 47.547 24.264 1.00 41.30 C +ATOM 3058 CD2 TYR C 8 12.926 48.662 22.778 1.00 38.67 C +ATOM 3059 CE1 TYR C 8 14.702 46.593 23.295 1.00 42.88 C +ATOM 3060 CE2 TYR C 8 13.196 47.710 21.791 1.00 44.72 C +ATOM 3061 CZ TYR C 8 14.089 46.677 22.053 1.00 47.03 C +ATOM 3062 OH TYR C 8 14.395 45.754 21.064 1.00 44.11 O +ATOM 3063 N VAL C 9 13.699 50.593 28.207 1.00 33.31 N +ATOM 3064 CA VAL C 9 13.606 51.680 29.177 1.00 30.25 C +ATOM 3065 C VAL C 9 13.748 53.015 28.468 1.00 37.94 C +ATOM 3066 O VAL C 9 13.333 54.025 29.062 1.00 47.08 O +ATOM 3067 CB VAL C 9 14.710 51.618 30.267 1.00 26.33 C +ATOM 3068 CG1 VAL C 9 14.662 50.307 31.013 1.00 30.08 C +ATOM 3069 CG2 VAL C 9 16.073 51.872 29.674 1.00 11.60 C +ATOM 3070 OXT VAL C 9 14.315 53.043 27.354 1.00 42.75 O +TER 3071 VAL C 9 +ATOM 3072 N GLN D 1 1.873 23.695 21.102 1.00 54.14 N +ATOM 3073 CA GLN D 1 1.149 24.990 21.258 1.00 56.06 C +ATOM 3074 C GLN D 1 0.037 25.014 20.227 1.00 56.05 C +ATOM 3075 O GLN D 1 0.201 25.597 19.159 1.00 64.80 O +ATOM 3076 CB GLN D 1 2.107 26.154 21.009 1.00 53.77 C +ATOM 3077 CG GLN D 1 3.380 26.068 21.833 1.00 64.69 C +ATOM 3078 CD GLN D 1 4.496 26.920 21.270 1.00 68.07 C +ATOM 3079 OE1 GLN D 1 4.253 28.015 20.774 1.00 66.79 O +ATOM 3080 NE2 GLN D 1 5.728 26.411 21.328 1.00 73.27 N +ATOM 3081 N GLN D 2 -1.065 24.333 20.527 1.00 50.10 N +ATOM 3082 CA GLN D 2 -2.197 24.255 19.610 1.00 47.53 C +ATOM 3083 C GLN D 2 -3.390 25.065 20.119 1.00 41.71 C +ATOM 3084 O GLN D 2 -3.625 25.152 21.322 1.00 41.34 O +ATOM 3085 CB GLN D 2 -2.607 22.786 19.423 1.00 52.88 C +ATOM 3086 CG GLN D 2 -3.291 22.453 18.091 1.00 66.32 C +ATOM 3087 CD GLN D 2 -2.307 22.144 16.948 1.00 73.83 C +ATOM 3088 OE1 GLN D 2 -1.092 22.348 17.069 1.00 77.55 O +ATOM 3089 NE2 GLN D 2 -2.839 21.648 15.833 1.00 76.11 N +ATOM 3090 N VAL D 3 -4.086 25.722 19.200 1.00 38.13 N +ATOM 3091 CA VAL D 3 -5.275 26.502 19.528 1.00 33.35 C +ATOM 3092 C VAL D 3 -6.327 25.877 18.636 1.00 36.11 C +ATOM 3093 O VAL D 3 -6.214 25.917 17.417 1.00 37.78 O +ATOM 3094 CB VAL D 3 -5.137 27.987 19.159 1.00 26.16 C +ATOM 3095 CG1 VAL D 3 -6.434 28.718 19.512 1.00 21.62 C +ATOM 3096 CG2 VAL D 3 -3.934 28.605 19.871 1.00 22.01 C +ATOM 3097 N LYS D 4 -7.309 25.230 19.238 1.00 41.68 N +ATOM 3098 CA LYS D 4 -8.321 24.562 18.457 1.00 45.99 C +ATOM 3099 C LYS D 4 -9.637 25.305 18.396 1.00 44.97 C +ATOM 3100 O LYS D 4 -10.232 25.607 19.420 1.00 47.98 O +ATOM 3101 CB LYS D 4 -8.524 23.128 18.976 1.00 43.65 C +ATOM 3102 N GLN D 5 -10.053 25.657 17.188 1.00 50.42 N +ATOM 3103 CA GLN D 5 -11.338 26.317 16.983 1.00 56.58 C +ATOM 3104 C GLN D 5 -12.208 25.327 16.217 1.00 62.50 C +ATOM 3105 O GLN D 5 -12.062 25.165 15.004 1.00 64.40 O +ATOM 3106 CB GLN D 5 -11.200 27.588 16.150 1.00 51.37 C +ATOM 3107 CG GLN D 5 -10.322 28.648 16.739 1.00 43.70 C +ATOM 3108 CD GLN D 5 -10.193 29.825 15.822 1.00 36.20 C +ATOM 3109 OE1 GLN D 5 -11.097 30.638 15.716 1.00 38.03 O +ATOM 3110 NE2 GLN D 5 -9.063 29.924 15.146 1.00 33.54 N +ATOM 3111 N ASN D 6 -13.030 24.579 16.941 1.00 69.45 N +ATOM 3112 CA ASN D 6 -13.931 23.629 16.303 1.00 72.28 C +ATOM 3113 C ASN D 6 -15.020 24.487 15.679 1.00 73.29 C +ATOM 3114 O ASN D 6 -15.052 25.701 15.899 1.00 79.35 O +ATOM 3115 CB ASN D 6 -14.544 22.690 17.340 1.00 79.21 C +ATOM 3116 CG ASN D 6 -13.608 21.564 17.741 1.00 83.12 C +ATOM 3117 OD1 ASN D 6 -13.931 20.387 17.564 1.00 87.22 O +ATOM 3118 ND2 ASN D 6 -12.450 21.913 18.291 1.00 81.04 N +ATOM 3119 N SER D 7 -15.950 23.860 14.971 1.00 68.63 N +ATOM 3120 CA SER D 7 -17.028 24.600 14.325 1.00 68.89 C +ATOM 3121 C SER D 7 -16.459 25.599 13.319 1.00 65.65 C +ATOM 3122 O SER D 7 -16.195 26.759 13.652 1.00 66.27 O +ATOM 3123 CB SER D 7 -17.901 25.333 15.356 1.00 69.15 C +ATOM 3124 OG SER D 7 -18.576 24.416 16.197 1.00 71.03 O +ATOM 3125 N PRO D 8 -16.262 25.146 12.071 1.00 60.96 N +ATOM 3126 CA PRO D 8 -15.730 25.920 10.947 1.00 56.06 C +ATOM 3127 C PRO D 8 -16.667 27.045 10.496 1.00 55.13 C +ATOM 3128 O PRO D 8 -16.212 28.092 10.044 1.00 54.64 O +ATOM 3129 CB PRO D 8 -15.605 24.870 9.848 1.00 55.92 C +ATOM 3130 CG PRO D 8 -15.506 23.566 10.606 1.00 58.17 C +ATOM 3131 CD PRO D 8 -16.507 23.750 11.673 1.00 57.11 C +ATOM 3132 N SER D 9 -17.972 26.814 10.613 1.00 57.85 N +ATOM 3133 CA SER D 9 -18.976 27.784 10.181 1.00 61.32 C +ATOM 3134 C SER D 9 -19.978 28.195 11.255 1.00 59.96 C +ATOM 3135 O SER D 9 -20.176 27.484 12.244 1.00 62.72 O +ATOM 3136 CB SER D 9 -19.750 27.203 8.996 1.00 65.73 C +ATOM 3137 OG SER D 9 -20.403 25.994 9.364 1.00 75.51 O +ATOM 3138 N LEU D 10 -20.674 29.300 10.992 1.00 57.61 N +ATOM 3139 CA LEU D 10 -21.683 29.824 11.899 1.00 53.79 C +ATOM 3140 C LEU D 10 -22.508 30.940 11.256 1.00 52.11 C +ATOM 3141 O LEU D 10 -21.964 31.961 10.835 1.00 48.34 O +ATOM 3142 CB LEU D 10 -21.024 30.361 13.169 1.00 56.41 C +ATOM 3143 CG LEU D 10 -21.995 30.791 14.267 1.00 54.90 C +ATOM 3144 CD1 LEU D 10 -22.678 29.563 14.858 1.00 56.46 C +ATOM 3145 CD2 LEU D 10 -21.251 31.559 15.337 1.00 55.54 C +ATOM 3146 N SER D 11 -23.820 30.737 11.187 1.00 50.29 N +ATOM 3147 CA SER D 11 -24.728 31.732 10.634 1.00 47.48 C +ATOM 3148 C SER D 11 -25.655 32.177 11.760 1.00 46.58 C +ATOM 3149 O SER D 11 -26.139 31.354 12.533 1.00 44.12 O +ATOM 3150 CB SER D 11 -25.563 31.138 9.495 1.00 55.46 C +ATOM 3151 OG SER D 11 -24.796 30.872 8.326 1.00 64.06 O +ATOM 3152 N VAL D 12 -25.902 33.478 11.848 1.00 46.70 N +ATOM 3153 CA VAL D 12 -26.770 34.042 12.877 1.00 47.37 C +ATOM 3154 C VAL D 12 -27.580 35.180 12.261 1.00 49.24 C +ATOM 3155 O VAL D 12 -27.012 36.067 11.614 1.00 48.13 O +ATOM 3156 CB VAL D 12 -25.952 34.608 14.061 1.00 48.96 C +ATOM 3157 CG1 VAL D 12 -25.476 33.489 14.965 1.00 50.82 C +ATOM 3158 CG2 VAL D 12 -24.759 35.405 13.545 1.00 51.19 C +ATOM 3159 N GLN D 13 -28.900 35.155 12.443 1.00 47.17 N +ATOM 3160 CA GLN D 13 -29.752 36.196 11.881 1.00 45.83 C +ATOM 3161 C GLN D 13 -29.295 37.535 12.410 1.00 43.33 C +ATOM 3162 O GLN D 13 -28.715 37.611 13.486 1.00 46.92 O +ATOM 3163 CB GLN D 13 -31.223 35.972 12.254 1.00 50.54 C +ATOM 3164 CG GLN D 13 -32.210 35.850 11.067 1.00 57.39 C +ATOM 3165 CD GLN D 13 -31.578 36.125 9.711 1.00 58.85 C +ATOM 3166 OE1 GLN D 13 -31.137 35.205 9.016 1.00 60.94 O +ATOM 3167 NE2 GLN D 13 -31.526 37.391 9.335 1.00 59.50 N +ATOM 3168 N GLU D 14 -29.522 38.587 11.641 1.00 45.13 N +ATOM 3169 CA GLU D 14 -29.130 39.913 12.080 1.00 47.90 C +ATOM 3170 C GLU D 14 -29.845 40.269 13.369 1.00 47.02 C +ATOM 3171 O GLU D 14 -30.993 39.867 13.597 1.00 42.09 O +ATOM 3172 CB GLU D 14 -29.454 40.961 11.022 1.00 52.06 C +ATOM 3173 CG GLU D 14 -28.963 42.349 11.407 1.00 57.28 C +ATOM 3174 CD GLU D 14 -29.370 43.428 10.432 1.00 63.55 C +ATOM 3175 OE1 GLU D 14 -29.831 43.110 9.307 1.00 66.86 O +ATOM 3176 OE2 GLU D 14 -29.216 44.612 10.804 1.00 69.38 O +ATOM 3177 N GLY D 15 -29.152 41.026 14.210 1.00 50.50 N +ATOM 3178 CA GLY D 15 -29.726 41.438 15.474 1.00 53.03 C +ATOM 3179 C GLY D 15 -29.492 40.445 16.599 1.00 50.38 C +ATOM 3180 O GLY D 15 -29.488 40.821 17.770 1.00 50.02 O +ATOM 3181 N ARG D 16 -29.317 39.174 16.246 1.00 48.04 N +ATOM 3182 CA ARG D 16 -29.080 38.130 17.228 1.00 48.79 C +ATOM 3183 C ARG D 16 -27.647 38.136 17.780 1.00 52.40 C +ATOM 3184 O ARG D 16 -26.853 39.045 17.502 1.00 54.56 O +ATOM 3185 CB ARG D 16 -29.435 36.776 16.647 1.00 44.11 C +ATOM 3186 N ILE D 17 -27.345 37.133 18.601 1.00 52.87 N +ATOM 3187 CA ILE D 17 -26.043 36.995 19.243 1.00 49.07 C +ATOM 3188 C ILE D 17 -25.201 35.926 18.562 1.00 46.94 C +ATOM 3189 O ILE D 17 -25.713 34.882 18.145 1.00 48.08 O +ATOM 3190 CB ILE D 17 -26.215 36.608 20.739 1.00 49.98 C +ATOM 3191 CG1 ILE D 17 -24.874 36.663 21.460 1.00 46.88 C +ATOM 3192 CG2 ILE D 17 -26.802 35.190 20.864 1.00 52.95 C +ATOM 3193 CD1 ILE D 17 -24.968 36.408 22.941 1.00 45.43 C +ATOM 3194 N SER D 18 -23.910 36.197 18.442 1.00 47.82 N +ATOM 3195 CA SER D 18 -22.991 35.249 17.840 1.00 48.99 C +ATOM 3196 C SER D 18 -21.872 34.975 18.839 1.00 47.77 C +ATOM 3197 O SER D 18 -21.223 35.895 19.338 1.00 44.53 O +ATOM 3198 CB SER D 18 -22.439 35.772 16.504 1.00 51.48 C +ATOM 3199 OG SER D 18 -22.745 37.144 16.279 1.00 58.78 O +ATOM 3200 N ILE D 19 -21.712 33.707 19.195 1.00 48.33 N +ATOM 3201 CA ILE D 19 -20.689 33.303 20.143 1.00 49.18 C +ATOM 3202 C ILE D 19 -19.716 32.326 19.486 1.00 49.64 C +ATOM 3203 O ILE D 19 -20.114 31.242 19.040 1.00 48.35 O +ATOM 3204 CB ILE D 19 -21.342 32.659 21.383 1.00 50.57 C +ATOM 3205 N LEU D 20 -18.452 32.731 19.400 1.00 45.13 N +ATOM 3206 CA LEU D 20 -17.402 31.898 18.828 1.00 45.55 C +ATOM 3207 C LEU D 20 -16.535 31.373 20.003 1.00 47.98 C +ATOM 3208 O LEU D 20 -16.064 32.166 20.826 1.00 48.19 O +ATOM 3209 CB LEU D 20 -16.560 32.716 17.829 1.00 48.42 C +ATOM 3210 N ASN D 21 -16.387 30.045 20.103 1.00 45.03 N +ATOM 3211 CA ASN D 21 -15.604 29.391 21.164 1.00 43.73 C +ATOM 3212 C ASN D 21 -14.200 28.990 20.703 1.00 46.24 C +ATOM 3213 O ASN D 21 -13.971 28.797 19.505 1.00 52.08 O +ATOM 3214 CB ASN D 21 -16.304 28.122 21.662 1.00 42.22 C +ATOM 3215 CG ASN D 21 -17.682 28.380 22.202 1.00 39.20 C +ATOM 3216 OD1 ASN D 21 -17.859 28.653 23.385 1.00 44.04 O +ATOM 3217 ND2 ASN D 21 -18.677 28.247 21.348 1.00 40.61 N +ATOM 3218 N CYS D 22 -13.305 28.751 21.662 1.00 42.58 N +ATOM 3219 CA CYS D 22 -11.926 28.381 21.364 1.00 40.45 C +ATOM 3220 C CYS D 22 -11.316 27.598 22.537 1.00 40.15 C +ATOM 3221 O CYS D 22 -11.718 27.775 23.688 1.00 41.58 O +ATOM 3222 CB CYS D 22 -11.129 29.663 21.106 1.00 40.59 C +ATOM 3223 SG CYS D 22 -9.408 29.491 20.535 1.00 41.63 S +ATOM 3224 N ASP D 23 -10.377 26.707 22.236 1.00 36.98 N +ATOM 3225 CA ASP D 23 -9.694 25.903 23.252 1.00 36.17 C +ATOM 3226 C ASP D 23 -8.222 25.920 22.885 1.00 36.10 C +ATOM 3227 O ASP D 23 -7.885 26.190 21.734 1.00 36.36 O +ATOM 3228 CB ASP D 23 -10.182 24.450 23.250 1.00 38.04 C +ATOM 3229 CG ASP D 23 -11.677 24.323 23.500 1.00 48.54 C +ATOM 3230 OD1 ASP D 23 -12.227 25.064 24.352 1.00 48.42 O +ATOM 3231 OD2 ASP D 23 -12.292 23.459 22.840 1.00 48.41 O +ATOM 3232 N TYR D 24 -7.351 25.629 23.847 1.00 36.93 N +ATOM 3233 CA TYR D 24 -5.917 25.631 23.595 1.00 37.07 C +ATOM 3234 C TYR D 24 -5.159 24.545 24.381 1.00 38.86 C +ATOM 3235 O TYR D 24 -5.743 23.858 25.221 1.00 34.79 O +ATOM 3236 CB TYR D 24 -5.352 27.034 23.853 1.00 33.29 C +ATOM 3237 CG TYR D 24 -5.526 27.576 25.263 1.00 33.50 C +ATOM 3238 CD1 TYR D 24 -4.546 27.362 26.228 1.00 38.86 C +ATOM 3239 CD2 TYR D 24 -6.615 28.367 25.611 1.00 32.44 C +ATOM 3240 CE1 TYR D 24 -4.635 27.925 27.506 1.00 40.53 C +ATOM 3241 CE2 TYR D 24 -6.715 28.942 26.898 1.00 36.30 C +ATOM 3242 CZ TYR D 24 -5.712 28.714 27.838 1.00 36.72 C +ATOM 3243 OH TYR D 24 -5.752 29.272 29.102 1.00 27.18 O +ATOM 3244 N THR D 25 -3.874 24.364 24.079 1.00 41.43 N +ATOM 3245 CA THR D 25 -3.072 23.351 24.761 1.00 42.61 C +ATOM 3246 C THR D 25 -2.043 23.827 25.790 1.00 42.12 C +ATOM 3247 O THR D 25 -2.283 23.705 26.979 1.00 47.58 O +ATOM 3248 CB THR D 25 -2.353 22.377 23.778 1.00 45.92 C +ATOM 3249 OG1 THR D 25 -1.320 23.068 23.048 1.00 48.46 O +ATOM 3250 CG2 THR D 25 -3.346 21.749 22.821 1.00 46.54 C +ATOM 3251 N ASN D 26 -0.917 24.391 25.358 1.00 40.32 N +ATOM 3252 CA ASN D 26 0.117 24.771 26.320 1.00 46.31 C +ATOM 3253 C ASN D 26 -0.244 25.766 27.419 1.00 51.01 C +ATOM 3254 O ASN D 26 -0.894 26.793 27.176 1.00 50.92 O +ATOM 3255 CB ASN D 26 1.438 25.169 25.636 1.00 47.16 C +ATOM 3256 CG ASN D 26 1.359 26.493 24.920 1.00 46.97 C +ATOM 3257 OD1 ASN D 26 0.293 26.927 24.510 1.00 51.25 O +ATOM 3258 ND2 ASN D 26 2.502 27.115 24.718 1.00 41.19 N +ATOM 3259 N SER D 27 0.228 25.439 28.628 1.00 49.13 N +ATOM 3260 CA SER D 27 0.029 26.231 29.839 1.00 43.60 C +ATOM 3261 C SER D 27 0.978 27.433 29.785 1.00 39.06 C +ATOM 3262 O SER D 27 0.952 28.319 30.642 1.00 38.88 O +ATOM 3263 CB SER D 27 0.346 25.354 31.062 1.00 49.19 C +ATOM 3264 OG SER D 27 -0.714 25.345 32.011 1.00 60.38 O +ATOM 3265 N MET D 28 1.791 27.448 28.735 1.00 33.94 N +ATOM 3266 CA MET D 28 2.780 28.476 28.471 1.00 31.24 C +ATOM 3267 C MET D 28 2.221 29.685 27.701 1.00 32.61 C +ATOM 3268 O MET D 28 2.972 30.623 27.408 1.00 34.87 O +ATOM 3269 CB MET D 28 3.916 27.848 27.681 1.00 31.44 C +ATOM 3270 CG MET D 28 5.289 28.167 28.168 1.00 35.39 C +ATOM 3271 SD MET D 28 6.469 27.178 27.243 1.00 44.85 S +ATOM 3272 CE MET D 28 6.004 25.571 27.787 1.00 37.73 C +ATOM 3273 N PHE D 29 0.934 29.652 27.335 1.00 33.55 N +ATOM 3274 CA PHE D 29 0.297 30.782 26.634 1.00 34.48 C +ATOM 3275 C PHE D 29 -0.037 31.825 27.702 1.00 36.28 C +ATOM 3276 O PHE D 29 -0.769 31.521 28.649 1.00 38.45 O +ATOM 3277 CB PHE D 29 -0.988 30.350 25.904 1.00 31.75 C +ATOM 3278 CG PHE D 29 -0.759 29.795 24.517 1.00 30.09 C +ATOM 3279 CD1 PHE D 29 0.428 30.048 23.823 1.00 32.28 C +ATOM 3280 CD2 PHE D 29 -1.730 29.008 23.908 1.00 29.14 C +ATOM 3281 CE1 PHE D 29 0.651 29.522 22.545 1.00 28.12 C +ATOM 3282 CE2 PHE D 29 -1.520 28.478 22.635 1.00 34.22 C +ATOM 3283 CZ PHE D 29 -0.319 28.739 21.952 1.00 31.41 C +ATOM 3284 N ASP D 30 0.476 33.045 27.532 1.00 36.36 N +ATOM 3285 CA ASP D 30 0.293 34.129 28.505 1.00 34.07 C +ATOM 3286 C ASP D 30 -0.605 35.312 28.105 1.00 34.13 C +ATOM 3287 O ASP D 30 -0.921 36.173 28.944 1.00 28.06 O +ATOM 3288 CB ASP D 30 1.676 34.661 28.919 1.00 39.03 C +ATOM 3289 CG ASP D 30 2.580 34.986 27.716 1.00 41.69 C +ATOM 3290 OD1 ASP D 30 2.072 35.241 26.607 1.00 41.54 O +ATOM 3291 OD2 ASP D 30 3.816 34.988 27.882 1.00 43.10 O +ATOM 3292 N TYR D 31 -0.966 35.382 26.824 1.00 31.57 N +ATOM 3293 CA TYR D 31 -1.803 36.453 26.287 1.00 25.76 C +ATOM 3294 C TYR D 31 -2.773 35.812 25.308 1.00 25.97 C +ATOM 3295 O TYR D 31 -2.398 34.892 24.589 1.00 30.78 O +ATOM 3296 CB TYR D 31 -0.932 37.477 25.561 1.00 26.47 C +ATOM 3297 CG TYR D 31 -1.606 38.797 25.270 1.00 30.99 C +ATOM 3298 CD1 TYR D 31 -2.781 39.166 25.925 1.00 35.08 C +ATOM 3299 CD2 TYR D 31 -1.059 39.689 24.352 1.00 25.20 C +ATOM 3300 CE1 TYR D 31 -3.393 40.389 25.673 1.00 33.40 C +ATOM 3301 CE2 TYR D 31 -1.665 40.916 24.093 1.00 32.97 C +ATOM 3302 CZ TYR D 31 -2.829 41.258 24.761 1.00 33.31 C +ATOM 3303 OH TYR D 31 -3.428 42.472 24.536 1.00 41.67 O +ATOM 3304 N PHE D 32 -4.021 36.268 25.312 1.00 24.66 N +ATOM 3305 CA PHE D 32 -5.050 35.716 24.446 1.00 23.68 C +ATOM 3306 C PHE D 32 -5.710 36.838 23.685 1.00 29.41 C +ATOM 3307 O PHE D 32 -5.952 37.924 24.230 1.00 29.04 O +ATOM 3308 CB PHE D 32 -6.058 34.944 25.277 1.00 22.23 C +ATOM 3309 CG PHE D 32 -5.417 33.953 26.185 1.00 30.18 C +ATOM 3310 CD1 PHE D 32 -4.971 34.337 27.451 1.00 30.95 C +ATOM 3311 CD2 PHE D 32 -5.170 32.661 25.752 1.00 30.07 C +ATOM 3312 CE1 PHE D 32 -4.293 33.452 28.267 1.00 25.75 C +ATOM 3313 CE2 PHE D 32 -4.493 31.769 26.558 1.00 30.10 C +ATOM 3314 CZ PHE D 32 -4.049 32.168 27.818 1.00 30.92 C +ATOM 3315 N LEU D 33 -5.973 36.584 22.407 1.00 30.16 N +ATOM 3316 CA LEU D 33 -6.550 37.602 21.555 1.00 26.47 C +ATOM 3317 C LEU D 33 -7.345 37.051 20.371 1.00 24.50 C +ATOM 3318 O LEU D 33 -7.363 35.838 20.130 1.00 23.19 O +ATOM 3319 CB LEU D 33 -5.433 38.587 21.117 1.00 24.25 C +ATOM 3320 CG LEU D 33 -4.052 38.214 20.512 1.00 21.29 C +ATOM 3321 CD1 LEU D 33 -3.196 39.474 20.408 1.00 16.77 C +ATOM 3322 CD2 LEU D 33 -3.296 37.169 21.302 1.00 11.48 C +ATOM 3323 N TRP D 34 -8.086 37.934 19.711 1.00 22.59 N +ATOM 3324 CA TRP D 34 -8.890 37.562 18.556 1.00 24.80 C +ATOM 3325 C TRP D 34 -8.631 38.457 17.357 1.00 24.81 C +ATOM 3326 O TRP D 34 -8.474 39.672 17.492 1.00 24.39 O +ATOM 3327 CB TRP D 34 -10.381 37.602 18.882 1.00 25.07 C +ATOM 3328 CG TRP D 34 -10.874 36.469 19.741 1.00 30.59 C +ATOM 3329 CD1 TRP D 34 -10.861 36.418 21.097 1.00 33.52 C +ATOM 3330 CD2 TRP D 34 -11.505 35.257 19.303 1.00 28.82 C +ATOM 3331 NE1 TRP D 34 -11.453 35.260 21.532 1.00 32.74 N +ATOM 3332 CE2 TRP D 34 -11.855 34.527 20.457 1.00 28.27 C +ATOM 3333 CE3 TRP D 34 -11.810 34.719 18.049 1.00 25.62 C +ATOM 3334 CZ2 TRP D 34 -12.496 33.283 20.396 1.00 31.95 C +ATOM 3335 CZ3 TRP D 34 -12.449 33.476 17.991 1.00 26.55 C +ATOM 3336 CH2 TRP D 34 -12.783 32.775 19.157 1.00 28.68 C +ATOM 3337 N TYR D 35 -8.598 37.838 16.182 1.00 29.09 N +ATOM 3338 CA TYR D 35 -8.390 38.522 14.909 1.00 26.46 C +ATOM 3339 C TYR D 35 -9.596 38.257 14.022 1.00 26.80 C +ATOM 3340 O TYR D 35 -10.182 37.171 14.069 1.00 23.49 O +ATOM 3341 CB TYR D 35 -7.131 38.005 14.225 1.00 20.83 C +ATOM 3342 CG TYR D 35 -5.878 38.735 14.639 1.00 25.12 C +ATOM 3343 CD1 TYR D 35 -5.240 38.461 15.861 1.00 21.93 C +ATOM 3344 CD2 TYR D 35 -5.318 39.695 13.808 1.00 19.54 C +ATOM 3345 CE1 TYR D 35 -4.070 39.137 16.231 1.00 17.43 C +ATOM 3346 CE2 TYR D 35 -4.156 40.374 14.172 1.00 22.75 C +ATOM 3347 CZ TYR D 35 -3.541 40.091 15.375 1.00 19.83 C +ATOM 3348 OH TYR D 35 -2.405 40.777 15.700 1.00 18.77 O +ATOM 3349 N LYS D 36 -9.978 39.269 13.252 1.00 25.54 N +ATOM 3350 CA LYS D 36 -11.113 39.211 12.327 1.00 29.40 C +ATOM 3351 C LYS D 36 -10.497 39.356 10.937 1.00 32.68 C +ATOM 3352 O LYS D 36 -9.664 40.238 10.730 1.00 32.80 O +ATOM 3353 CB LYS D 36 -12.025 40.395 12.617 1.00 32.44 C +ATOM 3354 CG LYS D 36 -13.193 40.625 11.689 1.00 28.83 C +ATOM 3355 CD LYS D 36 -13.889 41.906 12.135 1.00 31.59 C +ATOM 3356 CE LYS D 36 -15.211 42.103 11.440 1.00 44.52 C +ATOM 3357 NZ LYS D 36 -16.139 42.962 12.231 1.00 49.20 N +ATOM 3358 N LYS D 37 -10.897 38.518 9.985 1.00 33.09 N +ATOM 3359 CA LYS D 37 -10.316 38.579 8.641 1.00 35.00 C +ATOM 3360 C LYS D 37 -11.325 38.766 7.524 1.00 39.23 C +ATOM 3361 O LYS D 37 -12.230 37.947 7.373 1.00 44.97 O +ATOM 3362 CB LYS D 37 -9.536 37.301 8.370 1.00 33.45 C +ATOM 3363 CG LYS D 37 -8.950 37.214 6.995 1.00 25.59 C +ATOM 3364 CD LYS D 37 -8.500 35.804 6.718 1.00 29.09 C +ATOM 3365 CE LYS D 37 -8.103 35.649 5.270 1.00 25.85 C +ATOM 3366 NZ LYS D 37 -6.892 36.429 4.970 1.00 29.26 N +ATOM 3367 N TYR D 38 -11.178 39.829 6.736 1.00 41.54 N +ATOM 3368 CA TYR D 38 -12.095 40.058 5.617 1.00 45.76 C +ATOM 3369 C TYR D 38 -11.510 39.400 4.366 1.00 43.78 C +ATOM 3370 O TYR D 38 -10.306 39.165 4.312 1.00 48.49 O +ATOM 3371 CB TYR D 38 -12.299 41.555 5.382 1.00 48.04 C +ATOM 3372 CG TYR D 38 -13.349 42.193 6.263 1.00 53.28 C +ATOM 3373 CD1 TYR D 38 -14.488 41.485 6.666 1.00 54.25 C +ATOM 3374 CD2 TYR D 38 -13.206 43.510 6.689 1.00 56.36 C +ATOM 3375 CE1 TYR D 38 -15.461 42.078 7.474 1.00 56.42 C +ATOM 3376 CE2 TYR D 38 -14.167 44.115 7.492 1.00 61.50 C +ATOM 3377 CZ TYR D 38 -15.293 43.396 7.885 1.00 60.90 C +ATOM 3378 OH TYR D 38 -16.227 44.012 8.693 1.00 60.49 O +ATOM 3379 N PRO D 39 -12.345 39.073 3.360 1.00 43.05 N +ATOM 3380 CA PRO D 39 -11.873 38.435 2.119 1.00 41.67 C +ATOM 3381 C PRO D 39 -10.893 39.322 1.355 1.00 38.90 C +ATOM 3382 O PRO D 39 -11.084 40.539 1.284 1.00 34.64 O +ATOM 3383 CB PRO D 39 -13.160 38.245 1.311 1.00 45.55 C +ATOM 3384 CG PRO D 39 -14.231 38.160 2.352 1.00 45.60 C +ATOM 3385 CD PRO D 39 -13.810 39.243 3.327 1.00 48.54 C +ATOM 3386 N ALA D 40 -9.841 38.708 0.812 1.00 39.01 N +ATOM 3387 CA ALA D 40 -8.811 39.414 0.045 1.00 42.46 C +ATOM 3388 C ALA D 40 -8.005 40.449 0.839 1.00 47.47 C +ATOM 3389 O ALA D 40 -7.362 41.331 0.250 1.00 47.81 O +ATOM 3390 CB ALA D 40 -9.417 40.062 -1.195 1.00 41.45 C +ATOM 3391 N GLU D 41 -8.017 40.321 2.167 1.00 49.16 N +ATOM 3392 CA GLU D 41 -7.280 41.223 3.068 1.00 44.03 C +ATOM 3393 C GLU D 41 -6.581 40.434 4.163 1.00 36.36 C +ATOM 3394 O GLU D 41 -6.912 39.269 4.410 1.00 31.40 O +ATOM 3395 CB GLU D 41 -8.218 42.194 3.772 1.00 44.22 C +ATOM 3396 CG GLU D 41 -9.118 42.991 2.889 1.00 51.65 C +ATOM 3397 CD GLU D 41 -9.967 43.944 3.687 1.00 56.85 C +ATOM 3398 OE1 GLU D 41 -9.882 43.906 4.943 1.00 53.33 O +ATOM 3399 OE2 GLU D 41 -10.713 44.730 3.054 1.00 60.59 O +ATOM 3400 N GLY D 42 -5.666 41.100 4.862 1.00 34.52 N +ATOM 3401 CA GLY D 42 -4.953 40.450 5.948 1.00 35.54 C +ATOM 3402 C GLY D 42 -5.734 40.504 7.247 1.00 36.85 C +ATOM 3403 O GLY D 42 -6.675 41.298 7.371 1.00 36.14 O +ATOM 3404 N PRO D 43 -5.439 39.609 8.202 1.00 39.05 N +ATOM 3405 CA PRO D 43 -6.141 39.598 9.493 1.00 41.62 C +ATOM 3406 C PRO D 43 -5.962 40.908 10.314 1.00 41.91 C +ATOM 3407 O PRO D 43 -4.859 41.483 10.371 1.00 40.17 O +ATOM 3408 CB PRO D 43 -5.508 38.398 10.207 1.00 40.21 C +ATOM 3409 CG PRO D 43 -5.211 37.459 9.084 1.00 40.81 C +ATOM 3410 CD PRO D 43 -4.618 38.392 8.045 1.00 41.18 C +ATOM 3411 N THR D 44 -7.053 41.360 10.941 1.00 40.72 N +ATOM 3412 CA THR D 44 -7.073 42.574 11.769 1.00 38.07 C +ATOM 3413 C THR D 44 -7.254 42.210 13.248 1.00 33.46 C +ATOM 3414 O THR D 44 -8.056 41.323 13.589 1.00 27.47 O +ATOM 3415 CB THR D 44 -8.257 43.507 11.394 1.00 39.14 C +ATOM 3416 OG1 THR D 44 -8.322 43.658 9.973 1.00 47.78 O +ATOM 3417 CG2 THR D 44 -8.085 44.886 12.021 1.00 36.39 C +ATOM 3418 N PHE D 45 -6.493 42.886 14.109 1.00 29.78 N +ATOM 3419 CA PHE D 45 -6.574 42.682 15.545 1.00 28.55 C +ATOM 3420 C PHE D 45 -7.983 43.094 15.923 1.00 28.61 C +ATOM 3421 O PHE D 45 -8.428 44.177 15.544 1.00 31.51 O +ATOM 3422 CB PHE D 45 -5.556 43.563 16.274 1.00 36.06 C +ATOM 3423 CG PHE D 45 -5.712 43.553 17.772 1.00 43.38 C +ATOM 3424 CD1 PHE D 45 -5.637 42.355 18.485 1.00 43.83 C +ATOM 3425 CD2 PHE D 45 -6.001 44.727 18.464 1.00 42.97 C +ATOM 3426 CE1 PHE D 45 -5.852 42.328 19.860 1.00 43.74 C +ATOM 3427 CE2 PHE D 45 -6.217 44.707 19.835 1.00 43.44 C +ATOM 3428 CZ PHE D 45 -6.144 43.504 20.534 1.00 40.13 C +ATOM 3429 N LEU D 46 -8.662 42.252 16.694 1.00 28.90 N +ATOM 3430 CA LEU D 46 -10.045 42.502 17.089 1.00 33.46 C +ATOM 3431 C LEU D 46 -10.283 42.798 18.589 1.00 37.82 C +ATOM 3432 O LEU D 46 -11.105 43.662 18.929 1.00 40.74 O +ATOM 3433 CB LEU D 46 -10.885 41.304 16.631 1.00 28.93 C +ATOM 3434 CG LEU D 46 -12.415 41.226 16.633 1.00 32.85 C +ATOM 3435 CD1 LEU D 46 -12.910 40.394 17.796 1.00 29.34 C +ATOM 3436 CD2 LEU D 46 -13.032 42.608 16.609 1.00 37.94 C +ATOM 3437 N ILE D 47 -9.553 42.118 19.478 1.00 38.07 N +ATOM 3438 CA ILE D 47 -9.738 42.292 20.924 1.00 34.72 C +ATOM 3439 C ILE D 47 -8.822 41.334 21.704 1.00 38.26 C +ATOM 3440 O ILE D 47 -8.484 40.264 21.196 1.00 41.19 O +ATOM 3441 CB ILE D 47 -11.222 42.013 21.287 1.00 28.69 C +ATOM 3442 CG1 ILE D 47 -11.570 42.556 22.668 1.00 21.46 C +ATOM 3443 CG2 ILE D 47 -11.527 40.533 21.170 1.00 33.16 C +ATOM 3444 CD1 ILE D 47 -13.037 42.468 22.975 1.00 14.19 C +ATOM 3445 N SER D 48 -8.409 41.717 22.918 1.00 42.79 N +ATOM 3446 CA SER D 48 -7.534 40.864 23.740 1.00 37.54 C +ATOM 3447 C SER D 48 -8.050 40.608 25.162 1.00 35.03 C +ATOM 3448 O SER D 48 -9.114 41.089 25.547 1.00 32.98 O +ATOM 3449 CB SER D 48 -6.112 41.437 23.788 1.00 37.05 C +ATOM 3450 OG SER D 48 -6.077 42.738 24.357 1.00 39.12 O +ATOM 3451 N ILE D 49 -7.312 39.794 25.913 1.00 36.68 N +ATOM 3452 CA ILE D 49 -7.657 39.459 27.293 1.00 26.66 C +ATOM 3453 C ILE D 49 -6.398 38.958 28.013 1.00 34.13 C +ATOM 3454 O ILE D 49 -5.661 38.103 27.485 1.00 28.15 O +ATOM 3455 CB ILE D 49 -8.818 38.410 27.356 1.00 18.57 C +ATOM 3456 CG1 ILE D 49 -9.469 38.435 28.734 1.00 27.40 C +ATOM 3457 CG2 ILE D 49 -8.335 37.007 27.060 1.00 8.92 C +ATOM 3458 CD1 ILE D 49 -10.729 37.599 28.832 1.00 35.45 C +ATOM 3459 N SER D 50 -6.107 39.557 29.175 1.00 40.43 N +ATOM 3460 CA SER D 50 -4.937 39.190 29.967 1.00 36.42 C +ATOM 3461 C SER D 50 -5.129 37.876 30.651 1.00 39.31 C +ATOM 3462 O SER D 50 -6.240 37.528 31.024 1.00 40.37 O +ATOM 3463 CB SER D 50 -4.629 40.241 31.014 1.00 36.92 C +ATOM 3464 OG SER D 50 -3.443 40.925 30.648 1.00 44.20 O +ATOM 3465 N SER D 51 -4.029 37.179 30.884 1.00 43.87 N +ATOM 3466 CA SER D 51 -4.077 35.874 31.530 1.00 51.38 C +ATOM 3467 C SER D 51 -4.870 35.818 32.845 1.00 52.50 C +ATOM 3468 O SER D 51 -5.413 34.779 33.190 1.00 54.53 O +ATOM 3469 CB SER D 51 -2.652 35.326 31.747 1.00 54.43 C +ATOM 3470 OG SER D 51 -1.846 36.184 32.547 1.00 62.01 O +ATOM 3471 N ILE D 52 -5.024 36.945 33.529 1.00 49.90 N +ATOM 3472 CA ILE D 52 -5.721 36.927 34.818 1.00 46.59 C +ATOM 3473 C ILE D 52 -7.191 37.305 34.861 1.00 47.95 C +ATOM 3474 O ILE D 52 -7.896 36.936 35.802 1.00 51.34 O +ATOM 3475 CB ILE D 52 -4.979 37.771 35.851 1.00 39.86 C +ATOM 3476 CG1 ILE D 52 -4.813 39.191 35.311 1.00 39.44 C +ATOM 3477 CG2 ILE D 52 -3.650 37.110 36.205 1.00 33.47 C +ATOM 3478 CD1 ILE D 52 -4.145 40.151 36.251 1.00 36.84 C +ATOM 3479 N LYS D 53 -7.647 38.061 33.871 1.00 48.96 N +ATOM 3480 CA LYS D 53 -9.039 38.485 33.831 1.00 48.96 C +ATOM 3481 C LYS D 53 -9.951 37.374 33.343 1.00 49.42 C +ATOM 3482 O LYS D 53 -9.487 36.342 32.865 1.00 50.31 O +ATOM 3483 CB LYS D 53 -9.188 39.711 32.962 1.00 49.40 C +ATOM 3484 N ASP D 54 -11.247 37.547 33.563 1.00 50.85 N +ATOM 3485 CA ASP D 54 -12.205 36.560 33.111 1.00 52.70 C +ATOM 3486 C ASP D 54 -12.947 37.037 31.868 1.00 53.84 C +ATOM 3487 O ASP D 54 -13.073 36.300 30.893 1.00 56.20 O +ATOM 3488 CB ASP D 54 -13.172 36.206 34.233 1.00 61.51 C +ATOM 3489 CG ASP D 54 -12.569 35.228 35.230 1.00 70.73 C +ATOM 3490 OD1 ASP D 54 -12.278 34.080 34.834 1.00 74.85 O +ATOM 3491 OD2 ASP D 54 -12.380 35.596 36.412 1.00 77.11 O +ATOM 3492 N LYS D 54A -13.434 38.269 31.897 1.00 48.71 N +ATOM 3493 CA LYS D 54A -14.139 38.813 30.752 1.00 44.59 C +ATOM 3494 C LYS D 54A -13.515 40.149 30.351 1.00 46.70 C +ATOM 3495 O LYS D 54A -12.800 40.767 31.140 1.00 47.77 O +ATOM 3496 CB LYS D 54A -15.613 38.992 31.079 1.00 41.68 C +ATOM 3497 N ASN D 55 -13.714 40.540 29.097 1.00 46.28 N +ATOM 3498 CA ASN D 55 -13.222 41.813 28.587 1.00 45.23 C +ATOM 3499 C ASN D 55 -14.121 42.257 27.442 1.00 48.80 C +ATOM 3500 O ASN D 55 -14.509 41.445 26.606 1.00 46.59 O +ATOM 3501 CB ASN D 55 -11.787 41.720 28.093 1.00 43.35 C +ATOM 3502 CG ASN D 55 -11.258 43.066 27.640 1.00 42.02 C +ATOM 3503 OD1 ASN D 55 -10.463 43.157 26.719 1.00 45.68 O +ATOM 3504 ND2 ASN D 55 -11.712 44.127 28.291 1.00 41.91 N +ATOM 3505 N ALA D 56 -14.412 43.549 27.357 1.00 51.40 N +ATOM 3506 CA ALA D 56 -15.310 43.998 26.304 1.00 57.69 C +ATOM 3507 C ALA D 56 -15.094 45.384 25.708 1.00 60.49 C +ATOM 3508 O ALA D 56 -14.974 46.371 26.436 1.00 62.33 O +ATOM 3509 CB ALA D 56 -16.756 43.863 26.786 1.00 54.86 C +ATOM 3510 N ASP D 57 -14.970 45.434 24.384 1.00 63.97 N +ATOM 3511 CA ASP D 57 -14.849 46.694 23.663 1.00 70.20 C +ATOM 3512 C ASP D 57 -16.081 46.708 22.762 1.00 70.91 C +ATOM 3513 O ASP D 57 -16.219 45.866 21.871 1.00 73.30 O +ATOM 3514 CB ASP D 57 -13.560 46.784 22.818 1.00 80.39 C +ATOM 3515 CG ASP D 57 -13.398 48.155 22.106 1.00 87.15 C +ATOM 3516 OD1 ASP D 57 -14.375 48.953 22.066 1.00 89.92 O +ATOM 3517 OD2 ASP D 57 -12.284 48.446 21.576 1.00 88.97 O +ATOM 3518 N GLY D 58 -17.011 47.602 23.086 1.00 69.23 N +ATOM 3519 CA GLY D 58 -18.247 47.782 22.336 1.00 68.92 C +ATOM 3520 C GLY D 58 -18.739 46.703 21.387 1.00 66.79 C +ATOM 3521 O GLY D 58 -18.355 46.686 20.207 1.00 66.14 O +ATOM 3522 N ARG D 61 -19.636 45.860 21.901 1.00 61.06 N +ATOM 3523 CA ARG D 61 -20.257 44.753 21.167 1.00 57.51 C +ATOM 3524 C ARG D 61 -19.472 43.455 21.280 1.00 55.42 C +ATOM 3525 O ARG D 61 -20.035 42.369 21.147 1.00 54.27 O +ATOM 3526 CB ARG D 61 -20.501 45.102 19.684 1.00 57.09 C +ATOM 3527 CG ARG D 61 -21.948 45.431 19.335 1.00 56.36 C +ATOM 3528 CD ARG D 61 -22.109 45.982 17.926 1.00 60.27 C +ATOM 3529 NE ARG D 61 -21.585 45.095 16.885 1.00 67.61 N +ATOM 3530 CZ ARG D 61 -20.894 45.517 15.827 1.00 70.60 C +ATOM 3531 NH1 ARG D 61 -20.640 46.811 15.663 1.00 75.51 N +ATOM 3532 NH2 ARG D 61 -20.433 44.647 14.940 1.00 69.90 N +ATOM 3533 N PHE D 62 -18.173 43.563 21.525 1.00 53.90 N +ATOM 3534 CA PHE D 62 -17.336 42.380 21.643 1.00 55.30 C +ATOM 3535 C PHE D 62 -16.995 42.113 23.086 1.00 53.84 C +ATOM 3536 O PHE D 62 -16.602 43.018 23.824 1.00 56.69 O +ATOM 3537 CB PHE D 62 -16.058 42.540 20.806 1.00 56.98 C +ATOM 3538 CG PHE D 62 -16.333 42.819 19.360 1.00 53.84 C +ATOM 3539 CD1 PHE D 62 -16.703 41.784 18.500 1.00 52.36 C +ATOM 3540 CD2 PHE D 62 -16.326 44.121 18.884 1.00 51.69 C +ATOM 3541 CE1 PHE D 62 -17.075 42.038 17.200 1.00 48.89 C +ATOM 3542 CE2 PHE D 62 -16.698 44.388 17.585 1.00 54.05 C +ATOM 3543 CZ PHE D 62 -17.077 43.341 16.737 1.00 53.46 C +ATOM 3544 N THR D 63 -17.161 40.868 23.494 1.00 50.06 N +ATOM 3545 CA THR D 63 -16.862 40.499 24.860 1.00 45.79 C +ATOM 3546 C THR D 63 -16.072 39.210 24.790 1.00 43.70 C +ATOM 3547 O THR D 63 -16.504 38.252 24.137 1.00 45.85 O +ATOM 3548 CB THR D 63 -18.151 40.240 25.645 1.00 48.12 C +ATOM 3549 OG1 THR D 63 -19.143 41.226 25.308 1.00 50.07 O +ATOM 3550 CG2 THR D 63 -17.866 40.286 27.117 1.00 44.35 C +ATOM 3551 N VAL D 64 -14.896 39.190 25.405 1.00 42.94 N +ATOM 3552 CA VAL D 64 -14.068 37.995 25.407 1.00 43.28 C +ATOM 3553 C VAL D 64 -14.117 37.331 26.770 1.00 43.99 C +ATOM 3554 O VAL D 64 -14.091 38.000 27.802 1.00 43.37 O +ATOM 3555 CB VAL D 64 -12.607 38.290 25.093 1.00 38.63 C +ATOM 3556 CG1 VAL D 64 -11.884 36.991 24.789 1.00 38.23 C +ATOM 3557 CG2 VAL D 64 -12.506 39.222 23.941 1.00 43.10 C +ATOM 3558 N PHE D 65 -14.186 36.010 26.768 1.00 45.43 N +ATOM 3559 CA PHE D 65 -14.240 35.261 27.998 1.00 47.05 C +ATOM 3560 C PHE D 65 -13.121 34.247 28.048 1.00 48.57 C +ATOM 3561 O PHE D 65 -12.927 33.470 27.103 1.00 49.54 O +ATOM 3562 CB PHE D 65 -15.596 34.572 28.127 1.00 52.96 C +ATOM 3563 CG PHE D 65 -16.755 35.532 28.181 1.00 59.30 C +ATOM 3564 CD1 PHE D 65 -17.046 36.224 29.354 1.00 60.65 C +ATOM 3565 CD2 PHE D 65 -17.540 35.768 27.050 1.00 59.42 C +ATOM 3566 CE1 PHE D 65 -18.103 37.139 29.398 1.00 62.89 C +ATOM 3567 CE2 PHE D 65 -18.600 36.682 27.085 1.00 55.18 C +ATOM 3568 CZ PHE D 65 -18.880 37.366 28.256 1.00 59.78 C +ATOM 3569 N LEU D 66 -12.331 34.336 29.114 1.00 44.66 N +ATOM 3570 CA LEU D 66 -11.223 33.420 29.360 1.00 39.85 C +ATOM 3571 C LEU D 66 -11.655 32.560 30.542 1.00 41.62 C +ATOM 3572 O LEU D 66 -12.425 32.996 31.395 1.00 44.17 O +ATOM 3573 CB LEU D 66 -9.931 34.183 29.705 1.00 28.23 C +ATOM 3574 CG LEU D 66 -8.673 33.354 29.964 1.00 23.66 C +ATOM 3575 CD1 LEU D 66 -8.464 32.370 28.828 1.00 29.91 C +ATOM 3576 CD2 LEU D 66 -7.465 34.246 30.134 1.00 18.40 C +ATOM 3577 N ASN D 67 -11.202 31.318 30.547 1.00 41.22 N +ATOM 3578 CA ASN D 67 -11.525 30.381 31.604 1.00 38.15 C +ATOM 3579 C ASN D 67 -10.382 29.409 31.599 1.00 37.79 C +ATOM 3580 O ASN D 67 -10.488 28.303 31.070 1.00 39.32 O +ATOM 3581 CB ASN D 67 -12.836 29.665 31.267 1.00 43.92 C +ATOM 3582 CG ASN D 67 -13.246 28.665 32.328 1.00 50.58 C +ATOM 3583 OD1 ASN D 67 -13.825 29.021 33.347 1.00 58.70 O +ATOM 3584 ND2 ASN D 67 -12.969 27.402 32.079 1.00 55.99 N +ATOM 3585 N LYS D 68 -9.259 29.870 32.132 1.00 40.79 N +ATOM 3586 CA LYS D 68 -8.030 29.093 32.173 1.00 45.94 C +ATOM 3587 C LYS D 68 -8.162 27.679 32.713 1.00 49.81 C +ATOM 3588 O LYS D 68 -7.409 26.790 32.308 1.00 51.71 O +ATOM 3589 CB LYS D 68 -6.970 29.831 32.970 1.00 43.21 C +ATOM 3590 CG LYS D 68 -6.915 31.310 32.614 1.00 49.16 C +ATOM 3591 CD LYS D 68 -5.973 32.067 33.566 1.00 55.31 C +ATOM 3592 CE LYS D 68 -4.507 32.014 33.090 1.00 62.17 C +ATOM 3593 NZ LYS D 68 -3.603 32.828 34.012 1.00 64.45 N +ATOM 3594 N SER D 69 -9.068 27.486 33.661 1.00 51.57 N +ATOM 3595 CA SER D 69 -9.249 26.157 34.219 1.00 55.27 C +ATOM 3596 C SER D 69 -9.580 25.176 33.118 1.00 56.52 C +ATOM 3597 O SER D 69 -9.115 24.039 33.134 1.00 57.97 O +ATOM 3598 CB SER D 69 -10.342 26.136 35.281 1.00 62.30 C +ATOM 3599 OG SER D 69 -9.771 25.888 36.551 1.00 77.25 O +ATOM 3600 N ALA D 70 -10.401 25.626 32.170 1.00 60.24 N +ATOM 3601 CA ALA D 70 -10.792 24.793 31.034 1.00 59.86 C +ATOM 3602 C ALA D 70 -9.972 25.081 29.780 1.00 57.38 C +ATOM 3603 O ALA D 70 -10.166 24.432 28.758 1.00 63.83 O +ATOM 3604 CB ALA D 70 -12.287 24.937 30.738 1.00 62.96 C +ATOM 3605 N LYS D 71 -9.070 26.059 29.842 1.00 50.02 N +ATOM 3606 CA LYS D 71 -8.243 26.405 28.681 1.00 50.29 C +ATOM 3607 C LYS D 71 -9.179 26.630 27.484 1.00 52.35 C +ATOM 3608 O LYS D 71 -9.034 26.011 26.423 1.00 51.55 O +ATOM 3609 CB LYS D 71 -7.236 25.287 28.381 1.00 46.85 C +ATOM 3610 N HIS D 72 -10.139 27.533 27.674 1.00 51.95 N +ATOM 3611 CA HIS D 72 -11.134 27.847 26.664 1.00 49.52 C +ATOM 3612 C HIS D 72 -11.383 29.350 26.638 1.00 48.87 C +ATOM 3613 O HIS D 72 -11.594 29.959 27.680 1.00 47.59 O +ATOM 3614 CB HIS D 72 -12.419 27.059 26.981 1.00 52.82 C +ATOM 3615 CG HIS D 72 -13.679 27.615 26.389 1.00 57.95 C +ATOM 3616 ND1 HIS D 72 -14.214 28.823 26.751 1.00 63.23 N +ATOM 3617 CD2 HIS D 72 -14.550 27.065 25.509 1.00 59.03 C +ATOM 3618 CE1 HIS D 72 -15.373 29.019 26.126 1.00 60.77 C +ATOM 3619 NE2 HIS D 72 -15.595 27.956 25.366 1.00 62.56 N +ATOM 3620 N LEU D 73 -11.326 29.930 25.444 1.00 49.06 N +ATOM 3621 CA LEU D 73 -11.555 31.357 25.247 1.00 44.43 C +ATOM 3622 C LEU D 73 -12.797 31.519 24.367 1.00 43.11 C +ATOM 3623 O LEU D 73 -13.129 30.625 23.585 1.00 39.92 O +ATOM 3624 CB LEU D 73 -10.341 31.989 24.577 1.00 42.01 C +ATOM 3625 CG LEU D 73 -10.233 33.510 24.572 1.00 44.81 C +ATOM 3626 CD1 LEU D 73 -10.012 34.035 25.965 1.00 45.77 C +ATOM 3627 CD2 LEU D 73 -9.079 33.904 23.693 1.00 53.55 C +ATOM 3628 N SER D 74 -13.485 32.648 24.487 1.00 40.95 N +ATOM 3629 CA SER D 74 -14.684 32.867 23.700 1.00 35.24 C +ATOM 3630 C SER D 74 -14.892 34.322 23.328 1.00 31.31 C +ATOM 3631 O SER D 74 -14.294 35.223 23.923 1.00 25.58 O +ATOM 3632 CB SER D 74 -15.905 32.342 24.450 1.00 42.74 C +ATOM 3633 OG SER D 74 -17.077 32.434 23.649 1.00 50.84 O +ATOM 3634 N LEU D 75 -15.768 34.538 22.354 1.00 29.49 N +ATOM 3635 CA LEU D 75 -16.073 35.870 21.869 1.00 32.13 C +ATOM 3636 C LEU D 75 -17.546 35.992 21.629 1.00 29.90 C +ATOM 3637 O LEU D 75 -18.110 35.222 20.855 1.00 34.46 O +ATOM 3638 CB LEU D 75 -15.365 36.126 20.535 1.00 37.36 C +ATOM 3639 CG LEU D 75 -15.590 37.503 19.890 1.00 38.64 C +ATOM 3640 CD1 LEU D 75 -15.049 38.608 20.812 1.00 33.44 C +ATOM 3641 CD2 LEU D 75 -14.925 37.555 18.513 1.00 34.51 C +ATOM 3642 N HIS D 76 -18.172 36.964 22.277 1.00 28.79 N +ATOM 3643 CA HIS D 76 -19.593 37.190 22.074 1.00 31.48 C +ATOM 3644 C HIS D 76 -19.777 38.494 21.321 1.00 34.08 C +ATOM 3645 O HIS D 76 -19.195 39.523 21.703 1.00 30.56 O +ATOM 3646 CB HIS D 76 -20.355 37.262 23.395 1.00 33.31 C +ATOM 3647 CG HIS D 76 -20.386 35.963 24.142 1.00 38.93 C +ATOM 3648 ND1 HIS D 76 -21.518 35.492 24.767 1.00 38.27 N +ATOM 3649 CD2 HIS D 76 -19.407 35.071 24.402 1.00 42.97 C +ATOM 3650 CE1 HIS D 76 -21.229 34.365 25.395 1.00 39.54 C +ATOM 3651 NE2 HIS D 76 -19.959 34.083 25.193 1.00 39.25 N +ATOM 3652 N ILE D 77 -20.450 38.405 20.173 1.00 36.29 N +ATOM 3653 CA ILE D 77 -20.765 39.571 19.361 1.00 34.69 C +ATOM 3654 C ILE D 77 -22.263 39.771 19.492 1.00 40.18 C +ATOM 3655 O ILE D 77 -23.071 38.911 19.118 1.00 36.87 O +ATOM 3656 CB ILE D 77 -20.408 39.415 17.870 1.00 30.42 C +ATOM 3657 CG1 ILE D 77 -18.914 39.122 17.713 1.00 26.25 C +ATOM 3658 CG2 ILE D 77 -20.770 40.699 17.133 1.00 23.21 C +ATOM 3659 CD1 ILE D 77 -18.462 38.951 16.297 1.00 25.87 C +ATOM 3660 N VAL D 78 -22.601 40.837 20.202 1.00 48.29 N +ATOM 3661 CA VAL D 78 -23.973 41.243 20.448 1.00 51.95 C +ATOM 3662 C VAL D 78 -23.961 42.755 20.407 1.00 53.22 C +ATOM 3663 O VAL D 78 -23.146 43.396 21.071 1.00 55.44 O +ATOM 3664 CB VAL D 78 -24.431 40.886 21.873 1.00 53.28 C +ATOM 3665 CG1 VAL D 78 -25.943 40.970 21.962 1.00 56.52 C +ATOM 3666 CG2 VAL D 78 -23.900 39.542 22.302 1.00 53.56 C +ATOM 3667 N PRO D 79 -24.777 43.380 19.538 1.00 54.35 N +ATOM 3668 CA PRO D 79 -25.689 42.670 18.618 1.00 54.80 C +ATOM 3669 C PRO D 79 -24.953 42.476 17.295 1.00 55.09 C +ATOM 3670 O PRO D 79 -24.176 43.332 16.861 1.00 56.57 O +ATOM 3671 CB PRO D 79 -26.823 43.680 18.485 1.00 53.54 C +ATOM 3672 CG PRO D 79 -26.097 45.010 18.536 1.00 55.65 C +ATOM 3673 CD PRO D 79 -25.122 44.790 19.666 1.00 54.93 C +ATOM 3674 N SER D 80 -25.130 41.323 16.660 1.00 52.92 N +ATOM 3675 CA SER D 80 -24.427 41.145 15.412 1.00 59.23 C +ATOM 3676 C SER D 80 -25.059 41.854 14.197 1.00 60.57 C +ATOM 3677 O SER D 80 -26.289 41.849 14.020 1.00 59.72 O +ATOM 3678 CB SER D 80 -24.136 39.656 15.151 1.00 59.04 C +ATOM 3679 OG SER D 80 -25.276 38.848 15.328 1.00 63.25 O +ATOM 3680 N GLN D 81 -24.197 42.539 13.432 1.00 61.12 N +ATOM 3681 CA GLN D 81 -24.550 43.283 12.215 1.00 54.23 C +ATOM 3682 C GLN D 81 -23.975 42.512 11.001 1.00 51.01 C +ATOM 3683 O GLN D 81 -22.979 41.797 11.146 1.00 44.80 O +ATOM 3684 CB GLN D 81 -23.907 44.679 12.247 1.00 54.22 C +ATOM 3685 CG GLN D 81 -24.102 45.507 13.526 1.00 54.66 C +ATOM 3686 CD GLN D 81 -23.337 46.836 13.462 1.00 60.18 C +ATOM 3687 OE1 GLN D 81 -22.416 46.993 12.653 1.00 62.69 O +ATOM 3688 NE2 GLN D 81 -23.720 47.794 14.302 1.00 57.17 N +ATOM 3689 N PRO D 82 -24.573 42.655 9.792 1.00 52.01 N +ATOM 3690 CA PRO D 82 -24.099 41.966 8.578 1.00 47.41 C +ATOM 3691 C PRO D 82 -22.650 42.295 8.195 1.00 40.25 C +ATOM 3692 O PRO D 82 -22.018 41.532 7.473 1.00 38.57 O +ATOM 3693 CB PRO D 82 -25.071 42.445 7.497 1.00 46.29 C +ATOM 3694 CG PRO D 82 -26.325 42.657 8.240 1.00 47.58 C +ATOM 3695 CD PRO D 82 -25.827 43.380 9.491 1.00 54.64 C +ATOM 3696 N GLY D 83 -22.150 43.450 8.634 1.00 34.65 N +ATOM 3697 CA GLY D 83 -20.773 43.812 8.344 1.00 32.07 C +ATOM 3698 C GLY D 83 -19.828 42.899 9.104 1.00 33.56 C +ATOM 3699 O GLY D 83 -18.654 42.821 8.785 1.00 36.23 O +ATOM 3700 N ASP D 84 -20.354 42.197 10.108 1.00 36.75 N +ATOM 3701 CA ASP D 84 -19.573 41.282 10.938 1.00 38.00 C +ATOM 3702 C ASP D 84 -19.175 39.969 10.280 1.00 35.84 C +ATOM 3703 O ASP D 84 -18.374 39.218 10.844 1.00 36.86 O +ATOM 3704 CB ASP D 84 -20.318 40.967 12.244 1.00 39.40 C +ATOM 3705 CG ASP D 84 -20.173 42.059 13.283 1.00 40.23 C +ATOM 3706 OD1 ASP D 84 -19.111 42.724 13.325 1.00 43.35 O +ATOM 3707 OD2 ASP D 84 -21.121 42.237 14.074 1.00 38.78 O +ATOM 3708 N SER D 85 -19.795 39.641 9.153 1.00 31.50 N +ATOM 3709 CA SER D 85 -19.473 38.406 8.465 1.00 29.00 C +ATOM 3710 C SER D 85 -17.993 38.496 8.160 1.00 31.51 C +ATOM 3711 O SER D 85 -17.513 39.506 7.641 1.00 36.81 O +ATOM 3712 CB SER D 85 -20.284 38.272 7.181 1.00 32.72 C +ATOM 3713 OG SER D 85 -21.676 38.140 7.454 1.00 40.50 O +ATOM 3714 N ALA D 86 -17.262 37.466 8.559 1.00 27.79 N +ATOM 3715 CA ALA D 86 -15.828 37.424 8.364 1.00 16.74 C +ATOM 3716 C ALA D 86 -15.353 36.146 9.009 1.00 18.32 C +ATOM 3717 O ALA D 86 -16.151 35.413 9.590 1.00 20.93 O +ATOM 3718 CB ALA D 86 -15.191 38.607 9.039 1.00 9.62 C +ATOM 3719 N VAL D 87 -14.081 35.819 8.830 1.00 22.76 N +ATOM 3720 CA VAL D 87 -13.542 34.631 9.466 1.00 25.74 C +ATOM 3721 C VAL D 87 -12.842 35.215 10.667 1.00 27.80 C +ATOM 3722 O VAL D 87 -12.043 36.161 10.528 1.00 21.83 O +ATOM 3723 CB VAL D 87 -12.479 33.875 8.622 1.00 26.26 C +ATOM 3724 CG1 VAL D 87 -11.882 32.738 9.442 1.00 20.60 C +ATOM 3725 CG2 VAL D 87 -13.099 33.289 7.373 1.00 28.68 C +ATOM 3726 N TYR D 88 -13.216 34.711 11.840 1.00 28.01 N +ATOM 3727 CA TYR D 88 -12.626 35.147 13.092 1.00 23.49 C +ATOM 3728 C TYR D 88 -11.614 34.130 13.597 1.00 23.77 C +ATOM 3729 O TYR D 88 -11.915 32.934 13.697 1.00 23.02 O +ATOM 3730 CB TYR D 88 -13.719 35.390 14.118 1.00 23.44 C +ATOM 3731 CG TYR D 88 -14.610 36.562 13.779 1.00 17.31 C +ATOM 3732 CD1 TYR D 88 -14.234 37.853 14.099 1.00 22.57 C +ATOM 3733 CD2 TYR D 88 -15.827 36.373 13.152 1.00 17.75 C +ATOM 3734 CE1 TYR D 88 -15.049 38.925 13.811 1.00 21.82 C +ATOM 3735 CE2 TYR D 88 -16.650 37.442 12.855 1.00 19.49 C +ATOM 3736 CZ TYR D 88 -16.254 38.713 13.189 1.00 19.77 C +ATOM 3737 OH TYR D 88 -17.072 39.787 12.928 1.00 33.64 O +ATOM 3738 N PHE D 89 -10.384 34.599 13.782 1.00 22.73 N +ATOM 3739 CA PHE D 89 -9.294 33.770 14.267 1.00 31.24 C +ATOM 3740 C PHE D 89 -8.951 34.012 15.726 1.00 34.24 C +ATOM 3741 O PHE D 89 -8.601 35.125 16.103 1.00 31.93 O +ATOM 3742 CB PHE D 89 -8.030 34.045 13.483 1.00 32.95 C +ATOM 3743 CG PHE D 89 -8.099 33.637 12.068 1.00 37.61 C +ATOM 3744 CD1 PHE D 89 -7.838 32.326 11.704 1.00 37.97 C +ATOM 3745 CD2 PHE D 89 -8.371 34.581 11.082 1.00 41.55 C +ATOM 3746 CE1 PHE D 89 -7.832 31.961 10.370 1.00 42.86 C +ATOM 3747 CE2 PHE D 89 -8.368 34.232 9.742 1.00 41.04 C +ATOM 3748 CZ PHE D 89 -8.101 32.920 9.380 1.00 43.64 C +ATOM 3749 N CYS D 90 -9.049 32.958 16.530 1.00 37.99 N +ATOM 3750 CA CYS D 90 -8.703 32.986 17.947 1.00 40.02 C +ATOM 3751 C CYS D 90 -7.206 32.709 18.026 1.00 36.18 C +ATOM 3752 O CYS D 90 -6.716 31.765 17.404 1.00 38.88 O +ATOM 3753 CB CYS D 90 -9.481 31.893 18.685 1.00 44.30 C +ATOM 3754 SG CYS D 90 -8.850 31.435 20.333 1.00 51.36 S +ATOM 3755 N ALA D 91 -6.484 33.530 18.779 1.00 36.00 N +ATOM 3756 CA ALA D 91 -5.037 33.383 18.910 1.00 31.99 C +ATOM 3757 C ALA D 91 -4.552 33.530 20.353 1.00 31.98 C +ATOM 3758 O ALA D 91 -5.273 34.027 21.220 1.00 33.84 O +ATOM 3759 CB ALA D 91 -4.340 34.395 18.022 1.00 20.54 C +ATOM 3760 N ALA D 92 -3.310 33.123 20.579 1.00 28.62 N +ATOM 3761 CA ALA D 92 -2.672 33.179 21.877 1.00 26.60 C +ATOM 3762 C ALA D 92 -1.163 33.346 21.671 1.00 26.91 C +ATOM 3763 O ALA D 92 -0.615 32.779 20.735 1.00 27.88 O +ATOM 3764 CB ALA D 92 -2.952 31.888 22.622 1.00 30.87 C +ATOM 3765 N MET D 93 -0.485 34.121 22.515 1.00 25.12 N +ATOM 3766 CA MET D 93 0.957 34.274 22.352 1.00 26.40 C +ATOM 3767 C MET D 93 1.709 33.504 23.419 1.00 28.96 C +ATOM 3768 O MET D 93 1.163 33.199 24.480 1.00 37.76 O +ATOM 3769 CB MET D 93 1.380 35.734 22.448 1.00 17.29 C +ATOM 3770 CG MET D 93 0.360 36.694 21.957 1.00 25.08 C +ATOM 3771 SD MET D 93 1.153 38.034 21.108 1.00 27.40 S +ATOM 3772 CE MET D 93 1.442 39.183 22.294 1.00 36.11 C +ATOM 3773 N GLU D 94 2.943 33.132 23.105 1.00 30.52 N +ATOM 3774 CA GLU D 94 3.830 32.470 24.052 1.00 29.13 C +ATOM 3775 C GLU D 94 4.991 33.486 24.135 1.00 29.06 C +ATOM 3776 O GLU D 94 6.085 33.275 23.602 1.00 22.51 O +ATOM 3777 CB GLU D 94 4.287 31.115 23.507 1.00 27.95 C +ATOM 3778 CG GLU D 94 5.229 30.397 24.445 1.00 31.09 C +ATOM 3779 CD GLU D 94 5.587 29.025 23.960 1.00 36.63 C +ATOM 3780 OE1 GLU D 94 4.767 28.116 24.166 1.00 43.11 O +ATOM 3781 OE2 GLU D 94 6.677 28.843 23.378 1.00 35.76 O +ATOM 3782 N GLY D 95 4.713 34.607 24.794 1.00 28.50 N +ATOM 3783 CA GLY D 95 5.663 35.700 24.880 1.00 31.56 C +ATOM 3784 C GLY D 95 5.178 36.680 23.806 1.00 34.99 C +ATOM 3785 O GLY D 95 4.203 36.387 23.107 1.00 41.17 O +ATOM 3786 N ALA D 96 5.874 37.786 23.585 1.00 29.55 N +ATOM 3787 CA ALA D 96 5.406 38.753 22.594 1.00 28.88 C +ATOM 3788 C ALA D 96 5.966 38.544 21.191 1.00 31.96 C +ATOM 3789 O ALA D 96 5.684 39.321 20.275 1.00 34.63 O +ATOM 3790 CB ALA D 96 5.682 40.172 23.072 1.00 23.18 C +ATOM 3791 N GLN D 102 6.777 37.503 21.030 1.00 32.07 N +ATOM 3792 CA GLN D 102 7.399 37.188 19.744 1.00 21.37 C +ATOM 3793 C GLN D 102 6.931 35.877 19.094 1.00 15.81 C +ATOM 3794 O GLN D 102 7.588 35.330 18.201 1.00 13.66 O +ATOM 3795 CB GLN D 102 8.925 37.256 19.884 1.00 23.58 C +ATOM 3796 CG GLN D 102 9.411 38.631 20.383 1.00 8.66 C +ATOM 3797 CD GLN D 102 10.902 38.704 20.569 1.00 12.56 C +ATOM 3798 OE1 GLN D 102 11.539 37.717 20.916 1.00 18.82 O +ATOM 3799 NE2 GLN D 102 11.474 39.880 20.347 1.00 13.35 N +ATOM 3800 N LYS D 103 5.787 35.385 19.553 1.00 9.21 N +ATOM 3801 CA LYS D 103 5.181 34.199 18.990 1.00 14.61 C +ATOM 3802 C LYS D 103 3.667 34.272 19.120 1.00 17.63 C +ATOM 3803 O LYS D 103 3.138 34.440 20.211 1.00 20.52 O +ATOM 3804 CB LYS D 103 5.709 32.900 19.596 1.00 16.39 C +ATOM 3805 CG LYS D 103 4.972 31.685 19.010 1.00 20.58 C +ATOM 3806 CD LYS D 103 5.774 30.383 18.964 1.00 31.79 C +ATOM 3807 CE LYS D 103 5.036 29.340 18.091 1.00 42.86 C +ATOM 3808 NZ LYS D 103 5.576 27.931 18.113 1.00 53.32 N +ATOM 3809 N LEU D 104 2.987 34.148 17.984 1.00 22.37 N +ATOM 3810 CA LEU D 104 1.530 34.178 17.897 1.00 23.26 C +ATOM 3811 C LEU D 104 1.115 32.814 17.355 1.00 27.26 C +ATOM 3812 O LEU D 104 1.770 32.276 16.462 1.00 30.15 O +ATOM 3813 CB LEU D 104 1.091 35.232 16.884 1.00 34.69 C +ATOM 3814 CG LEU D 104 -0.109 36.107 17.199 1.00 33.73 C +ATOM 3815 CD1 LEU D 104 -1.318 35.291 17.484 1.00 35.05 C +ATOM 3816 CD2 LEU D 104 0.244 36.915 18.404 1.00 50.00 C +ATOM 3817 N VAL D 105 0.052 32.242 17.901 1.00 22.34 N +ATOM 3818 CA VAL D 105 -0.426 30.957 17.447 1.00 19.61 C +ATOM 3819 C VAL D 105 -1.907 31.065 17.169 1.00 20.42 C +ATOM 3820 O VAL D 105 -2.695 31.338 18.066 1.00 23.79 O +ATOM 3821 CB VAL D 105 -0.141 29.877 18.493 1.00 25.84 C +ATOM 3822 CG1 VAL D 105 -0.673 28.502 18.040 1.00 18.81 C +ATOM 3823 CG2 VAL D 105 1.354 29.831 18.758 1.00 19.30 C +ATOM 3824 N PHE D 106 -2.271 30.897 15.903 1.00 22.03 N +ATOM 3825 CA PHE D 106 -3.663 30.992 15.500 1.00 23.18 C +ATOM 3826 C PHE D 106 -4.323 29.631 15.475 1.00 24.69 C +ATOM 3827 O PHE D 106 -3.671 28.593 15.587 1.00 23.42 O +ATOM 3828 CB PHE D 106 -3.801 31.628 14.112 1.00 19.54 C +ATOM 3829 CG PHE D 106 -3.278 33.027 14.023 1.00 18.44 C +ATOM 3830 CD1 PHE D 106 -1.928 33.259 13.818 1.00 16.04 C +ATOM 3831 CD2 PHE D 106 -4.139 34.117 14.132 1.00 19.58 C +ATOM 3832 CE1 PHE D 106 -1.438 34.561 13.722 1.00 26.67 C +ATOM 3833 CE2 PHE D 106 -3.663 35.425 14.035 1.00 18.89 C +ATOM 3834 CZ PHE D 106 -2.311 35.651 13.833 1.00 22.65 C +ATOM 3835 N GLY D 107 -5.640 29.667 15.351 1.00 26.69 N +ATOM 3836 CA GLY D 107 -6.417 28.456 15.270 1.00 30.71 C +ATOM 3837 C GLY D 107 -6.920 28.311 13.846 1.00 36.68 C +ATOM 3838 O GLY D 107 -6.550 29.084 12.953 1.00 38.23 O +ATOM 3839 N GLN D 108 -7.889 27.424 13.667 1.00 37.03 N +ATOM 3840 CA GLN D 108 -8.420 27.144 12.346 1.00 32.38 C +ATOM 3841 C GLN D 108 -9.291 28.277 11.807 1.00 31.92 C +ATOM 3842 O GLN D 108 -9.340 28.502 10.608 1.00 36.11 O +ATOM 3843 CB GLN D 108 -9.163 25.799 12.335 1.00 29.77 C +ATOM 3844 CG GLN D 108 -9.015 24.905 13.595 1.00 33.21 C +ATOM 3845 CD GLN D 108 -7.581 24.570 13.991 1.00 37.15 C +ATOM 3846 OE1 GLN D 108 -6.813 25.434 14.384 1.00 43.02 O +ATOM 3847 NE2 GLN D 108 -7.245 23.296 13.962 1.00 47.19 N +ATOM 3848 N GLY D 109 -9.850 29.075 12.707 1.00 31.34 N +ATOM 3849 CA GLY D 109 -10.714 30.172 12.309 1.00 28.51 C +ATOM 3850 C GLY D 109 -12.145 29.684 12.114 1.00 33.86 C +ATOM 3851 O GLY D 109 -12.387 28.483 11.928 1.00 30.28 O +ATOM 3852 N THR D 110 -13.095 30.610 12.193 1.00 36.46 N +ATOM 3853 CA THR D 110 -14.505 30.293 12.004 1.00 37.86 C +ATOM 3854 C THR D 110 -15.170 31.389 11.175 1.00 42.28 C +ATOM 3855 O THR D 110 -15.001 32.586 11.451 1.00 37.90 O +ATOM 3856 CB THR D 110 -15.252 30.124 13.359 1.00 41.48 C +ATOM 3857 OG1 THR D 110 -14.786 28.934 14.010 1.00 42.58 O +ATOM 3858 CG2 THR D 110 -16.774 30.020 13.151 1.00 40.97 C +ATOM 3859 N ARG D 111 -15.852 30.973 10.110 1.00 44.72 N +ATOM 3860 CA ARG D 111 -16.550 31.907 9.237 1.00 45.96 C +ATOM 3861 C ARG D 111 -17.852 32.308 9.862 1.00 42.64 C +ATOM 3862 O ARG D 111 -18.733 31.474 10.089 1.00 43.25 O +ATOM 3863 CB ARG D 111 -16.908 31.289 7.896 1.00 53.12 C +ATOM 3864 CG ARG D 111 -15.790 31.042 6.962 1.00 63.88 C +ATOM 3865 CD ARG D 111 -16.349 30.363 5.756 1.00 69.04 C +ATOM 3866 NE ARG D 111 -15.286 29.813 4.943 1.00 82.77 N +ATOM 3867 CZ ARG D 111 -15.479 29.285 3.745 1.00 94.65 C +ATOM 3868 NH1 ARG D 111 -16.702 29.235 3.233 1.00 99.99 N +ATOM 3869 NH2 ARG D 111 -14.445 28.842 3.044 1.00 99.98 N +ATOM 3870 N LEU D 112 -17.968 33.583 10.169 1.00 38.72 N +ATOM 3871 CA LEU D 112 -19.205 34.064 10.713 1.00 38.73 C +ATOM 3872 C LEU D 112 -19.962 34.691 9.556 1.00 38.19 C +ATOM 3873 O LEU D 112 -19.408 35.486 8.785 1.00 33.44 O +ATOM 3874 CB LEU D 112 -18.977 35.091 11.814 1.00 36.29 C +ATOM 3875 CG LEU D 112 -20.317 35.470 12.436 1.00 34.29 C +ATOM 3876 CD1 LEU D 112 -20.947 34.197 12.997 1.00 30.30 C +ATOM 3877 CD2 LEU D 112 -20.156 36.555 13.507 1.00 35.18 C +ATOM 3878 N THR D 113 -21.217 34.289 9.420 1.00 40.91 N +ATOM 3879 CA THR D 113 -22.085 34.801 8.379 1.00 41.49 C +ATOM 3880 C THR D 113 -23.300 35.412 9.072 1.00 42.07 C +ATOM 3881 O THR D 113 -24.131 34.700 9.643 1.00 41.37 O +ATOM 3882 CB THR D 113 -22.531 33.667 7.388 1.00 43.22 C +ATOM 3883 OG1 THR D 113 -21.377 33.053 6.787 1.00 40.86 O +ATOM 3884 CG2 THR D 113 -23.416 34.230 6.282 1.00 40.64 C +ATOM 3885 N ILE D 114 -23.298 36.735 9.168 1.00 43.22 N +ATOM 3886 CA ILE D 114 -24.414 37.451 9.758 1.00 47.64 C +ATOM 3887 C ILE D 114 -25.389 37.730 8.592 1.00 47.30 C +ATOM 3888 O ILE D 114 -25.105 38.514 7.678 1.00 48.71 O +ATOM 3889 CB ILE D 114 -23.926 38.751 10.430 1.00 43.13 C +ATOM 3890 N ASN D 115 -26.509 37.016 8.609 1.00 45.04 N +ATOM 3891 CA ASN D 115 -27.554 37.107 7.589 1.00 43.66 C +ATOM 3892 C ASN D 115 -28.494 38.298 7.775 1.00 46.41 C +ATOM 3893 O ASN D 115 -29.150 38.414 8.813 1.00 46.87 O +ATOM 3894 CB ASN D 115 -28.392 35.838 7.622 1.00 36.95 C +ATOM 3895 CG ASN D 115 -27.557 34.599 7.535 1.00 36.56 C +ATOM 3896 OD1 ASN D 115 -26.373 34.658 7.214 1.00 38.62 O +ATOM 3897 ND2 ASN D 115 -28.155 33.463 7.846 1.00 39.68 N +ATOM 3898 N PRO D 116 -28.644 39.151 6.740 1.00 49.13 N +ATOM 3899 CA PRO D 116 -29.533 40.316 6.855 1.00 50.06 C +ATOM 3900 C PRO D 116 -31.002 39.889 6.929 1.00 50.64 C +ATOM 3901 O PRO D 116 -31.367 38.808 6.447 1.00 47.70 O +ATOM 3902 CB PRO D 116 -29.262 41.084 5.557 1.00 48.50 C +ATOM 3903 CG PRO D 116 -27.919 40.579 5.106 1.00 45.34 C +ATOM 3904 CD PRO D 116 -28.013 39.118 5.412 1.00 46.58 C +ATOM 3905 N ASN D 117 -31.833 40.712 7.561 1.00 51.34 N +ATOM 3906 CA ASN D 117 -33.258 40.403 7.677 1.00 56.82 C +ATOM 3907 C ASN D 117 -33.923 40.812 6.365 1.00 57.32 C +ATOM 3908 O ASN D 117 -33.722 41.942 5.908 1.00 64.77 O +ATOM 3909 CB ASN D 117 -33.912 41.197 8.828 1.00 59.70 C +ATOM 3910 CG ASN D 117 -33.459 40.744 10.217 1.00 55.90 C +ATOM 3911 OD1 ASN D 117 -33.272 39.547 10.473 1.00 55.16 O +ATOM 3912 ND2 ASN D 117 -33.309 41.706 11.128 1.00 45.27 N +ATOM 3913 N ILE D 118 -34.698 39.916 5.757 1.00 53.00 N +ATOM 3914 CA ILE D 118 -35.372 40.258 4.505 1.00 53.36 C +ATOM 3915 C ILE D 118 -36.787 40.748 4.825 1.00 54.21 C +ATOM 3916 O ILE D 118 -37.601 39.989 5.358 1.00 56.24 O +ATOM 3917 CB ILE D 118 -35.464 39.059 3.526 1.00 53.06 C +ATOM 3918 CG1 ILE D 118 -34.204 38.187 3.580 1.00 54.40 C +ATOM 3919 CG2 ILE D 118 -35.591 39.583 2.103 1.00 56.88 C +ATOM 3920 CD1 ILE D 118 -32.966 38.815 2.939 1.00 51.25 C +ATOM 3921 N GLN D 119 -37.075 41.999 4.460 1.00 54.25 N +ATOM 3922 CA GLN D 119 -38.375 42.637 4.710 1.00 52.49 C +ATOM 3923 C GLN D 119 -39.535 41.993 3.950 1.00 55.12 C +ATOM 3924 O GLN D 119 -40.517 41.557 4.555 1.00 55.96 O +ATOM 3925 CB GLN D 119 -38.297 44.122 4.395 1.00 49.00 C +ATOM 3926 N ASN D 120 -39.438 41.956 2.624 1.00 59.57 N +ATOM 3927 CA ASN D 120 -40.486 41.346 1.813 1.00 62.68 C +ATOM 3928 C ASN D 120 -39.887 40.455 0.718 1.00 62.56 C +ATOM 3929 O ASN D 120 -39.588 40.929 -0.375 1.00 67.82 O +ATOM 3930 CB ASN D 120 -41.385 42.428 1.211 1.00 62.03 C +ATOM 3931 CG ASN D 120 -42.823 41.982 1.119 1.00 67.47 C +ATOM 3932 OD1 ASN D 120 -43.103 40.793 0.973 1.00 69.55 O +ATOM 3933 ND2 ASN D 120 -43.750 42.924 1.255 1.00 74.35 N +ATOM 3934 N PRO D 121 -39.647 39.162 1.026 1.00 63.15 N +ATOM 3935 CA PRO D 121 -39.072 38.188 0.091 1.00 62.11 C +ATOM 3936 C PRO D 121 -40.067 37.451 -0.780 1.00 61.25 C +ATOM 3937 O PRO D 121 -41.237 37.284 -0.424 1.00 58.55 O +ATOM 3938 CB PRO D 121 -38.378 37.173 1.010 1.00 63.80 C +ATOM 3939 CG PRO D 121 -38.535 37.720 2.411 1.00 71.50 C +ATOM 3940 CD PRO D 121 -39.774 38.555 2.356 1.00 68.61 C +ATOM 3941 N ASP D 122 -39.541 36.939 -1.887 1.00 59.77 N +ATOM 3942 CA ASP D 122 -40.298 36.153 -2.859 1.00 59.12 C +ATOM 3943 C ASP D 122 -39.270 35.410 -3.717 1.00 56.84 C +ATOM 3944 O ASP D 122 -38.797 35.913 -4.744 1.00 57.54 O +ATOM 3945 CB ASP D 122 -41.285 37.008 -3.689 1.00 59.78 C +ATOM 3946 CG ASP D 122 -40.614 38.124 -4.479 1.00 63.11 C +ATOM 3947 OD1 ASP D 122 -39.488 38.539 -4.119 1.00 67.26 O +ATOM 3948 OD2 ASP D 122 -41.242 38.598 -5.459 1.00 54.43 O +ATOM 3949 N PRO D 123 -38.886 34.204 -3.283 1.00 51.13 N +ATOM 3950 CA PRO D 123 -37.913 33.343 -3.950 1.00 48.34 C +ATOM 3951 C PRO D 123 -38.332 33.111 -5.375 1.00 46.08 C +ATOM 3952 O PRO D 123 -39.510 33.241 -5.690 1.00 47.22 O +ATOM 3953 CB PRO D 123 -37.984 32.041 -3.152 1.00 49.01 C +ATOM 3954 CG PRO D 123 -38.484 32.464 -1.819 1.00 53.55 C +ATOM 3955 CD PRO D 123 -39.544 33.469 -2.183 1.00 50.89 C +ATOM 3956 N ALA D 124 -37.382 32.725 -6.216 1.00 44.29 N +ATOM 3957 CA ALA D 124 -37.666 32.477 -7.621 1.00 39.89 C +ATOM 3958 C ALA D 124 -36.414 32.028 -8.350 1.00 37.46 C +ATOM 3959 O ALA D 124 -35.306 32.421 -7.976 1.00 37.66 O +ATOM 3960 CB ALA D 124 -38.174 33.771 -8.261 1.00 38.91 C +ATOM 3961 N VAL D 125 -36.578 31.179 -9.358 1.00 33.58 N +ATOM 3962 CA VAL D 125 -35.438 30.771 -10.166 1.00 36.96 C +ATOM 3963 C VAL D 125 -35.768 31.302 -11.549 1.00 36.74 C +ATOM 3964 O VAL D 125 -36.890 31.126 -12.044 1.00 33.15 O +ATOM 3965 CB VAL D 125 -35.174 29.241 -10.194 1.00 39.22 C +ATOM 3966 CG1 VAL D 125 -35.031 28.698 -8.783 1.00 41.61 C +ATOM 3967 CG2 VAL D 125 -36.232 28.518 -10.969 1.00 47.03 C +ATOM 3968 N TYR D 126 -34.845 32.081 -12.099 1.00 36.23 N +ATOM 3969 CA TYR D 126 -35.020 32.687 -13.411 1.00 36.91 C +ATOM 3970 C TYR D 126 -33.941 32.160 -14.339 1.00 39.44 C +ATOM 3971 O TYR D 126 -32.824 31.876 -13.892 1.00 41.11 O +ATOM 3972 CB TYR D 126 -34.887 34.214 -13.318 1.00 31.88 C +ATOM 3973 CG TYR D 126 -35.896 34.896 -12.412 1.00 31.84 C +ATOM 3974 CD1 TYR D 126 -37.261 34.890 -12.718 1.00 32.53 C +ATOM 3975 CD2 TYR D 126 -35.482 35.566 -11.261 1.00 32.52 C +ATOM 3976 CE1 TYR D 126 -38.190 35.536 -11.903 1.00 34.09 C +ATOM 3977 CE2 TYR D 126 -36.400 36.217 -10.435 1.00 34.65 C +ATOM 3978 CZ TYR D 126 -37.754 36.201 -10.759 1.00 38.52 C +ATOM 3979 OH TYR D 126 -38.668 36.843 -9.938 1.00 39.14 O +ATOM 3980 N GLN D 127 -34.276 31.986 -15.615 1.00 41.90 N +ATOM 3981 CA GLN D 127 -33.289 31.524 -16.586 1.00 42.76 C +ATOM 3982 C GLN D 127 -32.874 32.764 -17.338 1.00 40.40 C +ATOM 3983 O GLN D 127 -33.717 33.527 -17.808 1.00 41.00 O +ATOM 3984 CB GLN D 127 -33.875 30.501 -17.549 1.00 49.43 C +ATOM 3985 CG GLN D 127 -32.816 29.618 -18.195 1.00 58.71 C +ATOM 3986 CD GLN D 127 -33.401 28.683 -19.230 1.00 67.85 C +ATOM 3987 OE1 GLN D 127 -33.729 29.110 -20.337 1.00 74.14 O +ATOM 3988 NE2 GLN D 127 -33.526 27.399 -18.886 1.00 68.40 N +ATOM 3989 N LEU D 128 -31.579 33.010 -17.376 1.00 38.16 N +ATOM 3990 CA LEU D 128 -31.055 34.181 -18.046 1.00 41.56 C +ATOM 3991 C LEU D 128 -30.258 33.648 -19.211 1.00 46.80 C +ATOM 3992 O LEU D 128 -29.612 32.602 -19.082 1.00 47.59 O +ATOM 3993 CB LEU D 128 -30.159 34.974 -17.090 1.00 47.70 C +ATOM 3994 CG LEU D 128 -30.832 35.609 -15.857 1.00 53.44 C +ATOM 3995 CD1 LEU D 128 -31.373 34.562 -14.890 1.00 47.98 C +ATOM 3996 CD2 LEU D 128 -29.842 36.494 -15.134 1.00 55.06 C +ATOM 3997 N ARG D 129 -30.303 34.350 -20.344 1.00 48.28 N +ATOM 3998 CA ARG D 129 -29.591 33.922 -21.547 1.00 47.73 C +ATOM 3999 C ARG D 129 -28.434 34.851 -21.906 1.00 45.29 C +ATOM 4000 O ARG D 129 -28.504 36.056 -21.663 1.00 43.32 O +ATOM 4001 CB ARG D 129 -30.563 33.795 -22.711 1.00 48.56 C +ATOM 4002 N ASP D 130 -27.352 34.264 -22.418 1.00 44.15 N +ATOM 4003 CA ASP D 130 -26.150 34.994 -22.821 1.00 47.63 C +ATOM 4004 C ASP D 130 -26.401 36.203 -23.731 1.00 52.97 C +ATOM 4005 O ASP D 130 -27.313 36.210 -24.564 1.00 56.13 O +ATOM 4006 CB ASP D 130 -25.150 34.040 -23.501 1.00 43.70 C +ATOM 4007 CG ASP D 130 -23.710 34.577 -23.509 1.00 42.97 C +ATOM 4008 OD1 ASP D 130 -23.495 35.799 -23.481 1.00 46.72 O +ATOM 4009 OD2 ASP D 130 -22.765 33.760 -23.551 1.00 47.32 O +ATOM 4010 N SER D 131 -25.622 37.252 -23.482 1.00 55.03 N +ATOM 4011 CA SER D 131 -25.668 38.474 -24.268 1.00 54.81 C +ATOM 4012 C SER D 131 -25.373 38.105 -25.710 1.00 56.18 C +ATOM 4013 O SER D 131 -25.831 38.772 -26.624 1.00 51.77 O +ATOM 4014 CB SER D 131 -24.591 39.440 -23.759 1.00 54.44 C +ATOM 4015 OG SER D 131 -24.235 40.401 -24.735 1.00 61.37 O +ATOM 4016 N LYS D 132 -24.622 37.015 -25.872 1.00 61.79 N +ATOM 4017 CA LYS D 132 -24.224 36.507 -27.180 1.00 73.44 C +ATOM 4018 C LYS D 132 -24.760 35.084 -27.447 1.00 78.11 C +ATOM 4019 O LYS D 132 -24.349 34.487 -28.467 1.00 87.04 O +ATOM 4020 CB LYS D 132 -22.694 36.536 -27.293 1.00 71.58 C +ATOM 4021 N SER D 137 -27.272 29.532 -21.026 1.00 66.01 N +ATOM 4022 CA SER D 137 -28.287 29.833 -19.975 1.00 61.13 C +ATOM 4023 C SER D 137 -27.807 29.475 -18.570 1.00 58.37 C +ATOM 4024 O SER D 137 -27.213 28.413 -18.358 1.00 59.57 O +ATOM 4025 CB SER D 137 -29.597 29.098 -20.286 1.00 55.52 C +ATOM 4026 N VAL D 138 -28.023 30.395 -17.634 1.00 55.30 N +ATOM 4027 CA VAL D 138 -27.667 30.191 -16.229 1.00 52.57 C +ATOM 4028 C VAL D 138 -28.930 30.447 -15.397 1.00 52.99 C +ATOM 4029 O VAL D 138 -29.728 31.319 -15.737 1.00 59.80 O +ATOM 4030 CB VAL D 138 -26.541 31.160 -15.750 1.00 47.68 C +ATOM 4031 CG1 VAL D 138 -25.250 30.906 -16.506 1.00 51.31 C +ATOM 4032 CG2 VAL D 138 -26.960 32.595 -15.920 1.00 42.99 C +ATOM 4033 N CYS D 139 -29.162 29.628 -14.380 1.00 49.68 N +ATOM 4034 CA CYS D 139 -30.312 29.782 -13.502 1.00 45.90 C +ATOM 4035 C CYS D 139 -29.979 30.628 -12.287 1.00 43.60 C +ATOM 4036 O CYS D 139 -29.036 30.327 -11.554 1.00 40.18 O +ATOM 4037 CB CYS D 139 -30.791 28.417 -13.031 1.00 51.84 C +ATOM 4038 SG CYS D 139 -31.311 27.348 -14.396 1.00 56.31 S +ATOM 4039 N LEU D 140 -30.764 31.674 -12.069 1.00 39.30 N +ATOM 4040 CA LEU D 140 -30.570 32.560 -10.934 1.00 36.02 C +ATOM 4041 C LEU D 140 -31.685 32.349 -9.909 1.00 41.82 C +ATOM 4042 O LEU D 140 -32.863 32.579 -10.214 1.00 45.30 O +ATOM 4043 CB LEU D 140 -30.564 34.015 -11.407 1.00 31.18 C +ATOM 4044 CG LEU D 140 -30.607 35.135 -10.357 1.00 34.63 C +ATOM 4045 CD1 LEU D 140 -29.252 35.313 -9.676 1.00 22.09 C +ATOM 4046 CD2 LEU D 140 -31.029 36.439 -11.030 1.00 36.88 C +ATOM 4047 N PHE D 141 -31.308 31.835 -8.732 1.00 42.10 N +ATOM 4048 CA PHE D 141 -32.214 31.588 -7.595 1.00 35.31 C +ATOM 4049 C PHE D 141 -31.962 32.814 -6.743 1.00 34.56 C +ATOM 4050 O PHE D 141 -30.878 32.974 -6.180 1.00 33.67 O +ATOM 4051 CB PHE D 141 -31.801 30.310 -6.839 1.00 33.64 C +ATOM 4052 CG PHE D 141 -32.610 30.022 -5.593 1.00 26.48 C +ATOM 4053 CD1 PHE D 141 -33.978 30.274 -5.547 1.00 32.37 C +ATOM 4054 CD2 PHE D 141 -31.995 29.471 -4.469 1.00 27.82 C +ATOM 4055 CE1 PHE D 141 -34.732 29.983 -4.399 1.00 30.01 C +ATOM 4056 CE2 PHE D 141 -32.733 29.174 -3.317 1.00 34.01 C +ATOM 4057 CZ PHE D 141 -34.109 29.432 -3.283 1.00 29.91 C +ATOM 4058 N THR D 142 -32.960 33.677 -6.648 1.00 32.75 N +ATOM 4059 CA THR D 142 -32.796 34.919 -5.928 1.00 32.06 C +ATOM 4060 C THR D 142 -34.027 35.271 -5.107 1.00 38.15 C +ATOM 4061 O THR D 142 -35.034 34.553 -5.139 1.00 37.45 O +ATOM 4062 CB THR D 142 -32.500 36.050 -6.961 1.00 30.99 C +ATOM 4063 OG1 THR D 142 -32.058 37.252 -6.302 1.00 33.63 O +ATOM 4064 CG2 THR D 142 -33.740 36.333 -7.832 1.00 20.85 C +ATOM 4065 N ASP D 143 -33.899 36.354 -4.335 1.00 44.05 N +ATOM 4066 CA ASP D 143 -34.958 36.915 -3.485 1.00 46.42 C +ATOM 4067 C ASP D 143 -35.431 36.031 -2.350 1.00 47.22 C +ATOM 4068 O ASP D 143 -36.451 36.333 -1.716 1.00 48.82 O +ATOM 4069 CB ASP D 143 -36.180 37.337 -4.329 1.00 50.12 C +ATOM 4070 CG ASP D 143 -35.900 38.533 -5.234 1.00 48.90 C +ATOM 4071 OD1 ASP D 143 -34.860 39.195 -5.038 1.00 50.13 O +ATOM 4072 OD2 ASP D 143 -36.726 38.808 -6.135 1.00 44.68 O +ATOM 4073 N PHE D 144 -34.719 34.934 -2.106 1.00 47.67 N +ATOM 4074 CA PHE D 144 -35.105 34.010 -1.043 1.00 49.81 C +ATOM 4075 C PHE D 144 -34.782 34.502 0.373 1.00 54.02 C +ATOM 4076 O PHE D 144 -34.138 35.552 0.550 1.00 53.74 O +ATOM 4077 CB PHE D 144 -34.566 32.582 -1.294 1.00 41.75 C +ATOM 4078 CG PHE D 144 -33.083 32.502 -1.511 1.00 38.59 C +ATOM 4079 CD1 PHE D 144 -32.210 32.378 -0.433 1.00 42.40 C +ATOM 4080 CD2 PHE D 144 -32.560 32.526 -2.799 1.00 39.81 C +ATOM 4081 CE1 PHE D 144 -30.833 32.281 -0.639 1.00 43.97 C +ATOM 4082 CE2 PHE D 144 -31.195 32.432 -3.019 1.00 39.49 C +ATOM 4083 CZ PHE D 144 -30.324 32.308 -1.936 1.00 42.26 C +ATOM 4084 N ASP D 145 -35.296 33.779 1.370 1.00 58.88 N +ATOM 4085 CA ASP D 145 -35.070 34.130 2.766 1.00 62.55 C +ATOM 4086 C ASP D 145 -33.716 33.612 3.220 1.00 62.23 C +ATOM 4087 O ASP D 145 -33.306 32.510 2.842 1.00 60.60 O +ATOM 4088 CB ASP D 145 -36.157 33.526 3.667 1.00 69.87 C +ATOM 4089 CG ASP D 145 -36.244 34.222 5.035 1.00 74.49 C +ATOM 4090 OD1 ASP D 145 -36.511 35.444 5.063 1.00 76.84 O +ATOM 4091 OD2 ASP D 145 -36.053 33.559 6.078 1.00 77.25 O +ATOM 4092 N SER D 146 -33.065 34.380 4.092 1.00 62.21 N +ATOM 4093 CA SER D 146 -31.758 34.029 4.652 1.00 59.13 C +ATOM 4094 C SER D 146 -31.851 32.761 5.522 1.00 53.53 C +ATOM 4095 O SER D 146 -30.895 32.345 6.177 1.00 45.77 O +ATOM 4096 CB SER D 146 -31.185 35.230 5.444 1.00 59.22 C +ATOM 4097 OG SER D 146 -30.930 36.361 4.608 1.00 54.44 O +ATOM 4098 N GLN D 147 -33.010 32.123 5.470 1.00 54.88 N +ATOM 4099 CA GLN D 147 -33.311 30.902 6.199 1.00 63.83 C +ATOM 4100 C GLN D 147 -32.951 29.694 5.340 1.00 64.71 C +ATOM 4101 O GLN D 147 -32.523 28.656 5.868 1.00 64.30 O +ATOM 4102 CB GLN D 147 -34.810 30.833 6.433 1.00 72.32 C +ATOM 4103 CG GLN D 147 -35.209 30.585 7.862 1.00 86.51 C +ATOM 4104 CD GLN D 147 -36.675 30.629 8.024 1.00 93.13 C +ATOM 4105 OE1 GLN D 147 -37.257 31.712 8.229 1.00 96.59 O +ATOM 4106 NE2 GLN D 147 -37.354 29.468 7.886 1.00 97.03 N +ATOM 4107 N THR D 148 -33.142 29.838 4.026 1.00 65.31 N +ATOM 4108 CA THR D 148 -32.857 28.800 3.040 1.00 61.63 C +ATOM 4109 C THR D 148 -31.365 28.678 2.803 1.00 63.43 C +ATOM 4110 O THR D 148 -30.715 29.631 2.406 1.00 65.00 O +ATOM 4111 CB THR D 148 -33.563 29.106 1.715 1.00 56.66 C +ATOM 4112 OG1 THR D 148 -34.901 29.515 1.999 1.00 53.75 O +ATOM 4113 CG2 THR D 148 -33.558 27.858 0.838 1.00 52.94 C +ATOM 4114 N ASN D 149 -30.841 27.460 2.961 1.00 66.27 N +ATOM 4115 CA ASN D 149 -29.391 27.221 2.859 1.00 65.41 C +ATOM 4116 C ASN D 149 -28.679 27.098 1.521 1.00 67.35 C +ATOM 4117 O ASN D 149 -27.504 27.439 1.443 1.00 73.65 O +ATOM 4118 CB ASN D 149 -28.966 26.085 3.773 1.00 57.49 C +ATOM 4119 CG ASN D 149 -28.979 26.485 5.230 1.00 54.53 C +ATOM 4120 OD1 ASN D 149 -28.130 27.266 5.683 1.00 46.13 O +ATOM 4121 ND2 ASN D 149 -29.922 25.942 5.980 1.00 53.63 N +ATOM 4122 N VAL D 150 -29.344 26.622 0.477 1.00 63.71 N +ATOM 4123 CA VAL D 150 -28.697 26.430 -0.851 1.00 60.47 C +ATOM 4124 C VAL D 150 -27.754 25.258 -0.924 1.00 60.31 C +ATOM 4125 O VAL D 150 -26.608 25.274 -0.457 1.00 57.89 O +ATOM 4126 CB VAL D 150 -28.032 27.688 -1.480 1.00 58.82 C +ATOM 4127 CG1 VAL D 150 -26.565 27.856 -1.088 1.00 59.73 C +ATOM 4128 CG2 VAL D 150 -28.116 27.548 -2.983 1.00 59.53 C +ATOM 4129 N SER D 151 -28.267 24.220 -1.535 1.00 64.15 N +ATOM 4130 CA SER D 151 -27.547 22.997 -1.721 1.00 67.91 C +ATOM 4131 C SER D 151 -26.740 23.032 -2.993 1.00 71.39 C +ATOM 4132 O SER D 151 -27.234 23.456 -4.040 1.00 73.52 O +ATOM 4133 CB SER D 151 -28.557 21.927 -1.848 1.00 66.78 C +ATOM 4134 OG SER D 151 -29.568 22.426 -2.735 1.00 68.02 O +ATOM 4135 N GLN D 152 -25.549 22.458 -2.936 1.00 75.03 N +ATOM 4136 CA GLN D 152 -24.696 22.463 -4.100 1.00 81.22 C +ATOM 4137 C GLN D 152 -25.041 21.375 -5.118 1.00 84.18 C +ATOM 4138 O GLN D 152 -26.044 20.661 -4.982 1.00 86.52 O +ATOM 4139 CB GLN D 152 -23.226 22.368 -3.696 1.00 80.93 C +ATOM 4140 CG GLN D 152 -22.351 23.154 -4.634 1.00 84.76 C +ATOM 4141 CD GLN D 152 -20.943 23.259 -4.163 1.00 87.61 C +ATOM 4142 OE1 GLN D 152 -20.148 22.338 -4.343 1.00 92.70 O +ATOM 4143 NE2 GLN D 152 -20.604 24.398 -3.573 1.00 88.99 N +ATOM 4144 N SER D 153 -24.224 21.308 -6.168 1.00 86.01 N +ATOM 4145 CA SER D 153 -24.355 20.347 -7.270 1.00 85.05 C +ATOM 4146 C SER D 153 -24.605 18.908 -6.793 1.00 82.01 C +ATOM 4147 O SER D 153 -24.042 18.485 -5.783 1.00 84.24 O +ATOM 4148 CB SER D 153 -23.055 20.401 -8.091 1.00 86.46 C +ATOM 4149 OG SER D 153 -22.311 21.586 -7.824 1.00 83.41 O +ATOM 4150 N LYS D 154 -25.434 18.163 -7.519 1.00 77.37 N +ATOM 4151 CA LYS D 154 -25.722 16.753 -7.198 1.00 70.55 C +ATOM 4152 C LYS D 154 -25.069 15.927 -8.292 1.00 67.13 C +ATOM 4153 O LYS D 154 -24.401 14.916 -8.043 1.00 63.76 O +ATOM 4154 CB LYS D 154 -27.251 16.520 -7.214 1.00 69.37 C +ATOM 4155 N ASP D 155 -25.158 16.455 -9.498 1.00 63.13 N +ATOM 4156 CA ASP D 155 -24.658 15.897 -10.711 1.00 57.75 C +ATOM 4157 C ASP D 155 -23.329 16.622 -10.906 1.00 55.60 C +ATOM 4158 O ASP D 155 -23.317 17.848 -11.051 1.00 55.83 O +ATOM 4159 CB ASP D 155 -25.599 16.316 -11.828 1.00 62.70 C +ATOM 4160 CG ASP D 155 -25.308 15.592 -13.109 1.00 65.37 C +ATOM 4161 OD1 ASP D 155 -24.112 15.452 -13.456 1.00 67.85 O +ATOM 4162 OD2 ASP D 155 -26.294 15.128 -13.755 1.00 60.67 O +ATOM 4163 N SER D 156 -22.246 15.878 -11.083 1.00 54.10 N +ATOM 4164 CA SER D 156 -20.917 16.479 -11.251 1.00 58.15 C +ATOM 4165 C SER D 156 -20.783 17.428 -12.451 1.00 60.82 C +ATOM 4166 O SER D 156 -19.890 18.270 -12.472 1.00 63.25 O +ATOM 4167 CB SER D 156 -19.864 15.363 -11.346 1.00 59.24 C +ATOM 4168 N ASP D 157 -21.671 17.285 -13.434 1.00 61.98 N +ATOM 4169 CA ASP D 157 -21.641 18.114 -14.650 1.00 61.23 C +ATOM 4170 C ASP D 157 -22.595 19.306 -14.587 1.00 52.20 C +ATOM 4171 O ASP D 157 -23.035 19.805 -15.619 1.00 48.42 O +ATOM 4172 CB ASP D 157 -22.002 17.270 -15.889 1.00 72.42 C +ATOM 4173 CG ASP D 157 -21.056 16.103 -16.119 1.00 81.51 C +ATOM 4174 OD1 ASP D 157 -19.847 16.218 -15.761 1.00 87.89 O +ATOM 4175 OD2 ASP D 157 -21.533 15.077 -16.688 1.00 83.64 O +ATOM 4176 N VAL D 158 -22.940 19.731 -13.381 1.00 44.54 N +ATOM 4177 CA VAL D 158 -23.862 20.838 -13.204 1.00 46.01 C +ATOM 4178 C VAL D 158 -23.342 21.668 -12.049 1.00 47.36 C +ATOM 4179 O VAL D 158 -23.242 21.150 -10.935 1.00 53.09 O +ATOM 4180 CB VAL D 158 -25.263 20.323 -12.817 1.00 40.31 C +ATOM 4181 CG1 VAL D 158 -26.278 21.394 -13.032 1.00 46.43 C +ATOM 4182 CG2 VAL D 158 -25.621 19.126 -13.622 1.00 38.69 C +ATOM 4183 N TYR D 159 -23.075 22.954 -12.284 1.00 43.27 N +ATOM 4184 CA TYR D 159 -22.525 23.820 -11.239 1.00 41.09 C +ATOM 4185 C TYR D 159 -23.475 24.767 -10.506 1.00 37.95 C +ATOM 4186 O TYR D 159 -24.263 25.472 -11.114 1.00 36.45 O +ATOM 4187 CB TYR D 159 -21.343 24.608 -11.796 1.00 43.80 C +ATOM 4188 CG TYR D 159 -20.383 23.731 -12.543 1.00 43.92 C +ATOM 4189 CD1 TYR D 159 -19.431 22.974 -11.865 1.00 41.04 C +ATOM 4190 CD2 TYR D 159 -20.486 23.580 -13.920 1.00 46.30 C +ATOM 4191 CE1 TYR D 159 -18.618 22.075 -12.536 1.00 45.33 C +ATOM 4192 CE2 TYR D 159 -19.668 22.678 -14.609 1.00 47.22 C +ATOM 4193 CZ TYR D 159 -18.740 21.926 -13.911 1.00 42.90 C +ATOM 4194 OH TYR D 159 -17.970 20.997 -14.583 1.00 44.67 O +ATOM 4195 N ILE D 160 -23.371 24.793 -9.185 1.00 38.17 N +ATOM 4196 CA ILE D 160 -24.211 25.660 -8.359 1.00 37.75 C +ATOM 4197 C ILE D 160 -23.257 26.436 -7.463 1.00 37.94 C +ATOM 4198 O ILE D 160 -22.303 25.861 -6.939 1.00 39.89 O +ATOM 4199 CB ILE D 160 -25.217 24.843 -7.475 1.00 33.42 C +ATOM 4200 CG1 ILE D 160 -25.982 23.821 -8.327 1.00 29.82 C +ATOM 4201 CG2 ILE D 160 -26.216 25.782 -6.806 1.00 31.46 C +ATOM 4202 CD1 ILE D 160 -27.122 23.122 -7.599 1.00 22.62 C +ATOM 4203 N THR D 161 -23.486 27.737 -7.312 1.00 37.40 N +ATOM 4204 CA THR D 161 -22.623 28.574 -6.486 1.00 37.67 C +ATOM 4205 C THR D 161 -23.173 28.705 -5.067 1.00 41.30 C +ATOM 4206 O THR D 161 -24.354 28.438 -4.830 1.00 40.15 O +ATOM 4207 CB THR D 161 -22.464 29.976 -7.104 1.00 35.98 C +ATOM 4208 OG1 THR D 161 -23.740 30.624 -7.191 1.00 35.51 O +ATOM 4209 CG2 THR D 161 -21.890 29.866 -8.496 1.00 38.05 C +ATOM 4210 N ASP D 162 -22.313 29.086 -4.123 1.00 45.51 N +ATOM 4211 CA ASP D 162 -22.739 29.264 -2.737 1.00 52.05 C +ATOM 4212 C ASP D 162 -23.423 30.625 -2.602 1.00 52.64 C +ATOM 4213 O ASP D 162 -22.952 31.625 -3.162 1.00 51.94 O +ATOM 4214 CB ASP D 162 -21.556 29.124 -1.759 1.00 54.63 C +ATOM 4215 CG ASP D 162 -21.236 27.659 -1.424 1.00 60.83 C +ATOM 4216 OD1 ASP D 162 -22.178 26.827 -1.353 1.00 64.70 O +ATOM 4217 OD2 ASP D 162 -20.046 27.333 -1.219 1.00 63.17 O +ATOM 4218 N LYS D 163 -24.559 30.634 -1.906 1.00 51.38 N +ATOM 4219 CA LYS D 163 -25.350 31.844 -1.708 1.00 50.13 C +ATOM 4220 C LYS D 163 -24.562 33.057 -1.206 1.00 49.01 C +ATOM 4221 O LYS D 163 -23.632 32.922 -0.412 1.00 52.16 O +ATOM 4222 CB LYS D 163 -26.533 31.551 -0.778 1.00 45.56 C +ATOM 4223 N THR D 164 -24.915 34.232 -1.724 1.00 48.52 N +ATOM 4224 CA THR D 164 -24.301 35.495 -1.329 1.00 46.88 C +ATOM 4225 C THR D 164 -25.408 36.529 -1.167 1.00 44.46 C +ATOM 4226 O THR D 164 -26.560 36.294 -1.520 1.00 46.08 O +ATOM 4227 CB THR D 164 -23.265 36.031 -2.366 1.00 49.98 C +ATOM 4228 OG1 THR D 164 -23.914 36.323 -3.611 1.00 53.10 O +ATOM 4229 CG2 THR D 164 -22.145 35.033 -2.588 1.00 53.67 C +ATOM 4230 N VAL D 165 -25.040 37.700 -0.681 1.00 44.27 N +ATOM 4231 CA VAL D 165 -26.010 38.753 -0.457 1.00 42.04 C +ATOM 4232 C VAL D 165 -25.596 40.038 -1.174 1.00 39.80 C +ATOM 4233 O VAL D 165 -24.454 40.465 -1.026 1.00 40.25 O +ATOM 4234 CB VAL D 165 -26.092 39.051 1.052 1.00 40.17 C +ATOM 4235 CG1 VAL D 165 -27.257 39.979 1.347 1.00 42.10 C +ATOM 4236 CG2 VAL D 165 -26.210 37.759 1.837 1.00 37.73 C +ATOM 4237 N LEU D 166 -26.504 40.644 -1.948 1.00 36.12 N +ATOM 4238 CA LEU D 166 -26.212 41.913 -2.634 1.00 35.16 C +ATOM 4239 C LEU D 166 -27.038 43.084 -2.093 1.00 34.88 C +ATOM 4240 O LEU D 166 -28.250 42.984 -1.896 1.00 32.93 O +ATOM 4241 CB LEU D 166 -26.353 41.795 -4.163 1.00 39.17 C +ATOM 4242 CG LEU D 166 -27.658 41.839 -4.958 1.00 36.92 C +ATOM 4243 CD1 LEU D 166 -28.226 43.250 -5.005 1.00 34.01 C +ATOM 4244 CD2 LEU D 166 -27.337 41.367 -6.368 1.00 42.72 C +ATOM 4245 N ASP D 167 -26.363 44.201 -1.886 1.00 37.14 N +ATOM 4246 CA ASP D 167 -26.974 45.383 -1.343 1.00 43.19 C +ATOM 4247 C ASP D 167 -27.144 46.541 -2.331 1.00 46.77 C +ATOM 4248 O ASP D 167 -26.345 46.735 -3.243 1.00 48.39 O +ATOM 4249 CB ASP D 167 -26.134 45.795 -0.130 1.00 52.35 C +ATOM 4250 CG ASP D 167 -26.735 46.939 0.647 1.00 63.33 C +ATOM 4251 OD1 ASP D 167 -27.883 46.806 1.123 1.00 63.47 O +ATOM 4252 OD2 ASP D 167 -26.031 47.958 0.798 1.00 73.27 O +ATOM 4253 N MET D 168 -28.218 47.308 -2.162 1.00 51.15 N +ATOM 4254 CA MET D 168 -28.551 48.450 -3.007 1.00 55.32 C +ATOM 4255 C MET D 168 -28.832 49.684 -2.187 1.00 61.27 C +ATOM 4256 O MET D 168 -29.685 49.691 -1.305 1.00 64.15 O +ATOM 4257 CB MET D 168 -29.773 48.106 -3.875 1.00 52.39 C +ATOM 4258 CG MET D 168 -29.570 46.874 -4.787 1.00 51.76 C +ATOM 4259 SD MET D 168 -31.012 46.128 -5.693 1.00 48.79 S +ATOM 4260 CE MET D 168 -31.373 47.321 -6.975 1.00 51.56 C +ATOM 4261 N ARG D 169 -28.292 50.820 -2.623 1.00 68.83 N +ATOM 4262 CA ARG D 169 -28.423 52.046 -1.865 1.00 77.57 C +ATOM 4263 C ARG D 169 -29.683 52.923 -1.972 1.00 84.12 C +ATOM 4264 O ARG D 169 -29.593 54.047 -2.442 1.00 87.01 O +ATOM 4265 CB ARG D 169 -27.187 52.857 -2.068 1.00 77.60 C +ATOM 4266 N PHE D 173 -32.166 47.924 -0.855 1.00 50.31 N +ATOM 4267 CA PHE D 173 -32.683 46.550 -1.071 1.00 43.92 C +ATOM 4268 C PHE D 173 -31.570 45.546 -0.859 1.00 41.57 C +ATOM 4269 O PHE D 173 -30.449 45.751 -1.303 1.00 43.03 O +ATOM 4270 CB PHE D 173 -33.192 46.412 -2.503 1.00 48.64 C +ATOM 4271 CG PHE D 173 -33.940 45.152 -2.755 1.00 52.10 C +ATOM 4272 CD1 PHE D 173 -35.282 45.073 -2.426 1.00 56.08 C +ATOM 4273 CD2 PHE D 173 -33.311 44.044 -3.309 1.00 53.88 C +ATOM 4274 CE1 PHE D 173 -35.996 43.913 -2.639 1.00 61.95 C +ATOM 4275 CE2 PHE D 173 -34.013 42.876 -3.530 1.00 57.32 C +ATOM 4276 CZ PHE D 173 -35.360 42.806 -3.195 1.00 61.53 C +ATOM 4277 N LYS D 174 -31.887 44.465 -0.175 1.00 37.62 N +ATOM 4278 CA LYS D 174 -30.924 43.414 0.050 1.00 35.95 C +ATOM 4279 C LYS D 174 -31.560 42.163 -0.523 1.00 38.43 C +ATOM 4280 O LYS D 174 -32.765 41.938 -0.323 1.00 36.33 O +ATOM 4281 CB LYS D 174 -30.669 43.227 1.539 1.00 35.55 C +ATOM 4282 CG LYS D 174 -29.821 44.304 2.144 1.00 36.99 C +ATOM 4283 CD LYS D 174 -29.064 43.774 3.350 1.00 33.69 C +ATOM 4284 CE LYS D 174 -27.996 44.774 3.770 1.00 39.27 C +ATOM 4285 NZ LYS D 174 -26.855 44.149 4.475 1.00 32.91 N +ATOM 4286 N SER D 175 -30.797 41.402 -1.307 1.00 38.43 N +ATOM 4287 CA SER D 175 -31.305 40.153 -1.888 1.00 33.76 C +ATOM 4288 C SER D 175 -30.330 38.966 -1.790 1.00 29.98 C +ATOM 4289 O SER D 175 -29.106 39.141 -1.718 1.00 23.43 O +ATOM 4290 CB SER D 175 -31.735 40.369 -3.335 1.00 32.87 C +ATOM 4291 OG SER D 175 -30.692 40.962 -4.090 1.00 50.52 O +ATOM 4292 N ASN D 176 -30.897 37.762 -1.752 1.00 36.06 N +ATOM 4293 CA ASN D 176 -30.119 36.520 -1.660 1.00 42.68 C +ATOM 4294 C ASN D 176 -30.126 35.839 -3.024 1.00 44.84 C +ATOM 4295 O ASN D 176 -31.207 35.629 -3.603 1.00 44.50 O +ATOM 4296 CB ASN D 176 -30.746 35.568 -0.632 1.00 48.45 C +ATOM 4297 CG ASN D 176 -30.317 35.862 0.794 1.00 53.33 C +ATOM 4298 OD1 ASN D 176 -29.127 36.046 1.075 1.00 58.07 O +ATOM 4299 ND2 ASN D 176 -31.278 35.859 1.711 1.00 47.24 N +ATOM 4300 N SER D 177 -28.944 35.465 -3.519 1.00 43.21 N +ATOM 4301 CA SER D 177 -28.827 34.826 -4.827 1.00 38.91 C +ATOM 4302 C SER D 177 -27.806 33.683 -4.901 1.00 36.51 C +ATOM 4303 O SER D 177 -26.813 33.674 -4.184 1.00 38.37 O +ATOM 4304 CB SER D 177 -28.532 35.897 -5.893 1.00 38.53 C +ATOM 4305 OG SER D 177 -27.695 36.941 -5.393 1.00 43.60 O +ATOM 4306 N ALA D 178 -28.084 32.699 -5.748 1.00 33.63 N +ATOM 4307 CA ALA D 178 -27.197 31.550 -5.962 1.00 30.68 C +ATOM 4308 C ALA D 178 -27.385 31.219 -7.430 1.00 28.28 C +ATOM 4309 O ALA D 178 -28.511 31.250 -7.912 1.00 30.80 O +ATOM 4310 CB ALA D 178 -27.624 30.380 -5.101 1.00 25.43 C +ATOM 4311 N VAL D 179 -26.304 30.974 -8.159 1.00 32.17 N +ATOM 4312 CA VAL D 179 -26.424 30.679 -9.593 1.00 39.76 C +ATOM 4313 C VAL D 179 -26.153 29.213 -9.987 1.00 40.90 C +ATOM 4314 O VAL D 179 -25.279 28.559 -9.414 1.00 41.39 O +ATOM 4315 CB VAL D 179 -25.521 31.627 -10.441 1.00 39.55 C +ATOM 4316 CG1 VAL D 179 -25.622 31.268 -11.898 1.00 43.06 C +ATOM 4317 CG2 VAL D 179 -25.926 33.091 -10.252 1.00 36.85 C +ATOM 4318 N ALA D 180 -26.907 28.716 -10.970 1.00 42.60 N +ATOM 4319 CA ALA D 180 -26.769 27.347 -11.476 1.00 43.08 C +ATOM 4320 C ALA D 180 -26.621 27.279 -13.013 1.00 45.56 C +ATOM 4321 O ALA D 180 -27.407 27.867 -13.757 1.00 42.61 O +ATOM 4322 CB ALA D 180 -27.955 26.505 -11.038 1.00 37.83 C +ATOM 4323 N TRP D 181 -25.613 26.550 -13.482 1.00 48.44 N +ATOM 4324 CA TRP D 181 -25.374 26.382 -14.919 1.00 49.79 C +ATOM 4325 C TRP D 181 -24.743 25.015 -15.218 1.00 52.29 C +ATOM 4326 O TRP D 181 -24.040 24.438 -14.383 1.00 50.64 O +ATOM 4327 CB TRP D 181 -24.472 27.496 -15.462 1.00 48.77 C +ATOM 4328 CG TRP D 181 -23.032 27.345 -15.103 1.00 41.62 C +ATOM 4329 CD1 TRP D 181 -22.085 26.669 -15.815 1.00 45.22 C +ATOM 4330 CD2 TRP D 181 -22.371 27.868 -13.953 1.00 44.06 C +ATOM 4331 NE1 TRP D 181 -20.877 26.737 -15.172 1.00 47.99 N +ATOM 4332 CE2 TRP D 181 -21.017 27.470 -14.028 1.00 48.59 C +ATOM 4333 CE3 TRP D 181 -22.790 28.641 -12.855 1.00 46.73 C +ATOM 4334 CZ2 TRP D 181 -20.076 27.816 -13.048 1.00 48.93 C +ATOM 4335 CZ3 TRP D 181 -21.852 28.985 -11.879 1.00 47.38 C +ATOM 4336 CH2 TRP D 181 -20.510 28.572 -11.984 1.00 48.31 C +ATOM 4337 N SER D 182 -24.959 24.523 -16.430 1.00 57.61 N +ATOM 4338 CA SER D 182 -24.423 23.235 -16.852 1.00 62.28 C +ATOM 4339 C SER D 182 -24.485 23.189 -18.365 1.00 69.51 C +ATOM 4340 O SER D 182 -25.449 23.678 -18.963 1.00 74.34 O +ATOM 4341 CB SER D 182 -25.278 22.100 -16.279 1.00 57.83 C +ATOM 4342 OG SER D 182 -24.935 20.840 -16.832 1.00 51.05 O +ATOM 4343 N ASN D 183 -23.446 22.648 -18.991 1.00 74.45 N +ATOM 4344 CA ASN D 183 -23.451 22.532 -20.441 1.00 77.22 C +ATOM 4345 C ASN D 183 -24.020 21.173 -20.801 1.00 78.05 C +ATOM 4346 O ASN D 183 -23.341 20.337 -21.392 1.00 75.90 O +ATOM 4347 CB ASN D 183 -22.062 22.749 -21.069 1.00 78.72 C +ATOM 4348 CG ASN D 183 -20.945 22.109 -20.276 1.00 81.68 C +ATOM 4349 OD1 ASN D 183 -19.868 22.688 -20.136 1.00 81.25 O +ATOM 4350 ND2 ASN D 183 -21.188 20.917 -19.751 1.00 85.61 N +ATOM 4351 N LYS D 184 -25.254 20.943 -20.366 1.00 82.31 N +ATOM 4352 CA LYS D 184 -25.947 19.704 -20.654 1.00 89.58 C +ATOM 4353 C LYS D 184 -27.076 19.992 -21.635 1.00 93.65 C +ATOM 4354 O LYS D 184 -27.355 21.157 -21.917 1.00 97.52 O +ATOM 4355 CB LYS D 184 -26.418 19.014 -19.372 1.00 89.90 C +ATOM 4356 CG LYS D 184 -25.305 18.175 -18.755 1.00 91.28 C +ATOM 4357 CD LYS D 184 -25.813 17.322 -17.629 1.00 96.76 C +ATOM 4358 CE LYS D 184 -24.983 16.061 -17.482 1.00 99.09 C +ATOM 4359 NZ LYS D 184 -25.551 15.211 -16.392 1.00 99.99 N +ATOM 4360 N SER D 185 -27.755 18.948 -22.115 1.00 96.10 N +ATOM 4361 CA SER D 185 -28.809 19.070 -23.134 1.00 97.68 C +ATOM 4362 C SER D 185 -30.073 19.787 -22.664 1.00 99.70 C +ATOM 4363 O SER D 185 -30.337 20.928 -23.065 1.00100.00 O +ATOM 4364 CB SER D 185 -29.148 17.691 -23.726 1.00 97.78 C +ATOM 4365 N ASP D 186 -30.849 19.125 -21.805 1.00 99.91 N +ATOM 4366 CA ASP D 186 -32.106 19.671 -21.279 1.00 99.98 C +ATOM 4367 C ASP D 186 -32.085 19.975 -19.783 1.00 99.53 C +ATOM 4368 O ASP D 186 -33.094 19.825 -19.083 1.00100.00 O +ATOM 4369 CB ASP D 186 -33.323 18.777 -21.649 1.00100.00 C +ATOM 4370 N PHE D 187 -30.896 20.286 -19.264 1.00 95.55 N +ATOM 4371 CA PHE D 187 -30.737 20.647 -17.853 1.00 88.61 C +ATOM 4372 C PHE D 187 -31.633 21.869 -17.881 1.00 85.15 C +ATOM 4373 O PHE D 187 -31.536 22.666 -18.811 1.00 88.50 O +ATOM 4374 CB PHE D 187 -29.284 21.056 -17.575 1.00 88.19 C +ATOM 4375 CG PHE D 187 -29.130 22.327 -16.736 1.00 88.69 C +ATOM 4376 CD1 PHE D 187 -29.482 23.577 -17.251 1.00 91.19 C +ATOM 4377 CD2 PHE D 187 -28.585 22.275 -15.457 1.00 90.75 C +ATOM 4378 CE1 PHE D 187 -29.308 24.737 -16.524 1.00 93.48 C +ATOM 4379 CE2 PHE D 187 -28.401 23.450 -14.708 1.00 92.07 C +ATOM 4380 CZ PHE D 187 -28.757 24.676 -15.241 1.00 95.50 C +ATOM 4381 N ALA D 188 -32.493 22.026 -16.900 1.00 79.00 N +ATOM 4382 CA ALA D 188 -33.401 23.156 -16.879 1.00 73.74 C +ATOM 4383 C ALA D 188 -33.474 23.715 -15.502 1.00 71.47 C +ATOM 4384 O ALA D 188 -33.297 22.982 -14.532 1.00 66.77 O +ATOM 4385 CB ALA D 188 -34.790 22.769 -17.402 1.00 77.69 C +ATOM 4386 N CYS D 189 -33.645 25.029 -15.424 1.00 72.83 N +ATOM 4387 CA CYS D 189 -33.776 25.720 -14.155 1.00 75.94 C +ATOM 4388 C CYS D 189 -34.670 24.924 -13.219 1.00 79.23 C +ATOM 4389 O CYS D 189 -34.296 24.630 -12.070 1.00 79.10 O +ATOM 4390 CB CYS D 189 -34.301 27.153 -14.350 1.00 69.93 C +ATOM 4391 SG CYS D 189 -33.020 28.229 -15.050 1.00 65.49 S +ATOM 4392 N ALA D 190 -35.784 24.462 -13.779 1.00 80.24 N +ATOM 4393 CA ALA D 190 -36.768 23.677 -13.050 1.00 80.12 C +ATOM 4394 C ALA D 190 -36.116 22.755 -12.015 1.00 80.70 C +ATOM 4395 O ALA D 190 -36.402 22.869 -10.825 1.00 80.38 O +ATOM 4396 CB ALA D 190 -37.607 22.858 -14.044 1.00 80.34 C +ATOM 4397 N ASN D 191 -35.221 21.877 -12.470 1.00 82.13 N +ATOM 4398 CA ASN D 191 -34.532 20.946 -11.586 1.00 82.63 C +ATOM 4399 C ASN D 191 -33.326 21.571 -10.897 1.00 83.43 C +ATOM 4400 O ASN D 191 -33.149 21.396 -9.699 1.00 88.93 O +ATOM 4401 CB ASN D 191 -34.106 19.715 -12.353 1.00 82.43 C +ATOM 4402 N ALA D 192 -32.497 22.276 -11.663 1.00 81.09 N +ATOM 4403 CA ALA D 192 -31.287 22.937 -11.160 1.00 77.91 C +ATOM 4404 C ALA D 192 -31.019 22.894 -9.653 1.00 78.40 C +ATOM 4405 O ALA D 192 -30.212 22.081 -9.191 1.00 80.50 O +ATOM 4406 CB ALA D 192 -31.232 24.360 -11.673 1.00 74.99 C +ATOM 4407 N PHE D 193 -31.720 23.738 -8.899 1.00 78.94 N +ATOM 4408 CA PHE D 193 -31.566 23.798 -7.457 1.00 78.98 C +ATOM 4409 C PHE D 193 -32.434 22.782 -6.738 1.00 79.32 C +ATOM 4410 O PHE D 193 -33.446 23.140 -6.135 1.00 78.70 O +ATOM 4411 CB PHE D 193 -31.876 25.213 -6.920 1.00 78.59 C +ATOM 4412 CG PHE D 193 -31.071 26.310 -7.563 1.00 78.05 C +ATOM 4413 CD1 PHE D 193 -31.487 26.886 -8.766 1.00 77.93 C +ATOM 4414 CD2 PHE D 193 -29.880 26.747 -6.991 1.00 74.62 C +ATOM 4415 CE1 PHE D 193 -30.725 27.870 -9.391 1.00 71.69 C +ATOM 4416 CE2 PHE D 193 -29.113 27.728 -7.605 1.00 70.78 C +ATOM 4417 CZ PHE D 193 -29.536 28.288 -8.808 1.00 73.94 C +ATOM 4418 N ASN D 194 -32.046 21.518 -6.857 1.00 82.55 N +ATOM 4419 CA ASN D 194 -32.739 20.441 -6.208 1.00 83.64 C +ATOM 4420 C ASN D 194 -32.038 20.164 -4.856 1.00 84.70 C +ATOM 4421 O ASN D 194 -30.901 19.756 -4.817 1.00 84.31 O +ATOM 4422 CB ASN D 194 -32.769 19.183 -7.107 1.00 81.53 C +ATOM 4423 N ASN D 195 -32.737 20.555 -3.805 1.00 84.45 N +ATOM 4424 CA ASN D 195 -32.452 20.462 -2.334 1.00 81.06 C +ATOM 4425 C ASN D 195 -32.842 21.824 -1.670 1.00 80.91 C +ATOM 4426 O ASN D 195 -32.434 22.901 -2.138 1.00 74.80 O +ATOM 4427 CB ASN D 195 -30.972 20.270 -1.948 1.00 77.97 C +ATOM 4428 CG ASN D 195 -30.252 19.107 -2.665 1.00 73.56 C +ATOM 4429 OD1 ASN D 195 -30.674 17.935 -2.666 1.00 78.93 O +ATOM 4430 ND2 ASN D 195 -29.120 19.426 -3.275 1.00 72.56 N +ATOM 4431 N SER D 196 -33.791 21.760 -0.733 1.00 86.15 N +ATOM 4432 CA SER D 196 -34.333 22.876 0.115 1.00 90.82 C +ATOM 4433 C SER D 196 -34.782 24.271 -0.388 1.00 93.03 C +ATOM 4434 O SER D 196 -34.019 25.229 -0.298 1.00 97.67 O +ATOM 4435 CB SER D 196 -33.441 23.095 1.369 1.00 92.60 C +ATOM 4436 OG SER D 196 -32.269 23.862 1.110 1.00 93.13 O +ATOM 4437 N ILE D 197 -36.066 24.417 -0.726 1.00 93.52 N +ATOM 4438 CA ILE D 197 -36.636 25.682 -1.234 1.00 91.13 C +ATOM 4439 C ILE D 197 -38.173 25.660 -1.329 1.00 92.27 C +ATOM 4440 O ILE D 197 -38.812 24.648 -1.041 1.00 92.84 O +ATOM 4441 CB ILE D 197 -36.165 26.006 -2.701 1.00 89.63 C +ATOM 4442 CG1 ILE D 197 -36.731 24.983 -3.701 1.00 87.35 C +ATOM 4443 CG2 ILE D 197 -34.656 26.056 -2.833 1.00 83.45 C +ATOM 4444 CD1 ILE D 197 -36.275 23.544 -3.488 1.00 87.71 C +ATOM 4445 N ILE D 198 -38.762 26.801 -1.678 1.00 92.29 N +ATOM 4446 CA ILE D 198 -40.201 26.885 -1.938 1.00 94.21 C +ATOM 4447 C ILE D 198 -40.501 28.043 -2.904 1.00 97.08 C +ATOM 4448 O ILE D 198 -39.765 29.034 -2.931 1.00 98.58 O +ATOM 4449 CB ILE D 198 -41.101 27.109 -0.685 1.00 93.14 C +ATOM 4450 CG1 ILE D 198 -41.249 25.844 0.169 1.00 93.17 C +ATOM 4451 CG2 ILE D 198 -42.527 27.456 -1.133 1.00 87.92 C +ATOM 4452 CD1 ILE D 198 -42.482 25.918 1.163 1.00 94.58 C +ATOM 4453 N PRO D 199 -41.516 27.836 -3.746 1.00 97.56 N +ATOM 4454 CA PRO D 199 -42.060 28.829 -4.687 1.00 93.12 C +ATOM 4455 C PRO D 199 -41.326 29.458 -5.885 1.00 87.54 C +ATOM 4456 O PRO D 199 -40.127 29.308 -6.085 1.00 85.19 O +ATOM 4457 CB PRO D 199 -42.820 29.937 -3.893 1.00 91.11 C +ATOM 4458 N GLU D 200 -42.175 30.077 -6.703 1.00 82.44 N +ATOM 4459 CA GLU D 200 -41.880 30.802 -7.937 1.00 79.45 C +ATOM 4460 C GLU D 200 -40.942 30.244 -8.992 1.00 79.68 C +ATOM 4461 O GLU D 200 -39.829 30.715 -9.211 1.00 79.21 O +ATOM 4462 CB GLU D 200 -41.622 32.281 -7.673 1.00 76.70 C +ATOM 4463 CG GLU D 200 -41.372 33.150 -8.940 1.00 77.64 C +ATOM 4464 CD GLU D 200 -42.474 33.111 -10.018 1.00 78.52 C +ATOM 4465 OE1 GLU D 200 -43.504 32.419 -9.859 1.00 83.79 O +ATOM 4466 OE2 GLU D 200 -42.298 33.789 -11.055 1.00 73.95 O +ATOM 4467 N ASP D 201 -41.460 29.256 -9.699 1.00 80.39 N +ATOM 4468 CA ASP D 201 -40.713 28.665 -10.783 1.00 77.70 C +ATOM 4469 C ASP D 201 -41.437 29.242 -11.972 1.00 75.24 C +ATOM 4470 O ASP D 201 -42.552 28.845 -12.309 1.00 72.22 O +ATOM 4471 CB ASP D 201 -40.762 27.145 -10.741 1.00 82.30 C +ATOM 4472 CG ASP D 201 -39.673 26.538 -9.852 1.00 85.43 C +ATOM 4473 OD1 ASP D 201 -38.734 27.240 -9.398 1.00 85.58 O +ATOM 4474 OD2 ASP D 201 -39.741 25.312 -9.614 1.00 90.95 O +ATOM 4475 N THR D 202 -40.864 30.335 -12.437 1.00 77.86 N +ATOM 4476 CA THR D 202 -41.356 31.073 -13.568 1.00 83.31 C +ATOM 4477 C THR D 202 -41.613 30.093 -14.729 1.00 86.51 C +ATOM 4478 O THR D 202 -41.253 28.918 -14.629 1.00 87.78 O +ATOM 4479 CB THR D 202 -40.323 32.184 -13.889 1.00 86.26 C +ATOM 4480 OG1 THR D 202 -40.989 33.439 -14.087 1.00 89.59 O +ATOM 4481 CG2 THR D 202 -39.459 31.828 -15.088 1.00 93.35 C +ATOM 4482 N PHE D 203 -42.221 30.569 -15.816 1.00 91.98 N +ATOM 4483 CA PHE D 203 -42.578 29.735 -16.976 1.00 96.33 C +ATOM 4484 C PHE D 203 -41.585 29.867 -18.147 1.00 97.91 C +ATOM 4485 O PHE D 203 -41.571 30.932 -18.798 1.00 99.48 O +ATOM 4486 CB PHE D 203 -44.009 30.068 -17.460 1.00 97.85 C +ATOM 4487 CG PHE D 203 -44.935 30.548 -16.366 1.00 99.98 C +ATOM 4488 CD1 PHE D 203 -44.901 31.886 -15.942 1.00 99.99 C +ATOM 4489 CD2 PHE D 203 -45.802 29.658 -15.715 1.00 99.96 C +ATOM 4490 CE1 PHE D 203 -45.708 32.335 -14.888 1.00 99.98 C +ATOM 4491 CE2 PHE D 203 -46.619 30.092 -14.655 1.00 99.96 C +ATOM 4492 CZ PHE D 203 -46.566 31.438 -14.237 1.00100.00 C +TER 4493 PHE D 203 +ATOM 4494 N GLY E 3 2.020 51.339 6.101 1.00 47.87 N +ATOM 4495 CA GLY E 3 1.624 49.969 6.579 1.00 41.06 C +ATOM 4496 C GLY E 3 2.588 48.900 6.095 1.00 37.31 C +ATOM 4497 O GLY E 3 3.743 49.209 5.795 1.00 37.42 O +ATOM 4498 N VAL E 4 2.137 47.645 6.087 1.00 34.49 N +ATOM 4499 CA VAL E 4 2.953 46.532 5.607 1.00 36.27 C +ATOM 4500 C VAL E 4 2.482 46.156 4.203 1.00 39.12 C +ATOM 4501 O VAL E 4 1.310 45.798 3.979 1.00 42.39 O +ATOM 4502 CB VAL E 4 2.913 45.300 6.565 1.00 36.43 C +ATOM 4503 CG1 VAL E 4 1.530 45.083 7.076 1.00 47.49 C +ATOM 4504 CG2 VAL E 4 3.416 44.038 5.860 1.00 31.82 C +ATOM 4505 N THR E 5 3.392 46.313 3.252 1.00 33.65 N +ATOM 4506 CA THR E 5 3.120 46.021 1.864 1.00 28.54 C +ATOM 4507 C THR E 5 3.846 44.753 1.466 1.00 26.46 C +ATOM 4508 O THR E 5 4.912 44.452 1.980 1.00 31.52 O +ATOM 4509 CB THR E 5 3.603 47.195 0.961 1.00 26.70 C +ATOM 4510 OG1 THR E 5 4.944 47.550 1.305 1.00 33.36 O +ATOM 4511 CG2 THR E 5 2.746 48.425 1.165 1.00 24.23 C +ATOM 4512 N GLN E 6 3.252 43.995 0.565 1.00 32.48 N +ATOM 4513 CA GLN E 6 3.870 42.774 0.070 1.00 34.86 C +ATOM 4514 C GLN E 6 3.490 42.530 -1.396 1.00 33.68 C +ATOM 4515 O GLN E 6 2.324 42.658 -1.801 1.00 33.27 O +ATOM 4516 CB GLN E 6 3.565 41.558 0.968 1.00 35.76 C +ATOM 4517 CG GLN E 6 2.110 41.317 1.278 1.00 38.60 C +ATOM 4518 CD GLN E 6 1.876 40.067 2.115 1.00 37.51 C +ATOM 4519 OE1 GLN E 6 2.180 38.947 1.695 1.00 36.33 O +ATOM 4520 NE2 GLN E 6 1.297 40.255 3.296 1.00 39.94 N +ATOM 4521 N THR E 7 4.514 42.265 -2.194 1.00 30.54 N +ATOM 4522 CA THR E 7 4.371 42.029 -3.618 1.00 31.35 C +ATOM 4523 C THR E 7 4.974 40.660 -3.923 1.00 30.49 C +ATOM 4524 O THR E 7 5.885 40.213 -3.217 1.00 31.63 O +ATOM 4525 CB THR E 7 5.121 43.142 -4.410 1.00 32.77 C +ATOM 4526 OG1 THR E 7 6.464 43.277 -3.914 1.00 33.34 O +ATOM 4527 CG2 THR E 7 4.401 44.493 -4.271 1.00 24.69 C +ATOM 4528 N PRO E 8 4.449 39.949 -4.939 1.00 31.28 N +ATOM 4529 CA PRO E 8 3.343 40.279 -5.843 1.00 27.42 C +ATOM 4530 C PRO E 8 2.054 39.895 -5.152 1.00 25.04 C +ATOM 4531 O PRO E 8 2.094 39.300 -4.088 1.00 33.76 O +ATOM 4532 CB PRO E 8 3.561 39.325 -7.025 1.00 27.26 C +ATOM 4533 CG PRO E 8 4.847 38.610 -6.748 1.00 32.53 C +ATOM 4534 CD PRO E 8 4.959 38.613 -5.264 1.00 32.51 C +ATOM 4535 N LYS E 9 0.925 40.165 -5.799 1.00 20.91 N +ATOM 4536 CA LYS E 9 -0.387 39.845 -5.266 1.00 17.03 C +ATOM 4537 C LYS E 9 -0.740 38.403 -5.621 1.00 22.18 C +ATOM 4538 O LYS E 9 -1.347 37.691 -4.825 1.00 24.72 O +ATOM 4539 CB LYS E 9 -1.427 40.795 -5.862 1.00 25.54 C +ATOM 4540 CG LYS E 9 -2.466 41.260 -4.875 1.00 44.10 C +ATOM 4541 CD LYS E 9 -3.305 42.413 -5.418 1.00 56.55 C +ATOM 4542 CE LYS E 9 -3.978 43.171 -4.256 1.00 65.84 C +ATOM 4543 NZ LYS E 9 -5.032 44.156 -4.669 1.00 68.83 N +ATOM 4544 N PHE E 10 -0.422 38.016 -6.859 1.00 26.62 N +ATOM 4545 CA PHE E 10 -0.669 36.673 -7.392 1.00 19.93 C +ATOM 4546 C PHE E 10 0.601 36.203 -8.082 1.00 22.16 C +ATOM 4547 O PHE E 10 1.330 36.992 -8.689 1.00 22.18 O +ATOM 4548 CB PHE E 10 -1.790 36.669 -8.426 1.00 13.53 C +ATOM 4549 CG PHE E 10 -3.091 37.197 -7.923 1.00 8.08 C +ATOM 4550 CD1 PHE E 10 -3.976 36.379 -7.245 1.00 11.66 C +ATOM 4551 CD2 PHE E 10 -3.454 38.508 -8.171 1.00 9.21 C +ATOM 4552 CE1 PHE E 10 -5.208 36.859 -6.830 1.00 9.13 C +ATOM 4553 CE2 PHE E 10 -4.683 39.005 -7.760 1.00 6.89 C +ATOM 4554 CZ PHE E 10 -5.555 38.187 -7.096 1.00 8.37 C +ATOM 4555 N GLN E 11 0.827 34.900 -8.042 1.00 24.35 N +ATOM 4556 CA GLN E 11 2.006 34.321 -8.651 1.00 24.38 C +ATOM 4557 C GLN E 11 1.692 32.880 -9.051 1.00 26.85 C +ATOM 4558 O GLN E 11 0.893 32.215 -8.382 1.00 21.51 O +ATOM 4559 CB GLN E 11 3.159 34.359 -7.638 1.00 26.21 C +ATOM 4560 CG GLN E 11 4.521 34.017 -8.198 1.00 29.65 C +ATOM 4561 CD GLN E 11 4.896 34.875 -9.399 1.00 35.28 C +ATOM 4562 OE1 GLN E 11 5.027 34.377 -10.514 1.00 35.47 O +ATOM 4563 NE2 GLN E 11 5.060 36.170 -9.176 1.00 41.42 N +ATOM 4564 N VAL E 12 2.230 32.452 -10.199 1.00 29.01 N +ATOM 4565 CA VAL E 12 2.082 31.077 -10.694 1.00 26.20 C +ATOM 4566 C VAL E 12 3.489 30.591 -10.992 1.00 25.64 C +ATOM 4567 O VAL E 12 4.273 31.286 -11.628 1.00 29.93 O +ATOM 4568 CB VAL E 12 1.244 30.964 -11.971 1.00 24.30 C +ATOM 4569 CG1 VAL E 12 0.865 29.496 -12.206 1.00 19.51 C +ATOM 4570 CG2 VAL E 12 0.000 31.826 -11.853 1.00 30.57 C +ATOM 4571 N LEU E 13 3.816 29.409 -10.503 1.00 26.58 N +ATOM 4572 CA LEU E 13 5.140 28.849 -10.697 1.00 25.75 C +ATOM 4573 C LEU E 13 4.964 27.413 -11.109 1.00 26.55 C +ATOM 4574 O LEU E 13 3.908 26.816 -10.882 1.00 28.59 O +ATOM 4575 CB LEU E 13 5.932 28.851 -9.383 1.00 28.54 C +ATOM 4576 CG LEU E 13 6.431 30.104 -8.670 1.00 30.03 C +ATOM 4577 CD1 LEU E 13 7.109 29.710 -7.376 1.00 22.95 C +ATOM 4578 CD2 LEU E 13 7.404 30.843 -9.562 1.00 31.90 C +ATOM 4579 N LYS E 14 6.020 26.851 -11.672 1.00 27.30 N +ATOM 4580 CA LYS E 14 6.023 25.463 -12.094 1.00 32.11 C +ATOM 4581 C LYS E 14 6.997 24.795 -11.136 1.00 26.74 C +ATOM 4582 O LYS E 14 8.026 25.390 -10.785 1.00 21.53 O +ATOM 4583 CB LYS E 14 6.523 25.358 -13.547 1.00 41.09 C +ATOM 4584 CG LYS E 14 7.209 24.040 -13.880 1.00 53.46 C +ATOM 4585 CD LYS E 14 7.749 24.014 -15.300 1.00 58.65 C +ATOM 4586 CE LYS E 14 8.703 22.834 -15.499 1.00 60.90 C +ATOM 4587 NZ LYS E 14 9.051 22.624 -16.927 1.00 60.17 N +ATOM 4588 N THR E 15 6.663 23.593 -10.682 1.00 23.48 N +ATOM 4589 CA THR E 15 7.527 22.867 -9.767 1.00 28.27 C +ATOM 4590 C THR E 15 8.989 23.033 -10.180 1.00 30.64 C +ATOM 4591 O THR E 15 9.337 22.808 -11.340 1.00 38.36 O +ATOM 4592 CB THR E 15 7.157 21.383 -9.759 1.00 27.75 C +ATOM 4593 OG1 THR E 15 5.746 21.263 -9.558 1.00 29.80 O +ATOM 4594 CG2 THR E 15 7.864 20.654 -8.631 1.00 33.95 C +ATOM 4595 N GLY E 16 9.823 23.518 -9.263 1.00 33.09 N +ATOM 4596 CA GLY E 16 11.230 23.701 -9.582 1.00 30.35 C +ATOM 4597 C GLY E 16 11.694 25.144 -9.624 1.00 31.94 C +ATOM 4598 O GLY E 16 12.898 25.414 -9.502 1.00 32.13 O +ATOM 4599 N GLN E 17 10.763 26.073 -9.831 1.00 29.17 N +ATOM 4600 CA GLN E 17 11.112 27.489 -9.889 1.00 28.47 C +ATOM 4601 C GLN E 17 11.318 28.082 -8.509 1.00 28.67 C +ATOM 4602 O GLN E 17 10.648 27.718 -7.550 1.00 32.90 O +ATOM 4603 CB GLN E 17 10.007 28.285 -10.569 1.00 30.75 C +ATOM 4604 CG GLN E 17 10.089 28.406 -12.056 1.00 37.54 C +ATOM 4605 CD GLN E 17 8.911 29.195 -12.606 1.00 44.98 C +ATOM 4606 OE1 GLN E 17 7.761 28.782 -12.476 1.00 50.35 O +ATOM 4607 NE2 GLN E 17 9.189 30.346 -13.197 1.00 48.36 N +ATOM 4608 N SER E 18 12.243 29.015 -8.417 1.00 31.39 N +ATOM 4609 CA SER E 18 12.504 29.701 -7.172 1.00 35.34 C +ATOM 4610 C SER E 18 11.568 30.903 -7.207 1.00 38.13 C +ATOM 4611 O SER E 18 11.072 31.257 -8.272 1.00 38.91 O +ATOM 4612 CB SER E 18 13.955 30.161 -7.156 1.00 37.36 C +ATOM 4613 OG SER E 18 14.362 30.562 -8.460 1.00 46.50 O +ATOM 4614 N MET E 19 11.327 31.537 -6.065 1.00 39.17 N +ATOM 4615 CA MET E 19 10.446 32.698 -6.022 1.00 37.59 C +ATOM 4616 C MET E 19 10.720 33.407 -4.733 1.00 34.87 C +ATOM 4617 O MET E 19 11.033 32.750 -3.760 1.00 39.31 O +ATOM 4618 CB MET E 19 8.976 32.252 -6.017 1.00 44.04 C +ATOM 4619 CG MET E 19 7.960 33.398 -5.900 1.00 49.69 C +ATOM 4620 SD MET E 19 8.125 34.569 -7.280 1.00 64.10 S +ATOM 4621 CE MET E 19 7.774 36.137 -6.525 1.00 63.57 C +ATOM 4622 N THR E 20 10.714 34.734 -4.721 1.00 33.54 N +ATOM 4623 CA THR E 20 10.892 35.429 -3.446 1.00 36.38 C +ATOM 4624 C THR E 20 9.720 36.398 -3.241 1.00 35.33 C +ATOM 4625 O THR E 20 9.265 37.045 -4.195 1.00 32.90 O +ATOM 4626 CB THR E 20 12.330 36.075 -3.225 1.00 39.04 C +ATOM 4627 OG1 THR E 20 12.240 37.499 -3.073 1.00 42.95 O +ATOM 4628 CG2 THR E 20 13.302 35.711 -4.352 1.00 45.61 C +ATOM 4629 N LEU E 21 9.129 36.342 -2.045 1.00 30.32 N +ATOM 4630 CA LEU E 21 8.004 37.181 -1.677 1.00 22.30 C +ATOM 4631 C LEU E 21 8.564 38.373 -0.971 1.00 21.77 C +ATOM 4632 O LEU E 21 9.405 38.234 -0.090 1.00 24.65 O +ATOM 4633 CB LEU E 21 7.068 36.427 -0.755 1.00 24.41 C +ATOM 4634 CG LEU E 21 6.439 35.216 -1.431 1.00 26.10 C +ATOM 4635 CD1 LEU E 21 5.675 34.399 -0.424 1.00 38.16 C +ATOM 4636 CD2 LEU E 21 5.531 35.659 -2.544 1.00 27.46 C +ATOM 4637 N GLN E 22 8.147 39.552 -1.398 1.00 21.35 N +ATOM 4638 CA GLN E 22 8.644 40.765 -0.791 1.00 27.00 C +ATOM 4639 C GLN E 22 7.718 41.283 0.288 1.00 30.84 C +ATOM 4640 O GLN E 22 6.499 41.270 0.132 1.00 32.51 O +ATOM 4641 CB GLN E 22 8.873 41.832 -1.847 1.00 27.23 C +ATOM 4642 CG GLN E 22 9.836 41.404 -2.947 1.00 38.27 C +ATOM 4643 CD GLN E 22 11.194 40.957 -2.430 1.00 44.17 C +ATOM 4644 OE1 GLN E 22 11.440 40.949 -1.225 1.00 52.34 O +ATOM 4645 NE2 GLN E 22 12.088 40.584 -3.345 1.00 48.82 N +ATOM 4646 N CYS E 23 8.306 41.675 1.414 1.00 35.05 N +ATOM 4647 CA CYS E 23 7.547 42.224 2.533 1.00 31.69 C +ATOM 4648 C CYS E 23 8.250 43.453 3.039 1.00 26.11 C +ATOM 4649 O CYS E 23 9.427 43.400 3.414 1.00 22.37 O +ATOM 4650 CB CYS E 23 7.407 41.244 3.689 1.00 33.51 C +ATOM 4651 SG CYS E 23 6.406 41.988 5.013 1.00 34.59 S +ATOM 4652 N ALA E 24 7.530 44.563 3.016 1.00 23.01 N +ATOM 4653 CA ALA E 24 8.075 45.822 3.462 1.00 26.95 C +ATOM 4654 C ALA E 24 7.127 46.480 4.450 1.00 28.95 C +ATOM 4655 O ALA E 24 5.902 46.471 4.280 1.00 27.18 O +ATOM 4656 CB ALA E 24 8.332 46.728 2.282 1.00 22.23 C +ATOM 4657 N GLN E 25 7.710 47.004 5.521 1.00 30.51 N +ATOM 4658 CA GLN E 25 6.963 47.692 6.561 1.00 29.25 C +ATOM 4659 C GLN E 25 7.670 49.039 6.703 1.00 29.29 C +ATOM 4660 O GLN E 25 8.898 49.115 6.600 1.00 24.77 O +ATOM 4661 CB GLN E 25 6.961 46.825 7.841 1.00 27.45 C +ATOM 4662 CG GLN E 25 7.155 47.495 9.189 1.00 30.65 C +ATOM 4663 CD GLN E 25 8.612 47.607 9.564 1.00 29.06 C +ATOM 4664 OE1 GLN E 25 9.088 48.686 9.890 1.00 41.33 O +ATOM 4665 NE2 GLN E 25 9.329 46.503 9.500 1.00 33.30 N +ATOM 4666 N ASP E 26 6.887 50.109 6.805 1.00 32.32 N +ATOM 4667 CA ASP E 26 7.441 51.458 6.935 1.00 37.95 C +ATOM 4668 C ASP E 26 7.283 52.032 8.349 1.00 39.93 C +ATOM 4669 O ASP E 26 7.595 53.202 8.597 1.00 46.37 O +ATOM 4670 CB ASP E 26 6.761 52.381 5.930 1.00 33.84 C +ATOM 4671 N MET E 27 6.854 51.190 9.283 1.00 35.78 N +ATOM 4672 CA MET E 27 6.597 51.608 10.655 1.00 31.18 C +ATOM 4673 C MET E 27 7.736 51.434 11.645 1.00 31.03 C +ATOM 4674 O MET E 27 7.528 51.551 12.840 1.00 38.18 O +ATOM 4675 CB MET E 27 5.372 50.868 11.158 1.00 23.77 C +ATOM 4676 CG MET E 27 4.360 50.685 10.082 1.00 17.61 C +ATOM 4677 SD MET E 27 2.942 49.872 10.684 1.00 37.55 S +ATOM 4678 CE MET E 27 3.425 48.150 10.408 1.00 34.15 C +ATOM 4679 N ASN E 28 8.930 51.130 11.161 1.00 32.34 N +ATOM 4680 CA ASN E 28 10.075 50.944 12.034 1.00 29.08 C +ATOM 4681 C ASN E 28 9.768 49.902 13.094 1.00 29.72 C +ATOM 4682 O ASN E 28 10.060 50.083 14.265 1.00 38.27 O +ATOM 4683 CB ASN E 28 10.471 52.270 12.682 1.00 32.53 C +ATOM 4684 CG ASN E 28 11.418 53.086 11.817 1.00 35.37 C +ATOM 4685 OD1 ASN E 28 12.304 52.539 11.168 1.00 34.28 O +ATOM 4686 ND2 ASN E 28 11.231 54.402 11.806 1.00 38.98 N +ATOM 4687 N HIS E 29 9.081 48.848 12.689 1.00 30.59 N +ATOM 4688 CA HIS E 29 8.734 47.759 13.587 1.00 27.97 C +ATOM 4689 C HIS E 29 9.904 46.802 13.507 1.00 30.33 C +ATOM 4690 O HIS E 29 10.398 46.524 12.409 1.00 35.47 O +ATOM 4691 CB HIS E 29 7.447 47.077 13.119 1.00 29.82 C +ATOM 4692 CG HIS E 29 6.202 47.821 13.497 1.00 26.54 C +ATOM 4693 ND1 HIS E 29 4.940 47.368 13.183 1.00 27.01 N +ATOM 4694 CD2 HIS E 29 6.032 48.966 14.194 1.00 32.97 C +ATOM 4695 CE1 HIS E 29 4.041 48.205 13.675 1.00 25.82 C +ATOM 4696 NE2 HIS E 29 4.675 49.182 14.291 1.00 32.75 N +ATOM 4697 N GLU E 30 10.329 46.288 14.656 1.00 24.53 N +ATOM 4698 CA GLU E 30 11.475 45.390 14.725 1.00 20.61 C +ATOM 4699 C GLU E 30 11.210 43.914 14.436 1.00 20.76 C +ATOM 4700 O GLU E 30 12.118 43.185 14.025 1.00 22.12 O +ATOM 4701 CB GLU E 30 12.154 45.541 16.088 1.00 22.28 C +ATOM 4702 N TYR E 31 9.981 43.471 14.665 1.00 15.26 N +ATOM 4703 CA TYR E 31 9.640 42.075 14.475 1.00 13.36 C +ATOM 4704 C TYR E 31 8.735 41.900 13.283 1.00 18.65 C +ATOM 4705 O TYR E 31 7.743 42.614 13.133 1.00 19.76 O +ATOM 4706 CB TYR E 31 8.966 41.562 15.737 1.00 13.39 C +ATOM 4707 CG TYR E 31 8.471 40.155 15.679 1.00 9.37 C +ATOM 4708 CD1 TYR E 31 7.269 39.852 15.069 1.00 11.00 C +ATOM 4709 CD2 TYR E 31 9.177 39.128 16.282 1.00 9.39 C +ATOM 4710 CE1 TYR E 31 6.775 38.557 15.064 1.00 16.61 C +ATOM 4711 CE2 TYR E 31 8.691 37.821 16.284 1.00 11.87 C +ATOM 4712 CZ TYR E 31 7.487 37.540 15.675 1.00 16.90 C +ATOM 4713 OH TYR E 31 6.958 36.260 15.689 1.00 24.39 O +ATOM 4714 N MET E 32 9.073 40.922 12.451 1.00 25.17 N +ATOM 4715 CA MET E 32 8.317 40.617 11.236 1.00 22.64 C +ATOM 4716 C MET E 32 8.186 39.108 11.095 1.00 20.63 C +ATOM 4717 O MET E 32 9.103 38.367 11.447 1.00 20.63 O +ATOM 4718 CB MET E 32 9.024 41.219 10.026 1.00 23.96 C +ATOM 4719 CG MET E 32 9.041 42.740 10.029 1.00 21.27 C +ATOM 4720 SD MET E 32 10.094 43.406 8.740 1.00 25.67 S +ATOM 4721 CE MET E 32 8.877 43.567 7.409 1.00 8.90 C +ATOM 4722 N SER E 33 7.052 38.656 10.582 1.00 16.63 N +ATOM 4723 CA SER E 33 6.796 37.237 10.450 1.00 19.64 C +ATOM 4724 C SER E 33 6.107 36.832 9.148 1.00 18.58 C +ATOM 4725 O SER E 33 5.450 37.647 8.499 1.00 17.83 O +ATOM 4726 CB SER E 33 5.941 36.801 11.637 1.00 20.89 C +ATOM 4727 OG SER E 33 4.914 37.749 11.898 1.00 31.30 O +ATOM 4728 N TRP E 34 6.203 35.550 8.815 1.00 13.75 N +ATOM 4729 CA TRP E 34 5.588 35.027 7.611 1.00 13.80 C +ATOM 4730 C TRP E 34 4.667 33.854 7.920 1.00 14.44 C +ATOM 4731 O TRP E 34 5.107 32.849 8.451 1.00 20.57 O +ATOM 4732 CB TRP E 34 6.671 34.586 6.614 1.00 18.41 C +ATOM 4733 CG TRP E 34 7.118 35.674 5.644 1.00 18.10 C +ATOM 4734 CD1 TRP E 34 8.306 36.351 5.647 1.00 16.85 C +ATOM 4735 CD2 TRP E 34 6.376 36.173 4.507 1.00 15.13 C +ATOM 4736 NE1 TRP E 34 8.357 37.232 4.590 1.00 11.97 N +ATOM 4737 CE2 TRP E 34 7.183 37.141 3.878 1.00 12.25 C +ATOM 4738 CE3 TRP E 34 5.115 35.894 3.970 1.00 9.44 C +ATOM 4739 CZ2 TRP E 34 6.767 37.831 2.734 1.00 13.36 C +ATOM 4740 CZ3 TRP E 34 4.700 36.576 2.839 1.00 13.05 C +ATOM 4741 CH2 TRP E 34 5.524 37.533 2.233 1.00 7.12 C +ATOM 4742 N TYR E 35 3.401 33.974 7.546 1.00 17.00 N +ATOM 4743 CA TYR E 35 2.404 32.927 7.758 1.00 19.32 C +ATOM 4744 C TYR E 35 1.851 32.442 6.410 1.00 21.29 C +ATOM 4745 O TYR E 35 2.126 33.037 5.375 1.00 19.44 O +ATOM 4746 CB TYR E 35 1.214 33.471 8.575 1.00 24.74 C +ATOM 4747 CG TYR E 35 1.519 33.933 9.983 1.00 24.40 C +ATOM 4748 CD1 TYR E 35 1.996 35.218 10.222 1.00 20.62 C +ATOM 4749 CD2 TYR E 35 1.323 33.080 11.075 1.00 27.57 C +ATOM 4750 CE1 TYR E 35 2.274 35.647 11.508 1.00 29.45 C +ATOM 4751 CE2 TYR E 35 1.601 33.495 12.367 1.00 27.14 C +ATOM 4752 CZ TYR E 35 2.077 34.782 12.577 1.00 32.08 C +ATOM 4753 OH TYR E 35 2.382 35.203 13.851 1.00 35.96 O +ATOM 4754 N ARG E 36 1.039 31.389 6.450 1.00 19.91 N +ATOM 4755 CA ARG E 36 0.393 30.821 5.272 1.00 26.78 C +ATOM 4756 C ARG E 36 -0.929 30.191 5.687 1.00 30.02 C +ATOM 4757 O ARG E 36 -0.984 29.346 6.583 1.00 31.51 O +ATOM 4758 CB ARG E 36 1.272 29.776 4.566 1.00 32.64 C +ATOM 4759 CG ARG E 36 1.711 28.604 5.411 1.00 31.99 C +ATOM 4760 CD ARG E 36 2.381 27.556 4.550 1.00 36.57 C +ATOM 4761 NE ARG E 36 1.408 26.773 3.780 1.00 40.19 N +ATOM 4762 CZ ARG E 36 1.722 25.874 2.844 1.00 31.33 C +ATOM 4763 NH1 ARG E 36 2.990 25.624 2.530 1.00 30.62 N +ATOM 4764 NH2 ARG E 36 0.762 25.204 2.232 1.00 29.49 N +ATOM 4765 N GLN E 37 -1.986 30.569 4.991 1.00 30.88 N +ATOM 4766 CA GLN E 37 -3.308 30.075 5.297 1.00 34.93 C +ATOM 4767 C GLN E 37 -3.783 28.980 4.351 1.00 41.00 C +ATOM 4768 O GLN E 37 -3.849 29.173 3.135 1.00 41.05 O +ATOM 4769 CB GLN E 37 -4.288 31.243 5.272 1.00 31.73 C +ATOM 4770 CG GLN E 37 -5.640 30.925 5.844 1.00 35.53 C +ATOM 4771 CD GLN E 37 -6.637 31.989 5.525 1.00 34.81 C +ATOM 4772 OE1 GLN E 37 -6.363 32.890 4.736 1.00 46.43 O +ATOM 4773 NE2 GLN E 37 -7.807 31.901 6.128 1.00 39.11 N +ATOM 4774 N ASP E 38 -4.132 27.835 4.926 1.00 46.90 N +ATOM 4775 CA ASP E 38 -4.638 26.696 4.164 1.00 51.34 C +ATOM 4776 C ASP E 38 -6.026 26.417 4.731 1.00 52.50 C +ATOM 4777 O ASP E 38 -6.258 26.647 5.916 1.00 57.88 O +ATOM 4778 CB ASP E 38 -3.709 25.494 4.331 1.00 55.22 C +ATOM 4779 CG ASP E 38 -2.290 25.790 3.865 1.00 58.64 C +ATOM 4780 OD1 ASP E 38 -1.543 26.472 4.604 1.00 62.04 O +ATOM 4781 OD2 ASP E 38 -1.932 25.351 2.755 1.00 60.59 O +ATOM 4782 N PRO E 39 -6.951 25.875 3.916 1.00 52.98 N +ATOM 4783 CA PRO E 39 -8.318 25.590 4.379 1.00 52.40 C +ATOM 4784 C PRO E 39 -8.460 24.824 5.693 1.00 50.85 C +ATOM 4785 O PRO E 39 -9.256 25.199 6.563 1.00 51.15 O +ATOM 4786 CB PRO E 39 -8.920 24.808 3.206 1.00 52.42 C +ATOM 4787 CG PRO E 39 -8.201 25.363 2.027 1.00 52.44 C +ATOM 4788 CD PRO E 39 -6.772 25.405 2.532 1.00 50.68 C +ATOM 4789 N GLY E 40 -7.693 23.753 5.834 1.00 44.72 N +ATOM 4790 CA GLY E 40 -7.796 22.959 7.036 1.00 50.43 C +ATOM 4791 C GLY E 40 -7.189 23.481 8.331 1.00 49.02 C +ATOM 4792 O GLY E 40 -7.683 23.125 9.406 1.00 47.18 O +ATOM 4793 N MET E 41 -6.180 24.352 8.260 1.00 45.76 N +ATOM 4794 CA MET E 41 -5.525 24.798 9.487 1.00 41.00 C +ATOM 4795 C MET E 41 -5.200 26.272 9.726 1.00 36.12 C +ATOM 4796 O MET E 41 -4.081 26.592 10.105 1.00 36.49 O +ATOM 4797 CB MET E 41 -4.266 23.951 9.716 1.00 45.14 C +ATOM 4798 N GLY E 42 -6.177 27.157 9.586 1.00 34.33 N +ATOM 4799 CA GLY E 42 -5.917 28.565 9.836 1.00 31.79 C +ATOM 4800 C GLY E 42 -4.565 29.025 9.331 1.00 31.19 C +ATOM 4801 O GLY E 42 -4.127 28.599 8.260 1.00 37.31 O +ATOM 4802 N LEU E 43 -3.905 29.893 10.090 1.00 30.72 N +ATOM 4803 CA LEU E 43 -2.587 30.408 9.715 1.00 24.93 C +ATOM 4804 C LEU E 43 -1.517 29.628 10.466 1.00 22.99 C +ATOM 4805 O LEU E 43 -1.773 29.097 11.535 1.00 30.22 O +ATOM 4806 CB LEU E 43 -2.477 31.898 10.047 1.00 24.57 C +ATOM 4807 CG LEU E 43 -3.506 32.842 9.406 1.00 35.01 C +ATOM 4808 CD1 LEU E 43 -3.447 34.218 10.046 1.00 42.52 C +ATOM 4809 CD2 LEU E 43 -3.288 32.962 7.908 1.00 36.91 C +ATOM 4810 N ARG E 44 -0.321 29.556 9.899 1.00 16.76 N +ATOM 4811 CA ARG E 44 0.792 28.847 10.496 1.00 17.67 C +ATOM 4812 C ARG E 44 2.053 29.670 10.279 1.00 24.58 C +ATOM 4813 O ARG E 44 2.199 30.302 9.244 1.00 36.56 O +ATOM 4814 CB ARG E 44 0.939 27.473 9.860 1.00 17.00 C +ATOM 4815 CG ARG E 44 -0.161 26.504 10.265 1.00 19.78 C +ATOM 4816 CD ARG E 44 0.046 25.143 9.654 1.00 27.96 C +ATOM 4817 NE ARG E 44 -0.279 25.144 8.227 1.00 41.28 N +ATOM 4818 CZ ARG E 44 -0.270 24.067 7.445 1.00 35.67 C +ATOM 4819 NH1 ARG E 44 0.049 22.880 7.933 1.00 37.50 N +ATOM 4820 NH2 ARG E 44 -0.574 24.179 6.164 1.00 40.13 N +ATOM 4821 N LEU E 45 2.942 29.714 11.266 1.00 24.97 N +ATOM 4822 CA LEU E 45 4.168 30.493 11.138 1.00 24.42 C +ATOM 4823 C LEU E 45 5.215 29.699 10.365 1.00 23.86 C +ATOM 4824 O LEU E 45 5.406 28.501 10.592 1.00 29.16 O +ATOM 4825 CB LEU E 45 4.700 30.892 12.523 1.00 24.05 C +ATOM 4826 CG LEU E 45 5.888 31.859 12.642 1.00 13.48 C +ATOM 4827 CD1 LEU E 45 5.431 33.262 12.414 1.00 11.28 C +ATOM 4828 CD2 LEU E 45 6.482 31.766 14.015 1.00 16.46 C +ATOM 4829 N ILE E 46 5.904 30.384 9.467 1.00 20.55 N +ATOM 4830 CA ILE E 46 6.925 29.774 8.628 1.00 15.59 C +ATOM 4831 C ILE E 46 8.257 30.141 9.259 1.00 17.11 C +ATOM 4832 O ILE E 46 9.023 29.272 9.657 1.00 26.92 O +ATOM 4833 CB ILE E 46 6.832 30.343 7.145 1.00 18.98 C +ATOM 4834 CG1 ILE E 46 5.498 29.975 6.496 1.00 13.86 C +ATOM 4835 CG2 ILE E 46 7.935 29.789 6.248 1.00 18.75 C +ATOM 4836 CD1 ILE E 46 5.257 30.706 5.216 1.00 13.85 C +ATOM 4837 N HIS E 47 8.522 31.440 9.350 1.00 16.07 N +ATOM 4838 CA HIS E 47 9.750 31.982 9.921 1.00 13.81 C +ATOM 4839 C HIS E 47 9.369 33.322 10.501 1.00 16.07 C +ATOM 4840 O HIS E 47 8.359 33.903 10.105 1.00 22.96 O +ATOM 4841 CB HIS E 47 10.785 32.264 8.834 1.00 27.49 C +ATOM 4842 CG HIS E 47 11.608 31.076 8.427 1.00 34.29 C +ATOM 4843 ND1 HIS E 47 11.217 30.211 7.429 1.00 35.80 N +ATOM 4844 CD2 HIS E 47 12.833 30.669 8.825 1.00 38.97 C +ATOM 4845 CE1 HIS E 47 12.173 29.321 7.225 1.00 38.67 C +ATOM 4846 NE2 HIS E 47 13.164 29.572 8.054 1.00 41.07 N +ATOM 4847 N TYR E 48 10.177 33.829 11.420 1.00 20.53 N +ATOM 4848 CA TYR E 48 9.920 35.131 12.030 1.00 20.69 C +ATOM 4849 C TYR E 48 11.261 35.763 12.291 1.00 19.04 C +ATOM 4850 O TYR E 48 12.269 35.066 12.383 1.00 18.53 O +ATOM 4851 CB TYR E 48 9.150 34.996 13.350 1.00 27.62 C +ATOM 4852 CG TYR E 48 9.931 34.327 14.457 1.00 31.57 C +ATOM 4853 CD1 TYR E 48 9.961 32.938 14.574 1.00 34.67 C +ATOM 4854 CD2 TYR E 48 10.673 35.081 15.366 1.00 35.47 C +ATOM 4855 CE1 TYR E 48 10.721 32.310 15.565 1.00 37.92 C +ATOM 4856 CE2 TYR E 48 11.439 34.467 16.358 1.00 38.19 C +ATOM 4857 CZ TYR E 48 11.458 33.078 16.453 1.00 39.39 C +ATOM 4858 OH TYR E 48 12.236 32.454 17.412 1.00 44.15 O +ATOM 4859 N SER E 49 11.275 37.077 12.443 1.00 21.16 N +ATOM 4860 CA SER E 49 12.518 37.786 12.698 1.00 23.03 C +ATOM 4861 C SER E 49 12.259 38.756 13.823 1.00 25.04 C +ATOM 4862 O SER E 49 11.329 39.560 13.766 1.00 31.05 O +ATOM 4863 CB SER E 49 12.972 38.533 11.454 1.00 18.47 C +ATOM 4864 OG SER E 49 14.226 39.152 11.650 1.00 20.23 O +ATOM 4865 N VAL E 50 13.050 38.632 14.879 1.00 25.25 N +ATOM 4866 CA VAL E 50 12.895 39.498 16.033 1.00 23.20 C +ATOM 4867 C VAL E 50 13.622 40.803 15.794 1.00 27.30 C +ATOM 4868 O VAL E 50 13.505 41.719 16.600 1.00 33.92 O +ATOM 4869 CB VAL E 50 13.394 38.832 17.358 1.00 16.89 C +ATOM 4870 CG1 VAL E 50 12.692 37.496 17.583 1.00 8.05 C +ATOM 4871 CG2 VAL E 50 14.912 38.664 17.364 1.00 9.63 C +ATOM 4872 N GLY E 51 14.380 40.885 14.703 1.00 23.58 N +ATOM 4873 CA GLY E 51 15.098 42.108 14.428 1.00 27.34 C +ATOM 4874 C GLY E 51 16.181 41.993 13.386 1.00 28.53 C +ATOM 4875 O GLY E 51 16.611 40.897 13.035 1.00 33.16 O +ATOM 4876 N ALA E 52 16.663 43.146 12.940 1.00 27.73 N +ATOM 4877 CA ALA E 52 17.690 43.210 11.928 1.00 26.74 C +ATOM 4878 C ALA E 52 18.818 42.214 12.174 1.00 30.82 C +ATOM 4879 O ALA E 52 19.384 42.155 13.262 1.00 38.09 O +ATOM 4880 CB ALA E 52 18.234 44.640 11.834 1.00 22.30 C +ATOM 4881 N GLY E 53 19.062 41.371 11.179 1.00 35.44 N +ATOM 4882 CA GLY E 53 20.136 40.398 11.237 1.00 33.44 C +ATOM 4883 C GLY E 53 19.825 39.109 11.950 1.00 35.06 C +ATOM 4884 O GLY E 53 20.656 38.202 11.979 1.00 39.95 O +ATOM 4885 N ILE E 54 18.617 38.989 12.474 1.00 32.54 N +ATOM 4886 CA ILE E 54 18.261 37.797 13.217 1.00 33.29 C +ATOM 4887 C ILE E 54 17.061 37.112 12.590 1.00 36.25 C +ATOM 4888 O ILE E 54 16.111 37.771 12.184 1.00 31.60 O +ATOM 4889 CB ILE E 54 17.935 38.192 14.681 1.00 37.78 C +ATOM 4890 CG1 ILE E 54 19.103 38.969 15.294 1.00 30.07 C +ATOM 4891 CG2 ILE E 54 17.600 36.949 15.503 1.00 38.33 C +ATOM 4892 CD1 ILE E 54 18.686 40.020 16.286 1.00 41.28 C +ATOM 4893 N THR E 55 17.076 35.777 12.548 1.00 40.37 N +ATOM 4894 CA THR E 55 15.966 35.006 11.959 1.00 42.94 C +ATOM 4895 C THR E 55 15.858 33.642 12.634 1.00 40.26 C +ATOM 4896 O THR E 55 16.868 33.070 13.064 1.00 45.62 O +ATOM 4897 CB THR E 55 16.161 34.738 10.430 1.00 44.55 C +ATOM 4898 OG1 THR E 55 17.398 34.048 10.215 1.00 53.14 O +ATOM 4899 CG2 THR E 55 16.162 36.048 9.634 1.00 44.24 C +ATOM 4900 N ASP E 56 14.643 33.093 12.696 1.00 32.35 N +ATOM 4901 CA ASP E 56 14.429 31.781 13.292 1.00 32.67 C +ATOM 4902 C ASP E 56 13.182 31.155 12.719 1.00 33.15 C +ATOM 4903 O ASP E 56 12.255 31.854 12.313 1.00 30.59 O +ATOM 4904 CB ASP E 56 14.327 31.868 14.817 1.00 44.15 C +ATOM 4905 CG ASP E 56 15.354 30.987 15.529 1.00 44.99 C +ATOM 4906 OD1 ASP E 56 16.559 31.324 15.483 1.00 42.63 O +ATOM 4907 OD2 ASP E 56 14.948 29.964 16.135 1.00 45.54 O +ATOM 4908 N GLN E 57 13.173 29.827 12.689 1.00 35.01 N +ATOM 4909 CA GLN E 57 12.066 29.072 12.126 1.00 35.12 C +ATOM 4910 C GLN E 57 10.843 28.963 13.001 1.00 34.13 C +ATOM 4911 O GLN E 57 10.939 29.069 14.217 1.00 39.04 O +ATOM 4912 CB GLN E 57 12.530 27.680 11.691 1.00 42.29 C +ATOM 4913 CG GLN E 57 13.269 26.891 12.748 1.00 59.72 C +ATOM 4914 CD GLN E 57 13.993 25.680 12.169 1.00 67.95 C +ATOM 4915 OE1 GLN E 57 14.703 25.785 11.161 1.00 65.20 O +ATOM 4916 NE2 GLN E 57 13.837 24.528 12.820 1.00 72.87 N +ATOM 4917 N GLY E 58 9.698 28.768 12.354 1.00 27.53 N +ATOM 4918 CA GLY E 58 8.439 28.627 13.047 1.00 27.52 C +ATOM 4919 C GLY E 58 7.942 27.196 12.958 1.00 31.75 C +ATOM 4920 O GLY E 58 8.747 26.260 12.938 1.00 36.89 O +ATOM 4921 N GLU E 59 6.626 27.022 12.848 1.00 31.16 N +ATOM 4922 CA GLU E 59 6.023 25.689 12.781 1.00 35.54 C +ATOM 4923 C GLU E 59 6.368 24.960 11.485 1.00 38.67 C +ATOM 4924 O GLU E 59 6.962 23.880 11.513 1.00 43.16 O +ATOM 4925 CB GLU E 59 4.494 25.778 12.959 1.00 31.21 C +ATOM 4926 CG GLU E 59 3.747 24.432 13.029 1.00 33.33 C +ATOM 4927 CD GLU E 59 2.215 24.572 13.100 1.00 39.09 C +ATOM 4928 OE1 GLU E 59 1.705 25.710 13.182 1.00 43.27 O +ATOM 4929 OE2 GLU E 59 1.508 23.538 13.073 1.00 42.65 O +ATOM 4930 N VAL E 60 6.060 25.590 10.355 1.00 42.46 N +ATOM 4931 CA VAL E 60 6.289 25.003 9.029 1.00 37.84 C +ATOM 4932 C VAL E 60 7.338 25.740 8.200 1.00 35.16 C +ATOM 4933 O VAL E 60 7.011 26.390 7.208 1.00 36.25 O +ATOM 4934 CB VAL E 60 4.961 24.949 8.242 1.00 36.31 C +ATOM 4935 CG1 VAL E 60 4.060 23.878 8.837 1.00 37.78 C +ATOM 4936 CG2 VAL E 60 4.250 26.319 8.287 1.00 24.74 C +ATOM 4937 N PRO E 61 8.621 25.609 8.572 1.00 33.29 N +ATOM 4938 CA PRO E 61 9.750 26.253 7.894 1.00 35.12 C +ATOM 4939 C PRO E 61 10.396 25.508 6.712 1.00 38.07 C +ATOM 4940 O PRO E 61 11.282 26.059 6.042 1.00 39.36 O +ATOM 4941 CB PRO E 61 10.753 26.405 9.030 1.00 31.40 C +ATOM 4942 CG PRO E 61 10.603 25.095 9.721 1.00 29.39 C +ATOM 4943 CD PRO E 61 9.087 24.931 9.798 1.00 27.92 C +ATOM 4944 N ASN E 62 9.988 24.268 6.471 1.00 39.84 N +ATOM 4945 CA ASN E 62 10.573 23.473 5.390 1.00 43.78 C +ATOM 4946 C ASN E 62 10.242 23.963 3.982 1.00 42.13 C +ATOM 4947 O ASN E 62 9.066 24.078 3.613 1.00 43.03 O +ATOM 4948 CB ASN E 62 10.165 22.001 5.530 1.00 50.09 C +ATOM 4949 CG ASN E 62 10.906 21.291 6.655 1.00 51.59 C +ATOM 4950 OD1 ASN E 62 12.018 21.679 7.033 1.00 49.71 O +ATOM 4951 ND2 ASN E 62 10.291 20.245 7.194 1.00 51.22 N +ATOM 4952 N GLY E 63 11.287 24.244 3.204 1.00 36.16 N +ATOM 4953 CA GLY E 63 11.104 24.702 1.841 1.00 31.58 C +ATOM 4954 C GLY E 63 11.340 26.182 1.618 1.00 31.89 C +ATOM 4955 O GLY E 63 11.593 26.632 0.481 1.00 33.99 O +ATOM 4956 N TYR E 65 11.272 26.950 2.697 1.00 27.76 N +ATOM 4957 CA TYR E 65 11.471 28.384 2.603 1.00 26.93 C +ATOM 4958 C TYR E 65 12.715 28.816 3.356 1.00 29.55 C +ATOM 4959 O TYR E 65 13.125 28.206 4.338 1.00 34.04 O +ATOM 4960 CB TYR E 65 10.276 29.157 3.168 1.00 24.83 C +ATOM 4961 CG TYR E 65 8.900 28.624 2.804 1.00 24.14 C +ATOM 4962 CD1 TYR E 65 8.324 27.585 3.539 1.00 21.94 C +ATOM 4963 CD2 TYR E 65 8.149 29.187 1.762 1.00 14.44 C +ATOM 4964 CE1 TYR E 65 7.046 27.123 3.259 1.00 13.37 C +ATOM 4965 CE2 TYR E 65 6.866 28.730 1.488 1.00 7.45 C +ATOM 4966 CZ TYR E 65 6.328 27.700 2.239 1.00 8.09 C +ATOM 4967 OH TYR E 65 5.050 27.253 2.000 1.00 23.58 O +ATOM 4968 N ASN E 66 13.325 29.871 2.853 1.00 32.54 N +ATOM 4969 CA ASN E 66 14.502 30.473 3.444 1.00 29.94 C +ATOM 4970 C ASN E 66 14.011 31.871 3.746 1.00 31.20 C +ATOM 4971 O ASN E 66 12.962 32.282 3.255 1.00 31.85 O +ATOM 4972 CB ASN E 66 15.642 30.564 2.434 1.00 34.67 C +ATOM 4973 CG ASN E 66 16.449 29.277 2.338 1.00 48.39 C +ATOM 4974 OD1 ASN E 66 17.653 29.257 2.651 1.00 49.45 O +ATOM 4975 ND2 ASN E 66 15.803 28.196 1.888 1.00 43.57 N +ATOM 4976 N VAL E 67 14.725 32.598 4.585 1.00 33.18 N +ATOM 4977 CA VAL E 67 14.301 33.948 4.891 1.00 32.66 C +ATOM 4978 C VAL E 67 15.518 34.709 5.352 1.00 34.14 C +ATOM 4979 O VAL E 67 16.524 34.094 5.721 1.00 37.14 O +ATOM 4980 CB VAL E 67 13.169 33.941 5.931 1.00 35.22 C +ATOM 4981 CG1 VAL E 67 13.721 33.952 7.364 1.00 35.90 C +ATOM 4982 CG2 VAL E 67 12.211 35.065 5.645 1.00 33.62 C +ATOM 4983 N SER E 68 15.480 36.031 5.236 1.00 34.42 N +ATOM 4984 CA SER E 68 16.619 36.855 5.640 1.00 35.07 C +ATOM 4985 C SER E 68 16.129 38.221 6.097 1.00 33.10 C +ATOM 4986 O SER E 68 14.987 38.603 5.815 1.00 32.13 O +ATOM 4987 CB SER E 68 17.635 36.984 4.492 1.00 38.20 C +ATOM 4988 OG SER E 68 17.007 37.361 3.274 1.00 47.19 O +ATOM 4989 N ARG E 69 16.996 38.956 6.786 1.00 32.37 N +ATOM 4990 CA ARG E 69 16.627 40.263 7.324 1.00 32.78 C +ATOM 4991 C ARG E 69 17.853 41.161 7.437 1.00 33.70 C +ATOM 4992 O ARG E 69 18.416 41.300 8.513 1.00 40.27 O +ATOM 4993 CB ARG E 69 16.017 40.061 8.718 1.00 27.68 C +ATOM 4994 CG ARG E 69 15.496 41.298 9.374 1.00 29.64 C +ATOM 4995 CD ARG E 69 14.150 41.666 8.821 1.00 32.74 C +ATOM 4996 NE ARG E 69 13.584 42.814 9.523 1.00 37.94 N +ATOM 4997 CZ ARG E 69 13.013 42.749 10.721 1.00 37.74 C +ATOM 4998 NH1 ARG E 69 12.930 41.585 11.354 1.00 34.15 N +ATOM 4999 NH2 ARG E 69 12.528 43.849 11.285 1.00 33.65 N +ATOM 5000 N SER E 70 18.293 41.752 6.337 1.00 35.24 N +ATOM 5001 CA SER E 70 19.468 42.618 6.378 1.00 36.18 C +ATOM 5002 C SER E 70 19.063 44.043 6.703 1.00 36.80 C +ATOM 5003 O SER E 70 19.908 44.912 6.930 1.00 39.73 O +ATOM 5004 CB SER E 70 20.217 42.556 5.047 1.00 37.81 C +ATOM 5005 OG SER E 70 19.356 42.100 4.017 1.00 43.02 O +ATOM 5006 N THR E 71 17.756 44.275 6.713 1.00 34.40 N +ATOM 5007 CA THR E 71 17.199 45.578 7.021 1.00 33.57 C +ATOM 5008 C THR E 71 15.987 45.396 7.919 1.00 31.36 C +ATOM 5009 O THR E 71 15.362 44.349 7.919 1.00 34.46 O +ATOM 5010 CB THR E 71 16.759 46.275 5.757 1.00 35.75 C +ATOM 5011 OG1 THR E 71 16.115 45.324 4.894 1.00 38.76 O +ATOM 5012 CG2 THR E 71 17.949 46.890 5.068 1.00 41.55 C +ATOM 5013 N THR E 72 15.674 46.400 8.717 1.00 29.58 N +ATOM 5014 CA THR E 72 14.527 46.295 9.591 1.00 32.65 C +ATOM 5015 C THR E 72 13.269 46.570 8.777 1.00 31.59 C +ATOM 5016 O THR E 72 12.158 46.240 9.184 1.00 35.78 O +ATOM 5017 CB THR E 72 14.643 47.275 10.791 1.00 36.96 C +ATOM 5018 OG1 THR E 72 13.359 47.445 11.408 1.00 42.51 O +ATOM 5019 CG2 THR E 72 15.185 48.629 10.343 1.00 30.91 C +ATOM 5020 N GLU E 73 13.463 47.140 7.597 1.00 30.79 N +ATOM 5021 CA GLU E 73 12.353 47.482 6.725 1.00 29.47 C +ATOM 5022 C GLU E 73 11.804 46.325 5.899 1.00 27.30 C +ATOM 5023 O GLU E 73 10.586 46.241 5.719 1.00 30.76 O +ATOM 5024 CB GLU E 73 12.741 48.641 5.802 1.00 33.99 C +ATOM 5025 CG GLU E 73 12.984 49.970 6.518 1.00 42.48 C +ATOM 5026 CD GLU E 73 14.457 50.302 6.744 1.00 45.45 C +ATOM 5027 OE1 GLU E 73 15.327 49.419 6.598 1.00 47.70 O +ATOM 5028 OE2 GLU E 73 14.749 51.473 7.066 1.00 54.89 O +ATOM 5029 N ASP E 74 12.677 45.410 5.454 1.00 24.01 N +ATOM 5030 CA ASP E 74 12.257 44.279 4.609 1.00 20.12 C +ATOM 5031 C ASP E 74 12.551 42.906 5.183 1.00 16.76 C +ATOM 5032 O ASP E 74 13.587 42.705 5.786 1.00 20.65 O +ATOM 5033 CB ASP E 74 12.921 44.364 3.220 1.00 32.50 C +ATOM 5034 CG ASP E 74 12.879 45.772 2.616 1.00 32.71 C +ATOM 5035 OD1 ASP E 74 11.799 46.199 2.131 1.00 30.48 O +ATOM 5036 OD2 ASP E 74 13.942 46.441 2.634 1.00 33.30 O +ATOM 5037 N PHE E 75 11.672 41.949 4.893 1.00 21.48 N +ATOM 5038 CA PHE E 75 11.783 40.548 5.352 1.00 21.67 C +ATOM 5039 C PHE E 75 11.276 39.644 4.183 1.00 23.16 C +ATOM 5040 O PHE E 75 10.118 39.222 4.168 1.00 23.83 O +ATOM 5041 CB PHE E 75 10.905 40.363 6.620 1.00 17.45 C +ATOM 5042 CG PHE E 75 11.091 39.034 7.323 1.00 17.97 C +ATOM 5043 CD1 PHE E 75 12.370 38.567 7.649 1.00 17.87 C +ATOM 5044 CD2 PHE E 75 9.987 38.233 7.632 1.00 13.49 C +ATOM 5045 CE1 PHE E 75 12.544 37.310 8.269 1.00 15.43 C +ATOM 5046 CE2 PHE E 75 10.145 36.986 8.246 1.00 10.22 C +ATOM 5047 CZ PHE E 75 11.424 36.521 8.563 1.00 9.07 C +ATOM 5048 N PRO E 76 12.129 39.367 3.181 1.00 20.65 N +ATOM 5049 CA PRO E 76 11.807 38.545 2.001 1.00 17.07 C +ATOM 5050 C PRO E 76 11.730 37.030 2.172 1.00 21.28 C +ATOM 5051 O PRO E 76 12.697 36.390 2.596 1.00 28.69 O +ATOM 5052 CB PRO E 76 12.922 38.906 1.029 1.00 22.94 C +ATOM 5053 CG PRO E 76 14.101 39.100 1.936 1.00 22.67 C +ATOM 5054 CD PRO E 76 13.507 39.895 3.097 1.00 21.80 C +ATOM 5055 N LEU E 77 10.620 36.448 1.735 1.00 18.53 N +ATOM 5056 CA LEU E 77 10.401 35.007 1.825 1.00 16.76 C +ATOM 5057 C LEU E 77 10.755 34.250 0.539 1.00 23.22 C +ATOM 5058 O LEU E 77 9.991 34.283 -0.418 1.00 29.09 O +ATOM 5059 CB LEU E 77 8.937 34.741 2.148 1.00 14.15 C +ATOM 5060 CG LEU E 77 8.533 33.275 2.116 1.00 13.38 C +ATOM 5061 CD1 LEU E 77 9.439 32.502 3.065 1.00 14.81 C +ATOM 5062 CD2 LEU E 77 7.062 33.105 2.489 1.00 9.27 C +ATOM 5063 N ARG E 78 11.844 33.489 0.550 1.00 22.41 N +ATOM 5064 CA ARG E 78 12.278 32.725 -0.625 1.00 17.94 C +ATOM 5065 C ARG E 78 11.860 31.271 -0.662 1.00 18.89 C +ATOM 5066 O ARG E 78 11.974 30.557 0.321 1.00 26.03 O +ATOM 5067 CB ARG E 78 13.817 32.807 -0.795 1.00 12.27 C +ATOM 5068 N LEU E 79 11.319 30.858 -1.798 1.00 26.58 N +ATOM 5069 CA LEU E 79 10.955 29.465 -2.065 1.00 30.29 C +ATOM 5070 C LEU E 79 12.098 29.061 -3.031 1.00 34.84 C +ATOM 5071 O LEU E 79 12.127 29.516 -4.182 1.00 33.66 O +ATOM 5072 CB LEU E 79 9.596 29.368 -2.788 1.00 21.05 C +ATOM 5073 CG LEU E 79 8.258 29.462 -2.042 1.00 21.18 C +ATOM 5074 CD1 LEU E 79 7.958 30.870 -1.593 1.00 23.99 C +ATOM 5075 CD2 LEU E 79 7.146 28.979 -2.943 1.00 15.42 C +ATOM 5076 N LEU E 80 13.065 28.269 -2.564 1.00 37.05 N +ATOM 5077 CA LEU E 80 14.192 27.907 -3.425 1.00 36.70 C +ATOM 5078 C LEU E 80 13.894 27.033 -4.649 1.00 34.86 C +ATOM 5079 O LEU E 80 14.579 27.140 -5.663 1.00 33.14 O +ATOM 5080 CB LEU E 80 15.358 27.352 -2.604 1.00 45.16 C +ATOM 5081 CG LEU E 80 16.240 28.441 -1.966 1.00 52.37 C +ATOM 5082 CD1 LEU E 80 17.503 27.818 -1.369 1.00 54.14 C +ATOM 5083 CD2 LEU E 80 16.641 29.481 -3.023 1.00 54.43 C +ATOM 5084 N SER E 81 12.877 26.183 -4.553 1.00 31.80 N +ATOM 5085 CA SER E 81 12.461 25.321 -5.655 1.00 31.81 C +ATOM 5086 C SER E 81 11.048 24.885 -5.334 1.00 26.50 C +ATOM 5087 O SER E 81 10.829 24.017 -4.499 1.00 27.66 O +ATOM 5088 CB SER E 81 13.400 24.115 -5.862 1.00 37.98 C +ATOM 5089 OG SER E 81 13.399 23.210 -4.772 1.00 52.34 O +ATOM 5090 N ALA E 82 10.092 25.541 -5.983 1.00 23.49 N +ATOM 5091 CA ALA E 82 8.680 25.305 -5.761 1.00 19.68 C +ATOM 5092 C ALA E 82 8.208 23.851 -5.809 1.00 24.94 C +ATOM 5093 O ALA E 82 8.818 22.988 -6.463 1.00 28.22 O +ATOM 5094 CB ALA E 82 7.861 26.178 -6.685 1.00 12.13 C +ATOM 5095 N ALA E 83 7.114 23.610 -5.087 1.00 24.24 N +ATOM 5096 CA ALA E 83 6.477 22.307 -4.960 1.00 23.66 C +ATOM 5097 C ALA E 83 4.985 22.579 -4.779 1.00 26.55 C +ATOM 5098 O ALA E 83 4.612 23.564 -4.141 1.00 30.50 O +ATOM 5099 CB ALA E 83 7.024 21.587 -3.732 1.00 25.41 C +ATOM 5100 N PRO E 84 4.115 21.692 -5.298 1.00 20.04 N +ATOM 5101 CA PRO E 84 2.656 21.802 -5.222 1.00 20.18 C +ATOM 5102 C PRO E 84 2.103 22.079 -3.836 1.00 27.82 C +ATOM 5103 O PRO E 84 1.048 22.702 -3.688 1.00 29.81 O +ATOM 5104 CB PRO E 84 2.201 20.453 -5.741 1.00 17.98 C +ATOM 5105 CG PRO E 84 3.255 20.134 -6.748 1.00 17.36 C +ATOM 5106 CD PRO E 84 4.501 20.479 -6.030 1.00 15.72 C +ATOM 5107 N SER E 85 2.813 21.607 -2.819 1.00 30.22 N +ATOM 5108 CA SER E 85 2.397 21.794 -1.434 1.00 29.29 C +ATOM 5109 C SER E 85 2.466 23.259 -0.970 1.00 30.55 C +ATOM 5110 O SER E 85 1.725 23.671 -0.074 1.00 31.93 O +ATOM 5111 CB SER E 85 3.253 20.901 -0.529 1.00 31.14 C +ATOM 5112 OG SER E 85 4.617 20.932 -0.927 1.00 32.85 O +ATOM 5113 N GLN E 86 3.357 24.037 -1.580 1.00 30.18 N +ATOM 5114 CA GLN E 86 3.524 25.441 -1.226 1.00 28.69 C +ATOM 5115 C GLN E 86 2.429 26.336 -1.826 1.00 29.28 C +ATOM 5116 O GLN E 86 2.481 27.565 -1.741 1.00 28.86 O +ATOM 5117 CB GLN E 86 4.923 25.911 -1.610 1.00 22.66 C +ATOM 5118 CG GLN E 86 5.990 24.941 -1.116 1.00 25.92 C +ATOM 5119 CD GLN E 86 7.385 25.505 -1.143 1.00 23.95 C +ATOM 5120 OE1 GLN E 86 8.326 24.862 -1.582 1.00 32.50 O +ATOM 5121 NE2 GLN E 86 7.530 26.704 -0.643 1.00 42.68 N +ATOM 5122 N THR E 87 1.422 25.701 -2.412 1.00 28.26 N +ATOM 5123 CA THR E 87 0.295 26.401 -3.002 1.00 26.71 C +ATOM 5124 C THR E 87 -0.543 26.911 -1.837 1.00 28.63 C +ATOM 5125 O THR E 87 -1.185 26.126 -1.144 1.00 32.66 O +ATOM 5126 CB THR E 87 -0.542 25.428 -3.867 1.00 20.06 C +ATOM 5127 OG1 THR E 87 0.247 24.967 -4.966 1.00 18.81 O +ATOM 5128 CG2 THR E 87 -1.784 26.098 -4.401 1.00 16.49 C +ATOM 5129 N SER E 88 -0.538 28.221 -1.622 1.00 28.94 N +ATOM 5130 CA SER E 88 -1.285 28.798 -0.518 1.00 30.51 C +ATOM 5131 C SER E 88 -1.321 30.320 -0.650 1.00 30.45 C +ATOM 5132 O SER E 88 -0.913 30.872 -1.668 1.00 32.34 O +ATOM 5133 CB SER E 88 -0.599 28.379 0.796 1.00 35.72 C +ATOM 5134 OG SER E 88 -1.325 28.765 1.946 1.00 40.28 O +ATOM 5135 N VAL E 89 -1.863 30.986 0.368 1.00 32.55 N +ATOM 5136 CA VAL E 89 -1.956 32.453 0.425 1.00 24.25 C +ATOM 5137 C VAL E 89 -0.998 32.807 1.547 1.00 17.51 C +ATOM 5138 O VAL E 89 -1.130 32.270 2.631 1.00 16.05 O +ATOM 5139 CB VAL E 89 -3.374 32.906 0.813 1.00 21.37 C +ATOM 5140 CG1 VAL E 89 -3.438 34.399 0.903 1.00 21.64 C +ATOM 5141 CG2 VAL E 89 -4.370 32.414 -0.209 1.00 22.40 C +ATOM 5142 N TYR E 90 -0.004 33.645 1.259 1.00 17.79 N +ATOM 5143 CA TYR E 90 1.025 34.030 2.220 1.00 9.51 C +ATOM 5144 C TYR E 90 0.817 35.424 2.764 1.00 17.78 C +ATOM 5145 O TYR E 90 0.513 36.344 2.007 1.00 17.00 O +ATOM 5146 CB TYR E 90 2.408 33.962 1.573 1.00 13.87 C +ATOM 5147 CG TYR E 90 2.834 32.568 1.143 1.00 22.71 C +ATOM 5148 CD1 TYR E 90 2.101 31.849 0.198 1.00 26.04 C +ATOM 5149 CD2 TYR E 90 3.949 31.954 1.706 1.00 26.10 C +ATOM 5150 CE1 TYR E 90 2.464 30.551 -0.171 1.00 23.84 C +ATOM 5151 CE2 TYR E 90 4.321 30.656 1.338 1.00 31.22 C +ATOM 5152 CZ TYR E 90 3.566 29.959 0.399 1.00 30.23 C +ATOM 5153 OH TYR E 90 3.894 28.668 0.040 1.00 26.61 O +ATOM 5154 N PHE E 91 0.969 35.569 4.084 1.00 21.95 N +ATOM 5155 CA PHE E 91 0.800 36.855 4.758 1.00 17.05 C +ATOM 5156 C PHE E 91 2.037 37.253 5.527 1.00 19.25 C +ATOM 5157 O PHE E 91 2.690 36.420 6.135 1.00 22.14 O +ATOM 5158 CB PHE E 91 -0.363 36.806 5.718 1.00 15.44 C +ATOM 5159 CG PHE E 91 -1.668 36.619 5.052 1.00 17.98 C +ATOM 5160 CD1 PHE E 91 -2.365 37.709 4.560 1.00 15.58 C +ATOM 5161 CD2 PHE E 91 -2.216 35.350 4.930 1.00 16.29 C +ATOM 5162 CE1 PHE E 91 -3.601 37.539 3.952 1.00 19.19 C +ATOM 5163 CE2 PHE E 91 -3.457 35.167 4.323 1.00 18.80 C +ATOM 5164 CZ PHE E 91 -4.150 36.263 3.834 1.00 17.80 C +ATOM 5165 N CYS E 92 2.340 38.541 5.521 1.00 17.30 N +ATOM 5166 CA CYS E 92 3.489 39.034 6.223 1.00 15.40 C +ATOM 5167 C CYS E 92 2.959 39.861 7.368 1.00 23.03 C +ATOM 5168 O CYS E 92 1.932 40.529 7.211 1.00 24.32 O +ATOM 5169 CB CYS E 92 4.301 39.910 5.312 1.00 15.57 C +ATOM 5170 SG CYS E 92 5.840 40.403 6.119 1.00 39.87 S +ATOM 5171 N ALA E 93 3.643 39.832 8.507 1.00 25.11 N +ATOM 5172 CA ALA E 93 3.206 40.595 9.676 1.00 25.98 C +ATOM 5173 C ALA E 93 4.342 41.244 10.423 1.00 25.88 C +ATOM 5174 O ALA E 93 5.477 40.790 10.366 1.00 30.81 O +ATOM 5175 CB ALA E 93 2.431 39.715 10.620 1.00 25.70 C +ATOM 5176 N SER E 94 4.038 42.333 11.104 1.00 27.02 N +ATOM 5177 CA SER E 94 5.051 43.009 11.885 1.00 29.91 C +ATOM 5178 C SER E 94 4.452 43.590 13.181 1.00 29.37 C +ATOM 5179 O SER E 94 3.224 43.723 13.319 1.00 19.73 O +ATOM 5180 CB SER E 94 5.785 44.075 11.040 1.00 26.32 C +ATOM 5181 OG SER E 94 5.062 45.289 10.920 1.00 30.88 O +ATOM 5182 N SER E 95 5.327 43.798 14.164 1.00 28.15 N +ATOM 5183 CA SER E 95 4.975 44.361 15.460 1.00 25.49 C +ATOM 5184 C SER E 95 6.263 44.889 16.085 1.00 26.94 C +ATOM 5185 O SER E 95 7.363 44.658 15.560 1.00 27.28 O +ATOM 5186 CB SER E 95 4.269 43.329 16.372 1.00 25.59 C +ATOM 5187 OG SER E 95 5.013 42.137 16.601 1.00 25.70 O +ATOM 5188 N TYR E 96 6.126 45.633 17.177 1.00 29.07 N +ATOM 5189 CA TYR E 96 7.268 46.219 17.877 1.00 27.64 C +ATOM 5190 C TYR E 96 7.070 45.911 19.354 1.00 25.84 C +ATOM 5191 O TYR E 96 6.622 46.758 20.128 1.00 24.34 O +ATOM 5192 CB TYR E 96 7.268 47.722 17.635 1.00 25.19 C +ATOM 5193 CG TYR E 96 8.380 48.496 18.281 1.00 23.44 C +ATOM 5194 CD1 TYR E 96 9.637 47.936 18.497 1.00 18.59 C +ATOM 5195 CD2 TYR E 96 8.185 49.824 18.618 1.00 30.74 C +ATOM 5196 CE1 TYR E 96 10.669 48.697 19.027 1.00 23.33 C +ATOM 5197 CE2 TYR E 96 9.199 50.593 19.147 1.00 30.68 C +ATOM 5198 CZ TYR E 96 10.439 50.036 19.349 1.00 30.95 C +ATOM 5199 OH TYR E 96 11.433 50.859 19.852 1.00 37.20 O +ATOM 5200 N PRO E 97 7.411 44.680 19.756 1.00 25.23 N +ATOM 5201 CA PRO E 97 7.297 44.162 21.124 1.00 27.81 C +ATOM 5202 C PRO E 97 7.955 45.007 22.244 1.00 26.91 C +ATOM 5203 O PRO E 97 7.265 45.479 23.164 1.00 21.63 O +ATOM 5204 CB PRO E 97 7.920 42.758 21.000 1.00 27.09 C +ATOM 5205 CG PRO E 97 7.633 42.380 19.566 1.00 19.74 C +ATOM 5206 CD PRO E 97 7.995 43.657 18.866 1.00 22.22 C +ATOM 5207 N GLY E 98 9.270 45.208 22.140 1.00 24.51 N +ATOM 5208 CA GLY E 98 10.026 45.965 23.127 1.00 19.21 C +ATOM 5209 C GLY E 98 9.639 47.424 23.266 1.00 26.24 C +ATOM 5210 O GLY E 98 10.326 48.197 23.932 1.00 27.78 O +ATOM 5211 N GLY E 99 8.567 47.817 22.590 1.00 29.50 N +ATOM 5212 CA GLY E 99 8.097 49.186 22.674 1.00 24.43 C +ATOM 5213 C GLY E 99 6.631 49.275 23.066 1.00 20.91 C +ATOM 5214 O GLY E 99 6.092 50.367 23.124 1.00 27.04 O +ATOM 5215 N GLY E 100 5.989 48.148 23.365 1.00 19.15 N +ATOM 5216 CA GLY E 100 4.584 48.175 23.745 1.00 17.19 C +ATOM 5217 C GLY E 100 3.595 47.719 22.672 1.00 24.44 C +ATOM 5218 O GLY E 100 2.405 47.558 22.950 1.00 22.04 O +ATOM 5219 N PHE E 101 4.073 47.471 21.452 1.00 27.55 N +ATOM 5220 CA PHE E 101 3.206 47.031 20.359 1.00 26.76 C +ATOM 5221 C PHE E 101 3.308 45.525 20.197 1.00 31.73 C +ATOM 5222 O PHE E 101 4.134 45.043 19.419 1.00 32.30 O +ATOM 5223 CB PHE E 101 3.630 47.713 19.067 1.00 29.88 C +ATOM 5224 CG PHE E 101 3.805 49.184 19.206 1.00 33.73 C +ATOM 5225 CD1 PHE E 101 5.015 49.705 19.629 1.00 38.33 C +ATOM 5226 CD2 PHE E 101 2.737 50.050 18.986 1.00 40.71 C +ATOM 5227 CE1 PHE E 101 5.171 51.078 19.839 1.00 45.89 C +ATOM 5228 CE2 PHE E 101 2.873 51.423 19.192 1.00 44.62 C +ATOM 5229 CZ PHE E 101 4.097 51.939 19.623 1.00 47.41 C +ATOM 5230 N TYR E 104 2.501 44.793 20.966 1.00 33.77 N +ATOM 5231 CA TYR E 104 2.507 43.328 20.933 1.00 40.37 C +ATOM 5232 C TYR E 104 1.531 42.879 19.853 1.00 45.61 C +ATOM 5233 O TYR E 104 1.712 41.826 19.219 1.00 47.17 O +ATOM 5234 CB TYR E 104 2.088 42.734 22.300 1.00 41.89 C +ATOM 5235 CG TYR E 104 2.566 43.509 23.522 1.00 39.51 C +ATOM 5236 CD1 TYR E 104 3.923 43.695 23.775 1.00 42.61 C +ATOM 5237 CD2 TYR E 104 1.658 44.104 24.383 1.00 39.57 C +ATOM 5238 CE1 TYR E 104 4.362 44.456 24.856 1.00 38.51 C +ATOM 5239 CE2 TYR E 104 2.088 44.866 25.467 1.00 45.60 C +ATOM 5240 CZ TYR E 104 3.440 45.040 25.692 1.00 40.66 C +ATOM 5241 OH TYR E 104 3.860 45.799 26.756 1.00 47.98 O +ATOM 5242 N GLU E 105 0.494 43.696 19.666 1.00 50.21 N +ATOM 5243 CA GLU E 105 -0.563 43.472 18.672 1.00 51.01 C +ATOM 5244 C GLU E 105 0.058 43.462 17.259 1.00 46.06 C +ATOM 5245 O GLU E 105 0.678 44.449 16.840 1.00 45.29 O +ATOM 5246 CB GLU E 105 -1.617 44.589 18.792 1.00 60.02 C +ATOM 5247 CG GLU E 105 -2.644 44.448 19.935 1.00 65.65 C +ATOM 5248 CD GLU E 105 -2.032 44.251 21.321 1.00 69.18 C +ATOM 5249 OE1 GLU E 105 -1.438 45.202 21.872 1.00 72.28 O +ATOM 5250 OE2 GLU E 105 -2.171 43.140 21.872 1.00 70.27 O +ATOM 5251 N GLN E 106 -0.136 42.368 16.526 1.00 40.12 N +ATOM 5252 CA GLN E 106 0.447 42.218 15.190 1.00 36.73 C +ATOM 5253 C GLN E 106 -0.338 42.731 14.006 1.00 33.92 C +ATOM 5254 O GLN E 106 -1.552 42.567 13.929 1.00 32.57 O +ATOM 5255 CB GLN E 106 0.830 40.780 14.945 1.00 31.83 C +ATOM 5256 CG GLN E 106 2.242 40.665 14.551 1.00 33.00 C +ATOM 5257 CD GLN E 106 2.782 39.291 14.758 1.00 39.43 C +ATOM 5258 OE1 GLN E 106 2.074 38.298 14.647 1.00 47.91 O +ATOM 5259 NE2 GLN E 106 4.055 39.218 15.058 1.00 50.54 N +ATOM 5260 N TYR E 107 0.396 43.303 13.058 1.00 33.87 N +ATOM 5261 CA TYR E 107 -0.172 43.896 11.849 1.00 38.58 C +ATOM 5262 C TYR E 107 0.114 43.069 10.611 1.00 34.68 C +ATOM 5263 O TYR E 107 1.276 42.826 10.303 1.00 33.87 O +ATOM 5264 CB TYR E 107 0.409 45.296 11.648 1.00 42.82 C +ATOM 5265 CG TYR E 107 0.056 46.279 12.741 1.00 51.88 C +ATOM 5266 CD1 TYR E 107 -1.236 46.336 13.265 1.00 60.67 C +ATOM 5267 CD2 TYR E 107 0.998 47.180 13.222 1.00 55.15 C +ATOM 5268 CE1 TYR E 107 -1.583 47.275 14.239 1.00 65.30 C +ATOM 5269 CE2 TYR E 107 0.665 48.124 14.192 1.00 61.53 C +ATOM 5270 CZ TYR E 107 -0.626 48.170 14.697 1.00 65.56 C +ATOM 5271 OH TYR E 107 -0.969 49.120 15.641 1.00 70.34 O +ATOM 5272 N PHE E 108 -0.933 42.686 9.880 1.00 34.17 N +ATOM 5273 CA PHE E 108 -0.781 41.877 8.657 1.00 35.42 C +ATOM 5274 C PHE E 108 -0.817 42.585 7.279 1.00 31.14 C +ATOM 5275 O PHE E 108 -1.647 43.461 7.022 1.00 24.85 O +ATOM 5276 CB PHE E 108 -1.790 40.726 8.664 1.00 31.76 C +ATOM 5277 CG PHE E 108 -1.480 39.664 9.676 1.00 34.30 C +ATOM 5278 CD1 PHE E 108 -1.794 39.847 11.009 1.00 26.02 C +ATOM 5279 CD2 PHE E 108 -0.873 38.475 9.288 1.00 33.91 C +ATOM 5280 CE1 PHE E 108 -1.510 38.867 11.933 1.00 23.84 C +ATOM 5281 CE2 PHE E 108 -0.586 37.490 10.217 1.00 28.26 C +ATOM 5282 CZ PHE E 108 -0.908 37.689 11.539 1.00 24.28 C +ATOM 5283 N GLY E 109 0.086 42.180 6.391 1.00 30.08 N +ATOM 5284 CA GLY E 109 0.119 42.745 5.060 1.00 31.38 C +ATOM 5285 C GLY E 109 -1.090 42.193 4.315 1.00 36.16 C +ATOM 5286 O GLY E 109 -1.755 41.268 4.810 1.00 34.87 O +ATOM 5287 N PRO E 110 -1.374 42.684 3.100 1.00 34.53 N +ATOM 5288 CA PRO E 110 -2.529 42.200 2.335 1.00 27.56 C +ATOM 5289 C PRO E 110 -2.562 40.708 1.925 1.00 28.53 C +ATOM 5290 O PRO E 110 -3.644 40.146 1.748 1.00 30.96 O +ATOM 5291 CB PRO E 110 -2.575 43.161 1.153 1.00 27.48 C +ATOM 5292 CG PRO E 110 -1.137 43.586 0.994 1.00 33.11 C +ATOM 5293 CD PRO E 110 -0.686 43.786 2.397 1.00 29.67 C +ATOM 5294 N GLY E 111 -1.398 40.076 1.785 1.00 28.47 N +ATOM 5295 CA GLY E 111 -1.345 38.664 1.415 1.00 25.50 C +ATOM 5296 C GLY E 111 -1.055 38.428 -0.053 1.00 28.91 C +ATOM 5297 O GLY E 111 -1.446 39.232 -0.895 1.00 34.43 O +ATOM 5298 N THR E 112 -0.348 37.350 -0.370 1.00 26.01 N +ATOM 5299 CA THR E 112 -0.033 37.034 -1.758 1.00 21.72 C +ATOM 5300 C THR E 112 -0.430 35.603 -2.092 1.00 22.62 C +ATOM 5301 O THR E 112 0.011 34.672 -1.405 1.00 20.80 O +ATOM 5302 CB THR E 112 1.495 37.242 -2.135 1.00 19.46 C +ATOM 5303 OG1 THR E 112 2.189 35.993 -2.155 1.00 25.07 O +ATOM 5304 CG2 THR E 112 2.203 38.154 -1.187 1.00 17.26 C +ATOM 5305 N ARG E 113 -1.298 35.431 -3.100 1.00 21.57 N +ATOM 5306 CA ARG E 113 -1.730 34.094 -3.535 1.00 22.34 C +ATOM 5307 C ARG E 113 -0.679 33.479 -4.426 1.00 20.33 C +ATOM 5308 O ARG E 113 -0.171 34.117 -5.350 1.00 19.49 O +ATOM 5309 CB ARG E 113 -3.031 34.114 -4.323 1.00 24.73 C +ATOM 5310 CG ARG E 113 -4.288 34.093 -3.509 1.00 35.90 C +ATOM 5311 CD ARG E 113 -5.469 33.713 -4.398 1.00 44.06 C +ATOM 5312 NE ARG E 113 -5.725 32.274 -4.374 1.00 55.68 N +ATOM 5313 CZ ARG E 113 -6.631 31.704 -3.588 1.00 62.73 C +ATOM 5314 NH1 ARG E 113 -7.363 32.449 -2.769 1.00 69.03 N +ATOM 5315 NH2 ARG E 113 -6.793 30.388 -3.595 1.00 69.66 N +ATOM 5316 N LEU E 114 -0.394 32.215 -4.188 1.00 20.68 N +ATOM 5317 CA LEU E 114 0.611 31.535 -4.960 1.00 24.13 C +ATOM 5318 C LEU E 114 0.081 30.163 -5.311 1.00 29.59 C +ATOM 5319 O LEU E 114 -0.568 29.515 -4.487 1.00 36.14 O +ATOM 5320 CB LEU E 114 1.880 31.422 -4.138 1.00 12.24 C +ATOM 5321 CG LEU E 114 3.101 30.925 -4.880 1.00 17.46 C +ATOM 5322 CD1 LEU E 114 4.233 31.879 -4.607 1.00 30.16 C +ATOM 5323 CD2 LEU E 114 3.455 29.518 -4.452 1.00 16.78 C +ATOM 5324 N THR E 115 0.291 29.768 -6.565 1.00 29.88 N +ATOM 5325 CA THR E 115 -0.138 28.465 -7.063 1.00 26.71 C +ATOM 5326 C THR E 115 1.021 27.842 -7.835 1.00 26.55 C +ATOM 5327 O THR E 115 1.727 28.523 -8.576 1.00 27.95 O +ATOM 5328 CB THR E 115 -1.366 28.566 -7.976 1.00 26.88 C +ATOM 5329 OG1 THR E 115 -2.457 29.183 -7.276 1.00 29.60 O +ATOM 5330 CG2 THR E 115 -1.798 27.196 -8.404 1.00 33.52 C +ATOM 5331 N VAL E 116 1.282 26.569 -7.587 1.00 28.01 N +ATOM 5332 CA VAL E 116 2.367 25.899 -8.281 1.00 29.27 C +ATOM 5333 C VAL E 116 1.850 24.653 -9.009 1.00 33.13 C +ATOM 5334 O VAL E 116 1.083 23.865 -8.439 1.00 29.36 O +ATOM 5335 CB VAL E 116 3.550 25.621 -7.310 1.00 26.35 C +ATOM 5336 CG1 VAL E 116 3.033 25.170 -5.998 1.00 31.28 C +ATOM 5337 CG2 VAL E 116 4.518 24.603 -7.874 1.00 27.07 C +ATOM 5338 N THR E 117 2.151 24.580 -10.312 1.00 37.90 N +ATOM 5339 CA THR E 117 1.757 23.457 -11.171 1.00 36.10 C +ATOM 5340 C THR E 117 2.951 22.679 -11.680 1.00 41.16 C +ATOM 5341 O THR E 117 4.080 23.188 -11.731 1.00 39.95 O +ATOM 5342 CB THR E 117 1.004 23.900 -12.431 1.00 30.56 C +ATOM 5343 OG1 THR E 117 1.041 25.323 -12.548 1.00 33.35 O +ATOM 5344 CG2 THR E 117 -0.411 23.390 -12.409 1.00 26.58 C +ATOM 5345 N GLU E 118 2.670 21.450 -12.106 1.00 44.58 N +ATOM 5346 CA GLU E 118 3.686 20.565 -12.645 1.00 45.33 C +ATOM 5347 C GLU E 118 4.055 21.031 -14.042 1.00 42.76 C +ATOM 5348 O GLU E 118 5.231 21.051 -14.388 1.00 42.39 O +ATOM 5349 CB GLU E 118 3.171 19.124 -12.683 1.00 52.30 C +ATOM 5350 CG GLU E 118 4.052 18.136 -11.912 1.00 60.14 C +ATOM 5351 CD GLU E 118 4.156 18.455 -10.420 1.00 66.63 C +ATOM 5352 OE1 GLU E 118 3.118 18.783 -9.796 1.00 71.20 O +ATOM 5353 OE2 GLU E 118 5.278 18.369 -9.872 1.00 67.29 O +ATOM 5354 N ASP E 119 3.042 21.440 -14.816 1.00 44.78 N +ATOM 5355 CA ASP E 119 3.211 21.920 -16.201 1.00 40.98 C +ATOM 5356 C ASP E 119 2.464 23.239 -16.501 1.00 38.30 C +ATOM 5357 O ASP E 119 1.230 23.315 -16.373 1.00 36.73 O +ATOM 5358 CB ASP E 119 2.762 20.826 -17.200 1.00 37.84 C +ATOM 5359 N LEU E 120 3.213 24.249 -16.954 1.00 34.46 N +ATOM 5360 CA LEU E 120 2.670 25.573 -17.303 1.00 30.64 C +ATOM 5361 C LEU E 120 1.621 25.593 -18.415 1.00 32.66 C +ATOM 5362 O LEU E 120 0.989 26.619 -18.654 1.00 31.21 O +ATOM 5363 CB LEU E 120 3.794 26.537 -17.671 1.00 23.00 C +ATOM 5364 CG LEU E 120 4.540 27.039 -16.438 1.00 36.66 C +ATOM 5365 CD1 LEU E 120 5.729 27.898 -16.830 1.00 31.43 C +ATOM 5366 CD2 LEU E 120 3.566 27.821 -15.554 1.00 35.44 C +ATOM 5367 N LYS E 121 1.433 24.456 -19.078 1.00 32.89 N +ATOM 5368 CA LYS E 121 0.460 24.333 -20.145 1.00 29.12 C +ATOM 5369 C LYS E 121 -0.917 24.280 -19.491 1.00 34.27 C +ATOM 5370 O LYS E 121 -1.945 24.282 -20.177 1.00 31.00 O +ATOM 5371 CB LYS E 121 0.728 23.060 -20.934 1.00 33.76 C +ATOM 5372 N ASN E 122 -0.913 24.220 -18.153 1.00 37.38 N +ATOM 5373 CA ASN E 122 -2.125 24.170 -17.324 1.00 34.78 C +ATOM 5374 C ASN E 122 -2.758 25.530 -17.109 1.00 31.34 C +ATOM 5375 O ASN E 122 -3.948 25.633 -16.789 1.00 34.40 O +ATOM 5376 CB ASN E 122 -1.806 23.592 -15.952 1.00 36.23 C +ATOM 5377 CG ASN E 122 -1.629 22.111 -15.981 1.00 34.78 C +ATOM 5378 OD1 ASN E 122 -2.423 21.399 -16.585 1.00 37.94 O +ATOM 5379 ND2 ASN E 122 -0.604 21.625 -15.309 1.00 36.21 N +ATOM 5380 N VAL E 123 -1.937 26.565 -17.207 1.00 25.31 N +ATOM 5381 CA VAL E 123 -2.414 27.918 -17.021 1.00 26.14 C +ATOM 5382 C VAL E 123 -3.338 28.235 -18.191 1.00 28.02 C +ATOM 5383 O VAL E 123 -2.977 28.017 -19.333 1.00 25.68 O +ATOM 5384 CB VAL E 123 -1.236 28.911 -16.972 1.00 26.63 C +ATOM 5385 CG1 VAL E 123 -1.732 30.293 -16.583 1.00 26.27 C +ATOM 5386 CG2 VAL E 123 -0.170 28.419 -15.981 1.00 26.30 C +ATOM 5387 N PHE E 124 -4.531 28.736 -17.889 1.00 28.05 N +ATOM 5388 CA PHE E 124 -5.530 29.074 -18.878 1.00 25.42 C +ATOM 5389 C PHE E 124 -6.224 30.366 -18.505 1.00 27.56 C +ATOM 5390 O PHE E 124 -6.569 30.558 -17.352 1.00 33.63 O +ATOM 5391 CB PHE E 124 -6.620 28.009 -18.881 1.00 33.53 C +ATOM 5392 CG PHE E 124 -6.296 26.789 -19.679 1.00 48.29 C +ATOM 5393 CD1 PHE E 124 -6.349 26.821 -21.068 1.00 52.55 C +ATOM 5394 CD2 PHE E 124 -6.006 25.587 -19.051 1.00 53.54 C +ATOM 5395 CE1 PHE E 124 -6.118 25.673 -21.819 1.00 53.18 C +ATOM 5396 CE2 PHE E 124 -5.771 24.426 -19.800 1.00 53.28 C +ATOM 5397 CZ PHE E 124 -5.830 24.472 -21.179 1.00 52.82 C +ATOM 5398 N PRO E 125 -6.371 31.300 -19.438 1.00 30.97 N +ATOM 5399 CA PRO E 125 -7.057 32.559 -19.124 1.00 29.24 C +ATOM 5400 C PRO E 125 -8.555 32.242 -19.013 1.00 25.15 C +ATOM 5401 O PRO E 125 -9.007 31.169 -19.426 1.00 29.02 O +ATOM 5402 CB PRO E 125 -6.782 33.420 -20.350 1.00 27.13 C +ATOM 5403 CG PRO E 125 -5.433 32.961 -20.766 1.00 34.17 C +ATOM 5404 CD PRO E 125 -5.564 31.462 -20.669 1.00 35.88 C +ATOM 5405 N PRO E 126 -9.338 33.172 -18.450 1.00 23.09 N +ATOM 5406 CA PRO E 126 -10.787 32.953 -18.313 1.00 24.17 C +ATOM 5407 C PRO E 126 -11.621 33.244 -19.568 1.00 33.44 C +ATOM 5408 O PRO E 126 -11.193 33.971 -20.475 1.00 35.70 O +ATOM 5409 CB PRO E 126 -11.149 33.931 -17.201 1.00 15.34 C +ATOM 5410 CG PRO E 126 -10.222 35.089 -17.487 1.00 13.55 C +ATOM 5411 CD PRO E 126 -8.912 34.402 -17.766 1.00 10.45 C +ATOM 5412 N GLU E 127 -12.837 32.704 -19.600 1.00 37.64 N +ATOM 5413 CA GLU E 127 -13.764 32.952 -20.704 1.00 40.86 C +ATOM 5414 C GLU E 127 -15.019 33.553 -20.076 1.00 39.21 C +ATOM 5415 O GLU E 127 -15.936 32.837 -19.669 1.00 42.34 O +ATOM 5416 CB GLU E 127 -14.092 31.661 -21.473 1.00 45.44 C +ATOM 5417 CG GLU E 127 -13.164 31.410 -22.661 1.00 45.76 C +ATOM 5418 CD GLU E 127 -13.462 30.129 -23.404 1.00 45.70 C +ATOM 5419 OE1 GLU E 127 -14.652 29.791 -23.587 1.00 40.67 O +ATOM 5420 OE2 GLU E 127 -12.488 29.467 -23.814 1.00 50.69 O +ATOM 5421 N VAL E 128 -15.053 34.874 -19.989 1.00 35.47 N +ATOM 5422 CA VAL E 128 -16.189 35.522 -19.358 1.00 34.88 C +ATOM 5423 C VAL E 128 -17.356 35.772 -20.300 1.00 33.79 C +ATOM 5424 O VAL E 128 -17.178 35.863 -21.508 1.00 31.57 O +ATOM 5425 CB VAL E 128 -15.755 36.789 -18.546 1.00 34.96 C +ATOM 5426 CG1 VAL E 128 -14.232 36.982 -18.624 1.00 28.32 C +ATOM 5427 CG2 VAL E 128 -16.507 38.025 -18.987 1.00 29.32 C +ATOM 5428 N ALA E 129 -18.561 35.804 -19.740 1.00 33.39 N +ATOM 5429 CA ALA E 129 -19.770 36.024 -20.521 1.00 35.24 C +ATOM 5430 C ALA E 129 -20.913 36.452 -19.604 1.00 34.43 C +ATOM 5431 O ALA E 129 -21.135 35.824 -18.575 1.00 42.44 O +ATOM 5432 CB ALA E 129 -20.140 34.729 -21.252 1.00 38.61 C +ATOM 5433 N VAL E 130 -21.625 37.522 -19.953 1.00 31.64 N +ATOM 5434 CA VAL E 130 -22.749 37.994 -19.128 1.00 28.21 C +ATOM 5435 C VAL E 130 -24.045 37.425 -19.654 1.00 23.60 C +ATOM 5436 O VAL E 130 -24.172 37.161 -20.842 1.00 26.25 O +ATOM 5437 CB VAL E 130 -22.893 39.550 -19.090 1.00 33.22 C +ATOM 5438 CG1 VAL E 130 -21.591 40.202 -18.682 1.00 36.65 C +ATOM 5439 CG2 VAL E 130 -23.363 40.091 -20.423 1.00 35.91 C +ATOM 5440 N PHE E 131 -25.004 37.225 -18.765 1.00 21.27 N +ATOM 5441 CA PHE E 131 -26.298 36.689 -19.144 1.00 20.91 C +ATOM 5442 C PHE E 131 -27.299 37.755 -18.781 1.00 25.25 C +ATOM 5443 O PHE E 131 -27.316 38.231 -17.660 1.00 31.14 O +ATOM 5444 CB PHE E 131 -26.544 35.380 -18.409 1.00 14.38 C +ATOM 5445 CG PHE E 131 -25.483 34.345 -18.684 1.00 13.95 C +ATOM 5446 CD1 PHE E 131 -24.159 34.565 -18.317 1.00 11.35 C +ATOM 5447 CD2 PHE E 131 -25.795 33.165 -19.328 1.00 14.56 C +ATOM 5448 CE1 PHE E 131 -23.180 33.640 -18.579 1.00 6.70 C +ATOM 5449 CE2 PHE E 131 -24.811 32.236 -19.594 1.00 11.99 C +ATOM 5450 CZ PHE E 131 -23.503 32.479 -19.217 1.00 10.63 C +ATOM 5451 N GLU E 132 -28.096 38.178 -19.748 1.00 31.36 N +ATOM 5452 CA GLU E 132 -29.054 39.254 -19.513 1.00 35.55 C +ATOM 5453 C GLU E 132 -30.143 38.926 -18.519 1.00 32.70 C +ATOM 5454 O GLU E 132 -30.457 37.762 -18.291 1.00 39.40 O +ATOM 5455 CB GLU E 132 -29.733 39.660 -20.820 1.00 46.17 C +ATOM 5456 CG GLU E 132 -28.833 40.169 -21.919 1.00 54.73 C +ATOM 5457 CD GLU E 132 -29.613 40.451 -23.189 1.00 64.10 C +ATOM 5458 OE1 GLU E 132 -30.745 39.924 -23.347 1.00 67.27 O +ATOM 5459 OE2 GLU E 132 -29.092 41.213 -24.030 1.00 74.38 O +ATOM 5460 N PRO E 133 -30.767 39.962 -17.947 1.00 29.49 N +ATOM 5461 CA PRO E 133 -31.856 39.856 -16.972 1.00 33.03 C +ATOM 5462 C PRO E 133 -33.010 39.003 -17.501 1.00 39.33 C +ATOM 5463 O PRO E 133 -33.154 38.812 -18.712 1.00 44.30 O +ATOM 5464 CB PRO E 133 -32.312 41.302 -16.831 1.00 23.94 C +ATOM 5465 CG PRO E 133 -31.051 42.054 -16.974 1.00 22.97 C +ATOM 5466 CD PRO E 133 -30.311 41.359 -18.075 1.00 22.60 C +ATOM 5467 N SER E 134 -33.819 38.482 -16.587 1.00 45.90 N +ATOM 5468 CA SER E 134 -34.979 37.678 -16.957 1.00 47.59 C +ATOM 5469 C SER E 134 -36.124 38.625 -17.314 1.00 45.37 C +ATOM 5470 O SER E 134 -36.321 39.651 -16.655 1.00 45.54 O +ATOM 5471 CB SER E 134 -35.390 36.774 -15.783 1.00 47.48 C +ATOM 5472 OG SER E 134 -36.687 36.222 -15.966 1.00 54.34 O +ATOM 5473 N GLU E 135 -36.881 38.289 -18.350 1.00 44.06 N +ATOM 5474 CA GLU E 135 -38.007 39.126 -18.740 1.00 47.30 C +ATOM 5475 C GLU E 135 -39.034 38.998 -17.621 1.00 48.18 C +ATOM 5476 O GLU E 135 -39.742 39.953 -17.279 1.00 48.69 O +ATOM 5477 CB GLU E 135 -38.596 38.647 -20.059 1.00 48.18 C +ATOM 5478 N ALA E 136 -39.067 37.808 -17.026 1.00 44.93 N +ATOM 5479 CA ALA E 136 -39.979 37.505 -15.937 1.00 41.42 C +ATOM 5480 C ALA E 136 -39.599 38.336 -14.706 1.00 42.04 C +ATOM 5481 O ALA E 136 -40.452 38.988 -14.108 1.00 41.28 O +ATOM 5482 CB ALA E 136 -39.933 36.017 -15.625 1.00 37.95 C +ATOM 5483 N GLU E 137 -38.310 38.357 -14.375 1.00 38.86 N +ATOM 5484 CA GLU E 137 -37.820 39.104 -13.228 1.00 38.19 C +ATOM 5485 C GLU E 137 -38.181 40.575 -13.333 1.00 44.47 C +ATOM 5486 O GLU E 137 -38.752 41.147 -12.405 1.00 47.84 O +ATOM 5487 CB GLU E 137 -36.309 38.967 -13.113 1.00 38.25 C +ATOM 5488 CG GLU E 137 -35.709 39.681 -11.913 1.00 36.50 C +ATOM 5489 CD GLU E 137 -34.231 39.986 -12.082 1.00 42.12 C +ATOM 5490 OE1 GLU E 137 -33.573 39.465 -13.014 1.00 49.33 O +ATOM 5491 OE2 GLU E 137 -33.724 40.776 -11.279 1.00 44.95 O +ATOM 5492 N ILE E 138 -37.836 41.184 -14.465 1.00 48.32 N +ATOM 5493 CA ILE E 138 -38.121 42.595 -14.700 1.00 48.80 C +ATOM 5494 C ILE E 138 -39.609 42.858 -14.454 1.00 47.77 C +ATOM 5495 O ILE E 138 -39.991 43.749 -13.695 1.00 45.10 O +ATOM 5496 CB ILE E 138 -37.727 42.981 -16.140 1.00 47.34 C +ATOM 5497 N SER E 139 -40.442 42.028 -15.057 1.00 47.71 N +ATOM 5498 CA SER E 139 -41.874 42.159 -14.916 1.00 53.62 C +ATOM 5499 C SER E 139 -42.313 41.995 -13.467 1.00 55.08 C +ATOM 5500 O SER E 139 -42.934 42.882 -12.873 1.00 58.91 O +ATOM 5501 CB SER E 139 -42.553 41.097 -15.787 1.00 57.24 C +ATOM 5502 OG SER E 139 -43.937 41.004 -15.506 1.00 68.90 O +ATOM 5503 N HIS E 140 -41.914 40.866 -12.899 1.00 54.30 N +ATOM 5504 CA HIS E 140 -42.260 40.457 -11.545 1.00 50.32 C +ATOM 5505 C HIS E 140 -41.756 41.280 -10.364 1.00 48.48 C +ATOM 5506 O HIS E 140 -42.473 41.436 -9.371 1.00 52.35 O +ATOM 5507 CB HIS E 140 -41.851 38.988 -11.353 1.00 49.58 C +ATOM 5508 CG HIS E 140 -42.145 38.444 -9.989 1.00 51.88 C +ATOM 5509 ND1 HIS E 140 -43.428 38.262 -9.520 1.00 54.49 N +ATOM 5510 CD2 HIS E 140 -41.321 38.044 -8.996 1.00 55.64 C +ATOM 5511 CE1 HIS E 140 -43.381 37.776 -8.293 1.00 57.15 C +ATOM 5512 NE2 HIS E 140 -42.114 37.634 -7.949 1.00 56.42 N +ATOM 5513 N THR E 141 -40.531 41.779 -10.444 1.00 43.21 N +ATOM 5514 CA THR E 141 -39.964 42.513 -9.327 1.00 38.28 C +ATOM 5515 C THR E 141 -39.611 43.969 -9.593 1.00 39.28 C +ATOM 5516 O THR E 141 -39.419 44.735 -8.646 1.00 41.99 O +ATOM 5517 CB THR E 141 -38.697 41.803 -8.827 1.00 35.55 C +ATOM 5518 OG1 THR E 141 -37.717 41.817 -9.867 1.00 38.38 O +ATOM 5519 CG2 THR E 141 -38.995 40.351 -8.485 1.00 31.68 C +ATOM 5520 N GLN E 142 -39.484 44.337 -10.868 1.00 38.20 N +ATOM 5521 CA GLN E 142 -39.112 45.698 -11.285 1.00 38.06 C +ATOM 5522 C GLN E 142 -37.613 45.973 -11.148 1.00 35.67 C +ATOM 5523 O GLN E 142 -37.183 47.132 -11.186 1.00 35.59 O +ATOM 5524 CB GLN E 142 -39.918 46.791 -10.552 1.00 42.72 C +ATOM 5525 CG GLN E 142 -41.319 47.067 -11.129 1.00 52.90 C +ATOM 5526 CD GLN E 142 -42.402 46.172 -10.538 1.00 62.21 C +ATOM 5527 OE1 GLN E 142 -42.750 46.294 -9.357 1.00 65.80 O +ATOM 5528 NE2 GLN E 142 -42.959 45.285 -11.361 1.00 64.55 N +ATOM 5529 N LYS E 143 -36.829 44.906 -10.988 1.00 34.56 N +ATOM 5530 CA LYS E 143 -35.371 44.979 -10.868 1.00 31.17 C +ATOM 5531 C LYS E 143 -34.823 44.053 -11.952 1.00 33.21 C +ATOM 5532 O LYS E 143 -35.542 43.172 -12.438 1.00 37.17 O +ATOM 5533 CB LYS E 143 -34.906 44.514 -9.485 1.00 30.18 C +ATOM 5534 CG LYS E 143 -35.471 45.334 -8.352 1.00 30.71 C +ATOM 5535 CD LYS E 143 -35.045 44.831 -6.999 1.00 28.35 C +ATOM 5536 CE LYS E 143 -36.088 45.249 -5.974 1.00 30.80 C +ATOM 5537 NZ LYS E 143 -37.364 44.471 -6.184 1.00 41.37 N +ATOM 5538 N ALA E 144 -33.574 44.266 -12.358 1.00 33.23 N +ATOM 5539 CA ALA E 144 -32.952 43.465 -13.409 1.00 30.82 C +ATOM 5540 C ALA E 144 -31.602 42.978 -12.929 1.00 29.31 C +ATOM 5541 O ALA E 144 -30.757 43.777 -12.520 1.00 29.39 O +ATOM 5542 CB ALA E 144 -32.791 44.291 -14.680 1.00 28.59 C +ATOM 5543 N THR E 145 -31.407 41.666 -12.949 1.00 27.57 N +ATOM 5544 CA THR E 145 -30.146 41.108 -12.495 1.00 30.96 C +ATOM 5545 C THR E 145 -29.337 40.560 -13.648 1.00 31.61 C +ATOM 5546 O THR E 145 -29.778 39.635 -14.342 1.00 31.10 O +ATOM 5547 CB THR E 145 -30.341 39.944 -11.487 1.00 33.28 C +ATOM 5548 OG1 THR E 145 -31.323 40.286 -10.506 1.00 34.22 O +ATOM 5549 CG2 THR E 145 -29.044 39.646 -10.779 1.00 34.23 C +ATOM 5550 N LEU E 146 -28.176 41.163 -13.874 1.00 32.08 N +ATOM 5551 CA LEU E 146 -27.259 40.712 -14.915 1.00 28.77 C +ATOM 5552 C LEU E 146 -26.342 39.774 -14.162 1.00 26.49 C +ATOM 5553 O LEU E 146 -26.118 39.968 -12.976 1.00 31.33 O +ATOM 5554 CB LEU E 146 -26.430 41.881 -15.475 1.00 28.19 C +ATOM 5555 CG LEU E 146 -26.917 42.758 -16.643 1.00 27.80 C +ATOM 5556 CD1 LEU E 146 -28.170 43.502 -16.296 1.00 30.53 C +ATOM 5557 CD2 LEU E 146 -25.853 43.771 -16.987 1.00 27.03 C +ATOM 5558 N VAL E 147 -25.868 38.726 -14.817 1.00 27.28 N +ATOM 5559 CA VAL E 147 -24.959 37.787 -14.183 1.00 23.84 C +ATOM 5560 C VAL E 147 -23.742 37.538 -15.061 1.00 25.43 C +ATOM 5561 O VAL E 147 -23.863 37.253 -16.244 1.00 25.49 O +ATOM 5562 CB VAL E 147 -25.664 36.443 -13.786 1.00 27.54 C +ATOM 5563 CG1 VAL E 147 -26.662 36.045 -14.804 1.00 32.26 C +ATOM 5564 CG2 VAL E 147 -24.641 35.310 -13.600 1.00 26.57 C +ATOM 5565 N CYS E 148 -22.566 37.733 -14.484 1.00 26.81 N +ATOM 5566 CA CYS E 148 -21.324 37.523 -15.192 1.00 26.69 C +ATOM 5567 C CYS E 148 -20.860 36.110 -14.922 1.00 30.90 C +ATOM 5568 O CYS E 148 -21.043 35.607 -13.820 1.00 39.07 O +ATOM 5569 CB CYS E 148 -20.263 38.478 -14.684 1.00 23.83 C +ATOM 5570 SG CYS E 148 -18.740 38.270 -15.623 1.00 37.11 S +ATOM 5571 N LEU E 149 -20.212 35.482 -15.893 1.00 33.42 N +ATOM 5572 CA LEU E 149 -19.737 34.121 -15.701 1.00 32.82 C +ATOM 5573 C LEU E 149 -18.364 33.930 -16.324 1.00 35.73 C +ATOM 5574 O LEU E 149 -18.205 33.911 -17.553 1.00 38.04 O +ATOM 5575 CB LEU E 149 -20.736 33.118 -16.282 1.00 33.20 C +ATOM 5576 CG LEU E 149 -20.601 31.649 -15.875 1.00 29.52 C +ATOM 5577 CD1 LEU E 149 -20.541 31.546 -14.348 1.00 31.82 C +ATOM 5578 CD2 LEU E 149 -21.782 30.857 -16.435 1.00 25.92 C +ATOM 5579 N ALA E 150 -17.366 33.838 -15.454 1.00 34.21 N +ATOM 5580 CA ALA E 150 -15.987 33.639 -15.865 1.00 31.48 C +ATOM 5581 C ALA E 150 -15.726 32.161 -15.706 1.00 27.53 C +ATOM 5582 O ALA E 150 -15.992 31.617 -14.646 1.00 34.76 O +ATOM 5583 CB ALA E 150 -15.054 34.426 -14.962 1.00 25.34 C +ATOM 5584 N THR E 151 -15.244 31.497 -16.750 1.00 27.25 N +ATOM 5585 CA THR E 151 -14.964 30.069 -16.647 1.00 30.63 C +ATOM 5586 C THR E 151 -13.711 29.636 -17.384 1.00 25.98 C +ATOM 5587 O THR E 151 -13.107 30.421 -18.118 1.00 25.72 O +ATOM 5588 CB THR E 151 -16.137 29.194 -17.167 1.00 35.64 C +ATOM 5589 OG1 THR E 151 -16.256 29.337 -18.590 1.00 49.31 O +ATOM 5590 CG2 THR E 151 -17.439 29.587 -16.508 1.00 36.27 C +ATOM 5591 N GLY E 152 -13.275 28.416 -17.077 1.00 25.99 N +ATOM 5592 CA GLY E 152 -12.118 27.825 -17.725 1.00 24.30 C +ATOM 5593 C GLY E 152 -10.743 28.229 -17.255 1.00 26.73 C +ATOM 5594 O GLY E 152 -9.750 27.609 -17.652 1.00 27.77 O +ATOM 5595 N PHE E 153 -10.670 29.226 -16.385 1.00 25.50 N +ATOM 5596 CA PHE E 153 -9.378 29.673 -15.904 1.00 22.22 C +ATOM 5597 C PHE E 153 -8.667 28.793 -14.863 1.00 25.03 C +ATOM 5598 O PHE E 153 -9.277 28.088 -14.071 1.00 24.77 O +ATOM 5599 CB PHE E 153 -9.454 31.120 -15.401 1.00 24.57 C +ATOM 5600 CG PHE E 153 -10.326 31.316 -14.181 1.00 18.69 C +ATOM 5601 CD1 PHE E 153 -11.692 31.481 -14.313 1.00 17.40 C +ATOM 5602 CD2 PHE E 153 -9.773 31.375 -12.917 1.00 16.74 C +ATOM 5603 CE1 PHE E 153 -12.499 31.702 -13.214 1.00 19.16 C +ATOM 5604 CE2 PHE E 153 -10.574 31.596 -11.816 1.00 22.77 C +ATOM 5605 CZ PHE E 153 -11.942 31.759 -11.970 1.00 26.07 C +ATOM 5606 N TYR E 154 -7.349 28.830 -14.921 1.00 26.69 N +ATOM 5607 CA TYR E 154 -6.475 28.136 -14.010 1.00 28.69 C +ATOM 5608 C TYR E 154 -5.156 28.906 -14.154 1.00 32.54 C +ATOM 5609 O TYR E 154 -4.676 29.114 -15.263 1.00 35.00 O +ATOM 5610 CB TYR E 154 -6.296 26.665 -14.392 1.00 32.87 C +ATOM 5611 CG TYR E 154 -5.250 26.027 -13.519 1.00 40.98 C +ATOM 5612 CD1 TYR E 154 -5.576 25.501 -12.272 1.00 45.04 C +ATOM 5613 CD2 TYR E 154 -3.909 26.091 -13.869 1.00 45.63 C +ATOM 5614 CE1 TYR E 154 -4.589 25.063 -11.394 1.00 50.99 C +ATOM 5615 CE2 TYR E 154 -2.912 25.662 -12.999 1.00 52.68 C +ATOM 5616 CZ TYR E 154 -3.254 25.154 -11.762 1.00 52.49 C +ATOM 5617 OH TYR E 154 -2.256 24.771 -10.894 1.00 53.27 O +ATOM 5618 N PRO E 155 -4.541 29.359 -13.035 1.00 34.50 N +ATOM 5619 CA PRO E 155 -4.916 29.285 -11.613 1.00 30.53 C +ATOM 5620 C PRO E 155 -6.084 30.200 -11.260 1.00 29.16 C +ATOM 5621 O PRO E 155 -6.407 31.113 -12.011 1.00 31.71 O +ATOM 5622 CB PRO E 155 -3.631 29.734 -10.930 1.00 26.85 C +ATOM 5623 CG PRO E 155 -3.124 30.765 -11.875 1.00 28.08 C +ATOM 5624 CD PRO E 155 -3.276 30.082 -13.200 1.00 31.39 C +ATOM 5625 N ASP E 156 -6.705 29.971 -10.108 1.00 25.63 N +ATOM 5626 CA ASP E 156 -7.846 30.776 -9.676 1.00 25.61 C +ATOM 5627 C ASP E 156 -7.562 32.256 -9.327 1.00 25.96 C +ATOM 5628 O ASP E 156 -8.396 32.912 -8.699 1.00 32.69 O +ATOM 5629 CB ASP E 156 -8.561 30.094 -8.499 1.00 29.14 C +ATOM 5630 CG ASP E 156 -7.689 29.983 -7.246 1.00 35.32 C +ATOM 5631 OD1 ASP E 156 -6.444 29.843 -7.356 1.00 36.00 O +ATOM 5632 OD2 ASP E 156 -8.263 30.020 -6.137 1.00 37.89 O +ATOM 5633 N HIS E 157 -6.414 32.787 -9.746 1.00 17.37 N +ATOM 5634 CA HIS E 157 -6.051 34.178 -9.470 1.00 14.45 C +ATOM 5635 C HIS E 157 -6.869 35.162 -10.320 1.00 19.05 C +ATOM 5636 O HIS E 157 -6.443 35.542 -11.416 1.00 16.46 O +ATOM 5637 CB HIS E 157 -4.569 34.424 -9.783 1.00 17.30 C +ATOM 5638 CG HIS E 157 -3.617 33.511 -9.071 1.00 19.44 C +ATOM 5639 ND1 HIS E 157 -4.027 32.521 -8.202 1.00 22.15 N +ATOM 5640 CD2 HIS E 157 -2.261 33.437 -9.110 1.00 23.58 C +ATOM 5641 CE1 HIS E 157 -2.970 31.878 -7.736 1.00 22.77 C +ATOM 5642 NE2 HIS E 157 -1.887 32.415 -8.273 1.00 24.51 N +ATOM 5643 N VAL E 158 -8.036 35.574 -9.843 1.00 22.07 N +ATOM 5644 CA VAL E 158 -8.837 36.520 -10.616 1.00 25.72 C +ATOM 5645 C VAL E 158 -9.540 37.600 -9.815 1.00 28.40 C +ATOM 5646 O VAL E 158 -9.923 37.397 -8.663 1.00 30.82 O +ATOM 5647 CB VAL E 158 -9.931 35.830 -11.484 1.00 21.13 C +ATOM 5648 CG1 VAL E 158 -9.302 34.867 -12.503 1.00 15.84 C +ATOM 5649 CG2 VAL E 158 -10.981 35.179 -10.592 1.00 11.93 C +ATOM 5650 N GLU E 159 -9.781 38.716 -10.500 1.00 32.46 N +ATOM 5651 CA GLU E 159 -10.460 39.894 -9.967 1.00 27.84 C +ATOM 5652 C GLU E 159 -11.554 40.336 -10.954 1.00 22.63 C +ATOM 5653 O GLU E 159 -11.272 40.862 -12.028 1.00 26.91 O +ATOM 5654 CB GLU E 159 -9.452 41.041 -9.758 1.00 28.10 C +ATOM 5655 CG GLU E 159 -8.483 40.832 -8.610 1.00 32.98 C +ATOM 5656 CD GLU E 159 -7.334 41.826 -8.593 1.00 36.00 C +ATOM 5657 OE1 GLU E 159 -7.407 42.855 -9.287 1.00 38.25 O +ATOM 5658 OE2 GLU E 159 -6.343 41.572 -7.882 1.00 41.07 O +ATOM 5659 N LEU E 160 -12.800 40.084 -10.598 1.00 17.49 N +ATOM 5660 CA LEU E 160 -13.933 40.452 -11.427 1.00 25.49 C +ATOM 5661 C LEU E 160 -14.608 41.744 -10.925 1.00 28.88 C +ATOM 5662 O LEU E 160 -14.986 41.848 -9.749 1.00 30.27 O +ATOM 5663 CB LEU E 160 -14.932 39.283 -11.455 1.00 27.78 C +ATOM 5664 CG LEU E 160 -16.325 39.400 -12.083 1.00 24.65 C +ATOM 5665 CD1 LEU E 160 -16.889 38.022 -12.352 1.00 30.43 C +ATOM 5666 CD2 LEU E 160 -17.236 40.141 -11.170 1.00 29.65 C +ATOM 5667 N SER E 161 -14.781 42.713 -11.827 1.00 31.98 N +ATOM 5668 CA SER E 161 -15.419 43.989 -11.507 1.00 24.24 C +ATOM 5669 C SER E 161 -16.482 44.359 -12.534 1.00 31.95 C +ATOM 5670 O SER E 161 -16.406 43.961 -13.697 1.00 32.56 O +ATOM 5671 CB SER E 161 -14.381 45.110 -11.431 1.00 18.91 C +ATOM 5672 OG SER E 161 -13.550 45.164 -12.579 1.00 20.43 O +ATOM 5673 N TRP E 162 -17.492 45.096 -12.090 1.00 33.31 N +ATOM 5674 CA TRP E 162 -18.561 45.526 -12.972 1.00 30.09 C +ATOM 5675 C TRP E 162 -18.422 47.008 -13.303 1.00 33.54 C +ATOM 5676 O TRP E 162 -18.139 47.832 -12.429 1.00 33.81 O +ATOM 5677 CB TRP E 162 -19.916 45.272 -12.331 1.00 31.30 C +ATOM 5678 CG TRP E 162 -20.320 43.835 -12.313 1.00 28.67 C +ATOM 5679 CD1 TRP E 162 -20.075 42.929 -11.331 1.00 23.65 C +ATOM 5680 CD2 TRP E 162 -21.114 43.153 -13.307 1.00 29.58 C +ATOM 5681 NE1 TRP E 162 -20.672 41.728 -11.628 1.00 29.62 N +ATOM 5682 CE2 TRP E 162 -21.315 41.839 -12.838 1.00 28.77 C +ATOM 5683 CE3 TRP E 162 -21.670 43.528 -14.537 1.00 26.43 C +ATOM 5684 CZ2 TRP E 162 -22.055 40.894 -13.556 1.00 21.31 C +ATOM 5685 CZ3 TRP E 162 -22.408 42.589 -15.255 1.00 18.37 C +ATOM 5686 CH2 TRP E 162 -22.592 41.288 -14.759 1.00 23.38 C +ATOM 5687 N TRP E 163 -18.658 47.342 -14.569 1.00 35.78 N +ATOM 5688 CA TRP E 163 -18.552 48.713 -15.062 1.00 34.03 C +ATOM 5689 C TRP E 163 -19.758 49.128 -15.912 1.00 36.13 C +ATOM 5690 O TRP E 163 -20.065 48.481 -16.915 1.00 40.57 O +ATOM 5691 CB TRP E 163 -17.303 48.843 -15.927 1.00 29.00 C +ATOM 5692 CG TRP E 163 -16.008 48.478 -15.271 1.00 25.34 C +ATOM 5693 CD1 TRP E 163 -15.598 47.227 -14.865 1.00 19.97 C +ATOM 5694 CD2 TRP E 163 -14.894 49.344 -15.076 1.00 19.20 C +ATOM 5695 NE1 TRP E 163 -14.288 47.277 -14.452 1.00 18.80 N +ATOM 5696 CE2 TRP E 163 -13.830 48.560 -14.576 1.00 18.64 C +ATOM 5697 CE3 TRP E 163 -14.683 50.712 -15.297 1.00 15.54 C +ATOM 5698 CZ2 TRP E 163 -12.575 49.102 -14.302 1.00 25.44 C +ATOM 5699 CZ3 TRP E 163 -13.440 51.246 -15.024 1.00 15.62 C +ATOM 5700 CH2 TRP E 163 -12.398 50.443 -14.533 1.00 22.71 C +ATOM 5701 N VAL E 164 -20.404 50.232 -15.551 1.00 34.51 N +ATOM 5702 CA VAL E 164 -21.557 50.718 -16.308 1.00 35.57 C +ATOM 5703 C VAL E 164 -21.191 52.070 -16.886 1.00 36.47 C +ATOM 5704 O VAL E 164 -20.689 52.937 -16.169 1.00 40.91 O +ATOM 5705 CB VAL E 164 -22.816 50.868 -15.425 1.00 38.67 C +ATOM 5706 CG1 VAL E 164 -23.924 51.587 -16.187 1.00 35.13 C +ATOM 5707 CG2 VAL E 164 -23.304 49.499 -14.977 1.00 36.78 C +ATOM 5708 N ASN E 165 -21.422 52.242 -18.183 1.00 33.85 N +ATOM 5709 CA ASN E 165 -21.101 53.488 -18.865 1.00 29.08 C +ATOM 5710 C ASN E 165 -19.630 53.855 -18.647 1.00 30.67 C +ATOM 5711 O ASN E 165 -19.275 55.011 -18.419 1.00 32.40 O +ATOM 5712 CB ASN E 165 -22.055 54.622 -18.443 1.00 35.40 C +ATOM 5713 CG ASN E 165 -23.497 54.391 -18.918 1.00 39.55 C +ATOM 5714 OD1 ASN E 165 -23.752 53.498 -19.728 1.00 40.58 O +ATOM 5715 ND2 ASN E 165 -24.443 55.164 -18.384 1.00 34.70 N +ATOM 5716 N GLY E 166 -18.782 52.832 -18.701 1.00 30.86 N +ATOM 5717 CA GLY E 166 -17.352 53.013 -18.550 1.00 34.37 C +ATOM 5718 C GLY E 166 -16.835 53.276 -17.154 1.00 38.45 C +ATOM 5719 O GLY E 166 -15.637 53.200 -16.926 1.00 46.52 O +ATOM 5720 N LYS E 167 -17.718 53.537 -16.203 1.00 42.62 N +ATOM 5721 CA LYS E 167 -17.277 53.821 -14.844 1.00 42.86 C +ATOM 5722 C LYS E 167 -17.574 52.628 -13.948 1.00 40.91 C +ATOM 5723 O LYS E 167 -18.640 52.018 -14.051 1.00 39.58 O +ATOM 5724 CB LYS E 167 -17.978 55.079 -14.324 1.00 49.22 C +ATOM 5725 CG LYS E 167 -17.652 56.348 -15.108 1.00 58.00 C +ATOM 5726 CD LYS E 167 -18.901 57.191 -15.306 1.00 69.73 C +ATOM 5727 CE LYS E 167 -18.651 58.419 -16.178 1.00 72.22 C +ATOM 5728 NZ LYS E 167 -19.956 59.012 -16.618 1.00 74.32 N +ATOM 5729 N GLU E 168 -16.629 52.261 -13.093 1.00 39.53 N +ATOM 5730 CA GLU E 168 -16.872 51.128 -12.221 1.00 44.57 C +ATOM 5731 C GLU E 168 -18.071 51.337 -11.288 1.00 50.20 C +ATOM 5732 O GLU E 168 -18.430 52.473 -10.932 1.00 50.23 O +ATOM 5733 CB GLU E 168 -15.630 50.739 -11.427 1.00 40.63 C +ATOM 5734 CG GLU E 168 -15.772 49.355 -10.823 1.00 35.02 C +ATOM 5735 CD GLU E 168 -14.536 48.870 -10.100 1.00 46.22 C +ATOM 5736 OE1 GLU E 168 -13.471 49.540 -10.160 1.00 43.89 O +ATOM 5737 OE2 GLU E 168 -14.644 47.795 -9.466 1.00 49.27 O +ATOM 5738 N VAL E 169 -18.702 50.217 -10.936 1.00 51.90 N +ATOM 5739 CA VAL E 169 -19.873 50.179 -10.071 1.00 50.12 C +ATOM 5740 C VAL E 169 -19.616 49.194 -8.927 1.00 52.36 C +ATOM 5741 O VAL E 169 -18.902 48.195 -9.091 1.00 54.75 O +ATOM 5742 CB VAL E 169 -21.112 49.730 -10.881 1.00 48.39 C +ATOM 5743 CG1 VAL E 169 -22.281 49.431 -9.973 1.00 56.17 C +ATOM 5744 CG2 VAL E 169 -21.496 50.813 -11.864 1.00 53.38 C +ATOM 5745 N HIS E 170 -20.156 49.514 -7.755 1.00 52.31 N +ATOM 5746 CA HIS E 170 -20.008 48.669 -6.577 1.00 50.18 C +ATOM 5747 C HIS E 170 -21.348 48.276 -5.988 1.00 47.91 C +ATOM 5748 O HIS E 170 -21.489 47.181 -5.441 1.00 52.26 O +ATOM 5749 CB HIS E 170 -19.163 49.367 -5.517 1.00 51.72 C +ATOM 5750 CG HIS E 170 -17.713 49.410 -5.857 1.00 54.66 C +ATOM 5751 ND1 HIS E 170 -16.907 48.293 -5.792 1.00 54.23 N +ATOM 5752 CD2 HIS E 170 -16.934 50.414 -6.325 1.00 53.44 C +ATOM 5753 CE1 HIS E 170 -15.693 48.606 -6.210 1.00 57.28 C +ATOM 5754 NE2 HIS E 170 -15.682 49.886 -6.540 1.00 56.93 N +ATOM 5755 N SER E 171 -22.319 49.180 -6.087 1.00 43.63 N +ATOM 5756 CA SER E 171 -23.659 48.946 -5.567 1.00 42.14 C +ATOM 5757 C SER E 171 -24.335 47.875 -6.420 1.00 39.89 C +ATOM 5758 O SER E 171 -23.980 47.666 -7.587 1.00 39.29 O +ATOM 5759 CB SER E 171 -24.472 50.257 -5.606 1.00 47.78 C +ATOM 5760 OG SER E 171 -25.739 50.159 -4.959 1.00 51.13 O +ATOM 5761 N GLY E 172 -25.269 47.155 -5.815 1.00 35.76 N +ATOM 5762 CA GLY E 172 -25.987 46.135 -6.550 1.00 28.50 C +ATOM 5763 C GLY E 172 -25.184 44.929 -6.971 1.00 29.97 C +ATOM 5764 O GLY E 172 -25.767 43.941 -7.430 1.00 25.22 O +ATOM 5765 N VAL E 173 -23.861 44.987 -6.836 1.00 29.35 N +ATOM 5766 CA VAL E 173 -23.064 43.837 -7.218 1.00 32.45 C +ATOM 5767 C VAL E 173 -22.802 42.918 -6.047 1.00 34.32 C +ATOM 5768 O VAL E 173 -22.747 43.351 -4.887 1.00 33.57 O +ATOM 5769 CB VAL E 173 -21.736 44.181 -8.001 1.00 34.45 C +ATOM 5770 CG1 VAL E 173 -21.560 45.664 -8.192 1.00 35.15 C +ATOM 5771 CG2 VAL E 173 -20.520 43.558 -7.343 1.00 36.21 C +ATOM 5772 N SER E 174 -22.691 41.637 -6.391 1.00 35.30 N +ATOM 5773 CA SER E 174 -22.448 40.531 -5.475 1.00 34.55 C +ATOM 5774 C SER E 174 -21.583 39.544 -6.243 1.00 34.23 C +ATOM 5775 O SER E 174 -21.982 39.069 -7.295 1.00 36.07 O +ATOM 5776 CB SER E 174 -23.764 39.845 -5.123 1.00 32.86 C +ATOM 5777 OG SER E 174 -23.533 38.569 -4.557 1.00 36.14 O +ATOM 5778 N THR E 175 -20.446 39.167 -5.682 1.00 32.63 N +ATOM 5779 CA THR E 175 -19.554 38.255 -6.361 1.00 35.19 C +ATOM 5780 C THR E 175 -18.986 37.189 -5.428 1.00 36.42 C +ATOM 5781 O THR E 175 -18.503 37.502 -4.332 1.00 42.61 O +ATOM 5782 CB THR E 175 -18.425 39.066 -7.050 1.00 37.24 C +ATOM 5783 OG1 THR E 175 -17.369 38.198 -7.452 1.00 44.82 O +ATOM 5784 CG2 THR E 175 -17.877 40.126 -6.122 1.00 45.25 C +ATOM 5785 N ASP E 176 -19.060 35.930 -5.858 1.00 34.33 N +ATOM 5786 CA ASP E 176 -18.542 34.804 -5.079 1.00 36.93 C +ATOM 5787 C ASP E 176 -17.215 35.090 -4.403 1.00 41.23 C +ATOM 5788 O ASP E 176 -16.256 35.510 -5.047 1.00 45.16 O +ATOM 5789 CB ASP E 176 -18.342 33.597 -5.966 1.00 33.97 C +ATOM 5790 CG ASP E 176 -19.601 33.142 -6.592 1.00 37.17 C +ATOM 5791 OD1 ASP E 176 -20.676 33.441 -6.036 1.00 43.61 O +ATOM 5792 OD2 ASP E 176 -19.513 32.489 -7.647 1.00 40.93 O +ATOM 5793 N PRO E 177 -17.117 34.759 -3.110 1.00 43.39 N +ATOM 5794 CA PRO E 177 -15.906 34.974 -2.314 1.00 42.15 C +ATOM 5795 C PRO E 177 -14.738 34.139 -2.804 1.00 39.65 C +ATOM 5796 O PRO E 177 -13.581 34.533 -2.648 1.00 40.85 O +ATOM 5797 CB PRO E 177 -16.337 34.533 -0.916 1.00 44.05 C +ATOM 5798 CG PRO E 177 -17.825 34.723 -0.932 1.00 49.30 C +ATOM 5799 CD PRO E 177 -18.177 34.175 -2.286 1.00 46.82 C +ATOM 5800 N GLN E 178 -15.043 32.988 -3.397 1.00 34.72 N +ATOM 5801 CA GLN E 178 -14.005 32.099 -3.888 1.00 35.02 C +ATOM 5802 C GLN E 178 -14.490 31.332 -5.114 1.00 34.44 C +ATOM 5803 O GLN E 178 -15.648 30.936 -5.176 1.00 37.26 O +ATOM 5804 CB GLN E 178 -13.577 31.137 -2.772 1.00 38.19 C +ATOM 5805 N PRO E 179 -13.632 31.169 -6.132 1.00 35.86 N +ATOM 5806 CA PRO E 179 -13.995 30.450 -7.356 1.00 35.89 C +ATOM 5807 C PRO E 179 -14.213 28.952 -7.112 1.00 35.91 C +ATOM 5808 O PRO E 179 -13.543 28.342 -6.278 1.00 39.78 O +ATOM 5809 CB PRO E 179 -12.777 30.673 -8.268 1.00 36.07 C +ATOM 5810 CG PRO E 179 -12.146 31.935 -7.743 1.00 35.30 C +ATOM 5811 CD PRO E 179 -12.268 31.731 -6.256 1.00 38.16 C +ATOM 5812 N LEU E 180 -15.105 28.354 -7.882 1.00 35.16 N +ATOM 5813 CA LEU E 180 -15.381 26.933 -7.751 1.00 37.18 C +ATOM 5814 C LEU E 180 -14.641 26.093 -8.797 1.00 42.95 C +ATOM 5815 O LEU E 180 -14.603 26.443 -9.981 1.00 44.66 O +ATOM 5816 CB LEU E 180 -16.886 26.673 -7.843 1.00 41.74 C +ATOM 5817 CG LEU E 180 -17.678 27.339 -8.969 1.00 43.89 C +ATOM 5818 CD1 LEU E 180 -18.480 26.318 -9.744 1.00 46.05 C +ATOM 5819 CD2 LEU E 180 -18.589 28.395 -8.375 1.00 49.30 C +ATOM 5820 N LYS E 181 -14.021 25.002 -8.350 1.00 48.78 N +ATOM 5821 CA LYS E 181 -13.298 24.101 -9.255 1.00 49.94 C +ATOM 5822 C LYS E 181 -14.354 23.435 -10.134 1.00 51.63 C +ATOM 5823 O LYS E 181 -15.370 22.961 -9.619 1.00 54.48 O +ATOM 5824 CB LYS E 181 -12.514 23.046 -8.451 1.00 45.45 C +ATOM 5825 N GLU E 182 -14.130 23.395 -11.444 1.00 50.77 N +ATOM 5826 CA GLU E 182 -15.115 22.799 -12.339 1.00 53.46 C +ATOM 5827 C GLU E 182 -14.862 21.353 -12.777 1.00 52.35 C +ATOM 5828 O GLU E 182 -15.528 20.838 -13.671 1.00 51.14 O +ATOM 5829 CB GLU E 182 -15.390 23.715 -13.542 1.00 57.39 C +ATOM 5830 CG GLU E 182 -14.158 24.139 -14.312 1.00 59.98 C +ATOM 5831 CD GLU E 182 -14.449 25.056 -15.496 1.00 59.09 C +ATOM 5832 OE1 GLU E 182 -15.122 26.104 -15.331 1.00 55.68 O +ATOM 5833 OE2 GLU E 182 -13.963 24.730 -16.598 1.00 55.60 O +ATOM 5834 N GLN E 183 -13.900 20.701 -12.141 1.00 52.64 N +ATOM 5835 CA GLN E 183 -13.562 19.309 -12.413 1.00 53.65 C +ATOM 5836 C GLN E 183 -12.830 18.890 -11.142 1.00 55.92 C +ATOM 5837 O GLN E 183 -11.618 18.737 -11.148 1.00 58.86 O +ATOM 5838 CB GLN E 183 -12.630 19.213 -13.623 1.00 60.24 C +ATOM 5839 CG GLN E 183 -13.270 19.544 -14.987 1.00 70.83 C +ATOM 5840 CD GLN E 183 -14.247 18.473 -15.461 1.00 76.49 C +ATOM 5841 OE1 GLN E 183 -14.011 17.283 -15.270 1.00 81.95 O +ATOM 5842 NE2 GLN E 183 -15.347 18.891 -16.076 1.00 77.50 N +ATOM 5843 N PRO E 184 -13.570 18.714 -10.026 1.00 58.00 N +ATOM 5844 CA PRO E 184 -13.092 18.330 -8.686 1.00 58.74 C +ATOM 5845 C PRO E 184 -12.156 17.129 -8.565 1.00 61.20 C +ATOM 5846 O PRO E 184 -11.374 17.041 -7.622 1.00 61.02 O +ATOM 5847 CB PRO E 184 -14.390 18.094 -7.913 1.00 57.92 C +ATOM 5848 CG PRO E 184 -15.350 19.010 -8.580 1.00 59.13 C +ATOM 5849 CD PRO E 184 -15.042 18.772 -10.035 1.00 59.78 C +ATOM 5850 N ALA E 185 -12.260 16.186 -9.490 1.00 62.89 N +ATOM 5851 CA ALA E 185 -11.402 15.008 -9.459 1.00 63.45 C +ATOM 5852 C ALA E 185 -9.984 15.307 -9.965 1.00 63.48 C +ATOM 5853 O ALA E 185 -9.040 14.560 -9.699 1.00 63.27 O +ATOM 5854 CB ALA E 185 -12.031 13.909 -10.296 1.00 66.02 C +ATOM 5855 N LEU E 186 -9.829 16.430 -10.652 1.00 62.90 N +ATOM 5856 CA LEU E 186 -8.550 16.775 -11.233 1.00 64.60 C +ATOM 5857 C LEU E 186 -7.711 17.735 -10.444 1.00 65.29 C +ATOM 5858 O LEU E 186 -8.196 18.719 -9.893 1.00 62.16 O +ATOM 5859 CB LEU E 186 -8.756 17.314 -12.640 1.00 69.15 C +ATOM 5860 CG LEU E 186 -9.684 16.411 -13.453 1.00 76.10 C +ATOM 5861 CD1 LEU E 186 -9.944 17.038 -14.806 1.00 81.95 C +ATOM 5862 CD2 LEU E 186 -9.092 15.007 -13.592 1.00 79.47 C +ATOM 5863 N ASN E 187 -6.422 17.446 -10.445 1.00 70.87 N +ATOM 5864 CA ASN E 187 -5.431 18.251 -9.756 1.00 76.99 C +ATOM 5865 C ASN E 187 -5.375 19.604 -10.445 1.00 74.14 C +ATOM 5866 O ASN E 187 -5.589 20.644 -9.819 1.00 73.88 O +ATOM 5867 CB ASN E 187 -4.065 17.572 -9.859 1.00 87.27 C +ATOM 5868 CG ASN E 187 -4.136 16.087 -9.581 1.00 95.12 C +ATOM 5869 OD1 ASN E 187 -4.210 15.273 -10.506 1.00 99.74 O +ATOM 5870 ND2 ASN E 187 -4.154 15.726 -8.304 1.00100.00 N +ATOM 5871 N ASP E 188 -5.061 19.572 -11.737 1.00 70.33 N +ATOM 5872 CA ASP E 188 -4.983 20.779 -12.546 1.00 67.35 C +ATOM 5873 C ASP E 188 -6.411 21.018 -13.007 1.00 63.26 C +ATOM 5874 O ASP E 188 -6.801 20.590 -14.092 1.00 71.12 O +ATOM 5875 CB ASP E 188 -4.063 20.549 -13.742 1.00 73.02 C +ATOM 5876 N SER E 189 -7.201 21.657 -12.158 1.00 55.16 N +ATOM 5877 CA SER E 189 -8.595 21.909 -12.474 1.00 43.45 C +ATOM 5878 C SER E 189 -8.792 23.342 -12.871 1.00 39.88 C +ATOM 5879 O SER E 189 -8.040 24.214 -12.479 1.00 41.75 O +ATOM 5880 CB SER E 189 -9.494 21.587 -11.280 1.00 41.05 C +ATOM 5881 OG SER E 189 -10.872 21.735 -11.597 1.00 37.47 O +ATOM 5882 N ARG E 190 -9.840 23.568 -13.644 1.00 42.12 N +ATOM 5883 CA ARG E 190 -10.192 24.893 -14.111 1.00 40.34 C +ATOM 5884 C ARG E 190 -11.206 25.435 -13.101 1.00 38.51 C +ATOM 5885 O ARG E 190 -11.945 24.670 -12.469 1.00 40.37 O +ATOM 5886 CB ARG E 190 -10.796 24.822 -15.530 1.00 44.44 C +ATOM 5887 N TYR E 191 -11.257 26.753 -12.980 1.00 32.83 N +ATOM 5888 CA TYR E 191 -12.140 27.409 -12.046 1.00 28.54 C +ATOM 5889 C TYR E 191 -13.195 28.199 -12.777 1.00 30.92 C +ATOM 5890 O TYR E 191 -13.076 28.469 -13.974 1.00 30.70 O +ATOM 5891 CB TYR E 191 -11.326 28.327 -11.142 1.00 24.83 C +ATOM 5892 CG TYR E 191 -10.408 27.571 -10.223 1.00 24.85 C +ATOM 5893 CD1 TYR E 191 -10.859 27.129 -8.979 1.00 26.83 C +ATOM 5894 CD2 TYR E 191 -9.112 27.233 -10.616 1.00 21.89 C +ATOM 5895 CE1 TYR E 191 -10.049 26.363 -8.151 1.00 28.97 C +ATOM 5896 CE2 TYR E 191 -8.293 26.465 -9.799 1.00 25.07 C +ATOM 5897 CZ TYR E 191 -8.773 26.034 -8.562 1.00 29.25 C +ATOM 5898 OH TYR E 191 -7.979 25.292 -7.723 1.00 35.74 O +ATOM 5899 N ALA E 192 -14.245 28.538 -12.047 1.00 33.73 N +ATOM 5900 CA ALA E 192 -15.358 29.306 -12.573 1.00 37.45 C +ATOM 5901 C ALA E 192 -15.744 30.315 -11.507 1.00 38.25 C +ATOM 5902 O ALA E 192 -15.584 30.061 -10.317 1.00 42.58 O +ATOM 5903 CB ALA E 192 -16.530 28.384 -12.878 1.00 38.21 C +ATOM 5904 N LEU E 193 -16.276 31.450 -11.924 1.00 37.50 N +ATOM 5905 CA LEU E 193 -16.670 32.485 -10.984 1.00 35.58 C +ATOM 5906 C LEU E 193 -17.875 33.190 -11.554 1.00 37.31 C +ATOM 5907 O LEU E 193 -17.945 33.425 -12.757 1.00 44.49 O +ATOM 5908 CB LEU E 193 -15.548 33.504 -10.804 1.00 34.35 C +ATOM 5909 CG LEU E 193 -15.787 34.613 -9.769 1.00 31.52 C +ATOM 5910 CD1 LEU E 193 -15.653 34.054 -8.371 1.00 33.61 C +ATOM 5911 CD2 LEU E 193 -14.765 35.708 -9.957 1.00 34.41 C +ATOM 5912 N SER E 194 -18.828 33.514 -10.696 1.00 33.61 N +ATOM 5913 CA SER E 194 -20.016 34.213 -11.131 1.00 32.14 C +ATOM 5914 C SER E 194 -20.193 35.434 -10.256 1.00 28.92 C +ATOM 5915 O SER E 194 -19.608 35.527 -9.180 1.00 32.08 O +ATOM 5916 CB SER E 194 -21.253 33.312 -11.084 1.00 34.96 C +ATOM 5917 OG SER E 194 -21.406 32.710 -9.820 1.00 44.02 O +ATOM 5918 N SER E 195 -20.977 36.385 -10.739 1.00 26.26 N +ATOM 5919 CA SER E 195 -21.207 37.610 -10.016 1.00 21.80 C +ATOM 5920 C SER E 195 -22.517 38.182 -10.490 1.00 20.02 C +ATOM 5921 O SER E 195 -22.957 37.901 -11.594 1.00 22.95 O +ATOM 5922 CB SER E 195 -20.075 38.587 -10.296 1.00 26.65 C +ATOM 5923 OG SER E 195 -20.195 39.754 -9.505 1.00 41.43 O +ATOM 5924 N ARG E 196 -23.125 39.011 -9.665 1.00 18.97 N +ATOM 5925 CA ARG E 196 -24.388 39.596 -10.000 1.00 20.14 C +ATOM 5926 C ARG E 196 -24.316 41.096 -9.912 1.00 25.33 C +ATOM 5927 O ARG E 196 -23.500 41.638 -9.177 1.00 26.17 O +ATOM 5928 CB ARG E 196 -25.469 39.085 -9.048 1.00 18.43 C +ATOM 5929 CG ARG E 196 -26.215 37.870 -9.569 1.00 20.40 C +ATOM 5930 CD ARG E 196 -26.004 36.644 -8.695 1.00 26.04 C +ATOM 5931 NE ARG E 196 -24.651 36.112 -8.794 1.00 24.07 N +ATOM 5932 CZ ARG E 196 -24.003 35.548 -7.783 1.00 30.34 C +ATOM 5933 NH1 ARG E 196 -24.583 35.430 -6.589 1.00 32.87 N +ATOM 5934 NH2 ARG E 196 -22.747 35.162 -7.945 1.00 36.68 N +ATOM 5935 N LEU E 197 -25.129 41.752 -10.735 1.00 26.70 N +ATOM 5936 CA LEU E 197 -25.258 43.200 -10.746 1.00 24.10 C +ATOM 5937 C LEU E 197 -26.750 43.434 -10.910 1.00 22.93 C +ATOM 5938 O LEU E 197 -27.346 43.017 -11.902 1.00 24.58 O +ATOM 5939 CB LEU E 197 -24.488 43.836 -11.893 1.00 22.46 C +ATOM 5940 CG LEU E 197 -24.678 45.354 -11.961 1.00 27.21 C +ATOM 5941 CD1 LEU E 197 -24.256 46.007 -10.655 1.00 26.15 C +ATOM 5942 CD2 LEU E 197 -23.880 45.931 -13.123 1.00 30.24 C +ATOM 5943 N ARG E 198 -27.369 43.976 -9.872 1.00 25.52 N +ATOM 5944 CA ARG E 198 -28.798 44.239 -9.899 1.00 28.44 C +ATOM 5945 C ARG E 198 -29.015 45.732 -10.046 1.00 30.53 C +ATOM 5946 O ARG E 198 -28.384 46.544 -9.367 1.00 28.74 O +ATOM 5947 CB ARG E 198 -29.467 43.741 -8.616 1.00 29.37 C +ATOM 5948 CG ARG E 198 -30.998 43.762 -8.628 1.00 28.61 C +ATOM 5949 CD ARG E 198 -31.602 42.348 -8.662 1.00 32.86 C +ATOM 5950 NE ARG E 198 -32.472 42.065 -7.508 1.00 39.44 N +ATOM 5951 CZ ARG E 198 -33.571 41.310 -7.536 1.00 35.07 C +ATOM 5952 NH1 ARG E 198 -33.988 40.730 -8.649 1.00 38.71 N +ATOM 5953 NH2 ARG E 198 -34.287 41.169 -6.448 1.00 41.58 N +ATOM 5954 N VAL E 199 -29.898 46.087 -10.963 1.00 29.04 N +ATOM 5955 CA VAL E 199 -30.224 47.476 -11.216 1.00 27.71 C +ATOM 5956 C VAL E 199 -31.736 47.482 -11.316 1.00 31.55 C +ATOM 5957 O VAL E 199 -32.363 46.424 -11.240 1.00 30.87 O +ATOM 5958 CB VAL E 199 -29.597 47.974 -12.544 1.00 26.40 C +ATOM 5959 CG1 VAL E 199 -28.083 48.080 -12.408 1.00 18.93 C +ATOM 5960 CG2 VAL E 199 -29.926 47.021 -13.672 1.00 23.57 C +ATOM 5961 N SER E 200 -32.332 48.660 -11.429 1.00 33.67 N +ATOM 5962 CA SER E 200 -33.776 48.741 -11.553 1.00 33.19 C +ATOM 5963 C SER E 200 -34.115 48.396 -13.003 1.00 35.54 C +ATOM 5964 O SER E 200 -33.242 48.478 -13.875 1.00 39.85 O +ATOM 5965 CB SER E 200 -34.248 50.155 -11.199 1.00 37.05 C +ATOM 5966 OG SER E 200 -33.464 51.145 -11.856 1.00 52.55 O +ATOM 5967 N ALA E 201 -35.359 47.991 -13.261 1.00 34.81 N +ATOM 5968 CA ALA E 201 -35.801 47.652 -14.615 1.00 31.22 C +ATOM 5969 C ALA E 201 -35.640 48.896 -15.472 1.00 32.44 C +ATOM 5970 O ALA E 201 -35.156 48.842 -16.594 1.00 37.99 O +ATOM 5971 CB ALA E 201 -37.247 47.210 -14.602 1.00 29.94 C +ATOM 5972 N THR E 202 -36.044 50.020 -14.906 1.00 38.28 N +ATOM 5973 CA THR E 202 -35.941 51.322 -15.540 1.00 42.37 C +ATOM 5974 C THR E 202 -34.542 51.539 -16.106 1.00 43.35 C +ATOM 5975 O THR E 202 -34.381 51.947 -17.256 1.00 50.81 O +ATOM 5976 CB THR E 202 -36.210 52.414 -14.495 1.00 43.87 C +ATOM 5977 OG1 THR E 202 -37.616 52.527 -14.283 1.00 49.48 O +ATOM 5978 CG2 THR E 202 -35.620 53.748 -14.904 1.00 45.96 C +ATOM 5979 N PHE E 203 -33.538 51.232 -15.297 1.00 40.00 N +ATOM 5980 CA PHE E 203 -32.152 51.421 -15.680 1.00 34.91 C +ATOM 5981 C PHE E 203 -31.689 50.490 -16.788 1.00 34.25 C +ATOM 5982 O PHE E 203 -30.891 50.885 -17.645 1.00 35.13 O +ATOM 5983 CB PHE E 203 -31.267 51.255 -14.454 1.00 31.85 C +ATOM 5984 CG PHE E 203 -29.889 51.805 -14.626 1.00 34.22 C +ATOM 5985 CD1 PHE E 203 -28.886 51.038 -15.216 1.00 33.65 C +ATOM 5986 CD2 PHE E 203 -29.582 53.088 -14.184 1.00 32.38 C +ATOM 5987 CE1 PHE E 203 -27.591 51.543 -15.367 1.00 37.13 C +ATOM 5988 CE2 PHE E 203 -28.290 53.603 -14.329 1.00 35.98 C +ATOM 5989 CZ PHE E 203 -27.292 52.826 -14.921 1.00 32.94 C +ATOM 5990 N TRP E 204 -32.177 49.256 -16.766 1.00 32.31 N +ATOM 5991 CA TRP E 204 -31.791 48.269 -17.767 1.00 30.34 C +ATOM 5992 C TRP E 204 -32.470 48.552 -19.096 1.00 30.84 C +ATOM 5993 O TRP E 204 -31.868 48.394 -20.158 1.00 32.33 O +ATOM 5994 CB TRP E 204 -32.115 46.856 -17.268 1.00 22.11 C +ATOM 5995 CG TRP E 204 -32.192 45.840 -18.342 1.00 24.56 C +ATOM 5996 CD1 TRP E 204 -33.333 45.257 -18.841 1.00 27.25 C +ATOM 5997 CD2 TRP E 204 -31.103 45.296 -19.097 1.00 21.52 C +ATOM 5998 NE1 TRP E 204 -33.017 44.389 -19.868 1.00 23.72 N +ATOM 5999 CE2 TRP E 204 -31.657 44.390 -20.044 1.00 20.00 C +ATOM 6000 CE3 TRP E 204 -29.717 45.485 -19.074 1.00 22.12 C +ATOM 6001 CZ2 TRP E 204 -30.868 43.676 -20.954 1.00 14.66 C +ATOM 6002 CZ3 TRP E 204 -28.930 44.773 -19.988 1.00 17.34 C +ATOM 6003 CH2 TRP E 204 -29.511 43.882 -20.911 1.00 13.16 C +ATOM 6004 N GLN E 205 -33.713 49.012 -19.026 1.00 34.11 N +ATOM 6005 CA GLN E 205 -34.493 49.319 -20.216 1.00 38.84 C +ATOM 6006 C GLN E 205 -34.066 50.609 -20.946 1.00 43.20 C +ATOM 6007 O GLN E 205 -34.697 51.018 -21.928 1.00 44.25 O +ATOM 6008 CB GLN E 205 -35.967 49.401 -19.846 1.00 40.72 C +ATOM 6009 CG GLN E 205 -36.548 48.137 -19.255 1.00 38.39 C +ATOM 6010 CD GLN E 205 -37.944 48.365 -18.705 1.00 42.62 C +ATOM 6011 OE1 GLN E 205 -38.480 49.478 -18.765 1.00 44.01 O +ATOM 6012 NE2 GLN E 205 -38.542 47.314 -18.161 1.00 41.65 N +ATOM 6013 N ASP E 206 -33.016 51.261 -20.458 1.00 47.86 N +ATOM 6014 CA ASP E 206 -32.513 52.492 -21.071 1.00 48.86 C +ATOM 6015 C ASP E 206 -31.305 52.113 -21.952 1.00 45.19 C +ATOM 6016 O ASP E 206 -30.200 51.893 -21.450 1.00 45.74 O +ATOM 6017 CB ASP E 206 -32.108 53.483 -19.974 1.00 50.57 C +ATOM 6018 CG ASP E 206 -32.173 54.936 -20.428 1.00 56.89 C +ATOM 6019 OD1 ASP E 206 -32.192 55.210 -21.650 1.00 64.80 O +ATOM 6020 OD2 ASP E 206 -32.195 55.815 -19.542 1.00 62.15 O +ATOM 6021 N PRO E 207 -31.482 52.118 -23.282 1.00 41.60 N +ATOM 6022 CA PRO E 207 -30.432 51.765 -24.250 1.00 42.10 C +ATOM 6023 C PRO E 207 -29.114 52.535 -24.124 1.00 41.30 C +ATOM 6024 O PRO E 207 -28.095 52.151 -24.719 1.00 40.77 O +ATOM 6025 CB PRO E 207 -31.115 52.009 -25.596 1.00 44.41 C +ATOM 6026 CG PRO E 207 -32.581 51.843 -25.281 1.00 40.61 C +ATOM 6027 CD PRO E 207 -32.691 52.581 -23.982 1.00 38.36 C +ATOM 6028 N ARG E 208 -29.156 53.627 -23.367 1.00 39.13 N +ATOM 6029 CA ARG E 208 -27.989 54.467 -23.130 1.00 44.38 C +ATOM 6030 C ARG E 208 -27.002 53.818 -22.175 1.00 43.01 C +ATOM 6031 O ARG E 208 -25.841 54.211 -22.124 1.00 46.64 O +ATOM 6032 CB ARG E 208 -28.408 55.804 -22.516 1.00 43.12 C +ATOM 6033 CG ARG E 208 -29.148 56.720 -23.440 1.00 41.22 C +ATOM 6034 CD ARG E 208 -29.581 57.937 -22.691 1.00 43.62 C +ATOM 6035 NE ARG E 208 -31.017 58.123 -22.818 1.00 52.36 N +ATOM 6036 CZ ARG E 208 -31.693 59.124 -22.276 1.00 52.86 C +ATOM 6037 NH1 ARG E 208 -31.071 60.041 -21.547 1.00 46.90 N +ATOM 6038 NH2 ARG E 208 -32.990 59.237 -22.525 1.00 61.60 N +ATOM 6039 N ASN E 209 -27.485 52.874 -21.375 1.00 38.95 N +ATOM 6040 CA ASN E 209 -26.639 52.212 -20.402 1.00 32.04 C +ATOM 6041 C ASN E 209 -25.965 50.972 -20.947 1.00 28.21 C +ATOM 6042 O ASN E 209 -26.602 50.103 -21.543 1.00 27.76 O +ATOM 6043 CB ASN E 209 -27.438 51.904 -19.140 1.00 37.06 C +ATOM 6044 CG ASN E 209 -27.935 53.164 -18.449 1.00 36.23 C +ATOM 6045 OD1 ASN E 209 -27.161 54.092 -18.165 1.00 35.67 O +ATOM 6046 ND2 ASN E 209 -29.230 53.208 -18.179 1.00 28.46 N +ATOM 6047 N HIS E 210 -24.659 50.906 -20.733 1.00 24.68 N +ATOM 6048 CA HIS E 210 -23.824 49.812 -21.197 1.00 24.28 C +ATOM 6049 C HIS E 210 -23.269 49.177 -19.934 1.00 25.32 C +ATOM 6050 O HIS E 210 -22.764 49.874 -19.051 1.00 23.34 O +ATOM 6051 CB HIS E 210 -22.697 50.398 -22.075 1.00 25.68 C +ATOM 6052 CG HIS E 210 -21.698 49.398 -22.583 1.00 24.37 C +ATOM 6053 ND1 HIS E 210 -20.356 49.463 -22.269 1.00 29.16 N +ATOM 6054 CD2 HIS E 210 -21.831 48.349 -23.431 1.00 23.91 C +ATOM 6055 CE1 HIS E 210 -19.705 48.502 -22.901 1.00 26.81 C +ATOM 6056 NE2 HIS E 210 -20.578 47.812 -23.615 1.00 27.53 N +ATOM 6057 N PHE E 211 -23.395 47.861 -19.841 1.00 24.94 N +ATOM 6058 CA PHE E 211 -22.920 47.126 -18.677 1.00 24.22 C +ATOM 6059 C PHE E 211 -21.784 46.229 -19.120 1.00 26.66 C +ATOM 6060 O PHE E 211 -21.853 45.600 -20.179 1.00 19.47 O +ATOM 6061 CB PHE E 211 -24.053 46.296 -18.085 1.00 20.34 C +ATOM 6062 CG PHE E 211 -25.344 47.054 -17.950 1.00 19.11 C +ATOM 6063 CD1 PHE E 211 -26.192 47.210 -19.042 1.00 21.19 C +ATOM 6064 CD2 PHE E 211 -25.697 47.642 -16.747 1.00 13.95 C +ATOM 6065 CE1 PHE E 211 -27.371 47.949 -18.927 1.00 22.86 C +ATOM 6066 CE2 PHE E 211 -26.875 48.380 -16.624 1.00 12.91 C +ATOM 6067 CZ PHE E 211 -27.709 48.536 -17.710 1.00 17.35 C +ATOM 6068 N ARG E 212 -20.739 46.164 -18.305 1.00 28.52 N +ATOM 6069 CA ARG E 212 -19.589 45.365 -18.652 1.00 27.38 C +ATOM 6070 C ARG E 212 -18.942 44.651 -17.501 1.00 25.24 C +ATOM 6071 O ARG E 212 -18.438 45.267 -16.581 1.00 26.88 O +ATOM 6072 CB ARG E 212 -18.534 46.224 -19.332 1.00 29.35 C +ATOM 6073 CG ARG E 212 -17.316 45.430 -19.745 1.00 26.65 C +ATOM 6074 CD ARG E 212 -16.331 46.298 -20.470 1.00 27.39 C +ATOM 6075 NE ARG E 212 -15.062 46.349 -19.763 1.00 27.70 N +ATOM 6076 CZ ARG E 212 -14.539 47.463 -19.273 1.00 27.99 C +ATOM 6077 NH1 ARG E 212 -15.179 48.613 -19.431 1.00 24.47 N +ATOM 6078 NH2 ARG E 212 -13.404 47.415 -18.591 1.00 29.20 N +ATOM 6079 N CYS E 213 -18.900 43.336 -17.615 1.00 25.75 N +ATOM 6080 CA CYS E 213 -18.273 42.507 -16.623 1.00 29.15 C +ATOM 6081 C CYS E 213 -16.848 42.334 -17.058 1.00 28.16 C +ATOM 6082 O CYS E 213 -16.595 41.824 -18.140 1.00 37.13 O +ATOM 6083 CB CYS E 213 -18.891 41.127 -16.567 1.00 30.85 C +ATOM 6084 SG CYS E 213 -17.846 40.075 -15.526 1.00 45.75 S +ATOM 6085 N GLN E 214 -15.920 42.738 -16.211 1.00 31.44 N +ATOM 6086 CA GLN E 214 -14.501 42.628 -16.510 1.00 29.38 C +ATOM 6087 C GLN E 214 -13.855 41.650 -15.537 1.00 31.69 C +ATOM 6088 O GLN E 214 -14.170 41.656 -14.343 1.00 39.35 O +ATOM 6089 CB GLN E 214 -13.837 43.993 -16.358 1.00 22.82 C +ATOM 6090 CG GLN E 214 -12.360 43.912 -16.325 1.00 18.36 C +ATOM 6091 CD GLN E 214 -11.734 45.227 -15.999 1.00 30.13 C +ATOM 6092 OE1 GLN E 214 -11.962 46.228 -16.677 1.00 30.29 O +ATOM 6093 NE2 GLN E 214 -10.930 45.243 -14.946 1.00 38.29 N +ATOM 6094 N VAL E 215 -12.940 40.826 -16.023 1.00 22.15 N +ATOM 6095 CA VAL E 215 -12.285 39.885 -15.139 1.00 19.72 C +ATOM 6096 C VAL E 215 -10.814 39.959 -15.412 1.00 21.79 C +ATOM 6097 O VAL E 215 -10.401 39.817 -16.558 1.00 29.99 O +ATOM 6098 CB VAL E 215 -12.776 38.453 -15.385 1.00 18.46 C +ATOM 6099 CG1 VAL E 215 -11.912 37.465 -14.650 1.00 11.56 C +ATOM 6100 CG2 VAL E 215 -14.206 38.322 -14.922 1.00 20.49 C +ATOM 6101 N GLN E 216 -10.016 40.297 -14.405 1.00 23.48 N +ATOM 6102 CA GLN E 216 -8.594 40.347 -14.656 1.00 18.95 C +ATOM 6103 C GLN E 216 -7.948 39.070 -14.227 1.00 19.57 C +ATOM 6104 O GLN E 216 -8.108 38.634 -13.101 1.00 28.33 O +ATOM 6105 CB GLN E 216 -7.894 41.520 -14.018 1.00 17.92 C +ATOM 6106 CG GLN E 216 -6.400 41.370 -14.259 1.00 28.94 C +ATOM 6107 CD GLN E 216 -5.687 42.646 -14.578 1.00 31.19 C +ATOM 6108 OE1 GLN E 216 -4.594 42.614 -15.143 1.00 41.87 O +ATOM 6109 NE2 GLN E 216 -6.261 43.780 -14.174 1.00 39.83 N +ATOM 6110 N PHE E 217 -7.234 38.474 -15.167 1.00 23.25 N +ATOM 6111 CA PHE E 217 -6.551 37.216 -14.982 1.00 20.42 C +ATOM 6112 C PHE E 217 -5.068 37.444 -14.779 1.00 22.24 C +ATOM 6113 O PHE E 217 -4.456 38.287 -15.437 1.00 27.26 O +ATOM 6114 CB PHE E 217 -6.797 36.350 -16.220 1.00 25.71 C +ATOM 6115 CG PHE E 217 -5.985 35.113 -16.260 1.00 23.24 C +ATOM 6116 CD1 PHE E 217 -6.341 34.012 -15.488 1.00 24.98 C +ATOM 6117 CD2 PHE E 217 -4.833 35.059 -17.032 1.00 21.78 C +ATOM 6118 CE1 PHE E 217 -5.552 32.863 -15.481 1.00 28.62 C +ATOM 6119 CE2 PHE E 217 -4.037 33.919 -17.036 1.00 28.64 C +ATOM 6120 CZ PHE E 217 -4.393 32.816 -16.256 1.00 26.23 C +ATOM 6121 N TYR E 218 -4.499 36.718 -13.831 1.00 23.73 N +ATOM 6122 CA TYR E 218 -3.085 36.839 -13.545 1.00 24.77 C +ATOM 6123 C TYR E 218 -2.460 35.528 -13.980 1.00 26.52 C +ATOM 6124 O TYR E 218 -2.729 34.477 -13.395 1.00 31.25 O +ATOM 6125 CB TYR E 218 -2.863 37.123 -12.050 1.00 24.94 C +ATOM 6126 CG TYR E 218 -3.321 38.510 -11.609 1.00 17.17 C +ATOM 6127 CD1 TYR E 218 -4.658 38.767 -11.294 1.00 15.28 C +ATOM 6128 CD2 TYR E 218 -2.415 39.565 -11.537 1.00 18.42 C +ATOM 6129 CE1 TYR E 218 -5.077 40.035 -10.918 1.00 17.77 C +ATOM 6130 CE2 TYR E 218 -2.821 40.836 -11.162 1.00 18.14 C +ATOM 6131 CZ TYR E 218 -4.149 41.064 -10.855 1.00 20.13 C +ATOM 6132 OH TYR E 218 -4.527 42.327 -10.466 1.00 26.11 O +ATOM 6133 N GLY E 219 -1.632 35.603 -15.015 1.00 23.18 N +ATOM 6134 CA GLY E 219 -1.013 34.414 -15.562 1.00 24.76 C +ATOM 6135 C GLY E 219 0.475 34.543 -15.765 1.00 27.04 C +ATOM 6136 O GLY E 219 1.159 35.028 -14.866 1.00 34.67 O +ATOM 6137 N LEU E 220 0.974 34.135 -16.935 1.00 26.69 N +ATOM 6138 CA LEU E 220 2.415 34.185 -17.223 1.00 25.70 C +ATOM 6139 C LEU E 220 2.978 35.581 -17.474 1.00 27.34 C +ATOM 6140 O LEU E 220 2.256 36.521 -17.836 1.00 25.83 O +ATOM 6141 CB LEU E 220 2.797 33.268 -18.379 1.00 18.57 C +ATOM 6142 CG LEU E 220 2.213 31.865 -18.430 1.00 21.08 C +ATOM 6143 CD1 LEU E 220 2.998 31.093 -19.475 1.00 20.87 C +ATOM 6144 CD2 LEU E 220 2.310 31.187 -17.086 1.00 16.99 C +ATOM 6145 N SER E 221 4.289 35.688 -17.306 1.00 33.19 N +ATOM 6146 CA SER E 221 4.987 36.948 -17.456 1.00 42.91 C +ATOM 6147 C SER E 221 5.617 37.115 -18.815 1.00 48.69 C +ATOM 6148 O SER E 221 5.709 36.174 -19.610 1.00 43.97 O +ATOM 6149 CB SER E 221 6.079 37.089 -16.379 1.00 47.94 C +ATOM 6150 OG SER E 221 7.169 36.208 -16.613 1.00 51.70 O +ATOM 6151 N GLU E 222 6.151 38.313 -19.011 1.00 57.69 N +ATOM 6152 CA GLU E 222 6.819 38.685 -20.246 1.00 65.30 C +ATOM 6153 C GLU E 222 8.147 37.929 -20.383 1.00 70.12 C +ATOM 6154 O GLU E 222 8.835 38.059 -21.391 1.00 75.96 O +ATOM 6155 CB GLU E 222 7.049 40.204 -20.281 1.00 62.47 C +ATOM 6156 N ASN E 223 8.512 37.156 -19.362 1.00 73.13 N +ATOM 6157 CA ASN E 223 9.753 36.393 -19.397 1.00 74.60 C +ATOM 6158 C ASN E 223 9.515 34.884 -19.327 1.00 73.28 C +ATOM 6159 O ASN E 223 10.399 34.103 -19.679 1.00 73.09 O +ATOM 6160 CB ASN E 223 10.698 36.842 -18.265 1.00 74.75 C +ATOM 6161 N ASP E 224 8.339 34.467 -18.861 1.00 71.64 N +ATOM 6162 CA ASP E 224 8.053 33.037 -18.768 1.00 69.71 C +ATOM 6163 C ASP E 224 8.145 32.419 -20.157 1.00 67.48 C +ATOM 6164 O ASP E 224 7.709 33.016 -21.140 1.00 66.37 O +ATOM 6165 CB ASP E 224 6.673 32.781 -18.145 1.00 69.10 C +ATOM 6166 CG ASP E 224 6.764 32.319 -16.694 1.00 70.64 C +ATOM 6167 OD1 ASP E 224 7.119 31.137 -16.471 1.00 65.37 O +ATOM 6168 OD2 ASP E 224 6.481 33.132 -15.781 1.00 75.02 O +ATOM 6169 N GLU E 225 8.745 31.237 -20.240 1.00 66.09 N +ATOM 6170 CA GLU E 225 8.907 30.556 -21.524 1.00 61.81 C +ATOM 6171 C GLU E 225 7.617 29.901 -21.988 1.00 56.69 C +ATOM 6172 O GLU E 225 6.889 29.298 -21.198 1.00 53.66 O +ATOM 6173 CB GLU E 225 10.031 29.519 -21.447 1.00 64.25 C +ATOM 6174 N TRP E 226 7.354 30.002 -23.281 1.00 49.63 N +ATOM 6175 CA TRP E 226 6.153 29.422 -23.850 1.00 50.75 C +ATOM 6176 C TRP E 226 6.388 29.021 -25.304 1.00 58.30 C +ATOM 6177 O TRP E 226 6.334 29.857 -26.214 1.00 58.44 O +ATOM 6178 CB TRP E 226 5.015 30.431 -23.759 1.00 44.02 C +ATOM 6179 CG TRP E 226 3.692 29.892 -24.187 1.00 42.15 C +ATOM 6180 CD1 TRP E 226 3.069 30.106 -25.384 1.00 43.61 C +ATOM 6181 CD2 TRP E 226 2.800 29.092 -23.413 1.00 38.57 C +ATOM 6182 NE1 TRP E 226 1.840 29.496 -25.393 1.00 37.78 N +ATOM 6183 CE2 TRP E 226 1.646 28.869 -24.194 1.00 38.97 C +ATOM 6184 CE3 TRP E 226 2.860 28.543 -22.129 1.00 34.63 C +ATOM 6185 CZ2 TRP E 226 0.564 28.127 -23.731 1.00 39.06 C +ATOM 6186 CZ3 TRP E 226 1.784 27.805 -21.673 1.00 38.36 C +ATOM 6187 CH2 TRP E 226 0.650 27.604 -22.471 1.00 35.21 C +ATOM 6188 N THR E 227 6.627 27.737 -25.537 1.00 62.37 N +ATOM 6189 CA THR E 227 6.877 27.279 -26.899 1.00 67.59 C +ATOM 6190 C THR E 227 5.654 26.621 -27.529 1.00 67.46 C +ATOM 6191 O THR E 227 5.787 25.737 -28.378 1.00 67.39 O +ATOM 6192 CB THR E 227 8.075 26.326 -26.917 1.00 69.14 C +ATOM 6193 N GLN E 228 4.462 27.082 -27.162 1.00 63.83 N +ATOM 6194 CA GLN E 228 3.260 26.471 -27.704 1.00 63.45 C +ATOM 6195 C GLN E 228 2.434 27.277 -28.672 1.00 62.95 C +ATOM 6196 O GLN E 228 2.492 28.501 -28.691 1.00 65.43 O +ATOM 6197 CB GLN E 228 2.376 25.901 -26.609 1.00 60.95 C +ATOM 6198 CG GLN E 228 2.878 24.582 -26.105 1.00 64.64 C +ATOM 6199 CD GLN E 228 3.513 24.700 -24.753 1.00 74.18 C +ATOM 6200 OE1 GLN E 228 2.840 24.986 -23.769 1.00 81.73 O +ATOM 6201 NE2 GLN E 228 4.814 24.478 -24.684 1.00 77.88 N +ATOM 6202 N ASP E 229 1.642 26.543 -29.451 1.00 63.67 N +ATOM 6203 CA ASP E 229 0.785 27.102 -30.483 1.00 62.92 C +ATOM 6204 C ASP E 229 -0.409 27.954 -30.094 1.00 61.14 C +ATOM 6205 O ASP E 229 -0.909 28.721 -30.926 1.00 63.16 O +ATOM 6206 N ARG E 230 -0.910 27.805 -28.872 1.00 58.37 N +ATOM 6207 CA ARG E 230 -2.049 28.618 -28.453 1.00 51.51 C +ATOM 6208 C ARG E 230 -1.446 29.888 -27.904 1.00 47.43 C +ATOM 6209 O ARG E 230 -0.240 29.945 -27.679 1.00 45.78 O +ATOM 6210 CB ARG E 230 -2.883 27.919 -27.383 1.00 51.08 C +ATOM 6211 CG ARG E 230 -2.261 27.891 -26.015 1.00 59.64 C +ATOM 6212 CD ARG E 230 -3.179 27.220 -25.019 1.00 64.70 C +ATOM 6213 NE ARG E 230 -2.728 27.449 -23.654 1.00 73.92 N +ATOM 6214 CZ ARG E 230 -2.906 26.598 -22.648 1.00 75.68 C +ATOM 6215 NH1 ARG E 230 -3.515 25.439 -22.841 1.00 78.64 N +ATOM 6216 NH2 ARG E 230 -2.452 26.898 -21.443 1.00 77.88 N +ATOM 6217 N ALA E 231 -2.268 30.910 -27.702 1.00 46.41 N +ATOM 6218 CA ALA E 231 -1.764 32.173 -27.167 1.00 45.02 C +ATOM 6219 C ALA E 231 -1.254 31.985 -25.716 1.00 47.69 C +ATOM 6220 O ALA E 231 -1.894 31.287 -24.898 1.00 52.24 O +ATOM 6221 CB ALA E 231 -2.855 33.246 -27.235 1.00 31.80 C +ATOM 6222 N LYS E 232 -0.070 32.535 -25.434 1.00 44.17 N +ATOM 6223 CA LYS E 232 0.551 32.471 -24.109 1.00 37.75 C +ATOM 6224 C LYS E 232 -0.496 32.980 -23.125 1.00 38.11 C +ATOM 6225 O LYS E 232 -1.025 34.083 -23.299 1.00 39.57 O +ATOM 6226 CB LYS E 232 1.778 33.376 -24.105 1.00 30.00 C +ATOM 6227 CG LYS E 232 2.787 33.132 -23.024 1.00 23.52 C +ATOM 6228 CD LYS E 232 3.965 34.022 -23.305 1.00 27.42 C +ATOM 6229 CE LYS E 232 5.036 33.934 -22.253 1.00 39.95 C +ATOM 6230 NZ LYS E 232 6.184 34.821 -22.587 1.00 41.97 N +ATOM 6231 N PRO E 233 -0.798 32.196 -22.075 1.00 39.08 N +ATOM 6232 CA PRO E 233 -1.801 32.550 -21.053 1.00 39.53 C +ATOM 6233 C PRO E 233 -1.345 33.658 -20.103 1.00 40.62 C +ATOM 6234 O PRO E 233 -1.499 33.554 -18.889 1.00 43.89 O +ATOM 6235 CB PRO E 233 -2.006 31.236 -20.293 1.00 40.54 C +ATOM 6236 CG PRO E 233 -1.127 30.196 -21.026 1.00 40.58 C +ATOM 6237 CD PRO E 233 -0.053 30.996 -21.668 1.00 34.54 C +ATOM 6238 N VAL E 234 -0.838 34.741 -20.675 1.00 36.88 N +ATOM 6239 CA VAL E 234 -0.321 35.870 -19.922 1.00 29.32 C +ATOM 6240 C VAL E 234 -1.378 36.669 -19.140 1.00 29.79 C +ATOM 6241 O VAL E 234 -2.588 36.514 -19.350 1.00 24.16 O +ATOM 6242 CB VAL E 234 0.428 36.818 -20.881 1.00 24.71 C +ATOM 6243 CG1 VAL E 234 1.670 36.159 -21.424 1.00 18.34 C +ATOM 6244 CG2 VAL E 234 -0.475 37.203 -22.025 1.00 18.73 C +ATOM 6245 N THR E 235 -0.901 37.500 -18.213 1.00 33.10 N +ATOM 6246 CA THR E 235 -1.774 38.362 -17.419 1.00 35.05 C +ATOM 6247 C THR E 235 -2.518 39.253 -18.407 1.00 31.91 C +ATOM 6248 O THR E 235 -1.902 39.985 -19.199 1.00 36.30 O +ATOM 6249 CB THR E 235 -0.977 39.267 -16.454 1.00 35.67 C +ATOM 6250 OG1 THR E 235 -0.171 38.462 -15.588 1.00 43.14 O +ATOM 6251 CG2 THR E 235 -1.928 40.114 -15.611 1.00 41.12 C +ATOM 6252 N GLN E 236 -3.839 39.239 -18.306 1.00 30.61 N +ATOM 6253 CA GLN E 236 -4.687 39.995 -19.210 1.00 23.69 C +ATOM 6254 C GLN E 236 -6.062 40.202 -18.596 1.00 21.04 C +ATOM 6255 O GLN E 236 -6.394 39.592 -17.586 1.00 24.78 O +ATOM 6256 CB GLN E 236 -4.830 39.186 -20.497 1.00 24.73 C +ATOM 6257 CG GLN E 236 -5.180 37.733 -20.220 1.00 25.02 C +ATOM 6258 CD GLN E 236 -5.264 36.881 -21.460 1.00 25.90 C +ATOM 6259 OE1 GLN E 236 -6.305 36.834 -22.129 1.00 28.89 O +ATOM 6260 NE2 GLN E 236 -4.198 36.143 -21.741 1.00 21.45 N +ATOM 6261 N ILE E 237 -6.857 41.054 -19.231 1.00 18.74 N +ATOM 6262 CA ILE E 237 -8.214 41.353 -18.800 1.00 18.88 C +ATOM 6263 C ILE E 237 -9.113 40.816 -19.903 1.00 25.58 C +ATOM 6264 O ILE E 237 -8.880 41.085 -21.084 1.00 30.45 O +ATOM 6265 CB ILE E 237 -8.453 42.879 -18.679 1.00 14.14 C +ATOM 6266 CG1 ILE E 237 -7.634 43.474 -17.543 1.00 14.59 C +ATOM 6267 CG2 ILE E 237 -9.902 43.169 -18.466 1.00 8.96 C +ATOM 6268 CD1 ILE E 237 -7.756 44.976 -17.449 1.00 16.72 C +ATOM 6269 N VAL E 238 -10.127 40.049 -19.512 1.00 26.23 N +ATOM 6270 CA VAL E 238 -11.070 39.459 -20.449 1.00 22.65 C +ATOM 6271 C VAL E 238 -12.446 39.926 -20.006 1.00 26.98 C +ATOM 6272 O VAL E 238 -12.857 39.641 -18.881 1.00 28.48 O +ATOM 6273 CB VAL E 238 -11.028 37.922 -20.377 1.00 23.60 C +ATOM 6274 CG1 VAL E 238 -11.930 37.322 -21.440 1.00 24.32 C +ATOM 6275 CG2 VAL E 238 -9.598 37.416 -20.531 1.00 17.21 C +ATOM 6276 N SER E 239 -13.141 40.662 -20.871 1.00 27.57 N +ATOM 6277 CA SER E 239 -14.465 41.179 -20.547 1.00 24.47 C +ATOM 6278 C SER E 239 -15.578 40.664 -21.447 1.00 22.92 C +ATOM 6279 O SER E 239 -15.335 40.035 -22.475 1.00 24.93 O +ATOM 6280 CB SER E 239 -14.468 42.710 -20.634 1.00 21.55 C +ATOM 6281 OG SER E 239 -13.196 43.259 -20.340 1.00 30.36 O +ATOM 6282 N ALA E 240 -16.799 41.009 -21.061 1.00 20.03 N +ATOM 6283 CA ALA E 240 -18.009 40.677 -21.787 1.00 15.10 C +ATOM 6284 C ALA E 240 -18.910 41.860 -21.490 1.00 18.64 C +ATOM 6285 O ALA E 240 -18.699 42.550 -20.500 1.00 17.77 O +ATOM 6286 CB ALA E 240 -18.613 39.422 -21.232 1.00 22.74 C +ATOM 6287 N GLU E 241 -19.911 42.109 -22.322 1.00 23.72 N +ATOM 6288 CA GLU E 241 -20.792 43.242 -22.070 1.00 26.08 C +ATOM 6289 C GLU E 241 -22.217 43.018 -22.465 1.00 23.72 C +ATOM 6290 O GLU E 241 -22.565 41.943 -22.939 1.00 35.20 O +ATOM 6291 CB GLU E 241 -20.277 44.490 -22.773 1.00 33.76 C +ATOM 6292 CG GLU E 241 -20.265 44.413 -24.266 1.00 38.97 C +ATOM 6293 CD GLU E 241 -19.177 45.276 -24.857 1.00 50.16 C +ATOM 6294 OE1 GLU E 241 -18.062 45.326 -24.279 1.00 55.63 O +ATOM 6295 OE2 GLU E 241 -19.431 45.900 -25.902 1.00 48.67 O +ATOM 6296 N ALA E 242 -23.046 44.030 -22.228 1.00 22.27 N +ATOM 6297 CA ALA E 242 -24.468 43.995 -22.573 1.00 23.85 C +ATOM 6298 C ALA E 242 -24.993 45.429 -22.705 1.00 26.96 C +ATOM 6299 O ALA E 242 -24.430 46.347 -22.101 1.00 32.88 O +ATOM 6300 CB ALA E 242 -25.247 43.240 -21.520 1.00 21.26 C +ATOM 6301 N TRP E 243 -26.023 45.631 -23.528 1.00 30.58 N +ATOM 6302 CA TRP E 243 -26.611 46.964 -23.715 1.00 34.16 C +ATOM 6303 C TRP E 243 -28.045 47.022 -23.267 1.00 35.09 C +ATOM 6304 O TRP E 243 -28.808 46.077 -23.508 1.00 32.94 O +ATOM 6305 CB TRP E 243 -26.574 47.427 -25.179 1.00 32.98 C +ATOM 6306 CG TRP E 243 -25.329 48.129 -25.564 1.00 36.15 C +ATOM 6307 CD1 TRP E 243 -25.097 49.490 -25.576 1.00 39.43 C +ATOM 6308 CD2 TRP E 243 -24.141 47.514 -26.045 1.00 41.58 C +ATOM 6309 NE1 TRP E 243 -23.824 49.745 -26.049 1.00 42.49 N +ATOM 6310 CE2 TRP E 243 -23.222 48.551 -26.349 1.00 45.69 C +ATOM 6311 CE3 TRP E 243 -23.760 46.179 -26.259 1.00 43.43 C +ATOM 6312 CZ2 TRP E 243 -21.948 48.290 -26.855 1.00 51.56 C +ATOM 6313 CZ3 TRP E 243 -22.493 45.919 -26.761 1.00 50.41 C +ATOM 6314 CH2 TRP E 243 -21.604 46.972 -27.059 1.00 55.68 C +ATOM 6315 N GLY E 244 -28.403 48.166 -22.678 1.00 37.75 N +ATOM 6316 CA GLY E 244 -29.754 48.417 -22.203 1.00 41.05 C +ATOM 6317 C GLY E 244 -30.772 48.193 -23.304 1.00 43.25 C +ATOM 6318 O GLY E 244 -30.788 48.896 -24.324 1.00 44.17 O +ATOM 6319 N ARG E 245 -31.589 47.166 -23.106 1.00 43.53 N +ATOM 6320 CA ARG E 245 -32.618 46.771 -24.052 1.00 45.66 C +ATOM 6321 C ARG E 245 -33.919 47.424 -23.675 1.00 48.56 C +ATOM 6322 O ARG E 245 -33.957 48.320 -22.848 1.00 50.45 O +ATOM 6323 CB ARG E 245 -32.791 45.251 -24.014 1.00 51.43 C +ATOM 6324 CG ARG E 245 -32.792 44.579 -25.371 1.00 57.36 C +ATOM 6325 CD ARG E 245 -32.534 43.077 -25.251 1.00 65.13 C +ATOM 6326 NE ARG E 245 -31.946 42.556 -26.488 1.00 80.58 N +ATOM 6327 CZ ARG E 245 -32.602 41.859 -27.420 1.00 85.23 C +ATOM 6328 NH1 ARG E 245 -33.887 41.565 -27.270 1.00 88.76 N +ATOM 6329 NH2 ARG E 245 -31.982 41.503 -28.540 1.00 86.11 N +ATOM 6330 N ALA E 246 -34.984 46.938 -24.293 1.00 55.77 N +ATOM 6331 CA ALA E 246 -36.351 47.394 -24.085 1.00 61.41 C +ATOM 6332 C ALA E 246 -37.116 46.470 -25.033 1.00 66.24 C +ATOM 6333 O ALA E 246 -37.460 46.843 -26.148 1.00 71.86 O +ATOM 6334 CB ALA E 246 -36.507 48.866 -24.493 1.00 53.49 C +ATOM 6335 N ASP E 247 -37.224 45.213 -24.623 1.00 72.86 N +ATOM 6336 CA ASP E 247 -37.894 44.171 -25.396 1.00 78.45 C +ATOM 6337 C ASP E 247 -39.404 44.408 -25.446 1.00 79.67 C +ATOM 6338 O ASP E 247 -39.931 45.095 -24.540 1.00 80.65 O +ATOM 6339 CB ASP E 247 -37.614 42.787 -24.777 1.00 85.31 C +ATOM 6340 CG ASP E 247 -36.120 42.518 -24.543 1.00 91.37 C +ATOM 6341 OD1 ASP E 247 -35.428 43.361 -23.927 1.00 95.67 O +ATOM 6342 OD2 ASP E 247 -35.643 41.432 -24.943 1.00 93.36 O +ATOM 6343 OXT ASP E 247 -40.047 43.878 -26.378 1.00 79.42 O +TER 6344 ASP E 247 +HETATM 6345 O HOH A 276 7.217 35.428 22.562 1.00 28.62 O +HETATM 6346 O HOH A 277 12.050 60.881 40.561 1.00 34.79 O +HETATM 6347 O HOH A 278 22.786 27.812 42.491 1.00 72.01 O +HETATM 6348 O HOH A 279 11.859 29.074 33.098 1.00 39.93 O +HETATM 6349 O HOH A 280 46.880 40.024 71.151 1.00 61.52 O +HETATM 6350 O HOH A 281 21.866 30.691 46.388 1.00 60.38 O +HETATM 6351 O HOH A 282 7.026 21.439 29.062 1.00 38.38 O +HETATM 6352 O HOH A 283 9.626 59.738 41.270 1.00 51.40 O +HETATM 6353 O HOH A 284 18.451 22.306 47.056 1.00 44.13 O +HETATM 6354 O HOH B 100 45.543 18.503 43.746 1.00 74.42 O +HETATM 6355 O HOH B 101 26.108 28.142 38.952 1.00 48.63 O +HETATM 6356 O HOH B 102 26.418 39.409 47.615 1.00 64.93 O +HETATM 6357 O HOH B 103 49.310 28.293 47.981 1.00 75.38 O +HETATM 6358 O HOH B 104 55.103 28.475 43.014 1.00 72.85 O +HETATM 6359 O HOH D 211 -26.098 36.480 4.397 1.00 46.51 O +HETATM 6360 O HOH D 212 14.304 36.887 20.928 1.00 24.67 O +HETATM 6361 O HOH D 213 -4.151 44.070 13.264 1.00 34.02 O +HETATM 6362 O HOH D 214 -34.440 40.274 -1.266 1.00 51.73 O +HETATM 6363 O HOH D 215 -29.272 43.637 17.090 1.00 80.31 O +HETATM 6364 O HOH D 216 16.629 38.434 20.359 1.00 57.17 O +HETATM 6365 O HOH D 217 -1.851 38.540 29.612 1.00 42.98 O +HETATM 6366 O HOH D 218 -36.572 33.386 -16.241 1.00 46.94 O +HETATM 6367 O HOH D 219 -36.551 30.170 -16.320 1.00 69.80 O +HETATM 6368 O HOH D 220 -38.674 27.723 -14.300 1.00 54.08 O +HETATM 6369 O HOH D 221 -12.690 36.421 4.615 1.00 62.86 O +HETATM 6370 O HOH D 222 -17.115 25.724 23.647 1.00 51.58 O +HETATM 6371 O HOH D 223 -10.717 43.420 13.702 1.00 54.55 O +HETATM 6372 O HOH E 248 -7.834 28.401 2.800 1.00 73.15 O +HETATM 6373 O HOH E 249 18.462 26.705 2.659 1.00 24.55 O +HETATM 6374 O HOH E 250 16.103 42.466 4.755 1.00 56.84 O +HETATM 6375 O HOH E 251 -23.183 32.818 -5.532 1.00 27.76 O +HETATM 6376 O HOH E 252 0.378 47.513 18.019 1.00 34.80 O +HETATM 6377 O HOH E 253 -2.632 44.002 -12.246 1.00 64.89 O +HETATM 6378 O HOH E 254 -9.132 25.391 -19.867 1.00 24.59 O +HETATM 6379 O HOH E 255 -37.533 52.929 -19.212 1.00 57.34 O +HETATM 6380 O HOH E 256 16.783 32.406 -8.683 1.00 73.10 O +HETATM 6381 O HOH E 257 -10.858 27.299 2.616 1.00 63.18 O +HETATM 6382 O HOH E 258 -11.731 43.369 -12.769 1.00 34.61 O +HETATM 6383 O HOH E 259 3.361 39.263 -10.471 1.00 56.34 O +CONECT 807 1323 +CONECT 1323 807 +CONECT 1630 2062 +CONECT 2062 1630 +CONECT 2386 2829 +CONECT 2829 2386 +CONECT 3223 3754 +CONECT 3754 3223 +CONECT 4038 4391 +CONECT 4391 4038 +CONECT 4651 5170 +CONECT 5170 4651 +CONECT 5570 6084 +CONECT 6084 5570 +MASTER 361 0 0 14 53 0 0 6 6378 5 14 66 +END diff --git a/tmp/mmcif.py b/tmp/mmcif.py new file mode 100644 index 00000000000..01a193396f3 --- /dev/null +++ b/tmp/mmcif.py @@ -0,0 +1,18 @@ +import MDAnalysis as mda +from io import StringIO +from pathlib import Path +from MDAnalysis.lib.util import NamedStream + +u = mda.Universe( + NamedStream( + StringIO(open("/home/law/workspace/mdanalysis/tmp/1BD2.cif").read()), + "tmp.cif", + ), + format="mmcif", +) + +tmp_brk = u.select_atoms(f"resid 54 and segid D") + +print(tmp_brk) + +print(tmp_brk.select_atoms("name CA")) From 959d78bc9edb2b1241a6b272b455941aad048d81 Mon Sep 17 00:00:00 2001 From: ljwoods2 Date: Sat, 15 Nov 2025 18:36:52 -0700 Subject: [PATCH 113/133] remove tmp test files --- tmp/1BD2.cif | 10386 ---------------------------------------------- tmp/1BD2.mmjson | 732 ---- tmp/1BD2.pdb | 7044 ------------------------------- tmp/mmcif.py | 18 - 4 files changed, 18180 deletions(-) delete mode 100644 tmp/1BD2.cif delete mode 100644 tmp/1BD2.mmjson delete mode 100644 tmp/1BD2.pdb delete mode 100644 tmp/mmcif.py diff --git a/tmp/1BD2.cif b/tmp/1BD2.cif deleted file mode 100644 index 7c74eeb205d..00000000000 --- a/tmp/1BD2.cif +++ /dev/null @@ -1,10386 +0,0 @@ -data_1BD2 -# -_entry.id 1BD2 -# -_audit_conform.dict_name mmcif_pdbx.dic -_audit_conform.dict_version 5.397 -_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic -# -loop_ -_database_2.database_id -_database_2.database_code -_database_2.pdbx_database_accession -_database_2.pdbx_DOI -PDB 1BD2 pdb_00001bd2 10.2210/pdb1bd2/pdb -WWPDB D_1000171609 ? ? -# -loop_ -_pdbx_audit_revision_history.ordinal -_pdbx_audit_revision_history.data_content_type -_pdbx_audit_revision_history.major_revision -_pdbx_audit_revision_history.minor_revision -_pdbx_audit_revision_history.revision_date -1 'Structure model' 1 0 1998-08-19 -2 'Structure model' 1 1 2008-03-24 -3 'Structure model' 1 2 2011-07-13 -4 'Structure model' 1 3 2012-12-12 -5 'Structure model' 1 4 2013-03-13 -6 'Structure model' 1 5 2016-05-25 -7 'Structure model' 1 6 2023-08-02 -8 'Structure model' 1 7 2024-10-23 -# -_pdbx_audit_revision_details.ordinal 1 -_pdbx_audit_revision_details.revision_ordinal 1 -_pdbx_audit_revision_details.data_content_type 'Structure model' -_pdbx_audit_revision_details.provider repository -_pdbx_audit_revision_details.type 'Initial release' -_pdbx_audit_revision_details.description ? -_pdbx_audit_revision_details.details ? -# -loop_ -_pdbx_audit_revision_group.ordinal -_pdbx_audit_revision_group.revision_ordinal -_pdbx_audit_revision_group.data_content_type -_pdbx_audit_revision_group.group -1 2 'Structure model' 'Version format compliance' -2 3 'Structure model' 'Version format compliance' -3 4 'Structure model' Other -4 5 'Structure model' Other -5 6 'Structure model' 'Structure summary' -6 7 'Structure model' 'Database references' -7 7 'Structure model' 'Refinement description' -8 8 'Structure model' 'Data collection' -9 8 'Structure model' 'Structure summary' -# -loop_ -_pdbx_audit_revision_category.ordinal -_pdbx_audit_revision_category.revision_ordinal -_pdbx_audit_revision_category.data_content_type -_pdbx_audit_revision_category.category -1 7 'Structure model' database_2 -2 7 'Structure model' pdbx_initial_refinement_model -3 7 'Structure model' struct_ref_seq_dif -4 8 'Structure model' chem_comp_atom -5 8 'Structure model' chem_comp_bond -6 8 'Structure model' pdbx_entry_details -7 8 'Structure model' pdbx_modification_feature -# -loop_ -_pdbx_audit_revision_item.ordinal -_pdbx_audit_revision_item.revision_ordinal -_pdbx_audit_revision_item.data_content_type -_pdbx_audit_revision_item.item -1 7 'Structure model' '_database_2.pdbx_DOI' -2 7 'Structure model' '_database_2.pdbx_database_accession' -3 7 'Structure model' '_struct_ref_seq_dif.details' -# -_pdbx_database_status.status_code REL -_pdbx_database_status.entry_id 1BD2 -_pdbx_database_status.recvd_initial_deposition_date 1998-05-12 -_pdbx_database_status.deposit_site ? -_pdbx_database_status.process_site BNL -_pdbx_database_status.SG_entry . -_pdbx_database_status.status_code_sf ? -_pdbx_database_status.status_code_mr ? -_pdbx_database_status.status_code_cs ? -_pdbx_database_status.methods_development_category ? -_pdbx_database_status.pdb_format_compatible Y -_pdbx_database_status.status_code_nmr_data ? -# -loop_ -_audit_author.name -_audit_author.pdbx_ordinal -'Ding, Y.-H.' 1 -'Smith, K.J.' 2 -'Garboczi, D.N.' 3 -'Utz, U.' 4 -'Biddison, W.E.' 5 -'Wiley, D.C.' 6 -# -loop_ -_citation.id -_citation.title -_citation.journal_abbrev -_citation.journal_volume -_citation.page_first -_citation.page_last -_citation.year -_citation.journal_id_ASTM -_citation.country -_citation.journal_id_ISSN -_citation.journal_id_CSD -_citation.book_publisher -_citation.pdbx_database_id_PubMed -_citation.pdbx_database_id_DOI -primary -'Two human T cell receptors bind in a similar diagonal mode to the HLA-A2/Tax peptide complex using different TCR amino acids.' -Immunity 8 403 411 1998 IUNIEH US 1074-7613 2048 ? 9586631 '10.1016/S1074-7613(00)80546-4' -1 'Structure of the Complex between Human T-Cell Receptor, Viral Peptide and Hla-A2' Nature 384 134 ? 1996 NATUAS UK -0028-0836 0006 ? ? ? -# -loop_ -_citation_author.citation_id -_citation_author.name -_citation_author.ordinal -_citation_author.identifier_ORCID -primary 'Ding, Y.H.' 1 ? -primary 'Smith, K.J.' 2 ? -primary 'Garboczi, D.N.' 3 ? -primary 'Utz, U.' 4 ? -primary 'Biddison, W.E.' 5 ? -primary 'Wiley, D.C.' 6 ? -1 'Garboczi, D.N.' 7 ? -1 'Ghosh, P.' 8 ? -1 'Utz, U.' 9 ? -1 'Fan, Q.R.' 10 ? -1 'Biddison, W.E.' 11 ? -1 'Wiley, D.C.' 12 ? -# -loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.pdbx_ec -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.details -1 polymer man 'HLA-A 0201' 31854.203 1 ? ? 'EXTRACELLULAR DOMAINS ALPHA 1, ALPHA 2, ALPHA 3' ? -2 polymer man 'BETA-2 MICROGLOBULIN' 11879.356 1 ? ? ? ? -3 polymer man 'TAX PEPTIDE' 1070.280 1 ? ? 'RESIDUES 11 - 19 FROM TAX PROTEIN OF HUMAN T LYMPHOTROPIC VIRUS TYPE 1' ? -4 polymer man 'T CELL RECEPTOR ALPHA' 22730.295 1 ? ? 'EXTRACELLULAR DOMAINS V AND C, RESIDUES 1 - 210' ? -5 polymer man 'T CELL RECEPTOR BETA' 27326.229 1 ? ? 'EXTRACELLULAR DOMAINS V AND C, RESIDUES 1 - 247' ? -6 water nat water 18.015 39 ? ? ? ? -# -_entity_name_com.entity_id 1 -_entity_name_com.name 'HLA A2 HEAVY CHAIN' -# -loop_ -_entity_poly.entity_id -_entity_poly.type -_entity_poly.nstd_linkage -_entity_poly.nstd_monomer -_entity_poly.pdbx_seq_one_letter_code -_entity_poly.pdbx_seq_one_letter_code_can -_entity_poly.pdbx_strand_id -_entity_poly.pdbx_target_identifier -1 'polypeptide(L)' no no -;GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGT -LRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYL -EGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGT -FQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE -; -;GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGT -LRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYL -EGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGT -FQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE -; -A ? -2 'polypeptide(L)' no no -;MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYA -CRVNHVTLSQPKIVKWDRDM -; -;MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYA -CRVNHVTLSQPKIVKWDRDM -; -B ? -3 'polypeptide(L)' no no LLFGYPVYV LLFGYPVYV C ? -4 'polypeptide(L)' no no -;QQVKQNSPSLSVQEGRISILNCDYTNSMFDYFLWYKKYPAEGPTFLISISSIKDKNADGRFTVFLNKSAKHLSLHIVPSQ -PGDSAVYFCAAMEGAQKLVFGQGTRLTINPNIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKTVL -DMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS -; -;QQVKQNSPSLSVQEGRISILNCDYTNSMFDYFLWYKKYPAEGPTFLISISSIKDKNADGRFTVFLNKSAKHLSLHIVPSQ -PGDSAVYFCAAMEGAQKLVFGQGTRLTINPNIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKTVL -DMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS -; -D ? -5 'polypeptide(L)' no no -;NAGVTQTPKFQVLKTGQSMTLQCAQDMNHEYMSWYRQDPGMGLRLIHYSVGAGITDQGEVPNGYNVSRSTTEDFPLRLLS -AAPSQTSVYFCASSYPGGGFYEQYFGPGTRLTVTEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWW -VNGKEVHSGVSTDPQPLKEQPALNDSRYALSSRLRVSATFWQDPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAW -GRAD -; -;NAGVTQTPKFQVLKTGQSMTLQCAQDMNHEYMSWYRQDPGMGLRLIHYSVGAGITDQGEVPNGYNVSRSTTEDFPLRLLS -AAPSQTSVYFCASSYPGGGFYEQYFGPGTRLTVTEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWW -VNGKEVHSGVSTDPQPLKEQPALNDSRYALSSRLRVSATFWQDPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAW -GRAD -; -E ? -# -_pdbx_entity_nonpoly.entity_id 6 -_pdbx_entity_nonpoly.name water -_pdbx_entity_nonpoly.comp_id HOH -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 GLY n -1 2 SER n -1 3 HIS n -1 4 SER n -1 5 MET n -1 6 ARG n -1 7 TYR n -1 8 PHE n -1 9 PHE n -1 10 THR n -1 11 SER n -1 12 VAL n -1 13 SER n -1 14 ARG n -1 15 PRO n -1 16 GLY n -1 17 ARG n -1 18 GLY n -1 19 GLU n -1 20 PRO n -1 21 ARG n -1 22 PHE n -1 23 ILE n -1 24 ALA n -1 25 VAL n -1 26 GLY n -1 27 TYR n -1 28 VAL n -1 29 ASP n -1 30 ASP n -1 31 THR n -1 32 GLN n -1 33 PHE n -1 34 VAL n -1 35 ARG n -1 36 PHE n -1 37 ASP n -1 38 SER n -1 39 ASP n -1 40 ALA n -1 41 ALA n -1 42 SER n -1 43 GLN n -1 44 ARG n -1 45 MET n -1 46 GLU n -1 47 PRO n -1 48 ARG n -1 49 ALA n -1 50 PRO n -1 51 TRP n -1 52 ILE n -1 53 GLU n -1 54 GLN n -1 55 GLU n -1 56 GLY n -1 57 PRO n -1 58 GLU n -1 59 TYR n -1 60 TRP n -1 61 ASP n -1 62 GLY n -1 63 GLU n -1 64 THR n -1 65 ARG n -1 66 LYS n -1 67 VAL n -1 68 LYS n -1 69 ALA n -1 70 HIS n -1 71 SER n -1 72 GLN n -1 73 THR n -1 74 HIS n -1 75 ARG n -1 76 VAL n -1 77 ASP n -1 78 LEU n -1 79 GLY n -1 80 THR n -1 81 LEU n -1 82 ARG n -1 83 GLY n -1 84 TYR n -1 85 TYR n -1 86 ASN n -1 87 GLN n -1 88 SER n -1 89 GLU n -1 90 ALA n -1 91 GLY n -1 92 SER n -1 93 HIS n -1 94 THR n -1 95 VAL n -1 96 GLN n -1 97 ARG n -1 98 MET n -1 99 TYR n -1 100 GLY n -1 101 CYS n -1 102 ASP n -1 103 VAL n -1 104 GLY n -1 105 SER n -1 106 ASP n -1 107 TRP n -1 108 ARG n -1 109 PHE n -1 110 LEU n -1 111 ARG n -1 112 GLY n -1 113 TYR n -1 114 HIS n -1 115 GLN n -1 116 TYR n -1 117 ALA n -1 118 TYR n -1 119 ASP n -1 120 GLY n -1 121 LYS n -1 122 ASP n -1 123 TYR n -1 124 ILE n -1 125 ALA n -1 126 LEU n -1 127 LYS n -1 128 GLU n -1 129 ASP n -1 130 LEU n -1 131 ARG n -1 132 SER n -1 133 TRP n -1 134 THR n -1 135 ALA n -1 136 ALA n -1 137 ASP n -1 138 MET n -1 139 ALA n -1 140 ALA n -1 141 GLN n -1 142 THR n -1 143 THR n -1 144 LYS n -1 145 HIS n -1 146 LYS n -1 147 TRP n -1 148 GLU n -1 149 ALA n -1 150 ALA n -1 151 HIS n -1 152 VAL n -1 153 ALA n -1 154 GLU n -1 155 GLN n -1 156 LEU n -1 157 ARG n -1 158 ALA n -1 159 TYR n -1 160 LEU n -1 161 GLU n -1 162 GLY n -1 163 THR n -1 164 CYS n -1 165 VAL n -1 166 GLU n -1 167 TRP n -1 168 LEU n -1 169 ARG n -1 170 ARG n -1 171 TYR n -1 172 LEU n -1 173 GLU n -1 174 ASN n -1 175 GLY n -1 176 LYS n -1 177 GLU n -1 178 THR n -1 179 LEU n -1 180 GLN n -1 181 ARG n -1 182 THR n -1 183 ASP n -1 184 ALA n -1 185 PRO n -1 186 LYS n -1 187 THR n -1 188 HIS n -1 189 MET n -1 190 THR n -1 191 HIS n -1 192 HIS n -1 193 ALA n -1 194 VAL n -1 195 SER n -1 196 ASP n -1 197 HIS n -1 198 GLU n -1 199 ALA n -1 200 THR n -1 201 LEU n -1 202 ARG n -1 203 CYS n -1 204 TRP n -1 205 ALA n -1 206 LEU n -1 207 SER n -1 208 PHE n -1 209 TYR n -1 210 PRO n -1 211 ALA n -1 212 GLU n -1 213 ILE n -1 214 THR n -1 215 LEU n -1 216 THR n -1 217 TRP n -1 218 GLN n -1 219 ARG n -1 220 ASP n -1 221 GLY n -1 222 GLU n -1 223 ASP n -1 224 GLN n -1 225 THR n -1 226 GLN n -1 227 ASP n -1 228 THR n -1 229 GLU n -1 230 LEU n -1 231 VAL n -1 232 GLU n -1 233 THR n -1 234 ARG n -1 235 PRO n -1 236 ALA n -1 237 GLY n -1 238 ASP n -1 239 GLY n -1 240 THR n -1 241 PHE n -1 242 GLN n -1 243 LYS n -1 244 TRP n -1 245 ALA n -1 246 ALA n -1 247 VAL n -1 248 VAL n -1 249 VAL n -1 250 PRO n -1 251 SER n -1 252 GLY n -1 253 GLN n -1 254 GLU n -1 255 GLN n -1 256 ARG n -1 257 TYR n -1 258 THR n -1 259 CYS n -1 260 HIS n -1 261 VAL n -1 262 GLN n -1 263 HIS n -1 264 GLU n -1 265 GLY n -1 266 LEU n -1 267 PRO n -1 268 LYS n -1 269 PRO n -1 270 LEU n -1 271 THR n -1 272 LEU n -1 273 ARG n -1 274 TRP n -1 275 GLU n -2 1 MET n -2 2 ILE n -2 3 GLN n -2 4 ARG n -2 5 THR n -2 6 PRO n -2 7 LYS n -2 8 ILE n -2 9 GLN n -2 10 VAL n -2 11 TYR n -2 12 SER n -2 13 ARG n -2 14 HIS n -2 15 PRO n -2 16 ALA n -2 17 GLU n -2 18 ASN n -2 19 GLY n -2 20 LYS n -2 21 SER n -2 22 ASN n -2 23 PHE n -2 24 LEU n -2 25 ASN n -2 26 CYS n -2 27 TYR n -2 28 VAL n -2 29 SER n -2 30 GLY n -2 31 PHE n -2 32 HIS n -2 33 PRO n -2 34 SER n -2 35 ASP n -2 36 ILE n -2 37 GLU n -2 38 VAL n -2 39 ASP n -2 40 LEU n -2 41 LEU n -2 42 LYS n -2 43 ASN n -2 44 GLY n -2 45 GLU n -2 46 ARG n -2 47 ILE n -2 48 GLU n -2 49 LYS n -2 50 VAL n -2 51 GLU n -2 52 HIS n -2 53 SER n -2 54 ASP n -2 55 LEU n -2 56 SER n -2 57 PHE n -2 58 SER n -2 59 LYS n -2 60 ASP n -2 61 TRP n -2 62 SER n -2 63 PHE n -2 64 TYR n -2 65 LEU n -2 66 LEU n -2 67 TYR n -2 68 TYR n -2 69 THR n -2 70 GLU n -2 71 PHE n -2 72 THR n -2 73 PRO n -2 74 THR n -2 75 GLU n -2 76 LYS n -2 77 ASP n -2 78 GLU n -2 79 TYR n -2 80 ALA n -2 81 CYS n -2 82 ARG n -2 83 VAL n -2 84 ASN n -2 85 HIS n -2 86 VAL n -2 87 THR n -2 88 LEU n -2 89 SER n -2 90 GLN n -2 91 PRO n -2 92 LYS n -2 93 ILE n -2 94 VAL n -2 95 LYS n -2 96 TRP n -2 97 ASP n -2 98 ARG n -2 99 ASP n -2 100 MET n -3 1 LEU n -3 2 LEU n -3 3 PHE n -3 4 GLY n -3 5 TYR n -3 6 PRO n -3 7 VAL n -3 8 TYR n -3 9 VAL n -4 1 GLN n -4 2 GLN n -4 3 VAL n -4 4 LYS n -4 5 GLN n -4 6 ASN n -4 7 SER n -4 8 PRO n -4 9 SER n -4 10 LEU n -4 11 SER n -4 12 VAL n -4 13 GLN n -4 14 GLU n -4 15 GLY n -4 16 ARG n -4 17 ILE n -4 18 SER n -4 19 ILE n -4 20 LEU n -4 21 ASN n -4 22 CYS n -4 23 ASP n -4 24 TYR n -4 25 THR n -4 26 ASN n -4 27 SER n -4 28 MET n -4 29 PHE n -4 30 ASP n -4 31 TYR n -4 32 PHE n -4 33 LEU n -4 34 TRP n -4 35 TYR n -4 36 LYS n -4 37 LYS n -4 38 TYR n -4 39 PRO n -4 40 ALA n -4 41 GLU n -4 42 GLY n -4 43 PRO n -4 44 THR n -4 45 PHE n -4 46 LEU n -4 47 ILE n -4 48 SER n -4 49 ILE n -4 50 SER n -4 51 SER n -4 52 ILE n -4 53 LYS n -4 54 ASP n -4 55 LYS n -4 56 ASN n -4 57 ALA n -4 58 ASP n -4 59 GLY n -4 60 ARG n -4 61 PHE n -4 62 THR n -4 63 VAL n -4 64 PHE n -4 65 LEU n -4 66 ASN n -4 67 LYS n -4 68 SER n -4 69 ALA n -4 70 LYS n -4 71 HIS n -4 72 LEU n -4 73 SER n -4 74 LEU n -4 75 HIS n -4 76 ILE n -4 77 VAL n -4 78 PRO n -4 79 SER n -4 80 GLN n -4 81 PRO n -4 82 GLY n -4 83 ASP n -4 84 SER n -4 85 ALA n -4 86 VAL n -4 87 TYR n -4 88 PHE n -4 89 CYS n -4 90 ALA n -4 91 ALA n -4 92 MET n -4 93 GLU n -4 94 GLY n -4 95 ALA n -4 96 GLN n -4 97 LYS n -4 98 LEU n -4 99 VAL n -4 100 PHE n -4 101 GLY n -4 102 GLN n -4 103 GLY n -4 104 THR n -4 105 ARG n -4 106 LEU n -4 107 THR n -4 108 ILE n -4 109 ASN n -4 110 PRO n -4 111 ASN n -4 112 ILE n -4 113 GLN n -4 114 ASN n -4 115 PRO n -4 116 ASP n -4 117 PRO n -4 118 ALA n -4 119 VAL n -4 120 TYR n -4 121 GLN n -4 122 LEU n -4 123 ARG n -4 124 ASP n -4 125 SER n -4 126 LYS n -4 127 SER n -4 128 SER n -4 129 ASP n -4 130 LYS n -4 131 SER n -4 132 VAL n -4 133 CYS n -4 134 LEU n -4 135 PHE n -4 136 THR n -4 137 ASP n -4 138 PHE n -4 139 ASP n -4 140 SER n -4 141 GLN n -4 142 THR n -4 143 ASN n -4 144 VAL n -4 145 SER n -4 146 GLN n -4 147 SER n -4 148 LYS n -4 149 ASP n -4 150 SER n -4 151 ASP n -4 152 VAL n -4 153 TYR n -4 154 ILE n -4 155 THR n -4 156 ASP n -4 157 LYS n -4 158 THR n -4 159 VAL n -4 160 LEU n -4 161 ASP n -4 162 MET n -4 163 ARG n -4 164 SER n -4 165 MET n -4 166 ASP n -4 167 PHE n -4 168 LYS n -4 169 SER n -4 170 ASN n -4 171 SER n -4 172 ALA n -4 173 VAL n -4 174 ALA n -4 175 TRP n -4 176 SER n -4 177 ASN n -4 178 LYS n -4 179 SER n -4 180 ASP n -4 181 PHE n -4 182 ALA n -4 183 CYS n -4 184 ALA n -4 185 ASN n -4 186 ALA n -4 187 PHE n -4 188 ASN n -4 189 ASN n -4 190 SER n -4 191 ILE n -4 192 ILE n -4 193 PRO n -4 194 GLU n -4 195 ASP n -4 196 THR n -4 197 PHE n -4 198 PHE n -4 199 PRO n -4 200 SER n -4 201 PRO n -4 202 GLU n -4 203 SER n -4 204 SER n -5 1 ASN n -5 2 ALA n -5 3 GLY n -5 4 VAL n -5 5 THR n -5 6 GLN n -5 7 THR n -5 8 PRO n -5 9 LYS n -5 10 PHE n -5 11 GLN n -5 12 VAL n -5 13 LEU n -5 14 LYS n -5 15 THR n -5 16 GLY n -5 17 GLN n -5 18 SER n -5 19 MET n -5 20 THR n -5 21 LEU n -5 22 GLN n -5 23 CYS n -5 24 ALA n -5 25 GLN n -5 26 ASP n -5 27 MET n -5 28 ASN n -5 29 HIS n -5 30 GLU n -5 31 TYR n -5 32 MET n -5 33 SER n -5 34 TRP n -5 35 TYR n -5 36 ARG n -5 37 GLN n -5 38 ASP n -5 39 PRO n -5 40 GLY n -5 41 MET n -5 42 GLY n -5 43 LEU n -5 44 ARG n -5 45 LEU n -5 46 ILE n -5 47 HIS n -5 48 TYR n -5 49 SER n -5 50 VAL n -5 51 GLY n -5 52 ALA n -5 53 GLY n -5 54 ILE n -5 55 THR n -5 56 ASP n -5 57 GLN n -5 58 GLY n -5 59 GLU n -5 60 VAL n -5 61 PRO n -5 62 ASN n -5 63 GLY n -5 64 TYR n -5 65 ASN n -5 66 VAL n -5 67 SER n -5 68 ARG n -5 69 SER n -5 70 THR n -5 71 THR n -5 72 GLU n -5 73 ASP n -5 74 PHE n -5 75 PRO n -5 76 LEU n -5 77 ARG n -5 78 LEU n -5 79 LEU n -5 80 SER n -5 81 ALA n -5 82 ALA n -5 83 PRO n -5 84 SER n -5 85 GLN n -5 86 THR n -5 87 SER n -5 88 VAL n -5 89 TYR n -5 90 PHE n -5 91 CYS n -5 92 ALA n -5 93 SER n -5 94 SER n -5 95 TYR n -5 96 PRO n -5 97 GLY n -5 98 GLY n -5 99 GLY n -5 100 PHE n -5 101 TYR n -5 102 GLU n -5 103 GLN n -5 104 TYR n -5 105 PHE n -5 106 GLY n -5 107 PRO n -5 108 GLY n -5 109 THR n -5 110 ARG n -5 111 LEU n -5 112 THR n -5 113 VAL n -5 114 THR n -5 115 GLU n -5 116 ASP n -5 117 LEU n -5 118 LYS n -5 119 ASN n -5 120 VAL n -5 121 PHE n -5 122 PRO n -5 123 PRO n -5 124 GLU n -5 125 VAL n -5 126 ALA n -5 127 VAL n -5 128 PHE n -5 129 GLU n -5 130 PRO n -5 131 SER n -5 132 GLU n -5 133 ALA n -5 134 GLU n -5 135 ILE n -5 136 SER n -5 137 HIS n -5 138 THR n -5 139 GLN n -5 140 LYS n -5 141 ALA n -5 142 THR n -5 143 LEU n -5 144 VAL n -5 145 CYS n -5 146 LEU n -5 147 ALA n -5 148 THR n -5 149 GLY n -5 150 PHE n -5 151 TYR n -5 152 PRO n -5 153 ASP n -5 154 HIS n -5 155 VAL n -5 156 GLU n -5 157 LEU n -5 158 SER n -5 159 TRP n -5 160 TRP n -5 161 VAL n -5 162 ASN n -5 163 GLY n -5 164 LYS n -5 165 GLU n -5 166 VAL n -5 167 HIS n -5 168 SER n -5 169 GLY n -5 170 VAL n -5 171 SER n -5 172 THR n -5 173 ASP n -5 174 PRO n -5 175 GLN n -5 176 PRO n -5 177 LEU n -5 178 LYS n -5 179 GLU n -5 180 GLN n -5 181 PRO n -5 182 ALA n -5 183 LEU n -5 184 ASN n -5 185 ASP n -5 186 SER n -5 187 ARG n -5 188 TYR n -5 189 ALA n -5 190 LEU n -5 191 SER n -5 192 SER n -5 193 ARG n -5 194 LEU n -5 195 ARG n -5 196 VAL n -5 197 SER n -5 198 ALA n -5 199 THR n -5 200 PHE n -5 201 TRP n -5 202 GLN n -5 203 ASP n -5 204 PRO n -5 205 ARG n -5 206 ASN n -5 207 HIS n -5 208 PHE n -5 209 ARG n -5 210 CYS n -5 211 GLN n -5 212 VAL n -5 213 GLN n -5 214 PHE n -5 215 TYR n -5 216 GLY n -5 217 LEU n -5 218 SER n -5 219 GLU n -5 220 ASN n -5 221 ASP n -5 222 GLU n -5 223 TRP n -5 224 THR n -5 225 GLN n -5 226 ASP n -5 227 ARG n -5 228 ALA n -5 229 LYS n -5 230 PRO n -5 231 VAL n -5 232 THR n -5 233 GLN n -5 234 ILE n -5 235 VAL n -5 236 SER n -5 237 ALA n -5 238 GLU n -5 239 ALA n -5 240 TRP n -5 241 GLY n -5 242 ARG n -5 243 ALA n -5 244 ASP n -# -loop_ -_entity_src_gen.entity_id -_entity_src_gen.pdbx_src_id -_entity_src_gen.pdbx_alt_source_flag -_entity_src_gen.pdbx_seq_type -_entity_src_gen.pdbx_beg_seq_num -_entity_src_gen.pdbx_end_seq_num -_entity_src_gen.gene_src_common_name -_entity_src_gen.gene_src_genus -_entity_src_gen.pdbx_gene_src_gene -_entity_src_gen.gene_src_species -_entity_src_gen.gene_src_strain -_entity_src_gen.gene_src_tissue -_entity_src_gen.gene_src_tissue_fraction -_entity_src_gen.gene_src_details -_entity_src_gen.pdbx_gene_src_fragment -_entity_src_gen.pdbx_gene_src_scientific_name -_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id -_entity_src_gen.pdbx_gene_src_variant -_entity_src_gen.pdbx_gene_src_cell_line -_entity_src_gen.pdbx_gene_src_atcc -_entity_src_gen.pdbx_gene_src_organ -_entity_src_gen.pdbx_gene_src_organelle -_entity_src_gen.pdbx_gene_src_cell -_entity_src_gen.pdbx_gene_src_cellular_location -_entity_src_gen.host_org_common_name -_entity_src_gen.pdbx_host_org_scientific_name -_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id -_entity_src_gen.host_org_genus -_entity_src_gen.pdbx_host_org_gene -_entity_src_gen.pdbx_host_org_organ -_entity_src_gen.host_org_species -_entity_src_gen.pdbx_host_org_tissue -_entity_src_gen.pdbx_host_org_tissue_fraction -_entity_src_gen.pdbx_host_org_strain -_entity_src_gen.pdbx_host_org_variant -_entity_src_gen.pdbx_host_org_cell_line -_entity_src_gen.pdbx_host_org_atcc -_entity_src_gen.pdbx_host_org_culture_collection -_entity_src_gen.pdbx_host_org_cell -_entity_src_gen.pdbx_host_org_organelle -_entity_src_gen.pdbx_host_org_cellular_location -_entity_src_gen.pdbx_host_org_vector_type -_entity_src_gen.pdbx_host_org_vector -_entity_src_gen.host_org_details -_entity_src_gen.expression_system_id -_entity_src_gen.plasmid_name -_entity_src_gen.plasmid_details -_entity_src_gen.pdbx_description -1 1 sample ? ? ? human Homo 'HLA-A 0201' ? ? ? ? ? ? -'Homo sapiens' 9606 ? BL21 ? PLASMA ? ? 'PLASMA MEMBRANE' ? 'Escherichia coli' 562 -Escherichia ? ? ? ? ? XA90 ? ? ? ? ? ? 'REFOLDED FROM INCLUSION BODIES' ? ? ? ? PHN1 ? ? -2 1 sample ? ? ? human Homo 'V BETA 12.3 J BETA 2.7 (BV13S1)' ? ? ? ? ? ? -'Homo sapiens' 9606 ? BL21 ? PLASMA ? ? EXTRACELLULAR ? 'Escherichia coli BL21(DE3)' 469008 -Escherichia ? ? 'Escherichia coli' ? ? 'BL21 (DE3)' ? ? ? ? ? ? 'REFOLDED FROM INCLUSION BODIES' ? ? ? ? PLM1 ? ? -3 1 sample ? ? ? ? Deltaretrovirus ? 'Primate T-lymphotropic virus 1' ? ? ? ? ? -'Human T-lymphotropic virus 1' 11908 ? ? ? ? ? ? ? ? ? ? ? ? ? -? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? -4 1 sample ? ? ? human Homo 'V ALPHA 17.2, J ALPHA 54 (ADV21S1A1N2)' ? ? ? ? ? ? -'Homo sapiens' 9606 ? BL21 ? PLASMA ? T-LYMPHOCYTE 'PLASMA MEMBRANE' ? 'Escherichia coli BL21(DE3)' 469008 -Escherichia ? ? 'Escherichia coli' ? ? 'BL21 (DE3)' ? ? ? ? ? ? 'REFOLDED FROM INCLUSION BODIES' ? ? ? ? PLM1 ? ? -5 1 sample ? ? ? human Homo 'V BETA 12.3, J BETA 2.7 (BV13S1)' ? ? ? ? ? ? -'Homo sapiens' 9606 ? BL21 ? PLASMA ? T-LYMPHOCYTE 'PLASMA MEMBRANE' ? 'Escherichia coli BL21(DE3)' 469008 -Escherichia ? ? 'Escherichia coli' ? ? 'BL21 (DE3)' ? ? ? ? ? ? 'REFOLDED FROM INCLUSION BODIES' ? ? ? ? PLM1 ? ? -# -loop_ -_chem_comp.id -_chem_comp.type -_chem_comp.mon_nstd_flag -_chem_comp.name -_chem_comp.pdbx_synonyms -_chem_comp.formula -_chem_comp.formula_weight -ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 -ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 -ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 -ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 -CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 -GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 -GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 -GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 -HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 -HOH non-polymer . WATER ? 'H2 O' 18.015 -ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 -LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 -LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 -MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 -PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 -PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 -SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 -THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 -TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 -TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 -VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 -# -loop_ -_pdbx_poly_seq_scheme.asym_id -_pdbx_poly_seq_scheme.entity_id -_pdbx_poly_seq_scheme.seq_id -_pdbx_poly_seq_scheme.mon_id -_pdbx_poly_seq_scheme.ndb_seq_num -_pdbx_poly_seq_scheme.pdb_seq_num -_pdbx_poly_seq_scheme.auth_seq_num -_pdbx_poly_seq_scheme.pdb_mon_id -_pdbx_poly_seq_scheme.auth_mon_id -_pdbx_poly_seq_scheme.pdb_strand_id -_pdbx_poly_seq_scheme.pdb_ins_code -_pdbx_poly_seq_scheme.hetero -A 1 1 GLY 1 1 1 GLY GLY A . n -A 1 2 SER 2 2 2 SER SER A . n -A 1 3 HIS 3 3 3 HIS HIS A . n -A 1 4 SER 4 4 4 SER SER A . n -A 1 5 MET 5 5 5 MET MET A . n -A 1 6 ARG 6 6 6 ARG ARG A . n -A 1 7 TYR 7 7 7 TYR TYR A . n -A 1 8 PHE 8 8 8 PHE PHE A . n -A 1 9 PHE 9 9 9 PHE PHE A . n -A 1 10 THR 10 10 10 THR THR A . n -A 1 11 SER 11 11 11 SER SER A . n -A 1 12 VAL 12 12 12 VAL VAL A . n -A 1 13 SER 13 13 13 SER SER A . n -A 1 14 ARG 14 14 14 ARG ARG A . n -A 1 15 PRO 15 15 15 PRO PRO A . n -A 1 16 GLY 16 16 16 GLY GLY A . n -A 1 17 ARG 17 17 17 ARG ARG A . n -A 1 18 GLY 18 18 18 GLY GLY A . n -A 1 19 GLU 19 19 19 GLU GLU A . n -A 1 20 PRO 20 20 20 PRO PRO A . n -A 1 21 ARG 21 21 21 ARG ARG A . n -A 1 22 PHE 22 22 22 PHE PHE A . n -A 1 23 ILE 23 23 23 ILE ILE A . n -A 1 24 ALA 24 24 24 ALA ALA A . n -A 1 25 VAL 25 25 25 VAL VAL A . n -A 1 26 GLY 26 26 26 GLY GLY A . n -A 1 27 TYR 27 27 27 TYR TYR A . n -A 1 28 VAL 28 28 28 VAL VAL A . n -A 1 29 ASP 29 29 29 ASP ASP A . n -A 1 30 ASP 30 30 30 ASP ASP A . n -A 1 31 THR 31 31 31 THR THR A . n -A 1 32 GLN 32 32 32 GLN GLN A . n -A 1 33 PHE 33 33 33 PHE PHE A . n -A 1 34 VAL 34 34 34 VAL VAL A . n -A 1 35 ARG 35 35 35 ARG ARG A . n -A 1 36 PHE 36 36 36 PHE PHE A . n -A 1 37 ASP 37 37 37 ASP ASP A . n -A 1 38 SER 38 38 38 SER SER A . n -A 1 39 ASP 39 39 39 ASP ASP A . n -A 1 40 ALA 40 40 40 ALA ALA A . n -A 1 41 ALA 41 41 41 ALA ALA A . n -A 1 42 SER 42 42 42 SER SER A . n -A 1 43 GLN 43 43 43 GLN GLN A . n -A 1 44 ARG 44 44 44 ARG ARG A . n -A 1 45 MET 45 45 45 MET MET A . n -A 1 46 GLU 46 46 46 GLU GLU A . n -A 1 47 PRO 47 47 47 PRO PRO A . n -A 1 48 ARG 48 48 48 ARG ARG A . n -A 1 49 ALA 49 49 49 ALA ALA A . n -A 1 50 PRO 50 50 50 PRO PRO A . n -A 1 51 TRP 51 51 51 TRP TRP A . n -A 1 52 ILE 52 52 52 ILE ILE A . n -A 1 53 GLU 53 53 53 GLU GLU A . n -A 1 54 GLN 54 54 54 GLN GLN A . n -A 1 55 GLU 55 55 55 GLU GLU A . n -A 1 56 GLY 56 56 56 GLY GLY A . n -A 1 57 PRO 57 57 57 PRO PRO A . n -A 1 58 GLU 58 58 58 GLU GLU A . n -A 1 59 TYR 59 59 59 TYR TYR A . n -A 1 60 TRP 60 60 60 TRP TRP A . n -A 1 61 ASP 61 61 61 ASP ASP A . n -A 1 62 GLY 62 62 62 GLY GLY A . n -A 1 63 GLU 63 63 63 GLU GLU A . n -A 1 64 THR 64 64 64 THR THR A . n -A 1 65 ARG 65 65 65 ARG ARG A . n -A 1 66 LYS 66 66 66 LYS LYS A . n -A 1 67 VAL 67 67 67 VAL VAL A . n -A 1 68 LYS 68 68 68 LYS LYS A . n -A 1 69 ALA 69 69 69 ALA ALA A . n -A 1 70 HIS 70 70 70 HIS HIS A . n -A 1 71 SER 71 71 71 SER SER A . n -A 1 72 GLN 72 72 72 GLN GLN A . n -A 1 73 THR 73 73 73 THR THR A . n -A 1 74 HIS 74 74 74 HIS HIS A . n -A 1 75 ARG 75 75 75 ARG ARG A . n -A 1 76 VAL 76 76 76 VAL VAL A . n -A 1 77 ASP 77 77 77 ASP ASP A . n -A 1 78 LEU 78 78 78 LEU LEU A . n -A 1 79 GLY 79 79 79 GLY GLY A . n -A 1 80 THR 80 80 80 THR THR A . n -A 1 81 LEU 81 81 81 LEU LEU A . n -A 1 82 ARG 82 82 82 ARG ARG A . n -A 1 83 GLY 83 83 83 GLY GLY A . n -A 1 84 TYR 84 84 84 TYR TYR A . n -A 1 85 TYR 85 85 85 TYR TYR A . n -A 1 86 ASN 86 86 86 ASN ASN A . n -A 1 87 GLN 87 87 87 GLN GLN A . n -A 1 88 SER 88 88 88 SER SER A . n -A 1 89 GLU 89 89 89 GLU GLU A . n -A 1 90 ALA 90 90 90 ALA ALA A . n -A 1 91 GLY 91 91 91 GLY GLY A . n -A 1 92 SER 92 92 92 SER SER A . n -A 1 93 HIS 93 93 93 HIS HIS A . n -A 1 94 THR 94 94 94 THR THR A . n -A 1 95 VAL 95 95 95 VAL VAL A . n -A 1 96 GLN 96 96 96 GLN GLN A . n -A 1 97 ARG 97 97 97 ARG ARG A . n -A 1 98 MET 98 98 98 MET MET A . n -A 1 99 TYR 99 99 99 TYR TYR A . n -A 1 100 GLY 100 100 100 GLY GLY A . n -A 1 101 CYS 101 101 101 CYS CYS A . n -A 1 102 ASP 102 102 102 ASP ASP A . n -A 1 103 VAL 103 103 103 VAL VAL A . n -A 1 104 GLY 104 104 104 GLY GLY A . n -A 1 105 SER 105 105 105 SER SER A . n -A 1 106 ASP 106 106 106 ASP ASP A . n -A 1 107 TRP 107 107 107 TRP TRP A . n -A 1 108 ARG 108 108 108 ARG ARG A . n -A 1 109 PHE 109 109 109 PHE PHE A . n -A 1 110 LEU 110 110 110 LEU LEU A . n -A 1 111 ARG 111 111 111 ARG ARG A . n -A 1 112 GLY 112 112 112 GLY GLY A . n -A 1 113 TYR 113 113 113 TYR TYR A . n -A 1 114 HIS 114 114 114 HIS HIS A . n -A 1 115 GLN 115 115 115 GLN GLN A . n -A 1 116 TYR 116 116 116 TYR TYR A . n -A 1 117 ALA 117 117 117 ALA ALA A . n -A 1 118 TYR 118 118 118 TYR TYR A . n -A 1 119 ASP 119 119 119 ASP ASP A . n -A 1 120 GLY 120 120 120 GLY GLY A . n -A 1 121 LYS 121 121 121 LYS LYS A . n -A 1 122 ASP 122 122 122 ASP ASP A . n -A 1 123 TYR 123 123 123 TYR TYR A . n -A 1 124 ILE 124 124 124 ILE ILE A . n -A 1 125 ALA 125 125 125 ALA ALA A . n -A 1 126 LEU 126 126 126 LEU LEU A . n -A 1 127 LYS 127 127 127 LYS LYS A . n -A 1 128 GLU 128 128 128 GLU GLU A . n -A 1 129 ASP 129 129 129 ASP ASP A . n -A 1 130 LEU 130 130 130 LEU LEU A . n -A 1 131 ARG 131 131 131 ARG ARG A . n -A 1 132 SER 132 132 132 SER SER A . n -A 1 133 TRP 133 133 133 TRP TRP A . n -A 1 134 THR 134 134 134 THR THR A . n -A 1 135 ALA 135 135 135 ALA ALA A . n -A 1 136 ALA 136 136 136 ALA ALA A . n -A 1 137 ASP 137 137 137 ASP ASP A . n -A 1 138 MET 138 138 138 MET MET A . n -A 1 139 ALA 139 139 139 ALA ALA A . n -A 1 140 ALA 140 140 140 ALA ALA A . n -A 1 141 GLN 141 141 141 GLN GLN A . n -A 1 142 THR 142 142 142 THR THR A . n -A 1 143 THR 143 143 143 THR THR A . n -A 1 144 LYS 144 144 144 LYS LYS A . n -A 1 145 HIS 145 145 145 HIS HIS A . n -A 1 146 LYS 146 146 146 LYS LYS A . n -A 1 147 TRP 147 147 147 TRP TRP A . n -A 1 148 GLU 148 148 148 GLU GLU A . n -A 1 149 ALA 149 149 149 ALA ALA A . n -A 1 150 ALA 150 150 150 ALA ALA A . n -A 1 151 HIS 151 151 151 HIS HIS A . n -A 1 152 VAL 152 152 152 VAL VAL A . n -A 1 153 ALA 153 153 153 ALA ALA A . n -A 1 154 GLU 154 154 154 GLU GLU A . n -A 1 155 GLN 155 155 155 GLN GLN A . n -A 1 156 LEU 156 156 156 LEU LEU A . n -A 1 157 ARG 157 157 157 ARG ARG A . n -A 1 158 ALA 158 158 158 ALA ALA A . n -A 1 159 TYR 159 159 159 TYR TYR A . n -A 1 160 LEU 160 160 160 LEU LEU A . n -A 1 161 GLU 161 161 161 GLU GLU A . n -A 1 162 GLY 162 162 162 GLY GLY A . n -A 1 163 THR 163 163 163 THR THR A . n -A 1 164 CYS 164 164 164 CYS CYS A . n -A 1 165 VAL 165 165 165 VAL VAL A . n -A 1 166 GLU 166 166 166 GLU GLU A . n -A 1 167 TRP 167 167 167 TRP TRP A . n -A 1 168 LEU 168 168 168 LEU LEU A . n -A 1 169 ARG 169 169 169 ARG ARG A . n -A 1 170 ARG 170 170 170 ARG ARG A . n -A 1 171 TYR 171 171 171 TYR TYR A . n -A 1 172 LEU 172 172 172 LEU LEU A . n -A 1 173 GLU 173 173 173 GLU GLU A . n -A 1 174 ASN 174 174 174 ASN ASN A . n -A 1 175 GLY 175 175 175 GLY GLY A . n -A 1 176 LYS 176 176 176 LYS LYS A . n -A 1 177 GLU 177 177 177 GLU GLU A . n -A 1 178 THR 178 178 178 THR THR A . n -A 1 179 LEU 179 179 179 LEU LEU A . n -A 1 180 GLN 180 180 180 GLN GLN A . n -A 1 181 ARG 181 181 181 ARG ARG A . n -A 1 182 THR 182 182 182 THR THR A . n -A 1 183 ASP 183 183 183 ASP ASP A . n -A 1 184 ALA 184 184 184 ALA ALA A . n -A 1 185 PRO 185 185 185 PRO PRO A . n -A 1 186 LYS 186 186 186 LYS LYS A . n -A 1 187 THR 187 187 187 THR THR A . n -A 1 188 HIS 188 188 188 HIS HIS A . n -A 1 189 MET 189 189 189 MET MET A . n -A 1 190 THR 190 190 190 THR THR A . n -A 1 191 HIS 191 191 191 HIS HIS A . n -A 1 192 HIS 192 192 192 HIS HIS A . n -A 1 193 ALA 193 193 193 ALA ALA A . n -A 1 194 VAL 194 194 194 VAL VAL A . n -A 1 195 SER 195 195 195 SER SER A . n -A 1 196 ASP 196 196 196 ASP ASP A . n -A 1 197 HIS 197 197 197 HIS HIS A . n -A 1 198 GLU 198 198 198 GLU GLU A . n -A 1 199 ALA 199 199 199 ALA ALA A . n -A 1 200 THR 200 200 200 THR THR A . n -A 1 201 LEU 201 201 201 LEU LEU A . n -A 1 202 ARG 202 202 202 ARG ARG A . n -A 1 203 CYS 203 203 203 CYS CYS A . n -A 1 204 TRP 204 204 204 TRP TRP A . n -A 1 205 ALA 205 205 205 ALA ALA A . n -A 1 206 LEU 206 206 206 LEU LEU A . n -A 1 207 SER 207 207 207 SER SER A . n -A 1 208 PHE 208 208 208 PHE PHE A . n -A 1 209 TYR 209 209 209 TYR TYR A . n -A 1 210 PRO 210 210 210 PRO PRO A . n -A 1 211 ALA 211 211 211 ALA ALA A . n -A 1 212 GLU 212 212 212 GLU GLU A . n -A 1 213 ILE 213 213 213 ILE ILE A . n -A 1 214 THR 214 214 214 THR THR A . n -A 1 215 LEU 215 215 215 LEU LEU A . n -A 1 216 THR 216 216 216 THR THR A . n -A 1 217 TRP 217 217 217 TRP TRP A . n -A 1 218 GLN 218 218 218 GLN GLN A . n -A 1 219 ARG 219 219 219 ARG ARG A . n -A 1 220 ASP 220 220 220 ASP ASP A . n -A 1 221 GLY 221 221 221 GLY GLY A . n -A 1 222 GLU 222 222 222 GLU GLU A . n -A 1 223 ASP 223 223 223 ASP ASP A . n -A 1 224 GLN 224 224 224 GLN GLN A . n -A 1 225 THR 225 225 225 THR THR A . n -A 1 226 GLN 226 226 226 GLN GLN A . n -A 1 227 ASP 227 227 227 ASP ASP A . n -A 1 228 THR 228 228 228 THR THR A . n -A 1 229 GLU 229 229 229 GLU GLU A . n -A 1 230 LEU 230 230 230 LEU LEU A . n -A 1 231 VAL 231 231 231 VAL VAL A . n -A 1 232 GLU 232 232 232 GLU GLU A . n -A 1 233 THR 233 233 233 THR THR A . n -A 1 234 ARG 234 234 234 ARG ARG A . n -A 1 235 PRO 235 235 235 PRO PRO A . n -A 1 236 ALA 236 236 236 ALA ALA A . n -A 1 237 GLY 237 237 237 GLY GLY A . n -A 1 238 ASP 238 238 238 ASP ASP A . n -A 1 239 GLY 239 239 239 GLY GLY A . n -A 1 240 THR 240 240 240 THR THR A . n -A 1 241 PHE 241 241 241 PHE PHE A . n -A 1 242 GLN 242 242 242 GLN GLN A . n -A 1 243 LYS 243 243 243 LYS LYS A . n -A 1 244 TRP 244 244 244 TRP TRP A . n -A 1 245 ALA 245 245 245 ALA ALA A . n -A 1 246 ALA 246 246 246 ALA ALA A . n -A 1 247 VAL 247 247 247 VAL VAL A . n -A 1 248 VAL 248 248 248 VAL VAL A . n -A 1 249 VAL 249 249 249 VAL VAL A . n -A 1 250 PRO 250 250 250 PRO PRO A . n -A 1 251 SER 251 251 251 SER SER A . n -A 1 252 GLY 252 252 252 GLY GLY A . n -A 1 253 GLN 253 253 253 GLN GLN A . n -A 1 254 GLU 254 254 254 GLU GLU A . n -A 1 255 GLN 255 255 255 GLN GLN A . n -A 1 256 ARG 256 256 256 ARG ARG A . n -A 1 257 TYR 257 257 257 TYR TYR A . n -A 1 258 THR 258 258 258 THR THR A . n -A 1 259 CYS 259 259 259 CYS CYS A . n -A 1 260 HIS 260 260 260 HIS HIS A . n -A 1 261 VAL 261 261 261 VAL VAL A . n -A 1 262 GLN 262 262 262 GLN GLN A . n -A 1 263 HIS 263 263 263 HIS HIS A . n -A 1 264 GLU 264 264 264 GLU GLU A . n -A 1 265 GLY 265 265 265 GLY GLY A . n -A 1 266 LEU 266 266 266 LEU LEU A . n -A 1 267 PRO 267 267 267 PRO PRO A . n -A 1 268 LYS 268 268 268 LYS LYS A . n -A 1 269 PRO 269 269 269 PRO PRO A . n -A 1 270 LEU 270 270 270 LEU LEU A . n -A 1 271 THR 271 271 271 THR THR A . n -A 1 272 LEU 272 272 272 LEU LEU A . n -A 1 273 ARG 273 273 273 ARG ARG A . n -A 1 274 TRP 274 274 274 TRP TRP A . n -A 1 275 GLU 275 275 275 GLU GLU A . n -B 2 1 MET 1 0 ? ? ? B . n -B 2 2 ILE 2 1 1 ILE ILE B . n -B 2 3 GLN 3 2 2 GLN GLN B . n -B 2 4 ARG 4 3 3 ARG ARG B . n -B 2 5 THR 5 4 4 THR THR B . n -B 2 6 PRO 6 5 5 PRO PRO B . n -B 2 7 LYS 7 6 6 LYS LYS B . n -B 2 8 ILE 8 7 7 ILE ILE B . n -B 2 9 GLN 9 8 8 GLN GLN B . n -B 2 10 VAL 10 9 9 VAL VAL B . n -B 2 11 TYR 11 10 10 TYR TYR B . n -B 2 12 SER 12 11 11 SER SER B . n -B 2 13 ARG 13 12 12 ARG ARG B . n -B 2 14 HIS 14 13 13 HIS HIS B . n -B 2 15 PRO 15 14 14 PRO PRO B . n -B 2 16 ALA 16 15 15 ALA ALA B . n -B 2 17 GLU 17 16 16 GLU GLU B . n -B 2 18 ASN 18 17 17 ASN ASN B . n -B 2 19 GLY 19 18 18 GLY GLY B . n -B 2 20 LYS 20 19 19 LYS LYS B . n -B 2 21 SER 21 20 20 SER SER B . n -B 2 22 ASN 22 21 21 ASN ASN B . n -B 2 23 PHE 23 22 22 PHE PHE B . n -B 2 24 LEU 24 23 23 LEU LEU B . n -B 2 25 ASN 25 24 24 ASN ASN B . n -B 2 26 CYS 26 25 25 CYS CYS B . n -B 2 27 TYR 27 26 26 TYR TYR B . n -B 2 28 VAL 28 27 27 VAL VAL B . n -B 2 29 SER 29 28 28 SER SER B . n -B 2 30 GLY 30 29 29 GLY GLY B . n -B 2 31 PHE 31 30 30 PHE PHE B . n -B 2 32 HIS 32 31 31 HIS HIS B . n -B 2 33 PRO 33 32 32 PRO PRO B . n -B 2 34 SER 34 33 33 SER SER B . n -B 2 35 ASP 35 34 34 ASP ASP B . n -B 2 36 ILE 36 35 35 ILE ILE B . n -B 2 37 GLU 37 36 36 GLU GLU B . n -B 2 38 VAL 38 37 37 VAL VAL B . n -B 2 39 ASP 39 38 38 ASP ASP B . n -B 2 40 LEU 40 39 39 LEU LEU B . n -B 2 41 LEU 41 40 40 LEU LEU B . n -B 2 42 LYS 42 41 41 LYS LYS B . n -B 2 43 ASN 43 42 42 ASN ASN B . n -B 2 44 GLY 44 43 43 GLY GLY B . n -B 2 45 GLU 45 44 44 GLU GLU B . n -B 2 46 ARG 46 45 45 ARG ARG B . n -B 2 47 ILE 47 46 46 ILE ILE B . n -B 2 48 GLU 48 47 48 GLU GLU B . n -B 2 49 LYS 49 48 48 LYS LYS B . n -B 2 50 VAL 50 49 49 VAL VAL B . n -B 2 51 GLU 51 50 50 GLU GLU B . n -B 2 52 HIS 52 51 51 HIS HIS B . n -B 2 53 SER 53 52 52 SER SER B . n -B 2 54 ASP 54 53 53 ASP ASP B . n -B 2 55 LEU 55 54 54 LEU LEU B . n -B 2 56 SER 56 55 55 SER SER B . n -B 2 57 PHE 57 56 56 PHE PHE B . n -B 2 58 SER 58 57 57 SER SER B . n -B 2 59 LYS 59 58 58 LYS LYS B . n -B 2 60 ASP 60 59 59 ASP ASP B . n -B 2 61 TRP 61 60 60 TRP TRP B . n -B 2 62 SER 62 61 61 SER SER B . n -B 2 63 PHE 63 62 62 PHE PHE B . n -B 2 64 TYR 64 63 63 TYR TYR B . n -B 2 65 LEU 65 64 64 LEU LEU B . n -B 2 66 LEU 66 65 65 LEU LEU B . n -B 2 67 TYR 67 66 66 TYR TYR B . n -B 2 68 TYR 68 67 67 TYR TYR B . n -B 2 69 THR 69 68 68 THR THR B . n -B 2 70 GLU 70 69 69 GLU GLU B . n -B 2 71 PHE 71 70 70 PHE PHE B . n -B 2 72 THR 72 71 71 THR THR B . n -B 2 73 PRO 73 72 72 PRO PRO B . n -B 2 74 THR 74 73 73 THR THR B . n -B 2 75 GLU 75 74 74 GLU GLU B . n -B 2 76 LYS 76 75 75 LYS LYS B . n -B 2 77 ASP 77 76 76 ASP ASP B . n -B 2 78 GLU 78 77 77 GLU GLU B . n -B 2 79 TYR 79 78 78 TYR TYR B . n -B 2 80 ALA 80 79 79 ALA ALA B . n -B 2 81 CYS 81 80 80 CYS CYS B . n -B 2 82 ARG 82 81 81 ARG ARG B . n -B 2 83 VAL 83 82 82 VAL VAL B . n -B 2 84 ASN 84 83 83 ASN ASN B . n -B 2 85 HIS 85 84 84 HIS HIS B . n -B 2 86 VAL 86 85 85 VAL VAL B . n -B 2 87 THR 87 86 86 THR THR B . n -B 2 88 LEU 88 87 87 LEU LEU B . n -B 2 89 SER 89 88 88 SER SER B . n -B 2 90 GLN 90 89 89 GLN GLN B . n -B 2 91 PRO 91 90 90 PRO PRO B . n -B 2 92 LYS 92 91 91 LYS LYS B . n -B 2 93 ILE 93 92 92 ILE ILE B . n -B 2 94 VAL 94 93 93 VAL VAL B . n -B 2 95 LYS 95 94 94 LYS LYS B . n -B 2 96 TRP 96 95 95 TRP TRP B . n -B 2 97 ASP 97 96 96 ASP ASP B . n -B 2 98 ARG 98 97 97 ARG ARG B . n -B 2 99 ASP 99 98 98 ASP ASP B . n -B 2 100 MET 100 99 99 MET MET B . n -C 3 1 LEU 1 1 1 LEU LEU C . n -C 3 2 LEU 2 2 2 LEU LEU C . n -C 3 3 PHE 3 3 3 PHE PHE C . n -C 3 4 GLY 4 4 4 GLY GLY C . n -C 3 5 TYR 5 5 5 TYR TYR C . n -C 3 6 PRO 6 6 6 PRO PRO C . n -C 3 7 VAL 7 7 7 VAL VAL C . n -C 3 8 TYR 8 8 8 TYR TYR C . n -C 3 9 VAL 9 9 9 VAL VAL C . n -D 4 1 GLN 1 1 1 GLN GLN D . n -D 4 2 GLN 2 2 2 GLN GLN D . n -D 4 3 VAL 3 3 3 VAL VAL D . n -D 4 4 LYS 4 4 4 LYS LYS D . n -D 4 5 GLN 5 5 5 GLN GLN D . n -D 4 6 ASN 6 6 6 ASN ASN D . n -D 4 7 SER 7 7 7 SER SER D . n -D 4 8 PRO 8 8 8 PRO PRO D . n -D 4 9 SER 9 9 9 SER SER D . n -D 4 10 LEU 10 10 10 LEU LEU D . n -D 4 11 SER 11 11 11 SER SER D . n -D 4 12 VAL 12 12 12 VAL VAL D . n -D 4 13 GLN 13 13 13 GLN GLN D . n -D 4 14 GLU 14 14 14 GLU GLU D . n -D 4 15 GLY 15 15 15 GLY GLY D . n -D 4 16 ARG 16 16 16 ARG ARG D . n -D 4 17 ILE 17 17 17 ILE ILE D . n -D 4 18 SER 18 18 18 SER SER D . n -D 4 19 ILE 19 19 19 ILE ILE D . n -D 4 20 LEU 20 20 20 LEU LEU D . n -D 4 21 ASN 21 21 21 ASN ASN D . n -D 4 22 CYS 22 22 22 CYS CYS D . n -D 4 23 ASP 23 23 23 ASP ASP D . n -D 4 24 TYR 24 24 24 TYR TYR D . n -D 4 25 THR 25 25 25 THR THR D . n -D 4 26 ASN 26 26 26 ASN ASN D . n -D 4 27 SER 27 27 27 SER SER D . n -D 4 28 MET 28 28 28 MET MET D . n -D 4 29 PHE 29 29 29 PHE PHE D . n -D 4 30 ASP 30 30 30 ASP ASP D . n -D 4 31 TYR 31 31 31 TYR TYR D . n -D 4 32 PHE 32 32 32 PHE PHE D . n -D 4 33 LEU 33 33 33 LEU LEU D . n -D 4 34 TRP 34 34 34 TRP TRP D . n -D 4 35 TYR 35 35 35 TYR TYR D . n -D 4 36 LYS 36 36 36 LYS LYS D . n -D 4 37 LYS 37 37 37 LYS LYS D . n -D 4 38 TYR 38 38 38 TYR TYR D . n -D 4 39 PRO 39 39 39 PRO PRO D . n -D 4 40 ALA 40 40 40 ALA ALA D . n -D 4 41 GLU 41 41 41 GLU GLU D . n -D 4 42 GLY 42 42 42 GLY GLY D . n -D 4 43 PRO 43 43 43 PRO PRO D . n -D 4 44 THR 44 44 44 THR THR D . n -D 4 45 PHE 45 45 45 PHE PHE D . n -D 4 46 LEU 46 46 46 LEU LEU D . n -D 4 47 ILE 47 47 47 ILE ILE D . n -D 4 48 SER 48 48 48 SER SER D . n -D 4 49 ILE 49 49 49 ILE ILE D . n -D 4 50 SER 50 50 50 SER SER D . n -D 4 51 SER 51 51 51 SER SER D . n -D 4 52 ILE 52 52 52 ILE ILE D . n -D 4 53 LYS 53 53 53 LYS LYS D . n -D 4 54 ASP 54 54 54 ASP ASP D . n -D 4 55 LYS 55 54 54 LYS LYS D A n -D 4 56 ASN 56 55 55 ASN ASN D . n -D 4 57 ALA 57 56 56 ALA ALA D . n -D 4 58 ASP 58 57 57 ASP ASP D . n -D 4 59 GLY 59 58 58 GLY GLY D . n -D 4 60 ARG 60 61 61 ARG ARG D . n -D 4 61 PHE 61 62 62 PHE PHE D . n -D 4 62 THR 62 63 63 THR THR D . n -D 4 63 VAL 63 64 64 VAL VAL D . n -D 4 64 PHE 64 65 65 PHE PHE D . n -D 4 65 LEU 65 66 66 LEU LEU D . n -D 4 66 ASN 66 67 67 ASN ASN D . n -D 4 67 LYS 67 68 68 LYS LYS D . n -D 4 68 SER 68 69 69 SER SER D . n -D 4 69 ALA 69 70 70 ALA ALA D . n -D 4 70 LYS 70 71 71 LYS LYS D . n -D 4 71 HIS 71 72 72 HIS HIS D . n -D 4 72 LEU 72 73 73 LEU LEU D . n -D 4 73 SER 73 74 74 SER SER D . n -D 4 74 LEU 74 75 75 LEU LEU D . n -D 4 75 HIS 75 76 76 HIS HIS D . n -D 4 76 ILE 76 77 77 ILE ILE D . n -D 4 77 VAL 77 78 78 VAL VAL D . n -D 4 78 PRO 78 79 79 PRO PRO D . n -D 4 79 SER 79 80 80 SER SER D . n -D 4 80 GLN 80 81 81 GLN GLN D . n -D 4 81 PRO 81 82 82 PRO PRO D . n -D 4 82 GLY 82 83 83 GLY GLY D . n -D 4 83 ASP 83 84 84 ASP ASP D . n -D 4 84 SER 84 85 85 SER SER D . n -D 4 85 ALA 85 86 86 ALA ALA D . n -D 4 86 VAL 86 87 87 VAL VAL D . n -D 4 87 TYR 87 88 88 TYR TYR D . n -D 4 88 PHE 88 89 89 PHE PHE D . n -D 4 89 CYS 89 90 90 CYS CYS D . n -D 4 90 ALA 90 91 91 ALA ALA D . n -D 4 91 ALA 91 92 92 ALA ALA D . n -D 4 92 MET 92 93 93 MET MET D . n -D 4 93 GLU 93 94 94 GLU GLU D . n -D 4 94 GLY 94 95 95 GLY GLY D . n -D 4 95 ALA 95 96 96 ALA ALA D . n -D 4 96 GLN 96 102 102 GLN GLN D . n -D 4 97 LYS 97 103 103 LYS LYS D . n -D 4 98 LEU 98 104 104 LEU LEU D . n -D 4 99 VAL 99 105 105 VAL VAL D . n -D 4 100 PHE 100 106 106 PHE PHE D . n -D 4 101 GLY 101 107 107 GLY GLY D . n -D 4 102 GLN 102 108 108 GLN GLN D . n -D 4 103 GLY 103 109 109 GLY GLY D . n -D 4 104 THR 104 110 110 THR THR D . n -D 4 105 ARG 105 111 111 ARG ARG D . n -D 4 106 LEU 106 112 112 LEU LEU D . n -D 4 107 THR 107 113 113 THR THR D . n -D 4 108 ILE 108 114 114 ILE ILE D . n -D 4 109 ASN 109 115 115 ASN ASN D . n -D 4 110 PRO 110 116 116 PRO PRO D . n -D 4 111 ASN 111 117 117 ASN ASN D . n -D 4 112 ILE 112 118 118 ILE ILE D . n -D 4 113 GLN 113 119 119 GLN GLN D . n -D 4 114 ASN 114 120 120 ASN ASN D . n -D 4 115 PRO 115 121 121 PRO PRO D . n -D 4 116 ASP 116 122 122 ASP ASP D . n -D 4 117 PRO 117 123 123 PRO PRO D . n -D 4 118 ALA 118 124 124 ALA ALA D . n -D 4 119 VAL 119 125 125 VAL VAL D . n -D 4 120 TYR 120 126 126 TYR TYR D . n -D 4 121 GLN 121 127 127 GLN GLN D . n -D 4 122 LEU 122 128 128 LEU LEU D . n -D 4 123 ARG 123 129 129 ARG ARG D . n -D 4 124 ASP 124 130 130 ASP ASP D . n -D 4 125 SER 125 131 131 SER SER D . n -D 4 126 LYS 126 132 132 LYS LYS D . n -D 4 127 SER 127 133 ? ? ? D . n -D 4 128 SER 128 134 ? ? ? D . n -D 4 129 ASP 129 135 ? ? ? D . n -D 4 130 LYS 130 136 ? ? ? D . n -D 4 131 SER 131 137 137 SER SER D . n -D 4 132 VAL 132 138 138 VAL VAL D . n -D 4 133 CYS 133 139 139 CYS CYS D . n -D 4 134 LEU 134 140 140 LEU LEU D . n -D 4 135 PHE 135 141 141 PHE PHE D . n -D 4 136 THR 136 142 142 THR THR D . n -D 4 137 ASP 137 143 143 ASP ASP D . n -D 4 138 PHE 138 144 144 PHE PHE D . n -D 4 139 ASP 139 145 145 ASP ASP D . n -D 4 140 SER 140 146 146 SER SER D . n -D 4 141 GLN 141 147 147 GLN GLN D . n -D 4 142 THR 142 148 148 THR THR D . n -D 4 143 ASN 143 149 149 ASN ASN D . n -D 4 144 VAL 144 150 150 VAL VAL D . n -D 4 145 SER 145 151 151 SER SER D . n -D 4 146 GLN 146 152 152 GLN GLN D . n -D 4 147 SER 147 153 153 SER SER D . n -D 4 148 LYS 148 154 154 LYS LYS D . n -D 4 149 ASP 149 155 155 ASP ASP D . n -D 4 150 SER 150 156 156 SER SER D . n -D 4 151 ASP 151 157 157 ASP ASP D . n -D 4 152 VAL 152 158 158 VAL VAL D . n -D 4 153 TYR 153 159 159 TYR TYR D . n -D 4 154 ILE 154 160 160 ILE ILE D . n -D 4 155 THR 155 161 161 THR THR D . n -D 4 156 ASP 156 162 162 ASP ASP D . n -D 4 157 LYS 157 163 163 LYS LYS D . n -D 4 158 THR 158 164 164 THR THR D . n -D 4 159 VAL 159 165 165 VAL VAL D . n -D 4 160 LEU 160 166 166 LEU LEU D . n -D 4 161 ASP 161 167 167 ASP ASP D . n -D 4 162 MET 162 168 168 MET MET D . n -D 4 163 ARG 163 169 169 ARG ARG D . n -D 4 164 SER 164 170 ? ? ? D . n -D 4 165 MET 165 171 ? ? ? D . n -D 4 166 ASP 166 172 ? ? ? D . n -D 4 167 PHE 167 173 173 PHE PHE D . n -D 4 168 LYS 168 174 174 LYS LYS D . n -D 4 169 SER 169 175 175 SER SER D . n -D 4 170 ASN 170 176 176 ASN ASN D . n -D 4 171 SER 171 177 177 SER SER D . n -D 4 172 ALA 172 178 178 ALA ALA D . n -D 4 173 VAL 173 179 179 VAL VAL D . n -D 4 174 ALA 174 180 180 ALA ALA D . n -D 4 175 TRP 175 181 181 TRP TRP D . n -D 4 176 SER 176 182 182 SER SER D . n -D 4 177 ASN 177 183 183 ASN ASN D . n -D 4 178 LYS 178 184 184 LYS LYS D . n -D 4 179 SER 179 185 185 SER SER D . n -D 4 180 ASP 180 186 186 ASP ASP D . n -D 4 181 PHE 181 187 187 PHE PHE D . n -D 4 182 ALA 182 188 188 ALA ALA D . n -D 4 183 CYS 183 189 189 CYS CYS D . n -D 4 184 ALA 184 190 190 ALA ALA D . n -D 4 185 ASN 185 191 191 ASN ASN D . n -D 4 186 ALA 186 192 192 ALA ALA D . n -D 4 187 PHE 187 193 193 PHE PHE D . n -D 4 188 ASN 188 194 194 ASN ASN D . n -D 4 189 ASN 189 195 195 ASN ASN D . n -D 4 190 SER 190 196 196 SER SER D . n -D 4 191 ILE 191 197 197 ILE ILE D . n -D 4 192 ILE 192 198 198 ILE ILE D . n -D 4 193 PRO 193 199 199 PRO PRO D . n -D 4 194 GLU 194 200 200 GLU GLU D . n -D 4 195 ASP 195 201 201 ASP ASP D . n -D 4 196 THR 196 202 202 THR THR D . n -D 4 197 PHE 197 203 203 PHE PHE D . n -D 4 198 PHE 198 204 ? ? ? D . n -D 4 199 PRO 199 205 ? ? ? D . n -D 4 200 SER 200 206 ? ? ? D . n -D 4 201 PRO 201 207 ? ? ? D . n -D 4 202 GLU 202 208 ? ? ? D . n -D 4 203 SER 203 209 ? ? ? D . n -D 4 204 SER 204 210 ? ? ? D . n -E 5 1 ASN 1 1 ? ? ? E . n -E 5 2 ALA 2 2 ? ? ? E . n -E 5 3 GLY 3 3 3 GLY GLY E . n -E 5 4 VAL 4 4 4 VAL VAL E . n -E 5 5 THR 5 5 5 THR THR E . n -E 5 6 GLN 6 6 6 GLN GLN E . n -E 5 7 THR 7 7 7 THR THR E . n -E 5 8 PRO 8 8 8 PRO PRO E . n -E 5 9 LYS 9 9 9 LYS LYS E . n -E 5 10 PHE 10 10 10 PHE PHE E . n -E 5 11 GLN 11 11 11 GLN GLN E . n -E 5 12 VAL 12 12 12 VAL VAL E . n -E 5 13 LEU 13 13 13 LEU LEU E . n -E 5 14 LYS 14 14 14 LYS LYS E . n -E 5 15 THR 15 15 15 THR THR E . n -E 5 16 GLY 16 16 16 GLY GLY E . n -E 5 17 GLN 17 17 17 GLN GLN E . n -E 5 18 SER 18 18 18 SER SER E . n -E 5 19 MET 19 19 19 MET MET E . n -E 5 20 THR 20 20 20 THR THR E . n -E 5 21 LEU 21 21 21 LEU LEU E . n -E 5 22 GLN 22 22 22 GLN GLN E . n -E 5 23 CYS 23 23 23 CYS CYS E . n -E 5 24 ALA 24 24 24 ALA ALA E . n -E 5 25 GLN 25 25 25 GLN GLN E . n -E 5 26 ASP 26 26 26 ASP ASP E . n -E 5 27 MET 27 27 27 MET MET E . n -E 5 28 ASN 28 28 28 ASN ASN E . n -E 5 29 HIS 29 29 29 HIS HIS E . n -E 5 30 GLU 30 30 30 GLU GLU E . n -E 5 31 TYR 31 31 31 TYR TYR E . n -E 5 32 MET 32 32 32 MET MET E . n -E 5 33 SER 33 33 33 SER SER E . n -E 5 34 TRP 34 34 34 TRP TRP E . n -E 5 35 TYR 35 35 35 TYR TYR E . n -E 5 36 ARG 36 36 36 ARG ARG E . n -E 5 37 GLN 37 37 37 GLN GLN E . n -E 5 38 ASP 38 38 38 ASP ASP E . n -E 5 39 PRO 39 39 39 PRO PRO E . n -E 5 40 GLY 40 40 40 GLY GLY E . n -E 5 41 MET 41 41 41 MET MET E . n -E 5 42 GLY 42 42 42 GLY GLY E . n -E 5 43 LEU 43 43 43 LEU LEU E . n -E 5 44 ARG 44 44 44 ARG ARG E . n -E 5 45 LEU 45 45 45 LEU LEU E . n -E 5 46 ILE 46 46 46 ILE ILE E . n -E 5 47 HIS 47 47 47 HIS HIS E . n -E 5 48 TYR 48 48 48 TYR TYR E . n -E 5 49 SER 49 49 49 SER SER E . n -E 5 50 VAL 50 50 50 VAL VAL E . n -E 5 51 GLY 51 51 51 GLY GLY E . n -E 5 52 ALA 52 52 52 ALA ALA E . n -E 5 53 GLY 53 53 53 GLY GLY E . n -E 5 54 ILE 54 54 54 ILE ILE E . n -E 5 55 THR 55 55 55 THR THR E . n -E 5 56 ASP 56 56 56 ASP ASP E . n -E 5 57 GLN 57 57 57 GLN GLN E . n -E 5 58 GLY 58 58 58 GLY GLY E . n -E 5 59 GLU 59 59 59 GLU GLU E . n -E 5 60 VAL 60 60 60 VAL VAL E . n -E 5 61 PRO 61 61 61 PRO PRO E . n -E 5 62 ASN 62 62 62 ASN ASN E . n -E 5 63 GLY 63 63 63 GLY GLY E . n -E 5 64 TYR 64 65 65 TYR TYR E . n -E 5 65 ASN 65 66 66 ASN ASN E . n -E 5 66 VAL 66 67 67 VAL VAL E . n -E 5 67 SER 67 68 68 SER SER E . n -E 5 68 ARG 68 69 69 ARG ARG E . n -E 5 69 SER 69 70 70 SER SER E . n -E 5 70 THR 70 71 71 THR THR E . n -E 5 71 THR 71 72 72 THR THR E . n -E 5 72 GLU 72 73 73 GLU GLU E . n -E 5 73 ASP 73 74 74 ASP ASP E . n -E 5 74 PHE 74 75 75 PHE PHE E . n -E 5 75 PRO 75 76 76 PRO PRO E . n -E 5 76 LEU 76 77 77 LEU LEU E . n -E 5 77 ARG 77 78 78 ARG ARG E . n -E 5 78 LEU 78 79 79 LEU LEU E . n -E 5 79 LEU 79 80 80 LEU LEU E . n -E 5 80 SER 80 81 81 SER SER E . n -E 5 81 ALA 81 82 82 ALA ALA E . n -E 5 82 ALA 82 83 83 ALA ALA E . n -E 5 83 PRO 83 84 84 PRO PRO E . n -E 5 84 SER 84 85 85 SER SER E . n -E 5 85 GLN 85 86 86 GLN GLN E . n -E 5 86 THR 86 87 87 THR THR E . n -E 5 87 SER 87 88 88 SER SER E . n -E 5 88 VAL 88 89 89 VAL VAL E . n -E 5 89 TYR 89 90 90 TYR TYR E . n -E 5 90 PHE 90 91 91 PHE PHE E . n -E 5 91 CYS 91 92 92 CYS CYS E . n -E 5 92 ALA 92 93 93 ALA ALA E . n -E 5 93 SER 93 94 94 SER SER E . n -E 5 94 SER 94 95 95 SER SER E . n -E 5 95 TYR 95 96 96 TYR TYR E . n -E 5 96 PRO 96 97 97 PRO PRO E . n -E 5 97 GLY 97 98 98 GLY GLY E . n -E 5 98 GLY 98 99 99 GLY GLY E . n -E 5 99 GLY 99 100 100 GLY GLY E . n -E 5 100 PHE 100 101 101 PHE PHE E . n -E 5 101 TYR 101 104 104 TYR TYR E . n -E 5 102 GLU 102 105 105 GLU GLU E . n -E 5 103 GLN 103 106 106 GLN GLN E . n -E 5 104 TYR 104 107 107 TYR TYR E . n -E 5 105 PHE 105 108 108 PHE PHE E . n -E 5 106 GLY 106 109 109 GLY GLY E . n -E 5 107 PRO 107 110 110 PRO PRO E . n -E 5 108 GLY 108 111 111 GLY GLY E . n -E 5 109 THR 109 112 112 THR THR E . n -E 5 110 ARG 110 113 113 ARG ARG E . n -E 5 111 LEU 111 114 114 LEU LEU E . n -E 5 112 THR 112 115 115 THR THR E . n -E 5 113 VAL 113 116 116 VAL VAL E . n -E 5 114 THR 114 117 117 THR THR E . n -E 5 115 GLU 115 118 118 GLU GLU E . n -E 5 116 ASP 116 119 119 ASP ASP E . n -E 5 117 LEU 117 120 120 LEU LEU E . n -E 5 118 LYS 118 121 121 LYS LYS E . n -E 5 119 ASN 119 122 122 ASN ASN E . n -E 5 120 VAL 120 123 123 VAL VAL E . n -E 5 121 PHE 121 124 124 PHE PHE E . n -E 5 122 PRO 122 125 125 PRO PRO E . n -E 5 123 PRO 123 126 126 PRO PRO E . n -E 5 124 GLU 124 127 127 GLU GLU E . n -E 5 125 VAL 125 128 128 VAL VAL E . n -E 5 126 ALA 126 129 129 ALA ALA E . n -E 5 127 VAL 127 130 130 VAL VAL E . n -E 5 128 PHE 128 131 131 PHE PHE E . n -E 5 129 GLU 129 132 132 GLU GLU E . n -E 5 130 PRO 130 133 133 PRO PRO E . n -E 5 131 SER 131 134 134 SER SER E . n -E 5 132 GLU 132 135 135 GLU GLU E . n -E 5 133 ALA 133 136 136 ALA ALA E . n -E 5 134 GLU 134 137 137 GLU GLU E . n -E 5 135 ILE 135 138 138 ILE ILE E . n -E 5 136 SER 136 139 139 SER SER E . n -E 5 137 HIS 137 140 140 HIS HIS E . n -E 5 138 THR 138 141 141 THR THR E . n -E 5 139 GLN 139 142 142 GLN GLN E . n -E 5 140 LYS 140 143 143 LYS LYS E . n -E 5 141 ALA 141 144 144 ALA ALA E . n -E 5 142 THR 142 145 145 THR THR E . n -E 5 143 LEU 143 146 146 LEU LEU E . n -E 5 144 VAL 144 147 147 VAL VAL E . n -E 5 145 CYS 145 148 148 CYS CYS E . n -E 5 146 LEU 146 149 149 LEU LEU E . n -E 5 147 ALA 147 150 150 ALA ALA E . n -E 5 148 THR 148 151 151 THR THR E . n -E 5 149 GLY 149 152 152 GLY GLY E . n -E 5 150 PHE 150 153 153 PHE PHE E . n -E 5 151 TYR 151 154 154 TYR TYR E . n -E 5 152 PRO 152 155 155 PRO PRO E . n -E 5 153 ASP 153 156 156 ASP ASP E . n -E 5 154 HIS 154 157 157 HIS HIS E . n -E 5 155 VAL 155 158 158 VAL VAL E . n -E 5 156 GLU 156 159 159 GLU GLU E . n -E 5 157 LEU 157 160 160 LEU LEU E . n -E 5 158 SER 158 161 161 SER SER E . n -E 5 159 TRP 159 162 162 TRP TRP E . n -E 5 160 TRP 160 163 163 TRP TRP E . n -E 5 161 VAL 161 164 164 VAL VAL E . n -E 5 162 ASN 162 165 165 ASN ASN E . n -E 5 163 GLY 163 166 166 GLY GLY E . n -E 5 164 LYS 164 167 167 LYS LYS E . n -E 5 165 GLU 165 168 168 GLU GLU E . n -E 5 166 VAL 166 169 169 VAL VAL E . n -E 5 167 HIS 167 170 170 HIS HIS E . n -E 5 168 SER 168 171 171 SER SER E . n -E 5 169 GLY 169 172 172 GLY GLY E . n -E 5 170 VAL 170 173 173 VAL VAL E . n -E 5 171 SER 171 174 174 SER SER E . n -E 5 172 THR 172 175 175 THR THR E . n -E 5 173 ASP 173 176 176 ASP ASP E . n -E 5 174 PRO 174 177 177 PRO PRO E . n -E 5 175 GLN 175 178 178 GLN GLN E . n -E 5 176 PRO 176 179 179 PRO PRO E . n -E 5 177 LEU 177 180 180 LEU LEU E . n -E 5 178 LYS 178 181 181 LYS LYS E . n -E 5 179 GLU 179 182 182 GLU GLU E . n -E 5 180 GLN 180 183 183 GLN GLN E . n -E 5 181 PRO 181 184 184 PRO PRO E . n -E 5 182 ALA 182 185 185 ALA ALA E . n -E 5 183 LEU 183 186 186 LEU LEU E . n -E 5 184 ASN 184 187 187 ASN ASN E . n -E 5 185 ASP 185 188 188 ASP ASP E . n -E 5 186 SER 186 189 189 SER SER E . n -E 5 187 ARG 187 190 190 ARG ARG E . n -E 5 188 TYR 188 191 191 TYR TYR E . n -E 5 189 ALA 189 192 192 ALA ALA E . n -E 5 190 LEU 190 193 193 LEU LEU E . n -E 5 191 SER 191 194 194 SER SER E . n -E 5 192 SER 192 195 195 SER SER E . n -E 5 193 ARG 193 196 196 ARG ARG E . n -E 5 194 LEU 194 197 197 LEU LEU E . n -E 5 195 ARG 195 198 198 ARG ARG E . n -E 5 196 VAL 196 199 199 VAL VAL E . n -E 5 197 SER 197 200 200 SER SER E . n -E 5 198 ALA 198 201 201 ALA ALA E . n -E 5 199 THR 199 202 202 THR THR E . n -E 5 200 PHE 200 203 203 PHE PHE E . n -E 5 201 TRP 201 204 204 TRP TRP E . n -E 5 202 GLN 202 205 205 GLN GLN E . n -E 5 203 ASP 203 206 206 ASP ASP E . n -E 5 204 PRO 204 207 207 PRO PRO E . n -E 5 205 ARG 205 208 208 ARG ARG E . n -E 5 206 ASN 206 209 209 ASN ASN E . n -E 5 207 HIS 207 210 210 HIS HIS E . n -E 5 208 PHE 208 211 211 PHE PHE E . n -E 5 209 ARG 209 212 212 ARG ARG E . n -E 5 210 CYS 210 213 213 CYS CYS E . n -E 5 211 GLN 211 214 214 GLN GLN E . n -E 5 212 VAL 212 215 215 VAL VAL E . n -E 5 213 GLN 213 216 216 GLN GLN E . n -E 5 214 PHE 214 217 217 PHE PHE E . n -E 5 215 TYR 215 218 218 TYR TYR E . n -E 5 216 GLY 216 219 219 GLY GLY E . n -E 5 217 LEU 217 220 220 LEU LEU E . n -E 5 218 SER 218 221 221 SER SER E . n -E 5 219 GLU 219 222 222 GLU GLU E . n -E 5 220 ASN 220 223 223 ASN ASN E . n -E 5 221 ASP 221 224 224 ASP ASP E . n -E 5 222 GLU 222 225 225 GLU GLU E . n -E 5 223 TRP 223 226 226 TRP TRP E . n -E 5 224 THR 224 227 227 THR THR E . n -E 5 225 GLN 225 228 228 GLN GLN E . n -E 5 226 ASP 226 229 229 ASP ASP E . n -E 5 227 ARG 227 230 230 ARG ARG E . n -E 5 228 ALA 228 231 231 ALA ALA E . n -E 5 229 LYS 229 232 232 LYS LYS E . n -E 5 230 PRO 230 233 233 PRO PRO E . n -E 5 231 VAL 231 234 234 VAL VAL E . n -E 5 232 THR 232 235 235 THR THR E . n -E 5 233 GLN 233 236 236 GLN GLN E . n -E 5 234 ILE 234 237 237 ILE ILE E . n -E 5 235 VAL 235 238 238 VAL VAL E . n -E 5 236 SER 236 239 239 SER SER E . n -E 5 237 ALA 237 240 240 ALA ALA E . n -E 5 238 GLU 238 241 241 GLU GLU E . n -E 5 239 ALA 239 242 242 ALA ALA E . n -E 5 240 TRP 240 243 243 TRP TRP E . n -E 5 241 GLY 241 244 244 GLY GLY E . n -E 5 242 ARG 242 245 245 ARG ARG E . n -E 5 243 ALA 243 246 246 ALA ALA E . n -E 5 244 ASP 244 247 247 ASP ASP E . n -# -loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -F 6 HOH 1 276 1 HOH HOH A . -F 6 HOH 2 277 16 HOH HOH A . -F 6 HOH 3 278 22 HOH HOH A . -F 6 HOH 4 279 23 HOH HOH A . -F 6 HOH 5 280 24 HOH HOH A . -F 6 HOH 6 281 28 HOH HOH A . -F 6 HOH 7 282 29 HOH HOH A . -F 6 HOH 8 283 35 HOH HOH A . -F 6 HOH 9 284 39 HOH HOH A . -G 6 HOH 1 100 31 HOH HOH B . -G 6 HOH 2 101 33 HOH HOH B . -G 6 HOH 3 102 36 HOH HOH B . -G 6 HOH 4 103 37 HOH HOH B . -G 6 HOH 5 104 38 HOH HOH B . -H 6 HOH 1 211 2 HOH HOH D . -H 6 HOH 2 212 7 HOH HOH D . -H 6 HOH 3 213 11 HOH HOH D . -H 6 HOH 4 214 12 HOH HOH D . -H 6 HOH 5 215 13 HOH HOH D . -H 6 HOH 6 216 15 HOH HOH D . -H 6 HOH 7 217 17 HOH HOH D . -H 6 HOH 8 218 18 HOH HOH D . -H 6 HOH 9 219 21 HOH HOH D . -H 6 HOH 10 220 25 HOH HOH D . -H 6 HOH 11 221 26 HOH HOH D . -H 6 HOH 12 222 32 HOH HOH D . -H 6 HOH 13 223 34 HOH HOH D . -I 6 HOH 1 248 3 HOH HOH E . -I 6 HOH 2 249 4 HOH HOH E . -I 6 HOH 3 250 5 HOH HOH E . -I 6 HOH 4 251 6 HOH HOH E . -I 6 HOH 5 252 8 HOH HOH E . -I 6 HOH 6 253 9 HOH HOH E . -I 6 HOH 7 254 10 HOH HOH E . -I 6 HOH 8 255 14 HOH HOH E . -I 6 HOH 9 256 19 HOH HOH E . -I 6 HOH 10 257 20 HOH HOH E . -I 6 HOH 11 258 27 HOH HOH E . -I 6 HOH 12 259 30 HOH HOH E . -# -loop_ -_pdbx_unobs_or_zero_occ_atoms.id -_pdbx_unobs_or_zero_occ_atoms.PDB_model_num -_pdbx_unobs_or_zero_occ_atoms.polymer_flag -_pdbx_unobs_or_zero_occ_atoms.occupancy_flag -_pdbx_unobs_or_zero_occ_atoms.auth_asym_id -_pdbx_unobs_or_zero_occ_atoms.auth_comp_id -_pdbx_unobs_or_zero_occ_atoms.auth_seq_id -_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code -_pdbx_unobs_or_zero_occ_atoms.auth_atom_id -_pdbx_unobs_or_zero_occ_atoms.label_alt_id -_pdbx_unobs_or_zero_occ_atoms.label_asym_id -_pdbx_unobs_or_zero_occ_atoms.label_comp_id -_pdbx_unobs_or_zero_occ_atoms.label_seq_id -_pdbx_unobs_or_zero_occ_atoms.label_atom_id -1 1 Y 1 A ARG 17 ? CB ? A ARG 17 CB -2 1 Y 1 A ARG 17 ? CG ? A ARG 17 CG -3 1 Y 1 A ARG 17 ? CD ? A ARG 17 CD -4 1 Y 1 A ARG 17 ? NE ? A ARG 17 NE -5 1 Y 1 A ARG 17 ? CZ ? A ARG 17 CZ -6 1 Y 1 A ARG 17 ? NH1 ? A ARG 17 NH1 -7 1 Y 1 A ARG 17 ? NH2 ? A ARG 17 NH2 -8 1 Y 1 A GLN 54 ? CB ? A GLN 54 CB -9 1 Y 1 A GLN 54 ? CG ? A GLN 54 CG -10 1 Y 1 A GLN 54 ? CD ? A GLN 54 CD -11 1 Y 1 A GLN 54 ? OE1 ? A GLN 54 OE1 -12 1 Y 1 A GLN 54 ? NE2 ? A GLN 54 NE2 -13 1 Y 1 A ARG 170 ? CG ? A ARG 170 CG -14 1 Y 1 A ARG 170 ? CD ? A ARG 170 CD -15 1 Y 1 A ARG 170 ? NE ? A ARG 170 NE -16 1 Y 1 A ARG 170 ? CZ ? A ARG 170 CZ -17 1 Y 1 A ARG 170 ? NH1 ? A ARG 170 NH1 -18 1 Y 1 A ARG 170 ? NH2 ? A ARG 170 NH2 -19 1 Y 1 A GLU 177 ? CB ? A GLU 177 CB -20 1 Y 1 A GLU 177 ? CG ? A GLU 177 CG -21 1 Y 1 A GLU 177 ? CD ? A GLU 177 CD -22 1 Y 1 A GLU 177 ? OE1 ? A GLU 177 OE1 -23 1 Y 1 A GLU 177 ? OE2 ? A GLU 177 OE2 -24 1 Y 1 A HIS 192 ? CB ? A HIS 192 CB -25 1 Y 1 A HIS 192 ? CG ? A HIS 192 CG -26 1 Y 1 A HIS 192 ? ND1 ? A HIS 192 ND1 -27 1 Y 1 A HIS 192 ? CD2 ? A HIS 192 CD2 -28 1 Y 1 A HIS 192 ? CE1 ? A HIS 192 CE1 -29 1 Y 1 A HIS 192 ? NE2 ? A HIS 192 NE2 -30 1 Y 1 A GLU 222 ? CG ? A GLU 222 CG -31 1 Y 1 A GLU 222 ? CD ? A GLU 222 CD -32 1 Y 1 A GLU 222 ? OE1 ? A GLU 222 OE1 -33 1 Y 1 A GLU 222 ? OE2 ? A GLU 222 OE2 -34 1 Y 1 A ASP 223 ? CB ? A ASP 223 CB -35 1 Y 1 A ASP 223 ? CG ? A ASP 223 CG -36 1 Y 1 A ASP 223 ? OD1 ? A ASP 223 OD1 -37 1 Y 1 A ASP 223 ? OD2 ? A ASP 223 OD2 -38 1 Y 1 A GLN 226 ? CG ? A GLN 226 CG -39 1 Y 1 A GLN 226 ? CD ? A GLN 226 CD -40 1 Y 1 A GLN 226 ? OE1 ? A GLN 226 OE1 -41 1 Y 1 A GLN 226 ? NE2 ? A GLN 226 NE2 -42 1 Y 1 A ARG 256 ? CG ? A ARG 256 CG -43 1 Y 1 A ARG 256 ? CD ? A ARG 256 CD -44 1 Y 1 A ARG 256 ? NE ? A ARG 256 NE -45 1 Y 1 A ARG 256 ? CZ ? A ARG 256 CZ -46 1 Y 1 A ARG 256 ? NH1 ? A ARG 256 NH1 -47 1 Y 1 A ARG 256 ? NH2 ? A ARG 256 NH2 -48 1 Y 1 A GLU 264 ? CG ? A GLU 264 CG -49 1 Y 1 A GLU 264 ? CD ? A GLU 264 CD -50 1 Y 1 A GLU 264 ? OE1 ? A GLU 264 OE1 -51 1 Y 1 A GLU 264 ? OE2 ? A GLU 264 OE2 -52 1 Y 1 A LYS 268 ? CG ? A LYS 268 CG -53 1 Y 1 A LYS 268 ? CD ? A LYS 268 CD -54 1 Y 1 A LYS 268 ? CE ? A LYS 268 CE -55 1 Y 1 A LYS 268 ? NZ ? A LYS 268 NZ -56 1 Y 1 A ARG 273 ? CG ? A ARG 273 CG -57 1 Y 1 A ARG 273 ? CD ? A ARG 273 CD -58 1 Y 1 A ARG 273 ? NE ? A ARG 273 NE -59 1 Y 1 A ARG 273 ? CZ ? A ARG 273 CZ -60 1 Y 1 A ARG 273 ? NH1 ? A ARG 273 NH1 -61 1 Y 1 A ARG 273 ? NH2 ? A ARG 273 NH2 -62 1 Y 1 B LYS 19 ? CG ? B LYS 20 CG -63 1 Y 1 B LYS 19 ? CD ? B LYS 20 CD -64 1 Y 1 B LYS 19 ? CE ? B LYS 20 CE -65 1 Y 1 B LYS 19 ? NZ ? B LYS 20 NZ -66 1 Y 1 B GLU 44 ? CB ? B GLU 45 CB -67 1 Y 1 B GLU 44 ? CG ? B GLU 45 CG -68 1 Y 1 B GLU 44 ? CD ? B GLU 45 CD -69 1 Y 1 B GLU 44 ? OE1 ? B GLU 45 OE1 -70 1 Y 1 B GLU 44 ? OE2 ? B GLU 45 OE2 -71 1 Y 1 B GLU 47 ? CB ? B GLU 48 CB -72 1 Y 1 B GLU 47 ? CG ? B GLU 48 CG -73 1 Y 1 B GLU 47 ? CD ? B GLU 48 CD -74 1 Y 1 B GLU 47 ? OE1 ? B GLU 48 OE1 -75 1 Y 1 B GLU 47 ? OE2 ? B GLU 48 OE2 -76 1 Y 1 B LYS 58 ? CB ? B LYS 59 CB -77 1 Y 1 B LYS 58 ? CG ? B LYS 59 CG -78 1 Y 1 B LYS 58 ? CD ? B LYS 59 CD -79 1 Y 1 B LYS 58 ? CE ? B LYS 59 CE -80 1 Y 1 B LYS 58 ? NZ ? B LYS 59 NZ -81 1 Y 1 B GLU 74 ? CB ? B GLU 75 CB -82 1 Y 1 B GLU 74 ? CG ? B GLU 75 CG -83 1 Y 1 B GLU 74 ? CD ? B GLU 75 CD -84 1 Y 1 B GLU 74 ? OE1 ? B GLU 75 OE1 -85 1 Y 1 B GLU 74 ? OE2 ? B GLU 75 OE2 -86 1 Y 1 D LYS 4 ? CG ? D LYS 4 CG -87 1 Y 1 D LYS 4 ? CD ? D LYS 4 CD -88 1 Y 1 D LYS 4 ? CE ? D LYS 4 CE -89 1 Y 1 D LYS 4 ? NZ ? D LYS 4 NZ -90 1 Y 1 D ARG 16 ? CG ? D ARG 16 CG -91 1 Y 1 D ARG 16 ? CD ? D ARG 16 CD -92 1 Y 1 D ARG 16 ? NE ? D ARG 16 NE -93 1 Y 1 D ARG 16 ? CZ ? D ARG 16 CZ -94 1 Y 1 D ARG 16 ? NH1 ? D ARG 16 NH1 -95 1 Y 1 D ARG 16 ? NH2 ? D ARG 16 NH2 -96 1 Y 1 D ILE 19 ? CG1 ? D ILE 19 CG1 -97 1 Y 1 D ILE 19 ? CG2 ? D ILE 19 CG2 -98 1 Y 1 D ILE 19 ? CD1 ? D ILE 19 CD1 -99 1 Y 1 D LEU 20 ? CG ? D LEU 20 CG -100 1 Y 1 D LEU 20 ? CD1 ? D LEU 20 CD1 -101 1 Y 1 D LEU 20 ? CD2 ? D LEU 20 CD2 -102 1 Y 1 D LYS 53 ? CG ? D LYS 53 CG -103 1 Y 1 D LYS 53 ? CD ? D LYS 53 CD -104 1 Y 1 D LYS 53 ? CE ? D LYS 53 CE -105 1 Y 1 D LYS 53 ? NZ ? D LYS 53 NZ -106 1 Y 1 D LYS 54 A CG ? D LYS 55 CG -107 1 Y 1 D LYS 54 A CD ? D LYS 55 CD -108 1 Y 1 D LYS 54 A CE ? D LYS 55 CE -109 1 Y 1 D LYS 54 A NZ ? D LYS 55 NZ -110 1 Y 1 D LYS 71 ? CG ? D LYS 70 CG -111 1 Y 1 D LYS 71 ? CD ? D LYS 70 CD -112 1 Y 1 D LYS 71 ? CE ? D LYS 70 CE -113 1 Y 1 D LYS 71 ? NZ ? D LYS 70 NZ -114 1 Y 1 D ILE 114 ? CG1 ? D ILE 108 CG1 -115 1 Y 1 D ILE 114 ? CG2 ? D ILE 108 CG2 -116 1 Y 1 D ILE 114 ? CD1 ? D ILE 108 CD1 -117 1 Y 1 D GLN 119 ? CG ? D GLN 113 CG -118 1 Y 1 D GLN 119 ? CD ? D GLN 113 CD -119 1 Y 1 D GLN 119 ? OE1 ? D GLN 113 OE1 -120 1 Y 1 D GLN 119 ? NE2 ? D GLN 113 NE2 -121 1 Y 1 D ARG 129 ? CG ? D ARG 123 CG -122 1 Y 1 D ARG 129 ? CD ? D ARG 123 CD -123 1 Y 1 D ARG 129 ? NE ? D ARG 123 NE -124 1 Y 1 D ARG 129 ? CZ ? D ARG 123 CZ -125 1 Y 1 D ARG 129 ? NH1 ? D ARG 123 NH1 -126 1 Y 1 D ARG 129 ? NH2 ? D ARG 123 NH2 -127 1 Y 1 D LYS 132 ? CG ? D LYS 126 CG -128 1 Y 1 D LYS 132 ? CD ? D LYS 126 CD -129 1 Y 1 D LYS 132 ? CE ? D LYS 126 CE -130 1 Y 1 D LYS 132 ? NZ ? D LYS 126 NZ -131 1 Y 1 D SER 137 ? OG ? D SER 131 OG -132 1 Y 1 D LYS 154 ? CG ? D LYS 148 CG -133 1 Y 1 D LYS 154 ? CD ? D LYS 148 CD -134 1 Y 1 D LYS 154 ? CE ? D LYS 148 CE -135 1 Y 1 D LYS 154 ? NZ ? D LYS 148 NZ -136 1 Y 1 D SER 156 ? OG ? D SER 150 OG -137 1 Y 1 D LYS 163 ? CG ? D LYS 157 CG -138 1 Y 1 D LYS 163 ? CD ? D LYS 157 CD -139 1 Y 1 D LYS 163 ? CE ? D LYS 157 CE -140 1 Y 1 D LYS 163 ? NZ ? D LYS 157 NZ -141 1 Y 1 D ARG 169 ? CG ? D ARG 163 CG -142 1 Y 1 D ARG 169 ? CD ? D ARG 163 CD -143 1 Y 1 D ARG 169 ? NE ? D ARG 163 NE -144 1 Y 1 D ARG 169 ? CZ ? D ARG 163 CZ -145 1 Y 1 D ARG 169 ? NH1 ? D ARG 163 NH1 -146 1 Y 1 D ARG 169 ? NH2 ? D ARG 163 NH2 -147 1 Y 1 D SER 185 ? OG ? D SER 179 OG -148 1 Y 1 D ASP 186 ? CG ? D ASP 180 CG -149 1 Y 1 D ASP 186 ? OD1 ? D ASP 180 OD1 -150 1 Y 1 D ASP 186 ? OD2 ? D ASP 180 OD2 -151 1 Y 1 D ASN 191 ? CG ? D ASN 185 CG -152 1 Y 1 D ASN 191 ? OD1 ? D ASN 185 OD1 -153 1 Y 1 D ASN 191 ? ND2 ? D ASN 185 ND2 -154 1 Y 1 D ASN 194 ? CG ? D ASN 188 CG -155 1 Y 1 D ASN 194 ? OD1 ? D ASN 188 OD1 -156 1 Y 1 D ASN 194 ? ND2 ? D ASN 188 ND2 -157 1 Y 1 D PRO 199 ? CG ? D PRO 193 CG -158 1 Y 1 D PRO 199 ? CD ? D PRO 193 CD -159 1 Y 1 E ASP 26 ? CG ? E ASP 26 CG -160 1 Y 1 E ASP 26 ? OD1 ? E ASP 26 OD1 -161 1 Y 1 E ASP 26 ? OD2 ? E ASP 26 OD2 -162 1 Y 1 E GLU 30 ? CG ? E GLU 30 CG -163 1 Y 1 E GLU 30 ? CD ? E GLU 30 CD -164 1 Y 1 E GLU 30 ? OE1 ? E GLU 30 OE1 -165 1 Y 1 E GLU 30 ? OE2 ? E GLU 30 OE2 -166 1 Y 1 E MET 41 ? CG ? E MET 41 CG -167 1 Y 1 E MET 41 ? SD ? E MET 41 SD -168 1 Y 1 E MET 41 ? CE ? E MET 41 CE -169 1 Y 1 E ARG 78 ? CG ? E ARG 77 CG -170 1 Y 1 E ARG 78 ? CD ? E ARG 77 CD -171 1 Y 1 E ARG 78 ? NE ? E ARG 77 NE -172 1 Y 1 E ARG 78 ? CZ ? E ARG 77 CZ -173 1 Y 1 E ARG 78 ? NH1 ? E ARG 77 NH1 -174 1 Y 1 E ARG 78 ? NH2 ? E ARG 77 NH2 -175 1 Y 1 E ASP 119 ? CG ? E ASP 116 CG -176 1 Y 1 E ASP 119 ? OD1 ? E ASP 116 OD1 -177 1 Y 1 E ASP 119 ? OD2 ? E ASP 116 OD2 -178 1 Y 1 E LYS 121 ? CG ? E LYS 118 CG -179 1 Y 1 E LYS 121 ? CD ? E LYS 118 CD -180 1 Y 1 E LYS 121 ? CE ? E LYS 118 CE -181 1 Y 1 E LYS 121 ? NZ ? E LYS 118 NZ -182 1 Y 1 E GLU 135 ? CG ? E GLU 132 CG -183 1 Y 1 E GLU 135 ? CD ? E GLU 132 CD -184 1 Y 1 E GLU 135 ? OE1 ? E GLU 132 OE1 -185 1 Y 1 E GLU 135 ? OE2 ? E GLU 132 OE2 -186 1 Y 1 E ILE 138 ? CG1 ? E ILE 135 CG1 -187 1 Y 1 E ILE 138 ? CG2 ? E ILE 135 CG2 -188 1 Y 1 E ILE 138 ? CD1 ? E ILE 135 CD1 -189 1 Y 1 E GLN 178 ? CG ? E GLN 175 CG -190 1 Y 1 E GLN 178 ? CD ? E GLN 175 CD -191 1 Y 1 E GLN 178 ? OE1 ? E GLN 175 OE1 -192 1 Y 1 E GLN 178 ? NE2 ? E GLN 175 NE2 -193 1 Y 1 E LYS 181 ? CG ? E LYS 178 CG -194 1 Y 1 E LYS 181 ? CD ? E LYS 178 CD -195 1 Y 1 E LYS 181 ? CE ? E LYS 178 CE -196 1 Y 1 E LYS 181 ? NZ ? E LYS 178 NZ -197 1 Y 1 E ASP 188 ? CG ? E ASP 185 CG -198 1 Y 1 E ASP 188 ? OD1 ? E ASP 185 OD1 -199 1 Y 1 E ASP 188 ? OD2 ? E ASP 185 OD2 -200 1 Y 1 E ARG 190 ? CG ? E ARG 187 CG -201 1 Y 1 E ARG 190 ? CD ? E ARG 187 CD -202 1 Y 1 E ARG 190 ? NE ? E ARG 187 NE -203 1 Y 1 E ARG 190 ? CZ ? E ARG 187 CZ -204 1 Y 1 E ARG 190 ? NH1 ? E ARG 187 NH1 -205 1 Y 1 E ARG 190 ? NH2 ? E ARG 187 NH2 -206 1 Y 1 E GLU 222 ? CG ? E GLU 219 CG -207 1 Y 1 E GLU 222 ? CD ? E GLU 219 CD -208 1 Y 1 E GLU 222 ? OE1 ? E GLU 219 OE1 -209 1 Y 1 E GLU 222 ? OE2 ? E GLU 219 OE2 -210 1 Y 1 E ASN 223 ? CG ? E ASN 220 CG -211 1 Y 1 E ASN 223 ? OD1 ? E ASN 220 OD1 -212 1 Y 1 E ASN 223 ? ND2 ? E ASN 220 ND2 -213 1 Y 1 E GLU 225 ? CG ? E GLU 222 CG -214 1 Y 1 E GLU 225 ? CD ? E GLU 222 CD -215 1 Y 1 E GLU 225 ? OE1 ? E GLU 222 OE1 -216 1 Y 1 E GLU 225 ? OE2 ? E GLU 222 OE2 -217 1 Y 1 E THR 227 ? OG1 ? E THR 224 OG1 -218 1 Y 1 E THR 227 ? CG2 ? E THR 224 CG2 -219 1 Y 1 E ASP 229 ? CB ? E ASP 226 CB -220 1 Y 1 E ASP 229 ? CG ? E ASP 226 CG -221 1 Y 1 E ASP 229 ? OD1 ? E ASP 226 OD1 -222 1 Y 1 E ASP 229 ? OD2 ? E ASP 226 OD2 -# -loop_ -_software.name -_software.classification -_software.version -_software.citation_id -_software.pdbx_ordinal -DENZO 'data reduction' . ? 1 -SCALEPACK 'data scaling' . ? 2 -X-PLOR 'model building' 3.851 ? 3 -X-PLOR refinement 3.851 ? 4 -X-PLOR phasing 3.851 ? 5 -# -_cell.entry_id 1BD2 -_cell.length_a 63.800 -_cell.length_b 73.300 -_cell.length_c 217.700 -_cell.angle_alpha 90.00 -_cell.angle_beta 90.00 -_cell.angle_gamma 90.00 -_cell.Z_PDB 4 -_cell.pdbx_unique_axis ? -_cell.length_a_esd ? -_cell.length_b_esd ? -_cell.length_c_esd ? -_cell.angle_alpha_esd ? -_cell.angle_beta_esd ? -_cell.angle_gamma_esd ? -# -_symmetry.entry_id 1BD2 -_symmetry.space_group_name_H-M 'P 21 21 21' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 19 -_symmetry.space_group_name_Hall ? -# -_exptl.entry_id 1BD2 -_exptl.method 'X-RAY DIFFRACTION' -_exptl.crystals_number 1 -# -_exptl_crystal.id 1 -_exptl_crystal.density_meas ? -_exptl_crystal.density_Matthews 2.68 -_exptl_crystal.density_percent_sol 58 -_exptl_crystal.description ? -_exptl_crystal.F_000 ? -_exptl_crystal.preparation ? -# -_exptl_crystal_grow.crystal_id 1 -_exptl_crystal_grow.method ? -_exptl_crystal_grow.temp ? -_exptl_crystal_grow.temp_details ? -_exptl_crystal_grow.pH 7.1 -_exptl_crystal_grow.pdbx_pH_range ? -_exptl_crystal_grow.pdbx_details '12% PEG8000, 20MM MOPS, 100MM MAGNESIUM ACETATE,PH7.1' -# -_diffrn.id 1 -_diffrn.ambient_temp 100 -_diffrn.ambient_temp_details ? -_diffrn.crystal_id 1 -# -_diffrn_detector.diffrn_id 1 -_diffrn_detector.detector CCD -_diffrn_detector.type 'ADSC QUANTUM' -_diffrn_detector.pdbx_collection_date 1997-02-05 -_diffrn_detector.details ? -# -_diffrn_radiation.diffrn_id 1 -_diffrn_radiation.wavelength_id 1 -_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M -_diffrn_radiation.monochromator ? -_diffrn_radiation.pdbx_diffrn_protocol ? -_diffrn_radiation.pdbx_scattering_type x-ray -# -_diffrn_radiation_wavelength.id 1 -_diffrn_radiation_wavelength.wavelength 0.908 -_diffrn_radiation_wavelength.wt 1.0 -# -_diffrn_source.diffrn_id 1 -_diffrn_source.source SYNCHROTRON -_diffrn_source.type 'CHESS BEAMLINE A1' -_diffrn_source.pdbx_synchrotron_site CHESS -_diffrn_source.pdbx_synchrotron_beamline A1 -_diffrn_source.pdbx_wavelength 0.908 -_diffrn_source.pdbx_wavelength_list ? -# -_reflns.entry_id 1BD2 -_reflns.observed_criterion_sigma_I -3.0 -_reflns.observed_criterion_sigma_F ? -_reflns.d_resolution_low 20 -_reflns.d_resolution_high 2.5 -_reflns.number_obs 33899 -_reflns.number_all ? -_reflns.percent_possible_obs 91.2 -_reflns.pdbx_Rmerge_I_obs 0.11 -_reflns.pdbx_Rsym_value ? -_reflns.pdbx_netI_over_sigmaI ? -_reflns.B_iso_Wilson_estimate 59.1 -_reflns.pdbx_redundancy 4.2 -_reflns.R_free_details ? -_reflns.limit_h_max ? -_reflns.limit_h_min ? -_reflns.limit_k_max ? -_reflns.limit_k_min ? -_reflns.limit_l_max ? -_reflns.limit_l_min ? -_reflns.observed_criterion_F_max ? -_reflns.observed_criterion_F_min ? -_reflns.pdbx_chi_squared ? -_reflns.pdbx_scaling_rejects ? -_reflns.pdbx_ordinal 1 -_reflns.pdbx_diffrn_id 1 -# -_reflns_shell.d_res_high 2.50 -_reflns_shell.d_res_low 2.59 -_reflns_shell.percent_possible_all 85.1 -_reflns_shell.Rmerge_I_obs 0.22 -_reflns_shell.pdbx_Rsym_value ? -_reflns_shell.meanI_over_sigI_obs ? -_reflns_shell.pdbx_redundancy ? -_reflns_shell.percent_possible_obs ? -_reflns_shell.number_unique_all ? -_reflns_shell.number_measured_all ? -_reflns_shell.number_measured_obs ? -_reflns_shell.number_unique_obs ? -_reflns_shell.pdbx_chi_squared ? -_reflns_shell.pdbx_ordinal 1 -_reflns_shell.pdbx_diffrn_id 1 -# -_refine.entry_id 1BD2 -_refine.ls_number_reflns_obs 31731 -_refine.ls_number_reflns_all ? -_refine.pdbx_ls_sigma_I ? -_refine.pdbx_ls_sigma_F 2.0 -_refine.pdbx_data_cutoff_high_absF 1000000 -_refine.pdbx_data_cutoff_low_absF 0.00001 -_refine.pdbx_data_cutoff_high_rms_absF ? -_refine.ls_d_res_low 8.0 -_refine.ls_d_res_high 2.5 -_refine.ls_percent_reflns_obs 90.6 -_refine.ls_R_factor_obs 0.238 -_refine.ls_R_factor_all ? -_refine.ls_R_factor_R_work 0.238 -_refine.ls_R_factor_R_free 0.312 -_refine.ls_R_factor_R_free_error 0.008 -_refine.ls_R_factor_R_free_error_details ? -_refine.ls_percent_reflns_R_free 5.2 -_refine.ls_number_reflns_R_free 1637 -_refine.ls_number_parameters ? -_refine.ls_number_restraints ? -_refine.occupancy_min ? -_refine.occupancy_max ? -_refine.B_iso_mean 41.1 -_refine.aniso_B[1][1] ? -_refine.aniso_B[2][2] ? -_refine.aniso_B[3][3] ? -_refine.aniso_B[1][2] ? -_refine.aniso_B[1][3] ? -_refine.aniso_B[2][3] ? -_refine.solvent_model_details ? -_refine.solvent_model_param_ksol ? -_refine.solvent_model_param_bsol ? -_refine.pdbx_ls_cross_valid_method THROUGHOUT -_refine.details ? -_refine.pdbx_starting_model 'PDB ENTRIES 1HHI AND 1AO7' -_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' -_refine.pdbx_isotropic_thermal_model RESTRAINED -_refine.pdbx_stereochemistry_target_values ? -_refine.pdbx_stereochem_target_val_spec_case ? -_refine.pdbx_R_Free_selection_details RANDOM -_refine.pdbx_overall_ESU_R ? -_refine.pdbx_overall_ESU_R_Free ? -_refine.overall_SU_ML ? -_refine.overall_SU_B ? -_refine.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine.ls_redundancy_reflns_obs ? -_refine.pdbx_overall_phase_error ? -_refine.B_iso_min ? -_refine.B_iso_max ? -_refine.correlation_coeff_Fo_to_Fc ? -_refine.correlation_coeff_Fo_to_Fc_free ? -_refine.pdbx_solvent_vdw_probe_radii ? -_refine.pdbx_solvent_ion_probe_radii ? -_refine.pdbx_solvent_shrinkage_radii ? -_refine.overall_SU_R_Cruickshank_DPI ? -_refine.overall_SU_R_free ? -_refine.ls_wR_factor_R_free ? -_refine.ls_wR_factor_R_work ? -_refine.overall_FOM_free_R_set ? -_refine.overall_FOM_work_R_set ? -_refine.pdbx_diffrn_id 1 -_refine.pdbx_TLS_residual_ADP_flag ? -_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? -_refine.pdbx_overall_SU_R_Blow_DPI ? -_refine.pdbx_overall_SU_R_free_Blow_DPI ? -# -_refine_analyze.entry_id 1BD2 -_refine_analyze.Luzzati_coordinate_error_obs 0.37 -_refine_analyze.Luzzati_sigma_a_obs 0.50 -_refine_analyze.Luzzati_d_res_low_obs 5.0 -_refine_analyze.Luzzati_coordinate_error_free 0.48 -_refine_analyze.Luzzati_sigma_a_free 0.58 -_refine_analyze.Luzzati_d_res_low_free ? -_refine_analyze.number_disordered_residues ? -_refine_analyze.occupancy_sum_hydrogen ? -_refine_analyze.occupancy_sum_non_hydrogen ? -_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine_analyze.pdbx_Luzzati_d_res_high_obs ? -# -_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine_hist.cycle_id LAST -_refine_hist.pdbx_number_atoms_protein 6339 -_refine_hist.pdbx_number_atoms_nucleic_acid 0 -_refine_hist.pdbx_number_atoms_ligand 0 -_refine_hist.number_atoms_solvent 39 -_refine_hist.number_atoms_total 6378 -_refine_hist.d_res_high 2.5 -_refine_hist.d_res_low 8.0 -# -loop_ -_refine_ls_restr.type -_refine_ls_restr.dev_ideal -_refine_ls_restr.dev_ideal_target -_refine_ls_restr.weight -_refine_ls_restr.number -_refine_ls_restr.pdbx_refine_id -_refine_ls_restr.pdbx_restraint_function -x_bond_d 0.010 ? ? ? 'X-RAY DIFFRACTION' ? -x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? -x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? -x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? -x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? -x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? -x_angle_deg 1.63 ? ? ? 'X-RAY DIFFRACTION' ? -x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? -x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? -x_dihedral_angle_d 27.42 ? ? ? 'X-RAY DIFFRACTION' ? -x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? -x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? -x_improper_angle_d 1.421 ? ? ? 'X-RAY DIFFRACTION' ? -x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? -x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? -x_mcbond_it 3.25 2.0 ? ? 'X-RAY DIFFRACTION' ? -x_mcangle_it 5.2 4.0 ? ? 'X-RAY DIFFRACTION' ? -x_scbond_it 4.92 2.0 ? ? 'X-RAY DIFFRACTION' ? -x_scangle_it 7.33 4.0 ? ? 'X-RAY DIFFRACTION' ? -# -_refine_ls_shell.pdbx_total_number_of_bins_used 8 -_refine_ls_shell.d_res_high 2.50 -_refine_ls_shell.d_res_low 2.61 -_refine_ls_shell.number_reflns_R_work 3450 -_refine_ls_shell.R_factor_R_work 0.38 -_refine_ls_shell.percent_reflns_obs 84.5 -_refine_ls_shell.R_factor_R_free 0.42 -_refine_ls_shell.R_factor_R_free_error 0.032 -_refine_ls_shell.percent_reflns_R_free 4.6 -_refine_ls_shell.number_reflns_R_free 168 -_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' -_refine_ls_shell.redundancy_reflns_obs ? -_refine_ls_shell.number_reflns_all ? -_refine_ls_shell.number_reflns_obs ? -_refine_ls_shell.R_factor_all ? -# -loop_ -_pdbx_xplor_file.serial_no -_pdbx_xplor_file.param_file -_pdbx_xplor_file.topol_file -_pdbx_xplor_file.pdbx_refine_id -1 PARHCSDX.PRO TOPH19.PEP 'X-RAY DIFFRACTION' -2 PARAM19.SOL TOPHCSDX.PRO 'X-RAY DIFFRACTION' -# -_database_PDB_matrix.entry_id 1BD2 -_database_PDB_matrix.origx[1][1] 1.000000 -_database_PDB_matrix.origx[1][2] 0.000000 -_database_PDB_matrix.origx[1][3] 0.000000 -_database_PDB_matrix.origx[2][1] 0.000000 -_database_PDB_matrix.origx[2][2] 1.000000 -_database_PDB_matrix.origx[2][3] 0.000000 -_database_PDB_matrix.origx[3][1] 0.000000 -_database_PDB_matrix.origx[3][2] 0.000000 -_database_PDB_matrix.origx[3][3] 1.000000 -_database_PDB_matrix.origx_vector[1] 0.00000 -_database_PDB_matrix.origx_vector[2] 0.00000 -_database_PDB_matrix.origx_vector[3] 0.00000 -# -_struct.entry_id 1BD2 -_struct.title -'COMPLEX BETWEEN HUMAN T-CELL RECEPTOR B7, VIRAL PEPTIDE (TAX) AND MHC CLASS I MOLECULE HLA-A 0201' -_struct.pdbx_model_details ? -_struct.pdbx_CASP_flag ? -_struct.pdbx_model_type_details ? -# -_struct_keywords.entry_id 1BD2 -_struct_keywords.pdbx_keywords 'COMPLEX (MHC/VIRAL PEPTIDE/RECEPTOR)' -_struct_keywords.text 'COMPLEX (MHC-VIRAL PEPTIDE-RECEPTOR), COMPLEX (MHC-VIRAL PEPTIDE-RECEPTOR) complex' -# -loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N N 1 ? -B N N 2 ? -C N N 3 ? -D N N 4 ? -E N N 5 ? -F N N 6 ? -G N N 6 ? -H N N 6 ? -I N N 6 ? -# -loop_ -_struct_ref.id -_struct_ref.db_name -_struct_ref.db_code -_struct_ref.entity_id -_struct_ref.pdbx_db_accession -_struct_ref.pdbx_align_begin -_struct_ref.pdbx_seq_one_letter_code -_struct_ref.pdbx_db_isoform -1 UNP 1A02_HUMAN 1 P01892 1 -;MAVMAPRTLVLLLSGALALTQTWAGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEG -PEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAA -DMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLT -WQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEPSSQPTIPIVGIIAGLVLFGA -VITGAVVAAVMWRRKSSDRKGGSYSQAASSDSAQGSDVSLTACKV -; -? -2 UNP B2MG_HUMAN 2 P61769 1 -;MSRSVALAVLALLSLSGLEAIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDW -SFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM -; -? -3 GB AAA60627 4 338766 1 -;MAMLLGASVLILWLQPDWVNSQQKNDDQQVKQNSPSLSVQEGRISILNCDYTNSMFDYFLWYKKYPAEGPTFLISISSIK -DKNEDGRFTVFLNKSAKHLSLHIVPSQPGDSAVYFCAAKGAGTASKLTFGTGTRLQVTLDIQNPDPAVYQLRDSKSSDKS -VCLFTDFDSQTNVSQSKDSDVYITDKTVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESSCDVKLVE -KSFETDTNLNFQNLSVIGFRILLLKVAGFNLLMTLRLWSS -; -? -4 GB AAC08953 5 3002925 1 -;MSIGLLCCAALSLLWAGPVNAGVTQTPKFQVLKTGQSMTLQCAQDMNHEYMSWYRQDPGMGLRLIHYSVGAGITDQGEVP -NGYNVSRSTTEDFPLRLLSAAPSQTSVYFCASSFPRQPSYNEQFFGPGTRLTVLEDLKNVFPPEVAVFEPSEAEISHTQK -ATLVCLATGFYPDHVELSWWVNGKEVHSGVSTDPQPLKEQPALNDSRYCLSSRLRVSATFWQNPRNHFRCQVQFYGLSEN -DEWTQDRAKPVTQIVSAEAWGRADCGFTSESYQQGVLSATILYEILLGKATLYAVLVSALVLMAMVKRKDSRG -; -? -5 PDB 1BD2 3 1BD2 ? ? ? -# -loop_ -_struct_ref_seq.align_id -_struct_ref_seq.ref_id -_struct_ref_seq.pdbx_PDB_id_code -_struct_ref_seq.pdbx_strand_id -_struct_ref_seq.seq_align_beg -_struct_ref_seq.pdbx_seq_align_beg_ins_code -_struct_ref_seq.seq_align_end -_struct_ref_seq.pdbx_seq_align_end_ins_code -_struct_ref_seq.pdbx_db_accession -_struct_ref_seq.db_align_beg -_struct_ref_seq.pdbx_db_align_beg_ins_code -_struct_ref_seq.db_align_end -_struct_ref_seq.pdbx_db_align_end_ins_code -_struct_ref_seq.pdbx_auth_seq_align_beg -_struct_ref_seq.pdbx_auth_seq_align_end -1 1 1BD2 A 1 ? 275 ? P01892 25 ? 299 ? 1 275 -2 2 1BD2 B 2 ? 100 ? P61769 21 ? 119 ? 1 99 -3 3 1BD2 D 1 ? 204 ? 338766 28 ? 233 ? 1 210 -4 4 1BD2 E 1 ? 244 ? 3002925 20 ? 264 ? 1 247 -5 5 1BD2 C 1 ? 9 ? 1BD2 1 ? 9 ? 1 9 -# -loop_ -_struct_ref_seq_dif.align_id -_struct_ref_seq_dif.pdbx_pdb_id_code -_struct_ref_seq_dif.mon_id -_struct_ref_seq_dif.pdbx_pdb_strand_id -_struct_ref_seq_dif.seq_num -_struct_ref_seq_dif.pdbx_pdb_ins_code -_struct_ref_seq_dif.pdbx_seq_db_name -_struct_ref_seq_dif.pdbx_seq_db_accession_code -_struct_ref_seq_dif.db_mon_id -_struct_ref_seq_dif.pdbx_seq_db_seq_num -_struct_ref_seq_dif.details -_struct_ref_seq_dif.pdbx_auth_seq_num -_struct_ref_seq_dif.pdbx_ordinal -3 1BD2 ALA D 57 ? GB 338766 GLU 84 conflict 56 1 -3 1BD2 ? D ? ? GB 338766 LYS 119 deletion ? 2 -3 1BD2 MET D 92 ? GB 338766 GLY 120 conflict 93 3 -3 1BD2 GLU D 93 ? GB 338766 ALA 121 conflict 94 4 -3 1BD2 ? D ? ? GB 338766 THR 123 deletion ? 5 -3 1BD2 GLN D 96 ? GB 338766 SER 125 conflict 102 6 -3 1BD2 VAL D 99 ? GB 338766 THR 128 conflict 105 7 -3 1BD2 GLN D 102 ? GB 338766 THR 131 conflict 108 8 -3 1BD2 THR D 107 ? GB 338766 GLN 136 conflict 113 9 -3 1BD2 ILE D 108 ? GB 338766 VAL 137 conflict 114 10 -3 1BD2 ASN D 109 ? GB 338766 THR 138 conflict 115 11 -3 1BD2 PRO D 110 ? GB 338766 LEU 139 conflict 116 12 -3 1BD2 ASN D 111 ? GB 338766 ASP 140 conflict 117 13 -4 1BD2 TYR E 95 ? GB 3002925 PHE 114 conflict 96 14 -4 1BD2 GLY E 97 ? GB 3002925 ARG 116 conflict 98 15 -4 1BD2 GLY E 98 ? GB 3002925 GLN 117 conflict 99 16 -4 1BD2 GLY E 99 ? GB 3002925 PRO 118 conflict 100 17 -4 1BD2 PHE E 100 ? GB 3002925 SER 119 conflict 101 18 -4 1BD2 ? E ? ? GB 3002925 ASN 121 deletion ? 19 -4 1BD2 TYR E 104 ? GB 3002925 PHE 124 conflict 107 20 -4 1BD2 THR E 114 ? GB 3002925 LEU 134 conflict 117 21 -4 1BD2 ALA E 189 ? GB 3002925 CYS 209 conflict 192 22 -4 1BD2 ASP E 203 ? GB 3002925 ASN 223 conflict 206 23 -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_and_software_defined_assembly -_pdbx_struct_assembly.method_details PISA -_pdbx_struct_assembly.oligomeric_details pentameric -_pdbx_struct_assembly.oligomeric_count 5 -# -loop_ -_pdbx_struct_assembly_prop.biol_id -_pdbx_struct_assembly_prop.type -_pdbx_struct_assembly_prop.value -_pdbx_struct_assembly_prop.details -1 'ABSA (A^2)' 10000 ? -1 MORE -57 ? -1 'SSA (A^2)' 36170 ? -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I -# -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 -_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 -_pdbx_struct_oper_list.vector[1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 -_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 -_pdbx_struct_oper_list.vector[2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 -_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 -_pdbx_struct_oper_list.vector[3] 0.0000000000 -# -_struct_biol.id 1 -_struct_biol.details ? -# -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 PRO A 57 ? TYR A 85 ? PRO A 57 TYR A 85 1 ? 29 -HELX_P HELX_P2 2 MET A 138 ? ALA A 149 ? MET A 138 ALA A 149 1 ? 12 -HELX_P HELX_P3 3 VAL A 152 ? GLU A 161 ? VAL A 152 GLU A 161 1 ? 10 -HELX_P HELX_P4 4 THR A 163 ? ASN A 174 ? THR A 163 ASN A 174 1 ? 12 -HELX_P HELX_P5 5 LYS A 176 ? LEU A 179 ? LYS A 176 LEU A 179 1 ? 4 -HELX_P HELX_P6 6 THR A 225 ? ASP A 227 ? THR A 225 ASP A 227 5 ? 3 -HELX_P HELX_P7 7 GLN A 253 ? ARG A 256 ? GLN A 253 ARG A 256 5 ? 4 -HELX_P HELX_P8 8 PRO D 81 ? ASP D 83 ? PRO D 82 ASP D 84 5 ? 3 -HELX_P HELX_P9 9 CYS D 183 ? ALA D 186 ? CYS D 189 ALA D 192 1 ? 4 -HELX_P HELX_P10 10 PRO E 83 ? GLN E 85 ? PRO E 84 GLN E 86 5 ? 3 -HELX_P HELX_P11 11 PRO E 96 ? GLY E 98 ? PRO E 97 GLY E 99 5 ? 3 -HELX_P HELX_P12 12 LEU E 117 ? ASN E 119 ? LEU E 120 ASN E 122 5 ? 3 -HELX_P HELX_P13 13 GLU E 132 ? THR E 138 ? GLU E 135 THR E 141 1 ? 7 -HELX_P HELX_P14 14 ALA E 198 ? TRP E 201 ? ALA E 201 TRP E 204 1 ? 4 -# -_struct_conf_type.id HELX_P -_struct_conf_type.criteria ? -_struct_conf_type.reference ? -# -loop_ -_struct_conn.id -_struct_conn.conn_type_id -_struct_conn.pdbx_leaving_atom_flag -_struct_conn.pdbx_PDB_id -_struct_conn.ptnr1_label_asym_id -_struct_conn.ptnr1_label_comp_id -_struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id -_struct_conn.ptnr1_symmetry -_struct_conn.ptnr2_label_asym_id -_struct_conn.ptnr2_label_comp_id -_struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id -_struct_conn.ptnr2_auth_asym_id -_struct_conn.ptnr2_auth_comp_id -_struct_conn.ptnr2_auth_seq_id -_struct_conn.ptnr2_symmetry -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_comp_id -_struct_conn.pdbx_ptnr3_label_asym_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details -_struct_conn.pdbx_dist_value -_struct_conn.pdbx_value_order -_struct_conn.pdbx_role -disulf1 disulf ? ? A CYS 101 SG ? ? ? 1_555 A CYS 164 SG ? ? A CYS 101 A CYS 164 1_555 ? ? ? ? ? ? ? 2.046 ? ? -disulf2 disulf ? ? A CYS 203 SG ? ? ? 1_555 A CYS 259 SG ? ? A CYS 203 A CYS 259 1_555 ? ? ? ? ? ? ? 2.028 ? ? -disulf3 disulf ? ? B CYS 26 SG ? ? ? 1_555 B CYS 81 SG ? ? B CYS 25 B CYS 80 1_555 ? ? ? ? ? ? ? 2.035 ? ? -disulf4 disulf ? ? D CYS 22 SG ? ? ? 1_555 D CYS 89 SG ? ? D CYS 22 D CYS 90 1_555 ? ? ? ? ? ? ? 2.033 ? ? -disulf5 disulf ? ? D CYS 133 SG ? ? ? 1_555 D CYS 183 SG ? ? D CYS 139 D CYS 189 1_555 ? ? ? ? ? ? ? 2.031 ? ? -disulf6 disulf ? ? E CYS 23 SG ? ? ? 1_555 E CYS 91 SG ? ? E CYS 23 E CYS 92 1_555 ? ? ? ? ? ? ? 2.014 ? ? -disulf7 disulf ? ? E CYS 145 SG ? ? ? 1_555 E CYS 210 SG ? ? E CYS 148 E CYS 213 1_555 ? ? ? ? ? ? ? 2.017 ? ? -# -_struct_conn_type.id disulf -_struct_conn_type.criteria ? -_struct_conn_type.reference ? -# -loop_ -_pdbx_modification_feature.ordinal -_pdbx_modification_feature.label_comp_id -_pdbx_modification_feature.label_asym_id -_pdbx_modification_feature.label_seq_id -_pdbx_modification_feature.label_alt_id -_pdbx_modification_feature.modified_residue_label_comp_id -_pdbx_modification_feature.modified_residue_label_asym_id -_pdbx_modification_feature.modified_residue_label_seq_id -_pdbx_modification_feature.modified_residue_label_alt_id -_pdbx_modification_feature.auth_comp_id -_pdbx_modification_feature.auth_asym_id -_pdbx_modification_feature.auth_seq_id -_pdbx_modification_feature.PDB_ins_code -_pdbx_modification_feature.symmetry -_pdbx_modification_feature.modified_residue_auth_comp_id -_pdbx_modification_feature.modified_residue_auth_asym_id -_pdbx_modification_feature.modified_residue_auth_seq_id -_pdbx_modification_feature.modified_residue_PDB_ins_code -_pdbx_modification_feature.modified_residue_symmetry -_pdbx_modification_feature.comp_id_linking_atom -_pdbx_modification_feature.modified_residue_id_linking_atom -_pdbx_modification_feature.modified_residue_id -_pdbx_modification_feature.ref_pcm_id -_pdbx_modification_feature.ref_comp_id -_pdbx_modification_feature.type -_pdbx_modification_feature.category -1 CYS A 101 ? CYS A 164 ? CYS A 101 ? 1_555 CYS A 164 ? 1_555 SG SG . . . None 'Disulfide bridge' -2 CYS A 203 ? CYS A 259 ? CYS A 203 ? 1_555 CYS A 259 ? 1_555 SG SG . . . None 'Disulfide bridge' -3 CYS B 26 ? CYS B 81 ? CYS B 25 ? 1_555 CYS B 80 ? 1_555 SG SG . . . None 'Disulfide bridge' -4 CYS D 22 ? CYS D 89 ? CYS D 22 ? 1_555 CYS D 90 ? 1_555 SG SG . . . None 'Disulfide bridge' -5 CYS D 133 ? CYS D 183 ? CYS D 139 ? 1_555 CYS D 189 ? 1_555 SG SG . . . None 'Disulfide bridge' -6 CYS E 23 ? CYS E 91 ? CYS E 23 ? 1_555 CYS E 92 ? 1_555 SG SG . . . None 'Disulfide bridge' -7 CYS E 145 ? CYS E 210 ? CYS E 148 ? 1_555 CYS E 213 ? 1_555 SG SG . . . None 'Disulfide bridge' -# -loop_ -_struct_mon_prot_cis.pdbx_id -_struct_mon_prot_cis.label_comp_id -_struct_mon_prot_cis.label_seq_id -_struct_mon_prot_cis.label_asym_id -_struct_mon_prot_cis.label_alt_id -_struct_mon_prot_cis.pdbx_PDB_ins_code -_struct_mon_prot_cis.auth_comp_id -_struct_mon_prot_cis.auth_seq_id -_struct_mon_prot_cis.auth_asym_id -_struct_mon_prot_cis.pdbx_label_comp_id_2 -_struct_mon_prot_cis.pdbx_label_seq_id_2 -_struct_mon_prot_cis.pdbx_label_asym_id_2 -_struct_mon_prot_cis.pdbx_PDB_ins_code_2 -_struct_mon_prot_cis.pdbx_auth_comp_id_2 -_struct_mon_prot_cis.pdbx_auth_seq_id_2 -_struct_mon_prot_cis.pdbx_auth_asym_id_2 -_struct_mon_prot_cis.pdbx_PDB_model_num -_struct_mon_prot_cis.pdbx_omega_angle -1 TYR 209 A . ? TYR 209 A PRO 210 A ? PRO 210 A 1 -2.04 -2 HIS 32 B . ? HIS 31 B PRO 33 B ? PRO 32 B 1 0.81 -3 VAL 77 D . ? VAL 78 D PRO 78 D ? PRO 79 D 1 0.05 -4 THR 7 E . ? THR 7 E PRO 8 E ? PRO 8 E 1 -0.17 -5 TYR 151 E . ? TYR 154 E PRO 152 E ? PRO 155 E 1 -1.59 -# -loop_ -_struct_sheet.id -_struct_sheet.type -_struct_sheet.number_strands -_struct_sheet.details -A ? 7 ? -B ? 4 ? -C ? 3 ? -D ? 3 ? -E ? 3 ? -F ? 5 ? -G ? 4 ? -H ? 2 ? -I ? 4 ? -J ? 2 ? -K ? 5 ? -L ? 3 ? -M ? 4 ? -N ? 4 ? -# -loop_ -_struct_sheet_order.sheet_id -_struct_sheet_order.range_id_1 -_struct_sheet_order.range_id_2 -_struct_sheet_order.offset -_struct_sheet_order.sense -A 1 2 ? anti-parallel -A 2 3 ? anti-parallel -A 3 4 ? anti-parallel -A 4 5 ? anti-parallel -A 5 6 ? anti-parallel -A 6 7 ? anti-parallel -B 1 2 ? anti-parallel -B 2 3 ? anti-parallel -B 3 4 ? anti-parallel -C 1 2 ? anti-parallel -C 2 3 ? anti-parallel -D 1 2 ? anti-parallel -D 2 3 ? anti-parallel -E 1 2 ? anti-parallel -E 2 3 ? anti-parallel -F 1 2 ? parallel -F 2 3 ? anti-parallel -F 3 4 ? anti-parallel -F 4 5 ? anti-parallel -G 1 2 ? anti-parallel -G 2 3 ? anti-parallel -G 3 4 ? anti-parallel -H 1 2 ? anti-parallel -I 1 2 ? anti-parallel -I 2 3 ? anti-parallel -I 3 4 ? anti-parallel -J 1 2 ? anti-parallel -K 1 2 ? parallel -K 2 3 ? anti-parallel -K 3 4 ? anti-parallel -K 4 5 ? anti-parallel -L 1 2 ? anti-parallel -L 2 3 ? anti-parallel -M 1 2 ? anti-parallel -M 2 3 ? anti-parallel -M 3 4 ? anti-parallel -N 1 2 ? anti-parallel -N 2 3 ? anti-parallel -N 3 4 ? anti-parallel -# -loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -A 1 THR A 31 ? ASP A 37 ? THR A 31 ASP A 37 -A 2 ARG A 21 ? VAL A 28 ? ARG A 21 VAL A 28 -A 3 HIS A 3 ? VAL A 12 ? HIS A 3 VAL A 12 -A 4 THR A 94 ? VAL A 103 ? THR A 94 VAL A 103 -A 5 PHE A 109 ? TYR A 118 ? PHE A 109 TYR A 118 -A 6 LYS A 121 ? LEU A 126 ? LYS A 121 LEU A 126 -A 7 TRP A 133 ? ALA A 135 ? TRP A 133 ALA A 135 -B 1 LYS A 186 ? HIS A 192 ? LYS A 186 HIS A 192 -B 2 GLU A 198 ? LEU A 206 ? GLU A 198 LEU A 206 -B 3 LYS A 243 ? PRO A 250 ? LYS A 243 PRO A 250 -B 4 THR A 228 ? LEU A 230 ? THR A 228 LEU A 230 -C 1 THR A 214 ? ARG A 219 ? THR A 214 ARG A 219 -C 2 TYR A 257 ? GLN A 262 ? TYR A 257 GLN A 262 -C 3 LEU A 270 ? ARG A 273 ? LEU A 270 ARG A 273 -D 1 LYS B 7 ? SER B 12 ? LYS B 6 SER B 11 -D 2 SER B 21 ? SER B 29 ? SER B 20 SER B 28 -D 3 LEU B 65 ? THR B 72 ? LEU B 64 THR B 71 -E 1 GLU B 37 ? LYS B 42 ? GLU B 36 LYS B 41 -E 2 TYR B 79 ? ASN B 84 ? TYR B 78 ASN B 83 -E 3 LYS B 92 ? LYS B 95 ? LYS B 91 LYS B 94 -F 1 SER D 9 ? GLN D 13 ? SER D 9 GLN D 13 -F 2 THR D 104 ? ASN D 109 ? THR D 110 ASN D 115 -F 3 ALA D 85 ? MET D 92 ? ALA D 86 MET D 93 -F 4 TYR D 31 ? LYS D 37 ? TYR D 31 LYS D 37 -F 5 PRO D 43 ? SER D 50 ? PRO D 43 SER D 50 -G 1 SER D 18 ? ASP D 23 ? SER D 18 ASP D 23 -G 2 HIS D 71 ? ILE D 76 ? HIS D 72 ILE D 77 -G 3 PHE D 61 ? ASN D 66 ? PHE D 62 ASN D 67 -G 4 LYS D 55 A ASP D 58 ? LYS D 54 ASP D 57 -H 1 ALA D 90 ? MET D 92 ? ALA D 91 MET D 93 -H 2 LEU D 98 ? PHE D 100 ? LEU D 104 PHE D 106 -I 1 ALA D 118 ? LEU D 122 ? ALA D 124 LEU D 128 -I 2 VAL D 132 ? THR D 136 ? VAL D 138 THR D 142 -I 3 LYS D 168 ? TRP D 175 ? LYS D 174 TRP D 181 -I 4 THR D 158 ? ASP D 161 ? THR D 164 ASP D 167 -J 1 VAL E 4 ? THR E 7 ? VAL E 4 THR E 7 -J 2 GLN E 22 ? GLN E 25 ? GLN E 22 GLN E 25 -K 1 PHE E 10 ? LYS E 14 ? PHE E 10 LYS E 14 -K 2 THR E 109 ? THR E 114 ? THR E 112 THR E 117 -K 3 SER E 87 ? SER E 94 ? SER E 88 SER E 95 -K 4 TYR E 31 ? GLN E 37 ? TYR E 31 GLN E 37 -K 5 LEU E 43 ? SER E 49 ? LEU E 43 SER E 49 -L 1 MET E 19 ? LEU E 21 ? MET E 19 LEU E 21 -L 2 LEU E 76 ? LEU E 78 ? LEU E 77 LEU E 79 -L 3 TYR E 64 ? VAL E 66 ? TYR E 65 VAL E 67 -M 1 GLU E 124 ? PHE E 128 ? GLU E 127 PHE E 131 -M 2 LYS E 140 ? PHE E 150 ? LYS E 143 PHE E 153 -M 3 TYR E 188 ? SER E 197 ? TYR E 191 SER E 200 -M 4 VAL E 170 ? THR E 172 ? VAL E 173 THR E 175 -N 1 LYS E 164 ? VAL E 166 ? LYS E 167 VAL E 169 -N 2 VAL E 155 ? VAL E 161 ? VAL E 158 VAL E 164 -N 3 HIS E 207 ? PHE E 214 ? HIS E 210 PHE E 217 -N 4 GLN E 233 ? TRP E 240 ? GLN E 236 TRP E 243 -# -loop_ -_pdbx_struct_sheet_hbond.sheet_id -_pdbx_struct_sheet_hbond.range_id_1 -_pdbx_struct_sheet_hbond.range_id_2 -_pdbx_struct_sheet_hbond.range_1_label_atom_id -_pdbx_struct_sheet_hbond.range_1_label_comp_id -_pdbx_struct_sheet_hbond.range_1_label_asym_id -_pdbx_struct_sheet_hbond.range_1_label_seq_id -_pdbx_struct_sheet_hbond.range_1_PDB_ins_code -_pdbx_struct_sheet_hbond.range_1_auth_atom_id -_pdbx_struct_sheet_hbond.range_1_auth_comp_id -_pdbx_struct_sheet_hbond.range_1_auth_asym_id -_pdbx_struct_sheet_hbond.range_1_auth_seq_id -_pdbx_struct_sheet_hbond.range_2_label_atom_id -_pdbx_struct_sheet_hbond.range_2_label_comp_id -_pdbx_struct_sheet_hbond.range_2_label_asym_id -_pdbx_struct_sheet_hbond.range_2_label_seq_id -_pdbx_struct_sheet_hbond.range_2_PDB_ins_code -_pdbx_struct_sheet_hbond.range_2_auth_atom_id -_pdbx_struct_sheet_hbond.range_2_auth_comp_id -_pdbx_struct_sheet_hbond.range_2_auth_asym_id -_pdbx_struct_sheet_hbond.range_2_auth_seq_id -A 1 2 O THR A 31 ? O THR A 31 N VAL A 28 ? N VAL A 28 -A 2 3 O ARG A 21 ? O ARG A 21 N VAL A 12 ? N VAL A 12 -A 3 4 O HIS A 3 ? O HIS A 3 N VAL A 103 ? N VAL A 103 -A 4 5 O GLN A 96 ? O GLN A 96 N ALA A 117 ? N ALA A 117 -A 5 6 O TYR A 116 ? O TYR A 116 N ILE A 124 ? N ILE A 124 -A 6 7 O ALA A 125 ? O ALA A 125 N THR A 134 ? N THR A 134 -B 1 2 O LYS A 186 ? O LYS A 186 N LEU A 206 ? N LEU A 206 -B 2 3 O ALA A 199 ? O ALA A 199 N VAL A 249 ? N VAL A 249 -B 3 4 O ALA A 246 ? O ALA A 246 N GLU A 229 ? N GLU A 229 -C 1 2 O THR A 214 ? O THR A 214 N GLN A 262 ? N GLN A 262 -C 2 3 O CYS A 259 ? O CYS A 259 N LEU A 272 ? N LEU A 272 -D 1 2 O LYS B 7 ? O LYS B 6 N SER B 29 ? N SER B 28 -D 2 3 O ASN B 22 ? O ASN B 21 N PHE B 71 ? N PHE B 70 -E 1 2 O GLU B 37 ? O GLU B 36 N ASN B 84 ? N ASN B 83 -E 2 3 O CYS B 81 ? O CYS B 80 N VAL B 94 ? N VAL B 93 -F 1 2 O LEU D 10 ? O LEU D 10 N ARG D 105 ? N ARG D 111 -F 2 3 O THR D 104 ? O THR D 110 N TYR D 87 ? N TYR D 88 -F 3 4 O VAL D 86 ? O VAL D 87 N LYS D 37 ? N LYS D 37 -F 4 5 O PHE D 32 ? O PHE D 32 N ILE D 49 ? N ILE D 49 -G 1 2 O SER D 18 ? O SER D 18 N ILE D 76 ? N ILE D 77 -G 2 3 O HIS D 71 ? O HIS D 72 N ASN D 66 ? N ASN D 67 -G 3 4 O PHE D 61 ? O PHE D 62 N ASP D 58 ? N ASP D 57 -H 1 2 O ALA D 91 ? O ALA D 92 N VAL D 99 ? N VAL D 105 -I 1 2 O ALA D 118 ? O ALA D 124 N THR D 136 ? N THR D 142 -I 2 3 O CYS D 133 ? O CYS D 139 N ALA D 174 ? N ALA D 180 -I 3 4 O SER D 169 ? O SER D 175 N LEU D 160 ? N LEU D 166 -J 1 2 O THR E 5 ? O THR E 5 N ALA E 24 ? N ALA E 24 -K 1 2 O GLN E 11 ? O GLN E 11 N ARG E 110 ? N ARG E 113 -K 2 3 O THR E 109 ? O THR E 112 N TYR E 89 ? N TYR E 90 -K 3 4 O VAL E 88 ? O VAL E 89 N GLN E 37 ? N GLN E 37 -K 4 5 O MET E 32 ? O MET E 32 N SER E 49 ? N SER E 49 -L 1 2 O MET E 19 ? O MET E 19 N LEU E 78 ? N LEU E 79 -L 2 3 O ARG E 77 ? O ARG E 78 N ASN E 65 ? N ASN E 66 -M 1 2 O GLU E 124 ? O GLU E 127 N THR E 148 ? N THR E 151 -M 2 3 O ALA E 141 ? O ALA E 144 N VAL E 196 ? N VAL E 199 -M 3 4 O ARG E 193 ? O ARG E 196 N SER E 171 ? N SER E 174 -N 1 2 O LYS E 164 ? O LYS E 167 N VAL E 161 ? N VAL E 164 -N 2 3 O GLU E 156 ? O GLU E 159 N GLN E 213 ? N GLN E 216 -N 3 4 O PHE E 208 ? O PHE E 211 N ALA E 239 ? N ALA E 242 -# -_pdbx_entry_details.entry_id 1BD2 -_pdbx_entry_details.compound_details ? -_pdbx_entry_details.source_details ? -_pdbx_entry_details.nonpolymer_details ? -_pdbx_entry_details.sequence_details ? -_pdbx_entry_details.has_ligand_of_interest ? -_pdbx_entry_details.has_protein_modification Y -# -loop_ -_pdbx_validate_torsion.id -_pdbx_validate_torsion.PDB_model_num -_pdbx_validate_torsion.auth_comp_id -_pdbx_validate_torsion.auth_asym_id -_pdbx_validate_torsion.auth_seq_id -_pdbx_validate_torsion.PDB_ins_code -_pdbx_validate_torsion.label_alt_id -_pdbx_validate_torsion.phi -_pdbx_validate_torsion.psi -1 1 ASP A 29 ? ? 60.62 -133.58 -2 1 LEU A 110 ? ? -138.16 -60.09 -3 1 HIS A 114 ? ? -174.93 109.91 -4 1 TYR A 123 ? ? -124.75 -57.75 -5 1 ALA A 136 ? ? -62.13 -78.74 -6 1 ASP A 137 ? ? -102.60 -156.73 -7 1 LYS A 176 ? ? -27.15 -66.88 -8 1 ASP A 196 ? ? -91.44 34.08 -9 1 HIS A 197 ? ? -156.47 -19.50 -10 1 PRO A 210 ? ? -63.69 -169.36 -11 1 ASP A 220 ? ? 59.21 6.83 -12 1 THR A 225 ? ? -26.86 -66.32 -13 1 ALA B 15 ? ? -55.02 100.08 -14 1 HIS B 31 ? ? -170.85 129.52 -15 1 GLU B 47 ? ? -58.85 -75.68 -16 1 PHE B 70 ? ? -174.61 145.29 -17 1 ARG B 97 ? ? -59.46 -1.08 -18 1 SER D 7 ? ? 60.31 88.41 -19 1 THR D 25 ? ? -106.26 -74.57 -20 1 ILE D 47 ? ? 176.96 151.05 -21 1 ARG D 61 ? ? 89.98 -25.40 -22 1 ASN D 67 ? ? -154.23 75.28 -23 1 ALA D 86 ? ? 177.01 172.91 -24 1 GLU D 94 ? ? -118.76 72.29 -25 1 ASP D 122 ? ? -162.84 89.48 -26 1 ALA D 124 ? ? -179.09 147.84 -27 1 SER D 146 ? ? -64.87 8.61 -28 1 VAL D 150 ? ? 73.67 102.73 -29 1 ASN D 183 ? ? -92.00 59.15 -30 1 SER D 185 ? ? -67.82 -71.52 -31 1 ALA D 192 ? ? -4.47 -77.99 -32 1 ASN D 195 ? ? 136.76 119.35 -33 1 SER D 196 ? ? 47.56 91.14 -34 1 PRO D 199 ? ? 64.56 165.82 -35 1 GLU D 200 ? ? 45.48 74.11 -36 1 THR D 202 ? ? -49.34 172.32 -37 1 ILE E 46 ? ? -100.80 -60.15 -38 1 VAL E 60 ? ? -113.92 72.23 -39 1 ARG E 69 ? ? -152.07 79.18 -40 1 SER E 81 ? ? -161.15 100.91 -41 1 ASP E 156 ? ? -67.38 16.34 -42 1 GLN E 183 ? ? -159.45 72.71 -43 1 PRO E 233 ? ? -72.70 49.12 -44 1 ALA E 246 ? ? -179.19 73.21 -# -loop_ -_pdbx_unobs_or_zero_occ_residues.id -_pdbx_unobs_or_zero_occ_residues.PDB_model_num -_pdbx_unobs_or_zero_occ_residues.polymer_flag -_pdbx_unobs_or_zero_occ_residues.occupancy_flag -_pdbx_unobs_or_zero_occ_residues.auth_asym_id -_pdbx_unobs_or_zero_occ_residues.auth_comp_id -_pdbx_unobs_or_zero_occ_residues.auth_seq_id -_pdbx_unobs_or_zero_occ_residues.PDB_ins_code -_pdbx_unobs_or_zero_occ_residues.label_asym_id -_pdbx_unobs_or_zero_occ_residues.label_comp_id -_pdbx_unobs_or_zero_occ_residues.label_seq_id -1 1 Y 1 B MET 0 ? B MET 1 -2 1 Y 1 D SER 133 ? D SER 127 -3 1 Y 1 D SER 134 ? D SER 128 -4 1 Y 1 D ASP 135 ? D ASP 129 -5 1 Y 1 D LYS 136 ? D LYS 130 -6 1 Y 1 D SER 170 ? D SER 164 -7 1 Y 1 D MET 171 ? D MET 165 -8 1 Y 1 D ASP 172 ? D ASP 166 -9 1 Y 1 D PHE 204 ? D PHE 198 -10 1 Y 1 D PRO 205 ? D PRO 199 -11 1 Y 1 D SER 206 ? D SER 200 -12 1 Y 1 D PRO 207 ? D PRO 201 -13 1 Y 1 D GLU 208 ? D GLU 202 -14 1 Y 1 D SER 209 ? D SER 203 -15 1 Y 1 D SER 210 ? D SER 204 -16 1 Y 1 E ASN 1 ? E ASN 1 -17 1 Y 1 E ALA 2 ? E ALA 2 -# -loop_ -_chem_comp_atom.comp_id -_chem_comp_atom.atom_id -_chem_comp_atom.type_symbol -_chem_comp_atom.pdbx_aromatic_flag -_chem_comp_atom.pdbx_stereo_config -_chem_comp_atom.pdbx_ordinal -ALA N N N N 1 -ALA CA C N S 2 -ALA C C N N 3 -ALA O O N N 4 -ALA CB C N N 5 -ALA OXT O N N 6 -ALA H H N N 7 -ALA H2 H N N 8 -ALA HA H N N 9 -ALA HB1 H N N 10 -ALA HB2 H N N 11 -ALA HB3 H N N 12 -ALA HXT H N N 13 -ARG N N N N 14 -ARG CA C N S 15 -ARG C C N N 16 -ARG O O N N 17 -ARG CB C N N 18 -ARG CG C N N 19 -ARG CD C N N 20 -ARG NE N N N 21 -ARG CZ C N N 22 -ARG NH1 N N N 23 -ARG NH2 N N N 24 -ARG OXT O N N 25 -ARG H H N N 26 -ARG H2 H N N 27 -ARG HA H N N 28 -ARG HB2 H N N 29 -ARG HB3 H N N 30 -ARG HG2 H N N 31 -ARG HG3 H N N 32 -ARG HD2 H N N 33 -ARG HD3 H N N 34 -ARG HE H N N 35 -ARG HH11 H N N 36 -ARG HH12 H N N 37 -ARG HH21 H N N 38 -ARG HH22 H N N 39 -ARG HXT H N N 40 -ASN N N N N 41 -ASN CA C N S 42 -ASN C C N N 43 -ASN O O N N 44 -ASN CB C N N 45 -ASN CG C N N 46 -ASN OD1 O N N 47 -ASN ND2 N N N 48 -ASN OXT O N N 49 -ASN H H N N 50 -ASN H2 H N N 51 -ASN HA H N N 52 -ASN HB2 H N N 53 -ASN HB3 H N N 54 -ASN HD21 H N N 55 -ASN HD22 H N N 56 -ASN HXT H N N 57 -ASP N N N N 58 -ASP CA C N S 59 -ASP C C N N 60 -ASP O O N N 61 -ASP CB C N N 62 -ASP CG C N N 63 -ASP OD1 O N N 64 -ASP OD2 O N N 65 -ASP OXT O N N 66 -ASP H H N N 67 -ASP H2 H N N 68 -ASP HA H N N 69 -ASP HB2 H N N 70 -ASP HB3 H N N 71 -ASP HD2 H N N 72 -ASP HXT H N N 73 -CYS N N N N 74 -CYS CA C N R 75 -CYS C C N N 76 -CYS O O N N 77 -CYS CB C N N 78 -CYS SG S N N 79 -CYS OXT O N N 80 -CYS H H N N 81 -CYS H2 H N N 82 -CYS HA H N N 83 -CYS HB2 H N N 84 -CYS HB3 H N N 85 -CYS HG H N N 86 -CYS HXT H N N 87 -GLN N N N N 88 -GLN CA C N S 89 -GLN C C N N 90 -GLN O O N N 91 -GLN CB C N N 92 -GLN CG C N N 93 -GLN CD C N N 94 -GLN OE1 O N N 95 -GLN NE2 N N N 96 -GLN OXT O N N 97 -GLN H H N N 98 -GLN H2 H N N 99 -GLN HA H N N 100 -GLN HB2 H N N 101 -GLN HB3 H N N 102 -GLN HG2 H N N 103 -GLN HG3 H N N 104 -GLN HE21 H N N 105 -GLN HE22 H N N 106 -GLN HXT H N N 107 -GLU N N N N 108 -GLU CA C N S 109 -GLU C C N N 110 -GLU O O N N 111 -GLU CB C N N 112 -GLU CG C N N 113 -GLU CD C N N 114 -GLU OE1 O N N 115 -GLU OE2 O N N 116 -GLU OXT O N N 117 -GLU H H N N 118 -GLU H2 H N N 119 -GLU HA H N N 120 -GLU HB2 H N N 121 -GLU HB3 H N N 122 -GLU HG2 H N N 123 -GLU HG3 H N N 124 -GLU HE2 H N N 125 -GLU HXT H N N 126 -GLY N N N N 127 -GLY CA C N N 128 -GLY C C N N 129 -GLY O O N N 130 -GLY OXT O N N 131 -GLY H H N N 132 -GLY H2 H N N 133 -GLY HA2 H N N 134 -GLY HA3 H N N 135 -GLY HXT H N N 136 -HIS N N N N 137 -HIS CA C N S 138 -HIS C C N N 139 -HIS O O N N 140 -HIS CB C N N 141 -HIS CG C Y N 142 -HIS ND1 N Y N 143 -HIS CD2 C Y N 144 -HIS CE1 C Y N 145 -HIS NE2 N Y N 146 -HIS OXT O N N 147 -HIS H H N N 148 -HIS H2 H N N 149 -HIS HA H N N 150 -HIS HB2 H N N 151 -HIS HB3 H N N 152 -HIS HD1 H N N 153 -HIS HD2 H N N 154 -HIS HE1 H N N 155 -HIS HE2 H N N 156 -HIS HXT H N N 157 -HOH O O N N 158 -HOH H1 H N N 159 -HOH H2 H N N 160 -ILE N N N N 161 -ILE CA C N S 162 -ILE C C N N 163 -ILE O O N N 164 -ILE CB C N S 165 -ILE CG1 C N N 166 -ILE CG2 C N N 167 -ILE CD1 C N N 168 -ILE OXT O N N 169 -ILE H H N N 170 -ILE H2 H N N 171 -ILE HA H N N 172 -ILE HB H N N 173 -ILE HG12 H N N 174 -ILE HG13 H N N 175 -ILE HG21 H N N 176 -ILE HG22 H N N 177 -ILE HG23 H N N 178 -ILE HD11 H N N 179 -ILE HD12 H N N 180 -ILE HD13 H N N 181 -ILE HXT H N N 182 -LEU N N N N 183 -LEU CA C N S 184 -LEU C C N N 185 -LEU O O N N 186 -LEU CB C N N 187 -LEU CG C N N 188 -LEU CD1 C N N 189 -LEU CD2 C N N 190 -LEU OXT O N N 191 -LEU H H N N 192 -LEU H2 H N N 193 -LEU HA H N N 194 -LEU HB2 H N N 195 -LEU HB3 H N N 196 -LEU HG H N N 197 -LEU HD11 H N N 198 -LEU HD12 H N N 199 -LEU HD13 H N N 200 -LEU HD21 H N N 201 -LEU HD22 H N N 202 -LEU HD23 H N N 203 -LEU HXT H N N 204 -LYS N N N N 205 -LYS CA C N S 206 -LYS C C N N 207 -LYS O O N N 208 -LYS CB C N N 209 -LYS CG C N N 210 -LYS CD C N N 211 -LYS CE C N N 212 -LYS NZ N N N 213 -LYS OXT O N N 214 -LYS H H N N 215 -LYS H2 H N N 216 -LYS HA H N N 217 -LYS HB2 H N N 218 -LYS HB3 H N N 219 -LYS HG2 H N N 220 -LYS HG3 H N N 221 -LYS HD2 H N N 222 -LYS HD3 H N N 223 -LYS HE2 H N N 224 -LYS HE3 H N N 225 -LYS HZ1 H N N 226 -LYS HZ2 H N N 227 -LYS HZ3 H N N 228 -LYS HXT H N N 229 -MET N N N N 230 -MET CA C N S 231 -MET C C N N 232 -MET O O N N 233 -MET CB C N N 234 -MET CG C N N 235 -MET SD S N N 236 -MET CE C N N 237 -MET OXT O N N 238 -MET H H N N 239 -MET H2 H N N 240 -MET HA H N N 241 -MET HB2 H N N 242 -MET HB3 H N N 243 -MET HG2 H N N 244 -MET HG3 H N N 245 -MET HE1 H N N 246 -MET HE2 H N N 247 -MET HE3 H N N 248 -MET HXT H N N 249 -PHE N N N N 250 -PHE CA C N S 251 -PHE C C N N 252 -PHE O O N N 253 -PHE CB C N N 254 -PHE CG C Y N 255 -PHE CD1 C Y N 256 -PHE CD2 C Y N 257 -PHE CE1 C Y N 258 -PHE CE2 C Y N 259 -PHE CZ C Y N 260 -PHE OXT O N N 261 -PHE H H N N 262 -PHE H2 H N N 263 -PHE HA H N N 264 -PHE HB2 H N N 265 -PHE HB3 H N N 266 -PHE HD1 H N N 267 -PHE HD2 H N N 268 -PHE HE1 H N N 269 -PHE HE2 H N N 270 -PHE HZ H N N 271 -PHE HXT H N N 272 -PRO N N N N 273 -PRO CA C N S 274 -PRO C C N N 275 -PRO O O N N 276 -PRO CB C N N 277 -PRO CG C N N 278 -PRO CD C N N 279 -PRO OXT O N N 280 -PRO H H N N 281 -PRO HA H N N 282 -PRO HB2 H N N 283 -PRO HB3 H N N 284 -PRO HG2 H N N 285 -PRO HG3 H N N 286 -PRO HD2 H N N 287 -PRO HD3 H N N 288 -PRO HXT H N N 289 -SER N N N N 290 -SER CA C N S 291 -SER C C N N 292 -SER O O N N 293 -SER CB C N N 294 -SER OG O N N 295 -SER OXT O N N 296 -SER H H N N 297 -SER H2 H N N 298 -SER HA H N N 299 -SER HB2 H N N 300 -SER HB3 H N N 301 -SER HG H N N 302 -SER HXT H N N 303 -THR N N N N 304 -THR CA C N S 305 -THR C C N N 306 -THR O O N N 307 -THR CB C N R 308 -THR OG1 O N N 309 -THR CG2 C N N 310 -THR OXT O N N 311 -THR H H N N 312 -THR H2 H N N 313 -THR HA H N N 314 -THR HB H N N 315 -THR HG1 H N N 316 -THR HG21 H N N 317 -THR HG22 H N N 318 -THR HG23 H N N 319 -THR HXT H N N 320 -TRP N N N N 321 -TRP CA C N S 322 -TRP C C N N 323 -TRP O O N N 324 -TRP CB C N N 325 -TRP CG C Y N 326 -TRP CD1 C Y N 327 -TRP CD2 C Y N 328 -TRP NE1 N Y N 329 -TRP CE2 C Y N 330 -TRP CE3 C Y N 331 -TRP CZ2 C Y N 332 -TRP CZ3 C Y N 333 -TRP CH2 C Y N 334 -TRP OXT O N N 335 -TRP H H N N 336 -TRP H2 H N N 337 -TRP HA H N N 338 -TRP HB2 H N N 339 -TRP HB3 H N N 340 -TRP HD1 H N N 341 -TRP HE1 H N N 342 -TRP HE3 H N N 343 -TRP HZ2 H N N 344 -TRP HZ3 H N N 345 -TRP HH2 H N N 346 -TRP HXT H N N 347 -TYR N N N N 348 -TYR CA C N S 349 -TYR C C N N 350 -TYR O O N N 351 -TYR CB C N N 352 -TYR CG C Y N 353 -TYR CD1 C Y N 354 -TYR CD2 C Y N 355 -TYR CE1 C Y N 356 -TYR CE2 C Y N 357 -TYR CZ C Y N 358 -TYR OH O N N 359 -TYR OXT O N N 360 -TYR H H N N 361 -TYR H2 H N N 362 -TYR HA H N N 363 -TYR HB2 H N N 364 -TYR HB3 H N N 365 -TYR HD1 H N N 366 -TYR HD2 H N N 367 -TYR HE1 H N N 368 -TYR HE2 H N N 369 -TYR HH H N N 370 -TYR HXT H N N 371 -VAL N N N N 372 -VAL CA C N S 373 -VAL C C N N 374 -VAL O O N N 375 -VAL CB C N N 376 -VAL CG1 C N N 377 -VAL CG2 C N N 378 -VAL OXT O N N 379 -VAL H H N N 380 -VAL H2 H N N 381 -VAL HA H N N 382 -VAL HB H N N 383 -VAL HG11 H N N 384 -VAL HG12 H N N 385 -VAL HG13 H N N 386 -VAL HG21 H N N 387 -VAL HG22 H N N 388 -VAL HG23 H N N 389 -VAL HXT H N N 390 -# -loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -ALA N CA sing N N 1 -ALA N H sing N N 2 -ALA N H2 sing N N 3 -ALA CA C sing N N 4 -ALA CA CB sing N N 5 -ALA CA HA sing N N 6 -ALA C O doub N N 7 -ALA C OXT sing N N 8 -ALA CB HB1 sing N N 9 -ALA CB HB2 sing N N 10 -ALA CB HB3 sing N N 11 -ALA OXT HXT sing N N 12 -ARG N CA sing N N 13 -ARG N H sing N N 14 -ARG N H2 sing N N 15 -ARG CA C sing N N 16 -ARG CA CB sing N N 17 -ARG CA HA sing N N 18 -ARG C O doub N N 19 -ARG C OXT sing N N 20 -ARG CB CG sing N N 21 -ARG CB HB2 sing N N 22 -ARG CB HB3 sing N N 23 -ARG CG CD sing N N 24 -ARG CG HG2 sing N N 25 -ARG CG HG3 sing N N 26 -ARG CD NE sing N N 27 -ARG CD HD2 sing N N 28 -ARG CD HD3 sing N N 29 -ARG NE CZ sing N N 30 -ARG NE HE sing N N 31 -ARG CZ NH1 sing N N 32 -ARG CZ NH2 doub N N 33 -ARG NH1 HH11 sing N N 34 -ARG NH1 HH12 sing N N 35 -ARG NH2 HH21 sing N N 36 -ARG NH2 HH22 sing N N 37 -ARG OXT HXT sing N N 38 -ASN N CA sing N N 39 -ASN N H sing N N 40 -ASN N H2 sing N N 41 -ASN CA C sing N N 42 -ASN CA CB sing N N 43 -ASN CA HA sing N N 44 -ASN C O doub N N 45 -ASN C OXT sing N N 46 -ASN CB CG sing N N 47 -ASN CB HB2 sing N N 48 -ASN CB HB3 sing N N 49 -ASN CG OD1 doub N N 50 -ASN CG ND2 sing N N 51 -ASN ND2 HD21 sing N N 52 -ASN ND2 HD22 sing N N 53 -ASN OXT HXT sing N N 54 -ASP N CA sing N N 55 -ASP N H sing N N 56 -ASP N H2 sing N N 57 -ASP CA C sing N N 58 -ASP CA CB sing N N 59 -ASP CA HA sing N N 60 -ASP C O doub N N 61 -ASP C OXT sing N N 62 -ASP CB CG sing N N 63 -ASP CB HB2 sing N N 64 -ASP CB HB3 sing N N 65 -ASP CG OD1 doub N N 66 -ASP CG OD2 sing N N 67 -ASP OD2 HD2 sing N N 68 -ASP OXT HXT sing N N 69 -CYS N CA sing N N 70 -CYS N H sing N N 71 -CYS N H2 sing N N 72 -CYS CA C sing N N 73 -CYS CA CB sing N N 74 -CYS CA HA sing N N 75 -CYS C O doub N N 76 -CYS C OXT sing N N 77 -CYS CB SG sing N N 78 -CYS CB HB2 sing N N 79 -CYS CB HB3 sing N N 80 -CYS SG HG sing N N 81 -CYS OXT HXT sing N N 82 -GLN N CA sing N N 83 -GLN N H sing N N 84 -GLN N H2 sing N N 85 -GLN CA C sing N N 86 -GLN CA CB sing N N 87 -GLN CA HA sing N N 88 -GLN C O doub N N 89 -GLN C OXT sing N N 90 -GLN CB CG sing N N 91 -GLN CB HB2 sing N N 92 -GLN CB HB3 sing N N 93 -GLN CG CD sing N N 94 -GLN CG HG2 sing N N 95 -GLN CG HG3 sing N N 96 -GLN CD OE1 doub N N 97 -GLN CD NE2 sing N N 98 -GLN NE2 HE21 sing N N 99 -GLN NE2 HE22 sing N N 100 -GLN OXT HXT sing N N 101 -GLU N CA sing N N 102 -GLU N H sing N N 103 -GLU N H2 sing N N 104 -GLU CA C sing N N 105 -GLU CA CB sing N N 106 -GLU CA HA sing N N 107 -GLU C O doub N N 108 -GLU C OXT sing N N 109 -GLU CB CG sing N N 110 -GLU CB HB2 sing N N 111 -GLU CB HB3 sing N N 112 -GLU CG CD sing N N 113 -GLU CG HG2 sing N N 114 -GLU CG HG3 sing N N 115 -GLU CD OE1 doub N N 116 -GLU CD OE2 sing N N 117 -GLU OE2 HE2 sing N N 118 -GLU OXT HXT sing N N 119 -GLY N CA sing N N 120 -GLY N H sing N N 121 -GLY N H2 sing N N 122 -GLY CA C sing N N 123 -GLY CA HA2 sing N N 124 -GLY CA HA3 sing N N 125 -GLY C O doub N N 126 -GLY C OXT sing N N 127 -GLY OXT HXT sing N N 128 -HIS N CA sing N N 129 -HIS N H sing N N 130 -HIS N H2 sing N N 131 -HIS CA C sing N N 132 -HIS CA CB sing N N 133 -HIS CA HA sing N N 134 -HIS C O doub N N 135 -HIS C OXT sing N N 136 -HIS CB CG sing N N 137 -HIS CB HB2 sing N N 138 -HIS CB HB3 sing N N 139 -HIS CG ND1 sing Y N 140 -HIS CG CD2 doub Y N 141 -HIS ND1 CE1 doub Y N 142 -HIS ND1 HD1 sing N N 143 -HIS CD2 NE2 sing Y N 144 -HIS CD2 HD2 sing N N 145 -HIS CE1 NE2 sing Y N 146 -HIS CE1 HE1 sing N N 147 -HIS NE2 HE2 sing N N 148 -HIS OXT HXT sing N N 149 -HOH O H1 sing N N 150 -HOH O H2 sing N N 151 -ILE N CA sing N N 152 -ILE N H sing N N 153 -ILE N H2 sing N N 154 -ILE CA C sing N N 155 -ILE CA CB sing N N 156 -ILE CA HA sing N N 157 -ILE C O doub N N 158 -ILE C OXT sing N N 159 -ILE CB CG1 sing N N 160 -ILE CB CG2 sing N N 161 -ILE CB HB sing N N 162 -ILE CG1 CD1 sing N N 163 -ILE CG1 HG12 sing N N 164 -ILE CG1 HG13 sing N N 165 -ILE CG2 HG21 sing N N 166 -ILE CG2 HG22 sing N N 167 -ILE CG2 HG23 sing N N 168 -ILE CD1 HD11 sing N N 169 -ILE CD1 HD12 sing N N 170 -ILE CD1 HD13 sing N N 171 -ILE OXT HXT sing N N 172 -LEU N CA sing N N 173 -LEU N H sing N N 174 -LEU N H2 sing N N 175 -LEU CA C sing N N 176 -LEU CA CB sing N N 177 -LEU CA HA sing N N 178 -LEU C O doub N N 179 -LEU C OXT sing N N 180 -LEU CB CG sing N N 181 -LEU CB HB2 sing N N 182 -LEU CB HB3 sing N N 183 -LEU CG CD1 sing N N 184 -LEU CG CD2 sing N N 185 -LEU CG HG sing N N 186 -LEU CD1 HD11 sing N N 187 -LEU CD1 HD12 sing N N 188 -LEU CD1 HD13 sing N N 189 -LEU CD2 HD21 sing N N 190 -LEU CD2 HD22 sing N N 191 -LEU CD2 HD23 sing N N 192 -LEU OXT HXT sing N N 193 -LYS N CA sing N N 194 -LYS N H sing N N 195 -LYS N H2 sing N N 196 -LYS CA C sing N N 197 -LYS CA CB sing N N 198 -LYS CA HA sing N N 199 -LYS C O doub N N 200 -LYS C OXT sing N N 201 -LYS CB CG sing N N 202 -LYS CB HB2 sing N N 203 -LYS CB HB3 sing N N 204 -LYS CG CD sing N N 205 -LYS CG HG2 sing N N 206 -LYS CG HG3 sing N N 207 -LYS CD CE sing N N 208 -LYS CD HD2 sing N N 209 -LYS CD HD3 sing N N 210 -LYS CE NZ sing N N 211 -LYS CE HE2 sing N N 212 -LYS CE HE3 sing N N 213 -LYS NZ HZ1 sing N N 214 -LYS NZ HZ2 sing N N 215 -LYS NZ HZ3 sing N N 216 -LYS OXT HXT sing N N 217 -MET N CA sing N N 218 -MET N H sing N N 219 -MET N H2 sing N N 220 -MET CA C sing N N 221 -MET CA CB sing N N 222 -MET CA HA sing N N 223 -MET C O doub N N 224 -MET C OXT sing N N 225 -MET CB CG sing N N 226 -MET CB HB2 sing N N 227 -MET CB HB3 sing N N 228 -MET CG SD sing N N 229 -MET CG HG2 sing N N 230 -MET CG HG3 sing N N 231 -MET SD CE sing N N 232 -MET CE HE1 sing N N 233 -MET CE HE2 sing N N 234 -MET CE HE3 sing N N 235 -MET OXT HXT sing N N 236 -PHE N CA sing N N 237 -PHE N H sing N N 238 -PHE N H2 sing N N 239 -PHE CA C sing N N 240 -PHE CA CB sing N N 241 -PHE CA HA sing N N 242 -PHE C O doub N N 243 -PHE C OXT sing N N 244 -PHE CB CG sing N N 245 -PHE CB HB2 sing N N 246 -PHE CB HB3 sing N N 247 -PHE CG CD1 doub Y N 248 -PHE CG CD2 sing Y N 249 -PHE CD1 CE1 sing Y N 250 -PHE CD1 HD1 sing N N 251 -PHE CD2 CE2 doub Y N 252 -PHE CD2 HD2 sing N N 253 -PHE CE1 CZ doub Y N 254 -PHE CE1 HE1 sing N N 255 -PHE CE2 CZ sing Y N 256 -PHE CE2 HE2 sing N N 257 -PHE CZ HZ sing N N 258 -PHE OXT HXT sing N N 259 -PRO N CA sing N N 260 -PRO N CD sing N N 261 -PRO N H sing N N 262 -PRO CA C sing N N 263 -PRO CA CB sing N N 264 -PRO CA HA sing N N 265 -PRO C O doub N N 266 -PRO C OXT sing N N 267 -PRO CB CG sing N N 268 -PRO CB HB2 sing N N 269 -PRO CB HB3 sing N N 270 -PRO CG CD sing N N 271 -PRO CG HG2 sing N N 272 -PRO CG HG3 sing N N 273 -PRO CD HD2 sing N N 274 -PRO CD HD3 sing N N 275 -PRO OXT HXT sing N N 276 -SER N CA sing N N 277 -SER N H sing N N 278 -SER N H2 sing N N 279 -SER CA C sing N N 280 -SER CA CB sing N N 281 -SER CA HA sing N N 282 -SER C O doub N N 283 -SER C OXT sing N N 284 -SER CB OG sing N N 285 -SER CB HB2 sing N N 286 -SER CB HB3 sing N N 287 -SER OG HG sing N N 288 -SER OXT HXT sing N N 289 -THR N CA sing N N 290 -THR N H sing N N 291 -THR N H2 sing N N 292 -THR CA C sing N N 293 -THR CA CB sing N N 294 -THR CA HA sing N N 295 -THR C O doub N N 296 -THR C OXT sing N N 297 -THR CB OG1 sing N N 298 -THR CB CG2 sing N N 299 -THR CB HB sing N N 300 -THR OG1 HG1 sing N N 301 -THR CG2 HG21 sing N N 302 -THR CG2 HG22 sing N N 303 -THR CG2 HG23 sing N N 304 -THR OXT HXT sing N N 305 -TRP N CA sing N N 306 -TRP N H sing N N 307 -TRP N H2 sing N N 308 -TRP CA C sing N N 309 -TRP CA CB sing N N 310 -TRP CA HA sing N N 311 -TRP C O doub N N 312 -TRP C OXT sing N N 313 -TRP CB CG sing N N 314 -TRP CB HB2 sing N N 315 -TRP CB HB3 sing N N 316 -TRP CG CD1 doub Y N 317 -TRP CG CD2 sing Y N 318 -TRP CD1 NE1 sing Y N 319 -TRP CD1 HD1 sing N N 320 -TRP CD2 CE2 doub Y N 321 -TRP CD2 CE3 sing Y N 322 -TRP NE1 CE2 sing Y N 323 -TRP NE1 HE1 sing N N 324 -TRP CE2 CZ2 sing Y N 325 -TRP CE3 CZ3 doub Y N 326 -TRP CE3 HE3 sing N N 327 -TRP CZ2 CH2 doub Y N 328 -TRP CZ2 HZ2 sing N N 329 -TRP CZ3 CH2 sing Y N 330 -TRP CZ3 HZ3 sing N N 331 -TRP CH2 HH2 sing N N 332 -TRP OXT HXT sing N N 333 -TYR N CA sing N N 334 -TYR N H sing N N 335 -TYR N H2 sing N N 336 -TYR CA C sing N N 337 -TYR CA CB sing N N 338 -TYR CA HA sing N N 339 -TYR C O doub N N 340 -TYR C OXT sing N N 341 -TYR CB CG sing N N 342 -TYR CB HB2 sing N N 343 -TYR CB HB3 sing N N 344 -TYR CG CD1 doub Y N 345 -TYR CG CD2 sing Y N 346 -TYR CD1 CE1 sing Y N 347 -TYR CD1 HD1 sing N N 348 -TYR CD2 CE2 doub Y N 349 -TYR CD2 HD2 sing N N 350 -TYR CE1 CZ doub Y N 351 -TYR CE1 HE1 sing N N 352 -TYR CE2 CZ sing Y N 353 -TYR CE2 HE2 sing N N 354 -TYR CZ OH sing N N 355 -TYR OH HH sing N N 356 -TYR OXT HXT sing N N 357 -VAL N CA sing N N 358 -VAL N H sing N N 359 -VAL N H2 sing N N 360 -VAL CA C sing N N 361 -VAL CA CB sing N N 362 -VAL CA HA sing N N 363 -VAL C O doub N N 364 -VAL C OXT sing N N 365 -VAL CB CG1 sing N N 366 -VAL CB CG2 sing N N 367 -VAL CB HB sing N N 368 -VAL CG1 HG11 sing N N 369 -VAL CG1 HG12 sing N N 370 -VAL CG1 HG13 sing N N 371 -VAL CG2 HG21 sing N N 372 -VAL CG2 HG22 sing N N 373 -VAL CG2 HG23 sing N N 374 -VAL OXT HXT sing N N 375 -# -loop_ -_pdbx_initial_refinement_model.id -_pdbx_initial_refinement_model.entity_id_list -_pdbx_initial_refinement_model.type -_pdbx_initial_refinement_model.source_name -_pdbx_initial_refinement_model.accession_code -_pdbx_initial_refinement_model.details -1 ? 'experimental model' PDB 1HHI 'PDB ENTRIES 1HHI AND 1AO7' -2 ? 'experimental model' PDB 1AO7 'PDB ENTRIES 1HHI AND 1AO7' -# -_atom_sites.entry_id 1BD2 -_atom_sites.fract_transf_matrix[1][1] 0.015674 -_atom_sites.fract_transf_matrix[1][2] 0.000000 -_atom_sites.fract_transf_matrix[1][3] 0.000000 -_atom_sites.fract_transf_matrix[2][1] 0.000000 -_atom_sites.fract_transf_matrix[2][2] 0.013643 -_atom_sites.fract_transf_matrix[2][3] 0.000000 -_atom_sites.fract_transf_matrix[3][1] 0.000000 -_atom_sites.fract_transf_matrix[3][2] 0.000000 -_atom_sites.fract_transf_matrix[3][3] 0.004593 -_atom_sites.fract_transf_vector[1] 0.00000 -_atom_sites.fract_transf_vector[2] 0.00000 -_atom_sites.fract_transf_vector[3] 0.00000 -# -loop_ -_atom_type.symbol -C -N -O -S -# -loop_ -_atom_site.group_PDB -_atom_site.id -_atom_site.type_symbol -_atom_site.label_atom_id -_atom_site.label_alt_id -_atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id -_atom_site.label_seq_id -_atom_site.pdbx_PDB_ins_code -_atom_site.Cartn_x -_atom_site.Cartn_y -_atom_site.Cartn_z -_atom_site.occupancy -_atom_site.B_iso_or_equiv -_atom_site.pdbx_formal_charge -_atom_site.auth_seq_id -_atom_site.auth_comp_id -_atom_site.auth_asym_id -_atom_site.auth_atom_id -_atom_site.pdbx_PDB_model_num -ATOM 1 N N . GLY A 1 1 ? 4.928 25.601 53.716 1.00 56.47 ? 1 GLY A N 1 -ATOM 2 C CA . GLY A 1 1 ? 5.455 26.959 54.016 1.00 60.73 ? 1 GLY A CA 1 -ATOM 3 C C . GLY A 1 1 ? 5.535 27.793 52.755 1.00 59.90 ? 1 GLY A C 1 -ATOM 4 O O . GLY A 1 1 ? 5.308 27.269 51.657 1.00 61.33 ? 1 GLY A O 1 -ATOM 5 N N . SER A 1 2 ? 5.860 29.077 52.911 1.00 56.73 ? 2 SER A N 1 -ATOM 6 C CA . SER A 1 2 ? 5.995 30.004 51.788 1.00 51.69 ? 2 SER A CA 1 -ATOM 7 C C . SER A 1 2 ? 6.992 29.502 50.749 1.00 48.65 ? 2 SER A C 1 -ATOM 8 O O . SER A 1 2 ? 7.835 28.649 51.041 1.00 47.19 ? 2 SER A O 1 -ATOM 9 C CB . SER A 1 2 ? 6.453 31.384 52.275 1.00 50.43 ? 2 SER A CB 1 -ATOM 10 O OG . SER A 1 2 ? 5.512 31.967 53.155 1.00 55.79 ? 2 SER A OG 1 -ATOM 11 N N . HIS A 1 3 ? 6.895 30.042 49.539 1.00 45.13 ? 3 HIS A N 1 -ATOM 12 C CA . HIS A 1 3 ? 7.780 29.679 48.439 1.00 40.71 ? 3 HIS A CA 1 -ATOM 13 C C . HIS A 1 3 ? 7.899 30.864 47.505 1.00 39.80 ? 3 HIS A C 1 -ATOM 14 O O . HIS A 1 3 ? 7.110 31.810 47.572 1.00 40.77 ? 3 HIS A O 1 -ATOM 15 C CB . HIS A 1 3 ? 7.251 28.459 47.677 1.00 39.18 ? 3 HIS A CB 1 -ATOM 16 C CG . HIS A 1 3 ? 7.404 27.167 48.422 1.00 43.37 ? 3 HIS A CG 1 -ATOM 17 N ND1 . HIS A 1 3 ? 8.620 26.711 48.890 1.00 37.60 ? 3 HIS A ND1 1 -ATOM 18 C CD2 . HIS A 1 3 ? 6.489 26.238 48.795 1.00 41.98 ? 3 HIS A CD2 1 -ATOM 19 C CE1 . HIS A 1 3 ? 8.449 25.561 49.518 1.00 36.06 ? 3 HIS A CE1 1 -ATOM 20 N NE2 . HIS A 1 3 ? 7.163 25.253 49.473 1.00 36.24 ? 3 HIS A NE2 1 -ATOM 21 N N . SER A 1 4 ? 8.909 30.833 46.653 1.00 38.79 ? 4 SER A N 1 -ATOM 22 C CA . SER A 1 4 ? 9.109 31.919 45.717 1.00 41.46 ? 4 SER A CA 1 -ATOM 23 C C . SER A 1 4 ? 9.952 31.530 44.500 1.00 39.36 ? 4 SER A C 1 -ATOM 24 O O . SER A 1 4 ? 10.726 30.565 44.552 1.00 36.13 ? 4 SER A O 1 -ATOM 25 C CB . SER A 1 4 ? 9.714 33.128 46.444 1.00 37.84 ? 4 SER A CB 1 -ATOM 26 O OG . SER A 1 4 ? 10.847 32.800 47.230 1.00 49.59 ? 4 SER A OG 1 -ATOM 27 N N . MET A 1 5 ? 9.717 32.225 43.385 1.00 36.57 ? 5 MET A N 1 -ATOM 28 C CA . MET A 1 5 ? 10.468 32.011 42.151 1.00 31.53 ? 5 MET A CA 1 -ATOM 29 C C . MET A 1 5 ? 10.976 33.378 41.757 1.00 27.14 ? 5 MET A C 1 -ATOM 30 O O . MET A 1 5 ? 10.224 34.353 41.806 1.00 19.97 ? 5 MET A O 1 -ATOM 31 C CB . MET A 1 5 ? 9.591 31.450 41.035 1.00 32.82 ? 5 MET A CB 1 -ATOM 32 C CG . MET A 1 5 ? 10.329 31.314 39.698 1.00 26.96 ? 5 MET A CG 1 -ATOM 33 S SD . MET A 1 5 ? 9.332 30.444 38.518 1.00 29.68 ? 5 MET A SD 1 -ATOM 34 C CE . MET A 1 5 ? 8.114 31.698 38.167 1.00 34.15 ? 5 MET A CE 1 -ATOM 35 N N . ARG A 1 6 ? 12.250 33.443 41.379 1.00 29.74 ? 6 ARG A N 1 -ATOM 36 C CA . ARG A 1 6 ? 12.889 34.703 41.001 1.00 35.75 ? 6 ARG A CA 1 -ATOM 37 C C . ARG A 1 6 ? 13.873 34.571 39.834 1.00 30.84 ? 6 ARG A C 1 -ATOM 38 O O . ARG A 1 6 ? 14.600 33.581 39.735 1.00 27.26 ? 6 ARG A O 1 -ATOM 39 C CB . ARG A 1 6 ? 13.662 35.273 42.196 1.00 45.61 ? 6 ARG A CB 1 -ATOM 40 C CG . ARG A 1 6 ? 12.908 35.314 43.511 1.00 53.13 ? 6 ARG A CG 1 -ATOM 41 C CD . ARG A 1 6 ? 11.708 36.211 43.399 1.00 63.76 ? 6 ARG A CD 1 -ATOM 42 N NE . ARG A 1 6 ? 11.759 37.299 44.360 1.00 68.82 ? 6 ARG A NE 1 -ATOM 43 C CZ . ARG A 1 6 ? 10.741 37.649 45.128 1.00 66.63 ? 6 ARG A CZ 1 -ATOM 44 N NH1 . ARG A 1 6 ? 9.585 37.005 45.042 1.00 67.01 ? 6 ARG A NH1 1 -ATOM 45 N NH2 . ARG A 1 6 ? 10.893 38.629 45.998 1.00 70.05 ? 6 ARG A NH2 1 -ATOM 46 N N . TYR A 1 7 ? 13.904 35.579 38.960 1.00 29.83 ? 7 TYR A N 1 -ATOM 47 C CA . TYR A 1 7 ? 14.833 35.594 37.823 1.00 23.63 ? 7 TYR A CA 1 -ATOM 48 C C . TYR A 1 7 ? 15.732 36.813 37.972 1.00 22.43 ? 7 TYR A C 1 -ATOM 49 O O . TYR A 1 7 ? 15.264 37.891 38.360 1.00 23.14 ? 7 TYR A O 1 -ATOM 50 C CB . TYR A 1 7 ? 14.083 35.653 36.497 1.00 16.86 ? 7 TYR A CB 1 -ATOM 51 C CG . TYR A 1 7 ? 13.361 34.372 36.113 1.00 9.18 ? 7 TYR A CG 1 -ATOM 52 C CD1 . TYR A 1 7 ? 14.024 33.362 35.415 1.00 10.95 ? 7 TYR A CD1 1 -ATOM 53 C CD2 . TYR A 1 7 ? 12.000 34.214 36.358 1.00 13.60 ? 7 TYR A CD2 1 -ATOM 54 C CE1 . TYR A 1 7 ? 13.360 32.235 34.965 1.00 4.61 ? 7 TYR A CE1 1 -ATOM 55 C CE2 . TYR A 1 7 ? 11.323 33.091 35.907 1.00 14.71 ? 7 TYR A CE2 1 -ATOM 56 C CZ . TYR A 1 7 ? 12.015 32.108 35.205 1.00 13.70 ? 7 TYR A CZ 1 -ATOM 57 O OH . TYR A 1 7 ? 11.332 31.014 34.723 1.00 19.56 ? 7 TYR A OH 1 -ATOM 58 N N . PHE A 1 8 ? 17.023 36.626 37.707 1.00 22.00 ? 8 PHE A N 1 -ATOM 59 C CA . PHE A 1 8 ? 18.019 37.690 37.838 1.00 23.04 ? 8 PHE A CA 1 -ATOM 60 C C . PHE A 1 8 ? 18.773 37.812 36.531 1.00 23.46 ? 8 PHE A C 1 -ATOM 61 O O . PHE A 1 8 ? 19.397 36.843 36.104 1.00 29.40 ? 8 PHE A O 1 -ATOM 62 C CB . PHE A 1 8 ? 19.046 37.348 38.940 1.00 24.06 ? 8 PHE A CB 1 -ATOM 63 C CG . PHE A 1 8 ? 18.437 37.081 40.292 1.00 21.21 ? 8 PHE A CG 1 -ATOM 64 C CD1 . PHE A 1 8 ? 17.712 35.910 40.528 1.00 23.44 ? 8 PHE A CD1 1 -ATOM 65 C CD2 . PHE A 1 8 ? 18.557 38.014 41.312 1.00 21.82 ? 8 PHE A CD2 1 -ATOM 66 C CE1 . PHE A 1 8 ? 17.107 35.675 41.738 1.00 18.38 ? 8 PHE A CE1 1 -ATOM 67 C CE2 . PHE A 1 8 ? 17.954 37.792 42.537 1.00 22.16 ? 8 PHE A CE2 1 -ATOM 68 C CZ . PHE A 1 8 ? 17.225 36.616 42.750 1.00 21.60 ? 8 PHE A CZ 1 -ATOM 69 N N . PHE A 1 9 ? 18.769 39.006 35.938 1.00 22.03 ? 9 PHE A N 1 -ATOM 70 C CA . PHE A 1 9 ? 19.452 39.264 34.668 1.00 16.03 ? 9 PHE A CA 1 -ATOM 71 C C . PHE A 1 9 ? 20.526 40.343 34.834 1.00 14.50 ? 9 PHE A C 1 -ATOM 72 O O . PHE A 1 9 ? 20.271 41.409 35.407 1.00 16.26 ? 9 PHE A O 1 -ATOM 73 C CB . PHE A 1 9 ? 18.444 39.719 33.591 1.00 14.57 ? 9 PHE A CB 1 -ATOM 74 C CG . PHE A 1 9 ? 17.182 38.907 33.551 1.00 5.50 ? 9 PHE A CG 1 -ATOM 75 C CD1 . PHE A 1 9 ? 16.102 39.252 34.347 1.00 7.30 ? 9 PHE A CD1 1 -ATOM 76 C CD2 . PHE A 1 9 ? 17.095 37.768 32.765 1.00 7.34 ? 9 PHE A CD2 1 -ATOM 77 C CE1 . PHE A 1 9 ? 14.940 38.466 34.377 1.00 11.31 ? 9 PHE A CE1 1 -ATOM 78 C CE2 . PHE A 1 9 ? 15.941 36.971 32.781 1.00 11.82 ? 9 PHE A CE2 1 -ATOM 79 C CZ . PHE A 1 9 ? 14.860 37.325 33.594 1.00 11.17 ? 9 PHE A CZ 1 -ATOM 80 N N . THR A 1 10 ? 21.704 40.098 34.277 1.00 16.39 ? 10 THR A N 1 -ATOM 81 C CA . THR A 1 10 ? 22.802 41.053 34.351 1.00 19.16 ? 10 THR A CA 1 -ATOM 82 C C . THR A 1 10 ? 23.370 41.301 32.960 1.00 19.42 ? 10 THR A C 1 -ATOM 83 O O . THR A 1 10 ? 23.746 40.353 32.286 1.00 21.21 ? 10 THR A O 1 -ATOM 84 C CB . THR A 1 10 ? 23.968 40.493 35.153 1.00 24.53 ? 10 THR A CB 1 -ATOM 85 O OG1 . THR A 1 10 ? 23.483 39.882 36.359 1.00 26.59 ? 10 THR A OG1 1 -ATOM 86 C CG2 . THR A 1 10 ? 24.989 41.603 35.440 1.00 17.04 ? 10 THR A CG2 1 -ATOM 87 N N . SER A 1 11 ? 23.486 42.563 32.560 1.00 20.30 ? 11 SER A N 1 -ATOM 88 C CA . SER A 1 11 ? 24.042 42.898 31.256 1.00 22.34 ? 11 SER A CA 1 -ATOM 89 C C . SER A 1 11 ? 25.107 43.970 31.458 1.00 24.84 ? 11 SER A C 1 -ATOM 90 O O . SER A 1 11 ? 24.810 45.040 31.987 1.00 30.15 ? 11 SER A O 1 -ATOM 91 C CB . SER A 1 11 ? 22.947 43.428 30.333 1.00 24.62 ? 11 SER A CB 1 -ATOM 92 O OG . SER A 1 11 ? 21.802 42.590 30.342 1.00 34.40 ? 11 SER A OG 1 -ATOM 93 N N . VAL A 1 12 ? 26.340 43.681 31.049 1.00 23.53 ? 12 VAL A N 1 -ATOM 94 C CA . VAL A 1 12 ? 27.453 44.626 31.192 1.00 23.03 ? 12 VAL A CA 1 -ATOM 95 C C . VAL A 1 12 ? 27.963 44.977 29.803 1.00 24.70 ? 12 VAL A C 1 -ATOM 96 O O . VAL A 1 12 ? 28.375 44.085 29.063 1.00 26.12 ? 12 VAL A O 1 -ATOM 97 C CB . VAL A 1 12 ? 28.609 43.987 31.995 1.00 18.38 ? 12 VAL A CB 1 -ATOM 98 C CG1 . VAL A 1 12 ? 29.717 44.988 32.223 1.00 12.47 ? 12 VAL A CG1 1 -ATOM 99 C CG2 . VAL A 1 12 ? 28.086 43.433 33.310 1.00 16.08 ? 12 VAL A CG2 1 -ATOM 100 N N . SER A 1 13 ? 27.933 46.257 29.438 1.00 26.57 ? 13 SER A N 1 -ATOM 101 C CA . SER A 1 13 ? 28.386 46.643 28.108 1.00 29.56 ? 13 SER A CA 1 -ATOM 102 C C . SER A 1 13 ? 29.875 46.457 27.952 1.00 35.03 ? 13 SER A C 1 -ATOM 103 O O . SER A 1 13 ? 30.624 46.593 28.912 1.00 42.26 ? 13 SER A O 1 -ATOM 104 C CB . SER A 1 13 ? 27.995 48.081 27.778 1.00 26.98 ? 13 SER A CB 1 -ATOM 105 O OG . SER A 1 13 ? 28.518 48.984 28.720 1.00 31.08 ? 13 SER A OG 1 -ATOM 106 N N . ARG A 1 14 ? 30.289 46.094 26.745 1.00 42.39 ? 14 ARG A N 1 -ATOM 107 C CA . ARG A 1 14 ? 31.698 45.888 26.428 1.00 44.38 ? 14 ARG A CA 1 -ATOM 108 C C . ARG A 1 14 ? 32.098 46.815 25.270 1.00 50.05 ? 14 ARG A C 1 -ATOM 109 O O . ARG A 1 14 ? 32.376 46.340 24.166 1.00 53.69 ? 14 ARG A O 1 -ATOM 110 C CB . ARG A 1 14 ? 31.954 44.427 26.022 1.00 44.62 ? 14 ARG A CB 1 -ATOM 111 C CG . ARG A 1 14 ? 31.972 43.409 27.159 1.00 45.50 ? 14 ARG A CG 1 -ATOM 112 C CD . ARG A 1 14 ? 32.425 42.022 26.673 1.00 43.56 ? 14 ARG A CD 1 -ATOM 113 N NE . ARG A 1 14 ? 31.427 41.352 25.843 1.00 43.48 ? 14 ARG A NE 1 -ATOM 114 C CZ . ARG A 1 14 ? 31.033 40.089 26.015 1.00 48.73 ? 14 ARG A CZ 1 -ATOM 115 N NH1 . ARG A 1 14 ? 31.561 39.350 26.983 1.00 49.25 ? 14 ARG A NH1 1 -ATOM 116 N NH2 . ARG A 1 14 ? 30.074 39.574 25.252 1.00 48.46 ? 14 ARG A NH2 1 -ATOM 117 N N . PRO A 1 15 ? 32.114 48.145 25.489 1.00 51.51 ? 15 PRO A N 1 -ATOM 118 C CA . PRO A 1 15 ? 32.486 49.094 24.439 1.00 52.13 ? 15 PRO A CA 1 -ATOM 119 C C . PRO A 1 15 ? 33.784 48.666 23.761 1.00 56.74 ? 15 PRO A C 1 -ATOM 120 O O . PRO A 1 15 ? 34.807 48.461 24.425 1.00 59.25 ? 15 PRO A O 1 -ATOM 121 C CB . PRO A 1 15 ? 32.652 50.397 25.206 1.00 49.56 ? 15 PRO A CB 1 -ATOM 122 C CG . PRO A 1 15 ? 31.610 50.279 26.240 1.00 51.03 ? 15 PRO A CG 1 -ATOM 123 C CD . PRO A 1 15 ? 31.828 48.876 26.742 1.00 54.88 ? 15 PRO A CD 1 -ATOM 124 N N . GLY A 1 16 ? 33.718 48.488 22.446 1.00 57.42 ? 16 GLY A N 1 -ATOM 125 C CA . GLY A 1 16 ? 34.878 48.057 21.695 1.00 53.72 ? 16 GLY A CA 1 -ATOM 126 C C . GLY A 1 16 ? 34.950 46.547 21.740 1.00 53.83 ? 16 GLY A C 1 -ATOM 127 O O . GLY A 1 16 ? 34.641 45.887 20.750 1.00 57.53 ? 16 GLY A O 1 -ATOM 128 N N . ARG A 1 17 ? 35.217 46.008 22.928 1.00 51.55 ? 17 ARG A N 1 -ATOM 129 C CA . ARG A 1 17 ? 35.343 44.570 23.110 1.00 48.60 ? 17 ARG A CA 1 -ATOM 130 C C . ARG A 1 17 ? 34.237 43.654 22.601 1.00 49.46 ? 17 ARG A C 1 -ATOM 131 O O . ARG A 1 17 ? 34.409 42.440 22.596 1.00 52.87 ? 17 ARG A O 1 -ATOM 132 N N . GLY A 1 18 ? 33.101 44.202 22.191 1.00 50.17 ? 18 GLY A N 1 -ATOM 133 C CA . GLY A 1 18 ? 32.030 43.353 21.700 1.00 47.25 ? 18 GLY A CA 1 -ATOM 134 C C . GLY A 1 18 ? 30.674 43.640 22.318 1.00 51.51 ? 18 GLY A C 1 -ATOM 135 O O . GLY A 1 18 ? 30.496 44.607 23.073 1.00 53.39 ? 18 GLY A O 1 -ATOM 136 N N . GLU A 1 19 ? 29.703 42.793 21.997 1.00 49.26 ? 19 GLU A N 1 -ATOM 137 C CA . GLU A 1 19 ? 28.355 42.949 22.523 1.00 49.09 ? 19 GLU A CA 1 -ATOM 138 C C . GLU A 1 19 ? 28.302 42.742 24.031 1.00 47.80 ? 19 GLU A C 1 -ATOM 139 O O . GLU A 1 19 ? 29.114 42.013 24.592 1.00 53.14 ? 19 GLU A O 1 -ATOM 140 C CB . GLU A 1 19 ? 27.411 41.974 21.828 1.00 51.79 ? 19 GLU A CB 1 -ATOM 141 C CG . GLU A 1 19 ? 27.162 42.330 20.370 1.00 62.99 ? 19 GLU A CG 1 -ATOM 142 C CD . GLU A 1 19 ? 26.483 43.690 20.196 1.00 69.06 ? 19 GLU A CD 1 -ATOM 143 O OE1 . GLU A 1 19 ? 27.171 44.742 20.199 1.00 67.63 ? 19 GLU A OE1 1 -ATOM 144 O OE2 . GLU A 1 19 ? 25.245 43.700 20.045 1.00 72.50 ? 19 GLU A OE2 1 -ATOM 145 N N . PRO A 1 20 ? 27.376 43.409 24.718 1.00 41.81 ? 20 PRO A N 1 -ATOM 146 C CA . PRO A 1 20 ? 27.296 43.232 26.163 1.00 36.55 ? 20 PRO A CA 1 -ATOM 147 C C . PRO A 1 20 ? 27.115 41.785 26.656 1.00 37.94 ? 20 PRO A C 1 -ATOM 148 O O . PRO A 1 20 ? 26.358 41.000 26.074 1.00 41.17 ? 20 PRO A O 1 -ATOM 149 C CB . PRO A 1 20 ? 26.109 44.120 26.553 1.00 38.30 ? 20 PRO A CB 1 -ATOM 150 C CG . PRO A 1 20 ? 25.341 44.311 25.269 1.00 34.04 ? 20 PRO A CG 1 -ATOM 151 C CD . PRO A 1 20 ? 26.433 44.453 24.269 1.00 38.07 ? 20 PRO A CD 1 -ATOM 152 N N . ARG A 1 21 ? 27.833 41.455 27.730 1.00 40.05 ? 21 ARG A N 1 -ATOM 153 C CA . ARG A 1 21 ? 27.775 40.150 28.395 1.00 33.33 ? 21 ARG A CA 1 -ATOM 154 C C . ARG A 1 21 ? 26.432 40.091 29.111 1.00 31.91 ? 21 ARG A C 1 -ATOM 155 O O . ARG A 1 21 ? 26.098 40.989 29.886 1.00 35.32 ? 21 ARG A O 1 -ATOM 156 C CB . ARG A 1 21 ? 28.897 40.058 29.430 1.00 37.85 ? 21 ARG A CB 1 -ATOM 157 C CG . ARG A 1 21 ? 28.866 38.828 30.347 1.00 40.51 ? 21 ARG A CG 1 -ATOM 158 C CD . ARG A 1 21 ? 29.230 37.570 29.596 1.00 38.75 ? 21 ARG A CD 1 -ATOM 159 N NE . ARG A 1 21 ? 29.416 36.407 30.460 1.00 34.99 ? 21 ARG A NE 1 -ATOM 160 C CZ . ARG A 1 21 ? 30.569 36.071 31.036 1.00 37.74 ? 21 ARG A CZ 1 -ATOM 161 N NH1 . ARG A 1 21 ? 31.652 36.822 30.860 1.00 32.65 ? 21 ARG A NH1 1 -ATOM 162 N NH2 . ARG A 1 21 ? 30.657 34.928 31.715 1.00 32.38 ? 21 ARG A NH2 1 -ATOM 163 N N . PHE A 1 22 ? 25.683 39.025 28.880 1.00 27.20 ? 22 PHE A N 1 -ATOM 164 C CA . PHE A 1 22 ? 24.368 38.873 29.479 1.00 20.19 ? 22 PHE A CA 1 -ATOM 165 C C . PHE A 1 22 ? 24.239 37.529 30.159 1.00 19.55 ? 22 PHE A C 1 -ATOM 166 O O . PHE A 1 22 ? 24.464 36.495 29.527 1.00 23.56 ? 22 PHE A O 1 -ATOM 167 C CB . PHE A 1 22 ? 23.294 38.989 28.384 1.00 20.50 ? 22 PHE A CB 1 -ATOM 168 C CG . PHE A 1 22 ? 21.897 38.679 28.854 1.00 18.82 ? 22 PHE A CG 1 -ATOM 169 C CD1 . PHE A 1 22 ? 21.182 39.599 29.610 1.00 13.47 ? 22 PHE A CD1 1 -ATOM 170 C CD2 . PHE A 1 22 ? 21.299 37.458 28.550 1.00 18.96 ? 22 PHE A CD2 1 -ATOM 171 C CE1 . PHE A 1 22 ? 19.904 39.307 30.057 1.00 15.08 ? 22 PHE A CE1 1 -ATOM 172 C CE2 . PHE A 1 22 ? 20.002 37.153 29.000 1.00 12.72 ? 22 PHE A CE2 1 -ATOM 173 C CZ . PHE A 1 22 ? 19.311 38.076 29.750 1.00 13.06 ? 22 PHE A CZ 1 -ATOM 174 N N . ILE A 1 23 ? 23.907 37.537 31.447 1.00 18.07 ? 23 ILE A N 1 -ATOM 175 C CA . ILE A 1 23 ? 23.695 36.287 32.180 1.00 15.65 ? 23 ILE A CA 1 -ATOM 176 C C . ILE A 1 23 ? 22.308 36.336 32.762 1.00 14.04 ? 23 ILE A C 1 -ATOM 177 O O . ILE A 1 23 ? 21.881 37.390 33.236 1.00 20.07 ? 23 ILE A O 1 -ATOM 178 C CB . ILE A 1 23 ? 24.633 36.115 33.357 1.00 16.38 ? 23 ILE A CB 1 -ATOM 179 C CG1 . ILE A 1 23 ? 26.075 36.376 32.934 1.00 17.20 ? 23 ILE A CG1 1 -ATOM 180 C CG2 . ILE A 1 23 ? 24.445 34.717 33.942 1.00 15.36 ? 23 ILE A CG2 1 -ATOM 181 C CD1 . ILE A 1 23 ? 26.963 35.158 32.995 1.00 21.90 ? 23 ILE A CD1 1 -ATOM 182 N N . ALA A 1 24 ? 21.595 35.221 32.725 1.00 11.52 ? 24 ALA A N 1 -ATOM 183 C CA . ALA A 1 24 ? 20.253 35.186 33.278 1.00 12.55 ? 24 ALA A CA 1 -ATOM 184 C C . ALA A 1 24 ? 20.118 33.894 34.022 1.00 20.69 ? 24 ALA A C 1 -ATOM 185 O O . ALA A 1 24 ? 20.422 32.840 33.465 1.00 23.59 ? 24 ALA A O 1 -ATOM 186 C CB . ALA A 1 24 ? 19.232 35.255 32.201 1.00 14.51 ? 24 ALA A CB 1 -ATOM 187 N N . VAL A 1 25 ? 19.666 33.974 35.274 1.00 18.90 ? 25 VAL A N 1 -ATOM 188 C CA . VAL A 1 25 ? 19.497 32.802 36.122 1.00 15.98 ? 25 VAL A CA 1 -ATOM 189 C C . VAL A 1 25 ? 18.157 32.874 36.809 1.00 10.42 ? 25 VAL A C 1 -ATOM 190 O O . VAL A 1 25 ? 17.650 33.957 37.082 1.00 15.26 ? 25 VAL A O 1 -ATOM 191 C CB . VAL A 1 25 ? 20.584 32.748 37.198 1.00 20.49 ? 25 VAL A CB 1 -ATOM 192 C CG1 . VAL A 1 25 ? 21.969 32.764 36.551 1.00 15.56 ? 25 VAL A CG1 1 -ATOM 193 C CG2 . VAL A 1 25 ? 20.435 33.924 38.136 1.00 23.96 ? 25 VAL A CG2 1 -ATOM 194 N N . GLY A 1 26 ? 17.575 31.719 37.069 1.00 8.43 ? 26 GLY A N 1 -ATOM 195 C CA . GLY A 1 26 ? 16.280 31.672 37.722 1.00 16.15 ? 26 GLY A CA 1 -ATOM 196 C C . GLY A 1 26 ? 16.376 30.751 38.921 1.00 20.96 ? 26 GLY A C 1 -ATOM 197 O O . GLY A 1 26 ? 17.091 29.738 38.871 1.00 22.37 ? 26 GLY A O 1 -ATOM 198 N N . TYR A 1 27 ? 15.646 31.077 39.985 1.00 23.00 ? 27 TYR A N 1 -ATOM 199 C CA . TYR A 1 27 ? 15.677 30.303 41.219 1.00 17.59 ? 27 TYR A CA 1 -ATOM 200 C C . TYR A 1 27 ? 14.298 30.033 41.750 1.00 18.26 ? 27 TYR A C 1 -ATOM 201 O O . TYR A 1 27 ? 13.381 30.826 41.544 1.00 22.25 ? 27 TYR A O 1 -ATOM 202 C CB . TYR A 1 27 ? 16.387 31.097 42.312 1.00 12.68 ? 27 TYR A CB 1 -ATOM 203 C CG . TYR A 1 27 ? 17.889 31.252 42.200 1.00 18.20 ? 27 TYR A CG 1 -ATOM 204 C CD1 . TYR A 1 27 ? 18.742 30.341 42.811 1.00 20.67 ? 27 TYR A CD1 1 -ATOM 205 C CD2 . TYR A 1 27 ? 18.456 32.359 41.574 1.00 18.42 ? 27 TYR A CD2 1 -ATOM 206 C CE1 . TYR A 1 27 ? 20.119 30.522 42.813 1.00 22.25 ? 27 TYR A CE1 1 -ATOM 207 C CE2 . TYR A 1 27 ? 19.843 32.554 41.570 1.00 21.04 ? 27 TYR A CE2 1 -ATOM 208 C CZ . TYR A 1 27 ? 20.667 31.626 42.198 1.00 28.81 ? 27 TYR A CZ 1 -ATOM 209 O OH . TYR A 1 27 ? 22.042 31.795 42.228 1.00 35.88 ? 27 TYR A OH 1 -ATOM 210 N N . VAL A 1 28 ? 14.130 28.869 42.355 1.00 22.92 ? 28 VAL A N 1 -ATOM 211 C CA . VAL A 1 28 ? 12.886 28.550 43.049 1.00 28.30 ? 28 VAL A CA 1 -ATOM 212 C C . VAL A 1 28 ? 13.475 28.444 44.455 1.00 29.54 ? 28 VAL A C 1 -ATOM 213 O O . VAL A 1 28 ? 14.344 27.602 44.697 1.00 29.29 ? 28 VAL A O 1 -ATOM 214 C CB . VAL A 1 28 ? 12.267 27.221 42.640 1.00 30.35 ? 28 VAL A CB 1 -ATOM 215 C CG1 . VAL A 1 28 ? 11.057 26.923 43.526 1.00 29.77 ? 28 VAL A CG1 1 -ATOM 216 C CG2 . VAL A 1 28 ? 11.821 27.290 41.211 1.00 36.57 ? 28 VAL A CG2 1 -ATOM 217 N N . ASP A 1 29 ? 13.102 29.375 45.331 1.00 32.00 ? 29 ASP A N 1 -ATOM 218 C CA . ASP A 1 29 ? 13.633 29.444 46.693 1.00 33.96 ? 29 ASP A CA 1 -ATOM 219 C C . ASP A 1 29 ? 15.147 29.648 46.553 1.00 35.29 ? 29 ASP A C 1 -ATOM 220 O O . ASP A 1 29 ? 15.578 30.446 45.726 1.00 34.84 ? 29 ASP A O 1 -ATOM 221 C CB . ASP A 1 29 ? 13.300 28.183 47.519 1.00 34.44 ? 29 ASP A CB 1 -ATOM 222 C CG . ASP A 1 29 ? 11.831 28.080 47.874 1.00 30.08 ? 29 ASP A CG 1 -ATOM 223 O OD1 . ASP A 1 29 ? 11.179 29.135 47.998 1.00 34.17 ? 29 ASP A OD1 1 -ATOM 224 O OD2 . ASP A 1 29 ? 11.330 26.944 48.041 1.00 26.25 ? 29 ASP A OD2 1 -ATOM 225 N N . ASP A 1 30 ? 15.950 28.895 47.302 1.00 40.57 ? 30 ASP A N 1 -ATOM 226 C CA . ASP A 1 30 ? 17.405 29.033 47.241 1.00 37.32 ? 30 ASP A CA 1 -ATOM 227 C C . ASP A 1 30 ? 18.081 28.092 46.239 1.00 34.93 ? 30 ASP A C 1 -ATOM 228 O O . ASP A 1 30 ? 19.313 27.993 46.198 1.00 29.46 ? 30 ASP A O 1 -ATOM 229 C CB . ASP A 1 30 ? 18.001 28.870 48.643 1.00 40.56 ? 30 ASP A CB 1 -ATOM 230 C CG . ASP A 1 30 ? 17.486 29.928 49.625 1.00 49.56 ? 30 ASP A CG 1 -ATOM 231 O OD1 . ASP A 1 30 ? 17.520 31.129 49.278 1.00 51.86 ? 30 ASP A OD1 1 -ATOM 232 O OD2 . ASP A 1 30 ? 17.038 29.565 50.737 1.00 47.57 ? 30 ASP A OD2 1 -ATOM 233 N N . THR A 1 31 ? 17.275 27.438 45.407 1.00 34.99 ? 31 THR A N 1 -ATOM 234 C CA . THR A 1 31 ? 17.787 26.510 44.394 1.00 40.46 ? 31 THR A CA 1 -ATOM 235 C C . THR A 1 31 ? 17.714 27.108 42.989 1.00 41.06 ? 31 THR A C 1 -ATOM 236 O O . THR A 1 31 ? 16.632 27.504 42.535 1.00 44.58 ? 31 THR A O 1 -ATOM 237 C CB . THR A 1 31 ? 16.982 25.183 44.391 1.00 43.01 ? 31 THR A CB 1 -ATOM 238 O OG1 . THR A 1 31 ? 17.063 24.570 45.686 1.00 52.83 ? 31 THR A OG1 1 -ATOM 239 C CG2 . THR A 1 31 ? 17.527 24.210 43.333 1.00 44.63 ? 31 THR A CG2 1 -ATOM 240 N N . GLN A 1 32 ? 18.860 27.179 42.310 1.00 37.51 ? 32 GLN A N 1 -ATOM 241 C CA . GLN A 1 32 ? 18.929 27.698 40.944 1.00 36.53 ? 32 GLN A CA 1 -ATOM 242 C C . GLN A 1 32 ? 18.428 26.572 40.050 1.00 37.64 ? 32 GLN A C 1 -ATOM 243 O O . GLN A 1 32 ? 18.769 25.410 40.287 1.00 40.58 ? 32 GLN A O 1 -ATOM 244 C CB . GLN A 1 32 ? 20.377 28.041 40.574 1.00 38.36 ? 32 GLN A CB 1 -ATOM 245 C CG . GLN A 1 32 ? 20.532 28.857 39.286 1.00 42.36 ? 32 GLN A CG 1 -ATOM 246 C CD . GLN A 1 32 ? 21.960 28.852 38.701 1.00 41.79 ? 32 GLN A CD 1 -ATOM 247 O OE1 . GLN A 1 32 ? 22.928 28.445 39.346 1.00 40.63 ? 32 GLN A OE1 1 -ATOM 248 N NE2 . GLN A 1 32 ? 22.077 29.295 37.460 1.00 42.96 ? 32 GLN A NE2 1 -ATOM 249 N N . PHE A 1 33 ? 17.576 26.889 39.076 1.00 36.33 ? 33 PHE A N 1 -ATOM 250 C CA . PHE A 1 33 ? 17.068 25.844 38.187 1.00 35.51 ? 33 PHE A CA 1 -ATOM 251 C C . PHE A 1 33 ? 17.341 25.998 36.690 1.00 35.42 ? 33 PHE A C 1 -ATOM 252 O O . PHE A 1 33 ? 17.452 24.988 35.986 1.00 36.39 ? 33 PHE A O 1 -ATOM 253 C CB . PHE A 1 33 ? 15.587 25.541 38.437 1.00 25.06 ? 33 PHE A CB 1 -ATOM 254 C CG . PHE A 1 33 ? 14.650 26.663 38.096 1.00 32.16 ? 33 PHE A CG 1 -ATOM 255 C CD1 . PHE A 1 33 ? 14.749 27.899 38.721 1.00 36.50 ? 33 PHE A CD1 1 -ATOM 256 C CD2 . PHE A 1 33 ? 13.614 26.459 37.200 1.00 29.79 ? 33 PHE A CD2 1 -ATOM 257 C CE1 . PHE A 1 33 ? 13.821 28.912 38.458 1.00 31.40 ? 33 PHE A CE1 1 -ATOM 258 C CE2 . PHE A 1 33 ? 12.690 27.465 36.935 1.00 23.87 ? 33 PHE A CE2 1 -ATOM 259 C CZ . PHE A 1 33 ? 12.792 28.688 37.565 1.00 23.38 ? 33 PHE A CZ 1 -ATOM 260 N N . VAL A 1 34 ? 17.427 27.239 36.203 1.00 30.95 ? 34 VAL A N 1 -ATOM 261 C CA . VAL A 1 34 ? 17.699 27.498 34.787 1.00 25.15 ? 34 VAL A CA 1 -ATOM 262 C C . VAL A 1 34 ? 18.741 28.591 34.619 1.00 22.93 ? 34 VAL A C 1 -ATOM 263 O O . VAL A 1 34 ? 18.996 29.365 35.545 1.00 17.79 ? 34 VAL A O 1 -ATOM 264 C CB . VAL A 1 34 ? 16.411 27.865 33.962 1.00 23.77 ? 34 VAL A CB 1 -ATOM 265 C CG1 . VAL A 1 34 ? 15.442 26.678 33.905 1.00 19.68 ? 34 VAL A CG1 1 -ATOM 266 C CG2 . VAL A 1 34 ? 15.722 29.119 34.518 1.00 21.35 ? 34 VAL A CG2 1 -ATOM 267 N N . ARG A 1 35 ? 19.363 28.633 33.444 1.00 26.65 ? 35 ARG A N 1 -ATOM 268 C CA . ARG A 1 35 ? 20.378 29.636 33.163 1.00 28.90 ? 35 ARG A CA 1 -ATOM 269 C C . ARG A 1 35 ? 20.497 29.986 31.683 1.00 28.02 ? 35 ARG A C 1 -ATOM 270 O O . ARG A 1 35 ? 19.862 29.372 30.827 1.00 32.32 ? 35 ARG A O 1 -ATOM 271 C CB . ARG A 1 35 ? 21.747 29.197 33.712 1.00 32.70 ? 35 ARG A CB 1 -ATOM 272 C CG . ARG A 1 35 ? 22.521 28.222 32.849 1.00 29.88 ? 35 ARG A CG 1 -ATOM 273 C CD . ARG A 1 35 ? 23.859 28.813 32.453 1.00 41.92 ? 35 ARG A CD 1 -ATOM 274 N NE . ARG A 1 35 ? 24.652 27.881 31.654 1.00 58.32 ? 35 ARG A NE 1 -ATOM 275 C CZ . ARG A 1 35 ? 25.706 27.202 32.103 1.00 64.57 ? 35 ARG A CZ 1 -ATOM 276 N NH1 . ARG A 1 35 ? 26.117 27.350 33.356 1.00 72.71 ? 35 ARG A NH1 1 -ATOM 277 N NH2 . ARG A 1 35 ? 26.326 26.334 31.310 1.00 65.94 ? 35 ARG A NH2 1 -ATOM 278 N N . PHE A 1 36 ? 21.306 31.002 31.409 1.00 24.55 ? 36 PHE A N 1 -ATOM 279 C CA . PHE A 1 36 ? 21.567 31.490 30.069 1.00 20.61 ? 36 PHE A CA 1 -ATOM 280 C C . PHE A 1 36 ? 22.727 32.458 30.147 1.00 15.72 ? 36 PHE A C 1 -ATOM 281 O O . PHE A 1 36 ? 22.738 33.359 30.973 1.00 22.24 ? 36 PHE A O 1 -ATOM 282 C CB . PHE A 1 36 ? 20.349 32.220 29.463 1.00 25.29 ? 36 PHE A CB 1 -ATOM 283 C CG . PHE A 1 36 ? 20.592 32.731 28.062 1.00 29.57 ? 36 PHE A CG 1 -ATOM 284 C CD1 . PHE A 1 36 ? 21.223 33.952 27.854 1.00 29.54 ? 36 PHE A CD1 1 -ATOM 285 C CD2 . PHE A 1 36 ? 20.308 31.936 26.957 1.00 30.17 ? 36 PHE A CD2 1 -ATOM 286 C CE1 . PHE A 1 36 ? 21.579 34.362 26.578 1.00 29.80 ? 36 PHE A CE1 1 -ATOM 287 C CE2 . PHE A 1 36 ? 20.663 32.347 25.676 1.00 28.38 ? 36 PHE A CE2 1 -ATOM 288 C CZ . PHE A 1 36 ? 21.301 33.559 25.491 1.00 24.32 ? 36 PHE A CZ 1 -ATOM 289 N N . ASP A 1 37 ? 23.665 32.301 29.228 1.00 23.18 ? 37 ASP A N 1 -ATOM 290 C CA . ASP A 1 37 ? 24.837 33.148 29.145 1.00 21.15 ? 37 ASP A CA 1 -ATOM 291 C C . ASP A 1 37 ? 25.169 33.392 27.683 1.00 28.21 ? 37 ASP A C 1 -ATOM 292 O O . ASP A 1 37 ? 25.277 32.449 26.883 1.00 25.82 ? 37 ASP A O 1 -ATOM 293 C CB . ASP A 1 37 ? 26.024 32.476 29.819 1.00 26.51 ? 37 ASP A CB 1 -ATOM 294 C CG . ASP A 1 37 ? 27.247 33.353 29.841 1.00 28.93 ? 37 ASP A CG 1 -ATOM 295 O OD1 . ASP A 1 37 ? 27.112 34.587 29.718 1.00 30.72 ? 37 ASP A OD1 1 -ATOM 296 O OD2 . ASP A 1 37 ? 28.354 32.810 30.000 1.00 39.78 ? 37 ASP A OD2 1 -ATOM 297 N N . SER A 1 38 ? 25.303 34.669 27.346 1.00 29.99 ? 38 SER A N 1 -ATOM 298 C CA . SER A 1 38 ? 25.627 35.104 25.999 1.00 26.96 ? 38 SER A CA 1 -ATOM 299 C C . SER A 1 38 ? 26.985 34.587 25.518 1.00 29.42 ? 38 SER A C 1 -ATOM 300 O O . SER A 1 38 ? 27.174 34.355 24.324 1.00 37.57 ? 38 SER A O 1 -ATOM 301 C CB . SER A 1 38 ? 25.585 36.637 25.921 1.00 27.82 ? 38 SER A CB 1 -ATOM 302 O OG . SER A 1 38 ? 26.576 37.239 26.738 1.00 29.18 ? 38 SER A OG 1 -ATOM 303 N N . ASP A 1 39 ? 27.940 34.446 26.430 1.00 30.58 ? 39 ASP A N 1 -ATOM 304 C CA . ASP A 1 39 ? 29.269 33.954 26.065 1.00 29.36 ? 39 ASP A CA 1 -ATOM 305 C C . ASP A 1 39 ? 29.406 32.428 26.103 1.00 32.42 ? 39 ASP A C 1 -ATOM 306 O O . ASP A 1 39 ? 30.497 31.892 25.936 1.00 30.64 ? 39 ASP A O 1 -ATOM 307 C CB . ASP A 1 39 ? 30.354 34.626 26.913 1.00 29.36 ? 39 ASP A CB 1 -ATOM 308 C CG . ASP A 1 39 ? 30.565 36.104 26.544 1.00 37.38 ? 39 ASP A CG 1 -ATOM 309 O OD1 . ASP A 1 39 ? 29.599 36.788 26.129 1.00 42.64 ? 39 ASP A OD1 1 -ATOM 310 O OD2 . ASP A 1 39 ? 31.708 36.591 26.676 1.00 35.37 ? 39 ASP A OD2 1 -ATOM 311 N N . ALA A 1 40 ? 28.299 31.730 26.339 1.00 36.12 ? 40 ALA A N 1 -ATOM 312 C CA . ALA A 1 40 ? 28.305 30.267 26.358 1.00 39.54 ? 40 ALA A CA 1 -ATOM 313 C C . ALA A 1 40 ? 28.159 29.796 24.912 1.00 40.75 ? 40 ALA A C 1 -ATOM 314 O O . ALA A 1 40 ? 27.886 30.597 24.009 1.00 47.14 ? 40 ALA A O 1 -ATOM 315 C CB . ALA A 1 40 ? 27.148 29.721 27.221 1.00 39.01 ? 40 ALA A CB 1 -ATOM 316 N N . ALA A 1 41 ? 28.302 28.496 24.692 1.00 37.75 ? 41 ALA A N 1 -ATOM 317 C CA . ALA A 1 41 ? 28.199 27.954 23.349 1.00 35.64 ? 41 ALA A CA 1 -ATOM 318 C C . ALA A 1 41 ? 26.766 27.721 22.862 1.00 37.61 ? 41 ALA A C 1 -ATOM 319 O O . ALA A 1 41 ? 26.393 28.149 21.771 1.00 45.05 ? 41 ALA A O 1 -ATOM 320 C CB . ALA A 1 41 ? 29.007 26.674 23.242 1.00 28.93 ? 41 ALA A CB 1 -ATOM 321 N N . SER A 1 42 ? 25.935 27.138 23.711 1.00 36.93 ? 42 SER A N 1 -ATOM 322 C CA . SER A 1 42 ? 24.567 26.792 23.334 1.00 36.62 ? 42 SER A CA 1 -ATOM 323 C C . SER A 1 42 ? 23.597 27.816 22.783 1.00 38.55 ? 42 SER A C 1 -ATOM 324 O O . SER A 1 42 ? 22.772 27.469 21.933 1.00 40.37 ? 42 SER A O 1 -ATOM 325 C CB . SER A 1 42 ? 23.872 26.060 24.483 1.00 40.66 ? 42 SER A CB 1 -ATOM 326 O OG . SER A 1 42 ? 23.883 26.843 25.662 1.00 47.64 ? 42 SER A OG 1 -ATOM 327 N N . GLN A 1 43 ? 23.649 29.045 23.297 1.00 38.97 ? 43 GLN A N 1 -ATOM 328 C CA . GLN A 1 43 ? 22.706 30.109 22.910 1.00 33.05 ? 43 GLN A CA 1 -ATOM 329 C C . GLN A 1 43 ? 21.277 29.652 23.206 1.00 33.87 ? 43 GLN A C 1 -ATOM 330 O O . GLN A 1 43 ? 20.325 30.065 22.536 1.00 35.54 ? 43 GLN A O 1 -ATOM 331 C CB . GLN A 1 43 ? 22.831 30.492 21.442 1.00 28.08 ? 43 GLN A CB 1 -ATOM 332 C CG . GLN A 1 43 ? 24.164 31.096 21.105 1.00 34.29 ? 43 GLN A CG 1 -ATOM 333 C CD . GLN A 1 43 ? 24.472 32.333 21.923 1.00 35.10 ? 43 GLN A CD 1 -ATOM 334 O OE1 . GLN A 1 43 ? 23.740 33.331 21.856 1.00 37.56 ? 43 GLN A OE1 1 -ATOM 335 N NE2 . GLN A 1 43 ? 25.567 32.286 22.690 1.00 21.44 ? 43 GLN A NE2 1 -ATOM 336 N N . ARG A 1 44 ? 21.148 28.827 24.246 1.00 32.15 ? 44 ARG A N 1 -ATOM 337 C CA . ARG A 1 44 ? 19.870 28.289 24.676 1.00 31.01 ? 44 ARG A CA 1 -ATOM 338 C C . ARG A 1 44 ? 19.760 28.333 26.173 1.00 29.58 ? 44 ARG A C 1 -ATOM 339 O O . ARG A 1 44 ? 20.776 28.412 26.858 1.00 36.76 ? 44 ARG A O 1 -ATOM 340 C CB . ARG A 1 44 ? 19.737 26.845 24.229 1.00 30.97 ? 44 ARG A CB 1 -ATOM 341 C CG . ARG A 1 44 ? 19.373 26.721 22.795 1.00 28.07 ? 44 ARG A CG 1 -ATOM 342 C CD . ARG A 1 44 ? 19.247 25.295 22.439 1.00 31.90 ? 44 ARG A CD 1 -ATOM 343 N NE . ARG A 1 44 ? 18.053 24.647 22.977 1.00 36.63 ? 44 ARG A NE 1 -ATOM 344 C CZ . ARG A 1 44 ? 16.798 25.027 22.734 1.00 35.92 ? 44 ARG A CZ 1 -ATOM 345 N NH1 . ARG A 1 44 ? 16.532 26.084 21.971 1.00 28.06 ? 44 ARG A NH1 1 -ATOM 346 N NH2 . ARG A 1 44 ? 15.799 24.263 23.149 1.00 34.22 ? 44 ARG A NH2 1 -ATOM 347 N N . MET A 1 45 ? 18.525 28.340 26.669 1.00 31.42 ? 45 MET A N 1 -ATOM 348 C CA . MET A 1 45 ? 18.253 28.337 28.109 1.00 29.72 ? 45 MET A CA 1 -ATOM 349 C C . MET A 1 45 ? 18.633 26.939 28.570 1.00 30.58 ? 45 MET A C 1 -ATOM 350 O O . MET A 1 45 ? 18.141 25.962 28.013 1.00 39.07 ? 45 MET A O 1 -ATOM 351 C CB . MET A 1 45 ? 16.764 28.542 28.358 1.00 31.31 ? 45 MET A CB 1 -ATOM 352 C CG . MET A 1 45 ? 16.386 28.525 29.808 1.00 26.87 ? 45 MET A CG 1 -ATOM 353 S SD . MET A 1 45 ? 17.001 30.016 30.573 1.00 30.14 ? 45 MET A SD 1 -ATOM 354 C CE . MET A 1 45 ? 15.531 30.860 30.685 1.00 17.84 ? 45 MET A CE 1 -ATOM 355 N N . GLU A 1 46 ? 19.499 26.817 29.562 1.00 27.36 ? 46 GLU A N 1 -ATOM 356 C CA . GLU A 1 46 ? 19.902 25.492 29.998 1.00 26.29 ? 46 GLU A CA 1 -ATOM 357 C C . GLU A 1 46 ? 19.382 25.094 31.380 1.00 30.98 ? 46 GLU A C 1 -ATOM 358 O O . GLU A 1 46 ? 19.167 25.948 32.247 1.00 30.08 ? 46 GLU A O 1 -ATOM 359 C CB . GLU A 1 46 ? 21.422 25.388 29.959 1.00 24.65 ? 46 GLU A CB 1 -ATOM 360 C CG . GLU A 1 46 ? 22.028 25.628 28.602 1.00 30.21 ? 46 GLU A CG 1 -ATOM 361 C CD . GLU A 1 46 ? 23.506 25.949 28.679 1.00 36.56 ? 46 GLU A CD 1 -ATOM 362 O OE1 . GLU A 1 46 ? 24.316 25.003 28.668 1.00 45.02 ? 46 GLU A OE1 1 -ATOM 363 O OE2 . GLU A 1 46 ? 23.859 27.150 28.745 1.00 42.72 ? 46 GLU A OE2 1 -ATOM 364 N N . PRO A 1 47 ? 19.140 23.782 31.587 1.00 32.34 ? 47 PRO A N 1 -ATOM 365 C CA . PRO A 1 47 ? 18.653 23.250 32.860 1.00 30.87 ? 47 PRO A CA 1 -ATOM 366 C C . PRO A 1 47 ? 19.814 23.183 33.835 1.00 34.24 ? 47 PRO A C 1 -ATOM 367 O O . PRO A 1 47 ? 20.886 22.667 33.503 1.00 35.01 ? 47 PRO A O 1 -ATOM 368 C CB . PRO A 1 47 ? 18.231 21.822 32.510 1.00 26.82 ? 47 PRO A CB 1 -ATOM 369 C CG . PRO A 1 47 ? 18.192 21.786 31.016 1.00 37.54 ? 47 PRO A CG 1 -ATOM 370 C CD . PRO A 1 47 ? 19.285 22.701 30.604 1.00 31.55 ? 47 PRO A CD 1 -ATOM 371 N N . ARG A 1 48 ? 19.620 23.742 35.022 1.00 38.71 ? 48 ARG A N 1 -ATOM 372 C CA . ARG A 1 48 ? 20.643 23.697 36.051 1.00 41.68 ? 48 ARG A CA 1 -ATOM 373 C C . ARG A 1 48 ? 20.099 22.990 37.294 1.00 41.02 ? 48 ARG A C 1 -ATOM 374 O O . ARG A 1 48 ? 20.711 23.031 38.360 1.00 45.65 ? 48 ARG A O 1 -ATOM 375 C CB . ARG A 1 48 ? 21.194 25.091 36.359 1.00 40.09 ? 48 ARG A CB 1 -ATOM 376 C CG . ARG A 1 48 ? 22.081 25.636 35.250 1.00 42.60 ? 48 ARG A CG 1 -ATOM 377 C CD . ARG A 1 48 ? 23.485 25.945 35.735 1.00 50.49 ? 48 ARG A CD 1 -ATOM 378 N NE . ARG A 1 48 ? 24.393 24.805 35.638 1.00 62.37 ? 48 ARG A NE 1 -ATOM 379 C CZ . ARG A 1 48 ? 25.710 24.876 35.843 1.00 76.10 ? 48 ARG A CZ 1 -ATOM 380 N NH1 . ARG A 1 48 ? 26.282 26.033 36.163 1.00 78.36 ? 48 ARG A NH1 1 -ATOM 381 N NH2 . ARG A 1 48 ? 26.471 23.791 35.717 1.00 85.21 ? 48 ARG A NH2 1 -ATOM 382 N N . ALA A 1 49 ? 18.972 22.301 37.114 1.00 40.11 ? 49 ALA A N 1 -ATOM 383 C CA . ALA A 1 49 ? 18.313 21.525 38.163 1.00 41.93 ? 49 ALA A CA 1 -ATOM 384 C C . ALA A 1 49 ? 17.722 20.266 37.516 1.00 42.94 ? 49 ALA A C 1 -ATOM 385 O O . ALA A 1 49 ? 17.093 20.347 36.474 1.00 46.35 ? 49 ALA A O 1 -ATOM 386 C CB . ALA A 1 49 ? 17.215 22.345 38.817 1.00 50.28 ? 49 ALA A CB 1 -ATOM 387 N N . PRO A 1 50 ? 17.866 19.098 38.154 1.00 46.61 ? 50 PRO A N 1 -ATOM 388 C CA . PRO A 1 50 ? 17.345 17.840 37.609 1.00 44.57 ? 50 PRO A CA 1 -ATOM 389 C C . PRO A 1 50 ? 15.843 17.787 37.389 1.00 40.45 ? 50 PRO A C 1 -ATOM 390 O O . PRO A 1 50 ? 15.377 17.118 36.482 1.00 48.48 ? 50 PRO A O 1 -ATOM 391 C CB . PRO A 1 50 ? 17.777 16.808 38.652 1.00 48.77 ? 50 PRO A CB 1 -ATOM 392 C CG . PRO A 1 50 ? 18.998 17.430 39.269 1.00 53.65 ? 50 PRO A CG 1 -ATOM 393 C CD . PRO A 1 50 ? 18.538 18.853 39.443 1.00 53.12 ? 50 PRO A CD 1 -ATOM 394 N N . TRP A 1 51 ? 15.085 18.493 38.211 1.00 38.26 ? 51 TRP A N 1 -ATOM 395 C CA . TRP A 1 51 ? 13.630 18.480 38.087 1.00 35.29 ? 51 TRP A CA 1 -ATOM 396 C C . TRP A 1 51 ? 13.122 19.224 36.870 1.00 33.17 ? 51 TRP A C 1 -ATOM 397 O O . TRP A 1 51 ? 12.050 18.909 36.358 1.00 34.11 ? 51 TRP A O 1 -ATOM 398 C CB . TRP A 1 51 ? 12.955 19.002 39.373 1.00 41.75 ? 51 TRP A CB 1 -ATOM 399 C CG . TRP A 1 51 ? 13.607 20.228 40.030 1.00 43.84 ? 51 TRP A CG 1 -ATOM 400 C CD1 . TRP A 1 51 ? 14.737 20.247 40.807 1.00 42.92 ? 51 TRP A CD1 1 -ATOM 401 C CD2 . TRP A 1 51 ? 13.144 21.584 39.972 1.00 44.75 ? 51 TRP A CD2 1 -ATOM 402 N NE1 . TRP A 1 51 ? 15.003 21.526 41.227 1.00 44.81 ? 51 TRP A NE1 1 -ATOM 403 C CE2 . TRP A 1 51 ? 14.042 22.367 40.732 1.00 44.64 ? 51 TRP A CE2 1 -ATOM 404 C CE3 . TRP A 1 51 ? 12.060 22.217 39.347 1.00 47.01 ? 51 TRP A CE3 1 -ATOM 405 C CZ2 . TRP A 1 51 ? 13.887 23.751 40.886 1.00 44.41 ? 51 TRP A CZ2 1 -ATOM 406 C CZ3 . TRP A 1 51 ? 11.908 23.595 39.499 1.00 45.53 ? 51 TRP A CZ3 1 -ATOM 407 C CH2 . TRP A 1 51 ? 12.816 24.343 40.264 1.00 43.36 ? 51 TRP A CH2 1 -ATOM 408 N N . ILE A 1 52 ? 13.909 20.195 36.402 1.00 36.63 ? 52 ILE A N 1 -ATOM 409 C CA . ILE A 1 52 ? 13.555 21.013 35.235 1.00 33.67 ? 52 ILE A CA 1 -ATOM 410 C C . ILE A 1 52 ? 13.915 20.269 33.960 1.00 34.30 ? 52 ILE A C 1 -ATOM 411 O O . ILE A 1 52 ? 13.266 20.448 32.941 1.00 38.39 ? 52 ILE A O 1 -ATOM 412 C CB . ILE A 1 52 ? 14.247 22.433 35.272 1.00 26.94 ? 52 ILE A CB 1 -ATOM 413 C CG1 . ILE A 1 52 ? 13.459 23.449 34.450 1.00 23.30 ? 52 ILE A CG1 1 -ATOM 414 C CG2 . ILE A 1 52 ? 15.631 22.387 34.668 1.00 22.58 ? 52 ILE A CG2 1 -ATOM 415 C CD1 . ILE A 1 52 ? 11.972 23.482 34.758 1.00 23.38 ? 52 ILE A CD1 1 -ATOM 416 N N . GLU A 1 53 ? 14.906 19.384 34.047 1.00 36.96 ? 53 GLU A N 1 -ATOM 417 C CA . GLU A 1 53 ? 15.352 18.597 32.901 1.00 38.95 ? 53 GLU A CA 1 -ATOM 418 C C . GLU A 1 53 ? 14.222 17.809 32.264 1.00 39.99 ? 53 GLU A C 1 -ATOM 419 O O . GLU A 1 53 ? 14.282 17.493 31.083 1.00 48.15 ? 53 GLU A O 1 -ATOM 420 C CB . GLU A 1 53 ? 16.472 17.635 33.293 1.00 35.63 ? 53 GLU A CB 1 -ATOM 421 C CG . GLU A 1 53 ? 17.784 18.302 33.664 1.00 43.82 ? 53 GLU A CG 1 -ATOM 422 C CD . GLU A 1 53 ? 18.904 17.302 33.925 1.00 53.25 ? 53 GLU A CD 1 -ATOM 423 O OE1 . GLU A 1 53 ? 18.618 16.170 34.380 1.00 54.68 ? 53 GLU A OE1 1 -ATOM 424 O OE2 . GLU A 1 53 ? 20.083 17.650 33.679 1.00 60.20 ? 53 GLU A OE2 1 -ATOM 425 N N . GLN A 1 54 ? 13.194 17.491 33.041 1.00 42.37 ? 54 GLN A N 1 -ATOM 426 C CA . GLN A 1 54 ? 12.070 16.742 32.506 1.00 43.57 ? 54 GLN A CA 1 -ATOM 427 C C . GLN A 1 54 ? 11.171 17.556 31.584 1.00 49.25 ? 54 GLN A C 1 -ATOM 428 O O . GLN A 1 54 ? 10.396 16.979 30.811 1.00 52.66 ? 54 GLN A O 1 -ATOM 429 N N . GLU A 1 55 ? 11.291 18.886 31.633 1.00 50.17 ? 55 GLU A N 1 -ATOM 430 C CA . GLU A 1 55 ? 10.468 19.782 30.813 1.00 46.06 ? 55 GLU A CA 1 -ATOM 431 C C . GLU A 1 55 ? 10.680 19.614 29.315 1.00 46.45 ? 55 GLU A C 1 -ATOM 432 O O . GLU A 1 55 ? 11.813 19.528 28.832 1.00 43.58 ? 55 GLU A O 1 -ATOM 433 C CB . GLU A 1 55 ? 10.681 21.242 31.220 1.00 44.75 ? 55 GLU A CB 1 -ATOM 434 C CG . GLU A 1 55 ? 10.028 21.641 32.559 1.00 48.92 ? 55 GLU A CG 1 -ATOM 435 C CD . GLU A 1 55 ? 8.511 21.808 32.484 1.00 50.67 ? 55 GLU A CD 1 -ATOM 436 O OE1 . GLU A 1 55 ? 7.977 22.001 31.371 1.00 57.20 ? 55 GLU A OE1 1 -ATOM 437 O OE2 . GLU A 1 55 ? 7.844 21.752 33.542 1.00 45.78 ? 55 GLU A OE2 1 -ATOM 438 N N . GLY A 1 56 ? 9.568 19.609 28.589 1.00 46.88 ? 56 GLY A N 1 -ATOM 439 C CA . GLY A 1 56 ? 9.604 19.432 27.151 1.00 51.13 ? 56 GLY A CA 1 -ATOM 440 C C . GLY A 1 56 ? 10.482 20.396 26.371 1.00 50.85 ? 56 GLY A C 1 -ATOM 441 O O . GLY A 1 56 ? 10.816 21.486 26.855 1.00 52.06 ? 56 GLY A O 1 -ATOM 442 N N . PRO A 1 57 ? 10.834 20.031 25.127 1.00 49.18 ? 57 PRO A N 1 -ATOM 443 C CA . PRO A 1 57 ? 11.672 20.814 24.212 1.00 44.35 ? 57 PRO A CA 1 -ATOM 444 C C . PRO A 1 57 ? 11.017 22.154 23.919 1.00 38.70 ? 57 PRO A C 1 -ATOM 445 O O . PRO A 1 57 ? 11.692 23.166 23.757 1.00 36.98 ? 57 PRO A O 1 -ATOM 446 C CB . PRO A 1 57 ? 11.713 19.939 22.962 1.00 49.11 ? 57 PRO A CB 1 -ATOM 447 C CG . PRO A 1 57 ? 11.522 18.552 23.506 1.00 52.68 ? 57 PRO A CG 1 -ATOM 448 C CD . PRO A 1 57 ? 10.421 18.768 24.496 1.00 50.32 ? 57 PRO A CD 1 -ATOM 449 N N . GLU A 1 58 ? 9.692 22.154 23.887 1.00 36.33 ? 58 GLU A N 1 -ATOM 450 C CA . GLU A 1 58 ? 8.934 23.373 23.630 1.00 42.64 ? 58 GLU A CA 1 -ATOM 451 C C . GLU A 1 58 ? 9.244 24.382 24.714 1.00 39.91 ? 58 GLU A C 1 -ATOM 452 O O . GLU A 1 58 ? 9.255 25.580 24.458 1.00 43.48 ? 58 GLU A O 1 -ATOM 453 C CB . GLU A 1 58 ? 7.435 23.095 23.651 1.00 45.02 ? 58 GLU A CB 1 -ATOM 454 C CG . GLU A 1 58 ? 6.991 21.993 22.720 1.00 60.35 ? 58 GLU A CG 1 -ATOM 455 C CD . GLU A 1 58 ? 5.971 21.093 23.372 1.00 70.00 ? 58 GLU A CD 1 -ATOM 456 O OE1 . GLU A 1 58 ? 5.069 21.620 24.071 1.00 80.76 ? 58 GLU A OE1 1 -ATOM 457 O OE2 . GLU A 1 58 ? 6.087 19.858 23.207 1.00 72.53 ? 58 GLU A OE2 1 -ATOM 458 N N . TYR A 1 59 ? 9.469 23.876 25.925 1.00 35.36 ? 59 TYR A N 1 -ATOM 459 C CA . TYR A 1 59 ? 9.782 24.700 27.078 1.00 25.10 ? 59 TYR A CA 1 -ATOM 460 C C . TYR A 1 59 ? 11.122 25.321 26.790 1.00 21.33 ? 59 TYR A C 1 -ATOM 461 O O . TYR A 1 59 ? 11.272 26.533 26.807 1.00 19.44 ? 59 TYR A O 1 -ATOM 462 C CB . TYR A 1 59 ? 9.836 23.833 28.351 1.00 27.66 ? 59 TYR A CB 1 -ATOM 463 C CG . TYR A 1 59 ? 10.236 24.565 29.618 1.00 22.66 ? 59 TYR A CG 1 -ATOM 464 C CD1 . TYR A 1 59 ? 11.578 24.723 29.950 1.00 20.27 ? 59 TYR A CD1 1 -ATOM 465 C CD2 . TYR A 1 59 ? 9.270 25.099 30.481 1.00 22.30 ? 59 TYR A CD2 1 -ATOM 466 C CE1 . TYR A 1 59 ? 11.962 25.388 31.096 1.00 27.55 ? 59 TYR A CE1 1 -ATOM 467 C CE2 . TYR A 1 59 ? 9.640 25.771 31.643 1.00 28.35 ? 59 TYR A CE2 1 -ATOM 468 C CZ . TYR A 1 59 ? 10.998 25.916 31.948 1.00 33.11 ? 59 TYR A CZ 1 -ATOM 469 O OH . TYR A 1 59 ? 11.410 26.584 33.092 1.00 30.35 ? 59 TYR A OH 1 -ATOM 470 N N . TRP A 1 60 ? 12.084 24.496 26.428 1.00 18.53 ? 60 TRP A N 1 -ATOM 471 C CA . TRP A 1 60 ? 13.396 25.038 26.154 1.00 26.41 ? 60 TRP A CA 1 -ATOM 472 C C . TRP A 1 60 ? 13.425 25.977 24.946 1.00 34.71 ? 60 TRP A C 1 -ATOM 473 O O . TRP A 1 60 ? 14.136 26.983 24.952 1.00 33.69 ? 60 TRP A O 1 -ATOM 474 C CB . TRP A 1 60 ? 14.407 23.903 26.063 1.00 30.96 ? 60 TRP A CB 1 -ATOM 475 C CG . TRP A 1 60 ? 14.394 23.085 27.319 1.00 33.16 ? 60 TRP A CG 1 -ATOM 476 C CD1 . TRP A 1 60 ? 13.908 21.825 27.482 1.00 26.08 ? 60 TRP A CD1 1 -ATOM 477 C CD2 . TRP A 1 60 ? 14.815 23.525 28.616 1.00 39.52 ? 60 TRP A CD2 1 -ATOM 478 N NE1 . TRP A 1 60 ? 13.993 21.447 28.796 1.00 36.92 ? 60 TRP A NE1 1 -ATOM 479 C CE2 . TRP A 1 60 ? 14.549 22.478 29.515 1.00 36.94 ? 60 TRP A CE2 1 -ATOM 480 C CE3 . TRP A 1 60 ? 15.391 24.706 29.102 1.00 41.12 ? 60 TRP A CE3 1 -ATOM 481 C CZ2 . TRP A 1 60 ? 14.836 22.569 30.869 1.00 35.46 ? 60 TRP A CZ2 1 -ATOM 482 C CZ3 . TRP A 1 60 ? 15.679 24.800 30.445 1.00 38.74 ? 60 TRP A CZ3 1 -ATOM 483 C CH2 . TRP A 1 60 ? 15.401 23.739 31.314 1.00 41.72 ? 60 TRP A CH2 1 -ATOM 484 N N . ASP A 1 61 ? 12.600 25.692 23.940 1.00 38.54 ? 61 ASP A N 1 -ATOM 485 C CA . ASP A 1 61 ? 12.536 26.541 22.756 1.00 35.40 ? 61 ASP A CA 1 -ATOM 486 C C . ASP A 1 61 ? 11.861 27.842 23.142 1.00 29.07 ? 61 ASP A C 1 -ATOM 487 O O . ASP A 1 61 ? 12.388 28.925 22.895 1.00 32.90 ? 61 ASP A O 1 -ATOM 488 C CB . ASP A 1 61 ? 11.756 25.865 21.616 1.00 42.39 ? 61 ASP A CB 1 -ATOM 489 C CG . ASP A 1 61 ? 12.576 24.810 20.869 1.00 46.82 ? 61 ASP A CG 1 -ATOM 490 O OD1 . ASP A 1 61 ? 13.794 24.672 21.121 1.00 57.94 ? 61 ASP A OD1 1 -ATOM 491 O OD2 . ASP A 1 61 ? 11.993 24.109 20.021 1.00 41.51 ? 61 ASP A OD2 1 -ATOM 492 N N . GLY A 1 62 ? 10.716 27.728 23.793 1.00 23.88 ? 62 GLY A N 1 -ATOM 493 C CA . GLY A 1 62 ? 9.987 28.905 24.220 1.00 22.86 ? 62 GLY A CA 1 -ATOM 494 C C . GLY A 1 62 ? 10.746 29.754 25.218 1.00 22.51 ? 62 GLY A C 1 -ATOM 495 O O . GLY A 1 62 ? 10.639 30.979 25.199 1.00 22.37 ? 62 GLY A O 1 -ATOM 496 N N . GLU A 1 63 ? 11.527 29.114 26.081 1.00 25.30 ? 63 GLU A N 1 -ATOM 497 C CA . GLU A 1 63 ? 12.281 29.847 27.088 1.00 26.05 ? 63 GLU A CA 1 -ATOM 498 C C . GLU A 1 63 ? 13.535 30.464 26.523 1.00 21.96 ? 63 GLU A C 1 -ATOM 499 O O . GLU A 1 63 ? 13.993 31.504 27.006 1.00 23.40 ? 63 GLU A O 1 -ATOM 500 C CB . GLU A 1 63 ? 12.602 28.974 28.305 1.00 28.62 ? 63 GLU A CB 1 -ATOM 501 C CG . GLU A 1 63 ? 11.369 28.614 29.138 1.00 22.01 ? 63 GLU A CG 1 -ATOM 502 C CD . GLU A 1 63 ? 10.547 29.827 29.579 1.00 29.44 ? 63 GLU A CD 1 -ATOM 503 O OE1 . GLU A 1 63 ? 10.957 30.483 30.554 1.00 24.58 ? 63 GLU A OE1 1 -ATOM 504 O OE2 . GLU A 1 63 ? 9.474 30.108 28.983 1.00 23.29 ? 63 GLU A OE2 1 -ATOM 505 N N . THR A 1 64 ? 14.098 29.826 25.506 1.00 21.53 ? 64 THR A N 1 -ATOM 506 C CA . THR A 1 64 ? 15.289 30.368 24.862 1.00 21.34 ? 64 THR A CA 1 -ATOM 507 C C . THR A 1 64 ? 14.915 31.671 24.155 1.00 19.70 ? 64 THR A C 1 -ATOM 508 O O . THR A 1 64 ? 15.631 32.667 24.242 1.00 22.87 ? 64 THR A O 1 -ATOM 509 C CB . THR A 1 64 ? 15.881 29.394 23.840 1.00 19.96 ? 64 THR A CB 1 -ATOM 510 O OG1 . THR A 1 64 ? 16.267 28.174 24.505 1.00 23.07 ? 64 THR A OG1 1 -ATOM 511 C CG2 . THR A 1 64 ? 17.116 30.029 23.171 1.00 13.96 ? 64 THR A CG2 1 -ATOM 512 N N . ARG A 1 65 ? 13.754 31.674 23.516 1.00 14.98 ? 65 ARG A N 1 -ATOM 513 C CA . ARG A 1 65 ? 13.282 32.850 22.811 1.00 16.54 ? 65 ARG A CA 1 -ATOM 514 C C . ARG A 1 65 ? 13.127 34.008 23.784 1.00 16.98 ? 65 ARG A C 1 -ATOM 515 O O . ARG A 1 65 ? 13.874 34.980 23.720 1.00 23.66 ? 65 ARG A O 1 -ATOM 516 C CB . ARG A 1 65 ? 11.951 32.526 22.132 1.00 28.08 ? 65 ARG A CB 1 -ATOM 517 C CG . ARG A 1 65 ? 11.281 33.682 21.384 1.00 22.73 ? 65 ARG A CG 1 -ATOM 518 C CD . ARG A 1 65 ? 10.341 33.106 20.381 1.00 16.69 ? 65 ARG A CD 1 -ATOM 519 N NE . ARG A 1 65 ? 9.604 31.961 20.920 1.00 16.16 ? 65 ARG A NE 1 -ATOM 520 C CZ . ARG A 1 65 ? 8.528 32.104 21.661 1.00 17.44 ? 65 ARG A CZ 1 -ATOM 521 N NH1 . ARG A 1 65 ? 8.122 33.327 21.923 1.00 23.56 ? 65 ARG A NH1 1 -ATOM 522 N NH2 . ARG A 1 65 ? 7.825 31.063 22.071 1.00 20.58 ? 65 ARG A NH2 1 -ATOM 523 N N . LYS A 1 66 ? 12.174 33.879 24.703 1.00 18.19 ? 66 LYS A N 1 -ATOM 524 C CA . LYS A 1 66 ? 11.920 34.891 25.723 1.00 15.38 ? 66 LYS A CA 1 -ATOM 525 C C . LYS A 1 66 ? 13.201 35.389 26.432 1.00 17.89 ? 66 LYS A C 1 -ATOM 526 O O . LYS A 1 66 ? 13.379 36.607 26.635 1.00 22.26 ? 66 LYS A O 1 -ATOM 527 C CB . LYS A 1 66 ? 10.984 34.340 26.783 1.00 12.10 ? 66 LYS A CB 1 -ATOM 528 C CG . LYS A 1 66 ? 9.591 33.921 26.348 1.00 7.79 ? 66 LYS A CG 1 -ATOM 529 C CD . LYS A 1 66 ? 8.763 33.957 27.641 1.00 24.23 ? 66 LYS A CD 1 -ATOM 530 C CE . LYS A 1 66 ? 7.687 32.906 27.745 1.00 26.63 ? 66 LYS A CE 1 -ATOM 531 N NZ . LYS A 1 66 ? 7.767 32.279 29.097 1.00 21.90 ? 66 LYS A NZ 1 -ATOM 532 N N . VAL A 1 67 ? 14.075 34.477 26.855 1.00 15.77 ? 67 VAL A N 1 -ATOM 533 C CA . VAL A 1 67 ? 15.303 34.918 27.514 1.00 17.85 ? 67 VAL A CA 1 -ATOM 534 C C . VAL A 1 67 ? 16.119 35.778 26.541 1.00 18.50 ? 67 VAL A C 1 -ATOM 535 O O . VAL A 1 67 ? 16.607 36.848 26.922 1.00 18.90 ? 67 VAL A O 1 -ATOM 536 C CB . VAL A 1 67 ? 16.156 33.742 28.075 1.00 13.00 ? 67 VAL A CB 1 -ATOM 537 C CG1 . VAL A 1 67 ? 17.053 33.170 27.007 1.00 12.53 ? 67 VAL A CG1 1 -ATOM 538 C CG2 . VAL A 1 67 ? 16.998 34.219 29.266 1.00 11.70 ? 67 VAL A CG2 1 -ATOM 539 N N . LYS A 1 68 ? 16.208 35.352 25.276 1.00 19.05 ? 68 LYS A N 1 -ATOM 540 C CA . LYS A 1 68 ? 16.947 36.120 24.283 1.00 15.09 ? 68 LYS A CA 1 -ATOM 541 C C . LYS A 1 68 ? 16.263 37.490 24.133 1.00 14.68 ? 68 LYS A C 1 -ATOM 542 O O . LYS A 1 68 ? 16.940 38.510 23.956 1.00 17.18 ? 68 LYS A O 1 -ATOM 543 C CB . LYS A 1 68 ? 17.095 35.349 22.963 1.00 15.36 ? 68 LYS A CB 1 -ATOM 544 C CG . LYS A 1 68 ? 18.549 34.853 22.696 1.00 20.61 ? 68 LYS A CG 1 -ATOM 545 C CD . LYS A 1 68 ? 18.620 33.488 21.975 1.00 23.59 ? 68 LYS A CD 1 -ATOM 546 C CE . LYS A 1 68 ? 18.071 33.556 20.552 1.00 35.31 ? 68 LYS A CE 1 -ATOM 547 N NZ . LYS A 1 68 ? 17.994 32.224 19.865 1.00 40.15 ? 68 LYS A NZ 1 -ATOM 548 N N . ALA A 1 69 ? 14.941 37.531 24.312 1.00 12.73 ? 69 ALA A N 1 -ATOM 549 C CA . ALA A 1 69 ? 14.195 38.795 24.272 1.00 10.25 ? 69 ALA A CA 1 -ATOM 550 C C . ALA A 1 69 ? 14.725 39.670 25.389 1.00 18.46 ? 69 ALA A C 1 -ATOM 551 O O . ALA A 1 69 ? 14.998 40.857 25.182 1.00 22.68 ? 69 ALA A O 1 -ATOM 552 C CB . ALA A 1 69 ? 12.722 38.563 24.484 1.00 8.79 ? 69 ALA A CB 1 -ATOM 553 N N . HIS A 1 70 ? 14.900 39.070 26.573 1.00 21.69 ? 70 HIS A N 1 -ATOM 554 C CA . HIS A 1 70 ? 15.423 39.789 27.745 1.00 18.52 ? 70 HIS A CA 1 -ATOM 555 C C . HIS A 1 70 ? 16.806 40.360 27.431 1.00 17.27 ? 70 HIS A C 1 -ATOM 556 O O . HIS A 1 70 ? 17.145 41.482 27.834 1.00 19.29 ? 70 HIS A O 1 -ATOM 557 C CB . HIS A 1 70 ? 15.489 38.868 28.980 1.00 14.35 ? 70 HIS A CB 1 -ATOM 558 C CG . HIS A 1 70 ? 14.182 38.724 29.704 1.00 12.05 ? 70 HIS A CG 1 -ATOM 559 N ND1 . HIS A 1 70 ? 13.157 37.917 29.251 1.00 21.77 ? 70 HIS A ND1 1 -ATOM 560 C CD2 . HIS A 1 70 ? 13.720 39.299 30.838 1.00 15.77 ? 70 HIS A CD2 1 -ATOM 561 C CE1 . HIS A 1 70 ? 12.125 38.003 30.072 1.00 12.38 ? 70 HIS A CE1 1 -ATOM 562 N NE2 . HIS A 1 70 ? 12.440 38.837 31.044 1.00 15.69 ? 70 HIS A NE2 1 -ATOM 563 N N . SER A 1 71 ? 17.592 39.595 26.690 1.00 21.26 ? 71 SER A N 1 -ATOM 564 C CA . SER A 1 71 ? 18.943 40.000 26.296 1.00 24.67 ? 71 SER A CA 1 -ATOM 565 C C . SER A 1 71 ? 18.910 41.245 25.424 1.00 26.22 ? 71 SER A C 1 -ATOM 566 O O . SER A 1 71 ? 19.547 42.260 25.745 1.00 27.79 ? 71 SER A O 1 -ATOM 567 C CB . SER A 1 71 ? 19.624 38.859 25.526 1.00 24.84 ? 71 SER A CB 1 -ATOM 568 O OG . SER A 1 71 ? 20.997 39.115 25.288 1.00 32.90 ? 71 SER A OG 1 -ATOM 569 N N . GLN A 1 72 ? 18.127 41.173 24.346 1.00 28.07 ? 72 GLN A N 1 -ATOM 570 C CA . GLN A 1 72 ? 18.005 42.267 23.393 1.00 27.23 ? 72 GLN A CA 1 -ATOM 571 C C . GLN A 1 72 ? 17.495 43.523 24.076 1.00 24.04 ? 72 GLN A C 1 -ATOM 572 O O . GLN A 1 72 ? 17.933 44.636 23.760 1.00 28.12 ? 72 GLN A O 1 -ATOM 573 C CB . GLN A 1 72 ? 17.064 41.881 22.242 1.00 32.27 ? 72 GLN A CB 1 -ATOM 574 C CG . GLN A 1 72 ? 17.073 42.880 21.071 1.00 41.72 ? 72 GLN A CG 1 -ATOM 575 C CD . GLN A 1 72 ? 18.372 42.833 20.260 1.00 46.90 ? 72 GLN A CD 1 -ATOM 576 O OE1 . GLN A 1 72 ? 18.670 41.830 19.596 1.00 45.94 ? 72 GLN A OE1 1 -ATOM 577 N NE2 . GLN A 1 72 ? 19.154 43.909 20.324 1.00 41.45 ? 72 GLN A NE2 1 -ATOM 578 N N . THR A 1 73 ? 16.538 43.354 24.978 1.00 19.78 ? 73 THR A N 1 -ATOM 579 C CA . THR A 1 73 ? 15.991 44.490 25.702 1.00 20.69 ? 73 THR A CA 1 -ATOM 580 C C . THR A 1 73 ? 17.073 45.225 26.508 1.00 22.64 ? 73 THR A C 1 -ATOM 581 O O . THR A 1 73 ? 17.154 46.457 26.493 1.00 25.09 ? 73 THR A O 1 -ATOM 582 C CB . THR A 1 73 ? 14.859 44.053 26.626 1.00 21.16 ? 73 THR A CB 1 -ATOM 583 O OG1 . THR A 1 73 ? 13.894 43.282 25.877 1.00 16.82 ? 73 THR A OG1 1 -ATOM 584 C CG2 . THR A 1 73 ? 14.195 45.277 27.240 1.00 11.29 ? 73 THR A CG2 1 -ATOM 585 N N . HIS A 1 74 ? 17.963 44.477 27.143 1.00 20.82 ? 74 HIS A N 1 -ATOM 586 C CA . HIS A 1 74 ? 19.008 45.115 27.924 1.00 23.93 ? 74 HIS A CA 1 -ATOM 587 C C . HIS A 1 74 ? 20.072 45.766 27.061 1.00 25.19 ? 74 HIS A C 1 -ATOM 588 O O . HIS A 1 74 ? 20.570 46.839 27.390 1.00 28.30 ? 74 HIS A O 1 -ATOM 589 C CB . HIS A 1 74 ? 19.614 44.131 28.920 1.00 26.24 ? 74 HIS A CB 1 -ATOM 590 C CG . HIS A 1 74 ? 18.662 43.723 29.999 1.00 25.50 ? 74 HIS A CG 1 -ATOM 591 N ND1 . HIS A 1 74 ? 17.338 43.432 29.754 1.00 30.18 ? 74 HIS A ND1 1 -ATOM 592 C CD2 . HIS A 1 74 ? 18.826 43.613 31.337 1.00 24.39 ? 74 HIS A CD2 1 -ATOM 593 C CE1 . HIS A 1 74 ? 16.725 43.169 30.893 1.00 26.56 ? 74 HIS A CE1 1 -ATOM 594 N NE2 . HIS A 1 74 ? 17.608 43.272 31.868 1.00 27.69 ? 74 HIS A NE2 1 -ATOM 595 N N . ARG A 1 75 ? 20.402 45.126 25.943 1.00 32.24 ? 75 ARG A N 1 -ATOM 596 C CA . ARG A 1 75 ? 21.398 45.655 25.009 1.00 30.52 ? 75 ARG A CA 1 -ATOM 597 C C . ARG A 1 75 ? 20.982 47.058 24.580 1.00 28.24 ? 75 ARG A C 1 -ATOM 598 O O . ARG A 1 75 ? 21.793 47.973 24.460 1.00 29.01 ? 75 ARG A O 1 -ATOM 599 C CB . ARG A 1 75 ? 21.469 44.758 23.780 1.00 32.77 ? 75 ARG A CB 1 -ATOM 600 C CG . ARG A 1 75 ? 22.364 45.289 22.709 1.00 48.52 ? 75 ARG A CG 1 -ATOM 601 C CD . ARG A 1 75 ? 22.072 44.646 21.388 1.00 61.14 ? 75 ARG A CD 1 -ATOM 602 N NE . ARG A 1 75 ? 22.684 45.406 20.308 1.00 79.30 ? 75 ARG A NE 1 -ATOM 603 C CZ . ARG A 1 75 ? 22.834 44.947 19.074 1.00 92.75 ? 75 ARG A CZ 1 -ATOM 604 N NH1 . ARG A 1 75 ? 22.413 43.723 18.768 1.00 99.99 ? 75 ARG A NH1 1 -ATOM 605 N NH2 . ARG A 1 75 ? 23.440 45.693 18.156 1.00 98.59 ? 75 ARG A NH2 1 -ATOM 606 N N . VAL A 1 76 ? 19.694 47.205 24.346 1.00 25.90 ? 76 VAL A N 1 -ATOM 607 C CA . VAL A 1 76 ? 19.142 48.470 23.941 1.00 27.99 ? 76 VAL A CA 1 -ATOM 608 C C . VAL A 1 76 ? 19.206 49.420 25.133 1.00 30.68 ? 76 VAL A C 1 -ATOM 609 O O . VAL A 1 76 ? 19.674 50.552 25.011 1.00 30.19 ? 76 VAL A O 1 -ATOM 610 C CB . VAL A 1 76 ? 17.686 48.261 23.479 1.00 29.05 ? 76 VAL A CB 1 -ATOM 611 C CG1 . VAL A 1 76 ? 16.970 49.584 23.292 1.00 27.83 ? 76 VAL A CG1 1 -ATOM 612 C CG2 . VAL A 1 76 ? 17.672 47.460 22.195 1.00 28.82 ? 76 VAL A CG2 1 -ATOM 613 N N . ASP A 1 77 ? 18.781 48.934 26.299 1.00 33.44 ? 77 ASP A N 1 -ATOM 614 C CA . ASP A 1 77 ? 18.768 49.748 27.513 1.00 27.08 ? 77 ASP A CA 1 -ATOM 615 C C . ASP A 1 77 ? 20.111 50.343 27.874 1.00 24.83 ? 77 ASP A C 1 -ATOM 616 O O . ASP A 1 77 ? 20.190 51.515 28.209 1.00 29.79 ? 77 ASP A O 1 -ATOM 617 C CB . ASP A 1 77 ? 18.200 48.964 28.694 1.00 28.35 ? 77 ASP A CB 1 -ATOM 618 C CG . ASP A 1 77 ? 16.714 48.657 28.534 1.00 35.33 ? 77 ASP A CG 1 -ATOM 619 O OD1 . ASP A 1 77 ? 16.088 49.195 27.596 1.00 33.79 ? 77 ASP A OD1 1 -ATOM 620 O OD2 . ASP A 1 77 ? 16.165 47.875 29.344 1.00 35.21 ? 77 ASP A OD2 1 -ATOM 621 N N . LEU A 1 78 ? 21.181 49.575 27.752 1.00 21.93 ? 78 LEU A N 1 -ATOM 622 C CA . LEU A 1 78 ? 22.489 50.105 28.102 1.00 24.87 ? 78 LEU A CA 1 -ATOM 623 C C . LEU A 1 78 ? 22.751 51.443 27.431 1.00 29.44 ? 78 LEU A C 1 -ATOM 624 O O . LEU A 1 78 ? 23.053 52.430 28.108 1.00 35.57 ? 78 LEU A O 1 -ATOM 625 C CB . LEU A 1 78 ? 23.579 49.091 27.782 1.00 24.41 ? 78 LEU A CB 1 -ATOM 626 C CG . LEU A 1 78 ? 23.640 47.933 28.788 1.00 26.71 ? 78 LEU A CG 1 -ATOM 627 C CD1 . LEU A 1 78 ? 24.409 46.745 28.240 1.00 28.79 ? 78 LEU A CD1 1 -ATOM 628 C CD2 . LEU A 1 78 ? 24.286 48.426 30.045 1.00 20.26 ? 78 LEU A CD2 1 -ATOM 629 N N . GLY A 1 79 ? 22.524 51.495 26.119 1.00 32.00 ? 79 GLY A N 1 -ATOM 630 C CA . GLY A 1 79 ? 22.748 52.713 25.349 1.00 27.69 ? 79 GLY A CA 1 -ATOM 631 C C . GLY A 1 79 ? 21.716 53.784 25.636 1.00 26.53 ? 79 GLY A C 1 -ATOM 632 O O . GLY A 1 79 ? 22.039 54.970 25.739 1.00 22.16 ? 79 GLY A O 1 -ATOM 633 N N . THR A 1 80 ? 20.462 53.361 25.741 1.00 28.52 ? 80 THR A N 1 -ATOM 634 C CA . THR A 1 80 ? 19.357 54.265 26.045 1.00 28.06 ? 80 THR A CA 1 -ATOM 635 C C . THR A 1 80 ? 19.735 55.066 27.301 1.00 34.04 ? 80 THR A C 1 -ATOM 636 O O . THR A 1 80 ? 19.687 56.302 27.308 1.00 38.38 ? 80 THR A O 1 -ATOM 637 C CB . THR A 1 80 ? 18.062 53.461 26.319 1.00 24.43 ? 80 THR A CB 1 -ATOM 638 O OG1 . THR A 1 80 ? 17.837 52.518 25.260 1.00 18.79 ? 80 THR A OG1 1 -ATOM 639 C CG2 . THR A 1 80 ? 16.865 54.383 26.445 1.00 29.02 ? 80 THR A CG2 1 -ATOM 640 N N . LEU A 1 81 ? 20.190 54.344 28.328 1.00 36.96 ? 81 LEU A N 1 -ATOM 641 C CA . LEU A 1 81 ? 20.601 54.923 29.599 1.00 31.70 ? 81 LEU A CA 1 -ATOM 642 C C . LEU A 1 81 ? 21.889 55.737 29.456 1.00 32.20 ? 81 LEU A C 1 -ATOM 643 O O . LEU A 1 81 ? 22.031 56.794 30.075 1.00 35.31 ? 81 LEU A O 1 -ATOM 644 C CB . LEU A 1 81 ? 20.763 53.824 30.652 1.00 24.14 ? 81 LEU A CB 1 -ATOM 645 C CG . LEU A 1 81 ? 19.483 53.083 31.042 1.00 20.25 ? 81 LEU A CG 1 -ATOM 646 C CD1 . LEU A 1 81 ? 19.823 51.833 31.800 1.00 19.92 ? 81 LEU A CD1 1 -ATOM 647 C CD2 . LEU A 1 81 ? 18.576 53.967 31.857 1.00 23.39 ? 81 LEU A CD2 1 -ATOM 648 N N . ARG A 1 82 ? 22.823 55.277 28.635 1.00 30.92 ? 82 ARG A N 1 -ATOM 649 C CA . ARG A 1 82 ? 24.047 56.044 28.458 1.00 31.32 ? 82 ARG A CA 1 -ATOM 650 C C . ARG A 1 82 ? 23.633 57.425 28.016 1.00 30.63 ? 82 ARG A C 1 -ATOM 651 O O . ARG A 1 82 ? 24.246 58.411 28.402 1.00 35.90 ? 82 ARG A O 1 -ATOM 652 C CB . ARG A 1 82 ? 24.956 55.435 27.398 1.00 37.40 ? 82 ARG A CB 1 -ATOM 653 C CG . ARG A 1 82 ? 26.180 56.298 27.099 1.00 51.62 ? 82 ARG A CG 1 -ATOM 654 C CD . ARG A 1 82 ? 26.798 55.974 25.741 1.00 67.62 ? 82 ARG A CD 1 -ATOM 655 N NE . ARG A 1 82 ? 25.829 56.125 24.655 1.00 82.20 ? 82 ARG A NE 1 -ATOM 656 C CZ . ARG A 1 82 ? 26.133 56.157 23.360 1.00 84.29 ? 82 ARG A CZ 1 -ATOM 657 N NH1 . ARG A 1 82 ? 27.392 56.053 22.958 1.00 83.04 ? 82 ARG A NH1 1 -ATOM 658 N NH2 . ARG A 1 82 ? 25.167 56.278 22.463 1.00 86.57 ? 82 ARG A NH2 1 -ATOM 659 N N . GLY A 1 83 ? 22.576 57.484 27.213 1.00 28.66 ? 83 GLY A N 1 -ATOM 660 C CA . GLY A 1 83 ? 22.075 58.754 26.735 1.00 31.18 ? 83 GLY A CA 1 -ATOM 661 C C . GLY A 1 83 ? 21.418 59.567 27.837 1.00 38.59 ? 83 GLY A C 1 -ATOM 662 O O . GLY A 1 83 ? 21.687 60.760 27.971 1.00 43.34 ? 83 GLY A O 1 -ATOM 663 N N . TYR A 1 84 ? 20.551 58.924 28.622 1.00 39.15 ? 84 TYR A N 1 -ATOM 664 C CA . TYR A 1 84 ? 19.829 59.565 29.725 1.00 30.73 ? 84 TYR A CA 1 -ATOM 665 C C . TYR A 1 84 ? 20.726 60.314 30.708 1.00 31.99 ? 84 TYR A C 1 -ATOM 666 O O . TYR A 1 84 ? 20.345 61.358 31.252 1.00 27.40 ? 84 TYR A O 1 -ATOM 667 C CB . TYR A 1 84 ? 19.045 58.510 30.495 1.00 29.83 ? 84 TYR A CB 1 -ATOM 668 C CG . TYR A 1 84 ? 17.798 58.008 29.818 1.00 26.97 ? 84 TYR A CG 1 -ATOM 669 C CD1 . TYR A 1 84 ? 17.144 58.768 28.862 1.00 27.52 ? 84 TYR A CD1 1 -ATOM 670 C CD2 . TYR A 1 84 ? 17.230 56.790 30.190 1.00 31.93 ? 84 TYR A CD2 1 -ATOM 671 C CE1 . TYR A 1 84 ? 15.952 58.332 28.296 1.00 30.26 ? 84 TYR A CE1 1 -ATOM 672 C CE2 . TYR A 1 84 ? 16.039 56.345 29.633 1.00 28.99 ? 84 TYR A CE2 1 -ATOM 673 C CZ . TYR A 1 84 ? 15.406 57.122 28.686 1.00 27.06 ? 84 TYR A CZ 1 -ATOM 674 O OH . TYR A 1 84 ? 14.226 56.696 28.130 1.00 29.85 ? 84 TYR A OH 1 -ATOM 675 N N . TYR A 1 85 ? 21.877 59.721 31.002 1.00 33.93 ? 85 TYR A N 1 -ATOM 676 C CA . TYR A 1 85 ? 22.845 60.306 31.928 1.00 36.68 ? 85 TYR A CA 1 -ATOM 677 C C . TYR A 1 85 ? 23.963 61.036 31.206 1.00 42.09 ? 85 TYR A C 1 -ATOM 678 O O . TYR A 1 85 ? 24.761 61.736 31.839 1.00 45.90 ? 85 TYR A O 1 -ATOM 679 C CB . TYR A 1 85 ? 23.445 59.223 32.829 1.00 27.02 ? 85 TYR A CB 1 -ATOM 680 C CG . TYR A 1 85 ? 22.417 58.617 33.705 1.00 17.04 ? 85 TYR A CG 1 -ATOM 681 C CD1 . TYR A 1 85 ? 22.004 59.273 34.851 1.00 17.34 ? 85 TYR A CD1 1 -ATOM 682 C CD2 . TYR A 1 85 ? 21.796 57.429 33.357 1.00 18.27 ? 85 TYR A CD2 1 -ATOM 683 C CE1 . TYR A 1 85 ? 20.992 58.780 35.632 1.00 20.89 ? 85 TYR A CE1 1 -ATOM 684 C CE2 . TYR A 1 85 ? 20.779 56.913 34.133 1.00 25.18 ? 85 TYR A CE2 1 -ATOM 685 C CZ . TYR A 1 85 ? 20.378 57.602 35.275 1.00 25.77 ? 85 TYR A CZ 1 -ATOM 686 O OH . TYR A 1 85 ? 19.348 57.131 36.061 1.00 37.50 ? 85 TYR A OH 1 -ATOM 687 N N . ASN A 1 86 ? 24.039 60.833 29.892 1.00 42.89 ? 86 ASN A N 1 -ATOM 688 C CA . ASN A 1 86 ? 25.049 61.472 29.069 1.00 41.37 ? 86 ASN A CA 1 -ATOM 689 C C . ASN A 1 86 ? 26.441 60.970 29.428 1.00 38.87 ? 86 ASN A C 1 -ATOM 690 O O . ASN A 1 86 ? 27.350 61.750 29.695 1.00 38.35 ? 86 ASN A O 1 -ATOM 691 C CB . ASN A 1 86 ? 24.966 62.980 29.260 1.00 49.53 ? 86 ASN A CB 1 -ATOM 692 C CG . ASN A 1 86 ? 25.479 63.736 28.075 1.00 61.28 ? 86 ASN A CG 1 -ATOM 693 O OD1 . ASN A 1 86 ? 24.729 64.491 27.460 1.00 71.06 ? 86 ASN A OD1 1 -ATOM 694 N ND2 . ASN A 1 86 ? 26.757 63.552 27.736 1.00 61.40 ? 86 ASN A ND2 1 -ATOM 695 N N . GLN A 1 87 ? 26.608 59.658 29.408 1.00 38.84 ? 87 GLN A N 1 -ATOM 696 C CA . GLN A 1 87 ? 27.882 59.053 29.756 1.00 42.63 ? 87 GLN A CA 1 -ATOM 697 C C . GLN A 1 87 ? 28.673 58.715 28.497 1.00 46.07 ? 87 GLN A C 1 -ATOM 698 O O . GLN A 1 87 ? 28.139 58.788 27.393 1.00 52.76 ? 87 GLN A O 1 -ATOM 699 C CB . GLN A 1 87 ? 27.622 57.831 30.639 1.00 39.68 ? 87 GLN A CB 1 -ATOM 700 C CG . GLN A 1 87 ? 26.617 58.167 31.740 1.00 44.42 ? 87 GLN A CG 1 -ATOM 701 C CD . GLN A 1 87 ? 26.571 57.173 32.870 1.00 47.96 ? 87 GLN A CD 1 -ATOM 702 O OE1 . GLN A 1 87 ? 27.452 57.150 33.729 1.00 52.31 ? 87 GLN A OE1 1 -ATOM 703 N NE2 . GLN A 1 87 ? 25.515 56.373 32.909 1.00 45.77 ? 87 GLN A NE2 1 -ATOM 704 N N . SER A 1 88 ? 29.938 58.352 28.654 1.00 49.44 ? 88 SER A N 1 -ATOM 705 C CA . SER A 1 88 ? 30.771 58.047 27.499 1.00 54.27 ? 88 SER A CA 1 -ATOM 706 C C . SER A 1 88 ? 30.431 56.755 26.803 1.00 54.61 ? 88 SER A C 1 -ATOM 707 O O . SER A 1 88 ? 29.867 55.843 27.400 1.00 58.10 ? 88 SER A O 1 -ATOM 708 C CB . SER A 1 88 ? 32.246 57.992 27.888 1.00 60.95 ? 88 SER A CB 1 -ATOM 709 O OG . SER A 1 88 ? 33.079 57.736 26.760 1.00 68.18 ? 88 SER A OG 1 -ATOM 710 N N . GLU A 1 89 ? 30.855 56.669 25.549 1.00 56.67 ? 89 GLU A N 1 -ATOM 711 C CA . GLU A 1 89 ? 30.655 55.473 24.737 1.00 60.49 ? 89 GLU A CA 1 -ATOM 712 C C . GLU A 1 89 ? 31.624 54.404 25.242 1.00 54.91 ? 89 GLU A C 1 -ATOM 713 O O . GLU A 1 89 ? 31.313 53.218 25.229 1.00 54.72 ? 89 GLU A O 1 -ATOM 714 C CB . GLU A 1 89 ? 31.000 55.739 23.256 1.00 71.92 ? 89 GLU A CB 1 -ATOM 715 C CG . GLU A 1 89 ? 30.023 56.567 22.413 1.00 82.42 ? 89 GLU A CG 1 -ATOM 716 C CD . GLU A 1 89 ? 30.101 58.072 22.650 1.00 92.71 ? 89 GLU A CD 1 -ATOM 717 O OE1 . GLU A 1 89 ? 31.227 58.615 22.781 1.00 97.04 ? 89 GLU A OE1 1 -ATOM 718 O OE2 . GLU A 1 89 ? 29.027 58.719 22.674 1.00 96.43 ? 89 GLU A OE2 1 -ATOM 719 N N . ALA A 1 90 ? 32.795 54.848 25.692 1.00 51.44 ? 90 ALA A N 1 -ATOM 720 C CA . ALA A 1 90 ? 33.863 53.963 26.151 1.00 50.03 ? 90 ALA A CA 1 -ATOM 721 C C . ALA A 1 90 ? 33.677 53.251 27.495 1.00 48.93 ? 90 ALA A C 1 -ATOM 722 O O . ALA A 1 90 ? 34.362 52.261 27.781 1.00 54.11 ? 90 ALA A O 1 -ATOM 723 C CB . ALA A 1 90 ? 35.188 54.725 26.142 1.00 42.70 ? 90 ALA A CB 1 -ATOM 724 N N . GLY A 1 91 ? 32.750 53.726 28.314 1.00 45.45 ? 91 GLY A N 1 -ATOM 725 C CA . GLY A 1 91 ? 32.572 53.114 29.612 1.00 44.78 ? 91 GLY A CA 1 -ATOM 726 C C . GLY A 1 91 ? 31.707 51.879 29.738 1.00 42.13 ? 91 GLY A C 1 -ATOM 727 O O . GLY A 1 91 ? 30.609 51.818 29.178 1.00 44.09 ? 91 GLY A O 1 -ATOM 728 N N . SER A 1 92 ? 32.187 50.911 30.518 1.00 39.21 ? 92 SER A N 1 -ATOM 729 C CA . SER A 1 92 ? 31.441 49.691 30.787 1.00 32.45 ? 92 SER A CA 1 -ATOM 730 C C . SER A 1 92 ? 30.486 50.065 31.895 1.00 29.63 ? 92 SER A C 1 -ATOM 731 O O . SER A 1 92 ? 30.859 50.743 32.856 1.00 31.60 ? 92 SER A O 1 -ATOM 732 C CB . SER A 1 92 ? 32.349 48.566 31.260 1.00 28.84 ? 92 SER A CB 1 -ATOM 733 O OG . SER A 1 92 ? 31.627 47.355 31.372 1.00 34.16 ? 92 SER A OG 1 -ATOM 734 N N . HIS A 1 93 ? 29.228 49.713 31.697 1.00 27.90 ? 93 HIS A N 1 -ATOM 735 C CA . HIS A 1 93 ? 28.189 50.005 32.663 1.00 27.54 ? 93 HIS A CA 1 -ATOM 736 C C . HIS A 1 93 ? 27.381 48.741 32.817 1.00 29.88 ? 93 HIS A C 1 -ATOM 737 O O . HIS A 1 93 ? 27.496 47.821 31.990 1.00 34.57 ? 93 HIS A O 1 -ATOM 738 C CB . HIS A 1 93 ? 27.312 51.169 32.204 1.00 29.74 ? 93 HIS A CB 1 -ATOM 739 C CG . HIS A 1 93 ? 28.038 52.479 32.149 1.00 35.45 ? 93 HIS A CG 1 -ATOM 740 N ND1 . HIS A 1 93 ? 28.875 52.827 31.111 1.00 33.59 ? 93 HIS A ND1 1 -ATOM 741 C CD2 . HIS A 1 93 ? 28.065 53.520 33.015 1.00 37.19 ? 93 HIS A CD2 1 -ATOM 742 C CE1 . HIS A 1 93 ? 29.385 54.025 31.337 1.00 38.73 ? 93 HIS A CE1 1 -ATOM 743 N NE2 . HIS A 1 93 ? 28.910 54.467 32.485 1.00 40.78 ? 93 HIS A NE2 1 -ATOM 744 N N . THR A 1 94 ? 26.578 48.697 33.875 1.00 26.91 ? 94 THR A N 1 -ATOM 745 C CA . THR A 1 94 ? 25.780 47.529 34.194 1.00 21.75 ? 94 THR A CA 1 -ATOM 746 C C . THR A 1 94 ? 24.323 47.874 34.303 1.00 20.17 ? 94 THR A C 1 -ATOM 747 O O . THR A 1 94 ? 23.963 48.982 34.687 1.00 22.42 ? 94 THR A O 1 -ATOM 748 C CB . THR A 1 94 ? 26.220 46.929 35.550 1.00 23.17 ? 94 THR A CB 1 -ATOM 749 O OG1 . THR A 1 94 ? 27.651 46.797 35.583 1.00 18.84 ? 94 THR A OG1 1 -ATOM 750 C CG2 . THR A 1 94 ? 25.573 45.564 35.774 1.00 20.31 ? 94 THR A CG2 1 -ATOM 751 N N . VAL A 1 95 ? 23.493 46.898 33.980 1.00 19.83 ? 95 VAL A N 1 -ATOM 752 C CA . VAL A 1 95 ? 22.040 47.018 34.046 1.00 25.53 ? 95 VAL A CA 1 -ATOM 753 C C . VAL A 1 95 ? 21.658 45.723 34.749 1.00 22.61 ? 95 VAL A C 1 -ATOM 754 O O . VAL A 1 95 ? 22.242 44.681 34.458 1.00 24.73 ? 95 VAL A O 1 -ATOM 755 C CB . VAL A 1 95 ? 21.398 47.072 32.597 1.00 27.69 ? 95 VAL A CB 1 -ATOM 756 C CG1 . VAL A 1 95 ? 19.985 46.556 32.611 1.00 27.72 ? 95 VAL A CG1 1 -ATOM 757 C CG2 . VAL A 1 95 ? 21.388 48.504 32.062 1.00 24.71 ? 95 VAL A CG2 1 -ATOM 758 N N . GLN A 1 96 ? 20.727 45.776 35.695 1.00 21.22 ? 96 GLN A N 1 -ATOM 759 C CA . GLN A 1 96 ? 20.335 44.558 36.401 1.00 21.70 ? 96 GLN A CA 1 -ATOM 760 C C . GLN A 1 96 ? 18.860 44.541 36.612 1.00 20.47 ? 96 GLN A C 1 -ATOM 761 O O . GLN A 1 96 ? 18.275 45.572 36.916 1.00 21.74 ? 96 GLN A O 1 -ATOM 762 C CB . GLN A 1 96 ? 21.045 44.448 37.745 1.00 27.10 ? 96 GLN A CB 1 -ATOM 763 C CG . GLN A 1 96 ? 22.535 44.341 37.588 1.00 30.99 ? 96 GLN A CG 1 -ATOM 764 C CD . GLN A 1 96 ? 23.280 44.688 38.838 1.00 32.88 ? 96 GLN A CD 1 -ATOM 765 O OE1 . GLN A 1 96 ? 23.806 45.806 38.980 1.00 33.79 ? 96 GLN A OE1 1 -ATOM 766 N NE2 . GLN A 1 96 ? 23.369 43.726 39.748 1.00 29.30 ? 96 GLN A NE2 1 -ATOM 767 N N . ARG A 1 97 ? 18.261 43.368 36.426 1.00 19.88 ? 97 ARG A N 1 -ATOM 768 C CA . ARG A 1 97 ? 16.829 43.196 36.585 1.00 20.62 ? 97 ARG A CA 1 -ATOM 769 C C . ARG A 1 97 ? 16.557 41.956 37.438 1.00 21.54 ? 97 ARG A C 1 -ATOM 770 O O . ARG A 1 97 ? 17.241 40.940 37.333 1.00 22.72 ? 97 ARG A O 1 -ATOM 771 C CB . ARG A 1 97 ? 16.156 43.049 35.212 1.00 24.00 ? 97 ARG A CB 1 -ATOM 772 C CG . ARG A 1 97 ? 14.618 42.973 35.226 1.00 25.82 ? 97 ARG A CG 1 -ATOM 773 C CD . ARG A 1 97 ? 14.067 42.567 33.852 1.00 33.30 ? 97 ARG A CD 1 -ATOM 774 N NE . ARG A 1 97 ? 14.354 43.559 32.807 1.00 41.60 ? 97 ARG A NE 1 -ATOM 775 C CZ . ARG A 1 97 ? 13.431 44.128 32.035 1.00 40.15 ? 97 ARG A CZ 1 -ATOM 776 N NH1 . ARG A 1 97 ? 12.151 43.811 32.187 1.00 38.70 ? 97 ARG A NH1 1 -ATOM 777 N NH2 . ARG A 1 97 ? 13.788 45.010 31.106 1.00 40.33 ? 97 ARG A NH2 1 -ATOM 778 N N . MET A 1 98 ? 15.536 42.047 38.273 1.00 19.05 ? 98 MET A N 1 -ATOM 779 C CA . MET A 1 98 ? 15.154 40.959 39.139 1.00 15.63 ? 98 MET A CA 1 -ATOM 780 C C . MET A 1 98 ? 13.647 41.025 39.200 1.00 12.84 ? 98 MET A C 1 -ATOM 781 O O . MET A 1 98 ? 13.066 42.113 39.222 1.00 14.66 ? 98 MET A O 1 -ATOM 782 C CB . MET A 1 98 ? 15.754 41.175 40.539 1.00 18.01 ? 98 MET A CB 1 -ATOM 783 C CG . MET A 1 98 ? 15.605 39.999 41.508 1.00 17.07 ? 98 MET A CG 1 -ATOM 784 S SD . MET A 1 98 ? 13.963 39.859 42.272 1.00 31.66 ? 98 MET A SD 1 -ATOM 785 C CE . MET A 1 98 ? 13.913 41.410 43.159 1.00 24.06 ? 98 MET A CE 1 -ATOM 786 N N . TYR A 1 99 ? 12.999 39.880 39.121 1.00 7.56 ? 99 TYR A N 1 -ATOM 787 C CA . TYR A 1 99 ? 11.566 39.874 39.232 1.00 13.92 ? 99 TYR A CA 1 -ATOM 788 C C . TYR A 1 99 ? 11.131 38.519 39.714 1.00 19.16 ? 99 TYR A C 1 -ATOM 789 O O . TYR A 1 99 ? 11.876 37.550 39.563 1.00 23.99 ? 99 TYR A O 1 -ATOM 790 C CB . TYR A 1 99 ? 10.875 40.306 37.928 1.00 19.23 ? 99 TYR A CB 1 -ATOM 791 C CG . TYR A 1 99 ? 11.056 39.437 36.692 1.00 19.30 ? 99 TYR A CG 1 -ATOM 792 C CD1 . TYR A 1 99 ? 10.392 38.217 36.570 1.00 22.32 ? 99 TYR A CD1 1 -ATOM 793 C CD2 . TYR A 1 99 ? 11.818 39.882 35.606 1.00 17.23 ? 99 TYR A CD2 1 -ATOM 794 C CE1 . TYR A 1 99 ? 10.475 37.468 35.409 1.00 22.95 ? 99 TYR A CE1 1 -ATOM 795 C CE2 . TYR A 1 99 ? 11.907 39.137 34.439 1.00 18.51 ? 99 TYR A CE2 1 -ATOM 796 C CZ . TYR A 1 99 ? 11.234 37.936 34.354 1.00 19.59 ? 99 TYR A CZ 1 -ATOM 797 O OH . TYR A 1 99 ? 11.314 37.180 33.229 1.00 18.03 ? 99 TYR A OH 1 -ATOM 798 N N . GLY A 1 100 ? 9.976 38.466 40.373 1.00 22.18 ? 100 GLY A N 1 -ATOM 799 C CA . GLY A 1 100 ? 9.490 37.204 40.884 1.00 23.87 ? 100 GLY A CA 1 -ATOM 800 C C . GLY A 1 100 ? 8.218 37.321 41.691 1.00 26.45 ? 100 GLY A C 1 -ATOM 801 O O . GLY A 1 100 ? 7.660 38.411 41.853 1.00 23.67 ? 100 GLY A O 1 -ATOM 802 N N . CYS A 1 101 ? 7.745 36.177 42.170 1.00 30.98 ? 101 CYS A N 1 -ATOM 803 C CA . CYS A 1 101 ? 6.532 36.107 42.969 1.00 34.78 ? 101 CYS A CA 1 -ATOM 804 C C . CYS A 1 101 ? 6.752 35.210 44.192 1.00 34.76 ? 101 CYS A C 1 -ATOM 805 O O . CYS A 1 101 ? 7.695 34.404 44.227 1.00 36.73 ? 101 CYS A O 1 -ATOM 806 C CB . CYS A 1 101 ? 5.360 35.595 42.125 1.00 32.70 ? 101 CYS A CB 1 -ATOM 807 S SG . CYS A 1 101 ? 5.624 33.980 41.315 1.00 42.53 ? 101 CYS A SG 1 -ATOM 808 N N . ASP A 1 102 ? 5.918 35.419 45.212 1.00 32.68 ? 102 ASP A N 1 -ATOM 809 C CA . ASP A 1 102 ? 5.949 34.673 46.470 1.00 22.88 ? 102 ASP A CA 1 -ATOM 810 C C . ASP A 1 102 ? 4.580 34.090 46.715 1.00 20.81 ? 102 ASP A C 1 -ATOM 811 O O . ASP A 1 102 ? 3.569 34.788 46.546 1.00 18.07 ? 102 ASP A O 1 -ATOM 812 C CB . ASP A 1 102 ? 6.215 35.616 47.638 1.00 25.63 ? 102 ASP A CB 1 -ATOM 813 C CG . ASP A 1 102 ? 7.613 36.141 47.658 1.00 31.24 ? 102 ASP A CG 1 -ATOM 814 O OD1 . ASP A 1 102 ? 8.458 35.582 46.951 1.00 42.39 ? 102 ASP A OD1 1 -ATOM 815 O OD2 . ASP A 1 102 ? 7.883 37.100 48.400 1.00 27.97 ? 102 ASP A OD2 1 -ATOM 816 N N . VAL A 1 103 ? 4.534 32.821 47.088 1.00 20.54 ? 103 VAL A N 1 -ATOM 817 C CA . VAL A 1 103 ? 3.264 32.199 47.412 1.00 28.30 ? 103 VAL A CA 1 -ATOM 818 C C . VAL A 1 103 ? 3.323 31.853 48.895 1.00 34.81 ? 103 VAL A C 1 -ATOM 819 O O . VAL A 1 103 ? 4.405 31.664 49.458 1.00 33.39 ? 103 VAL A O 1 -ATOM 820 C CB . VAL A 1 103 ? 2.947 30.934 46.561 1.00 29.91 ? 103 VAL A CB 1 -ATOM 821 C CG1 . VAL A 1 103 ? 2.667 31.326 45.137 1.00 35.45 ? 103 VAL A CG1 1 -ATOM 822 C CG2 . VAL A 1 103 ? 4.066 29.923 46.625 1.00 27.69 ? 103 VAL A CG2 1 -ATOM 823 N N . GLY A 1 104 ? 2.175 31.904 49.553 1.00 43.12 ? 104 GLY A N 1 -ATOM 824 C CA . GLY A 1 104 ? 2.131 31.574 50.963 1.00 45.30 ? 104 GLY A CA 1 -ATOM 825 C C . GLY A 1 104 ? 2.147 30.069 51.139 1.00 45.14 ? 104 GLY A C 1 -ATOM 826 O O . GLY A 1 104 ? 2.386 29.321 50.189 1.00 40.19 ? 104 GLY A O 1 -ATOM 827 N N . SER A 1 105 ? 1.854 29.620 52.351 1.00 44.84 ? 105 SER A N 1 -ATOM 828 C CA . SER A 1 105 ? 1.834 28.199 52.631 1.00 47.76 ? 105 SER A CA 1 -ATOM 829 C C . SER A 1 105 ? 0.671 27.539 51.897 1.00 47.89 ? 105 SER A C 1 -ATOM 830 O O . SER A 1 105 ? 0.718 26.344 51.586 1.00 50.99 ? 105 SER A O 1 -ATOM 831 C CB . SER A 1 105 ? 1.759 27.970 54.135 1.00 51.44 ? 105 SER A CB 1 -ATOM 832 O OG . SER A 1 105 ? 2.933 28.478 54.759 1.00 60.54 ? 105 SER A OG 1 -ATOM 833 N N . ASP A 1 106 ? -0.359 28.335 51.612 1.00 45.29 ? 106 ASP A N 1 -ATOM 834 C CA . ASP A 1 106 ? -1.532 27.869 50.878 1.00 45.43 ? 106 ASP A CA 1 -ATOM 835 C C . ASP A 1 106 ? -1.187 27.848 49.391 1.00 50.52 ? 106 ASP A C 1 -ATOM 836 O O . ASP A 1 106 ? -2.049 27.584 48.552 1.00 54.71 ? 106 ASP A O 1 -ATOM 837 C CB . ASP A 1 106 ? -2.725 28.799 51.120 1.00 43.44 ? 106 ASP A CB 1 -ATOM 838 C CG . ASP A 1 106 ? -2.428 30.260 50.762 1.00 46.76 ? 106 ASP A CG 1 -ATOM 839 O OD1 . ASP A 1 106 ? -1.255 30.632 50.545 1.00 44.05 ? 106 ASP A OD1 1 -ATOM 840 O OD2 . ASP A 1 106 ? -3.388 31.058 50.706 1.00 51.33 ? 106 ASP A OD2 1 -ATOM 841 N N . TRP A 1 107 ? 0.069 28.193 49.089 1.00 49.02 ? 107 TRP A N 1 -ATOM 842 C CA . TRP A 1 107 ? 0.612 28.233 47.735 1.00 44.37 ? 107 TRP A CA 1 -ATOM 843 C C . TRP A 1 107 ? -0.055 29.243 46.811 1.00 44.94 ? 107 TRP A C 1 -ATOM 844 O O . TRP A 1 107 ? 0.084 29.161 45.594 1.00 43.16 ? 107 TRP A O 1 -ATOM 845 C CB . TRP A 1 107 ? 0.588 26.844 47.109 1.00 43.86 ? 107 TRP A CB 1 -ATOM 846 C CG . TRP A 1 107 ? 1.728 25.963 47.516 1.00 41.56 ? 107 TRP A CG 1 -ATOM 847 C CD1 . TRP A 1 107 ? 2.629 26.188 48.515 1.00 42.34 ? 107 TRP A CD1 1 -ATOM 848 C CD2 . TRP A 1 107 ? 2.098 24.716 46.912 1.00 40.70 ? 107 TRP A CD2 1 -ATOM 849 N NE1 . TRP A 1 107 ? 3.537 25.157 48.573 1.00 41.75 ? 107 TRP A NE1 1 -ATOM 850 C CE2 . TRP A 1 107 ? 3.235 24.240 47.601 1.00 39.61 ? 107 TRP A CE2 1 -ATOM 851 C CE3 . TRP A 1 107 ? 1.575 23.954 45.855 1.00 41.16 ? 107 TRP A CE3 1 -ATOM 852 C CZ2 . TRP A 1 107 ? 3.862 23.033 47.269 1.00 42.43 ? 107 TRP A CZ2 1 -ATOM 853 C CZ3 . TRP A 1 107 ? 2.199 22.749 45.523 1.00 40.05 ? 107 TRP A CZ3 1 -ATOM 854 C CH2 . TRP A 1 107 ? 3.331 22.303 46.229 1.00 44.51 ? 107 TRP A CH2 1 -ATOM 855 N N . ARG A 1 108 ? -0.758 30.205 47.403 1.00 46.98 ? 108 ARG A N 1 -ATOM 856 C CA . ARG A 1 108 ? -1.444 31.244 46.647 1.00 44.56 ? 108 ARG A CA 1 -ATOM 857 C C . ARG A 1 108 ? -0.669 32.550 46.663 1.00 39.92 ? 108 ARG A C 1 -ATOM 858 O O . ARG A 1 108 ? 0.148 32.804 47.562 1.00 34.81 ? 108 ARG A O 1 -ATOM 859 C CB . ARG A 1 108 ? -2.860 31.463 47.180 1.00 51.81 ? 108 ARG A CB 1 -ATOM 860 C CG . ARG A 1 108 ? -3.792 30.285 46.976 1.00 59.15 ? 108 ARG A CG 1 -ATOM 861 C CD . ARG A 1 108 ? -5.156 30.592 47.531 1.00 70.21 ? 108 ARG A CD 1 -ATOM 862 N NE . ARG A 1 108 ? -6.053 29.454 47.413 1.00 84.64 ? 108 ARG A NE 1 -ATOM 863 C CZ . ARG A 1 108 ? -7.337 29.481 47.754 1.00 94.89 ? 108 ARG A CZ 1 -ATOM 864 N NH1 . ARG A 1 108 ? -7.877 30.595 48.239 1.00 100.00 ? 108 ARG A NH1 1 -ATOM 865 N NH2 . ARG A 1 108 ? -8.089 28.393 47.605 1.00 100.00 ? 108 ARG A NH2 1 -ATOM 866 N N . PHE A 1 109 ? -0.959 33.385 45.671 1.00 35.77 ? 109 PHE A N 1 -ATOM 867 C CA . PHE A 1 109 ? -0.293 34.664 45.513 1.00 33.27 ? 109 PHE A CA 1 -ATOM 868 C C . PHE A 1 109 ? -0.106 35.414 46.836 1.00 35.22 ? 109 PHE A C 1 -ATOM 869 O O . PHE A 1 109 ? -0.949 35.350 47.734 1.00 37.48 ? 109 PHE A O 1 -ATOM 870 C CB . PHE A 1 109 ? -1.036 35.538 44.487 1.00 24.18 ? 109 PHE A CB 1 -ATOM 871 C CG . PHE A 1 109 ? -0.310 36.805 44.151 1.00 16.27 ? 109 PHE A CG 1 -ATOM 872 C CD1 . PHE A 1 109 ? 0.940 36.752 43.558 1.00 13.45 ? 109 PHE A CD1 1 -ATOM 873 C CD2 . PHE A 1 109 ? -0.825 38.032 44.516 1.00 13.64 ? 109 PHE A CD2 1 -ATOM 874 C CE1 . PHE A 1 109 ? 1.678 37.900 43.337 1.00 19.65 ? 109 PHE A CE1 1 -ATOM 875 C CE2 . PHE A 1 109 ? -0.096 39.187 44.303 1.00 22.40 ? 109 PHE A CE2 1 -ATOM 876 C CZ . PHE A 1 109 ? 1.167 39.121 43.710 1.00 18.83 ? 109 PHE A CZ 1 -ATOM 877 N N . LEU A 1 110 ? 1.011 36.116 46.946 1.00 31.51 ? 110 LEU A N 1 -ATOM 878 C CA . LEU A 1 110 ? 1.302 36.862 48.139 1.00 29.72 ? 110 LEU A CA 1 -ATOM 879 C C . LEU A 1 110 ? 1.881 38.210 47.737 1.00 32.71 ? 110 LEU A C 1 -ATOM 880 O O . LEU A 1 110 ? 1.304 39.239 48.050 1.00 39.10 ? 110 LEU A O 1 -ATOM 881 C CB . LEU A 1 110 ? 2.293 36.071 48.984 1.00 38.70 ? 110 LEU A CB 1 -ATOM 882 C CG . LEU A 1 110 ? 2.328 36.221 50.504 1.00 37.34 ? 110 LEU A CG 1 -ATOM 883 C CD1 . LEU A 1 110 ? 0.978 35.875 51.103 1.00 32.34 ? 110 LEU A CD1 1 -ATOM 884 C CD2 . LEU A 1 110 ? 3.406 35.306 51.050 1.00 37.54 ? 110 LEU A CD2 1 -ATOM 885 N N . ARG A 1 111 ? 3.007 38.216 47.026 1.00 33.40 ? 111 ARG A N 1 -ATOM 886 C CA . ARG A 1 111 ? 3.631 39.474 46.595 1.00 35.79 ? 111 ARG A CA 1 -ATOM 887 C C . ARG A 1 111 ? 4.314 39.275 45.252 1.00 37.63 ? 111 ARG A C 1 -ATOM 888 O O . ARG A 1 111 ? 4.792 38.176 44.953 1.00 37.28 ? 111 ARG A O 1 -ATOM 889 C CB . ARG A 1 111 ? 4.699 39.953 47.588 1.00 42.79 ? 111 ARG A CB 1 -ATOM 890 C CG . ARG A 1 111 ? 4.231 40.230 49.004 1.00 53.69 ? 111 ARG A CG 1 -ATOM 891 C CD . ARG A 1 111 ? 5.422 40.427 49.934 1.00 59.68 ? 111 ARG A CD 1 -ATOM 892 N NE . ARG A 1 111 ? 5.232 39.736 51.208 1.00 67.44 ? 111 ARG A NE 1 -ATOM 893 C CZ . ARG A 1 111 ? 5.387 38.425 51.392 1.00 69.37 ? 111 ARG A CZ 1 -ATOM 894 N NH1 . ARG A 1 111 ? 5.744 37.626 50.392 1.00 67.66 ? 111 ARG A NH1 1 -ATOM 895 N NH2 . ARG A 1 111 ? 5.176 37.903 52.590 1.00 77.27 ? 111 ARG A NH2 1 -ATOM 896 N N . GLY A 1 112 ? 4.363 40.349 44.463 1.00 37.49 ? 112 GLY A N 1 -ATOM 897 C CA . GLY A 1 112 ? 5.001 40.328 43.160 1.00 32.09 ? 112 GLY A CA 1 -ATOM 898 C C . GLY A 1 112 ? 6.103 41.361 43.201 1.00 31.07 ? 112 GLY A C 1 -ATOM 899 O O . GLY A 1 112 ? 5.949 42.366 43.889 1.00 33.59 ? 112 GLY A O 1 -ATOM 900 N N . TYR A 1 113 ? 7.214 41.112 42.504 1.00 34.05 ? 113 TYR A N 1 -ATOM 901 C CA . TYR A 1 113 ? 8.357 42.027 42.478 1.00 34.36 ? 113 TYR A CA 1 -ATOM 902 C C . TYR A 1 113 ? 8.838 42.256 41.050 1.00 31.72 ? 113 TYR A C 1 -ATOM 903 O O . TYR A 1 113 ? 8.583 41.439 40.164 1.00 34.49 ? 113 TYR A O 1 -ATOM 904 C CB . TYR A 1 113 ? 9.543 41.431 43.256 1.00 44.97 ? 113 TYR A CB 1 -ATOM 905 C CG . TYR A 1 113 ? 9.218 40.950 44.643 1.00 60.98 ? 113 TYR A CG 1 -ATOM 906 C CD1 . TYR A 1 113 ? 8.387 39.845 44.841 1.00 66.09 ? 113 TYR A CD1 1 -ATOM 907 C CD2 . TYR A 1 113 ? 9.712 41.616 45.766 1.00 72.43 ? 113 TYR A CD2 1 -ATOM 908 C CE1 . TYR A 1 113 ? 8.036 39.419 46.128 1.00 75.04 ? 113 TYR A CE1 1 -ATOM 909 C CE2 . TYR A 1 113 ? 9.375 41.200 47.065 1.00 80.46 ? 113 TYR A CE2 1 -ATOM 910 C CZ . TYR A 1 113 ? 8.538 40.102 47.241 1.00 81.22 ? 113 TYR A CZ 1 -ATOM 911 O OH . TYR A 1 113 ? 8.190 39.710 48.518 1.00 80.05 ? 113 TYR A OH 1 -ATOM 912 N N . HIS A 1 114 ? 9.568 43.354 40.856 1.00 29.01 ? 114 HIS A N 1 -ATOM 913 C CA . HIS A 1 114 ? 10.188 43.726 39.579 1.00 28.66 ? 114 HIS A CA 1 -ATOM 914 C C . HIS A 1 114 ? 11.023 44.962 39.818 1.00 22.15 ? 114 HIS A C 1 -ATOM 915 O O . HIS A 1 114 ? 10.472 46.044 39.997 1.00 25.85 ? 114 HIS A O 1 -ATOM 916 C CB . HIS A 1 114 ? 9.190 44.027 38.450 1.00 34.14 ? 114 HIS A CB 1 -ATOM 917 C CG . HIS A 1 114 ? 9.861 44.416 37.162 1.00 36.15 ? 114 HIS A CG 1 -ATOM 918 N ND1 . HIS A 1 114 ? 10.357 43.491 36.270 1.00 39.35 ? 114 HIS A ND1 1 -ATOM 919 C CD2 . HIS A 1 114 ? 10.212 45.633 36.667 1.00 37.09 ? 114 HIS A CD2 1 -ATOM 920 C CE1 . HIS A 1 114 ? 10.992 44.111 35.288 1.00 35.56 ? 114 HIS A CE1 1 -ATOM 921 N NE2 . HIS A 1 114 ? 10.917 45.411 35.510 1.00 37.22 ? 114 HIS A NE2 1 -ATOM 922 N N . GLN A 1 115 ? 12.343 44.817 39.765 1.00 17.91 ? 115 GLN A N 1 -ATOM 923 C CA . GLN A 1 115 ? 13.223 45.940 40.019 1.00 13.46 ? 115 GLN A CA 1 -ATOM 924 C C . GLN A 1 115 ? 14.289 45.983 38.995 1.00 14.89 ? 115 GLN A C 1 -ATOM 925 O O . GLN A 1 115 ? 14.867 44.964 38.666 1.00 21.64 ? 115 GLN A O 1 -ATOM 926 C CB . GLN A 1 115 ? 13.905 45.795 41.380 1.00 26.85 ? 115 GLN A CB 1 -ATOM 927 C CG . GLN A 1 115 ? 13.039 45.174 42.469 1.00 33.59 ? 115 GLN A CG 1 -ATOM 928 C CD . GLN A 1 115 ? 13.515 45.524 43.856 1.00 41.22 ? 115 GLN A CD 1 -ATOM 929 O OE1 . GLN A 1 115 ? 12.806 46.194 44.610 1.00 45.08 ? 115 GLN A OE1 1 -ATOM 930 N NE2 . GLN A 1 115 ? 14.734 45.102 44.193 1.00 41.04 ? 115 GLN A NE2 1 -ATOM 931 N N . TYR A 1 116 ? 14.614 47.192 38.578 1.00 17.30 ? 116 TYR A N 1 -ATOM 932 C CA . TYR A 1 116 ? 15.614 47.441 37.569 1.00 12.54 ? 116 TYR A CA 1 -ATOM 933 C C . TYR A 1 116 ? 16.621 48.319 38.251 1.00 11.92 ? 116 TYR A C 1 -ATOM 934 O O . TYR A 1 116 ? 16.240 49.206 39.009 1.00 23.23 ? 116 TYR A O 1 -ATOM 935 C CB . TYR A 1 116 ? 14.959 48.224 36.428 1.00 17.47 ? 116 TYR A CB 1 -ATOM 936 C CG . TYR A 1 116 ? 15.658 48.119 35.094 1.00 25.37 ? 116 TYR A CG 1 -ATOM 937 C CD1 . TYR A 1 116 ? 15.431 47.021 34.254 1.00 26.69 ? 116 TYR A CD1 1 -ATOM 938 C CD2 . TYR A 1 116 ? 16.556 49.103 34.669 1.00 26.52 ? 116 TYR A CD2 1 -ATOM 939 C CE1 . TYR A 1 116 ? 16.083 46.905 33.037 1.00 29.49 ? 116 TYR A CE1 1 -ATOM 940 C CE2 . TYR A 1 116 ? 17.209 48.994 33.450 1.00 30.83 ? 116 TYR A CE2 1 -ATOM 941 C CZ . TYR A 1 116 ? 16.968 47.891 32.647 1.00 29.77 ? 116 TYR A CZ 1 -ATOM 942 O OH . TYR A 1 116 ? 17.633 47.754 31.460 1.00 39.02 ? 116 TYR A OH 1 -ATOM 943 N N . ALA A 1 117 ? 17.893 48.108 37.962 1.00 12.33 ? 117 ALA A N 1 -ATOM 944 C CA . ALA A 1 117 ? 18.959 48.905 38.547 1.00 15.89 ? 117 ALA A CA 1 -ATOM 945 C C . ALA A 1 117 ? 20.031 49.134 37.518 1.00 22.97 ? 117 ALA A C 1 -ATOM 946 O O . ALA A 1 117 ? 20.437 48.196 36.827 1.00 31.48 ? 117 ALA A O 1 -ATOM 947 C CB . ALA A 1 117 ? 19.556 48.198 39.729 1.00 23.45 ? 117 ALA A CB 1 -ATOM 948 N N . TYR A 1 118 ? 20.524 50.365 37.450 1.00 22.86 ? 118 TYR A N 1 -ATOM 949 C CA . TYR A 1 118 ? 21.566 50.727 36.502 1.00 22.98 ? 118 TYR A CA 1 -ATOM 950 C C . TYR A 1 118 ? 22.782 51.189 37.270 1.00 21.92 ? 118 TYR A C 1 -ATOM 951 O O . TYR A 1 118 ? 22.712 52.151 38.023 1.00 26.24 ? 118 TYR A O 1 -ATOM 952 C CB . TYR A 1 118 ? 21.071 51.841 35.566 1.00 23.67 ? 118 TYR A CB 1 -ATOM 953 C CG . TYR A 1 118 ? 22.118 52.398 34.620 1.00 18.47 ? 118 TYR A CG 1 -ATOM 954 C CD1 . TYR A 1 118 ? 22.889 51.556 33.826 1.00 18.66 ? 118 TYR A CD1 1 -ATOM 955 C CD2 . TYR A 1 118 ? 22.340 53.766 34.532 1.00 12.65 ? 118 TYR A CD2 1 -ATOM 956 C CE1 . TYR A 1 118 ? 23.858 52.061 32.975 1.00 21.26 ? 118 TYR A CE1 1 -ATOM 957 C CE2 . TYR A 1 118 ? 23.301 54.283 33.678 1.00 12.56 ? 118 TYR A CE2 1 -ATOM 958 C CZ . TYR A 1 118 ? 24.058 53.430 32.895 1.00 19.39 ? 118 TYR A CZ 1 -ATOM 959 O OH . TYR A 1 118 ? 24.976 53.941 31.981 1.00 25.99 ? 118 TYR A OH 1 -ATOM 960 N N . ASP A 1 119 ? 23.892 50.491 37.059 1.00 31.62 ? 119 ASP A N 1 -ATOM 961 C CA . ASP A 1 119 ? 25.177 50.776 37.708 1.00 35.96 ? 119 ASP A CA 1 -ATOM 962 C C . ASP A 1 119 ? 25.220 50.490 39.222 1.00 38.28 ? 119 ASP A C 1 -ATOM 963 O O . ASP A 1 119 ? 25.992 51.111 39.962 1.00 42.76 ? 119 ASP A O 1 -ATOM 964 C CB . ASP A 1 119 ? 25.639 52.219 37.412 1.00 38.76 ? 119 ASP A CB 1 -ATOM 965 C CG . ASP A 1 119 ? 26.421 52.347 36.093 1.00 42.17 ? 119 ASP A CG 1 -ATOM 966 O OD1 . ASP A 1 119 ? 26.719 51.308 35.467 1.00 45.50 ? 119 ASP A OD1 1 -ATOM 967 O OD2 . ASP A 1 119 ? 26.762 53.490 35.694 1.00 32.26 ? 119 ASP A OD2 1 -ATOM 968 N N . GLY A 1 120 ? 24.431 49.513 39.664 1.00 38.19 ? 120 GLY A N 1 -ATOM 969 C CA . GLY A 1 120 ? 24.399 49.153 41.074 1.00 40.48 ? 120 GLY A CA 1 -ATOM 970 C C . GLY A 1 120 ? 23.427 49.927 41.947 1.00 39.54 ? 120 GLY A C 1 -ATOM 971 O O . GLY A 1 120 ? 23.252 49.607 43.121 1.00 44.56 ? 120 GLY A O 1 -ATOM 972 N N . LYS A 1 121 ? 22.762 50.916 41.364 1.00 40.43 ? 121 LYS A N 1 -ATOM 973 C CA . LYS A 1 121 ? 21.822 51.750 42.095 1.00 36.13 ? 121 LYS A CA 1 -ATOM 974 C C . LYS A 1 121 ? 20.422 51.572 41.546 1.00 31.65 ? 121 LYS A C 1 -ATOM 975 O O . LYS A 1 121 ? 20.244 51.316 40.366 1.00 36.08 ? 121 LYS A O 1 -ATOM 976 C CB . LYS A 1 121 ? 22.260 53.218 41.990 1.00 42.51 ? 121 LYS A CB 1 -ATOM 977 C CG . LYS A 1 121 ? 21.301 54.213 42.608 1.00 50.14 ? 121 LYS A CG 1 -ATOM 978 C CD . LYS A 1 121 ? 21.733 55.645 42.365 1.00 52.45 ? 121 LYS A CD 1 -ATOM 979 C CE . LYS A 1 121 ? 20.578 56.577 42.667 1.00 55.73 ? 121 LYS A CE 1 -ATOM 980 N NZ . LYS A 1 121 ? 20.847 57.945 42.156 1.00 62.81 ? 121 LYS A NZ 1 -ATOM 981 N N . ASP A 1 122 ? 19.432 51.691 42.420 1.00 35.27 ? 122 ASP A N 1 -ATOM 982 C CA . ASP A 1 122 ? 18.041 51.552 42.033 1.00 32.85 ? 122 ASP A CA 1 -ATOM 983 C C . ASP A 1 122 ? 17.745 52.496 40.888 1.00 31.75 ? 122 ASP A C 1 -ATOM 984 O O . ASP A 1 122 ? 18.289 53.595 40.825 1.00 32.14 ? 122 ASP A O 1 -ATOM 985 C CB . ASP A 1 122 ? 17.122 51.884 43.210 1.00 40.03 ? 122 ASP A CB 1 -ATOM 986 C CG . ASP A 1 122 ? 17.153 50.830 44.305 1.00 42.28 ? 122 ASP A CG 1 -ATOM 987 O OD1 . ASP A 1 122 ? 17.167 49.624 43.990 1.00 44.75 ? 122 ASP A OD1 1 -ATOM 988 O OD2 . ASP A 1 122 ? 17.132 51.214 45.491 1.00 49.41 ? 122 ASP A OD2 1 -ATOM 989 N N . TYR A 1 123 ? 16.899 52.052 39.967 1.00 32.44 ? 123 TYR A N 1 -ATOM 990 C CA . TYR A 1 123 ? 16.538 52.866 38.812 1.00 29.95 ? 123 TYR A CA 1 -ATOM 991 C C . TYR A 1 123 ? 15.033 52.994 38.769 1.00 29.63 ? 123 TYR A C 1 -ATOM 992 O O . TYR A 1 123 ? 14.498 54.101 38.742 1.00 34.22 ? 123 TYR A O 1 -ATOM 993 C CB . TYR A 1 123 ? 17.052 52.239 37.513 1.00 29.73 ? 123 TYR A CB 1 -ATOM 994 C CG . TYR A 1 123 ? 16.766 53.084 36.299 1.00 32.44 ? 123 TYR A CG 1 -ATOM 995 C CD1 . TYR A 1 123 ? 17.461 54.266 36.080 1.00 32.34 ? 123 TYR A CD1 1 -ATOM 996 C CD2 . TYR A 1 123 ? 15.768 52.726 35.390 1.00 30.68 ? 123 TYR A CD2 1 -ATOM 997 C CE1 . TYR A 1 123 ? 17.171 55.066 34.998 1.00 31.05 ? 123 TYR A CE1 1 -ATOM 998 C CE2 . TYR A 1 123 ? 15.473 53.523 34.308 1.00 21.48 ? 123 TYR A CE2 1 -ATOM 999 C CZ . TYR A 1 123 ? 16.179 54.690 34.115 1.00 29.98 ? 123 TYR A CZ 1 -ATOM 1000 O OH . TYR A 1 123 ? 15.929 55.491 33.024 1.00 38.15 ? 123 TYR A OH 1 -ATOM 1001 N N . ILE A 1 124 ? 14.348 51.864 38.709 1.00 26.29 ? 124 ILE A N 1 -ATOM 1002 C CA . ILE A 1 124 ? 12.897 51.883 38.709 1.00 27.93 ? 124 ILE A CA 1 -ATOM 1003 C C . ILE A 1 124 ? 12.400 50.532 39.203 1.00 33.20 ? 124 ILE A C 1 -ATOM 1004 O O . ILE A 1 124 ? 13.028 49.493 38.945 1.00 38.56 ? 124 ILE A O 1 -ATOM 1005 C CB . ILE A 1 124 ? 12.282 52.241 37.315 1.00 27.01 ? 124 ILE A CB 1 -ATOM 1006 C CG1 . ILE A 1 124 ? 10.767 52.453 37.464 1.00 27.17 ? 124 ILE A CG1 1 -ATOM 1007 C CG2 . ILE A 1 124 ? 12.549 51.122 36.308 1.00 28.49 ? 124 ILE A CG2 1 -ATOM 1008 C CD1 . ILE A 1 124 ? 10.058 53.026 36.272 1.00 26.86 ? 124 ILE A CD1 1 -ATOM 1009 N N . ALA A 1 125 ? 11.306 50.563 39.958 1.00 31.57 ? 125 ALA A N 1 -ATOM 1010 C CA . ALA A 1 125 ? 10.707 49.363 40.517 1.00 28.82 ? 125 ALA A CA 1 -ATOM 1011 C C . ALA A 1 125 ? 9.197 49.509 40.537 1.00 29.54 ? 125 ALA A C 1 -ATOM 1012 O O . ALA A 1 125 ? 8.672 50.619 40.639 1.00 29.14 ? 125 ALA A O 1 -ATOM 1013 C CB . ALA A 1 125 ? 11.228 49.128 41.915 1.00 28.12 ? 125 ALA A CB 1 -ATOM 1014 N N . LEU A 1 126 ? 8.510 48.384 40.406 1.00 29.94 ? 126 LEU A N 1 -ATOM 1015 C CA . LEU A 1 126 ? 7.052 48.343 40.404 1.00 37.76 ? 126 LEU A CA 1 -ATOM 1016 C C . LEU A 1 126 ? 6.574 48.334 41.860 1.00 40.83 ? 126 LEU A C 1 -ATOM 1017 O O . LEU A 1 126 ? 7.048 47.517 42.648 1.00 46.72 ? 126 LEU A O 1 -ATOM 1018 C CB . LEU A 1 126 ? 6.581 47.057 39.692 1.00 31.66 ? 126 LEU A CB 1 -ATOM 1019 C CG . LEU A 1 126 ? 5.095 46.750 39.455 1.00 28.39 ? 126 LEU A CG 1 -ATOM 1020 C CD1 . LEU A 1 126 ? 4.503 47.781 38.497 1.00 15.22 ? 126 LEU A CD1 1 -ATOM 1021 C CD2 . LEU A 1 126 ? 4.934 45.324 38.902 1.00 19.68 ? 126 LEU A CD2 1 -ATOM 1022 N N . LYS A 1 127 ? 5.676 49.248 42.228 1.00 41.69 ? 127 LYS A N 1 -ATOM 1023 C CA . LYS A 1 127 ? 5.163 49.285 43.596 1.00 41.32 ? 127 LYS A CA 1 -ATOM 1024 C C . LYS A 1 127 ? 4.366 48.033 43.922 1.00 44.80 ? 127 LYS A C 1 -ATOM 1025 O O . LYS A 1 127 ? 3.738 47.435 43.047 1.00 42.21 ? 127 LYS A O 1 -ATOM 1026 C CB . LYS A 1 127 ? 4.295 50.514 43.838 1.00 39.61 ? 127 LYS A CB 1 -ATOM 1027 C CG . LYS A 1 127 ? 5.082 51.794 44.004 1.00 40.53 ? 127 LYS A CG 1 -ATOM 1028 C CD . LYS A 1 127 ? 4.176 52.954 44.380 1.00 43.19 ? 127 LYS A CD 1 -ATOM 1029 C CE . LYS A 1 127 ? 4.971 54.239 44.514 1.00 50.62 ? 127 LYS A CE 1 -ATOM 1030 N NZ . LYS A 1 127 ? 4.119 55.376 44.951 1.00 56.97 ? 127 LYS A NZ 1 -ATOM 1031 N N . GLU A 1 128 ? 4.343 47.692 45.206 1.00 50.56 ? 128 GLU A N 1 -ATOM 1032 C CA . GLU A 1 128 ? 3.652 46.508 45.733 1.00 52.58 ? 128 GLU A CA 1 -ATOM 1033 C C . GLU A 1 128 ? 2.247 46.207 45.181 1.00 49.26 ? 128 GLU A C 1 -ATOM 1034 O O . GLU A 1 128 ? 1.817 45.052 45.171 1.00 44.22 ? 128 GLU A O 1 -ATOM 1035 C CB . GLU A 1 128 ? 3.604 46.606 47.263 1.00 59.83 ? 128 GLU A CB 1 -ATOM 1036 C CG . GLU A 1 128 ? 3.065 45.364 47.966 1.00 74.98 ? 128 GLU A CG 1 -ATOM 1037 C CD . GLU A 1 128 ? 3.246 45.404 49.481 1.00 82.57 ? 128 GLU A CD 1 -ATOM 1038 O OE1 . GLU A 1 128 ? 3.106 46.495 50.085 1.00 89.62 ? 128 GLU A OE1 1 -ATOM 1039 O OE2 . GLU A 1 128 ? 3.524 44.331 50.065 1.00 86.09 ? 128 GLU A OE2 1 -ATOM 1040 N N . ASP A 1 129 ? 1.531 47.246 44.751 1.00 48.72 ? 129 ASP A N 1 -ATOM 1041 C CA . ASP A 1 129 ? 0.172 47.102 44.206 1.00 49.14 ? 129 ASP A CA 1 -ATOM 1042 C C . ASP A 1 129 ? 0.185 46.591 42.762 1.00 49.73 ? 129 ASP A C 1 -ATOM 1043 O O . ASP A 1 129 ? -0.869 46.336 42.164 1.00 47.39 ? 129 ASP A O 1 -ATOM 1044 C CB . ASP A 1 129 ? -0.589 48.442 44.283 1.00 47.08 ? 129 ASP A CB 1 -ATOM 1045 C CG . ASP A 1 129 ? -0.094 49.489 43.261 1.00 49.63 ? 129 ASP A CG 1 -ATOM 1046 O OD1 . ASP A 1 129 ? 1.068 49.425 42.784 1.00 51.48 ? 129 ASP A OD1 1 -ATOM 1047 O OD2 . ASP A 1 129 ? -0.889 50.398 42.940 1.00 46.95 ? 129 ASP A OD2 1 -ATOM 1048 N N . LEU A 1 130 ? 1.394 46.497 42.207 1.00 44.33 ? 130 LEU A N 1 -ATOM 1049 C CA . LEU A 1 130 ? 1.616 46.030 40.849 1.00 39.16 ? 130 LEU A CA 1 -ATOM 1050 C C . LEU A 1 130 ? 0.835 46.862 39.832 1.00 38.62 ? 130 LEU A C 1 -ATOM 1051 O O . LEU A 1 130 ? 0.269 46.309 38.887 1.00 37.77 ? 130 LEU A O 1 -ATOM 1052 C CB . LEU A 1 130 ? 1.243 44.544 40.725 1.00 32.19 ? 130 LEU A CB 1 -ATOM 1053 C CG . LEU A 1 130 ? 1.799 43.539 41.750 1.00 29.94 ? 130 LEU A CG 1 -ATOM 1054 C CD1 . LEU A 1 130 ? 1.407 42.110 41.341 1.00 22.08 ? 130 LEU A CD1 1 -ATOM 1055 C CD2 . LEU A 1 130 ? 3.316 43.675 41.907 1.00 27.03 ? 130 LEU A CD2 1 -ATOM 1056 N N . ARG A 1 131 ? 0.783 48.180 40.047 1.00 36.32 ? 131 ARG A N 1 -ATOM 1057 C CA . ARG A 1 131 ? 0.081 49.089 39.134 1.00 33.61 ? 131 ARG A CA 1 -ATOM 1058 C C . ARG A 1 131 ? 0.851 50.374 38.861 1.00 33.76 ? 131 ARG A C 1 -ATOM 1059 O O . ARG A 1 131 ? 0.610 51.045 37.858 1.00 35.76 ? 131 ARG A O 1 -ATOM 1060 C CB . ARG A 1 131 ? -1.282 49.483 39.679 1.00 36.62 ? 131 ARG A CB 1 -ATOM 1061 C CG . ARG A 1 131 ? -2.268 48.378 39.844 1.00 39.17 ? 131 ARG A CG 1 -ATOM 1062 C CD . ARG A 1 131 ? -3.478 48.934 40.550 1.00 55.43 ? 131 ARG A CD 1 -ATOM 1063 N NE . ARG A 1 131 ? -4.398 47.871 40.904 1.00 72.42 ? 131 ARG A NE 1 -ATOM 1064 C CZ . ARG A 1 131 ? -5.701 48.032 41.115 1.00 86.59 ? 131 ARG A CZ 1 -ATOM 1065 N NH1 . ARG A 1 131 ? -6.262 49.238 41.033 1.00 93.18 ? 131 ARG A NH1 1 -ATOM 1066 N NH2 . ARG A 1 131 ? -6.461 46.964 41.334 1.00 92.68 ? 131 ARG A NH2 1 -ATOM 1067 N N . SER A 1 132 ? 1.744 50.745 39.766 1.00 33.78 ? 132 SER A N 1 -ATOM 1068 C CA . SER A 1 132 ? 2.512 51.972 39.584 1.00 37.17 ? 132 SER A CA 1 -ATOM 1069 C C . SER A 1 132 ? 4.021 51.738 39.718 1.00 34.75 ? 132 SER A C 1 -ATOM 1070 O O . SER A 1 132 ? 4.452 50.625 40.071 1.00 27.41 ? 132 SER A O 1 -ATOM 1071 C CB . SER A 1 132 ? 2.027 53.059 40.557 1.00 39.79 ? 132 SER A CB 1 -ATOM 1072 O OG . SER A 1 132 ? 1.188 52.516 41.567 1.00 41.74 ? 132 SER A OG 1 -ATOM 1073 N N . TRP A 1 133 ? 4.797 52.802 39.481 1.00 30.60 ? 133 TRP A N 1 -ATOM 1074 C CA . TRP A 1 133 ? 6.255 52.751 39.524 1.00 31.40 ? 133 TRP A CA 1 -ATOM 1075 C C . TRP A 1 133 ? 6.922 53.768 40.443 1.00 37.00 ? 133 TRP A C 1 -ATOM 1076 O O . TRP A 1 133 ? 6.417 54.864 40.668 1.00 41.01 ? 133 TRP A O 1 -ATOM 1077 C CB . TRP A 1 133 ? 6.820 52.934 38.115 1.00 27.71 ? 133 TRP A CB 1 -ATOM 1078 C CG . TRP A 1 133 ? 6.226 51.986 37.153 1.00 30.97 ? 133 TRP A CG 1 -ATOM 1079 C CD1 . TRP A 1 133 ? 5.054 52.136 36.465 1.00 26.99 ? 133 TRP A CD1 1 -ATOM 1080 C CD2 . TRP A 1 133 ? 6.734 50.689 36.814 1.00 29.27 ? 133 TRP A CD2 1 -ATOM 1081 N NE1 . TRP A 1 133 ? 4.791 51.009 35.724 1.00 28.62 ? 133 TRP A NE1 1 -ATOM 1082 C CE2 . TRP A 1 133 ? 5.807 50.104 35.917 1.00 31.89 ? 133 TRP A CE2 1 -ATOM 1083 C CE3 . TRP A 1 133 ? 7.872 49.966 37.184 1.00 24.40 ? 133 TRP A CE3 1 -ATOM 1084 C CZ2 . TRP A 1 133 ? 5.988 48.821 35.382 1.00 31.36 ? 133 TRP A CZ2 1 -ATOM 1085 C CZ3 . TRP A 1 133 ? 8.055 48.691 36.656 1.00 28.75 ? 133 TRP A CZ3 1 -ATOM 1086 C CH2 . TRP A 1 133 ? 7.115 48.132 35.763 1.00 31.71 ? 133 TRP A CH2 1 -ATOM 1087 N N . THR A 1 134 ? 8.098 53.399 40.931 1.00 38.90 ? 134 THR A N 1 -ATOM 1088 C CA . THR A 1 134 ? 8.884 54.247 41.799 1.00 38.92 ? 134 THR A CA 1 -ATOM 1089 C C . THR A 1 134 ? 10.127 54.559 40.985 1.00 36.00 ? 134 THR A C 1 -ATOM 1090 O O . THR A 1 134 ? 10.978 53.699 40.810 1.00 34.05 ? 134 THR A O 1 -ATOM 1091 C CB . THR A 1 134 ? 9.318 53.479 43.061 1.00 44.16 ? 134 THR A CB 1 -ATOM 1092 O OG1 . THR A 1 134 ? 8.162 53.004 43.763 1.00 47.61 ? 134 THR A OG1 1 -ATOM 1093 C CG2 . THR A 1 134 ? 10.152 54.377 43.976 1.00 49.86 ? 134 THR A CG2 1 -ATOM 1094 N N . ALA A 1 135 ? 10.207 55.762 40.440 1.00 32.67 ? 135 ALA A N 1 -ATOM 1095 C CA . ALA A 1 135 ? 11.361 56.140 39.652 1.00 30.86 ? 135 ALA A CA 1 -ATOM 1096 C C . ALA A 1 135 ? 12.340 56.931 40.498 1.00 35.27 ? 135 ALA A C 1 -ATOM 1097 O O . ALA A 1 135 ? 11.952 57.881 41.172 1.00 38.66 ? 135 ALA A O 1 -ATOM 1098 C CB . ALA A 1 135 ? 10.932 56.958 38.461 1.00 27.43 ? 135 ALA A CB 1 -ATOM 1099 N N . ALA A 1 136 ? 13.606 56.534 40.456 1.00 33.74 ? 136 ALA A N 1 -ATOM 1100 C CA . ALA A 1 136 ? 14.648 57.209 41.209 1.00 34.39 ? 136 ALA A CA 1 -ATOM 1101 C C . ALA A 1 136 ? 14.840 58.672 40.792 1.00 39.16 ? 136 ALA A C 1 -ATOM 1102 O O . ALA A 1 136 ? 14.347 59.574 41.444 1.00 42.25 ? 136 ALA A O 1 -ATOM 1103 C CB . ALA A 1 136 ? 15.953 56.442 41.087 1.00 35.36 ? 136 ALA A CB 1 -ATOM 1104 N N . ASP A 1 137 ? 15.529 58.901 39.684 1.00 43.05 ? 137 ASP A N 1 -ATOM 1105 C CA . ASP A 1 137 ? 15.796 60.257 39.215 1.00 41.76 ? 137 ASP A CA 1 -ATOM 1106 C C . ASP A 1 137 ? 14.913 60.714 38.052 1.00 45.89 ? 137 ASP A C 1 -ATOM 1107 O O . ASP A 1 137 ? 13.811 60.192 37.856 1.00 47.87 ? 137 ASP A O 1 -ATOM 1108 C CB . ASP A 1 137 ? 17.269 60.364 38.833 1.00 45.09 ? 137 ASP A CB 1 -ATOM 1109 C CG . ASP A 1 137 ? 17.784 59.116 38.135 1.00 44.68 ? 137 ASP A CG 1 -ATOM 1110 O OD1 . ASP A 1 137 ? 17.014 58.440 37.425 1.00 47.02 ? 137 ASP A OD1 1 -ATOM 1111 O OD2 . ASP A 1 137 ? 18.972 58.803 38.308 1.00 51.63 ? 137 ASP A OD2 1 -ATOM 1112 N N . MET A 1 138 ? 15.399 61.696 37.287 1.00 44.16 ? 138 MET A N 1 -ATOM 1113 C CA . MET A 1 138 ? 14.663 62.220 36.136 1.00 43.28 ? 138 MET A CA 1 -ATOM 1114 C C . MET A 1 138 ? 14.587 61.175 35.029 1.00 39.33 ? 138 MET A C 1 -ATOM 1115 O O . MET A 1 138 ? 13.542 61.013 34.394 1.00 37.01 ? 138 MET A O 1 -ATOM 1116 C CB . MET A 1 138 ? 15.327 63.490 35.595 1.00 46.96 ? 138 MET A CB 1 -ATOM 1117 C CG . MET A 1 138 ? 15.259 64.684 36.534 1.00 52.53 ? 138 MET A CG 1 -ATOM 1118 S SD . MET A 1 138 ? 13.580 65.252 36.867 1.00 57.91 ? 138 MET A SD 1 -ATOM 1119 C CE . MET A 1 138 ? 13.329 66.325 35.470 1.00 54.52 ? 138 MET A CE 1 -ATOM 1120 N N . ALA A 1 139 ? 15.709 60.488 34.801 1.00 37.23 ? 139 ALA A N 1 -ATOM 1121 C CA . ALA A 1 139 ? 15.808 59.441 33.787 1.00 31.49 ? 139 ALA A CA 1 -ATOM 1122 C C . ALA A 1 139 ? 14.734 58.402 34.069 1.00 32.22 ? 139 ALA A C 1 -ATOM 1123 O O . ALA A 1 139 ? 13.857 58.159 33.247 1.00 38.57 ? 139 ALA A O 1 -ATOM 1124 C CB . ALA A 1 139 ? 17.181 58.807 33.829 1.00 26.07 ? 139 ALA A CB 1 -ATOM 1125 N N . ALA A 1 140 ? 14.757 57.860 35.279 1.00 35.06 ? 140 ALA A N 1 -ATOM 1126 C CA . ALA A 1 140 ? 13.788 56.864 35.710 1.00 34.73 ? 140 ALA A CA 1 -ATOM 1127 C C . ALA A 1 140 ? 12.367 57.343 35.431 1.00 39.42 ? 140 ALA A C 1 -ATOM 1128 O O . ALA A 1 140 ? 11.472 56.547 35.128 1.00 40.03 ? 140 ALA A O 1 -ATOM 1129 C CB . ALA A 1 140 ? 13.967 56.587 37.175 1.00 29.31 ? 140 ALA A CB 1 -ATOM 1130 N N . GLN A 1 141 ? 12.158 58.651 35.527 1.00 44.41 ? 141 GLN A N 1 -ATOM 1131 C CA . GLN A 1 141 ? 10.840 59.216 35.271 1.00 45.73 ? 141 GLN A CA 1 -ATOM 1132 C C . GLN A 1 141 ? 10.454 59.111 33.809 1.00 44.07 ? 141 GLN A C 1 -ATOM 1133 O O . GLN A 1 141 ? 9.294 58.823 33.501 1.00 45.07 ? 141 GLN A O 1 -ATOM 1134 C CB . GLN A 1 141 ? 10.757 60.658 35.756 1.00 47.67 ? 141 GLN A CB 1 -ATOM 1135 C CG . GLN A 1 141 ? 10.497 60.739 37.227 1.00 45.33 ? 141 GLN A CG 1 -ATOM 1136 C CD . GLN A 1 141 ? 10.331 62.146 37.705 1.00 45.54 ? 141 GLN A CD 1 -ATOM 1137 O OE1 . GLN A 1 141 ? 9.476 62.883 37.223 1.00 45.47 ? 141 GLN A OE1 1 -ATOM 1138 N NE2 . GLN A 1 141 ? 11.136 62.529 38.675 1.00 50.38 ? 141 GLN A NE2 1 -ATOM 1139 N N . THR A 1 142 ? 11.421 59.332 32.919 1.00 40.97 ? 142 THR A N 1 -ATOM 1140 C CA . THR A 1 142 ? 11.186 59.226 31.480 1.00 40.16 ? 142 THR A CA 1 -ATOM 1141 C C . THR A 1 142 ? 10.671 57.808 31.210 1.00 41.30 ? 142 THR A C 1 -ATOM 1142 O O . THR A 1 142 ? 9.594 57.613 30.607 1.00 42.09 ? 142 THR A O 1 -ATOM 1143 C CB . THR A 1 142 ? 12.496 59.441 30.674 1.00 38.45 ? 142 THR A CB 1 -ATOM 1144 O OG1 . THR A 1 142 ? 12.914 60.808 30.777 1.00 39.44 ? 142 THR A OG1 1 -ATOM 1145 C CG2 . THR A 1 142 ? 12.301 59.076 29.213 1.00 33.75 ? 142 THR A CG2 1 -ATOM 1146 N N . THR A 1 143 ? 11.432 56.833 31.702 1.00 32.32 ? 143 THR A N 1 -ATOM 1147 C CA . THR A 1 143 ? 11.096 55.433 31.549 1.00 26.62 ? 143 THR A CA 1 -ATOM 1148 C C . THR A 1 143 ? 9.747 55.153 32.177 1.00 30.47 ? 143 THR A C 1 -ATOM 1149 O O . THR A 1 143 ? 8.929 54.405 31.633 1.00 34.95 ? 143 THR A O 1 -ATOM 1150 C CB . THR A 1 143 ? 12.129 54.590 32.235 1.00 24.47 ? 143 THR A CB 1 -ATOM 1151 O OG1 . THR A 1 143 ? 13.410 54.866 31.655 1.00 17.49 ? 143 THR A OG1 1 -ATOM 1152 C CG2 . THR A 1 143 ? 11.786 53.120 32.120 1.00 23.49 ? 143 THR A CG2 1 -ATOM 1153 N N . LYS A 1 144 ? 9.507 55.778 33.321 1.00 31.90 ? 144 LYS A N 1 -ATOM 1154 C CA . LYS A 1 144 ? 8.256 55.601 34.017 1.00 28.41 ? 144 LYS A CA 1 -ATOM 1155 C C . LYS A 1 144 ? 7.135 55.982 33.060 1.00 29.81 ? 144 LYS A C 1 -ATOM 1156 O O . LYS A 1 144 ? 6.204 55.204 32.851 1.00 31.10 ? 144 LYS A O 1 -ATOM 1157 C CB . LYS A 1 144 ? 8.225 56.474 35.274 1.00 30.71 ? 144 LYS A CB 1 -ATOM 1158 C CG . LYS A 1 144 ? 7.044 56.187 36.180 1.00 32.56 ? 144 LYS A CG 1 -ATOM 1159 C CD . LYS A 1 144 ? 6.990 57.110 37.385 1.00 36.07 ? 144 LYS A CD 1 -ATOM 1160 C CE . LYS A 1 144 ? 5.668 56.921 38.120 1.00 43.65 ? 144 LYS A CE 1 -ATOM 1161 N NZ . LYS A 1 144 ? 5.563 57.740 39.361 1.00 52.92 ? 144 LYS A NZ 1 -ATOM 1162 N N . HIS A 1 145 ? 7.272 57.140 32.418 1.00 33.03 ? 145 HIS A N 1 -ATOM 1163 C CA . HIS A 1 145 ? 6.266 57.623 31.480 1.00 35.65 ? 145 HIS A CA 1 -ATOM 1164 C C . HIS A 1 145 ? 6.063 56.631 30.352 1.00 34.90 ? 145 HIS A C 1 -ATOM 1165 O O . HIS A 1 145 ? 4.931 56.303 29.992 1.00 31.53 ? 145 HIS A O 1 -ATOM 1166 C CB . HIS A 1 145 ? 6.663 58.977 30.881 1.00 49.12 ? 145 HIS A CB 1 -ATOM 1167 C CG . HIS A 1 145 ? 5.601 59.576 29.999 1.00 59.89 ? 145 HIS A CG 1 -ATOM 1168 N ND1 . HIS A 1 145 ? 5.432 59.206 28.684 1.00 60.72 ? 145 HIS A ND1 1 -ATOM 1169 C CD2 . HIS A 1 145 ? 4.623 60.469 30.275 1.00 66.73 ? 145 HIS A CD2 1 -ATOM 1170 C CE1 . HIS A 1 145 ? 4.386 59.845 28.183 1.00 69.83 ? 145 HIS A CE1 1 -ATOM 1171 N NE2 . HIS A 1 145 ? 3.877 60.613 29.123 1.00 71.01 ? 145 HIS A NE2 1 -ATOM 1172 N N . LYS A 1 146 ? 7.170 56.205 29.760 1.00 30.16 ? 146 LYS A N 1 -ATOM 1173 C CA . LYS A 1 146 ? 7.125 55.250 28.674 1.00 27.56 ? 146 LYS A CA 1 -ATOM 1174 C C . LYS A 1 146 ? 6.300 54.024 29.051 1.00 30.55 ? 146 LYS A C 1 -ATOM 1175 O O . LYS A 1 146 ? 5.375 53.642 28.322 1.00 31.74 ? 146 LYS A O 1 -ATOM 1176 C CB . LYS A 1 146 ? 8.531 54.781 28.323 1.00 27.93 ? 146 LYS A CB 1 -ATOM 1177 C CG . LYS A 1 146 ? 9.421 55.802 27.659 1.00 31.31 ? 146 LYS A CG 1 -ATOM 1178 C CD . LYS A 1 146 ? 10.593 55.087 26.990 1.00 28.91 ? 146 LYS A CD 1 -ATOM 1179 C CE . LYS A 1 146 ? 11.531 56.049 26.316 1.00 34.39 ? 146 LYS A CE 1 -ATOM 1180 N NZ . LYS A 1 146 ? 12.649 55.313 25.691 1.00 42.56 ? 146 LYS A NZ 1 -ATOM 1181 N N . TRP A 1 147 ? 6.631 53.425 30.196 1.00 27.95 ? 147 TRP A N 1 -ATOM 1182 C CA . TRP A 1 147 ? 5.967 52.218 30.665 1.00 19.99 ? 147 TRP A CA 1 -ATOM 1183 C C . TRP A 1 147 ? 4.534 52.370 31.105 1.00 20.84 ? 147 TRP A C 1 -ATOM 1184 O O . TRP A 1 147 ? 3.765 51.415 31.030 1.00 24.43 ? 147 TRP A O 1 -ATOM 1185 C CB . TRP A 1 147 ? 6.810 51.544 31.737 1.00 26.53 ? 147 TRP A CB 1 -ATOM 1186 C CG . TRP A 1 147 ? 8.134 51.076 31.191 1.00 30.69 ? 147 TRP A CG 1 -ATOM 1187 C CD1 . TRP A 1 147 ? 8.631 51.305 29.936 1.00 26.76 ? 147 TRP A CD1 1 -ATOM 1188 C CD2 . TRP A 1 147 ? 9.133 50.300 31.884 1.00 36.26 ? 147 TRP A CD2 1 -ATOM 1189 N NE1 . TRP A 1 147 ? 9.869 50.734 29.801 1.00 27.94 ? 147 TRP A NE1 1 -ATOM 1190 C CE2 . TRP A 1 147 ? 10.206 50.106 30.976 1.00 31.47 ? 147 TRP A CE2 1 -ATOM 1191 C CE3 . TRP A 1 147 ? 9.230 49.754 33.179 1.00 34.66 ? 147 TRP A CE3 1 -ATOM 1192 C CZ2 . TRP A 1 147 ? 11.377 49.377 31.322 1.00 29.84 ? 147 TRP A CZ2 1 -ATOM 1193 C CZ3 . TRP A 1 147 ? 10.405 49.022 33.527 1.00 32.40 ? 147 TRP A CZ3 1 -ATOM 1194 C CH2 . TRP A 1 147 ? 11.455 48.846 32.592 1.00 21.23 ? 147 TRP A CH2 1 -ATOM 1195 N N . GLU A 1 148 ? 4.159 53.557 31.562 1.00 26.32 ? 148 GLU A N 1 -ATOM 1196 C CA . GLU A 1 148 ? 2.775 53.794 31.971 1.00 32.17 ? 148 GLU A CA 1 -ATOM 1197 C C . GLU A 1 148 ? 1.946 53.879 30.703 1.00 36.51 ? 148 GLU A C 1 -ATOM 1198 O O . GLU A 1 148 ? 0.831 53.354 30.643 1.00 36.49 ? 148 GLU A O 1 -ATOM 1199 C CB . GLU A 1 148 ? 2.643 55.097 32.769 1.00 43.59 ? 148 GLU A CB 1 -ATOM 1200 C CG . GLU A 1 148 ? 3.356 55.076 34.128 1.00 44.65 ? 148 GLU A CG 1 -ATOM 1201 C CD . GLU A 1 148 ? 3.249 56.396 34.894 1.00 48.80 ? 148 GLU A CD 1 -ATOM 1202 O OE1 . GLU A 1 148 ? 3.412 57.483 34.280 1.00 41.91 ? 148 GLU A OE1 1 -ATOM 1203 O OE2 . GLU A 1 148 ? 3.021 56.331 36.126 1.00 52.12 ? 148 GLU A OE2 1 -ATOM 1204 N N . ALA A 1 149 ? 2.538 54.494 29.674 1.00 45.27 ? 149 ALA A N 1 -ATOM 1205 C CA . ALA A 1 149 ? 1.910 54.670 28.349 1.00 45.65 ? 149 ALA A CA 1 -ATOM 1206 C C . ALA A 1 149 ? 1.705 53.340 27.624 1.00 42.76 ? 149 ALA A C 1 -ATOM 1207 O O . ALA A 1 149 ? 0.656 53.108 27.009 1.00 43.48 ? 149 ALA A O 1 -ATOM 1208 C CB . ALA A 1 149 ? 2.748 55.609 27.476 1.00 36.12 ? 149 ALA A CB 1 -ATOM 1209 N N . ALA A 1 150 ? 2.713 52.478 27.694 1.00 40.28 ? 150 ALA A N 1 -ATOM 1210 C CA . ALA A 1 150 ? 2.658 51.165 27.065 1.00 37.93 ? 150 ALA A CA 1 -ATOM 1211 C C . ALA A 1 150 ? 1.942 50.142 27.943 1.00 40.30 ? 150 ALA A C 1 -ATOM 1212 O O . ALA A 1 150 ? 1.897 48.968 27.601 1.00 44.70 ? 150 ALA A O 1 -ATOM 1213 C CB . ALA A 1 150 ? 4.052 50.680 26.740 1.00 33.20 ? 150 ALA A CB 1 -ATOM 1214 N N . HIS A 1 151 ? 1.402 50.582 29.079 1.00 39.83 ? 151 HIS A N 1 -ATOM 1215 C CA . HIS A 1 151 ? 0.677 49.694 29.990 1.00 40.47 ? 151 HIS A CA 1 -ATOM 1216 C C . HIS A 1 151 ? 1.438 48.415 30.387 1.00 37.58 ? 151 HIS A C 1 -ATOM 1217 O O . HIS A 1 151 ? 0.845 47.354 30.617 1.00 26.43 ? 151 HIS A O 1 -ATOM 1218 C CB . HIS A 1 151 ? -0.711 49.375 29.421 1.00 45.42 ? 151 HIS A CB 1 -ATOM 1219 C CG . HIS A 1 151 ? -1.619 50.567 29.354 1.00 58.59 ? 151 HIS A CG 1 -ATOM 1220 N ND1 . HIS A 1 151 ? -2.758 50.674 30.124 1.00 69.13 ? 151 HIS A ND1 1 -ATOM 1221 C CD2 . HIS A 1 151 ? -1.545 51.713 28.637 1.00 63.67 ? 151 HIS A CD2 1 -ATOM 1222 C CE1 . HIS A 1 151 ? -3.346 51.833 29.887 1.00 71.72 ? 151 HIS A CE1 1 -ATOM 1223 N NE2 . HIS A 1 151 ? -2.631 52.484 28.988 1.00 69.77 ? 151 HIS A NE2 1 -ATOM 1224 N N . VAL A 1 152 ? 2.751 48.571 30.558 1.00 39.62 ? 152 VAL A N 1 -ATOM 1225 C CA . VAL A 1 152 ? 3.667 47.489 30.957 1.00 43.48 ? 152 VAL A CA 1 -ATOM 1226 C C . VAL A 1 152 ? 3.275 46.873 32.317 1.00 49.12 ? 152 VAL A C 1 -ATOM 1227 O O . VAL A 1 152 ? 3.266 45.644 32.499 1.00 50.01 ? 152 VAL A O 1 -ATOM 1228 C CB . VAL A 1 152 ? 5.139 48.020 31.047 1.00 37.62 ? 152 VAL A CB 1 -ATOM 1229 C CG1 . VAL A 1 152 ? 6.077 46.951 31.575 1.00 34.99 ? 152 VAL A CG1 1 -ATOM 1230 C CG2 . VAL A 1 152 ? 5.610 48.496 29.692 1.00 36.15 ? 152 VAL A CG2 1 -ATOM 1231 N N . ALA A 1 153 ? 2.956 47.731 33.280 1.00 49.95 ? 153 ALA A N 1 -ATOM 1232 C CA . ALA A 1 153 ? 2.564 47.255 34.598 1.00 46.09 ? 153 ALA A CA 1 -ATOM 1233 C C . ALA A 1 153 ? 1.412 46.256 34.491 1.00 41.41 ? 153 ALA A C 1 -ATOM 1234 O O . ALA A 1 153 ? 1.485 45.175 35.059 1.00 36.15 ? 153 ALA A O 1 -ATOM 1235 C CB . ALA A 1 153 ? 2.168 48.422 35.476 1.00 48.16 ? 153 ALA A CB 1 -ATOM 1236 N N . GLU A 1 154 ? 0.392 46.589 33.696 1.00 44.40 ? 154 GLU A N 1 -ATOM 1237 C CA . GLU A 1 154 ? -0.787 45.735 33.518 1.00 42.56 ? 154 GLU A CA 1 -ATOM 1238 C C . GLU A 1 154 ? -0.480 44.374 32.953 1.00 36.72 ? 154 GLU A C 1 -ATOM 1239 O O . GLU A 1 154 ? -1.260 43.445 33.110 1.00 40.54 ? 154 GLU A O 1 -ATOM 1240 C CB . GLU A 1 154 ? -1.829 46.423 32.651 1.00 47.46 ? 154 GLU A CB 1 -ATOM 1241 C CG . GLU A 1 154 ? -2.259 47.776 33.211 1.00 62.61 ? 154 GLU A CG 1 -ATOM 1242 C CD . GLU A 1 154 ? -3.289 48.492 32.355 1.00 75.25 ? 154 GLU A CD 1 -ATOM 1243 O OE1 . GLU A 1 154 ? -3.732 47.932 31.301 1.00 85.22 ? 154 GLU A OE1 1 -ATOM 1244 O OE2 . GLU A 1 154 ? -3.662 49.646 32.728 1.00 75.79 ? 154 GLU A OE2 1 -ATOM 1245 N N . GLN A 1 155 ? 0.647 44.253 32.273 1.00 33.98 ? 155 GLN A N 1 -ATOM 1246 C CA . GLN A 1 155 ? 1.040 42.969 31.732 1.00 29.12 ? 155 GLN A CA 1 -ATOM 1247 C C . GLN A 1 155 ? 1.869 42.232 32.793 1.00 28.40 ? 155 GLN A C 1 -ATOM 1248 O O . GLN A 1 155 ? 1.747 41.019 32.945 1.00 32.32 ? 155 GLN A O 1 -ATOM 1249 C CB . GLN A 1 155 ? 1.851 43.137 30.450 1.00 29.41 ? 155 GLN A CB 1 -ATOM 1250 C CG . GLN A 1 155 ? 1.941 41.867 29.615 1.00 28.21 ? 155 GLN A CG 1 -ATOM 1251 C CD . GLN A 1 155 ? 0.691 41.602 28.808 1.00 29.59 ? 155 GLN A CD 1 -ATOM 1252 O OE1 . GLN A 1 155 ? 0.326 42.385 27.935 1.00 37.70 ? 155 GLN A OE1 1 -ATOM 1253 N NE2 . GLN A 1 155 ? 0.037 40.488 29.081 1.00 32.74 ? 155 GLN A NE2 1 -ATOM 1254 N N . LEU A 1 156 ? 2.714 42.952 33.530 1.00 26.54 ? 156 LEU A N 1 -ATOM 1255 C CA . LEU A 1 156 ? 3.524 42.309 34.572 1.00 23.35 ? 156 LEU A CA 1 -ATOM 1256 C C . LEU A 1 156 ? 2.591 41.748 35.627 1.00 26.96 ? 156 LEU A C 1 -ATOM 1257 O O . LEU A 1 156 ? 2.764 40.623 36.085 1.00 28.02 ? 156 LEU A O 1 -ATOM 1258 C CB . LEU A 1 156 ? 4.489 43.294 35.225 1.00 14.83 ? 156 LEU A CB 1 -ATOM 1259 C CG . LEU A 1 156 ? 5.930 43.278 34.741 1.00 10.98 ? 156 LEU A CG 1 -ATOM 1260 C CD1 . LEU A 1 156 ? 6.654 44.509 35.204 1.00 10.33 ? 156 LEU A CD1 1 -ATOM 1261 C CD2 . LEU A 1 156 ? 6.622 42.031 35.213 1.00 7.66 ? 156 LEU A CD2 1 -ATOM 1262 N N . ARG A 1 157 ? 1.585 42.535 35.988 1.00 27.72 ? 157 ARG A N 1 -ATOM 1263 C CA . ARG A 1 157 ? 0.614 42.130 36.987 1.00 32.62 ? 157 ARG A CA 1 -ATOM 1264 C C . ARG A 1 157 ? -0.009 40.790 36.629 1.00 31.80 ? 157 ARG A C 1 -ATOM 1265 O O . ARG A 1 157 ? -0.190 39.937 37.499 1.00 33.93 ? 157 ARG A O 1 -ATOM 1266 C CB . ARG A 1 157 ? -0.493 43.175 37.137 1.00 41.20 ? 157 ARG A CB 1 -ATOM 1267 C CG . ARG A 1 157 ? -1.285 42.984 38.413 1.00 49.38 ? 157 ARG A CG 1 -ATOM 1268 C CD . ARG A 1 157 ? -2.626 43.684 38.422 1.00 55.27 ? 157 ARG A CD 1 -ATOM 1269 N NE . ARG A 1 157 ? -3.250 43.468 39.720 1.00 62.81 ? 157 ARG A NE 1 -ATOM 1270 C CZ . ARG A 1 157 ? -3.918 44.388 40.402 1.00 67.00 ? 157 ARG A CZ 1 -ATOM 1271 N NH1 . ARG A 1 157 ? -4.086 45.595 39.898 1.00 62.82 ? 157 ARG A NH1 1 -ATOM 1272 N NH2 . ARG A 1 157 ? -4.271 44.154 41.662 1.00 69.44 ? 157 ARG A NH2 1 -ATOM 1273 N N . ALA A 1 158 ? -0.331 40.601 35.355 1.00 27.82 ? 158 ALA A N 1 -ATOM 1274 C CA . ALA A 1 158 ? -0.938 39.357 34.915 1.00 24.83 ? 158 ALA A CA 1 -ATOM 1275 C C . ALA A 1 158 ? 0.079 38.224 34.938 1.00 25.12 ? 158 ALA A C 1 -ATOM 1276 O O . ALA A 1 158 ? -0.291 37.052 35.011 1.00 27.06 ? 158 ALA A O 1 -ATOM 1277 C CB . ALA A 1 158 ? -1.541 39.523 33.531 1.00 25.99 ? 158 ALA A CB 1 -ATOM 1278 N N . TYR A 1 159 ? 1.360 38.571 34.857 1.00 23.59 ? 159 TYR A N 1 -ATOM 1279 C CA . TYR A 1 159 ? 2.422 37.582 34.893 1.00 22.54 ? 159 TYR A CA 1 -ATOM 1280 C C . TYR A 1 159 ? 2.663 37.153 36.347 1.00 26.63 ? 159 TYR A C 1 -ATOM 1281 O O . TYR A 1 159 ? 2.585 35.967 36.677 1.00 23.76 ? 159 TYR A O 1 -ATOM 1282 C CB . TYR A 1 159 ? 3.722 38.148 34.287 1.00 25.80 ? 159 TYR A CB 1 -ATOM 1283 C CG . TYR A 1 159 ? 4.942 37.280 34.571 1.00 26.62 ? 159 TYR A CG 1 -ATOM 1284 C CD1 . TYR A 1 159 ? 4.987 35.946 34.157 1.00 27.21 ? 159 TYR A CD1 1 -ATOM 1285 C CD2 . TYR A 1 159 ? 6.002 37.757 35.348 1.00 34.31 ? 159 TYR A CD2 1 -ATOM 1286 C CE1 . TYR A 1 159 ? 6.041 35.105 34.515 1.00 19.87 ? 159 TYR A CE1 1 -ATOM 1287 C CE2 . TYR A 1 159 ? 7.072 36.914 35.716 1.00 27.78 ? 159 TYR A CE2 1 -ATOM 1288 C CZ . TYR A 1 159 ? 7.073 35.591 35.295 1.00 22.00 ? 159 TYR A CZ 1 -ATOM 1289 O OH . TYR A 1 159 ? 8.091 34.753 35.672 1.00 21.55 ? 159 TYR A OH 1 -ATOM 1290 N N . LEU A 1 160 ? 2.956 38.132 37.202 1.00 24.74 ? 160 LEU A N 1 -ATOM 1291 C CA . LEU A 1 160 ? 3.235 37.919 38.623 1.00 21.36 ? 160 LEU A CA 1 -ATOM 1292 C C . LEU A 1 160 ? 2.088 37.243 39.378 1.00 21.00 ? 160 LEU A C 1 -ATOM 1293 O O . LEU A 1 160 ? 2.295 36.238 40.062 1.00 25.09 ? 160 LEU A O 1 -ATOM 1294 C CB . LEU A 1 160 ? 3.580 39.258 39.293 1.00 15.39 ? 160 LEU A CB 1 -ATOM 1295 C CG . LEU A 1 160 ? 4.726 40.051 38.660 1.00 13.82 ? 160 LEU A CG 1 -ATOM 1296 C CD1 . LEU A 1 160 ? 4.778 41.477 39.194 1.00 9.75 ? 160 LEU A CD1 1 -ATOM 1297 C CD2 . LEU A 1 160 ? 6.049 39.338 38.881 1.00 12.58 ? 160 LEU A CD2 1 -ATOM 1298 N N . GLU A 1 161 ? 0.885 37.793 39.260 1.00 20.25 ? 161 GLU A N 1 -ATOM 1299 C CA . GLU A 1 161 ? -0.274 37.226 39.940 1.00 26.02 ? 161 GLU A CA 1 -ATOM 1300 C C . GLU A 1 161 ? -0.735 35.895 39.375 1.00 32.68 ? 161 GLU A C 1 -ATOM 1301 O O . GLU A 1 161 ? -1.209 35.040 40.120 1.00 42.25 ? 161 GLU A O 1 -ATOM 1302 C CB . GLU A 1 161 ? -1.461 38.182 39.906 1.00 23.35 ? 161 GLU A CB 1 -ATOM 1303 C CG . GLU A 1 161 ? -1.278 39.455 40.710 1.00 31.48 ? 161 GLU A CG 1 -ATOM 1304 C CD . GLU A 1 161 ? -2.600 40.125 41.056 1.00 34.50 ? 161 GLU A CD 1 -ATOM 1305 O OE1 . GLU A 1 161 ? -3.662 39.473 40.948 1.00 34.82 ? 161 GLU A OE1 1 -ATOM 1306 O OE2 . GLU A 1 161 ? -2.574 41.305 41.457 1.00 42.11 ? 161 GLU A OE2 1 -ATOM 1307 N N . GLY A 1 162 ? -0.626 35.731 38.058 1.00 35.76 ? 162 GLY A N 1 -ATOM 1308 C CA . GLY A 1 162 ? -1.073 34.508 37.413 1.00 32.58 ? 162 GLY A CA 1 -ATOM 1309 C C . GLY A 1 162 ? -0.021 33.505 36.977 1.00 34.74 ? 162 GLY A C 1 -ATOM 1310 O O . GLY A 1 162 ? 0.298 32.573 37.710 1.00 40.02 ? 162 GLY A O 1 -ATOM 1311 N N . THR A 1 163 ? 0.565 33.715 35.808 1.00 35.21 ? 163 THR A N 1 -ATOM 1312 C CA . THR A 1 163 ? 1.537 32.767 35.274 1.00 35.72 ? 163 THR A CA 1 -ATOM 1313 C C . THR A 1 163 ? 2.770 32.444 36.159 1.00 36.49 ? 163 THR A C 1 -ATOM 1314 O O . THR A 1 163 ? 3.169 31.275 36.278 1.00 36.00 ? 163 THR A O 1 -ATOM 1315 C CB . THR A 1 163 ? 1.845 33.053 33.720 1.00 31.66 ? 163 THR A CB 1 -ATOM 1316 O OG1 . THR A 1 163 ? 3.253 33.113 33.453 1.00 27.98 ? 163 THR A OG1 1 -ATOM 1317 C CG2 . THR A 1 163 ? 1.171 34.337 33.240 1.00 33.92 ? 163 THR A CG2 1 -ATOM 1318 N N . CYS A 1 164 ? 3.298 33.437 36.867 1.00 33.91 ? 164 CYS A N 1 -ATOM 1319 C CA . CYS A 1 164 ? 4.456 33.212 37.734 1.00 32.78 ? 164 CYS A CA 1 -ATOM 1320 C C . CYS A 1 164 ? 4.055 32.199 38.819 1.00 36.15 ? 164 CYS A C 1 -ATOM 1321 O O . CYS A 1 164 ? 4.712 31.176 39.039 1.00 34.86 ? 164 CYS A O 1 -ATOM 1322 C CB . CYS A 1 164 ? 4.879 34.530 38.386 1.00 32.11 ? 164 CYS A CB 1 -ATOM 1323 S SG . CYS A 1 164 ? 6.355 34.427 39.457 1.00 35.63 ? 164 CYS A SG 1 -ATOM 1324 N N . VAL A 1 165 ? 2.911 32.450 39.436 1.00 33.97 ? 165 VAL A N 1 -ATOM 1325 C CA . VAL A 1 165 ? 2.421 31.586 40.484 1.00 30.77 ? 165 VAL A CA 1 -ATOM 1326 C C . VAL A 1 165 ? 2.185 30.180 39.960 1.00 32.10 ? 165 VAL A C 1 -ATOM 1327 O O . VAL A 1 165 ? 2.777 29.228 40.456 1.00 33.45 ? 165 VAL A O 1 -ATOM 1328 C CB . VAL A 1 165 ? 1.134 32.164 41.103 1.00 27.78 ? 165 VAL A CB 1 -ATOM 1329 C CG1 . VAL A 1 165 ? 0.501 31.161 42.010 1.00 27.17 ? 165 VAL A CG1 1 -ATOM 1330 C CG2 . VAL A 1 165 ? 1.449 33.433 41.867 1.00 25.00 ? 165 VAL A CG2 1 -ATOM 1331 N N . GLU A 1 166 ? 1.365 30.066 38.920 1.00 37.00 ? 166 GLU A N 1 -ATOM 1332 C CA . GLU A 1 166 ? 1.023 28.779 38.313 1.00 42.44 ? 166 GLU A CA 1 -ATOM 1333 C C . GLU A 1 166 ? 2.236 27.898 38.022 1.00 42.17 ? 166 GLU A C 1 -ATOM 1334 O O . GLU A 1 166 ? 2.208 26.678 38.235 1.00 41.21 ? 166 GLU A O 1 -ATOM 1335 C CB . GLU A 1 166 ? 0.228 29.006 37.018 1.00 53.25 ? 166 GLU A CB 1 -ATOM 1336 C CG . GLU A 1 166 ? -0.290 27.724 36.320 1.00 71.87 ? 166 GLU A CG 1 -ATOM 1337 C CD . GLU A 1 166 ? -1.443 27.033 37.070 1.00 82.74 ? 166 GLU A CD 1 -ATOM 1338 O OE1 . GLU A 1 166 ? -2.265 27.746 37.694 1.00 89.03 ? 166 GLU A OE1 1 -ATOM 1339 O OE2 . GLU A 1 166 ? -1.538 25.781 37.023 1.00 84.94 ? 166 GLU A OE2 1 -ATOM 1340 N N . TRP A 1 167 ? 3.305 28.522 37.547 1.00 39.64 ? 167 TRP A N 1 -ATOM 1341 C CA . TRP A 1 167 ? 4.511 27.794 37.212 1.00 34.51 ? 167 TRP A CA 1 -ATOM 1342 C C . TRP A 1 167 ? 5.310 27.363 38.413 1.00 37.19 ? 167 TRP A C 1 -ATOM 1343 O O . TRP A 1 167 ? 5.896 26.283 38.396 1.00 39.22 ? 167 TRP A O 1 -ATOM 1344 C CB . TRP A 1 167 ? 5.350 28.593 36.207 1.00 34.01 ? 167 TRP A CB 1 -ATOM 1345 C CG . TRP A 1 167 ? 4.768 28.409 34.854 1.00 32.84 ? 167 TRP A CG 1 -ATOM 1346 C CD1 . TRP A 1 167 ? 3.643 29.009 34.363 1.00 29.86 ? 167 TRP A CD1 1 -ATOM 1347 C CD2 . TRP A 1 167 ? 5.106 27.380 33.928 1.00 29.54 ? 167 TRP A CD2 1 -ATOM 1348 N NE1 . TRP A 1 167 ? 3.236 28.388 33.216 1.00 24.45 ? 167 TRP A NE1 1 -ATOM 1349 C CE2 . TRP A 1 167 ? 4.117 27.384 32.922 1.00 30.39 ? 167 TRP A CE2 1 -ATOM 1350 C CE3 . TRP A 1 167 ? 6.146 26.439 33.859 1.00 32.42 ? 167 TRP A CE3 1 -ATOM 1351 C CZ2 . TRP A 1 167 ? 4.131 26.481 31.859 1.00 33.54 ? 167 TRP A CZ2 1 -ATOM 1352 C CZ3 . TRP A 1 167 ? 6.165 25.540 32.804 1.00 34.73 ? 167 TRP A CZ3 1 -ATOM 1353 C CH2 . TRP A 1 167 ? 5.160 25.566 31.816 1.00 35.11 ? 167 TRP A CH2 1 -ATOM 1354 N N . LEU A 1 168 ? 5.310 28.190 39.462 1.00 39.09 ? 168 LEU A N 1 -ATOM 1355 C CA . LEU A 1 168 ? 6.036 27.888 40.698 1.00 34.13 ? 168 LEU A CA 1 -ATOM 1356 C C . LEU A 1 168 ? 5.438 26.638 41.298 1.00 32.93 ? 168 LEU A C 1 -ATOM 1357 O O . LEU A 1 168 ? 6.164 25.747 41.707 1.00 34.99 ? 168 LEU A O 1 -ATOM 1358 C CB . LEU A 1 168 ? 5.934 29.038 41.698 1.00 30.67 ? 168 LEU A CB 1 -ATOM 1359 C CG . LEU A 1 168 ? 6.511 28.865 43.110 1.00 24.83 ? 168 LEU A CG 1 -ATOM 1360 C CD1 . LEU A 1 168 ? 8.013 28.722 43.114 1.00 22.65 ? 168 LEU A CD1 1 -ATOM 1361 C CD2 . LEU A 1 168 ? 6.087 30.062 43.934 1.00 19.99 ? 168 LEU A CD2 1 -ATOM 1362 N N . ARG A 1 169 ? 4.111 26.578 41.342 1.00 30.17 ? 169 ARG A N 1 -ATOM 1363 C CA . ARG A 1 169 ? 3.425 25.411 41.873 1.00 29.02 ? 169 ARG A CA 1 -ATOM 1364 C C . ARG A 1 169 ? 3.855 24.191 41.094 1.00 30.42 ? 169 ARG A C 1 -ATOM 1365 O O . ARG A 1 169 ? 4.099 23.141 41.674 1.00 37.40 ? 169 ARG A O 1 -ATOM 1366 C CB . ARG A 1 169 ? 1.914 25.565 41.757 1.00 28.28 ? 169 ARG A CB 1 -ATOM 1367 C CG . ARG A 1 169 ? 1.347 26.667 42.623 1.00 30.50 ? 169 ARG A CG 1 -ATOM 1368 C CD . ARG A 1 169 ? -0.144 26.771 42.440 1.00 29.21 ? 169 ARG A CD 1 -ATOM 1369 N NE . ARG A 1 169 ? -0.605 28.078 42.880 1.00 32.23 ? 169 ARG A NE 1 -ATOM 1370 C CZ . ARG A 1 169 ? -1.612 28.737 42.321 1.00 34.51 ? 169 ARG A CZ 1 -ATOM 1371 N NH1 . ARG A 1 169 ? -2.262 28.205 41.301 1.00 37.48 ? 169 ARG A NH1 1 -ATOM 1372 N NH2 . ARG A 1 169 ? -1.970 29.931 42.777 1.00 33.86 ? 169 ARG A NH2 1 -ATOM 1373 N N . ARG A 1 170 ? 3.957 24.342 39.777 1.00 35.58 ? 170 ARG A N 1 -ATOM 1374 C CA . ARG A 1 170 ? 4.373 23.251 38.892 1.00 35.85 ? 170 ARG A CA 1 -ATOM 1375 C C . ARG A 1 170 ? 5.764 22.798 39.308 1.00 33.74 ? 170 ARG A C 1 -ATOM 1376 O O . ARG A 1 170 ? 5.978 21.642 39.628 1.00 35.36 ? 170 ARG A O 1 -ATOM 1377 C CB . ARG A 1 170 ? 4.376 23.719 37.412 1.00 31.64 ? 170 ARG A CB 1 -ATOM 1378 N N . TYR A 1 171 ? 6.689 23.744 39.368 1.00 36.06 ? 171 TYR A N 1 -ATOM 1379 C CA . TYR A 1 171 ? 8.064 23.462 39.745 1.00 34.87 ? 171 TYR A CA 1 -ATOM 1380 C C . TYR A 1 171 ? 8.138 22.794 41.117 1.00 35.91 ? 171 TYR A C 1 -ATOM 1381 O O . TYR A 1 171 ? 8.761 21.748 41.285 1.00 37.26 ? 171 TYR A O 1 -ATOM 1382 C CB . TYR A 1 171 ? 8.872 24.760 39.720 1.00 30.82 ? 171 TYR A CB 1 -ATOM 1383 C CG . TYR A 1 171 ? 8.971 25.386 38.341 1.00 37.84 ? 171 TYR A CG 1 -ATOM 1384 C CD1 . TYR A 1 171 ? 8.839 24.610 37.191 1.00 36.00 ? 171 TYR A CD1 1 -ATOM 1385 C CD2 . TYR A 1 171 ? 9.181 26.757 38.184 1.00 39.98 ? 171 TYR A CD2 1 -ATOM 1386 C CE1 . TYR A 1 171 ? 8.911 25.178 35.925 1.00 38.11 ? 171 TYR A CE1 1 -ATOM 1387 C CE2 . TYR A 1 171 ? 9.255 27.338 36.913 1.00 39.50 ? 171 TYR A CE2 1 -ATOM 1388 C CZ . TYR A 1 171 ? 9.114 26.537 35.788 1.00 37.97 ? 171 TYR A CZ 1 -ATOM 1389 O OH . TYR A 1 171 ? 9.156 27.099 34.528 1.00 38.42 ? 171 TYR A OH 1 -ATOM 1390 N N . LEU A 1 172 ? 7.448 23.376 42.085 1.00 35.11 ? 172 LEU A N 1 -ATOM 1391 C CA . LEU A 1 172 ? 7.422 22.841 43.426 1.00 35.60 ? 172 LEU A CA 1 -ATOM 1392 C C . LEU A 1 172 ? 6.968 21.387 43.347 1.00 39.85 ? 172 LEU A C 1 -ATOM 1393 O O . LEU A 1 172 ? 7.692 20.479 43.754 1.00 43.67 ? 172 LEU A O 1 -ATOM 1394 C CB . LEU A 1 172 ? 6.464 23.659 44.312 1.00 28.84 ? 172 LEU A CB 1 -ATOM 1395 C CG . LEU A 1 172 ? 6.821 25.131 44.596 1.00 23.20 ? 172 LEU A CG 1 -ATOM 1396 C CD1 . LEU A 1 172 ? 5.708 25.834 45.348 1.00 12.56 ? 172 LEU A CD1 1 -ATOM 1397 C CD2 . LEU A 1 172 ? 8.124 25.229 45.345 1.00 22.84 ? 172 LEU A CD2 1 -ATOM 1398 N N . GLU A 1 173 ? 5.833 21.160 42.700 1.00 41.08 ? 173 GLU A N 1 -ATOM 1399 C CA . GLU A 1 173 ? 5.288 19.819 42.590 1.00 44.15 ? 173 GLU A CA 1 -ATOM 1400 C C . GLU A 1 173 ? 6.204 18.817 41.877 1.00 48.07 ? 173 GLU A C 1 -ATOM 1401 O O . GLU A 1 173 ? 6.418 17.711 42.378 1.00 55.01 ? 173 GLU A O 1 -ATOM 1402 C CB . GLU A 1 173 ? 3.875 19.860 41.978 1.00 45.29 ? 173 GLU A CB 1 -ATOM 1403 C CG . GLU A 1 173 ? 3.119 18.530 42.016 1.00 60.31 ? 173 GLU A CG 1 -ATOM 1404 C CD . GLU A 1 173 ? 3.048 17.877 43.417 1.00 73.48 ? 173 GLU A CD 1 -ATOM 1405 O OE1 . GLU A 1 173 ? 3.279 18.557 44.446 1.00 79.94 ? 173 GLU A OE1 1 -ATOM 1406 O OE2 . GLU A 1 173 ? 2.752 16.661 43.492 1.00 77.61 ? 173 GLU A OE2 1 -ATOM 1407 N N . ASN A 1 174 ? 6.795 19.203 40.751 1.00 48.91 ? 174 ASN A N 1 -ATOM 1408 C CA . ASN A 1 174 ? 7.676 18.281 40.022 1.00 47.00 ? 174 ASN A CA 1 -ATOM 1409 C C . ASN A 1 174 ? 9.004 18.132 40.751 1.00 45.94 ? 174 ASN A C 1 -ATOM 1410 O O . ASN A 1 174 ? 9.668 17.102 40.639 1.00 46.86 ? 174 ASN A O 1 -ATOM 1411 C CB . ASN A 1 174 ? 7.939 18.755 38.580 1.00 48.97 ? 174 ASN A CB 1 -ATOM 1412 C CG . ASN A 1 174 ? 6.661 18.978 37.780 1.00 50.90 ? 174 ASN A CG 1 -ATOM 1413 O OD1 . ASN A 1 174 ? 6.550 19.950 37.031 1.00 55.15 ? 174 ASN A OD1 1 -ATOM 1414 N ND2 . ASN A 1 174 ? 5.691 18.088 37.937 1.00 50.55 ? 174 ASN A ND2 1 -ATOM 1415 N N . GLY A 1 175 ? 9.396 19.178 41.471 1.00 45.11 ? 175 GLY A N 1 -ATOM 1416 C CA . GLY A 1 175 ? 10.650 19.154 42.204 1.00 50.30 ? 175 GLY A CA 1 -ATOM 1417 C C . GLY A 1 175 ? 10.484 18.859 43.688 1.00 52.79 ? 175 GLY A C 1 -ATOM 1418 O O . GLY A 1 175 ? 11.427 19.024 44.471 1.00 51.17 ? 175 GLY A O 1 -ATOM 1419 N N . LYS A 1 176 ? 9.305 18.364 44.053 1.00 52.16 ? 176 LYS A N 1 -ATOM 1420 C CA . LYS A 1 176 ? 8.945 18.043 45.428 1.00 58.43 ? 176 LYS A CA 1 -ATOM 1421 C C . LYS A 1 176 ? 10.107 17.683 46.347 1.00 60.18 ? 176 LYS A C 1 -ATOM 1422 O O . LYS A 1 176 ? 10.447 18.450 47.254 1.00 62.70 ? 176 LYS A O 1 -ATOM 1423 C CB . LYS A 1 176 ? 7.915 16.916 45.435 1.00 62.46 ? 176 LYS A CB 1 -ATOM 1424 C CG . LYS A 1 176 ? 7.213 16.693 46.774 1.00 65.61 ? 176 LYS A CG 1 -ATOM 1425 C CD . LYS A 1 176 ? 6.132 15.621 46.630 1.00 69.31 ? 176 LYS A CD 1 -ATOM 1426 C CE . LYS A 1 176 ? 5.202 15.582 47.831 1.00 72.32 ? 176 LYS A CE 1 -ATOM 1427 N NZ . LYS A 1 176 ? 3.999 14.744 47.565 1.00 68.47 ? 176 LYS A NZ 1 -ATOM 1428 N N . GLU A 1 177 ? 10.743 16.548 46.068 1.00 58.52 ? 177 GLU A N 1 -ATOM 1429 C CA . GLU A 1 177 ? 11.850 16.075 46.882 1.00 53.22 ? 177 GLU A CA 1 -ATOM 1430 C C . GLU A 1 177 ? 12.915 17.100 47.214 1.00 50.45 ? 177 GLU A C 1 -ATOM 1431 O O . GLU A 1 177 ? 13.388 17.142 48.345 1.00 47.86 ? 177 GLU A O 1 -ATOM 1432 N N . THR A 1 178 ? 13.306 17.904 46.229 1.00 48.17 ? 178 THR A N 1 -ATOM 1433 C CA . THR A 1 178 ? 14.332 18.920 46.429 1.00 50.94 ? 178 THR A CA 1 -ATOM 1434 C C . THR A 1 178 ? 13.796 20.208 47.049 1.00 52.73 ? 178 THR A C 1 -ATOM 1435 O O . THR A 1 178 ? 14.287 20.673 48.080 1.00 56.83 ? 178 THR A O 1 -ATOM 1436 C CB . THR A 1 178 ? 15.023 19.298 45.084 1.00 52.55 ? 178 THR A CB 1 -ATOM 1437 O OG1 . THR A 1 178 ? 15.734 18.166 44.572 1.00 55.39 ? 178 THR A OG1 1 -ATOM 1438 C CG2 . THR A 1 178 ? 15.998 20.472 45.257 1.00 50.19 ? 178 THR A CG2 1 -ATOM 1439 N N . LEU A 1 179 ? 12.799 20.791 46.398 1.00 51.21 ? 179 LEU A N 1 -ATOM 1440 C CA . LEU A 1 179 ? 12.226 22.058 46.832 1.00 46.68 ? 179 LEU A CA 1 -ATOM 1441 C C . LEU A 1 179 ? 11.506 22.066 48.168 1.00 45.03 ? 179 LEU A C 1 -ATOM 1442 O O . LEU A 1 179 ? 11.686 22.987 48.969 1.00 43.43 ? 179 LEU A O 1 -ATOM 1443 C CB . LEU A 1 179 ? 11.304 22.590 45.740 1.00 44.15 ? 179 LEU A CB 1 -ATOM 1444 C CG . LEU A 1 179 ? 12.016 22.763 44.405 1.00 42.03 ? 179 LEU A CG 1 -ATOM 1445 C CD1 . LEU A 1 179 ? 11.023 23.204 43.342 1.00 46.71 ? 179 LEU A CD1 1 -ATOM 1446 C CD2 . LEU A 1 179 ? 13.145 23.769 44.579 1.00 34.31 ? 179 LEU A CD2 1 -ATOM 1447 N N . GLN A 1 180 ? 10.661 21.071 48.396 1.00 44.13 ? 180 GLN A N 1 -ATOM 1448 C CA . GLN A 1 180 ? 9.909 21.009 49.636 1.00 47.24 ? 180 GLN A CA 1 -ATOM 1449 C C . GLN A 1 180 ? 10.678 20.278 50.744 1.00 49.52 ? 180 GLN A C 1 -ATOM 1450 O O . GLN A 1 180 ? 10.211 19.273 51.291 1.00 50.99 ? 180 GLN A O 1 -ATOM 1451 C CB . GLN A 1 180 ? 8.548 20.369 49.370 1.00 47.73 ? 180 GLN A CB 1 -ATOM 1452 C CG . GLN A 1 180 ? 7.662 21.193 48.464 1.00 46.29 ? 180 GLN A CG 1 -ATOM 1453 C CD . GLN A 1 180 ? 6.260 20.643 48.381 1.00 55.18 ? 180 GLN A CD 1 -ATOM 1454 O OE1 . GLN A 1 180 ? 5.749 20.388 47.294 1.00 62.17 ? 180 GLN A OE1 1 -ATOM 1455 N NE2 . GLN A 1 180 ? 5.630 20.441 49.535 1.00 58.78 ? 180 GLN A NE2 1 -ATOM 1456 N N . ARG A 1 181 ? 11.854 20.796 51.084 1.00 49.29 ? 181 ARG A N 1 -ATOM 1457 C CA . ARG A 1 181 ? 12.672 20.175 52.116 1.00 47.24 ? 181 ARG A CA 1 -ATOM 1458 C C . ARG A 1 181 ? 13.319 21.190 53.052 1.00 45.77 ? 181 ARG A C 1 -ATOM 1459 O O . ARG A 1 181 ? 13.522 22.362 52.702 1.00 39.32 ? 181 ARG A O 1 -ATOM 1460 C CB . ARG A 1 181 ? 13.752 19.279 51.498 1.00 46.81 ? 181 ARG A CB 1 -ATOM 1461 C CG . ARG A 1 181 ? 15.029 20.011 51.114 1.00 51.99 ? 181 ARG A CG 1 -ATOM 1462 C CD . ARG A 1 181 ? 16.052 19.070 50.512 1.00 57.90 ? 181 ARG A CD 1 -ATOM 1463 N NE . ARG A 1 181 ? 17.378 19.682 50.477 1.00 63.94 ? 181 ARG A NE 1 -ATOM 1464 C CZ . ARG A 1 181 ? 17.726 20.702 49.696 1.00 65.10 ? 181 ARG A CZ 1 -ATOM 1465 N NH1 . ARG A 1 181 ? 16.846 21.248 48.864 1.00 60.87 ? 181 ARG A NH1 1 -ATOM 1466 N NH2 . ARG A 1 181 ? 18.969 21.168 49.741 1.00 65.16 ? 181 ARG A NH2 1 -ATOM 1467 N N . THR A 1 182 ? 13.662 20.691 54.235 1.00 46.69 ? 182 THR A N 1 -ATOM 1468 C CA . THR A 1 182 ? 14.289 21.478 55.272 1.00 47.41 ? 182 THR A CA 1 -ATOM 1469 C C . THR A 1 182 ? 15.373 20.681 55.966 1.00 46.61 ? 182 THR A C 1 -ATOM 1470 O O . THR A 1 182 ? 15.098 19.755 56.730 1.00 50.82 ? 182 THR A O 1 -ATOM 1471 C CB . THR A 1 182 ? 13.274 21.912 56.327 1.00 49.37 ? 182 THR A CB 1 -ATOM 1472 O OG1 . THR A 1 182 ? 12.231 22.674 55.703 1.00 54.13 ? 182 THR A OG1 1 -ATOM 1473 C CG2 . THR A 1 182 ? 13.954 22.753 57.385 1.00 51.16 ? 182 THR A CG2 1 -ATOM 1474 N N . ASP A 1 183 ? 16.612 21.031 55.661 1.00 48.04 ? 183 ASP A N 1 -ATOM 1475 C CA . ASP A 1 183 ? 17.768 20.399 56.263 1.00 46.03 ? 183 ASP A CA 1 -ATOM 1476 C C . ASP A 1 183 ? 18.209 21.328 57.395 1.00 44.61 ? 183 ASP A C 1 -ATOM 1477 O O . ASP A 1 183 ? 18.564 22.487 57.156 1.00 44.63 ? 183 ASP A O 1 -ATOM 1478 C CB . ASP A 1 183 ? 18.883 20.250 55.224 1.00 48.60 ? 183 ASP A CB 1 -ATOM 1479 C CG . ASP A 1 183 ? 18.535 19.252 54.124 1.00 55.68 ? 183 ASP A CG 1 -ATOM 1480 O OD1 . ASP A 1 183 ? 17.521 18.529 54.266 1.00 58.30 ? 183 ASP A OD1 1 -ATOM 1481 O OD2 . ASP A 1 183 ? 19.286 19.180 53.121 1.00 60.96 ? 183 ASP A OD2 1 -ATOM 1482 N N . ALA A 1 184 ? 18.087 20.862 58.632 1.00 40.60 ? 184 ALA A N 1 -ATOM 1483 C CA . ALA A 1 184 ? 18.486 21.677 59.776 1.00 37.27 ? 184 ALA A CA 1 -ATOM 1484 C C . ALA A 1 184 ? 20.006 21.701 59.837 1.00 33.05 ? 184 ALA A C 1 -ATOM 1485 O O . ALA A 1 184 ? 20.674 20.826 59.291 1.00 33.98 ? 184 ALA A O 1 -ATOM 1486 C CB . ALA A 1 184 ? 17.896 21.122 61.082 1.00 41.27 ? 184 ALA A CB 1 -ATOM 1487 N N . PRO A 1 185 ? 20.572 22.722 60.482 1.00 30.20 ? 185 PRO A N 1 -ATOM 1488 C CA . PRO A 1 185 ? 22.028 22.791 60.565 1.00 33.72 ? 185 PRO A CA 1 -ATOM 1489 C C . PRO A 1 185 ? 22.674 21.789 61.524 1.00 38.84 ? 185 PRO A C 1 -ATOM 1490 O O . PRO A 1 185 ? 22.141 21.489 62.601 1.00 36.40 ? 185 PRO A O 1 -ATOM 1491 C CB . PRO A 1 185 ? 22.272 24.240 60.981 1.00 32.85 ? 185 PRO A CB 1 -ATOM 1492 C CG . PRO A 1 185 ? 21.064 24.563 61.801 1.00 32.15 ? 185 PRO A CG 1 -ATOM 1493 C CD . PRO A 1 185 ? 19.939 23.920 61.052 1.00 30.30 ? 185 PRO A CD 1 -ATOM 1494 N N . LYS A 1 186 ? 23.777 21.207 61.063 1.00 39.54 ? 186 LYS A N 1 -ATOM 1495 C CA . LYS A 1 186 ? 24.557 20.267 61.849 1.00 43.53 ? 186 LYS A CA 1 -ATOM 1496 C C . LYS A 1 186 ? 25.615 21.163 62.482 1.00 42.99 ? 186 LYS A C 1 -ATOM 1497 O O . LYS A 1 186 ? 26.587 21.563 61.835 1.00 42.63 ? 186 LYS A O 1 -ATOM 1498 C CB . LYS A 1 186 ? 25.225 19.214 60.960 1.00 44.25 ? 186 LYS A CB 1 -ATOM 1499 C CG . LYS A 1 186 ? 24.298 18.226 60.270 1.00 44.19 ? 186 LYS A CG 1 -ATOM 1500 C CD . LYS A 1 186 ? 25.134 17.329 59.364 1.00 55.05 ? 186 LYS A CD 1 -ATOM 1501 C CE . LYS A 1 186 ? 24.301 16.590 58.317 1.00 64.44 ? 186 LYS A CE 1 -ATOM 1502 N NZ . LYS A 1 186 ? 25.156 16.192 57.141 1.00 64.23 ? 186 LYS A NZ 1 -ATOM 1503 N N . THR A 1 187 ? 25.394 21.502 63.742 1.00 43.83 ? 187 THR A N 1 -ATOM 1504 C CA . THR A 1 187 ? 26.269 22.389 64.487 1.00 40.53 ? 187 THR A CA 1 -ATOM 1505 C C . THR A 1 187 ? 27.350 21.689 65.317 1.00 39.16 ? 187 THR A C 1 -ATOM 1506 O O . THR A 1 187 ? 27.317 20.466 65.490 1.00 36.78 ? 187 THR A O 1 -ATOM 1507 C CB . THR A 1 187 ? 25.397 23.283 65.389 1.00 43.36 ? 187 THR A CB 1 -ATOM 1508 O OG1 . THR A 1 187 ? 24.362 22.484 65.991 1.00 43.38 ? 187 THR A OG1 1 -ATOM 1509 C CG2 . THR A 1 187 ? 24.732 24.379 64.564 1.00 40.64 ? 187 THR A CG2 1 -ATOM 1510 N N . HIS A 1 188 ? 28.347 22.470 65.749 1.00 38.35 ? 188 HIS A N 1 -ATOM 1511 C CA . HIS A 1 188 ? 29.461 22.002 66.595 1.00 34.02 ? 188 HIS A CA 1 -ATOM 1512 C C . HIS A 1 188 ? 30.331 23.208 66.935 1.00 31.83 ? 188 HIS A C 1 -ATOM 1513 O O . HIS A 1 188 ? 30.122 24.273 66.370 1.00 34.03 ? 188 HIS A O 1 -ATOM 1514 C CB . HIS A 1 188 ? 30.284 20.899 65.915 1.00 36.88 ? 188 HIS A CB 1 -ATOM 1515 C CG . HIS A 1 188 ? 31.216 21.387 64.848 1.00 37.59 ? 188 HIS A CG 1 -ATOM 1516 N ND1 . HIS A 1 188 ? 30.779 21.878 63.638 1.00 36.38 ? 188 HIS A ND1 1 -ATOM 1517 C CD2 . HIS A 1 188 ? 32.569 21.435 64.806 1.00 35.57 ? 188 HIS A CD2 1 -ATOM 1518 C CE1 . HIS A 1 188 ? 31.821 22.209 62.895 1.00 32.68 ? 188 HIS A CE1 1 -ATOM 1519 N NE2 . HIS A 1 188 ? 32.918 21.950 63.583 1.00 31.95 ? 188 HIS A NE2 1 -ATOM 1520 N N . MET A 1 189 ? 31.322 23.047 67.809 1.00 32.67 ? 189 MET A N 1 -ATOM 1521 C CA . MET A 1 189 ? 32.170 24.173 68.198 1.00 27.82 ? 189 MET A CA 1 -ATOM 1522 C C . MET A 1 189 ? 33.661 23.862 68.217 1.00 28.34 ? 189 MET A C 1 -ATOM 1523 O O . MET A 1 189 ? 34.064 22.744 68.524 1.00 26.56 ? 189 MET A O 1 -ATOM 1524 C CB . MET A 1 189 ? 31.735 24.691 69.575 1.00 31.45 ? 189 MET A CB 1 -ATOM 1525 C CG . MET A 1 189 ? 32.270 26.078 69.930 1.00 40.52 ? 189 MET A CG 1 -ATOM 1526 S SD . MET A 1 189 ? 31.619 26.778 71.488 1.00 42.33 ? 189 MET A SD 1 -ATOM 1527 C CE . MET A 1 189 ? 29.924 26.480 71.320 1.00 39.54 ? 189 MET A CE 1 -ATOM 1528 N N . THR A 1 190 ? 34.473 24.827 67.792 1.00 33.73 ? 190 THR A N 1 -ATOM 1529 C CA . THR A 1 190 ? 35.923 24.670 67.812 1.00 37.23 ? 190 THR A CA 1 -ATOM 1530 C C . THR A 1 190 ? 36.573 25.719 68.740 1.00 36.55 ? 190 THR A C 1 -ATOM 1531 O O . THR A 1 190 ? 35.939 26.705 69.156 1.00 31.48 ? 190 THR A O 1 -ATOM 1532 C CB . THR A 1 190 ? 36.584 24.634 66.368 1.00 40.87 ? 190 THR A CB 1 -ATOM 1533 O OG1 . THR A 1 190 ? 36.399 25.880 65.670 1.00 44.65 ? 190 THR A OG1 1 -ATOM 1534 C CG2 . THR A 1 190 ? 35.995 23.502 65.552 1.00 36.57 ? 190 THR A CG2 1 -ATOM 1535 N N . HIS A 1 191 ? 37.838 25.485 69.069 1.00 34.82 ? 191 HIS A N 1 -ATOM 1536 C CA . HIS A 1 191 ? 38.584 26.339 69.973 1.00 32.17 ? 191 HIS A CA 1 -ATOM 1537 C C . HIS A 1 191 ? 39.979 26.575 69.410 1.00 34.82 ? 191 HIS A C 1 -ATOM 1538 O O . HIS A 1 191 ? 40.796 25.661 69.346 1.00 41.03 ? 191 HIS A O 1 -ATOM 1539 C CB . HIS A 1 191 ? 38.668 25.620 71.331 1.00 29.67 ? 191 HIS A CB 1 -ATOM 1540 C CG . HIS A 1 191 ? 39.388 26.383 72.396 1.00 24.92 ? 191 HIS A CG 1 -ATOM 1541 N ND1 . HIS A 1 191 ? 40.740 26.238 72.642 1.00 24.39 ? 191 HIS A ND1 1 -ATOM 1542 C CD2 . HIS A 1 191 ? 38.938 27.275 73.304 1.00 21.71 ? 191 HIS A CD2 1 -ATOM 1543 C CE1 . HIS A 1 191 ? 41.089 27.008 73.654 1.00 22.63 ? 191 HIS A CE1 1 -ATOM 1544 N NE2 . HIS A 1 191 ? 40.013 27.649 74.074 1.00 33.51 ? 191 HIS A NE2 1 -ATOM 1545 N N . HIS A 1 192 ? 40.231 27.787 68.945 1.00 41.15 ? 192 HIS A N 1 -ATOM 1546 C CA . HIS A 1 192 ? 41.537 28.120 68.409 1.00 45.22 ? 192 HIS A CA 1 -ATOM 1547 C C . HIS A 1 192 ? 42.220 29.029 69.414 1.00 49.03 ? 192 HIS A C 1 -ATOM 1548 O O . HIS A 1 192 ? 41.545 29.696 70.200 1.00 51.26 ? 192 HIS A O 1 -ATOM 1549 N N . ALA A 1 193 ? 43.546 29.025 69.433 1.00 51.89 ? 193 ALA A N 1 -ATOM 1550 C CA . ALA A 1 193 ? 44.306 29.866 70.354 1.00 55.24 ? 193 ALA A CA 1 -ATOM 1551 C C . ALA A 1 193 ? 45.764 29.867 69.937 1.00 57.13 ? 193 ALA A C 1 -ATOM 1552 O O . ALA A 1 193 ? 46.360 28.811 69.727 1.00 57.16 ? 193 ALA A O 1 -ATOM 1553 C CB . ALA A 1 193 ? 44.178 29.341 71.778 1.00 54.79 ? 193 ALA A CB 1 -ATOM 1554 N N . VAL A 1 194 ? 46.328 31.053 69.775 1.00 61.37 ? 194 VAL A N 1 -ATOM 1555 C CA . VAL A 1 194 ? 47.728 31.176 69.379 1.00 65.95 ? 194 VAL A CA 1 -ATOM 1556 C C . VAL A 1 194 ? 48.501 31.950 70.448 1.00 66.72 ? 194 VAL A C 1 -ATOM 1557 O O . VAL A 1 194 ? 49.686 32.251 70.287 1.00 63.69 ? 194 VAL A O 1 -ATOM 1558 C CB . VAL A 1 194 ? 47.839 31.865 67.997 1.00 70.79 ? 194 VAL A CB 1 -ATOM 1559 C CG1 . VAL A 1 194 ? 49.293 31.970 67.554 1.00 73.89 ? 194 VAL A CG1 1 -ATOM 1560 C CG2 . VAL A 1 194 ? 47.035 31.079 66.963 1.00 73.04 ? 194 VAL A CG2 1 -ATOM 1561 N N . SER A 1 195 ? 47.828 32.208 71.568 1.00 72.16 ? 195 SER A N 1 -ATOM 1562 C CA . SER A 1 195 ? 48.414 32.937 72.692 1.00 76.41 ? 195 SER A CA 1 -ATOM 1563 C C . SER A 1 195 ? 48.003 32.328 74.036 1.00 76.75 ? 195 SER A C 1 -ATOM 1564 O O . SER A 1 195 ? 47.003 31.607 74.126 1.00 75.80 ? 195 SER A O 1 -ATOM 1565 C CB . SER A 1 195 ? 48.008 34.416 72.646 1.00 79.09 ? 195 SER A CB 1 -ATOM 1566 O OG . SER A 1 195 ? 48.466 35.119 73.796 1.00 81.00 ? 195 SER A OG 1 -ATOM 1567 N N . ASP A 1 196 ? 48.759 32.658 75.081 1.00 75.45 ? 196 ASP A N 1 -ATOM 1568 C CA . ASP A 1 196 ? 48.489 32.144 76.414 1.00 73.57 ? 196 ASP A CA 1 -ATOM 1569 C C . ASP A 1 196 ? 47.580 33.006 77.275 1.00 70.34 ? 196 ASP A C 1 -ATOM 1570 O O . ASP A 1 196 ? 47.752 33.072 78.492 1.00 70.67 ? 196 ASP A O 1 -ATOM 1571 C CB . ASP A 1 196 ? 49.794 31.850 77.148 1.00 75.18 ? 196 ASP A CB 1 -ATOM 1572 C CG . ASP A 1 196 ? 49.922 30.385 77.524 1.00 81.34 ? 196 ASP A CG 1 -ATOM 1573 O OD1 . ASP A 1 196 ? 49.707 29.518 76.646 1.00 84.19 ? 196 ASP A OD1 1 -ATOM 1574 O OD2 . ASP A 1 196 ? 50.224 30.091 78.699 1.00 84.84 ? 196 ASP A OD2 1 -ATOM 1575 N N . HIS A 1 197 ? 46.615 33.668 76.644 1.00 65.64 ? 197 HIS A N 1 -ATOM 1576 C CA . HIS A 1 197 ? 45.663 34.497 77.373 1.00 63.57 ? 197 HIS A CA 1 -ATOM 1577 C C . HIS A 1 197 ? 44.363 34.687 76.609 1.00 58.45 ? 197 HIS A C 1 -ATOM 1578 O O . HIS A 1 197 ? 43.343 35.014 77.204 1.00 58.25 ? 197 HIS A O 1 -ATOM 1579 C CB . HIS A 1 197 ? 46.270 35.857 77.765 1.00 70.21 ? 197 HIS A CB 1 -ATOM 1580 C CG . HIS A 1 197 ? 46.411 36.827 76.631 1.00 77.99 ? 197 HIS A CG 1 -ATOM 1581 N ND1 . HIS A 1 197 ? 47.371 36.701 75.650 1.00 81.33 ? 197 HIS A ND1 1 -ATOM 1582 C CD2 . HIS A 1 197 ? 45.733 37.968 76.344 1.00 81.07 ? 197 HIS A CD2 1 -ATOM 1583 C CE1 . HIS A 1 197 ? 47.280 37.716 74.808 1.00 79.97 ? 197 HIS A CE1 1 -ATOM 1584 N NE2 . HIS A 1 197 ? 46.293 38.499 75.208 1.00 81.39 ? 197 HIS A NE2 1 -ATOM 1585 N N . GLU A 1 198 ? 44.409 34.452 75.297 1.00 54.78 ? 198 GLU A N 1 -ATOM 1586 C CA . GLU A 1 198 ? 43.255 34.595 74.409 1.00 47.53 ? 198 GLU A CA 1 -ATOM 1587 C C . GLU A 1 198 ? 43.106 33.372 73.528 1.00 44.95 ? 198 GLU A C 1 -ATOM 1588 O O . GLU A 1 198 ? 44.071 32.921 72.894 1.00 44.62 ? 198 GLU A O 1 -ATOM 1589 C CB . GLU A 1 198 ? 43.408 35.816 73.494 1.00 47.17 ? 198 GLU A CB 1 -ATOM 1590 C CG . GLU A 1 198 ? 42.947 37.133 74.094 1.00 52.74 ? 198 GLU A CG 1 -ATOM 1591 C CD . GLU A 1 198 ? 43.024 38.295 73.115 1.00 54.99 ? 198 GLU A CD 1 -ATOM 1592 O OE1 . GLU A 1 198 ? 44.028 38.409 72.373 1.00 50.92 ? 198 GLU A OE1 1 -ATOM 1593 O OE2 . GLU A 1 198 ? 42.067 39.100 73.105 1.00 57.87 ? 198 GLU A OE2 1 -ATOM 1594 N N . ALA A 1 199 ? 41.880 32.870 73.463 1.00 41.22 ? 199 ALA A N 1 -ATOM 1595 C CA . ALA A 1 199 ? 41.539 31.710 72.649 1.00 38.63 ? 199 ALA A CA 1 -ATOM 1596 C C . ALA A 1 199 ? 40.272 32.078 71.893 1.00 37.22 ? 199 ALA A C 1 -ATOM 1597 O O . ALA A 1 199 ? 39.332 32.607 72.482 1.00 39.22 ? 199 ALA A O 1 -ATOM 1598 C CB . ALA A 1 199 ? 41.289 30.493 73.531 1.00 37.27 ? 199 ALA A CB 1 -ATOM 1599 N N . THR A 1 200 ? 40.260 31.826 70.591 1.00 34.59 ? 200 THR A N 1 -ATOM 1600 C CA . THR A 1 200 ? 39.109 32.134 69.762 1.00 34.82 ? 200 THR A CA 1 -ATOM 1601 C C . THR A 1 200 ? 38.145 30.959 69.749 1.00 32.29 ? 200 THR A C 1 -ATOM 1602 O O . THR A 1 200 ? 38.542 29.826 69.476 1.00 30.94 ? 200 THR A O 1 -ATOM 1603 C CB . THR A 1 200 ? 39.557 32.450 68.326 1.00 42.76 ? 200 THR A CB 1 -ATOM 1604 O OG1 . THR A 1 200 ? 40.622 33.415 68.360 1.00 48.66 ? 200 THR A OG1 1 -ATOM 1605 C CG2 . THR A 1 200 ? 38.390 33.010 67.505 1.00 43.16 ? 200 THR A CG2 1 -ATOM 1606 N N . LEU A 1 201 ? 36.879 31.235 70.033 1.00 26.65 ? 201 LEU A N 1 -ATOM 1607 C CA . LEU A 1 201 ? 35.850 30.206 70.076 1.00 30.30 ? 201 LEU A CA 1 -ATOM 1608 C C . LEU A 1 201 ? 34.922 30.358 68.858 1.00 34.31 ? 201 LEU A C 1 -ATOM 1609 O O . LEU A 1 201 ? 34.178 31.349 68.775 1.00 35.59 ? 201 LEU A O 1 -ATOM 1610 C CB . LEU A 1 201 ? 35.056 30.384 71.368 1.00 27.92 ? 201 LEU A CB 1 -ATOM 1611 C CG . LEU A 1 201 ? 34.693 29.196 72.253 1.00 22.60 ? 201 LEU A CG 1 -ATOM 1612 C CD1 . LEU A 1 201 ? 35.919 28.443 72.703 1.00 17.54 ? 201 LEU A CD1 1 -ATOM 1613 C CD2 . LEU A 1 201 ? 33.971 29.767 73.446 1.00 20.61 ? 201 LEU A CD2 1 -ATOM 1614 N N . ARG A 1 202 ? 34.948 29.382 67.937 1.00 31.37 ? 202 ARG A N 1 -ATOM 1615 C CA . ARG A 1 202 ? 34.134 29.419 66.705 1.00 25.69 ? 202 ARG A CA 1 -ATOM 1616 C C . ARG A 1 202 ? 32.967 28.445 66.714 1.00 22.71 ? 202 ARG A C 1 -ATOM 1617 O O . ARG A 1 202 ? 33.151 27.257 66.913 1.00 28.11 ? 202 ARG A O 1 -ATOM 1618 C CB . ARG A 1 202 ? 35.017 29.145 65.485 1.00 28.04 ? 202 ARG A CB 1 -ATOM 1619 C CG . ARG A 1 202 ? 34.299 29.201 64.128 1.00 33.03 ? 202 ARG A CG 1 -ATOM 1620 C CD . ARG A 1 202 ? 35.294 29.338 62.960 1.00 33.00 ? 202 ARG A CD 1 -ATOM 1621 N NE . ARG A 1 202 ? 36.001 30.625 63.004 1.00 37.79 ? 202 ARG A NE 1 -ATOM 1622 C CZ . ARG A 1 202 ? 37.326 30.767 63.029 1.00 38.77 ? 202 ARG A CZ 1 -ATOM 1623 N NH1 . ARG A 1 202 ? 38.119 29.702 63.008 1.00 40.22 ? 202 ARG A NH1 1 -ATOM 1624 N NH2 . ARG A 1 202 ? 37.866 31.979 63.100 1.00 36.20 ? 202 ARG A NH2 1 -ATOM 1625 N N . CYS A 1 203 ? 31.768 28.951 66.466 1.00 19.09 ? 203 CYS A N 1 -ATOM 1626 C CA . CYS A 1 203 ? 30.557 28.142 66.462 1.00 21.27 ? 203 CYS A CA 1 -ATOM 1627 C C . CYS A 1 203 ? 30.074 27.955 65.035 1.00 26.51 ? 203 CYS A C 1 -ATOM 1628 O O . CYS A 1 203 ? 29.844 28.934 64.333 1.00 31.47 ? 203 CYS A O 1 -ATOM 1629 C CB . CYS A 1 203 ? 29.490 28.838 67.280 1.00 20.91 ? 203 CYS A CB 1 -ATOM 1630 S SG . CYS A 1 203 ? 27.855 28.076 67.163 1.00 36.86 ? 203 CYS A SG 1 -ATOM 1631 N N . TRP A 1 204 ? 29.871 26.702 64.630 1.00 30.54 ? 204 TRP A N 1 -ATOM 1632 C CA . TRP A 1 204 ? 29.473 26.369 63.260 1.00 27.85 ? 204 TRP A CA 1 -ATOM 1633 C C . TRP A 1 204 ? 28.055 25.927 62.977 1.00 27.06 ? 204 TRP A C 1 -ATOM 1634 O O . TRP A 1 204 ? 27.399 25.310 63.800 1.00 29.48 ? 204 TRP A O 1 -ATOM 1635 C CB . TRP A 1 204 ? 30.365 25.260 62.723 1.00 25.87 ? 204 TRP A CB 1 -ATOM 1636 C CG . TRP A 1 204 ? 31.782 25.603 62.611 1.00 28.19 ? 204 TRP A CG 1 -ATOM 1637 C CD1 . TRP A 1 204 ? 32.671 25.732 63.624 1.00 32.60 ? 204 TRP A CD1 1 -ATOM 1638 C CD2 . TRP A 1 204 ? 32.513 25.798 61.403 1.00 34.29 ? 204 TRP A CD2 1 -ATOM 1639 N NE1 . TRP A 1 204 ? 33.923 25.993 63.128 1.00 38.36 ? 204 TRP A NE1 1 -ATOM 1640 C CE2 . TRP A 1 204 ? 33.856 26.036 61.763 1.00 39.39 ? 204 TRP A CE2 1 -ATOM 1641 C CE3 . TRP A 1 204 ? 32.165 25.789 60.045 1.00 35.29 ? 204 TRP A CE3 1 -ATOM 1642 C CZ2 . TRP A 1 204 ? 34.856 26.262 60.818 1.00 45.03 ? 204 TRP A CZ2 1 -ATOM 1643 C CZ3 . TRP A 1 204 ? 33.150 26.012 59.109 1.00 38.75 ? 204 TRP A CZ3 1 -ATOM 1644 C CH2 . TRP A 1 204 ? 34.485 26.246 59.496 1.00 44.04 ? 204 TRP A CH2 1 -ATOM 1645 N N . ALA A 1 205 ? 27.667 26.115 61.725 1.00 27.66 ? 205 ALA A N 1 -ATOM 1646 C CA . ALA A 1 205 ? 26.370 25.705 61.222 1.00 27.66 ? 205 ALA A CA 1 -ATOM 1647 C C . ALA A 1 205 ? 26.652 25.241 59.777 1.00 32.71 ? 205 ALA A C 1 -ATOM 1648 O O . ALA A 1 205 ? 27.097 26.029 58.927 1.00 33.59 ? 205 ALA A O 1 -ATOM 1649 C CB . ALA A 1 205 ? 25.404 26.866 61.255 1.00 22.35 ? 205 ALA A CB 1 -ATOM 1650 N N . LEU A 1 206 ? 26.493 23.944 59.528 1.00 31.28 ? 206 LEU A N 1 -ATOM 1651 C CA . LEU A 1 206 ? 26.752 23.388 58.204 1.00 30.09 ? 206 LEU A CA 1 -ATOM 1652 C C . LEU A 1 206 ? 25.585 22.546 57.682 1.00 29.36 ? 206 LEU A C 1 -ATOM 1653 O O . LEU A 1 206 ? 24.664 22.230 58.431 1.00 28.76 ? 206 LEU A O 1 -ATOM 1654 C CB . LEU A 1 206 ? 28.006 22.523 58.243 1.00 29.24 ? 206 LEU A CB 1 -ATOM 1655 C CG . LEU A 1 206 ? 29.235 23.120 58.920 1.00 33.69 ? 206 LEU A CG 1 -ATOM 1656 C CD1 . LEU A 1 206 ? 30.357 22.084 59.025 1.00 37.70 ? 206 LEU A CD1 1 -ATOM 1657 C CD2 . LEU A 1 206 ? 29.688 24.338 58.160 1.00 33.25 ? 206 LEU A CD2 1 -ATOM 1658 N N . SER A 1 207 ? 25.623 22.235 56.386 1.00 30.11 ? 207 SER A N 1 -ATOM 1659 C CA . SER A 1 207 ? 24.620 21.420 55.702 1.00 29.47 ? 207 SER A CA 1 -ATOM 1660 C C . SER A 1 207 ? 23.159 21.796 55.950 1.00 24.30 ? 207 SER A C 1 -ATOM 1661 O O . SER A 1 207 ? 22.298 20.917 56.046 1.00 23.58 ? 207 SER A O 1 -ATOM 1662 C CB . SER A 1 207 ? 24.846 19.948 56.044 1.00 35.35 ? 207 SER A CB 1 -ATOM 1663 O OG . SER A 1 207 ? 26.234 19.643 55.992 1.00 49.11 ? 207 SER A OG 1 -ATOM 1664 N N . PHE A 1 208 ? 22.881 23.095 56.019 1.00 20.35 ? 208 PHE A N 1 -ATOM 1665 C CA . PHE A 1 208 ? 21.523 23.560 56.252 1.00 18.50 ? 208 PHE A CA 1 -ATOM 1666 C C . PHE A 1 208 ? 20.896 24.155 55.014 1.00 24.74 ? 208 PHE A C 1 -ATOM 1667 O O . PHE A 1 208 ? 21.593 24.668 54.132 1.00 23.98 ? 208 PHE A O 1 -ATOM 1668 C CB . PHE A 1 208 ? 21.462 24.563 57.400 1.00 19.69 ? 208 PHE A CB 1 -ATOM 1669 C CG . PHE A 1 208 ? 22.264 25.810 57.173 1.00 23.09 ? 208 PHE A CG 1 -ATOM 1670 C CD1 . PHE A 1 208 ? 21.709 26.897 56.502 1.00 26.01 ? 208 PHE A CD1 1 -ATOM 1671 C CD2 . PHE A 1 208 ? 23.561 25.911 57.656 1.00 24.50 ? 208 PHE A CD2 1 -ATOM 1672 C CE1 . PHE A 1 208 ? 22.432 28.065 56.317 1.00 18.89 ? 208 PHE A CE1 1 -ATOM 1673 C CE2 . PHE A 1 208 ? 24.297 27.075 57.478 1.00 26.12 ? 208 PHE A CE2 1 -ATOM 1674 C CZ . PHE A 1 208 ? 23.729 28.154 56.807 1.00 28.34 ? 208 PHE A CZ 1 -ATOM 1675 N N . TYR A 1 209 ? 19.575 24.029 54.950 1.00 28.51 ? 209 TYR A N 1 -ATOM 1676 C CA . TYR A 1 209 ? 18.764 24.521 53.850 1.00 28.82 ? 209 TYR A CA 1 -ATOM 1677 C C . TYR A 1 209 ? 17.360 24.704 54.399 1.00 32.95 ? 209 TYR A C 1 -ATOM 1678 O O . TYR A 1 209 ? 16.875 23.869 55.159 1.00 35.34 ? 209 TYR A O 1 -ATOM 1679 C CB . TYR A 1 209 ? 18.711 23.515 52.689 1.00 31.67 ? 209 TYR A CB 1 -ATOM 1680 C CG . TYR A 1 209 ? 17.949 24.057 51.486 1.00 28.02 ? 209 TYR A CG 1 -ATOM 1681 C CD1 . TYR A 1 209 ? 18.599 24.824 50.509 1.00 25.75 ? 209 TYR A CD1 1 -ATOM 1682 C CD2 . TYR A 1 209 ? 16.563 23.906 51.388 1.00 25.93 ? 209 TYR A CD2 1 -ATOM 1683 C CE1 . TYR A 1 209 ? 17.882 25.435 49.476 1.00 31.58 ? 209 TYR A CE1 1 -ATOM 1684 C CE2 . TYR A 1 209 ? 15.842 24.515 50.363 1.00 34.32 ? 209 TYR A CE2 1 -ATOM 1685 C CZ . TYR A 1 209 ? 16.503 25.288 49.411 1.00 30.45 ? 209 TYR A CZ 1 -ATOM 1686 O OH . TYR A 1 209 ? 15.765 25.959 48.448 1.00 24.10 ? 209 TYR A OH 1 -ATOM 1687 N N . PRO A 1 210 ? 16.698 25.817 54.057 1.00 32.61 ? 210 PRO A N 1 -ATOM 1688 C CA . PRO A 1 210 ? 17.175 26.930 53.234 1.00 30.71 ? 210 PRO A CA 1 -ATOM 1689 C C . PRO A 1 210 ? 18.345 27.684 53.833 1.00 28.08 ? 210 PRO A C 1 -ATOM 1690 O O . PRO A 1 210 ? 18.936 27.235 54.814 1.00 26.61 ? 210 PRO A O 1 -ATOM 1691 C CB . PRO A 1 210 ? 15.928 27.800 53.085 1.00 35.65 ? 210 PRO A CB 1 -ATOM 1692 C CG . PRO A 1 210 ? 15.094 27.435 54.271 1.00 40.55 ? 210 PRO A CG 1 -ATOM 1693 C CD . PRO A 1 210 ? 15.260 25.950 54.310 1.00 34.29 ? 210 PRO A CD 1 -ATOM 1694 N N . ALA A 1 211 ? 18.675 28.827 53.242 1.00 26.72 ? 211 ALA A N 1 -ATOM 1695 C CA . ALA A 1 211 ? 19.812 29.626 53.694 1.00 28.46 ? 211 ALA A CA 1 -ATOM 1696 C C . ALA A 1 211 ? 19.584 30.572 54.892 1.00 26.76 ? 211 ALA A C 1 -ATOM 1697 O O . ALA A 1 211 ? 20.543 31.135 55.435 1.00 28.02 ? 211 ALA A O 1 -ATOM 1698 C CB . ALA A 1 211 ? 20.424 30.384 52.495 1.00 17.37 ? 211 ALA A CB 1 -ATOM 1699 N N . GLU A 1 212 ? 18.333 30.745 55.308 1.00 29.90 ? 212 GLU A N 1 -ATOM 1700 C CA . GLU A 1 212 ? 18.017 31.618 56.444 1.00 33.23 ? 212 GLU A CA 1 -ATOM 1701 C C . GLU A 1 212 ? 18.477 31.028 57.789 1.00 33.04 ? 212 GLU A C 1 -ATOM 1702 O O . GLU A 1 212 ? 18.024 29.944 58.209 1.00 26.60 ? 212 GLU A O 1 -ATOM 1703 C CB . GLU A 1 212 ? 16.515 31.907 56.503 1.00 37.90 ? 212 GLU A CB 1 -ATOM 1704 C CG . GLU A 1 212 ? 16.162 33.388 56.453 1.00 45.08 ? 212 GLU A CG 1 -ATOM 1705 C CD . GLU A 1 212 ? 16.901 34.209 57.491 1.00 48.80 ? 212 GLU A CD 1 -ATOM 1706 O OE1 . GLU A 1 212 ? 16.481 34.187 58.669 1.00 56.53 ? 212 GLU A OE1 1 -ATOM 1707 O OE2 . GLU A 1 212 ? 17.900 34.875 57.132 1.00 49.76 ? 212 GLU A OE2 1 -ATOM 1708 N N . ILE A 1 213 ? 19.339 31.769 58.480 1.00 29.71 ? 213 ILE A N 1 -ATOM 1709 C CA . ILE A 1 213 ? 19.869 31.315 59.755 1.00 35.67 ? 213 ILE A CA 1 -ATOM 1710 C C . ILE A 1 213 ? 20.331 32.498 60.612 1.00 38.58 ? 213 ILE A C 1 -ATOM 1711 O O . ILE A 1 213 ? 20.741 33.539 60.093 1.00 39.60 ? 213 ILE A O 1 -ATOM 1712 C CB . ILE A 1 213 ? 21.059 30.314 59.526 1.00 32.44 ? 213 ILE A CB 1 -ATOM 1713 C CG1 . ILE A 1 213 ? 21.135 29.290 60.665 1.00 34.63 ? 213 ILE A CG1 1 -ATOM 1714 C CG2 . ILE A 1 213 ? 22.391 31.059 59.387 1.00 22.34 ? 213 ILE A CG2 1 -ATOM 1715 C CD1 . ILE A 1 213 ? 22.245 28.227 60.496 1.00 28.94 ? 213 ILE A CD1 1 -ATOM 1716 N N . THR A 1 214 ? 20.226 32.342 61.927 1.00 42.61 ? 214 THR A N 1 -ATOM 1717 C CA . THR A 1 214 ? 20.668 33.367 62.868 1.00 41.82 ? 214 THR A CA 1 -ATOM 1718 C C . THR A 1 214 ? 21.644 32.691 63.840 1.00 38.70 ? 214 THR A C 1 -ATOM 1719 O O . THR A 1 214 ? 21.308 31.713 64.510 1.00 35.25 ? 214 THR A O 1 -ATOM 1720 C CB . THR A 1 214 ? 19.477 33.988 63.616 1.00 45.99 ? 214 THR A CB 1 -ATOM 1721 O OG1 . THR A 1 214 ? 18.532 34.507 62.664 1.00 41.67 ? 214 THR A OG1 1 -ATOM 1722 C CG2 . THR A 1 214 ? 19.954 35.109 64.543 1.00 48.26 ? 214 THR A CG2 1 -ATOM 1723 N N . LEU A 1 215 ? 22.882 33.163 63.810 1.00 36.85 ? 215 LEU A N 1 -ATOM 1724 C CA . LEU A 1 215 ? 23.956 32.635 64.630 1.00 34.17 ? 215 LEU A CA 1 -ATOM 1725 C C . LEU A 1 215 ? 24.408 33.752 65.559 1.00 38.72 ? 215 LEU A C 1 -ATOM 1726 O O . LEU A 1 215 ? 24.878 34.788 65.084 1.00 44.04 ? 215 LEU A O 1 -ATOM 1727 C CB . LEU A 1 215 ? 25.114 32.233 63.721 1.00 25.14 ? 215 LEU A CB 1 -ATOM 1728 C CG . LEU A 1 215 ? 25.830 30.942 64.067 1.00 21.31 ? 215 LEU A CG 1 -ATOM 1729 C CD1 . LEU A 1 215 ? 24.892 29.786 63.802 1.00 17.86 ? 215 LEU A CD1 1 -ATOM 1730 C CD2 . LEU A 1 215 ? 27.106 30.824 63.253 1.00 21.97 ? 215 LEU A CD2 1 -ATOM 1731 N N . THR A 1 216 ? 24.337 33.523 66.870 1.00 45.70 ? 216 THR A N 1 -ATOM 1732 C CA . THR A 1 216 ? 24.714 34.557 67.842 1.00 50.41 ? 216 THR A CA 1 -ATOM 1733 C C . THR A 1 216 ? 25.480 34.115 69.109 1.00 49.61 ? 216 THR A C 1 -ATOM 1734 O O . THR A 1 216 ? 25.122 33.124 69.756 1.00 49.93 ? 216 THR A O 1 -ATOM 1735 C CB . THR A 1 216 ? 23.460 35.331 68.292 1.00 51.53 ? 216 THR A CB 1 -ATOM 1736 O OG1 . THR A 1 216 ? 22.318 34.862 67.557 1.00 63.52 ? 216 THR A OG1 1 -ATOM 1737 C CG2 . THR A 1 216 ? 23.638 36.811 68.044 1.00 56.31 ? 216 THR A CG2 1 -ATOM 1738 N N . TRP A 1 217 ? 26.522 34.874 69.455 1.00 45.68 ? 217 TRP A N 1 -ATOM 1739 C CA . TRP A 1 217 ? 27.346 34.627 70.638 1.00 41.10 ? 217 TRP A CA 1 -ATOM 1740 C C . TRP A 1 217 ? 26.886 35.538 71.772 1.00 44.58 ? 217 TRP A C 1 -ATOM 1741 O O . TRP A 1 217 ? 26.587 36.721 71.559 1.00 43.98 ? 217 TRP A O 1 -ATOM 1742 C CB . TRP A 1 217 ? 28.820 34.943 70.368 1.00 39.89 ? 217 TRP A CB 1 -ATOM 1743 C CG . TRP A 1 217 ? 29.633 33.824 69.800 1.00 44.12 ? 217 TRP A CG 1 -ATOM 1744 C CD1 . TRP A 1 217 ? 30.285 33.820 68.599 1.00 50.60 ? 217 TRP A CD1 1 -ATOM 1745 C CD2 . TRP A 1 217 ? 29.939 32.569 70.422 1.00 43.10 ? 217 TRP A CD2 1 -ATOM 1746 N NE1 . TRP A 1 217 ? 30.974 32.645 68.440 1.00 50.96 ? 217 TRP A NE1 1 -ATOM 1747 C CE2 . TRP A 1 217 ? 30.780 31.859 69.541 1.00 41.89 ? 217 TRP A CE2 1 -ATOM 1748 C CE3 . TRP A 1 217 ? 29.586 31.977 71.639 1.00 47.99 ? 217 TRP A CE3 1 -ATOM 1749 C CZ2 . TRP A 1 217 ? 31.272 30.589 69.837 1.00 41.64 ? 217 TRP A CZ2 1 -ATOM 1750 C CZ3 . TRP A 1 217 ? 30.077 30.709 71.933 1.00 47.78 ? 217 TRP A CZ3 1 -ATOM 1751 C CH2 . TRP A 1 217 ? 30.911 30.031 71.033 1.00 44.94 ? 217 TRP A CH2 1 -ATOM 1752 N N . GLN A 1 218 ? 26.875 34.993 72.982 1.00 45.81 ? 218 GLN A N 1 -ATOM 1753 C CA . GLN A 1 218 ? 26.484 35.729 74.168 1.00 45.74 ? 218 GLN A CA 1 -ATOM 1754 C C . GLN A 1 218 ? 27.472 35.410 75.275 1.00 51.92 ? 218 GLN A C 1 -ATOM 1755 O O . GLN A 1 218 ? 28.047 34.313 75.307 1.00 52.59 ? 218 GLN A O 1 -ATOM 1756 C CB . GLN A 1 218 ? 25.104 35.287 74.639 1.00 44.46 ? 218 GLN A CB 1 -ATOM 1757 C CG . GLN A 1 218 ? 23.949 35.673 73.744 1.00 50.51 ? 218 GLN A CG 1 -ATOM 1758 C CD . GLN A 1 218 ? 22.611 35.268 74.341 1.00 54.19 ? 218 GLN A CD 1 -ATOM 1759 O OE1 . GLN A 1 218 ? 22.559 34.637 75.398 1.00 53.79 ? 218 GLN A OE1 1 -ATOM 1760 N NE2 . GLN A 1 218 ? 21.521 35.608 73.656 1.00 58.02 ? 218 GLN A NE2 1 -ATOM 1761 N N . ARG A 1 219 ? 27.663 36.367 76.184 1.00 54.66 ? 219 ARG A N 1 -ATOM 1762 C CA . ARG A 1 219 ? 28.548 36.190 77.339 1.00 50.12 ? 219 ARG A CA 1 -ATOM 1763 C C . ARG A 1 219 ? 27.706 36.449 78.570 1.00 46.37 ? 219 ARG A C 1 -ATOM 1764 O O . ARG A 1 219 ? 27.089 37.506 78.692 1.00 45.61 ? 219 ARG A O 1 -ATOM 1765 C CB . ARG A 1 219 ? 29.725 37.162 77.317 1.00 47.83 ? 219 ARG A CB 1 -ATOM 1766 C CG . ARG A 1 219 ? 30.732 36.898 78.419 1.00 47.86 ? 219 ARG A CG 1 -ATOM 1767 C CD . ARG A 1 219 ? 31.870 37.886 78.367 1.00 51.18 ? 219 ARG A CD 1 -ATOM 1768 N NE . ARG A 1 219 ? 31.398 39.263 78.529 1.00 57.76 ? 219 ARG A NE 1 -ATOM 1769 C CZ . ARG A 1 219 ? 32.129 40.347 78.271 1.00 56.33 ? 219 ARG A CZ 1 -ATOM 1770 N NH1 . ARG A 1 219 ? 33.380 40.226 77.830 1.00 55.62 ? 219 ARG A NH1 1 -ATOM 1771 N NH2 . ARG A 1 219 ? 31.612 41.554 78.467 1.00 46.81 ? 219 ARG A NH2 1 -ATOM 1772 N N . ASP A 1 220 ? 27.613 35.441 79.430 1.00 49.55 ? 220 ASP A N 1 -ATOM 1773 C CA . ASP A 1 220 ? 26.830 35.502 80.666 1.00 50.94 ? 220 ASP A CA 1 -ATOM 1774 C C . ASP A 1 220 ? 25.353 35.788 80.379 1.00 51.97 ? 220 ASP A C 1 -ATOM 1775 O O . ASP A 1 220 ? 24.562 35.926 81.305 1.00 55.66 ? 220 ASP A O 1 -ATOM 1776 C CB . ASP A 1 220 ? 27.391 36.555 81.649 1.00 49.22 ? 220 ASP A CB 1 -ATOM 1777 C CG . ASP A 1 220 ? 28.829 36.265 82.095 1.00 46.56 ? 220 ASP A CG 1 -ATOM 1778 O OD1 . ASP A 1 220 ? 29.161 35.105 82.438 1.00 43.84 ? 220 ASP A OD1 1 -ATOM 1779 O OD2 . ASP A 1 220 ? 29.630 37.223 82.125 1.00 43.96 ? 220 ASP A OD2 1 -ATOM 1780 N N . GLY A 1 221 ? 24.971 35.797 79.104 1.00 50.90 ? 221 GLY A N 1 -ATOM 1781 C CA . GLY A 1 221 ? 23.591 36.076 78.749 1.00 55.51 ? 221 GLY A CA 1 -ATOM 1782 C C . GLY A 1 221 ? 23.417 37.436 78.093 1.00 59.14 ? 221 GLY A C 1 -ATOM 1783 O O . GLY A 1 221 ? 22.285 37.880 77.869 1.00 62.31 ? 221 GLY A O 1 -ATOM 1784 N N . GLU A 1 222 ? 24.535 38.098 77.792 1.00 56.51 ? 222 GLU A N 1 -ATOM 1785 C CA . GLU A 1 222 ? 24.525 39.412 77.147 1.00 58.55 ? 222 GLU A CA 1 -ATOM 1786 C C . GLU A 1 222 ? 24.926 39.289 75.667 1.00 59.91 ? 222 GLU A C 1 -ATOM 1787 O O . GLU A 1 222 ? 25.963 38.681 75.354 1.00 61.12 ? 222 GLU A O 1 -ATOM 1788 C CB . GLU A 1 222 ? 25.466 40.362 77.875 1.00 56.05 ? 222 GLU A CB 1 -ATOM 1789 N N . ASP A 1 223 ? 24.101 39.842 74.765 1.00 57.05 ? 223 ASP A N 1 -ATOM 1790 C CA . ASP A 1 223 ? 24.383 39.784 73.337 1.00 48.80 ? 223 ASP A CA 1 -ATOM 1791 C C . ASP A 1 223 ? 25.820 40.177 73.104 1.00 48.22 ? 223 ASP A C 1 -ATOM 1792 O O . ASP A 1 223 ? 26.288 41.159 73.677 1.00 47.13 ? 223 ASP A O 1 -ATOM 1793 N N . GLN A 1 224 ? 26.541 39.414 72.294 1.00 46.99 ? 224 GLN A N 1 -ATOM 1794 C CA . GLN A 1 224 ? 27.950 39.731 72.059 1.00 50.94 ? 224 GLN A CA 1 -ATOM 1795 C C . GLN A 1 224 ? 28.211 40.345 70.690 1.00 51.23 ? 224 GLN A C 1 -ATOM 1796 O O . GLN A 1 224 ? 29.353 40.466 70.246 1.00 44.73 ? 224 GLN A O 1 -ATOM 1797 C CB . GLN A 1 224 ? 28.795 38.472 72.280 1.00 54.44 ? 224 GLN A CB 1 -ATOM 1798 C CG . GLN A 1 224 ? 30.156 38.713 72.925 1.00 47.32 ? 224 GLN A CG 1 -ATOM 1799 C CD . GLN A 1 224 ? 30.069 39.517 74.205 1.00 47.52 ? 224 GLN A CD 1 -ATOM 1800 O OE1 . GLN A 1 224 ? 31.025 40.185 74.592 1.00 48.72 ? 224 GLN A OE1 1 -ATOM 1801 N NE2 . GLN A 1 224 ? 28.917 39.469 74.863 1.00 50.27 ? 224 GLN A NE2 1 -ATOM 1802 N N . THR A 1 225 ? 27.143 40.832 70.082 1.00 58.31 ? 225 THR A N 1 -ATOM 1803 C CA . THR A 1 225 ? 27.159 41.454 68.769 1.00 67.87 ? 225 THR A CA 1 -ATOM 1804 C C . THR A 1 225 ? 28.451 42.132 68.276 1.00 69.93 ? 225 THR A C 1 -ATOM 1805 O O . THR A 1 225 ? 29.103 41.643 67.338 1.00 72.69 ? 225 THR A O 1 -ATOM 1806 C CB . THR A 1 225 ? 25.969 42.457 68.625 1.00 72.47 ? 225 THR A CB 1 -ATOM 1807 O OG1 . THR A 1 225 ? 25.833 43.226 69.829 1.00 78.97 ? 225 THR A OG1 1 -ATOM 1808 C CG2 . THR A 1 225 ? 24.670 41.720 68.368 1.00 77.65 ? 225 THR A CG2 1 -ATOM 1809 N N . GLN A 1 226 ? 28.859 43.218 68.922 1.00 67.56 ? 226 GLN A N 1 -ATOM 1810 C CA . GLN A 1 226 ? 30.025 43.963 68.482 1.00 68.92 ? 226 GLN A CA 1 -ATOM 1811 C C . GLN A 1 226 ? 31.385 43.292 68.623 1.00 71.66 ? 226 GLN A C 1 -ATOM 1812 O O . GLN A 1 226 ? 32.368 43.762 68.044 1.00 72.88 ? 226 GLN A O 1 -ATOM 1813 C CB . GLN A 1 226 ? 30.038 45.336 69.131 1.00 70.75 ? 226 GLN A CB 1 -ATOM 1814 N N . ASP A 1 227 ? 31.453 42.190 69.362 1.00 74.89 ? 227 ASP A N 1 -ATOM 1815 C CA . ASP A 1 227 ? 32.726 41.499 69.575 1.00 77.20 ? 227 ASP A CA 1 -ATOM 1816 C C . ASP A 1 227 ? 32.809 40.150 68.832 1.00 75.83 ? 227 ASP A C 1 -ATOM 1817 O O . ASP A 1 227 ? 33.754 39.373 69.038 1.00 72.62 ? 227 ASP A O 1 -ATOM 1818 C CB . ASP A 1 227 ? 32.953 41.294 71.084 1.00 84.28 ? 227 ASP A CB 1 -ATOM 1819 C CG . ASP A 1 227 ? 32.798 42.593 71.897 1.00 88.16 ? 227 ASP A CG 1 -ATOM 1820 O OD1 . ASP A 1 227 ? 31.644 43.044 72.109 1.00 88.47 ? 227 ASP A OD1 1 -ATOM 1821 O OD2 . ASP A 1 227 ? 33.830 43.152 72.332 1.00 88.09 ? 227 ASP A OD2 1 -ATOM 1822 N N . THR A 1 228 ? 31.871 39.935 67.907 1.00 73.32 ? 228 THR A N 1 -ATOM 1823 C CA . THR A 1 228 ? 31.762 38.697 67.135 1.00 67.42 ? 228 THR A CA 1 -ATOM 1824 C C . THR A 1 228 ? 32.030 38.808 65.628 1.00 66.10 ? 228 THR A C 1 -ATOM 1825 O O . THR A 1 228 ? 31.436 39.654 64.952 1.00 68.99 ? 228 THR A O 1 -ATOM 1826 C CB . THR A 1 228 ? 30.342 38.117 67.297 1.00 64.15 ? 228 THR A CB 1 -ATOM 1827 O OG1 . THR A 1 228 ? 30.019 38.023 68.690 1.00 62.68 ? 228 THR A OG1 1 -ATOM 1828 C CG2 . THR A 1 228 ? 30.240 36.737 66.660 1.00 62.99 ? 228 THR A CG2 1 -ATOM 1829 N N . GLU A 1 229 ? 32.893 37.932 65.101 1.00 61.60 ? 229 GLU A N 1 -ATOM 1830 C CA . GLU A 1 229 ? 33.201 37.890 63.660 1.00 54.88 ? 229 GLU A CA 1 -ATOM 1831 C C . GLU A 1 229 ? 32.177 36.969 63.003 1.00 47.73 ? 229 GLU A C 1 -ATOM 1832 O O . GLU A 1 229 ? 32.223 35.757 63.187 1.00 43.56 ? 229 GLU A O 1 -ATOM 1833 C CB . GLU A 1 229 ? 34.617 37.342 63.404 1.00 56.57 ? 229 GLU A CB 1 -ATOM 1834 C CG . GLU A 1 229 ? 35.009 37.251 61.917 1.00 59.20 ? 229 GLU A CG 1 -ATOM 1835 C CD . GLU A 1 229 ? 36.411 36.678 61.679 1.00 63.55 ? 229 GLU A CD 1 -ATOM 1836 O OE1 . GLU A 1 229 ? 36.874 35.837 62.488 1.00 62.59 ? 229 GLU A OE1 1 -ATOM 1837 O OE2 . GLU A 1 229 ? 37.046 37.056 60.665 1.00 60.50 ? 229 GLU A OE2 1 -ATOM 1838 N N . LEU A 1 230 ? 31.244 37.543 62.256 1.00 44.18 ? 230 LEU A N 1 -ATOM 1839 C CA . LEU A 1 230 ? 30.214 36.748 61.599 1.00 40.28 ? 230 LEU A CA 1 -ATOM 1840 C C . LEU A 1 230 ? 30.436 36.714 60.090 1.00 40.73 ? 230 LEU A C 1 -ATOM 1841 O O . LEU A 1 230 ? 30.497 37.762 59.454 1.00 43.02 ? 230 LEU A O 1 -ATOM 1842 C CB . LEU A 1 230 ? 28.847 37.337 61.909 1.00 35.30 ? 230 LEU A CB 1 -ATOM 1843 C CG . LEU A 1 230 ? 27.628 36.484 61.586 1.00 40.14 ? 230 LEU A CG 1 -ATOM 1844 C CD1 . LEU A 1 230 ? 27.663 35.202 62.405 1.00 46.14 ? 230 LEU A CD1 1 -ATOM 1845 C CD2 . LEU A 1 230 ? 26.374 37.272 61.900 1.00 38.59 ? 230 LEU A CD2 1 -ATOM 1846 N N . VAL A 1 231 ? 30.637 35.523 59.525 1.00 39.07 ? 231 VAL A N 1 -ATOM 1847 C CA . VAL A 1 231 ? 30.837 35.411 58.083 1.00 32.86 ? 231 VAL A CA 1 -ATOM 1848 C C . VAL A 1 231 ? 29.496 35.264 57.365 1.00 38.51 ? 231 VAL A C 1 -ATOM 1849 O O . VAL A 1 231 ? 28.574 34.604 57.853 1.00 38.32 ? 231 VAL A O 1 -ATOM 1850 C CB . VAL A 1 231 ? 31.774 34.245 57.678 1.00 26.90 ? 231 VAL A CB 1 -ATOM 1851 C CG1 . VAL A 1 231 ? 33.148 34.451 58.257 1.00 24.64 ? 231 VAL A CG1 1 -ATOM 1852 C CG2 . VAL A 1 231 ? 31.193 32.904 58.071 1.00 23.94 ? 231 VAL A CG2 1 -ATOM 1853 N N . GLU A 1 232 ? 29.402 35.879 56.196 1.00 38.40 ? 232 GLU A N 1 -ATOM 1854 C CA . GLU A 1 232 ? 28.190 35.852 55.399 1.00 37.69 ? 232 GLU A CA 1 -ATOM 1855 C C . GLU A 1 232 ? 27.846 34.391 55.071 1.00 34.43 ? 232 GLU A C 1 -ATOM 1856 O O . GLU A 1 232 ? 28.755 33.593 54.827 1.00 30.46 ? 232 GLU A O 1 -ATOM 1857 C CB . GLU A 1 232 ? 28.462 36.651 54.126 1.00 48.12 ? 232 GLU A CB 1 -ATOM 1858 C CG . GLU A 1 232 ? 27.243 37.224 53.407 1.00 63.18 ? 232 GLU A CG 1 -ATOM 1859 C CD . GLU A 1 232 ? 27.613 37.877 52.071 1.00 71.42 ? 232 GLU A CD 1 -ATOM 1860 O OE1 . GLU A 1 232 ? 28.799 38.256 51.898 1.00 66.37 ? 232 GLU A OE1 1 -ATOM 1861 O OE2 . GLU A 1 232 ? 26.720 37.997 51.193 1.00 75.91 ? 232 GLU A OE2 1 -ATOM 1862 N N . THR A 1 233 ? 26.556 34.037 55.094 1.00 32.01 ? 233 THR A N 1 -ATOM 1863 C CA . THR A 1 233 ? 26.138 32.672 54.785 1.00 25.73 ? 233 THR A CA 1 -ATOM 1864 C C . THR A 1 233 ? 26.817 32.321 53.467 1.00 29.41 ? 233 THR A C 1 -ATOM 1865 O O . THR A 1 233 ? 26.841 33.136 52.554 1.00 36.36 ? 233 THR A O 1 -ATOM 1866 C CB . THR A 1 233 ? 24.601 32.562 54.637 1.00 24.87 ? 233 THR A CB 1 -ATOM 1867 O OG1 . THR A 1 233 ? 23.952 32.914 55.869 1.00 23.23 ? 233 THR A OG1 1 -ATOM 1868 C CG2 . THR A 1 233 ? 24.198 31.152 54.257 1.00 25.81 ? 233 THR A CG2 1 -ATOM 1869 N N . ARG A 1 234 ? 27.413 31.137 53.381 1.00 32.33 ? 234 ARG A N 1 -ATOM 1870 C CA . ARG A 1 234 ? 28.112 30.716 52.174 1.00 27.53 ? 234 ARG A CA 1 -ATOM 1871 C C . ARG A 1 234 ? 27.610 29.364 51.683 1.00 34.15 ? 234 ARG A C 1 -ATOM 1872 O O . ARG A 1 234 ? 27.221 28.510 52.473 1.00 37.21 ? 234 ARG A O 1 -ATOM 1873 C CB . ARG A 1 234 ? 29.603 30.636 52.453 1.00 21.06 ? 234 ARG A CB 1 -ATOM 1874 C CG . ARG A 1 234 ? 29.987 29.479 53.337 1.00 25.00 ? 234 ARG A CG 1 -ATOM 1875 C CD . ARG A 1 234 ? 30.971 29.887 54.419 1.00 23.15 ? 234 ARG A CD 1 -ATOM 1876 N NE . ARG A 1 234 ? 31.705 28.721 54.889 1.00 23.11 ? 234 ARG A NE 1 -ATOM 1877 C CZ . ARG A 1 234 ? 33.012 28.714 55.127 1.00 32.29 ? 234 ARG A CZ 1 -ATOM 1878 N NH1 . ARG A 1 234 ? 33.720 29.824 54.962 1.00 32.84 ? 234 ARG A NH1 1 -ATOM 1879 N NH2 . ARG A 1 234 ? 33.633 27.575 55.423 1.00 29.45 ? 234 ARG A NH2 1 -ATOM 1880 N N . PRO A 1 235 ? 27.538 29.176 50.363 1.00 38.13 ? 235 PRO A N 1 -ATOM 1881 C CA . PRO A 1 235 ? 27.069 27.919 49.775 1.00 38.59 ? 235 PRO A CA 1 -ATOM 1882 C C . PRO A 1 235 ? 28.110 26.799 49.861 1.00 36.09 ? 235 PRO A C 1 -ATOM 1883 O O . PRO A 1 235 ? 29.303 27.031 49.632 1.00 30.98 ? 235 PRO A O 1 -ATOM 1884 C CB . PRO A 1 235 ? 26.782 28.314 48.326 1.00 45.40 ? 235 PRO A CB 1 -ATOM 1885 C CG . PRO A 1 235 ? 27.800 29.414 48.072 1.00 44.22 ? 235 PRO A CG 1 -ATOM 1886 C CD . PRO A 1 235 ? 27.698 30.220 49.329 1.00 39.36 ? 235 PRO A CD 1 -ATOM 1887 N N . ALA A 1 236 ? 27.651 25.587 50.164 1.00 32.51 ? 236 ALA A N 1 -ATOM 1888 C CA . ALA A 1 236 ? 28.538 24.427 50.279 1.00 34.24 ? 236 ALA A CA 1 -ATOM 1889 C C . ALA A 1 236 ? 28.908 23.895 48.913 1.00 37.98 ? 236 ALA A C 1 -ATOM 1890 O O . ALA A 1 236 ? 29.996 23.343 48.721 1.00 36.33 ? 236 ALA A O 1 -ATOM 1891 C CB . ALA A 1 236 ? 27.876 23.336 51.080 1.00 38.60 ? 236 ALA A CB 1 -ATOM 1892 N N . GLY A 1 237 ? 27.977 24.062 47.974 1.00 41.32 ? 237 GLY A N 1 -ATOM 1893 C CA . GLY A 1 237 ? 28.173 23.611 46.609 1.00 37.54 ? 237 GLY A CA 1 -ATOM 1894 C C . GLY A 1 237 ? 27.305 22.419 46.257 1.00 41.30 ? 237 GLY A C 1 -ATOM 1895 O O . GLY A 1 237 ? 27.184 22.043 45.092 1.00 42.62 ? 237 GLY A O 1 -ATOM 1896 N N . ASP A 1 238 ? 26.647 21.847 47.254 1.00 42.39 ? 238 ASP A N 1 -ATOM 1897 C CA . ASP A 1 238 ? 25.812 20.684 47.018 1.00 37.51 ? 238 ASP A CA 1 -ATOM 1898 C C . ASP A 1 238 ? 24.343 20.933 47.302 1.00 37.20 ? 238 ASP A C 1 -ATOM 1899 O O . ASP A 1 238 ? 23.543 19.992 47.399 1.00 34.50 ? 238 ASP A O 1 -ATOM 1900 C CB . ASP A 1 238 ? 26.341 19.482 47.807 1.00 43.82 ? 238 ASP A CB 1 -ATOM 1901 C CG . ASP A 1 238 ? 26.577 19.786 49.296 1.00 50.48 ? 238 ASP A CG 1 -ATOM 1902 O OD1 . ASP A 1 238 ? 26.337 20.928 49.759 1.00 47.20 ? 238 ASP A OD1 1 -ATOM 1903 O OD2 . ASP A 1 238 ? 27.015 18.855 50.007 1.00 51.07 ? 238 ASP A OD2 1 -ATOM 1904 N N . GLY A 1 239 ? 23.989 22.208 47.427 1.00 32.98 ? 239 GLY A N 1 -ATOM 1905 C CA . GLY A 1 239 ? 22.604 22.556 47.675 1.00 34.29 ? 239 GLY A CA 1 -ATOM 1906 C C . GLY A 1 239 ? 22.287 22.959 49.094 1.00 36.54 ? 239 GLY A C 1 -ATOM 1907 O O . GLY A 1 239 ? 21.112 23.138 49.427 1.00 38.35 ? 239 GLY A O 1 -ATOM 1908 N N . THR A 1 240 ? 23.330 23.099 49.917 1.00 36.34 ? 240 THR A N 1 -ATOM 1909 C CA . THR A 1 240 ? 23.198 23.487 51.317 1.00 32.13 ? 240 THR A CA 1 -ATOM 1910 C C . THR A 1 240 ? 24.140 24.635 51.598 1.00 34.67 ? 240 THR A C 1 -ATOM 1911 O O . THR A 1 240 ? 25.044 24.925 50.789 1.00 27.35 ? 240 THR A O 1 -ATOM 1912 C CB . THR A 1 240 ? 23.562 22.347 52.258 1.00 33.30 ? 240 THR A CB 1 -ATOM 1913 O OG1 . THR A 1 240 ? 24.825 21.794 51.867 1.00 36.57 ? 240 THR A OG1 1 -ATOM 1914 C CG2 . THR A 1 240 ? 22.493 21.269 52.233 1.00 38.21 ? 240 THR A CG2 1 -ATOM 1915 N N . PHE A 1 241 ? 23.971 25.244 52.774 1.00 36.23 ? 241 PHE A N 1 -ATOM 1916 C CA . PHE A 1 241 ? 24.783 26.395 53.173 1.00 35.79 ? 241 PHE A CA 1 -ATOM 1917 C C . PHE A 1 241 ? 25.648 26.175 54.406 1.00 27.88 ? 241 PHE A C 1 -ATOM 1918 O O . PHE A 1 241 ? 25.519 25.164 55.090 1.00 28.47 ? 241 PHE A O 1 -ATOM 1919 C CB . PHE A 1 241 ? 23.882 27.621 53.349 1.00 36.77 ? 241 PHE A CB 1 -ATOM 1920 C CG . PHE A 1 241 ? 22.976 27.866 52.172 1.00 43.09 ? 241 PHE A CG 1 -ATOM 1921 C CD1 . PHE A 1 241 ? 21.894 27.021 51.917 1.00 45.43 ? 241 PHE A CD1 1 -ATOM 1922 C CD2 . PHE A 1 241 ? 23.229 28.905 51.292 1.00 50.87 ? 241 PHE A CD2 1 -ATOM 1923 C CE1 . PHE A 1 241 ? 21.081 27.198 50.797 1.00 46.99 ? 241 PHE A CE1 1 -ATOM 1924 C CE2 . PHE A 1 241 ? 22.422 29.096 50.165 1.00 53.76 ? 241 PHE A CE2 1 -ATOM 1925 C CZ . PHE A 1 241 ? 21.344 28.236 49.920 1.00 51.55 ? 241 PHE A CZ 1 -ATOM 1926 N N . GLN A 1 242 ? 26.546 27.122 54.655 1.00 24.57 ? 242 GLN A N 1 -ATOM 1927 C CA . GLN A 1 242 ? 27.469 27.087 55.784 1.00 26.03 ? 242 GLN A CA 1 -ATOM 1928 C C . GLN A 1 242 ? 27.495 28.450 56.428 1.00 27.90 ? 242 GLN A C 1 -ATOM 1929 O O . GLN A 1 242 ? 27.019 29.415 55.841 1.00 34.44 ? 242 GLN A O 1 -ATOM 1930 C CB . GLN A 1 242 ? 28.885 26.777 55.311 1.00 17.14 ? 242 GLN A CB 1 -ATOM 1931 C CG . GLN A 1 242 ? 29.019 25.432 54.679 1.00 15.88 ? 242 GLN A CG 1 -ATOM 1932 C CD . GLN A 1 242 ? 30.442 25.095 54.351 1.00 15.85 ? 242 GLN A CD 1 -ATOM 1933 O OE1 . GLN A 1 242 ? 31.357 25.900 54.557 1.00 17.27 ? 242 GLN A OE1 1 -ATOM 1934 N NE2 . GLN A 1 242 ? 30.646 23.898 53.832 1.00 20.09 ? 242 GLN A NE2 1 -ATOM 1935 N N . LYS A 1 243 ? 28.061 28.533 57.628 1.00 34.64 ? 243 LYS A N 1 -ATOM 1936 C CA . LYS A 1 243 ? 28.174 29.804 58.347 1.00 31.33 ? 243 LYS A CA 1 -ATOM 1937 C C . LYS A 1 243 ? 28.869 29.620 59.694 1.00 29.06 ? 243 LYS A C 1 -ATOM 1938 O O . LYS A 1 243 ? 28.865 28.526 60.265 1.00 25.74 ? 243 LYS A O 1 -ATOM 1939 C CB . LYS A 1 243 ? 26.789 30.396 58.579 1.00 26.71 ? 243 LYS A CB 1 -ATOM 1940 C CG . LYS A 1 243 ? 26.776 31.898 58.784 1.00 23.11 ? 243 LYS A CG 1 -ATOM 1941 C CD . LYS A 1 243 ? 25.407 32.319 59.348 1.00 22.74 ? 243 LYS A CD 1 -ATOM 1942 C CE . LYS A 1 243 ? 25.001 33.682 58.855 1.00 28.49 ? 243 LYS A CE 1 -ATOM 1943 N NZ . LYS A 1 243 ? 26.189 34.558 58.729 1.00 27.85 ? 243 LYS A NZ 1 -ATOM 1944 N N . TRP A 1 244 ? 29.491 30.685 60.181 1.00 30.60 ? 244 TRP A N 1 -ATOM 1945 C CA . TRP A 1 244 ? 30.149 30.630 61.471 1.00 32.52 ? 244 TRP A CA 1 -ATOM 1946 C C . TRP A 1 244 ? 30.381 31.980 62.128 1.00 35.65 ? 244 TRP A C 1 -ATOM 1947 O O . TRP A 1 244 ? 30.515 32.995 61.436 1.00 38.47 ? 244 TRP A O 1 -ATOM 1948 C CB . TRP A 1 244 ? 31.442 29.810 61.419 1.00 25.59 ? 244 TRP A CB 1 -ATOM 1949 C CG . TRP A 1 244 ? 32.557 30.313 60.551 1.00 24.00 ? 244 TRP A CG 1 -ATOM 1950 C CD1 . TRP A 1 244 ? 33.041 29.703 59.435 1.00 17.55 ? 244 TRP A CD1 1 -ATOM 1951 C CD2 . TRP A 1 244 ? 33.457 31.402 60.829 1.00 22.42 ? 244 TRP A CD2 1 -ATOM 1952 N NE1 . TRP A 1 244 ? 34.194 30.316 59.020 1.00 18.94 ? 244 TRP A NE1 1 -ATOM 1953 C CE2 . TRP A 1 244 ? 34.474 31.363 59.857 1.00 22.17 ? 244 TRP A CE2 1 -ATOM 1954 C CE3 . TRP A 1 244 ? 33.509 32.399 61.816 1.00 20.98 ? 244 TRP A CE3 1 -ATOM 1955 C CZ2 . TRP A 1 244 ? 35.535 32.275 59.839 1.00 19.61 ? 244 TRP A CZ2 1 -ATOM 1956 C CZ3 . TRP A 1 244 ? 34.565 33.306 61.799 1.00 8.16 ? 244 TRP A CZ3 1 -ATOM 1957 C CH2 . TRP A 1 244 ? 35.560 33.234 60.820 1.00 18.43 ? 244 TRP A CH2 1 -ATOM 1958 N N . ALA A 1 245 ? 30.325 31.980 63.465 1.00 35.38 ? 245 ALA A N 1 -ATOM 1959 C CA . ALA A 1 245 ? 30.540 33.158 64.314 1.00 29.82 ? 245 ALA A CA 1 -ATOM 1960 C C . ALA A 1 245 ? 31.716 32.836 65.215 1.00 24.83 ? 245 ALA A C 1 -ATOM 1961 O O . ALA A 1 245 ? 31.832 31.721 65.686 1.00 26.62 ? 245 ALA A O 1 -ATOM 1962 C CB . ALA A 1 245 ? 29.305 33.430 65.155 1.00 29.54 ? 245 ALA A CB 1 -ATOM 1963 N N . ALA A 1 246 ? 32.594 33.795 65.452 1.00 23.71 ? 246 ALA A N 1 -ATOM 1964 C CA . ALA A 1 246 ? 33.753 33.544 66.287 1.00 25.92 ? 246 ALA A CA 1 -ATOM 1965 C C . ALA A 1 246 ? 34.049 34.704 67.212 1.00 33.62 ? 246 ALA A C 1 -ATOM 1966 O O . ALA A 1 246 ? 34.006 35.862 66.794 1.00 37.82 ? 246 ALA A O 1 -ATOM 1967 C CB . ALA A 1 246 ? 34.963 33.249 65.437 1.00 14.57 ? 246 ALA A CB 1 -ATOM 1968 N N . VAL A 1 247 ? 34.351 34.381 68.469 1.00 36.96 ? 247 VAL A N 1 -ATOM 1969 C CA . VAL A 1 247 ? 34.681 35.382 69.483 1.00 32.62 ? 247 VAL A CA 1 -ATOM 1970 C C . VAL A 1 247 ? 36.027 35.087 70.103 1.00 34.71 ? 247 VAL A C 1 -ATOM 1971 O O . VAL A 1 247 ? 36.463 33.930 70.143 1.00 29.94 ? 247 VAL A O 1 -ATOM 1972 C CB . VAL A 1 247 ? 33.670 35.410 70.638 1.00 26.87 ? 247 VAL A CB 1 -ATOM 1973 C CG1 . VAL A 1 247 ? 32.415 36.140 70.228 1.00 28.97 ? 247 VAL A CG1 1 -ATOM 1974 C CG2 . VAL A 1 247 ? 33.344 34.005 71.071 1.00 29.54 ? 247 VAL A CG2 1 -ATOM 1975 N N . VAL A 1 248 ? 36.708 36.150 70.522 1.00 40.31 ? 248 VAL A N 1 -ATOM 1976 C CA . VAL A 1 248 ? 37.989 36.018 71.203 1.00 46.88 ? 248 VAL A CA 1 -ATOM 1977 C C . VAL A 1 248 ? 37.641 36.002 72.697 1.00 49.75 ? 248 VAL A C 1 -ATOM 1978 O O . VAL A 1 248 ? 36.917 36.877 73.199 1.00 52.07 ? 248 VAL A O 1 -ATOM 1979 C CB . VAL A 1 248 ? 38.951 37.177 70.895 1.00 46.65 ? 248 VAL A CB 1 -ATOM 1980 C CG1 . VAL A 1 248 ? 40.306 36.899 71.518 1.00 45.40 ? 248 VAL A CG1 1 -ATOM 1981 C CG2 . VAL A 1 248 ? 39.099 37.348 69.402 1.00 48.83 ? 248 VAL A CG2 1 -ATOM 1982 N N . VAL A 1 249 ? 38.093 34.956 73.377 1.00 47.83 ? 249 VAL A N 1 -ATOM 1983 C CA . VAL A 1 249 ? 37.815 34.768 74.785 1.00 49.74 ? 249 VAL A CA 1 -ATOM 1984 C C . VAL A 1 249 ? 39.100 34.757 75.598 1.00 51.39 ? 249 VAL A C 1 -ATOM 1985 O O . VAL A 1 249 ? 40.113 34.209 75.146 1.00 51.26 ? 249 VAL A O 1 -ATOM 1986 C CB . VAL A 1 249 ? 37.103 33.391 75.007 1.00 50.06 ? 249 VAL A CB 1 -ATOM 1987 C CG1 . VAL A 1 249 ? 36.745 33.183 76.464 1.00 47.54 ? 249 VAL A CG1 1 -ATOM 1988 C CG2 . VAL A 1 249 ? 35.876 33.281 74.136 1.00 48.70 ? 249 VAL A CG2 1 -ATOM 1989 N N . PRO A 1 250 ? 39.128 35.488 76.729 1.00 55.58 ? 250 PRO A N 1 -ATOM 1990 C CA . PRO A 1 250 ? 40.316 35.520 77.594 1.00 51.52 ? 250 PRO A CA 1 -ATOM 1991 C C . PRO A 1 250 ? 40.288 34.179 78.331 1.00 49.29 ? 250 PRO A C 1 -ATOM 1992 O O . PRO A 1 250 ? 39.214 33.727 78.744 1.00 48.81 ? 250 PRO A O 1 -ATOM 1993 C CB . PRO A 1 250 ? 40.023 36.670 78.552 1.00 47.13 ? 250 PRO A CB 1 -ATOM 1994 C CG . PRO A 1 250 ? 39.176 37.593 77.721 1.00 52.59 ? 250 PRO A CG 1 -ATOM 1995 C CD . PRO A 1 250 ? 38.227 36.616 77.056 1.00 56.99 ? 250 PRO A CD 1 -ATOM 1996 N N . SER A 1 251 ? 41.434 33.524 78.457 1.00 52.01 ? 251 SER A N 1 -ATOM 1997 C CA . SER A 1 251 ? 41.490 32.220 79.119 1.00 56.45 ? 251 SER A CA 1 -ATOM 1998 C C . SER A 1 251 ? 40.669 32.141 80.409 1.00 54.19 ? 251 SER A C 1 -ATOM 1999 O O . SER A 1 251 ? 40.573 33.110 81.164 1.00 58.35 ? 251 SER A O 1 -ATOM 2000 C CB . SER A 1 251 ? 42.946 31.802 79.367 1.00 61.99 ? 251 SER A CB 1 -ATOM 2001 O OG . SER A 1 251 ? 43.798 32.929 79.477 1.00 72.21 ? 251 SER A OG 1 -ATOM 2002 N N . GLY A 1 252 ? 40.013 31.005 80.613 1.00 50.71 ? 252 GLY A N 1 -ATOM 2003 C CA . GLY A 1 252 ? 39.204 30.824 81.804 1.00 39.88 ? 252 GLY A CA 1 -ATOM 2004 C C . GLY A 1 252 ? 37.751 31.168 81.572 1.00 36.18 ? 252 GLY A C 1 -ATOM 2005 O O . GLY A 1 252 ? 36.849 30.554 82.147 1.00 35.12 ? 252 GLY A O 1 -ATOM 2006 N N . GLN A 1 253 ? 37.508 32.092 80.655 1.00 37.57 ? 253 GLN A N 1 -ATOM 2007 C CA . GLN A 1 253 ? 36.149 32.527 80.370 1.00 38.77 ? 253 GLN A CA 1 -ATOM 2008 C C . GLN A 1 253 ? 35.300 31.636 79.473 1.00 37.39 ? 253 GLN A C 1 -ATOM 2009 O O . GLN A 1 253 ? 34.105 31.873 79.343 1.00 40.76 ? 253 GLN A O 1 -ATOM 2010 C CB . GLN A 1 253 ? 36.171 33.957 79.824 1.00 37.17 ? 253 GLN A CB 1 -ATOM 2011 C CG . GLN A 1 253 ? 36.689 34.979 80.833 1.00 39.09 ? 253 GLN A CG 1 -ATOM 2012 C CD . GLN A 1 253 ? 36.624 36.418 80.335 1.00 43.58 ? 253 GLN A CD 1 -ATOM 2013 O OE1 . GLN A 1 253 ? 37.476 37.234 80.676 1.00 50.41 ? 253 GLN A OE1 1 -ATOM 2014 N NE2 . GLN A 1 253 ? 35.592 36.744 79.561 1.00 45.00 ? 253 GLN A NE2 1 -ATOM 2015 N N . GLU A 1 254 ? 35.875 30.569 78.937 1.00 34.09 ? 254 GLU A N 1 -ATOM 2016 C CA . GLU A 1 254 ? 35.151 29.682 78.024 1.00 38.99 ? 254 GLU A CA 1 -ATOM 2017 C C . GLU A 1 254 ? 33.726 29.297 78.390 1.00 42.44 ? 254 GLU A C 1 -ATOM 2018 O O . GLU A 1 254 ? 32.828 29.370 77.547 1.00 45.84 ? 254 GLU A O 1 -ATOM 2019 C CB . GLU A 1 254 ? 35.956 28.417 77.732 1.00 35.64 ? 254 GLU A CB 1 -ATOM 2020 C CG . GLU A 1 254 ? 37.123 28.608 76.774 1.00 38.05 ? 254 GLU A CG 1 -ATOM 2021 C CD . GLU A 1 254 ? 38.327 29.313 77.390 1.00 45.57 ? 254 GLU A CD 1 -ATOM 2022 O OE1 . GLU A 1 254 ? 38.420 29.399 78.630 1.00 45.59 ? 254 GLU A OE1 1 -ATOM 2023 O OE2 . GLU A 1 254 ? 39.202 29.776 76.625 1.00 49.04 ? 254 GLU A OE2 1 -ATOM 2024 N N . GLN A 1 255 ? 33.500 28.948 79.652 1.00 47.57 ? 255 GLN A N 1 -ATOM 2025 C CA . GLN A 1 255 ? 32.173 28.538 80.124 1.00 51.21 ? 255 GLN A CA 1 -ATOM 2026 C C . GLN A 1 255 ? 31.101 29.631 80.147 1.00 49.64 ? 255 GLN A C 1 -ATOM 2027 O O . GLN A 1 255 ? 29.917 29.341 80.362 1.00 49.71 ? 255 GLN A O 1 -ATOM 2028 C CB . GLN A 1 255 ? 32.290 27.923 81.524 1.00 57.58 ? 255 GLN A CB 1 -ATOM 2029 C CG . GLN A 1 255 ? 33.167 26.678 81.580 1.00 60.16 ? 255 GLN A CG 1 -ATOM 2030 C CD . GLN A 1 255 ? 32.633 25.563 80.702 1.00 61.28 ? 255 GLN A CD 1 -ATOM 2031 O OE1 . GLN A 1 255 ? 33.201 25.256 79.649 1.00 60.26 ? 255 GLN A OE1 1 -ATOM 2032 N NE2 . GLN A 1 255 ? 31.521 24.956 81.125 1.00 58.60 ? 255 GLN A NE2 1 -ATOM 2033 N N . ARG A 1 256 ? 31.520 30.881 79.961 1.00 47.70 ? 256 ARG A N 1 -ATOM 2034 C CA . ARG A 1 256 ? 30.633 32.040 79.981 1.00 44.08 ? 256 ARG A CA 1 -ATOM 2035 C C . ARG A 1 256 ? 29.885 32.285 78.674 1.00 43.87 ? 256 ARG A C 1 -ATOM 2036 O O . ARG A 1 256 ? 28.756 32.790 78.681 1.00 44.09 ? 256 ARG A O 1 -ATOM 2037 C CB . ARG A 1 256 ? 31.427 33.276 80.354 1.00 37.07 ? 256 ARG A CB 1 -ATOM 2038 N N . TYR A 1 257 ? 30.524 31.943 77.559 1.00 45.97 ? 257 TYR A N 1 -ATOM 2039 C CA . TYR A 1 257 ? 29.959 32.142 76.228 1.00 42.74 ? 257 TYR A CA 1 -ATOM 2040 C C . TYR A 1 257 ? 29.026 31.059 75.760 1.00 42.63 ? 257 TYR A C 1 -ATOM 2041 O O . TYR A 1 257 ? 29.264 29.880 76.022 1.00 46.43 ? 257 TYR A O 1 -ATOM 2042 C CB . TYR A 1 257 ? 31.070 32.268 75.205 1.00 34.86 ? 257 TYR A CB 1 -ATOM 2043 C CG . TYR A 1 257 ? 31.885 33.505 75.385 1.00 33.82 ? 257 TYR A CG 1 -ATOM 2044 C CD1 . TYR A 1 257 ? 32.994 33.510 76.220 1.00 34.09 ? 257 TYR A CD1 1 -ATOM 2045 C CD2 . TYR A 1 257 ? 31.545 34.682 74.721 1.00 33.85 ? 257 TYR A CD2 1 -ATOM 2046 C CE1 . TYR A 1 257 ? 33.750 34.658 76.397 1.00 42.25 ? 257 TYR A CE1 1 -ATOM 2047 C CE2 . TYR A 1 257 ? 32.296 35.837 74.880 1.00 40.86 ? 257 TYR A CE2 1 -ATOM 2048 C CZ . TYR A 1 257 ? 33.402 35.819 75.723 1.00 45.31 ? 257 TYR A CZ 1 -ATOM 2049 O OH . TYR A 1 257 ? 34.164 36.954 75.880 1.00 50.71 ? 257 TYR A OH 1 -ATOM 2050 N N . THR A 1 258 ? 27.973 31.464 75.056 1.00 40.82 ? 258 THR A N 1 -ATOM 2051 C CA . THR A 1 258 ? 27.019 30.521 74.493 1.00 42.19 ? 258 THR A CA 1 -ATOM 2052 C C . THR A 1 258 ? 26.656 30.917 73.059 1.00 42.85 ? 258 THR A C 1 -ATOM 2053 O O . THR A 1 258 ? 26.427 32.100 72.777 1.00 42.07 ? 258 THR A O 1 -ATOM 2054 C CB . THR A 1 258 ? 25.730 30.401 75.347 1.00 36.52 ? 258 THR A CB 1 -ATOM 2055 O OG1 . THR A 1 258 ? 25.270 31.701 75.746 1.00 37.98 ? 258 THR A OG1 1 -ATOM 2056 C CG2 . THR A 1 258 ? 25.977 29.531 76.558 1.00 35.24 ? 258 THR A CG2 1 -ATOM 2057 N N . CYS A 1 259 ? 26.655 29.941 72.151 1.00 41.67 ? 259 CYS A N 1 -ATOM 2058 C CA . CYS A 1 259 ? 26.301 30.186 70.751 1.00 38.54 ? 259 CYS A CA 1 -ATOM 2059 C C . CYS A 1 259 ? 24.832 29.855 70.584 1.00 36.37 ? 259 CYS A C 1 -ATOM 2060 O O . CYS A 1 259 ? 24.344 28.877 71.143 1.00 34.93 ? 259 CYS A O 1 -ATOM 2061 C CB . CYS A 1 259 ? 27.136 29.324 69.809 1.00 39.29 ? 259 CYS A CB 1 -ATOM 2062 S SG . CYS A 1 259 ? 26.662 29.456 68.050 1.00 46.88 ? 259 CYS A SG 1 -ATOM 2063 N N . HIS A 1 260 ? 24.123 30.671 69.819 1.00 38.13 ? 260 HIS A N 1 -ATOM 2064 C CA . HIS A 1 260 ? 22.699 30.464 69.629 1.00 40.41 ? 260 HIS A CA 1 -ATOM 2065 C C . HIS A 1 260 ? 22.377 30.404 68.158 1.00 41.81 ? 260 HIS A C 1 -ATOM 2066 O O . HIS A 1 260 ? 22.538 31.398 67.449 1.00 39.29 ? 260 HIS A O 1 -ATOM 2067 C CB . HIS A 1 260 ? 21.933 31.581 70.321 1.00 45.98 ? 260 HIS A CB 1 -ATOM 2068 C CG . HIS A 1 260 ? 22.296 31.727 71.765 1.00 53.09 ? 260 HIS A CG 1 -ATOM 2069 N ND1 . HIS A 1 260 ? 21.543 31.170 72.778 1.00 56.64 ? 260 HIS A ND1 1 -ATOM 2070 C CD2 . HIS A 1 260 ? 23.373 32.288 72.360 1.00 50.52 ? 260 HIS A CD2 1 -ATOM 2071 C CE1 . HIS A 1 260 ? 22.147 31.378 73.934 1.00 58.86 ? 260 HIS A CE1 1 -ATOM 2072 N NE2 . HIS A 1 260 ? 23.261 32.053 73.710 1.00 52.97 ? 260 HIS A NE2 1 -ATOM 2073 N N . VAL A 1 261 ? 21.923 29.223 67.726 1.00 41.41 ? 261 VAL A N 1 -ATOM 2074 C CA . VAL A 1 261 ? 21.588 28.920 66.338 1.00 39.79 ? 261 VAL A CA 1 -ATOM 2075 C C . VAL A 1 261 ? 20.080 28.857 66.149 1.00 42.15 ? 261 VAL A C 1 -ATOM 2076 O O . VAL A 1 261 ? 19.386 28.116 66.857 1.00 41.00 ? 261 VAL A O 1 -ATOM 2077 C CB . VAL A 1 261 ? 22.189 27.552 65.919 1.00 37.98 ? 261 VAL A CB 1 -ATOM 2078 C CG1 . VAL A 1 261 ? 21.932 27.274 64.462 1.00 37.35 ? 261 VAL A CG1 1 -ATOM 2079 C CG2 . VAL A 1 261 ? 23.674 27.508 66.208 1.00 41.29 ? 261 VAL A CG2 1 -ATOM 2080 N N . GLN A 1 262 ? 19.578 29.638 65.195 1.00 43.95 ? 262 GLN A N 1 -ATOM 2081 C CA . GLN A 1 262 ? 18.147 29.679 64.887 1.00 45.05 ? 262 GLN A CA 1 -ATOM 2082 C C . GLN A 1 262 ? 17.963 29.295 63.402 1.00 40.75 ? 262 GLN A C 1 -ATOM 2083 O O . GLN A 1 262 ? 18.638 29.825 62.513 1.00 36.13 ? 262 GLN A O 1 -ATOM 2084 C CB . GLN A 1 262 ? 17.582 31.081 65.195 1.00 51.05 ? 262 GLN A CB 1 -ATOM 2085 C CG . GLN A 1 262 ? 16.161 31.112 65.800 1.00 59.03 ? 262 GLN A CG 1 -ATOM 2086 C CD . GLN A 1 262 ? 15.760 32.499 66.344 1.00 66.29 ? 262 GLN A CD 1 -ATOM 2087 O OE1 . GLN A 1 262 ? 16.401 33.519 66.057 1.00 65.42 ? 262 GLN A OE1 1 -ATOM 2088 N NE2 . GLN A 1 262 ? 14.703 32.528 67.149 1.00 68.38 ? 262 GLN A NE2 1 -ATOM 2089 N N . HIS A 1 263 ? 17.065 28.356 63.139 1.00 36.08 ? 263 HIS A N 1 -ATOM 2090 C CA . HIS A 1 263 ? 16.846 27.903 61.781 1.00 34.37 ? 263 HIS A CA 1 -ATOM 2091 C C . HIS A 1 263 ? 15.533 27.141 61.698 1.00 40.24 ? 263 HIS A C 1 -ATOM 2092 O O . HIS A 1 263 ? 15.186 26.444 62.629 1.00 42.97 ? 263 HIS A O 1 -ATOM 2093 C CB . HIS A 1 263 ? 18.003 26.993 61.382 1.00 33.84 ? 263 HIS A CB 1 -ATOM 2094 C CG . HIS A 1 263 ? 17.949 26.530 59.961 1.00 35.29 ? 263 HIS A CG 1 -ATOM 2095 N ND1 . HIS A 1 263 ? 18.573 27.203 58.933 1.00 30.10 ? 263 HIS A ND1 1 -ATOM 2096 C CD2 . HIS A 1 263 ? 17.346 25.458 59.395 1.00 31.96 ? 263 HIS A CD2 1 -ATOM 2097 C CE1 . HIS A 1 263 ? 18.358 26.570 57.798 1.00 34.14 ? 263 HIS A CE1 1 -ATOM 2098 N NE2 . HIS A 1 263 ? 17.615 25.506 58.052 1.00 37.79 ? 263 HIS A NE2 1 -ATOM 2099 N N . GLU A 1 264 ? 14.837 27.234 60.561 1.00 49.65 ? 264 GLU A N 1 -ATOM 2100 C CA . GLU A 1 264 ? 13.539 26.564 60.342 1.00 48.66 ? 264 GLU A CA 1 -ATOM 2101 C C . GLU A 1 264 ? 13.535 25.064 60.649 1.00 49.12 ? 264 GLU A C 1 -ATOM 2102 O O . GLU A 1 264 ? 12.512 24.504 61.043 1.00 50.79 ? 264 GLU A O 1 -ATOM 2103 C CB . GLU A 1 264 ? 13.049 26.805 58.899 1.00 44.76 ? 264 GLU A CB 1 -ATOM 2104 N N . GLY A 1 265 ? 14.671 24.416 60.418 1.00 49.32 ? 265 GLY A N 1 -ATOM 2105 C CA . GLY A 1 265 ? 14.796 22.993 60.674 1.00 50.92 ? 265 GLY A CA 1 -ATOM 2106 C C . GLY A 1 265 ? 14.866 22.658 62.151 1.00 51.54 ? 265 GLY A C 1 -ATOM 2107 O O . GLY A 1 265 ? 14.631 21.519 62.550 1.00 53.51 ? 265 GLY A O 1 -ATOM 2108 N N . LEU A 1 266 ? 15.229 23.642 62.963 1.00 49.46 ? 266 LEU A N 1 -ATOM 2109 C CA . LEU A 1 266 ? 15.326 23.453 64.406 1.00 48.17 ? 266 LEU A CA 1 -ATOM 2110 C C . LEU A 1 266 ? 13.964 23.710 65.071 1.00 52.64 ? 266 LEU A C 1 -ATOM 2111 O O . LEU A 1 266 ? 13.405 24.814 64.975 1.00 48.59 ? 266 LEU A O 1 -ATOM 2112 C CB . LEU A 1 266 ? 16.395 24.383 64.995 1.00 35.99 ? 266 LEU A CB 1 -ATOM 2113 C CG . LEU A 1 266 ? 17.780 24.241 64.366 1.00 30.22 ? 266 LEU A CG 1 -ATOM 2114 C CD1 . LEU A 1 266 ? 18.726 25.291 64.902 1.00 25.49 ? 266 LEU A CD1 1 -ATOM 2115 C CD2 . LEU A 1 266 ? 18.317 22.852 64.591 1.00 24.40 ? 266 LEU A CD2 1 -ATOM 2116 N N . PRO A 1 267 ? 13.409 22.681 65.750 1.00 56.02 ? 267 PRO A N 1 -ATOM 2117 C CA . PRO A 1 267 ? 12.109 22.830 66.422 1.00 56.07 ? 267 PRO A CA 1 -ATOM 2118 C C . PRO A 1 267 ? 12.268 23.916 67.488 1.00 57.70 ? 267 PRO A C 1 -ATOM 2119 O O . PRO A 1 267 ? 11.486 24.871 67.559 1.00 57.69 ? 267 PRO A O 1 -ATOM 2120 C CB . PRO A 1 267 ? 11.904 21.456 67.070 1.00 54.24 ? 267 PRO A CB 1 -ATOM 2121 C CG . PRO A 1 267 ? 12.749 20.525 66.222 1.00 54.23 ? 267 PRO A CG 1 -ATOM 2122 C CD . PRO A 1 267 ? 13.981 21.346 65.999 1.00 53.61 ? 267 PRO A CD 1 -ATOM 2123 N N . LYS A 1 268 ? 13.319 23.762 68.290 1.00 56.97 ? 268 LYS A N 1 -ATOM 2124 C CA . LYS A 1 268 ? 13.647 24.705 69.354 1.00 55.78 ? 268 LYS A CA 1 -ATOM 2125 C C . LYS A 1 268 ? 15.054 25.219 69.064 1.00 52.33 ? 268 LYS A C 1 -ATOM 2126 O O . LYS A 1 268 ? 15.909 24.470 68.577 1.00 50.71 ? 268 LYS A O 1 -ATOM 2127 C CB . LYS A 1 268 ? 13.603 24.004 70.722 1.00 50.45 ? 268 LYS A CB 1 -ATOM 2128 N N . PRO A 1 269 ? 15.280 26.527 69.263 1.00 49.43 ? 269 PRO A N 1 -ATOM 2129 C CA . PRO A 1 269 ? 16.599 27.120 69.021 1.00 53.68 ? 269 PRO A CA 1 -ATOM 2130 C C . PRO A 1 269 ? 17.693 26.440 69.857 1.00 57.87 ? 269 PRO A C 1 -ATOM 2131 O O . PRO A 1 269 ? 17.493 26.117 71.032 1.00 63.58 ? 269 PRO A O 1 -ATOM 2132 C CB . PRO A 1 269 ? 16.380 28.576 69.426 1.00 53.73 ? 269 PRO A CB 1 -ATOM 2133 C CG . PRO A 1 269 ? 14.958 28.813 69.026 1.00 51.47 ? 269 PRO A CG 1 -ATOM 2134 C CD . PRO A 1 269 ? 14.277 27.567 69.541 1.00 48.43 ? 269 PRO A CD 1 -ATOM 2135 N N . LEU A 1 270 ? 18.838 26.188 69.238 1.00 57.52 ? 270 LEU A N 1 -ATOM 2136 C CA . LEU A 1 270 ? 19.924 25.530 69.933 1.00 55.18 ? 270 LEU A CA 1 -ATOM 2137 C C . LEU A 1 270 ? 20.785 26.555 70.624 1.00 56.33 ? 270 LEU A C 1 -ATOM 2138 O O . LEU A 1 270 ? 20.774 27.739 70.266 1.00 59.13 ? 270 LEU A O 1 -ATOM 2139 C CB . LEU A 1 270 ? 20.806 24.748 68.956 1.00 54.46 ? 270 LEU A CB 1 -ATOM 2140 C CG . LEU A 1 270 ? 20.170 23.718 68.029 1.00 55.02 ? 270 LEU A CG 1 -ATOM 2141 C CD1 . LEU A 1 270 ? 21.268 23.056 67.217 1.00 59.93 ? 270 LEU A CD1 1 -ATOM 2142 C CD2 . LEU A 1 270 ? 19.386 22.687 68.819 1.00 56.98 ? 270 LEU A CD2 1 -ATOM 2143 N N . THR A 1 271 ? 21.536 26.073 71.608 1.00 53.93 ? 271 THR A N 1 -ATOM 2144 C CA . THR A 1 271 ? 22.471 26.872 72.377 1.00 46.98 ? 271 THR A CA 1 -ATOM 2145 C C . THR A 1 271 ? 23.647 25.913 72.578 1.00 41.64 ? 271 THR A C 1 -ATOM 2146 O O . THR A 1 271 ? 23.476 24.809 73.099 1.00 41.80 ? 271 THR A O 1 -ATOM 2147 C CB . THR A 1 271 ? 21.869 27.291 73.749 1.00 51.60 ? 271 THR A CB 1 -ATOM 2148 O OG1 . THR A 1 271 ? 20.701 28.117 73.558 1.00 50.69 ? 271 THR A OG1 1 -ATOM 2149 C CG2 . THR A 1 271 ? 22.895 28.055 74.557 1.00 52.29 ? 271 THR A CG2 1 -ATOM 2150 N N . LEU A 1 272 ? 24.820 26.292 72.086 1.00 40.54 ? 272 LEU A N 1 -ATOM 2151 C CA . LEU A 1 272 ? 26.003 25.443 72.211 1.00 37.65 ? 272 LEU A CA 1 -ATOM 2152 C C . LEU A 1 272 ? 26.943 26.045 73.232 1.00 37.94 ? 272 LEU A C 1 -ATOM 2153 O O . LEU A 1 272 ? 27.214 27.252 73.196 1.00 36.12 ? 272 LEU A O 1 -ATOM 2154 C CB . LEU A 1 272 ? 26.743 25.345 70.877 1.00 34.04 ? 272 LEU A CB 1 -ATOM 2155 C CG . LEU A 1 272 ? 25.987 24.968 69.605 1.00 43.46 ? 272 LEU A CG 1 -ATOM 2156 C CD1 . LEU A 1 272 ? 26.988 24.796 68.469 1.00 38.19 ? 272 LEU A CD1 1 -ATOM 2157 C CD2 . LEU A 1 272 ? 25.206 23.682 69.819 1.00 48.62 ? 272 LEU A CD2 1 -ATOM 2158 N N . ARG A 1 273 ? 27.434 25.208 74.139 1.00 36.44 ? 273 ARG A N 1 -ATOM 2159 C CA . ARG A 1 273 ? 28.375 25.649 75.172 1.00 39.57 ? 273 ARG A CA 1 -ATOM 2160 C C . ARG A 1 273 ? 29.710 24.904 74.938 1.00 39.64 ? 273 ARG A C 1 -ATOM 2161 O O . ARG A 1 273 ? 29.699 23.815 74.383 1.00 36.90 ? 273 ARG A O 1 -ATOM 2162 C CB . ARG A 1 273 ? 27.797 25.337 76.576 1.00 32.47 ? 273 ARG A CB 1 -ATOM 2163 N N . TRP A 1 274 ? 30.844 25.510 75.290 1.00 42.18 ? 274 TRP A N 1 -ATOM 2164 C CA . TRP A 1 274 ? 32.135 24.845 75.106 1.00 46.30 ? 274 TRP A CA 1 -ATOM 2165 C C . TRP A 1 274 ? 32.427 23.913 76.294 1.00 50.65 ? 274 TRP A C 1 -ATOM 2166 O O . TRP A 1 274 ? 33.295 24.174 77.119 1.00 43.13 ? 274 TRP A O 1 -ATOM 2167 C CB . TRP A 1 274 ? 33.246 25.878 74.943 1.00 40.82 ? 274 TRP A CB 1 -ATOM 2168 C CG . TRP A 1 274 ? 34.633 25.307 74.816 1.00 36.41 ? 274 TRP A CG 1 -ATOM 2169 C CD1 . TRP A 1 274 ? 35.689 25.553 75.642 1.00 34.59 ? 274 TRP A CD1 1 -ATOM 2170 C CD2 . TRP A 1 274 ? 35.119 24.416 73.793 1.00 30.60 ? 274 TRP A CD2 1 -ATOM 2171 N NE1 . TRP A 1 274 ? 36.801 24.878 75.203 1.00 38.32 ? 274 TRP A NE1 1 -ATOM 2172 C CE2 . TRP A 1 274 ? 36.483 24.171 74.069 1.00 32.94 ? 274 TRP A CE2 1 -ATOM 2173 C CE3 . TRP A 1 274 ? 34.542 23.808 72.676 1.00 27.74 ? 274 TRP A CE3 1 -ATOM 2174 C CZ2 . TRP A 1 274 ? 37.282 23.341 73.266 1.00 30.71 ? 274 TRP A CZ2 1 -ATOM 2175 C CZ3 . TRP A 1 274 ? 35.333 22.984 71.875 1.00 32.88 ? 274 TRP A CZ3 1 -ATOM 2176 C CH2 . TRP A 1 274 ? 36.691 22.759 72.176 1.00 31.20 ? 274 TRP A CH2 1 -ATOM 2177 N N . GLU A 1 275 ? 31.695 22.810 76.339 1.00 61.33 ? 275 GLU A N 1 -ATOM 2178 C CA . GLU A 1 275 ? 31.808 21.857 77.421 1.00 73.68 ? 275 GLU A CA 1 -ATOM 2179 C C . GLU A 1 275 ? 32.413 20.539 76.950 1.00 77.08 ? 275 GLU A C 1 -ATOM 2180 O O . GLU A 1 275 ? 33.611 20.513 76.643 1.00 78.51 ? 275 GLU A O 1 -ATOM 2181 C CB . GLU A 1 275 ? 30.423 21.634 78.038 1.00 78.31 ? 275 GLU A CB 1 -ATOM 2182 C CG . GLU A 1 275 ? 29.767 22.915 78.568 1.00 91.41 ? 275 GLU A CG 1 -ATOM 2183 C CD . GLU A 1 275 ? 28.379 22.689 79.191 1.00 98.22 ? 275 GLU A CD 1 -ATOM 2184 O OE1 . GLU A 1 275 ? 27.443 22.313 78.453 1.00 100.00 ? 275 GLU A OE1 1 -ATOM 2185 O OE2 . GLU A 1 275 ? 28.214 22.908 80.412 1.00 100.00 ? 275 GLU A OE2 1 -ATOM 2186 O OXT . GLU A 1 275 ? 31.743 19.490 76.947 1.00 81.19 ? 275 GLU A OXT 1 -ATOM 2187 N N . ILE B 2 2 ? 28.359 52.163 42.324 1.00 88.79 ? 1 ILE B N 1 -ATOM 2188 C CA . ILE B 2 2 ? 29.504 52.506 43.222 1.00 86.93 ? 1 ILE B CA 1 -ATOM 2189 C C . ILE B 2 2 ? 30.315 51.230 43.422 1.00 79.61 ? 1 ILE B C 1 -ATOM 2190 O O . ILE B 2 2 ? 29.746 50.161 43.661 1.00 79.44 ? 1 ILE B O 1 -ATOM 2191 C CB . ILE B 2 2 ? 29.014 53.053 44.603 1.00 91.69 ? 1 ILE B CB 1 -ATOM 2192 C CG1 . ILE B 2 2 ? 28.014 54.202 44.396 1.00 96.23 ? 1 ILE B CG1 1 -ATOM 2193 C CG2 . ILE B 2 2 ? 30.204 53.537 45.446 1.00 88.66 ? 1 ILE B CG2 1 -ATOM 2194 C CD1 . ILE B 2 2 ? 28.565 55.387 43.585 1.00 99.05 ? 1 ILE B CD1 1 -ATOM 2195 N N . GLN B 2 3 ? 31.628 51.340 43.248 1.00 68.60 ? 2 GLN B N 1 -ATOM 2196 C CA . GLN B 2 3 ? 32.521 50.201 43.387 1.00 57.16 ? 2 GLN B CA 1 -ATOM 2197 C C . GLN B 2 3 ? 32.591 49.644 44.805 1.00 52.72 ? 2 GLN B C 1 -ATOM 2198 O O . GLN B 2 3 ? 33.028 50.327 45.726 1.00 55.46 ? 2 GLN B O 1 -ATOM 2199 C CB . GLN B 2 3 ? 33.933 50.571 42.917 1.00 55.51 ? 2 GLN B CB 1 -ATOM 2200 C CG . GLN B 2 3 ? 34.062 50.871 41.429 1.00 52.58 ? 2 GLN B CG 1 -ATOM 2201 C CD . GLN B 2 3 ? 35.508 50.996 40.968 1.00 49.51 ? 2 GLN B CD 1 -ATOM 2202 O OE1 . GLN B 2 3 ? 36.441 50.895 41.759 1.00 53.52 ? 2 GLN B OE1 1 -ATOM 2203 N NE2 . GLN B 2 3 ? 35.695 51.203 39.674 1.00 53.60 ? 2 GLN B NE2 1 -ATOM 2204 N N . ARG B 2 4 ? 32.132 48.413 44.980 1.00 47.40 ? 3 ARG B N 1 -ATOM 2205 C CA . ARG B 2 4 ? 32.185 47.748 46.273 1.00 45.51 ? 3 ARG B CA 1 -ATOM 2206 C C . ARG B 2 4 ? 33.148 46.587 46.054 1.00 45.96 ? 3 ARG B C 1 -ATOM 2207 O O . ARG B 2 4 ? 33.058 45.877 45.049 1.00 45.74 ? 3 ARG B O 1 -ATOM 2208 C CB . ARG B 2 4 ? 30.811 47.224 46.694 1.00 47.29 ? 3 ARG B CB 1 -ATOM 2209 C CG . ARG B 2 4 ? 29.696 48.267 46.719 1.00 48.91 ? 3 ARG B CG 1 -ATOM 2210 C CD . ARG B 2 4 ? 28.326 47.614 46.949 1.00 47.40 ? 3 ARG B CD 1 -ATOM 2211 N NE . ARG B 2 4 ? 27.255 48.345 46.274 1.00 51.23 ? 3 ARG B NE 1 -ATOM 2212 C CZ . ARG B 2 4 ? 26.200 47.771 45.705 1.00 54.69 ? 3 ARG B CZ 1 -ATOM 2213 N NH1 . ARG B 2 4 ? 26.060 46.452 45.724 1.00 52.66 ? 3 ARG B NH1 1 -ATOM 2214 N NH2 . ARG B 2 4 ? 25.291 48.516 45.094 1.00 60.15 ? 3 ARG B NH2 1 -ATOM 2215 N N . THR B 2 5 ? 34.080 46.418 46.986 1.00 48.32 ? 4 THR B N 1 -ATOM 2216 C CA . THR B 2 5 ? 35.110 45.380 46.913 1.00 44.22 ? 4 THR B CA 1 -ATOM 2217 C C . THR B 2 5 ? 34.629 43.997 47.368 1.00 38.77 ? 4 THR B C 1 -ATOM 2218 O O . THR B 2 5 ? 33.750 43.882 48.227 1.00 36.63 ? 4 THR B O 1 -ATOM 2219 C CB . THR B 2 5 ? 36.371 45.835 47.708 1.00 50.30 ? 4 THR B CB 1 -ATOM 2220 O OG1 . THR B 2 5 ? 37.536 45.164 47.209 1.00 48.52 ? 4 THR B OG1 1 -ATOM 2221 C CG2 . THR B 2 5 ? 36.200 45.590 49.211 1.00 51.54 ? 4 THR B CG2 1 -ATOM 2222 N N . PRO B 2 6 ? 35.216 42.931 46.798 1.00 35.53 ? 5 PRO B N 1 -ATOM 2223 C CA . PRO B 2 6 ? 34.875 41.539 47.105 1.00 37.33 ? 5 PRO B CA 1 -ATOM 2224 C C . PRO B 2 6 ? 35.056 41.099 48.562 1.00 44.27 ? 5 PRO B C 1 -ATOM 2225 O O . PRO B 2 6 ? 35.989 41.534 49.245 1.00 50.42 ? 5 PRO B O 1 -ATOM 2226 C CB . PRO B 2 6 ? 35.845 40.742 46.218 1.00 27.35 ? 5 PRO B CB 1 -ATOM 2227 C CG . PRO B 2 6 ? 36.258 41.664 45.179 1.00 22.60 ? 5 PRO B CG 1 -ATOM 2228 C CD . PRO B 2 6 ? 36.341 42.986 45.849 1.00 31.38 ? 5 PRO B CD 1 -ATOM 2229 N N . LYS B 2 7 ? 34.176 40.212 49.017 1.00 43.47 ? 6 LYS B N 1 -ATOM 2230 C CA . LYS B 2 7 ? 34.278 39.633 50.350 1.00 46.10 ? 6 LYS B CA 1 -ATOM 2231 C C . LYS B 2 7 ? 34.605 38.169 50.035 1.00 45.92 ? 6 LYS B C 1 -ATOM 2232 O O . LYS B 2 7 ? 33.727 37.392 49.637 1.00 45.10 ? 6 LYS B O 1 -ATOM 2233 C CB . LYS B 2 7 ? 32.964 39.782 51.126 1.00 45.94 ? 6 LYS B CB 1 -ATOM 2234 C CG . LYS B 2 7 ? 32.708 41.211 51.600 1.00 43.20 ? 6 LYS B CG 1 -ATOM 2235 C CD . LYS B 2 7 ? 31.334 41.361 52.229 1.00 45.35 ? 6 LYS B CD 1 -ATOM 2236 C CE . LYS B 2 7 ? 30.239 41.161 51.200 1.00 43.26 ? 6 LYS B CE 1 -ATOM 2237 N NZ . LYS B 2 7 ? 28.886 41.065 51.801 1.00 38.46 ? 6 LYS B NZ 1 -ATOM 2238 N N . ILE B 2 8 ? 35.900 37.858 50.120 1.00 42.01 ? 7 ILE B N 1 -ATOM 2239 C CA . ILE B 2 8 ? 36.469 36.542 49.814 1.00 36.44 ? 7 ILE B CA 1 -ATOM 2240 C C . ILE B 2 8 ? 36.488 35.509 50.954 1.00 39.16 ? 7 ILE B C 1 -ATOM 2241 O O . ILE B 2 8 ? 36.882 35.807 52.088 1.00 42.42 ? 7 ILE B O 1 -ATOM 2242 C CB . ILE B 2 8 ? 37.924 36.724 49.307 1.00 33.09 ? 7 ILE B CB 1 -ATOM 2243 C CG1 . ILE B 2 8 ? 37.992 37.905 48.342 1.00 26.15 ? 7 ILE B CG1 1 -ATOM 2244 C CG2 . ILE B 2 8 ? 38.446 35.458 48.625 1.00 28.95 ? 7 ILE B CG2 1 -ATOM 2245 C CD1 . ILE B 2 8 ? 39.330 38.586 48.348 1.00 18.31 ? 7 ILE B CD1 1 -ATOM 2246 N N . GLN B 2 9 ? 36.128 34.275 50.613 1.00 33.63 ? 8 GLN B N 1 -ATOM 2247 C CA . GLN B 2 9 ? 36.118 33.177 51.559 1.00 31.78 ? 8 GLN B CA 1 -ATOM 2248 C C . GLN B 2 9 ? 36.528 31.901 50.853 1.00 34.61 ? 8 GLN B C 1 -ATOM 2249 O O . GLN B 2 9 ? 35.821 31.458 49.950 1.00 35.25 ? 8 GLN B O 1 -ATOM 2250 C CB . GLN B 2 9 ? 34.725 32.928 52.114 1.00 30.32 ? 8 GLN B CB 1 -ATOM 2251 C CG . GLN B 2 9 ? 34.153 33.963 53.049 1.00 29.61 ? 8 GLN B CG 1 -ATOM 2252 C CD . GLN B 2 9 ? 32.932 33.408 53.766 1.00 29.33 ? 8 GLN B CD 1 -ATOM 2253 O OE1 . GLN B 2 9 ? 32.996 32.337 54.361 1.00 36.74 ? 8 GLN B OE1 1 -ATOM 2254 N NE2 . GLN B 2 9 ? 31.809 34.102 53.673 1.00 31.57 ? 8 GLN B NE2 1 -ATOM 2255 N N . VAL B 2 10 ? 37.641 31.307 51.294 1.00 35.38 ? 9 VAL B N 1 -ATOM 2256 C CA . VAL B 2 10 ? 38.171 30.039 50.765 1.00 31.71 ? 9 VAL B CA 1 -ATOM 2257 C C . VAL B 2 10 ? 37.845 28.978 51.814 1.00 29.53 ? 9 VAL B C 1 -ATOM 2258 O O . VAL B 2 10 ? 38.111 29.172 52.992 1.00 35.84 ? 9 VAL B O 1 -ATOM 2259 C CB . VAL B 2 10 ? 39.714 30.068 50.621 1.00 29.47 ? 9 VAL B CB 1 -ATOM 2260 C CG1 . VAL B 2 10 ? 40.197 28.860 49.837 1.00 22.08 ? 9 VAL B CG1 1 -ATOM 2261 C CG2 . VAL B 2 10 ? 40.163 31.359 49.981 1.00 29.24 ? 9 VAL B CG2 1 -ATOM 2262 N N . TYR B 2 11 ? 37.267 27.868 51.391 1.00 29.43 ? 10 TYR B N 1 -ATOM 2263 C CA . TYR B 2 11 ? 36.897 26.791 52.300 1.00 30.08 ? 10 TYR B CA 1 -ATOM 2264 C C . TYR B 2 11 ? 36.650 25.520 51.504 1.00 35.03 ? 10 TYR B C 1 -ATOM 2265 O O . TYR B 2 11 ? 36.648 25.549 50.285 1.00 39.52 ? 10 TYR B O 1 -ATOM 2266 C CB . TYR B 2 11 ? 35.626 27.155 53.071 1.00 27.44 ? 10 TYR B CB 1 -ATOM 2267 C CG . TYR B 2 11 ? 34.464 27.584 52.205 1.00 25.41 ? 10 TYR B CG 1 -ATOM 2268 C CD1 . TYR B 2 11 ? 34.384 28.892 51.718 1.00 32.43 ? 10 TYR B CD1 1 -ATOM 2269 C CD2 . TYR B 2 11 ? 33.434 26.698 51.887 1.00 23.49 ? 10 TYR B CD2 1 -ATOM 2270 C CE1 . TYR B 2 11 ? 33.307 29.315 50.936 1.00 31.78 ? 10 TYR B CE1 1 -ATOM 2271 C CE2 . TYR B 2 11 ? 32.343 27.108 51.103 1.00 27.41 ? 10 TYR B CE2 1 -ATOM 2272 C CZ . TYR B 2 11 ? 32.290 28.422 50.631 1.00 32.32 ? 10 TYR B CZ 1 -ATOM 2273 O OH . TYR B 2 11 ? 31.230 28.845 49.856 1.00 35.84 ? 10 TYR B OH 1 -ATOM 2274 N N . SER B 2 12 ? 36.424 24.406 52.178 1.00 33.51 ? 11 SER B N 1 -ATOM 2275 C CA . SER B 2 12 ? 36.168 23.167 51.480 1.00 35.29 ? 11 SER B CA 1 -ATOM 2276 C C . SER B 2 12 ? 34.714 22.827 51.765 1.00 39.42 ? 11 SER B C 1 -ATOM 2277 O O . SER B 2 12 ? 34.151 23.314 52.748 1.00 41.66 ? 11 SER B O 1 -ATOM 2278 C CB . SER B 2 12 ? 37.125 22.083 51.967 1.00 41.18 ? 11 SER B CB 1 -ATOM 2279 O OG . SER B 2 12 ? 37.250 22.100 53.381 1.00 46.30 ? 11 SER B OG 1 -ATOM 2280 N N . ARG B 2 13 ? 34.089 22.038 50.895 1.00 40.02 ? 12 ARG B N 1 -ATOM 2281 C CA . ARG B 2 13 ? 32.677 21.685 51.072 1.00 43.55 ? 12 ARG B CA 1 -ATOM 2282 C C . ARG B 2 13 ? 32.389 20.831 52.318 1.00 44.86 ? 12 ARG B C 1 -ATOM 2283 O O . ARG B 2 13 ? 31.440 21.078 53.078 1.00 41.53 ? 12 ARG B O 1 -ATOM 2284 C CB . ARG B 2 13 ? 32.148 20.972 49.827 1.00 41.27 ? 12 ARG B CB 1 -ATOM 2285 C CG . ARG B 2 13 ? 30.665 20.658 49.906 1.00 46.06 ? 12 ARG B CG 1 -ATOM 2286 C CD . ARG B 2 13 ? 30.214 19.792 48.758 1.00 44.49 ? 12 ARG B CD 1 -ATOM 2287 N NE . ARG B 2 13 ? 30.428 20.438 47.472 1.00 41.93 ? 12 ARG B NE 1 -ATOM 2288 C CZ . ARG B 2 13 ? 30.324 19.821 46.299 1.00 40.76 ? 12 ARG B CZ 1 -ATOM 2289 N NH1 . ARG B 2 13 ? 30.012 18.533 46.237 1.00 31.38 ? 12 ARG B NH1 1 -ATOM 2290 N NH2 . ARG B 2 13 ? 30.534 20.500 45.181 1.00 40.62 ? 12 ARG B NH2 1 -ATOM 2291 N N . HIS B 2 14 ? 33.180 19.778 52.469 1.00 47.41 ? 13 HIS B N 1 -ATOM 2292 C CA . HIS B 2 14 ? 33.055 18.853 53.578 1.00 45.94 ? 13 HIS B CA 1 -ATOM 2293 C C . HIS B 2 14 ? 34.254 19.074 54.506 1.00 52.70 ? 13 HIS B C 1 -ATOM 2294 O O . HIS B 2 14 ? 35.231 19.732 54.114 1.00 51.01 ? 13 HIS B O 1 -ATOM 2295 C CB . HIS B 2 14 ? 33.063 17.425 53.032 1.00 36.57 ? 13 HIS B CB 1 -ATOM 2296 C CG . HIS B 2 14 ? 32.045 17.178 51.962 1.00 32.63 ? 13 HIS B CG 1 -ATOM 2297 N ND1 . HIS B 2 14 ? 30.689 17.325 52.171 1.00 38.96 ? 13 HIS B ND1 1 -ATOM 2298 C CD2 . HIS B 2 14 ? 32.183 16.759 50.683 1.00 35.51 ? 13 HIS B CD2 1 -ATOM 2299 C CE1 . HIS B 2 14 ? 30.036 17.002 51.070 1.00 35.09 ? 13 HIS B CE1 1 -ATOM 2300 N NE2 . HIS B 2 14 ? 30.918 16.655 50.151 1.00 38.48 ? 13 HIS B NE2 1 -ATOM 2301 N N . PRO B 2 15 ? 34.175 18.594 55.767 1.00 55.92 ? 14 PRO B N 1 -ATOM 2302 C CA . PRO B 2 15 ? 35.315 18.788 56.669 1.00 55.18 ? 14 PRO B CA 1 -ATOM 2303 C C . PRO B 2 15 ? 36.587 18.175 56.072 1.00 56.57 ? 14 PRO B C 1 -ATOM 2304 O O . PRO B 2 15 ? 36.598 17.013 55.649 1.00 54.73 ? 14 PRO B O 1 -ATOM 2305 C CB . PRO B 2 15 ? 34.858 18.071 57.936 1.00 54.41 ? 14 PRO B CB 1 -ATOM 2306 C CG . PRO B 2 15 ? 33.382 18.352 57.937 1.00 50.80 ? 14 PRO B CG 1 -ATOM 2307 C CD . PRO B 2 15 ? 33.020 18.045 56.505 1.00 56.18 ? 14 PRO B CD 1 -ATOM 2308 N N . ALA B 2 16 ? 37.634 18.992 55.991 1.00 59.29 ? 15 ALA B N 1 -ATOM 2309 C CA . ALA B 2 16 ? 38.916 18.588 55.428 1.00 62.31 ? 15 ALA B CA 1 -ATOM 2310 C C . ALA B 2 16 ? 39.523 17.342 56.076 1.00 65.83 ? 15 ALA B C 1 -ATOM 2311 O O . ALA B 2 16 ? 40.105 17.410 57.163 1.00 66.80 ? 15 ALA B O 1 -ATOM 2312 C CB . ALA B 2 16 ? 39.899 19.758 55.489 1.00 54.51 ? 15 ALA B CB 1 -ATOM 2313 N N . GLU B 2 17 ? 39.361 16.203 55.412 1.00 66.12 ? 16 GLU B N 1 -ATOM 2314 C CA . GLU B 2 17 ? 39.911 14.953 55.904 1.00 69.34 ? 16 GLU B CA 1 -ATOM 2315 C C . GLU B 2 17 ? 41.012 14.506 54.954 1.00 65.44 ? 16 GLU B C 1 -ATOM 2316 O O . GLU B 2 17 ? 40.719 14.065 53.847 1.00 67.29 ? 16 GLU B O 1 -ATOM 2317 C CB . GLU B 2 17 ? 38.818 13.886 55.997 1.00 77.80 ? 16 GLU B CB 1 -ATOM 2318 C CG . GLU B 2 17 ? 37.817 14.114 57.139 1.00 90.03 ? 16 GLU B CG 1 -ATOM 2319 C CD . GLU B 2 17 ? 36.854 12.941 57.350 1.00 97.13 ? 16 GLU B CD 1 -ATOM 2320 O OE1 . GLU B 2 17 ? 37.254 11.774 57.120 1.00 99.97 ? 16 GLU B OE1 1 -ATOM 2321 O OE2 . GLU B 2 17 ? 35.696 13.185 57.760 1.00 99.24 ? 16 GLU B OE2 1 -ATOM 2322 N N . ASN B 2 18 ? 42.268 14.638 55.388 1.00 61.50 ? 17 ASN B N 1 -ATOM 2323 C CA . ASN B 2 18 ? 43.445 14.264 54.590 1.00 56.95 ? 17 ASN B CA 1 -ATOM 2324 C C . ASN B 2 18 ? 43.304 12.956 53.842 1.00 59.89 ? 17 ASN B C 1 -ATOM 2325 O O . ASN B 2 18 ? 42.844 11.968 54.405 1.00 64.97 ? 17 ASN B O 1 -ATOM 2326 C CB . ASN B 2 18 ? 44.684 14.177 55.470 1.00 48.13 ? 17 ASN B CB 1 -ATOM 2327 C CG . ASN B 2 18 ? 45.064 15.499 56.041 1.00 46.58 ? 17 ASN B CG 1 -ATOM 2328 O OD1 . ASN B 2 18 ? 44.332 16.467 55.901 1.00 46.33 ? 17 ASN B OD1 1 -ATOM 2329 N ND2 . ASN B 2 18 ? 46.212 15.560 56.694 1.00 47.33 ? 17 ASN B ND2 1 -ATOM 2330 N N . GLY B 2 19 ? 43.718 12.949 52.579 1.00 59.88 ? 18 GLY B N 1 -ATOM 2331 C CA . GLY B 2 19 ? 43.627 11.747 51.773 1.00 60.08 ? 18 GLY B CA 1 -ATOM 2332 C C . GLY B 2 19 ? 42.234 11.475 51.235 1.00 61.89 ? 18 GLY B C 1 -ATOM 2333 O O . GLY B 2 19 ? 42.068 10.598 50.385 1.00 63.12 ? 18 GLY B O 1 -ATOM 2334 N N . LYS B 2 20 ? 41.244 12.246 51.686 1.00 63.16 ? 19 LYS B N 1 -ATOM 2335 C CA . LYS B 2 20 ? 39.856 12.075 51.247 1.00 67.37 ? 19 LYS B CA 1 -ATOM 2336 C C . LYS B 2 20 ? 39.355 13.188 50.308 1.00 69.30 ? 19 LYS B C 1 -ATOM 2337 O O . LYS B 2 20 ? 39.545 14.384 50.568 1.00 66.94 ? 19 LYS B O 1 -ATOM 2338 C CB . LYS B 2 20 ? 38.924 11.927 52.462 1.00 65.83 ? 19 LYS B CB 1 -ATOM 2339 N N . SER B 2 21 ? 38.722 12.763 49.213 1.00 72.77 ? 20 SER B N 1 -ATOM 2340 C CA . SER B 2 21 ? 38.169 13.648 48.184 1.00 73.87 ? 20 SER B CA 1 -ATOM 2341 C C . SER B 2 21 ? 37.151 14.646 48.728 1.00 70.84 ? 20 SER B C 1 -ATOM 2342 O O . SER B 2 21 ? 36.191 14.279 49.409 1.00 70.59 ? 20 SER B O 1 -ATOM 2343 C CB . SER B 2 21 ? 37.514 12.815 47.082 1.00 76.53 ? 20 SER B CB 1 -ATOM 2344 O OG . SER B 2 21 ? 38.360 11.745 46.693 1.00 86.99 ? 20 SER B OG 1 -ATOM 2345 N N . ASN B 2 22 ? 37.329 15.903 48.351 1.00 65.49 ? 21 ASN B N 1 -ATOM 2346 C CA . ASN B 2 22 ? 36.459 16.977 48.800 1.00 59.00 ? 21 ASN B CA 1 -ATOM 2347 C C . ASN B 2 22 ? 36.529 18.031 47.687 1.00 60.13 ? 21 ASN B C 1 -ATOM 2348 O O . ASN B 2 22 ? 37.054 17.753 46.598 1.00 62.77 ? 21 ASN B O 1 -ATOM 2349 C CB . ASN B 2 22 ? 37.028 17.518 50.120 1.00 54.69 ? 21 ASN B CB 1 -ATOM 2350 C CG . ASN B 2 22 ? 36.071 18.436 50.864 1.00 46.85 ? 21 ASN B CG 1 -ATOM 2351 O OD1 . ASN B 2 22 ? 34.943 18.682 50.442 1.00 44.91 ? 21 ASN B OD1 1 -ATOM 2352 N ND2 . ASN B 2 22 ? 36.524 18.941 51.990 1.00 45.60 ? 21 ASN B ND2 1 -ATOM 2353 N N . PHE B 2 23 ? 35.972 19.214 47.930 1.00 56.56 ? 22 PHE B N 1 -ATOM 2354 C CA . PHE B 2 23 ? 35.997 20.289 46.951 1.00 49.28 ? 22 PHE B CA 1 -ATOM 2355 C C . PHE B 2 23 ? 36.501 21.563 47.575 1.00 46.80 ? 22 PHE B C 1 -ATOM 2356 O O . PHE B 2 23 ? 36.196 21.866 48.735 1.00 45.11 ? 22 PHE B O 1 -ATOM 2357 C CB . PHE B 2 23 ? 34.611 20.537 46.384 1.00 52.40 ? 22 PHE B CB 1 -ATOM 2358 C CG . PHE B 2 23 ? 34.164 19.494 45.415 1.00 58.83 ? 22 PHE B CG 1 -ATOM 2359 C CD1 . PHE B 2 23 ? 33.640 18.281 45.862 1.00 58.46 ? 22 PHE B CD1 1 -ATOM 2360 C CD2 . PHE B 2 23 ? 34.251 19.727 44.048 1.00 61.12 ? 22 PHE B CD2 1 -ATOM 2361 C CE1 . PHE B 2 23 ? 33.210 17.312 44.961 1.00 56.47 ? 22 PHE B CE1 1 -ATOM 2362 C CE2 . PHE B 2 23 ? 33.822 18.765 43.135 1.00 61.55 ? 22 PHE B CE2 1 -ATOM 2363 C CZ . PHE B 2 23 ? 33.298 17.553 43.593 1.00 59.31 ? 22 PHE B CZ 1 -ATOM 2364 N N . LEU B 2 24 ? 37.346 22.262 46.830 1.00 45.03 ? 23 LEU B N 1 -ATOM 2365 C CA . LEU B 2 24 ? 37.896 23.528 47.279 1.00 42.35 ? 23 LEU B CA 1 -ATOM 2366 C C . LEU B 2 24 ? 36.998 24.626 46.738 1.00 40.88 ? 23 LEU B C 1 -ATOM 2367 O O . LEU B 2 24 ? 36.817 24.760 45.531 1.00 47.81 ? 23 LEU B O 1 -ATOM 2368 C CB . LEU B 2 24 ? 39.323 23.712 46.779 1.00 37.10 ? 23 LEU B CB 1 -ATOM 2369 C CG . LEU B 2 24 ? 40.010 24.945 47.352 1.00 36.36 ? 23 LEU B CG 1 -ATOM 2370 C CD1 . LEU B 2 24 ? 39.951 24.941 48.875 1.00 28.89 ? 23 LEU B CD1 1 -ATOM 2371 C CD2 . LEU B 2 24 ? 41.438 24.951 46.871 1.00 39.94 ? 23 LEU B CD2 1 -ATOM 2372 N N . ASN B 2 25 ? 36.414 25.387 47.648 1.00 39.58 ? 24 ASN B N 1 -ATOM 2373 C CA . ASN B 2 25 ? 35.504 26.465 47.303 1.00 34.99 ? 24 ASN B CA 1 -ATOM 2374 C C . ASN B 2 25 ? 36.101 27.854 47.549 1.00 32.98 ? 24 ASN B C 1 -ATOM 2375 O O . ASN B 2 25 ? 36.902 28.048 48.461 1.00 32.50 ? 24 ASN B O 1 -ATOM 2376 C CB . ASN B 2 25 ? 34.186 26.323 48.100 1.00 29.86 ? 24 ASN B CB 1 -ATOM 2377 C CG . ASN B 2 25 ? 33.349 25.117 47.673 1.00 27.79 ? 24 ASN B CG 1 -ATOM 2378 O OD1 . ASN B 2 25 ? 33.667 24.435 46.709 1.00 40.64 ? 24 ASN B OD1 1 -ATOM 2379 N ND2 . ASN B 2 25 ? 32.264 24.867 48.385 1.00 29.57 ? 24 ASN B ND2 1 -ATOM 2380 N N . CYS B 2 26 ? 35.809 28.783 46.650 1.00 31.32 ? 25 CYS B N 1 -ATOM 2381 C CA . CYS B 2 26 ? 36.224 30.163 46.824 1.00 26.38 ? 25 CYS B CA 1 -ATOM 2382 C C . CYS B 2 26 ? 34.909 30.876 46.549 1.00 28.23 ? 25 CYS B C 1 -ATOM 2383 O O . CYS B 2 26 ? 34.172 30.498 45.651 1.00 33.37 ? 25 CYS B O 1 -ATOM 2384 C CB . CYS B 2 26 ? 37.325 30.591 45.870 1.00 22.65 ? 25 CYS B CB 1 -ATOM 2385 S SG . CYS B 2 26 ? 37.950 32.261 46.290 1.00 27.42 ? 25 CYS B SG 1 -ATOM 2386 N N . TYR B 2 27 ? 34.543 31.801 47.415 1.00 26.85 ? 26 TYR B N 1 -ATOM 2387 C CA . TYR B 2 27 ? 33.283 32.502 47.286 1.00 22.67 ? 26 TYR B CA 1 -ATOM 2388 C C . TYR B 2 27 ? 33.654 33.938 47.469 1.00 27.36 ? 26 TYR B C 1 -ATOM 2389 O O . TYR B 2 27 ? 34.409 34.264 48.379 1.00 34.28 ? 26 TYR B O 1 -ATOM 2390 C CB . TYR B 2 27 ? 32.347 32.043 48.416 1.00 28.46 ? 26 TYR B CB 1 -ATOM 2391 C CG . TYR B 2 27 ? 30.936 32.602 48.402 1.00 25.30 ? 26 TYR B CG 1 -ATOM 2392 C CD1 . TYR B 2 27 ? 30.021 32.236 47.407 1.00 18.89 ? 26 TYR B CD1 1 -ATOM 2393 C CD2 . TYR B 2 27 ? 30.512 33.494 49.392 1.00 24.13 ? 26 TYR B CD2 1 -ATOM 2394 C CE1 . TYR B 2 27 ? 28.719 32.747 47.396 1.00 19.03 ? 26 TYR B CE1 1 -ATOM 2395 C CE2 . TYR B 2 27 ? 29.212 34.009 49.390 1.00 21.25 ? 26 TYR B CE2 1 -ATOM 2396 C CZ . TYR B 2 27 ? 28.325 33.632 48.389 1.00 25.52 ? 26 TYR B CZ 1 -ATOM 2397 O OH . TYR B 2 27 ? 27.053 34.151 48.380 1.00 30.02 ? 26 TYR B OH 1 -ATOM 2398 N N . VAL B 2 28 ? 33.241 34.770 46.529 1.00 28.46 ? 27 VAL B N 1 -ATOM 2399 C CA . VAL B 2 28 ? 33.506 36.200 46.589 1.00 24.41 ? 27 VAL B CA 1 -ATOM 2400 C C . VAL B 2 28 ? 32.125 36.822 46.499 1.00 20.22 ? 27 VAL B C 1 -ATOM 2401 O O . VAL B 2 28 ? 31.274 36.322 45.779 1.00 19.48 ? 27 VAL B O 1 -ATOM 2402 C CB . VAL B 2 28 ? 34.401 36.653 45.418 1.00 26.87 ? 27 VAL B CB 1 -ATOM 2403 C CG1 . VAL B 2 28 ? 35.797 36.097 45.574 1.00 24.99 ? 27 VAL B CG1 1 -ATOM 2404 C CG2 . VAL B 2 28 ? 33.837 36.163 44.103 1.00 39.70 ? 27 VAL B CG2 1 -ATOM 2405 N N . SER B 2 29 ? 31.863 37.869 47.263 1.00 22.39 ? 28 SER B N 1 -ATOM 2406 C CA . SER B 2 29 ? 30.539 38.453 47.220 1.00 21.84 ? 28 SER B CA 1 -ATOM 2407 C C . SER B 2 29 ? 30.543 39.915 47.580 1.00 21.57 ? 28 SER B C 1 -ATOM 2408 O O . SER B 2 29 ? 31.590 40.482 47.876 1.00 23.72 ? 28 SER B O 1 -ATOM 2409 C CB . SER B 2 29 ? 29.605 37.701 48.166 1.00 29.46 ? 28 SER B CB 1 -ATOM 2410 O OG . SER B 2 29 ? 29.985 37.912 49.511 1.00 40.78 ? 28 SER B OG 1 -ATOM 2411 N N . GLY B 2 30 ? 29.360 40.519 47.524 1.00 18.00 ? 29 GLY B N 1 -ATOM 2412 C CA . GLY B 2 30 ? 29.211 41.921 47.843 1.00 21.22 ? 29 GLY B CA 1 -ATOM 2413 C C . GLY B 2 30 ? 30.045 42.871 47.006 1.00 26.36 ? 29 GLY B C 1 -ATOM 2414 O O . GLY B 2 30 ? 30.348 43.971 47.472 1.00 32.16 ? 29 GLY B O 1 -ATOM 2415 N N . PHE B 2 31 ? 30.411 42.473 45.781 1.00 32.90 ? 30 PHE B N 1 -ATOM 2416 C CA . PHE B 2 31 ? 31.200 43.336 44.886 1.00 26.74 ? 30 PHE B CA 1 -ATOM 2417 C C . PHE B 2 31 ? 30.413 43.996 43.756 1.00 28.08 ? 30 PHE B C 1 -ATOM 2418 O O . PHE B 2 31 ? 29.242 43.678 43.494 1.00 20.38 ? 30 PHE B O 1 -ATOM 2419 C CB . PHE B 2 31 ? 32.425 42.622 44.309 1.00 22.86 ? 30 PHE B CB 1 -ATOM 2420 C CG . PHE B 2 31 ? 32.129 41.308 43.632 1.00 28.09 ? 30 PHE B CG 1 -ATOM 2421 C CD1 . PHE B 2 31 ? 31.774 40.189 44.369 1.00 30.98 ? 30 PHE B CD1 1 -ATOM 2422 C CD2 . PHE B 2 31 ? 32.260 41.175 42.259 1.00 34.85 ? 30 PHE B CD2 1 -ATOM 2423 C CE1 . PHE B 2 31 ? 31.560 38.952 43.749 1.00 32.07 ? 30 PHE B CE1 1 -ATOM 2424 C CE2 . PHE B 2 31 ? 32.049 39.941 41.634 1.00 35.09 ? 30 PHE B CE2 1 -ATOM 2425 C CZ . PHE B 2 31 ? 31.698 38.831 42.385 1.00 30.57 ? 30 PHE B CZ 1 -ATOM 2426 N N . HIS B 2 32 ? 31.032 45.014 43.175 1.00 30.56 ? 31 HIS B N 1 -ATOM 2427 C CA . HIS B 2 32 ? 30.446 45.735 42.060 1.00 34.97 ? 31 HIS B CA 1 -ATOM 2428 C C . HIS B 2 32 ? 31.508 46.676 41.498 1.00 39.34 ? 31 HIS B C 1 -ATOM 2429 O O . HIS B 2 32 ? 32.164 47.397 42.259 1.00 38.48 ? 31 HIS B O 1 -ATOM 2430 C CB . HIS B 2 32 ? 29.205 46.517 42.491 1.00 34.39 ? 31 HIS B CB 1 -ATOM 2431 C CG . HIS B 2 32 ? 28.246 46.778 41.370 1.00 38.46 ? 31 HIS B CG 1 -ATOM 2432 N ND1 . HIS B 2 32 ? 28.541 47.618 40.315 1.00 33.37 ? 31 HIS B ND1 1 -ATOM 2433 C CD2 . HIS B 2 32 ? 27.015 46.273 41.115 1.00 36.07 ? 31 HIS B CD2 1 -ATOM 2434 C CE1 . HIS B 2 32 ? 27.536 47.615 39.459 1.00 36.15 ? 31 HIS B CE1 1 -ATOM 2435 N NE2 . HIS B 2 32 ? 26.596 46.806 39.919 1.00 36.80 ? 31 HIS B NE2 1 -ATOM 2436 N N . PRO B 2 33 ? 31.732 46.646 40.168 1.00 41.68 ? 32 PRO B N 1 -ATOM 2437 C CA . PRO B 2 33 ? 31.100 45.846 39.111 1.00 37.21 ? 32 PRO B CA 1 -ATOM 2438 C C . PRO B 2 33 ? 31.447 44.360 39.145 1.00 37.00 ? 32 PRO B C 1 -ATOM 2439 O O . PRO B 2 33 ? 32.304 43.945 39.922 1.00 34.18 ? 32 PRO B O 1 -ATOM 2440 C CB . PRO B 2 33 ? 31.645 46.489 37.850 1.00 42.97 ? 32 PRO B CB 1 -ATOM 2441 C CG . PRO B 2 33 ? 33.031 46.864 38.272 1.00 39.36 ? 32 PRO B CG 1 -ATOM 2442 C CD . PRO B 2 33 ? 32.767 47.527 39.584 1.00 39.41 ? 32 PRO B CD 1 -ATOM 2443 N N . SER B 2 34 ? 30.826 43.601 38.235 1.00 43.99 ? 33 SER B N 1 -ATOM 2444 C CA . SER B 2 34 ? 30.987 42.136 38.098 1.00 48.99 ? 33 SER B CA 1 -ATOM 2445 C C . SER B 2 34 ? 32.299 41.557 37.550 1.00 49.65 ? 33 SER B C 1 -ATOM 2446 O O . SER B 2 34 ? 32.574 40.372 37.755 1.00 47.72 ? 33 SER B O 1 -ATOM 2447 C CB . SER B 2 34 ? 29.826 41.552 37.287 1.00 46.69 ? 33 SER B CB 1 -ATOM 2448 O OG . SER B 2 34 ? 29.666 42.263 36.071 1.00 50.66 ? 33 SER B OG 1 -ATOM 2449 N N . ASP B 2 35 ? 33.051 42.330 36.771 1.00 52.40 ? 34 ASP B N 1 -ATOM 2450 C CA . ASP B 2 35 ? 34.326 41.829 36.251 1.00 54.84 ? 34 ASP B CA 1 -ATOM 2451 C C . ASP B 2 35 ? 35.254 41.483 37.421 1.00 51.51 ? 34 ASP B C 1 -ATOM 2452 O O . ASP B 2 35 ? 35.700 42.367 38.169 1.00 49.48 ? 34 ASP B O 1 -ATOM 2453 C CB . ASP B 2 35 ? 34.997 42.862 35.342 1.00 60.55 ? 34 ASP B CB 1 -ATOM 2454 C CG . ASP B 2 35 ? 34.537 42.760 33.903 1.00 71.54 ? 34 ASP B CG 1 -ATOM 2455 O OD1 . ASP B 2 35 ? 33.361 43.076 33.613 1.00 76.04 ? 34 ASP B OD1 1 -ATOM 2456 O OD2 . ASP B 2 35 ? 35.365 42.359 33.057 1.00 77.12 ? 34 ASP B OD2 1 -ATOM 2457 N N . ILE B 2 36 ? 35.526 40.193 37.584 1.00 45.68 ? 35 ILE B N 1 -ATOM 2458 C CA . ILE B 2 36 ? 36.383 39.739 38.666 1.00 38.10 ? 35 ILE B CA 1 -ATOM 2459 C C . ILE B 2 36 ? 37.172 38.497 38.254 1.00 35.05 ? 35 ILE B C 1 -ATOM 2460 O O . ILE B 2 36 ? 36.648 37.602 37.588 1.00 28.28 ? 35 ILE B O 1 -ATOM 2461 C CB . ILE B 2 36 ? 35.537 39.474 39.949 1.00 36.61 ? 35 ILE B CB 1 -ATOM 2462 C CG1 . ILE B 2 36 ? 36.445 39.307 41.174 1.00 32.75 ? 35 ILE B CG1 1 -ATOM 2463 C CG2 . ILE B 2 36 ? 34.592 38.290 39.734 1.00 28.97 ? 35 ILE B CG2 1 -ATOM 2464 C CD1 . ILE B 2 36 ? 35.697 39.139 42.478 1.00 28.53 ? 35 ILE B CD1 1 -ATOM 2465 N N . GLU B 2 37 ? 38.457 38.484 38.593 1.00 34.65 ? 36 GLU B N 1 -ATOM 2466 C CA . GLU B 2 37 ? 39.305 37.353 38.269 1.00 38.83 ? 36 GLU B CA 1 -ATOM 2467 C C . GLU B 2 37 ? 39.577 36.590 39.564 1.00 38.17 ? 36 GLU B C 1 -ATOM 2468 O O . GLU B 2 37 ? 39.998 37.183 40.558 1.00 36.50 ? 36 GLU B O 1 -ATOM 2469 C CB . GLU B 2 37 ? 40.614 37.814 37.627 1.00 40.94 ? 36 GLU B CB 1 -ATOM 2470 C CG . GLU B 2 37 ? 41.266 36.718 36.793 1.00 57.22 ? 36 GLU B CG 1 -ATOM 2471 C CD . GLU B 2 37 ? 42.643 37.091 36.251 1.00 65.54 ? 36 GLU B CD 1 -ATOM 2472 O OE1 . GLU B 2 37 ? 43.048 38.267 36.402 1.00 68.11 ? 36 GLU B OE1 1 -ATOM 2473 O OE2 . GLU B 2 37 ? 43.322 36.195 35.682 1.00 64.72 ? 36 GLU B OE2 1 -ATOM 2474 N N . VAL B 2 38 ? 39.309 35.285 39.542 1.00 38.95 ? 37 VAL B N 1 -ATOM 2475 C CA . VAL B 2 38 ? 39.480 34.404 40.699 1.00 39.88 ? 37 VAL B CA 1 -ATOM 2476 C C . VAL B 2 38 ? 40.167 33.065 40.365 1.00 42.13 ? 37 VAL B C 1 -ATOM 2477 O O . VAL B 2 38 ? 39.609 32.226 39.645 1.00 42.55 ? 37 VAL B O 1 -ATOM 2478 C CB . VAL B 2 38 ? 38.108 34.057 41.335 1.00 36.19 ? 37 VAL B CB 1 -ATOM 2479 C CG1 . VAL B 2 38 ? 38.303 33.201 42.570 1.00 38.65 ? 37 VAL B CG1 1 -ATOM 2480 C CG2 . VAL B 2 38 ? 37.338 35.309 41.670 1.00 34.41 ? 37 VAL B CG2 1 -ATOM 2481 N N . ASP B 2 39 ? 41.339 32.840 40.948 1.00 43.05 ? 38 ASP B N 1 -ATOM 2482 C CA . ASP B 2 39 ? 42.085 31.608 40.731 1.00 45.13 ? 38 ASP B CA 1 -ATOM 2483 C C . ASP B 2 39 ? 42.252 30.842 42.046 1.00 43.97 ? 38 ASP B C 1 -ATOM 2484 O O . ASP B 2 39 ? 42.478 31.431 43.101 1.00 41.31 ? 38 ASP B O 1 -ATOM 2485 C CB . ASP B 2 39 ? 43.496 31.902 40.188 1.00 50.55 ? 38 ASP B CB 1 -ATOM 2486 C CG . ASP B 2 39 ? 43.490 32.723 38.915 1.00 54.96 ? 38 ASP B CG 1 -ATOM 2487 O OD1 . ASP B 2 39 ? 42.693 32.413 38.001 1.00 62.46 ? 38 ASP B OD1 1 -ATOM 2488 O OD2 . ASP B 2 39 ? 44.312 33.665 38.823 1.00 53.86 ? 38 ASP B OD2 1 -ATOM 2489 N N . LEU B 2 40 ? 42.113 29.529 41.976 1.00 41.09 ? 39 LEU B N 1 -ATOM 2490 C CA . LEU B 2 40 ? 42.326 28.687 43.135 1.00 42.59 ? 39 LEU B CA 1 -ATOM 2491 C C . LEU B 2 40 ? 43.772 28.212 42.946 1.00 45.15 ? 39 LEU B C 1 -ATOM 2492 O O . LEU B 2 40 ? 44.142 27.793 41.851 1.00 49.95 ? 39 LEU B O 1 -ATOM 2493 C CB . LEU B 2 40 ? 41.358 27.500 43.136 1.00 38.11 ? 39 LEU B CB 1 -ATOM 2494 C CG . LEU B 2 40 ? 39.912 27.730 43.569 1.00 31.62 ? 39 LEU B CG 1 -ATOM 2495 C CD1 . LEU B 2 40 ? 39.236 26.384 43.651 1.00 28.49 ? 39 LEU B CD1 1 -ATOM 2496 C CD2 . LEU B 2 40 ? 39.852 28.420 44.920 1.00 31.65 ? 39 LEU B CD2 1 -ATOM 2497 N N . LEU B 2 41 ? 44.595 28.283 43.986 1.00 46.05 ? 40 LEU B N 1 -ATOM 2498 C CA . LEU B 2 41 ? 45.992 27.885 43.856 1.00 47.87 ? 40 LEU B CA 1 -ATOM 2499 C C . LEU B 2 41 ? 46.401 26.719 44.720 1.00 49.65 ? 40 LEU B C 1 -ATOM 2500 O O . LEU B 2 41 ? 45.896 26.550 45.829 1.00 51.53 ? 40 LEU B O 1 -ATOM 2501 C CB . LEU B 2 41 ? 46.914 29.046 44.216 1.00 48.45 ? 40 LEU B CB 1 -ATOM 2502 C CG . LEU B 2 41 ? 46.676 30.419 43.599 1.00 48.92 ? 40 LEU B CG 1 -ATOM 2503 C CD1 . LEU B 2 41 ? 47.598 31.436 44.272 1.00 45.00 ? 40 LEU B CD1 1 -ATOM 2504 C CD2 . LEU B 2 41 ? 46.895 30.351 42.099 1.00 46.91 ? 40 LEU B CD2 1 -ATOM 2505 N N . LYS B 2 42 ? 47.398 25.985 44.233 1.00 50.18 ? 41 LYS B N 1 -ATOM 2506 C CA . LYS B 2 42 ? 47.978 24.844 44.928 1.00 52.31 ? 41 LYS B CA 1 -ATOM 2507 C C . LYS B 2 42 ? 49.488 25.057 45.004 1.00 55.01 ? 41 LYS B C 1 -ATOM 2508 O O . LYS B 2 42 ? 50.209 24.866 44.020 1.00 56.82 ? 41 LYS B O 1 -ATOM 2509 C CB . LYS B 2 42 ? 47.674 23.531 44.200 1.00 51.86 ? 41 LYS B CB 1 -ATOM 2510 C CG . LYS B 2 42 ? 48.334 22.322 44.841 1.00 48.66 ? 41 LYS B CG 1 -ATOM 2511 C CD . LYS B 2 42 ? 47.879 21.022 44.210 1.00 55.43 ? 41 LYS B CD 1 -ATOM 2512 C CE . LYS B 2 42 ? 48.608 19.845 44.850 1.00 61.73 ? 41 LYS B CE 1 -ATOM 2513 N NZ . LYS B 2 42 ? 48.132 18.498 44.402 1.00 64.49 ? 41 LYS B NZ 1 -ATOM 2514 N N . ASN B 2 43 ? 49.950 25.489 46.174 1.00 57.00 ? 42 ASN B N 1 -ATOM 2515 C CA . ASN B 2 43 ? 51.370 25.740 46.439 1.00 56.97 ? 42 ASN B CA 1 -ATOM 2516 C C . ASN B 2 43 ? 51.905 26.925 45.626 1.00 57.16 ? 42 ASN B C 1 -ATOM 2517 O O . ASN B 2 43 ? 53.112 27.061 45.420 1.00 58.32 ? 42 ASN B O 1 -ATOM 2518 C CB . ASN B 2 43 ? 52.210 24.474 46.172 1.00 55.44 ? 42 ASN B CB 1 -ATOM 2519 C CG . ASN B 2 43 ? 51.832 23.299 47.083 1.00 54.16 ? 42 ASN B CG 1 -ATOM 2520 O OD1 . ASN B 2 43 ? 51.716 23.446 48.303 1.00 50.49 ? 42 ASN B OD1 1 -ATOM 2521 N ND2 . ASN B 2 43 ? 51.653 22.124 46.488 1.00 53.93 ? 42 ASN B ND2 1 -ATOM 2522 N N . GLY B 2 44 ? 51.003 27.814 45.221 1.00 56.72 ? 43 GLY B N 1 -ATOM 2523 C CA . GLY B 2 44 ? 51.388 28.967 44.423 1.00 58.55 ? 43 GLY B CA 1 -ATOM 2524 C C . GLY B 2 44 ? 51.022 28.765 42.955 1.00 59.97 ? 43 GLY B C 1 -ATOM 2525 O O . GLY B 2 44 ? 50.774 29.731 42.223 1.00 53.50 ? 43 GLY B O 1 -ATOM 2526 N N . GLU B 2 45 ? 50.980 27.500 42.533 1.00 60.61 ? 44 GLU B N 1 -ATOM 2527 C CA . GLU B 2 45 ? 50.628 27.163 41.165 1.00 62.67 ? 44 GLU B CA 1 -ATOM 2528 C C . GLU B 2 45 ? 49.123 27.239 40.951 1.00 65.51 ? 44 GLU B C 1 -ATOM 2529 O O . GLU B 2 45 ? 48.340 26.726 41.753 1.00 65.32 ? 44 GLU B O 1 -ATOM 2530 N N . ARG B 2 46 ? 48.719 27.893 39.868 1.00 64.92 ? 45 ARG B N 1 -ATOM 2531 C CA . ARG B 2 46 ? 47.312 28.053 39.536 1.00 59.79 ? 45 ARG B CA 1 -ATOM 2532 C C . ARG B 2 46 ? 46.732 26.690 39.192 1.00 55.14 ? 45 ARG B C 1 -ATOM 2533 O O . ARG B 2 46 ? 47.370 25.907 38.490 1.00 49.79 ? 45 ARG B O 1 -ATOM 2534 C CB . ARG B 2 46 ? 47.164 29.003 38.341 1.00 64.95 ? 45 ARG B CB 1 -ATOM 2535 C CG . ARG B 2 46 ? 45.862 29.795 38.312 1.00 70.42 ? 45 ARG B CG 1 -ATOM 2536 C CD . ARG B 2 46 ? 45.622 30.473 36.966 1.00 71.88 ? 45 ARG B CD 1 -ATOM 2537 N NE . ARG B 2 46 ? 45.250 29.514 35.922 1.00 75.30 ? 45 ARG B NE 1 -ATOM 2538 C CZ . ARG B 2 46 ? 44.000 29.123 35.652 1.00 75.60 ? 45 ARG B CZ 1 -ATOM 2539 N NH1 . ARG B 2 46 ? 42.970 29.603 36.349 1.00 67.97 ? 45 ARG B NH1 1 -ATOM 2540 N NH2 . ARG B 2 46 ? 43.779 28.270 34.651 1.00 73.30 ? 45 ARG B NH2 1 -ATOM 2541 N N . ILE B 2 47 ? 45.561 26.383 39.744 1.00 52.97 ? 46 ILE B N 1 -ATOM 2542 C CA . ILE B 2 47 ? 44.901 25.112 39.472 1.00 52.93 ? 46 ILE B CA 1 -ATOM 2543 C C . ILE B 2 47 ? 44.209 25.251 38.130 1.00 55.67 ? 46 ILE B C 1 -ATOM 2544 O O . ILE B 2 47 ? 43.453 26.194 37.919 1.00 57.73 ? 46 ILE B O 1 -ATOM 2545 C CB . ILE B 2 47 ? 43.849 24.751 40.536 1.00 48.04 ? 46 ILE B CB 1 -ATOM 2546 C CG1 . ILE B 2 47 ? 44.480 24.755 41.930 1.00 48.55 ? 46 ILE B CG1 1 -ATOM 2547 C CG2 . ILE B 2 47 ? 43.274 23.372 40.242 1.00 42.09 ? 46 ILE B CG2 1 -ATOM 2548 C CD1 . ILE B 2 47 ? 43.480 24.519 43.051 1.00 54.07 ? 46 ILE B CD1 1 -ATOM 2549 N N . GLU B 2 48 ? 44.446 24.282 37.251 1.00 59.58 ? 47 GLU B N 1 -ATOM 2550 C CA . GLU B 2 48 ? 43.887 24.300 35.912 1.00 59.23 ? 47 GLU B CA 1 -ATOM 2551 C C . GLU B 2 48 ? 42.385 24.343 35.729 1.00 62.62 ? 47 GLU B C 1 -ATOM 2552 O O . GLU B 2 48 ? 41.819 25.386 35.393 1.00 66.24 ? 47 GLU B O 1 -ATOM 2553 N N . LYS B 2 49 ? 41.730 23.211 35.947 1.00 63.00 ? 48 LYS B N 1 -ATOM 2554 C CA . LYS B 2 49 ? 40.287 23.120 35.741 1.00 65.25 ? 48 LYS B CA 1 -ATOM 2555 C C . LYS B 2 49 ? 39.361 23.580 36.876 1.00 60.84 ? 48 LYS B C 1 -ATOM 2556 O O . LYS B 2 49 ? 38.708 22.763 37.535 1.00 56.64 ? 48 LYS B O 1 -ATOM 2557 C CB . LYS B 2 49 ? 39.934 21.702 35.300 1.00 74.45 ? 48 LYS B CB 1 -ATOM 2558 C CG . LYS B 2 49 ? 40.665 21.259 34.039 1.00 83.07 ? 48 LYS B CG 1 -ATOM 2559 C CD . LYS B 2 49 ? 40.183 19.882 33.598 1.00 94.92 ? 48 LYS B CD 1 -ATOM 2560 C CE . LYS B 2 49 ? 40.868 19.416 32.308 1.00 100.00 ? 48 LYS B CE 1 -ATOM 2561 N NZ . LYS B 2 49 ? 40.310 18.126 31.766 1.00 99.97 ? 48 LYS B NZ 1 -ATOM 2562 N N . VAL B 2 50 ? 39.227 24.894 37.022 1.00 55.18 ? 49 VAL B N 1 -ATOM 2563 C CA . VAL B 2 50 ? 38.385 25.468 38.065 1.00 53.29 ? 49 VAL B CA 1 -ATOM 2564 C C . VAL B 2 50 ? 37.027 25.891 37.520 1.00 51.91 ? 49 VAL B C 1 -ATOM 2565 O O . VAL B 2 50 ? 36.946 26.698 36.593 1.00 54.76 ? 49 VAL B O 1 -ATOM 2566 C CB . VAL B 2 50 ? 39.054 26.694 38.703 1.00 53.90 ? 49 VAL B CB 1 -ATOM 2567 C CG1 . VAL B 2 50 ? 38.234 27.175 39.888 1.00 56.31 ? 49 VAL B CG1 1 -ATOM 2568 C CG2 . VAL B 2 50 ? 40.476 26.361 39.124 1.00 55.02 ? 49 VAL B CG2 1 -ATOM 2569 N N . GLU B 2 51 ? 35.957 25.376 38.110 1.00 48.23 ? 50 GLU B N 1 -ATOM 2570 C CA . GLU B 2 51 ? 34.628 25.731 37.646 1.00 46.14 ? 50 GLU B CA 1 -ATOM 2571 C C . GLU B 2 51 ? 34.086 26.888 38.462 1.00 40.98 ? 50 GLU B C 1 -ATOM 2572 O O . GLU B 2 51 ? 34.786 27.403 39.329 1.00 38.87 ? 50 GLU B O 1 -ATOM 2573 C CB . GLU B 2 51 ? 33.705 24.513 37.668 1.00 51.88 ? 50 GLU B CB 1 -ATOM 2574 C CG . GLU B 2 51 ? 34.288 23.330 36.871 1.00 63.64 ? 50 GLU B CG 1 -ATOM 2575 C CD . GLU B 2 51 ? 33.262 22.291 36.423 1.00 68.69 ? 50 GLU B CD 1 -ATOM 2576 O OE1 . GLU B 2 51 ? 32.219 22.120 37.096 1.00 71.08 ? 50 GLU B OE1 1 -ATOM 2577 O OE2 . GLU B 2 51 ? 33.513 21.634 35.384 1.00 73.53 ? 50 GLU B OE2 1 -ATOM 2578 N N . HIS B 2 52 ? 32.894 27.368 38.117 1.00 36.64 ? 51 HIS B N 1 -ATOM 2579 C CA . HIS B 2 52 ? 32.291 28.479 38.843 1.00 36.51 ? 51 HIS B CA 1 -ATOM 2580 C C . HIS B 2 52 ? 30.794 28.590 38.627 1.00 32.23 ? 51 HIS B C 1 -ATOM 2581 O O . HIS B 2 52 ? 30.256 28.018 37.687 1.00 35.09 ? 51 HIS B O 1 -ATOM 2582 C CB . HIS B 2 52 ? 32.991 29.808 38.530 1.00 41.46 ? 51 HIS B CB 1 -ATOM 2583 C CG . HIS B 2 52 ? 32.830 30.280 37.114 1.00 54.37 ? 51 HIS B CG 1 -ATOM 2584 N ND1 . HIS B 2 52 ? 31.722 30.979 36.683 1.00 59.18 ? 51 HIS B ND1 1 -ATOM 2585 C CD2 . HIS B 2 52 ? 33.672 30.225 36.055 1.00 54.77 ? 51 HIS B CD2 1 -ATOM 2586 C CE1 . HIS B 2 52 ? 31.890 31.342 35.425 1.00 56.49 ? 51 HIS B CE1 1 -ATOM 2587 N NE2 . HIS B 2 52 ? 33.066 30.897 35.021 1.00 57.34 ? 51 HIS B NE2 1 -ATOM 2588 N N . SER B 2 53 ? 30.125 29.303 39.525 1.00 32.02 ? 52 SER B N 1 -ATOM 2589 C CA . SER B 2 53 ? 28.680 29.478 39.461 1.00 32.93 ? 52 SER B CA 1 -ATOM 2590 C C . SER B 2 53 ? 28.286 30.524 38.426 1.00 35.74 ? 52 SER B C 1 -ATOM 2591 O O . SER B 2 53 ? 29.150 31.206 37.869 1.00 41.08 ? 52 SER B O 1 -ATOM 2592 C CB . SER B 2 53 ? 28.117 29.852 40.843 1.00 31.52 ? 52 SER B CB 1 -ATOM 2593 O OG . SER B 2 53 ? 28.695 31.044 41.357 1.00 37.27 ? 52 SER B OG 1 -ATOM 2594 N N . ASP B 2 54 ? 26.987 30.637 38.154 1.00 33.39 ? 53 ASP B N 1 -ATOM 2595 C CA . ASP B 2 54 ? 26.491 31.602 37.183 1.00 27.27 ? 53 ASP B CA 1 -ATOM 2596 C C . ASP B 2 54 ? 26.237 32.897 37.923 1.00 22.47 ? 53 ASP B C 1 -ATOM 2597 O O . ASP B 2 54 ? 25.535 32.905 38.932 1.00 25.36 ? 53 ASP B O 1 -ATOM 2598 C CB . ASP B 2 54 ? 25.207 31.088 36.519 1.00 31.43 ? 53 ASP B CB 1 -ATOM 2599 C CG . ASP B 2 54 ? 25.423 29.793 35.730 1.00 33.02 ? 53 ASP B CG 1 -ATOM 2600 O OD1 . ASP B 2 54 ? 26.557 29.544 35.244 1.00 34.92 ? 53 ASP B OD1 1 -ATOM 2601 O OD2 . ASP B 2 54 ? 24.450 29.024 35.601 1.00 30.41 ? 53 ASP B OD2 1 -ATOM 2602 N N . LEU B 2 55 ? 26.840 33.974 37.435 1.00 20.33 ? 54 LEU B N 1 -ATOM 2603 C CA . LEU B 2 55 ? 26.712 35.282 38.057 1.00 18.60 ? 54 LEU B CA 1 -ATOM 2604 C C . LEU B 2 55 ? 25.303 35.636 38.461 1.00 22.25 ? 54 LEU B C 1 -ATOM 2605 O O . LEU B 2 55 ? 24.363 35.454 37.692 1.00 27.18 ? 54 LEU B O 1 -ATOM 2606 C CB . LEU B 2 55 ? 27.240 36.381 37.142 1.00 19.89 ? 54 LEU B CB 1 -ATOM 2607 C CG . LEU B 2 55 ? 27.194 37.774 37.774 1.00 23.08 ? 54 LEU B CG 1 -ATOM 2608 C CD1 . LEU B 2 55 ? 28.361 37.944 38.750 1.00 23.42 ? 54 LEU B CD1 1 -ATOM 2609 C CD2 . LEU B 2 55 ? 27.267 38.828 36.687 1.00 24.24 ? 54 LEU B CD2 1 -ATOM 2610 N N . SER B 2 56 ? 25.163 36.094 39.701 1.00 24.46 ? 55 SER B N 1 -ATOM 2611 C CA . SER B 2 56 ? 23.884 36.521 40.231 1.00 18.92 ? 55 SER B CA 1 -ATOM 2612 C C . SER B 2 56 ? 24.140 37.637 41.220 1.00 20.78 ? 55 SER B C 1 -ATOM 2613 O O . SER B 2 56 ? 25.276 38.084 41.375 1.00 19.71 ? 55 SER B O 1 -ATOM 2614 C CB . SER B 2 56 ? 23.138 35.384 40.898 1.00 18.69 ? 55 SER B CB 1 -ATOM 2615 O OG . SER B 2 56 ? 21.800 35.785 41.156 1.00 23.66 ? 55 SER B OG 1 -ATOM 2616 N N . PHE B 2 57 ? 23.094 38.089 41.898 1.00 20.50 ? 56 PHE B N 1 -ATOM 2617 C CA . PHE B 2 57 ? 23.256 39.184 42.831 1.00 21.17 ? 56 PHE B CA 1 -ATOM 2618 C C . PHE B 2 57 ? 22.257 39.172 43.971 1.00 31.19 ? 56 PHE B C 1 -ATOM 2619 O O . PHE B 2 57 ? 21.208 38.520 43.889 1.00 31.08 ? 56 PHE B O 1 -ATOM 2620 C CB . PHE B 2 57 ? 23.196 40.520 42.085 1.00 21.87 ? 56 PHE B CB 1 -ATOM 2621 C CG . PHE B 2 57 ? 22.018 40.651 41.159 1.00 19.90 ? 56 PHE B CG 1 -ATOM 2622 C CD1 . PHE B 2 57 ? 20.810 41.142 41.620 1.00 18.08 ? 56 PHE B CD1 1 -ATOM 2623 C CD2 . PHE B 2 57 ? 22.127 40.297 39.814 1.00 21.32 ? 56 PHE B CD2 1 -ATOM 2624 C CE1 . PHE B 2 57 ? 19.731 41.276 40.758 1.00 25.83 ? 56 PHE B CE1 1 -ATOM 2625 C CE2 . PHE B 2 57 ? 21.062 40.428 38.952 1.00 9.89 ? 56 PHE B CE2 1 -ATOM 2626 C CZ . PHE B 2 57 ? 19.862 40.920 39.419 1.00 21.06 ? 56 PHE B CZ 1 -ATOM 2627 N N . SER B 2 58 ? 22.616 39.886 45.039 1.00 34.56 ? 57 SER B N 1 -ATOM 2628 C CA . SER B 2 58 ? 21.806 40.001 46.250 1.00 38.61 ? 57 SER B CA 1 -ATOM 2629 C C . SER B 2 58 ? 20.880 41.228 46.210 1.00 38.73 ? 57 SER B C 1 -ATOM 2630 O O . SER B 2 58 ? 21.013 42.092 45.342 1.00 41.04 ? 57 SER B O 1 -ATOM 2631 C CB . SER B 2 58 ? 22.733 40.108 47.463 1.00 41.06 ? 57 SER B CB 1 -ATOM 2632 O OG . SER B 2 58 ? 23.882 39.283 47.310 1.00 46.25 ? 57 SER B OG 1 -ATOM 2633 N N . LYS B 2 59 ? 20.005 41.335 47.208 1.00 35.94 ? 58 LYS B N 1 -ATOM 2634 C CA . LYS B 2 59 ? 19.053 42.438 47.300 1.00 30.93 ? 58 LYS B CA 1 -ATOM 2635 C C . LYS B 2 59 ? 19.599 43.843 47.114 1.00 27.43 ? 58 LYS B C 1 -ATOM 2636 O O . LYS B 2 59 ? 18.871 44.732 46.695 1.00 29.35 ? 58 LYS B O 1 -ATOM 2637 N N . ASP B 2 60 ? 20.872 44.051 47.425 1.00 24.27 ? 59 ASP B N 1 -ATOM 2638 C CA . ASP B 2 60 ? 21.488 45.366 47.275 1.00 26.55 ? 59 ASP B CA 1 -ATOM 2639 C C . ASP B 2 60 ? 22.250 45.530 45.943 1.00 29.77 ? 59 ASP B C 1 -ATOM 2640 O O . ASP B 2 60 ? 23.073 46.443 45.784 1.00 26.70 ? 59 ASP B O 1 -ATOM 2641 C CB . ASP B 2 60 ? 22.403 45.658 48.468 1.00 22.61 ? 59 ASP B CB 1 -ATOM 2642 C CG . ASP B 2 60 ? 23.498 44.627 48.638 1.00 28.75 ? 59 ASP B CG 1 -ATOM 2643 O OD1 . ASP B 2 60 ? 23.345 43.500 48.121 1.00 30.09 ? 59 ASP B OD1 1 -ATOM 2644 O OD2 . ASP B 2 60 ? 24.518 44.946 49.294 1.00 34.85 ? 59 ASP B OD2 1 -ATOM 2645 N N . TRP B 2 61 ? 21.984 44.610 45.015 1.00 27.50 ? 60 TRP B N 1 -ATOM 2646 C CA . TRP B 2 61 ? 22.573 44.578 43.666 1.00 25.88 ? 60 TRP B CA 1 -ATOM 2647 C C . TRP B 2 61 ? 24.023 44.143 43.575 1.00 22.79 ? 60 TRP B C 1 -ATOM 2648 O O . TRP B 2 61 ? 24.595 44.154 42.488 1.00 23.65 ? 60 TRP B O 1 -ATOM 2649 C CB . TRP B 2 61 ? 22.383 45.904 42.894 1.00 21.04 ? 60 TRP B CB 1 -ATOM 2650 C CG . TRP B 2 61 ? 20.967 46.436 42.852 1.00 19.54 ? 60 TRP B CG 1 -ATOM 2651 C CD1 . TRP B 2 61 ? 20.498 47.534 43.510 1.00 24.22 ? 60 TRP B CD1 1 -ATOM 2652 C CD2 . TRP B 2 61 ? 19.842 45.887 42.138 1.00 15.90 ? 60 TRP B CD2 1 -ATOM 2653 N NE1 . TRP B 2 61 ? 19.159 47.699 43.263 1.00 23.55 ? 60 TRP B NE1 1 -ATOM 2654 C CE2 . TRP B 2 61 ? 18.731 46.706 42.420 1.00 21.14 ? 60 TRP B CE2 1 -ATOM 2655 C CE3 . TRP B 2 61 ? 19.667 44.784 41.299 1.00 20.84 ? 60 TRP B CE3 1 -ATOM 2656 C CZ2 . TRP B 2 61 ? 17.456 46.455 41.889 1.00 24.60 ? 60 TRP B CZ2 1 -ATOM 2657 C CZ3 . TRP B 2 61 ? 18.401 44.532 40.776 1.00 11.81 ? 60 TRP B CZ3 1 -ATOM 2658 C CH2 . TRP B 2 61 ? 17.316 45.365 41.075 1.00 22.74 ? 60 TRP B CH2 1 -ATOM 2659 N N . SER B 2 62 ? 24.627 43.751 44.689 1.00 25.32 ? 61 SER B N 1 -ATOM 2660 C CA . SER B 2 62 ? 26.020 43.308 44.637 1.00 24.11 ? 61 SER B CA 1 -ATOM 2661 C C . SER B 2 62 ? 26.041 41.897 44.081 1.00 16.46 ? 61 SER B C 1 -ATOM 2662 O O . SER B 2 62 ? 25.047 41.195 44.173 1.00 13.23 ? 61 SER B O 1 -ATOM 2663 C CB . SER B 2 62 ? 26.689 43.384 46.010 1.00 30.27 ? 61 SER B CB 1 -ATOM 2664 O OG . SER B 2 62 ? 25.731 43.490 47.049 1.00 31.79 ? 61 SER B OG 1 -ATOM 2665 N N . PHE B 2 63 ? 27.181 41.497 43.529 1.00 17.43 ? 62 PHE B N 1 -ATOM 2666 C CA . PHE B 2 63 ? 27.352 40.198 42.890 1.00 19.28 ? 62 PHE B CA 1 -ATOM 2667 C C . PHE B 2 63 ? 28.001 39.159 43.758 1.00 18.18 ? 62 PHE B C 1 -ATOM 2668 O O . PHE B 2 63 ? 28.716 39.492 44.687 1.00 21.26 ? 62 PHE B O 1 -ATOM 2669 C CB . PHE B 2 63 ? 28.223 40.361 41.621 1.00 21.33 ? 62 PHE B CB 1 -ATOM 2670 C CG . PHE B 2 63 ? 27.629 41.281 40.602 1.00 22.70 ? 62 PHE B CG 1 -ATOM 2671 C CD1 . PHE B 2 63 ? 26.489 40.900 39.887 1.00 23.03 ? 62 PHE B CD1 1 -ATOM 2672 C CD2 . PHE B 2 63 ? 28.136 42.571 40.431 1.00 24.28 ? 62 PHE B CD2 1 -ATOM 2673 C CE1 . PHE B 2 63 ? 25.855 41.799 39.025 1.00 20.54 ? 62 PHE B CE1 1 -ATOM 2674 C CE2 . PHE B 2 63 ? 27.510 43.486 39.570 1.00 21.87 ? 62 PHE B CE2 1 -ATOM 2675 C CZ . PHE B 2 63 ? 26.364 43.098 38.869 1.00 24.46 ? 62 PHE B CZ 1 -ATOM 2676 N N . TYR B 2 64 ? 27.779 37.893 43.426 1.00 18.59 ? 63 TYR B N 1 -ATOM 2677 C CA . TYR B 2 64 ? 28.417 36.798 44.145 1.00 21.52 ? 63 TYR B CA 1 -ATOM 2678 C C . TYR B 2 64 ? 28.660 35.609 43.205 1.00 17.17 ? 63 TYR B C 1 -ATOM 2679 O O . TYR B 2 64 ? 27.805 35.269 42.395 1.00 14.46 ? 63 TYR B O 1 -ATOM 2680 C CB . TYR B 2 64 ? 27.633 36.414 45.421 1.00 21.39 ? 63 TYR B CB 1 -ATOM 2681 C CG . TYR B 2 64 ? 26.257 35.870 45.189 1.00 15.36 ? 63 TYR B CG 1 -ATOM 2682 C CD1 . TYR B 2 64 ? 26.071 34.550 44.773 1.00 17.28 ? 63 TYR B CD1 1 -ATOM 2683 C CD2 . TYR B 2 64 ? 25.141 36.662 45.374 1.00 10.27 ? 63 TYR B CD2 1 -ATOM 2684 C CE1 . TYR B 2 64 ? 24.796 34.027 44.543 1.00 8.24 ? 63 TYR B CE1 1 -ATOM 2685 C CE2 . TYR B 2 64 ? 23.855 36.146 45.148 1.00 17.39 ? 63 TYR B CE2 1 -ATOM 2686 C CZ . TYR B 2 64 ? 23.698 34.823 44.728 1.00 14.05 ? 63 TYR B CZ 1 -ATOM 2687 O OH . TYR B 2 64 ? 22.437 34.306 44.490 1.00 21.99 ? 63 TYR B OH 1 -ATOM 2688 N N . LEU B 2 65 ? 29.842 35.006 43.320 1.00 20.20 ? 64 LEU B N 1 -ATOM 2689 C CA . LEU B 2 65 ? 30.273 33.877 42.493 1.00 22.96 ? 64 LEU B CA 1 -ATOM 2690 C C . LEU B 2 65 ? 30.943 32.792 43.328 1.00 19.31 ? 64 LEU B C 1 -ATOM 2691 O O . LEU B 2 65 ? 31.627 33.100 44.303 1.00 19.72 ? 64 LEU B O 1 -ATOM 2692 C CB . LEU B 2 65 ? 31.317 34.359 41.463 1.00 23.47 ? 64 LEU B CB 1 -ATOM 2693 C CG . LEU B 2 65 ? 30.852 35.205 40.280 1.00 21.46 ? 64 LEU B CG 1 -ATOM 2694 C CD1 . LEU B 2 65 ? 32.033 35.750 39.518 1.00 15.92 ? 64 LEU B CD1 1 -ATOM 2695 C CD2 . LEU B 2 65 ? 29.984 34.348 39.398 1.00 19.28 ? 64 LEU B CD2 1 -ATOM 2696 N N . LEU B 2 66 ? 30.816 31.540 42.899 1.00 15.50 ? 65 LEU B N 1 -ATOM 2697 C CA . LEU B 2 66 ? 31.449 30.439 43.600 1.00 17.49 ? 65 LEU B CA 1 -ATOM 2698 C C . LEU B 2 66 ? 32.303 29.614 42.659 1.00 20.89 ? 65 LEU B C 1 -ATOM 2699 O O . LEU B 2 66 ? 31.797 29.015 41.724 1.00 23.06 ? 65 LEU B O 1 -ATOM 2700 C CB . LEU B 2 66 ? 30.426 29.530 44.275 1.00 13.69 ? 65 LEU B CB 1 -ATOM 2701 C CG . LEU B 2 66 ? 31.005 28.271 44.925 1.00 13.60 ? 65 LEU B CG 1 -ATOM 2702 C CD1 . LEU B 2 66 ? 31.947 28.617 46.042 1.00 17.54 ? 65 LEU B CD1 1 -ATOM 2703 C CD2 . LEU B 2 66 ? 29.875 27.432 45.438 1.00 18.52 ? 65 LEU B CD2 1 -ATOM 2704 N N . TYR B 2 67 ? 33.603 29.608 42.916 1.00 26.59 ? 66 TYR B N 1 -ATOM 2705 C CA . TYR B 2 67 ? 34.573 28.849 42.150 1.00 27.89 ? 66 TYR B CA 1 -ATOM 2706 C C . TYR B 2 67 ? 34.902 27.575 42.922 1.00 30.62 ? 66 TYR B C 1 -ATOM 2707 O O . TYR B 2 67 ? 35.272 27.616 44.096 1.00 32.53 ? 66 TYR B O 1 -ATOM 2708 C CB . TYR B 2 67 ? 35.844 29.666 41.960 1.00 29.58 ? 66 TYR B CB 1 -ATOM 2709 C CG . TYR B 2 67 ? 35.702 30.762 40.954 1.00 32.22 ? 66 TYR B CG 1 -ATOM 2710 C CD1 . TYR B 2 67 ? 35.093 31.968 41.286 1.00 34.17 ? 66 TYR B CD1 1 -ATOM 2711 C CD2 . TYR B 2 67 ? 36.157 30.586 39.658 1.00 33.02 ? 66 TYR B CD2 1 -ATOM 2712 C CE1 . TYR B 2 67 ? 34.939 32.974 40.340 1.00 41.68 ? 66 TYR B CE1 1 -ATOM 2713 C CE2 . TYR B 2 67 ? 36.015 31.575 38.709 1.00 40.43 ? 66 TYR B CE2 1 -ATOM 2714 C CZ . TYR B 2 67 ? 35.404 32.766 39.046 1.00 40.96 ? 66 TYR B CZ 1 -ATOM 2715 O OH . TYR B 2 67 ? 35.254 33.728 38.073 1.00 41.76 ? 66 TYR B OH 1 -ATOM 2716 N N . TYR B 2 68 ? 34.791 26.444 42.252 1.00 34.46 ? 67 TYR B N 1 -ATOM 2717 C CA . TYR B 2 68 ? 35.070 25.183 42.898 1.00 35.83 ? 67 TYR B CA 1 -ATOM 2718 C C . TYR B 2 68 ? 35.886 24.227 42.041 1.00 35.87 ? 67 TYR B C 1 -ATOM 2719 O O . TYR B 2 68 ? 35.939 24.358 40.817 1.00 34.04 ? 67 TYR B O 1 -ATOM 2720 C CB . TYR B 2 68 ? 33.768 24.534 43.333 1.00 37.34 ? 67 TYR B CB 1 -ATOM 2721 C CG . TYR B 2 68 ? 32.768 24.315 42.228 1.00 35.67 ? 67 TYR B CG 1 -ATOM 2722 C CD1 . TYR B 2 68 ? 31.989 25.365 41.751 1.00 34.17 ? 67 TYR B CD1 1 -ATOM 2723 C CD2 . TYR B 2 68 ? 32.544 23.041 41.717 1.00 38.41 ? 67 TYR B CD2 1 -ATOM 2724 C CE1 . TYR B 2 68 ? 31.009 25.151 40.803 1.00 38.03 ? 67 TYR B CE1 1 -ATOM 2725 C CE2 . TYR B 2 68 ? 31.564 22.813 40.769 1.00 40.41 ? 67 TYR B CE2 1 -ATOM 2726 C CZ . TYR B 2 68 ? 30.798 23.870 40.320 1.00 39.60 ? 67 TYR B CZ 1 -ATOM 2727 O OH . TYR B 2 68 ? 29.802 23.636 39.403 1.00 52.95 ? 67 TYR B OH 1 -ATOM 2728 N N . THR B 2 69 ? 36.541 23.287 42.713 1.00 38.21 ? 68 THR B N 1 -ATOM 2729 C CA . THR B 2 69 ? 37.374 22.279 42.078 1.00 38.65 ? 68 THR B CA 1 -ATOM 2730 C C . THR B 2 69 ? 37.536 21.126 43.053 1.00 41.92 ? 68 THR B C 1 -ATOM 2731 O O . THR B 2 69 ? 37.557 21.344 44.266 1.00 33.98 ? 68 THR B O 1 -ATOM 2732 C CB . THR B 2 69 ? 38.771 22.830 41.743 1.00 36.43 ? 68 THR B CB 1 -ATOM 2733 O OG1 . THR B 2 69 ? 39.505 21.832 41.032 1.00 45.39 ? 68 THR B OG1 1 -ATOM 2734 C CG2 . THR B 2 69 ? 39.537 23.190 42.997 1.00 35.14 ? 68 THR B CG2 1 -ATOM 2735 N N . GLU B 2 70 ? 37.577 19.902 42.528 1.00 51.80 ? 69 GLU B N 1 -ATOM 2736 C CA . GLU B 2 70 ? 37.764 18.711 43.365 1.00 60.82 ? 69 GLU B CA 1 -ATOM 2737 C C . GLU B 2 70 ? 39.185 18.761 43.927 1.00 61.60 ? 69 GLU B C 1 -ATOM 2738 O O . GLU B 2 70 ? 40.064 19.397 43.335 1.00 63.53 ? 69 GLU B O 1 -ATOM 2739 C CB . GLU B 2 70 ? 37.610 17.414 42.551 1.00 67.02 ? 69 GLU B CB 1 -ATOM 2740 C CG . GLU B 2 70 ? 36.322 17.302 41.744 1.00 77.41 ? 69 GLU B CG 1 -ATOM 2741 C CD . GLU B 2 70 ? 35.992 15.870 41.316 1.00 83.86 ? 69 GLU B CD 1 -ATOM 2742 O OE1 . GLU B 2 70 ? 36.890 15.172 40.788 1.00 88.49 ? 69 GLU B OE1 1 -ATOM 2743 O OE2 . GLU B 2 70 ? 34.825 15.447 41.502 1.00 83.49 ? 69 GLU B OE2 1 -ATOM 2744 N N . PHE B 2 71 ? 39.400 18.121 45.075 1.00 61.20 ? 70 PHE B N 1 -ATOM 2745 C CA . PHE B 2 71 ? 40.721 18.073 45.697 1.00 57.62 ? 70 PHE B CA 1 -ATOM 2746 C C . PHE B 2 71 ? 40.794 17.191 46.930 1.00 59.42 ? 70 PHE B C 1 -ATOM 2747 O O . PHE B 2 71 ? 39.831 17.052 47.694 1.00 57.93 ? 70 PHE B O 1 -ATOM 2748 C CB . PHE B 2 71 ? 41.286 19.480 45.992 1.00 50.93 ? 70 PHE B CB 1 -ATOM 2749 C CG . PHE B 2 71 ? 41.017 20.002 47.392 1.00 43.98 ? 70 PHE B CG 1 -ATOM 2750 C CD1 . PHE B 2 71 ? 39.723 20.107 47.895 1.00 41.02 ? 70 PHE B CD1 1 -ATOM 2751 C CD2 . PHE B 2 71 ? 42.066 20.475 48.175 1.00 38.95 ? 70 PHE B CD2 1 -ATOM 2752 C CE1 . PHE B 2 71 ? 39.487 20.685 49.156 1.00 37.86 ? 70 PHE B CE1 1 -ATOM 2753 C CE2 . PHE B 2 71 ? 41.832 21.053 49.435 1.00 33.39 ? 70 PHE B CE2 1 -ATOM 2754 C CZ . PHE B 2 71 ? 40.544 21.159 49.919 1.00 28.81 ? 70 PHE B CZ 1 -ATOM 2755 N N . THR B 2 72 ? 41.949 16.560 47.078 1.00 60.86 ? 71 THR B N 1 -ATOM 2756 C CA . THR B 2 72 ? 42.222 15.692 48.202 1.00 56.93 ? 71 THR B CA 1 -ATOM 2757 C C . THR B 2 72 ? 43.177 16.497 49.066 1.00 54.13 ? 71 THR B C 1 -ATOM 2758 O O . THR B 2 72 ? 44.331 16.742 48.674 1.00 47.46 ? 71 THR B O 1 -ATOM 2759 C CB . THR B 2 72 ? 42.871 14.365 47.739 1.00 56.15 ? 71 THR B CB 1 -ATOM 2760 O OG1 . THR B 2 72 ? 41.894 13.571 47.054 1.00 50.29 ? 71 THR B OG1 1 -ATOM 2761 C CG2 . THR B 2 72 ? 43.402 13.588 48.915 1.00 60.23 ? 71 THR B CG2 1 -ATOM 2762 N N . PRO B 2 73 ? 42.670 17.000 50.209 1.00 52.80 ? 72 PRO B N 1 -ATOM 2763 C CA . PRO B 2 73 ? 43.438 17.801 51.167 1.00 50.98 ? 72 PRO B CA 1 -ATOM 2764 C C . PRO B 2 73 ? 44.589 16.948 51.666 1.00 55.43 ? 72 PRO B C 1 -ATOM 2765 O O . PRO B 2 73 ? 44.465 15.726 51.792 1.00 57.17 ? 72 PRO B O 1 -ATOM 2766 C CB . PRO B 2 73 ? 42.429 18.063 52.286 1.00 52.34 ? 72 PRO B CB 1 -ATOM 2767 C CG . PRO B 2 73 ? 41.083 17.883 51.634 1.00 52.77 ? 72 PRO B CG 1 -ATOM 2768 C CD . PRO B 2 73 ? 41.316 16.722 50.720 1.00 51.46 ? 72 PRO B CD 1 -ATOM 2769 N N . THR B 2 74 ? 45.697 17.584 51.995 1.00 58.77 ? 73 THR B N 1 -ATOM 2770 C CA . THR B 2 74 ? 46.858 16.843 52.452 1.00 65.02 ? 73 THR B CA 1 -ATOM 2771 C C . THR B 2 74 ? 47.544 17.642 53.557 1.00 67.84 ? 73 THR B C 1 -ATOM 2772 O O . THR B 2 74 ? 47.399 18.864 53.611 1.00 74.68 ? 73 THR B O 1 -ATOM 2773 C CB . THR B 2 74 ? 47.804 16.573 51.245 1.00 65.52 ? 73 THR B CB 1 -ATOM 2774 O OG1 . THR B 2 74 ? 47.340 15.431 50.513 1.00 71.05 ? 73 THR B OG1 1 -ATOM 2775 C CG2 . THR B 2 74 ? 49.205 16.332 51.684 1.00 66.16 ? 73 THR B CG2 1 -ATOM 2776 N N . GLU B 2 75 ? 48.225 16.961 54.477 1.00 65.57 ? 74 GLU B N 1 -ATOM 2777 C CA . GLU B 2 75 ? 48.907 17.676 55.544 1.00 63.98 ? 74 GLU B CA 1 -ATOM 2778 C C . GLU B 2 75 ? 49.978 18.597 54.982 1.00 65.71 ? 74 GLU B C 1 -ATOM 2779 O O . GLU B 2 75 ? 50.238 19.680 55.508 1.00 61.84 ? 74 GLU B O 1 -ATOM 2780 N N . LYS B 2 76 ? 50.562 18.175 53.867 1.00 69.01 ? 75 LYS B N 1 -ATOM 2781 C CA . LYS B 2 76 ? 51.625 18.929 53.217 1.00 72.79 ? 75 LYS B CA 1 -ATOM 2782 C C . LYS B 2 76 ? 51.280 19.922 52.093 1.00 73.03 ? 75 LYS B C 1 -ATOM 2783 O O . LYS B 2 76 ? 52.082 20.809 51.809 1.00 76.68 ? 75 LYS B O 1 -ATOM 2784 C CB . LYS B 2 76 ? 52.737 17.971 52.764 1.00 75.63 ? 75 LYS B CB 1 -ATOM 2785 C CG . LYS B 2 76 ? 52.246 16.734 52.040 1.00 80.19 ? 75 LYS B CG 1 -ATOM 2786 C CD . LYS B 2 76 ? 52.819 15.458 52.642 1.00 89.39 ? 75 LYS B CD 1 -ATOM 2787 C CE . LYS B 2 76 ? 52.012 14.218 52.244 1.00 93.87 ? 75 LYS B CE 1 -ATOM 2788 N NZ . LYS B 2 76 ? 51.893 14.007 50.777 1.00 91.81 ? 75 LYS B NZ 1 -ATOM 2789 N N . ASP B 2 77 ? 50.104 19.814 51.473 1.00 69.79 ? 76 ASP B N 1 -ATOM 2790 C CA . ASP B 2 77 ? 49.744 20.738 50.385 1.00 65.32 ? 76 ASP B CA 1 -ATOM 2791 C C . ASP B 2 77 ? 49.016 22.017 50.814 1.00 63.20 ? 76 ASP B C 1 -ATOM 2792 O O . ASP B 2 77 ? 48.010 21.968 51.525 1.00 61.62 ? 76 ASP B O 1 -ATOM 2793 C CB . ASP B 2 77 ? 48.941 20.018 49.305 1.00 65.26 ? 76 ASP B CB 1 -ATOM 2794 C CG . ASP B 2 77 ? 49.780 19.043 48.513 1.00 66.78 ? 76 ASP B CG 1 -ATOM 2795 O OD1 . ASP B 2 77 ? 50.946 19.381 48.194 1.00 66.60 ? 76 ASP B OD1 1 -ATOM 2796 O OD2 . ASP B 2 77 ? 49.269 17.942 48.206 1.00 68.49 ? 76 ASP B OD2 1 -ATOM 2797 N N . GLU B 2 78 ? 49.503 23.159 50.338 1.00 60.38 ? 77 GLU B N 1 -ATOM 2798 C CA . GLU B 2 78 ? 48.913 24.448 50.683 1.00 58.09 ? 77 GLU B CA 1 -ATOM 2799 C C . GLU B 2 78 ? 48.002 24.976 49.583 1.00 53.84 ? 77 GLU B C 1 -ATOM 2800 O O . GLU B 2 78 ? 48.438 25.145 48.452 1.00 56.91 ? 77 GLU B O 1 -ATOM 2801 C CB . GLU B 2 78 ? 50.020 25.462 50.951 1.00 61.86 ? 77 GLU B CB 1 -ATOM 2802 C CG . GLU B 2 78 ? 51.006 25.038 52.024 1.00 76.33 ? 77 GLU B CG 1 -ATOM 2803 C CD . GLU B 2 78 ? 52.130 26.044 52.205 1.00 86.64 ? 77 GLU B CD 1 -ATOM 2804 O OE1 . GLU B 2 78 ? 51.873 27.122 52.797 1.00 89.03 ? 77 GLU B OE1 1 -ATOM 2805 O OE2 . GLU B 2 78 ? 53.266 25.761 51.749 1.00 90.23 ? 77 GLU B OE2 1 -ATOM 2806 N N . TYR B 2 79 ? 46.752 25.279 49.919 1.00 47.88 ? 78 TYR B N 1 -ATOM 2807 C CA . TYR B 2 79 ? 45.795 25.796 48.943 1.00 41.16 ? 78 TYR B CA 1 -ATOM 2808 C C . TYR B 2 79 ? 45.441 27.264 49.173 1.00 42.73 ? 78 TYR B C 1 -ATOM 2809 O O . TYR B 2 79 ? 45.423 27.725 50.323 1.00 46.70 ? 78 TYR B O 1 -ATOM 2810 C CB . TYR B 2 79 ? 44.539 24.943 48.973 1.00 37.63 ? 78 TYR B CB 1 -ATOM 2811 C CG . TYR B 2 79 ? 44.778 23.559 48.457 1.00 36.87 ? 78 TYR B CG 1 -ATOM 2812 C CD1 . TYR B 2 79 ? 44.724 23.293 47.088 1.00 36.60 ? 78 TYR B CD1 1 -ATOM 2813 C CD2 . TYR B 2 79 ? 45.085 22.519 49.322 1.00 31.58 ? 78 TYR B CD2 1 -ATOM 2814 C CE1 . TYR B 2 79 ? 44.970 22.023 46.594 1.00 37.38 ? 78 TYR B CE1 1 -ATOM 2815 C CE2 . TYR B 2 79 ? 45.334 21.241 48.843 1.00 34.51 ? 78 TYR B CE2 1 -ATOM 2816 C CZ . TYR B 2 79 ? 45.275 20.995 47.475 1.00 40.22 ? 78 TYR B CZ 1 -ATOM 2817 O OH . TYR B 2 79 ? 45.497 19.721 46.986 1.00 39.31 ? 78 TYR B OH 1 -ATOM 2818 N N . ALA B 2 80 ? 45.149 27.992 48.089 1.00 40.22 ? 79 ALA B N 1 -ATOM 2819 C CA . ALA B 2 80 ? 44.793 29.417 48.171 1.00 36.39 ? 79 ALA B CA 1 -ATOM 2820 C C . ALA B 2 80 ? 43.767 29.869 47.139 1.00 34.17 ? 79 ALA B C 1 -ATOM 2821 O O . ALA B 2 80 ? 43.310 29.079 46.317 1.00 30.47 ? 79 ALA B O 1 -ATOM 2822 C CB . ALA B 2 80 ? 46.037 30.280 48.044 1.00 34.78 ? 79 ALA B CB 1 -ATOM 2823 N N . CYS B 2 81 ? 43.394 31.144 47.213 1.00 32.99 ? 80 CYS B N 1 -ATOM 2824 C CA . CYS B 2 81 ? 42.457 31.742 46.273 1.00 31.27 ? 80 CYS B CA 1 -ATOM 2825 C C . CYS B 2 81 ? 42.923 33.157 45.926 1.00 34.62 ? 80 CYS B C 1 -ATOM 2826 O O . CYS B 2 81 ? 42.994 34.028 46.798 1.00 30.59 ? 80 CYS B O 1 -ATOM 2827 C CB . CYS B 2 81 ? 41.019 31.773 46.817 1.00 29.90 ? 80 CYS B CB 1 -ATOM 2828 S SG . CYS B 2 81 ? 39.841 32.350 45.544 1.00 40.42 ? 80 CYS B SG 1 -ATOM 2829 N N . ARG B 2 82 ? 43.347 33.347 44.677 1.00 35.68 ? 81 ARG B N 1 -ATOM 2830 C CA . ARG B 2 82 ? 43.789 34.654 44.217 1.00 37.63 ? 81 ARG B CA 1 -ATOM 2831 C C . ARG B 2 82 ? 42.625 35.382 43.540 1.00 41.76 ? 81 ARG B C 1 -ATOM 2832 O O . ARG B 2 82 ? 42.030 34.883 42.584 1.00 39.31 ? 81 ARG B O 1 -ATOM 2833 C CB . ARG B 2 82 ? 44.971 34.533 43.261 1.00 33.29 ? 81 ARG B CB 1 -ATOM 2834 C CG . ARG B 2 82 ? 45.515 35.883 42.794 1.00 34.30 ? 81 ARG B CG 1 -ATOM 2835 C CD . ARG B 2 82 ? 46.810 35.718 41.996 1.00 40.91 ? 81 ARG B CD 1 -ATOM 2836 N NE . ARG B 2 82 ? 46.655 34.825 40.847 1.00 41.80 ? 81 ARG B NE 1 -ATOM 2837 C CZ . ARG B 2 82 ? 47.509 33.857 40.534 1.00 38.71 ? 81 ARG B CZ 1 -ATOM 2838 N NH1 . ARG B 2 82 ? 48.587 33.654 41.282 1.00 35.76 ? 81 ARG B NH1 1 -ATOM 2839 N NH2 . ARG B 2 82 ? 47.280 33.088 39.477 1.00 43.90 ? 81 ARG B NH2 1 -ATOM 2840 N N . VAL B 2 83 ? 42.304 36.559 44.061 1.00 42.15 ? 82 VAL B N 1 -ATOM 2841 C CA . VAL B 2 83 ? 41.216 37.364 43.551 1.00 37.63 ? 82 VAL B CA 1 -ATOM 2842 C C . VAL B 2 83 ? 41.738 38.716 43.099 1.00 39.10 ? 82 VAL B C 1 -ATOM 2843 O O . VAL B 2 83 ? 42.674 39.256 43.685 1.00 35.60 ? 82 VAL B O 1 -ATOM 2844 C CB . VAL B 2 83 ? 40.149 37.556 44.644 1.00 35.12 ? 82 VAL B CB 1 -ATOM 2845 C CG1 . VAL B 2 83 ? 39.196 38.682 44.298 1.00 38.68 ? 82 VAL B CG1 1 -ATOM 2846 C CG2 . VAL B 2 83 ? 39.386 36.271 44.829 1.00 35.25 ? 82 VAL B CG2 1 -ATOM 2847 N N . ASN B 2 84 ? 41.174 39.218 42.006 1.00 40.08 ? 83 ASN B N 1 -ATOM 2848 C CA . ASN B 2 84 ? 41.543 40.522 41.484 1.00 37.72 ? 83 ASN B CA 1 -ATOM 2849 C C . ASN B 2 84 ? 40.234 41.217 41.090 1.00 37.19 ? 83 ASN B C 1 -ATOM 2850 O O . ASN B 2 84 ? 39.282 40.550 40.653 1.00 32.87 ? 83 ASN B O 1 -ATOM 2851 C CB . ASN B 2 84 ? 42.502 40.398 40.304 1.00 38.78 ? 83 ASN B CB 1 -ATOM 2852 C CG . ASN B 2 84 ? 43.355 41.649 40.110 1.00 43.15 ? 83 ASN B CG 1 -ATOM 2853 O OD1 . ASN B 2 84 ? 43.373 42.551 40.953 1.00 45.44 ? 83 ASN B OD1 1 -ATOM 2854 N ND2 . ASN B 2 84 ? 44.080 41.699 39.002 1.00 45.14 ? 83 ASN B ND2 1 -ATOM 2855 N N . HIS B 2 85 ? 40.181 42.536 41.317 1.00 36.77 ? 84 HIS B N 1 -ATOM 2856 C CA . HIS B 2 85 ? 39.013 43.390 41.057 1.00 35.62 ? 84 HIS B CA 1 -ATOM 2857 C C . HIS B 2 85 ? 39.494 44.856 41.035 1.00 40.15 ? 84 HIS B C 1 -ATOM 2858 O O . HIS B 2 85 ? 40.482 45.189 41.677 1.00 42.44 ? 84 HIS B O 1 -ATOM 2859 C CB . HIS B 2 85 ? 38.006 43.186 42.189 1.00 34.59 ? 84 HIS B CB 1 -ATOM 2860 C CG . HIS B 2 85 ? 36.650 43.776 41.936 1.00 31.67 ? 84 HIS B CG 1 -ATOM 2861 N ND1 . HIS B 2 85 ? 36.293 45.034 42.369 1.00 29.95 ? 84 HIS B ND1 1 -ATOM 2862 C CD2 . HIS B 2 85 ? 35.534 43.234 41.396 1.00 33.31 ? 84 HIS B CD2 1 -ATOM 2863 C CE1 . HIS B 2 85 ? 35.012 45.241 42.115 1.00 28.35 ? 84 HIS B CE1 1 -ATOM 2864 N NE2 . HIS B 2 85 ? 34.528 44.163 41.526 1.00 31.04 ? 84 HIS B NE2 1 -ATOM 2865 N N . VAL B 2 86 ? 38.772 45.739 40.348 1.00 43.48 ? 85 VAL B N 1 -ATOM 2866 C CA . VAL B 2 86 ? 39.174 47.152 40.246 1.00 46.38 ? 85 VAL B CA 1 -ATOM 2867 C C . VAL B 2 86 ? 39.348 47.906 41.561 1.00 45.36 ? 85 VAL B C 1 -ATOM 2868 O O . VAL B 2 86 ? 39.995 48.950 41.599 1.00 45.69 ? 85 VAL B O 1 -ATOM 2869 C CB . VAL B 2 86 ? 38.227 47.985 39.309 1.00 48.73 ? 85 VAL B CB 1 -ATOM 2870 C CG1 . VAL B 2 86 ? 38.512 47.663 37.856 1.00 56.50 ? 85 VAL B CG1 1 -ATOM 2871 C CG2 . VAL B 2 86 ? 36.758 47.712 39.620 1.00 44.65 ? 85 VAL B CG2 1 -ATOM 2872 N N . THR B 2 87 ? 38.755 47.381 42.628 1.00 46.36 ? 86 THR B N 1 -ATOM 2873 C CA . THR B 2 87 ? 38.838 48.006 43.944 1.00 46.37 ? 86 THR B CA 1 -ATOM 2874 C C . THR B 2 87 ? 40.176 47.657 44.590 1.00 48.01 ? 86 THR B C 1 -ATOM 2875 O O . THR B 2 87 ? 40.636 48.338 45.499 1.00 48.99 ? 86 THR B O 1 -ATOM 2876 C CB . THR B 2 87 ? 37.675 47.530 44.870 1.00 42.47 ? 86 THR B CB 1 -ATOM 2877 O OG1 . THR B 2 87 ? 37.389 46.142 44.632 1.00 41.19 ? 86 THR B OG1 1 -ATOM 2878 C CG2 . THR B 2 87 ? 36.423 48.346 44.623 1.00 32.31 ? 86 THR B CG2 1 -ATOM 2879 N N . LEU B 2 88 ? 40.807 46.608 44.080 1.00 48.46 ? 87 LEU B N 1 -ATOM 2880 C CA . LEU B 2 88 ? 42.065 46.125 44.608 1.00 49.70 ? 87 LEU B CA 1 -ATOM 2881 C C . LEU B 2 88 ? 43.295 46.631 43.852 1.00 56.26 ? 87 LEU B C 1 -ATOM 2882 O O . LEU B 2 88 ? 43.455 46.387 42.655 1.00 54.91 ? 87 LEU B O 1 -ATOM 2883 C CB . LEU B 2 88 ? 42.044 44.593 44.627 1.00 44.64 ? 87 LEU B CB 1 -ATOM 2884 C CG . LEU B 2 88 ? 40.878 43.957 45.389 1.00 33.51 ? 87 LEU B CG 1 -ATOM 2885 C CD1 . LEU B 2 88 ? 40.636 42.542 44.933 1.00 29.42 ? 87 LEU B CD1 1 -ATOM 2886 C CD2 . LEU B 2 88 ? 41.163 43.996 46.859 1.00 32.67 ? 87 LEU B CD2 1 -ATOM 2887 N N . SER B 2 89 ? 44.177 47.310 44.584 1.00 63.01 ? 88 SER B N 1 -ATOM 2888 C CA . SER B 2 89 ? 45.420 47.848 44.040 1.00 62.98 ? 88 SER B CA 1 -ATOM 2889 C C . SER B 2 89 ? 46.388 46.710 43.681 1.00 63.01 ? 88 SER B C 1 -ATOM 2890 O O . SER B 2 89 ? 47.368 46.922 42.962 1.00 58.73 ? 88 SER B O 1 -ATOM 2891 C CB . SER B 2 89 ? 46.063 48.814 45.058 1.00 66.85 ? 88 SER B CB 1 -ATOM 2892 O OG . SER B 2 89 ? 46.039 48.303 46.391 1.00 69.53 ? 88 SER B OG 1 -ATOM 2893 N N . GLN B 2 90 ? 46.098 45.514 44.198 1.00 66.06 ? 89 GLN B N 1 -ATOM 2894 C CA . GLN B 2 90 ? 46.899 44.305 43.980 1.00 67.07 ? 89 GLN B CA 1 -ATOM 2895 C C . GLN B 2 90 ? 45.996 43.084 44.213 1.00 63.87 ? 89 GLN B C 1 -ATOM 2896 O O . GLN B 2 90 ? 45.008 43.175 44.941 1.00 67.42 ? 89 GLN B O 1 -ATOM 2897 C CB . GLN B 2 90 ? 48.080 44.262 44.966 1.00 69.28 ? 89 GLN B CB 1 -ATOM 2898 C CG . GLN B 2 90 ? 47.677 44.154 46.442 1.00 76.95 ? 89 GLN B CG 1 -ATOM 2899 C CD . GLN B 2 90 ? 48.853 43.832 47.363 1.00 84.14 ? 89 GLN B CD 1 -ATOM 2900 O OE1 . GLN B 2 90 ? 50.001 43.706 46.919 1.00 84.90 ? 89 GLN B OE1 1 -ATOM 2901 N NE2 . GLN B 2 90 ? 48.570 43.702 48.655 1.00 84.74 ? 89 GLN B NE2 1 -ATOM 2902 N N . PRO B 2 91 ? 46.328 41.926 43.610 1.00 60.23 ? 90 PRO B N 1 -ATOM 2903 C CA . PRO B 2 91 ? 45.514 40.716 43.788 1.00 61.33 ? 90 PRO B CA 1 -ATOM 2904 C C . PRO B 2 91 ? 45.465 40.250 45.255 1.00 66.37 ? 90 PRO B C 1 -ATOM 2905 O O . PRO B 2 91 ? 46.502 40.059 45.900 1.00 69.80 ? 90 PRO B O 1 -ATOM 2906 C CB . PRO B 2 91 ? 46.237 39.688 42.915 1.00 54.96 ? 90 PRO B CB 1 -ATOM 2907 C CG . PRO B 2 91 ? 46.920 40.515 41.888 1.00 55.56 ? 90 PRO B CG 1 -ATOM 2908 C CD . PRO B 2 91 ? 47.448 41.663 42.695 1.00 58.36 ? 90 PRO B CD 1 -ATOM 2909 N N . LYS B 2 92 ? 44.259 40.083 45.784 1.00 66.18 ? 91 LYS B N 1 -ATOM 2910 C CA . LYS B 2 92 ? 44.082 39.631 47.158 1.00 62.84 ? 91 LYS B CA 1 -ATOM 2911 C C . LYS B 2 92 ? 44.291 38.115 47.182 1.00 59.01 ? 91 LYS B C 1 -ATOM 2912 O O . LYS B 2 92 ? 43.670 37.375 46.425 1.00 55.19 ? 91 LYS B O 1 -ATOM 2913 C CB . LYS B 2 92 ? 42.672 40.005 47.653 1.00 64.86 ? 91 LYS B CB 1 -ATOM 2914 C CG . LYS B 2 92 ? 42.385 39.773 49.139 1.00 65.90 ? 91 LYS B CG 1 -ATOM 2915 C CD . LYS B 2 92 ? 43.010 40.836 50.028 1.00 68.62 ? 91 LYS B CD 1 -ATOM 2916 C CE . LYS B 2 92 ? 42.666 40.591 51.492 1.00 69.39 ? 91 LYS B CE 1 -ATOM 2917 N NZ . LYS B 2 92 ? 43.600 41.300 52.424 1.00 72.64 ? 91 LYS B NZ 1 -ATOM 2918 N N . ILE B 2 93 ? 45.229 37.669 48.002 1.00 58.39 ? 92 ILE B N 1 -ATOM 2919 C CA . ILE B 2 93 ? 45.515 36.250 48.141 1.00 58.62 ? 92 ILE B CA 1 -ATOM 2920 C C . ILE B 2 93 ? 44.957 35.814 49.494 1.00 58.78 ? 92 ILE B C 1 -ATOM 2921 O O . ILE B 2 93 ? 45.248 36.433 50.523 1.00 64.20 ? 92 ILE B O 1 -ATOM 2922 C CB . ILE B 2 93 ? 47.024 35.977 48.147 1.00 59.43 ? 92 ILE B CB 1 -ATOM 2923 C CG1 . ILE B 2 93 ? 47.670 36.531 46.878 1.00 59.71 ? 92 ILE B CG1 1 -ATOM 2924 C CG2 . ILE B 2 93 ? 47.277 34.470 48.276 1.00 59.94 ? 92 ILE B CG2 1 -ATOM 2925 C CD1 . ILE B 2 93 ? 47.645 35.566 45.717 1.00 61.83 ? 92 ILE B CD1 1 -ATOM 2926 N N . VAL B 2 94 ? 44.153 34.759 49.494 1.00 52.34 ? 93 VAL B N 1 -ATOM 2927 C CA . VAL B 2 94 ? 43.570 34.256 50.721 1.00 46.08 ? 93 VAL B CA 1 -ATOM 2928 C C . VAL B 2 94 ? 43.931 32.786 50.841 1.00 45.85 ? 93 VAL B C 1 -ATOM 2929 O O . VAL B 2 94 ? 43.628 32.005 49.943 1.00 42.51 ? 93 VAL B O 1 -ATOM 2930 C CB . VAL B 2 94 ? 42.032 34.442 50.720 1.00 45.30 ? 93 VAL B CB 1 -ATOM 2931 C CG1 . VAL B 2 94 ? 41.408 33.740 51.914 1.00 47.19 ? 93 VAL B CG1 1 -ATOM 2932 C CG2 . VAL B 2 94 ? 41.692 35.931 50.761 1.00 40.65 ? 93 VAL B CG2 1 -ATOM 2933 N N . LYS B 2 95 ? 44.632 32.424 51.915 1.00 46.36 ? 94 LYS B N 1 -ATOM 2934 C CA . LYS B 2 95 ? 45.021 31.037 52.118 1.00 44.46 ? 94 LYS B CA 1 -ATOM 2935 C C . LYS B 2 95 ? 43.894 30.255 52.760 1.00 42.25 ? 94 LYS B C 1 -ATOM 2936 O O . LYS B 2 95 ? 43.056 30.813 53.467 1.00 41.32 ? 94 LYS B O 1 -ATOM 2937 C CB . LYS B 2 95 ? 46.272 30.930 52.985 1.00 49.07 ? 94 LYS B CB 1 -ATOM 2938 C CG . LYS B 2 95 ? 47.537 31.534 52.383 1.00 55.18 ? 94 LYS B CG 1 -ATOM 2939 C CD . LYS B 2 95 ? 48.727 31.274 53.303 1.00 59.74 ? 94 LYS B CD 1 -ATOM 2940 C CE . LYS B 2 95 ? 49.879 32.244 53.068 1.00 60.54 ? 94 LYS B CE 1 -ATOM 2941 N NZ . LYS B 2 95 ? 51.013 32.037 54.027 1.00 61.83 ? 94 LYS B NZ 1 -ATOM 2942 N N . TRP B 2 96 ? 43.860 28.961 52.481 1.00 41.15 ? 95 TRP B N 1 -ATOM 2943 C CA . TRP B 2 96 ? 42.847 28.090 53.034 1.00 44.98 ? 95 TRP B CA 1 -ATOM 2944 C C . TRP B 2 96 ? 43.274 27.582 54.399 1.00 54.25 ? 95 TRP B C 1 -ATOM 2945 O O . TRP B 2 96 ? 44.351 26.989 54.543 1.00 57.63 ? 95 TRP B O 1 -ATOM 2946 C CB . TRP B 2 96 ? 42.634 26.894 52.128 1.00 38.30 ? 95 TRP B CB 1 -ATOM 2947 C CG . TRP B 2 96 ? 41.702 25.889 52.707 1.00 32.30 ? 95 TRP B CG 1 -ATOM 2948 C CD1 . TRP B 2 96 ? 40.401 26.097 53.078 1.00 24.84 ? 95 TRP B CD1 1 -ATOM 2949 C CD2 . TRP B 2 96 ? 41.955 24.494 52.894 1.00 32.40 ? 95 TRP B CD2 1 -ATOM 2950 N NE1 . TRP B 2 96 ? 39.826 24.906 53.460 1.00 30.16 ? 95 TRP B NE1 1 -ATOM 2951 C CE2 . TRP B 2 96 ? 40.754 23.905 53.355 1.00 32.28 ? 95 TRP B CE2 1 -ATOM 2952 C CE3 . TRP B 2 96 ? 43.081 23.676 52.706 1.00 34.62 ? 95 TRP B CE3 1 -ATOM 2953 C CZ2 . TRP B 2 96 ? 40.646 22.528 53.629 1.00 34.26 ? 95 TRP B CZ2 1 -ATOM 2954 C CZ3 . TRP B 2 96 ? 42.969 22.304 52.980 1.00 32.92 ? 95 TRP B CZ3 1 -ATOM 2955 C CH2 . TRP B 2 96 ? 41.760 21.748 53.435 1.00 27.36 ? 95 TRP B CH2 1 -ATOM 2956 N N . ASP B 2 97 ? 42.413 27.781 55.392 1.00 56.77 ? 96 ASP B N 1 -ATOM 2957 C CA . ASP B 2 97 ? 42.684 27.316 56.743 1.00 55.52 ? 96 ASP B CA 1 -ATOM 2958 C C . ASP B 2 97 ? 41.530 26.390 57.044 1.00 56.41 ? 96 ASP B C 1 -ATOM 2959 O O . ASP B 2 97 ? 40.391 26.839 57.102 1.00 59.40 ? 96 ASP B O 1 -ATOM 2960 C CB . ASP B 2 97 ? 42.691 28.485 57.727 1.00 60.16 ? 96 ASP B CB 1 -ATOM 2961 C CG . ASP B 2 97 ? 42.894 28.037 59.168 1.00 65.86 ? 96 ASP B CG 1 -ATOM 2962 O OD1 . ASP B 2 97 ? 43.242 26.853 59.394 1.00 69.98 ? 96 ASP B OD1 1 -ATOM 2963 O OD2 . ASP B 2 97 ? 42.702 28.873 60.081 1.00 69.88 ? 96 ASP B OD2 1 -ATOM 2964 N N . ARG B 2 98 ? 41.823 25.109 57.259 1.00 56.09 ? 97 ARG B N 1 -ATOM 2965 C CA . ARG B 2 98 ? 40.777 24.118 57.513 1.00 56.86 ? 97 ARG B CA 1 -ATOM 2966 C C . ARG B 2 98 ? 39.858 24.329 58.728 1.00 59.63 ? 97 ARG B C 1 -ATOM 2967 O O . ARG B 2 98 ? 38.938 23.536 58.961 1.00 60.32 ? 97 ARG B O 1 -ATOM 2968 C CB . ARG B 2 98 ? 41.372 22.712 57.509 1.00 54.38 ? 97 ARG B CB 1 -ATOM 2969 C CG . ARG B 2 98 ? 42.524 22.515 58.450 1.00 55.68 ? 97 ARG B CG 1 -ATOM 2970 C CD . ARG B 2 98 ? 42.914 21.055 58.480 1.00 55.45 ? 97 ARG B CD 1 -ATOM 2971 N NE . ARG B 2 98 ? 43.806 20.712 57.379 1.00 55.16 ? 97 ARG B NE 1 -ATOM 2972 C CZ . ARG B 2 98 ? 43.817 19.536 56.761 1.00 56.01 ? 97 ARG B CZ 1 -ATOM 2973 N NH1 . ARG B 2 98 ? 42.967 18.581 57.124 1.00 56.18 ? 97 ARG B NH1 1 -ATOM 2974 N NH2 . ARG B 2 98 ? 44.718 19.301 55.813 1.00 55.21 ? 97 ARG B NH2 1 -ATOM 2975 N N . ASP B 2 99 ? 40.102 25.402 59.480 1.00 62.17 ? 98 ASP B N 1 -ATOM 2976 C CA . ASP B 2 99 ? 39.305 25.758 60.662 1.00 61.89 ? 98 ASP B CA 1 -ATOM 2977 C C . ASP B 2 99 ? 38.404 26.983 60.386 1.00 58.46 ? 98 ASP B C 1 -ATOM 2978 O O . ASP B 2 99 ? 37.798 27.547 61.304 1.00 55.59 ? 98 ASP B O 1 -ATOM 2979 C CB . ASP B 2 99 ? 40.227 26.035 61.872 1.00 60.91 ? 98 ASP B CB 1 -ATOM 2980 C CG . ASP B 2 99 ? 41.123 24.842 62.229 1.00 59.41 ? 98 ASP B CG 1 -ATOM 2981 O OD1 . ASP B 2 99 ? 40.631 23.692 62.198 1.00 63.24 ? 98 ASP B OD1 1 -ATOM 2982 O OD2 . ASP B 2 99 ? 42.315 25.053 62.551 1.00 49.32 ? 98 ASP B OD2 1 -ATOM 2983 N N . MET B 2 100 ? 38.335 27.389 59.120 1.00 55.18 ? 99 MET B N 1 -ATOM 2984 C CA . MET B 2 100 ? 37.516 28.518 58.695 1.00 55.22 ? 99 MET B CA 1 -ATOM 2985 C C . MET B 2 100 ? 36.655 28.124 57.495 1.00 57.44 ? 99 MET B C 1 -ATOM 2986 O O . MET B 2 100 ? 35.692 28.854 57.199 1.00 56.29 ? 99 MET B O 1 -ATOM 2987 C CB . MET B 2 100 ? 38.392 29.709 58.319 1.00 54.73 ? 99 MET B CB 1 -ATOM 2988 C CG . MET B 2 100 ? 38.944 30.468 59.491 1.00 55.66 ? 99 MET B CG 1 -ATOM 2989 S SD . MET B 2 100 ? 40.009 31.806 58.930 1.00 67.10 ? 99 MET B SD 1 -ATOM 2990 C CE . MET B 2 100 ? 39.057 33.255 59.408 1.00 65.59 ? 99 MET B CE 1 -ATOM 2991 O OXT . MET B 2 100 ? 36.930 27.079 56.865 1.00 63.11 ? 99 MET B OXT 1 -ATOM 2992 N N . LEU C 3 1 ? 8.747 29.906 34.624 1.00 27.96 ? 1 LEU C N 1 -ATOM 2993 C CA . LEU C 3 1 ? 8.526 30.468 33.267 1.00 28.73 ? 1 LEU C CA 1 -ATOM 2994 C C . LEU C 3 1 ? 8.849 31.957 33.325 1.00 27.50 ? 1 LEU C C 1 -ATOM 2995 O O . LEU C 3 1 ? 8.493 32.617 34.289 1.00 29.89 ? 1 LEU C O 1 -ATOM 2996 C CB . LEU C 3 1 ? 7.073 30.272 32.867 1.00 29.19 ? 1 LEU C CB 1 -ATOM 2997 C CG . LEU C 3 1 ? 6.788 30.392 31.380 1.00 27.52 ? 1 LEU C CG 1 -ATOM 2998 C CD1 . LEU C 3 1 ? 7.337 29.161 30.682 1.00 28.19 ? 1 LEU C CD1 1 -ATOM 2999 C CD2 . LEU C 3 1 ? 5.285 30.511 31.156 1.00 27.18 ? 1 LEU C CD2 1 -ATOM 3000 N N . LEU C 3 2 ? 9.594 32.454 32.346 1.00 26.72 ? 2 LEU C N 1 -ATOM 3001 C CA . LEU C 3 2 ? 9.955 33.859 32.313 1.00 24.17 ? 2 LEU C CA 1 -ATOM 3002 C C . LEU C 3 2 ? 8.797 34.727 31.863 1.00 25.70 ? 2 LEU C C 1 -ATOM 3003 O O . LEU C 3 2 ? 7.815 34.252 31.283 1.00 27.53 ? 2 LEU C O 1 -ATOM 3004 C CB . LEU C 3 2 ? 11.115 34.120 31.354 1.00 19.35 ? 2 LEU C CB 1 -ATOM 3005 C CG . LEU C 3 2 ? 12.559 33.732 31.602 1.00 21.18 ? 2 LEU C CG 1 -ATOM 3006 C CD1 . LEU C 3 2 ? 12.866 32.531 30.798 1.00 27.30 ? 2 LEU C CD1 1 -ATOM 3007 C CD2 . LEU C 3 2 ? 13.461 34.842 31.116 1.00 26.86 ? 2 LEU C CD2 1 -ATOM 3008 N N . PHE C 3 3 ? 8.952 36.019 32.123 1.00 31.27 ? 3 PHE C N 1 -ATOM 3009 C CA . PHE C 3 3 ? 7.992 37.045 31.738 1.00 30.86 ? 3 PHE C CA 1 -ATOM 3010 C C . PHE C 3 3 ? 8.092 37.130 30.215 1.00 28.94 ? 3 PHE C C 1 -ATOM 3011 O O . PHE C 3 3 ? 9.177 36.981 29.646 1.00 26.80 ? 3 PHE C O 1 -ATOM 3012 C CB . PHE C 3 3 ? 8.408 38.378 32.379 1.00 25.23 ? 3 PHE C CB 1 -ATOM 3013 C CG . PHE C 3 3 ? 7.573 39.553 31.962 1.00 15.06 ? 3 PHE C CG 1 -ATOM 3014 C CD1 . PHE C 3 3 ? 6.201 39.433 31.818 1.00 17.71 ? 3 PHE C CD1 1 -ATOM 3015 C CD2 . PHE C 3 3 ? 8.159 40.795 31.776 1.00 13.97 ? 3 PHE C CD2 1 -ATOM 3016 C CE1 . PHE C 3 3 ? 5.421 40.546 31.504 1.00 13.07 ? 3 PHE C CE1 1 -ATOM 3017 C CE2 . PHE C 3 3 ? 7.393 41.916 31.463 1.00 13.40 ? 3 PHE C CE2 1 -ATOM 3018 C CZ . PHE C 3 3 ? 6.025 41.795 31.327 1.00 9.56 ? 3 PHE C CZ 1 -ATOM 3019 N N . GLY C 3 4 ? 6.976 37.389 29.559 1.00 27.95 ? 4 GLY C N 1 -ATOM 3020 C CA . GLY C 3 4 ? 7.020 37.457 28.116 1.00 32.61 ? 4 GLY C CA 1 -ATOM 3021 C C . GLY C 3 4 ? 6.967 38.809 27.433 1.00 33.23 ? 4 GLY C C 1 -ATOM 3022 O O . GLY C 3 4 ? 7.038 38.846 26.200 1.00 39.20 ? 4 GLY C O 1 -ATOM 3023 N N . TYR C 3 5 ? 6.870 39.908 28.188 1.00 30.22 ? 5 TYR C N 1 -ATOM 3024 C CA . TYR C 3 5 ? 6.764 41.232 27.566 1.00 23.52 ? 5 TYR C CA 1 -ATOM 3025 C C . TYR C 3 5 ? 7.662 42.332 28.079 1.00 23.22 ? 5 TYR C C 1 -ATOM 3026 O O . TYR C 3 5 ? 7.173 43.374 28.529 1.00 28.19 ? 5 TYR C O 1 -ATOM 3027 C CB . TYR C 3 5 ? 5.313 41.727 27.590 1.00 17.96 ? 5 TYR C CB 1 -ATOM 3028 C CG . TYR C 3 5 ? 4.348 40.707 27.038 1.00 17.80 ? 5 TYR C CG 1 -ATOM 3029 C CD1 . TYR C 3 5 ? 4.137 39.509 27.711 1.00 14.87 ? 5 TYR C CD1 1 -ATOM 3030 C CD2 . TYR C 3 5 ? 3.713 40.895 25.819 1.00 12.75 ? 5 TYR C CD2 1 -ATOM 3031 C CE1 . TYR C 3 5 ? 3.347 38.526 27.195 1.00 19.43 ? 5 TYR C CE1 1 -ATOM 3032 C CE2 . TYR C 3 5 ? 2.908 39.908 25.292 1.00 15.01 ? 5 TYR C CE2 1 -ATOM 3033 C CZ . TYR C 3 5 ? 2.740 38.721 25.994 1.00 17.70 ? 5 TYR C CZ 1 -ATOM 3034 O OH . TYR C 3 5 ? 1.994 37.689 25.514 1.00 31.33 ? 5 TYR C OH 1 -ATOM 3035 N N . PRO C 3 6 ? 8.987 42.100 28.080 1.00 21.62 ? 6 PRO C N 1 -ATOM 3036 C CA . PRO C 3 6 ? 9.892 43.156 28.556 1.00 20.31 ? 6 PRO C CA 1 -ATOM 3037 C C . PRO C 3 6 ? 9.883 44.311 27.542 1.00 23.22 ? 6 PRO C C 1 -ATOM 3038 O O . PRO C 3 6 ? 9.742 44.083 26.343 1.00 35.12 ? 6 PRO C O 1 -ATOM 3039 C CB . PRO C 3 6 ? 11.248 42.439 28.606 1.00 18.05 ? 6 PRO C CB 1 -ATOM 3040 C CG . PRO C 3 6 ? 11.117 41.348 27.548 1.00 8.09 ? 6 PRO C CG 1 -ATOM 3041 C CD . PRO C 3 6 ? 9.720 40.851 27.797 1.00 16.91 ? 6 PRO C CD 1 -ATOM 3042 N N . VAL C 3 7 ? 10.033 45.542 28.013 1.00 24.96 ? 7 VAL C N 1 -ATOM 3043 C CA . VAL C 3 7 ? 10.010 46.709 27.139 1.00 21.69 ? 7 VAL C CA 1 -ATOM 3044 C C . VAL C 3 7 ? 11.235 47.545 27.393 1.00 21.29 ? 7 VAL C C 1 -ATOM 3045 O O . VAL C 3 7 ? 11.759 47.538 28.492 1.00 31.32 ? 7 VAL C O 1 -ATOM 3046 C CB . VAL C 3 7 ? 8.736 47.552 27.387 1.00 27.73 ? 7 VAL C CB 1 -ATOM 3047 C CG1 . VAL C 3 7 ? 8.817 48.903 26.664 1.00 35.39 ? 7 VAL C CG1 1 -ATOM 3048 C CG2 . VAL C 3 7 ? 7.495 46.770 26.916 1.00 27.50 ? 7 VAL C CG2 1 -ATOM 3049 N N . TYR C 3 8 ? 11.716 48.222 26.363 1.00 24.74 ? 8 TYR C N 1 -ATOM 3050 C CA . TYR C 3 8 ? 12.897 49.069 26.472 1.00 30.44 ? 8 TYR C CA 1 -ATOM 3051 C C . TYR C 3 8 ? 12.655 50.211 27.465 1.00 33.78 ? 8 TYR C C 1 -ATOM 3052 O O . TYR C 3 8 ? 11.530 50.713 27.573 1.00 33.54 ? 8 TYR C O 1 -ATOM 3053 C CB . TYR C 3 8 ? 13.254 49.642 25.088 1.00 35.90 ? 8 TYR C CB 1 -ATOM 3054 C CG . TYR C 3 8 ? 13.536 48.595 24.024 1.00 39.76 ? 8 TYR C CG 1 -ATOM 3055 C CD1 . TYR C 3 8 ? 14.425 47.547 24.264 1.00 41.30 ? 8 TYR C CD1 1 -ATOM 3056 C CD2 . TYR C 3 8 ? 12.926 48.662 22.778 1.00 38.67 ? 8 TYR C CD2 1 -ATOM 3057 C CE1 . TYR C 3 8 ? 14.702 46.593 23.295 1.00 42.88 ? 8 TYR C CE1 1 -ATOM 3058 C CE2 . TYR C 3 8 ? 13.196 47.710 21.791 1.00 44.72 ? 8 TYR C CE2 1 -ATOM 3059 C CZ . TYR C 3 8 ? 14.089 46.677 22.053 1.00 47.03 ? 8 TYR C CZ 1 -ATOM 3060 O OH . TYR C 3 8 ? 14.395 45.754 21.064 1.00 44.11 ? 8 TYR C OH 1 -ATOM 3061 N N . VAL C 3 9 ? 13.699 50.593 28.207 1.00 33.31 ? 9 VAL C N 1 -ATOM 3062 C CA . VAL C 3 9 ? 13.606 51.680 29.177 1.00 30.25 ? 9 VAL C CA 1 -ATOM 3063 C C . VAL C 3 9 ? 13.748 53.015 28.468 1.00 37.94 ? 9 VAL C C 1 -ATOM 3064 O O . VAL C 3 9 ? 13.333 54.025 29.062 1.00 47.08 ? 9 VAL C O 1 -ATOM 3065 C CB . VAL C 3 9 ? 14.710 51.618 30.267 1.00 26.33 ? 9 VAL C CB 1 -ATOM 3066 C CG1 . VAL C 3 9 ? 14.662 50.307 31.013 1.00 30.08 ? 9 VAL C CG1 1 -ATOM 3067 C CG2 . VAL C 3 9 ? 16.073 51.872 29.674 1.00 11.60 ? 9 VAL C CG2 1 -ATOM 3068 O OXT . VAL C 3 9 ? 14.315 53.043 27.354 1.00 42.75 ? 9 VAL C OXT 1 -ATOM 3069 N N . GLN D 4 1 ? 1.873 23.695 21.102 1.00 54.14 ? 1 GLN D N 1 -ATOM 3070 C CA . GLN D 4 1 ? 1.149 24.990 21.258 1.00 56.06 ? 1 GLN D CA 1 -ATOM 3071 C C . GLN D 4 1 ? 0.037 25.014 20.227 1.00 56.05 ? 1 GLN D C 1 -ATOM 3072 O O . GLN D 4 1 ? 0.201 25.597 19.159 1.00 64.80 ? 1 GLN D O 1 -ATOM 3073 C CB . GLN D 4 1 ? 2.107 26.154 21.009 1.00 53.77 ? 1 GLN D CB 1 -ATOM 3074 C CG . GLN D 4 1 ? 3.380 26.068 21.833 1.00 64.69 ? 1 GLN D CG 1 -ATOM 3075 C CD . GLN D 4 1 ? 4.496 26.920 21.270 1.00 68.07 ? 1 GLN D CD 1 -ATOM 3076 O OE1 . GLN D 4 1 ? 4.253 28.015 20.774 1.00 66.79 ? 1 GLN D OE1 1 -ATOM 3077 N NE2 . GLN D 4 1 ? 5.728 26.411 21.328 1.00 73.27 ? 1 GLN D NE2 1 -ATOM 3078 N N . GLN D 4 2 ? -1.065 24.333 20.527 1.00 50.10 ? 2 GLN D N 1 -ATOM 3079 C CA . GLN D 4 2 ? -2.197 24.255 19.610 1.00 47.53 ? 2 GLN D CA 1 -ATOM 3080 C C . GLN D 4 2 ? -3.390 25.065 20.119 1.00 41.71 ? 2 GLN D C 1 -ATOM 3081 O O . GLN D 4 2 ? -3.625 25.152 21.322 1.00 41.34 ? 2 GLN D O 1 -ATOM 3082 C CB . GLN D 4 2 ? -2.607 22.786 19.423 1.00 52.88 ? 2 GLN D CB 1 -ATOM 3083 C CG . GLN D 4 2 ? -3.291 22.453 18.091 1.00 66.32 ? 2 GLN D CG 1 -ATOM 3084 C CD . GLN D 4 2 ? -2.307 22.144 16.948 1.00 73.83 ? 2 GLN D CD 1 -ATOM 3085 O OE1 . GLN D 4 2 ? -1.092 22.348 17.069 1.00 77.55 ? 2 GLN D OE1 1 -ATOM 3086 N NE2 . GLN D 4 2 ? -2.839 21.648 15.833 1.00 76.11 ? 2 GLN D NE2 1 -ATOM 3087 N N . VAL D 4 3 ? -4.086 25.722 19.200 1.00 38.13 ? 3 VAL D N 1 -ATOM 3088 C CA . VAL D 4 3 ? -5.275 26.502 19.528 1.00 33.35 ? 3 VAL D CA 1 -ATOM 3089 C C . VAL D 4 3 ? -6.327 25.877 18.636 1.00 36.11 ? 3 VAL D C 1 -ATOM 3090 O O . VAL D 4 3 ? -6.214 25.917 17.417 1.00 37.78 ? 3 VAL D O 1 -ATOM 3091 C CB . VAL D 4 3 ? -5.137 27.987 19.159 1.00 26.16 ? 3 VAL D CB 1 -ATOM 3092 C CG1 . VAL D 4 3 ? -6.434 28.718 19.512 1.00 21.62 ? 3 VAL D CG1 1 -ATOM 3093 C CG2 . VAL D 4 3 ? -3.934 28.605 19.871 1.00 22.01 ? 3 VAL D CG2 1 -ATOM 3094 N N . LYS D 4 4 ? -7.309 25.230 19.238 1.00 41.68 ? 4 LYS D N 1 -ATOM 3095 C CA . LYS D 4 4 ? -8.321 24.562 18.457 1.00 45.99 ? 4 LYS D CA 1 -ATOM 3096 C C . LYS D 4 4 ? -9.637 25.305 18.396 1.00 44.97 ? 4 LYS D C 1 -ATOM 3097 O O . LYS D 4 4 ? -10.232 25.607 19.420 1.00 47.98 ? 4 LYS D O 1 -ATOM 3098 C CB . LYS D 4 4 ? -8.524 23.128 18.976 1.00 43.65 ? 4 LYS D CB 1 -ATOM 3099 N N . GLN D 4 5 ? -10.053 25.657 17.188 1.00 50.42 ? 5 GLN D N 1 -ATOM 3100 C CA . GLN D 4 5 ? -11.338 26.317 16.983 1.00 56.58 ? 5 GLN D CA 1 -ATOM 3101 C C . GLN D 4 5 ? -12.208 25.327 16.217 1.00 62.50 ? 5 GLN D C 1 -ATOM 3102 O O . GLN D 4 5 ? -12.062 25.165 15.004 1.00 64.40 ? 5 GLN D O 1 -ATOM 3103 C CB . GLN D 4 5 ? -11.200 27.588 16.150 1.00 51.37 ? 5 GLN D CB 1 -ATOM 3104 C CG . GLN D 4 5 ? -10.322 28.648 16.739 1.00 43.70 ? 5 GLN D CG 1 -ATOM 3105 C CD . GLN D 4 5 ? -10.193 29.825 15.822 1.00 36.20 ? 5 GLN D CD 1 -ATOM 3106 O OE1 . GLN D 4 5 ? -11.097 30.638 15.716 1.00 38.03 ? 5 GLN D OE1 1 -ATOM 3107 N NE2 . GLN D 4 5 ? -9.063 29.924 15.146 1.00 33.54 ? 5 GLN D NE2 1 -ATOM 3108 N N . ASN D 4 6 ? -13.030 24.579 16.941 1.00 69.45 ? 6 ASN D N 1 -ATOM 3109 C CA . ASN D 4 6 ? -13.931 23.629 16.303 1.00 72.28 ? 6 ASN D CA 1 -ATOM 3110 C C . ASN D 4 6 ? -15.020 24.487 15.679 1.00 73.29 ? 6 ASN D C 1 -ATOM 3111 O O . ASN D 4 6 ? -15.052 25.701 15.899 1.00 79.35 ? 6 ASN D O 1 -ATOM 3112 C CB . ASN D 4 6 ? -14.544 22.690 17.340 1.00 79.21 ? 6 ASN D CB 1 -ATOM 3113 C CG . ASN D 4 6 ? -13.608 21.564 17.741 1.00 83.12 ? 6 ASN D CG 1 -ATOM 3114 O OD1 . ASN D 4 6 ? -13.931 20.387 17.564 1.00 87.22 ? 6 ASN D OD1 1 -ATOM 3115 N ND2 . ASN D 4 6 ? -12.450 21.913 18.291 1.00 81.04 ? 6 ASN D ND2 1 -ATOM 3116 N N . SER D 4 7 ? -15.950 23.860 14.971 1.00 68.63 ? 7 SER D N 1 -ATOM 3117 C CA . SER D 4 7 ? -17.028 24.600 14.325 1.00 68.89 ? 7 SER D CA 1 -ATOM 3118 C C . SER D 4 7 ? -16.459 25.599 13.319 1.00 65.65 ? 7 SER D C 1 -ATOM 3119 O O . SER D 4 7 ? -16.195 26.759 13.652 1.00 66.27 ? 7 SER D O 1 -ATOM 3120 C CB . SER D 4 7 ? -17.901 25.333 15.356 1.00 69.15 ? 7 SER D CB 1 -ATOM 3121 O OG . SER D 4 7 ? -18.576 24.416 16.197 1.00 71.03 ? 7 SER D OG 1 -ATOM 3122 N N . PRO D 4 8 ? -16.262 25.146 12.071 1.00 60.96 ? 8 PRO D N 1 -ATOM 3123 C CA . PRO D 4 8 ? -15.730 25.920 10.947 1.00 56.06 ? 8 PRO D CA 1 -ATOM 3124 C C . PRO D 4 8 ? -16.667 27.045 10.496 1.00 55.13 ? 8 PRO D C 1 -ATOM 3125 O O . PRO D 4 8 ? -16.212 28.092 10.044 1.00 54.64 ? 8 PRO D O 1 -ATOM 3126 C CB . PRO D 4 8 ? -15.605 24.870 9.848 1.00 55.92 ? 8 PRO D CB 1 -ATOM 3127 C CG . PRO D 4 8 ? -15.506 23.566 10.606 1.00 58.17 ? 8 PRO D CG 1 -ATOM 3128 C CD . PRO D 4 8 ? -16.507 23.750 11.673 1.00 57.11 ? 8 PRO D CD 1 -ATOM 3129 N N . SER D 4 9 ? -17.972 26.814 10.613 1.00 57.85 ? 9 SER D N 1 -ATOM 3130 C CA . SER D 4 9 ? -18.976 27.784 10.181 1.00 61.32 ? 9 SER D CA 1 -ATOM 3131 C C . SER D 4 9 ? -19.978 28.195 11.255 1.00 59.96 ? 9 SER D C 1 -ATOM 3132 O O . SER D 4 9 ? -20.176 27.484 12.244 1.00 62.72 ? 9 SER D O 1 -ATOM 3133 C CB . SER D 4 9 ? -19.750 27.203 8.996 1.00 65.73 ? 9 SER D CB 1 -ATOM 3134 O OG . SER D 4 9 ? -20.403 25.994 9.364 1.00 75.51 ? 9 SER D OG 1 -ATOM 3135 N N . LEU D 4 10 ? -20.674 29.300 10.992 1.00 57.61 ? 10 LEU D N 1 -ATOM 3136 C CA . LEU D 4 10 ? -21.683 29.824 11.899 1.00 53.79 ? 10 LEU D CA 1 -ATOM 3137 C C . LEU D 4 10 ? -22.508 30.940 11.256 1.00 52.11 ? 10 LEU D C 1 -ATOM 3138 O O . LEU D 4 10 ? -21.964 31.961 10.835 1.00 48.34 ? 10 LEU D O 1 -ATOM 3139 C CB . LEU D 4 10 ? -21.024 30.361 13.169 1.00 56.41 ? 10 LEU D CB 1 -ATOM 3140 C CG . LEU D 4 10 ? -21.995 30.791 14.267 1.00 54.90 ? 10 LEU D CG 1 -ATOM 3141 C CD1 . LEU D 4 10 ? -22.678 29.563 14.858 1.00 56.46 ? 10 LEU D CD1 1 -ATOM 3142 C CD2 . LEU D 4 10 ? -21.251 31.559 15.337 1.00 55.54 ? 10 LEU D CD2 1 -ATOM 3143 N N . SER D 4 11 ? -23.820 30.737 11.187 1.00 50.29 ? 11 SER D N 1 -ATOM 3144 C CA . SER D 4 11 ? -24.728 31.732 10.634 1.00 47.48 ? 11 SER D CA 1 -ATOM 3145 C C . SER D 4 11 ? -25.655 32.177 11.760 1.00 46.58 ? 11 SER D C 1 -ATOM 3146 O O . SER D 4 11 ? -26.139 31.354 12.533 1.00 44.12 ? 11 SER D O 1 -ATOM 3147 C CB . SER D 4 11 ? -25.563 31.138 9.495 1.00 55.46 ? 11 SER D CB 1 -ATOM 3148 O OG . SER D 4 11 ? -24.796 30.872 8.326 1.00 64.06 ? 11 SER D OG 1 -ATOM 3149 N N . VAL D 4 12 ? -25.902 33.478 11.848 1.00 46.70 ? 12 VAL D N 1 -ATOM 3150 C CA . VAL D 4 12 ? -26.770 34.042 12.877 1.00 47.37 ? 12 VAL D CA 1 -ATOM 3151 C C . VAL D 4 12 ? -27.580 35.180 12.261 1.00 49.24 ? 12 VAL D C 1 -ATOM 3152 O O . VAL D 4 12 ? -27.012 36.067 11.614 1.00 48.13 ? 12 VAL D O 1 -ATOM 3153 C CB . VAL D 4 12 ? -25.952 34.608 14.061 1.00 48.96 ? 12 VAL D CB 1 -ATOM 3154 C CG1 . VAL D 4 12 ? -25.476 33.489 14.965 1.00 50.82 ? 12 VAL D CG1 1 -ATOM 3155 C CG2 . VAL D 4 12 ? -24.759 35.405 13.545 1.00 51.19 ? 12 VAL D CG2 1 -ATOM 3156 N N . GLN D 4 13 ? -28.900 35.155 12.443 1.00 47.17 ? 13 GLN D N 1 -ATOM 3157 C CA . GLN D 4 13 ? -29.752 36.196 11.881 1.00 45.83 ? 13 GLN D CA 1 -ATOM 3158 C C . GLN D 4 13 ? -29.295 37.535 12.410 1.00 43.33 ? 13 GLN D C 1 -ATOM 3159 O O . GLN D 4 13 ? -28.715 37.611 13.486 1.00 46.92 ? 13 GLN D O 1 -ATOM 3160 C CB . GLN D 4 13 ? -31.223 35.972 12.254 1.00 50.54 ? 13 GLN D CB 1 -ATOM 3161 C CG . GLN D 4 13 ? -32.210 35.850 11.067 1.00 57.39 ? 13 GLN D CG 1 -ATOM 3162 C CD . GLN D 4 13 ? -31.578 36.125 9.711 1.00 58.85 ? 13 GLN D CD 1 -ATOM 3163 O OE1 . GLN D 4 13 ? -31.137 35.205 9.016 1.00 60.94 ? 13 GLN D OE1 1 -ATOM 3164 N NE2 . GLN D 4 13 ? -31.526 37.391 9.335 1.00 59.50 ? 13 GLN D NE2 1 -ATOM 3165 N N . GLU D 4 14 ? -29.522 38.587 11.641 1.00 45.13 ? 14 GLU D N 1 -ATOM 3166 C CA . GLU D 4 14 ? -29.130 39.913 12.080 1.00 47.90 ? 14 GLU D CA 1 -ATOM 3167 C C . GLU D 4 14 ? -29.845 40.269 13.369 1.00 47.02 ? 14 GLU D C 1 -ATOM 3168 O O . GLU D 4 14 ? -30.993 39.867 13.597 1.00 42.09 ? 14 GLU D O 1 -ATOM 3169 C CB . GLU D 4 14 ? -29.454 40.961 11.022 1.00 52.06 ? 14 GLU D CB 1 -ATOM 3170 C CG . GLU D 4 14 ? -28.963 42.349 11.407 1.00 57.28 ? 14 GLU D CG 1 -ATOM 3171 C CD . GLU D 4 14 ? -29.370 43.428 10.432 1.00 63.55 ? 14 GLU D CD 1 -ATOM 3172 O OE1 . GLU D 4 14 ? -29.831 43.110 9.307 1.00 66.86 ? 14 GLU D OE1 1 -ATOM 3173 O OE2 . GLU D 4 14 ? -29.216 44.612 10.804 1.00 69.38 ? 14 GLU D OE2 1 -ATOM 3174 N N . GLY D 4 15 ? -29.152 41.026 14.210 1.00 50.50 ? 15 GLY D N 1 -ATOM 3175 C CA . GLY D 4 15 ? -29.726 41.438 15.474 1.00 53.03 ? 15 GLY D CA 1 -ATOM 3176 C C . GLY D 4 15 ? -29.492 40.445 16.599 1.00 50.38 ? 15 GLY D C 1 -ATOM 3177 O O . GLY D 4 15 ? -29.488 40.821 17.770 1.00 50.02 ? 15 GLY D O 1 -ATOM 3178 N N . ARG D 4 16 ? -29.317 39.174 16.246 1.00 48.04 ? 16 ARG D N 1 -ATOM 3179 C CA . ARG D 4 16 ? -29.080 38.130 17.228 1.00 48.79 ? 16 ARG D CA 1 -ATOM 3180 C C . ARG D 4 16 ? -27.647 38.136 17.780 1.00 52.40 ? 16 ARG D C 1 -ATOM 3181 O O . ARG D 4 16 ? -26.853 39.045 17.502 1.00 54.56 ? 16 ARG D O 1 -ATOM 3182 C CB . ARG D 4 16 ? -29.435 36.776 16.647 1.00 44.11 ? 16 ARG D CB 1 -ATOM 3183 N N . ILE D 4 17 ? -27.345 37.133 18.601 1.00 52.87 ? 17 ILE D N 1 -ATOM 3184 C CA . ILE D 4 17 ? -26.043 36.995 19.243 1.00 49.07 ? 17 ILE D CA 1 -ATOM 3185 C C . ILE D 4 17 ? -25.201 35.926 18.562 1.00 46.94 ? 17 ILE D C 1 -ATOM 3186 O O . ILE D 4 17 ? -25.713 34.882 18.145 1.00 48.08 ? 17 ILE D O 1 -ATOM 3187 C CB . ILE D 4 17 ? -26.215 36.608 20.739 1.00 49.98 ? 17 ILE D CB 1 -ATOM 3188 C CG1 . ILE D 4 17 ? -24.874 36.663 21.460 1.00 46.88 ? 17 ILE D CG1 1 -ATOM 3189 C CG2 . ILE D 4 17 ? -26.802 35.190 20.864 1.00 52.95 ? 17 ILE D CG2 1 -ATOM 3190 C CD1 . ILE D 4 17 ? -24.968 36.408 22.941 1.00 45.43 ? 17 ILE D CD1 1 -ATOM 3191 N N . SER D 4 18 ? -23.910 36.197 18.442 1.00 47.82 ? 18 SER D N 1 -ATOM 3192 C CA . SER D 4 18 ? -22.991 35.249 17.840 1.00 48.99 ? 18 SER D CA 1 -ATOM 3193 C C . SER D 4 18 ? -21.872 34.975 18.839 1.00 47.77 ? 18 SER D C 1 -ATOM 3194 O O . SER D 4 18 ? -21.223 35.895 19.338 1.00 44.53 ? 18 SER D O 1 -ATOM 3195 C CB . SER D 4 18 ? -22.439 35.772 16.504 1.00 51.48 ? 18 SER D CB 1 -ATOM 3196 O OG . SER D 4 18 ? -22.745 37.144 16.279 1.00 58.78 ? 18 SER D OG 1 -ATOM 3197 N N . ILE D 4 19 ? -21.712 33.707 19.195 1.00 48.33 ? 19 ILE D N 1 -ATOM 3198 C CA . ILE D 4 19 ? -20.689 33.303 20.143 1.00 49.18 ? 19 ILE D CA 1 -ATOM 3199 C C . ILE D 4 19 ? -19.716 32.326 19.486 1.00 49.64 ? 19 ILE D C 1 -ATOM 3200 O O . ILE D 4 19 ? -20.114 31.242 19.040 1.00 48.35 ? 19 ILE D O 1 -ATOM 3201 C CB . ILE D 4 19 ? -21.342 32.659 21.383 1.00 50.57 ? 19 ILE D CB 1 -ATOM 3202 N N . LEU D 4 20 ? -18.452 32.731 19.400 1.00 45.13 ? 20 LEU D N 1 -ATOM 3203 C CA . LEU D 4 20 ? -17.402 31.898 18.828 1.00 45.55 ? 20 LEU D CA 1 -ATOM 3204 C C . LEU D 4 20 ? -16.535 31.373 20.003 1.00 47.98 ? 20 LEU D C 1 -ATOM 3205 O O . LEU D 4 20 ? -16.064 32.166 20.826 1.00 48.19 ? 20 LEU D O 1 -ATOM 3206 C CB . LEU D 4 20 ? -16.560 32.716 17.829 1.00 48.42 ? 20 LEU D CB 1 -ATOM 3207 N N . ASN D 4 21 ? -16.387 30.045 20.103 1.00 45.03 ? 21 ASN D N 1 -ATOM 3208 C CA . ASN D 4 21 ? -15.604 29.391 21.164 1.00 43.73 ? 21 ASN D CA 1 -ATOM 3209 C C . ASN D 4 21 ? -14.200 28.990 20.703 1.00 46.24 ? 21 ASN D C 1 -ATOM 3210 O O . ASN D 4 21 ? -13.971 28.797 19.505 1.00 52.08 ? 21 ASN D O 1 -ATOM 3211 C CB . ASN D 4 21 ? -16.304 28.122 21.662 1.00 42.22 ? 21 ASN D CB 1 -ATOM 3212 C CG . ASN D 4 21 ? -17.682 28.380 22.202 1.00 39.20 ? 21 ASN D CG 1 -ATOM 3213 O OD1 . ASN D 4 21 ? -17.859 28.653 23.385 1.00 44.04 ? 21 ASN D OD1 1 -ATOM 3214 N ND2 . ASN D 4 21 ? -18.677 28.247 21.348 1.00 40.61 ? 21 ASN D ND2 1 -ATOM 3215 N N . CYS D 4 22 ? -13.305 28.751 21.662 1.00 42.58 ? 22 CYS D N 1 -ATOM 3216 C CA . CYS D 4 22 ? -11.926 28.381 21.364 1.00 40.45 ? 22 CYS D CA 1 -ATOM 3217 C C . CYS D 4 22 ? -11.316 27.598 22.537 1.00 40.15 ? 22 CYS D C 1 -ATOM 3218 O O . CYS D 4 22 ? -11.718 27.775 23.688 1.00 41.58 ? 22 CYS D O 1 -ATOM 3219 C CB . CYS D 4 22 ? -11.129 29.663 21.106 1.00 40.59 ? 22 CYS D CB 1 -ATOM 3220 S SG . CYS D 4 22 ? -9.408 29.491 20.535 1.00 41.63 ? 22 CYS D SG 1 -ATOM 3221 N N . ASP D 4 23 ? -10.377 26.707 22.236 1.00 36.98 ? 23 ASP D N 1 -ATOM 3222 C CA . ASP D 4 23 ? -9.694 25.903 23.252 1.00 36.17 ? 23 ASP D CA 1 -ATOM 3223 C C . ASP D 4 23 ? -8.222 25.920 22.885 1.00 36.10 ? 23 ASP D C 1 -ATOM 3224 O O . ASP D 4 23 ? -7.885 26.190 21.734 1.00 36.36 ? 23 ASP D O 1 -ATOM 3225 C CB . ASP D 4 23 ? -10.182 24.450 23.250 1.00 38.04 ? 23 ASP D CB 1 -ATOM 3226 C CG . ASP D 4 23 ? -11.677 24.323 23.500 1.00 48.54 ? 23 ASP D CG 1 -ATOM 3227 O OD1 . ASP D 4 23 ? -12.227 25.064 24.352 1.00 48.42 ? 23 ASP D OD1 1 -ATOM 3228 O OD2 . ASP D 4 23 ? -12.292 23.459 22.840 1.00 48.41 ? 23 ASP D OD2 1 -ATOM 3229 N N . TYR D 4 24 ? -7.351 25.629 23.847 1.00 36.93 ? 24 TYR D N 1 -ATOM 3230 C CA . TYR D 4 24 ? -5.917 25.631 23.595 1.00 37.07 ? 24 TYR D CA 1 -ATOM 3231 C C . TYR D 4 24 ? -5.159 24.545 24.381 1.00 38.86 ? 24 TYR D C 1 -ATOM 3232 O O . TYR D 4 24 ? -5.743 23.858 25.221 1.00 34.79 ? 24 TYR D O 1 -ATOM 3233 C CB . TYR D 4 24 ? -5.352 27.034 23.853 1.00 33.29 ? 24 TYR D CB 1 -ATOM 3234 C CG . TYR D 4 24 ? -5.526 27.576 25.263 1.00 33.50 ? 24 TYR D CG 1 -ATOM 3235 C CD1 . TYR D 4 24 ? -4.546 27.362 26.228 1.00 38.86 ? 24 TYR D CD1 1 -ATOM 3236 C CD2 . TYR D 4 24 ? -6.615 28.367 25.611 1.00 32.44 ? 24 TYR D CD2 1 -ATOM 3237 C CE1 . TYR D 4 24 ? -4.635 27.925 27.506 1.00 40.53 ? 24 TYR D CE1 1 -ATOM 3238 C CE2 . TYR D 4 24 ? -6.715 28.942 26.898 1.00 36.30 ? 24 TYR D CE2 1 -ATOM 3239 C CZ . TYR D 4 24 ? -5.712 28.714 27.838 1.00 36.72 ? 24 TYR D CZ 1 -ATOM 3240 O OH . TYR D 4 24 ? -5.752 29.272 29.102 1.00 27.18 ? 24 TYR D OH 1 -ATOM 3241 N N . THR D 4 25 ? -3.874 24.364 24.079 1.00 41.43 ? 25 THR D N 1 -ATOM 3242 C CA . THR D 4 25 ? -3.072 23.351 24.761 1.00 42.61 ? 25 THR D CA 1 -ATOM 3243 C C . THR D 4 25 ? -2.043 23.827 25.790 1.00 42.12 ? 25 THR D C 1 -ATOM 3244 O O . THR D 4 25 ? -2.283 23.705 26.979 1.00 47.58 ? 25 THR D O 1 -ATOM 3245 C CB . THR D 4 25 ? -2.353 22.377 23.778 1.00 45.92 ? 25 THR D CB 1 -ATOM 3246 O OG1 . THR D 4 25 ? -1.320 23.068 23.048 1.00 48.46 ? 25 THR D OG1 1 -ATOM 3247 C CG2 . THR D 4 25 ? -3.346 21.749 22.821 1.00 46.54 ? 25 THR D CG2 1 -ATOM 3248 N N . ASN D 4 26 ? -0.917 24.391 25.358 1.00 40.32 ? 26 ASN D N 1 -ATOM 3249 C CA . ASN D 4 26 ? 0.117 24.771 26.320 1.00 46.31 ? 26 ASN D CA 1 -ATOM 3250 C C . ASN D 4 26 ? -0.244 25.766 27.419 1.00 51.01 ? 26 ASN D C 1 -ATOM 3251 O O . ASN D 4 26 ? -0.894 26.793 27.176 1.00 50.92 ? 26 ASN D O 1 -ATOM 3252 C CB . ASN D 4 26 ? 1.438 25.169 25.636 1.00 47.16 ? 26 ASN D CB 1 -ATOM 3253 C CG . ASN D 4 26 ? 1.359 26.493 24.920 1.00 46.97 ? 26 ASN D CG 1 -ATOM 3254 O OD1 . ASN D 4 26 ? 0.293 26.927 24.510 1.00 51.25 ? 26 ASN D OD1 1 -ATOM 3255 N ND2 . ASN D 4 26 ? 2.502 27.115 24.718 1.00 41.19 ? 26 ASN D ND2 1 -ATOM 3256 N N . SER D 4 27 ? 0.228 25.439 28.628 1.00 49.13 ? 27 SER D N 1 -ATOM 3257 C CA . SER D 4 27 ? 0.029 26.231 29.839 1.00 43.60 ? 27 SER D CA 1 -ATOM 3258 C C . SER D 4 27 ? 0.978 27.433 29.785 1.00 39.06 ? 27 SER D C 1 -ATOM 3259 O O . SER D 4 27 ? 0.952 28.319 30.642 1.00 38.88 ? 27 SER D O 1 -ATOM 3260 C CB . SER D 4 27 ? 0.346 25.354 31.062 1.00 49.19 ? 27 SER D CB 1 -ATOM 3261 O OG . SER D 4 27 ? -0.714 25.345 32.011 1.00 60.38 ? 27 SER D OG 1 -ATOM 3262 N N . MET D 4 28 ? 1.791 27.448 28.735 1.00 33.94 ? 28 MET D N 1 -ATOM 3263 C CA . MET D 4 28 ? 2.780 28.476 28.471 1.00 31.24 ? 28 MET D CA 1 -ATOM 3264 C C . MET D 4 28 ? 2.221 29.685 27.701 1.00 32.61 ? 28 MET D C 1 -ATOM 3265 O O . MET D 4 28 ? 2.972 30.623 27.408 1.00 34.87 ? 28 MET D O 1 -ATOM 3266 C CB . MET D 4 28 ? 3.916 27.848 27.681 1.00 31.44 ? 28 MET D CB 1 -ATOM 3267 C CG . MET D 4 28 ? 5.289 28.167 28.168 1.00 35.39 ? 28 MET D CG 1 -ATOM 3268 S SD . MET D 4 28 ? 6.469 27.178 27.243 1.00 44.85 ? 28 MET D SD 1 -ATOM 3269 C CE . MET D 4 28 ? 6.004 25.571 27.787 1.00 37.73 ? 28 MET D CE 1 -ATOM 3270 N N . PHE D 4 29 ? 0.934 29.652 27.335 1.00 33.55 ? 29 PHE D N 1 -ATOM 3271 C CA . PHE D 4 29 ? 0.297 30.782 26.634 1.00 34.48 ? 29 PHE D CA 1 -ATOM 3272 C C . PHE D 4 29 ? -0.037 31.825 27.702 1.00 36.28 ? 29 PHE D C 1 -ATOM 3273 O O . PHE D 4 29 ? -0.769 31.521 28.649 1.00 38.45 ? 29 PHE D O 1 -ATOM 3274 C CB . PHE D 4 29 ? -0.988 30.350 25.904 1.00 31.75 ? 29 PHE D CB 1 -ATOM 3275 C CG . PHE D 4 29 ? -0.759 29.795 24.517 1.00 30.09 ? 29 PHE D CG 1 -ATOM 3276 C CD1 . PHE D 4 29 ? 0.428 30.048 23.823 1.00 32.28 ? 29 PHE D CD1 1 -ATOM 3277 C CD2 . PHE D 4 29 ? -1.730 29.008 23.908 1.00 29.14 ? 29 PHE D CD2 1 -ATOM 3278 C CE1 . PHE D 4 29 ? 0.651 29.522 22.545 1.00 28.12 ? 29 PHE D CE1 1 -ATOM 3279 C CE2 . PHE D 4 29 ? -1.520 28.478 22.635 1.00 34.22 ? 29 PHE D CE2 1 -ATOM 3280 C CZ . PHE D 4 29 ? -0.319 28.739 21.952 1.00 31.41 ? 29 PHE D CZ 1 -ATOM 3281 N N . ASP D 4 30 ? 0.476 33.045 27.532 1.00 36.36 ? 30 ASP D N 1 -ATOM 3282 C CA . ASP D 4 30 ? 0.293 34.129 28.505 1.00 34.07 ? 30 ASP D CA 1 -ATOM 3283 C C . ASP D 4 30 ? -0.605 35.312 28.105 1.00 34.13 ? 30 ASP D C 1 -ATOM 3284 O O . ASP D 4 30 ? -0.921 36.173 28.944 1.00 28.06 ? 30 ASP D O 1 -ATOM 3285 C CB . ASP D 4 30 ? 1.676 34.661 28.919 1.00 39.03 ? 30 ASP D CB 1 -ATOM 3286 C CG . ASP D 4 30 ? 2.580 34.986 27.716 1.00 41.69 ? 30 ASP D CG 1 -ATOM 3287 O OD1 . ASP D 4 30 ? 2.072 35.241 26.607 1.00 41.54 ? 30 ASP D OD1 1 -ATOM 3288 O OD2 . ASP D 4 30 ? 3.816 34.988 27.882 1.00 43.10 ? 30 ASP D OD2 1 -ATOM 3289 N N . TYR D 4 31 ? -0.966 35.382 26.824 1.00 31.57 ? 31 TYR D N 1 -ATOM 3290 C CA . TYR D 4 31 ? -1.803 36.453 26.287 1.00 25.76 ? 31 TYR D CA 1 -ATOM 3291 C C . TYR D 4 31 ? -2.773 35.812 25.308 1.00 25.97 ? 31 TYR D C 1 -ATOM 3292 O O . TYR D 4 31 ? -2.398 34.892 24.589 1.00 30.78 ? 31 TYR D O 1 -ATOM 3293 C CB . TYR D 4 31 ? -0.932 37.477 25.561 1.00 26.47 ? 31 TYR D CB 1 -ATOM 3294 C CG . TYR D 4 31 ? -1.606 38.797 25.270 1.00 30.99 ? 31 TYR D CG 1 -ATOM 3295 C CD1 . TYR D 4 31 ? -2.781 39.166 25.925 1.00 35.08 ? 31 TYR D CD1 1 -ATOM 3296 C CD2 . TYR D 4 31 ? -1.059 39.689 24.352 1.00 25.20 ? 31 TYR D CD2 1 -ATOM 3297 C CE1 . TYR D 4 31 ? -3.393 40.389 25.673 1.00 33.40 ? 31 TYR D CE1 1 -ATOM 3298 C CE2 . TYR D 4 31 ? -1.665 40.916 24.093 1.00 32.97 ? 31 TYR D CE2 1 -ATOM 3299 C CZ . TYR D 4 31 ? -2.829 41.258 24.761 1.00 33.31 ? 31 TYR D CZ 1 -ATOM 3300 O OH . TYR D 4 31 ? -3.428 42.472 24.536 1.00 41.67 ? 31 TYR D OH 1 -ATOM 3301 N N . PHE D 4 32 ? -4.021 36.268 25.312 1.00 24.66 ? 32 PHE D N 1 -ATOM 3302 C CA . PHE D 4 32 ? -5.050 35.716 24.446 1.00 23.68 ? 32 PHE D CA 1 -ATOM 3303 C C . PHE D 4 32 ? -5.710 36.838 23.685 1.00 29.41 ? 32 PHE D C 1 -ATOM 3304 O O . PHE D 4 32 ? -5.952 37.924 24.230 1.00 29.04 ? 32 PHE D O 1 -ATOM 3305 C CB . PHE D 4 32 ? -6.058 34.944 25.277 1.00 22.23 ? 32 PHE D CB 1 -ATOM 3306 C CG . PHE D 4 32 ? -5.417 33.953 26.185 1.00 30.18 ? 32 PHE D CG 1 -ATOM 3307 C CD1 . PHE D 4 32 ? -4.971 34.337 27.451 1.00 30.95 ? 32 PHE D CD1 1 -ATOM 3308 C CD2 . PHE D 4 32 ? -5.170 32.661 25.752 1.00 30.07 ? 32 PHE D CD2 1 -ATOM 3309 C CE1 . PHE D 4 32 ? -4.293 33.452 28.267 1.00 25.75 ? 32 PHE D CE1 1 -ATOM 3310 C CE2 . PHE D 4 32 ? -4.493 31.769 26.558 1.00 30.10 ? 32 PHE D CE2 1 -ATOM 3311 C CZ . PHE D 4 32 ? -4.049 32.168 27.818 1.00 30.92 ? 32 PHE D CZ 1 -ATOM 3312 N N . LEU D 4 33 ? -5.973 36.584 22.407 1.00 30.16 ? 33 LEU D N 1 -ATOM 3313 C CA . LEU D 4 33 ? -6.550 37.602 21.555 1.00 26.47 ? 33 LEU D CA 1 -ATOM 3314 C C . LEU D 4 33 ? -7.345 37.051 20.371 1.00 24.50 ? 33 LEU D C 1 -ATOM 3315 O O . LEU D 4 33 ? -7.363 35.838 20.130 1.00 23.19 ? 33 LEU D O 1 -ATOM 3316 C CB . LEU D 4 33 ? -5.433 38.587 21.117 1.00 24.25 ? 33 LEU D CB 1 -ATOM 3317 C CG . LEU D 4 33 ? -4.052 38.214 20.512 1.00 21.29 ? 33 LEU D CG 1 -ATOM 3318 C CD1 . LEU D 4 33 ? -3.196 39.474 20.408 1.00 16.77 ? 33 LEU D CD1 1 -ATOM 3319 C CD2 . LEU D 4 33 ? -3.296 37.169 21.302 1.00 11.48 ? 33 LEU D CD2 1 -ATOM 3320 N N . TRP D 4 34 ? -8.086 37.934 19.711 1.00 22.59 ? 34 TRP D N 1 -ATOM 3321 C CA . TRP D 4 34 ? -8.890 37.562 18.556 1.00 24.80 ? 34 TRP D CA 1 -ATOM 3322 C C . TRP D 4 34 ? -8.631 38.457 17.357 1.00 24.81 ? 34 TRP D C 1 -ATOM 3323 O O . TRP D 4 34 ? -8.474 39.672 17.492 1.00 24.39 ? 34 TRP D O 1 -ATOM 3324 C CB . TRP D 4 34 ? -10.381 37.602 18.882 1.00 25.07 ? 34 TRP D CB 1 -ATOM 3325 C CG . TRP D 4 34 ? -10.874 36.469 19.741 1.00 30.59 ? 34 TRP D CG 1 -ATOM 3326 C CD1 . TRP D 4 34 ? -10.861 36.418 21.097 1.00 33.52 ? 34 TRP D CD1 1 -ATOM 3327 C CD2 . TRP D 4 34 ? -11.505 35.257 19.303 1.00 28.82 ? 34 TRP D CD2 1 -ATOM 3328 N NE1 . TRP D 4 34 ? -11.453 35.260 21.532 1.00 32.74 ? 34 TRP D NE1 1 -ATOM 3329 C CE2 . TRP D 4 34 ? -11.855 34.527 20.457 1.00 28.27 ? 34 TRP D CE2 1 -ATOM 3330 C CE3 . TRP D 4 34 ? -11.810 34.719 18.049 1.00 25.62 ? 34 TRP D CE3 1 -ATOM 3331 C CZ2 . TRP D 4 34 ? -12.496 33.283 20.396 1.00 31.95 ? 34 TRP D CZ2 1 -ATOM 3332 C CZ3 . TRP D 4 34 ? -12.449 33.476 17.991 1.00 26.55 ? 34 TRP D CZ3 1 -ATOM 3333 C CH2 . TRP D 4 34 ? -12.783 32.775 19.157 1.00 28.68 ? 34 TRP D CH2 1 -ATOM 3334 N N . TYR D 4 35 ? -8.598 37.838 16.182 1.00 29.09 ? 35 TYR D N 1 -ATOM 3335 C CA . TYR D 4 35 ? -8.390 38.522 14.909 1.00 26.46 ? 35 TYR D CA 1 -ATOM 3336 C C . TYR D 4 35 ? -9.596 38.257 14.022 1.00 26.80 ? 35 TYR D C 1 -ATOM 3337 O O . TYR D 4 35 ? -10.182 37.171 14.069 1.00 23.49 ? 35 TYR D O 1 -ATOM 3338 C CB . TYR D 4 35 ? -7.131 38.005 14.225 1.00 20.83 ? 35 TYR D CB 1 -ATOM 3339 C CG . TYR D 4 35 ? -5.878 38.735 14.639 1.00 25.12 ? 35 TYR D CG 1 -ATOM 3340 C CD1 . TYR D 4 35 ? -5.240 38.461 15.861 1.00 21.93 ? 35 TYR D CD1 1 -ATOM 3341 C CD2 . TYR D 4 35 ? -5.318 39.695 13.808 1.00 19.54 ? 35 TYR D CD2 1 -ATOM 3342 C CE1 . TYR D 4 35 ? -4.070 39.137 16.231 1.00 17.43 ? 35 TYR D CE1 1 -ATOM 3343 C CE2 . TYR D 4 35 ? -4.156 40.374 14.172 1.00 22.75 ? 35 TYR D CE2 1 -ATOM 3344 C CZ . TYR D 4 35 ? -3.541 40.091 15.375 1.00 19.83 ? 35 TYR D CZ 1 -ATOM 3345 O OH . TYR D 4 35 ? -2.405 40.777 15.700 1.00 18.77 ? 35 TYR D OH 1 -ATOM 3346 N N . LYS D 4 36 ? -9.978 39.269 13.252 1.00 25.54 ? 36 LYS D N 1 -ATOM 3347 C CA . LYS D 4 36 ? -11.113 39.211 12.327 1.00 29.40 ? 36 LYS D CA 1 -ATOM 3348 C C . LYS D 4 36 ? -10.497 39.356 10.937 1.00 32.68 ? 36 LYS D C 1 -ATOM 3349 O O . LYS D 4 36 ? -9.664 40.238 10.730 1.00 32.80 ? 36 LYS D O 1 -ATOM 3350 C CB . LYS D 4 36 ? -12.025 40.395 12.617 1.00 32.44 ? 36 LYS D CB 1 -ATOM 3351 C CG . LYS D 4 36 ? -13.193 40.625 11.689 1.00 28.83 ? 36 LYS D CG 1 -ATOM 3352 C CD . LYS D 4 36 ? -13.889 41.906 12.135 1.00 31.59 ? 36 LYS D CD 1 -ATOM 3353 C CE . LYS D 4 36 ? -15.211 42.103 11.440 1.00 44.52 ? 36 LYS D CE 1 -ATOM 3354 N NZ . LYS D 4 36 ? -16.139 42.962 12.231 1.00 49.20 ? 36 LYS D NZ 1 -ATOM 3355 N N . LYS D 4 37 ? -10.897 38.518 9.985 1.00 33.09 ? 37 LYS D N 1 -ATOM 3356 C CA . LYS D 4 37 ? -10.316 38.579 8.641 1.00 35.00 ? 37 LYS D CA 1 -ATOM 3357 C C . LYS D 4 37 ? -11.325 38.766 7.524 1.00 39.23 ? 37 LYS D C 1 -ATOM 3358 O O . LYS D 4 37 ? -12.230 37.947 7.373 1.00 44.97 ? 37 LYS D O 1 -ATOM 3359 C CB . LYS D 4 37 ? -9.536 37.301 8.370 1.00 33.45 ? 37 LYS D CB 1 -ATOM 3360 C CG . LYS D 4 37 ? -8.950 37.214 6.995 1.00 25.59 ? 37 LYS D CG 1 -ATOM 3361 C CD . LYS D 4 37 ? -8.500 35.804 6.718 1.00 29.09 ? 37 LYS D CD 1 -ATOM 3362 C CE . LYS D 4 37 ? -8.103 35.649 5.270 1.00 25.85 ? 37 LYS D CE 1 -ATOM 3363 N NZ . LYS D 4 37 ? -6.892 36.429 4.970 1.00 29.26 ? 37 LYS D NZ 1 -ATOM 3364 N N . TYR D 4 38 ? -11.178 39.829 6.736 1.00 41.54 ? 38 TYR D N 1 -ATOM 3365 C CA . TYR D 4 38 ? -12.095 40.058 5.617 1.00 45.76 ? 38 TYR D CA 1 -ATOM 3366 C C . TYR D 4 38 ? -11.510 39.400 4.366 1.00 43.78 ? 38 TYR D C 1 -ATOM 3367 O O . TYR D 4 38 ? -10.306 39.165 4.312 1.00 48.49 ? 38 TYR D O 1 -ATOM 3368 C CB . TYR D 4 38 ? -12.299 41.555 5.382 1.00 48.04 ? 38 TYR D CB 1 -ATOM 3369 C CG . TYR D 4 38 ? -13.349 42.193 6.263 1.00 53.28 ? 38 TYR D CG 1 -ATOM 3370 C CD1 . TYR D 4 38 ? -14.488 41.485 6.666 1.00 54.25 ? 38 TYR D CD1 1 -ATOM 3371 C CD2 . TYR D 4 38 ? -13.206 43.510 6.689 1.00 56.36 ? 38 TYR D CD2 1 -ATOM 3372 C CE1 . TYR D 4 38 ? -15.461 42.078 7.474 1.00 56.42 ? 38 TYR D CE1 1 -ATOM 3373 C CE2 . TYR D 4 38 ? -14.167 44.115 7.492 1.00 61.50 ? 38 TYR D CE2 1 -ATOM 3374 C CZ . TYR D 4 38 ? -15.293 43.396 7.885 1.00 60.90 ? 38 TYR D CZ 1 -ATOM 3375 O OH . TYR D 4 38 ? -16.227 44.012 8.693 1.00 60.49 ? 38 TYR D OH 1 -ATOM 3376 N N . PRO D 4 39 ? -12.345 39.073 3.360 1.00 43.05 ? 39 PRO D N 1 -ATOM 3377 C CA . PRO D 4 39 ? -11.873 38.435 2.119 1.00 41.67 ? 39 PRO D CA 1 -ATOM 3378 C C . PRO D 4 39 ? -10.893 39.322 1.355 1.00 38.90 ? 39 PRO D C 1 -ATOM 3379 O O . PRO D 4 39 ? -11.084 40.539 1.284 1.00 34.64 ? 39 PRO D O 1 -ATOM 3380 C CB . PRO D 4 39 ? -13.160 38.245 1.311 1.00 45.55 ? 39 PRO D CB 1 -ATOM 3381 C CG . PRO D 4 39 ? -14.231 38.160 2.352 1.00 45.60 ? 39 PRO D CG 1 -ATOM 3382 C CD . PRO D 4 39 ? -13.810 39.243 3.327 1.00 48.54 ? 39 PRO D CD 1 -ATOM 3383 N N . ALA D 4 40 ? -9.841 38.708 0.812 1.00 39.01 ? 40 ALA D N 1 -ATOM 3384 C CA . ALA D 4 40 ? -8.811 39.414 0.045 1.00 42.46 ? 40 ALA D CA 1 -ATOM 3385 C C . ALA D 4 40 ? -8.005 40.449 0.839 1.00 47.47 ? 40 ALA D C 1 -ATOM 3386 O O . ALA D 4 40 ? -7.362 41.331 0.250 1.00 47.81 ? 40 ALA D O 1 -ATOM 3387 C CB . ALA D 4 40 ? -9.417 40.062 -1.195 1.00 41.45 ? 40 ALA D CB 1 -ATOM 3388 N N . GLU D 4 41 ? -8.017 40.321 2.167 1.00 49.16 ? 41 GLU D N 1 -ATOM 3389 C CA . GLU D 4 41 ? -7.280 41.223 3.068 1.00 44.03 ? 41 GLU D CA 1 -ATOM 3390 C C . GLU D 4 41 ? -6.581 40.434 4.163 1.00 36.36 ? 41 GLU D C 1 -ATOM 3391 O O . GLU D 4 41 ? -6.912 39.269 4.410 1.00 31.40 ? 41 GLU D O 1 -ATOM 3392 C CB . GLU D 4 41 ? -8.218 42.194 3.772 1.00 44.22 ? 41 GLU D CB 1 -ATOM 3393 C CG . GLU D 4 41 ? -9.118 42.991 2.889 1.00 51.65 ? 41 GLU D CG 1 -ATOM 3394 C CD . GLU D 4 41 ? -9.967 43.944 3.687 1.00 56.85 ? 41 GLU D CD 1 -ATOM 3395 O OE1 . GLU D 4 41 ? -9.882 43.906 4.943 1.00 53.33 ? 41 GLU D OE1 1 -ATOM 3396 O OE2 . GLU D 4 41 ? -10.713 44.730 3.054 1.00 60.59 ? 41 GLU D OE2 1 -ATOM 3397 N N . GLY D 4 42 ? -5.666 41.100 4.862 1.00 34.52 ? 42 GLY D N 1 -ATOM 3398 C CA . GLY D 4 42 ? -4.953 40.450 5.948 1.00 35.54 ? 42 GLY D CA 1 -ATOM 3399 C C . GLY D 4 42 ? -5.734 40.504 7.247 1.00 36.85 ? 42 GLY D C 1 -ATOM 3400 O O . GLY D 4 42 ? -6.675 41.298 7.371 1.00 36.14 ? 42 GLY D O 1 -ATOM 3401 N N . PRO D 4 43 ? -5.439 39.609 8.202 1.00 39.05 ? 43 PRO D N 1 -ATOM 3402 C CA . PRO D 4 43 ? -6.141 39.598 9.493 1.00 41.62 ? 43 PRO D CA 1 -ATOM 3403 C C . PRO D 4 43 ? -5.962 40.908 10.314 1.00 41.91 ? 43 PRO D C 1 -ATOM 3404 O O . PRO D 4 43 ? -4.859 41.483 10.371 1.00 40.17 ? 43 PRO D O 1 -ATOM 3405 C CB . PRO D 4 43 ? -5.508 38.398 10.207 1.00 40.21 ? 43 PRO D CB 1 -ATOM 3406 C CG . PRO D 4 43 ? -5.211 37.459 9.084 1.00 40.81 ? 43 PRO D CG 1 -ATOM 3407 C CD . PRO D 4 43 ? -4.618 38.392 8.045 1.00 41.18 ? 43 PRO D CD 1 -ATOM 3408 N N . THR D 4 44 ? -7.053 41.360 10.941 1.00 40.72 ? 44 THR D N 1 -ATOM 3409 C CA . THR D 4 44 ? -7.073 42.574 11.769 1.00 38.07 ? 44 THR D CA 1 -ATOM 3410 C C . THR D 4 44 ? -7.254 42.210 13.248 1.00 33.46 ? 44 THR D C 1 -ATOM 3411 O O . THR D 4 44 ? -8.056 41.323 13.589 1.00 27.47 ? 44 THR D O 1 -ATOM 3412 C CB . THR D 4 44 ? -8.257 43.507 11.394 1.00 39.14 ? 44 THR D CB 1 -ATOM 3413 O OG1 . THR D 4 44 ? -8.322 43.658 9.973 1.00 47.78 ? 44 THR D OG1 1 -ATOM 3414 C CG2 . THR D 4 44 ? -8.085 44.886 12.021 1.00 36.39 ? 44 THR D CG2 1 -ATOM 3415 N N . PHE D 4 45 ? -6.493 42.886 14.109 1.00 29.78 ? 45 PHE D N 1 -ATOM 3416 C CA . PHE D 4 45 ? -6.574 42.682 15.545 1.00 28.55 ? 45 PHE D CA 1 -ATOM 3417 C C . PHE D 4 45 ? -7.983 43.094 15.923 1.00 28.61 ? 45 PHE D C 1 -ATOM 3418 O O . PHE D 4 45 ? -8.428 44.177 15.544 1.00 31.51 ? 45 PHE D O 1 -ATOM 3419 C CB . PHE D 4 45 ? -5.556 43.563 16.274 1.00 36.06 ? 45 PHE D CB 1 -ATOM 3420 C CG . PHE D 4 45 ? -5.712 43.553 17.772 1.00 43.38 ? 45 PHE D CG 1 -ATOM 3421 C CD1 . PHE D 4 45 ? -5.637 42.355 18.485 1.00 43.83 ? 45 PHE D CD1 1 -ATOM 3422 C CD2 . PHE D 4 45 ? -6.001 44.727 18.464 1.00 42.97 ? 45 PHE D CD2 1 -ATOM 3423 C CE1 . PHE D 4 45 ? -5.852 42.328 19.860 1.00 43.74 ? 45 PHE D CE1 1 -ATOM 3424 C CE2 . PHE D 4 45 ? -6.217 44.707 19.835 1.00 43.44 ? 45 PHE D CE2 1 -ATOM 3425 C CZ . PHE D 4 45 ? -6.144 43.504 20.534 1.00 40.13 ? 45 PHE D CZ 1 -ATOM 3426 N N . LEU D 4 46 ? -8.662 42.252 16.694 1.00 28.90 ? 46 LEU D N 1 -ATOM 3427 C CA . LEU D 4 46 ? -10.045 42.502 17.089 1.00 33.46 ? 46 LEU D CA 1 -ATOM 3428 C C . LEU D 4 46 ? -10.283 42.798 18.589 1.00 37.82 ? 46 LEU D C 1 -ATOM 3429 O O . LEU D 4 46 ? -11.105 43.662 18.929 1.00 40.74 ? 46 LEU D O 1 -ATOM 3430 C CB . LEU D 4 46 ? -10.885 41.304 16.631 1.00 28.93 ? 46 LEU D CB 1 -ATOM 3431 C CG . LEU D 4 46 ? -12.415 41.226 16.633 1.00 32.85 ? 46 LEU D CG 1 -ATOM 3432 C CD1 . LEU D 4 46 ? -12.910 40.394 17.796 1.00 29.34 ? 46 LEU D CD1 1 -ATOM 3433 C CD2 . LEU D 4 46 ? -13.032 42.608 16.609 1.00 37.94 ? 46 LEU D CD2 1 -ATOM 3434 N N . ILE D 4 47 ? -9.553 42.118 19.478 1.00 38.07 ? 47 ILE D N 1 -ATOM 3435 C CA . ILE D 4 47 ? -9.738 42.292 20.924 1.00 34.72 ? 47 ILE D CA 1 -ATOM 3436 C C . ILE D 4 47 ? -8.822 41.334 21.704 1.00 38.26 ? 47 ILE D C 1 -ATOM 3437 O O . ILE D 4 47 ? -8.484 40.264 21.196 1.00 41.19 ? 47 ILE D O 1 -ATOM 3438 C CB . ILE D 4 47 ? -11.222 42.013 21.287 1.00 28.69 ? 47 ILE D CB 1 -ATOM 3439 C CG1 . ILE D 4 47 ? -11.570 42.556 22.668 1.00 21.46 ? 47 ILE D CG1 1 -ATOM 3440 C CG2 . ILE D 4 47 ? -11.527 40.533 21.170 1.00 33.16 ? 47 ILE D CG2 1 -ATOM 3441 C CD1 . ILE D 4 47 ? -13.037 42.468 22.975 1.00 14.19 ? 47 ILE D CD1 1 -ATOM 3442 N N . SER D 4 48 ? -8.409 41.717 22.918 1.00 42.79 ? 48 SER D N 1 -ATOM 3443 C CA . SER D 4 48 ? -7.534 40.864 23.740 1.00 37.54 ? 48 SER D CA 1 -ATOM 3444 C C . SER D 4 48 ? -8.050 40.608 25.162 1.00 35.03 ? 48 SER D C 1 -ATOM 3445 O O . SER D 4 48 ? -9.114 41.089 25.547 1.00 32.98 ? 48 SER D O 1 -ATOM 3446 C CB . SER D 4 48 ? -6.112 41.437 23.788 1.00 37.05 ? 48 SER D CB 1 -ATOM 3447 O OG . SER D 4 48 ? -6.077 42.738 24.357 1.00 39.12 ? 48 SER D OG 1 -ATOM 3448 N N . ILE D 4 49 ? -7.312 39.794 25.913 1.00 36.68 ? 49 ILE D N 1 -ATOM 3449 C CA . ILE D 4 49 ? -7.657 39.459 27.293 1.00 26.66 ? 49 ILE D CA 1 -ATOM 3450 C C . ILE D 4 49 ? -6.398 38.958 28.013 1.00 34.13 ? 49 ILE D C 1 -ATOM 3451 O O . ILE D 4 49 ? -5.661 38.103 27.485 1.00 28.15 ? 49 ILE D O 1 -ATOM 3452 C CB . ILE D 4 49 ? -8.818 38.410 27.356 1.00 18.57 ? 49 ILE D CB 1 -ATOM 3453 C CG1 . ILE D 4 49 ? -9.469 38.435 28.734 1.00 27.40 ? 49 ILE D CG1 1 -ATOM 3454 C CG2 . ILE D 4 49 ? -8.335 37.007 27.060 1.00 8.92 ? 49 ILE D CG2 1 -ATOM 3455 C CD1 . ILE D 4 49 ? -10.729 37.599 28.832 1.00 35.45 ? 49 ILE D CD1 1 -ATOM 3456 N N . SER D 4 50 ? -6.107 39.557 29.175 1.00 40.43 ? 50 SER D N 1 -ATOM 3457 C CA . SER D 4 50 ? -4.937 39.190 29.967 1.00 36.42 ? 50 SER D CA 1 -ATOM 3458 C C . SER D 4 50 ? -5.129 37.876 30.651 1.00 39.31 ? 50 SER D C 1 -ATOM 3459 O O . SER D 4 50 ? -6.240 37.528 31.024 1.00 40.37 ? 50 SER D O 1 -ATOM 3460 C CB . SER D 4 50 ? -4.629 40.241 31.014 1.00 36.92 ? 50 SER D CB 1 -ATOM 3461 O OG . SER D 4 50 ? -3.443 40.925 30.648 1.00 44.20 ? 50 SER D OG 1 -ATOM 3462 N N . SER D 4 51 ? -4.029 37.179 30.884 1.00 43.87 ? 51 SER D N 1 -ATOM 3463 C CA . SER D 4 51 ? -4.077 35.874 31.530 1.00 51.38 ? 51 SER D CA 1 -ATOM 3464 C C . SER D 4 51 ? -4.870 35.818 32.845 1.00 52.50 ? 51 SER D C 1 -ATOM 3465 O O . SER D 4 51 ? -5.413 34.779 33.190 1.00 54.53 ? 51 SER D O 1 -ATOM 3466 C CB . SER D 4 51 ? -2.652 35.326 31.747 1.00 54.43 ? 51 SER D CB 1 -ATOM 3467 O OG . SER D 4 51 ? -1.846 36.184 32.547 1.00 62.01 ? 51 SER D OG 1 -ATOM 3468 N N . ILE D 4 52 ? -5.024 36.945 33.529 1.00 49.90 ? 52 ILE D N 1 -ATOM 3469 C CA . ILE D 4 52 ? -5.721 36.927 34.818 1.00 46.59 ? 52 ILE D CA 1 -ATOM 3470 C C . ILE D 4 52 ? -7.191 37.305 34.861 1.00 47.95 ? 52 ILE D C 1 -ATOM 3471 O O . ILE D 4 52 ? -7.896 36.936 35.802 1.00 51.34 ? 52 ILE D O 1 -ATOM 3472 C CB . ILE D 4 52 ? -4.979 37.771 35.851 1.00 39.86 ? 52 ILE D CB 1 -ATOM 3473 C CG1 . ILE D 4 52 ? -4.813 39.191 35.311 1.00 39.44 ? 52 ILE D CG1 1 -ATOM 3474 C CG2 . ILE D 4 52 ? -3.650 37.110 36.205 1.00 33.47 ? 52 ILE D CG2 1 -ATOM 3475 C CD1 . ILE D 4 52 ? -4.145 40.151 36.251 1.00 36.84 ? 52 ILE D CD1 1 -ATOM 3476 N N . LYS D 4 53 ? -7.647 38.061 33.871 1.00 48.96 ? 53 LYS D N 1 -ATOM 3477 C CA . LYS D 4 53 ? -9.039 38.485 33.831 1.00 48.96 ? 53 LYS D CA 1 -ATOM 3478 C C . LYS D 4 53 ? -9.951 37.374 33.343 1.00 49.42 ? 53 LYS D C 1 -ATOM 3479 O O . LYS D 4 53 ? -9.487 36.342 32.865 1.00 50.31 ? 53 LYS D O 1 -ATOM 3480 C CB . LYS D 4 53 ? -9.188 39.711 32.962 1.00 49.40 ? 53 LYS D CB 1 -ATOM 3481 N N . ASP D 4 54 ? -11.247 37.547 33.563 1.00 50.85 ? 54 ASP D N 1 -ATOM 3482 C CA . ASP D 4 54 ? -12.205 36.560 33.111 1.00 52.70 ? 54 ASP D CA 1 -ATOM 3483 C C . ASP D 4 54 ? -12.947 37.037 31.868 1.00 53.84 ? 54 ASP D C 1 -ATOM 3484 O O . ASP D 4 54 ? -13.073 36.300 30.893 1.00 56.20 ? 54 ASP D O 1 -ATOM 3485 C CB . ASP D 4 54 ? -13.172 36.206 34.233 1.00 61.51 ? 54 ASP D CB 1 -ATOM 3486 C CG . ASP D 4 54 ? -12.569 35.228 35.230 1.00 70.73 ? 54 ASP D CG 1 -ATOM 3487 O OD1 . ASP D 4 54 ? -12.278 34.080 34.834 1.00 74.85 ? 54 ASP D OD1 1 -ATOM 3488 O OD2 . ASP D 4 54 ? -12.380 35.596 36.412 1.00 77.11 ? 54 ASP D OD2 1 -ATOM 3489 N N . LYS D 4 55 A -13.434 38.269 31.897 1.00 48.71 ? 54 LYS D N 1 -ATOM 3490 C CA . LYS D 4 55 A -14.139 38.813 30.752 1.00 44.59 ? 54 LYS D CA 1 -ATOM 3491 C C . LYS D 4 55 A -13.515 40.149 30.351 1.00 46.70 ? 54 LYS D C 1 -ATOM 3492 O O . LYS D 4 55 A -12.800 40.767 31.140 1.00 47.77 ? 54 LYS D O 1 -ATOM 3493 C CB . LYS D 4 55 A -15.613 38.992 31.079 1.00 41.68 ? 54 LYS D CB 1 -ATOM 3494 N N . ASN D 4 56 ? -13.714 40.540 29.097 1.00 46.28 ? 55 ASN D N 1 -ATOM 3495 C CA . ASN D 4 56 ? -13.222 41.813 28.587 1.00 45.23 ? 55 ASN D CA 1 -ATOM 3496 C C . ASN D 4 56 ? -14.121 42.257 27.442 1.00 48.80 ? 55 ASN D C 1 -ATOM 3497 O O . ASN D 4 56 ? -14.509 41.445 26.606 1.00 46.59 ? 55 ASN D O 1 -ATOM 3498 C CB . ASN D 4 56 ? -11.787 41.720 28.093 1.00 43.35 ? 55 ASN D CB 1 -ATOM 3499 C CG . ASN D 4 56 ? -11.258 43.066 27.640 1.00 42.02 ? 55 ASN D CG 1 -ATOM 3500 O OD1 . ASN D 4 56 ? -10.463 43.157 26.719 1.00 45.68 ? 55 ASN D OD1 1 -ATOM 3501 N ND2 . ASN D 4 56 ? -11.712 44.127 28.291 1.00 41.91 ? 55 ASN D ND2 1 -ATOM 3502 N N . ALA D 4 57 ? -14.412 43.549 27.357 1.00 51.40 ? 56 ALA D N 1 -ATOM 3503 C CA . ALA D 4 57 ? -15.310 43.998 26.304 1.00 57.69 ? 56 ALA D CA 1 -ATOM 3504 C C . ALA D 4 57 ? -15.094 45.384 25.708 1.00 60.49 ? 56 ALA D C 1 -ATOM 3505 O O . ALA D 4 57 ? -14.974 46.371 26.436 1.00 62.33 ? 56 ALA D O 1 -ATOM 3506 C CB . ALA D 4 57 ? -16.756 43.863 26.786 1.00 54.86 ? 56 ALA D CB 1 -ATOM 3507 N N . ASP D 4 58 ? -14.970 45.434 24.384 1.00 63.97 ? 57 ASP D N 1 -ATOM 3508 C CA . ASP D 4 58 ? -14.849 46.694 23.663 1.00 70.20 ? 57 ASP D CA 1 -ATOM 3509 C C . ASP D 4 58 ? -16.081 46.708 22.762 1.00 70.91 ? 57 ASP D C 1 -ATOM 3510 O O . ASP D 4 58 ? -16.219 45.866 21.871 1.00 73.30 ? 57 ASP D O 1 -ATOM 3511 C CB . ASP D 4 58 ? -13.560 46.784 22.818 1.00 80.39 ? 57 ASP D CB 1 -ATOM 3512 C CG . ASP D 4 58 ? -13.398 48.155 22.106 1.00 87.15 ? 57 ASP D CG 1 -ATOM 3513 O OD1 . ASP D 4 58 ? -14.375 48.953 22.066 1.00 89.92 ? 57 ASP D OD1 1 -ATOM 3514 O OD2 . ASP D 4 58 ? -12.284 48.446 21.576 1.00 88.97 ? 57 ASP D OD2 1 -ATOM 3515 N N . GLY D 4 59 ? -17.011 47.602 23.086 1.00 69.23 ? 58 GLY D N 1 -ATOM 3516 C CA . GLY D 4 59 ? -18.247 47.782 22.336 1.00 68.92 ? 58 GLY D CA 1 -ATOM 3517 C C . GLY D 4 59 ? -18.739 46.703 21.387 1.00 66.79 ? 58 GLY D C 1 -ATOM 3518 O O . GLY D 4 59 ? -18.355 46.686 20.207 1.00 66.14 ? 58 GLY D O 1 -ATOM 3519 N N . ARG D 4 60 ? -19.636 45.860 21.901 1.00 61.06 ? 61 ARG D N 1 -ATOM 3520 C CA . ARG D 4 60 ? -20.257 44.753 21.167 1.00 57.51 ? 61 ARG D CA 1 -ATOM 3521 C C . ARG D 4 60 ? -19.472 43.455 21.280 1.00 55.42 ? 61 ARG D C 1 -ATOM 3522 O O . ARG D 4 60 ? -20.035 42.369 21.147 1.00 54.27 ? 61 ARG D O 1 -ATOM 3523 C CB . ARG D 4 60 ? -20.501 45.102 19.684 1.00 57.09 ? 61 ARG D CB 1 -ATOM 3524 C CG . ARG D 4 60 ? -21.948 45.431 19.335 1.00 56.36 ? 61 ARG D CG 1 -ATOM 3525 C CD . ARG D 4 60 ? -22.109 45.982 17.926 1.00 60.27 ? 61 ARG D CD 1 -ATOM 3526 N NE . ARG D 4 60 ? -21.585 45.095 16.885 1.00 67.61 ? 61 ARG D NE 1 -ATOM 3527 C CZ . ARG D 4 60 ? -20.894 45.517 15.827 1.00 70.60 ? 61 ARG D CZ 1 -ATOM 3528 N NH1 . ARG D 4 60 ? -20.640 46.811 15.663 1.00 75.51 ? 61 ARG D NH1 1 -ATOM 3529 N NH2 . ARG D 4 60 ? -20.433 44.647 14.940 1.00 69.90 ? 61 ARG D NH2 1 -ATOM 3530 N N . PHE D 4 61 ? -18.173 43.563 21.525 1.00 53.90 ? 62 PHE D N 1 -ATOM 3531 C CA . PHE D 4 61 ? -17.336 42.380 21.643 1.00 55.30 ? 62 PHE D CA 1 -ATOM 3532 C C . PHE D 4 61 ? -16.995 42.113 23.086 1.00 53.84 ? 62 PHE D C 1 -ATOM 3533 O O . PHE D 4 61 ? -16.602 43.018 23.824 1.00 56.69 ? 62 PHE D O 1 -ATOM 3534 C CB . PHE D 4 61 ? -16.058 42.540 20.806 1.00 56.98 ? 62 PHE D CB 1 -ATOM 3535 C CG . PHE D 4 61 ? -16.333 42.819 19.360 1.00 53.84 ? 62 PHE D CG 1 -ATOM 3536 C CD1 . PHE D 4 61 ? -16.703 41.784 18.500 1.00 52.36 ? 62 PHE D CD1 1 -ATOM 3537 C CD2 . PHE D 4 61 ? -16.326 44.121 18.884 1.00 51.69 ? 62 PHE D CD2 1 -ATOM 3538 C CE1 . PHE D 4 61 ? -17.075 42.038 17.200 1.00 48.89 ? 62 PHE D CE1 1 -ATOM 3539 C CE2 . PHE D 4 61 ? -16.698 44.388 17.585 1.00 54.05 ? 62 PHE D CE2 1 -ATOM 3540 C CZ . PHE D 4 61 ? -17.077 43.341 16.737 1.00 53.46 ? 62 PHE D CZ 1 -ATOM 3541 N N . THR D 4 62 ? -17.161 40.868 23.494 1.00 50.06 ? 63 THR D N 1 -ATOM 3542 C CA . THR D 4 62 ? -16.862 40.499 24.860 1.00 45.79 ? 63 THR D CA 1 -ATOM 3543 C C . THR D 4 62 ? -16.072 39.210 24.790 1.00 43.70 ? 63 THR D C 1 -ATOM 3544 O O . THR D 4 62 ? -16.504 38.252 24.137 1.00 45.85 ? 63 THR D O 1 -ATOM 3545 C CB . THR D 4 62 ? -18.151 40.240 25.645 1.00 48.12 ? 63 THR D CB 1 -ATOM 3546 O OG1 . THR D 4 62 ? -19.143 41.226 25.308 1.00 50.07 ? 63 THR D OG1 1 -ATOM 3547 C CG2 . THR D 4 62 ? -17.866 40.286 27.117 1.00 44.35 ? 63 THR D CG2 1 -ATOM 3548 N N . VAL D 4 63 ? -14.896 39.190 25.405 1.00 42.94 ? 64 VAL D N 1 -ATOM 3549 C CA . VAL D 4 63 ? -14.068 37.995 25.407 1.00 43.28 ? 64 VAL D CA 1 -ATOM 3550 C C . VAL D 4 63 ? -14.117 37.331 26.770 1.00 43.99 ? 64 VAL D C 1 -ATOM 3551 O O . VAL D 4 63 ? -14.091 38.000 27.802 1.00 43.37 ? 64 VAL D O 1 -ATOM 3552 C CB . VAL D 4 63 ? -12.607 38.290 25.093 1.00 38.63 ? 64 VAL D CB 1 -ATOM 3553 C CG1 . VAL D 4 63 ? -11.884 36.991 24.789 1.00 38.23 ? 64 VAL D CG1 1 -ATOM 3554 C CG2 . VAL D 4 63 ? -12.506 39.222 23.941 1.00 43.10 ? 64 VAL D CG2 1 -ATOM 3555 N N . PHE D 4 64 ? -14.186 36.010 26.768 1.00 45.43 ? 65 PHE D N 1 -ATOM 3556 C CA . PHE D 4 64 ? -14.240 35.261 27.998 1.00 47.05 ? 65 PHE D CA 1 -ATOM 3557 C C . PHE D 4 64 ? -13.121 34.247 28.048 1.00 48.57 ? 65 PHE D C 1 -ATOM 3558 O O . PHE D 4 64 ? -12.927 33.470 27.103 1.00 49.54 ? 65 PHE D O 1 -ATOM 3559 C CB . PHE D 4 64 ? -15.596 34.572 28.127 1.00 52.96 ? 65 PHE D CB 1 -ATOM 3560 C CG . PHE D 4 64 ? -16.755 35.532 28.181 1.00 59.30 ? 65 PHE D CG 1 -ATOM 3561 C CD1 . PHE D 4 64 ? -17.046 36.224 29.354 1.00 60.65 ? 65 PHE D CD1 1 -ATOM 3562 C CD2 . PHE D 4 64 ? -17.540 35.768 27.050 1.00 59.42 ? 65 PHE D CD2 1 -ATOM 3563 C CE1 . PHE D 4 64 ? -18.103 37.139 29.398 1.00 62.89 ? 65 PHE D CE1 1 -ATOM 3564 C CE2 . PHE D 4 64 ? -18.600 36.682 27.085 1.00 55.18 ? 65 PHE D CE2 1 -ATOM 3565 C CZ . PHE D 4 64 ? -18.880 37.366 28.256 1.00 59.78 ? 65 PHE D CZ 1 -ATOM 3566 N N . LEU D 4 65 ? -12.331 34.336 29.114 1.00 44.66 ? 66 LEU D N 1 -ATOM 3567 C CA . LEU D 4 65 ? -11.223 33.420 29.360 1.00 39.85 ? 66 LEU D CA 1 -ATOM 3568 C C . LEU D 4 65 ? -11.655 32.560 30.542 1.00 41.62 ? 66 LEU D C 1 -ATOM 3569 O O . LEU D 4 65 ? -12.425 32.996 31.395 1.00 44.17 ? 66 LEU D O 1 -ATOM 3570 C CB . LEU D 4 65 ? -9.931 34.183 29.705 1.00 28.23 ? 66 LEU D CB 1 -ATOM 3571 C CG . LEU D 4 65 ? -8.673 33.354 29.964 1.00 23.66 ? 66 LEU D CG 1 -ATOM 3572 C CD1 . LEU D 4 65 ? -8.464 32.370 28.828 1.00 29.91 ? 66 LEU D CD1 1 -ATOM 3573 C CD2 . LEU D 4 65 ? -7.465 34.246 30.134 1.00 18.40 ? 66 LEU D CD2 1 -ATOM 3574 N N . ASN D 4 66 ? -11.202 31.318 30.547 1.00 41.22 ? 67 ASN D N 1 -ATOM 3575 C CA . ASN D 4 66 ? -11.525 30.381 31.604 1.00 38.15 ? 67 ASN D CA 1 -ATOM 3576 C C . ASN D 4 66 ? -10.382 29.409 31.599 1.00 37.79 ? 67 ASN D C 1 -ATOM 3577 O O . ASN D 4 66 ? -10.488 28.303 31.070 1.00 39.32 ? 67 ASN D O 1 -ATOM 3578 C CB . ASN D 4 66 ? -12.836 29.665 31.267 1.00 43.92 ? 67 ASN D CB 1 -ATOM 3579 C CG . ASN D 4 66 ? -13.246 28.665 32.328 1.00 50.58 ? 67 ASN D CG 1 -ATOM 3580 O OD1 . ASN D 4 66 ? -13.825 29.021 33.347 1.00 58.70 ? 67 ASN D OD1 1 -ATOM 3581 N ND2 . ASN D 4 66 ? -12.969 27.402 32.079 1.00 55.99 ? 67 ASN D ND2 1 -ATOM 3582 N N . LYS D 4 67 ? -9.259 29.870 32.132 1.00 40.79 ? 68 LYS D N 1 -ATOM 3583 C CA . LYS D 4 67 ? -8.030 29.093 32.173 1.00 45.94 ? 68 LYS D CA 1 -ATOM 3584 C C . LYS D 4 67 ? -8.162 27.679 32.713 1.00 49.81 ? 68 LYS D C 1 -ATOM 3585 O O . LYS D 4 67 ? -7.409 26.790 32.308 1.00 51.71 ? 68 LYS D O 1 -ATOM 3586 C CB . LYS D 4 67 ? -6.970 29.831 32.970 1.00 43.21 ? 68 LYS D CB 1 -ATOM 3587 C CG . LYS D 4 67 ? -6.915 31.310 32.614 1.00 49.16 ? 68 LYS D CG 1 -ATOM 3588 C CD . LYS D 4 67 ? -5.973 32.067 33.566 1.00 55.31 ? 68 LYS D CD 1 -ATOM 3589 C CE . LYS D 4 67 ? -4.507 32.014 33.090 1.00 62.17 ? 68 LYS D CE 1 -ATOM 3590 N NZ . LYS D 4 67 ? -3.603 32.828 34.012 1.00 64.45 ? 68 LYS D NZ 1 -ATOM 3591 N N . SER D 4 68 ? -9.068 27.486 33.661 1.00 51.57 ? 69 SER D N 1 -ATOM 3592 C CA . SER D 4 68 ? -9.249 26.157 34.219 1.00 55.27 ? 69 SER D CA 1 -ATOM 3593 C C . SER D 4 68 ? -9.580 25.176 33.118 1.00 56.52 ? 69 SER D C 1 -ATOM 3594 O O . SER D 4 68 ? -9.115 24.039 33.134 1.00 57.97 ? 69 SER D O 1 -ATOM 3595 C CB . SER D 4 68 ? -10.342 26.136 35.281 1.00 62.30 ? 69 SER D CB 1 -ATOM 3596 O OG . SER D 4 68 ? -9.771 25.888 36.551 1.00 77.25 ? 69 SER D OG 1 -ATOM 3597 N N . ALA D 4 69 ? -10.401 25.626 32.170 1.00 60.24 ? 70 ALA D N 1 -ATOM 3598 C CA . ALA D 4 69 ? -10.792 24.793 31.034 1.00 59.86 ? 70 ALA D CA 1 -ATOM 3599 C C . ALA D 4 69 ? -9.972 25.081 29.780 1.00 57.38 ? 70 ALA D C 1 -ATOM 3600 O O . ALA D 4 69 ? -10.166 24.432 28.758 1.00 63.83 ? 70 ALA D O 1 -ATOM 3601 C CB . ALA D 4 69 ? -12.287 24.937 30.738 1.00 62.96 ? 70 ALA D CB 1 -ATOM 3602 N N . LYS D 4 70 ? -9.070 26.059 29.842 1.00 50.02 ? 71 LYS D N 1 -ATOM 3603 C CA . LYS D 4 70 ? -8.243 26.405 28.681 1.00 50.29 ? 71 LYS D CA 1 -ATOM 3604 C C . LYS D 4 70 ? -9.179 26.630 27.484 1.00 52.35 ? 71 LYS D C 1 -ATOM 3605 O O . LYS D 4 70 ? -9.034 26.011 26.423 1.00 51.55 ? 71 LYS D O 1 -ATOM 3606 C CB . LYS D 4 70 ? -7.236 25.287 28.381 1.00 46.85 ? 71 LYS D CB 1 -ATOM 3607 N N . HIS D 4 71 ? -10.139 27.533 27.674 1.00 51.95 ? 72 HIS D N 1 -ATOM 3608 C CA . HIS D 4 71 ? -11.134 27.847 26.664 1.00 49.52 ? 72 HIS D CA 1 -ATOM 3609 C C . HIS D 4 71 ? -11.383 29.350 26.638 1.00 48.87 ? 72 HIS D C 1 -ATOM 3610 O O . HIS D 4 71 ? -11.594 29.959 27.680 1.00 47.59 ? 72 HIS D O 1 -ATOM 3611 C CB . HIS D 4 71 ? -12.419 27.059 26.981 1.00 52.82 ? 72 HIS D CB 1 -ATOM 3612 C CG . HIS D 4 71 ? -13.679 27.615 26.389 1.00 57.95 ? 72 HIS D CG 1 -ATOM 3613 N ND1 . HIS D 4 71 ? -14.214 28.823 26.751 1.00 63.23 ? 72 HIS D ND1 1 -ATOM 3614 C CD2 . HIS D 4 71 ? -14.550 27.065 25.509 1.00 59.03 ? 72 HIS D CD2 1 -ATOM 3615 C CE1 . HIS D 4 71 ? -15.373 29.019 26.126 1.00 60.77 ? 72 HIS D CE1 1 -ATOM 3616 N NE2 . HIS D 4 71 ? -15.595 27.956 25.366 1.00 62.56 ? 72 HIS D NE2 1 -ATOM 3617 N N . LEU D 4 72 ? -11.326 29.930 25.444 1.00 49.06 ? 73 LEU D N 1 -ATOM 3618 C CA . LEU D 4 72 ? -11.555 31.357 25.247 1.00 44.43 ? 73 LEU D CA 1 -ATOM 3619 C C . LEU D 4 72 ? -12.797 31.519 24.367 1.00 43.11 ? 73 LEU D C 1 -ATOM 3620 O O . LEU D 4 72 ? -13.129 30.625 23.585 1.00 39.92 ? 73 LEU D O 1 -ATOM 3621 C CB . LEU D 4 72 ? -10.341 31.989 24.577 1.00 42.01 ? 73 LEU D CB 1 -ATOM 3622 C CG . LEU D 4 72 ? -10.233 33.510 24.572 1.00 44.81 ? 73 LEU D CG 1 -ATOM 3623 C CD1 . LEU D 4 72 ? -10.012 34.035 25.965 1.00 45.77 ? 73 LEU D CD1 1 -ATOM 3624 C CD2 . LEU D 4 72 ? -9.079 33.904 23.693 1.00 53.55 ? 73 LEU D CD2 1 -ATOM 3625 N N . SER D 4 73 ? -13.485 32.648 24.487 1.00 40.95 ? 74 SER D N 1 -ATOM 3626 C CA . SER D 4 73 ? -14.684 32.867 23.700 1.00 35.24 ? 74 SER D CA 1 -ATOM 3627 C C . SER D 4 73 ? -14.892 34.322 23.328 1.00 31.31 ? 74 SER D C 1 -ATOM 3628 O O . SER D 4 73 ? -14.294 35.223 23.923 1.00 25.58 ? 74 SER D O 1 -ATOM 3629 C CB . SER D 4 73 ? -15.905 32.342 24.450 1.00 42.74 ? 74 SER D CB 1 -ATOM 3630 O OG . SER D 4 73 ? -17.077 32.434 23.649 1.00 50.84 ? 74 SER D OG 1 -ATOM 3631 N N . LEU D 4 74 ? -15.768 34.538 22.354 1.00 29.49 ? 75 LEU D N 1 -ATOM 3632 C CA . LEU D 4 74 ? -16.073 35.870 21.869 1.00 32.13 ? 75 LEU D CA 1 -ATOM 3633 C C . LEU D 4 74 ? -17.546 35.992 21.629 1.00 29.90 ? 75 LEU D C 1 -ATOM 3634 O O . LEU D 4 74 ? -18.110 35.222 20.855 1.00 34.46 ? 75 LEU D O 1 -ATOM 3635 C CB . LEU D 4 74 ? -15.365 36.126 20.535 1.00 37.36 ? 75 LEU D CB 1 -ATOM 3636 C CG . LEU D 4 74 ? -15.590 37.503 19.890 1.00 38.64 ? 75 LEU D CG 1 -ATOM 3637 C CD1 . LEU D 4 74 ? -15.049 38.608 20.812 1.00 33.44 ? 75 LEU D CD1 1 -ATOM 3638 C CD2 . LEU D 4 74 ? -14.925 37.555 18.513 1.00 34.51 ? 75 LEU D CD2 1 -ATOM 3639 N N . HIS D 4 75 ? -18.172 36.964 22.277 1.00 28.79 ? 76 HIS D N 1 -ATOM 3640 C CA . HIS D 4 75 ? -19.593 37.190 22.074 1.00 31.48 ? 76 HIS D CA 1 -ATOM 3641 C C . HIS D 4 75 ? -19.777 38.494 21.321 1.00 34.08 ? 76 HIS D C 1 -ATOM 3642 O O . HIS D 4 75 ? -19.195 39.523 21.703 1.00 30.56 ? 76 HIS D O 1 -ATOM 3643 C CB . HIS D 4 75 ? -20.355 37.262 23.395 1.00 33.31 ? 76 HIS D CB 1 -ATOM 3644 C CG . HIS D 4 75 ? -20.386 35.963 24.142 1.00 38.93 ? 76 HIS D CG 1 -ATOM 3645 N ND1 . HIS D 4 75 ? -21.518 35.492 24.767 1.00 38.27 ? 76 HIS D ND1 1 -ATOM 3646 C CD2 . HIS D 4 75 ? -19.407 35.071 24.402 1.00 42.97 ? 76 HIS D CD2 1 -ATOM 3647 C CE1 . HIS D 4 75 ? -21.229 34.365 25.395 1.00 39.54 ? 76 HIS D CE1 1 -ATOM 3648 N NE2 . HIS D 4 75 ? -19.959 34.083 25.193 1.00 39.25 ? 76 HIS D NE2 1 -ATOM 3649 N N . ILE D 4 76 ? -20.450 38.405 20.173 1.00 36.29 ? 77 ILE D N 1 -ATOM 3650 C CA . ILE D 4 76 ? -20.765 39.571 19.361 1.00 34.69 ? 77 ILE D CA 1 -ATOM 3651 C C . ILE D 4 76 ? -22.263 39.771 19.492 1.00 40.18 ? 77 ILE D C 1 -ATOM 3652 O O . ILE D 4 76 ? -23.071 38.911 19.118 1.00 36.87 ? 77 ILE D O 1 -ATOM 3653 C CB . ILE D 4 76 ? -20.408 39.415 17.870 1.00 30.42 ? 77 ILE D CB 1 -ATOM 3654 C CG1 . ILE D 4 76 ? -18.914 39.122 17.713 1.00 26.25 ? 77 ILE D CG1 1 -ATOM 3655 C CG2 . ILE D 4 76 ? -20.770 40.699 17.133 1.00 23.21 ? 77 ILE D CG2 1 -ATOM 3656 C CD1 . ILE D 4 76 ? -18.462 38.951 16.297 1.00 25.87 ? 77 ILE D CD1 1 -ATOM 3657 N N . VAL D 4 77 ? -22.601 40.837 20.202 1.00 48.29 ? 78 VAL D N 1 -ATOM 3658 C CA . VAL D 4 77 ? -23.973 41.243 20.448 1.00 51.95 ? 78 VAL D CA 1 -ATOM 3659 C C . VAL D 4 77 ? -23.961 42.755 20.407 1.00 53.22 ? 78 VAL D C 1 -ATOM 3660 O O . VAL D 4 77 ? -23.146 43.396 21.071 1.00 55.44 ? 78 VAL D O 1 -ATOM 3661 C CB . VAL D 4 77 ? -24.431 40.886 21.873 1.00 53.28 ? 78 VAL D CB 1 -ATOM 3662 C CG1 . VAL D 4 77 ? -25.943 40.970 21.962 1.00 56.52 ? 78 VAL D CG1 1 -ATOM 3663 C CG2 . VAL D 4 77 ? -23.900 39.542 22.302 1.00 53.56 ? 78 VAL D CG2 1 -ATOM 3664 N N . PRO D 4 78 ? -24.777 43.380 19.538 1.00 54.35 ? 79 PRO D N 1 -ATOM 3665 C CA . PRO D 4 78 ? -25.689 42.670 18.618 1.00 54.80 ? 79 PRO D CA 1 -ATOM 3666 C C . PRO D 4 78 ? -24.953 42.476 17.295 1.00 55.09 ? 79 PRO D C 1 -ATOM 3667 O O . PRO D 4 78 ? -24.176 43.332 16.861 1.00 56.57 ? 79 PRO D O 1 -ATOM 3668 C CB . PRO D 4 78 ? -26.823 43.680 18.485 1.00 53.54 ? 79 PRO D CB 1 -ATOM 3669 C CG . PRO D 4 78 ? -26.097 45.010 18.536 1.00 55.65 ? 79 PRO D CG 1 -ATOM 3670 C CD . PRO D 4 78 ? -25.122 44.790 19.666 1.00 54.93 ? 79 PRO D CD 1 -ATOM 3671 N N . SER D 4 79 ? -25.130 41.323 16.660 1.00 52.92 ? 80 SER D N 1 -ATOM 3672 C CA . SER D 4 79 ? -24.427 41.145 15.412 1.00 59.23 ? 80 SER D CA 1 -ATOM 3673 C C . SER D 4 79 ? -25.059 41.854 14.197 1.00 60.57 ? 80 SER D C 1 -ATOM 3674 O O . SER D 4 79 ? -26.289 41.849 14.020 1.00 59.72 ? 80 SER D O 1 -ATOM 3675 C CB . SER D 4 79 ? -24.136 39.656 15.151 1.00 59.04 ? 80 SER D CB 1 -ATOM 3676 O OG . SER D 4 79 ? -25.276 38.848 15.328 1.00 63.25 ? 80 SER D OG 1 -ATOM 3677 N N . GLN D 4 80 ? -24.197 42.539 13.432 1.00 61.12 ? 81 GLN D N 1 -ATOM 3678 C CA . GLN D 4 80 ? -24.550 43.283 12.215 1.00 54.23 ? 81 GLN D CA 1 -ATOM 3679 C C . GLN D 4 80 ? -23.975 42.512 11.001 1.00 51.01 ? 81 GLN D C 1 -ATOM 3680 O O . GLN D 4 80 ? -22.979 41.797 11.146 1.00 44.80 ? 81 GLN D O 1 -ATOM 3681 C CB . GLN D 4 80 ? -23.907 44.679 12.247 1.00 54.22 ? 81 GLN D CB 1 -ATOM 3682 C CG . GLN D 4 80 ? -24.102 45.507 13.526 1.00 54.66 ? 81 GLN D CG 1 -ATOM 3683 C CD . GLN D 4 80 ? -23.337 46.836 13.462 1.00 60.18 ? 81 GLN D CD 1 -ATOM 3684 O OE1 . GLN D 4 80 ? -22.416 46.993 12.653 1.00 62.69 ? 81 GLN D OE1 1 -ATOM 3685 N NE2 . GLN D 4 80 ? -23.720 47.794 14.302 1.00 57.17 ? 81 GLN D NE2 1 -ATOM 3686 N N . PRO D 4 81 ? -24.573 42.655 9.792 1.00 52.01 ? 82 PRO D N 1 -ATOM 3687 C CA . PRO D 4 81 ? -24.099 41.966 8.578 1.00 47.41 ? 82 PRO D CA 1 -ATOM 3688 C C . PRO D 4 81 ? -22.650 42.295 8.195 1.00 40.25 ? 82 PRO D C 1 -ATOM 3689 O O . PRO D 4 81 ? -22.018 41.532 7.473 1.00 38.57 ? 82 PRO D O 1 -ATOM 3690 C CB . PRO D 4 81 ? -25.071 42.445 7.497 1.00 46.29 ? 82 PRO D CB 1 -ATOM 3691 C CG . PRO D 4 81 ? -26.325 42.657 8.240 1.00 47.58 ? 82 PRO D CG 1 -ATOM 3692 C CD . PRO D 4 81 ? -25.827 43.380 9.491 1.00 54.64 ? 82 PRO D CD 1 -ATOM 3693 N N . GLY D 4 82 ? -22.150 43.450 8.634 1.00 34.65 ? 83 GLY D N 1 -ATOM 3694 C CA . GLY D 4 82 ? -20.773 43.812 8.344 1.00 32.07 ? 83 GLY D CA 1 -ATOM 3695 C C . GLY D 4 82 ? -19.828 42.899 9.104 1.00 33.56 ? 83 GLY D C 1 -ATOM 3696 O O . GLY D 4 82 ? -18.654 42.821 8.785 1.00 36.23 ? 83 GLY D O 1 -ATOM 3697 N N . ASP D 4 83 ? -20.354 42.197 10.108 1.00 36.75 ? 84 ASP D N 1 -ATOM 3698 C CA . ASP D 4 83 ? -19.573 41.282 10.938 1.00 38.00 ? 84 ASP D CA 1 -ATOM 3699 C C . ASP D 4 83 ? -19.175 39.969 10.280 1.00 35.84 ? 84 ASP D C 1 -ATOM 3700 O O . ASP D 4 83 ? -18.374 39.218 10.844 1.00 36.86 ? 84 ASP D O 1 -ATOM 3701 C CB . ASP D 4 83 ? -20.318 40.967 12.244 1.00 39.40 ? 84 ASP D CB 1 -ATOM 3702 C CG . ASP D 4 83 ? -20.173 42.059 13.283 1.00 40.23 ? 84 ASP D CG 1 -ATOM 3703 O OD1 . ASP D 4 83 ? -19.111 42.724 13.325 1.00 43.35 ? 84 ASP D OD1 1 -ATOM 3704 O OD2 . ASP D 4 83 ? -21.121 42.237 14.074 1.00 38.78 ? 84 ASP D OD2 1 -ATOM 3705 N N . SER D 4 84 ? -19.795 39.641 9.153 1.00 31.50 ? 85 SER D N 1 -ATOM 3706 C CA . SER D 4 84 ? -19.473 38.406 8.465 1.00 29.00 ? 85 SER D CA 1 -ATOM 3707 C C . SER D 4 84 ? -17.993 38.496 8.160 1.00 31.51 ? 85 SER D C 1 -ATOM 3708 O O . SER D 4 84 ? -17.513 39.506 7.641 1.00 36.81 ? 85 SER D O 1 -ATOM 3709 C CB . SER D 4 84 ? -20.284 38.272 7.181 1.00 32.72 ? 85 SER D CB 1 -ATOM 3710 O OG . SER D 4 84 ? -21.676 38.140 7.454 1.00 40.50 ? 85 SER D OG 1 -ATOM 3711 N N . ALA D 4 85 ? -17.262 37.466 8.559 1.00 27.79 ? 86 ALA D N 1 -ATOM 3712 C CA . ALA D 4 85 ? -15.828 37.424 8.364 1.00 16.74 ? 86 ALA D CA 1 -ATOM 3713 C C . ALA D 4 85 ? -15.353 36.146 9.009 1.00 18.32 ? 86 ALA D C 1 -ATOM 3714 O O . ALA D 4 85 ? -16.151 35.413 9.590 1.00 20.93 ? 86 ALA D O 1 -ATOM 3715 C CB . ALA D 4 85 ? -15.191 38.607 9.039 1.00 9.62 ? 86 ALA D CB 1 -ATOM 3716 N N . VAL D 4 86 ? -14.081 35.819 8.830 1.00 22.76 ? 87 VAL D N 1 -ATOM 3717 C CA . VAL D 4 86 ? -13.542 34.631 9.466 1.00 25.74 ? 87 VAL D CA 1 -ATOM 3718 C C . VAL D 4 86 ? -12.842 35.215 10.667 1.00 27.80 ? 87 VAL D C 1 -ATOM 3719 O O . VAL D 4 86 ? -12.043 36.161 10.528 1.00 21.83 ? 87 VAL D O 1 -ATOM 3720 C CB . VAL D 4 86 ? -12.479 33.875 8.622 1.00 26.26 ? 87 VAL D CB 1 -ATOM 3721 C CG1 . VAL D 4 86 ? -11.882 32.738 9.442 1.00 20.60 ? 87 VAL D CG1 1 -ATOM 3722 C CG2 . VAL D 4 86 ? -13.099 33.289 7.373 1.00 28.68 ? 87 VAL D CG2 1 -ATOM 3723 N N . TYR D 4 87 ? -13.216 34.711 11.840 1.00 28.01 ? 88 TYR D N 1 -ATOM 3724 C CA . TYR D 4 87 ? -12.626 35.147 13.092 1.00 23.49 ? 88 TYR D CA 1 -ATOM 3725 C C . TYR D 4 87 ? -11.614 34.130 13.597 1.00 23.77 ? 88 TYR D C 1 -ATOM 3726 O O . TYR D 4 87 ? -11.915 32.934 13.697 1.00 23.02 ? 88 TYR D O 1 -ATOM 3727 C CB . TYR D 4 87 ? -13.719 35.390 14.118 1.00 23.44 ? 88 TYR D CB 1 -ATOM 3728 C CG . TYR D 4 87 ? -14.610 36.562 13.779 1.00 17.31 ? 88 TYR D CG 1 -ATOM 3729 C CD1 . TYR D 4 87 ? -14.234 37.853 14.099 1.00 22.57 ? 88 TYR D CD1 1 -ATOM 3730 C CD2 . TYR D 4 87 ? -15.827 36.373 13.152 1.00 17.75 ? 88 TYR D CD2 1 -ATOM 3731 C CE1 . TYR D 4 87 ? -15.049 38.925 13.811 1.00 21.82 ? 88 TYR D CE1 1 -ATOM 3732 C CE2 . TYR D 4 87 ? -16.650 37.442 12.855 1.00 19.49 ? 88 TYR D CE2 1 -ATOM 3733 C CZ . TYR D 4 87 ? -16.254 38.713 13.189 1.00 19.77 ? 88 TYR D CZ 1 -ATOM 3734 O OH . TYR D 4 87 ? -17.072 39.787 12.928 1.00 33.64 ? 88 TYR D OH 1 -ATOM 3735 N N . PHE D 4 88 ? -10.384 34.599 13.782 1.00 22.73 ? 89 PHE D N 1 -ATOM 3736 C CA . PHE D 4 88 ? -9.294 33.770 14.267 1.00 31.24 ? 89 PHE D CA 1 -ATOM 3737 C C . PHE D 4 88 ? -8.951 34.012 15.726 1.00 34.24 ? 89 PHE D C 1 -ATOM 3738 O O . PHE D 4 88 ? -8.601 35.125 16.103 1.00 31.93 ? 89 PHE D O 1 -ATOM 3739 C CB . PHE D 4 88 ? -8.030 34.045 13.483 1.00 32.95 ? 89 PHE D CB 1 -ATOM 3740 C CG . PHE D 4 88 ? -8.099 33.637 12.068 1.00 37.61 ? 89 PHE D CG 1 -ATOM 3741 C CD1 . PHE D 4 88 ? -7.838 32.326 11.704 1.00 37.97 ? 89 PHE D CD1 1 -ATOM 3742 C CD2 . PHE D 4 88 ? -8.371 34.581 11.082 1.00 41.55 ? 89 PHE D CD2 1 -ATOM 3743 C CE1 . PHE D 4 88 ? -7.832 31.961 10.370 1.00 42.86 ? 89 PHE D CE1 1 -ATOM 3744 C CE2 . PHE D 4 88 ? -8.368 34.232 9.742 1.00 41.04 ? 89 PHE D CE2 1 -ATOM 3745 C CZ . PHE D 4 88 ? -8.101 32.920 9.380 1.00 43.64 ? 89 PHE D CZ 1 -ATOM 3746 N N . CYS D 4 89 ? -9.049 32.958 16.530 1.00 37.99 ? 90 CYS D N 1 -ATOM 3747 C CA . CYS D 4 89 ? -8.703 32.986 17.947 1.00 40.02 ? 90 CYS D CA 1 -ATOM 3748 C C . CYS D 4 89 ? -7.206 32.709 18.026 1.00 36.18 ? 90 CYS D C 1 -ATOM 3749 O O . CYS D 4 89 ? -6.716 31.765 17.404 1.00 38.88 ? 90 CYS D O 1 -ATOM 3750 C CB . CYS D 4 89 ? -9.481 31.893 18.685 1.00 44.30 ? 90 CYS D CB 1 -ATOM 3751 S SG . CYS D 4 89 ? -8.850 31.435 20.333 1.00 51.36 ? 90 CYS D SG 1 -ATOM 3752 N N . ALA D 4 90 ? -6.484 33.530 18.779 1.00 36.00 ? 91 ALA D N 1 -ATOM 3753 C CA . ALA D 4 90 ? -5.037 33.383 18.910 1.00 31.99 ? 91 ALA D CA 1 -ATOM 3754 C C . ALA D 4 90 ? -4.552 33.530 20.353 1.00 31.98 ? 91 ALA D C 1 -ATOM 3755 O O . ALA D 4 90 ? -5.273 34.027 21.220 1.00 33.84 ? 91 ALA D O 1 -ATOM 3756 C CB . ALA D 4 90 ? -4.340 34.395 18.022 1.00 20.54 ? 91 ALA D CB 1 -ATOM 3757 N N . ALA D 4 91 ? -3.310 33.123 20.579 1.00 28.62 ? 92 ALA D N 1 -ATOM 3758 C CA . ALA D 4 91 ? -2.672 33.179 21.877 1.00 26.60 ? 92 ALA D CA 1 -ATOM 3759 C C . ALA D 4 91 ? -1.163 33.346 21.671 1.00 26.91 ? 92 ALA D C 1 -ATOM 3760 O O . ALA D 4 91 ? -0.615 32.779 20.735 1.00 27.88 ? 92 ALA D O 1 -ATOM 3761 C CB . ALA D 4 91 ? -2.952 31.888 22.622 1.00 30.87 ? 92 ALA D CB 1 -ATOM 3762 N N . MET D 4 92 ? -0.485 34.121 22.515 1.00 25.12 ? 93 MET D N 1 -ATOM 3763 C CA . MET D 4 92 ? 0.957 34.274 22.352 1.00 26.40 ? 93 MET D CA 1 -ATOM 3764 C C . MET D 4 92 ? 1.709 33.504 23.419 1.00 28.96 ? 93 MET D C 1 -ATOM 3765 O O . MET D 4 92 ? 1.163 33.199 24.480 1.00 37.76 ? 93 MET D O 1 -ATOM 3766 C CB . MET D 4 92 ? 1.380 35.734 22.448 1.00 17.29 ? 93 MET D CB 1 -ATOM 3767 C CG . MET D 4 92 ? 0.360 36.694 21.957 1.00 25.08 ? 93 MET D CG 1 -ATOM 3768 S SD . MET D 4 92 ? 1.153 38.034 21.108 1.00 27.40 ? 93 MET D SD 1 -ATOM 3769 C CE . MET D 4 92 ? 1.442 39.183 22.294 1.00 36.11 ? 93 MET D CE 1 -ATOM 3770 N N . GLU D 4 93 ? 2.943 33.132 23.105 1.00 30.52 ? 94 GLU D N 1 -ATOM 3771 C CA . GLU D 4 93 ? 3.830 32.470 24.052 1.00 29.13 ? 94 GLU D CA 1 -ATOM 3772 C C . GLU D 4 93 ? 4.991 33.486 24.135 1.00 29.06 ? 94 GLU D C 1 -ATOM 3773 O O . GLU D 4 93 ? 6.085 33.275 23.602 1.00 22.51 ? 94 GLU D O 1 -ATOM 3774 C CB . GLU D 4 93 ? 4.287 31.115 23.507 1.00 27.95 ? 94 GLU D CB 1 -ATOM 3775 C CG . GLU D 4 93 ? 5.229 30.397 24.445 1.00 31.09 ? 94 GLU D CG 1 -ATOM 3776 C CD . GLU D 4 93 ? 5.587 29.025 23.960 1.00 36.63 ? 94 GLU D CD 1 -ATOM 3777 O OE1 . GLU D 4 93 ? 4.767 28.116 24.166 1.00 43.11 ? 94 GLU D OE1 1 -ATOM 3778 O OE2 . GLU D 4 93 ? 6.677 28.843 23.378 1.00 35.76 ? 94 GLU D OE2 1 -ATOM 3779 N N . GLY D 4 94 ? 4.713 34.607 24.794 1.00 28.50 ? 95 GLY D N 1 -ATOM 3780 C CA . GLY D 4 94 ? 5.663 35.700 24.880 1.00 31.56 ? 95 GLY D CA 1 -ATOM 3781 C C . GLY D 4 94 ? 5.178 36.680 23.806 1.00 34.99 ? 95 GLY D C 1 -ATOM 3782 O O . GLY D 4 94 ? 4.203 36.387 23.107 1.00 41.17 ? 95 GLY D O 1 -ATOM 3783 N N . ALA D 4 95 ? 5.874 37.786 23.585 1.00 29.55 ? 96 ALA D N 1 -ATOM 3784 C CA . ALA D 4 95 ? 5.406 38.753 22.594 1.00 28.88 ? 96 ALA D CA 1 -ATOM 3785 C C . ALA D 4 95 ? 5.966 38.544 21.191 1.00 31.96 ? 96 ALA D C 1 -ATOM 3786 O O . ALA D 4 95 ? 5.684 39.321 20.275 1.00 34.63 ? 96 ALA D O 1 -ATOM 3787 C CB . ALA D 4 95 ? 5.682 40.172 23.072 1.00 23.18 ? 96 ALA D CB 1 -ATOM 3788 N N . GLN D 4 96 ? 6.777 37.503 21.030 1.00 32.07 ? 102 GLN D N 1 -ATOM 3789 C CA . GLN D 4 96 ? 7.399 37.188 19.744 1.00 21.37 ? 102 GLN D CA 1 -ATOM 3790 C C . GLN D 4 96 ? 6.931 35.877 19.094 1.00 15.81 ? 102 GLN D C 1 -ATOM 3791 O O . GLN D 4 96 ? 7.588 35.330 18.201 1.00 13.66 ? 102 GLN D O 1 -ATOM 3792 C CB . GLN D 4 96 ? 8.925 37.256 19.884 1.00 23.58 ? 102 GLN D CB 1 -ATOM 3793 C CG . GLN D 4 96 ? 9.411 38.631 20.383 1.00 8.66 ? 102 GLN D CG 1 -ATOM 3794 C CD . GLN D 4 96 ? 10.902 38.704 20.569 1.00 12.56 ? 102 GLN D CD 1 -ATOM 3795 O OE1 . GLN D 4 96 ? 11.539 37.717 20.916 1.00 18.82 ? 102 GLN D OE1 1 -ATOM 3796 N NE2 . GLN D 4 96 ? 11.474 39.880 20.347 1.00 13.35 ? 102 GLN D NE2 1 -ATOM 3797 N N . LYS D 4 97 ? 5.787 35.385 19.553 1.00 9.21 ? 103 LYS D N 1 -ATOM 3798 C CA . LYS D 4 97 ? 5.181 34.199 18.990 1.00 14.61 ? 103 LYS D CA 1 -ATOM 3799 C C . LYS D 4 97 ? 3.667 34.272 19.120 1.00 17.63 ? 103 LYS D C 1 -ATOM 3800 O O . LYS D 4 97 ? 3.138 34.440 20.211 1.00 20.52 ? 103 LYS D O 1 -ATOM 3801 C CB . LYS D 4 97 ? 5.709 32.900 19.596 1.00 16.39 ? 103 LYS D CB 1 -ATOM 3802 C CG . LYS D 4 97 ? 4.972 31.685 19.010 1.00 20.58 ? 103 LYS D CG 1 -ATOM 3803 C CD . LYS D 4 97 ? 5.774 30.383 18.964 1.00 31.79 ? 103 LYS D CD 1 -ATOM 3804 C CE . LYS D 4 97 ? 5.036 29.340 18.091 1.00 42.86 ? 103 LYS D CE 1 -ATOM 3805 N NZ . LYS D 4 97 ? 5.576 27.931 18.113 1.00 53.32 ? 103 LYS D NZ 1 -ATOM 3806 N N . LEU D 4 98 ? 2.987 34.148 17.984 1.00 22.37 ? 104 LEU D N 1 -ATOM 3807 C CA . LEU D 4 98 ? 1.530 34.178 17.897 1.00 23.26 ? 104 LEU D CA 1 -ATOM 3808 C C . LEU D 4 98 ? 1.115 32.814 17.355 1.00 27.26 ? 104 LEU D C 1 -ATOM 3809 O O . LEU D 4 98 ? 1.770 32.276 16.462 1.00 30.15 ? 104 LEU D O 1 -ATOM 3810 C CB . LEU D 4 98 ? 1.091 35.232 16.884 1.00 34.69 ? 104 LEU D CB 1 -ATOM 3811 C CG . LEU D 4 98 ? -0.109 36.107 17.199 1.00 33.73 ? 104 LEU D CG 1 -ATOM 3812 C CD1 . LEU D 4 98 ? -1.318 35.291 17.484 1.00 35.05 ? 104 LEU D CD1 1 -ATOM 3813 C CD2 . LEU D 4 98 ? 0.244 36.915 18.404 1.00 50.00 ? 104 LEU D CD2 1 -ATOM 3814 N N . VAL D 4 99 ? 0.052 32.242 17.901 1.00 22.34 ? 105 VAL D N 1 -ATOM 3815 C CA . VAL D 4 99 ? -0.426 30.957 17.447 1.00 19.61 ? 105 VAL D CA 1 -ATOM 3816 C C . VAL D 4 99 ? -1.907 31.065 17.169 1.00 20.42 ? 105 VAL D C 1 -ATOM 3817 O O . VAL D 4 99 ? -2.695 31.338 18.066 1.00 23.79 ? 105 VAL D O 1 -ATOM 3818 C CB . VAL D 4 99 ? -0.141 29.877 18.493 1.00 25.84 ? 105 VAL D CB 1 -ATOM 3819 C CG1 . VAL D 4 99 ? -0.673 28.502 18.040 1.00 18.81 ? 105 VAL D CG1 1 -ATOM 3820 C CG2 . VAL D 4 99 ? 1.354 29.831 18.758 1.00 19.30 ? 105 VAL D CG2 1 -ATOM 3821 N N . PHE D 4 100 ? -2.271 30.897 15.903 1.00 22.03 ? 106 PHE D N 1 -ATOM 3822 C CA . PHE D 4 100 ? -3.663 30.992 15.500 1.00 23.18 ? 106 PHE D CA 1 -ATOM 3823 C C . PHE D 4 100 ? -4.323 29.631 15.475 1.00 24.69 ? 106 PHE D C 1 -ATOM 3824 O O . PHE D 4 100 ? -3.671 28.593 15.587 1.00 23.42 ? 106 PHE D O 1 -ATOM 3825 C CB . PHE D 4 100 ? -3.801 31.628 14.112 1.00 19.54 ? 106 PHE D CB 1 -ATOM 3826 C CG . PHE D 4 100 ? -3.278 33.027 14.023 1.00 18.44 ? 106 PHE D CG 1 -ATOM 3827 C CD1 . PHE D 4 100 ? -1.928 33.259 13.818 1.00 16.04 ? 106 PHE D CD1 1 -ATOM 3828 C CD2 . PHE D 4 100 ? -4.139 34.117 14.132 1.00 19.58 ? 106 PHE D CD2 1 -ATOM 3829 C CE1 . PHE D 4 100 ? -1.438 34.561 13.722 1.00 26.67 ? 106 PHE D CE1 1 -ATOM 3830 C CE2 . PHE D 4 100 ? -3.663 35.425 14.035 1.00 18.89 ? 106 PHE D CE2 1 -ATOM 3831 C CZ . PHE D 4 100 ? -2.311 35.651 13.833 1.00 22.65 ? 106 PHE D CZ 1 -ATOM 3832 N N . GLY D 4 101 ? -5.640 29.667 15.351 1.00 26.69 ? 107 GLY D N 1 -ATOM 3833 C CA . GLY D 4 101 ? -6.417 28.456 15.270 1.00 30.71 ? 107 GLY D CA 1 -ATOM 3834 C C . GLY D 4 101 ? -6.920 28.311 13.846 1.00 36.68 ? 107 GLY D C 1 -ATOM 3835 O O . GLY D 4 101 ? -6.550 29.084 12.953 1.00 38.23 ? 107 GLY D O 1 -ATOM 3836 N N . GLN D 4 102 ? -7.889 27.424 13.667 1.00 37.03 ? 108 GLN D N 1 -ATOM 3837 C CA . GLN D 4 102 ? -8.420 27.144 12.346 1.00 32.38 ? 108 GLN D CA 1 -ATOM 3838 C C . GLN D 4 102 ? -9.291 28.277 11.807 1.00 31.92 ? 108 GLN D C 1 -ATOM 3839 O O . GLN D 4 102 ? -9.340 28.502 10.608 1.00 36.11 ? 108 GLN D O 1 -ATOM 3840 C CB . GLN D 4 102 ? -9.163 25.799 12.335 1.00 29.77 ? 108 GLN D CB 1 -ATOM 3841 C CG . GLN D 4 102 ? -9.015 24.905 13.595 1.00 33.21 ? 108 GLN D CG 1 -ATOM 3842 C CD . GLN D 4 102 ? -7.581 24.570 13.991 1.00 37.15 ? 108 GLN D CD 1 -ATOM 3843 O OE1 . GLN D 4 102 ? -6.813 25.434 14.384 1.00 43.02 ? 108 GLN D OE1 1 -ATOM 3844 N NE2 . GLN D 4 102 ? -7.245 23.296 13.962 1.00 47.19 ? 108 GLN D NE2 1 -ATOM 3845 N N . GLY D 4 103 ? -9.850 29.075 12.707 1.00 31.34 ? 109 GLY D N 1 -ATOM 3846 C CA . GLY D 4 103 ? -10.714 30.172 12.309 1.00 28.51 ? 109 GLY D CA 1 -ATOM 3847 C C . GLY D 4 103 ? -12.145 29.684 12.114 1.00 33.86 ? 109 GLY D C 1 -ATOM 3848 O O . GLY D 4 103 ? -12.387 28.483 11.928 1.00 30.28 ? 109 GLY D O 1 -ATOM 3849 N N . THR D 4 104 ? -13.095 30.610 12.193 1.00 36.46 ? 110 THR D N 1 -ATOM 3850 C CA . THR D 4 104 ? -14.505 30.293 12.004 1.00 37.86 ? 110 THR D CA 1 -ATOM 3851 C C . THR D 4 104 ? -15.170 31.389 11.175 1.00 42.28 ? 110 THR D C 1 -ATOM 3852 O O . THR D 4 104 ? -15.001 32.586 11.451 1.00 37.90 ? 110 THR D O 1 -ATOM 3853 C CB . THR D 4 104 ? -15.252 30.124 13.359 1.00 41.48 ? 110 THR D CB 1 -ATOM 3854 O OG1 . THR D 4 104 ? -14.786 28.934 14.010 1.00 42.58 ? 110 THR D OG1 1 -ATOM 3855 C CG2 . THR D 4 104 ? -16.774 30.020 13.151 1.00 40.97 ? 110 THR D CG2 1 -ATOM 3856 N N . ARG D 4 105 ? -15.852 30.973 10.110 1.00 44.72 ? 111 ARG D N 1 -ATOM 3857 C CA . ARG D 4 105 ? -16.550 31.907 9.237 1.00 45.96 ? 111 ARG D CA 1 -ATOM 3858 C C . ARG D 4 105 ? -17.852 32.308 9.862 1.00 42.64 ? 111 ARG D C 1 -ATOM 3859 O O . ARG D 4 105 ? -18.733 31.474 10.089 1.00 43.25 ? 111 ARG D O 1 -ATOM 3860 C CB . ARG D 4 105 ? -16.908 31.289 7.896 1.00 53.12 ? 111 ARG D CB 1 -ATOM 3861 C CG . ARG D 4 105 ? -15.790 31.042 6.962 1.00 63.88 ? 111 ARG D CG 1 -ATOM 3862 C CD . ARG D 4 105 ? -16.349 30.363 5.756 1.00 69.04 ? 111 ARG D CD 1 -ATOM 3863 N NE . ARG D 4 105 ? -15.286 29.813 4.943 1.00 82.77 ? 111 ARG D NE 1 -ATOM 3864 C CZ . ARG D 4 105 ? -15.479 29.285 3.745 1.00 94.65 ? 111 ARG D CZ 1 -ATOM 3865 N NH1 . ARG D 4 105 ? -16.702 29.235 3.233 1.00 99.99 ? 111 ARG D NH1 1 -ATOM 3866 N NH2 . ARG D 4 105 ? -14.445 28.842 3.044 1.00 99.98 ? 111 ARG D NH2 1 -ATOM 3867 N N . LEU D 4 106 ? -17.968 33.583 10.169 1.00 38.72 ? 112 LEU D N 1 -ATOM 3868 C CA . LEU D 4 106 ? -19.205 34.064 10.713 1.00 38.73 ? 112 LEU D CA 1 -ATOM 3869 C C . LEU D 4 106 ? -19.962 34.691 9.556 1.00 38.19 ? 112 LEU D C 1 -ATOM 3870 O O . LEU D 4 106 ? -19.408 35.486 8.785 1.00 33.44 ? 112 LEU D O 1 -ATOM 3871 C CB . LEU D 4 106 ? -18.977 35.091 11.814 1.00 36.29 ? 112 LEU D CB 1 -ATOM 3872 C CG . LEU D 4 106 ? -20.317 35.470 12.436 1.00 34.29 ? 112 LEU D CG 1 -ATOM 3873 C CD1 . LEU D 4 106 ? -20.947 34.197 12.997 1.00 30.30 ? 112 LEU D CD1 1 -ATOM 3874 C CD2 . LEU D 4 106 ? -20.156 36.555 13.507 1.00 35.18 ? 112 LEU D CD2 1 -ATOM 3875 N N . THR D 4 107 ? -21.217 34.289 9.420 1.00 40.91 ? 113 THR D N 1 -ATOM 3876 C CA . THR D 4 107 ? -22.085 34.801 8.379 1.00 41.49 ? 113 THR D CA 1 -ATOM 3877 C C . THR D 4 107 ? -23.300 35.412 9.072 1.00 42.07 ? 113 THR D C 1 -ATOM 3878 O O . THR D 4 107 ? -24.131 34.700 9.643 1.00 41.37 ? 113 THR D O 1 -ATOM 3879 C CB . THR D 4 107 ? -22.531 33.667 7.388 1.00 43.22 ? 113 THR D CB 1 -ATOM 3880 O OG1 . THR D 4 107 ? -21.377 33.053 6.787 1.00 40.86 ? 113 THR D OG1 1 -ATOM 3881 C CG2 . THR D 4 107 ? -23.416 34.230 6.282 1.00 40.64 ? 113 THR D CG2 1 -ATOM 3882 N N . ILE D 4 108 ? -23.298 36.735 9.168 1.00 43.22 ? 114 ILE D N 1 -ATOM 3883 C CA . ILE D 4 108 ? -24.414 37.451 9.758 1.00 47.64 ? 114 ILE D CA 1 -ATOM 3884 C C . ILE D 4 108 ? -25.389 37.730 8.592 1.00 47.30 ? 114 ILE D C 1 -ATOM 3885 O O . ILE D 4 108 ? -25.105 38.514 7.678 1.00 48.71 ? 114 ILE D O 1 -ATOM 3886 C CB . ILE D 4 108 ? -23.926 38.751 10.430 1.00 43.13 ? 114 ILE D CB 1 -ATOM 3887 N N . ASN D 4 109 ? -26.509 37.016 8.609 1.00 45.04 ? 115 ASN D N 1 -ATOM 3888 C CA . ASN D 4 109 ? -27.554 37.107 7.589 1.00 43.66 ? 115 ASN D CA 1 -ATOM 3889 C C . ASN D 4 109 ? -28.494 38.298 7.775 1.00 46.41 ? 115 ASN D C 1 -ATOM 3890 O O . ASN D 4 109 ? -29.150 38.414 8.813 1.00 46.87 ? 115 ASN D O 1 -ATOM 3891 C CB . ASN D 4 109 ? -28.392 35.838 7.622 1.00 36.95 ? 115 ASN D CB 1 -ATOM 3892 C CG . ASN D 4 109 ? -27.557 34.599 7.535 1.00 36.56 ? 115 ASN D CG 1 -ATOM 3893 O OD1 . ASN D 4 109 ? -26.373 34.658 7.214 1.00 38.62 ? 115 ASN D OD1 1 -ATOM 3894 N ND2 . ASN D 4 109 ? -28.155 33.463 7.846 1.00 39.68 ? 115 ASN D ND2 1 -ATOM 3895 N N . PRO D 4 110 ? -28.644 39.151 6.740 1.00 49.13 ? 116 PRO D N 1 -ATOM 3896 C CA . PRO D 4 110 ? -29.533 40.316 6.855 1.00 50.06 ? 116 PRO D CA 1 -ATOM 3897 C C . PRO D 4 110 ? -31.002 39.889 6.929 1.00 50.64 ? 116 PRO D C 1 -ATOM 3898 O O . PRO D 4 110 ? -31.367 38.808 6.447 1.00 47.70 ? 116 PRO D O 1 -ATOM 3899 C CB . PRO D 4 110 ? -29.262 41.084 5.557 1.00 48.50 ? 116 PRO D CB 1 -ATOM 3900 C CG . PRO D 4 110 ? -27.919 40.579 5.106 1.00 45.34 ? 116 PRO D CG 1 -ATOM 3901 C CD . PRO D 4 110 ? -28.013 39.118 5.412 1.00 46.58 ? 116 PRO D CD 1 -ATOM 3902 N N . ASN D 4 111 ? -31.833 40.712 7.561 1.00 51.34 ? 117 ASN D N 1 -ATOM 3903 C CA . ASN D 4 111 ? -33.258 40.403 7.677 1.00 56.82 ? 117 ASN D CA 1 -ATOM 3904 C C . ASN D 4 111 ? -33.923 40.812 6.365 1.00 57.32 ? 117 ASN D C 1 -ATOM 3905 O O . ASN D 4 111 ? -33.722 41.942 5.908 1.00 64.77 ? 117 ASN D O 1 -ATOM 3906 C CB . ASN D 4 111 ? -33.912 41.197 8.828 1.00 59.70 ? 117 ASN D CB 1 -ATOM 3907 C CG . ASN D 4 111 ? -33.459 40.744 10.217 1.00 55.90 ? 117 ASN D CG 1 -ATOM 3908 O OD1 . ASN D 4 111 ? -33.272 39.547 10.473 1.00 55.16 ? 117 ASN D OD1 1 -ATOM 3909 N ND2 . ASN D 4 111 ? -33.309 41.706 11.128 1.00 45.27 ? 117 ASN D ND2 1 -ATOM 3910 N N . ILE D 4 112 ? -34.698 39.916 5.757 1.00 53.00 ? 118 ILE D N 1 -ATOM 3911 C CA . ILE D 4 112 ? -35.372 40.258 4.505 1.00 53.36 ? 118 ILE D CA 1 -ATOM 3912 C C . ILE D 4 112 ? -36.787 40.748 4.825 1.00 54.21 ? 118 ILE D C 1 -ATOM 3913 O O . ILE D 4 112 ? -37.601 39.989 5.358 1.00 56.24 ? 118 ILE D O 1 -ATOM 3914 C CB . ILE D 4 112 ? -35.464 39.059 3.526 1.00 53.06 ? 118 ILE D CB 1 -ATOM 3915 C CG1 . ILE D 4 112 ? -34.204 38.187 3.580 1.00 54.40 ? 118 ILE D CG1 1 -ATOM 3916 C CG2 . ILE D 4 112 ? -35.591 39.583 2.103 1.00 56.88 ? 118 ILE D CG2 1 -ATOM 3917 C CD1 . ILE D 4 112 ? -32.966 38.815 2.939 1.00 51.25 ? 118 ILE D CD1 1 -ATOM 3918 N N . GLN D 4 113 ? -37.075 41.999 4.460 1.00 54.25 ? 119 GLN D N 1 -ATOM 3919 C CA . GLN D 4 113 ? -38.375 42.637 4.710 1.00 52.49 ? 119 GLN D CA 1 -ATOM 3920 C C . GLN D 4 113 ? -39.535 41.993 3.950 1.00 55.12 ? 119 GLN D C 1 -ATOM 3921 O O . GLN D 4 113 ? -40.517 41.557 4.555 1.00 55.96 ? 119 GLN D O 1 -ATOM 3922 C CB . GLN D 4 113 ? -38.297 44.122 4.395 1.00 49.00 ? 119 GLN D CB 1 -ATOM 3923 N N . ASN D 4 114 ? -39.438 41.956 2.624 1.00 59.57 ? 120 ASN D N 1 -ATOM 3924 C CA . ASN D 4 114 ? -40.486 41.346 1.813 1.00 62.68 ? 120 ASN D CA 1 -ATOM 3925 C C . ASN D 4 114 ? -39.887 40.455 0.718 1.00 62.56 ? 120 ASN D C 1 -ATOM 3926 O O . ASN D 4 114 ? -39.588 40.929 -0.375 1.00 67.82 ? 120 ASN D O 1 -ATOM 3927 C CB . ASN D 4 114 ? -41.385 42.428 1.211 1.00 62.03 ? 120 ASN D CB 1 -ATOM 3928 C CG . ASN D 4 114 ? -42.823 41.982 1.119 1.00 67.47 ? 120 ASN D CG 1 -ATOM 3929 O OD1 . ASN D 4 114 ? -43.103 40.793 0.973 1.00 69.55 ? 120 ASN D OD1 1 -ATOM 3930 N ND2 . ASN D 4 114 ? -43.750 42.924 1.255 1.00 74.35 ? 120 ASN D ND2 1 -ATOM 3931 N N . PRO D 4 115 ? -39.647 39.162 1.026 1.00 63.15 ? 121 PRO D N 1 -ATOM 3932 C CA . PRO D 4 115 ? -39.072 38.188 0.091 1.00 62.11 ? 121 PRO D CA 1 -ATOM 3933 C C . PRO D 4 115 ? -40.067 37.451 -0.780 1.00 61.25 ? 121 PRO D C 1 -ATOM 3934 O O . PRO D 4 115 ? -41.237 37.284 -0.424 1.00 58.55 ? 121 PRO D O 1 -ATOM 3935 C CB . PRO D 4 115 ? -38.378 37.173 1.010 1.00 63.80 ? 121 PRO D CB 1 -ATOM 3936 C CG . PRO D 4 115 ? -38.535 37.720 2.411 1.00 71.50 ? 121 PRO D CG 1 -ATOM 3937 C CD . PRO D 4 115 ? -39.774 38.555 2.356 1.00 68.61 ? 121 PRO D CD 1 -ATOM 3938 N N . ASP D 4 116 ? -39.541 36.939 -1.887 1.00 59.77 ? 122 ASP D N 1 -ATOM 3939 C CA . ASP D 4 116 ? -40.298 36.153 -2.859 1.00 59.12 ? 122 ASP D CA 1 -ATOM 3940 C C . ASP D 4 116 ? -39.270 35.410 -3.717 1.00 56.84 ? 122 ASP D C 1 -ATOM 3941 O O . ASP D 4 116 ? -38.797 35.913 -4.744 1.00 57.54 ? 122 ASP D O 1 -ATOM 3942 C CB . ASP D 4 116 ? -41.285 37.008 -3.689 1.00 59.78 ? 122 ASP D CB 1 -ATOM 3943 C CG . ASP D 4 116 ? -40.614 38.124 -4.479 1.00 63.11 ? 122 ASP D CG 1 -ATOM 3944 O OD1 . ASP D 4 116 ? -39.488 38.539 -4.119 1.00 67.26 ? 122 ASP D OD1 1 -ATOM 3945 O OD2 . ASP D 4 116 ? -41.242 38.598 -5.459 1.00 54.43 ? 122 ASP D OD2 1 -ATOM 3946 N N . PRO D 4 117 ? -38.886 34.204 -3.283 1.00 51.13 ? 123 PRO D N 1 -ATOM 3947 C CA . PRO D 4 117 ? -37.913 33.343 -3.950 1.00 48.34 ? 123 PRO D CA 1 -ATOM 3948 C C . PRO D 4 117 ? -38.332 33.111 -5.375 1.00 46.08 ? 123 PRO D C 1 -ATOM 3949 O O . PRO D 4 117 ? -39.510 33.241 -5.690 1.00 47.22 ? 123 PRO D O 1 -ATOM 3950 C CB . PRO D 4 117 ? -37.984 32.041 -3.152 1.00 49.01 ? 123 PRO D CB 1 -ATOM 3951 C CG . PRO D 4 117 ? -38.484 32.464 -1.819 1.00 53.55 ? 123 PRO D CG 1 -ATOM 3952 C CD . PRO D 4 117 ? -39.544 33.469 -2.183 1.00 50.89 ? 123 PRO D CD 1 -ATOM 3953 N N . ALA D 4 118 ? -37.382 32.725 -6.216 1.00 44.29 ? 124 ALA D N 1 -ATOM 3954 C CA . ALA D 4 118 ? -37.666 32.477 -7.621 1.00 39.89 ? 124 ALA D CA 1 -ATOM 3955 C C . ALA D 4 118 ? -36.414 32.028 -8.350 1.00 37.46 ? 124 ALA D C 1 -ATOM 3956 O O . ALA D 4 118 ? -35.306 32.421 -7.976 1.00 37.66 ? 124 ALA D O 1 -ATOM 3957 C CB . ALA D 4 118 ? -38.174 33.771 -8.261 1.00 38.91 ? 124 ALA D CB 1 -ATOM 3958 N N . VAL D 4 119 ? -36.578 31.179 -9.358 1.00 33.58 ? 125 VAL D N 1 -ATOM 3959 C CA . VAL D 4 119 ? -35.438 30.771 -10.166 1.00 36.96 ? 125 VAL D CA 1 -ATOM 3960 C C . VAL D 4 119 ? -35.768 31.302 -11.549 1.00 36.74 ? 125 VAL D C 1 -ATOM 3961 O O . VAL D 4 119 ? -36.890 31.126 -12.044 1.00 33.15 ? 125 VAL D O 1 -ATOM 3962 C CB . VAL D 4 119 ? -35.174 29.241 -10.194 1.00 39.22 ? 125 VAL D CB 1 -ATOM 3963 C CG1 . VAL D 4 119 ? -35.031 28.698 -8.783 1.00 41.61 ? 125 VAL D CG1 1 -ATOM 3964 C CG2 . VAL D 4 119 ? -36.232 28.518 -10.969 1.00 47.03 ? 125 VAL D CG2 1 -ATOM 3965 N N . TYR D 4 120 ? -34.845 32.081 -12.099 1.00 36.23 ? 126 TYR D N 1 -ATOM 3966 C CA . TYR D 4 120 ? -35.020 32.687 -13.411 1.00 36.91 ? 126 TYR D CA 1 -ATOM 3967 C C . TYR D 4 120 ? -33.941 32.160 -14.339 1.00 39.44 ? 126 TYR D C 1 -ATOM 3968 O O . TYR D 4 120 ? -32.824 31.876 -13.892 1.00 41.11 ? 126 TYR D O 1 -ATOM 3969 C CB . TYR D 4 120 ? -34.887 34.214 -13.318 1.00 31.88 ? 126 TYR D CB 1 -ATOM 3970 C CG . TYR D 4 120 ? -35.896 34.896 -12.412 1.00 31.84 ? 126 TYR D CG 1 -ATOM 3971 C CD1 . TYR D 4 120 ? -37.261 34.890 -12.718 1.00 32.53 ? 126 TYR D CD1 1 -ATOM 3972 C CD2 . TYR D 4 120 ? -35.482 35.566 -11.261 1.00 32.52 ? 126 TYR D CD2 1 -ATOM 3973 C CE1 . TYR D 4 120 ? -38.190 35.536 -11.903 1.00 34.09 ? 126 TYR D CE1 1 -ATOM 3974 C CE2 . TYR D 4 120 ? -36.400 36.217 -10.435 1.00 34.65 ? 126 TYR D CE2 1 -ATOM 3975 C CZ . TYR D 4 120 ? -37.754 36.201 -10.759 1.00 38.52 ? 126 TYR D CZ 1 -ATOM 3976 O OH . TYR D 4 120 ? -38.668 36.843 -9.938 1.00 39.14 ? 126 TYR D OH 1 -ATOM 3977 N N . GLN D 4 121 ? -34.276 31.986 -15.615 1.00 41.90 ? 127 GLN D N 1 -ATOM 3978 C CA . GLN D 4 121 ? -33.289 31.524 -16.586 1.00 42.76 ? 127 GLN D CA 1 -ATOM 3979 C C . GLN D 4 121 ? -32.874 32.764 -17.338 1.00 40.40 ? 127 GLN D C 1 -ATOM 3980 O O . GLN D 4 121 ? -33.717 33.527 -17.808 1.00 41.00 ? 127 GLN D O 1 -ATOM 3981 C CB . GLN D 4 121 ? -33.875 30.501 -17.549 1.00 49.43 ? 127 GLN D CB 1 -ATOM 3982 C CG . GLN D 4 121 ? -32.816 29.618 -18.195 1.00 58.71 ? 127 GLN D CG 1 -ATOM 3983 C CD . GLN D 4 121 ? -33.401 28.683 -19.230 1.00 67.85 ? 127 GLN D CD 1 -ATOM 3984 O OE1 . GLN D 4 121 ? -33.729 29.110 -20.337 1.00 74.14 ? 127 GLN D OE1 1 -ATOM 3985 N NE2 . GLN D 4 121 ? -33.526 27.399 -18.886 1.00 68.40 ? 127 GLN D NE2 1 -ATOM 3986 N N . LEU D 4 122 ? -31.579 33.010 -17.376 1.00 38.16 ? 128 LEU D N 1 -ATOM 3987 C CA . LEU D 4 122 ? -31.055 34.181 -18.046 1.00 41.56 ? 128 LEU D CA 1 -ATOM 3988 C C . LEU D 4 122 ? -30.258 33.648 -19.211 1.00 46.80 ? 128 LEU D C 1 -ATOM 3989 O O . LEU D 4 122 ? -29.612 32.602 -19.082 1.00 47.59 ? 128 LEU D O 1 -ATOM 3990 C CB . LEU D 4 122 ? -30.159 34.974 -17.090 1.00 47.70 ? 128 LEU D CB 1 -ATOM 3991 C CG . LEU D 4 122 ? -30.832 35.609 -15.857 1.00 53.44 ? 128 LEU D CG 1 -ATOM 3992 C CD1 . LEU D 4 122 ? -31.373 34.562 -14.890 1.00 47.98 ? 128 LEU D CD1 1 -ATOM 3993 C CD2 . LEU D 4 122 ? -29.842 36.494 -15.134 1.00 55.06 ? 128 LEU D CD2 1 -ATOM 3994 N N . ARG D 4 123 ? -30.303 34.350 -20.344 1.00 48.28 ? 129 ARG D N 1 -ATOM 3995 C CA . ARG D 4 123 ? -29.591 33.922 -21.547 1.00 47.73 ? 129 ARG D CA 1 -ATOM 3996 C C . ARG D 4 123 ? -28.434 34.851 -21.906 1.00 45.29 ? 129 ARG D C 1 -ATOM 3997 O O . ARG D 4 123 ? -28.504 36.056 -21.663 1.00 43.32 ? 129 ARG D O 1 -ATOM 3998 C CB . ARG D 4 123 ? -30.563 33.795 -22.711 1.00 48.56 ? 129 ARG D CB 1 -ATOM 3999 N N . ASP D 4 124 ? -27.352 34.264 -22.418 1.00 44.15 ? 130 ASP D N 1 -ATOM 4000 C CA . ASP D 4 124 ? -26.150 34.994 -22.821 1.00 47.63 ? 130 ASP D CA 1 -ATOM 4001 C C . ASP D 4 124 ? -26.401 36.203 -23.731 1.00 52.97 ? 130 ASP D C 1 -ATOM 4002 O O . ASP D 4 124 ? -27.313 36.210 -24.564 1.00 56.13 ? 130 ASP D O 1 -ATOM 4003 C CB . ASP D 4 124 ? -25.150 34.040 -23.501 1.00 43.70 ? 130 ASP D CB 1 -ATOM 4004 C CG . ASP D 4 124 ? -23.710 34.577 -23.509 1.00 42.97 ? 130 ASP D CG 1 -ATOM 4005 O OD1 . ASP D 4 124 ? -23.495 35.799 -23.481 1.00 46.72 ? 130 ASP D OD1 1 -ATOM 4006 O OD2 . ASP D 4 124 ? -22.765 33.760 -23.551 1.00 47.32 ? 130 ASP D OD2 1 -ATOM 4007 N N . SER D 4 125 ? -25.622 37.252 -23.482 1.00 55.03 ? 131 SER D N 1 -ATOM 4008 C CA . SER D 4 125 ? -25.668 38.474 -24.268 1.00 54.81 ? 131 SER D CA 1 -ATOM 4009 C C . SER D 4 125 ? -25.373 38.105 -25.710 1.00 56.18 ? 131 SER D C 1 -ATOM 4010 O O . SER D 4 125 ? -25.831 38.772 -26.624 1.00 51.77 ? 131 SER D O 1 -ATOM 4011 C CB . SER D 4 125 ? -24.591 39.440 -23.759 1.00 54.44 ? 131 SER D CB 1 -ATOM 4012 O OG . SER D 4 125 ? -24.235 40.401 -24.735 1.00 61.37 ? 131 SER D OG 1 -ATOM 4013 N N . LYS D 4 126 ? -24.622 37.015 -25.872 1.00 61.79 ? 132 LYS D N 1 -ATOM 4014 C CA . LYS D 4 126 ? -24.224 36.507 -27.180 1.00 73.44 ? 132 LYS D CA 1 -ATOM 4015 C C . LYS D 4 126 ? -24.760 35.084 -27.447 1.00 78.11 ? 132 LYS D C 1 -ATOM 4016 O O . LYS D 4 126 ? -24.349 34.487 -28.467 1.00 87.04 ? 132 LYS D O 1 -ATOM 4017 C CB . LYS D 4 126 ? -22.694 36.536 -27.293 1.00 71.58 ? 132 LYS D CB 1 -ATOM 4018 N N . SER D 4 131 ? -27.272 29.532 -21.026 1.00 66.01 ? 137 SER D N 1 -ATOM 4019 C CA . SER D 4 131 ? -28.287 29.833 -19.975 1.00 61.13 ? 137 SER D CA 1 -ATOM 4020 C C . SER D 4 131 ? -27.807 29.475 -18.570 1.00 58.37 ? 137 SER D C 1 -ATOM 4021 O O . SER D 4 131 ? -27.213 28.413 -18.358 1.00 59.57 ? 137 SER D O 1 -ATOM 4022 C CB . SER D 4 131 ? -29.597 29.098 -20.286 1.00 55.52 ? 137 SER D CB 1 -ATOM 4023 N N . VAL D 4 132 ? -28.023 30.395 -17.634 1.00 55.30 ? 138 VAL D N 1 -ATOM 4024 C CA . VAL D 4 132 ? -27.667 30.191 -16.229 1.00 52.57 ? 138 VAL D CA 1 -ATOM 4025 C C . VAL D 4 132 ? -28.930 30.447 -15.397 1.00 52.99 ? 138 VAL D C 1 -ATOM 4026 O O . VAL D 4 132 ? -29.728 31.319 -15.737 1.00 59.80 ? 138 VAL D O 1 -ATOM 4027 C CB . VAL D 4 132 ? -26.541 31.160 -15.750 1.00 47.68 ? 138 VAL D CB 1 -ATOM 4028 C CG1 . VAL D 4 132 ? -25.250 30.906 -16.506 1.00 51.31 ? 138 VAL D CG1 1 -ATOM 4029 C CG2 . VAL D 4 132 ? -26.960 32.595 -15.920 1.00 42.99 ? 138 VAL D CG2 1 -ATOM 4030 N N . CYS D 4 133 ? -29.162 29.628 -14.380 1.00 49.68 ? 139 CYS D N 1 -ATOM 4031 C CA . CYS D 4 133 ? -30.312 29.782 -13.502 1.00 45.90 ? 139 CYS D CA 1 -ATOM 4032 C C . CYS D 4 133 ? -29.979 30.628 -12.287 1.00 43.60 ? 139 CYS D C 1 -ATOM 4033 O O . CYS D 4 133 ? -29.036 30.327 -11.554 1.00 40.18 ? 139 CYS D O 1 -ATOM 4034 C CB . CYS D 4 133 ? -30.791 28.417 -13.031 1.00 51.84 ? 139 CYS D CB 1 -ATOM 4035 S SG . CYS D 4 133 ? -31.311 27.348 -14.396 1.00 56.31 ? 139 CYS D SG 1 -ATOM 4036 N N . LEU D 4 134 ? -30.764 31.674 -12.069 1.00 39.30 ? 140 LEU D N 1 -ATOM 4037 C CA . LEU D 4 134 ? -30.570 32.560 -10.934 1.00 36.02 ? 140 LEU D CA 1 -ATOM 4038 C C . LEU D 4 134 ? -31.685 32.349 -9.909 1.00 41.82 ? 140 LEU D C 1 -ATOM 4039 O O . LEU D 4 134 ? -32.863 32.579 -10.214 1.00 45.30 ? 140 LEU D O 1 -ATOM 4040 C CB . LEU D 4 134 ? -30.564 34.015 -11.407 1.00 31.18 ? 140 LEU D CB 1 -ATOM 4041 C CG . LEU D 4 134 ? -30.607 35.135 -10.357 1.00 34.63 ? 140 LEU D CG 1 -ATOM 4042 C CD1 . LEU D 4 134 ? -29.252 35.313 -9.676 1.00 22.09 ? 140 LEU D CD1 1 -ATOM 4043 C CD2 . LEU D 4 134 ? -31.029 36.439 -11.030 1.00 36.88 ? 140 LEU D CD2 1 -ATOM 4044 N N . PHE D 4 135 ? -31.308 31.835 -8.732 1.00 42.10 ? 141 PHE D N 1 -ATOM 4045 C CA . PHE D 4 135 ? -32.214 31.588 -7.595 1.00 35.31 ? 141 PHE D CA 1 -ATOM 4046 C C . PHE D 4 135 ? -31.962 32.814 -6.743 1.00 34.56 ? 141 PHE D C 1 -ATOM 4047 O O . PHE D 4 135 ? -30.878 32.974 -6.180 1.00 33.67 ? 141 PHE D O 1 -ATOM 4048 C CB . PHE D 4 135 ? -31.801 30.310 -6.839 1.00 33.64 ? 141 PHE D CB 1 -ATOM 4049 C CG . PHE D 4 135 ? -32.610 30.022 -5.593 1.00 26.48 ? 141 PHE D CG 1 -ATOM 4050 C CD1 . PHE D 4 135 ? -33.978 30.274 -5.547 1.00 32.37 ? 141 PHE D CD1 1 -ATOM 4051 C CD2 . PHE D 4 135 ? -31.995 29.471 -4.469 1.00 27.82 ? 141 PHE D CD2 1 -ATOM 4052 C CE1 . PHE D 4 135 ? -34.732 29.983 -4.399 1.00 30.01 ? 141 PHE D CE1 1 -ATOM 4053 C CE2 . PHE D 4 135 ? -32.733 29.174 -3.317 1.00 34.01 ? 141 PHE D CE2 1 -ATOM 4054 C CZ . PHE D 4 135 ? -34.109 29.432 -3.283 1.00 29.91 ? 141 PHE D CZ 1 -ATOM 4055 N N . THR D 4 136 ? -32.960 33.677 -6.648 1.00 32.75 ? 142 THR D N 1 -ATOM 4056 C CA . THR D 4 136 ? -32.796 34.919 -5.928 1.00 32.06 ? 142 THR D CA 1 -ATOM 4057 C C . THR D 4 136 ? -34.027 35.271 -5.107 1.00 38.15 ? 142 THR D C 1 -ATOM 4058 O O . THR D 4 136 ? -35.034 34.553 -5.139 1.00 37.45 ? 142 THR D O 1 -ATOM 4059 C CB . THR D 4 136 ? -32.500 36.050 -6.961 1.00 30.99 ? 142 THR D CB 1 -ATOM 4060 O OG1 . THR D 4 136 ? -32.058 37.252 -6.302 1.00 33.63 ? 142 THR D OG1 1 -ATOM 4061 C CG2 . THR D 4 136 ? -33.740 36.333 -7.832 1.00 20.85 ? 142 THR D CG2 1 -ATOM 4062 N N . ASP D 4 137 ? -33.899 36.354 -4.335 1.00 44.05 ? 143 ASP D N 1 -ATOM 4063 C CA . ASP D 4 137 ? -34.958 36.915 -3.485 1.00 46.42 ? 143 ASP D CA 1 -ATOM 4064 C C . ASP D 4 137 ? -35.431 36.031 -2.350 1.00 47.22 ? 143 ASP D C 1 -ATOM 4065 O O . ASP D 4 137 ? -36.451 36.333 -1.716 1.00 48.82 ? 143 ASP D O 1 -ATOM 4066 C CB . ASP D 4 137 ? -36.180 37.337 -4.329 1.00 50.12 ? 143 ASP D CB 1 -ATOM 4067 C CG . ASP D 4 137 ? -35.900 38.533 -5.234 1.00 48.90 ? 143 ASP D CG 1 -ATOM 4068 O OD1 . ASP D 4 137 ? -34.860 39.195 -5.038 1.00 50.13 ? 143 ASP D OD1 1 -ATOM 4069 O OD2 . ASP D 4 137 ? -36.726 38.808 -6.135 1.00 44.68 ? 143 ASP D OD2 1 -ATOM 4070 N N . PHE D 4 138 ? -34.719 34.934 -2.106 1.00 47.67 ? 144 PHE D N 1 -ATOM 4071 C CA . PHE D 4 138 ? -35.105 34.010 -1.043 1.00 49.81 ? 144 PHE D CA 1 -ATOM 4072 C C . PHE D 4 138 ? -34.782 34.502 0.373 1.00 54.02 ? 144 PHE D C 1 -ATOM 4073 O O . PHE D 4 138 ? -34.138 35.552 0.550 1.00 53.74 ? 144 PHE D O 1 -ATOM 4074 C CB . PHE D 4 138 ? -34.566 32.582 -1.294 1.00 41.75 ? 144 PHE D CB 1 -ATOM 4075 C CG . PHE D 4 138 ? -33.083 32.502 -1.511 1.00 38.59 ? 144 PHE D CG 1 -ATOM 4076 C CD1 . PHE D 4 138 ? -32.210 32.378 -0.433 1.00 42.40 ? 144 PHE D CD1 1 -ATOM 4077 C CD2 . PHE D 4 138 ? -32.560 32.526 -2.799 1.00 39.81 ? 144 PHE D CD2 1 -ATOM 4078 C CE1 . PHE D 4 138 ? -30.833 32.281 -0.639 1.00 43.97 ? 144 PHE D CE1 1 -ATOM 4079 C CE2 . PHE D 4 138 ? -31.195 32.432 -3.019 1.00 39.49 ? 144 PHE D CE2 1 -ATOM 4080 C CZ . PHE D 4 138 ? -30.324 32.308 -1.936 1.00 42.26 ? 144 PHE D CZ 1 -ATOM 4081 N N . ASP D 4 139 ? -35.296 33.779 1.370 1.00 58.88 ? 145 ASP D N 1 -ATOM 4082 C CA . ASP D 4 139 ? -35.070 34.130 2.766 1.00 62.55 ? 145 ASP D CA 1 -ATOM 4083 C C . ASP D 4 139 ? -33.716 33.612 3.220 1.00 62.23 ? 145 ASP D C 1 -ATOM 4084 O O . ASP D 4 139 ? -33.306 32.510 2.842 1.00 60.60 ? 145 ASP D O 1 -ATOM 4085 C CB . ASP D 4 139 ? -36.157 33.526 3.667 1.00 69.87 ? 145 ASP D CB 1 -ATOM 4086 C CG . ASP D 4 139 ? -36.244 34.222 5.035 1.00 74.49 ? 145 ASP D CG 1 -ATOM 4087 O OD1 . ASP D 4 139 ? -36.511 35.444 5.063 1.00 76.84 ? 145 ASP D OD1 1 -ATOM 4088 O OD2 . ASP D 4 139 ? -36.053 33.559 6.078 1.00 77.25 ? 145 ASP D OD2 1 -ATOM 4089 N N . SER D 4 140 ? -33.065 34.380 4.092 1.00 62.21 ? 146 SER D N 1 -ATOM 4090 C CA . SER D 4 140 ? -31.758 34.029 4.652 1.00 59.13 ? 146 SER D CA 1 -ATOM 4091 C C . SER D 4 140 ? -31.851 32.761 5.522 1.00 53.53 ? 146 SER D C 1 -ATOM 4092 O O . SER D 4 140 ? -30.895 32.345 6.177 1.00 45.77 ? 146 SER D O 1 -ATOM 4093 C CB . SER D 4 140 ? -31.185 35.230 5.444 1.00 59.22 ? 146 SER D CB 1 -ATOM 4094 O OG . SER D 4 140 ? -30.930 36.361 4.608 1.00 54.44 ? 146 SER D OG 1 -ATOM 4095 N N . GLN D 4 141 ? -33.010 32.123 5.470 1.00 54.88 ? 147 GLN D N 1 -ATOM 4096 C CA . GLN D 4 141 ? -33.311 30.902 6.199 1.00 63.83 ? 147 GLN D CA 1 -ATOM 4097 C C . GLN D 4 141 ? -32.951 29.694 5.340 1.00 64.71 ? 147 GLN D C 1 -ATOM 4098 O O . GLN D 4 141 ? -32.523 28.656 5.868 1.00 64.30 ? 147 GLN D O 1 -ATOM 4099 C CB . GLN D 4 141 ? -34.810 30.833 6.433 1.00 72.32 ? 147 GLN D CB 1 -ATOM 4100 C CG . GLN D 4 141 ? -35.209 30.585 7.862 1.00 86.51 ? 147 GLN D CG 1 -ATOM 4101 C CD . GLN D 4 141 ? -36.675 30.629 8.024 1.00 93.13 ? 147 GLN D CD 1 -ATOM 4102 O OE1 . GLN D 4 141 ? -37.257 31.712 8.229 1.00 96.59 ? 147 GLN D OE1 1 -ATOM 4103 N NE2 . GLN D 4 141 ? -37.354 29.468 7.886 1.00 97.03 ? 147 GLN D NE2 1 -ATOM 4104 N N . THR D 4 142 ? -33.142 29.838 4.026 1.00 65.31 ? 148 THR D N 1 -ATOM 4105 C CA . THR D 4 142 ? -32.857 28.800 3.040 1.00 61.63 ? 148 THR D CA 1 -ATOM 4106 C C . THR D 4 142 ? -31.365 28.678 2.803 1.00 63.43 ? 148 THR D C 1 -ATOM 4107 O O . THR D 4 142 ? -30.715 29.631 2.406 1.00 65.00 ? 148 THR D O 1 -ATOM 4108 C CB . THR D 4 142 ? -33.563 29.106 1.715 1.00 56.66 ? 148 THR D CB 1 -ATOM 4109 O OG1 . THR D 4 142 ? -34.901 29.515 1.999 1.00 53.75 ? 148 THR D OG1 1 -ATOM 4110 C CG2 . THR D 4 142 ? -33.558 27.858 0.838 1.00 52.94 ? 148 THR D CG2 1 -ATOM 4111 N N . ASN D 4 143 ? -30.841 27.460 2.961 1.00 66.27 ? 149 ASN D N 1 -ATOM 4112 C CA . ASN D 4 143 ? -29.391 27.221 2.859 1.00 65.41 ? 149 ASN D CA 1 -ATOM 4113 C C . ASN D 4 143 ? -28.679 27.098 1.521 1.00 67.35 ? 149 ASN D C 1 -ATOM 4114 O O . ASN D 4 143 ? -27.504 27.439 1.443 1.00 73.65 ? 149 ASN D O 1 -ATOM 4115 C CB . ASN D 4 143 ? -28.966 26.085 3.773 1.00 57.49 ? 149 ASN D CB 1 -ATOM 4116 C CG . ASN D 4 143 ? -28.979 26.485 5.230 1.00 54.53 ? 149 ASN D CG 1 -ATOM 4117 O OD1 . ASN D 4 143 ? -28.130 27.266 5.683 1.00 46.13 ? 149 ASN D OD1 1 -ATOM 4118 N ND2 . ASN D 4 143 ? -29.922 25.942 5.980 1.00 53.63 ? 149 ASN D ND2 1 -ATOM 4119 N N . VAL D 4 144 ? -29.344 26.622 0.477 1.00 63.71 ? 150 VAL D N 1 -ATOM 4120 C CA . VAL D 4 144 ? -28.697 26.430 -0.851 1.00 60.47 ? 150 VAL D CA 1 -ATOM 4121 C C . VAL D 4 144 ? -27.754 25.258 -0.924 1.00 60.31 ? 150 VAL D C 1 -ATOM 4122 O O . VAL D 4 144 ? -26.608 25.274 -0.457 1.00 57.89 ? 150 VAL D O 1 -ATOM 4123 C CB . VAL D 4 144 ? -28.032 27.688 -1.480 1.00 58.82 ? 150 VAL D CB 1 -ATOM 4124 C CG1 . VAL D 4 144 ? -26.565 27.856 -1.088 1.00 59.73 ? 150 VAL D CG1 1 -ATOM 4125 C CG2 . VAL D 4 144 ? -28.116 27.548 -2.983 1.00 59.53 ? 150 VAL D CG2 1 -ATOM 4126 N N . SER D 4 145 ? -28.267 24.220 -1.535 1.00 64.15 ? 151 SER D N 1 -ATOM 4127 C CA . SER D 4 145 ? -27.547 22.997 -1.721 1.00 67.91 ? 151 SER D CA 1 -ATOM 4128 C C . SER D 4 145 ? -26.740 23.032 -2.993 1.00 71.39 ? 151 SER D C 1 -ATOM 4129 O O . SER D 4 145 ? -27.234 23.456 -4.040 1.00 73.52 ? 151 SER D O 1 -ATOM 4130 C CB . SER D 4 145 ? -28.557 21.927 -1.848 1.00 66.78 ? 151 SER D CB 1 -ATOM 4131 O OG . SER D 4 145 ? -29.568 22.426 -2.735 1.00 68.02 ? 151 SER D OG 1 -ATOM 4132 N N . GLN D 4 146 ? -25.549 22.458 -2.936 1.00 75.03 ? 152 GLN D N 1 -ATOM 4133 C CA . GLN D 4 146 ? -24.696 22.463 -4.100 1.00 81.22 ? 152 GLN D CA 1 -ATOM 4134 C C . GLN D 4 146 ? -25.041 21.375 -5.118 1.00 84.18 ? 152 GLN D C 1 -ATOM 4135 O O . GLN D 4 146 ? -26.044 20.661 -4.982 1.00 86.52 ? 152 GLN D O 1 -ATOM 4136 C CB . GLN D 4 146 ? -23.226 22.368 -3.696 1.00 80.93 ? 152 GLN D CB 1 -ATOM 4137 C CG . GLN D 4 146 ? -22.351 23.154 -4.634 1.00 84.76 ? 152 GLN D CG 1 -ATOM 4138 C CD . GLN D 4 146 ? -20.943 23.259 -4.163 1.00 87.61 ? 152 GLN D CD 1 -ATOM 4139 O OE1 . GLN D 4 146 ? -20.148 22.338 -4.343 1.00 92.70 ? 152 GLN D OE1 1 -ATOM 4140 N NE2 . GLN D 4 146 ? -20.604 24.398 -3.573 1.00 88.99 ? 152 GLN D NE2 1 -ATOM 4141 N N . SER D 4 147 ? -24.224 21.308 -6.168 1.00 86.01 ? 153 SER D N 1 -ATOM 4142 C CA . SER D 4 147 ? -24.355 20.347 -7.270 1.00 85.05 ? 153 SER D CA 1 -ATOM 4143 C C . SER D 4 147 ? -24.605 18.908 -6.793 1.00 82.01 ? 153 SER D C 1 -ATOM 4144 O O . SER D 4 147 ? -24.042 18.485 -5.783 1.00 84.24 ? 153 SER D O 1 -ATOM 4145 C CB . SER D 4 147 ? -23.055 20.401 -8.091 1.00 86.46 ? 153 SER D CB 1 -ATOM 4146 O OG . SER D 4 147 ? -22.311 21.586 -7.824 1.00 83.41 ? 153 SER D OG 1 -ATOM 4147 N N . LYS D 4 148 ? -25.434 18.163 -7.519 1.00 77.37 ? 154 LYS D N 1 -ATOM 4148 C CA . LYS D 4 148 ? -25.722 16.753 -7.198 1.00 70.55 ? 154 LYS D CA 1 -ATOM 4149 C C . LYS D 4 148 ? -25.069 15.927 -8.292 1.00 67.13 ? 154 LYS D C 1 -ATOM 4150 O O . LYS D 4 148 ? -24.401 14.916 -8.043 1.00 63.76 ? 154 LYS D O 1 -ATOM 4151 C CB . LYS D 4 148 ? -27.251 16.520 -7.214 1.00 69.37 ? 154 LYS D CB 1 -ATOM 4152 N N . ASP D 4 149 ? -25.158 16.455 -9.498 1.00 63.13 ? 155 ASP D N 1 -ATOM 4153 C CA . ASP D 4 149 ? -24.658 15.897 -10.711 1.00 57.75 ? 155 ASP D CA 1 -ATOM 4154 C C . ASP D 4 149 ? -23.329 16.622 -10.906 1.00 55.60 ? 155 ASP D C 1 -ATOM 4155 O O . ASP D 4 149 ? -23.317 17.848 -11.051 1.00 55.83 ? 155 ASP D O 1 -ATOM 4156 C CB . ASP D 4 149 ? -25.599 16.316 -11.828 1.00 62.70 ? 155 ASP D CB 1 -ATOM 4157 C CG . ASP D 4 149 ? -25.308 15.592 -13.109 1.00 65.37 ? 155 ASP D CG 1 -ATOM 4158 O OD1 . ASP D 4 149 ? -24.112 15.452 -13.456 1.00 67.85 ? 155 ASP D OD1 1 -ATOM 4159 O OD2 . ASP D 4 149 ? -26.294 15.128 -13.755 1.00 60.67 ? 155 ASP D OD2 1 -ATOM 4160 N N . SER D 4 150 ? -22.246 15.878 -11.083 1.00 54.10 ? 156 SER D N 1 -ATOM 4161 C CA . SER D 4 150 ? -20.917 16.479 -11.251 1.00 58.15 ? 156 SER D CA 1 -ATOM 4162 C C . SER D 4 150 ? -20.783 17.428 -12.451 1.00 60.82 ? 156 SER D C 1 -ATOM 4163 O O . SER D 4 150 ? -19.890 18.270 -12.472 1.00 63.25 ? 156 SER D O 1 -ATOM 4164 C CB . SER D 4 150 ? -19.864 15.363 -11.346 1.00 59.24 ? 156 SER D CB 1 -ATOM 4165 N N . ASP D 4 151 ? -21.671 17.285 -13.434 1.00 61.98 ? 157 ASP D N 1 -ATOM 4166 C CA . ASP D 4 151 ? -21.641 18.114 -14.650 1.00 61.23 ? 157 ASP D CA 1 -ATOM 4167 C C . ASP D 4 151 ? -22.595 19.306 -14.587 1.00 52.20 ? 157 ASP D C 1 -ATOM 4168 O O . ASP D 4 151 ? -23.035 19.805 -15.619 1.00 48.42 ? 157 ASP D O 1 -ATOM 4169 C CB . ASP D 4 151 ? -22.002 17.270 -15.889 1.00 72.42 ? 157 ASP D CB 1 -ATOM 4170 C CG . ASP D 4 151 ? -21.056 16.103 -16.119 1.00 81.51 ? 157 ASP D CG 1 -ATOM 4171 O OD1 . ASP D 4 151 ? -19.847 16.218 -15.761 1.00 87.89 ? 157 ASP D OD1 1 -ATOM 4172 O OD2 . ASP D 4 151 ? -21.533 15.077 -16.688 1.00 83.64 ? 157 ASP D OD2 1 -ATOM 4173 N N . VAL D 4 152 ? -22.940 19.731 -13.381 1.00 44.54 ? 158 VAL D N 1 -ATOM 4174 C CA . VAL D 4 152 ? -23.862 20.838 -13.204 1.00 46.01 ? 158 VAL D CA 1 -ATOM 4175 C C . VAL D 4 152 ? -23.342 21.668 -12.049 1.00 47.36 ? 158 VAL D C 1 -ATOM 4176 O O . VAL D 4 152 ? -23.242 21.150 -10.935 1.00 53.09 ? 158 VAL D O 1 -ATOM 4177 C CB . VAL D 4 152 ? -25.263 20.323 -12.817 1.00 40.31 ? 158 VAL D CB 1 -ATOM 4178 C CG1 . VAL D 4 152 ? -26.278 21.394 -13.032 1.00 46.43 ? 158 VAL D CG1 1 -ATOM 4179 C CG2 . VAL D 4 152 ? -25.621 19.126 -13.622 1.00 38.69 ? 158 VAL D CG2 1 -ATOM 4180 N N . TYR D 4 153 ? -23.075 22.954 -12.284 1.00 43.27 ? 159 TYR D N 1 -ATOM 4181 C CA . TYR D 4 153 ? -22.525 23.820 -11.239 1.00 41.09 ? 159 TYR D CA 1 -ATOM 4182 C C . TYR D 4 153 ? -23.475 24.767 -10.506 1.00 37.95 ? 159 TYR D C 1 -ATOM 4183 O O . TYR D 4 153 ? -24.263 25.472 -11.114 1.00 36.45 ? 159 TYR D O 1 -ATOM 4184 C CB . TYR D 4 153 ? -21.343 24.608 -11.796 1.00 43.80 ? 159 TYR D CB 1 -ATOM 4185 C CG . TYR D 4 153 ? -20.383 23.731 -12.543 1.00 43.92 ? 159 TYR D CG 1 -ATOM 4186 C CD1 . TYR D 4 153 ? -19.431 22.974 -11.865 1.00 41.04 ? 159 TYR D CD1 1 -ATOM 4187 C CD2 . TYR D 4 153 ? -20.486 23.580 -13.920 1.00 46.30 ? 159 TYR D CD2 1 -ATOM 4188 C CE1 . TYR D 4 153 ? -18.618 22.075 -12.536 1.00 45.33 ? 159 TYR D CE1 1 -ATOM 4189 C CE2 . TYR D 4 153 ? -19.668 22.678 -14.609 1.00 47.22 ? 159 TYR D CE2 1 -ATOM 4190 C CZ . TYR D 4 153 ? -18.740 21.926 -13.911 1.00 42.90 ? 159 TYR D CZ 1 -ATOM 4191 O OH . TYR D 4 153 ? -17.970 20.997 -14.583 1.00 44.67 ? 159 TYR D OH 1 -ATOM 4192 N N . ILE D 4 154 ? -23.371 24.793 -9.185 1.00 38.17 ? 160 ILE D N 1 -ATOM 4193 C CA . ILE D 4 154 ? -24.211 25.660 -8.359 1.00 37.75 ? 160 ILE D CA 1 -ATOM 4194 C C . ILE D 4 154 ? -23.257 26.436 -7.463 1.00 37.94 ? 160 ILE D C 1 -ATOM 4195 O O . ILE D 4 154 ? -22.303 25.861 -6.939 1.00 39.89 ? 160 ILE D O 1 -ATOM 4196 C CB . ILE D 4 154 ? -25.217 24.843 -7.475 1.00 33.42 ? 160 ILE D CB 1 -ATOM 4197 C CG1 . ILE D 4 154 ? -25.982 23.821 -8.327 1.00 29.82 ? 160 ILE D CG1 1 -ATOM 4198 C CG2 . ILE D 4 154 ? -26.216 25.782 -6.806 1.00 31.46 ? 160 ILE D CG2 1 -ATOM 4199 C CD1 . ILE D 4 154 ? -27.122 23.122 -7.599 1.00 22.62 ? 160 ILE D CD1 1 -ATOM 4200 N N . THR D 4 155 ? -23.486 27.737 -7.312 1.00 37.40 ? 161 THR D N 1 -ATOM 4201 C CA . THR D 4 155 ? -22.623 28.574 -6.486 1.00 37.67 ? 161 THR D CA 1 -ATOM 4202 C C . THR D 4 155 ? -23.173 28.705 -5.067 1.00 41.30 ? 161 THR D C 1 -ATOM 4203 O O . THR D 4 155 ? -24.354 28.438 -4.830 1.00 40.15 ? 161 THR D O 1 -ATOM 4204 C CB . THR D 4 155 ? -22.464 29.976 -7.104 1.00 35.98 ? 161 THR D CB 1 -ATOM 4205 O OG1 . THR D 4 155 ? -23.740 30.624 -7.191 1.00 35.51 ? 161 THR D OG1 1 -ATOM 4206 C CG2 . THR D 4 155 ? -21.890 29.866 -8.496 1.00 38.05 ? 161 THR D CG2 1 -ATOM 4207 N N . ASP D 4 156 ? -22.313 29.086 -4.123 1.00 45.51 ? 162 ASP D N 1 -ATOM 4208 C CA . ASP D 4 156 ? -22.739 29.264 -2.737 1.00 52.05 ? 162 ASP D CA 1 -ATOM 4209 C C . ASP D 4 156 ? -23.423 30.625 -2.602 1.00 52.64 ? 162 ASP D C 1 -ATOM 4210 O O . ASP D 4 156 ? -22.952 31.625 -3.162 1.00 51.94 ? 162 ASP D O 1 -ATOM 4211 C CB . ASP D 4 156 ? -21.556 29.124 -1.759 1.00 54.63 ? 162 ASP D CB 1 -ATOM 4212 C CG . ASP D 4 156 ? -21.236 27.659 -1.424 1.00 60.83 ? 162 ASP D CG 1 -ATOM 4213 O OD1 . ASP D 4 156 ? -22.178 26.827 -1.353 1.00 64.70 ? 162 ASP D OD1 1 -ATOM 4214 O OD2 . ASP D 4 156 ? -20.046 27.333 -1.219 1.00 63.17 ? 162 ASP D OD2 1 -ATOM 4215 N N . LYS D 4 157 ? -24.559 30.634 -1.906 1.00 51.38 ? 163 LYS D N 1 -ATOM 4216 C CA . LYS D 4 157 ? -25.350 31.844 -1.708 1.00 50.13 ? 163 LYS D CA 1 -ATOM 4217 C C . LYS D 4 157 ? -24.562 33.057 -1.206 1.00 49.01 ? 163 LYS D C 1 -ATOM 4218 O O . LYS D 4 157 ? -23.632 32.922 -0.412 1.00 52.16 ? 163 LYS D O 1 -ATOM 4219 C CB . LYS D 4 157 ? -26.533 31.551 -0.778 1.00 45.56 ? 163 LYS D CB 1 -ATOM 4220 N N . THR D 4 158 ? -24.915 34.232 -1.724 1.00 48.52 ? 164 THR D N 1 -ATOM 4221 C CA . THR D 4 158 ? -24.301 35.495 -1.329 1.00 46.88 ? 164 THR D CA 1 -ATOM 4222 C C . THR D 4 158 ? -25.408 36.529 -1.167 1.00 44.46 ? 164 THR D C 1 -ATOM 4223 O O . THR D 4 158 ? -26.560 36.294 -1.520 1.00 46.08 ? 164 THR D O 1 -ATOM 4224 C CB . THR D 4 158 ? -23.265 36.031 -2.366 1.00 49.98 ? 164 THR D CB 1 -ATOM 4225 O OG1 . THR D 4 158 ? -23.914 36.323 -3.611 1.00 53.10 ? 164 THR D OG1 1 -ATOM 4226 C CG2 . THR D 4 158 ? -22.145 35.033 -2.588 1.00 53.67 ? 164 THR D CG2 1 -ATOM 4227 N N . VAL D 4 159 ? -25.040 37.700 -0.681 1.00 44.27 ? 165 VAL D N 1 -ATOM 4228 C CA . VAL D 4 159 ? -26.010 38.753 -0.457 1.00 42.04 ? 165 VAL D CA 1 -ATOM 4229 C C . VAL D 4 159 ? -25.596 40.038 -1.174 1.00 39.80 ? 165 VAL D C 1 -ATOM 4230 O O . VAL D 4 159 ? -24.454 40.465 -1.026 1.00 40.25 ? 165 VAL D O 1 -ATOM 4231 C CB . VAL D 4 159 ? -26.092 39.051 1.052 1.00 40.17 ? 165 VAL D CB 1 -ATOM 4232 C CG1 . VAL D 4 159 ? -27.257 39.979 1.347 1.00 42.10 ? 165 VAL D CG1 1 -ATOM 4233 C CG2 . VAL D 4 159 ? -26.210 37.759 1.837 1.00 37.73 ? 165 VAL D CG2 1 -ATOM 4234 N N . LEU D 4 160 ? -26.504 40.644 -1.948 1.00 36.12 ? 166 LEU D N 1 -ATOM 4235 C CA . LEU D 4 160 ? -26.212 41.913 -2.634 1.00 35.16 ? 166 LEU D CA 1 -ATOM 4236 C C . LEU D 4 160 ? -27.038 43.084 -2.093 1.00 34.88 ? 166 LEU D C 1 -ATOM 4237 O O . LEU D 4 160 ? -28.250 42.984 -1.896 1.00 32.93 ? 166 LEU D O 1 -ATOM 4238 C CB . LEU D 4 160 ? -26.353 41.795 -4.163 1.00 39.17 ? 166 LEU D CB 1 -ATOM 4239 C CG . LEU D 4 160 ? -27.658 41.839 -4.958 1.00 36.92 ? 166 LEU D CG 1 -ATOM 4240 C CD1 . LEU D 4 160 ? -28.226 43.250 -5.005 1.00 34.01 ? 166 LEU D CD1 1 -ATOM 4241 C CD2 . LEU D 4 160 ? -27.337 41.367 -6.368 1.00 42.72 ? 166 LEU D CD2 1 -ATOM 4242 N N . ASP D 4 161 ? -26.363 44.201 -1.886 1.00 37.14 ? 167 ASP D N 1 -ATOM 4243 C CA . ASP D 4 161 ? -26.974 45.383 -1.343 1.00 43.19 ? 167 ASP D CA 1 -ATOM 4244 C C . ASP D 4 161 ? -27.144 46.541 -2.331 1.00 46.77 ? 167 ASP D C 1 -ATOM 4245 O O . ASP D 4 161 ? -26.345 46.735 -3.243 1.00 48.39 ? 167 ASP D O 1 -ATOM 4246 C CB . ASP D 4 161 ? -26.134 45.795 -0.130 1.00 52.35 ? 167 ASP D CB 1 -ATOM 4247 C CG . ASP D 4 161 ? -26.735 46.939 0.647 1.00 63.33 ? 167 ASP D CG 1 -ATOM 4248 O OD1 . ASP D 4 161 ? -27.883 46.806 1.123 1.00 63.47 ? 167 ASP D OD1 1 -ATOM 4249 O OD2 . ASP D 4 161 ? -26.031 47.958 0.798 1.00 73.27 ? 167 ASP D OD2 1 -ATOM 4250 N N . MET D 4 162 ? -28.218 47.308 -2.162 1.00 51.15 ? 168 MET D N 1 -ATOM 4251 C CA . MET D 4 162 ? -28.551 48.450 -3.007 1.00 55.32 ? 168 MET D CA 1 -ATOM 4252 C C . MET D 4 162 ? -28.832 49.684 -2.187 1.00 61.27 ? 168 MET D C 1 -ATOM 4253 O O . MET D 4 162 ? -29.685 49.691 -1.305 1.00 64.15 ? 168 MET D O 1 -ATOM 4254 C CB . MET D 4 162 ? -29.773 48.106 -3.875 1.00 52.39 ? 168 MET D CB 1 -ATOM 4255 C CG . MET D 4 162 ? -29.570 46.874 -4.787 1.00 51.76 ? 168 MET D CG 1 -ATOM 4256 S SD . MET D 4 162 ? -31.012 46.128 -5.693 1.00 48.79 ? 168 MET D SD 1 -ATOM 4257 C CE . MET D 4 162 ? -31.373 47.321 -6.975 1.00 51.56 ? 168 MET D CE 1 -ATOM 4258 N N . ARG D 4 163 ? -28.292 50.820 -2.623 1.00 68.83 ? 169 ARG D N 1 -ATOM 4259 C CA . ARG D 4 163 ? -28.423 52.046 -1.865 1.00 77.57 ? 169 ARG D CA 1 -ATOM 4260 C C . ARG D 4 163 ? -29.683 52.923 -1.972 1.00 84.12 ? 169 ARG D C 1 -ATOM 4261 O O . ARG D 4 163 ? -29.593 54.047 -2.442 1.00 87.01 ? 169 ARG D O 1 -ATOM 4262 C CB . ARG D 4 163 ? -27.187 52.857 -2.068 1.00 77.60 ? 169 ARG D CB 1 -ATOM 4263 N N . PHE D 4 167 ? -32.166 47.924 -0.855 1.00 50.31 ? 173 PHE D N 1 -ATOM 4264 C CA . PHE D 4 167 ? -32.683 46.550 -1.071 1.00 43.92 ? 173 PHE D CA 1 -ATOM 4265 C C . PHE D 4 167 ? -31.570 45.546 -0.859 1.00 41.57 ? 173 PHE D C 1 -ATOM 4266 O O . PHE D 4 167 ? -30.449 45.751 -1.303 1.00 43.03 ? 173 PHE D O 1 -ATOM 4267 C CB . PHE D 4 167 ? -33.192 46.412 -2.503 1.00 48.64 ? 173 PHE D CB 1 -ATOM 4268 C CG . PHE D 4 167 ? -33.940 45.152 -2.755 1.00 52.10 ? 173 PHE D CG 1 -ATOM 4269 C CD1 . PHE D 4 167 ? -35.282 45.073 -2.426 1.00 56.08 ? 173 PHE D CD1 1 -ATOM 4270 C CD2 . PHE D 4 167 ? -33.311 44.044 -3.309 1.00 53.88 ? 173 PHE D CD2 1 -ATOM 4271 C CE1 . PHE D 4 167 ? -35.996 43.913 -2.639 1.00 61.95 ? 173 PHE D CE1 1 -ATOM 4272 C CE2 . PHE D 4 167 ? -34.013 42.876 -3.530 1.00 57.32 ? 173 PHE D CE2 1 -ATOM 4273 C CZ . PHE D 4 167 ? -35.360 42.806 -3.195 1.00 61.53 ? 173 PHE D CZ 1 -ATOM 4274 N N . LYS D 4 168 ? -31.887 44.465 -0.175 1.00 37.62 ? 174 LYS D N 1 -ATOM 4275 C CA . LYS D 4 168 ? -30.924 43.414 0.050 1.00 35.95 ? 174 LYS D CA 1 -ATOM 4276 C C . LYS D 4 168 ? -31.560 42.163 -0.523 1.00 38.43 ? 174 LYS D C 1 -ATOM 4277 O O . LYS D 4 168 ? -32.765 41.938 -0.323 1.00 36.33 ? 174 LYS D O 1 -ATOM 4278 C CB . LYS D 4 168 ? -30.669 43.227 1.539 1.00 35.55 ? 174 LYS D CB 1 -ATOM 4279 C CG . LYS D 4 168 ? -29.821 44.304 2.144 1.00 36.99 ? 174 LYS D CG 1 -ATOM 4280 C CD . LYS D 4 168 ? -29.064 43.774 3.350 1.00 33.69 ? 174 LYS D CD 1 -ATOM 4281 C CE . LYS D 4 168 ? -27.996 44.774 3.770 1.00 39.27 ? 174 LYS D CE 1 -ATOM 4282 N NZ . LYS D 4 168 ? -26.855 44.149 4.475 1.00 32.91 ? 174 LYS D NZ 1 -ATOM 4283 N N . SER D 4 169 ? -30.797 41.402 -1.307 1.00 38.43 ? 175 SER D N 1 -ATOM 4284 C CA . SER D 4 169 ? -31.305 40.153 -1.888 1.00 33.76 ? 175 SER D CA 1 -ATOM 4285 C C . SER D 4 169 ? -30.330 38.966 -1.790 1.00 29.98 ? 175 SER D C 1 -ATOM 4286 O O . SER D 4 169 ? -29.106 39.141 -1.718 1.00 23.43 ? 175 SER D O 1 -ATOM 4287 C CB . SER D 4 169 ? -31.735 40.369 -3.335 1.00 32.87 ? 175 SER D CB 1 -ATOM 4288 O OG . SER D 4 169 ? -30.692 40.962 -4.090 1.00 50.52 ? 175 SER D OG 1 -ATOM 4289 N N . ASN D 4 170 ? -30.897 37.762 -1.752 1.00 36.06 ? 176 ASN D N 1 -ATOM 4290 C CA . ASN D 4 170 ? -30.119 36.520 -1.660 1.00 42.68 ? 176 ASN D CA 1 -ATOM 4291 C C . ASN D 4 170 ? -30.126 35.839 -3.024 1.00 44.84 ? 176 ASN D C 1 -ATOM 4292 O O . ASN D 4 170 ? -31.207 35.629 -3.603 1.00 44.50 ? 176 ASN D O 1 -ATOM 4293 C CB . ASN D 4 170 ? -30.746 35.568 -0.632 1.00 48.45 ? 176 ASN D CB 1 -ATOM 4294 C CG . ASN D 4 170 ? -30.317 35.862 0.794 1.00 53.33 ? 176 ASN D CG 1 -ATOM 4295 O OD1 . ASN D 4 170 ? -29.127 36.046 1.075 1.00 58.07 ? 176 ASN D OD1 1 -ATOM 4296 N ND2 . ASN D 4 170 ? -31.278 35.859 1.711 1.00 47.24 ? 176 ASN D ND2 1 -ATOM 4297 N N . SER D 4 171 ? -28.944 35.465 -3.519 1.00 43.21 ? 177 SER D N 1 -ATOM 4298 C CA . SER D 4 171 ? -28.827 34.826 -4.827 1.00 38.91 ? 177 SER D CA 1 -ATOM 4299 C C . SER D 4 171 ? -27.806 33.683 -4.901 1.00 36.51 ? 177 SER D C 1 -ATOM 4300 O O . SER D 4 171 ? -26.813 33.674 -4.184 1.00 38.37 ? 177 SER D O 1 -ATOM 4301 C CB . SER D 4 171 ? -28.532 35.897 -5.893 1.00 38.53 ? 177 SER D CB 1 -ATOM 4302 O OG . SER D 4 171 ? -27.695 36.941 -5.393 1.00 43.60 ? 177 SER D OG 1 -ATOM 4303 N N . ALA D 4 172 ? -28.084 32.699 -5.748 1.00 33.63 ? 178 ALA D N 1 -ATOM 4304 C CA . ALA D 4 172 ? -27.197 31.550 -5.962 1.00 30.68 ? 178 ALA D CA 1 -ATOM 4305 C C . ALA D 4 172 ? -27.385 31.219 -7.430 1.00 28.28 ? 178 ALA D C 1 -ATOM 4306 O O . ALA D 4 172 ? -28.511 31.250 -7.912 1.00 30.80 ? 178 ALA D O 1 -ATOM 4307 C CB . ALA D 4 172 ? -27.624 30.380 -5.101 1.00 25.43 ? 178 ALA D CB 1 -ATOM 4308 N N . VAL D 4 173 ? -26.304 30.974 -8.159 1.00 32.17 ? 179 VAL D N 1 -ATOM 4309 C CA . VAL D 4 173 ? -26.424 30.679 -9.593 1.00 39.76 ? 179 VAL D CA 1 -ATOM 4310 C C . VAL D 4 173 ? -26.153 29.213 -9.987 1.00 40.90 ? 179 VAL D C 1 -ATOM 4311 O O . VAL D 4 173 ? -25.279 28.559 -9.414 1.00 41.39 ? 179 VAL D O 1 -ATOM 4312 C CB . VAL D 4 173 ? -25.521 31.627 -10.441 1.00 39.55 ? 179 VAL D CB 1 -ATOM 4313 C CG1 . VAL D 4 173 ? -25.622 31.268 -11.898 1.00 43.06 ? 179 VAL D CG1 1 -ATOM 4314 C CG2 . VAL D 4 173 ? -25.926 33.091 -10.252 1.00 36.85 ? 179 VAL D CG2 1 -ATOM 4315 N N . ALA D 4 174 ? -26.907 28.716 -10.970 1.00 42.60 ? 180 ALA D N 1 -ATOM 4316 C CA . ALA D 4 174 ? -26.769 27.347 -11.476 1.00 43.08 ? 180 ALA D CA 1 -ATOM 4317 C C . ALA D 4 174 ? -26.621 27.279 -13.013 1.00 45.56 ? 180 ALA D C 1 -ATOM 4318 O O . ALA D 4 174 ? -27.407 27.867 -13.757 1.00 42.61 ? 180 ALA D O 1 -ATOM 4319 C CB . ALA D 4 174 ? -27.955 26.505 -11.038 1.00 37.83 ? 180 ALA D CB 1 -ATOM 4320 N N . TRP D 4 175 ? -25.613 26.550 -13.482 1.00 48.44 ? 181 TRP D N 1 -ATOM 4321 C CA . TRP D 4 175 ? -25.374 26.382 -14.919 1.00 49.79 ? 181 TRP D CA 1 -ATOM 4322 C C . TRP D 4 175 ? -24.743 25.015 -15.218 1.00 52.29 ? 181 TRP D C 1 -ATOM 4323 O O . TRP D 4 175 ? -24.040 24.438 -14.383 1.00 50.64 ? 181 TRP D O 1 -ATOM 4324 C CB . TRP D 4 175 ? -24.472 27.496 -15.462 1.00 48.77 ? 181 TRP D CB 1 -ATOM 4325 C CG . TRP D 4 175 ? -23.032 27.345 -15.103 1.00 41.62 ? 181 TRP D CG 1 -ATOM 4326 C CD1 . TRP D 4 175 ? -22.085 26.669 -15.815 1.00 45.22 ? 181 TRP D CD1 1 -ATOM 4327 C CD2 . TRP D 4 175 ? -22.371 27.868 -13.953 1.00 44.06 ? 181 TRP D CD2 1 -ATOM 4328 N NE1 . TRP D 4 175 ? -20.877 26.737 -15.172 1.00 47.99 ? 181 TRP D NE1 1 -ATOM 4329 C CE2 . TRP D 4 175 ? -21.017 27.470 -14.028 1.00 48.59 ? 181 TRP D CE2 1 -ATOM 4330 C CE3 . TRP D 4 175 ? -22.790 28.641 -12.855 1.00 46.73 ? 181 TRP D CE3 1 -ATOM 4331 C CZ2 . TRP D 4 175 ? -20.076 27.816 -13.048 1.00 48.93 ? 181 TRP D CZ2 1 -ATOM 4332 C CZ3 . TRP D 4 175 ? -21.852 28.985 -11.879 1.00 47.38 ? 181 TRP D CZ3 1 -ATOM 4333 C CH2 . TRP D 4 175 ? -20.510 28.572 -11.984 1.00 48.31 ? 181 TRP D CH2 1 -ATOM 4334 N N . SER D 4 176 ? -24.959 24.523 -16.430 1.00 57.61 ? 182 SER D N 1 -ATOM 4335 C CA . SER D 4 176 ? -24.423 23.235 -16.852 1.00 62.28 ? 182 SER D CA 1 -ATOM 4336 C C . SER D 4 176 ? -24.485 23.189 -18.365 1.00 69.51 ? 182 SER D C 1 -ATOM 4337 O O . SER D 4 176 ? -25.449 23.678 -18.963 1.00 74.34 ? 182 SER D O 1 -ATOM 4338 C CB . SER D 4 176 ? -25.278 22.100 -16.279 1.00 57.83 ? 182 SER D CB 1 -ATOM 4339 O OG . SER D 4 176 ? -24.935 20.840 -16.832 1.00 51.05 ? 182 SER D OG 1 -ATOM 4340 N N . ASN D 4 177 ? -23.446 22.648 -18.991 1.00 74.45 ? 183 ASN D N 1 -ATOM 4341 C CA . ASN D 4 177 ? -23.451 22.532 -20.441 1.00 77.22 ? 183 ASN D CA 1 -ATOM 4342 C C . ASN D 4 177 ? -24.020 21.173 -20.801 1.00 78.05 ? 183 ASN D C 1 -ATOM 4343 O O . ASN D 4 177 ? -23.341 20.337 -21.392 1.00 75.90 ? 183 ASN D O 1 -ATOM 4344 C CB . ASN D 4 177 ? -22.062 22.749 -21.069 1.00 78.72 ? 183 ASN D CB 1 -ATOM 4345 C CG . ASN D 4 177 ? -20.945 22.109 -20.276 1.00 81.68 ? 183 ASN D CG 1 -ATOM 4346 O OD1 . ASN D 4 177 ? -19.868 22.688 -20.136 1.00 81.25 ? 183 ASN D OD1 1 -ATOM 4347 N ND2 . ASN D 4 177 ? -21.188 20.917 -19.751 1.00 85.61 ? 183 ASN D ND2 1 -ATOM 4348 N N . LYS D 4 178 ? -25.254 20.943 -20.366 1.00 82.31 ? 184 LYS D N 1 -ATOM 4349 C CA . LYS D 4 178 ? -25.947 19.704 -20.654 1.00 89.58 ? 184 LYS D CA 1 -ATOM 4350 C C . LYS D 4 178 ? -27.076 19.992 -21.635 1.00 93.65 ? 184 LYS D C 1 -ATOM 4351 O O . LYS D 4 178 ? -27.355 21.157 -21.917 1.00 97.52 ? 184 LYS D O 1 -ATOM 4352 C CB . LYS D 4 178 ? -26.418 19.014 -19.372 1.00 89.90 ? 184 LYS D CB 1 -ATOM 4353 C CG . LYS D 4 178 ? -25.305 18.175 -18.755 1.00 91.28 ? 184 LYS D CG 1 -ATOM 4354 C CD . LYS D 4 178 ? -25.813 17.322 -17.629 1.00 96.76 ? 184 LYS D CD 1 -ATOM 4355 C CE . LYS D 4 178 ? -24.983 16.061 -17.482 1.00 99.09 ? 184 LYS D CE 1 -ATOM 4356 N NZ . LYS D 4 178 ? -25.551 15.211 -16.392 1.00 99.99 ? 184 LYS D NZ 1 -ATOM 4357 N N . SER D 4 179 ? -27.755 18.948 -22.115 1.00 96.10 ? 185 SER D N 1 -ATOM 4358 C CA . SER D 4 179 ? -28.809 19.070 -23.134 1.00 97.68 ? 185 SER D CA 1 -ATOM 4359 C C . SER D 4 179 ? -30.073 19.787 -22.664 1.00 99.70 ? 185 SER D C 1 -ATOM 4360 O O . SER D 4 179 ? -30.337 20.928 -23.065 1.00 100.00 ? 185 SER D O 1 -ATOM 4361 C CB . SER D 4 179 ? -29.148 17.691 -23.726 1.00 97.78 ? 185 SER D CB 1 -ATOM 4362 N N . ASP D 4 180 ? -30.849 19.125 -21.805 1.00 99.91 ? 186 ASP D N 1 -ATOM 4363 C CA . ASP D 4 180 ? -32.106 19.671 -21.279 1.00 99.98 ? 186 ASP D CA 1 -ATOM 4364 C C . ASP D 4 180 ? -32.085 19.975 -19.783 1.00 99.53 ? 186 ASP D C 1 -ATOM 4365 O O . ASP D 4 180 ? -33.094 19.825 -19.083 1.00 100.00 ? 186 ASP D O 1 -ATOM 4366 C CB . ASP D 4 180 ? -33.323 18.777 -21.649 1.00 100.00 ? 186 ASP D CB 1 -ATOM 4367 N N . PHE D 4 181 ? -30.896 20.286 -19.264 1.00 95.55 ? 187 PHE D N 1 -ATOM 4368 C CA . PHE D 4 181 ? -30.737 20.647 -17.853 1.00 88.61 ? 187 PHE D CA 1 -ATOM 4369 C C . PHE D 4 181 ? -31.633 21.869 -17.881 1.00 85.15 ? 187 PHE D C 1 -ATOM 4370 O O . PHE D 4 181 ? -31.536 22.666 -18.811 1.00 88.50 ? 187 PHE D O 1 -ATOM 4371 C CB . PHE D 4 181 ? -29.284 21.056 -17.575 1.00 88.19 ? 187 PHE D CB 1 -ATOM 4372 C CG . PHE D 4 181 ? -29.130 22.327 -16.736 1.00 88.69 ? 187 PHE D CG 1 -ATOM 4373 C CD1 . PHE D 4 181 ? -29.482 23.577 -17.251 1.00 91.19 ? 187 PHE D CD1 1 -ATOM 4374 C CD2 . PHE D 4 181 ? -28.585 22.275 -15.457 1.00 90.75 ? 187 PHE D CD2 1 -ATOM 4375 C CE1 . PHE D 4 181 ? -29.308 24.737 -16.524 1.00 93.48 ? 187 PHE D CE1 1 -ATOM 4376 C CE2 . PHE D 4 181 ? -28.401 23.450 -14.708 1.00 92.07 ? 187 PHE D CE2 1 -ATOM 4377 C CZ . PHE D 4 181 ? -28.757 24.676 -15.241 1.00 95.50 ? 187 PHE D CZ 1 -ATOM 4378 N N . ALA D 4 182 ? -32.493 22.026 -16.900 1.00 79.00 ? 188 ALA D N 1 -ATOM 4379 C CA . ALA D 4 182 ? -33.401 23.156 -16.879 1.00 73.74 ? 188 ALA D CA 1 -ATOM 4380 C C . ALA D 4 182 ? -33.474 23.715 -15.502 1.00 71.47 ? 188 ALA D C 1 -ATOM 4381 O O . ALA D 4 182 ? -33.297 22.982 -14.532 1.00 66.77 ? 188 ALA D O 1 -ATOM 4382 C CB . ALA D 4 182 ? -34.790 22.769 -17.402 1.00 77.69 ? 188 ALA D CB 1 -ATOM 4383 N N . CYS D 4 183 ? -33.645 25.029 -15.424 1.00 72.83 ? 189 CYS D N 1 -ATOM 4384 C CA . CYS D 4 183 ? -33.776 25.720 -14.155 1.00 75.94 ? 189 CYS D CA 1 -ATOM 4385 C C . CYS D 4 183 ? -34.670 24.924 -13.219 1.00 79.23 ? 189 CYS D C 1 -ATOM 4386 O O . CYS D 4 183 ? -34.296 24.630 -12.070 1.00 79.10 ? 189 CYS D O 1 -ATOM 4387 C CB . CYS D 4 183 ? -34.301 27.153 -14.350 1.00 69.93 ? 189 CYS D CB 1 -ATOM 4388 S SG . CYS D 4 183 ? -33.020 28.229 -15.050 1.00 65.49 ? 189 CYS D SG 1 -ATOM 4389 N N . ALA D 4 184 ? -35.784 24.462 -13.779 1.00 80.24 ? 190 ALA D N 1 -ATOM 4390 C CA . ALA D 4 184 ? -36.768 23.677 -13.050 1.00 80.12 ? 190 ALA D CA 1 -ATOM 4391 C C . ALA D 4 184 ? -36.116 22.755 -12.015 1.00 80.70 ? 190 ALA D C 1 -ATOM 4392 O O . ALA D 4 184 ? -36.402 22.869 -10.825 1.00 80.38 ? 190 ALA D O 1 -ATOM 4393 C CB . ALA D 4 184 ? -37.607 22.858 -14.044 1.00 80.34 ? 190 ALA D CB 1 -ATOM 4394 N N . ASN D 4 185 ? -35.221 21.877 -12.470 1.00 82.13 ? 191 ASN D N 1 -ATOM 4395 C CA . ASN D 4 185 ? -34.532 20.946 -11.586 1.00 82.63 ? 191 ASN D CA 1 -ATOM 4396 C C . ASN D 4 185 ? -33.326 21.571 -10.897 1.00 83.43 ? 191 ASN D C 1 -ATOM 4397 O O . ASN D 4 185 ? -33.149 21.396 -9.699 1.00 88.93 ? 191 ASN D O 1 -ATOM 4398 C CB . ASN D 4 185 ? -34.106 19.715 -12.353 1.00 82.43 ? 191 ASN D CB 1 -ATOM 4399 N N . ALA D 4 186 ? -32.497 22.276 -11.663 1.00 81.09 ? 192 ALA D N 1 -ATOM 4400 C CA . ALA D 4 186 ? -31.287 22.937 -11.160 1.00 77.91 ? 192 ALA D CA 1 -ATOM 4401 C C . ALA D 4 186 ? -31.019 22.894 -9.653 1.00 78.40 ? 192 ALA D C 1 -ATOM 4402 O O . ALA D 4 186 ? -30.212 22.081 -9.191 1.00 80.50 ? 192 ALA D O 1 -ATOM 4403 C CB . ALA D 4 186 ? -31.232 24.360 -11.673 1.00 74.99 ? 192 ALA D CB 1 -ATOM 4404 N N . PHE D 4 187 ? -31.720 23.738 -8.899 1.00 78.94 ? 193 PHE D N 1 -ATOM 4405 C CA . PHE D 4 187 ? -31.566 23.798 -7.457 1.00 78.98 ? 193 PHE D CA 1 -ATOM 4406 C C . PHE D 4 187 ? -32.434 22.782 -6.738 1.00 79.32 ? 193 PHE D C 1 -ATOM 4407 O O . PHE D 4 187 ? -33.446 23.140 -6.135 1.00 78.70 ? 193 PHE D O 1 -ATOM 4408 C CB . PHE D 4 187 ? -31.876 25.213 -6.920 1.00 78.59 ? 193 PHE D CB 1 -ATOM 4409 C CG . PHE D 4 187 ? -31.071 26.310 -7.563 1.00 78.05 ? 193 PHE D CG 1 -ATOM 4410 C CD1 . PHE D 4 187 ? -31.487 26.886 -8.766 1.00 77.93 ? 193 PHE D CD1 1 -ATOM 4411 C CD2 . PHE D 4 187 ? -29.880 26.747 -6.991 1.00 74.62 ? 193 PHE D CD2 1 -ATOM 4412 C CE1 . PHE D 4 187 ? -30.725 27.870 -9.391 1.00 71.69 ? 193 PHE D CE1 1 -ATOM 4413 C CE2 . PHE D 4 187 ? -29.113 27.728 -7.605 1.00 70.78 ? 193 PHE D CE2 1 -ATOM 4414 C CZ . PHE D 4 187 ? -29.536 28.288 -8.808 1.00 73.94 ? 193 PHE D CZ 1 -ATOM 4415 N N . ASN D 4 188 ? -32.046 21.518 -6.857 1.00 82.55 ? 194 ASN D N 1 -ATOM 4416 C CA . ASN D 4 188 ? -32.739 20.441 -6.208 1.00 83.64 ? 194 ASN D CA 1 -ATOM 4417 C C . ASN D 4 188 ? -32.038 20.164 -4.856 1.00 84.70 ? 194 ASN D C 1 -ATOM 4418 O O . ASN D 4 188 ? -30.901 19.756 -4.817 1.00 84.31 ? 194 ASN D O 1 -ATOM 4419 C CB . ASN D 4 188 ? -32.769 19.183 -7.107 1.00 81.53 ? 194 ASN D CB 1 -ATOM 4420 N N . ASN D 4 189 ? -32.737 20.555 -3.805 1.00 84.45 ? 195 ASN D N 1 -ATOM 4421 C CA . ASN D 4 189 ? -32.452 20.462 -2.334 1.00 81.06 ? 195 ASN D CA 1 -ATOM 4422 C C . ASN D 4 189 ? -32.842 21.824 -1.670 1.00 80.91 ? 195 ASN D C 1 -ATOM 4423 O O . ASN D 4 189 ? -32.434 22.901 -2.138 1.00 74.80 ? 195 ASN D O 1 -ATOM 4424 C CB . ASN D 4 189 ? -30.972 20.270 -1.948 1.00 77.97 ? 195 ASN D CB 1 -ATOM 4425 C CG . ASN D 4 189 ? -30.252 19.107 -2.665 1.00 73.56 ? 195 ASN D CG 1 -ATOM 4426 O OD1 . ASN D 4 189 ? -30.674 17.935 -2.666 1.00 78.93 ? 195 ASN D OD1 1 -ATOM 4427 N ND2 . ASN D 4 189 ? -29.120 19.426 -3.275 1.00 72.56 ? 195 ASN D ND2 1 -ATOM 4428 N N . SER D 4 190 ? -33.791 21.760 -0.733 1.00 86.15 ? 196 SER D N 1 -ATOM 4429 C CA . SER D 4 190 ? -34.333 22.876 0.115 1.00 90.82 ? 196 SER D CA 1 -ATOM 4430 C C . SER D 4 190 ? -34.782 24.271 -0.388 1.00 93.03 ? 196 SER D C 1 -ATOM 4431 O O . SER D 4 190 ? -34.019 25.229 -0.298 1.00 97.67 ? 196 SER D O 1 -ATOM 4432 C CB . SER D 4 190 ? -33.441 23.095 1.369 1.00 92.60 ? 196 SER D CB 1 -ATOM 4433 O OG . SER D 4 190 ? -32.269 23.862 1.110 1.00 93.13 ? 196 SER D OG 1 -ATOM 4434 N N . ILE D 4 191 ? -36.066 24.417 -0.726 1.00 93.52 ? 197 ILE D N 1 -ATOM 4435 C CA . ILE D 4 191 ? -36.636 25.682 -1.234 1.00 91.13 ? 197 ILE D CA 1 -ATOM 4436 C C . ILE D 4 191 ? -38.173 25.660 -1.329 1.00 92.27 ? 197 ILE D C 1 -ATOM 4437 O O . ILE D 4 191 ? -38.812 24.648 -1.041 1.00 92.84 ? 197 ILE D O 1 -ATOM 4438 C CB . ILE D 4 191 ? -36.165 26.006 -2.701 1.00 89.63 ? 197 ILE D CB 1 -ATOM 4439 C CG1 . ILE D 4 191 ? -36.731 24.983 -3.701 1.00 87.35 ? 197 ILE D CG1 1 -ATOM 4440 C CG2 . ILE D 4 191 ? -34.656 26.056 -2.833 1.00 83.45 ? 197 ILE D CG2 1 -ATOM 4441 C CD1 . ILE D 4 191 ? -36.275 23.544 -3.488 1.00 87.71 ? 197 ILE D CD1 1 -ATOM 4442 N N . ILE D 4 192 ? -38.762 26.801 -1.678 1.00 92.29 ? 198 ILE D N 1 -ATOM 4443 C CA . ILE D 4 192 ? -40.201 26.885 -1.938 1.00 94.21 ? 198 ILE D CA 1 -ATOM 4444 C C . ILE D 4 192 ? -40.501 28.043 -2.904 1.00 97.08 ? 198 ILE D C 1 -ATOM 4445 O O . ILE D 4 192 ? -39.765 29.034 -2.931 1.00 98.58 ? 198 ILE D O 1 -ATOM 4446 C CB . ILE D 4 192 ? -41.101 27.109 -0.685 1.00 93.14 ? 198 ILE D CB 1 -ATOM 4447 C CG1 . ILE D 4 192 ? -41.249 25.844 0.169 1.00 93.17 ? 198 ILE D CG1 1 -ATOM 4448 C CG2 . ILE D 4 192 ? -42.527 27.456 -1.133 1.00 87.92 ? 198 ILE D CG2 1 -ATOM 4449 C CD1 . ILE D 4 192 ? -42.482 25.918 1.163 1.00 94.58 ? 198 ILE D CD1 1 -ATOM 4450 N N . PRO D 4 193 ? -41.516 27.836 -3.746 1.00 97.56 ? 199 PRO D N 1 -ATOM 4451 C CA . PRO D 4 193 ? -42.060 28.829 -4.687 1.00 93.12 ? 199 PRO D CA 1 -ATOM 4452 C C . PRO D 4 193 ? -41.326 29.458 -5.885 1.00 87.54 ? 199 PRO D C 1 -ATOM 4453 O O . PRO D 4 193 ? -40.127 29.308 -6.085 1.00 85.19 ? 199 PRO D O 1 -ATOM 4454 C CB . PRO D 4 193 ? -42.820 29.937 -3.893 1.00 91.11 ? 199 PRO D CB 1 -ATOM 4455 N N . GLU D 4 194 ? -42.175 30.077 -6.703 1.00 82.44 ? 200 GLU D N 1 -ATOM 4456 C CA . GLU D 4 194 ? -41.880 30.802 -7.937 1.00 79.45 ? 200 GLU D CA 1 -ATOM 4457 C C . GLU D 4 194 ? -40.942 30.244 -8.992 1.00 79.68 ? 200 GLU D C 1 -ATOM 4458 O O . GLU D 4 194 ? -39.829 30.715 -9.211 1.00 79.21 ? 200 GLU D O 1 -ATOM 4459 C CB . GLU D 4 194 ? -41.622 32.281 -7.673 1.00 76.70 ? 200 GLU D CB 1 -ATOM 4460 C CG . GLU D 4 194 ? -41.372 33.150 -8.940 1.00 77.64 ? 200 GLU D CG 1 -ATOM 4461 C CD . GLU D 4 194 ? -42.474 33.111 -10.018 1.00 78.52 ? 200 GLU D CD 1 -ATOM 4462 O OE1 . GLU D 4 194 ? -43.504 32.419 -9.859 1.00 83.79 ? 200 GLU D OE1 1 -ATOM 4463 O OE2 . GLU D 4 194 ? -42.298 33.789 -11.055 1.00 73.95 ? 200 GLU D OE2 1 -ATOM 4464 N N . ASP D 4 195 ? -41.460 29.256 -9.699 1.00 80.39 ? 201 ASP D N 1 -ATOM 4465 C CA . ASP D 4 195 ? -40.713 28.665 -10.783 1.00 77.70 ? 201 ASP D CA 1 -ATOM 4466 C C . ASP D 4 195 ? -41.437 29.242 -11.972 1.00 75.24 ? 201 ASP D C 1 -ATOM 4467 O O . ASP D 4 195 ? -42.552 28.845 -12.309 1.00 72.22 ? 201 ASP D O 1 -ATOM 4468 C CB . ASP D 4 195 ? -40.762 27.145 -10.741 1.00 82.30 ? 201 ASP D CB 1 -ATOM 4469 C CG . ASP D 4 195 ? -39.673 26.538 -9.852 1.00 85.43 ? 201 ASP D CG 1 -ATOM 4470 O OD1 . ASP D 4 195 ? -38.734 27.240 -9.398 1.00 85.58 ? 201 ASP D OD1 1 -ATOM 4471 O OD2 . ASP D 4 195 ? -39.741 25.312 -9.614 1.00 90.95 ? 201 ASP D OD2 1 -ATOM 4472 N N . THR D 4 196 ? -40.864 30.335 -12.437 1.00 77.86 ? 202 THR D N 1 -ATOM 4473 C CA . THR D 4 196 ? -41.356 31.073 -13.568 1.00 83.31 ? 202 THR D CA 1 -ATOM 4474 C C . THR D 4 196 ? -41.613 30.093 -14.729 1.00 86.51 ? 202 THR D C 1 -ATOM 4475 O O . THR D 4 196 ? -41.253 28.918 -14.629 1.00 87.78 ? 202 THR D O 1 -ATOM 4476 C CB . THR D 4 196 ? -40.323 32.184 -13.889 1.00 86.26 ? 202 THR D CB 1 -ATOM 4477 O OG1 . THR D 4 196 ? -40.989 33.439 -14.087 1.00 89.59 ? 202 THR D OG1 1 -ATOM 4478 C CG2 . THR D 4 196 ? -39.459 31.828 -15.088 1.00 93.35 ? 202 THR D CG2 1 -ATOM 4479 N N . PHE D 4 197 ? -42.221 30.569 -15.816 1.00 91.98 ? 203 PHE D N 1 -ATOM 4480 C CA . PHE D 4 197 ? -42.578 29.735 -16.976 1.00 96.33 ? 203 PHE D CA 1 -ATOM 4481 C C . PHE D 4 197 ? -41.585 29.867 -18.147 1.00 97.91 ? 203 PHE D C 1 -ATOM 4482 O O . PHE D 4 197 ? -41.571 30.932 -18.798 1.00 99.48 ? 203 PHE D O 1 -ATOM 4483 C CB . PHE D 4 197 ? -44.009 30.068 -17.460 1.00 97.85 ? 203 PHE D CB 1 -ATOM 4484 C CG . PHE D 4 197 ? -44.935 30.548 -16.366 1.00 99.98 ? 203 PHE D CG 1 -ATOM 4485 C CD1 . PHE D 4 197 ? -44.901 31.886 -15.942 1.00 99.99 ? 203 PHE D CD1 1 -ATOM 4486 C CD2 . PHE D 4 197 ? -45.802 29.658 -15.715 1.00 99.96 ? 203 PHE D CD2 1 -ATOM 4487 C CE1 . PHE D 4 197 ? -45.708 32.335 -14.888 1.00 99.98 ? 203 PHE D CE1 1 -ATOM 4488 C CE2 . PHE D 4 197 ? -46.619 30.092 -14.655 1.00 99.96 ? 203 PHE D CE2 1 -ATOM 4489 C CZ . PHE D 4 197 ? -46.566 31.438 -14.237 1.00 100.00 ? 203 PHE D CZ 1 -ATOM 4490 N N . GLY E 5 3 ? 2.020 51.339 6.101 1.00 47.87 ? 3 GLY E N 1 -ATOM 4491 C CA . GLY E 5 3 ? 1.624 49.969 6.579 1.00 41.06 ? 3 GLY E CA 1 -ATOM 4492 C C . GLY E 5 3 ? 2.588 48.900 6.095 1.00 37.31 ? 3 GLY E C 1 -ATOM 4493 O O . GLY E 5 3 ? 3.743 49.209 5.795 1.00 37.42 ? 3 GLY E O 1 -ATOM 4494 N N . VAL E 5 4 ? 2.137 47.645 6.087 1.00 34.49 ? 4 VAL E N 1 -ATOM 4495 C CA . VAL E 5 4 ? 2.953 46.532 5.607 1.00 36.27 ? 4 VAL E CA 1 -ATOM 4496 C C . VAL E 5 4 ? 2.482 46.156 4.203 1.00 39.12 ? 4 VAL E C 1 -ATOM 4497 O O . VAL E 5 4 ? 1.310 45.798 3.979 1.00 42.39 ? 4 VAL E O 1 -ATOM 4498 C CB . VAL E 5 4 ? 2.913 45.300 6.565 1.00 36.43 ? 4 VAL E CB 1 -ATOM 4499 C CG1 . VAL E 5 4 ? 1.530 45.083 7.076 1.00 47.49 ? 4 VAL E CG1 1 -ATOM 4500 C CG2 . VAL E 5 4 ? 3.416 44.038 5.860 1.00 31.82 ? 4 VAL E CG2 1 -ATOM 4501 N N . THR E 5 5 ? 3.392 46.313 3.252 1.00 33.65 ? 5 THR E N 1 -ATOM 4502 C CA . THR E 5 5 ? 3.120 46.021 1.864 1.00 28.54 ? 5 THR E CA 1 -ATOM 4503 C C . THR E 5 5 ? 3.846 44.753 1.466 1.00 26.46 ? 5 THR E C 1 -ATOM 4504 O O . THR E 5 5 ? 4.912 44.452 1.980 1.00 31.52 ? 5 THR E O 1 -ATOM 4505 C CB . THR E 5 5 ? 3.603 47.195 0.961 1.00 26.70 ? 5 THR E CB 1 -ATOM 4506 O OG1 . THR E 5 5 ? 4.944 47.550 1.305 1.00 33.36 ? 5 THR E OG1 1 -ATOM 4507 C CG2 . THR E 5 5 ? 2.746 48.425 1.165 1.00 24.23 ? 5 THR E CG2 1 -ATOM 4508 N N . GLN E 5 6 ? 3.252 43.995 0.565 1.00 32.48 ? 6 GLN E N 1 -ATOM 4509 C CA . GLN E 5 6 ? 3.870 42.774 0.070 1.00 34.86 ? 6 GLN E CA 1 -ATOM 4510 C C . GLN E 5 6 ? 3.490 42.530 -1.396 1.00 33.68 ? 6 GLN E C 1 -ATOM 4511 O O . GLN E 5 6 ? 2.324 42.658 -1.801 1.00 33.27 ? 6 GLN E O 1 -ATOM 4512 C CB . GLN E 5 6 ? 3.565 41.558 0.968 1.00 35.76 ? 6 GLN E CB 1 -ATOM 4513 C CG . GLN E 5 6 ? 2.110 41.317 1.278 1.00 38.60 ? 6 GLN E CG 1 -ATOM 4514 C CD . GLN E 5 6 ? 1.876 40.067 2.115 1.00 37.51 ? 6 GLN E CD 1 -ATOM 4515 O OE1 . GLN E 5 6 ? 2.180 38.947 1.695 1.00 36.33 ? 6 GLN E OE1 1 -ATOM 4516 N NE2 . GLN E 5 6 ? 1.297 40.255 3.296 1.00 39.94 ? 6 GLN E NE2 1 -ATOM 4517 N N . THR E 5 7 ? 4.514 42.265 -2.194 1.00 30.54 ? 7 THR E N 1 -ATOM 4518 C CA . THR E 5 7 ? 4.371 42.029 -3.618 1.00 31.35 ? 7 THR E CA 1 -ATOM 4519 C C . THR E 5 7 ? 4.974 40.660 -3.923 1.00 30.49 ? 7 THR E C 1 -ATOM 4520 O O . THR E 5 7 ? 5.885 40.213 -3.217 1.00 31.63 ? 7 THR E O 1 -ATOM 4521 C CB . THR E 5 7 ? 5.121 43.142 -4.410 1.00 32.77 ? 7 THR E CB 1 -ATOM 4522 O OG1 . THR E 5 7 ? 6.464 43.277 -3.914 1.00 33.34 ? 7 THR E OG1 1 -ATOM 4523 C CG2 . THR E 5 7 ? 4.401 44.493 -4.271 1.00 24.69 ? 7 THR E CG2 1 -ATOM 4524 N N . PRO E 5 8 ? 4.449 39.949 -4.939 1.00 31.28 ? 8 PRO E N 1 -ATOM 4525 C CA . PRO E 5 8 ? 3.343 40.279 -5.843 1.00 27.42 ? 8 PRO E CA 1 -ATOM 4526 C C . PRO E 5 8 ? 2.054 39.895 -5.152 1.00 25.04 ? 8 PRO E C 1 -ATOM 4527 O O . PRO E 5 8 ? 2.094 39.300 -4.088 1.00 33.76 ? 8 PRO E O 1 -ATOM 4528 C CB . PRO E 5 8 ? 3.561 39.325 -7.025 1.00 27.26 ? 8 PRO E CB 1 -ATOM 4529 C CG . PRO E 5 8 ? 4.847 38.610 -6.748 1.00 32.53 ? 8 PRO E CG 1 -ATOM 4530 C CD . PRO E 5 8 ? 4.959 38.613 -5.264 1.00 32.51 ? 8 PRO E CD 1 -ATOM 4531 N N . LYS E 5 9 ? 0.925 40.165 -5.799 1.00 20.91 ? 9 LYS E N 1 -ATOM 4532 C CA . LYS E 5 9 ? -0.387 39.845 -5.266 1.00 17.03 ? 9 LYS E CA 1 -ATOM 4533 C C . LYS E 5 9 ? -0.740 38.403 -5.621 1.00 22.18 ? 9 LYS E C 1 -ATOM 4534 O O . LYS E 5 9 ? -1.347 37.691 -4.825 1.00 24.72 ? 9 LYS E O 1 -ATOM 4535 C CB . LYS E 5 9 ? -1.427 40.795 -5.862 1.00 25.54 ? 9 LYS E CB 1 -ATOM 4536 C CG . LYS E 5 9 ? -2.466 41.260 -4.875 1.00 44.10 ? 9 LYS E CG 1 -ATOM 4537 C CD . LYS E 5 9 ? -3.305 42.413 -5.418 1.00 56.55 ? 9 LYS E CD 1 -ATOM 4538 C CE . LYS E 5 9 ? -3.978 43.171 -4.256 1.00 65.84 ? 9 LYS E CE 1 -ATOM 4539 N NZ . LYS E 5 9 ? -5.032 44.156 -4.669 1.00 68.83 ? 9 LYS E NZ 1 -ATOM 4540 N N . PHE E 5 10 ? -0.422 38.016 -6.859 1.00 26.62 ? 10 PHE E N 1 -ATOM 4541 C CA . PHE E 5 10 ? -0.669 36.673 -7.392 1.00 19.93 ? 10 PHE E CA 1 -ATOM 4542 C C . PHE E 5 10 ? 0.601 36.203 -8.082 1.00 22.16 ? 10 PHE E C 1 -ATOM 4543 O O . PHE E 5 10 ? 1.330 36.992 -8.689 1.00 22.18 ? 10 PHE E O 1 -ATOM 4544 C CB . PHE E 5 10 ? -1.790 36.669 -8.426 1.00 13.53 ? 10 PHE E CB 1 -ATOM 4545 C CG . PHE E 5 10 ? -3.091 37.197 -7.923 1.00 8.08 ? 10 PHE E CG 1 -ATOM 4546 C CD1 . PHE E 5 10 ? -3.976 36.379 -7.245 1.00 11.66 ? 10 PHE E CD1 1 -ATOM 4547 C CD2 . PHE E 5 10 ? -3.454 38.508 -8.171 1.00 9.21 ? 10 PHE E CD2 1 -ATOM 4548 C CE1 . PHE E 5 10 ? -5.208 36.859 -6.830 1.00 9.13 ? 10 PHE E CE1 1 -ATOM 4549 C CE2 . PHE E 5 10 ? -4.683 39.005 -7.760 1.00 6.89 ? 10 PHE E CE2 1 -ATOM 4550 C CZ . PHE E 5 10 ? -5.555 38.187 -7.096 1.00 8.37 ? 10 PHE E CZ 1 -ATOM 4551 N N . GLN E 5 11 ? 0.827 34.900 -8.042 1.00 24.35 ? 11 GLN E N 1 -ATOM 4552 C CA . GLN E 5 11 ? 2.006 34.321 -8.651 1.00 24.38 ? 11 GLN E CA 1 -ATOM 4553 C C . GLN E 5 11 ? 1.692 32.880 -9.051 1.00 26.85 ? 11 GLN E C 1 -ATOM 4554 O O . GLN E 5 11 ? 0.893 32.215 -8.382 1.00 21.51 ? 11 GLN E O 1 -ATOM 4555 C CB . GLN E 5 11 ? 3.159 34.359 -7.638 1.00 26.21 ? 11 GLN E CB 1 -ATOM 4556 C CG . GLN E 5 11 ? 4.521 34.017 -8.198 1.00 29.65 ? 11 GLN E CG 1 -ATOM 4557 C CD . GLN E 5 11 ? 4.896 34.875 -9.399 1.00 35.28 ? 11 GLN E CD 1 -ATOM 4558 O OE1 . GLN E 5 11 ? 5.027 34.377 -10.514 1.00 35.47 ? 11 GLN E OE1 1 -ATOM 4559 N NE2 . GLN E 5 11 ? 5.060 36.170 -9.176 1.00 41.42 ? 11 GLN E NE2 1 -ATOM 4560 N N . VAL E 5 12 ? 2.230 32.452 -10.199 1.00 29.01 ? 12 VAL E N 1 -ATOM 4561 C CA . VAL E 5 12 ? 2.082 31.077 -10.694 1.00 26.20 ? 12 VAL E CA 1 -ATOM 4562 C C . VAL E 5 12 ? 3.489 30.591 -10.992 1.00 25.64 ? 12 VAL E C 1 -ATOM 4563 O O . VAL E 5 12 ? 4.273 31.286 -11.628 1.00 29.93 ? 12 VAL E O 1 -ATOM 4564 C CB . VAL E 5 12 ? 1.244 30.964 -11.971 1.00 24.30 ? 12 VAL E CB 1 -ATOM 4565 C CG1 . VAL E 5 12 ? 0.865 29.496 -12.206 1.00 19.51 ? 12 VAL E CG1 1 -ATOM 4566 C CG2 . VAL E 5 12 ? 0.000 31.826 -11.853 1.00 30.57 ? 12 VAL E CG2 1 -ATOM 4567 N N . LEU E 5 13 ? 3.816 29.409 -10.503 1.00 26.58 ? 13 LEU E N 1 -ATOM 4568 C CA . LEU E 5 13 ? 5.140 28.849 -10.697 1.00 25.75 ? 13 LEU E CA 1 -ATOM 4569 C C . LEU E 5 13 ? 4.964 27.413 -11.109 1.00 26.55 ? 13 LEU E C 1 -ATOM 4570 O O . LEU E 5 13 ? 3.908 26.816 -10.882 1.00 28.59 ? 13 LEU E O 1 -ATOM 4571 C CB . LEU E 5 13 ? 5.932 28.851 -9.383 1.00 28.54 ? 13 LEU E CB 1 -ATOM 4572 C CG . LEU E 5 13 ? 6.431 30.104 -8.670 1.00 30.03 ? 13 LEU E CG 1 -ATOM 4573 C CD1 . LEU E 5 13 ? 7.109 29.710 -7.376 1.00 22.95 ? 13 LEU E CD1 1 -ATOM 4574 C CD2 . LEU E 5 13 ? 7.404 30.843 -9.562 1.00 31.90 ? 13 LEU E CD2 1 -ATOM 4575 N N . LYS E 5 14 ? 6.020 26.851 -11.672 1.00 27.30 ? 14 LYS E N 1 -ATOM 4576 C CA . LYS E 5 14 ? 6.023 25.463 -12.094 1.00 32.11 ? 14 LYS E CA 1 -ATOM 4577 C C . LYS E 5 14 ? 6.997 24.795 -11.136 1.00 26.74 ? 14 LYS E C 1 -ATOM 4578 O O . LYS E 5 14 ? 8.026 25.390 -10.785 1.00 21.53 ? 14 LYS E O 1 -ATOM 4579 C CB . LYS E 5 14 ? 6.523 25.358 -13.547 1.00 41.09 ? 14 LYS E CB 1 -ATOM 4580 C CG . LYS E 5 14 ? 7.209 24.040 -13.880 1.00 53.46 ? 14 LYS E CG 1 -ATOM 4581 C CD . LYS E 5 14 ? 7.749 24.014 -15.300 1.00 58.65 ? 14 LYS E CD 1 -ATOM 4582 C CE . LYS E 5 14 ? 8.703 22.834 -15.499 1.00 60.90 ? 14 LYS E CE 1 -ATOM 4583 N NZ . LYS E 5 14 ? 9.051 22.624 -16.927 1.00 60.17 ? 14 LYS E NZ 1 -ATOM 4584 N N . THR E 5 15 ? 6.663 23.593 -10.682 1.00 23.48 ? 15 THR E N 1 -ATOM 4585 C CA . THR E 5 15 ? 7.527 22.867 -9.767 1.00 28.27 ? 15 THR E CA 1 -ATOM 4586 C C . THR E 5 15 ? 8.989 23.033 -10.180 1.00 30.64 ? 15 THR E C 1 -ATOM 4587 O O . THR E 5 15 ? 9.337 22.808 -11.340 1.00 38.36 ? 15 THR E O 1 -ATOM 4588 C CB . THR E 5 15 ? 7.157 21.383 -9.759 1.00 27.75 ? 15 THR E CB 1 -ATOM 4589 O OG1 . THR E 5 15 ? 5.746 21.263 -9.558 1.00 29.80 ? 15 THR E OG1 1 -ATOM 4590 C CG2 . THR E 5 15 ? 7.864 20.654 -8.631 1.00 33.95 ? 15 THR E CG2 1 -ATOM 4591 N N . GLY E 5 16 ? 9.823 23.518 -9.263 1.00 33.09 ? 16 GLY E N 1 -ATOM 4592 C CA . GLY E 5 16 ? 11.230 23.701 -9.582 1.00 30.35 ? 16 GLY E CA 1 -ATOM 4593 C C . GLY E 5 16 ? 11.694 25.144 -9.624 1.00 31.94 ? 16 GLY E C 1 -ATOM 4594 O O . GLY E 5 16 ? 12.898 25.414 -9.502 1.00 32.13 ? 16 GLY E O 1 -ATOM 4595 N N . GLN E 5 17 ? 10.763 26.073 -9.831 1.00 29.17 ? 17 GLN E N 1 -ATOM 4596 C CA . GLN E 5 17 ? 11.112 27.489 -9.889 1.00 28.47 ? 17 GLN E CA 1 -ATOM 4597 C C . GLN E 5 17 ? 11.318 28.082 -8.509 1.00 28.67 ? 17 GLN E C 1 -ATOM 4598 O O . GLN E 5 17 ? 10.648 27.718 -7.550 1.00 32.90 ? 17 GLN E O 1 -ATOM 4599 C CB . GLN E 5 17 ? 10.007 28.285 -10.569 1.00 30.75 ? 17 GLN E CB 1 -ATOM 4600 C CG . GLN E 5 17 ? 10.089 28.406 -12.056 1.00 37.54 ? 17 GLN E CG 1 -ATOM 4601 C CD . GLN E 5 17 ? 8.911 29.195 -12.606 1.00 44.98 ? 17 GLN E CD 1 -ATOM 4602 O OE1 . GLN E 5 17 ? 7.761 28.782 -12.476 1.00 50.35 ? 17 GLN E OE1 1 -ATOM 4603 N NE2 . GLN E 5 17 ? 9.189 30.346 -13.197 1.00 48.36 ? 17 GLN E NE2 1 -ATOM 4604 N N . SER E 5 18 ? 12.243 29.015 -8.417 1.00 31.39 ? 18 SER E N 1 -ATOM 4605 C CA . SER E 5 18 ? 12.504 29.701 -7.172 1.00 35.34 ? 18 SER E CA 1 -ATOM 4606 C C . SER E 5 18 ? 11.568 30.903 -7.207 1.00 38.13 ? 18 SER E C 1 -ATOM 4607 O O . SER E 5 18 ? 11.072 31.257 -8.272 1.00 38.91 ? 18 SER E O 1 -ATOM 4608 C CB . SER E 5 18 ? 13.955 30.161 -7.156 1.00 37.36 ? 18 SER E CB 1 -ATOM 4609 O OG . SER E 5 18 ? 14.362 30.562 -8.460 1.00 46.50 ? 18 SER E OG 1 -ATOM 4610 N N . MET E 5 19 ? 11.327 31.537 -6.065 1.00 39.17 ? 19 MET E N 1 -ATOM 4611 C CA . MET E 5 19 ? 10.446 32.698 -6.022 1.00 37.59 ? 19 MET E CA 1 -ATOM 4612 C C . MET E 5 19 ? 10.720 33.407 -4.733 1.00 34.87 ? 19 MET E C 1 -ATOM 4613 O O . MET E 5 19 ? 11.033 32.750 -3.760 1.00 39.31 ? 19 MET E O 1 -ATOM 4614 C CB . MET E 5 19 ? 8.976 32.252 -6.017 1.00 44.04 ? 19 MET E CB 1 -ATOM 4615 C CG . MET E 5 19 ? 7.960 33.398 -5.900 1.00 49.69 ? 19 MET E CG 1 -ATOM 4616 S SD . MET E 5 19 ? 8.125 34.569 -7.280 1.00 64.10 ? 19 MET E SD 1 -ATOM 4617 C CE . MET E 5 19 ? 7.774 36.137 -6.525 1.00 63.57 ? 19 MET E CE 1 -ATOM 4618 N N . THR E 5 20 ? 10.714 34.734 -4.721 1.00 33.54 ? 20 THR E N 1 -ATOM 4619 C CA . THR E 5 20 ? 10.892 35.429 -3.446 1.00 36.38 ? 20 THR E CA 1 -ATOM 4620 C C . THR E 5 20 ? 9.720 36.398 -3.241 1.00 35.33 ? 20 THR E C 1 -ATOM 4621 O O . THR E 5 20 ? 9.265 37.045 -4.195 1.00 32.90 ? 20 THR E O 1 -ATOM 4622 C CB . THR E 5 20 ? 12.330 36.075 -3.225 1.00 39.04 ? 20 THR E CB 1 -ATOM 4623 O OG1 . THR E 5 20 ? 12.240 37.499 -3.073 1.00 42.95 ? 20 THR E OG1 1 -ATOM 4624 C CG2 . THR E 5 20 ? 13.302 35.711 -4.352 1.00 45.61 ? 20 THR E CG2 1 -ATOM 4625 N N . LEU E 5 21 ? 9.129 36.342 -2.045 1.00 30.32 ? 21 LEU E N 1 -ATOM 4626 C CA . LEU E 5 21 ? 8.004 37.181 -1.677 1.00 22.30 ? 21 LEU E CA 1 -ATOM 4627 C C . LEU E 5 21 ? 8.564 38.373 -0.971 1.00 21.77 ? 21 LEU E C 1 -ATOM 4628 O O . LEU E 5 21 ? 9.405 38.234 -0.090 1.00 24.65 ? 21 LEU E O 1 -ATOM 4629 C CB . LEU E 5 21 ? 7.068 36.427 -0.755 1.00 24.41 ? 21 LEU E CB 1 -ATOM 4630 C CG . LEU E 5 21 ? 6.439 35.216 -1.431 1.00 26.10 ? 21 LEU E CG 1 -ATOM 4631 C CD1 . LEU E 5 21 ? 5.675 34.399 -0.424 1.00 38.16 ? 21 LEU E CD1 1 -ATOM 4632 C CD2 . LEU E 5 21 ? 5.531 35.659 -2.544 1.00 27.46 ? 21 LEU E CD2 1 -ATOM 4633 N N . GLN E 5 22 ? 8.147 39.552 -1.398 1.00 21.35 ? 22 GLN E N 1 -ATOM 4634 C CA . GLN E 5 22 ? 8.644 40.765 -0.791 1.00 27.00 ? 22 GLN E CA 1 -ATOM 4635 C C . GLN E 5 22 ? 7.718 41.283 0.288 1.00 30.84 ? 22 GLN E C 1 -ATOM 4636 O O . GLN E 5 22 ? 6.499 41.270 0.132 1.00 32.51 ? 22 GLN E O 1 -ATOM 4637 C CB . GLN E 5 22 ? 8.873 41.832 -1.847 1.00 27.23 ? 22 GLN E CB 1 -ATOM 4638 C CG . GLN E 5 22 ? 9.836 41.404 -2.947 1.00 38.27 ? 22 GLN E CG 1 -ATOM 4639 C CD . GLN E 5 22 ? 11.194 40.957 -2.430 1.00 44.17 ? 22 GLN E CD 1 -ATOM 4640 O OE1 . GLN E 5 22 ? 11.440 40.949 -1.225 1.00 52.34 ? 22 GLN E OE1 1 -ATOM 4641 N NE2 . GLN E 5 22 ? 12.088 40.584 -3.345 1.00 48.82 ? 22 GLN E NE2 1 -ATOM 4642 N N . CYS E 5 23 ? 8.306 41.675 1.414 1.00 35.05 ? 23 CYS E N 1 -ATOM 4643 C CA . CYS E 5 23 ? 7.547 42.224 2.533 1.00 31.69 ? 23 CYS E CA 1 -ATOM 4644 C C . CYS E 5 23 ? 8.250 43.453 3.039 1.00 26.11 ? 23 CYS E C 1 -ATOM 4645 O O . CYS E 5 23 ? 9.427 43.400 3.414 1.00 22.37 ? 23 CYS E O 1 -ATOM 4646 C CB . CYS E 5 23 ? 7.407 41.244 3.689 1.00 33.51 ? 23 CYS E CB 1 -ATOM 4647 S SG . CYS E 5 23 ? 6.406 41.988 5.013 1.00 34.59 ? 23 CYS E SG 1 -ATOM 4648 N N . ALA E 5 24 ? 7.530 44.563 3.016 1.00 23.01 ? 24 ALA E N 1 -ATOM 4649 C CA . ALA E 5 24 ? 8.075 45.822 3.462 1.00 26.95 ? 24 ALA E CA 1 -ATOM 4650 C C . ALA E 5 24 ? 7.127 46.480 4.450 1.00 28.95 ? 24 ALA E C 1 -ATOM 4651 O O . ALA E 5 24 ? 5.902 46.471 4.280 1.00 27.18 ? 24 ALA E O 1 -ATOM 4652 C CB . ALA E 5 24 ? 8.332 46.728 2.282 1.00 22.23 ? 24 ALA E CB 1 -ATOM 4653 N N . GLN E 5 25 ? 7.710 47.004 5.521 1.00 30.51 ? 25 GLN E N 1 -ATOM 4654 C CA . GLN E 5 25 ? 6.963 47.692 6.561 1.00 29.25 ? 25 GLN E CA 1 -ATOM 4655 C C . GLN E 5 25 ? 7.670 49.039 6.703 1.00 29.29 ? 25 GLN E C 1 -ATOM 4656 O O . GLN E 5 25 ? 8.898 49.115 6.600 1.00 24.77 ? 25 GLN E O 1 -ATOM 4657 C CB . GLN E 5 25 ? 6.961 46.825 7.841 1.00 27.45 ? 25 GLN E CB 1 -ATOM 4658 C CG . GLN E 5 25 ? 7.155 47.495 9.189 1.00 30.65 ? 25 GLN E CG 1 -ATOM 4659 C CD . GLN E 5 25 ? 8.612 47.607 9.564 1.00 29.06 ? 25 GLN E CD 1 -ATOM 4660 O OE1 . GLN E 5 25 ? 9.088 48.686 9.890 1.00 41.33 ? 25 GLN E OE1 1 -ATOM 4661 N NE2 . GLN E 5 25 ? 9.329 46.503 9.500 1.00 33.30 ? 25 GLN E NE2 1 -ATOM 4662 N N . ASP E 5 26 ? 6.887 50.109 6.805 1.00 32.32 ? 26 ASP E N 1 -ATOM 4663 C CA . ASP E 5 26 ? 7.441 51.458 6.935 1.00 37.95 ? 26 ASP E CA 1 -ATOM 4664 C C . ASP E 5 26 ? 7.283 52.032 8.349 1.00 39.93 ? 26 ASP E C 1 -ATOM 4665 O O . ASP E 5 26 ? 7.595 53.202 8.597 1.00 46.37 ? 26 ASP E O 1 -ATOM 4666 C CB . ASP E 5 26 ? 6.761 52.381 5.930 1.00 33.84 ? 26 ASP E CB 1 -ATOM 4667 N N . MET E 5 27 ? 6.854 51.190 9.283 1.00 35.78 ? 27 MET E N 1 -ATOM 4668 C CA . MET E 5 27 ? 6.597 51.608 10.655 1.00 31.18 ? 27 MET E CA 1 -ATOM 4669 C C . MET E 5 27 ? 7.736 51.434 11.645 1.00 31.03 ? 27 MET E C 1 -ATOM 4670 O O . MET E 5 27 ? 7.528 51.551 12.840 1.00 38.18 ? 27 MET E O 1 -ATOM 4671 C CB . MET E 5 27 ? 5.372 50.868 11.158 1.00 23.77 ? 27 MET E CB 1 -ATOM 4672 C CG . MET E 5 27 ? 4.360 50.685 10.082 1.00 17.61 ? 27 MET E CG 1 -ATOM 4673 S SD . MET E 5 27 ? 2.942 49.872 10.684 1.00 37.55 ? 27 MET E SD 1 -ATOM 4674 C CE . MET E 5 27 ? 3.425 48.150 10.408 1.00 34.15 ? 27 MET E CE 1 -ATOM 4675 N N . ASN E 5 28 ? 8.930 51.130 11.161 1.00 32.34 ? 28 ASN E N 1 -ATOM 4676 C CA . ASN E 5 28 ? 10.075 50.944 12.034 1.00 29.08 ? 28 ASN E CA 1 -ATOM 4677 C C . ASN E 5 28 ? 9.768 49.902 13.094 1.00 29.72 ? 28 ASN E C 1 -ATOM 4678 O O . ASN E 5 28 ? 10.060 50.083 14.265 1.00 38.27 ? 28 ASN E O 1 -ATOM 4679 C CB . ASN E 5 28 ? 10.471 52.270 12.682 1.00 32.53 ? 28 ASN E CB 1 -ATOM 4680 C CG . ASN E 5 28 ? 11.418 53.086 11.817 1.00 35.37 ? 28 ASN E CG 1 -ATOM 4681 O OD1 . ASN E 5 28 ? 12.304 52.539 11.168 1.00 34.28 ? 28 ASN E OD1 1 -ATOM 4682 N ND2 . ASN E 5 28 ? 11.231 54.402 11.806 1.00 38.98 ? 28 ASN E ND2 1 -ATOM 4683 N N . HIS E 5 29 ? 9.081 48.848 12.689 1.00 30.59 ? 29 HIS E N 1 -ATOM 4684 C CA . HIS E 5 29 ? 8.734 47.759 13.587 1.00 27.97 ? 29 HIS E CA 1 -ATOM 4685 C C . HIS E 5 29 ? 9.904 46.802 13.507 1.00 30.33 ? 29 HIS E C 1 -ATOM 4686 O O . HIS E 5 29 ? 10.398 46.524 12.409 1.00 35.47 ? 29 HIS E O 1 -ATOM 4687 C CB . HIS E 5 29 ? 7.447 47.077 13.119 1.00 29.82 ? 29 HIS E CB 1 -ATOM 4688 C CG . HIS E 5 29 ? 6.202 47.821 13.497 1.00 26.54 ? 29 HIS E CG 1 -ATOM 4689 N ND1 . HIS E 5 29 ? 4.940 47.368 13.183 1.00 27.01 ? 29 HIS E ND1 1 -ATOM 4690 C CD2 . HIS E 5 29 ? 6.032 48.966 14.194 1.00 32.97 ? 29 HIS E CD2 1 -ATOM 4691 C CE1 . HIS E 5 29 ? 4.041 48.205 13.675 1.00 25.82 ? 29 HIS E CE1 1 -ATOM 4692 N NE2 . HIS E 5 29 ? 4.675 49.182 14.291 1.00 32.75 ? 29 HIS E NE2 1 -ATOM 4693 N N . GLU E 5 30 ? 10.329 46.288 14.656 1.00 24.53 ? 30 GLU E N 1 -ATOM 4694 C CA . GLU E 5 30 ? 11.475 45.390 14.725 1.00 20.61 ? 30 GLU E CA 1 -ATOM 4695 C C . GLU E 5 30 ? 11.210 43.914 14.436 1.00 20.76 ? 30 GLU E C 1 -ATOM 4696 O O . GLU E 5 30 ? 12.118 43.185 14.025 1.00 22.12 ? 30 GLU E O 1 -ATOM 4697 C CB . GLU E 5 30 ? 12.154 45.541 16.088 1.00 22.28 ? 30 GLU E CB 1 -ATOM 4698 N N . TYR E 5 31 ? 9.981 43.471 14.665 1.00 15.26 ? 31 TYR E N 1 -ATOM 4699 C CA . TYR E 5 31 ? 9.640 42.075 14.475 1.00 13.36 ? 31 TYR E CA 1 -ATOM 4700 C C . TYR E 5 31 ? 8.735 41.900 13.283 1.00 18.65 ? 31 TYR E C 1 -ATOM 4701 O O . TYR E 5 31 ? 7.743 42.614 13.133 1.00 19.76 ? 31 TYR E O 1 -ATOM 4702 C CB . TYR E 5 31 ? 8.966 41.562 15.737 1.00 13.39 ? 31 TYR E CB 1 -ATOM 4703 C CG . TYR E 5 31 ? 8.471 40.155 15.679 1.00 9.37 ? 31 TYR E CG 1 -ATOM 4704 C CD1 . TYR E 5 31 ? 7.269 39.852 15.069 1.00 11.00 ? 31 TYR E CD1 1 -ATOM 4705 C CD2 . TYR E 5 31 ? 9.177 39.128 16.282 1.00 9.39 ? 31 TYR E CD2 1 -ATOM 4706 C CE1 . TYR E 5 31 ? 6.775 38.557 15.064 1.00 16.61 ? 31 TYR E CE1 1 -ATOM 4707 C CE2 . TYR E 5 31 ? 8.691 37.821 16.284 1.00 11.87 ? 31 TYR E CE2 1 -ATOM 4708 C CZ . TYR E 5 31 ? 7.487 37.540 15.675 1.00 16.90 ? 31 TYR E CZ 1 -ATOM 4709 O OH . TYR E 5 31 ? 6.958 36.260 15.689 1.00 24.39 ? 31 TYR E OH 1 -ATOM 4710 N N . MET E 5 32 ? 9.073 40.922 12.451 1.00 25.17 ? 32 MET E N 1 -ATOM 4711 C CA . MET E 5 32 ? 8.317 40.617 11.236 1.00 22.64 ? 32 MET E CA 1 -ATOM 4712 C C . MET E 5 32 ? 8.186 39.108 11.095 1.00 20.63 ? 32 MET E C 1 -ATOM 4713 O O . MET E 5 32 ? 9.103 38.367 11.447 1.00 20.63 ? 32 MET E O 1 -ATOM 4714 C CB . MET E 5 32 ? 9.024 41.219 10.026 1.00 23.96 ? 32 MET E CB 1 -ATOM 4715 C CG . MET E 5 32 ? 9.041 42.740 10.029 1.00 21.27 ? 32 MET E CG 1 -ATOM 4716 S SD . MET E 5 32 ? 10.094 43.406 8.740 1.00 25.67 ? 32 MET E SD 1 -ATOM 4717 C CE . MET E 5 32 ? 8.877 43.567 7.409 1.00 8.90 ? 32 MET E CE 1 -ATOM 4718 N N . SER E 5 33 ? 7.052 38.656 10.582 1.00 16.63 ? 33 SER E N 1 -ATOM 4719 C CA . SER E 5 33 ? 6.796 37.237 10.450 1.00 19.64 ? 33 SER E CA 1 -ATOM 4720 C C . SER E 5 33 ? 6.107 36.832 9.148 1.00 18.58 ? 33 SER E C 1 -ATOM 4721 O O . SER E 5 33 ? 5.450 37.647 8.499 1.00 17.83 ? 33 SER E O 1 -ATOM 4722 C CB . SER E 5 33 ? 5.941 36.801 11.637 1.00 20.89 ? 33 SER E CB 1 -ATOM 4723 O OG . SER E 5 33 ? 4.914 37.749 11.898 1.00 31.30 ? 33 SER E OG 1 -ATOM 4724 N N . TRP E 5 34 ? 6.203 35.550 8.815 1.00 13.75 ? 34 TRP E N 1 -ATOM 4725 C CA . TRP E 5 34 ? 5.588 35.027 7.611 1.00 13.80 ? 34 TRP E CA 1 -ATOM 4726 C C . TRP E 5 34 ? 4.667 33.854 7.920 1.00 14.44 ? 34 TRP E C 1 -ATOM 4727 O O . TRP E 5 34 ? 5.107 32.849 8.451 1.00 20.57 ? 34 TRP E O 1 -ATOM 4728 C CB . TRP E 5 34 ? 6.671 34.586 6.614 1.00 18.41 ? 34 TRP E CB 1 -ATOM 4729 C CG . TRP E 5 34 ? 7.118 35.674 5.644 1.00 18.10 ? 34 TRP E CG 1 -ATOM 4730 C CD1 . TRP E 5 34 ? 8.306 36.351 5.647 1.00 16.85 ? 34 TRP E CD1 1 -ATOM 4731 C CD2 . TRP E 5 34 ? 6.376 36.173 4.507 1.00 15.13 ? 34 TRP E CD2 1 -ATOM 4732 N NE1 . TRP E 5 34 ? 8.357 37.232 4.590 1.00 11.97 ? 34 TRP E NE1 1 -ATOM 4733 C CE2 . TRP E 5 34 ? 7.183 37.141 3.878 1.00 12.25 ? 34 TRP E CE2 1 -ATOM 4734 C CE3 . TRP E 5 34 ? 5.115 35.894 3.970 1.00 9.44 ? 34 TRP E CE3 1 -ATOM 4735 C CZ2 . TRP E 5 34 ? 6.767 37.831 2.734 1.00 13.36 ? 34 TRP E CZ2 1 -ATOM 4736 C CZ3 . TRP E 5 34 ? 4.700 36.576 2.839 1.00 13.05 ? 34 TRP E CZ3 1 -ATOM 4737 C CH2 . TRP E 5 34 ? 5.524 37.533 2.233 1.00 7.12 ? 34 TRP E CH2 1 -ATOM 4738 N N . TYR E 5 35 ? 3.401 33.974 7.546 1.00 17.00 ? 35 TYR E N 1 -ATOM 4739 C CA . TYR E 5 35 ? 2.404 32.927 7.758 1.00 19.32 ? 35 TYR E CA 1 -ATOM 4740 C C . TYR E 5 35 ? 1.851 32.442 6.410 1.00 21.29 ? 35 TYR E C 1 -ATOM 4741 O O . TYR E 5 35 ? 2.126 33.037 5.375 1.00 19.44 ? 35 TYR E O 1 -ATOM 4742 C CB . TYR E 5 35 ? 1.214 33.471 8.575 1.00 24.74 ? 35 TYR E CB 1 -ATOM 4743 C CG . TYR E 5 35 ? 1.519 33.933 9.983 1.00 24.40 ? 35 TYR E CG 1 -ATOM 4744 C CD1 . TYR E 5 35 ? 1.996 35.218 10.222 1.00 20.62 ? 35 TYR E CD1 1 -ATOM 4745 C CD2 . TYR E 5 35 ? 1.323 33.080 11.075 1.00 27.57 ? 35 TYR E CD2 1 -ATOM 4746 C CE1 . TYR E 5 35 ? 2.274 35.647 11.508 1.00 29.45 ? 35 TYR E CE1 1 -ATOM 4747 C CE2 . TYR E 5 35 ? 1.601 33.495 12.367 1.00 27.14 ? 35 TYR E CE2 1 -ATOM 4748 C CZ . TYR E 5 35 ? 2.077 34.782 12.577 1.00 32.08 ? 35 TYR E CZ 1 -ATOM 4749 O OH . TYR E 5 35 ? 2.382 35.203 13.851 1.00 35.96 ? 35 TYR E OH 1 -ATOM 4750 N N . ARG E 5 36 ? 1.039 31.389 6.450 1.00 19.91 ? 36 ARG E N 1 -ATOM 4751 C CA . ARG E 5 36 ? 0.393 30.821 5.272 1.00 26.78 ? 36 ARG E CA 1 -ATOM 4752 C C . ARG E 5 36 ? -0.929 30.191 5.687 1.00 30.02 ? 36 ARG E C 1 -ATOM 4753 O O . ARG E 5 36 ? -0.984 29.346 6.583 1.00 31.51 ? 36 ARG E O 1 -ATOM 4754 C CB . ARG E 5 36 ? 1.272 29.776 4.566 1.00 32.64 ? 36 ARG E CB 1 -ATOM 4755 C CG . ARG E 5 36 ? 1.711 28.604 5.411 1.00 31.99 ? 36 ARG E CG 1 -ATOM 4756 C CD . ARG E 5 36 ? 2.381 27.556 4.550 1.00 36.57 ? 36 ARG E CD 1 -ATOM 4757 N NE . ARG E 5 36 ? 1.408 26.773 3.780 1.00 40.19 ? 36 ARG E NE 1 -ATOM 4758 C CZ . ARG E 5 36 ? 1.722 25.874 2.844 1.00 31.33 ? 36 ARG E CZ 1 -ATOM 4759 N NH1 . ARG E 5 36 ? 2.990 25.624 2.530 1.00 30.62 ? 36 ARG E NH1 1 -ATOM 4760 N NH2 . ARG E 5 36 ? 0.762 25.204 2.232 1.00 29.49 ? 36 ARG E NH2 1 -ATOM 4761 N N . GLN E 5 37 ? -1.986 30.569 4.991 1.00 30.88 ? 37 GLN E N 1 -ATOM 4762 C CA . GLN E 5 37 ? -3.308 30.075 5.297 1.00 34.93 ? 37 GLN E CA 1 -ATOM 4763 C C . GLN E 5 37 ? -3.783 28.980 4.351 1.00 41.00 ? 37 GLN E C 1 -ATOM 4764 O O . GLN E 5 37 ? -3.849 29.173 3.135 1.00 41.05 ? 37 GLN E O 1 -ATOM 4765 C CB . GLN E 5 37 ? -4.288 31.243 5.272 1.00 31.73 ? 37 GLN E CB 1 -ATOM 4766 C CG . GLN E 5 37 ? -5.640 30.925 5.844 1.00 35.53 ? 37 GLN E CG 1 -ATOM 4767 C CD . GLN E 5 37 ? -6.637 31.989 5.525 1.00 34.81 ? 37 GLN E CD 1 -ATOM 4768 O OE1 . GLN E 5 37 ? -6.363 32.890 4.736 1.00 46.43 ? 37 GLN E OE1 1 -ATOM 4769 N NE2 . GLN E 5 37 ? -7.807 31.901 6.128 1.00 39.11 ? 37 GLN E NE2 1 -ATOM 4770 N N . ASP E 5 38 ? -4.132 27.835 4.926 1.00 46.90 ? 38 ASP E N 1 -ATOM 4771 C CA . ASP E 5 38 ? -4.638 26.696 4.164 1.00 51.34 ? 38 ASP E CA 1 -ATOM 4772 C C . ASP E 5 38 ? -6.026 26.417 4.731 1.00 52.50 ? 38 ASP E C 1 -ATOM 4773 O O . ASP E 5 38 ? -6.258 26.647 5.916 1.00 57.88 ? 38 ASP E O 1 -ATOM 4774 C CB . ASP E 5 38 ? -3.709 25.494 4.331 1.00 55.22 ? 38 ASP E CB 1 -ATOM 4775 C CG . ASP E 5 38 ? -2.290 25.790 3.865 1.00 58.64 ? 38 ASP E CG 1 -ATOM 4776 O OD1 . ASP E 5 38 ? -1.543 26.472 4.604 1.00 62.04 ? 38 ASP E OD1 1 -ATOM 4777 O OD2 . ASP E 5 38 ? -1.932 25.351 2.755 1.00 60.59 ? 38 ASP E OD2 1 -ATOM 4778 N N . PRO E 5 39 ? -6.951 25.875 3.916 1.00 52.98 ? 39 PRO E N 1 -ATOM 4779 C CA . PRO E 5 39 ? -8.318 25.590 4.379 1.00 52.40 ? 39 PRO E CA 1 -ATOM 4780 C C . PRO E 5 39 ? -8.460 24.824 5.693 1.00 50.85 ? 39 PRO E C 1 -ATOM 4781 O O . PRO E 5 39 ? -9.256 25.199 6.563 1.00 51.15 ? 39 PRO E O 1 -ATOM 4782 C CB . PRO E 5 39 ? -8.920 24.808 3.206 1.00 52.42 ? 39 PRO E CB 1 -ATOM 4783 C CG . PRO E 5 39 ? -8.201 25.363 2.027 1.00 52.44 ? 39 PRO E CG 1 -ATOM 4784 C CD . PRO E 5 39 ? -6.772 25.405 2.532 1.00 50.68 ? 39 PRO E CD 1 -ATOM 4785 N N . GLY E 5 40 ? -7.693 23.753 5.834 1.00 44.72 ? 40 GLY E N 1 -ATOM 4786 C CA . GLY E 5 40 ? -7.796 22.959 7.036 1.00 50.43 ? 40 GLY E CA 1 -ATOM 4787 C C . GLY E 5 40 ? -7.189 23.481 8.331 1.00 49.02 ? 40 GLY E C 1 -ATOM 4788 O O . GLY E 5 40 ? -7.683 23.125 9.406 1.00 47.18 ? 40 GLY E O 1 -ATOM 4789 N N . MET E 5 41 ? -6.180 24.352 8.260 1.00 45.76 ? 41 MET E N 1 -ATOM 4790 C CA . MET E 5 41 ? -5.525 24.798 9.487 1.00 41.00 ? 41 MET E CA 1 -ATOM 4791 C C . MET E 5 41 ? -5.200 26.272 9.726 1.00 36.12 ? 41 MET E C 1 -ATOM 4792 O O . MET E 5 41 ? -4.081 26.592 10.105 1.00 36.49 ? 41 MET E O 1 -ATOM 4793 C CB . MET E 5 41 ? -4.266 23.951 9.716 1.00 45.14 ? 41 MET E CB 1 -ATOM 4794 N N . GLY E 5 42 ? -6.177 27.157 9.586 1.00 34.33 ? 42 GLY E N 1 -ATOM 4795 C CA . GLY E 5 42 ? -5.917 28.565 9.836 1.00 31.79 ? 42 GLY E CA 1 -ATOM 4796 C C . GLY E 5 42 ? -4.565 29.025 9.331 1.00 31.19 ? 42 GLY E C 1 -ATOM 4797 O O . GLY E 5 42 ? -4.127 28.599 8.260 1.00 37.31 ? 42 GLY E O 1 -ATOM 4798 N N . LEU E 5 43 ? -3.905 29.893 10.090 1.00 30.72 ? 43 LEU E N 1 -ATOM 4799 C CA . LEU E 5 43 ? -2.587 30.408 9.715 1.00 24.93 ? 43 LEU E CA 1 -ATOM 4800 C C . LEU E 5 43 ? -1.517 29.628 10.466 1.00 22.99 ? 43 LEU E C 1 -ATOM 4801 O O . LEU E 5 43 ? -1.773 29.097 11.535 1.00 30.22 ? 43 LEU E O 1 -ATOM 4802 C CB . LEU E 5 43 ? -2.477 31.898 10.047 1.00 24.57 ? 43 LEU E CB 1 -ATOM 4803 C CG . LEU E 5 43 ? -3.506 32.842 9.406 1.00 35.01 ? 43 LEU E CG 1 -ATOM 4804 C CD1 . LEU E 5 43 ? -3.447 34.218 10.046 1.00 42.52 ? 43 LEU E CD1 1 -ATOM 4805 C CD2 . LEU E 5 43 ? -3.288 32.962 7.908 1.00 36.91 ? 43 LEU E CD2 1 -ATOM 4806 N N . ARG E 5 44 ? -0.321 29.556 9.899 1.00 16.76 ? 44 ARG E N 1 -ATOM 4807 C CA . ARG E 5 44 ? 0.792 28.847 10.496 1.00 17.67 ? 44 ARG E CA 1 -ATOM 4808 C C . ARG E 5 44 ? 2.053 29.670 10.279 1.00 24.58 ? 44 ARG E C 1 -ATOM 4809 O O . ARG E 5 44 ? 2.199 30.302 9.244 1.00 36.56 ? 44 ARG E O 1 -ATOM 4810 C CB . ARG E 5 44 ? 0.939 27.473 9.860 1.00 17.00 ? 44 ARG E CB 1 -ATOM 4811 C CG . ARG E 5 44 ? -0.161 26.504 10.265 1.00 19.78 ? 44 ARG E CG 1 -ATOM 4812 C CD . ARG E 5 44 ? 0.046 25.143 9.654 1.00 27.96 ? 44 ARG E CD 1 -ATOM 4813 N NE . ARG E 5 44 ? -0.279 25.144 8.227 1.00 41.28 ? 44 ARG E NE 1 -ATOM 4814 C CZ . ARG E 5 44 ? -0.270 24.067 7.445 1.00 35.67 ? 44 ARG E CZ 1 -ATOM 4815 N NH1 . ARG E 5 44 ? 0.049 22.880 7.933 1.00 37.50 ? 44 ARG E NH1 1 -ATOM 4816 N NH2 . ARG E 5 44 ? -0.574 24.179 6.164 1.00 40.13 ? 44 ARG E NH2 1 -ATOM 4817 N N . LEU E 5 45 ? 2.942 29.714 11.266 1.00 24.97 ? 45 LEU E N 1 -ATOM 4818 C CA . LEU E 5 45 ? 4.168 30.493 11.138 1.00 24.42 ? 45 LEU E CA 1 -ATOM 4819 C C . LEU E 5 45 ? 5.215 29.699 10.365 1.00 23.86 ? 45 LEU E C 1 -ATOM 4820 O O . LEU E 5 45 ? 5.406 28.501 10.592 1.00 29.16 ? 45 LEU E O 1 -ATOM 4821 C CB . LEU E 5 45 ? 4.700 30.892 12.523 1.00 24.05 ? 45 LEU E CB 1 -ATOM 4822 C CG . LEU E 5 45 ? 5.888 31.859 12.642 1.00 13.48 ? 45 LEU E CG 1 -ATOM 4823 C CD1 . LEU E 5 45 ? 5.431 33.262 12.414 1.00 11.28 ? 45 LEU E CD1 1 -ATOM 4824 C CD2 . LEU E 5 45 ? 6.482 31.766 14.015 1.00 16.46 ? 45 LEU E CD2 1 -ATOM 4825 N N . ILE E 5 46 ? 5.904 30.384 9.467 1.00 20.55 ? 46 ILE E N 1 -ATOM 4826 C CA . ILE E 5 46 ? 6.925 29.774 8.628 1.00 15.59 ? 46 ILE E CA 1 -ATOM 4827 C C . ILE E 5 46 ? 8.257 30.141 9.259 1.00 17.11 ? 46 ILE E C 1 -ATOM 4828 O O . ILE E 5 46 ? 9.023 29.272 9.657 1.00 26.92 ? 46 ILE E O 1 -ATOM 4829 C CB . ILE E 5 46 ? 6.832 30.343 7.145 1.00 18.98 ? 46 ILE E CB 1 -ATOM 4830 C CG1 . ILE E 5 46 ? 5.498 29.975 6.496 1.00 13.86 ? 46 ILE E CG1 1 -ATOM 4831 C CG2 . ILE E 5 46 ? 7.935 29.789 6.248 1.00 18.75 ? 46 ILE E CG2 1 -ATOM 4832 C CD1 . ILE E 5 46 ? 5.257 30.706 5.216 1.00 13.85 ? 46 ILE E CD1 1 -ATOM 4833 N N . HIS E 5 47 ? 8.522 31.440 9.350 1.00 16.07 ? 47 HIS E N 1 -ATOM 4834 C CA . HIS E 5 47 ? 9.750 31.982 9.921 1.00 13.81 ? 47 HIS E CA 1 -ATOM 4835 C C . HIS E 5 47 ? 9.369 33.322 10.501 1.00 16.07 ? 47 HIS E C 1 -ATOM 4836 O O . HIS E 5 47 ? 8.359 33.903 10.105 1.00 22.96 ? 47 HIS E O 1 -ATOM 4837 C CB . HIS E 5 47 ? 10.785 32.264 8.834 1.00 27.49 ? 47 HIS E CB 1 -ATOM 4838 C CG . HIS E 5 47 ? 11.608 31.076 8.427 1.00 34.29 ? 47 HIS E CG 1 -ATOM 4839 N ND1 . HIS E 5 47 ? 11.217 30.211 7.429 1.00 35.80 ? 47 HIS E ND1 1 -ATOM 4840 C CD2 . HIS E 5 47 ? 12.833 30.669 8.825 1.00 38.97 ? 47 HIS E CD2 1 -ATOM 4841 C CE1 . HIS E 5 47 ? 12.173 29.321 7.225 1.00 38.67 ? 47 HIS E CE1 1 -ATOM 4842 N NE2 . HIS E 5 47 ? 13.164 29.572 8.054 1.00 41.07 ? 47 HIS E NE2 1 -ATOM 4843 N N . TYR E 5 48 ? 10.177 33.829 11.420 1.00 20.53 ? 48 TYR E N 1 -ATOM 4844 C CA . TYR E 5 48 ? 9.920 35.131 12.030 1.00 20.69 ? 48 TYR E CA 1 -ATOM 4845 C C . TYR E 5 48 ? 11.261 35.763 12.291 1.00 19.04 ? 48 TYR E C 1 -ATOM 4846 O O . TYR E 5 48 ? 12.269 35.066 12.383 1.00 18.53 ? 48 TYR E O 1 -ATOM 4847 C CB . TYR E 5 48 ? 9.150 34.996 13.350 1.00 27.62 ? 48 TYR E CB 1 -ATOM 4848 C CG . TYR E 5 48 ? 9.931 34.327 14.457 1.00 31.57 ? 48 TYR E CG 1 -ATOM 4849 C CD1 . TYR E 5 48 ? 9.961 32.938 14.574 1.00 34.67 ? 48 TYR E CD1 1 -ATOM 4850 C CD2 . TYR E 5 48 ? 10.673 35.081 15.366 1.00 35.47 ? 48 TYR E CD2 1 -ATOM 4851 C CE1 . TYR E 5 48 ? 10.721 32.310 15.565 1.00 37.92 ? 48 TYR E CE1 1 -ATOM 4852 C CE2 . TYR E 5 48 ? 11.439 34.467 16.358 1.00 38.19 ? 48 TYR E CE2 1 -ATOM 4853 C CZ . TYR E 5 48 ? 11.458 33.078 16.453 1.00 39.39 ? 48 TYR E CZ 1 -ATOM 4854 O OH . TYR E 5 48 ? 12.236 32.454 17.412 1.00 44.15 ? 48 TYR E OH 1 -ATOM 4855 N N . SER E 5 49 ? 11.275 37.077 12.443 1.00 21.16 ? 49 SER E N 1 -ATOM 4856 C CA . SER E 5 49 ? 12.518 37.786 12.698 1.00 23.03 ? 49 SER E CA 1 -ATOM 4857 C C . SER E 5 49 ? 12.259 38.756 13.823 1.00 25.04 ? 49 SER E C 1 -ATOM 4858 O O . SER E 5 49 ? 11.329 39.560 13.766 1.00 31.05 ? 49 SER E O 1 -ATOM 4859 C CB . SER E 5 49 ? 12.972 38.533 11.454 1.00 18.47 ? 49 SER E CB 1 -ATOM 4860 O OG . SER E 5 49 ? 14.226 39.152 11.650 1.00 20.23 ? 49 SER E OG 1 -ATOM 4861 N N . VAL E 5 50 ? 13.050 38.632 14.879 1.00 25.25 ? 50 VAL E N 1 -ATOM 4862 C CA . VAL E 5 50 ? 12.895 39.498 16.033 1.00 23.20 ? 50 VAL E CA 1 -ATOM 4863 C C . VAL E 5 50 ? 13.622 40.803 15.794 1.00 27.30 ? 50 VAL E C 1 -ATOM 4864 O O . VAL E 5 50 ? 13.505 41.719 16.600 1.00 33.92 ? 50 VAL E O 1 -ATOM 4865 C CB . VAL E 5 50 ? 13.394 38.832 17.358 1.00 16.89 ? 50 VAL E CB 1 -ATOM 4866 C CG1 . VAL E 5 50 ? 12.692 37.496 17.583 1.00 8.05 ? 50 VAL E CG1 1 -ATOM 4867 C CG2 . VAL E 5 50 ? 14.912 38.664 17.364 1.00 9.63 ? 50 VAL E CG2 1 -ATOM 4868 N N . GLY E 5 51 ? 14.380 40.885 14.703 1.00 23.58 ? 51 GLY E N 1 -ATOM 4869 C CA . GLY E 5 51 ? 15.098 42.108 14.428 1.00 27.34 ? 51 GLY E CA 1 -ATOM 4870 C C . GLY E 5 51 ? 16.181 41.993 13.386 1.00 28.53 ? 51 GLY E C 1 -ATOM 4871 O O . GLY E 5 51 ? 16.611 40.897 13.035 1.00 33.16 ? 51 GLY E O 1 -ATOM 4872 N N . ALA E 5 52 ? 16.663 43.146 12.940 1.00 27.73 ? 52 ALA E N 1 -ATOM 4873 C CA . ALA E 5 52 ? 17.690 43.210 11.928 1.00 26.74 ? 52 ALA E CA 1 -ATOM 4874 C C . ALA E 5 52 ? 18.818 42.214 12.174 1.00 30.82 ? 52 ALA E C 1 -ATOM 4875 O O . ALA E 5 52 ? 19.384 42.155 13.262 1.00 38.09 ? 52 ALA E O 1 -ATOM 4876 C CB . ALA E 5 52 ? 18.234 44.640 11.834 1.00 22.30 ? 52 ALA E CB 1 -ATOM 4877 N N . GLY E 5 53 ? 19.062 41.371 11.179 1.00 35.44 ? 53 GLY E N 1 -ATOM 4878 C CA . GLY E 5 53 ? 20.136 40.398 11.237 1.00 33.44 ? 53 GLY E CA 1 -ATOM 4879 C C . GLY E 5 53 ? 19.825 39.109 11.950 1.00 35.06 ? 53 GLY E C 1 -ATOM 4880 O O . GLY E 5 53 ? 20.656 38.202 11.979 1.00 39.95 ? 53 GLY E O 1 -ATOM 4881 N N . ILE E 5 54 ? 18.617 38.989 12.474 1.00 32.54 ? 54 ILE E N 1 -ATOM 4882 C CA . ILE E 5 54 ? 18.261 37.797 13.217 1.00 33.29 ? 54 ILE E CA 1 -ATOM 4883 C C . ILE E 5 54 ? 17.061 37.112 12.590 1.00 36.25 ? 54 ILE E C 1 -ATOM 4884 O O . ILE E 5 54 ? 16.111 37.771 12.184 1.00 31.60 ? 54 ILE E O 1 -ATOM 4885 C CB . ILE E 5 54 ? 17.935 38.192 14.681 1.00 37.78 ? 54 ILE E CB 1 -ATOM 4886 C CG1 . ILE E 5 54 ? 19.103 38.969 15.294 1.00 30.07 ? 54 ILE E CG1 1 -ATOM 4887 C CG2 . ILE E 5 54 ? 17.600 36.949 15.503 1.00 38.33 ? 54 ILE E CG2 1 -ATOM 4888 C CD1 . ILE E 5 54 ? 18.686 40.020 16.286 1.00 41.28 ? 54 ILE E CD1 1 -ATOM 4889 N N . THR E 5 55 ? 17.076 35.777 12.548 1.00 40.37 ? 55 THR E N 1 -ATOM 4890 C CA . THR E 5 55 ? 15.966 35.006 11.959 1.00 42.94 ? 55 THR E CA 1 -ATOM 4891 C C . THR E 5 55 ? 15.858 33.642 12.634 1.00 40.26 ? 55 THR E C 1 -ATOM 4892 O O . THR E 5 55 ? 16.868 33.070 13.064 1.00 45.62 ? 55 THR E O 1 -ATOM 4893 C CB . THR E 5 55 ? 16.161 34.738 10.430 1.00 44.55 ? 55 THR E CB 1 -ATOM 4894 O OG1 . THR E 5 55 ? 17.398 34.048 10.215 1.00 53.14 ? 55 THR E OG1 1 -ATOM 4895 C CG2 . THR E 5 55 ? 16.162 36.048 9.634 1.00 44.24 ? 55 THR E CG2 1 -ATOM 4896 N N . ASP E 5 56 ? 14.643 33.093 12.696 1.00 32.35 ? 56 ASP E N 1 -ATOM 4897 C CA . ASP E 5 56 ? 14.429 31.781 13.292 1.00 32.67 ? 56 ASP E CA 1 -ATOM 4898 C C . ASP E 5 56 ? 13.182 31.155 12.719 1.00 33.15 ? 56 ASP E C 1 -ATOM 4899 O O . ASP E 5 56 ? 12.255 31.854 12.313 1.00 30.59 ? 56 ASP E O 1 -ATOM 4900 C CB . ASP E 5 56 ? 14.327 31.868 14.817 1.00 44.15 ? 56 ASP E CB 1 -ATOM 4901 C CG . ASP E 5 56 ? 15.354 30.987 15.529 1.00 44.99 ? 56 ASP E CG 1 -ATOM 4902 O OD1 . ASP E 5 56 ? 16.559 31.324 15.483 1.00 42.63 ? 56 ASP E OD1 1 -ATOM 4903 O OD2 . ASP E 5 56 ? 14.948 29.964 16.135 1.00 45.54 ? 56 ASP E OD2 1 -ATOM 4904 N N . GLN E 5 57 ? 13.173 29.827 12.689 1.00 35.01 ? 57 GLN E N 1 -ATOM 4905 C CA . GLN E 5 57 ? 12.066 29.072 12.126 1.00 35.12 ? 57 GLN E CA 1 -ATOM 4906 C C . GLN E 5 57 ? 10.843 28.963 13.001 1.00 34.13 ? 57 GLN E C 1 -ATOM 4907 O O . GLN E 5 57 ? 10.939 29.069 14.217 1.00 39.04 ? 57 GLN E O 1 -ATOM 4908 C CB . GLN E 5 57 ? 12.530 27.680 11.691 1.00 42.29 ? 57 GLN E CB 1 -ATOM 4909 C CG . GLN E 5 57 ? 13.269 26.891 12.748 1.00 59.72 ? 57 GLN E CG 1 -ATOM 4910 C CD . GLN E 5 57 ? 13.993 25.680 12.169 1.00 67.95 ? 57 GLN E CD 1 -ATOM 4911 O OE1 . GLN E 5 57 ? 14.703 25.785 11.161 1.00 65.20 ? 57 GLN E OE1 1 -ATOM 4912 N NE2 . GLN E 5 57 ? 13.837 24.528 12.820 1.00 72.87 ? 57 GLN E NE2 1 -ATOM 4913 N N . GLY E 5 58 ? 9.698 28.768 12.354 1.00 27.53 ? 58 GLY E N 1 -ATOM 4914 C CA . GLY E 5 58 ? 8.439 28.627 13.047 1.00 27.52 ? 58 GLY E CA 1 -ATOM 4915 C C . GLY E 5 58 ? 7.942 27.196 12.958 1.00 31.75 ? 58 GLY E C 1 -ATOM 4916 O O . GLY E 5 58 ? 8.747 26.260 12.938 1.00 36.89 ? 58 GLY E O 1 -ATOM 4917 N N . GLU E 5 59 ? 6.626 27.022 12.848 1.00 31.16 ? 59 GLU E N 1 -ATOM 4918 C CA . GLU E 5 59 ? 6.023 25.689 12.781 1.00 35.54 ? 59 GLU E CA 1 -ATOM 4919 C C . GLU E 5 59 ? 6.368 24.960 11.485 1.00 38.67 ? 59 GLU E C 1 -ATOM 4920 O O . GLU E 5 59 ? 6.962 23.880 11.513 1.00 43.16 ? 59 GLU E O 1 -ATOM 4921 C CB . GLU E 5 59 ? 4.494 25.778 12.959 1.00 31.21 ? 59 GLU E CB 1 -ATOM 4922 C CG . GLU E 5 59 ? 3.747 24.432 13.029 1.00 33.33 ? 59 GLU E CG 1 -ATOM 4923 C CD . GLU E 5 59 ? 2.215 24.572 13.100 1.00 39.09 ? 59 GLU E CD 1 -ATOM 4924 O OE1 . GLU E 5 59 ? 1.705 25.710 13.182 1.00 43.27 ? 59 GLU E OE1 1 -ATOM 4925 O OE2 . GLU E 5 59 ? 1.508 23.538 13.073 1.00 42.65 ? 59 GLU E OE2 1 -ATOM 4926 N N . VAL E 5 60 ? 6.060 25.590 10.355 1.00 42.46 ? 60 VAL E N 1 -ATOM 4927 C CA . VAL E 5 60 ? 6.289 25.003 9.029 1.00 37.84 ? 60 VAL E CA 1 -ATOM 4928 C C . VAL E 5 60 ? 7.338 25.740 8.200 1.00 35.16 ? 60 VAL E C 1 -ATOM 4929 O O . VAL E 5 60 ? 7.011 26.390 7.208 1.00 36.25 ? 60 VAL E O 1 -ATOM 4930 C CB . VAL E 5 60 ? 4.961 24.949 8.242 1.00 36.31 ? 60 VAL E CB 1 -ATOM 4931 C CG1 . VAL E 5 60 ? 4.060 23.878 8.837 1.00 37.78 ? 60 VAL E CG1 1 -ATOM 4932 C CG2 . VAL E 5 60 ? 4.250 26.319 8.287 1.00 24.74 ? 60 VAL E CG2 1 -ATOM 4933 N N . PRO E 5 61 ? 8.621 25.609 8.572 1.00 33.29 ? 61 PRO E N 1 -ATOM 4934 C CA . PRO E 5 61 ? 9.750 26.253 7.894 1.00 35.12 ? 61 PRO E CA 1 -ATOM 4935 C C . PRO E 5 61 ? 10.396 25.508 6.712 1.00 38.07 ? 61 PRO E C 1 -ATOM 4936 O O . PRO E 5 61 ? 11.282 26.059 6.042 1.00 39.36 ? 61 PRO E O 1 -ATOM 4937 C CB . PRO E 5 61 ? 10.753 26.405 9.030 1.00 31.40 ? 61 PRO E CB 1 -ATOM 4938 C CG . PRO E 5 61 ? 10.603 25.095 9.721 1.00 29.39 ? 61 PRO E CG 1 -ATOM 4939 C CD . PRO E 5 61 ? 9.087 24.931 9.798 1.00 27.92 ? 61 PRO E CD 1 -ATOM 4940 N N . ASN E 5 62 ? 9.988 24.268 6.471 1.00 39.84 ? 62 ASN E N 1 -ATOM 4941 C CA . ASN E 5 62 ? 10.573 23.473 5.390 1.00 43.78 ? 62 ASN E CA 1 -ATOM 4942 C C . ASN E 5 62 ? 10.242 23.963 3.982 1.00 42.13 ? 62 ASN E C 1 -ATOM 4943 O O . ASN E 5 62 ? 9.066 24.078 3.613 1.00 43.03 ? 62 ASN E O 1 -ATOM 4944 C CB . ASN E 5 62 ? 10.165 22.001 5.530 1.00 50.09 ? 62 ASN E CB 1 -ATOM 4945 C CG . ASN E 5 62 ? 10.906 21.291 6.655 1.00 51.59 ? 62 ASN E CG 1 -ATOM 4946 O OD1 . ASN E 5 62 ? 12.018 21.679 7.033 1.00 49.71 ? 62 ASN E OD1 1 -ATOM 4947 N ND2 . ASN E 5 62 ? 10.291 20.245 7.194 1.00 51.22 ? 62 ASN E ND2 1 -ATOM 4948 N N . GLY E 5 63 ? 11.287 24.244 3.204 1.00 36.16 ? 63 GLY E N 1 -ATOM 4949 C CA . GLY E 5 63 ? 11.104 24.702 1.841 1.00 31.58 ? 63 GLY E CA 1 -ATOM 4950 C C . GLY E 5 63 ? 11.340 26.182 1.618 1.00 31.89 ? 63 GLY E C 1 -ATOM 4951 O O . GLY E 5 63 ? 11.593 26.632 0.481 1.00 33.99 ? 63 GLY E O 1 -ATOM 4952 N N . TYR E 5 64 ? 11.272 26.950 2.697 1.00 27.76 ? 65 TYR E N 1 -ATOM 4953 C CA . TYR E 5 64 ? 11.471 28.384 2.603 1.00 26.93 ? 65 TYR E CA 1 -ATOM 4954 C C . TYR E 5 64 ? 12.715 28.816 3.356 1.00 29.55 ? 65 TYR E C 1 -ATOM 4955 O O . TYR E 5 64 ? 13.125 28.206 4.338 1.00 34.04 ? 65 TYR E O 1 -ATOM 4956 C CB . TYR E 5 64 ? 10.276 29.157 3.168 1.00 24.83 ? 65 TYR E CB 1 -ATOM 4957 C CG . TYR E 5 64 ? 8.900 28.624 2.804 1.00 24.14 ? 65 TYR E CG 1 -ATOM 4958 C CD1 . TYR E 5 64 ? 8.324 27.585 3.539 1.00 21.94 ? 65 TYR E CD1 1 -ATOM 4959 C CD2 . TYR E 5 64 ? 8.149 29.187 1.762 1.00 14.44 ? 65 TYR E CD2 1 -ATOM 4960 C CE1 . TYR E 5 64 ? 7.046 27.123 3.259 1.00 13.37 ? 65 TYR E CE1 1 -ATOM 4961 C CE2 . TYR E 5 64 ? 6.866 28.730 1.488 1.00 7.45 ? 65 TYR E CE2 1 -ATOM 4962 C CZ . TYR E 5 64 ? 6.328 27.700 2.239 1.00 8.09 ? 65 TYR E CZ 1 -ATOM 4963 O OH . TYR E 5 64 ? 5.050 27.253 2.000 1.00 23.58 ? 65 TYR E OH 1 -ATOM 4964 N N . ASN E 5 65 ? 13.325 29.871 2.853 1.00 32.54 ? 66 ASN E N 1 -ATOM 4965 C CA . ASN E 5 65 ? 14.502 30.473 3.444 1.00 29.94 ? 66 ASN E CA 1 -ATOM 4966 C C . ASN E 5 65 ? 14.011 31.871 3.746 1.00 31.20 ? 66 ASN E C 1 -ATOM 4967 O O . ASN E 5 65 ? 12.962 32.282 3.255 1.00 31.85 ? 66 ASN E O 1 -ATOM 4968 C CB . ASN E 5 65 ? 15.642 30.564 2.434 1.00 34.67 ? 66 ASN E CB 1 -ATOM 4969 C CG . ASN E 5 65 ? 16.449 29.277 2.338 1.00 48.39 ? 66 ASN E CG 1 -ATOM 4970 O OD1 . ASN E 5 65 ? 17.653 29.257 2.651 1.00 49.45 ? 66 ASN E OD1 1 -ATOM 4971 N ND2 . ASN E 5 65 ? 15.803 28.196 1.888 1.00 43.57 ? 66 ASN E ND2 1 -ATOM 4972 N N . VAL E 5 66 ? 14.725 32.598 4.585 1.00 33.18 ? 67 VAL E N 1 -ATOM 4973 C CA . VAL E 5 66 ? 14.301 33.948 4.891 1.00 32.66 ? 67 VAL E CA 1 -ATOM 4974 C C . VAL E 5 66 ? 15.518 34.709 5.352 1.00 34.14 ? 67 VAL E C 1 -ATOM 4975 O O . VAL E 5 66 ? 16.524 34.094 5.721 1.00 37.14 ? 67 VAL E O 1 -ATOM 4976 C CB . VAL E 5 66 ? 13.169 33.941 5.931 1.00 35.22 ? 67 VAL E CB 1 -ATOM 4977 C CG1 . VAL E 5 66 ? 13.721 33.952 7.364 1.00 35.90 ? 67 VAL E CG1 1 -ATOM 4978 C CG2 . VAL E 5 66 ? 12.211 35.065 5.645 1.00 33.62 ? 67 VAL E CG2 1 -ATOM 4979 N N . SER E 5 67 ? 15.480 36.031 5.236 1.00 34.42 ? 68 SER E N 1 -ATOM 4980 C CA . SER E 5 67 ? 16.619 36.855 5.640 1.00 35.07 ? 68 SER E CA 1 -ATOM 4981 C C . SER E 5 67 ? 16.129 38.221 6.097 1.00 33.10 ? 68 SER E C 1 -ATOM 4982 O O . SER E 5 67 ? 14.987 38.603 5.815 1.00 32.13 ? 68 SER E O 1 -ATOM 4983 C CB . SER E 5 67 ? 17.635 36.984 4.492 1.00 38.20 ? 68 SER E CB 1 -ATOM 4984 O OG . SER E 5 67 ? 17.007 37.361 3.274 1.00 47.19 ? 68 SER E OG 1 -ATOM 4985 N N . ARG E 5 68 ? 16.996 38.956 6.786 1.00 32.37 ? 69 ARG E N 1 -ATOM 4986 C CA . ARG E 5 68 ? 16.627 40.263 7.324 1.00 32.78 ? 69 ARG E CA 1 -ATOM 4987 C C . ARG E 5 68 ? 17.853 41.161 7.437 1.00 33.70 ? 69 ARG E C 1 -ATOM 4988 O O . ARG E 5 68 ? 18.416 41.300 8.513 1.00 40.27 ? 69 ARG E O 1 -ATOM 4989 C CB . ARG E 5 68 ? 16.017 40.061 8.718 1.00 27.68 ? 69 ARG E CB 1 -ATOM 4990 C CG . ARG E 5 68 ? 15.496 41.298 9.374 1.00 29.64 ? 69 ARG E CG 1 -ATOM 4991 C CD . ARG E 5 68 ? 14.150 41.666 8.821 1.00 32.74 ? 69 ARG E CD 1 -ATOM 4992 N NE . ARG E 5 68 ? 13.584 42.814 9.523 1.00 37.94 ? 69 ARG E NE 1 -ATOM 4993 C CZ . ARG E 5 68 ? 13.013 42.749 10.721 1.00 37.74 ? 69 ARG E CZ 1 -ATOM 4994 N NH1 . ARG E 5 68 ? 12.930 41.585 11.354 1.00 34.15 ? 69 ARG E NH1 1 -ATOM 4995 N NH2 . ARG E 5 68 ? 12.528 43.849 11.285 1.00 33.65 ? 69 ARG E NH2 1 -ATOM 4996 N N . SER E 5 69 ? 18.293 41.752 6.337 1.00 35.24 ? 70 SER E N 1 -ATOM 4997 C CA . SER E 5 69 ? 19.468 42.618 6.378 1.00 36.18 ? 70 SER E CA 1 -ATOM 4998 C C . SER E 5 69 ? 19.063 44.043 6.703 1.00 36.80 ? 70 SER E C 1 -ATOM 4999 O O . SER E 5 69 ? 19.908 44.912 6.930 1.00 39.73 ? 70 SER E O 1 -ATOM 5000 C CB . SER E 5 69 ? 20.217 42.556 5.047 1.00 37.81 ? 70 SER E CB 1 -ATOM 5001 O OG . SER E 5 69 ? 19.356 42.100 4.017 1.00 43.02 ? 70 SER E OG 1 -ATOM 5002 N N . THR E 5 70 ? 17.756 44.275 6.713 1.00 34.40 ? 71 THR E N 1 -ATOM 5003 C CA . THR E 5 70 ? 17.199 45.578 7.021 1.00 33.57 ? 71 THR E CA 1 -ATOM 5004 C C . THR E 5 70 ? 15.987 45.396 7.919 1.00 31.36 ? 71 THR E C 1 -ATOM 5005 O O . THR E 5 70 ? 15.362 44.349 7.919 1.00 34.46 ? 71 THR E O 1 -ATOM 5006 C CB . THR E 5 70 ? 16.759 46.275 5.757 1.00 35.75 ? 71 THR E CB 1 -ATOM 5007 O OG1 . THR E 5 70 ? 16.115 45.324 4.894 1.00 38.76 ? 71 THR E OG1 1 -ATOM 5008 C CG2 . THR E 5 70 ? 17.949 46.890 5.068 1.00 41.55 ? 71 THR E CG2 1 -ATOM 5009 N N . THR E 5 71 ? 15.674 46.400 8.717 1.00 29.58 ? 72 THR E N 1 -ATOM 5010 C CA . THR E 5 71 ? 14.527 46.295 9.591 1.00 32.65 ? 72 THR E CA 1 -ATOM 5011 C C . THR E 5 71 ? 13.269 46.570 8.777 1.00 31.59 ? 72 THR E C 1 -ATOM 5012 O O . THR E 5 71 ? 12.158 46.240 9.184 1.00 35.78 ? 72 THR E O 1 -ATOM 5013 C CB . THR E 5 71 ? 14.643 47.275 10.791 1.00 36.96 ? 72 THR E CB 1 -ATOM 5014 O OG1 . THR E 5 71 ? 13.359 47.445 11.408 1.00 42.51 ? 72 THR E OG1 1 -ATOM 5015 C CG2 . THR E 5 71 ? 15.185 48.629 10.343 1.00 30.91 ? 72 THR E CG2 1 -ATOM 5016 N N . GLU E 5 72 ? 13.463 47.140 7.597 1.00 30.79 ? 73 GLU E N 1 -ATOM 5017 C CA . GLU E 5 72 ? 12.353 47.482 6.725 1.00 29.47 ? 73 GLU E CA 1 -ATOM 5018 C C . GLU E 5 72 ? 11.804 46.325 5.899 1.00 27.30 ? 73 GLU E C 1 -ATOM 5019 O O . GLU E 5 72 ? 10.586 46.241 5.719 1.00 30.76 ? 73 GLU E O 1 -ATOM 5020 C CB . GLU E 5 72 ? 12.741 48.641 5.802 1.00 33.99 ? 73 GLU E CB 1 -ATOM 5021 C CG . GLU E 5 72 ? 12.984 49.970 6.518 1.00 42.48 ? 73 GLU E CG 1 -ATOM 5022 C CD . GLU E 5 72 ? 14.457 50.302 6.744 1.00 45.45 ? 73 GLU E CD 1 -ATOM 5023 O OE1 . GLU E 5 72 ? 15.327 49.419 6.598 1.00 47.70 ? 73 GLU E OE1 1 -ATOM 5024 O OE2 . GLU E 5 72 ? 14.749 51.473 7.066 1.00 54.89 ? 73 GLU E OE2 1 -ATOM 5025 N N . ASP E 5 73 ? 12.677 45.410 5.454 1.00 24.01 ? 74 ASP E N 1 -ATOM 5026 C CA . ASP E 5 73 ? 12.257 44.279 4.609 1.00 20.12 ? 74 ASP E CA 1 -ATOM 5027 C C . ASP E 5 73 ? 12.551 42.906 5.183 1.00 16.76 ? 74 ASP E C 1 -ATOM 5028 O O . ASP E 5 73 ? 13.587 42.705 5.786 1.00 20.65 ? 74 ASP E O 1 -ATOM 5029 C CB . ASP E 5 73 ? 12.921 44.364 3.220 1.00 32.50 ? 74 ASP E CB 1 -ATOM 5030 C CG . ASP E 5 73 ? 12.879 45.772 2.616 1.00 32.71 ? 74 ASP E CG 1 -ATOM 5031 O OD1 . ASP E 5 73 ? 11.799 46.199 2.131 1.00 30.48 ? 74 ASP E OD1 1 -ATOM 5032 O OD2 . ASP E 5 73 ? 13.942 46.441 2.634 1.00 33.30 ? 74 ASP E OD2 1 -ATOM 5033 N N . PHE E 5 74 ? 11.672 41.949 4.893 1.00 21.48 ? 75 PHE E N 1 -ATOM 5034 C CA . PHE E 5 74 ? 11.783 40.548 5.352 1.00 21.67 ? 75 PHE E CA 1 -ATOM 5035 C C . PHE E 5 74 ? 11.276 39.644 4.183 1.00 23.16 ? 75 PHE E C 1 -ATOM 5036 O O . PHE E 5 74 ? 10.118 39.222 4.168 1.00 23.83 ? 75 PHE E O 1 -ATOM 5037 C CB . PHE E 5 74 ? 10.905 40.363 6.620 1.00 17.45 ? 75 PHE E CB 1 -ATOM 5038 C CG . PHE E 5 74 ? 11.091 39.034 7.323 1.00 17.97 ? 75 PHE E CG 1 -ATOM 5039 C CD1 . PHE E 5 74 ? 12.370 38.567 7.649 1.00 17.87 ? 75 PHE E CD1 1 -ATOM 5040 C CD2 . PHE E 5 74 ? 9.987 38.233 7.632 1.00 13.49 ? 75 PHE E CD2 1 -ATOM 5041 C CE1 . PHE E 5 74 ? 12.544 37.310 8.269 1.00 15.43 ? 75 PHE E CE1 1 -ATOM 5042 C CE2 . PHE E 5 74 ? 10.145 36.986 8.246 1.00 10.22 ? 75 PHE E CE2 1 -ATOM 5043 C CZ . PHE E 5 74 ? 11.424 36.521 8.563 1.00 9.07 ? 75 PHE E CZ 1 -ATOM 5044 N N . PRO E 5 75 ? 12.129 39.367 3.181 1.00 20.65 ? 76 PRO E N 1 -ATOM 5045 C CA . PRO E 5 75 ? 11.807 38.545 2.001 1.00 17.07 ? 76 PRO E CA 1 -ATOM 5046 C C . PRO E 5 75 ? 11.730 37.030 2.172 1.00 21.28 ? 76 PRO E C 1 -ATOM 5047 O O . PRO E 5 75 ? 12.697 36.390 2.596 1.00 28.69 ? 76 PRO E O 1 -ATOM 5048 C CB . PRO E 5 75 ? 12.922 38.906 1.029 1.00 22.94 ? 76 PRO E CB 1 -ATOM 5049 C CG . PRO E 5 75 ? 14.101 39.100 1.936 1.00 22.67 ? 76 PRO E CG 1 -ATOM 5050 C CD . PRO E 5 75 ? 13.507 39.895 3.097 1.00 21.80 ? 76 PRO E CD 1 -ATOM 5051 N N . LEU E 5 76 ? 10.620 36.448 1.735 1.00 18.53 ? 77 LEU E N 1 -ATOM 5052 C CA . LEU E 5 76 ? 10.401 35.007 1.825 1.00 16.76 ? 77 LEU E CA 1 -ATOM 5053 C C . LEU E 5 76 ? 10.755 34.250 0.539 1.00 23.22 ? 77 LEU E C 1 -ATOM 5054 O O . LEU E 5 76 ? 9.991 34.283 -0.418 1.00 29.09 ? 77 LEU E O 1 -ATOM 5055 C CB . LEU E 5 76 ? 8.937 34.741 2.148 1.00 14.15 ? 77 LEU E CB 1 -ATOM 5056 C CG . LEU E 5 76 ? 8.533 33.275 2.116 1.00 13.38 ? 77 LEU E CG 1 -ATOM 5057 C CD1 . LEU E 5 76 ? 9.439 32.502 3.065 1.00 14.81 ? 77 LEU E CD1 1 -ATOM 5058 C CD2 . LEU E 5 76 ? 7.062 33.105 2.489 1.00 9.27 ? 77 LEU E CD2 1 -ATOM 5059 N N . ARG E 5 77 ? 11.844 33.489 0.550 1.00 22.41 ? 78 ARG E N 1 -ATOM 5060 C CA . ARG E 5 77 ? 12.278 32.725 -0.625 1.00 17.94 ? 78 ARG E CA 1 -ATOM 5061 C C . ARG E 5 77 ? 11.860 31.271 -0.662 1.00 18.89 ? 78 ARG E C 1 -ATOM 5062 O O . ARG E 5 77 ? 11.974 30.557 0.321 1.00 26.03 ? 78 ARG E O 1 -ATOM 5063 C CB . ARG E 5 77 ? 13.817 32.807 -0.795 1.00 12.27 ? 78 ARG E CB 1 -ATOM 5064 N N . LEU E 5 78 ? 11.319 30.858 -1.798 1.00 26.58 ? 79 LEU E N 1 -ATOM 5065 C CA . LEU E 5 78 ? 10.955 29.465 -2.065 1.00 30.29 ? 79 LEU E CA 1 -ATOM 5066 C C . LEU E 5 78 ? 12.098 29.061 -3.031 1.00 34.84 ? 79 LEU E C 1 -ATOM 5067 O O . LEU E 5 78 ? 12.127 29.516 -4.182 1.00 33.66 ? 79 LEU E O 1 -ATOM 5068 C CB . LEU E 5 78 ? 9.596 29.368 -2.788 1.00 21.05 ? 79 LEU E CB 1 -ATOM 5069 C CG . LEU E 5 78 ? 8.258 29.462 -2.042 1.00 21.18 ? 79 LEU E CG 1 -ATOM 5070 C CD1 . LEU E 5 78 ? 7.958 30.870 -1.593 1.00 23.99 ? 79 LEU E CD1 1 -ATOM 5071 C CD2 . LEU E 5 78 ? 7.146 28.979 -2.943 1.00 15.42 ? 79 LEU E CD2 1 -ATOM 5072 N N . LEU E 5 79 ? 13.065 28.269 -2.564 1.00 37.05 ? 80 LEU E N 1 -ATOM 5073 C CA . LEU E 5 79 ? 14.192 27.907 -3.425 1.00 36.70 ? 80 LEU E CA 1 -ATOM 5074 C C . LEU E 5 79 ? 13.894 27.033 -4.649 1.00 34.86 ? 80 LEU E C 1 -ATOM 5075 O O . LEU E 5 79 ? 14.579 27.140 -5.663 1.00 33.14 ? 80 LEU E O 1 -ATOM 5076 C CB . LEU E 5 79 ? 15.358 27.352 -2.604 1.00 45.16 ? 80 LEU E CB 1 -ATOM 5077 C CG . LEU E 5 79 ? 16.240 28.441 -1.966 1.00 52.37 ? 80 LEU E CG 1 -ATOM 5078 C CD1 . LEU E 5 79 ? 17.503 27.818 -1.369 1.00 54.14 ? 80 LEU E CD1 1 -ATOM 5079 C CD2 . LEU E 5 79 ? 16.641 29.481 -3.023 1.00 54.43 ? 80 LEU E CD2 1 -ATOM 5080 N N . SER E 5 80 ? 12.877 26.183 -4.553 1.00 31.80 ? 81 SER E N 1 -ATOM 5081 C CA . SER E 5 80 ? 12.461 25.321 -5.655 1.00 31.81 ? 81 SER E CA 1 -ATOM 5082 C C . SER E 5 80 ? 11.048 24.885 -5.334 1.00 26.50 ? 81 SER E C 1 -ATOM 5083 O O . SER E 5 80 ? 10.829 24.017 -4.499 1.00 27.66 ? 81 SER E O 1 -ATOM 5084 C CB . SER E 5 80 ? 13.400 24.115 -5.862 1.00 37.98 ? 81 SER E CB 1 -ATOM 5085 O OG . SER E 5 80 ? 13.399 23.210 -4.772 1.00 52.34 ? 81 SER E OG 1 -ATOM 5086 N N . ALA E 5 81 ? 10.092 25.541 -5.983 1.00 23.49 ? 82 ALA E N 1 -ATOM 5087 C CA . ALA E 5 81 ? 8.680 25.305 -5.761 1.00 19.68 ? 82 ALA E CA 1 -ATOM 5088 C C . ALA E 5 81 ? 8.208 23.851 -5.809 1.00 24.94 ? 82 ALA E C 1 -ATOM 5089 O O . ALA E 5 81 ? 8.818 22.988 -6.463 1.00 28.22 ? 82 ALA E O 1 -ATOM 5090 C CB . ALA E 5 81 ? 7.861 26.178 -6.685 1.00 12.13 ? 82 ALA E CB 1 -ATOM 5091 N N . ALA E 5 82 ? 7.114 23.610 -5.087 1.00 24.24 ? 83 ALA E N 1 -ATOM 5092 C CA . ALA E 5 82 ? 6.477 22.307 -4.960 1.00 23.66 ? 83 ALA E CA 1 -ATOM 5093 C C . ALA E 5 82 ? 4.985 22.579 -4.779 1.00 26.55 ? 83 ALA E C 1 -ATOM 5094 O O . ALA E 5 82 ? 4.612 23.564 -4.141 1.00 30.50 ? 83 ALA E O 1 -ATOM 5095 C CB . ALA E 5 82 ? 7.024 21.587 -3.732 1.00 25.41 ? 83 ALA E CB 1 -ATOM 5096 N N . PRO E 5 83 ? 4.115 21.692 -5.298 1.00 20.04 ? 84 PRO E N 1 -ATOM 5097 C CA . PRO E 5 83 ? 2.656 21.802 -5.222 1.00 20.18 ? 84 PRO E CA 1 -ATOM 5098 C C . PRO E 5 83 ? 2.103 22.079 -3.836 1.00 27.82 ? 84 PRO E C 1 -ATOM 5099 O O . PRO E 5 83 ? 1.048 22.702 -3.688 1.00 29.81 ? 84 PRO E O 1 -ATOM 5100 C CB . PRO E 5 83 ? 2.201 20.453 -5.741 1.00 17.98 ? 84 PRO E CB 1 -ATOM 5101 C CG . PRO E 5 83 ? 3.255 20.134 -6.748 1.00 17.36 ? 84 PRO E CG 1 -ATOM 5102 C CD . PRO E 5 83 ? 4.501 20.479 -6.030 1.00 15.72 ? 84 PRO E CD 1 -ATOM 5103 N N . SER E 5 84 ? 2.813 21.607 -2.819 1.00 30.22 ? 85 SER E N 1 -ATOM 5104 C CA . SER E 5 84 ? 2.397 21.794 -1.434 1.00 29.29 ? 85 SER E CA 1 -ATOM 5105 C C . SER E 5 84 ? 2.466 23.259 -0.970 1.00 30.55 ? 85 SER E C 1 -ATOM 5106 O O . SER E 5 84 ? 1.725 23.671 -0.074 1.00 31.93 ? 85 SER E O 1 -ATOM 5107 C CB . SER E 5 84 ? 3.253 20.901 -0.529 1.00 31.14 ? 85 SER E CB 1 -ATOM 5108 O OG . SER E 5 84 ? 4.617 20.932 -0.927 1.00 32.85 ? 85 SER E OG 1 -ATOM 5109 N N . GLN E 5 85 ? 3.357 24.037 -1.580 1.00 30.18 ? 86 GLN E N 1 -ATOM 5110 C CA . GLN E 5 85 ? 3.524 25.441 -1.226 1.00 28.69 ? 86 GLN E CA 1 -ATOM 5111 C C . GLN E 5 85 ? 2.429 26.336 -1.826 1.00 29.28 ? 86 GLN E C 1 -ATOM 5112 O O . GLN E 5 85 ? 2.481 27.565 -1.741 1.00 28.86 ? 86 GLN E O 1 -ATOM 5113 C CB . GLN E 5 85 ? 4.923 25.911 -1.610 1.00 22.66 ? 86 GLN E CB 1 -ATOM 5114 C CG . GLN E 5 85 ? 5.990 24.941 -1.116 1.00 25.92 ? 86 GLN E CG 1 -ATOM 5115 C CD . GLN E 5 85 ? 7.385 25.505 -1.143 1.00 23.95 ? 86 GLN E CD 1 -ATOM 5116 O OE1 . GLN E 5 85 ? 8.326 24.862 -1.582 1.00 32.50 ? 86 GLN E OE1 1 -ATOM 5117 N NE2 . GLN E 5 85 ? 7.530 26.704 -0.643 1.00 42.68 ? 86 GLN E NE2 1 -ATOM 5118 N N . THR E 5 86 ? 1.422 25.701 -2.412 1.00 28.26 ? 87 THR E N 1 -ATOM 5119 C CA . THR E 5 86 ? 0.295 26.401 -3.002 1.00 26.71 ? 87 THR E CA 1 -ATOM 5120 C C . THR E 5 86 ? -0.543 26.911 -1.837 1.00 28.63 ? 87 THR E C 1 -ATOM 5121 O O . THR E 5 86 ? -1.185 26.126 -1.144 1.00 32.66 ? 87 THR E O 1 -ATOM 5122 C CB . THR E 5 86 ? -0.542 25.428 -3.867 1.00 20.06 ? 87 THR E CB 1 -ATOM 5123 O OG1 . THR E 5 86 ? 0.247 24.967 -4.966 1.00 18.81 ? 87 THR E OG1 1 -ATOM 5124 C CG2 . THR E 5 86 ? -1.784 26.098 -4.401 1.00 16.49 ? 87 THR E CG2 1 -ATOM 5125 N N . SER E 5 87 ? -0.538 28.221 -1.622 1.00 28.94 ? 88 SER E N 1 -ATOM 5126 C CA . SER E 5 87 ? -1.285 28.798 -0.518 1.00 30.51 ? 88 SER E CA 1 -ATOM 5127 C C . SER E 5 87 ? -1.321 30.320 -0.650 1.00 30.45 ? 88 SER E C 1 -ATOM 5128 O O . SER E 5 87 ? -0.913 30.872 -1.668 1.00 32.34 ? 88 SER E O 1 -ATOM 5129 C CB . SER E 5 87 ? -0.599 28.379 0.796 1.00 35.72 ? 88 SER E CB 1 -ATOM 5130 O OG . SER E 5 87 ? -1.325 28.765 1.946 1.00 40.28 ? 88 SER E OG 1 -ATOM 5131 N N . VAL E 5 88 ? -1.863 30.986 0.368 1.00 32.55 ? 89 VAL E N 1 -ATOM 5132 C CA . VAL E 5 88 ? -1.956 32.453 0.425 1.00 24.25 ? 89 VAL E CA 1 -ATOM 5133 C C . VAL E 5 88 ? -0.998 32.807 1.547 1.00 17.51 ? 89 VAL E C 1 -ATOM 5134 O O . VAL E 5 88 ? -1.130 32.270 2.631 1.00 16.05 ? 89 VAL E O 1 -ATOM 5135 C CB . VAL E 5 88 ? -3.374 32.906 0.813 1.00 21.37 ? 89 VAL E CB 1 -ATOM 5136 C CG1 . VAL E 5 88 ? -3.438 34.399 0.903 1.00 21.64 ? 89 VAL E CG1 1 -ATOM 5137 C CG2 . VAL E 5 88 ? -4.370 32.414 -0.209 1.00 22.40 ? 89 VAL E CG2 1 -ATOM 5138 N N . TYR E 5 89 ? -0.004 33.645 1.259 1.00 17.79 ? 90 TYR E N 1 -ATOM 5139 C CA . TYR E 5 89 ? 1.025 34.030 2.220 1.00 9.51 ? 90 TYR E CA 1 -ATOM 5140 C C . TYR E 5 89 ? 0.817 35.424 2.764 1.00 17.78 ? 90 TYR E C 1 -ATOM 5141 O O . TYR E 5 89 ? 0.513 36.344 2.007 1.00 17.00 ? 90 TYR E O 1 -ATOM 5142 C CB . TYR E 5 89 ? 2.408 33.962 1.573 1.00 13.87 ? 90 TYR E CB 1 -ATOM 5143 C CG . TYR E 5 89 ? 2.834 32.568 1.143 1.00 22.71 ? 90 TYR E CG 1 -ATOM 5144 C CD1 . TYR E 5 89 ? 2.101 31.849 0.198 1.00 26.04 ? 90 TYR E CD1 1 -ATOM 5145 C CD2 . TYR E 5 89 ? 3.949 31.954 1.706 1.00 26.10 ? 90 TYR E CD2 1 -ATOM 5146 C CE1 . TYR E 5 89 ? 2.464 30.551 -0.171 1.00 23.84 ? 90 TYR E CE1 1 -ATOM 5147 C CE2 . TYR E 5 89 ? 4.321 30.656 1.338 1.00 31.22 ? 90 TYR E CE2 1 -ATOM 5148 C CZ . TYR E 5 89 ? 3.566 29.959 0.399 1.00 30.23 ? 90 TYR E CZ 1 -ATOM 5149 O OH . TYR E 5 89 ? 3.894 28.668 0.040 1.00 26.61 ? 90 TYR E OH 1 -ATOM 5150 N N . PHE E 5 90 ? 0.969 35.569 4.084 1.00 21.95 ? 91 PHE E N 1 -ATOM 5151 C CA . PHE E 5 90 ? 0.800 36.855 4.758 1.00 17.05 ? 91 PHE E CA 1 -ATOM 5152 C C . PHE E 5 90 ? 2.037 37.253 5.527 1.00 19.25 ? 91 PHE E C 1 -ATOM 5153 O O . PHE E 5 90 ? 2.690 36.420 6.135 1.00 22.14 ? 91 PHE E O 1 -ATOM 5154 C CB . PHE E 5 90 ? -0.363 36.806 5.718 1.00 15.44 ? 91 PHE E CB 1 -ATOM 5155 C CG . PHE E 5 90 ? -1.668 36.619 5.052 1.00 17.98 ? 91 PHE E CG 1 -ATOM 5156 C CD1 . PHE E 5 90 ? -2.365 37.709 4.560 1.00 15.58 ? 91 PHE E CD1 1 -ATOM 5157 C CD2 . PHE E 5 90 ? -2.216 35.350 4.930 1.00 16.29 ? 91 PHE E CD2 1 -ATOM 5158 C CE1 . PHE E 5 90 ? -3.601 37.539 3.952 1.00 19.19 ? 91 PHE E CE1 1 -ATOM 5159 C CE2 . PHE E 5 90 ? -3.457 35.167 4.323 1.00 18.80 ? 91 PHE E CE2 1 -ATOM 5160 C CZ . PHE E 5 90 ? -4.150 36.263 3.834 1.00 17.80 ? 91 PHE E CZ 1 -ATOM 5161 N N . CYS E 5 91 ? 2.340 38.541 5.521 1.00 17.30 ? 92 CYS E N 1 -ATOM 5162 C CA . CYS E 5 91 ? 3.489 39.034 6.223 1.00 15.40 ? 92 CYS E CA 1 -ATOM 5163 C C . CYS E 5 91 ? 2.959 39.861 7.368 1.00 23.03 ? 92 CYS E C 1 -ATOM 5164 O O . CYS E 5 91 ? 1.932 40.529 7.211 1.00 24.32 ? 92 CYS E O 1 -ATOM 5165 C CB . CYS E 5 91 ? 4.301 39.910 5.312 1.00 15.57 ? 92 CYS E CB 1 -ATOM 5166 S SG . CYS E 5 91 ? 5.840 40.403 6.119 1.00 39.87 ? 92 CYS E SG 1 -ATOM 5167 N N . ALA E 5 92 ? 3.643 39.832 8.507 1.00 25.11 ? 93 ALA E N 1 -ATOM 5168 C CA . ALA E 5 92 ? 3.206 40.595 9.676 1.00 25.98 ? 93 ALA E CA 1 -ATOM 5169 C C . ALA E 5 92 ? 4.342 41.244 10.423 1.00 25.88 ? 93 ALA E C 1 -ATOM 5170 O O . ALA E 5 92 ? 5.477 40.790 10.366 1.00 30.81 ? 93 ALA E O 1 -ATOM 5171 C CB . ALA E 5 92 ? 2.431 39.715 10.620 1.00 25.70 ? 93 ALA E CB 1 -ATOM 5172 N N . SER E 5 93 ? 4.038 42.333 11.104 1.00 27.02 ? 94 SER E N 1 -ATOM 5173 C CA . SER E 5 93 ? 5.051 43.009 11.885 1.00 29.91 ? 94 SER E CA 1 -ATOM 5174 C C . SER E 5 93 ? 4.452 43.590 13.181 1.00 29.37 ? 94 SER E C 1 -ATOM 5175 O O . SER E 5 93 ? 3.224 43.723 13.319 1.00 19.73 ? 94 SER E O 1 -ATOM 5176 C CB . SER E 5 93 ? 5.785 44.075 11.040 1.00 26.32 ? 94 SER E CB 1 -ATOM 5177 O OG . SER E 5 93 ? 5.062 45.289 10.920 1.00 30.88 ? 94 SER E OG 1 -ATOM 5178 N N . SER E 5 94 ? 5.327 43.798 14.164 1.00 28.15 ? 95 SER E N 1 -ATOM 5179 C CA . SER E 5 94 ? 4.975 44.361 15.460 1.00 25.49 ? 95 SER E CA 1 -ATOM 5180 C C . SER E 5 94 ? 6.263 44.889 16.085 1.00 26.94 ? 95 SER E C 1 -ATOM 5181 O O . SER E 5 94 ? 7.363 44.658 15.560 1.00 27.28 ? 95 SER E O 1 -ATOM 5182 C CB . SER E 5 94 ? 4.269 43.329 16.372 1.00 25.59 ? 95 SER E CB 1 -ATOM 5183 O OG . SER E 5 94 ? 5.013 42.137 16.601 1.00 25.70 ? 95 SER E OG 1 -ATOM 5184 N N . TYR E 5 95 ? 6.126 45.633 17.177 1.00 29.07 ? 96 TYR E N 1 -ATOM 5185 C CA . TYR E 5 95 ? 7.268 46.219 17.877 1.00 27.64 ? 96 TYR E CA 1 -ATOM 5186 C C . TYR E 5 95 ? 7.070 45.911 19.354 1.00 25.84 ? 96 TYR E C 1 -ATOM 5187 O O . TYR E 5 95 ? 6.622 46.758 20.128 1.00 24.34 ? 96 TYR E O 1 -ATOM 5188 C CB . TYR E 5 95 ? 7.268 47.722 17.635 1.00 25.19 ? 96 TYR E CB 1 -ATOM 5189 C CG . TYR E 5 95 ? 8.380 48.496 18.281 1.00 23.44 ? 96 TYR E CG 1 -ATOM 5190 C CD1 . TYR E 5 95 ? 9.637 47.936 18.497 1.00 18.59 ? 96 TYR E CD1 1 -ATOM 5191 C CD2 . TYR E 5 95 ? 8.185 49.824 18.618 1.00 30.74 ? 96 TYR E CD2 1 -ATOM 5192 C CE1 . TYR E 5 95 ? 10.669 48.697 19.027 1.00 23.33 ? 96 TYR E CE1 1 -ATOM 5193 C CE2 . TYR E 5 95 ? 9.199 50.593 19.147 1.00 30.68 ? 96 TYR E CE2 1 -ATOM 5194 C CZ . TYR E 5 95 ? 10.439 50.036 19.349 1.00 30.95 ? 96 TYR E CZ 1 -ATOM 5195 O OH . TYR E 5 95 ? 11.433 50.859 19.852 1.00 37.20 ? 96 TYR E OH 1 -ATOM 5196 N N . PRO E 5 96 ? 7.411 44.680 19.756 1.00 25.23 ? 97 PRO E N 1 -ATOM 5197 C CA . PRO E 5 96 ? 7.297 44.162 21.124 1.00 27.81 ? 97 PRO E CA 1 -ATOM 5198 C C . PRO E 5 96 ? 7.955 45.007 22.244 1.00 26.91 ? 97 PRO E C 1 -ATOM 5199 O O . PRO E 5 96 ? 7.265 45.479 23.164 1.00 21.63 ? 97 PRO E O 1 -ATOM 5200 C CB . PRO E 5 96 ? 7.920 42.758 21.000 1.00 27.09 ? 97 PRO E CB 1 -ATOM 5201 C CG . PRO E 5 96 ? 7.633 42.380 19.566 1.00 19.74 ? 97 PRO E CG 1 -ATOM 5202 C CD . PRO E 5 96 ? 7.995 43.657 18.866 1.00 22.22 ? 97 PRO E CD 1 -ATOM 5203 N N . GLY E 5 97 ? 9.270 45.208 22.140 1.00 24.51 ? 98 GLY E N 1 -ATOM 5204 C CA . GLY E 5 97 ? 10.026 45.965 23.127 1.00 19.21 ? 98 GLY E CA 1 -ATOM 5205 C C . GLY E 5 97 ? 9.639 47.424 23.266 1.00 26.24 ? 98 GLY E C 1 -ATOM 5206 O O . GLY E 5 97 ? 10.326 48.197 23.932 1.00 27.78 ? 98 GLY E O 1 -ATOM 5207 N N . GLY E 5 98 ? 8.567 47.817 22.590 1.00 29.50 ? 99 GLY E N 1 -ATOM 5208 C CA . GLY E 5 98 ? 8.097 49.186 22.674 1.00 24.43 ? 99 GLY E CA 1 -ATOM 5209 C C . GLY E 5 98 ? 6.631 49.275 23.066 1.00 20.91 ? 99 GLY E C 1 -ATOM 5210 O O . GLY E 5 98 ? 6.092 50.367 23.124 1.00 27.04 ? 99 GLY E O 1 -ATOM 5211 N N . GLY E 5 99 ? 5.989 48.148 23.365 1.00 19.15 ? 100 GLY E N 1 -ATOM 5212 C CA . GLY E 5 99 ? 4.584 48.175 23.745 1.00 17.19 ? 100 GLY E CA 1 -ATOM 5213 C C . GLY E 5 99 ? 3.595 47.719 22.672 1.00 24.44 ? 100 GLY E C 1 -ATOM 5214 O O . GLY E 5 99 ? 2.405 47.558 22.950 1.00 22.04 ? 100 GLY E O 1 -ATOM 5215 N N . PHE E 5 100 ? 4.073 47.471 21.452 1.00 27.55 ? 101 PHE E N 1 -ATOM 5216 C CA . PHE E 5 100 ? 3.206 47.031 20.359 1.00 26.76 ? 101 PHE E CA 1 -ATOM 5217 C C . PHE E 5 100 ? 3.308 45.525 20.197 1.00 31.73 ? 101 PHE E C 1 -ATOM 5218 O O . PHE E 5 100 ? 4.134 45.043 19.419 1.00 32.30 ? 101 PHE E O 1 -ATOM 5219 C CB . PHE E 5 100 ? 3.630 47.713 19.067 1.00 29.88 ? 101 PHE E CB 1 -ATOM 5220 C CG . PHE E 5 100 ? 3.805 49.184 19.206 1.00 33.73 ? 101 PHE E CG 1 -ATOM 5221 C CD1 . PHE E 5 100 ? 5.015 49.705 19.629 1.00 38.33 ? 101 PHE E CD1 1 -ATOM 5222 C CD2 . PHE E 5 100 ? 2.737 50.050 18.986 1.00 40.71 ? 101 PHE E CD2 1 -ATOM 5223 C CE1 . PHE E 5 100 ? 5.171 51.078 19.839 1.00 45.89 ? 101 PHE E CE1 1 -ATOM 5224 C CE2 . PHE E 5 100 ? 2.873 51.423 19.192 1.00 44.62 ? 101 PHE E CE2 1 -ATOM 5225 C CZ . PHE E 5 100 ? 4.097 51.939 19.623 1.00 47.41 ? 101 PHE E CZ 1 -ATOM 5226 N N . TYR E 5 101 ? 2.501 44.793 20.966 1.00 33.77 ? 104 TYR E N 1 -ATOM 5227 C CA . TYR E 5 101 ? 2.507 43.328 20.933 1.00 40.37 ? 104 TYR E CA 1 -ATOM 5228 C C . TYR E 5 101 ? 1.531 42.879 19.853 1.00 45.61 ? 104 TYR E C 1 -ATOM 5229 O O . TYR E 5 101 ? 1.712 41.826 19.219 1.00 47.17 ? 104 TYR E O 1 -ATOM 5230 C CB . TYR E 5 101 ? 2.088 42.734 22.300 1.00 41.89 ? 104 TYR E CB 1 -ATOM 5231 C CG . TYR E 5 101 ? 2.566 43.509 23.522 1.00 39.51 ? 104 TYR E CG 1 -ATOM 5232 C CD1 . TYR E 5 101 ? 3.923 43.695 23.775 1.00 42.61 ? 104 TYR E CD1 1 -ATOM 5233 C CD2 . TYR E 5 101 ? 1.658 44.104 24.383 1.00 39.57 ? 104 TYR E CD2 1 -ATOM 5234 C CE1 . TYR E 5 101 ? 4.362 44.456 24.856 1.00 38.51 ? 104 TYR E CE1 1 -ATOM 5235 C CE2 . TYR E 5 101 ? 2.088 44.866 25.467 1.00 45.60 ? 104 TYR E CE2 1 -ATOM 5236 C CZ . TYR E 5 101 ? 3.440 45.040 25.692 1.00 40.66 ? 104 TYR E CZ 1 -ATOM 5237 O OH . TYR E 5 101 ? 3.860 45.799 26.756 1.00 47.98 ? 104 TYR E OH 1 -ATOM 5238 N N . GLU E 5 102 ? 0.494 43.696 19.666 1.00 50.21 ? 105 GLU E N 1 -ATOM 5239 C CA . GLU E 5 102 ? -0.563 43.472 18.672 1.00 51.01 ? 105 GLU E CA 1 -ATOM 5240 C C . GLU E 5 102 ? 0.058 43.462 17.259 1.00 46.06 ? 105 GLU E C 1 -ATOM 5241 O O . GLU E 5 102 ? 0.678 44.449 16.840 1.00 45.29 ? 105 GLU E O 1 -ATOM 5242 C CB . GLU E 5 102 ? -1.617 44.589 18.792 1.00 60.02 ? 105 GLU E CB 1 -ATOM 5243 C CG . GLU E 5 102 ? -2.644 44.448 19.935 1.00 65.65 ? 105 GLU E CG 1 -ATOM 5244 C CD . GLU E 5 102 ? -2.032 44.251 21.321 1.00 69.18 ? 105 GLU E CD 1 -ATOM 5245 O OE1 . GLU E 5 102 ? -1.438 45.202 21.872 1.00 72.28 ? 105 GLU E OE1 1 -ATOM 5246 O OE2 . GLU E 5 102 ? -2.171 43.140 21.872 1.00 70.27 ? 105 GLU E OE2 1 -ATOM 5247 N N . GLN E 5 103 ? -0.136 42.368 16.526 1.00 40.12 ? 106 GLN E N 1 -ATOM 5248 C CA . GLN E 5 103 ? 0.447 42.218 15.190 1.00 36.73 ? 106 GLN E CA 1 -ATOM 5249 C C . GLN E 5 103 ? -0.338 42.731 14.006 1.00 33.92 ? 106 GLN E C 1 -ATOM 5250 O O . GLN E 5 103 ? -1.552 42.567 13.929 1.00 32.57 ? 106 GLN E O 1 -ATOM 5251 C CB . GLN E 5 103 ? 0.830 40.780 14.945 1.00 31.83 ? 106 GLN E CB 1 -ATOM 5252 C CG . GLN E 5 103 ? 2.242 40.665 14.551 1.00 33.00 ? 106 GLN E CG 1 -ATOM 5253 C CD . GLN E 5 103 ? 2.782 39.291 14.758 1.00 39.43 ? 106 GLN E CD 1 -ATOM 5254 O OE1 . GLN E 5 103 ? 2.074 38.298 14.647 1.00 47.91 ? 106 GLN E OE1 1 -ATOM 5255 N NE2 . GLN E 5 103 ? 4.055 39.218 15.058 1.00 50.54 ? 106 GLN E NE2 1 -ATOM 5256 N N . TYR E 5 104 ? 0.396 43.303 13.058 1.00 33.87 ? 107 TYR E N 1 -ATOM 5257 C CA . TYR E 5 104 ? -0.172 43.896 11.849 1.00 38.58 ? 107 TYR E CA 1 -ATOM 5258 C C . TYR E 5 104 ? 0.114 43.069 10.611 1.00 34.68 ? 107 TYR E C 1 -ATOM 5259 O O . TYR E 5 104 ? 1.276 42.826 10.303 1.00 33.87 ? 107 TYR E O 1 -ATOM 5260 C CB . TYR E 5 104 ? 0.409 45.296 11.648 1.00 42.82 ? 107 TYR E CB 1 -ATOM 5261 C CG . TYR E 5 104 ? 0.056 46.279 12.741 1.00 51.88 ? 107 TYR E CG 1 -ATOM 5262 C CD1 . TYR E 5 104 ? -1.236 46.336 13.265 1.00 60.67 ? 107 TYR E CD1 1 -ATOM 5263 C CD2 . TYR E 5 104 ? 0.998 47.180 13.222 1.00 55.15 ? 107 TYR E CD2 1 -ATOM 5264 C CE1 . TYR E 5 104 ? -1.583 47.275 14.239 1.00 65.30 ? 107 TYR E CE1 1 -ATOM 5265 C CE2 . TYR E 5 104 ? 0.665 48.124 14.192 1.00 61.53 ? 107 TYR E CE2 1 -ATOM 5266 C CZ . TYR E 5 104 ? -0.626 48.170 14.697 1.00 65.56 ? 107 TYR E CZ 1 -ATOM 5267 O OH . TYR E 5 104 ? -0.969 49.120 15.641 1.00 70.34 ? 107 TYR E OH 1 -ATOM 5268 N N . PHE E 5 105 ? -0.933 42.686 9.880 1.00 34.17 ? 108 PHE E N 1 -ATOM 5269 C CA . PHE E 5 105 ? -0.781 41.877 8.657 1.00 35.42 ? 108 PHE E CA 1 -ATOM 5270 C C . PHE E 5 105 ? -0.817 42.585 7.279 1.00 31.14 ? 108 PHE E C 1 -ATOM 5271 O O . PHE E 5 105 ? -1.647 43.461 7.022 1.00 24.85 ? 108 PHE E O 1 -ATOM 5272 C CB . PHE E 5 105 ? -1.790 40.726 8.664 1.00 31.76 ? 108 PHE E CB 1 -ATOM 5273 C CG . PHE E 5 105 ? -1.480 39.664 9.676 1.00 34.30 ? 108 PHE E CG 1 -ATOM 5274 C CD1 . PHE E 5 105 ? -1.794 39.847 11.009 1.00 26.02 ? 108 PHE E CD1 1 -ATOM 5275 C CD2 . PHE E 5 105 ? -0.873 38.475 9.288 1.00 33.91 ? 108 PHE E CD2 1 -ATOM 5276 C CE1 . PHE E 5 105 ? -1.510 38.867 11.933 1.00 23.84 ? 108 PHE E CE1 1 -ATOM 5277 C CE2 . PHE E 5 105 ? -0.586 37.490 10.217 1.00 28.26 ? 108 PHE E CE2 1 -ATOM 5278 C CZ . PHE E 5 105 ? -0.908 37.689 11.539 1.00 24.28 ? 108 PHE E CZ 1 -ATOM 5279 N N . GLY E 5 106 ? 0.086 42.180 6.391 1.00 30.08 ? 109 GLY E N 1 -ATOM 5280 C CA . GLY E 5 106 ? 0.119 42.745 5.060 1.00 31.38 ? 109 GLY E CA 1 -ATOM 5281 C C . GLY E 5 106 ? -1.090 42.193 4.315 1.00 36.16 ? 109 GLY E C 1 -ATOM 5282 O O . GLY E 5 106 ? -1.755 41.268 4.810 1.00 34.87 ? 109 GLY E O 1 -ATOM 5283 N N . PRO E 5 107 ? -1.374 42.684 3.100 1.00 34.53 ? 110 PRO E N 1 -ATOM 5284 C CA . PRO E 5 107 ? -2.529 42.200 2.335 1.00 27.56 ? 110 PRO E CA 1 -ATOM 5285 C C . PRO E 5 107 ? -2.562 40.708 1.925 1.00 28.53 ? 110 PRO E C 1 -ATOM 5286 O O . PRO E 5 107 ? -3.644 40.146 1.748 1.00 30.96 ? 110 PRO E O 1 -ATOM 5287 C CB . PRO E 5 107 ? -2.575 43.161 1.153 1.00 27.48 ? 110 PRO E CB 1 -ATOM 5288 C CG . PRO E 5 107 ? -1.137 43.586 0.994 1.00 33.11 ? 110 PRO E CG 1 -ATOM 5289 C CD . PRO E 5 107 ? -0.686 43.786 2.397 1.00 29.67 ? 110 PRO E CD 1 -ATOM 5290 N N . GLY E 5 108 ? -1.398 40.076 1.785 1.00 28.47 ? 111 GLY E N 1 -ATOM 5291 C CA . GLY E 5 108 ? -1.345 38.664 1.415 1.00 25.50 ? 111 GLY E CA 1 -ATOM 5292 C C . GLY E 5 108 ? -1.055 38.428 -0.053 1.00 28.91 ? 111 GLY E C 1 -ATOM 5293 O O . GLY E 5 108 ? -1.446 39.232 -0.895 1.00 34.43 ? 111 GLY E O 1 -ATOM 5294 N N . THR E 5 109 ? -0.348 37.350 -0.370 1.00 26.01 ? 112 THR E N 1 -ATOM 5295 C CA . THR E 5 109 ? -0.033 37.034 -1.758 1.00 21.72 ? 112 THR E CA 1 -ATOM 5296 C C . THR E 5 109 ? -0.430 35.603 -2.092 1.00 22.62 ? 112 THR E C 1 -ATOM 5297 O O . THR E 5 109 ? 0.011 34.672 -1.405 1.00 20.80 ? 112 THR E O 1 -ATOM 5298 C CB . THR E 5 109 ? 1.495 37.242 -2.135 1.00 19.46 ? 112 THR E CB 1 -ATOM 5299 O OG1 . THR E 5 109 ? 2.189 35.993 -2.155 1.00 25.07 ? 112 THR E OG1 1 -ATOM 5300 C CG2 . THR E 5 109 ? 2.203 38.154 -1.187 1.00 17.26 ? 112 THR E CG2 1 -ATOM 5301 N N . ARG E 5 110 ? -1.298 35.431 -3.100 1.00 21.57 ? 113 ARG E N 1 -ATOM 5302 C CA . ARG E 5 110 ? -1.730 34.094 -3.535 1.00 22.34 ? 113 ARG E CA 1 -ATOM 5303 C C . ARG E 5 110 ? -0.679 33.479 -4.426 1.00 20.33 ? 113 ARG E C 1 -ATOM 5304 O O . ARG E 5 110 ? -0.171 34.117 -5.350 1.00 19.49 ? 113 ARG E O 1 -ATOM 5305 C CB . ARG E 5 110 ? -3.031 34.114 -4.323 1.00 24.73 ? 113 ARG E CB 1 -ATOM 5306 C CG . ARG E 5 110 ? -4.288 34.093 -3.509 1.00 35.90 ? 113 ARG E CG 1 -ATOM 5307 C CD . ARG E 5 110 ? -5.469 33.713 -4.398 1.00 44.06 ? 113 ARG E CD 1 -ATOM 5308 N NE . ARG E 5 110 ? -5.725 32.274 -4.374 1.00 55.68 ? 113 ARG E NE 1 -ATOM 5309 C CZ . ARG E 5 110 ? -6.631 31.704 -3.588 1.00 62.73 ? 113 ARG E CZ 1 -ATOM 5310 N NH1 . ARG E 5 110 ? -7.363 32.449 -2.769 1.00 69.03 ? 113 ARG E NH1 1 -ATOM 5311 N NH2 . ARG E 5 110 ? -6.793 30.388 -3.595 1.00 69.66 ? 113 ARG E NH2 1 -ATOM 5312 N N . LEU E 5 111 ? -0.394 32.215 -4.188 1.00 20.68 ? 114 LEU E N 1 -ATOM 5313 C CA . LEU E 5 111 ? 0.611 31.535 -4.960 1.00 24.13 ? 114 LEU E CA 1 -ATOM 5314 C C . LEU E 5 111 ? 0.081 30.163 -5.311 1.00 29.59 ? 114 LEU E C 1 -ATOM 5315 O O . LEU E 5 111 ? -0.568 29.515 -4.487 1.00 36.14 ? 114 LEU E O 1 -ATOM 5316 C CB . LEU E 5 111 ? 1.880 31.422 -4.138 1.00 12.24 ? 114 LEU E CB 1 -ATOM 5317 C CG . LEU E 5 111 ? 3.101 30.925 -4.880 1.00 17.46 ? 114 LEU E CG 1 -ATOM 5318 C CD1 . LEU E 5 111 ? 4.233 31.879 -4.607 1.00 30.16 ? 114 LEU E CD1 1 -ATOM 5319 C CD2 . LEU E 5 111 ? 3.455 29.518 -4.452 1.00 16.78 ? 114 LEU E CD2 1 -ATOM 5320 N N . THR E 5 112 ? 0.291 29.768 -6.565 1.00 29.88 ? 115 THR E N 1 -ATOM 5321 C CA . THR E 5 112 ? -0.138 28.465 -7.063 1.00 26.71 ? 115 THR E CA 1 -ATOM 5322 C C . THR E 5 112 ? 1.021 27.842 -7.835 1.00 26.55 ? 115 THR E C 1 -ATOM 5323 O O . THR E 5 112 ? 1.727 28.523 -8.576 1.00 27.95 ? 115 THR E O 1 -ATOM 5324 C CB . THR E 5 112 ? -1.366 28.566 -7.976 1.00 26.88 ? 115 THR E CB 1 -ATOM 5325 O OG1 . THR E 5 112 ? -2.457 29.183 -7.276 1.00 29.60 ? 115 THR E OG1 1 -ATOM 5326 C CG2 . THR E 5 112 ? -1.798 27.196 -8.404 1.00 33.52 ? 115 THR E CG2 1 -ATOM 5327 N N . VAL E 5 113 ? 1.282 26.569 -7.587 1.00 28.01 ? 116 VAL E N 1 -ATOM 5328 C CA . VAL E 5 113 ? 2.367 25.899 -8.281 1.00 29.27 ? 116 VAL E CA 1 -ATOM 5329 C C . VAL E 5 113 ? 1.850 24.653 -9.009 1.00 33.13 ? 116 VAL E C 1 -ATOM 5330 O O . VAL E 5 113 ? 1.083 23.865 -8.439 1.00 29.36 ? 116 VAL E O 1 -ATOM 5331 C CB . VAL E 5 113 ? 3.550 25.621 -7.310 1.00 26.35 ? 116 VAL E CB 1 -ATOM 5332 C CG1 . VAL E 5 113 ? 3.033 25.170 -5.998 1.00 31.28 ? 116 VAL E CG1 1 -ATOM 5333 C CG2 . VAL E 5 113 ? 4.518 24.603 -7.874 1.00 27.07 ? 116 VAL E CG2 1 -ATOM 5334 N N . THR E 5 114 ? 2.151 24.580 -10.312 1.00 37.90 ? 117 THR E N 1 -ATOM 5335 C CA . THR E 5 114 ? 1.757 23.457 -11.171 1.00 36.10 ? 117 THR E CA 1 -ATOM 5336 C C . THR E 5 114 ? 2.951 22.679 -11.680 1.00 41.16 ? 117 THR E C 1 -ATOM 5337 O O . THR E 5 114 ? 4.080 23.188 -11.731 1.00 39.95 ? 117 THR E O 1 -ATOM 5338 C CB . THR E 5 114 ? 1.004 23.900 -12.431 1.00 30.56 ? 117 THR E CB 1 -ATOM 5339 O OG1 . THR E 5 114 ? 1.041 25.323 -12.548 1.00 33.35 ? 117 THR E OG1 1 -ATOM 5340 C CG2 . THR E 5 114 ? -0.411 23.390 -12.409 1.00 26.58 ? 117 THR E CG2 1 -ATOM 5341 N N . GLU E 5 115 ? 2.670 21.450 -12.106 1.00 44.58 ? 118 GLU E N 1 -ATOM 5342 C CA . GLU E 5 115 ? 3.686 20.565 -12.645 1.00 45.33 ? 118 GLU E CA 1 -ATOM 5343 C C . GLU E 5 115 ? 4.055 21.031 -14.042 1.00 42.76 ? 118 GLU E C 1 -ATOM 5344 O O . GLU E 5 115 ? 5.231 21.051 -14.388 1.00 42.39 ? 118 GLU E O 1 -ATOM 5345 C CB . GLU E 5 115 ? 3.171 19.124 -12.683 1.00 52.30 ? 118 GLU E CB 1 -ATOM 5346 C CG . GLU E 5 115 ? 4.052 18.136 -11.912 1.00 60.14 ? 118 GLU E CG 1 -ATOM 5347 C CD . GLU E 5 115 ? 4.156 18.455 -10.420 1.00 66.63 ? 118 GLU E CD 1 -ATOM 5348 O OE1 . GLU E 5 115 ? 3.118 18.783 -9.796 1.00 71.20 ? 118 GLU E OE1 1 -ATOM 5349 O OE2 . GLU E 5 115 ? 5.278 18.369 -9.872 1.00 67.29 ? 118 GLU E OE2 1 -ATOM 5350 N N . ASP E 5 116 ? 3.042 21.440 -14.816 1.00 44.78 ? 119 ASP E N 1 -ATOM 5351 C CA . ASP E 5 116 ? 3.211 21.920 -16.201 1.00 40.98 ? 119 ASP E CA 1 -ATOM 5352 C C . ASP E 5 116 ? 2.464 23.239 -16.501 1.00 38.30 ? 119 ASP E C 1 -ATOM 5353 O O . ASP E 5 116 ? 1.230 23.315 -16.373 1.00 36.73 ? 119 ASP E O 1 -ATOM 5354 C CB . ASP E 5 116 ? 2.762 20.826 -17.200 1.00 37.84 ? 119 ASP E CB 1 -ATOM 5355 N N . LEU E 5 117 ? 3.213 24.249 -16.954 1.00 34.46 ? 120 LEU E N 1 -ATOM 5356 C CA . LEU E 5 117 ? 2.670 25.573 -17.303 1.00 30.64 ? 120 LEU E CA 1 -ATOM 5357 C C . LEU E 5 117 ? 1.621 25.593 -18.415 1.00 32.66 ? 120 LEU E C 1 -ATOM 5358 O O . LEU E 5 117 ? 0.989 26.619 -18.654 1.00 31.21 ? 120 LEU E O 1 -ATOM 5359 C CB . LEU E 5 117 ? 3.794 26.537 -17.671 1.00 23.00 ? 120 LEU E CB 1 -ATOM 5360 C CG . LEU E 5 117 ? 4.540 27.039 -16.438 1.00 36.66 ? 120 LEU E CG 1 -ATOM 5361 C CD1 . LEU E 5 117 ? 5.729 27.898 -16.830 1.00 31.43 ? 120 LEU E CD1 1 -ATOM 5362 C CD2 . LEU E 5 117 ? 3.566 27.821 -15.554 1.00 35.44 ? 120 LEU E CD2 1 -ATOM 5363 N N . LYS E 5 118 ? 1.433 24.456 -19.078 1.00 32.89 ? 121 LYS E N 1 -ATOM 5364 C CA . LYS E 5 118 ? 0.460 24.333 -20.145 1.00 29.12 ? 121 LYS E CA 1 -ATOM 5365 C C . LYS E 5 118 ? -0.917 24.280 -19.491 1.00 34.27 ? 121 LYS E C 1 -ATOM 5366 O O . LYS E 5 118 ? -1.945 24.282 -20.177 1.00 31.00 ? 121 LYS E O 1 -ATOM 5367 C CB . LYS E 5 118 ? 0.728 23.060 -20.934 1.00 33.76 ? 121 LYS E CB 1 -ATOM 5368 N N . ASN E 5 119 ? -0.913 24.220 -18.153 1.00 37.38 ? 122 ASN E N 1 -ATOM 5369 C CA . ASN E 5 119 ? -2.125 24.170 -17.324 1.00 34.78 ? 122 ASN E CA 1 -ATOM 5370 C C . ASN E 5 119 ? -2.758 25.530 -17.109 1.00 31.34 ? 122 ASN E C 1 -ATOM 5371 O O . ASN E 5 119 ? -3.948 25.633 -16.789 1.00 34.40 ? 122 ASN E O 1 -ATOM 5372 C CB . ASN E 5 119 ? -1.806 23.592 -15.952 1.00 36.23 ? 122 ASN E CB 1 -ATOM 5373 C CG . ASN E 5 119 ? -1.629 22.111 -15.981 1.00 34.78 ? 122 ASN E CG 1 -ATOM 5374 O OD1 . ASN E 5 119 ? -2.423 21.399 -16.585 1.00 37.94 ? 122 ASN E OD1 1 -ATOM 5375 N ND2 . ASN E 5 119 ? -0.604 21.625 -15.309 1.00 36.21 ? 122 ASN E ND2 1 -ATOM 5376 N N . VAL E 5 120 ? -1.937 26.565 -17.207 1.00 25.31 ? 123 VAL E N 1 -ATOM 5377 C CA . VAL E 5 120 ? -2.414 27.918 -17.021 1.00 26.14 ? 123 VAL E CA 1 -ATOM 5378 C C . VAL E 5 120 ? -3.338 28.235 -18.191 1.00 28.02 ? 123 VAL E C 1 -ATOM 5379 O O . VAL E 5 120 ? -2.977 28.017 -19.333 1.00 25.68 ? 123 VAL E O 1 -ATOM 5380 C CB . VAL E 5 120 ? -1.236 28.911 -16.972 1.00 26.63 ? 123 VAL E CB 1 -ATOM 5381 C CG1 . VAL E 5 120 ? -1.732 30.293 -16.583 1.00 26.27 ? 123 VAL E CG1 1 -ATOM 5382 C CG2 . VAL E 5 120 ? -0.170 28.419 -15.981 1.00 26.30 ? 123 VAL E CG2 1 -ATOM 5383 N N . PHE E 5 121 ? -4.531 28.736 -17.889 1.00 28.05 ? 124 PHE E N 1 -ATOM 5384 C CA . PHE E 5 121 ? -5.530 29.074 -18.878 1.00 25.42 ? 124 PHE E CA 1 -ATOM 5385 C C . PHE E 5 121 ? -6.224 30.366 -18.505 1.00 27.56 ? 124 PHE E C 1 -ATOM 5386 O O . PHE E 5 121 ? -6.569 30.558 -17.352 1.00 33.63 ? 124 PHE E O 1 -ATOM 5387 C CB . PHE E 5 121 ? -6.620 28.009 -18.881 1.00 33.53 ? 124 PHE E CB 1 -ATOM 5388 C CG . PHE E 5 121 ? -6.296 26.789 -19.679 1.00 48.29 ? 124 PHE E CG 1 -ATOM 5389 C CD1 . PHE E 5 121 ? -6.349 26.821 -21.068 1.00 52.55 ? 124 PHE E CD1 1 -ATOM 5390 C CD2 . PHE E 5 121 ? -6.006 25.587 -19.051 1.00 53.54 ? 124 PHE E CD2 1 -ATOM 5391 C CE1 . PHE E 5 121 ? -6.118 25.673 -21.819 1.00 53.18 ? 124 PHE E CE1 1 -ATOM 5392 C CE2 . PHE E 5 121 ? -5.771 24.426 -19.800 1.00 53.28 ? 124 PHE E CE2 1 -ATOM 5393 C CZ . PHE E 5 121 ? -5.830 24.472 -21.179 1.00 52.82 ? 124 PHE E CZ 1 -ATOM 5394 N N . PRO E 5 122 ? -6.371 31.300 -19.438 1.00 30.97 ? 125 PRO E N 1 -ATOM 5395 C CA . PRO E 5 122 ? -7.057 32.559 -19.124 1.00 29.24 ? 125 PRO E CA 1 -ATOM 5396 C C . PRO E 5 122 ? -8.555 32.242 -19.013 1.00 25.15 ? 125 PRO E C 1 -ATOM 5397 O O . PRO E 5 122 ? -9.007 31.169 -19.426 1.00 29.02 ? 125 PRO E O 1 -ATOM 5398 C CB . PRO E 5 122 ? -6.782 33.420 -20.350 1.00 27.13 ? 125 PRO E CB 1 -ATOM 5399 C CG . PRO E 5 122 ? -5.433 32.961 -20.766 1.00 34.17 ? 125 PRO E CG 1 -ATOM 5400 C CD . PRO E 5 122 ? -5.564 31.462 -20.669 1.00 35.88 ? 125 PRO E CD 1 -ATOM 5401 N N . PRO E 5 123 ? -9.338 33.172 -18.450 1.00 23.09 ? 126 PRO E N 1 -ATOM 5402 C CA . PRO E 5 123 ? -10.787 32.953 -18.313 1.00 24.17 ? 126 PRO E CA 1 -ATOM 5403 C C . PRO E 5 123 ? -11.621 33.244 -19.568 1.00 33.44 ? 126 PRO E C 1 -ATOM 5404 O O . PRO E 5 123 ? -11.193 33.971 -20.475 1.00 35.70 ? 126 PRO E O 1 -ATOM 5405 C CB . PRO E 5 123 ? -11.149 33.931 -17.201 1.00 15.34 ? 126 PRO E CB 1 -ATOM 5406 C CG . PRO E 5 123 ? -10.222 35.089 -17.487 1.00 13.55 ? 126 PRO E CG 1 -ATOM 5407 C CD . PRO E 5 123 ? -8.912 34.402 -17.766 1.00 10.45 ? 126 PRO E CD 1 -ATOM 5408 N N . GLU E 5 124 ? -12.837 32.704 -19.600 1.00 37.64 ? 127 GLU E N 1 -ATOM 5409 C CA . GLU E 5 124 ? -13.764 32.952 -20.704 1.00 40.86 ? 127 GLU E CA 1 -ATOM 5410 C C . GLU E 5 124 ? -15.019 33.553 -20.076 1.00 39.21 ? 127 GLU E C 1 -ATOM 5411 O O . GLU E 5 124 ? -15.936 32.837 -19.669 1.00 42.34 ? 127 GLU E O 1 -ATOM 5412 C CB . GLU E 5 124 ? -14.092 31.661 -21.473 1.00 45.44 ? 127 GLU E CB 1 -ATOM 5413 C CG . GLU E 5 124 ? -13.164 31.410 -22.661 1.00 45.76 ? 127 GLU E CG 1 -ATOM 5414 C CD . GLU E 5 124 ? -13.462 30.129 -23.404 1.00 45.70 ? 127 GLU E CD 1 -ATOM 5415 O OE1 . GLU E 5 124 ? -14.652 29.791 -23.587 1.00 40.67 ? 127 GLU E OE1 1 -ATOM 5416 O OE2 . GLU E 5 124 ? -12.488 29.467 -23.814 1.00 50.69 ? 127 GLU E OE2 1 -ATOM 5417 N N . VAL E 5 125 ? -15.053 34.874 -19.989 1.00 35.47 ? 128 VAL E N 1 -ATOM 5418 C CA . VAL E 5 125 ? -16.189 35.522 -19.358 1.00 34.88 ? 128 VAL E CA 1 -ATOM 5419 C C . VAL E 5 125 ? -17.356 35.772 -20.300 1.00 33.79 ? 128 VAL E C 1 -ATOM 5420 O O . VAL E 5 125 ? -17.178 35.863 -21.508 1.00 31.57 ? 128 VAL E O 1 -ATOM 5421 C CB . VAL E 5 125 ? -15.755 36.789 -18.546 1.00 34.96 ? 128 VAL E CB 1 -ATOM 5422 C CG1 . VAL E 5 125 ? -14.232 36.982 -18.624 1.00 28.32 ? 128 VAL E CG1 1 -ATOM 5423 C CG2 . VAL E 5 125 ? -16.507 38.025 -18.987 1.00 29.32 ? 128 VAL E CG2 1 -ATOM 5424 N N . ALA E 5 126 ? -18.561 35.804 -19.740 1.00 33.39 ? 129 ALA E N 1 -ATOM 5425 C CA . ALA E 5 126 ? -19.770 36.024 -20.521 1.00 35.24 ? 129 ALA E CA 1 -ATOM 5426 C C . ALA E 5 126 ? -20.913 36.452 -19.604 1.00 34.43 ? 129 ALA E C 1 -ATOM 5427 O O . ALA E 5 126 ? -21.135 35.824 -18.575 1.00 42.44 ? 129 ALA E O 1 -ATOM 5428 C CB . ALA E 5 126 ? -20.140 34.729 -21.252 1.00 38.61 ? 129 ALA E CB 1 -ATOM 5429 N N . VAL E 5 127 ? -21.625 37.522 -19.953 1.00 31.64 ? 130 VAL E N 1 -ATOM 5430 C CA . VAL E 5 127 ? -22.749 37.994 -19.128 1.00 28.21 ? 130 VAL E CA 1 -ATOM 5431 C C . VAL E 5 127 ? -24.045 37.425 -19.654 1.00 23.60 ? 130 VAL E C 1 -ATOM 5432 O O . VAL E 5 127 ? -24.172 37.161 -20.842 1.00 26.25 ? 130 VAL E O 1 -ATOM 5433 C CB . VAL E 5 127 ? -22.893 39.550 -19.090 1.00 33.22 ? 130 VAL E CB 1 -ATOM 5434 C CG1 . VAL E 5 127 ? -21.591 40.202 -18.682 1.00 36.65 ? 130 VAL E CG1 1 -ATOM 5435 C CG2 . VAL E 5 127 ? -23.363 40.091 -20.423 1.00 35.91 ? 130 VAL E CG2 1 -ATOM 5436 N N . PHE E 5 128 ? -25.004 37.225 -18.765 1.00 21.27 ? 131 PHE E N 1 -ATOM 5437 C CA . PHE E 5 128 ? -26.298 36.689 -19.144 1.00 20.91 ? 131 PHE E CA 1 -ATOM 5438 C C . PHE E 5 128 ? -27.299 37.755 -18.781 1.00 25.25 ? 131 PHE E C 1 -ATOM 5439 O O . PHE E 5 128 ? -27.316 38.231 -17.660 1.00 31.14 ? 131 PHE E O 1 -ATOM 5440 C CB . PHE E 5 128 ? -26.544 35.380 -18.409 1.00 14.38 ? 131 PHE E CB 1 -ATOM 5441 C CG . PHE E 5 128 ? -25.483 34.345 -18.684 1.00 13.95 ? 131 PHE E CG 1 -ATOM 5442 C CD1 . PHE E 5 128 ? -24.159 34.565 -18.317 1.00 11.35 ? 131 PHE E CD1 1 -ATOM 5443 C CD2 . PHE E 5 128 ? -25.795 33.165 -19.328 1.00 14.56 ? 131 PHE E CD2 1 -ATOM 5444 C CE1 . PHE E 5 128 ? -23.180 33.640 -18.579 1.00 6.70 ? 131 PHE E CE1 1 -ATOM 5445 C CE2 . PHE E 5 128 ? -24.811 32.236 -19.594 1.00 11.99 ? 131 PHE E CE2 1 -ATOM 5446 C CZ . PHE E 5 128 ? -23.503 32.479 -19.217 1.00 10.63 ? 131 PHE E CZ 1 -ATOM 5447 N N . GLU E 5 129 ? -28.096 38.178 -19.748 1.00 31.36 ? 132 GLU E N 1 -ATOM 5448 C CA . GLU E 5 129 ? -29.054 39.254 -19.513 1.00 35.55 ? 132 GLU E CA 1 -ATOM 5449 C C . GLU E 5 129 ? -30.143 38.926 -18.519 1.00 32.70 ? 132 GLU E C 1 -ATOM 5450 O O . GLU E 5 129 ? -30.457 37.762 -18.291 1.00 39.40 ? 132 GLU E O 1 -ATOM 5451 C CB . GLU E 5 129 ? -29.733 39.660 -20.820 1.00 46.17 ? 132 GLU E CB 1 -ATOM 5452 C CG . GLU E 5 129 ? -28.833 40.169 -21.919 1.00 54.73 ? 132 GLU E CG 1 -ATOM 5453 C CD . GLU E 5 129 ? -29.613 40.451 -23.189 1.00 64.10 ? 132 GLU E CD 1 -ATOM 5454 O OE1 . GLU E 5 129 ? -30.745 39.924 -23.347 1.00 67.27 ? 132 GLU E OE1 1 -ATOM 5455 O OE2 . GLU E 5 129 ? -29.092 41.213 -24.030 1.00 74.38 ? 132 GLU E OE2 1 -ATOM 5456 N N . PRO E 5 130 ? -30.767 39.962 -17.947 1.00 29.49 ? 133 PRO E N 1 -ATOM 5457 C CA . PRO E 5 130 ? -31.856 39.856 -16.972 1.00 33.03 ? 133 PRO E CA 1 -ATOM 5458 C C . PRO E 5 130 ? -33.010 39.003 -17.501 1.00 39.33 ? 133 PRO E C 1 -ATOM 5459 O O . PRO E 5 130 ? -33.154 38.812 -18.712 1.00 44.30 ? 133 PRO E O 1 -ATOM 5460 C CB . PRO E 5 130 ? -32.312 41.302 -16.831 1.00 23.94 ? 133 PRO E CB 1 -ATOM 5461 C CG . PRO E 5 130 ? -31.051 42.054 -16.974 1.00 22.97 ? 133 PRO E CG 1 -ATOM 5462 C CD . PRO E 5 130 ? -30.311 41.359 -18.075 1.00 22.60 ? 133 PRO E CD 1 -ATOM 5463 N N . SER E 5 131 ? -33.819 38.482 -16.587 1.00 45.90 ? 134 SER E N 1 -ATOM 5464 C CA . SER E 5 131 ? -34.979 37.678 -16.957 1.00 47.59 ? 134 SER E CA 1 -ATOM 5465 C C . SER E 5 131 ? -36.124 38.625 -17.314 1.00 45.37 ? 134 SER E C 1 -ATOM 5466 O O . SER E 5 131 ? -36.321 39.651 -16.655 1.00 45.54 ? 134 SER E O 1 -ATOM 5467 C CB . SER E 5 131 ? -35.390 36.774 -15.783 1.00 47.48 ? 134 SER E CB 1 -ATOM 5468 O OG . SER E 5 131 ? -36.687 36.222 -15.966 1.00 54.34 ? 134 SER E OG 1 -ATOM 5469 N N . GLU E 5 132 ? -36.881 38.289 -18.350 1.00 44.06 ? 135 GLU E N 1 -ATOM 5470 C CA . GLU E 5 132 ? -38.007 39.126 -18.740 1.00 47.30 ? 135 GLU E CA 1 -ATOM 5471 C C . GLU E 5 132 ? -39.034 38.998 -17.621 1.00 48.18 ? 135 GLU E C 1 -ATOM 5472 O O . GLU E 5 132 ? -39.742 39.953 -17.279 1.00 48.69 ? 135 GLU E O 1 -ATOM 5473 C CB . GLU E 5 132 ? -38.596 38.647 -20.059 1.00 48.18 ? 135 GLU E CB 1 -ATOM 5474 N N . ALA E 5 133 ? -39.067 37.808 -17.026 1.00 44.93 ? 136 ALA E N 1 -ATOM 5475 C CA . ALA E 5 133 ? -39.979 37.505 -15.937 1.00 41.42 ? 136 ALA E CA 1 -ATOM 5476 C C . ALA E 5 133 ? -39.599 38.336 -14.706 1.00 42.04 ? 136 ALA E C 1 -ATOM 5477 O O . ALA E 5 133 ? -40.452 38.988 -14.108 1.00 41.28 ? 136 ALA E O 1 -ATOM 5478 C CB . ALA E 5 133 ? -39.933 36.017 -15.625 1.00 37.95 ? 136 ALA E CB 1 -ATOM 5479 N N . GLU E 5 134 ? -38.310 38.357 -14.375 1.00 38.86 ? 137 GLU E N 1 -ATOM 5480 C CA . GLU E 5 134 ? -37.820 39.104 -13.228 1.00 38.19 ? 137 GLU E CA 1 -ATOM 5481 C C . GLU E 5 134 ? -38.181 40.575 -13.333 1.00 44.47 ? 137 GLU E C 1 -ATOM 5482 O O . GLU E 5 134 ? -38.752 41.147 -12.405 1.00 47.84 ? 137 GLU E O 1 -ATOM 5483 C CB . GLU E 5 134 ? -36.309 38.967 -13.113 1.00 38.25 ? 137 GLU E CB 1 -ATOM 5484 C CG . GLU E 5 134 ? -35.709 39.681 -11.913 1.00 36.50 ? 137 GLU E CG 1 -ATOM 5485 C CD . GLU E 5 134 ? -34.231 39.986 -12.082 1.00 42.12 ? 137 GLU E CD 1 -ATOM 5486 O OE1 . GLU E 5 134 ? -33.573 39.465 -13.014 1.00 49.33 ? 137 GLU E OE1 1 -ATOM 5487 O OE2 . GLU E 5 134 ? -33.724 40.776 -11.279 1.00 44.95 ? 137 GLU E OE2 1 -ATOM 5488 N N . ILE E 5 135 ? -37.836 41.184 -14.465 1.00 48.32 ? 138 ILE E N 1 -ATOM 5489 C CA . ILE E 5 135 ? -38.121 42.595 -14.700 1.00 48.80 ? 138 ILE E CA 1 -ATOM 5490 C C . ILE E 5 135 ? -39.609 42.858 -14.454 1.00 47.77 ? 138 ILE E C 1 -ATOM 5491 O O . ILE E 5 135 ? -39.991 43.749 -13.695 1.00 45.10 ? 138 ILE E O 1 -ATOM 5492 C CB . ILE E 5 135 ? -37.727 42.981 -16.140 1.00 47.34 ? 138 ILE E CB 1 -ATOM 5493 N N . SER E 5 136 ? -40.442 42.028 -15.057 1.00 47.71 ? 139 SER E N 1 -ATOM 5494 C CA . SER E 5 136 ? -41.874 42.159 -14.916 1.00 53.62 ? 139 SER E CA 1 -ATOM 5495 C C . SER E 5 136 ? -42.313 41.995 -13.467 1.00 55.08 ? 139 SER E C 1 -ATOM 5496 O O . SER E 5 136 ? -42.934 42.882 -12.873 1.00 58.91 ? 139 SER E O 1 -ATOM 5497 C CB . SER E 5 136 ? -42.553 41.097 -15.787 1.00 57.24 ? 139 SER E CB 1 -ATOM 5498 O OG . SER E 5 136 ? -43.937 41.004 -15.506 1.00 68.90 ? 139 SER E OG 1 -ATOM 5499 N N . HIS E 5 137 ? -41.914 40.866 -12.899 1.00 54.30 ? 140 HIS E N 1 -ATOM 5500 C CA . HIS E 5 137 ? -42.260 40.457 -11.545 1.00 50.32 ? 140 HIS E CA 1 -ATOM 5501 C C . HIS E 5 137 ? -41.756 41.280 -10.364 1.00 48.48 ? 140 HIS E C 1 -ATOM 5502 O O . HIS E 5 137 ? -42.473 41.436 -9.371 1.00 52.35 ? 140 HIS E O 1 -ATOM 5503 C CB . HIS E 5 137 ? -41.851 38.988 -11.353 1.00 49.58 ? 140 HIS E CB 1 -ATOM 5504 C CG . HIS E 5 137 ? -42.145 38.444 -9.989 1.00 51.88 ? 140 HIS E CG 1 -ATOM 5505 N ND1 . HIS E 5 137 ? -43.428 38.262 -9.520 1.00 54.49 ? 140 HIS E ND1 1 -ATOM 5506 C CD2 . HIS E 5 137 ? -41.321 38.044 -8.996 1.00 55.64 ? 140 HIS E CD2 1 -ATOM 5507 C CE1 . HIS E 5 137 ? -43.381 37.776 -8.293 1.00 57.15 ? 140 HIS E CE1 1 -ATOM 5508 N NE2 . HIS E 5 137 ? -42.114 37.634 -7.949 1.00 56.42 ? 140 HIS E NE2 1 -ATOM 5509 N N . THR E 5 138 ? -40.531 41.779 -10.444 1.00 43.21 ? 141 THR E N 1 -ATOM 5510 C CA . THR E 5 138 ? -39.964 42.513 -9.327 1.00 38.28 ? 141 THR E CA 1 -ATOM 5511 C C . THR E 5 138 ? -39.611 43.969 -9.593 1.00 39.28 ? 141 THR E C 1 -ATOM 5512 O O . THR E 5 138 ? -39.419 44.735 -8.646 1.00 41.99 ? 141 THR E O 1 -ATOM 5513 C CB . THR E 5 138 ? -38.697 41.803 -8.827 1.00 35.55 ? 141 THR E CB 1 -ATOM 5514 O OG1 . THR E 5 138 ? -37.717 41.817 -9.867 1.00 38.38 ? 141 THR E OG1 1 -ATOM 5515 C CG2 . THR E 5 138 ? -38.995 40.351 -8.485 1.00 31.68 ? 141 THR E CG2 1 -ATOM 5516 N N . GLN E 5 139 ? -39.484 44.337 -10.868 1.00 38.20 ? 142 GLN E N 1 -ATOM 5517 C CA . GLN E 5 139 ? -39.112 45.698 -11.285 1.00 38.06 ? 142 GLN E CA 1 -ATOM 5518 C C . GLN E 5 139 ? -37.613 45.973 -11.148 1.00 35.67 ? 142 GLN E C 1 -ATOM 5519 O O . GLN E 5 139 ? -37.183 47.132 -11.186 1.00 35.59 ? 142 GLN E O 1 -ATOM 5520 C CB . GLN E 5 139 ? -39.918 46.791 -10.552 1.00 42.72 ? 142 GLN E CB 1 -ATOM 5521 C CG . GLN E 5 139 ? -41.319 47.067 -11.129 1.00 52.90 ? 142 GLN E CG 1 -ATOM 5522 C CD . GLN E 5 139 ? -42.402 46.172 -10.538 1.00 62.21 ? 142 GLN E CD 1 -ATOM 5523 O OE1 . GLN E 5 139 ? -42.750 46.294 -9.357 1.00 65.80 ? 142 GLN E OE1 1 -ATOM 5524 N NE2 . GLN E 5 139 ? -42.959 45.285 -11.361 1.00 64.55 ? 142 GLN E NE2 1 -ATOM 5525 N N . LYS E 5 140 ? -36.829 44.906 -10.988 1.00 34.56 ? 143 LYS E N 1 -ATOM 5526 C CA . LYS E 5 140 ? -35.371 44.979 -10.868 1.00 31.17 ? 143 LYS E CA 1 -ATOM 5527 C C . LYS E 5 140 ? -34.823 44.053 -11.952 1.00 33.21 ? 143 LYS E C 1 -ATOM 5528 O O . LYS E 5 140 ? -35.542 43.172 -12.438 1.00 37.17 ? 143 LYS E O 1 -ATOM 5529 C CB . LYS E 5 140 ? -34.906 44.514 -9.485 1.00 30.18 ? 143 LYS E CB 1 -ATOM 5530 C CG . LYS E 5 140 ? -35.471 45.334 -8.352 1.00 30.71 ? 143 LYS E CG 1 -ATOM 5531 C CD . LYS E 5 140 ? -35.045 44.831 -6.999 1.00 28.35 ? 143 LYS E CD 1 -ATOM 5532 C CE . LYS E 5 140 ? -36.088 45.249 -5.974 1.00 30.80 ? 143 LYS E CE 1 -ATOM 5533 N NZ . LYS E 5 140 ? -37.364 44.471 -6.184 1.00 41.37 ? 143 LYS E NZ 1 -ATOM 5534 N N . ALA E 5 141 ? -33.574 44.266 -12.358 1.00 33.23 ? 144 ALA E N 1 -ATOM 5535 C CA . ALA E 5 141 ? -32.952 43.465 -13.409 1.00 30.82 ? 144 ALA E CA 1 -ATOM 5536 C C . ALA E 5 141 ? -31.602 42.978 -12.929 1.00 29.31 ? 144 ALA E C 1 -ATOM 5537 O O . ALA E 5 141 ? -30.757 43.777 -12.520 1.00 29.39 ? 144 ALA E O 1 -ATOM 5538 C CB . ALA E 5 141 ? -32.791 44.291 -14.680 1.00 28.59 ? 144 ALA E CB 1 -ATOM 5539 N N . THR E 5 142 ? -31.407 41.666 -12.949 1.00 27.57 ? 145 THR E N 1 -ATOM 5540 C CA . THR E 5 142 ? -30.146 41.108 -12.495 1.00 30.96 ? 145 THR E CA 1 -ATOM 5541 C C . THR E 5 142 ? -29.337 40.560 -13.648 1.00 31.61 ? 145 THR E C 1 -ATOM 5542 O O . THR E 5 142 ? -29.778 39.635 -14.342 1.00 31.10 ? 145 THR E O 1 -ATOM 5543 C CB . THR E 5 142 ? -30.341 39.944 -11.487 1.00 33.28 ? 145 THR E CB 1 -ATOM 5544 O OG1 . THR E 5 142 ? -31.323 40.286 -10.506 1.00 34.22 ? 145 THR E OG1 1 -ATOM 5545 C CG2 . THR E 5 142 ? -29.044 39.646 -10.779 1.00 34.23 ? 145 THR E CG2 1 -ATOM 5546 N N . LEU E 5 143 ? -28.176 41.163 -13.874 1.00 32.08 ? 146 LEU E N 1 -ATOM 5547 C CA . LEU E 5 143 ? -27.259 40.712 -14.915 1.00 28.77 ? 146 LEU E CA 1 -ATOM 5548 C C . LEU E 5 143 ? -26.342 39.774 -14.162 1.00 26.49 ? 146 LEU E C 1 -ATOM 5549 O O . LEU E 5 143 ? -26.118 39.968 -12.976 1.00 31.33 ? 146 LEU E O 1 -ATOM 5550 C CB . LEU E 5 143 ? -26.430 41.881 -15.475 1.00 28.19 ? 146 LEU E CB 1 -ATOM 5551 C CG . LEU E 5 143 ? -26.917 42.758 -16.643 1.00 27.80 ? 146 LEU E CG 1 -ATOM 5552 C CD1 . LEU E 5 143 ? -28.170 43.502 -16.296 1.00 30.53 ? 146 LEU E CD1 1 -ATOM 5553 C CD2 . LEU E 5 143 ? -25.853 43.771 -16.987 1.00 27.03 ? 146 LEU E CD2 1 -ATOM 5554 N N . VAL E 5 144 ? -25.868 38.726 -14.817 1.00 27.28 ? 147 VAL E N 1 -ATOM 5555 C CA . VAL E 5 144 ? -24.959 37.787 -14.183 1.00 23.84 ? 147 VAL E CA 1 -ATOM 5556 C C . VAL E 5 144 ? -23.742 37.538 -15.061 1.00 25.43 ? 147 VAL E C 1 -ATOM 5557 O O . VAL E 5 144 ? -23.863 37.253 -16.244 1.00 25.49 ? 147 VAL E O 1 -ATOM 5558 C CB . VAL E 5 144 ? -25.664 36.443 -13.786 1.00 27.54 ? 147 VAL E CB 1 -ATOM 5559 C CG1 . VAL E 5 144 ? -26.662 36.045 -14.804 1.00 32.26 ? 147 VAL E CG1 1 -ATOM 5560 C CG2 . VAL E 5 144 ? -24.641 35.310 -13.600 1.00 26.57 ? 147 VAL E CG2 1 -ATOM 5561 N N . CYS E 5 145 ? -22.566 37.733 -14.484 1.00 26.81 ? 148 CYS E N 1 -ATOM 5562 C CA . CYS E 5 145 ? -21.324 37.523 -15.192 1.00 26.69 ? 148 CYS E CA 1 -ATOM 5563 C C . CYS E 5 145 ? -20.860 36.110 -14.922 1.00 30.90 ? 148 CYS E C 1 -ATOM 5564 O O . CYS E 5 145 ? -21.043 35.607 -13.820 1.00 39.07 ? 148 CYS E O 1 -ATOM 5565 C CB . CYS E 5 145 ? -20.263 38.478 -14.684 1.00 23.83 ? 148 CYS E CB 1 -ATOM 5566 S SG . CYS E 5 145 ? -18.740 38.270 -15.623 1.00 37.11 ? 148 CYS E SG 1 -ATOM 5567 N N . LEU E 5 146 ? -20.212 35.482 -15.893 1.00 33.42 ? 149 LEU E N 1 -ATOM 5568 C CA . LEU E 5 146 ? -19.737 34.121 -15.701 1.00 32.82 ? 149 LEU E CA 1 -ATOM 5569 C C . LEU E 5 146 ? -18.364 33.930 -16.324 1.00 35.73 ? 149 LEU E C 1 -ATOM 5570 O O . LEU E 5 146 ? -18.205 33.911 -17.553 1.00 38.04 ? 149 LEU E O 1 -ATOM 5571 C CB . LEU E 5 146 ? -20.736 33.118 -16.282 1.00 33.20 ? 149 LEU E CB 1 -ATOM 5572 C CG . LEU E 5 146 ? -20.601 31.649 -15.875 1.00 29.52 ? 149 LEU E CG 1 -ATOM 5573 C CD1 . LEU E 5 146 ? -20.541 31.546 -14.348 1.00 31.82 ? 149 LEU E CD1 1 -ATOM 5574 C CD2 . LEU E 5 146 ? -21.782 30.857 -16.435 1.00 25.92 ? 149 LEU E CD2 1 -ATOM 5575 N N . ALA E 5 147 ? -17.366 33.838 -15.454 1.00 34.21 ? 150 ALA E N 1 -ATOM 5576 C CA . ALA E 5 147 ? -15.987 33.639 -15.865 1.00 31.48 ? 150 ALA E CA 1 -ATOM 5577 C C . ALA E 5 147 ? -15.726 32.161 -15.706 1.00 27.53 ? 150 ALA E C 1 -ATOM 5578 O O . ALA E 5 147 ? -15.992 31.617 -14.646 1.00 34.76 ? 150 ALA E O 1 -ATOM 5579 C CB . ALA E 5 147 ? -15.054 34.426 -14.962 1.00 25.34 ? 150 ALA E CB 1 -ATOM 5580 N N . THR E 5 148 ? -15.244 31.497 -16.750 1.00 27.25 ? 151 THR E N 1 -ATOM 5581 C CA . THR E 5 148 ? -14.964 30.069 -16.647 1.00 30.63 ? 151 THR E CA 1 -ATOM 5582 C C . THR E 5 148 ? -13.711 29.636 -17.384 1.00 25.98 ? 151 THR E C 1 -ATOM 5583 O O . THR E 5 148 ? -13.107 30.421 -18.118 1.00 25.72 ? 151 THR E O 1 -ATOM 5584 C CB . THR E 5 148 ? -16.137 29.194 -17.167 1.00 35.64 ? 151 THR E CB 1 -ATOM 5585 O OG1 . THR E 5 148 ? -16.256 29.337 -18.590 1.00 49.31 ? 151 THR E OG1 1 -ATOM 5586 C CG2 . THR E 5 148 ? -17.439 29.587 -16.508 1.00 36.27 ? 151 THR E CG2 1 -ATOM 5587 N N . GLY E 5 149 ? -13.275 28.416 -17.077 1.00 25.99 ? 152 GLY E N 1 -ATOM 5588 C CA . GLY E 5 149 ? -12.118 27.825 -17.725 1.00 24.30 ? 152 GLY E CA 1 -ATOM 5589 C C . GLY E 5 149 ? -10.743 28.229 -17.255 1.00 26.73 ? 152 GLY E C 1 -ATOM 5590 O O . GLY E 5 149 ? -9.750 27.609 -17.652 1.00 27.77 ? 152 GLY E O 1 -ATOM 5591 N N . PHE E 5 150 ? -10.670 29.226 -16.385 1.00 25.50 ? 153 PHE E N 1 -ATOM 5592 C CA . PHE E 5 150 ? -9.378 29.673 -15.904 1.00 22.22 ? 153 PHE E CA 1 -ATOM 5593 C C . PHE E 5 150 ? -8.667 28.793 -14.863 1.00 25.03 ? 153 PHE E C 1 -ATOM 5594 O O . PHE E 5 150 ? -9.277 28.088 -14.071 1.00 24.77 ? 153 PHE E O 1 -ATOM 5595 C CB . PHE E 5 150 ? -9.454 31.120 -15.401 1.00 24.57 ? 153 PHE E CB 1 -ATOM 5596 C CG . PHE E 5 150 ? -10.326 31.316 -14.181 1.00 18.69 ? 153 PHE E CG 1 -ATOM 5597 C CD1 . PHE E 5 150 ? -11.692 31.481 -14.313 1.00 17.40 ? 153 PHE E CD1 1 -ATOM 5598 C CD2 . PHE E 5 150 ? -9.773 31.375 -12.917 1.00 16.74 ? 153 PHE E CD2 1 -ATOM 5599 C CE1 . PHE E 5 150 ? -12.499 31.702 -13.214 1.00 19.16 ? 153 PHE E CE1 1 -ATOM 5600 C CE2 . PHE E 5 150 ? -10.574 31.596 -11.816 1.00 22.77 ? 153 PHE E CE2 1 -ATOM 5601 C CZ . PHE E 5 150 ? -11.942 31.759 -11.970 1.00 26.07 ? 153 PHE E CZ 1 -ATOM 5602 N N . TYR E 5 151 ? -7.349 28.830 -14.921 1.00 26.69 ? 154 TYR E N 1 -ATOM 5603 C CA . TYR E 5 151 ? -6.475 28.136 -14.010 1.00 28.69 ? 154 TYR E CA 1 -ATOM 5604 C C . TYR E 5 151 ? -5.156 28.906 -14.154 1.00 32.54 ? 154 TYR E C 1 -ATOM 5605 O O . TYR E 5 151 ? -4.676 29.114 -15.263 1.00 35.00 ? 154 TYR E O 1 -ATOM 5606 C CB . TYR E 5 151 ? -6.296 26.665 -14.392 1.00 32.87 ? 154 TYR E CB 1 -ATOM 5607 C CG . TYR E 5 151 ? -5.250 26.027 -13.519 1.00 40.98 ? 154 TYR E CG 1 -ATOM 5608 C CD1 . TYR E 5 151 ? -5.576 25.501 -12.272 1.00 45.04 ? 154 TYR E CD1 1 -ATOM 5609 C CD2 . TYR E 5 151 ? -3.909 26.091 -13.869 1.00 45.63 ? 154 TYR E CD2 1 -ATOM 5610 C CE1 . TYR E 5 151 ? -4.589 25.063 -11.394 1.00 50.99 ? 154 TYR E CE1 1 -ATOM 5611 C CE2 . TYR E 5 151 ? -2.912 25.662 -12.999 1.00 52.68 ? 154 TYR E CE2 1 -ATOM 5612 C CZ . TYR E 5 151 ? -3.254 25.154 -11.762 1.00 52.49 ? 154 TYR E CZ 1 -ATOM 5613 O OH . TYR E 5 151 ? -2.256 24.771 -10.894 1.00 53.27 ? 154 TYR E OH 1 -ATOM 5614 N N . PRO E 5 152 ? -4.541 29.359 -13.035 1.00 34.50 ? 155 PRO E N 1 -ATOM 5615 C CA . PRO E 5 152 ? -4.916 29.285 -11.613 1.00 30.53 ? 155 PRO E CA 1 -ATOM 5616 C C . PRO E 5 152 ? -6.084 30.200 -11.260 1.00 29.16 ? 155 PRO E C 1 -ATOM 5617 O O . PRO E 5 152 ? -6.407 31.113 -12.011 1.00 31.71 ? 155 PRO E O 1 -ATOM 5618 C CB . PRO E 5 152 ? -3.631 29.734 -10.930 1.00 26.85 ? 155 PRO E CB 1 -ATOM 5619 C CG . PRO E 5 152 ? -3.124 30.765 -11.875 1.00 28.08 ? 155 PRO E CG 1 -ATOM 5620 C CD . PRO E 5 152 ? -3.276 30.082 -13.200 1.00 31.39 ? 155 PRO E CD 1 -ATOM 5621 N N . ASP E 5 153 ? -6.705 29.971 -10.108 1.00 25.63 ? 156 ASP E N 1 -ATOM 5622 C CA . ASP E 5 153 ? -7.846 30.776 -9.676 1.00 25.61 ? 156 ASP E CA 1 -ATOM 5623 C C . ASP E 5 153 ? -7.562 32.256 -9.327 1.00 25.96 ? 156 ASP E C 1 -ATOM 5624 O O . ASP E 5 153 ? -8.396 32.912 -8.699 1.00 32.69 ? 156 ASP E O 1 -ATOM 5625 C CB . ASP E 5 153 ? -8.561 30.094 -8.499 1.00 29.14 ? 156 ASP E CB 1 -ATOM 5626 C CG . ASP E 5 153 ? -7.689 29.983 -7.246 1.00 35.32 ? 156 ASP E CG 1 -ATOM 5627 O OD1 . ASP E 5 153 ? -6.444 29.843 -7.356 1.00 36.00 ? 156 ASP E OD1 1 -ATOM 5628 O OD2 . ASP E 5 153 ? -8.263 30.020 -6.137 1.00 37.89 ? 156 ASP E OD2 1 -ATOM 5629 N N . HIS E 5 154 ? -6.414 32.787 -9.746 1.00 17.37 ? 157 HIS E N 1 -ATOM 5630 C CA . HIS E 5 154 ? -6.051 34.178 -9.470 1.00 14.45 ? 157 HIS E CA 1 -ATOM 5631 C C . HIS E 5 154 ? -6.869 35.162 -10.320 1.00 19.05 ? 157 HIS E C 1 -ATOM 5632 O O . HIS E 5 154 ? -6.443 35.542 -11.416 1.00 16.46 ? 157 HIS E O 1 -ATOM 5633 C CB . HIS E 5 154 ? -4.569 34.424 -9.783 1.00 17.30 ? 157 HIS E CB 1 -ATOM 5634 C CG . HIS E 5 154 ? -3.617 33.511 -9.071 1.00 19.44 ? 157 HIS E CG 1 -ATOM 5635 N ND1 . HIS E 5 154 ? -4.027 32.521 -8.202 1.00 22.15 ? 157 HIS E ND1 1 -ATOM 5636 C CD2 . HIS E 5 154 ? -2.261 33.437 -9.110 1.00 23.58 ? 157 HIS E CD2 1 -ATOM 5637 C CE1 . HIS E 5 154 ? -2.970 31.878 -7.736 1.00 22.77 ? 157 HIS E CE1 1 -ATOM 5638 N NE2 . HIS E 5 154 ? -1.887 32.415 -8.273 1.00 24.51 ? 157 HIS E NE2 1 -ATOM 5639 N N . VAL E 5 155 ? -8.036 35.574 -9.843 1.00 22.07 ? 158 VAL E N 1 -ATOM 5640 C CA . VAL E 5 155 ? -8.837 36.520 -10.616 1.00 25.72 ? 158 VAL E CA 1 -ATOM 5641 C C . VAL E 5 155 ? -9.540 37.600 -9.815 1.00 28.40 ? 158 VAL E C 1 -ATOM 5642 O O . VAL E 5 155 ? -9.923 37.397 -8.663 1.00 30.82 ? 158 VAL E O 1 -ATOM 5643 C CB . VAL E 5 155 ? -9.931 35.830 -11.484 1.00 21.13 ? 158 VAL E CB 1 -ATOM 5644 C CG1 . VAL E 5 155 ? -9.302 34.867 -12.503 1.00 15.84 ? 158 VAL E CG1 1 -ATOM 5645 C CG2 . VAL E 5 155 ? -10.981 35.179 -10.592 1.00 11.93 ? 158 VAL E CG2 1 -ATOM 5646 N N . GLU E 5 156 ? -9.781 38.716 -10.500 1.00 32.46 ? 159 GLU E N 1 -ATOM 5647 C CA . GLU E 5 156 ? -10.460 39.894 -9.967 1.00 27.84 ? 159 GLU E CA 1 -ATOM 5648 C C . GLU E 5 156 ? -11.554 40.336 -10.954 1.00 22.63 ? 159 GLU E C 1 -ATOM 5649 O O . GLU E 5 156 ? -11.272 40.862 -12.028 1.00 26.91 ? 159 GLU E O 1 -ATOM 5650 C CB . GLU E 5 156 ? -9.452 41.041 -9.758 1.00 28.10 ? 159 GLU E CB 1 -ATOM 5651 C CG . GLU E 5 156 ? -8.483 40.832 -8.610 1.00 32.98 ? 159 GLU E CG 1 -ATOM 5652 C CD . GLU E 5 156 ? -7.334 41.826 -8.593 1.00 36.00 ? 159 GLU E CD 1 -ATOM 5653 O OE1 . GLU E 5 156 ? -7.407 42.855 -9.287 1.00 38.25 ? 159 GLU E OE1 1 -ATOM 5654 O OE2 . GLU E 5 156 ? -6.343 41.572 -7.882 1.00 41.07 ? 159 GLU E OE2 1 -ATOM 5655 N N . LEU E 5 157 ? -12.800 40.084 -10.598 1.00 17.49 ? 160 LEU E N 1 -ATOM 5656 C CA . LEU E 5 157 ? -13.933 40.452 -11.427 1.00 25.49 ? 160 LEU E CA 1 -ATOM 5657 C C . LEU E 5 157 ? -14.608 41.744 -10.925 1.00 28.88 ? 160 LEU E C 1 -ATOM 5658 O O . LEU E 5 157 ? -14.986 41.848 -9.749 1.00 30.27 ? 160 LEU E O 1 -ATOM 5659 C CB . LEU E 5 157 ? -14.932 39.283 -11.455 1.00 27.78 ? 160 LEU E CB 1 -ATOM 5660 C CG . LEU E 5 157 ? -16.325 39.400 -12.083 1.00 24.65 ? 160 LEU E CG 1 -ATOM 5661 C CD1 . LEU E 5 157 ? -16.889 38.022 -12.352 1.00 30.43 ? 160 LEU E CD1 1 -ATOM 5662 C CD2 . LEU E 5 157 ? -17.236 40.141 -11.170 1.00 29.65 ? 160 LEU E CD2 1 -ATOM 5663 N N . SER E 5 158 ? -14.781 42.713 -11.827 1.00 31.98 ? 161 SER E N 1 -ATOM 5664 C CA . SER E 5 158 ? -15.419 43.989 -11.507 1.00 24.24 ? 161 SER E CA 1 -ATOM 5665 C C . SER E 5 158 ? -16.482 44.359 -12.534 1.00 31.95 ? 161 SER E C 1 -ATOM 5666 O O . SER E 5 158 ? -16.406 43.961 -13.697 1.00 32.56 ? 161 SER E O 1 -ATOM 5667 C CB . SER E 5 158 ? -14.381 45.110 -11.431 1.00 18.91 ? 161 SER E CB 1 -ATOM 5668 O OG . SER E 5 158 ? -13.550 45.164 -12.579 1.00 20.43 ? 161 SER E OG 1 -ATOM 5669 N N . TRP E 5 159 ? -17.492 45.096 -12.090 1.00 33.31 ? 162 TRP E N 1 -ATOM 5670 C CA . TRP E 5 159 ? -18.561 45.526 -12.972 1.00 30.09 ? 162 TRP E CA 1 -ATOM 5671 C C . TRP E 5 159 ? -18.422 47.008 -13.303 1.00 33.54 ? 162 TRP E C 1 -ATOM 5672 O O . TRP E 5 159 ? -18.139 47.832 -12.429 1.00 33.81 ? 162 TRP E O 1 -ATOM 5673 C CB . TRP E 5 159 ? -19.916 45.272 -12.331 1.00 31.30 ? 162 TRP E CB 1 -ATOM 5674 C CG . TRP E 5 159 ? -20.320 43.835 -12.313 1.00 28.67 ? 162 TRP E CG 1 -ATOM 5675 C CD1 . TRP E 5 159 ? -20.075 42.929 -11.331 1.00 23.65 ? 162 TRP E CD1 1 -ATOM 5676 C CD2 . TRP E 5 159 ? -21.114 43.153 -13.307 1.00 29.58 ? 162 TRP E CD2 1 -ATOM 5677 N NE1 . TRP E 5 159 ? -20.672 41.728 -11.628 1.00 29.62 ? 162 TRP E NE1 1 -ATOM 5678 C CE2 . TRP E 5 159 ? -21.315 41.839 -12.838 1.00 28.77 ? 162 TRP E CE2 1 -ATOM 5679 C CE3 . TRP E 5 159 ? -21.670 43.528 -14.537 1.00 26.43 ? 162 TRP E CE3 1 -ATOM 5680 C CZ2 . TRP E 5 159 ? -22.055 40.894 -13.556 1.00 21.31 ? 162 TRP E CZ2 1 -ATOM 5681 C CZ3 . TRP E 5 159 ? -22.408 42.589 -15.255 1.00 18.37 ? 162 TRP E CZ3 1 -ATOM 5682 C CH2 . TRP E 5 159 ? -22.592 41.288 -14.759 1.00 23.38 ? 162 TRP E CH2 1 -ATOM 5683 N N . TRP E 5 160 ? -18.658 47.342 -14.569 1.00 35.78 ? 163 TRP E N 1 -ATOM 5684 C CA . TRP E 5 160 ? -18.552 48.713 -15.062 1.00 34.03 ? 163 TRP E CA 1 -ATOM 5685 C C . TRP E 5 160 ? -19.758 49.128 -15.912 1.00 36.13 ? 163 TRP E C 1 -ATOM 5686 O O . TRP E 5 160 ? -20.065 48.481 -16.915 1.00 40.57 ? 163 TRP E O 1 -ATOM 5687 C CB . TRP E 5 160 ? -17.303 48.843 -15.927 1.00 29.00 ? 163 TRP E CB 1 -ATOM 5688 C CG . TRP E 5 160 ? -16.008 48.478 -15.271 1.00 25.34 ? 163 TRP E CG 1 -ATOM 5689 C CD1 . TRP E 5 160 ? -15.598 47.227 -14.865 1.00 19.97 ? 163 TRP E CD1 1 -ATOM 5690 C CD2 . TRP E 5 160 ? -14.894 49.344 -15.076 1.00 19.20 ? 163 TRP E CD2 1 -ATOM 5691 N NE1 . TRP E 5 160 ? -14.288 47.277 -14.452 1.00 18.80 ? 163 TRP E NE1 1 -ATOM 5692 C CE2 . TRP E 5 160 ? -13.830 48.560 -14.576 1.00 18.64 ? 163 TRP E CE2 1 -ATOM 5693 C CE3 . TRP E 5 160 ? -14.683 50.712 -15.297 1.00 15.54 ? 163 TRP E CE3 1 -ATOM 5694 C CZ2 . TRP E 5 160 ? -12.575 49.102 -14.302 1.00 25.44 ? 163 TRP E CZ2 1 -ATOM 5695 C CZ3 . TRP E 5 160 ? -13.440 51.246 -15.024 1.00 15.62 ? 163 TRP E CZ3 1 -ATOM 5696 C CH2 . TRP E 5 160 ? -12.398 50.443 -14.533 1.00 22.71 ? 163 TRP E CH2 1 -ATOM 5697 N N . VAL E 5 161 ? -20.404 50.232 -15.551 1.00 34.51 ? 164 VAL E N 1 -ATOM 5698 C CA . VAL E 5 161 ? -21.557 50.718 -16.308 1.00 35.57 ? 164 VAL E CA 1 -ATOM 5699 C C . VAL E 5 161 ? -21.191 52.070 -16.886 1.00 36.47 ? 164 VAL E C 1 -ATOM 5700 O O . VAL E 5 161 ? -20.689 52.937 -16.169 1.00 40.91 ? 164 VAL E O 1 -ATOM 5701 C CB . VAL E 5 161 ? -22.816 50.868 -15.425 1.00 38.67 ? 164 VAL E CB 1 -ATOM 5702 C CG1 . VAL E 5 161 ? -23.924 51.587 -16.187 1.00 35.13 ? 164 VAL E CG1 1 -ATOM 5703 C CG2 . VAL E 5 161 ? -23.304 49.499 -14.977 1.00 36.78 ? 164 VAL E CG2 1 -ATOM 5704 N N . ASN E 5 162 ? -21.422 52.242 -18.183 1.00 33.85 ? 165 ASN E N 1 -ATOM 5705 C CA . ASN E 5 162 ? -21.101 53.488 -18.865 1.00 29.08 ? 165 ASN E CA 1 -ATOM 5706 C C . ASN E 5 162 ? -19.630 53.855 -18.647 1.00 30.67 ? 165 ASN E C 1 -ATOM 5707 O O . ASN E 5 162 ? -19.275 55.011 -18.419 1.00 32.40 ? 165 ASN E O 1 -ATOM 5708 C CB . ASN E 5 162 ? -22.055 54.622 -18.443 1.00 35.40 ? 165 ASN E CB 1 -ATOM 5709 C CG . ASN E 5 162 ? -23.497 54.391 -18.918 1.00 39.55 ? 165 ASN E CG 1 -ATOM 5710 O OD1 . ASN E 5 162 ? -23.752 53.498 -19.728 1.00 40.58 ? 165 ASN E OD1 1 -ATOM 5711 N ND2 . ASN E 5 162 ? -24.443 55.164 -18.384 1.00 34.70 ? 165 ASN E ND2 1 -ATOM 5712 N N . GLY E 5 163 ? -18.782 52.832 -18.701 1.00 30.86 ? 166 GLY E N 1 -ATOM 5713 C CA . GLY E 5 163 ? -17.352 53.013 -18.550 1.00 34.37 ? 166 GLY E CA 1 -ATOM 5714 C C . GLY E 5 163 ? -16.835 53.276 -17.154 1.00 38.45 ? 166 GLY E C 1 -ATOM 5715 O O . GLY E 5 163 ? -15.637 53.200 -16.926 1.00 46.52 ? 166 GLY E O 1 -ATOM 5716 N N . LYS E 5 164 ? -17.718 53.537 -16.203 1.00 42.62 ? 167 LYS E N 1 -ATOM 5717 C CA . LYS E 5 164 ? -17.277 53.821 -14.844 1.00 42.86 ? 167 LYS E CA 1 -ATOM 5718 C C . LYS E 5 164 ? -17.574 52.628 -13.948 1.00 40.91 ? 167 LYS E C 1 -ATOM 5719 O O . LYS E 5 164 ? -18.640 52.018 -14.051 1.00 39.58 ? 167 LYS E O 1 -ATOM 5720 C CB . LYS E 5 164 ? -17.978 55.079 -14.324 1.00 49.22 ? 167 LYS E CB 1 -ATOM 5721 C CG . LYS E 5 164 ? -17.652 56.348 -15.108 1.00 58.00 ? 167 LYS E CG 1 -ATOM 5722 C CD . LYS E 5 164 ? -18.901 57.191 -15.306 1.00 69.73 ? 167 LYS E CD 1 -ATOM 5723 C CE . LYS E 5 164 ? -18.651 58.419 -16.178 1.00 72.22 ? 167 LYS E CE 1 -ATOM 5724 N NZ . LYS E 5 164 ? -19.956 59.012 -16.618 1.00 74.32 ? 167 LYS E NZ 1 -ATOM 5725 N N . GLU E 5 165 ? -16.629 52.261 -13.093 1.00 39.53 ? 168 GLU E N 1 -ATOM 5726 C CA . GLU E 5 165 ? -16.872 51.128 -12.221 1.00 44.57 ? 168 GLU E CA 1 -ATOM 5727 C C . GLU E 5 165 ? -18.071 51.337 -11.288 1.00 50.20 ? 168 GLU E C 1 -ATOM 5728 O O . GLU E 5 165 ? -18.430 52.473 -10.932 1.00 50.23 ? 168 GLU E O 1 -ATOM 5729 C CB . GLU E 5 165 ? -15.630 50.739 -11.427 1.00 40.63 ? 168 GLU E CB 1 -ATOM 5730 C CG . GLU E 5 165 ? -15.772 49.355 -10.823 1.00 35.02 ? 168 GLU E CG 1 -ATOM 5731 C CD . GLU E 5 165 ? -14.536 48.870 -10.100 1.00 46.22 ? 168 GLU E CD 1 -ATOM 5732 O OE1 . GLU E 5 165 ? -13.471 49.540 -10.160 1.00 43.89 ? 168 GLU E OE1 1 -ATOM 5733 O OE2 . GLU E 5 165 ? -14.644 47.795 -9.466 1.00 49.27 ? 168 GLU E OE2 1 -ATOM 5734 N N . VAL E 5 166 ? -18.702 50.217 -10.936 1.00 51.90 ? 169 VAL E N 1 -ATOM 5735 C CA . VAL E 5 166 ? -19.873 50.179 -10.071 1.00 50.12 ? 169 VAL E CA 1 -ATOM 5736 C C . VAL E 5 166 ? -19.616 49.194 -8.927 1.00 52.36 ? 169 VAL E C 1 -ATOM 5737 O O . VAL E 5 166 ? -18.902 48.195 -9.091 1.00 54.75 ? 169 VAL E O 1 -ATOM 5738 C CB . VAL E 5 166 ? -21.112 49.730 -10.881 1.00 48.39 ? 169 VAL E CB 1 -ATOM 5739 C CG1 . VAL E 5 166 ? -22.281 49.431 -9.973 1.00 56.17 ? 169 VAL E CG1 1 -ATOM 5740 C CG2 . VAL E 5 166 ? -21.496 50.813 -11.864 1.00 53.38 ? 169 VAL E CG2 1 -ATOM 5741 N N . HIS E 5 167 ? -20.156 49.514 -7.755 1.00 52.31 ? 170 HIS E N 1 -ATOM 5742 C CA . HIS E 5 167 ? -20.008 48.669 -6.577 1.00 50.18 ? 170 HIS E CA 1 -ATOM 5743 C C . HIS E 5 167 ? -21.348 48.276 -5.988 1.00 47.91 ? 170 HIS E C 1 -ATOM 5744 O O . HIS E 5 167 ? -21.489 47.181 -5.441 1.00 52.26 ? 170 HIS E O 1 -ATOM 5745 C CB . HIS E 5 167 ? -19.163 49.367 -5.517 1.00 51.72 ? 170 HIS E CB 1 -ATOM 5746 C CG . HIS E 5 167 ? -17.713 49.410 -5.857 1.00 54.66 ? 170 HIS E CG 1 -ATOM 5747 N ND1 . HIS E 5 167 ? -16.907 48.293 -5.792 1.00 54.23 ? 170 HIS E ND1 1 -ATOM 5748 C CD2 . HIS E 5 167 ? -16.934 50.414 -6.325 1.00 53.44 ? 170 HIS E CD2 1 -ATOM 5749 C CE1 . HIS E 5 167 ? -15.693 48.606 -6.210 1.00 57.28 ? 170 HIS E CE1 1 -ATOM 5750 N NE2 . HIS E 5 167 ? -15.682 49.886 -6.540 1.00 56.93 ? 170 HIS E NE2 1 -ATOM 5751 N N . SER E 5 168 ? -22.319 49.180 -6.087 1.00 43.63 ? 171 SER E N 1 -ATOM 5752 C CA . SER E 5 168 ? -23.659 48.946 -5.567 1.00 42.14 ? 171 SER E CA 1 -ATOM 5753 C C . SER E 5 168 ? -24.335 47.875 -6.420 1.00 39.89 ? 171 SER E C 1 -ATOM 5754 O O . SER E 5 168 ? -23.980 47.666 -7.587 1.00 39.29 ? 171 SER E O 1 -ATOM 5755 C CB . SER E 5 168 ? -24.472 50.257 -5.606 1.00 47.78 ? 171 SER E CB 1 -ATOM 5756 O OG . SER E 5 168 ? -25.739 50.159 -4.959 1.00 51.13 ? 171 SER E OG 1 -ATOM 5757 N N . GLY E 5 169 ? -25.269 47.155 -5.815 1.00 35.76 ? 172 GLY E N 1 -ATOM 5758 C CA . GLY E 5 169 ? -25.987 46.135 -6.550 1.00 28.50 ? 172 GLY E CA 1 -ATOM 5759 C C . GLY E 5 169 ? -25.184 44.929 -6.971 1.00 29.97 ? 172 GLY E C 1 -ATOM 5760 O O . GLY E 5 169 ? -25.767 43.941 -7.430 1.00 25.22 ? 172 GLY E O 1 -ATOM 5761 N N . VAL E 5 170 ? -23.861 44.987 -6.836 1.00 29.35 ? 173 VAL E N 1 -ATOM 5762 C CA . VAL E 5 170 ? -23.064 43.837 -7.218 1.00 32.45 ? 173 VAL E CA 1 -ATOM 5763 C C . VAL E 5 170 ? -22.802 42.918 -6.047 1.00 34.32 ? 173 VAL E C 1 -ATOM 5764 O O . VAL E 5 170 ? -22.747 43.351 -4.887 1.00 33.57 ? 173 VAL E O 1 -ATOM 5765 C CB . VAL E 5 170 ? -21.736 44.181 -8.001 1.00 34.45 ? 173 VAL E CB 1 -ATOM 5766 C CG1 . VAL E 5 170 ? -21.560 45.664 -8.192 1.00 35.15 ? 173 VAL E CG1 1 -ATOM 5767 C CG2 . VAL E 5 170 ? -20.520 43.558 -7.343 1.00 36.21 ? 173 VAL E CG2 1 -ATOM 5768 N N . SER E 5 171 ? -22.691 41.637 -6.391 1.00 35.30 ? 174 SER E N 1 -ATOM 5769 C CA . SER E 5 171 ? -22.448 40.531 -5.475 1.00 34.55 ? 174 SER E CA 1 -ATOM 5770 C C . SER E 5 171 ? -21.583 39.544 -6.243 1.00 34.23 ? 174 SER E C 1 -ATOM 5771 O O . SER E 5 171 ? -21.982 39.069 -7.295 1.00 36.07 ? 174 SER E O 1 -ATOM 5772 C CB . SER E 5 171 ? -23.764 39.845 -5.123 1.00 32.86 ? 174 SER E CB 1 -ATOM 5773 O OG . SER E 5 171 ? -23.533 38.569 -4.557 1.00 36.14 ? 174 SER E OG 1 -ATOM 5774 N N . THR E 5 172 ? -20.446 39.167 -5.682 1.00 32.63 ? 175 THR E N 1 -ATOM 5775 C CA . THR E 5 172 ? -19.554 38.255 -6.361 1.00 35.19 ? 175 THR E CA 1 -ATOM 5776 C C . THR E 5 172 ? -18.986 37.189 -5.428 1.00 36.42 ? 175 THR E C 1 -ATOM 5777 O O . THR E 5 172 ? -18.503 37.502 -4.332 1.00 42.61 ? 175 THR E O 1 -ATOM 5778 C CB . THR E 5 172 ? -18.425 39.066 -7.050 1.00 37.24 ? 175 THR E CB 1 -ATOM 5779 O OG1 . THR E 5 172 ? -17.369 38.198 -7.452 1.00 44.82 ? 175 THR E OG1 1 -ATOM 5780 C CG2 . THR E 5 172 ? -17.877 40.126 -6.122 1.00 45.25 ? 175 THR E CG2 1 -ATOM 5781 N N . ASP E 5 173 ? -19.060 35.930 -5.858 1.00 34.33 ? 176 ASP E N 1 -ATOM 5782 C CA . ASP E 5 173 ? -18.542 34.804 -5.079 1.00 36.93 ? 176 ASP E CA 1 -ATOM 5783 C C . ASP E 5 173 ? -17.215 35.090 -4.403 1.00 41.23 ? 176 ASP E C 1 -ATOM 5784 O O . ASP E 5 173 ? -16.256 35.510 -5.047 1.00 45.16 ? 176 ASP E O 1 -ATOM 5785 C CB . ASP E 5 173 ? -18.342 33.597 -5.966 1.00 33.97 ? 176 ASP E CB 1 -ATOM 5786 C CG . ASP E 5 173 ? -19.601 33.142 -6.592 1.00 37.17 ? 176 ASP E CG 1 -ATOM 5787 O OD1 . ASP E 5 173 ? -20.676 33.441 -6.036 1.00 43.61 ? 176 ASP E OD1 1 -ATOM 5788 O OD2 . ASP E 5 173 ? -19.513 32.489 -7.647 1.00 40.93 ? 176 ASP E OD2 1 -ATOM 5789 N N . PRO E 5 174 ? -17.117 34.759 -3.110 1.00 43.39 ? 177 PRO E N 1 -ATOM 5790 C CA . PRO E 5 174 ? -15.906 34.974 -2.314 1.00 42.15 ? 177 PRO E CA 1 -ATOM 5791 C C . PRO E 5 174 ? -14.738 34.139 -2.804 1.00 39.65 ? 177 PRO E C 1 -ATOM 5792 O O . PRO E 5 174 ? -13.581 34.533 -2.648 1.00 40.85 ? 177 PRO E O 1 -ATOM 5793 C CB . PRO E 5 174 ? -16.337 34.533 -0.916 1.00 44.05 ? 177 PRO E CB 1 -ATOM 5794 C CG . PRO E 5 174 ? -17.825 34.723 -0.932 1.00 49.30 ? 177 PRO E CG 1 -ATOM 5795 C CD . PRO E 5 174 ? -18.177 34.175 -2.286 1.00 46.82 ? 177 PRO E CD 1 -ATOM 5796 N N . GLN E 5 175 ? -15.043 32.988 -3.397 1.00 34.72 ? 178 GLN E N 1 -ATOM 5797 C CA . GLN E 5 175 ? -14.005 32.099 -3.888 1.00 35.02 ? 178 GLN E CA 1 -ATOM 5798 C C . GLN E 5 175 ? -14.490 31.332 -5.114 1.00 34.44 ? 178 GLN E C 1 -ATOM 5799 O O . GLN E 5 175 ? -15.648 30.936 -5.176 1.00 37.26 ? 178 GLN E O 1 -ATOM 5800 C CB . GLN E 5 175 ? -13.577 31.137 -2.772 1.00 38.19 ? 178 GLN E CB 1 -ATOM 5801 N N . PRO E 5 176 ? -13.632 31.169 -6.132 1.00 35.86 ? 179 PRO E N 1 -ATOM 5802 C CA . PRO E 5 176 ? -13.995 30.450 -7.356 1.00 35.89 ? 179 PRO E CA 1 -ATOM 5803 C C . PRO E 5 176 ? -14.213 28.952 -7.112 1.00 35.91 ? 179 PRO E C 1 -ATOM 5804 O O . PRO E 5 176 ? -13.543 28.342 -6.278 1.00 39.78 ? 179 PRO E O 1 -ATOM 5805 C CB . PRO E 5 176 ? -12.777 30.673 -8.268 1.00 36.07 ? 179 PRO E CB 1 -ATOM 5806 C CG . PRO E 5 176 ? -12.146 31.935 -7.743 1.00 35.30 ? 179 PRO E CG 1 -ATOM 5807 C CD . PRO E 5 176 ? -12.268 31.731 -6.256 1.00 38.16 ? 179 PRO E CD 1 -ATOM 5808 N N . LEU E 5 177 ? -15.105 28.354 -7.882 1.00 35.16 ? 180 LEU E N 1 -ATOM 5809 C CA . LEU E 5 177 ? -15.381 26.933 -7.751 1.00 37.18 ? 180 LEU E CA 1 -ATOM 5810 C C . LEU E 5 177 ? -14.641 26.093 -8.797 1.00 42.95 ? 180 LEU E C 1 -ATOM 5811 O O . LEU E 5 177 ? -14.603 26.443 -9.981 1.00 44.66 ? 180 LEU E O 1 -ATOM 5812 C CB . LEU E 5 177 ? -16.886 26.673 -7.843 1.00 41.74 ? 180 LEU E CB 1 -ATOM 5813 C CG . LEU E 5 177 ? -17.678 27.339 -8.969 1.00 43.89 ? 180 LEU E CG 1 -ATOM 5814 C CD1 . LEU E 5 177 ? -18.480 26.318 -9.744 1.00 46.05 ? 180 LEU E CD1 1 -ATOM 5815 C CD2 . LEU E 5 177 ? -18.589 28.395 -8.375 1.00 49.30 ? 180 LEU E CD2 1 -ATOM 5816 N N . LYS E 5 178 ? -14.021 25.002 -8.350 1.00 48.78 ? 181 LYS E N 1 -ATOM 5817 C CA . LYS E 5 178 ? -13.298 24.101 -9.255 1.00 49.94 ? 181 LYS E CA 1 -ATOM 5818 C C . LYS E 5 178 ? -14.354 23.435 -10.134 1.00 51.63 ? 181 LYS E C 1 -ATOM 5819 O O . LYS E 5 178 ? -15.370 22.961 -9.619 1.00 54.48 ? 181 LYS E O 1 -ATOM 5820 C CB . LYS E 5 178 ? -12.514 23.046 -8.451 1.00 45.45 ? 181 LYS E CB 1 -ATOM 5821 N N . GLU E 5 179 ? -14.130 23.395 -11.444 1.00 50.77 ? 182 GLU E N 1 -ATOM 5822 C CA . GLU E 5 179 ? -15.115 22.799 -12.339 1.00 53.46 ? 182 GLU E CA 1 -ATOM 5823 C C . GLU E 5 179 ? -14.862 21.353 -12.777 1.00 52.35 ? 182 GLU E C 1 -ATOM 5824 O O . GLU E 5 179 ? -15.528 20.838 -13.671 1.00 51.14 ? 182 GLU E O 1 -ATOM 5825 C CB . GLU E 5 179 ? -15.390 23.715 -13.542 1.00 57.39 ? 182 GLU E CB 1 -ATOM 5826 C CG . GLU E 5 179 ? -14.158 24.139 -14.312 1.00 59.98 ? 182 GLU E CG 1 -ATOM 5827 C CD . GLU E 5 179 ? -14.449 25.056 -15.496 1.00 59.09 ? 182 GLU E CD 1 -ATOM 5828 O OE1 . GLU E 5 179 ? -15.122 26.104 -15.331 1.00 55.68 ? 182 GLU E OE1 1 -ATOM 5829 O OE2 . GLU E 5 179 ? -13.963 24.730 -16.598 1.00 55.60 ? 182 GLU E OE2 1 -ATOM 5830 N N . GLN E 5 180 ? -13.900 20.701 -12.141 1.00 52.64 ? 183 GLN E N 1 -ATOM 5831 C CA . GLN E 5 180 ? -13.562 19.309 -12.413 1.00 53.65 ? 183 GLN E CA 1 -ATOM 5832 C C . GLN E 5 180 ? -12.830 18.890 -11.142 1.00 55.92 ? 183 GLN E C 1 -ATOM 5833 O O . GLN E 5 180 ? -11.618 18.737 -11.148 1.00 58.86 ? 183 GLN E O 1 -ATOM 5834 C CB . GLN E 5 180 ? -12.630 19.213 -13.623 1.00 60.24 ? 183 GLN E CB 1 -ATOM 5835 C CG . GLN E 5 180 ? -13.270 19.544 -14.987 1.00 70.83 ? 183 GLN E CG 1 -ATOM 5836 C CD . GLN E 5 180 ? -14.247 18.473 -15.461 1.00 76.49 ? 183 GLN E CD 1 -ATOM 5837 O OE1 . GLN E 5 180 ? -14.011 17.283 -15.270 1.00 81.95 ? 183 GLN E OE1 1 -ATOM 5838 N NE2 . GLN E 5 180 ? -15.347 18.891 -16.076 1.00 77.50 ? 183 GLN E NE2 1 -ATOM 5839 N N . PRO E 5 181 ? -13.570 18.714 -10.026 1.00 58.00 ? 184 PRO E N 1 -ATOM 5840 C CA . PRO E 5 181 ? -13.092 18.330 -8.686 1.00 58.74 ? 184 PRO E CA 1 -ATOM 5841 C C . PRO E 5 181 ? -12.156 17.129 -8.565 1.00 61.20 ? 184 PRO E C 1 -ATOM 5842 O O . PRO E 5 181 ? -11.374 17.041 -7.622 1.00 61.02 ? 184 PRO E O 1 -ATOM 5843 C CB . PRO E 5 181 ? -14.390 18.094 -7.913 1.00 57.92 ? 184 PRO E CB 1 -ATOM 5844 C CG . PRO E 5 181 ? -15.350 19.010 -8.580 1.00 59.13 ? 184 PRO E CG 1 -ATOM 5845 C CD . PRO E 5 181 ? -15.042 18.772 -10.035 1.00 59.78 ? 184 PRO E CD 1 -ATOM 5846 N N . ALA E 5 182 ? -12.260 16.186 -9.490 1.00 62.89 ? 185 ALA E N 1 -ATOM 5847 C CA . ALA E 5 182 ? -11.402 15.008 -9.459 1.00 63.45 ? 185 ALA E CA 1 -ATOM 5848 C C . ALA E 5 182 ? -9.984 15.307 -9.965 1.00 63.48 ? 185 ALA E C 1 -ATOM 5849 O O . ALA E 5 182 ? -9.040 14.560 -9.699 1.00 63.27 ? 185 ALA E O 1 -ATOM 5850 C CB . ALA E 5 182 ? -12.031 13.909 -10.296 1.00 66.02 ? 185 ALA E CB 1 -ATOM 5851 N N . LEU E 5 183 ? -9.829 16.430 -10.652 1.00 62.90 ? 186 LEU E N 1 -ATOM 5852 C CA . LEU E 5 183 ? -8.550 16.775 -11.233 1.00 64.60 ? 186 LEU E CA 1 -ATOM 5853 C C . LEU E 5 183 ? -7.711 17.735 -10.444 1.00 65.29 ? 186 LEU E C 1 -ATOM 5854 O O . LEU E 5 183 ? -8.196 18.719 -9.893 1.00 62.16 ? 186 LEU E O 1 -ATOM 5855 C CB . LEU E 5 183 ? -8.756 17.314 -12.640 1.00 69.15 ? 186 LEU E CB 1 -ATOM 5856 C CG . LEU E 5 183 ? -9.684 16.411 -13.453 1.00 76.10 ? 186 LEU E CG 1 -ATOM 5857 C CD1 . LEU E 5 183 ? -9.944 17.038 -14.806 1.00 81.95 ? 186 LEU E CD1 1 -ATOM 5858 C CD2 . LEU E 5 183 ? -9.092 15.007 -13.592 1.00 79.47 ? 186 LEU E CD2 1 -ATOM 5859 N N . ASN E 5 184 ? -6.422 17.446 -10.445 1.00 70.87 ? 187 ASN E N 1 -ATOM 5860 C CA . ASN E 5 184 ? -5.431 18.251 -9.756 1.00 76.99 ? 187 ASN E CA 1 -ATOM 5861 C C . ASN E 5 184 ? -5.375 19.604 -10.445 1.00 74.14 ? 187 ASN E C 1 -ATOM 5862 O O . ASN E 5 184 ? -5.589 20.644 -9.819 1.00 73.88 ? 187 ASN E O 1 -ATOM 5863 C CB . ASN E 5 184 ? -4.065 17.572 -9.859 1.00 87.27 ? 187 ASN E CB 1 -ATOM 5864 C CG . ASN E 5 184 ? -4.136 16.087 -9.581 1.00 95.12 ? 187 ASN E CG 1 -ATOM 5865 O OD1 . ASN E 5 184 ? -4.210 15.273 -10.506 1.00 99.74 ? 187 ASN E OD1 1 -ATOM 5866 N ND2 . ASN E 5 184 ? -4.154 15.726 -8.304 1.00 100.00 ? 187 ASN E ND2 1 -ATOM 5867 N N . ASP E 5 185 ? -5.061 19.572 -11.737 1.00 70.33 ? 188 ASP E N 1 -ATOM 5868 C CA . ASP E 5 185 ? -4.983 20.779 -12.546 1.00 67.35 ? 188 ASP E CA 1 -ATOM 5869 C C . ASP E 5 185 ? -6.411 21.018 -13.007 1.00 63.26 ? 188 ASP E C 1 -ATOM 5870 O O . ASP E 5 185 ? -6.801 20.590 -14.092 1.00 71.12 ? 188 ASP E O 1 -ATOM 5871 C CB . ASP E 5 185 ? -4.063 20.549 -13.742 1.00 73.02 ? 188 ASP E CB 1 -ATOM 5872 N N . SER E 5 186 ? -7.201 21.657 -12.158 1.00 55.16 ? 189 SER E N 1 -ATOM 5873 C CA . SER E 5 186 ? -8.595 21.909 -12.474 1.00 43.45 ? 189 SER E CA 1 -ATOM 5874 C C . SER E 5 186 ? -8.792 23.342 -12.871 1.00 39.88 ? 189 SER E C 1 -ATOM 5875 O O . SER E 5 186 ? -8.040 24.214 -12.479 1.00 41.75 ? 189 SER E O 1 -ATOM 5876 C CB . SER E 5 186 ? -9.494 21.587 -11.280 1.00 41.05 ? 189 SER E CB 1 -ATOM 5877 O OG . SER E 5 186 ? -10.872 21.735 -11.597 1.00 37.47 ? 189 SER E OG 1 -ATOM 5878 N N . ARG E 5 187 ? -9.840 23.568 -13.644 1.00 42.12 ? 190 ARG E N 1 -ATOM 5879 C CA . ARG E 5 187 ? -10.192 24.893 -14.111 1.00 40.34 ? 190 ARG E CA 1 -ATOM 5880 C C . ARG E 5 187 ? -11.206 25.435 -13.101 1.00 38.51 ? 190 ARG E C 1 -ATOM 5881 O O . ARG E 5 187 ? -11.945 24.670 -12.469 1.00 40.37 ? 190 ARG E O 1 -ATOM 5882 C CB . ARG E 5 187 ? -10.796 24.822 -15.530 1.00 44.44 ? 190 ARG E CB 1 -ATOM 5883 N N . TYR E 5 188 ? -11.257 26.753 -12.980 1.00 32.83 ? 191 TYR E N 1 -ATOM 5884 C CA . TYR E 5 188 ? -12.140 27.409 -12.046 1.00 28.54 ? 191 TYR E CA 1 -ATOM 5885 C C . TYR E 5 188 ? -13.195 28.199 -12.777 1.00 30.92 ? 191 TYR E C 1 -ATOM 5886 O O . TYR E 5 188 ? -13.076 28.469 -13.974 1.00 30.70 ? 191 TYR E O 1 -ATOM 5887 C CB . TYR E 5 188 ? -11.326 28.327 -11.142 1.00 24.83 ? 191 TYR E CB 1 -ATOM 5888 C CG . TYR E 5 188 ? -10.408 27.571 -10.223 1.00 24.85 ? 191 TYR E CG 1 -ATOM 5889 C CD1 . TYR E 5 188 ? -10.859 27.129 -8.979 1.00 26.83 ? 191 TYR E CD1 1 -ATOM 5890 C CD2 . TYR E 5 188 ? -9.112 27.233 -10.616 1.00 21.89 ? 191 TYR E CD2 1 -ATOM 5891 C CE1 . TYR E 5 188 ? -10.049 26.363 -8.151 1.00 28.97 ? 191 TYR E CE1 1 -ATOM 5892 C CE2 . TYR E 5 188 ? -8.293 26.465 -9.799 1.00 25.07 ? 191 TYR E CE2 1 -ATOM 5893 C CZ . TYR E 5 188 ? -8.773 26.034 -8.562 1.00 29.25 ? 191 TYR E CZ 1 -ATOM 5894 O OH . TYR E 5 188 ? -7.979 25.292 -7.723 1.00 35.74 ? 191 TYR E OH 1 -ATOM 5895 N N . ALA E 5 189 ? -14.245 28.538 -12.047 1.00 33.73 ? 192 ALA E N 1 -ATOM 5896 C CA . ALA E 5 189 ? -15.358 29.306 -12.573 1.00 37.45 ? 192 ALA E CA 1 -ATOM 5897 C C . ALA E 5 189 ? -15.744 30.315 -11.507 1.00 38.25 ? 192 ALA E C 1 -ATOM 5898 O O . ALA E 5 189 ? -15.584 30.061 -10.317 1.00 42.58 ? 192 ALA E O 1 -ATOM 5899 C CB . ALA E 5 189 ? -16.530 28.384 -12.878 1.00 38.21 ? 192 ALA E CB 1 -ATOM 5900 N N . LEU E 5 190 ? -16.276 31.450 -11.924 1.00 37.50 ? 193 LEU E N 1 -ATOM 5901 C CA . LEU E 5 190 ? -16.670 32.485 -10.984 1.00 35.58 ? 193 LEU E CA 1 -ATOM 5902 C C . LEU E 5 190 ? -17.875 33.190 -11.554 1.00 37.31 ? 193 LEU E C 1 -ATOM 5903 O O . LEU E 5 190 ? -17.945 33.425 -12.757 1.00 44.49 ? 193 LEU E O 1 -ATOM 5904 C CB . LEU E 5 190 ? -15.548 33.504 -10.804 1.00 34.35 ? 193 LEU E CB 1 -ATOM 5905 C CG . LEU E 5 190 ? -15.787 34.613 -9.769 1.00 31.52 ? 193 LEU E CG 1 -ATOM 5906 C CD1 . LEU E 5 190 ? -15.653 34.054 -8.371 1.00 33.61 ? 193 LEU E CD1 1 -ATOM 5907 C CD2 . LEU E 5 190 ? -14.765 35.708 -9.957 1.00 34.41 ? 193 LEU E CD2 1 -ATOM 5908 N N . SER E 5 191 ? -18.828 33.514 -10.696 1.00 33.61 ? 194 SER E N 1 -ATOM 5909 C CA . SER E 5 191 ? -20.016 34.213 -11.131 1.00 32.14 ? 194 SER E CA 1 -ATOM 5910 C C . SER E 5 191 ? -20.193 35.434 -10.256 1.00 28.92 ? 194 SER E C 1 -ATOM 5911 O O . SER E 5 191 ? -19.608 35.527 -9.180 1.00 32.08 ? 194 SER E O 1 -ATOM 5912 C CB . SER E 5 191 ? -21.253 33.312 -11.084 1.00 34.96 ? 194 SER E CB 1 -ATOM 5913 O OG . SER E 5 191 ? -21.406 32.710 -9.820 1.00 44.02 ? 194 SER E OG 1 -ATOM 5914 N N . SER E 5 192 ? -20.977 36.385 -10.739 1.00 26.26 ? 195 SER E N 1 -ATOM 5915 C CA . SER E 5 192 ? -21.207 37.610 -10.016 1.00 21.80 ? 195 SER E CA 1 -ATOM 5916 C C . SER E 5 192 ? -22.517 38.182 -10.490 1.00 20.02 ? 195 SER E C 1 -ATOM 5917 O O . SER E 5 192 ? -22.957 37.901 -11.594 1.00 22.95 ? 195 SER E O 1 -ATOM 5918 C CB . SER E 5 192 ? -20.075 38.587 -10.296 1.00 26.65 ? 195 SER E CB 1 -ATOM 5919 O OG . SER E 5 192 ? -20.195 39.754 -9.505 1.00 41.43 ? 195 SER E OG 1 -ATOM 5920 N N . ARG E 5 193 ? -23.125 39.011 -9.665 1.00 18.97 ? 196 ARG E N 1 -ATOM 5921 C CA . ARG E 5 193 ? -24.388 39.596 -10.000 1.00 20.14 ? 196 ARG E CA 1 -ATOM 5922 C C . ARG E 5 193 ? -24.316 41.096 -9.912 1.00 25.33 ? 196 ARG E C 1 -ATOM 5923 O O . ARG E 5 193 ? -23.500 41.638 -9.177 1.00 26.17 ? 196 ARG E O 1 -ATOM 5924 C CB . ARG E 5 193 ? -25.469 39.085 -9.048 1.00 18.43 ? 196 ARG E CB 1 -ATOM 5925 C CG . ARG E 5 193 ? -26.215 37.870 -9.569 1.00 20.40 ? 196 ARG E CG 1 -ATOM 5926 C CD . ARG E 5 193 ? -26.004 36.644 -8.695 1.00 26.04 ? 196 ARG E CD 1 -ATOM 5927 N NE . ARG E 5 193 ? -24.651 36.112 -8.794 1.00 24.07 ? 196 ARG E NE 1 -ATOM 5928 C CZ . ARG E 5 193 ? -24.003 35.548 -7.783 1.00 30.34 ? 196 ARG E CZ 1 -ATOM 5929 N NH1 . ARG E 5 193 ? -24.583 35.430 -6.589 1.00 32.87 ? 196 ARG E NH1 1 -ATOM 5930 N NH2 . ARG E 5 193 ? -22.747 35.162 -7.945 1.00 36.68 ? 196 ARG E NH2 1 -ATOM 5931 N N . LEU E 5 194 ? -25.129 41.752 -10.735 1.00 26.70 ? 197 LEU E N 1 -ATOM 5932 C CA . LEU E 5 194 ? -25.258 43.200 -10.746 1.00 24.10 ? 197 LEU E CA 1 -ATOM 5933 C C . LEU E 5 194 ? -26.750 43.434 -10.910 1.00 22.93 ? 197 LEU E C 1 -ATOM 5934 O O . LEU E 5 194 ? -27.346 43.017 -11.902 1.00 24.58 ? 197 LEU E O 1 -ATOM 5935 C CB . LEU E 5 194 ? -24.488 43.836 -11.893 1.00 22.46 ? 197 LEU E CB 1 -ATOM 5936 C CG . LEU E 5 194 ? -24.678 45.354 -11.961 1.00 27.21 ? 197 LEU E CG 1 -ATOM 5937 C CD1 . LEU E 5 194 ? -24.256 46.007 -10.655 1.00 26.15 ? 197 LEU E CD1 1 -ATOM 5938 C CD2 . LEU E 5 194 ? -23.880 45.931 -13.123 1.00 30.24 ? 197 LEU E CD2 1 -ATOM 5939 N N . ARG E 5 195 ? -27.369 43.976 -9.872 1.00 25.52 ? 198 ARG E N 1 -ATOM 5940 C CA . ARG E 5 195 ? -28.798 44.239 -9.899 1.00 28.44 ? 198 ARG E CA 1 -ATOM 5941 C C . ARG E 5 195 ? -29.015 45.732 -10.046 1.00 30.53 ? 198 ARG E C 1 -ATOM 5942 O O . ARG E 5 195 ? -28.384 46.544 -9.367 1.00 28.74 ? 198 ARG E O 1 -ATOM 5943 C CB . ARG E 5 195 ? -29.467 43.741 -8.616 1.00 29.37 ? 198 ARG E CB 1 -ATOM 5944 C CG . ARG E 5 195 ? -30.998 43.762 -8.628 1.00 28.61 ? 198 ARG E CG 1 -ATOM 5945 C CD . ARG E 5 195 ? -31.602 42.348 -8.662 1.00 32.86 ? 198 ARG E CD 1 -ATOM 5946 N NE . ARG E 5 195 ? -32.472 42.065 -7.508 1.00 39.44 ? 198 ARG E NE 1 -ATOM 5947 C CZ . ARG E 5 195 ? -33.571 41.310 -7.536 1.00 35.07 ? 198 ARG E CZ 1 -ATOM 5948 N NH1 . ARG E 5 195 ? -33.988 40.730 -8.649 1.00 38.71 ? 198 ARG E NH1 1 -ATOM 5949 N NH2 . ARG E 5 195 ? -34.287 41.169 -6.448 1.00 41.58 ? 198 ARG E NH2 1 -ATOM 5950 N N . VAL E 5 196 ? -29.898 46.087 -10.963 1.00 29.04 ? 199 VAL E N 1 -ATOM 5951 C CA . VAL E 5 196 ? -30.224 47.476 -11.216 1.00 27.71 ? 199 VAL E CA 1 -ATOM 5952 C C . VAL E 5 196 ? -31.736 47.482 -11.316 1.00 31.55 ? 199 VAL E C 1 -ATOM 5953 O O . VAL E 5 196 ? -32.363 46.424 -11.240 1.00 30.87 ? 199 VAL E O 1 -ATOM 5954 C CB . VAL E 5 196 ? -29.597 47.974 -12.544 1.00 26.40 ? 199 VAL E CB 1 -ATOM 5955 C CG1 . VAL E 5 196 ? -28.083 48.080 -12.408 1.00 18.93 ? 199 VAL E CG1 1 -ATOM 5956 C CG2 . VAL E 5 196 ? -29.926 47.021 -13.672 1.00 23.57 ? 199 VAL E CG2 1 -ATOM 5957 N N . SER E 5 197 ? -32.332 48.660 -11.429 1.00 33.67 ? 200 SER E N 1 -ATOM 5958 C CA . SER E 5 197 ? -33.776 48.741 -11.553 1.00 33.19 ? 200 SER E CA 1 -ATOM 5959 C C . SER E 5 197 ? -34.115 48.396 -13.003 1.00 35.54 ? 200 SER E C 1 -ATOM 5960 O O . SER E 5 197 ? -33.242 48.478 -13.875 1.00 39.85 ? 200 SER E O 1 -ATOM 5961 C CB . SER E 5 197 ? -34.248 50.155 -11.199 1.00 37.05 ? 200 SER E CB 1 -ATOM 5962 O OG . SER E 5 197 ? -33.464 51.145 -11.856 1.00 52.55 ? 200 SER E OG 1 -ATOM 5963 N N . ALA E 5 198 ? -35.359 47.991 -13.261 1.00 34.81 ? 201 ALA E N 1 -ATOM 5964 C CA . ALA E 5 198 ? -35.801 47.652 -14.615 1.00 31.22 ? 201 ALA E CA 1 -ATOM 5965 C C . ALA E 5 198 ? -35.640 48.896 -15.472 1.00 32.44 ? 201 ALA E C 1 -ATOM 5966 O O . ALA E 5 198 ? -35.156 48.842 -16.594 1.00 37.99 ? 201 ALA E O 1 -ATOM 5967 C CB . ALA E 5 198 ? -37.247 47.210 -14.602 1.00 29.94 ? 201 ALA E CB 1 -ATOM 5968 N N . THR E 5 199 ? -36.044 50.020 -14.906 1.00 38.28 ? 202 THR E N 1 -ATOM 5969 C CA . THR E 5 199 ? -35.941 51.322 -15.540 1.00 42.37 ? 202 THR E CA 1 -ATOM 5970 C C . THR E 5 199 ? -34.542 51.539 -16.106 1.00 43.35 ? 202 THR E C 1 -ATOM 5971 O O . THR E 5 199 ? -34.381 51.947 -17.256 1.00 50.81 ? 202 THR E O 1 -ATOM 5972 C CB . THR E 5 199 ? -36.210 52.414 -14.495 1.00 43.87 ? 202 THR E CB 1 -ATOM 5973 O OG1 . THR E 5 199 ? -37.616 52.527 -14.283 1.00 49.48 ? 202 THR E OG1 1 -ATOM 5974 C CG2 . THR E 5 199 ? -35.620 53.748 -14.904 1.00 45.96 ? 202 THR E CG2 1 -ATOM 5975 N N . PHE E 5 200 ? -33.538 51.232 -15.297 1.00 40.00 ? 203 PHE E N 1 -ATOM 5976 C CA . PHE E 5 200 ? -32.152 51.421 -15.680 1.00 34.91 ? 203 PHE E CA 1 -ATOM 5977 C C . PHE E 5 200 ? -31.689 50.490 -16.788 1.00 34.25 ? 203 PHE E C 1 -ATOM 5978 O O . PHE E 5 200 ? -30.891 50.885 -17.645 1.00 35.13 ? 203 PHE E O 1 -ATOM 5979 C CB . PHE E 5 200 ? -31.267 51.255 -14.454 1.00 31.85 ? 203 PHE E CB 1 -ATOM 5980 C CG . PHE E 5 200 ? -29.889 51.805 -14.626 1.00 34.22 ? 203 PHE E CG 1 -ATOM 5981 C CD1 . PHE E 5 200 ? -28.886 51.038 -15.216 1.00 33.65 ? 203 PHE E CD1 1 -ATOM 5982 C CD2 . PHE E 5 200 ? -29.582 53.088 -14.184 1.00 32.38 ? 203 PHE E CD2 1 -ATOM 5983 C CE1 . PHE E 5 200 ? -27.591 51.543 -15.367 1.00 37.13 ? 203 PHE E CE1 1 -ATOM 5984 C CE2 . PHE E 5 200 ? -28.290 53.603 -14.329 1.00 35.98 ? 203 PHE E CE2 1 -ATOM 5985 C CZ . PHE E 5 200 ? -27.292 52.826 -14.921 1.00 32.94 ? 203 PHE E CZ 1 -ATOM 5986 N N . TRP E 5 201 ? -32.177 49.256 -16.766 1.00 32.31 ? 204 TRP E N 1 -ATOM 5987 C CA . TRP E 5 201 ? -31.791 48.269 -17.767 1.00 30.34 ? 204 TRP E CA 1 -ATOM 5988 C C . TRP E 5 201 ? -32.470 48.552 -19.096 1.00 30.84 ? 204 TRP E C 1 -ATOM 5989 O O . TRP E 5 201 ? -31.868 48.394 -20.158 1.00 32.33 ? 204 TRP E O 1 -ATOM 5990 C CB . TRP E 5 201 ? -32.115 46.856 -17.268 1.00 22.11 ? 204 TRP E CB 1 -ATOM 5991 C CG . TRP E 5 201 ? -32.192 45.840 -18.342 1.00 24.56 ? 204 TRP E CG 1 -ATOM 5992 C CD1 . TRP E 5 201 ? -33.333 45.257 -18.841 1.00 27.25 ? 204 TRP E CD1 1 -ATOM 5993 C CD2 . TRP E 5 201 ? -31.103 45.296 -19.097 1.00 21.52 ? 204 TRP E CD2 1 -ATOM 5994 N NE1 . TRP E 5 201 ? -33.017 44.389 -19.868 1.00 23.72 ? 204 TRP E NE1 1 -ATOM 5995 C CE2 . TRP E 5 201 ? -31.657 44.390 -20.044 1.00 20.00 ? 204 TRP E CE2 1 -ATOM 5996 C CE3 . TRP E 5 201 ? -29.717 45.485 -19.074 1.00 22.12 ? 204 TRP E CE3 1 -ATOM 5997 C CZ2 . TRP E 5 201 ? -30.868 43.676 -20.954 1.00 14.66 ? 204 TRP E CZ2 1 -ATOM 5998 C CZ3 . TRP E 5 201 ? -28.930 44.773 -19.988 1.00 17.34 ? 204 TRP E CZ3 1 -ATOM 5999 C CH2 . TRP E 5 201 ? -29.511 43.882 -20.911 1.00 13.16 ? 204 TRP E CH2 1 -ATOM 6000 N N . GLN E 5 202 ? -33.713 49.012 -19.026 1.00 34.11 ? 205 GLN E N 1 -ATOM 6001 C CA . GLN E 5 202 ? -34.493 49.319 -20.216 1.00 38.84 ? 205 GLN E CA 1 -ATOM 6002 C C . GLN E 5 202 ? -34.066 50.609 -20.946 1.00 43.20 ? 205 GLN E C 1 -ATOM 6003 O O . GLN E 5 202 ? -34.697 51.018 -21.928 1.00 44.25 ? 205 GLN E O 1 -ATOM 6004 C CB . GLN E 5 202 ? -35.967 49.401 -19.846 1.00 40.72 ? 205 GLN E CB 1 -ATOM 6005 C CG . GLN E 5 202 ? -36.548 48.137 -19.255 1.00 38.39 ? 205 GLN E CG 1 -ATOM 6006 C CD . GLN E 5 202 ? -37.944 48.365 -18.705 1.00 42.62 ? 205 GLN E CD 1 -ATOM 6007 O OE1 . GLN E 5 202 ? -38.480 49.478 -18.765 1.00 44.01 ? 205 GLN E OE1 1 -ATOM 6008 N NE2 . GLN E 5 202 ? -38.542 47.314 -18.161 1.00 41.65 ? 205 GLN E NE2 1 -ATOM 6009 N N . ASP E 5 203 ? -33.016 51.261 -20.458 1.00 47.86 ? 206 ASP E N 1 -ATOM 6010 C CA . ASP E 5 203 ? -32.513 52.492 -21.071 1.00 48.86 ? 206 ASP E CA 1 -ATOM 6011 C C . ASP E 5 203 ? -31.305 52.113 -21.952 1.00 45.19 ? 206 ASP E C 1 -ATOM 6012 O O . ASP E 5 203 ? -30.200 51.893 -21.450 1.00 45.74 ? 206 ASP E O 1 -ATOM 6013 C CB . ASP E 5 203 ? -32.108 53.483 -19.974 1.00 50.57 ? 206 ASP E CB 1 -ATOM 6014 C CG . ASP E 5 203 ? -32.173 54.936 -20.428 1.00 56.89 ? 206 ASP E CG 1 -ATOM 6015 O OD1 . ASP E 5 203 ? -32.192 55.210 -21.650 1.00 64.80 ? 206 ASP E OD1 1 -ATOM 6016 O OD2 . ASP E 5 203 ? -32.195 55.815 -19.542 1.00 62.15 ? 206 ASP E OD2 1 -ATOM 6017 N N . PRO E 5 204 ? -31.482 52.118 -23.282 1.00 41.60 ? 207 PRO E N 1 -ATOM 6018 C CA . PRO E 5 204 ? -30.432 51.765 -24.250 1.00 42.10 ? 207 PRO E CA 1 -ATOM 6019 C C . PRO E 5 204 ? -29.114 52.535 -24.124 1.00 41.30 ? 207 PRO E C 1 -ATOM 6020 O O . PRO E 5 204 ? -28.095 52.151 -24.719 1.00 40.77 ? 207 PRO E O 1 -ATOM 6021 C CB . PRO E 5 204 ? -31.115 52.009 -25.596 1.00 44.41 ? 207 PRO E CB 1 -ATOM 6022 C CG . PRO E 5 204 ? -32.581 51.843 -25.281 1.00 40.61 ? 207 PRO E CG 1 -ATOM 6023 C CD . PRO E 5 204 ? -32.691 52.581 -23.982 1.00 38.36 ? 207 PRO E CD 1 -ATOM 6024 N N . ARG E 5 205 ? -29.156 53.627 -23.367 1.00 39.13 ? 208 ARG E N 1 -ATOM 6025 C CA . ARG E 5 205 ? -27.989 54.467 -23.130 1.00 44.38 ? 208 ARG E CA 1 -ATOM 6026 C C . ARG E 5 205 ? -27.002 53.818 -22.175 1.00 43.01 ? 208 ARG E C 1 -ATOM 6027 O O . ARG E 5 205 ? -25.841 54.211 -22.124 1.00 46.64 ? 208 ARG E O 1 -ATOM 6028 C CB . ARG E 5 205 ? -28.408 55.804 -22.516 1.00 43.12 ? 208 ARG E CB 1 -ATOM 6029 C CG . ARG E 5 205 ? -29.148 56.720 -23.440 1.00 41.22 ? 208 ARG E CG 1 -ATOM 6030 C CD . ARG E 5 205 ? -29.581 57.937 -22.691 1.00 43.62 ? 208 ARG E CD 1 -ATOM 6031 N NE . ARG E 5 205 ? -31.017 58.123 -22.818 1.00 52.36 ? 208 ARG E NE 1 -ATOM 6032 C CZ . ARG E 5 205 ? -31.693 59.124 -22.276 1.00 52.86 ? 208 ARG E CZ 1 -ATOM 6033 N NH1 . ARG E 5 205 ? -31.071 60.041 -21.547 1.00 46.90 ? 208 ARG E NH1 1 -ATOM 6034 N NH2 . ARG E 5 205 ? -32.990 59.237 -22.525 1.00 61.60 ? 208 ARG E NH2 1 -ATOM 6035 N N . ASN E 5 206 ? -27.485 52.874 -21.375 1.00 38.95 ? 209 ASN E N 1 -ATOM 6036 C CA . ASN E 5 206 ? -26.639 52.212 -20.402 1.00 32.04 ? 209 ASN E CA 1 -ATOM 6037 C C . ASN E 5 206 ? -25.965 50.972 -20.947 1.00 28.21 ? 209 ASN E C 1 -ATOM 6038 O O . ASN E 5 206 ? -26.602 50.103 -21.543 1.00 27.76 ? 209 ASN E O 1 -ATOM 6039 C CB . ASN E 5 206 ? -27.438 51.904 -19.140 1.00 37.06 ? 209 ASN E CB 1 -ATOM 6040 C CG . ASN E 5 206 ? -27.935 53.164 -18.449 1.00 36.23 ? 209 ASN E CG 1 -ATOM 6041 O OD1 . ASN E 5 206 ? -27.161 54.092 -18.165 1.00 35.67 ? 209 ASN E OD1 1 -ATOM 6042 N ND2 . ASN E 5 206 ? -29.230 53.208 -18.179 1.00 28.46 ? 209 ASN E ND2 1 -ATOM 6043 N N . HIS E 5 207 ? -24.659 50.906 -20.733 1.00 24.68 ? 210 HIS E N 1 -ATOM 6044 C CA . HIS E 5 207 ? -23.824 49.812 -21.197 1.00 24.28 ? 210 HIS E CA 1 -ATOM 6045 C C . HIS E 5 207 ? -23.269 49.177 -19.934 1.00 25.32 ? 210 HIS E C 1 -ATOM 6046 O O . HIS E 5 207 ? -22.764 49.874 -19.051 1.00 23.34 ? 210 HIS E O 1 -ATOM 6047 C CB . HIS E 5 207 ? -22.697 50.398 -22.075 1.00 25.68 ? 210 HIS E CB 1 -ATOM 6048 C CG . HIS E 5 207 ? -21.698 49.398 -22.583 1.00 24.37 ? 210 HIS E CG 1 -ATOM 6049 N ND1 . HIS E 5 207 ? -20.356 49.463 -22.269 1.00 29.16 ? 210 HIS E ND1 1 -ATOM 6050 C CD2 . HIS E 5 207 ? -21.831 48.349 -23.431 1.00 23.91 ? 210 HIS E CD2 1 -ATOM 6051 C CE1 . HIS E 5 207 ? -19.705 48.502 -22.901 1.00 26.81 ? 210 HIS E CE1 1 -ATOM 6052 N NE2 . HIS E 5 207 ? -20.578 47.812 -23.615 1.00 27.53 ? 210 HIS E NE2 1 -ATOM 6053 N N . PHE E 5 208 ? -23.395 47.861 -19.841 1.00 24.94 ? 211 PHE E N 1 -ATOM 6054 C CA . PHE E 5 208 ? -22.920 47.126 -18.677 1.00 24.22 ? 211 PHE E CA 1 -ATOM 6055 C C . PHE E 5 208 ? -21.784 46.229 -19.120 1.00 26.66 ? 211 PHE E C 1 -ATOM 6056 O O . PHE E 5 208 ? -21.853 45.600 -20.179 1.00 19.47 ? 211 PHE E O 1 -ATOM 6057 C CB . PHE E 5 208 ? -24.053 46.296 -18.085 1.00 20.34 ? 211 PHE E CB 1 -ATOM 6058 C CG . PHE E 5 208 ? -25.344 47.054 -17.950 1.00 19.11 ? 211 PHE E CG 1 -ATOM 6059 C CD1 . PHE E 5 208 ? -26.192 47.210 -19.042 1.00 21.19 ? 211 PHE E CD1 1 -ATOM 6060 C CD2 . PHE E 5 208 ? -25.697 47.642 -16.747 1.00 13.95 ? 211 PHE E CD2 1 -ATOM 6061 C CE1 . PHE E 5 208 ? -27.371 47.949 -18.927 1.00 22.86 ? 211 PHE E CE1 1 -ATOM 6062 C CE2 . PHE E 5 208 ? -26.875 48.380 -16.624 1.00 12.91 ? 211 PHE E CE2 1 -ATOM 6063 C CZ . PHE E 5 208 ? -27.709 48.536 -17.710 1.00 17.35 ? 211 PHE E CZ 1 -ATOM 6064 N N . ARG E 5 209 ? -20.739 46.164 -18.305 1.00 28.52 ? 212 ARG E N 1 -ATOM 6065 C CA . ARG E 5 209 ? -19.589 45.365 -18.652 1.00 27.38 ? 212 ARG E CA 1 -ATOM 6066 C C . ARG E 5 209 ? -18.942 44.651 -17.501 1.00 25.24 ? 212 ARG E C 1 -ATOM 6067 O O . ARG E 5 209 ? -18.438 45.267 -16.581 1.00 26.88 ? 212 ARG E O 1 -ATOM 6068 C CB . ARG E 5 209 ? -18.534 46.224 -19.332 1.00 29.35 ? 212 ARG E CB 1 -ATOM 6069 C CG . ARG E 5 209 ? -17.316 45.430 -19.745 1.00 26.65 ? 212 ARG E CG 1 -ATOM 6070 C CD . ARG E 5 209 ? -16.331 46.298 -20.470 1.00 27.39 ? 212 ARG E CD 1 -ATOM 6071 N NE . ARG E 5 209 ? -15.062 46.349 -19.763 1.00 27.70 ? 212 ARG E NE 1 -ATOM 6072 C CZ . ARG E 5 209 ? -14.539 47.463 -19.273 1.00 27.99 ? 212 ARG E CZ 1 -ATOM 6073 N NH1 . ARG E 5 209 ? -15.179 48.613 -19.431 1.00 24.47 ? 212 ARG E NH1 1 -ATOM 6074 N NH2 . ARG E 5 209 ? -13.404 47.415 -18.591 1.00 29.20 ? 212 ARG E NH2 1 -ATOM 6075 N N . CYS E 5 210 ? -18.900 43.336 -17.615 1.00 25.75 ? 213 CYS E N 1 -ATOM 6076 C CA . CYS E 5 210 ? -18.273 42.507 -16.623 1.00 29.15 ? 213 CYS E CA 1 -ATOM 6077 C C . CYS E 5 210 ? -16.848 42.334 -17.058 1.00 28.16 ? 213 CYS E C 1 -ATOM 6078 O O . CYS E 5 210 ? -16.595 41.824 -18.140 1.00 37.13 ? 213 CYS E O 1 -ATOM 6079 C CB . CYS E 5 210 ? -18.891 41.127 -16.567 1.00 30.85 ? 213 CYS E CB 1 -ATOM 6080 S SG . CYS E 5 210 ? -17.846 40.075 -15.526 1.00 45.75 ? 213 CYS E SG 1 -ATOM 6081 N N . GLN E 5 211 ? -15.920 42.738 -16.211 1.00 31.44 ? 214 GLN E N 1 -ATOM 6082 C CA . GLN E 5 211 ? -14.501 42.628 -16.510 1.00 29.38 ? 214 GLN E CA 1 -ATOM 6083 C C . GLN E 5 211 ? -13.855 41.650 -15.537 1.00 31.69 ? 214 GLN E C 1 -ATOM 6084 O O . GLN E 5 211 ? -14.170 41.656 -14.343 1.00 39.35 ? 214 GLN E O 1 -ATOM 6085 C CB . GLN E 5 211 ? -13.837 43.993 -16.358 1.00 22.82 ? 214 GLN E CB 1 -ATOM 6086 C CG . GLN E 5 211 ? -12.360 43.912 -16.325 1.00 18.36 ? 214 GLN E CG 1 -ATOM 6087 C CD . GLN E 5 211 ? -11.734 45.227 -15.999 1.00 30.13 ? 214 GLN E CD 1 -ATOM 6088 O OE1 . GLN E 5 211 ? -11.962 46.228 -16.677 1.00 30.29 ? 214 GLN E OE1 1 -ATOM 6089 N NE2 . GLN E 5 211 ? -10.930 45.243 -14.946 1.00 38.29 ? 214 GLN E NE2 1 -ATOM 6090 N N . VAL E 5 212 ? -12.940 40.826 -16.023 1.00 22.15 ? 215 VAL E N 1 -ATOM 6091 C CA . VAL E 5 212 ? -12.285 39.885 -15.139 1.00 19.72 ? 215 VAL E CA 1 -ATOM 6092 C C . VAL E 5 212 ? -10.814 39.959 -15.412 1.00 21.79 ? 215 VAL E C 1 -ATOM 6093 O O . VAL E 5 212 ? -10.401 39.817 -16.558 1.00 29.99 ? 215 VAL E O 1 -ATOM 6094 C CB . VAL E 5 212 ? -12.776 38.453 -15.385 1.00 18.46 ? 215 VAL E CB 1 -ATOM 6095 C CG1 . VAL E 5 212 ? -11.912 37.465 -14.650 1.00 11.56 ? 215 VAL E CG1 1 -ATOM 6096 C CG2 . VAL E 5 212 ? -14.206 38.322 -14.922 1.00 20.49 ? 215 VAL E CG2 1 -ATOM 6097 N N . GLN E 5 213 ? -10.016 40.297 -14.405 1.00 23.48 ? 216 GLN E N 1 -ATOM 6098 C CA . GLN E 5 213 ? -8.594 40.347 -14.656 1.00 18.95 ? 216 GLN E CA 1 -ATOM 6099 C C . GLN E 5 213 ? -7.948 39.070 -14.227 1.00 19.57 ? 216 GLN E C 1 -ATOM 6100 O O . GLN E 5 213 ? -8.108 38.634 -13.101 1.00 28.33 ? 216 GLN E O 1 -ATOM 6101 C CB . GLN E 5 213 ? -7.894 41.520 -14.018 1.00 17.92 ? 216 GLN E CB 1 -ATOM 6102 C CG . GLN E 5 213 ? -6.400 41.370 -14.259 1.00 28.94 ? 216 GLN E CG 1 -ATOM 6103 C CD . GLN E 5 213 ? -5.687 42.646 -14.578 1.00 31.19 ? 216 GLN E CD 1 -ATOM 6104 O OE1 . GLN E 5 213 ? -4.594 42.614 -15.143 1.00 41.87 ? 216 GLN E OE1 1 -ATOM 6105 N NE2 . GLN E 5 213 ? -6.261 43.780 -14.174 1.00 39.83 ? 216 GLN E NE2 1 -ATOM 6106 N N . PHE E 5 214 ? -7.234 38.474 -15.167 1.00 23.25 ? 217 PHE E N 1 -ATOM 6107 C CA . PHE E 5 214 ? -6.551 37.216 -14.982 1.00 20.42 ? 217 PHE E CA 1 -ATOM 6108 C C . PHE E 5 214 ? -5.068 37.444 -14.779 1.00 22.24 ? 217 PHE E C 1 -ATOM 6109 O O . PHE E 5 214 ? -4.456 38.287 -15.437 1.00 27.26 ? 217 PHE E O 1 -ATOM 6110 C CB . PHE E 5 214 ? -6.797 36.350 -16.220 1.00 25.71 ? 217 PHE E CB 1 -ATOM 6111 C CG . PHE E 5 214 ? -5.985 35.113 -16.260 1.00 23.24 ? 217 PHE E CG 1 -ATOM 6112 C CD1 . PHE E 5 214 ? -6.341 34.012 -15.488 1.00 24.98 ? 217 PHE E CD1 1 -ATOM 6113 C CD2 . PHE E 5 214 ? -4.833 35.059 -17.032 1.00 21.78 ? 217 PHE E CD2 1 -ATOM 6114 C CE1 . PHE E 5 214 ? -5.552 32.863 -15.481 1.00 28.62 ? 217 PHE E CE1 1 -ATOM 6115 C CE2 . PHE E 5 214 ? -4.037 33.919 -17.036 1.00 28.64 ? 217 PHE E CE2 1 -ATOM 6116 C CZ . PHE E 5 214 ? -4.393 32.816 -16.256 1.00 26.23 ? 217 PHE E CZ 1 -ATOM 6117 N N . TYR E 5 215 ? -4.499 36.718 -13.831 1.00 23.73 ? 218 TYR E N 1 -ATOM 6118 C CA . TYR E 5 215 ? -3.085 36.839 -13.545 1.00 24.77 ? 218 TYR E CA 1 -ATOM 6119 C C . TYR E 5 215 ? -2.460 35.528 -13.980 1.00 26.52 ? 218 TYR E C 1 -ATOM 6120 O O . TYR E 5 215 ? -2.729 34.477 -13.395 1.00 31.25 ? 218 TYR E O 1 -ATOM 6121 C CB . TYR E 5 215 ? -2.863 37.123 -12.050 1.00 24.94 ? 218 TYR E CB 1 -ATOM 6122 C CG . TYR E 5 215 ? -3.321 38.510 -11.609 1.00 17.17 ? 218 TYR E CG 1 -ATOM 6123 C CD1 . TYR E 5 215 ? -4.658 38.767 -11.294 1.00 15.28 ? 218 TYR E CD1 1 -ATOM 6124 C CD2 . TYR E 5 215 ? -2.415 39.565 -11.537 1.00 18.42 ? 218 TYR E CD2 1 -ATOM 6125 C CE1 . TYR E 5 215 ? -5.077 40.035 -10.918 1.00 17.77 ? 218 TYR E CE1 1 -ATOM 6126 C CE2 . TYR E 5 215 ? -2.821 40.836 -11.162 1.00 18.14 ? 218 TYR E CE2 1 -ATOM 6127 C CZ . TYR E 5 215 ? -4.149 41.064 -10.855 1.00 20.13 ? 218 TYR E CZ 1 -ATOM 6128 O OH . TYR E 5 215 ? -4.527 42.327 -10.466 1.00 26.11 ? 218 TYR E OH 1 -ATOM 6129 N N . GLY E 5 216 ? -1.632 35.603 -15.015 1.00 23.18 ? 219 GLY E N 1 -ATOM 6130 C CA . GLY E 5 216 ? -1.013 34.414 -15.562 1.00 24.76 ? 219 GLY E CA 1 -ATOM 6131 C C . GLY E 5 216 ? 0.475 34.543 -15.765 1.00 27.04 ? 219 GLY E C 1 -ATOM 6132 O O . GLY E 5 216 ? 1.159 35.028 -14.866 1.00 34.67 ? 219 GLY E O 1 -ATOM 6133 N N . LEU E 5 217 ? 0.974 34.135 -16.935 1.00 26.69 ? 220 LEU E N 1 -ATOM 6134 C CA . LEU E 5 217 ? 2.415 34.185 -17.223 1.00 25.70 ? 220 LEU E CA 1 -ATOM 6135 C C . LEU E 5 217 ? 2.978 35.581 -17.474 1.00 27.34 ? 220 LEU E C 1 -ATOM 6136 O O . LEU E 5 217 ? 2.256 36.521 -17.836 1.00 25.83 ? 220 LEU E O 1 -ATOM 6137 C CB . LEU E 5 217 ? 2.797 33.268 -18.379 1.00 18.57 ? 220 LEU E CB 1 -ATOM 6138 C CG . LEU E 5 217 ? 2.213 31.865 -18.430 1.00 21.08 ? 220 LEU E CG 1 -ATOM 6139 C CD1 . LEU E 5 217 ? 2.998 31.093 -19.475 1.00 20.87 ? 220 LEU E CD1 1 -ATOM 6140 C CD2 . LEU E 5 217 ? 2.310 31.187 -17.086 1.00 16.99 ? 220 LEU E CD2 1 -ATOM 6141 N N . SER E 5 218 ? 4.289 35.688 -17.306 1.00 33.19 ? 221 SER E N 1 -ATOM 6142 C CA . SER E 5 218 ? 4.987 36.948 -17.456 1.00 42.91 ? 221 SER E CA 1 -ATOM 6143 C C . SER E 5 218 ? 5.617 37.115 -18.815 1.00 48.69 ? 221 SER E C 1 -ATOM 6144 O O . SER E 5 218 ? 5.709 36.174 -19.610 1.00 43.97 ? 221 SER E O 1 -ATOM 6145 C CB . SER E 5 218 ? 6.079 37.089 -16.379 1.00 47.94 ? 221 SER E CB 1 -ATOM 6146 O OG . SER E 5 218 ? 7.169 36.208 -16.613 1.00 51.70 ? 221 SER E OG 1 -ATOM 6147 N N . GLU E 5 219 ? 6.151 38.313 -19.011 1.00 57.69 ? 222 GLU E N 1 -ATOM 6148 C CA . GLU E 5 219 ? 6.819 38.685 -20.246 1.00 65.30 ? 222 GLU E CA 1 -ATOM 6149 C C . GLU E 5 219 ? 8.147 37.929 -20.383 1.00 70.12 ? 222 GLU E C 1 -ATOM 6150 O O . GLU E 5 219 ? 8.835 38.059 -21.391 1.00 75.96 ? 222 GLU E O 1 -ATOM 6151 C CB . GLU E 5 219 ? 7.049 40.204 -20.281 1.00 62.47 ? 222 GLU E CB 1 -ATOM 6152 N N . ASN E 5 220 ? 8.512 37.156 -19.362 1.00 73.13 ? 223 ASN E N 1 -ATOM 6153 C CA . ASN E 5 220 ? 9.753 36.393 -19.397 1.00 74.60 ? 223 ASN E CA 1 -ATOM 6154 C C . ASN E 5 220 ? 9.515 34.884 -19.327 1.00 73.28 ? 223 ASN E C 1 -ATOM 6155 O O . ASN E 5 220 ? 10.399 34.103 -19.679 1.00 73.09 ? 223 ASN E O 1 -ATOM 6156 C CB . ASN E 5 220 ? 10.698 36.842 -18.265 1.00 74.75 ? 223 ASN E CB 1 -ATOM 6157 N N . ASP E 5 221 ? 8.339 34.467 -18.861 1.00 71.64 ? 224 ASP E N 1 -ATOM 6158 C CA . ASP E 5 221 ? 8.053 33.037 -18.768 1.00 69.71 ? 224 ASP E CA 1 -ATOM 6159 C C . ASP E 5 221 ? 8.145 32.419 -20.157 1.00 67.48 ? 224 ASP E C 1 -ATOM 6160 O O . ASP E 5 221 ? 7.709 33.016 -21.140 1.00 66.37 ? 224 ASP E O 1 -ATOM 6161 C CB . ASP E 5 221 ? 6.673 32.781 -18.145 1.00 69.10 ? 224 ASP E CB 1 -ATOM 6162 C CG . ASP E 5 221 ? 6.764 32.319 -16.694 1.00 70.64 ? 224 ASP E CG 1 -ATOM 6163 O OD1 . ASP E 5 221 ? 7.119 31.137 -16.471 1.00 65.37 ? 224 ASP E OD1 1 -ATOM 6164 O OD2 . ASP E 5 221 ? 6.481 33.132 -15.781 1.00 75.02 ? 224 ASP E OD2 1 -ATOM 6165 N N . GLU E 5 222 ? 8.745 31.237 -20.240 1.00 66.09 ? 225 GLU E N 1 -ATOM 6166 C CA . GLU E 5 222 ? 8.907 30.556 -21.524 1.00 61.81 ? 225 GLU E CA 1 -ATOM 6167 C C . GLU E 5 222 ? 7.617 29.901 -21.988 1.00 56.69 ? 225 GLU E C 1 -ATOM 6168 O O . GLU E 5 222 ? 6.889 29.298 -21.198 1.00 53.66 ? 225 GLU E O 1 -ATOM 6169 C CB . GLU E 5 222 ? 10.031 29.519 -21.447 1.00 64.25 ? 225 GLU E CB 1 -ATOM 6170 N N . TRP E 5 223 ? 7.354 30.002 -23.281 1.00 49.63 ? 226 TRP E N 1 -ATOM 6171 C CA . TRP E 5 223 ? 6.153 29.422 -23.850 1.00 50.75 ? 226 TRP E CA 1 -ATOM 6172 C C . TRP E 5 223 ? 6.388 29.021 -25.304 1.00 58.30 ? 226 TRP E C 1 -ATOM 6173 O O . TRP E 5 223 ? 6.334 29.857 -26.214 1.00 58.44 ? 226 TRP E O 1 -ATOM 6174 C CB . TRP E 5 223 ? 5.015 30.431 -23.759 1.00 44.02 ? 226 TRP E CB 1 -ATOM 6175 C CG . TRP E 5 223 ? 3.692 29.892 -24.187 1.00 42.15 ? 226 TRP E CG 1 -ATOM 6176 C CD1 . TRP E 5 223 ? 3.069 30.106 -25.384 1.00 43.61 ? 226 TRP E CD1 1 -ATOM 6177 C CD2 . TRP E 5 223 ? 2.800 29.092 -23.413 1.00 38.57 ? 226 TRP E CD2 1 -ATOM 6178 N NE1 . TRP E 5 223 ? 1.840 29.496 -25.393 1.00 37.78 ? 226 TRP E NE1 1 -ATOM 6179 C CE2 . TRP E 5 223 ? 1.646 28.869 -24.194 1.00 38.97 ? 226 TRP E CE2 1 -ATOM 6180 C CE3 . TRP E 5 223 ? 2.860 28.543 -22.129 1.00 34.63 ? 226 TRP E CE3 1 -ATOM 6181 C CZ2 . TRP E 5 223 ? 0.564 28.127 -23.731 1.00 39.06 ? 226 TRP E CZ2 1 -ATOM 6182 C CZ3 . TRP E 5 223 ? 1.784 27.805 -21.673 1.00 38.36 ? 226 TRP E CZ3 1 -ATOM 6183 C CH2 . TRP E 5 223 ? 0.650 27.604 -22.471 1.00 35.21 ? 226 TRP E CH2 1 -ATOM 6184 N N . THR E 5 224 ? 6.627 27.737 -25.537 1.00 62.37 ? 227 THR E N 1 -ATOM 6185 C CA . THR E 5 224 ? 6.877 27.279 -26.899 1.00 67.59 ? 227 THR E CA 1 -ATOM 6186 C C . THR E 5 224 ? 5.654 26.621 -27.529 1.00 67.46 ? 227 THR E C 1 -ATOM 6187 O O . THR E 5 224 ? 5.787 25.737 -28.378 1.00 67.39 ? 227 THR E O 1 -ATOM 6188 C CB . THR E 5 224 ? 8.075 26.326 -26.917 1.00 69.14 ? 227 THR E CB 1 -ATOM 6189 N N . GLN E 5 225 ? 4.462 27.082 -27.162 1.00 63.83 ? 228 GLN E N 1 -ATOM 6190 C CA . GLN E 5 225 ? 3.260 26.471 -27.704 1.00 63.45 ? 228 GLN E CA 1 -ATOM 6191 C C . GLN E 5 225 ? 2.434 27.277 -28.672 1.00 62.95 ? 228 GLN E C 1 -ATOM 6192 O O . GLN E 5 225 ? 2.492 28.501 -28.691 1.00 65.43 ? 228 GLN E O 1 -ATOM 6193 C CB . GLN E 5 225 ? 2.376 25.901 -26.609 1.00 60.95 ? 228 GLN E CB 1 -ATOM 6194 C CG . GLN E 5 225 ? 2.878 24.582 -26.105 1.00 64.64 ? 228 GLN E CG 1 -ATOM 6195 C CD . GLN E 5 225 ? 3.513 24.700 -24.753 1.00 74.18 ? 228 GLN E CD 1 -ATOM 6196 O OE1 . GLN E 5 225 ? 2.840 24.986 -23.769 1.00 81.73 ? 228 GLN E OE1 1 -ATOM 6197 N NE2 . GLN E 5 225 ? 4.814 24.478 -24.684 1.00 77.88 ? 228 GLN E NE2 1 -ATOM 6198 N N . ASP E 5 226 ? 1.642 26.543 -29.451 1.00 63.67 ? 229 ASP E N 1 -ATOM 6199 C CA . ASP E 5 226 ? 0.785 27.102 -30.483 1.00 62.92 ? 229 ASP E CA 1 -ATOM 6200 C C . ASP E 5 226 ? -0.409 27.954 -30.094 1.00 61.14 ? 229 ASP E C 1 -ATOM 6201 O O . ASP E 5 226 ? -0.909 28.721 -30.926 1.00 63.16 ? 229 ASP E O 1 -ATOM 6202 N N . ARG E 5 227 ? -0.910 27.805 -28.872 1.00 58.37 ? 230 ARG E N 1 -ATOM 6203 C CA . ARG E 5 227 ? -2.049 28.618 -28.453 1.00 51.51 ? 230 ARG E CA 1 -ATOM 6204 C C . ARG E 5 227 ? -1.446 29.888 -27.904 1.00 47.43 ? 230 ARG E C 1 -ATOM 6205 O O . ARG E 5 227 ? -0.240 29.945 -27.679 1.00 45.78 ? 230 ARG E O 1 -ATOM 6206 C CB . ARG E 5 227 ? -2.883 27.919 -27.383 1.00 51.08 ? 230 ARG E CB 1 -ATOM 6207 C CG . ARG E 5 227 ? -2.261 27.891 -26.015 1.00 59.64 ? 230 ARG E CG 1 -ATOM 6208 C CD . ARG E 5 227 ? -3.179 27.220 -25.019 1.00 64.70 ? 230 ARG E CD 1 -ATOM 6209 N NE . ARG E 5 227 ? -2.728 27.449 -23.654 1.00 73.92 ? 230 ARG E NE 1 -ATOM 6210 C CZ . ARG E 5 227 ? -2.906 26.598 -22.648 1.00 75.68 ? 230 ARG E CZ 1 -ATOM 6211 N NH1 . ARG E 5 227 ? -3.515 25.439 -22.841 1.00 78.64 ? 230 ARG E NH1 1 -ATOM 6212 N NH2 . ARG E 5 227 ? -2.452 26.898 -21.443 1.00 77.88 ? 230 ARG E NH2 1 -ATOM 6213 N N . ALA E 5 228 ? -2.268 30.910 -27.702 1.00 46.41 ? 231 ALA E N 1 -ATOM 6214 C CA . ALA E 5 228 ? -1.764 32.173 -27.167 1.00 45.02 ? 231 ALA E CA 1 -ATOM 6215 C C . ALA E 5 228 ? -1.254 31.985 -25.716 1.00 47.69 ? 231 ALA E C 1 -ATOM 6216 O O . ALA E 5 228 ? -1.894 31.287 -24.898 1.00 52.24 ? 231 ALA E O 1 -ATOM 6217 C CB . ALA E 5 228 ? -2.855 33.246 -27.235 1.00 31.80 ? 231 ALA E CB 1 -ATOM 6218 N N . LYS E 5 229 ? -0.070 32.535 -25.434 1.00 44.17 ? 232 LYS E N 1 -ATOM 6219 C CA . LYS E 5 229 ? 0.551 32.471 -24.109 1.00 37.75 ? 232 LYS E CA 1 -ATOM 6220 C C . LYS E 5 229 ? -0.496 32.980 -23.125 1.00 38.11 ? 232 LYS E C 1 -ATOM 6221 O O . LYS E 5 229 ? -1.025 34.083 -23.299 1.00 39.57 ? 232 LYS E O 1 -ATOM 6222 C CB . LYS E 5 229 ? 1.778 33.376 -24.105 1.00 30.00 ? 232 LYS E CB 1 -ATOM 6223 C CG . LYS E 5 229 ? 2.787 33.132 -23.024 1.00 23.52 ? 232 LYS E CG 1 -ATOM 6224 C CD . LYS E 5 229 ? 3.965 34.022 -23.305 1.00 27.42 ? 232 LYS E CD 1 -ATOM 6225 C CE . LYS E 5 229 ? 5.036 33.934 -22.253 1.00 39.95 ? 232 LYS E CE 1 -ATOM 6226 N NZ . LYS E 5 229 ? 6.184 34.821 -22.587 1.00 41.97 ? 232 LYS E NZ 1 -ATOM 6227 N N . PRO E 5 230 ? -0.798 32.196 -22.075 1.00 39.08 ? 233 PRO E N 1 -ATOM 6228 C CA . PRO E 5 230 ? -1.801 32.550 -21.053 1.00 39.53 ? 233 PRO E CA 1 -ATOM 6229 C C . PRO E 5 230 ? -1.345 33.658 -20.103 1.00 40.62 ? 233 PRO E C 1 -ATOM 6230 O O . PRO E 5 230 ? -1.499 33.554 -18.889 1.00 43.89 ? 233 PRO E O 1 -ATOM 6231 C CB . PRO E 5 230 ? -2.006 31.236 -20.293 1.00 40.54 ? 233 PRO E CB 1 -ATOM 6232 C CG . PRO E 5 230 ? -1.127 30.196 -21.026 1.00 40.58 ? 233 PRO E CG 1 -ATOM 6233 C CD . PRO E 5 230 ? -0.053 30.996 -21.668 1.00 34.54 ? 233 PRO E CD 1 -ATOM 6234 N N . VAL E 5 231 ? -0.838 34.741 -20.675 1.00 36.88 ? 234 VAL E N 1 -ATOM 6235 C CA . VAL E 5 231 ? -0.321 35.870 -19.922 1.00 29.32 ? 234 VAL E CA 1 -ATOM 6236 C C . VAL E 5 231 ? -1.378 36.669 -19.140 1.00 29.79 ? 234 VAL E C 1 -ATOM 6237 O O . VAL E 5 231 ? -2.588 36.514 -19.350 1.00 24.16 ? 234 VAL E O 1 -ATOM 6238 C CB . VAL E 5 231 ? 0.428 36.818 -20.881 1.00 24.71 ? 234 VAL E CB 1 -ATOM 6239 C CG1 . VAL E 5 231 ? 1.670 36.159 -21.424 1.00 18.34 ? 234 VAL E CG1 1 -ATOM 6240 C CG2 . VAL E 5 231 ? -0.475 37.203 -22.025 1.00 18.73 ? 234 VAL E CG2 1 -ATOM 6241 N N . THR E 5 232 ? -0.901 37.500 -18.213 1.00 33.10 ? 235 THR E N 1 -ATOM 6242 C CA . THR E 5 232 ? -1.774 38.362 -17.419 1.00 35.05 ? 235 THR E CA 1 -ATOM 6243 C C . THR E 5 232 ? -2.518 39.253 -18.407 1.00 31.91 ? 235 THR E C 1 -ATOM 6244 O O . THR E 5 232 ? -1.902 39.985 -19.199 1.00 36.30 ? 235 THR E O 1 -ATOM 6245 C CB . THR E 5 232 ? -0.977 39.267 -16.454 1.00 35.67 ? 235 THR E CB 1 -ATOM 6246 O OG1 . THR E 5 232 ? -0.171 38.462 -15.588 1.00 43.14 ? 235 THR E OG1 1 -ATOM 6247 C CG2 . THR E 5 232 ? -1.928 40.114 -15.611 1.00 41.12 ? 235 THR E CG2 1 -ATOM 6248 N N . GLN E 5 233 ? -3.839 39.239 -18.306 1.00 30.61 ? 236 GLN E N 1 -ATOM 6249 C CA . GLN E 5 233 ? -4.687 39.995 -19.210 1.00 23.69 ? 236 GLN E CA 1 -ATOM 6250 C C . GLN E 5 233 ? -6.062 40.202 -18.596 1.00 21.04 ? 236 GLN E C 1 -ATOM 6251 O O . GLN E 5 233 ? -6.394 39.592 -17.586 1.00 24.78 ? 236 GLN E O 1 -ATOM 6252 C CB . GLN E 5 233 ? -4.830 39.186 -20.497 1.00 24.73 ? 236 GLN E CB 1 -ATOM 6253 C CG . GLN E 5 233 ? -5.180 37.733 -20.220 1.00 25.02 ? 236 GLN E CG 1 -ATOM 6254 C CD . GLN E 5 233 ? -5.264 36.881 -21.460 1.00 25.90 ? 236 GLN E CD 1 -ATOM 6255 O OE1 . GLN E 5 233 ? -6.305 36.834 -22.129 1.00 28.89 ? 236 GLN E OE1 1 -ATOM 6256 N NE2 . GLN E 5 233 ? -4.198 36.143 -21.741 1.00 21.45 ? 236 GLN E NE2 1 -ATOM 6257 N N . ILE E 5 234 ? -6.857 41.054 -19.231 1.00 18.74 ? 237 ILE E N 1 -ATOM 6258 C CA . ILE E 5 234 ? -8.214 41.353 -18.800 1.00 18.88 ? 237 ILE E CA 1 -ATOM 6259 C C . ILE E 5 234 ? -9.113 40.816 -19.903 1.00 25.58 ? 237 ILE E C 1 -ATOM 6260 O O . ILE E 5 234 ? -8.880 41.085 -21.084 1.00 30.45 ? 237 ILE E O 1 -ATOM 6261 C CB . ILE E 5 234 ? -8.453 42.879 -18.679 1.00 14.14 ? 237 ILE E CB 1 -ATOM 6262 C CG1 . ILE E 5 234 ? -7.634 43.474 -17.543 1.00 14.59 ? 237 ILE E CG1 1 -ATOM 6263 C CG2 . ILE E 5 234 ? -9.902 43.169 -18.466 1.00 8.96 ? 237 ILE E CG2 1 -ATOM 6264 C CD1 . ILE E 5 234 ? -7.756 44.976 -17.449 1.00 16.72 ? 237 ILE E CD1 1 -ATOM 6265 N N . VAL E 5 235 ? -10.127 40.049 -19.512 1.00 26.23 ? 238 VAL E N 1 -ATOM 6266 C CA . VAL E 5 235 ? -11.070 39.459 -20.449 1.00 22.65 ? 238 VAL E CA 1 -ATOM 6267 C C . VAL E 5 235 ? -12.446 39.926 -20.006 1.00 26.98 ? 238 VAL E C 1 -ATOM 6268 O O . VAL E 5 235 ? -12.857 39.641 -18.881 1.00 28.48 ? 238 VAL E O 1 -ATOM 6269 C CB . VAL E 5 235 ? -11.028 37.922 -20.377 1.00 23.60 ? 238 VAL E CB 1 -ATOM 6270 C CG1 . VAL E 5 235 ? -11.930 37.322 -21.440 1.00 24.32 ? 238 VAL E CG1 1 -ATOM 6271 C CG2 . VAL E 5 235 ? -9.598 37.416 -20.531 1.00 17.21 ? 238 VAL E CG2 1 -ATOM 6272 N N . SER E 5 236 ? -13.141 40.662 -20.871 1.00 27.57 ? 239 SER E N 1 -ATOM 6273 C CA . SER E 5 236 ? -14.465 41.179 -20.547 1.00 24.47 ? 239 SER E CA 1 -ATOM 6274 C C . SER E 5 236 ? -15.578 40.664 -21.447 1.00 22.92 ? 239 SER E C 1 -ATOM 6275 O O . SER E 5 236 ? -15.335 40.035 -22.475 1.00 24.93 ? 239 SER E O 1 -ATOM 6276 C CB . SER E 5 236 ? -14.468 42.710 -20.634 1.00 21.55 ? 239 SER E CB 1 -ATOM 6277 O OG . SER E 5 236 ? -13.196 43.259 -20.340 1.00 30.36 ? 239 SER E OG 1 -ATOM 6278 N N . ALA E 5 237 ? -16.799 41.009 -21.061 1.00 20.03 ? 240 ALA E N 1 -ATOM 6279 C CA . ALA E 5 237 ? -18.009 40.677 -21.787 1.00 15.10 ? 240 ALA E CA 1 -ATOM 6280 C C . ALA E 5 237 ? -18.910 41.860 -21.490 1.00 18.64 ? 240 ALA E C 1 -ATOM 6281 O O . ALA E 5 237 ? -18.699 42.550 -20.500 1.00 17.77 ? 240 ALA E O 1 -ATOM 6282 C CB . ALA E 5 237 ? -18.613 39.422 -21.232 1.00 22.74 ? 240 ALA E CB 1 -ATOM 6283 N N . GLU E 5 238 ? -19.911 42.109 -22.322 1.00 23.72 ? 241 GLU E N 1 -ATOM 6284 C CA . GLU E 5 238 ? -20.792 43.242 -22.070 1.00 26.08 ? 241 GLU E CA 1 -ATOM 6285 C C . GLU E 5 238 ? -22.217 43.018 -22.465 1.00 23.72 ? 241 GLU E C 1 -ATOM 6286 O O . GLU E 5 238 ? -22.565 41.943 -22.939 1.00 35.20 ? 241 GLU E O 1 -ATOM 6287 C CB . GLU E 5 238 ? -20.277 44.490 -22.773 1.00 33.76 ? 241 GLU E CB 1 -ATOM 6288 C CG . GLU E 5 238 ? -20.265 44.413 -24.266 1.00 38.97 ? 241 GLU E CG 1 -ATOM 6289 C CD . GLU E 5 238 ? -19.177 45.276 -24.857 1.00 50.16 ? 241 GLU E CD 1 -ATOM 6290 O OE1 . GLU E 5 238 ? -18.062 45.326 -24.279 1.00 55.63 ? 241 GLU E OE1 1 -ATOM 6291 O OE2 . GLU E 5 238 ? -19.431 45.900 -25.902 1.00 48.67 ? 241 GLU E OE2 1 -ATOM 6292 N N . ALA E 5 239 ? -23.046 44.030 -22.228 1.00 22.27 ? 242 ALA E N 1 -ATOM 6293 C CA . ALA E 5 239 ? -24.468 43.995 -22.573 1.00 23.85 ? 242 ALA E CA 1 -ATOM 6294 C C . ALA E 5 239 ? -24.993 45.429 -22.705 1.00 26.96 ? 242 ALA E C 1 -ATOM 6295 O O . ALA E 5 239 ? -24.430 46.347 -22.101 1.00 32.88 ? 242 ALA E O 1 -ATOM 6296 C CB . ALA E 5 239 ? -25.247 43.240 -21.520 1.00 21.26 ? 242 ALA E CB 1 -ATOM 6297 N N . TRP E 5 240 ? -26.023 45.631 -23.528 1.00 30.58 ? 243 TRP E N 1 -ATOM 6298 C CA . TRP E 5 240 ? -26.611 46.964 -23.715 1.00 34.16 ? 243 TRP E CA 1 -ATOM 6299 C C . TRP E 5 240 ? -28.045 47.022 -23.267 1.00 35.09 ? 243 TRP E C 1 -ATOM 6300 O O . TRP E 5 240 ? -28.808 46.077 -23.508 1.00 32.94 ? 243 TRP E O 1 -ATOM 6301 C CB . TRP E 5 240 ? -26.574 47.427 -25.179 1.00 32.98 ? 243 TRP E CB 1 -ATOM 6302 C CG . TRP E 5 240 ? -25.329 48.129 -25.564 1.00 36.15 ? 243 TRP E CG 1 -ATOM 6303 C CD1 . TRP E 5 240 ? -25.097 49.490 -25.576 1.00 39.43 ? 243 TRP E CD1 1 -ATOM 6304 C CD2 . TRP E 5 240 ? -24.141 47.514 -26.045 1.00 41.58 ? 243 TRP E CD2 1 -ATOM 6305 N NE1 . TRP E 5 240 ? -23.824 49.745 -26.049 1.00 42.49 ? 243 TRP E NE1 1 -ATOM 6306 C CE2 . TRP E 5 240 ? -23.222 48.551 -26.349 1.00 45.69 ? 243 TRP E CE2 1 -ATOM 6307 C CE3 . TRP E 5 240 ? -23.760 46.179 -26.259 1.00 43.43 ? 243 TRP E CE3 1 -ATOM 6308 C CZ2 . TRP E 5 240 ? -21.948 48.290 -26.855 1.00 51.56 ? 243 TRP E CZ2 1 -ATOM 6309 C CZ3 . TRP E 5 240 ? -22.493 45.919 -26.761 1.00 50.41 ? 243 TRP E CZ3 1 -ATOM 6310 C CH2 . TRP E 5 240 ? -21.604 46.972 -27.059 1.00 55.68 ? 243 TRP E CH2 1 -ATOM 6311 N N . GLY E 5 241 ? -28.403 48.166 -22.678 1.00 37.75 ? 244 GLY E N 1 -ATOM 6312 C CA . GLY E 5 241 ? -29.754 48.417 -22.203 1.00 41.05 ? 244 GLY E CA 1 -ATOM 6313 C C . GLY E 5 241 ? -30.772 48.193 -23.304 1.00 43.25 ? 244 GLY E C 1 -ATOM 6314 O O . GLY E 5 241 ? -30.788 48.896 -24.324 1.00 44.17 ? 244 GLY E O 1 -ATOM 6315 N N . ARG E 5 242 ? -31.589 47.166 -23.106 1.00 43.53 ? 245 ARG E N 1 -ATOM 6316 C CA . ARG E 5 242 ? -32.618 46.771 -24.052 1.00 45.66 ? 245 ARG E CA 1 -ATOM 6317 C C . ARG E 5 242 ? -33.919 47.424 -23.675 1.00 48.56 ? 245 ARG E C 1 -ATOM 6318 O O . ARG E 5 242 ? -33.957 48.320 -22.848 1.00 50.45 ? 245 ARG E O 1 -ATOM 6319 C CB . ARG E 5 242 ? -32.791 45.251 -24.014 1.00 51.43 ? 245 ARG E CB 1 -ATOM 6320 C CG . ARG E 5 242 ? -32.792 44.579 -25.371 1.00 57.36 ? 245 ARG E CG 1 -ATOM 6321 C CD . ARG E 5 242 ? -32.534 43.077 -25.251 1.00 65.13 ? 245 ARG E CD 1 -ATOM 6322 N NE . ARG E 5 242 ? -31.946 42.556 -26.488 1.00 80.58 ? 245 ARG E NE 1 -ATOM 6323 C CZ . ARG E 5 242 ? -32.602 41.859 -27.420 1.00 85.23 ? 245 ARG E CZ 1 -ATOM 6324 N NH1 . ARG E 5 242 ? -33.887 41.565 -27.270 1.00 88.76 ? 245 ARG E NH1 1 -ATOM 6325 N NH2 . ARG E 5 242 ? -31.982 41.503 -28.540 1.00 86.11 ? 245 ARG E NH2 1 -ATOM 6326 N N . ALA E 5 243 ? -34.984 46.938 -24.293 1.00 55.77 ? 246 ALA E N 1 -ATOM 6327 C CA . ALA E 5 243 ? -36.351 47.394 -24.085 1.00 61.41 ? 246 ALA E CA 1 -ATOM 6328 C C . ALA E 5 243 ? -37.116 46.470 -25.033 1.00 66.24 ? 246 ALA E C 1 -ATOM 6329 O O . ALA E 5 243 ? -37.460 46.843 -26.148 1.00 71.86 ? 246 ALA E O 1 -ATOM 6330 C CB . ALA E 5 243 ? -36.507 48.866 -24.493 1.00 53.49 ? 246 ALA E CB 1 -ATOM 6331 N N . ASP E 5 244 ? -37.224 45.213 -24.623 1.00 72.86 ? 247 ASP E N 1 -ATOM 6332 C CA . ASP E 5 244 ? -37.894 44.171 -25.396 1.00 78.45 ? 247 ASP E CA 1 -ATOM 6333 C C . ASP E 5 244 ? -39.404 44.408 -25.446 1.00 79.67 ? 247 ASP E C 1 -ATOM 6334 O O . ASP E 5 244 ? -39.931 45.095 -24.540 1.00 80.65 ? 247 ASP E O 1 -ATOM 6335 C CB . ASP E 5 244 ? -37.614 42.787 -24.777 1.00 85.31 ? 247 ASP E CB 1 -ATOM 6336 C CG . ASP E 5 244 ? -36.120 42.518 -24.543 1.00 91.37 ? 247 ASP E CG 1 -ATOM 6337 O OD1 . ASP E 5 244 ? -35.428 43.361 -23.927 1.00 95.67 ? 247 ASP E OD1 1 -ATOM 6338 O OD2 . ASP E 5 244 ? -35.643 41.432 -24.943 1.00 93.36 ? 247 ASP E OD2 1 -ATOM 6339 O OXT . ASP E 5 244 ? -40.047 43.878 -26.378 1.00 79.42 ? 247 ASP E OXT 1 -HETATM 6340 O O . HOH F 6 . ? 7.217 35.428 22.562 1.00 28.62 ? 276 HOH A O 1 -HETATM 6341 O O . HOH F 6 . ? 12.050 60.881 40.561 1.00 34.79 ? 277 HOH A O 1 -HETATM 6342 O O . HOH F 6 . ? 22.786 27.812 42.491 1.00 72.01 ? 278 HOH A O 1 -HETATM 6343 O O . HOH F 6 . ? 11.859 29.074 33.098 1.00 39.93 ? 279 HOH A O 1 -HETATM 6344 O O . HOH F 6 . ? 46.880 40.024 71.151 1.00 61.52 ? 280 HOH A O 1 -HETATM 6345 O O . HOH F 6 . ? 21.866 30.691 46.388 1.00 60.38 ? 281 HOH A O 1 -HETATM 6346 O O . HOH F 6 . ? 7.026 21.439 29.062 1.00 38.38 ? 282 HOH A O 1 -HETATM 6347 O O . HOH F 6 . ? 9.626 59.738 41.270 1.00 51.40 ? 283 HOH A O 1 -HETATM 6348 O O . HOH F 6 . ? 18.451 22.306 47.056 1.00 44.13 ? 284 HOH A O 1 -HETATM 6349 O O . HOH G 6 . ? 45.543 18.503 43.746 1.00 74.42 ? 100 HOH B O 1 -HETATM 6350 O O . HOH G 6 . ? 26.108 28.142 38.952 1.00 48.63 ? 101 HOH B O 1 -HETATM 6351 O O . HOH G 6 . ? 26.418 39.409 47.615 1.00 64.93 ? 102 HOH B O 1 -HETATM 6352 O O . HOH G 6 . ? 49.310 28.293 47.981 1.00 75.38 ? 103 HOH B O 1 -HETATM 6353 O O . HOH G 6 . ? 55.103 28.475 43.014 1.00 72.85 ? 104 HOH B O 1 -HETATM 6354 O O . HOH H 6 . ? -26.098 36.480 4.397 1.00 46.51 ? 211 HOH D O 1 -HETATM 6355 O O . HOH H 6 . ? 14.304 36.887 20.928 1.00 24.67 ? 212 HOH D O 1 -HETATM 6356 O O . HOH H 6 . ? -4.151 44.070 13.264 1.00 34.02 ? 213 HOH D O 1 -HETATM 6357 O O . HOH H 6 . ? -34.440 40.274 -1.266 1.00 51.73 ? 214 HOH D O 1 -HETATM 6358 O O . HOH H 6 . ? -29.272 43.637 17.090 1.00 80.31 ? 215 HOH D O 1 -HETATM 6359 O O . HOH H 6 . ? 16.629 38.434 20.359 1.00 57.17 ? 216 HOH D O 1 -HETATM 6360 O O . HOH H 6 . ? -1.851 38.540 29.612 1.00 42.98 ? 217 HOH D O 1 -HETATM 6361 O O . HOH H 6 . ? -36.572 33.386 -16.241 1.00 46.94 ? 218 HOH D O 1 -HETATM 6362 O O . HOH H 6 . ? -36.551 30.170 -16.320 1.00 69.80 ? 219 HOH D O 1 -HETATM 6363 O O . HOH H 6 . ? -38.674 27.723 -14.300 1.00 54.08 ? 220 HOH D O 1 -HETATM 6364 O O . HOH H 6 . ? -12.690 36.421 4.615 1.00 62.86 ? 221 HOH D O 1 -HETATM 6365 O O . HOH H 6 . ? -17.115 25.724 23.647 1.00 51.58 ? 222 HOH D O 1 -HETATM 6366 O O . HOH H 6 . ? -10.717 43.420 13.702 1.00 54.55 ? 223 HOH D O 1 -HETATM 6367 O O . HOH I 6 . ? -7.834 28.401 2.800 1.00 73.15 ? 248 HOH E O 1 -HETATM 6368 O O . HOH I 6 . ? 18.462 26.705 2.659 1.00 24.55 ? 249 HOH E O 1 -HETATM 6369 O O . HOH I 6 . ? 16.103 42.466 4.755 1.00 56.84 ? 250 HOH E O 1 -HETATM 6370 O O . HOH I 6 . ? -23.183 32.818 -5.532 1.00 27.76 ? 251 HOH E O 1 -HETATM 6371 O O . HOH I 6 . ? 0.378 47.513 18.019 1.00 34.80 ? 252 HOH E O 1 -HETATM 6372 O O . HOH I 6 . ? -2.632 44.002 -12.246 1.00 64.89 ? 253 HOH E O 1 -HETATM 6373 O O . HOH I 6 . ? -9.132 25.391 -19.867 1.00 24.59 ? 254 HOH E O 1 -HETATM 6374 O O . HOH I 6 . ? -37.533 52.929 -19.212 1.00 57.34 ? 255 HOH E O 1 -HETATM 6375 O O . HOH I 6 . ? 16.783 32.406 -8.683 1.00 73.10 ? 256 HOH E O 1 -HETATM 6376 O O . HOH I 6 . ? -10.858 27.299 2.616 1.00 63.18 ? 257 HOH E O 1 -HETATM 6377 O O . HOH I 6 . ? -11.731 43.369 -12.769 1.00 34.61 ? 258 HOH E O 1 -HETATM 6378 O O . HOH I 6 . ? 3.361 39.263 -10.471 1.00 56.34 ? 259 HOH E O 1 -# diff --git a/tmp/1BD2.mmjson b/tmp/1BD2.mmjson deleted file mode 100644 index 2ecb5905a17..00000000000 --- a/tmp/1BD2.mmjson +++ /dev/null @@ -1,732 +0,0 @@ -{ - "1bd2": { - "_entry.id": "1BD2", - "_audit_conform.dict_name": "mmcif_pdbx.dic", - "_audit_conform.dict_version": 5.397, - "_audit_conform.dict_location": "http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic", - "_database_2.database_id": ["PDB","WWPDB"], - "_database_2.database_code": ["1BD2","D_1000171609"], - "_database_2.pdbx_database_accession": ["pdb_00001bd2",null], - "_database_2.pdbx_doi": ["10.2210/pdb1bd2/pdb",null], - "_pdbx_audit_revision_history.ordinal": [1,2,3,4,5,6,7,8], - "_pdbx_audit_revision_history.data_content_type": ["Structure model","Structure model","Structure model","Structure model","Structure model","Structure model","Structure model","Structure model"], - "_pdbx_audit_revision_history.major_revision": [1,1,1,1,1,1,1,1], - 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- } -} diff --git a/tmp/1BD2.pdb b/tmp/1BD2.pdb deleted file mode 100644 index 55d8cf2d2c8..00000000000 --- a/tmp/1BD2.pdb +++ /dev/null @@ -1,7044 +0,0 @@ -HEADER COMPLEX (MHC/VIRAL PEPTIDE/RECEPTOR) 12-MAY-98 1BD2 -TITLE COMPLEX BETWEEN HUMAN T-CELL RECEPTOR B7, VIRAL PEPTIDE (TAX) AND MHC -TITLE 2 CLASS I MOLECULE HLA-A 0201 -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: HLA-A 0201; -COMPND 3 CHAIN: A; -COMPND 4 FRAGMENT: EXTRACELLULAR DOMAINS ALPHA 1, ALPHA 2, ALPHA 3; -COMPND 5 SYNONYM: HLA A2 HEAVY CHAIN; -COMPND 6 ENGINEERED: YES; -COMPND 7 MOL_ID: 2; -COMPND 8 MOLECULE: BETA-2 MICROGLOBULIN; -COMPND 9 CHAIN: B; -COMPND 10 ENGINEERED: YES; -COMPND 11 MOL_ID: 3; -COMPND 12 MOLECULE: TAX PEPTIDE; -COMPND 13 CHAIN: C; -COMPND 14 FRAGMENT: RESIDUES 11 - 19 FROM TAX PROTEIN OF HUMAN T LYMPHOTROPIC -COMPND 15 VIRUS TYPE 1; -COMPND 16 ENGINEERED: YES; -COMPND 17 MOL_ID: 4; -COMPND 18 MOLECULE: T CELL RECEPTOR ALPHA; -COMPND 19 CHAIN: D; -COMPND 20 FRAGMENT: EXTRACELLULAR DOMAINS V AND C, RESIDUES 1 - 210; -COMPND 21 ENGINEERED: YES; -COMPND 22 MOL_ID: 5; -COMPND 23 MOLECULE: T CELL RECEPTOR BETA; -COMPND 24 CHAIN: E; -COMPND 25 FRAGMENT: EXTRACELLULAR DOMAINS V AND C, RESIDUES 1 - 247; -COMPND 26 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; -SOURCE 3 ORGANISM_COMMON: HUMAN; -SOURCE 4 ORGANISM_TAXID: 9606; -SOURCE 5 CELL_LINE: BL21; -SOURCE 6 ORGAN: PLASMA; -SOURCE 7 CELLULAR_LOCATION: PLASMA MEMBRANE; -SOURCE 8 GENE: HLA-A 0201; -SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI; -SOURCE 10 EXPRESSION_SYSTEM_TAXID: 562; -SOURCE 11 EXPRESSION_SYSTEM_STRAIN: XA90; -SOURCE 12 EXPRESSION_SYSTEM_CELLULAR_LOCATION: REFOLDED FROM INCLUSION BODIES; -SOURCE 13 EXPRESSION_SYSTEM_PLASMID: PHN1; -SOURCE 14 MOL_ID: 2; -SOURCE 15 ORGANISM_SCIENTIFIC: HOMO SAPIENS; -SOURCE 16 ORGANISM_COMMON: HUMAN; -SOURCE 17 ORGANISM_TAXID: 9606; -SOURCE 18 CELL_LINE: BL21; -SOURCE 19 ORGAN: PLASMA; -SOURCE 20 CELLULAR_LOCATION: EXTRACELLULAR; -SOURCE 21 GENE: V BETA 12.3 J BETA 2.7 (BV13S1); -SOURCE 22 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); -SOURCE 23 EXPRESSION_SYSTEM_TAXID: 469008; -SOURCE 24 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); -SOURCE 25 EXPRESSION_SYSTEM_CELLULAR_LOCATION: REFOLDED FROM INCLUSION BODIES; -SOURCE 26 EXPRESSION_SYSTEM_PLASMID: PLM1; -SOURCE 27 MOL_ID: 3; -SOURCE 28 ORGANISM_SCIENTIFIC: HUMAN T-LYMPHOTROPIC VIRUS 1; -SOURCE 29 ORGANISM_TAXID: 11908; -SOURCE 30 MOL_ID: 4; -SOURCE 31 ORGANISM_SCIENTIFIC: HOMO SAPIENS; -SOURCE 32 ORGANISM_COMMON: HUMAN; -SOURCE 33 ORGANISM_TAXID: 9606; -SOURCE 34 CELL_LINE: BL21; -SOURCE 35 ORGAN: PLASMA; -SOURCE 36 CELL: T-LYMPHOCYTE; -SOURCE 37 CELLULAR_LOCATION: PLASMA MEMBRANE; -SOURCE 38 GENE: V ALPHA 17.2, J ALPHA 54 (ADV21S1A1N2); -SOURCE 39 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); -SOURCE 40 EXPRESSION_SYSTEM_TAXID: 469008; -SOURCE 41 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); -SOURCE 42 EXPRESSION_SYSTEM_CELLULAR_LOCATION: REFOLDED FROM INCLUSION BODIES; -SOURCE 43 EXPRESSION_SYSTEM_PLASMID: PLM1; -SOURCE 44 MOL_ID: 5; -SOURCE 45 ORGANISM_SCIENTIFIC: HOMO SAPIENS; -SOURCE 46 ORGANISM_COMMON: HUMAN; -SOURCE 47 ORGANISM_TAXID: 9606; -SOURCE 48 CELL_LINE: BL21; -SOURCE 49 ORGAN: PLASMA; -SOURCE 50 CELL: T-LYMPHOCYTE; -SOURCE 51 CELLULAR_LOCATION: PLASMA MEMBRANE; -SOURCE 52 GENE: V BETA 12.3, J BETA 2.7 (BV13S1); -SOURCE 53 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); -SOURCE 54 EXPRESSION_SYSTEM_TAXID: 469008; -SOURCE 55 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); -SOURCE 56 EXPRESSION_SYSTEM_CELLULAR_LOCATION: REFOLDED FROM INCLUSION BODIES; -SOURCE 57 EXPRESSION_SYSTEM_PLASMID: PLM1 -KEYWDS COMPLEX (MHC-VIRAL PEPTIDE-RECEPTOR), COMPLEX (MHC-VIRAL PEPTIDE- -KEYWDS 2 RECEPTOR) COMPLEX -EXPDTA X-RAY DIFFRACTION -AUTHOR Y.-H.DING,K.J.SMITH,D.N.GARBOCZI,U.UTZ,W.E.BIDDISON,D.C.WILEY -REVDAT 5 23-OCT-24 1BD2 1 REMARK -REVDAT 4 02-AUG-23 1BD2 1 SEQADV -REVDAT 3 25-MAY-16 1BD2 1 SOURCE VERSN -REVDAT 2 24-FEB-09 1BD2 1 VERSN -REVDAT 1 19-AUG-98 1BD2 0 -JRNL AUTH Y.H.DING,K.J.SMITH,D.N.GARBOCZI,U.UTZ,W.E.BIDDISON,D.C.WILEY -JRNL TITL TWO HUMAN T CELL RECEPTORS BIND IN A SIMILAR DIAGONAL MODE -JRNL TITL 2 TO THE HLA-A2/TAX PEPTIDE COMPLEX USING DIFFERENT TCR AMINO -JRNL TITL 3 ACIDS. -JRNL REF IMMUNITY V. 8 403 1998 -JRNL REFN ISSN 1074-7613 -JRNL PMID 9586631 -JRNL DOI 10.1016/S1074-7613(00)80546-4 -REMARK 1 -REMARK 1 REFERENCE 1 -REMARK 1 AUTH D.N.GARBOCZI,P.GHOSH,U.UTZ,Q.R.FAN,W.E.BIDDISON,D.C.WILEY -REMARK 1 TITL STRUCTURE OF THE COMPLEX BETWEEN HUMAN T-CELL RECEPTOR, -REMARK 1 TITL 2 VIRAL PEPTIDE AND HLA-A2 -REMARK 1 REF NATURE V. 384 134 1996 -REMARK 1 REFN ISSN 0028-0836 -REMARK 2 -REMARK 2 RESOLUTION. 2.50 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : X-PLOR 3.851 -REMARK 3 AUTHORS : BRUNGER -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 -REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1000000.000 -REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 -REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 90.6 -REMARK 3 NUMBER OF REFLECTIONS : 31731 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT -REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM -REMARK 3 R VALUE (WORKING SET) : 0.238 -REMARK 3 FREE R VALUE : 0.312 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.200 -REMARK 3 FREE R VALUE TEST SET COUNT : 1637 -REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.008 -REMARK 3 -REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. -REMARK 3 TOTAL NUMBER OF BINS USED : 8 -REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.50 -REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.61 -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 84.50 -REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3450 -REMARK 3 BIN R VALUE (WORKING SET) : 0.3800 -REMARK 3 BIN FREE R VALUE : 0.4200 -REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.60 -REMARK 3 BIN FREE R VALUE TEST SET COUNT : 168 -REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.032 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 6339 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 0 -REMARK 3 SOLVENT ATOMS : 39 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : 59.10 -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 41.10 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : NULL -REMARK 3 B22 (A**2) : NULL -REMARK 3 B33 (A**2) : NULL -REMARK 3 B12 (A**2) : NULL -REMARK 3 B13 (A**2) : NULL -REMARK 3 B23 (A**2) : NULL -REMARK 3 -REMARK 3 ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.37 -REMARK 3 ESD FROM SIGMAA (A) : 0.50 -REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 -REMARK 3 -REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. -REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.48 -REMARK 3 ESD FROM C-V SIGMAA (A) : 0.58 -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 BOND LENGTHS (A) : 0.010 -REMARK 3 BOND ANGLES (DEGREES) : 1.630 -REMARK 3 DIHEDRAL ANGLES (DEGREES) : 27.42 -REMARK 3 IMPROPER ANGLES (DEGREES) : 1.421 -REMARK 3 -REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA -REMARK 3 MAIN-CHAIN BOND (A**2) : 3.250 ; 2.000 -REMARK 3 MAIN-CHAIN ANGLE (A**2) : 5.200 ; 4.000 -REMARK 3 SIDE-CHAIN BOND (A**2) : 4.920 ; 2.000 -REMARK 3 SIDE-CHAIN ANGLE (A**2) : 7.330 ; 4.000 -REMARK 3 -REMARK 3 NCS MODEL : NULL -REMARK 3 -REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT -REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL -REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL -REMARK 3 -REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO -REMARK 3 PARAMETER FILE 2 : PARAM19.SOL -REMARK 3 PARAMETER FILE 3 : NULL -REMARK 3 TOPOLOGY FILE 1 : TOPH19.PEP -REMARK 3 TOPOLOGY FILE 2 : TOPHCSDX.PRO -REMARK 3 TOPOLOGY FILE 3 : NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 1BD2 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. -REMARK 100 THE DEPOSITION ID IS D_1000171609. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 05-FEB-97 -REMARK 200 TEMPERATURE (KELVIN) : 100 -REMARK 200 PH : 7.1 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : Y -REMARK 200 RADIATION SOURCE : CHESS -REMARK 200 BEAMLINE : A1 -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 0.908 -REMARK 200 MONOCHROMATOR : NULL -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : CCD -REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO -REMARK 200 DATA SCALING SOFTWARE : SCALEPACK -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 33899 -REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 -REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 91.2 -REMARK 200 DATA REDUNDANCY : 4.200 -REMARK 200 R MERGE (I) : 0.11000 -REMARK 200 R SYM (I) : NULL -REMARK 200 FOR THE DATA SET : NULL -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.59 -REMARK 200 COMPLETENESS FOR SHELL (%) : 85.1 -REMARK 200 DATA REDUNDANCY IN SHELL : NULL -REMARK 200 R MERGE FOR SHELL (I) : 0.22000 -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : NULL -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: NULL -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT -REMARK 200 SOFTWARE USED: X-PLOR 3.851 -REMARK 200 STARTING MODEL: PDB ENTRIES 1HHI AND 1AO7 -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 58.00 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.68 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: 12% PEG8000, 20MM MOPS, 100MM -REMARK 280 MAGNESIUM ACETATE,PH7.1 -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X+1/2,-Y,Z+1/2 -REMARK 290 3555 -X,Y+1/2,-Z+1/2 -REMARK 290 4555 X+1/2,-Y+1/2,-Z -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 31.90000 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 108.85000 -REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 36.65000 -REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 108.85000 -REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 31.90000 -REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 36.65000 -REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 -REMARK 290 REMARK: NULL -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: PENTAMERIC -REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: PENTAMERIC -REMARK 350 SOFTWARE USED: PISA -REMARK 350 TOTAL BURIED SURFACE AREA: 10000 ANGSTROM**2 -REMARK 350 SURFACE AREA OF THE COMPLEX: 36170 ANGSTROM**2 -REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -57.0 KCAL/MOL -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 465 -REMARK 465 MISSING RESIDUES -REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE -REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) -REMARK 465 -REMARK 465 M RES C SSSEQI -REMARK 465 MET B 0 -REMARK 465 SER D 133 -REMARK 465 SER D 134 -REMARK 465 ASP D 135 -REMARK 465 LYS D 136 -REMARK 465 SER D 170 -REMARK 465 MET D 171 -REMARK 465 ASP D 172 -REMARK 465 PHE D 204 -REMARK 465 PRO D 205 -REMARK 465 SER D 206 -REMARK 465 PRO D 207 -REMARK 465 GLU D 208 -REMARK 465 SER D 209 -REMARK 465 SER D 210 -REMARK 465 ASN E 1 -REMARK 465 ALA E 2 -REMARK 470 -REMARK 470 MISSING ATOM -REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; -REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; -REMARK 470 I=INSERTION CODE): -REMARK 470 M RES CSSEQI ATOMS -REMARK 470 ARG A 17 CB CG CD NE CZ NH1 NH2 -REMARK 470 GLN A 54 CB CG CD OE1 NE2 -REMARK 470 ARG A 170 CG CD NE CZ NH1 NH2 -REMARK 470 GLU A 177 CB CG CD OE1 OE2 -REMARK 470 HIS A 192 CB CG ND1 CD2 CE1 NE2 -REMARK 470 GLU A 222 CG CD OE1 OE2 -REMARK 470 ASP A 223 CB CG OD1 OD2 -REMARK 470 GLN A 226 CG CD OE1 NE2 -REMARK 470 ARG A 256 CG CD NE CZ NH1 NH2 -REMARK 470 GLU A 264 CG CD OE1 OE2 -REMARK 470 LYS A 268 CG CD CE NZ -REMARK 470 ARG A 273 CG CD NE CZ NH1 NH2 -REMARK 470 LYS B 19 CG CD CE NZ -REMARK 470 GLU B 44 CB CG CD OE1 OE2 -REMARK 470 GLU B 47 CB CG CD OE1 OE2 -REMARK 470 LYS B 58 CB CG CD CE NZ -REMARK 470 GLU B 74 CB CG CD OE1 OE2 -REMARK 470 LYS D 4 CG CD CE NZ -REMARK 470 ARG D 16 CG CD NE CZ NH1 NH2 -REMARK 470 ILE D 19 CG1 CG2 CD1 -REMARK 470 LEU D 20 CG CD1 CD2 -REMARK 470 LYS D 53 CG CD CE NZ -REMARK 470 LYS D 54A CG CD CE NZ -REMARK 470 LYS D 71 CG CD CE NZ -REMARK 470 ILE D 114 CG1 CG2 CD1 -REMARK 470 GLN D 119 CG CD OE1 NE2 -REMARK 470 ARG D 129 CG CD NE CZ NH1 NH2 -REMARK 470 LYS D 132 CG CD CE NZ -REMARK 470 SER D 137 OG -REMARK 470 LYS D 154 CG CD CE NZ -REMARK 470 SER D 156 OG -REMARK 470 LYS D 163 CG CD CE NZ -REMARK 470 ARG D 169 CG CD NE CZ NH1 NH2 -REMARK 470 SER D 185 OG -REMARK 470 ASP D 186 CG OD1 OD2 -REMARK 470 ASN D 191 CG OD1 ND2 -REMARK 470 ASN D 194 CG OD1 ND2 -REMARK 470 PRO D 199 CG CD -REMARK 470 ASP E 26 CG OD1 OD2 -REMARK 470 GLU E 30 CG CD OE1 OE2 -REMARK 470 MET E 41 CG SD CE -REMARK 470 ARG E 78 CG CD NE CZ NH1 NH2 -REMARK 470 ASP E 119 CG OD1 OD2 -REMARK 470 LYS E 121 CG CD CE NZ -REMARK 470 GLU E 135 CG CD OE1 OE2 -REMARK 470 ILE E 138 CG1 CG2 CD1 -REMARK 470 GLN E 178 CG CD OE1 NE2 -REMARK 470 LYS E 181 CG CD CE NZ -REMARK 470 ASP E 188 CG OD1 OD2 -REMARK 470 ARG E 190 CG CD NE CZ NH1 NH2 -REMARK 470 GLU E 222 CG CD OE1 OE2 -REMARK 470 ASN E 223 CG OD1 ND2 -REMARK 470 GLU E 225 CG CD OE1 OE2 -REMARK 470 THR E 227 OG1 CG2 -REMARK 470 ASP E 229 CB CG OD1 OD2 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 ASP A 29 -133.58 60.62 -REMARK 500 LEU A 110 -60.09 -138.16 -REMARK 500 HIS A 114 109.91 -174.93 -REMARK 500 TYR A 123 -57.75 -124.75 -REMARK 500 ALA A 136 -78.74 -62.13 -REMARK 500 ASP A 137 -156.73 -102.60 -REMARK 500 LYS A 176 -66.88 -27.15 -REMARK 500 ASP A 196 34.08 -91.44 -REMARK 500 HIS A 197 -19.50 -156.47 -REMARK 500 PRO A 210 -169.36 -63.69 -REMARK 500 ASP A 220 6.83 59.21 -REMARK 500 THR A 225 -66.32 -26.86 -REMARK 500 ALA B 15 100.08 -55.02 -REMARK 500 HIS B 31 129.52 -170.85 -REMARK 500 GLU B 47 -75.68 -58.85 -REMARK 500 PHE B 70 145.29 -174.61 -REMARK 500 ARG B 97 -1.08 -59.46 -REMARK 500 SER D 7 88.41 60.31 -REMARK 500 THR D 25 -74.57 -106.26 -REMARK 500 ILE D 47 151.05 176.96 -REMARK 500 ARG D 61 -25.40 89.98 -REMARK 500 ASN D 67 75.28 -154.23 -REMARK 500 ALA D 86 172.91 177.01 -REMARK 500 GLU D 94 72.29 -118.76 -REMARK 500 ASP D 122 89.48 -162.84 -REMARK 500 ALA D 124 147.84 -179.09 -REMARK 500 SER D 146 8.61 -64.87 -REMARK 500 VAL D 150 102.73 73.67 -REMARK 500 ASN D 183 59.15 -92.00 -REMARK 500 SER D 185 -71.52 -67.82 -REMARK 500 ALA D 192 -77.99 -4.47 -REMARK 500 ASN D 195 119.35 136.76 -REMARK 500 SER D 196 91.14 47.56 -REMARK 500 PRO D 199 165.82 64.56 -REMARK 500 GLU D 200 74.11 45.48 -REMARK 500 THR D 202 172.32 -49.34 -REMARK 500 ILE E 46 -60.15 -100.80 -REMARK 500 VAL E 60 72.23 -113.92 -REMARK 500 ARG E 69 79.18 -152.07 -REMARK 500 SER E 81 100.91 -161.15 -REMARK 500 ASP E 156 16.34 -67.38 -REMARK 500 GLN E 183 72.71 -159.45 -REMARK 500 PRO E 233 49.12 -72.70 -REMARK 500 ALA E 246 73.21 -179.19 -REMARK 500 -REMARK 500 REMARK: NULL -DBREF 1BD2 A 1 275 UNP P01892 1A02_HUMAN 25 299 -DBREF 1BD2 B 1 99 UNP P61769 B2MG_HUMAN 21 119 -DBREF 1BD2 D 1 210 GB 338766 AAA60627 28 233 -DBREF 1BD2 E 1 247 GB 3002925 AAC08953 20 264 -DBREF 1BD2 C 1 9 PDB 1BD2 1BD2 1 9 -SEQADV 1BD2 ALA D 56 GB 338766 GLU 84 CONFLICT -SEQADV 1BD2 D GB 338766 LYS 119 DELETION -SEQADV 1BD2 MET D 93 GB 338766 GLY 120 CONFLICT -SEQADV 1BD2 GLU D 94 GB 338766 ALA 121 CONFLICT -SEQADV 1BD2 D GB 338766 THR 123 DELETION -SEQADV 1BD2 GLN D 102 GB 338766 SER 125 CONFLICT -SEQADV 1BD2 VAL D 105 GB 338766 THR 128 CONFLICT -SEQADV 1BD2 GLN D 108 GB 338766 THR 131 CONFLICT -SEQADV 1BD2 THR D 113 GB 338766 GLN 136 CONFLICT -SEQADV 1BD2 ILE D 114 GB 338766 VAL 137 CONFLICT -SEQADV 1BD2 ASN D 115 GB 338766 THR 138 CONFLICT -SEQADV 1BD2 PRO D 116 GB 338766 LEU 139 CONFLICT -SEQADV 1BD2 ASN D 117 GB 338766 ASP 140 CONFLICT -SEQADV 1BD2 TYR E 96 GB 3002925 PHE 114 CONFLICT -SEQADV 1BD2 GLY E 98 GB 3002925 ARG 116 CONFLICT -SEQADV 1BD2 GLY E 99 GB 3002925 GLN 117 CONFLICT -SEQADV 1BD2 GLY E 100 GB 3002925 PRO 118 CONFLICT -SEQADV 1BD2 PHE E 101 GB 3002925 SER 119 CONFLICT -SEQADV 1BD2 E GB 3002925 ASN 121 DELETION -SEQADV 1BD2 TYR E 107 GB 3002925 PHE 124 CONFLICT -SEQADV 1BD2 THR E 117 GB 3002925 LEU 134 CONFLICT -SEQADV 1BD2 ALA E 192 GB 3002925 CYS 209 CONFLICT -SEQADV 1BD2 ASP E 206 GB 3002925 ASN 223 CONFLICT -SEQRES 1 A 275 GLY SER HIS SER MET ARG TYR PHE PHE THR SER VAL SER -SEQRES 2 A 275 ARG PRO GLY ARG GLY GLU PRO ARG PHE ILE ALA VAL GLY -SEQRES 3 A 275 TYR VAL ASP ASP THR GLN PHE VAL ARG PHE ASP SER ASP -SEQRES 4 A 275 ALA ALA SER GLN ARG MET GLU PRO ARG ALA PRO TRP ILE -SEQRES 5 A 275 GLU GLN GLU GLY PRO GLU TYR TRP ASP GLY GLU THR ARG -SEQRES 6 A 275 LYS VAL LYS ALA HIS SER GLN THR HIS ARG VAL ASP LEU -SEQRES 7 A 275 GLY THR LEU ARG GLY TYR TYR ASN GLN SER GLU ALA GLY -SEQRES 8 A 275 SER HIS THR VAL GLN ARG MET TYR GLY CYS ASP VAL GLY -SEQRES 9 A 275 SER ASP TRP ARG PHE LEU ARG GLY TYR HIS GLN TYR ALA -SEQRES 10 A 275 TYR ASP GLY LYS ASP TYR ILE ALA LEU LYS GLU ASP LEU -SEQRES 11 A 275 ARG SER TRP THR ALA ALA ASP MET ALA ALA GLN THR THR -SEQRES 12 A 275 LYS HIS LYS TRP GLU ALA ALA HIS VAL ALA GLU GLN LEU -SEQRES 13 A 275 ARG ALA TYR LEU GLU GLY THR CYS VAL GLU TRP LEU ARG -SEQRES 14 A 275 ARG TYR LEU GLU ASN GLY LYS GLU THR LEU GLN ARG THR -SEQRES 15 A 275 ASP ALA PRO LYS THR HIS MET THR HIS HIS ALA VAL SER -SEQRES 16 A 275 ASP HIS GLU ALA THR LEU ARG CYS TRP ALA LEU SER PHE -SEQRES 17 A 275 TYR PRO ALA GLU ILE THR LEU THR TRP GLN ARG ASP GLY -SEQRES 18 A 275 GLU ASP GLN THR GLN ASP THR GLU LEU VAL GLU THR ARG -SEQRES 19 A 275 PRO ALA GLY ASP GLY THR PHE GLN LYS TRP ALA ALA VAL -SEQRES 20 A 275 VAL VAL PRO SER GLY GLN GLU GLN ARG TYR THR CYS HIS -SEQRES 21 A 275 VAL GLN HIS GLU GLY LEU PRO LYS PRO LEU THR LEU ARG -SEQRES 22 A 275 TRP GLU -SEQRES 1 B 100 MET ILE GLN ARG THR PRO LYS ILE GLN VAL TYR SER ARG -SEQRES 2 B 100 HIS PRO ALA GLU ASN GLY LYS SER ASN PHE LEU ASN CYS -SEQRES 3 B 100 TYR VAL SER GLY PHE HIS PRO SER ASP ILE GLU VAL ASP -SEQRES 4 B 100 LEU LEU LYS ASN GLY GLU ARG ILE GLU LYS VAL GLU HIS -SEQRES 5 B 100 SER ASP LEU SER PHE SER LYS ASP TRP SER PHE TYR LEU -SEQRES 6 B 100 LEU TYR TYR THR GLU PHE THR PRO THR GLU LYS ASP GLU -SEQRES 7 B 100 TYR ALA CYS ARG VAL ASN HIS VAL THR LEU SER GLN PRO -SEQRES 8 B 100 LYS ILE VAL LYS TRP ASP ARG ASP MET -SEQRES 1 C 9 LEU LEU PHE GLY TYR PRO VAL TYR VAL -SEQRES 1 D 204 GLN GLN VAL LYS GLN ASN SER PRO SER LEU SER VAL GLN -SEQRES 2 D 204 GLU GLY ARG ILE SER ILE LEU ASN CYS ASP TYR THR ASN -SEQRES 3 D 204 SER MET PHE ASP TYR PHE LEU TRP TYR LYS LYS TYR PRO -SEQRES 4 D 204 ALA GLU GLY PRO THR PHE LEU ILE SER ILE SER SER ILE -SEQRES 5 D 204 LYS ASP LYS ASN ALA ASP GLY ARG PHE THR VAL PHE LEU -SEQRES 6 D 204 ASN LYS SER ALA LYS HIS LEU SER LEU HIS ILE VAL PRO -SEQRES 7 D 204 SER GLN PRO GLY ASP SER ALA VAL TYR PHE CYS ALA ALA -SEQRES 8 D 204 MET GLU GLY ALA GLN LYS LEU VAL PHE GLY GLN GLY THR -SEQRES 9 D 204 ARG LEU THR ILE ASN PRO ASN ILE GLN ASN PRO ASP PRO -SEQRES 10 D 204 ALA VAL TYR GLN LEU ARG ASP SER LYS SER SER ASP LYS -SEQRES 11 D 204 SER VAL CYS LEU PHE THR ASP PHE ASP SER GLN THR ASN -SEQRES 12 D 204 VAL SER GLN SER LYS ASP SER ASP VAL TYR ILE THR ASP -SEQRES 13 D 204 LYS THR VAL LEU ASP MET ARG SER MET ASP PHE LYS SER -SEQRES 14 D 204 ASN SER ALA VAL ALA TRP SER ASN LYS SER ASP PHE ALA -SEQRES 15 D 204 CYS ALA ASN ALA PHE ASN ASN SER ILE ILE PRO GLU ASP -SEQRES 16 D 204 THR PHE PHE PRO SER PRO GLU SER SER -SEQRES 1 E 244 ASN ALA GLY VAL THR GLN THR PRO LYS PHE GLN VAL LEU -SEQRES 2 E 244 LYS THR GLY GLN SER MET THR LEU GLN CYS ALA GLN ASP -SEQRES 3 E 244 MET ASN HIS GLU TYR MET SER TRP TYR ARG GLN ASP PRO -SEQRES 4 E 244 GLY MET GLY LEU ARG LEU ILE HIS TYR SER VAL GLY ALA -SEQRES 5 E 244 GLY ILE THR ASP GLN GLY GLU VAL PRO ASN GLY TYR ASN -SEQRES 6 E 244 VAL SER ARG SER THR THR GLU ASP PHE PRO LEU ARG LEU -SEQRES 7 E 244 LEU SER ALA ALA PRO SER GLN THR SER VAL TYR PHE CYS -SEQRES 8 E 244 ALA SER SER TYR PRO GLY GLY GLY PHE TYR GLU GLN TYR -SEQRES 9 E 244 PHE GLY PRO GLY THR ARG LEU THR VAL THR GLU ASP LEU -SEQRES 10 E 244 LYS ASN VAL PHE PRO PRO GLU VAL ALA VAL PHE GLU PRO -SEQRES 11 E 244 SER GLU ALA GLU ILE SER HIS THR GLN LYS ALA THR LEU -SEQRES 12 E 244 VAL CYS LEU ALA THR GLY PHE TYR PRO ASP HIS VAL GLU -SEQRES 13 E 244 LEU SER TRP TRP VAL ASN GLY LYS GLU VAL HIS SER GLY -SEQRES 14 E 244 VAL SER THR ASP PRO GLN PRO LEU LYS GLU GLN PRO ALA -SEQRES 15 E 244 LEU ASN ASP SER ARG TYR ALA LEU SER SER ARG LEU ARG -SEQRES 16 E 244 VAL SER ALA THR PHE TRP GLN ASP PRO ARG ASN HIS PHE -SEQRES 17 E 244 ARG CYS GLN VAL GLN PHE TYR GLY LEU SER GLU ASN ASP -SEQRES 18 E 244 GLU TRP THR GLN ASP ARG ALA LYS PRO VAL THR GLN ILE -SEQRES 19 E 244 VAL SER ALA GLU ALA TRP GLY ARG ALA ASP -FORMUL 6 HOH *39(H2 O) -HELIX 1 1 PRO A 57 TYR A 85 1 29 -HELIX 2 2 MET A 138 ALA A 149 1 12 -HELIX 3 3 VAL A 152 GLU A 161 1 10 -HELIX 4 4 THR A 163 ASN A 174 1 12 -HELIX 5 5 LYS A 176 LEU A 179 1 4 -HELIX 6 6 THR A 225 ASP A 227 5 3 -HELIX 7 7 GLN A 253 ARG A 256 5 4 -HELIX 8 8 PRO D 82 ASP D 84 5 3 -HELIX 9 9 CYS D 189 ALA D 192 1 4 -HELIX 10 10 PRO E 84 GLN E 86 5 3 -HELIX 11 11 PRO E 97 GLY E 99 5 3 -HELIX 12 12 LEU E 120 ASN E 122 5 3 -HELIX 13 13 GLU E 135 THR E 141 1 7 -HELIX 14 14 ALA E 201 TRP E 204 1 4 -SHEET 1 A 7 THR A 31 ASP A 37 0 -SHEET 2 A 7 ARG A 21 VAL A 28 -1 N VAL A 28 O THR A 31 -SHEET 3 A 7 HIS A 3 VAL A 12 -1 N VAL A 12 O ARG A 21 -SHEET 4 A 7 THR A 94 VAL A 103 -1 N VAL A 103 O HIS A 3 -SHEET 5 A 7 PHE A 109 TYR A 118 -1 N ALA A 117 O GLN A 96 -SHEET 6 A 7 LYS A 121 LEU A 126 -1 N ILE A 124 O TYR A 116 -SHEET 7 A 7 TRP A 133 ALA A 135 -1 N THR A 134 O ALA A 125 -SHEET 1 B 4 LYS A 186 HIS A 192 0 -SHEET 2 B 4 GLU A 198 LEU A 206 -1 N LEU A 206 O LYS A 186 -SHEET 3 B 4 LYS A 243 PRO A 250 -1 N VAL A 249 O ALA A 199 -SHEET 4 B 4 THR A 228 LEU A 230 -1 N GLU A 229 O ALA A 246 -SHEET 1 C 3 THR A 214 ARG A 219 0 -SHEET 2 C 3 TYR A 257 GLN A 262 -1 N GLN A 262 O THR A 214 -SHEET 3 C 3 LEU A 270 ARG A 273 -1 N LEU A 272 O CYS A 259 -SHEET 1 D 3 LYS B 6 SER B 11 0 -SHEET 2 D 3 SER B 20 SER B 28 -1 N SER B 28 O LYS B 6 -SHEET 3 D 3 LEU B 64 THR B 71 -1 N PHE B 70 O ASN B 21 -SHEET 1 E 3 GLU B 36 LYS B 41 0 -SHEET 2 E 3 TYR B 78 ASN B 83 -1 N ASN B 83 O GLU B 36 -SHEET 3 E 3 LYS B 91 LYS B 94 -1 N VAL B 93 O CYS B 80 -SHEET 1 F 5 SER D 9 GLN D 13 0 -SHEET 2 F 5 THR D 110 ASN D 115 1 N ARG D 111 O LEU D 10 -SHEET 3 F 5 ALA D 86 MET D 93 -1 N TYR D 88 O THR D 110 -SHEET 4 F 5 TYR D 31 LYS D 37 -1 N LYS D 37 O VAL D 87 -SHEET 5 F 5 PRO D 43 SER D 50 -1 N ILE D 49 O PHE D 32 -SHEET 1 G 4 SER D 18 ASP D 23 0 -SHEET 2 G 4 HIS D 72 ILE D 77 -1 N ILE D 77 O SER D 18 -SHEET 3 G 4 PHE D 62 ASN D 67 -1 N ASN D 67 O HIS D 72 -SHEET 4 G 4 LYS D 54A ASP D 57 -1 N ASP D 57 O PHE D 62 -SHEET 1 H 2 ALA D 91 MET D 93 0 -SHEET 2 H 2 LEU D 104 PHE D 106 -1 N VAL D 105 O ALA D 92 -SHEET 1 I 4 ALA D 124 LEU D 128 0 -SHEET 2 I 4 VAL D 138 THR D 142 -1 N THR D 142 O ALA D 124 -SHEET 3 I 4 LYS D 174 TRP D 181 -1 N ALA D 180 O CYS D 139 -SHEET 4 I 4 THR D 164 ASP D 167 -1 N LEU D 166 O SER D 175 -SHEET 1 J 2 VAL E 4 THR E 7 0 -SHEET 2 J 2 GLN E 22 GLN E 25 -1 N ALA E 24 O THR E 5 -SHEET 1 K 5 PHE E 10 LYS E 14 0 -SHEET 2 K 5 THR E 112 THR E 117 1 N ARG E 113 O GLN E 11 -SHEET 3 K 5 SER E 88 SER E 95 -1 N TYR E 90 O THR E 112 -SHEET 4 K 5 TYR E 31 GLN E 37 -1 N GLN E 37 O VAL E 89 -SHEET 5 K 5 LEU E 43 SER E 49 -1 N SER E 49 O MET E 32 -SHEET 1 L 3 MET E 19 LEU E 21 0 -SHEET 2 L 3 LEU E 77 LEU E 79 -1 N LEU E 79 O MET E 19 -SHEET 3 L 3 TYR E 65 VAL E 67 -1 N ASN E 66 O ARG E 78 -SHEET 1 M 4 GLU E 127 PHE E 131 0 -SHEET 2 M 4 LYS E 143 PHE E 153 -1 N THR E 151 O GLU E 127 -SHEET 3 M 4 TYR E 191 SER E 200 -1 N VAL E 199 O ALA E 144 -SHEET 4 M 4 VAL E 173 THR E 175 -1 N SER E 174 O ARG E 196 -SHEET 1 N 4 LYS E 167 VAL E 169 0 -SHEET 2 N 4 VAL E 158 VAL E 164 -1 N VAL E 164 O LYS E 167 -SHEET 3 N 4 HIS E 210 PHE E 217 -1 N GLN E 216 O GLU E 159 -SHEET 4 N 4 GLN E 236 TRP E 243 -1 N ALA E 242 O PHE E 211 -SSBOND 1 CYS A 101 CYS A 164 1555 1555 2.05 -SSBOND 2 CYS A 203 CYS A 259 1555 1555 2.03 -SSBOND 3 CYS B 25 CYS B 80 1555 1555 2.04 -SSBOND 4 CYS D 22 CYS D 90 1555 1555 2.03 -SSBOND 5 CYS D 139 CYS D 189 1555 1555 2.03 -SSBOND 6 CYS E 23 CYS E 92 1555 1555 2.01 -SSBOND 7 CYS E 148 CYS E 213 1555 1555 2.02 -CISPEP 1 TYR A 209 PRO A 210 0 -2.04 -CISPEP 2 HIS B 31 PRO B 32 0 0.81 -CISPEP 3 VAL D 78 PRO D 79 0 0.05 -CISPEP 4 THR E 7 PRO E 8 0 -0.17 -CISPEP 5 TYR E 154 PRO E 155 0 -1.59 -CRYST1 63.800 73.300 217.700 90.00 90.00 90.00 P 21 21 21 4 -ORIGX1 1.000000 0.000000 0.000000 0.00000 -ORIGX2 0.000000 1.000000 0.000000 0.00000 -ORIGX3 0.000000 0.000000 1.000000 0.00000 -SCALE1 0.015674 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.013643 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.004593 0.00000 -ATOM 1 N GLY A 1 4.928 25.601 53.716 1.00 56.47 N -ATOM 2 CA GLY A 1 5.455 26.959 54.016 1.00 60.73 C -ATOM 3 C GLY A 1 5.535 27.793 52.755 1.00 59.90 C -ATOM 4 O GLY A 1 5.308 27.269 51.657 1.00 61.33 O -ATOM 5 N SER A 2 5.860 29.077 52.911 1.00 56.73 N -ATOM 6 CA SER A 2 5.995 30.004 51.788 1.00 51.69 C -ATOM 7 C SER A 2 6.992 29.502 50.749 1.00 48.65 C -ATOM 8 O SER A 2 7.835 28.649 51.041 1.00 47.19 O -ATOM 9 CB SER A 2 6.453 31.384 52.275 1.00 50.43 C -ATOM 10 OG SER A 2 5.512 31.967 53.155 1.00 55.79 O -ATOM 11 N HIS A 3 6.895 30.042 49.539 1.00 45.13 N -ATOM 12 CA HIS A 3 7.780 29.679 48.439 1.00 40.71 C -ATOM 13 C HIS A 3 7.899 30.864 47.505 1.00 39.80 C -ATOM 14 O HIS A 3 7.110 31.810 47.572 1.00 40.77 O -ATOM 15 CB HIS A 3 7.251 28.459 47.677 1.00 39.18 C -ATOM 16 CG HIS A 3 7.404 27.167 48.422 1.00 43.37 C -ATOM 17 ND1 HIS A 3 8.620 26.711 48.890 1.00 37.60 N -ATOM 18 CD2 HIS A 3 6.489 26.238 48.795 1.00 41.98 C -ATOM 19 CE1 HIS A 3 8.449 25.561 49.518 1.00 36.06 C -ATOM 20 NE2 HIS A 3 7.163 25.253 49.473 1.00 36.24 N -ATOM 21 N SER A 4 8.909 30.833 46.653 1.00 38.79 N -ATOM 22 CA SER A 4 9.109 31.919 45.717 1.00 41.46 C -ATOM 23 C SER A 4 9.952 31.530 44.500 1.00 39.36 C -ATOM 24 O SER A 4 10.726 30.565 44.552 1.00 36.13 O -ATOM 25 CB SER A 4 9.714 33.128 46.444 1.00 37.84 C -ATOM 26 OG SER A 4 10.847 32.800 47.230 1.00 49.59 O -ATOM 27 N MET A 5 9.717 32.225 43.385 1.00 36.57 N -ATOM 28 CA MET A 5 10.468 32.011 42.151 1.00 31.53 C -ATOM 29 C MET A 5 10.976 33.378 41.757 1.00 27.14 C -ATOM 30 O MET A 5 10.224 34.353 41.806 1.00 19.97 O -ATOM 31 CB MET A 5 9.591 31.450 41.035 1.00 32.82 C -ATOM 32 CG MET A 5 10.329 31.314 39.698 1.00 26.96 C -ATOM 33 SD MET A 5 9.332 30.444 38.518 1.00 29.68 S -ATOM 34 CE MET A 5 8.114 31.698 38.167 1.00 34.15 C -ATOM 35 N ARG A 6 12.250 33.443 41.379 1.00 29.74 N -ATOM 36 CA ARG A 6 12.889 34.703 41.001 1.00 35.75 C -ATOM 37 C ARG A 6 13.873 34.571 39.834 1.00 30.84 C -ATOM 38 O ARG A 6 14.600 33.581 39.735 1.00 27.26 O -ATOM 39 CB ARG A 6 13.662 35.273 42.196 1.00 45.61 C -ATOM 40 CG ARG A 6 12.908 35.314 43.511 1.00 53.13 C -ATOM 41 CD ARG A 6 11.708 36.211 43.399 1.00 63.76 C -ATOM 42 NE ARG A 6 11.759 37.299 44.360 1.00 68.82 N -ATOM 43 CZ ARG A 6 10.741 37.649 45.128 1.00 66.63 C -ATOM 44 NH1 ARG A 6 9.585 37.005 45.042 1.00 67.01 N -ATOM 45 NH2 ARG A 6 10.893 38.629 45.998 1.00 70.05 N -ATOM 46 N TYR A 7 13.904 35.579 38.960 1.00 29.83 N -ATOM 47 CA TYR A 7 14.833 35.594 37.823 1.00 23.63 C -ATOM 48 C TYR A 7 15.732 36.813 37.972 1.00 22.43 C -ATOM 49 O TYR A 7 15.264 37.891 38.360 1.00 23.14 O -ATOM 50 CB TYR A 7 14.083 35.653 36.497 1.00 16.86 C -ATOM 51 CG TYR A 7 13.361 34.372 36.113 1.00 9.18 C -ATOM 52 CD1 TYR A 7 14.024 33.362 35.415 1.00 10.95 C -ATOM 53 CD2 TYR A 7 12.000 34.214 36.358 1.00 13.60 C -ATOM 54 CE1 TYR A 7 13.360 32.235 34.965 1.00 4.61 C -ATOM 55 CE2 TYR A 7 11.323 33.091 35.907 1.00 14.71 C -ATOM 56 CZ TYR A 7 12.015 32.108 35.205 1.00 13.70 C -ATOM 57 OH TYR A 7 11.332 31.014 34.723 1.00 19.56 O -ATOM 58 N PHE A 8 17.023 36.626 37.707 1.00 22.00 N -ATOM 59 CA PHE A 8 18.019 37.690 37.838 1.00 23.04 C -ATOM 60 C PHE A 8 18.773 37.812 36.531 1.00 23.46 C -ATOM 61 O PHE A 8 19.397 36.843 36.104 1.00 29.40 O -ATOM 62 CB PHE A 8 19.046 37.348 38.940 1.00 24.06 C -ATOM 63 CG PHE A 8 18.437 37.081 40.292 1.00 21.21 C -ATOM 64 CD1 PHE A 8 17.712 35.910 40.528 1.00 23.44 C -ATOM 65 CD2 PHE A 8 18.557 38.014 41.312 1.00 21.82 C -ATOM 66 CE1 PHE A 8 17.107 35.675 41.738 1.00 18.38 C -ATOM 67 CE2 PHE A 8 17.954 37.792 42.537 1.00 22.16 C -ATOM 68 CZ PHE A 8 17.225 36.616 42.750 1.00 21.60 C -ATOM 69 N PHE A 9 18.769 39.006 35.938 1.00 22.03 N -ATOM 70 CA PHE A 9 19.452 39.264 34.668 1.00 16.03 C -ATOM 71 C PHE A 9 20.526 40.343 34.834 1.00 14.50 C -ATOM 72 O PHE A 9 20.271 41.409 35.407 1.00 16.26 O -ATOM 73 CB PHE A 9 18.444 39.719 33.591 1.00 14.57 C -ATOM 74 CG PHE A 9 17.182 38.907 33.551 1.00 5.50 C -ATOM 75 CD1 PHE A 9 16.102 39.252 34.347 1.00 7.30 C -ATOM 76 CD2 PHE A 9 17.095 37.768 32.765 1.00 7.34 C -ATOM 77 CE1 PHE A 9 14.940 38.466 34.377 1.00 11.31 C -ATOM 78 CE2 PHE A 9 15.941 36.971 32.781 1.00 11.82 C -ATOM 79 CZ PHE A 9 14.860 37.325 33.594 1.00 11.17 C -ATOM 80 N THR A 10 21.704 40.098 34.277 1.00 16.39 N -ATOM 81 CA THR A 10 22.802 41.053 34.351 1.00 19.16 C -ATOM 82 C THR A 10 23.370 41.301 32.960 1.00 19.42 C -ATOM 83 O THR A 10 23.746 40.353 32.286 1.00 21.21 O -ATOM 84 CB THR A 10 23.968 40.493 35.153 1.00 24.53 C -ATOM 85 OG1 THR A 10 23.483 39.882 36.359 1.00 26.59 O -ATOM 86 CG2 THR A 10 24.989 41.603 35.440 1.00 17.04 C -ATOM 87 N SER A 11 23.486 42.563 32.560 1.00 20.30 N -ATOM 88 CA SER A 11 24.042 42.898 31.256 1.00 22.34 C -ATOM 89 C SER A 11 25.107 43.970 31.458 1.00 24.84 C -ATOM 90 O SER A 11 24.810 45.040 31.987 1.00 30.15 O -ATOM 91 CB SER A 11 22.947 43.428 30.333 1.00 24.62 C -ATOM 92 OG SER A 11 21.802 42.590 30.342 1.00 34.40 O -ATOM 93 N VAL A 12 26.340 43.681 31.049 1.00 23.53 N -ATOM 94 CA VAL A 12 27.453 44.626 31.192 1.00 23.03 C -ATOM 95 C VAL A 12 27.963 44.977 29.803 1.00 24.70 C -ATOM 96 O VAL A 12 28.375 44.085 29.063 1.00 26.12 O -ATOM 97 CB VAL A 12 28.609 43.987 31.995 1.00 18.38 C -ATOM 98 CG1 VAL A 12 29.717 44.988 32.223 1.00 12.47 C -ATOM 99 CG2 VAL A 12 28.086 43.433 33.310 1.00 16.08 C -ATOM 100 N SER A 13 27.933 46.257 29.438 1.00 26.57 N -ATOM 101 CA SER A 13 28.386 46.643 28.108 1.00 29.56 C -ATOM 102 C SER A 13 29.875 46.457 27.952 1.00 35.03 C -ATOM 103 O SER A 13 30.624 46.593 28.912 1.00 42.26 O -ATOM 104 CB SER A 13 27.995 48.081 27.778 1.00 26.98 C -ATOM 105 OG SER A 13 28.518 48.984 28.720 1.00 31.08 O -ATOM 106 N ARG A 14 30.289 46.094 26.745 1.00 42.39 N -ATOM 107 CA ARG A 14 31.698 45.888 26.428 1.00 44.38 C -ATOM 108 C ARG A 14 32.098 46.815 25.270 1.00 50.05 C -ATOM 109 O ARG A 14 32.376 46.340 24.166 1.00 53.69 O -ATOM 110 CB ARG A 14 31.954 44.427 26.022 1.00 44.62 C -ATOM 111 CG ARG A 14 31.972 43.409 27.159 1.00 45.50 C -ATOM 112 CD ARG A 14 32.425 42.022 26.673 1.00 43.56 C -ATOM 113 NE ARG A 14 31.427 41.352 25.843 1.00 43.48 N -ATOM 114 CZ ARG A 14 31.033 40.089 26.015 1.00 48.73 C -ATOM 115 NH1 ARG A 14 31.561 39.350 26.983 1.00 49.25 N -ATOM 116 NH2 ARG A 14 30.074 39.574 25.252 1.00 48.46 N -ATOM 117 N PRO A 15 32.114 48.145 25.489 1.00 51.51 N -ATOM 118 CA PRO A 15 32.486 49.094 24.439 1.00 52.13 C -ATOM 119 C PRO A 15 33.784 48.666 23.761 1.00 56.74 C -ATOM 120 O PRO A 15 34.807 48.461 24.425 1.00 59.25 O -ATOM 121 CB PRO A 15 32.652 50.397 25.206 1.00 49.56 C -ATOM 122 CG PRO A 15 31.610 50.279 26.240 1.00 51.03 C -ATOM 123 CD PRO A 15 31.828 48.876 26.742 1.00 54.88 C -ATOM 124 N GLY A 16 33.718 48.488 22.446 1.00 57.42 N -ATOM 125 CA GLY A 16 34.878 48.057 21.695 1.00 53.72 C -ATOM 126 C GLY A 16 34.950 46.547 21.740 1.00 53.83 C -ATOM 127 O GLY A 16 34.641 45.887 20.750 1.00 57.53 O -ATOM 128 N ARG A 17 35.217 46.008 22.928 1.00 51.55 N -ATOM 129 CA ARG A 17 35.343 44.570 23.110 1.00 48.60 C -ATOM 130 C ARG A 17 34.237 43.654 22.601 1.00 49.46 C -ATOM 131 O ARG A 17 34.409 42.440 22.596 1.00 52.87 O -ATOM 132 N GLY A 18 33.101 44.202 22.191 1.00 50.17 N -ATOM 133 CA GLY A 18 32.030 43.353 21.700 1.00 47.25 C -ATOM 134 C GLY A 18 30.674 43.640 22.318 1.00 51.51 C -ATOM 135 O GLY A 18 30.496 44.607 23.073 1.00 53.39 O -ATOM 136 N GLU A 19 29.703 42.793 21.997 1.00 49.26 N -ATOM 137 CA GLU A 19 28.355 42.949 22.523 1.00 49.09 C -ATOM 138 C GLU A 19 28.302 42.742 24.031 1.00 47.80 C -ATOM 139 O GLU A 19 29.114 42.013 24.592 1.00 53.14 O -ATOM 140 CB GLU A 19 27.411 41.974 21.828 1.00 51.79 C -ATOM 141 CG GLU A 19 27.162 42.330 20.370 1.00 62.99 C -ATOM 142 CD GLU A 19 26.483 43.690 20.196 1.00 69.06 C -ATOM 143 OE1 GLU A 19 27.171 44.742 20.199 1.00 67.63 O -ATOM 144 OE2 GLU A 19 25.245 43.700 20.045 1.00 72.50 O -ATOM 145 N PRO A 20 27.376 43.409 24.718 1.00 41.81 N -ATOM 146 CA PRO A 20 27.296 43.232 26.163 1.00 36.55 C -ATOM 147 C PRO A 20 27.115 41.785 26.656 1.00 37.94 C -ATOM 148 O PRO A 20 26.358 41.000 26.074 1.00 41.17 O -ATOM 149 CB PRO A 20 26.109 44.120 26.553 1.00 38.30 C -ATOM 150 CG PRO A 20 25.341 44.311 25.269 1.00 34.04 C -ATOM 151 CD PRO A 20 26.433 44.453 24.269 1.00 38.07 C -ATOM 152 N ARG A 21 27.833 41.455 27.730 1.00 40.05 N -ATOM 153 CA ARG A 21 27.775 40.150 28.395 1.00 33.33 C -ATOM 154 C ARG A 21 26.432 40.091 29.111 1.00 31.91 C -ATOM 155 O ARG A 21 26.098 40.989 29.886 1.00 35.32 O -ATOM 156 CB ARG A 21 28.897 40.058 29.430 1.00 37.85 C -ATOM 157 CG ARG A 21 28.866 38.828 30.347 1.00 40.51 C -ATOM 158 CD ARG A 21 29.230 37.570 29.596 1.00 38.75 C -ATOM 159 NE ARG A 21 29.416 36.407 30.460 1.00 34.99 N -ATOM 160 CZ ARG A 21 30.569 36.071 31.036 1.00 37.74 C -ATOM 161 NH1 ARG A 21 31.652 36.822 30.860 1.00 32.65 N -ATOM 162 NH2 ARG A 21 30.657 34.928 31.715 1.00 32.38 N -ATOM 163 N PHE A 22 25.683 39.025 28.880 1.00 27.20 N -ATOM 164 CA PHE A 22 24.368 38.873 29.479 1.00 20.19 C -ATOM 165 C PHE A 22 24.239 37.529 30.159 1.00 19.55 C -ATOM 166 O PHE A 22 24.464 36.495 29.527 1.00 23.56 O -ATOM 167 CB PHE A 22 23.294 38.989 28.384 1.00 20.50 C -ATOM 168 CG PHE A 22 21.897 38.679 28.854 1.00 18.82 C -ATOM 169 CD1 PHE A 22 21.182 39.599 29.610 1.00 13.47 C -ATOM 170 CD2 PHE A 22 21.299 37.458 28.550 1.00 18.96 C -ATOM 171 CE1 PHE A 22 19.904 39.307 30.057 1.00 15.08 C -ATOM 172 CE2 PHE A 22 20.002 37.153 29.000 1.00 12.72 C -ATOM 173 CZ PHE A 22 19.311 38.076 29.750 1.00 13.06 C -ATOM 174 N ILE A 23 23.907 37.537 31.447 1.00 18.07 N -ATOM 175 CA ILE A 23 23.695 36.287 32.180 1.00 15.65 C -ATOM 176 C ILE A 23 22.308 36.336 32.762 1.00 14.04 C -ATOM 177 O ILE A 23 21.881 37.390 33.236 1.00 20.07 O -ATOM 178 CB ILE A 23 24.633 36.115 33.357 1.00 16.38 C -ATOM 179 CG1 ILE A 23 26.075 36.376 32.934 1.00 17.20 C -ATOM 180 CG2 ILE A 23 24.445 34.717 33.942 1.00 15.36 C -ATOM 181 CD1 ILE A 23 26.963 35.158 32.995 1.00 21.90 C -ATOM 182 N ALA A 24 21.595 35.221 32.725 1.00 11.52 N -ATOM 183 CA ALA A 24 20.253 35.186 33.278 1.00 12.55 C -ATOM 184 C ALA A 24 20.118 33.894 34.022 1.00 20.69 C -ATOM 185 O ALA A 24 20.422 32.840 33.465 1.00 23.59 O -ATOM 186 CB ALA A 24 19.232 35.255 32.201 1.00 14.51 C -ATOM 187 N VAL A 25 19.666 33.974 35.274 1.00 18.90 N -ATOM 188 CA VAL A 25 19.497 32.802 36.122 1.00 15.98 C -ATOM 189 C VAL A 25 18.157 32.874 36.809 1.00 10.42 C -ATOM 190 O VAL A 25 17.650 33.957 37.082 1.00 15.26 O -ATOM 191 CB VAL A 25 20.584 32.748 37.198 1.00 20.49 C -ATOM 192 CG1 VAL A 25 21.969 32.764 36.551 1.00 15.56 C -ATOM 193 CG2 VAL A 25 20.435 33.924 38.136 1.00 23.96 C -ATOM 194 N GLY A 26 17.575 31.719 37.069 1.00 8.43 N -ATOM 195 CA GLY A 26 16.280 31.672 37.722 1.00 16.15 C -ATOM 196 C GLY A 26 16.376 30.751 38.921 1.00 20.96 C -ATOM 197 O GLY A 26 17.091 29.738 38.871 1.00 22.37 O -ATOM 198 N TYR A 27 15.646 31.077 39.985 1.00 23.00 N -ATOM 199 CA TYR A 27 15.677 30.303 41.219 1.00 17.59 C -ATOM 200 C TYR A 27 14.298 30.033 41.750 1.00 18.26 C -ATOM 201 O TYR A 27 13.381 30.826 41.544 1.00 22.25 O -ATOM 202 CB TYR A 27 16.387 31.097 42.312 1.00 12.68 C -ATOM 203 CG TYR A 27 17.889 31.252 42.200 1.00 18.20 C -ATOM 204 CD1 TYR A 27 18.742 30.341 42.811 1.00 20.67 C -ATOM 205 CD2 TYR A 27 18.456 32.359 41.574 1.00 18.42 C -ATOM 206 CE1 TYR A 27 20.119 30.522 42.813 1.00 22.25 C -ATOM 207 CE2 TYR A 27 19.843 32.554 41.570 1.00 21.04 C -ATOM 208 CZ TYR A 27 20.667 31.626 42.198 1.00 28.81 C -ATOM 209 OH TYR A 27 22.042 31.795 42.228 1.00 35.88 O -ATOM 210 N VAL A 28 14.130 28.869 42.355 1.00 22.92 N -ATOM 211 CA VAL A 28 12.886 28.550 43.049 1.00 28.30 C -ATOM 212 C VAL A 28 13.475 28.444 44.455 1.00 29.54 C -ATOM 213 O VAL A 28 14.344 27.602 44.697 1.00 29.29 O -ATOM 214 CB VAL A 28 12.267 27.221 42.640 1.00 30.35 C -ATOM 215 CG1 VAL A 28 11.057 26.923 43.526 1.00 29.77 C -ATOM 216 CG2 VAL A 28 11.821 27.290 41.211 1.00 36.57 C -ATOM 217 N ASP A 29 13.102 29.375 45.331 1.00 32.00 N -ATOM 218 CA ASP A 29 13.633 29.444 46.693 1.00 33.96 C -ATOM 219 C ASP A 29 15.147 29.648 46.553 1.00 35.29 C -ATOM 220 O ASP A 29 15.578 30.446 45.726 1.00 34.84 O -ATOM 221 CB ASP A 29 13.300 28.183 47.519 1.00 34.44 C -ATOM 222 CG ASP A 29 11.831 28.080 47.874 1.00 30.08 C -ATOM 223 OD1 ASP A 29 11.179 29.135 47.998 1.00 34.17 O -ATOM 224 OD2 ASP A 29 11.330 26.944 48.041 1.00 26.25 O -ATOM 225 N ASP A 30 15.950 28.895 47.302 1.00 40.57 N -ATOM 226 CA ASP A 30 17.405 29.033 47.241 1.00 37.32 C -ATOM 227 C ASP A 30 18.081 28.092 46.239 1.00 34.93 C -ATOM 228 O ASP A 30 19.313 27.993 46.198 1.00 29.46 O -ATOM 229 CB ASP A 30 18.001 28.870 48.643 1.00 40.56 C -ATOM 230 CG ASP A 30 17.486 29.928 49.625 1.00 49.56 C -ATOM 231 OD1 ASP A 30 17.520 31.129 49.278 1.00 51.86 O -ATOM 232 OD2 ASP A 30 17.038 29.565 50.737 1.00 47.57 O -ATOM 233 N THR A 31 17.275 27.438 45.407 1.00 34.99 N -ATOM 234 CA THR A 31 17.787 26.510 44.394 1.00 40.46 C -ATOM 235 C THR A 31 17.714 27.108 42.989 1.00 41.06 C -ATOM 236 O THR A 31 16.632 27.504 42.535 1.00 44.58 O -ATOM 237 CB THR A 31 16.982 25.183 44.391 1.00 43.01 C -ATOM 238 OG1 THR A 31 17.063 24.570 45.686 1.00 52.83 O -ATOM 239 CG2 THR A 31 17.527 24.210 43.333 1.00 44.63 C -ATOM 240 N GLN A 32 18.860 27.179 42.310 1.00 37.51 N -ATOM 241 CA GLN A 32 18.929 27.698 40.944 1.00 36.53 C -ATOM 242 C GLN A 32 18.428 26.572 40.050 1.00 37.64 C -ATOM 243 O GLN A 32 18.769 25.410 40.287 1.00 40.58 O -ATOM 244 CB GLN A 32 20.377 28.041 40.574 1.00 38.36 C -ATOM 245 CG GLN A 32 20.532 28.857 39.286 1.00 42.36 C -ATOM 246 CD GLN A 32 21.960 28.852 38.701 1.00 41.79 C -ATOM 247 OE1 GLN A 32 22.928 28.445 39.346 1.00 40.63 O -ATOM 248 NE2 GLN A 32 22.077 29.295 37.460 1.00 42.96 N -ATOM 249 N PHE A 33 17.576 26.889 39.076 1.00 36.33 N -ATOM 250 CA PHE A 33 17.068 25.844 38.187 1.00 35.51 C -ATOM 251 C PHE A 33 17.341 25.998 36.690 1.00 35.42 C -ATOM 252 O PHE A 33 17.452 24.988 35.986 1.00 36.39 O -ATOM 253 CB PHE A 33 15.587 25.541 38.437 1.00 25.06 C -ATOM 254 CG PHE A 33 14.650 26.663 38.096 1.00 32.16 C -ATOM 255 CD1 PHE A 33 14.749 27.899 38.721 1.00 36.50 C -ATOM 256 CD2 PHE A 33 13.614 26.459 37.200 1.00 29.79 C -ATOM 257 CE1 PHE A 33 13.821 28.912 38.458 1.00 31.40 C -ATOM 258 CE2 PHE A 33 12.690 27.465 36.935 1.00 23.87 C -ATOM 259 CZ PHE A 33 12.792 28.688 37.565 1.00 23.38 C -ATOM 260 N VAL A 34 17.427 27.239 36.203 1.00 30.95 N -ATOM 261 CA VAL A 34 17.699 27.498 34.787 1.00 25.15 C -ATOM 262 C VAL A 34 18.741 28.591 34.619 1.00 22.93 C -ATOM 263 O VAL A 34 18.996 29.365 35.545 1.00 17.79 O -ATOM 264 CB VAL A 34 16.411 27.865 33.962 1.00 23.77 C -ATOM 265 CG1 VAL A 34 15.442 26.678 33.905 1.00 19.68 C -ATOM 266 CG2 VAL A 34 15.722 29.119 34.518 1.00 21.35 C -ATOM 267 N ARG A 35 19.363 28.633 33.444 1.00 26.65 N -ATOM 268 CA ARG A 35 20.378 29.636 33.163 1.00 28.90 C -ATOM 269 C ARG A 35 20.497 29.986 31.683 1.00 28.02 C -ATOM 270 O ARG A 35 19.862 29.372 30.827 1.00 32.32 O -ATOM 271 CB ARG A 35 21.747 29.197 33.712 1.00 32.70 C -ATOM 272 CG ARG A 35 22.521 28.222 32.849 1.00 29.88 C -ATOM 273 CD ARG A 35 23.859 28.813 32.453 1.00 41.92 C -ATOM 274 NE ARG A 35 24.652 27.881 31.654 1.00 58.32 N -ATOM 275 CZ ARG A 35 25.706 27.202 32.103 1.00 64.57 C -ATOM 276 NH1 ARG A 35 26.117 27.350 33.356 1.00 72.71 N -ATOM 277 NH2 ARG A 35 26.326 26.334 31.310 1.00 65.94 N -ATOM 278 N PHE A 36 21.306 31.002 31.409 1.00 24.55 N -ATOM 279 CA PHE A 36 21.567 31.490 30.069 1.00 20.61 C -ATOM 280 C PHE A 36 22.727 32.458 30.147 1.00 15.72 C -ATOM 281 O PHE A 36 22.738 33.359 30.973 1.00 22.24 O -ATOM 282 CB PHE A 36 20.349 32.220 29.463 1.00 25.29 C -ATOM 283 CG PHE A 36 20.592 32.731 28.062 1.00 29.57 C -ATOM 284 CD1 PHE A 36 21.223 33.952 27.854 1.00 29.54 C -ATOM 285 CD2 PHE A 36 20.308 31.936 26.957 1.00 30.17 C -ATOM 286 CE1 PHE A 36 21.579 34.362 26.578 1.00 29.80 C -ATOM 287 CE2 PHE A 36 20.663 32.347 25.676 1.00 28.38 C -ATOM 288 CZ PHE A 36 21.301 33.559 25.491 1.00 24.32 C -ATOM 289 N ASP A 37 23.665 32.301 29.228 1.00 23.18 N -ATOM 290 CA ASP A 37 24.837 33.148 29.145 1.00 21.15 C -ATOM 291 C ASP A 37 25.169 33.392 27.683 1.00 28.21 C -ATOM 292 O ASP A 37 25.277 32.449 26.883 1.00 25.82 O -ATOM 293 CB ASP A 37 26.024 32.476 29.819 1.00 26.51 C -ATOM 294 CG ASP A 37 27.247 33.353 29.841 1.00 28.93 C -ATOM 295 OD1 ASP A 37 27.112 34.587 29.718 1.00 30.72 O -ATOM 296 OD2 ASP A 37 28.354 32.810 30.000 1.00 39.78 O -ATOM 297 N SER A 38 25.303 34.669 27.346 1.00 29.99 N -ATOM 298 CA SER A 38 25.627 35.104 25.999 1.00 26.96 C -ATOM 299 C SER A 38 26.985 34.587 25.518 1.00 29.42 C -ATOM 300 O SER A 38 27.174 34.355 24.324 1.00 37.57 O -ATOM 301 CB SER A 38 25.585 36.637 25.921 1.00 27.82 C -ATOM 302 OG SER A 38 26.576 37.239 26.738 1.00 29.18 O -ATOM 303 N ASP A 39 27.940 34.446 26.430 1.00 30.58 N -ATOM 304 CA ASP A 39 29.269 33.954 26.065 1.00 29.36 C -ATOM 305 C ASP A 39 29.406 32.428 26.103 1.00 32.42 C -ATOM 306 O ASP A 39 30.497 31.892 25.936 1.00 30.64 O -ATOM 307 CB ASP A 39 30.354 34.626 26.913 1.00 29.36 C -ATOM 308 CG ASP A 39 30.565 36.104 26.544 1.00 37.38 C -ATOM 309 OD1 ASP A 39 29.599 36.788 26.129 1.00 42.64 O -ATOM 310 OD2 ASP A 39 31.708 36.591 26.676 1.00 35.37 O -ATOM 311 N ALA A 40 28.299 31.730 26.339 1.00 36.12 N -ATOM 312 CA ALA A 40 28.305 30.267 26.358 1.00 39.54 C -ATOM 313 C ALA A 40 28.159 29.796 24.912 1.00 40.75 C -ATOM 314 O ALA A 40 27.886 30.597 24.009 1.00 47.14 O -ATOM 315 CB ALA A 40 27.148 29.721 27.221 1.00 39.01 C -ATOM 316 N ALA A 41 28.302 28.496 24.692 1.00 37.75 N -ATOM 317 CA ALA A 41 28.199 27.954 23.349 1.00 35.64 C -ATOM 318 C ALA A 41 26.766 27.721 22.862 1.00 37.61 C -ATOM 319 O ALA A 41 26.393 28.149 21.771 1.00 45.05 O -ATOM 320 CB ALA A 41 29.007 26.674 23.242 1.00 28.93 C -ATOM 321 N SER A 42 25.935 27.138 23.711 1.00 36.93 N -ATOM 322 CA SER A 42 24.567 26.792 23.334 1.00 36.62 C -ATOM 323 C SER A 42 23.597 27.816 22.783 1.00 38.55 C -ATOM 324 O SER A 42 22.772 27.469 21.933 1.00 40.37 O -ATOM 325 CB SER A 42 23.872 26.060 24.483 1.00 40.66 C -ATOM 326 OG SER A 42 23.883 26.843 25.662 1.00 47.64 O -ATOM 327 N GLN A 43 23.649 29.045 23.297 1.00 38.97 N -ATOM 328 CA GLN A 43 22.706 30.109 22.910 1.00 33.05 C -ATOM 329 C GLN A 43 21.277 29.652 23.206 1.00 33.87 C -ATOM 330 O GLN A 43 20.325 30.065 22.536 1.00 35.54 O -ATOM 331 CB GLN A 43 22.831 30.492 21.442 1.00 28.08 C -ATOM 332 CG GLN A 43 24.164 31.096 21.105 1.00 34.29 C -ATOM 333 CD GLN A 43 24.472 32.333 21.923 1.00 35.10 C -ATOM 334 OE1 GLN A 43 23.740 33.331 21.856 1.00 37.56 O -ATOM 335 NE2 GLN A 43 25.567 32.286 22.690 1.00 21.44 N -ATOM 336 N ARG A 44 21.148 28.827 24.246 1.00 32.15 N -ATOM 337 CA ARG A 44 19.870 28.289 24.676 1.00 31.01 C -ATOM 338 C ARG A 44 19.760 28.333 26.173 1.00 29.58 C -ATOM 339 O ARG A 44 20.776 28.412 26.858 1.00 36.76 O -ATOM 340 CB ARG A 44 19.737 26.845 24.229 1.00 30.97 C -ATOM 341 CG ARG A 44 19.373 26.721 22.795 1.00 28.07 C -ATOM 342 CD ARG A 44 19.247 25.295 22.439 1.00 31.90 C -ATOM 343 NE ARG A 44 18.053 24.647 22.977 1.00 36.63 N -ATOM 344 CZ ARG A 44 16.798 25.027 22.734 1.00 35.92 C -ATOM 345 NH1 ARG A 44 16.532 26.084 21.971 1.00 28.06 N -ATOM 346 NH2 ARG A 44 15.799 24.263 23.149 1.00 34.22 N -ATOM 347 N MET A 45 18.525 28.340 26.669 1.00 31.42 N -ATOM 348 CA MET A 45 18.253 28.337 28.109 1.00 29.72 C -ATOM 349 C MET A 45 18.633 26.939 28.570 1.00 30.58 C -ATOM 350 O MET A 45 18.141 25.962 28.013 1.00 39.07 O -ATOM 351 CB MET A 45 16.764 28.542 28.358 1.00 31.31 C -ATOM 352 CG MET A 45 16.386 28.525 29.808 1.00 26.87 C -ATOM 353 SD MET A 45 17.001 30.016 30.573 1.00 30.14 S -ATOM 354 CE MET A 45 15.531 30.860 30.685 1.00 17.84 C -ATOM 355 N GLU A 46 19.499 26.817 29.562 1.00 27.36 N -ATOM 356 CA GLU A 46 19.902 25.492 29.998 1.00 26.29 C -ATOM 357 C GLU A 46 19.382 25.094 31.380 1.00 30.98 C -ATOM 358 O GLU A 46 19.167 25.948 32.247 1.00 30.08 O -ATOM 359 CB GLU A 46 21.422 25.388 29.959 1.00 24.65 C -ATOM 360 CG GLU A 46 22.028 25.628 28.602 1.00 30.21 C -ATOM 361 CD GLU A 46 23.506 25.949 28.679 1.00 36.56 C -ATOM 362 OE1 GLU A 46 24.316 25.003 28.668 1.00 45.02 O -ATOM 363 OE2 GLU A 46 23.859 27.150 28.745 1.00 42.72 O -ATOM 364 N PRO A 47 19.140 23.782 31.587 1.00 32.34 N -ATOM 365 CA PRO A 47 18.653 23.250 32.860 1.00 30.87 C -ATOM 366 C PRO A 47 19.814 23.183 33.835 1.00 34.24 C -ATOM 367 O PRO A 47 20.886 22.667 33.503 1.00 35.01 O -ATOM 368 CB PRO A 47 18.231 21.822 32.510 1.00 26.82 C -ATOM 369 CG PRO A 47 18.192 21.786 31.016 1.00 37.54 C -ATOM 370 CD PRO A 47 19.285 22.701 30.604 1.00 31.55 C -ATOM 371 N ARG A 48 19.620 23.742 35.022 1.00 38.71 N -ATOM 372 CA ARG A 48 20.643 23.697 36.051 1.00 41.68 C -ATOM 373 C ARG A 48 20.099 22.990 37.294 1.00 41.02 C -ATOM 374 O ARG A 48 20.711 23.031 38.360 1.00 45.65 O -ATOM 375 CB ARG A 48 21.194 25.091 36.359 1.00 40.09 C -ATOM 376 CG ARG A 48 22.081 25.636 35.250 1.00 42.60 C -ATOM 377 CD ARG A 48 23.485 25.945 35.735 1.00 50.49 C -ATOM 378 NE ARG A 48 24.393 24.805 35.638 1.00 62.37 N -ATOM 379 CZ ARG A 48 25.710 24.876 35.843 1.00 76.10 C -ATOM 380 NH1 ARG A 48 26.282 26.033 36.163 1.00 78.36 N -ATOM 381 NH2 ARG A 48 26.471 23.791 35.717 1.00 85.21 N -ATOM 382 N ALA A 49 18.972 22.301 37.114 1.00 40.11 N -ATOM 383 CA ALA A 49 18.313 21.525 38.163 1.00 41.93 C -ATOM 384 C ALA A 49 17.722 20.266 37.516 1.00 42.94 C -ATOM 385 O ALA A 49 17.093 20.347 36.474 1.00 46.35 O -ATOM 386 CB ALA A 49 17.215 22.345 38.817 1.00 50.28 C -ATOM 387 N PRO A 50 17.866 19.098 38.154 1.00 46.61 N -ATOM 388 CA PRO A 50 17.345 17.840 37.609 1.00 44.57 C -ATOM 389 C PRO A 50 15.843 17.787 37.389 1.00 40.45 C -ATOM 390 O PRO A 50 15.377 17.118 36.482 1.00 48.48 O -ATOM 391 CB PRO A 50 17.777 16.808 38.652 1.00 48.77 C -ATOM 392 CG PRO A 50 18.998 17.430 39.269 1.00 53.65 C -ATOM 393 CD PRO A 50 18.538 18.853 39.443 1.00 53.12 C -ATOM 394 N TRP A 51 15.085 18.493 38.211 1.00 38.26 N -ATOM 395 CA TRP A 51 13.630 18.480 38.087 1.00 35.29 C -ATOM 396 C TRP A 51 13.122 19.224 36.870 1.00 33.17 C -ATOM 397 O TRP A 51 12.050 18.909 36.358 1.00 34.11 O -ATOM 398 CB TRP A 51 12.955 19.002 39.373 1.00 41.75 C -ATOM 399 CG TRP A 51 13.607 20.228 40.030 1.00 43.84 C -ATOM 400 CD1 TRP A 51 14.737 20.247 40.807 1.00 42.92 C -ATOM 401 CD2 TRP A 51 13.144 21.584 39.972 1.00 44.75 C -ATOM 402 NE1 TRP A 51 15.003 21.526 41.227 1.00 44.81 N -ATOM 403 CE2 TRP A 51 14.042 22.367 40.732 1.00 44.64 C -ATOM 404 CE3 TRP A 51 12.060 22.217 39.347 1.00 47.01 C -ATOM 405 CZ2 TRP A 51 13.887 23.751 40.886 1.00 44.41 C -ATOM 406 CZ3 TRP A 51 11.908 23.595 39.499 1.00 45.53 C -ATOM 407 CH2 TRP A 51 12.816 24.343 40.264 1.00 43.36 C -ATOM 408 N ILE A 52 13.909 20.195 36.402 1.00 36.63 N -ATOM 409 CA ILE A 52 13.555 21.013 35.235 1.00 33.67 C -ATOM 410 C ILE A 52 13.915 20.269 33.960 1.00 34.30 C -ATOM 411 O ILE A 52 13.266 20.448 32.941 1.00 38.39 O -ATOM 412 CB ILE A 52 14.247 22.433 35.272 1.00 26.94 C -ATOM 413 CG1 ILE A 52 13.459 23.449 34.450 1.00 23.30 C -ATOM 414 CG2 ILE A 52 15.631 22.387 34.668 1.00 22.58 C -ATOM 415 CD1 ILE A 52 11.972 23.482 34.758 1.00 23.38 C -ATOM 416 N GLU A 53 14.906 19.384 34.047 1.00 36.96 N -ATOM 417 CA GLU A 53 15.352 18.597 32.901 1.00 38.95 C -ATOM 418 C GLU A 53 14.222 17.809 32.264 1.00 39.99 C -ATOM 419 O GLU A 53 14.282 17.493 31.083 1.00 48.15 O -ATOM 420 CB GLU A 53 16.472 17.635 33.293 1.00 35.63 C -ATOM 421 CG GLU A 53 17.784 18.302 33.664 1.00 43.82 C -ATOM 422 CD GLU A 53 18.904 17.302 33.925 1.00 53.25 C -ATOM 423 OE1 GLU A 53 18.618 16.170 34.380 1.00 54.68 O -ATOM 424 OE2 GLU A 53 20.083 17.650 33.679 1.00 60.20 O -ATOM 425 N GLN A 54 13.194 17.491 33.041 1.00 42.37 N -ATOM 426 CA GLN A 54 12.070 16.742 32.506 1.00 43.57 C -ATOM 427 C GLN A 54 11.171 17.556 31.584 1.00 49.25 C -ATOM 428 O GLN A 54 10.396 16.979 30.811 1.00 52.66 O -ATOM 429 N GLU A 55 11.291 18.886 31.633 1.00 50.17 N -ATOM 430 CA GLU A 55 10.468 19.782 30.813 1.00 46.06 C -ATOM 431 C GLU A 55 10.680 19.614 29.315 1.00 46.45 C -ATOM 432 O GLU A 55 11.813 19.528 28.832 1.00 43.58 O -ATOM 433 CB GLU A 55 10.681 21.242 31.220 1.00 44.75 C -ATOM 434 CG GLU A 55 10.028 21.641 32.559 1.00 48.92 C -ATOM 435 CD GLU A 55 8.511 21.808 32.484 1.00 50.67 C -ATOM 436 OE1 GLU A 55 7.977 22.001 31.371 1.00 57.20 O -ATOM 437 OE2 GLU A 55 7.844 21.752 33.542 1.00 45.78 O -ATOM 438 N GLY A 56 9.568 19.609 28.589 1.00 46.88 N -ATOM 439 CA GLY A 56 9.604 19.432 27.151 1.00 51.13 C -ATOM 440 C GLY A 56 10.482 20.396 26.371 1.00 50.85 C -ATOM 441 O GLY A 56 10.816 21.486 26.855 1.00 52.06 O -ATOM 442 N PRO A 57 10.834 20.031 25.127 1.00 49.18 N -ATOM 443 CA PRO A 57 11.672 20.814 24.212 1.00 44.35 C -ATOM 444 C PRO A 57 11.017 22.154 23.919 1.00 38.70 C -ATOM 445 O PRO A 57 11.692 23.166 23.757 1.00 36.98 O -ATOM 446 CB PRO A 57 11.713 19.939 22.962 1.00 49.11 C -ATOM 447 CG PRO A 57 11.522 18.552 23.506 1.00 52.68 C -ATOM 448 CD PRO A 57 10.421 18.768 24.496 1.00 50.32 C -ATOM 449 N GLU A 58 9.692 22.154 23.887 1.00 36.33 N -ATOM 450 CA GLU A 58 8.934 23.373 23.630 1.00 42.64 C -ATOM 451 C GLU A 58 9.244 24.382 24.714 1.00 39.91 C -ATOM 452 O GLU A 58 9.255 25.580 24.458 1.00 43.48 O -ATOM 453 CB GLU A 58 7.435 23.095 23.651 1.00 45.02 C -ATOM 454 CG GLU A 58 6.991 21.993 22.720 1.00 60.35 C -ATOM 455 CD GLU A 58 5.971 21.093 23.372 1.00 70.00 C -ATOM 456 OE1 GLU A 58 5.069 21.620 24.071 1.00 80.76 O -ATOM 457 OE2 GLU A 58 6.087 19.858 23.207 1.00 72.53 O -ATOM 458 N TYR A 59 9.469 23.876 25.925 1.00 35.36 N -ATOM 459 CA TYR A 59 9.782 24.700 27.078 1.00 25.10 C -ATOM 460 C TYR A 59 11.122 25.321 26.790 1.00 21.33 C -ATOM 461 O TYR A 59 11.272 26.533 26.807 1.00 19.44 O -ATOM 462 CB TYR A 59 9.836 23.833 28.351 1.00 27.66 C -ATOM 463 CG TYR A 59 10.236 24.565 29.618 1.00 22.66 C -ATOM 464 CD1 TYR A 59 11.578 24.723 29.950 1.00 20.27 C -ATOM 465 CD2 TYR A 59 9.270 25.099 30.481 1.00 22.30 C -ATOM 466 CE1 TYR A 59 11.962 25.388 31.096 1.00 27.55 C -ATOM 467 CE2 TYR A 59 9.640 25.771 31.643 1.00 28.35 C -ATOM 468 CZ TYR A 59 10.998 25.916 31.948 1.00 33.11 C -ATOM 469 OH TYR A 59 11.410 26.584 33.092 1.00 30.35 O -ATOM 470 N TRP A 60 12.084 24.496 26.428 1.00 18.53 N -ATOM 471 CA TRP A 60 13.396 25.038 26.154 1.00 26.41 C -ATOM 472 C TRP A 60 13.425 25.977 24.946 1.00 34.71 C -ATOM 473 O TRP A 60 14.136 26.983 24.952 1.00 33.69 O -ATOM 474 CB TRP A 60 14.407 23.903 26.063 1.00 30.96 C -ATOM 475 CG TRP A 60 14.394 23.085 27.319 1.00 33.16 C -ATOM 476 CD1 TRP A 60 13.908 21.825 27.482 1.00 26.08 C -ATOM 477 CD2 TRP A 60 14.815 23.525 28.616 1.00 39.52 C -ATOM 478 NE1 TRP A 60 13.993 21.447 28.796 1.00 36.92 N -ATOM 479 CE2 TRP A 60 14.549 22.478 29.515 1.00 36.94 C -ATOM 480 CE3 TRP A 60 15.391 24.706 29.102 1.00 41.12 C -ATOM 481 CZ2 TRP A 60 14.836 22.569 30.869 1.00 35.46 C -ATOM 482 CZ3 TRP A 60 15.679 24.800 30.445 1.00 38.74 C -ATOM 483 CH2 TRP A 60 15.401 23.739 31.314 1.00 41.72 C -ATOM 484 N ASP A 61 12.600 25.692 23.940 1.00 38.54 N -ATOM 485 CA ASP A 61 12.536 26.541 22.756 1.00 35.40 C -ATOM 486 C ASP A 61 11.861 27.842 23.142 1.00 29.07 C -ATOM 487 O ASP A 61 12.388 28.925 22.895 1.00 32.90 O -ATOM 488 CB ASP A 61 11.756 25.865 21.616 1.00 42.39 C -ATOM 489 CG ASP A 61 12.576 24.810 20.869 1.00 46.82 C -ATOM 490 OD1 ASP A 61 13.794 24.672 21.121 1.00 57.94 O -ATOM 491 OD2 ASP A 61 11.993 24.109 20.021 1.00 41.51 O -ATOM 492 N GLY A 62 10.716 27.728 23.793 1.00 23.88 N -ATOM 493 CA GLY A 62 9.987 28.905 24.220 1.00 22.86 C -ATOM 494 C GLY A 62 10.746 29.754 25.218 1.00 22.51 C -ATOM 495 O GLY A 62 10.639 30.979 25.199 1.00 22.37 O -ATOM 496 N GLU A 63 11.527 29.114 26.081 1.00 25.30 N -ATOM 497 CA GLU A 63 12.281 29.847 27.088 1.00 26.05 C -ATOM 498 C GLU A 63 13.535 30.464 26.523 1.00 21.96 C -ATOM 499 O GLU A 63 13.993 31.504 27.006 1.00 23.40 O -ATOM 500 CB GLU A 63 12.602 28.974 28.305 1.00 28.62 C -ATOM 501 CG GLU A 63 11.369 28.614 29.138 1.00 22.01 C -ATOM 502 CD GLU A 63 10.547 29.827 29.579 1.00 29.44 C -ATOM 503 OE1 GLU A 63 10.957 30.483 30.554 1.00 24.58 O -ATOM 504 OE2 GLU A 63 9.474 30.108 28.983 1.00 23.29 O -ATOM 505 N THR A 64 14.098 29.826 25.506 1.00 21.53 N -ATOM 506 CA THR A 64 15.289 30.368 24.862 1.00 21.34 C -ATOM 507 C THR A 64 14.915 31.671 24.155 1.00 19.70 C -ATOM 508 O THR A 64 15.631 32.667 24.242 1.00 22.87 O -ATOM 509 CB THR A 64 15.881 29.394 23.840 1.00 19.96 C -ATOM 510 OG1 THR A 64 16.267 28.174 24.505 1.00 23.07 O -ATOM 511 CG2 THR A 64 17.116 30.029 23.171 1.00 13.96 C -ATOM 512 N ARG A 65 13.754 31.674 23.516 1.00 14.98 N -ATOM 513 CA ARG A 65 13.282 32.850 22.811 1.00 16.54 C -ATOM 514 C ARG A 65 13.127 34.008 23.784 1.00 16.98 C -ATOM 515 O ARG A 65 13.874 34.980 23.720 1.00 23.66 O -ATOM 516 CB ARG A 65 11.951 32.526 22.132 1.00 28.08 C -ATOM 517 CG ARG A 65 11.281 33.682 21.384 1.00 22.73 C -ATOM 518 CD ARG A 65 10.341 33.106 20.381 1.00 16.69 C -ATOM 519 NE ARG A 65 9.604 31.961 20.920 1.00 16.16 N -ATOM 520 CZ ARG A 65 8.528 32.104 21.661 1.00 17.44 C -ATOM 521 NH1 ARG A 65 8.122 33.327 21.923 1.00 23.56 N -ATOM 522 NH2 ARG A 65 7.825 31.063 22.071 1.00 20.58 N -ATOM 523 N LYS A 66 12.174 33.879 24.703 1.00 18.19 N -ATOM 524 CA LYS A 66 11.920 34.891 25.723 1.00 15.38 C -ATOM 525 C LYS A 66 13.201 35.389 26.432 1.00 17.89 C -ATOM 526 O LYS A 66 13.379 36.607 26.635 1.00 22.26 O -ATOM 527 CB LYS A 66 10.984 34.340 26.783 1.00 12.10 C -ATOM 528 CG LYS A 66 9.591 33.921 26.348 1.00 7.79 C -ATOM 529 CD LYS A 66 8.763 33.957 27.641 1.00 24.23 C -ATOM 530 CE LYS A 66 7.687 32.906 27.745 1.00 26.63 C -ATOM 531 NZ LYS A 66 7.767 32.279 29.097 1.00 21.90 N -ATOM 532 N VAL A 67 14.075 34.477 26.855 1.00 15.77 N -ATOM 533 CA VAL A 67 15.303 34.918 27.514 1.00 17.85 C -ATOM 534 C VAL A 67 16.119 35.778 26.541 1.00 18.50 C -ATOM 535 O VAL A 67 16.607 36.848 26.922 1.00 18.90 O -ATOM 536 CB VAL A 67 16.156 33.742 28.075 1.00 13.00 C -ATOM 537 CG1 VAL A 67 17.053 33.170 27.007 1.00 12.53 C -ATOM 538 CG2 VAL A 67 16.998 34.219 29.266 1.00 11.70 C -ATOM 539 N LYS A 68 16.208 35.352 25.276 1.00 19.05 N -ATOM 540 CA LYS A 68 16.947 36.120 24.283 1.00 15.09 C -ATOM 541 C LYS A 68 16.263 37.490 24.133 1.00 14.68 C -ATOM 542 O LYS A 68 16.940 38.510 23.956 1.00 17.18 O -ATOM 543 CB LYS A 68 17.095 35.349 22.963 1.00 15.36 C -ATOM 544 CG LYS A 68 18.549 34.853 22.696 1.00 20.61 C -ATOM 545 CD LYS A 68 18.620 33.488 21.975 1.00 23.59 C -ATOM 546 CE LYS A 68 18.071 33.556 20.552 1.00 35.31 C -ATOM 547 NZ LYS A 68 17.994 32.224 19.865 1.00 40.15 N -ATOM 548 N ALA A 69 14.941 37.531 24.312 1.00 12.73 N -ATOM 549 CA ALA A 69 14.195 38.795 24.272 1.00 10.25 C -ATOM 550 C ALA A 69 14.725 39.670 25.389 1.00 18.46 C -ATOM 551 O ALA A 69 14.998 40.857 25.182 1.00 22.68 O -ATOM 552 CB ALA A 69 12.722 38.563 24.484 1.00 8.79 C -ATOM 553 N HIS A 70 14.900 39.070 26.573 1.00 21.69 N -ATOM 554 CA HIS A 70 15.423 39.789 27.745 1.00 18.52 C -ATOM 555 C HIS A 70 16.806 40.360 27.431 1.00 17.27 C -ATOM 556 O HIS A 70 17.145 41.482 27.834 1.00 19.29 O -ATOM 557 CB HIS A 70 15.489 38.868 28.980 1.00 14.35 C -ATOM 558 CG HIS A 70 14.182 38.724 29.704 1.00 12.05 C -ATOM 559 ND1 HIS A 70 13.157 37.917 29.251 1.00 21.77 N -ATOM 560 CD2 HIS A 70 13.720 39.299 30.838 1.00 15.77 C -ATOM 561 CE1 HIS A 70 12.125 38.003 30.072 1.00 12.38 C -ATOM 562 NE2 HIS A 70 12.440 38.837 31.044 1.00 15.69 N -ATOM 563 N SER A 71 17.592 39.595 26.690 1.00 21.26 N -ATOM 564 CA SER A 71 18.943 40.000 26.296 1.00 24.67 C -ATOM 565 C SER A 71 18.910 41.245 25.424 1.00 26.22 C -ATOM 566 O SER A 71 19.547 42.260 25.745 1.00 27.79 O -ATOM 567 CB SER A 71 19.624 38.859 25.526 1.00 24.84 C -ATOM 568 OG SER A 71 20.997 39.115 25.288 1.00 32.90 O -ATOM 569 N GLN A 72 18.127 41.173 24.346 1.00 28.07 N -ATOM 570 CA GLN A 72 18.005 42.267 23.393 1.00 27.23 C -ATOM 571 C GLN A 72 17.495 43.523 24.076 1.00 24.04 C -ATOM 572 O GLN A 72 17.933 44.636 23.760 1.00 28.12 O -ATOM 573 CB GLN A 72 17.064 41.881 22.242 1.00 32.27 C -ATOM 574 CG GLN A 72 17.073 42.880 21.071 1.00 41.72 C -ATOM 575 CD GLN A 72 18.372 42.833 20.260 1.00 46.90 C -ATOM 576 OE1 GLN A 72 18.670 41.830 19.596 1.00 45.94 O -ATOM 577 NE2 GLN A 72 19.154 43.909 20.324 1.00 41.45 N -ATOM 578 N THR A 73 16.538 43.354 24.978 1.00 19.78 N -ATOM 579 CA THR A 73 15.991 44.490 25.702 1.00 20.69 C -ATOM 580 C THR A 73 17.073 45.225 26.508 1.00 22.64 C -ATOM 581 O THR A 73 17.154 46.457 26.493 1.00 25.09 O -ATOM 582 CB THR A 73 14.859 44.053 26.626 1.00 21.16 C -ATOM 583 OG1 THR A 73 13.894 43.282 25.877 1.00 16.82 O -ATOM 584 CG2 THR A 73 14.195 45.277 27.240 1.00 11.29 C -ATOM 585 N HIS A 74 17.963 44.477 27.143 1.00 20.82 N -ATOM 586 CA HIS A 74 19.008 45.115 27.924 1.00 23.93 C -ATOM 587 C HIS A 74 20.072 45.766 27.061 1.00 25.19 C -ATOM 588 O HIS A 74 20.570 46.839 27.390 1.00 28.30 O -ATOM 589 CB HIS A 74 19.614 44.131 28.920 1.00 26.24 C -ATOM 590 CG HIS A 74 18.662 43.723 29.999 1.00 25.50 C -ATOM 591 ND1 HIS A 74 17.338 43.432 29.754 1.00 30.18 N -ATOM 592 CD2 HIS A 74 18.826 43.613 31.337 1.00 24.39 C -ATOM 593 CE1 HIS A 74 16.725 43.169 30.893 1.00 26.56 C -ATOM 594 NE2 HIS A 74 17.608 43.272 31.868 1.00 27.69 N -ATOM 595 N ARG A 75 20.402 45.126 25.943 1.00 32.24 N -ATOM 596 CA ARG A 75 21.398 45.655 25.009 1.00 30.52 C -ATOM 597 C ARG A 75 20.982 47.058 24.580 1.00 28.24 C -ATOM 598 O ARG A 75 21.793 47.973 24.460 1.00 29.01 O -ATOM 599 CB ARG A 75 21.469 44.758 23.780 1.00 32.77 C -ATOM 600 CG ARG A 75 22.364 45.289 22.709 1.00 48.52 C -ATOM 601 CD ARG A 75 22.072 44.646 21.388 1.00 61.14 C -ATOM 602 NE ARG A 75 22.684 45.406 20.308 1.00 79.30 N -ATOM 603 CZ ARG A 75 22.834 44.947 19.074 1.00 92.75 C -ATOM 604 NH1 ARG A 75 22.413 43.723 18.768 1.00 99.99 N -ATOM 605 NH2 ARG A 75 23.440 45.693 18.156 1.00 98.59 N -ATOM 606 N VAL A 76 19.694 47.205 24.346 1.00 25.90 N -ATOM 607 CA VAL A 76 19.142 48.470 23.941 1.00 27.99 C -ATOM 608 C VAL A 76 19.206 49.420 25.133 1.00 30.68 C -ATOM 609 O VAL A 76 19.674 50.552 25.011 1.00 30.19 O -ATOM 610 CB VAL A 76 17.686 48.261 23.479 1.00 29.05 C -ATOM 611 CG1 VAL A 76 16.970 49.584 23.292 1.00 27.83 C -ATOM 612 CG2 VAL A 76 17.672 47.460 22.195 1.00 28.82 C -ATOM 613 N ASP A 77 18.781 48.934 26.299 1.00 33.44 N -ATOM 614 CA ASP A 77 18.768 49.748 27.513 1.00 27.08 C -ATOM 615 C ASP A 77 20.111 50.343 27.874 1.00 24.83 C -ATOM 616 O ASP A 77 20.190 51.515 28.209 1.00 29.79 O -ATOM 617 CB ASP A 77 18.200 48.964 28.694 1.00 28.35 C -ATOM 618 CG ASP A 77 16.714 48.657 28.534 1.00 35.33 C -ATOM 619 OD1 ASP A 77 16.088 49.195 27.596 1.00 33.79 O -ATOM 620 OD2 ASP A 77 16.165 47.875 29.344 1.00 35.21 O -ATOM 621 N LEU A 78 21.181 49.575 27.752 1.00 21.93 N -ATOM 622 CA LEU A 78 22.489 50.105 28.102 1.00 24.87 C -ATOM 623 C LEU A 78 22.751 51.443 27.431 1.00 29.44 C -ATOM 624 O LEU A 78 23.053 52.430 28.108 1.00 35.57 O -ATOM 625 CB LEU A 78 23.579 49.091 27.782 1.00 24.41 C -ATOM 626 CG LEU A 78 23.640 47.933 28.788 1.00 26.71 C -ATOM 627 CD1 LEU A 78 24.409 46.745 28.240 1.00 28.79 C -ATOM 628 CD2 LEU A 78 24.286 48.426 30.045 1.00 20.26 C -ATOM 629 N GLY A 79 22.524 51.495 26.119 1.00 32.00 N -ATOM 630 CA GLY A 79 22.748 52.713 25.349 1.00 27.69 C -ATOM 631 C GLY A 79 21.716 53.784 25.636 1.00 26.53 C -ATOM 632 O GLY A 79 22.039 54.970 25.739 1.00 22.16 O -ATOM 633 N THR A 80 20.462 53.361 25.741 1.00 28.52 N -ATOM 634 CA THR A 80 19.357 54.265 26.045 1.00 28.06 C -ATOM 635 C THR A 80 19.735 55.066 27.301 1.00 34.04 C -ATOM 636 O THR A 80 19.687 56.302 27.308 1.00 38.38 O -ATOM 637 CB THR A 80 18.062 53.461 26.319 1.00 24.43 C -ATOM 638 OG1 THR A 80 17.837 52.518 25.260 1.00 18.79 O -ATOM 639 CG2 THR A 80 16.865 54.383 26.445 1.00 29.02 C -ATOM 640 N LEU A 81 20.190 54.344 28.328 1.00 36.96 N -ATOM 641 CA LEU A 81 20.601 54.923 29.599 1.00 31.70 C -ATOM 642 C LEU A 81 21.889 55.737 29.456 1.00 32.20 C -ATOM 643 O LEU A 81 22.031 56.794 30.075 1.00 35.31 O -ATOM 644 CB LEU A 81 20.763 53.824 30.652 1.00 24.14 C -ATOM 645 CG LEU A 81 19.483 53.083 31.042 1.00 20.25 C -ATOM 646 CD1 LEU A 81 19.823 51.833 31.800 1.00 19.92 C -ATOM 647 CD2 LEU A 81 18.576 53.967 31.857 1.00 23.39 C -ATOM 648 N ARG A 82 22.823 55.277 28.635 1.00 30.92 N -ATOM 649 CA ARG A 82 24.047 56.044 28.458 1.00 31.32 C -ATOM 650 C ARG A 82 23.633 57.425 28.016 1.00 30.63 C -ATOM 651 O ARG A 82 24.246 58.411 28.402 1.00 35.90 O -ATOM 652 CB ARG A 82 24.956 55.435 27.398 1.00 37.40 C -ATOM 653 CG ARG A 82 26.180 56.298 27.099 1.00 51.62 C -ATOM 654 CD ARG A 82 26.798 55.974 25.741 1.00 67.62 C -ATOM 655 NE ARG A 82 25.829 56.125 24.655 1.00 82.20 N -ATOM 656 CZ ARG A 82 26.133 56.157 23.360 1.00 84.29 C -ATOM 657 NH1 ARG A 82 27.392 56.053 22.958 1.00 83.04 N -ATOM 658 NH2 ARG A 82 25.167 56.278 22.463 1.00 86.57 N -ATOM 659 N GLY A 83 22.576 57.484 27.213 1.00 28.66 N -ATOM 660 CA GLY A 83 22.075 58.754 26.735 1.00 31.18 C -ATOM 661 C GLY A 83 21.418 59.567 27.837 1.00 38.59 C -ATOM 662 O GLY A 83 21.687 60.760 27.971 1.00 43.34 O -ATOM 663 N TYR A 84 20.551 58.924 28.622 1.00 39.15 N -ATOM 664 CA TYR A 84 19.829 59.565 29.725 1.00 30.73 C -ATOM 665 C TYR A 84 20.726 60.314 30.708 1.00 31.99 C -ATOM 666 O TYR A 84 20.345 61.358 31.252 1.00 27.40 O -ATOM 667 CB TYR A 84 19.045 58.510 30.495 1.00 29.83 C -ATOM 668 CG TYR A 84 17.798 58.008 29.818 1.00 26.97 C -ATOM 669 CD1 TYR A 84 17.144 58.768 28.862 1.00 27.52 C -ATOM 670 CD2 TYR A 84 17.230 56.790 30.190 1.00 31.93 C -ATOM 671 CE1 TYR A 84 15.952 58.332 28.296 1.00 30.26 C -ATOM 672 CE2 TYR A 84 16.039 56.345 29.633 1.00 28.99 C -ATOM 673 CZ TYR A 84 15.406 57.122 28.686 1.00 27.06 C -ATOM 674 OH TYR A 84 14.226 56.696 28.130 1.00 29.85 O -ATOM 675 N TYR A 85 21.877 59.721 31.002 1.00 33.93 N -ATOM 676 CA TYR A 85 22.845 60.306 31.928 1.00 36.68 C -ATOM 677 C TYR A 85 23.963 61.036 31.206 1.00 42.09 C -ATOM 678 O TYR A 85 24.761 61.736 31.839 1.00 45.90 O -ATOM 679 CB TYR A 85 23.445 59.223 32.829 1.00 27.02 C -ATOM 680 CG TYR A 85 22.417 58.617 33.705 1.00 17.04 C -ATOM 681 CD1 TYR A 85 22.004 59.273 34.851 1.00 17.34 C -ATOM 682 CD2 TYR A 85 21.796 57.429 33.357 1.00 18.27 C -ATOM 683 CE1 TYR A 85 20.992 58.780 35.632 1.00 20.89 C -ATOM 684 CE2 TYR A 85 20.779 56.913 34.133 1.00 25.18 C -ATOM 685 CZ TYR A 85 20.378 57.602 35.275 1.00 25.77 C -ATOM 686 OH TYR A 85 19.348 57.131 36.061 1.00 37.50 O -ATOM 687 N ASN A 86 24.039 60.833 29.892 1.00 42.89 N -ATOM 688 CA ASN A 86 25.049 61.472 29.069 1.00 41.37 C -ATOM 689 C ASN A 86 26.441 60.970 29.428 1.00 38.87 C -ATOM 690 O ASN A 86 27.350 61.750 29.695 1.00 38.35 O -ATOM 691 CB ASN A 86 24.966 62.980 29.260 1.00 49.53 C -ATOM 692 CG ASN A 86 25.479 63.736 28.075 1.00 61.28 C -ATOM 693 OD1 ASN A 86 24.729 64.491 27.460 1.00 71.06 O -ATOM 694 ND2 ASN A 86 26.757 63.552 27.736 1.00 61.40 N -ATOM 695 N GLN A 87 26.608 59.658 29.408 1.00 38.84 N -ATOM 696 CA GLN A 87 27.882 59.053 29.756 1.00 42.63 C -ATOM 697 C GLN A 87 28.673 58.715 28.497 1.00 46.07 C -ATOM 698 O GLN A 87 28.139 58.788 27.393 1.00 52.76 O -ATOM 699 CB GLN A 87 27.622 57.831 30.639 1.00 39.68 C -ATOM 700 CG GLN A 87 26.617 58.167 31.740 1.00 44.42 C -ATOM 701 CD GLN A 87 26.571 57.173 32.870 1.00 47.96 C -ATOM 702 OE1 GLN A 87 27.452 57.150 33.729 1.00 52.31 O -ATOM 703 NE2 GLN A 87 25.515 56.373 32.909 1.00 45.77 N -ATOM 704 N SER A 88 29.938 58.352 28.654 1.00 49.44 N -ATOM 705 CA SER A 88 30.771 58.047 27.499 1.00 54.27 C -ATOM 706 C SER A 88 30.431 56.755 26.803 1.00 54.61 C -ATOM 707 O SER A 88 29.867 55.843 27.400 1.00 58.10 O -ATOM 708 CB SER A 88 32.246 57.992 27.888 1.00 60.95 C -ATOM 709 OG SER A 88 33.079 57.736 26.760 1.00 68.18 O -ATOM 710 N GLU A 89 30.855 56.669 25.549 1.00 56.67 N -ATOM 711 CA GLU A 89 30.655 55.473 24.737 1.00 60.49 C -ATOM 712 C GLU A 89 31.624 54.404 25.242 1.00 54.91 C -ATOM 713 O GLU A 89 31.313 53.218 25.229 1.00 54.72 O -ATOM 714 CB GLU A 89 31.000 55.739 23.256 1.00 71.92 C -ATOM 715 CG GLU A 89 30.023 56.567 22.413 1.00 82.42 C -ATOM 716 CD GLU A 89 30.101 58.072 22.650 1.00 92.71 C -ATOM 717 OE1 GLU A 89 31.227 58.615 22.781 1.00 97.04 O -ATOM 718 OE2 GLU A 89 29.027 58.719 22.674 1.00 96.43 O -ATOM 719 N ALA A 90 32.795 54.848 25.692 1.00 51.44 N -ATOM 720 CA ALA A 90 33.863 53.963 26.151 1.00 50.03 C -ATOM 721 C ALA A 90 33.677 53.251 27.495 1.00 48.93 C -ATOM 722 O ALA A 90 34.362 52.261 27.781 1.00 54.11 O -ATOM 723 CB ALA A 90 35.188 54.725 26.142 1.00 42.70 C -ATOM 724 N GLY A 91 32.750 53.726 28.314 1.00 45.45 N -ATOM 725 CA GLY A 91 32.572 53.114 29.612 1.00 44.78 C -ATOM 726 C GLY A 91 31.707 51.879 29.738 1.00 42.13 C -ATOM 727 O GLY A 91 30.609 51.818 29.178 1.00 44.09 O -ATOM 728 N SER A 92 32.187 50.911 30.518 1.00 39.21 N -ATOM 729 CA SER A 92 31.441 49.691 30.787 1.00 32.45 C -ATOM 730 C SER A 92 30.486 50.065 31.895 1.00 29.63 C -ATOM 731 O SER A 92 30.859 50.743 32.856 1.00 31.60 O -ATOM 732 CB SER A 92 32.349 48.566 31.260 1.00 28.84 C -ATOM 733 OG SER A 92 31.627 47.355 31.372 1.00 34.16 O -ATOM 734 N HIS A 93 29.228 49.713 31.697 1.00 27.90 N -ATOM 735 CA HIS A 93 28.189 50.005 32.663 1.00 27.54 C -ATOM 736 C HIS A 93 27.381 48.741 32.817 1.00 29.88 C -ATOM 737 O HIS A 93 27.496 47.821 31.990 1.00 34.57 O -ATOM 738 CB HIS A 93 27.312 51.169 32.204 1.00 29.74 C -ATOM 739 CG HIS A 93 28.038 52.479 32.149 1.00 35.45 C -ATOM 740 ND1 HIS A 93 28.875 52.827 31.111 1.00 33.59 N -ATOM 741 CD2 HIS A 93 28.065 53.520 33.015 1.00 37.19 C -ATOM 742 CE1 HIS A 93 29.385 54.025 31.337 1.00 38.73 C -ATOM 743 NE2 HIS A 93 28.910 54.467 32.485 1.00 40.78 N -ATOM 744 N THR A 94 26.578 48.697 33.875 1.00 26.91 N -ATOM 745 CA THR A 94 25.780 47.529 34.194 1.00 21.75 C -ATOM 746 C THR A 94 24.323 47.874 34.303 1.00 20.17 C -ATOM 747 O THR A 94 23.963 48.982 34.687 1.00 22.42 O -ATOM 748 CB THR A 94 26.220 46.929 35.550 1.00 23.17 C -ATOM 749 OG1 THR A 94 27.651 46.797 35.583 1.00 18.84 O -ATOM 750 CG2 THR A 94 25.573 45.564 35.774 1.00 20.31 C -ATOM 751 N VAL A 95 23.493 46.898 33.980 1.00 19.83 N -ATOM 752 CA VAL A 95 22.040 47.018 34.046 1.00 25.53 C -ATOM 753 C VAL A 95 21.658 45.723 34.749 1.00 22.61 C -ATOM 754 O VAL A 95 22.242 44.681 34.458 1.00 24.73 O -ATOM 755 CB VAL A 95 21.398 47.072 32.597 1.00 27.69 C -ATOM 756 CG1 VAL A 95 19.985 46.556 32.611 1.00 27.72 C -ATOM 757 CG2 VAL A 95 21.388 48.504 32.062 1.00 24.71 C -ATOM 758 N GLN A 96 20.727 45.776 35.695 1.00 21.22 N -ATOM 759 CA GLN A 96 20.335 44.558 36.401 1.00 21.70 C -ATOM 760 C GLN A 96 18.860 44.541 36.612 1.00 20.47 C -ATOM 761 O GLN A 96 18.275 45.572 36.916 1.00 21.74 O -ATOM 762 CB GLN A 96 21.045 44.448 37.745 1.00 27.10 C -ATOM 763 CG GLN A 96 22.535 44.341 37.588 1.00 30.99 C -ATOM 764 CD GLN A 96 23.280 44.688 38.838 1.00 32.88 C -ATOM 765 OE1 GLN A 96 23.806 45.806 38.980 1.00 33.79 O -ATOM 766 NE2 GLN A 96 23.369 43.726 39.748 1.00 29.30 N -ATOM 767 N ARG A 97 18.261 43.368 36.426 1.00 19.88 N -ATOM 768 CA ARG A 97 16.829 43.196 36.585 1.00 20.62 C -ATOM 769 C ARG A 97 16.557 41.956 37.438 1.00 21.54 C -ATOM 770 O ARG A 97 17.241 40.940 37.333 1.00 22.72 O -ATOM 771 CB ARG A 97 16.156 43.049 35.212 1.00 24.00 C -ATOM 772 CG ARG A 97 14.618 42.973 35.226 1.00 25.82 C -ATOM 773 CD ARG A 97 14.067 42.567 33.852 1.00 33.30 C -ATOM 774 NE ARG A 97 14.354 43.559 32.807 1.00 41.60 N -ATOM 775 CZ ARG A 97 13.431 44.128 32.035 1.00 40.15 C -ATOM 776 NH1 ARG A 97 12.151 43.811 32.187 1.00 38.70 N -ATOM 777 NH2 ARG A 97 13.788 45.010 31.106 1.00 40.33 N -ATOM 778 N MET A 98 15.536 42.047 38.273 1.00 19.05 N -ATOM 779 CA MET A 98 15.154 40.959 39.139 1.00 15.63 C -ATOM 780 C MET A 98 13.647 41.025 39.200 1.00 12.84 C -ATOM 781 O MET A 98 13.066 42.113 39.222 1.00 14.66 O -ATOM 782 CB MET A 98 15.754 41.175 40.539 1.00 18.01 C -ATOM 783 CG MET A 98 15.605 39.999 41.508 1.00 17.07 C -ATOM 784 SD MET A 98 13.963 39.859 42.272 1.00 31.66 S -ATOM 785 CE MET A 98 13.913 41.410 43.159 1.00 24.06 C -ATOM 786 N TYR A 99 12.999 39.880 39.121 1.00 7.56 N -ATOM 787 CA TYR A 99 11.566 39.874 39.232 1.00 13.92 C -ATOM 788 C TYR A 99 11.131 38.519 39.714 1.00 19.16 C -ATOM 789 O TYR A 99 11.876 37.550 39.563 1.00 23.99 O -ATOM 790 CB TYR A 99 10.875 40.306 37.928 1.00 19.23 C -ATOM 791 CG TYR A 99 11.056 39.437 36.692 1.00 19.30 C -ATOM 792 CD1 TYR A 99 10.392 38.217 36.570 1.00 22.32 C -ATOM 793 CD2 TYR A 99 11.818 39.882 35.606 1.00 17.23 C -ATOM 794 CE1 TYR A 99 10.475 37.468 35.409 1.00 22.95 C -ATOM 795 CE2 TYR A 99 11.907 39.137 34.439 1.00 18.51 C -ATOM 796 CZ TYR A 99 11.234 37.936 34.354 1.00 19.59 C -ATOM 797 OH TYR A 99 11.314 37.180 33.229 1.00 18.03 O -ATOM 798 N GLY A 100 9.976 38.466 40.373 1.00 22.18 N -ATOM 799 CA GLY A 100 9.490 37.204 40.884 1.00 23.87 C -ATOM 800 C GLY A 100 8.218 37.321 41.691 1.00 26.45 C -ATOM 801 O GLY A 100 7.660 38.411 41.853 1.00 23.67 O -ATOM 802 N CYS A 101 7.745 36.177 42.170 1.00 30.98 N -ATOM 803 CA CYS A 101 6.532 36.107 42.969 1.00 34.78 C -ATOM 804 C CYS A 101 6.752 35.210 44.192 1.00 34.76 C -ATOM 805 O CYS A 101 7.695 34.404 44.227 1.00 36.73 O -ATOM 806 CB CYS A 101 5.360 35.595 42.125 1.00 32.70 C -ATOM 807 SG CYS A 101 5.624 33.980 41.315 1.00 42.53 S -ATOM 808 N ASP A 102 5.918 35.419 45.212 1.00 32.68 N -ATOM 809 CA ASP A 102 5.949 34.673 46.470 1.00 22.88 C -ATOM 810 C ASP A 102 4.580 34.090 46.715 1.00 20.81 C -ATOM 811 O ASP A 102 3.569 34.788 46.546 1.00 18.07 O -ATOM 812 CB ASP A 102 6.215 35.616 47.638 1.00 25.63 C -ATOM 813 CG ASP A 102 7.613 36.141 47.658 1.00 31.24 C -ATOM 814 OD1 ASP A 102 8.458 35.582 46.951 1.00 42.39 O -ATOM 815 OD2 ASP A 102 7.883 37.100 48.400 1.00 27.97 O -ATOM 816 N VAL A 103 4.534 32.821 47.088 1.00 20.54 N -ATOM 817 CA VAL A 103 3.264 32.199 47.412 1.00 28.30 C -ATOM 818 C VAL A 103 3.323 31.853 48.895 1.00 34.81 C -ATOM 819 O VAL A 103 4.405 31.664 49.458 1.00 33.39 O -ATOM 820 CB VAL A 103 2.947 30.934 46.561 1.00 29.91 C -ATOM 821 CG1 VAL A 103 2.667 31.326 45.137 1.00 35.45 C -ATOM 822 CG2 VAL A 103 4.066 29.923 46.625 1.00 27.69 C -ATOM 823 N GLY A 104 2.175 31.904 49.553 1.00 43.12 N -ATOM 824 CA GLY A 104 2.131 31.574 50.963 1.00 45.30 C -ATOM 825 C GLY A 104 2.147 30.069 51.139 1.00 45.14 C -ATOM 826 O GLY A 104 2.386 29.321 50.189 1.00 40.19 O -ATOM 827 N SER A 105 1.854 29.620 52.351 1.00 44.84 N -ATOM 828 CA SER A 105 1.834 28.199 52.631 1.00 47.76 C -ATOM 829 C SER A 105 0.671 27.539 51.897 1.00 47.89 C -ATOM 830 O SER A 105 0.718 26.344 51.586 1.00 50.99 O -ATOM 831 CB SER A 105 1.759 27.970 54.135 1.00 51.44 C -ATOM 832 OG SER A 105 2.933 28.478 54.759 1.00 60.54 O -ATOM 833 N ASP A 106 -0.359 28.335 51.612 1.00 45.29 N -ATOM 834 CA ASP A 106 -1.532 27.869 50.878 1.00 45.43 C -ATOM 835 C ASP A 106 -1.187 27.848 49.391 1.00 50.52 C -ATOM 836 O ASP A 106 -2.049 27.584 48.552 1.00 54.71 O -ATOM 837 CB ASP A 106 -2.725 28.799 51.120 1.00 43.44 C -ATOM 838 CG ASP A 106 -2.428 30.260 50.762 1.00 46.76 C -ATOM 839 OD1 ASP A 106 -1.255 30.632 50.545 1.00 44.05 O -ATOM 840 OD2 ASP A 106 -3.388 31.058 50.706 1.00 51.33 O -ATOM 841 N TRP A 107 0.069 28.193 49.089 1.00 49.02 N -ATOM 842 CA TRP A 107 0.612 28.233 47.735 1.00 44.37 C -ATOM 843 C TRP A 107 -0.055 29.243 46.811 1.00 44.94 C -ATOM 844 O TRP A 107 0.084 29.161 45.594 1.00 43.16 O -ATOM 845 CB TRP A 107 0.588 26.844 47.109 1.00 43.86 C -ATOM 846 CG TRP A 107 1.728 25.963 47.516 1.00 41.56 C -ATOM 847 CD1 TRP A 107 2.629 26.188 48.515 1.00 42.34 C -ATOM 848 CD2 TRP A 107 2.098 24.716 46.912 1.00 40.70 C -ATOM 849 NE1 TRP A 107 3.537 25.157 48.573 1.00 41.75 N -ATOM 850 CE2 TRP A 107 3.235 24.240 47.601 1.00 39.61 C -ATOM 851 CE3 TRP A 107 1.575 23.954 45.855 1.00 41.16 C -ATOM 852 CZ2 TRP A 107 3.862 23.033 47.269 1.00 42.43 C -ATOM 853 CZ3 TRP A 107 2.199 22.749 45.523 1.00 40.05 C -ATOM 854 CH2 TRP A 107 3.331 22.303 46.229 1.00 44.51 C -ATOM 855 N ARG A 108 -0.758 30.205 47.403 1.00 46.98 N -ATOM 856 CA ARG A 108 -1.444 31.244 46.647 1.00 44.56 C -ATOM 857 C ARG A 108 -0.669 32.550 46.663 1.00 39.92 C -ATOM 858 O ARG A 108 0.148 32.804 47.562 1.00 34.81 O -ATOM 859 CB ARG A 108 -2.860 31.463 47.180 1.00 51.81 C -ATOM 860 CG ARG A 108 -3.792 30.285 46.976 1.00 59.15 C -ATOM 861 CD ARG A 108 -5.156 30.592 47.531 1.00 70.21 C -ATOM 862 NE ARG A 108 -6.053 29.454 47.413 1.00 84.64 N -ATOM 863 CZ ARG A 108 -7.337 29.481 47.754 1.00 94.89 C -ATOM 864 NH1 ARG A 108 -7.877 30.595 48.239 1.00100.00 N -ATOM 865 NH2 ARG A 108 -8.089 28.393 47.605 1.00100.00 N -ATOM 866 N PHE A 109 -0.959 33.385 45.671 1.00 35.77 N -ATOM 867 CA PHE A 109 -0.293 34.664 45.513 1.00 33.27 C -ATOM 868 C PHE A 109 -0.106 35.414 46.836 1.00 35.22 C -ATOM 869 O PHE A 109 -0.949 35.350 47.734 1.00 37.48 O -ATOM 870 CB PHE A 109 -1.036 35.538 44.487 1.00 24.18 C -ATOM 871 CG PHE A 109 -0.310 36.805 44.151 1.00 16.27 C -ATOM 872 CD1 PHE A 109 0.940 36.752 43.558 1.00 13.45 C -ATOM 873 CD2 PHE A 109 -0.825 38.032 44.516 1.00 13.64 C -ATOM 874 CE1 PHE A 109 1.678 37.900 43.337 1.00 19.65 C -ATOM 875 CE2 PHE A 109 -0.096 39.187 44.303 1.00 22.40 C -ATOM 876 CZ PHE A 109 1.167 39.121 43.710 1.00 18.83 C -ATOM 877 N LEU A 110 1.011 36.116 46.946 1.00 31.51 N -ATOM 878 CA LEU A 110 1.302 36.862 48.139 1.00 29.72 C -ATOM 879 C LEU A 110 1.881 38.210 47.737 1.00 32.71 C -ATOM 880 O LEU A 110 1.304 39.239 48.050 1.00 39.10 O -ATOM 881 CB LEU A 110 2.293 36.071 48.984 1.00 38.70 C -ATOM 882 CG LEU A 110 2.328 36.221 50.504 1.00 37.34 C -ATOM 883 CD1 LEU A 110 0.978 35.875 51.103 1.00 32.34 C -ATOM 884 CD2 LEU A 110 3.406 35.306 51.050 1.00 37.54 C -ATOM 885 N ARG A 111 3.007 38.216 47.026 1.00 33.40 N -ATOM 886 CA ARG A 111 3.631 39.474 46.595 1.00 35.79 C -ATOM 887 C ARG A 111 4.314 39.275 45.252 1.00 37.63 C -ATOM 888 O ARG A 111 4.792 38.176 44.953 1.00 37.28 O -ATOM 889 CB ARG A 111 4.699 39.953 47.588 1.00 42.79 C -ATOM 890 CG ARG A 111 4.231 40.230 49.004 1.00 53.69 C -ATOM 891 CD ARG A 111 5.422 40.427 49.934 1.00 59.68 C -ATOM 892 NE ARG A 111 5.232 39.736 51.208 1.00 67.44 N -ATOM 893 CZ ARG A 111 5.387 38.425 51.392 1.00 69.37 C -ATOM 894 NH1 ARG A 111 5.744 37.626 50.392 1.00 67.66 N -ATOM 895 NH2 ARG A 111 5.176 37.903 52.590 1.00 77.27 N -ATOM 896 N GLY A 112 4.363 40.349 44.463 1.00 37.49 N -ATOM 897 CA GLY A 112 5.001 40.328 43.160 1.00 32.09 C -ATOM 898 C GLY A 112 6.103 41.361 43.201 1.00 31.07 C -ATOM 899 O GLY A 112 5.949 42.366 43.889 1.00 33.59 O -ATOM 900 N TYR A 113 7.214 41.112 42.504 1.00 34.05 N -ATOM 901 CA TYR A 113 8.357 42.027 42.478 1.00 34.36 C -ATOM 902 C TYR A 113 8.838 42.256 41.050 1.00 31.72 C -ATOM 903 O TYR A 113 8.583 41.439 40.164 1.00 34.49 O -ATOM 904 CB TYR A 113 9.543 41.431 43.256 1.00 44.97 C -ATOM 905 CG TYR A 113 9.218 40.950 44.643 1.00 60.98 C -ATOM 906 CD1 TYR A 113 8.387 39.845 44.841 1.00 66.09 C -ATOM 907 CD2 TYR A 113 9.712 41.616 45.766 1.00 72.43 C -ATOM 908 CE1 TYR A 113 8.036 39.419 46.128 1.00 75.04 C -ATOM 909 CE2 TYR A 113 9.375 41.200 47.065 1.00 80.46 C -ATOM 910 CZ TYR A 113 8.538 40.102 47.241 1.00 81.22 C -ATOM 911 OH TYR A 113 8.190 39.710 48.518 1.00 80.05 O -ATOM 912 N HIS A 114 9.568 43.354 40.856 1.00 29.01 N -ATOM 913 CA HIS A 114 10.188 43.726 39.579 1.00 28.66 C -ATOM 914 C HIS A 114 11.023 44.962 39.818 1.00 22.15 C -ATOM 915 O HIS A 114 10.472 46.044 39.997 1.00 25.85 O -ATOM 916 CB HIS A 114 9.190 44.027 38.450 1.00 34.14 C -ATOM 917 CG HIS A 114 9.861 44.416 37.162 1.00 36.15 C -ATOM 918 ND1 HIS A 114 10.357 43.491 36.270 1.00 39.35 N -ATOM 919 CD2 HIS A 114 10.212 45.633 36.667 1.00 37.09 C -ATOM 920 CE1 HIS A 114 10.992 44.111 35.288 1.00 35.56 C -ATOM 921 NE2 HIS A 114 10.917 45.411 35.510 1.00 37.22 N -ATOM 922 N GLN A 115 12.343 44.817 39.765 1.00 17.91 N -ATOM 923 CA GLN A 115 13.223 45.940 40.019 1.00 13.46 C -ATOM 924 C GLN A 115 14.289 45.983 38.995 1.00 14.89 C -ATOM 925 O GLN A 115 14.867 44.964 38.666 1.00 21.64 O -ATOM 926 CB GLN A 115 13.905 45.795 41.380 1.00 26.85 C -ATOM 927 CG GLN A 115 13.039 45.174 42.469 1.00 33.59 C -ATOM 928 CD GLN A 115 13.515 45.524 43.856 1.00 41.22 C -ATOM 929 OE1 GLN A 115 12.806 46.194 44.610 1.00 45.08 O -ATOM 930 NE2 GLN A 115 14.734 45.102 44.193 1.00 41.04 N -ATOM 931 N TYR A 116 14.614 47.192 38.578 1.00 17.30 N -ATOM 932 CA TYR A 116 15.614 47.441 37.569 1.00 12.54 C -ATOM 933 C TYR A 116 16.621 48.319 38.251 1.00 11.92 C -ATOM 934 O TYR A 116 16.240 49.206 39.009 1.00 23.23 O -ATOM 935 CB TYR A 116 14.959 48.224 36.428 1.00 17.47 C -ATOM 936 CG TYR A 116 15.658 48.119 35.094 1.00 25.37 C -ATOM 937 CD1 TYR A 116 15.431 47.021 34.254 1.00 26.69 C -ATOM 938 CD2 TYR A 116 16.556 49.103 34.669 1.00 26.52 C -ATOM 939 CE1 TYR A 116 16.083 46.905 33.037 1.00 29.49 C -ATOM 940 CE2 TYR A 116 17.209 48.994 33.450 1.00 30.83 C -ATOM 941 CZ TYR A 116 16.968 47.891 32.647 1.00 29.77 C -ATOM 942 OH TYR A 116 17.633 47.754 31.460 1.00 39.02 O -ATOM 943 N ALA A 117 17.893 48.108 37.962 1.00 12.33 N -ATOM 944 CA ALA A 117 18.959 48.905 38.547 1.00 15.89 C -ATOM 945 C ALA A 117 20.031 49.134 37.518 1.00 22.97 C -ATOM 946 O ALA A 117 20.437 48.196 36.827 1.00 31.48 O -ATOM 947 CB ALA A 117 19.556 48.198 39.729 1.00 23.45 C -ATOM 948 N TYR A 118 20.524 50.365 37.450 1.00 22.86 N -ATOM 949 CA TYR A 118 21.566 50.727 36.502 1.00 22.98 C -ATOM 950 C TYR A 118 22.782 51.189 37.270 1.00 21.92 C -ATOM 951 O TYR A 118 22.712 52.151 38.023 1.00 26.24 O -ATOM 952 CB TYR A 118 21.071 51.841 35.566 1.00 23.67 C -ATOM 953 CG TYR A 118 22.118 52.398 34.620 1.00 18.47 C -ATOM 954 CD1 TYR A 118 22.889 51.556 33.826 1.00 18.66 C -ATOM 955 CD2 TYR A 118 22.340 53.766 34.532 1.00 12.65 C -ATOM 956 CE1 TYR A 118 23.858 52.061 32.975 1.00 21.26 C -ATOM 957 CE2 TYR A 118 23.301 54.283 33.678 1.00 12.56 C -ATOM 958 CZ TYR A 118 24.058 53.430 32.895 1.00 19.39 C -ATOM 959 OH TYR A 118 24.976 53.941 31.981 1.00 25.99 O -ATOM 960 N ASP A 119 23.892 50.491 37.059 1.00 31.62 N -ATOM 961 CA ASP A 119 25.177 50.776 37.708 1.00 35.96 C -ATOM 962 C ASP A 119 25.220 50.490 39.222 1.00 38.28 C -ATOM 963 O ASP A 119 25.992 51.111 39.962 1.00 42.76 O -ATOM 964 CB ASP A 119 25.639 52.219 37.412 1.00 38.76 C -ATOM 965 CG ASP A 119 26.421 52.347 36.093 1.00 42.17 C -ATOM 966 OD1 ASP A 119 26.719 51.308 35.467 1.00 45.50 O -ATOM 967 OD2 ASP A 119 26.762 53.490 35.694 1.00 32.26 O -ATOM 968 N GLY A 120 24.431 49.513 39.664 1.00 38.19 N -ATOM 969 CA GLY A 120 24.399 49.153 41.074 1.00 40.48 C -ATOM 970 C GLY A 120 23.427 49.927 41.947 1.00 39.54 C -ATOM 971 O GLY A 120 23.252 49.607 43.121 1.00 44.56 O -ATOM 972 N LYS A 121 22.762 50.916 41.364 1.00 40.43 N -ATOM 973 CA LYS A 121 21.822 51.750 42.095 1.00 36.13 C -ATOM 974 C LYS A 121 20.422 51.572 41.546 1.00 31.65 C -ATOM 975 O LYS A 121 20.244 51.316 40.366 1.00 36.08 O -ATOM 976 CB LYS A 121 22.260 53.218 41.990 1.00 42.51 C -ATOM 977 CG LYS A 121 21.301 54.213 42.608 1.00 50.14 C -ATOM 978 CD LYS A 121 21.733 55.645 42.365 1.00 52.45 C -ATOM 979 CE LYS A 121 20.578 56.577 42.667 1.00 55.73 C -ATOM 980 NZ LYS A 121 20.847 57.945 42.156 1.00 62.81 N -ATOM 981 N ASP A 122 19.432 51.691 42.420 1.00 35.27 N -ATOM 982 CA ASP A 122 18.041 51.552 42.033 1.00 32.85 C -ATOM 983 C ASP A 122 17.745 52.496 40.888 1.00 31.75 C -ATOM 984 O ASP A 122 18.289 53.595 40.825 1.00 32.14 O -ATOM 985 CB ASP A 122 17.122 51.884 43.210 1.00 40.03 C -ATOM 986 CG ASP A 122 17.153 50.830 44.305 1.00 42.28 C -ATOM 987 OD1 ASP A 122 17.167 49.624 43.990 1.00 44.75 O -ATOM 988 OD2 ASP A 122 17.132 51.214 45.491 1.00 49.41 O -ATOM 989 N TYR A 123 16.899 52.052 39.967 1.00 32.44 N -ATOM 990 CA TYR A 123 16.538 52.866 38.812 1.00 29.95 C -ATOM 991 C TYR A 123 15.033 52.994 38.769 1.00 29.63 C -ATOM 992 O TYR A 123 14.498 54.101 38.742 1.00 34.22 O -ATOM 993 CB TYR A 123 17.052 52.239 37.513 1.00 29.73 C -ATOM 994 CG TYR A 123 16.766 53.084 36.299 1.00 32.44 C -ATOM 995 CD1 TYR A 123 17.461 54.266 36.080 1.00 32.34 C -ATOM 996 CD2 TYR A 123 15.768 52.726 35.390 1.00 30.68 C -ATOM 997 CE1 TYR A 123 17.171 55.066 34.998 1.00 31.05 C -ATOM 998 CE2 TYR A 123 15.473 53.523 34.308 1.00 21.48 C -ATOM 999 CZ TYR A 123 16.179 54.690 34.115 1.00 29.98 C -ATOM 1000 OH TYR A 123 15.929 55.491 33.024 1.00 38.15 O -ATOM 1001 N ILE A 124 14.348 51.864 38.709 1.00 26.29 N -ATOM 1002 CA ILE A 124 12.897 51.883 38.709 1.00 27.93 C -ATOM 1003 C ILE A 124 12.400 50.532 39.203 1.00 33.20 C -ATOM 1004 O ILE A 124 13.028 49.493 38.945 1.00 38.56 O -ATOM 1005 CB ILE A 124 12.282 52.241 37.315 1.00 27.01 C -ATOM 1006 CG1 ILE A 124 10.767 52.453 37.464 1.00 27.17 C -ATOM 1007 CG2 ILE A 124 12.549 51.122 36.308 1.00 28.49 C -ATOM 1008 CD1 ILE A 124 10.058 53.026 36.272 1.00 26.86 C -ATOM 1009 N ALA A 125 11.306 50.563 39.958 1.00 31.57 N -ATOM 1010 CA ALA A 125 10.707 49.363 40.517 1.00 28.82 C -ATOM 1011 C ALA A 125 9.197 49.509 40.537 1.00 29.54 C -ATOM 1012 O ALA A 125 8.672 50.619 40.639 1.00 29.14 O -ATOM 1013 CB ALA A 125 11.228 49.128 41.915 1.00 28.12 C -ATOM 1014 N LEU A 126 8.510 48.384 40.406 1.00 29.94 N -ATOM 1015 CA LEU A 126 7.052 48.343 40.404 1.00 37.76 C -ATOM 1016 C LEU A 126 6.574 48.334 41.860 1.00 40.83 C -ATOM 1017 O LEU A 126 7.048 47.517 42.648 1.00 46.72 O -ATOM 1018 CB LEU A 126 6.581 47.057 39.692 1.00 31.66 C -ATOM 1019 CG LEU A 126 5.095 46.750 39.455 1.00 28.39 C -ATOM 1020 CD1 LEU A 126 4.503 47.781 38.497 1.00 15.22 C -ATOM 1021 CD2 LEU A 126 4.934 45.324 38.902 1.00 19.68 C -ATOM 1022 N LYS A 127 5.676 49.248 42.228 1.00 41.69 N -ATOM 1023 CA LYS A 127 5.163 49.285 43.596 1.00 41.32 C -ATOM 1024 C LYS A 127 4.366 48.033 43.922 1.00 44.80 C -ATOM 1025 O LYS A 127 3.738 47.435 43.047 1.00 42.21 O -ATOM 1026 CB LYS A 127 4.295 50.514 43.838 1.00 39.61 C -ATOM 1027 CG LYS A 127 5.082 51.794 44.004 1.00 40.53 C -ATOM 1028 CD LYS A 127 4.176 52.954 44.380 1.00 43.19 C -ATOM 1029 CE LYS A 127 4.971 54.239 44.514 1.00 50.62 C -ATOM 1030 NZ LYS A 127 4.119 55.376 44.951 1.00 56.97 N -ATOM 1031 N GLU A 128 4.343 47.692 45.206 1.00 50.56 N -ATOM 1032 CA GLU A 128 3.652 46.508 45.733 1.00 52.58 C -ATOM 1033 C GLU A 128 2.247 46.207 45.181 1.00 49.26 C -ATOM 1034 O GLU A 128 1.817 45.052 45.171 1.00 44.22 O -ATOM 1035 CB GLU A 128 3.604 46.606 47.263 1.00 59.83 C -ATOM 1036 CG GLU A 128 3.065 45.364 47.966 1.00 74.98 C -ATOM 1037 CD GLU A 128 3.246 45.404 49.481 1.00 82.57 C -ATOM 1038 OE1 GLU A 128 3.106 46.495 50.085 1.00 89.62 O -ATOM 1039 OE2 GLU A 128 3.524 44.331 50.065 1.00 86.09 O -ATOM 1040 N ASP A 129 1.531 47.246 44.751 1.00 48.72 N -ATOM 1041 CA ASP A 129 0.172 47.102 44.206 1.00 49.14 C -ATOM 1042 C ASP A 129 0.185 46.591 42.762 1.00 49.73 C -ATOM 1043 O ASP A 129 -0.869 46.336 42.164 1.00 47.39 O -ATOM 1044 CB ASP A 129 -0.589 48.442 44.283 1.00 47.08 C -ATOM 1045 CG ASP A 129 -0.094 49.489 43.261 1.00 49.63 C -ATOM 1046 OD1 ASP A 129 1.068 49.425 42.784 1.00 51.48 O -ATOM 1047 OD2 ASP A 129 -0.889 50.398 42.940 1.00 46.95 O -ATOM 1048 N LEU A 130 1.394 46.497 42.207 1.00 44.33 N -ATOM 1049 CA LEU A 130 1.616 46.030 40.849 1.00 39.16 C -ATOM 1050 C LEU A 130 0.835 46.862 39.832 1.00 38.62 C -ATOM 1051 O LEU A 130 0.269 46.309 38.887 1.00 37.77 O -ATOM 1052 CB LEU A 130 1.243 44.544 40.725 1.00 32.19 C -ATOM 1053 CG LEU A 130 1.799 43.539 41.750 1.00 29.94 C -ATOM 1054 CD1 LEU A 130 1.407 42.110 41.341 1.00 22.08 C -ATOM 1055 CD2 LEU A 130 3.316 43.675 41.907 1.00 27.03 C -ATOM 1056 N ARG A 131 0.783 48.180 40.047 1.00 36.32 N -ATOM 1057 CA ARG A 131 0.081 49.089 39.134 1.00 33.61 C -ATOM 1058 C ARG A 131 0.851 50.374 38.861 1.00 33.76 C -ATOM 1059 O ARG A 131 0.610 51.045 37.858 1.00 35.76 O -ATOM 1060 CB ARG A 131 -1.282 49.483 39.679 1.00 36.62 C -ATOM 1061 CG ARG A 131 -2.268 48.378 39.844 1.00 39.17 C -ATOM 1062 CD ARG A 131 -3.478 48.934 40.550 1.00 55.43 C -ATOM 1063 NE ARG A 131 -4.398 47.871 40.904 1.00 72.42 N -ATOM 1064 CZ ARG A 131 -5.701 48.032 41.115 1.00 86.59 C -ATOM 1065 NH1 ARG A 131 -6.262 49.238 41.033 1.00 93.18 N -ATOM 1066 NH2 ARG A 131 -6.461 46.964 41.334 1.00 92.68 N -ATOM 1067 N SER A 132 1.744 50.745 39.766 1.00 33.78 N -ATOM 1068 CA SER A 132 2.512 51.972 39.584 1.00 37.17 C -ATOM 1069 C SER A 132 4.021 51.738 39.718 1.00 34.75 C -ATOM 1070 O SER A 132 4.452 50.625 40.071 1.00 27.41 O -ATOM 1071 CB SER A 132 2.027 53.059 40.557 1.00 39.79 C -ATOM 1072 OG SER A 132 1.188 52.516 41.567 1.00 41.74 O -ATOM 1073 N TRP A 133 4.797 52.802 39.481 1.00 30.60 N -ATOM 1074 CA TRP A 133 6.255 52.751 39.524 1.00 31.40 C -ATOM 1075 C TRP A 133 6.922 53.768 40.443 1.00 37.00 C -ATOM 1076 O TRP A 133 6.417 54.864 40.668 1.00 41.01 O -ATOM 1077 CB TRP A 133 6.820 52.934 38.115 1.00 27.71 C -ATOM 1078 CG TRP A 133 6.226 51.986 37.153 1.00 30.97 C -ATOM 1079 CD1 TRP A 133 5.054 52.136 36.465 1.00 26.99 C -ATOM 1080 CD2 TRP A 133 6.734 50.689 36.814 1.00 29.27 C -ATOM 1081 NE1 TRP A 133 4.791 51.009 35.724 1.00 28.62 N -ATOM 1082 CE2 TRP A 133 5.807 50.104 35.917 1.00 31.89 C -ATOM 1083 CE3 TRP A 133 7.872 49.966 37.184 1.00 24.40 C -ATOM 1084 CZ2 TRP A 133 5.988 48.821 35.382 1.00 31.36 C -ATOM 1085 CZ3 TRP A 133 8.055 48.691 36.656 1.00 28.75 C -ATOM 1086 CH2 TRP A 133 7.115 48.132 35.763 1.00 31.71 C -ATOM 1087 N THR A 134 8.098 53.399 40.931 1.00 38.90 N -ATOM 1088 CA THR A 134 8.884 54.247 41.799 1.00 38.92 C -ATOM 1089 C THR A 134 10.127 54.559 40.985 1.00 36.00 C -ATOM 1090 O THR A 134 10.978 53.699 40.810 1.00 34.05 O -ATOM 1091 CB THR A 134 9.318 53.479 43.061 1.00 44.16 C -ATOM 1092 OG1 THR A 134 8.162 53.004 43.763 1.00 47.61 O -ATOM 1093 CG2 THR A 134 10.152 54.377 43.976 1.00 49.86 C -ATOM 1094 N ALA A 135 10.207 55.762 40.440 1.00 32.67 N -ATOM 1095 CA ALA A 135 11.361 56.140 39.652 1.00 30.86 C -ATOM 1096 C ALA A 135 12.340 56.931 40.498 1.00 35.27 C -ATOM 1097 O ALA A 135 11.952 57.881 41.172 1.00 38.66 O -ATOM 1098 CB ALA A 135 10.932 56.958 38.461 1.00 27.43 C -ATOM 1099 N ALA A 136 13.606 56.534 40.456 1.00 33.74 N -ATOM 1100 CA ALA A 136 14.648 57.209 41.209 1.00 34.39 C -ATOM 1101 C ALA A 136 14.840 58.672 40.792 1.00 39.16 C -ATOM 1102 O ALA A 136 14.347 59.574 41.444 1.00 42.25 O -ATOM 1103 CB ALA A 136 15.953 56.442 41.087 1.00 35.36 C -ATOM 1104 N ASP A 137 15.529 58.901 39.684 1.00 43.05 N -ATOM 1105 CA ASP A 137 15.796 60.257 39.215 1.00 41.76 C -ATOM 1106 C ASP A 137 14.913 60.714 38.052 1.00 45.89 C -ATOM 1107 O ASP A 137 13.811 60.192 37.856 1.00 47.87 O -ATOM 1108 CB ASP A 137 17.269 60.364 38.833 1.00 45.09 C -ATOM 1109 CG ASP A 137 17.784 59.116 38.135 1.00 44.68 C -ATOM 1110 OD1 ASP A 137 17.014 58.440 37.425 1.00 47.02 O -ATOM 1111 OD2 ASP A 137 18.972 58.803 38.308 1.00 51.63 O -ATOM 1112 N MET A 138 15.399 61.696 37.287 1.00 44.16 N -ATOM 1113 CA MET A 138 14.663 62.220 36.136 1.00 43.28 C -ATOM 1114 C MET A 138 14.587 61.175 35.029 1.00 39.33 C -ATOM 1115 O MET A 138 13.542 61.013 34.394 1.00 37.01 O -ATOM 1116 CB MET A 138 15.327 63.490 35.595 1.00 46.96 C -ATOM 1117 CG MET A 138 15.259 64.684 36.534 1.00 52.53 C -ATOM 1118 SD MET A 138 13.580 65.252 36.867 1.00 57.91 S -ATOM 1119 CE MET A 138 13.329 66.325 35.470 1.00 54.52 C -ATOM 1120 N ALA A 139 15.709 60.488 34.801 1.00 37.23 N -ATOM 1121 CA ALA A 139 15.808 59.441 33.787 1.00 31.49 C -ATOM 1122 C ALA A 139 14.734 58.402 34.069 1.00 32.22 C -ATOM 1123 O ALA A 139 13.857 58.159 33.247 1.00 38.57 O -ATOM 1124 CB ALA A 139 17.181 58.807 33.829 1.00 26.07 C -ATOM 1125 N ALA A 140 14.757 57.860 35.279 1.00 35.06 N -ATOM 1126 CA ALA A 140 13.788 56.864 35.710 1.00 34.73 C -ATOM 1127 C ALA A 140 12.367 57.343 35.431 1.00 39.42 C -ATOM 1128 O ALA A 140 11.472 56.547 35.128 1.00 40.03 O -ATOM 1129 CB ALA A 140 13.967 56.587 37.175 1.00 29.31 C -ATOM 1130 N GLN A 141 12.158 58.651 35.527 1.00 44.41 N -ATOM 1131 CA GLN A 141 10.840 59.216 35.271 1.00 45.73 C -ATOM 1132 C GLN A 141 10.454 59.111 33.809 1.00 44.07 C -ATOM 1133 O GLN A 141 9.294 58.823 33.501 1.00 45.07 O -ATOM 1134 CB GLN A 141 10.757 60.658 35.756 1.00 47.67 C -ATOM 1135 CG GLN A 141 10.497 60.739 37.227 1.00 45.33 C -ATOM 1136 CD GLN A 141 10.331 62.146 37.705 1.00 45.54 C -ATOM 1137 OE1 GLN A 141 9.476 62.883 37.223 1.00 45.47 O -ATOM 1138 NE2 GLN A 141 11.136 62.529 38.675 1.00 50.38 N -ATOM 1139 N THR A 142 11.421 59.332 32.919 1.00 40.97 N -ATOM 1140 CA THR A 142 11.186 59.226 31.480 1.00 40.16 C -ATOM 1141 C THR A 142 10.671 57.808 31.210 1.00 41.30 C -ATOM 1142 O THR A 142 9.594 57.613 30.607 1.00 42.09 O -ATOM 1143 CB THR A 142 12.496 59.441 30.674 1.00 38.45 C -ATOM 1144 OG1 THR A 142 12.914 60.808 30.777 1.00 39.44 O -ATOM 1145 CG2 THR A 142 12.301 59.076 29.213 1.00 33.75 C -ATOM 1146 N THR A 143 11.432 56.833 31.702 1.00 32.32 N -ATOM 1147 CA THR A 143 11.096 55.433 31.549 1.00 26.62 C -ATOM 1148 C THR A 143 9.747 55.153 32.177 1.00 30.47 C -ATOM 1149 O THR A 143 8.929 54.405 31.633 1.00 34.95 O -ATOM 1150 CB THR A 143 12.129 54.590 32.235 1.00 24.47 C -ATOM 1151 OG1 THR A 143 13.410 54.866 31.655 1.00 17.49 O -ATOM 1152 CG2 THR A 143 11.786 53.120 32.120 1.00 23.49 C -ATOM 1153 N LYS A 144 9.507 55.778 33.321 1.00 31.90 N -ATOM 1154 CA LYS A 144 8.256 55.601 34.017 1.00 28.41 C -ATOM 1155 C LYS A 144 7.135 55.982 33.060 1.00 29.81 C -ATOM 1156 O LYS A 144 6.204 55.204 32.851 1.00 31.10 O -ATOM 1157 CB LYS A 144 8.225 56.474 35.274 1.00 30.71 C -ATOM 1158 CG LYS A 144 7.044 56.187 36.180 1.00 32.56 C -ATOM 1159 CD LYS A 144 6.990 57.110 37.385 1.00 36.07 C -ATOM 1160 CE LYS A 144 5.668 56.921 38.120 1.00 43.65 C -ATOM 1161 NZ LYS A 144 5.563 57.740 39.361 1.00 52.92 N -ATOM 1162 N HIS A 145 7.272 57.140 32.418 1.00 33.03 N -ATOM 1163 CA HIS A 145 6.266 57.623 31.480 1.00 35.65 C -ATOM 1164 C HIS A 145 6.063 56.631 30.352 1.00 34.90 C -ATOM 1165 O HIS A 145 4.931 56.303 29.992 1.00 31.53 O -ATOM 1166 CB HIS A 145 6.663 58.977 30.881 1.00 49.12 C -ATOM 1167 CG HIS A 145 5.601 59.576 29.999 1.00 59.89 C -ATOM 1168 ND1 HIS A 145 5.432 59.206 28.684 1.00 60.72 N -ATOM 1169 CD2 HIS A 145 4.623 60.469 30.275 1.00 66.73 C -ATOM 1170 CE1 HIS A 145 4.386 59.845 28.183 1.00 69.83 C -ATOM 1171 NE2 HIS A 145 3.877 60.613 29.123 1.00 71.01 N -ATOM 1172 N LYS A 146 7.170 56.205 29.760 1.00 30.16 N -ATOM 1173 CA LYS A 146 7.125 55.250 28.674 1.00 27.56 C -ATOM 1174 C LYS A 146 6.300 54.024 29.051 1.00 30.55 C -ATOM 1175 O LYS A 146 5.375 53.642 28.322 1.00 31.74 O -ATOM 1176 CB LYS A 146 8.531 54.781 28.323 1.00 27.93 C -ATOM 1177 CG LYS A 146 9.421 55.802 27.659 1.00 31.31 C -ATOM 1178 CD LYS A 146 10.593 55.087 26.990 1.00 28.91 C -ATOM 1179 CE LYS A 146 11.531 56.049 26.316 1.00 34.39 C -ATOM 1180 NZ LYS A 146 12.649 55.313 25.691 1.00 42.56 N -ATOM 1181 N TRP A 147 6.631 53.425 30.196 1.00 27.95 N -ATOM 1182 CA TRP A 147 5.967 52.218 30.665 1.00 19.99 C -ATOM 1183 C TRP A 147 4.534 52.370 31.105 1.00 20.84 C -ATOM 1184 O TRP A 147 3.765 51.415 31.030 1.00 24.43 O -ATOM 1185 CB TRP A 147 6.810 51.544 31.737 1.00 26.53 C -ATOM 1186 CG TRP A 147 8.134 51.076 31.191 1.00 30.69 C -ATOM 1187 CD1 TRP A 147 8.631 51.305 29.936 1.00 26.76 C -ATOM 1188 CD2 TRP A 147 9.133 50.300 31.884 1.00 36.26 C -ATOM 1189 NE1 TRP A 147 9.869 50.734 29.801 1.00 27.94 N -ATOM 1190 CE2 TRP A 147 10.206 50.106 30.976 1.00 31.47 C -ATOM 1191 CE3 TRP A 147 9.230 49.754 33.179 1.00 34.66 C -ATOM 1192 CZ2 TRP A 147 11.377 49.377 31.322 1.00 29.84 C -ATOM 1193 CZ3 TRP A 147 10.405 49.022 33.527 1.00 32.40 C -ATOM 1194 CH2 TRP A 147 11.455 48.846 32.592 1.00 21.23 C -ATOM 1195 N GLU A 148 4.159 53.557 31.562 1.00 26.32 N -ATOM 1196 CA GLU A 148 2.775 53.794 31.971 1.00 32.17 C -ATOM 1197 C GLU A 148 1.946 53.879 30.703 1.00 36.51 C -ATOM 1198 O GLU A 148 0.831 53.354 30.643 1.00 36.49 O -ATOM 1199 CB GLU A 148 2.643 55.097 32.769 1.00 43.59 C -ATOM 1200 CG GLU A 148 3.356 55.076 34.128 1.00 44.65 C -ATOM 1201 CD GLU A 148 3.249 56.396 34.894 1.00 48.80 C -ATOM 1202 OE1 GLU A 148 3.412 57.483 34.280 1.00 41.91 O -ATOM 1203 OE2 GLU A 148 3.021 56.331 36.126 1.00 52.12 O -ATOM 1204 N ALA A 149 2.538 54.494 29.674 1.00 45.27 N -ATOM 1205 CA ALA A 149 1.910 54.670 28.349 1.00 45.65 C -ATOM 1206 C ALA A 149 1.705 53.340 27.624 1.00 42.76 C -ATOM 1207 O ALA A 149 0.656 53.108 27.009 1.00 43.48 O -ATOM 1208 CB ALA A 149 2.748 55.609 27.476 1.00 36.12 C -ATOM 1209 N ALA A 150 2.713 52.478 27.694 1.00 40.28 N -ATOM 1210 CA ALA A 150 2.658 51.165 27.065 1.00 37.93 C -ATOM 1211 C ALA A 150 1.942 50.142 27.943 1.00 40.30 C -ATOM 1212 O ALA A 150 1.897 48.968 27.601 1.00 44.70 O -ATOM 1213 CB ALA A 150 4.052 50.680 26.740 1.00 33.20 C -ATOM 1214 N HIS A 151 1.402 50.582 29.079 1.00 39.83 N -ATOM 1215 CA HIS A 151 0.677 49.694 29.990 1.00 40.47 C -ATOM 1216 C HIS A 151 1.438 48.415 30.387 1.00 37.58 C -ATOM 1217 O HIS A 151 0.845 47.354 30.617 1.00 26.43 O -ATOM 1218 CB HIS A 151 -0.711 49.375 29.421 1.00 45.42 C -ATOM 1219 CG HIS A 151 -1.619 50.567 29.354 1.00 58.59 C -ATOM 1220 ND1 HIS A 151 -2.758 50.674 30.124 1.00 69.13 N -ATOM 1221 CD2 HIS A 151 -1.545 51.713 28.637 1.00 63.67 C -ATOM 1222 CE1 HIS A 151 -3.346 51.833 29.887 1.00 71.72 C -ATOM 1223 NE2 HIS A 151 -2.631 52.484 28.988 1.00 69.77 N -ATOM 1224 N VAL A 152 2.751 48.571 30.558 1.00 39.62 N -ATOM 1225 CA VAL A 152 3.667 47.489 30.957 1.00 43.48 C -ATOM 1226 C VAL A 152 3.275 46.873 32.317 1.00 49.12 C -ATOM 1227 O VAL A 152 3.266 45.644 32.499 1.00 50.01 O -ATOM 1228 CB VAL A 152 5.139 48.020 31.047 1.00 37.62 C -ATOM 1229 CG1 VAL A 152 6.077 46.951 31.575 1.00 34.99 C -ATOM 1230 CG2 VAL A 152 5.610 48.496 29.692 1.00 36.15 C -ATOM 1231 N ALA A 153 2.956 47.731 33.280 1.00 49.95 N -ATOM 1232 CA ALA A 153 2.564 47.255 34.598 1.00 46.09 C -ATOM 1233 C ALA A 153 1.412 46.256 34.491 1.00 41.41 C -ATOM 1234 O ALA A 153 1.485 45.175 35.059 1.00 36.15 O -ATOM 1235 CB ALA A 153 2.168 48.422 35.476 1.00 48.16 C -ATOM 1236 N GLU A 154 0.392 46.589 33.696 1.00 44.40 N -ATOM 1237 CA GLU A 154 -0.787 45.735 33.518 1.00 42.56 C -ATOM 1238 C GLU A 154 -0.480 44.374 32.953 1.00 36.72 C -ATOM 1239 O GLU A 154 -1.260 43.445 33.110 1.00 40.54 O -ATOM 1240 CB GLU A 154 -1.829 46.423 32.651 1.00 47.46 C -ATOM 1241 CG GLU A 154 -2.259 47.776 33.211 1.00 62.61 C -ATOM 1242 CD GLU A 154 -3.289 48.492 32.355 1.00 75.25 C -ATOM 1243 OE1 GLU A 154 -3.732 47.932 31.301 1.00 85.22 O -ATOM 1244 OE2 GLU A 154 -3.662 49.646 32.728 1.00 75.79 O -ATOM 1245 N GLN A 155 0.647 44.253 32.273 1.00 33.98 N -ATOM 1246 CA GLN A 155 1.040 42.969 31.732 1.00 29.12 C -ATOM 1247 C GLN A 155 1.869 42.232 32.793 1.00 28.40 C -ATOM 1248 O GLN A 155 1.747 41.019 32.945 1.00 32.32 O -ATOM 1249 CB GLN A 155 1.851 43.137 30.450 1.00 29.41 C -ATOM 1250 CG GLN A 155 1.941 41.867 29.615 1.00 28.21 C -ATOM 1251 CD GLN A 155 0.691 41.602 28.808 1.00 29.59 C -ATOM 1252 OE1 GLN A 155 0.326 42.385 27.935 1.00 37.70 O -ATOM 1253 NE2 GLN A 155 0.037 40.488 29.081 1.00 32.74 N -ATOM 1254 N LEU A 156 2.714 42.952 33.530 1.00 26.54 N -ATOM 1255 CA LEU A 156 3.524 42.309 34.572 1.00 23.35 C -ATOM 1256 C LEU A 156 2.591 41.748 35.627 1.00 26.96 C -ATOM 1257 O LEU A 156 2.764 40.623 36.085 1.00 28.02 O -ATOM 1258 CB LEU A 156 4.489 43.294 35.225 1.00 14.83 C -ATOM 1259 CG LEU A 156 5.930 43.278 34.741 1.00 10.98 C -ATOM 1260 CD1 LEU A 156 6.654 44.509 35.204 1.00 10.33 C -ATOM 1261 CD2 LEU A 156 6.622 42.031 35.213 1.00 7.66 C -ATOM 1262 N ARG A 157 1.585 42.535 35.988 1.00 27.72 N -ATOM 1263 CA ARG A 157 0.614 42.130 36.987 1.00 32.62 C -ATOM 1264 C ARG A 157 -0.009 40.790 36.629 1.00 31.80 C -ATOM 1265 O ARG A 157 -0.190 39.937 37.499 1.00 33.93 O -ATOM 1266 CB ARG A 157 -0.493 43.175 37.137 1.00 41.20 C -ATOM 1267 CG ARG A 157 -1.285 42.984 38.413 1.00 49.38 C -ATOM 1268 CD ARG A 157 -2.626 43.684 38.422 1.00 55.27 C -ATOM 1269 NE ARG A 157 -3.250 43.468 39.720 1.00 62.81 N -ATOM 1270 CZ ARG A 157 -3.918 44.388 40.402 1.00 67.00 C -ATOM 1271 NH1 ARG A 157 -4.086 45.595 39.898 1.00 62.82 N -ATOM 1272 NH2 ARG A 157 -4.271 44.154 41.662 1.00 69.44 N -ATOM 1273 N ALA A 158 -0.331 40.601 35.355 1.00 27.82 N -ATOM 1274 CA ALA A 158 -0.938 39.357 34.915 1.00 24.83 C -ATOM 1275 C ALA A 158 0.079 38.224 34.938 1.00 25.12 C -ATOM 1276 O ALA A 158 -0.291 37.052 35.011 1.00 27.06 O -ATOM 1277 CB ALA A 158 -1.541 39.523 33.531 1.00 25.99 C -ATOM 1278 N TYR A 159 1.360 38.571 34.857 1.00 23.59 N -ATOM 1279 CA TYR A 159 2.422 37.582 34.893 1.00 22.54 C -ATOM 1280 C TYR A 159 2.663 37.153 36.347 1.00 26.63 C -ATOM 1281 O TYR A 159 2.585 35.967 36.677 1.00 23.76 O -ATOM 1282 CB TYR A 159 3.722 38.148 34.287 1.00 25.80 C -ATOM 1283 CG TYR A 159 4.942 37.280 34.571 1.00 26.62 C -ATOM 1284 CD1 TYR A 159 4.987 35.946 34.157 1.00 27.21 C -ATOM 1285 CD2 TYR A 159 6.002 37.757 35.348 1.00 34.31 C -ATOM 1286 CE1 TYR A 159 6.041 35.105 34.515 1.00 19.87 C -ATOM 1287 CE2 TYR A 159 7.072 36.914 35.716 1.00 27.78 C -ATOM 1288 CZ TYR A 159 7.073 35.591 35.295 1.00 22.00 C -ATOM 1289 OH TYR A 159 8.091 34.753 35.672 1.00 21.55 O -ATOM 1290 N LEU A 160 2.956 38.132 37.202 1.00 24.74 N -ATOM 1291 CA LEU A 160 3.235 37.919 38.623 1.00 21.36 C -ATOM 1292 C LEU A 160 2.088 37.243 39.378 1.00 21.00 C -ATOM 1293 O LEU A 160 2.295 36.238 40.062 1.00 25.09 O -ATOM 1294 CB LEU A 160 3.580 39.258 39.293 1.00 15.39 C -ATOM 1295 CG LEU A 160 4.726 40.051 38.660 1.00 13.82 C -ATOM 1296 CD1 LEU A 160 4.778 41.477 39.194 1.00 9.75 C -ATOM 1297 CD2 LEU A 160 6.049 39.338 38.881 1.00 12.58 C -ATOM 1298 N GLU A 161 0.885 37.793 39.260 1.00 20.25 N -ATOM 1299 CA GLU A 161 -0.274 37.226 39.940 1.00 26.02 C -ATOM 1300 C GLU A 161 -0.735 35.895 39.375 1.00 32.68 C -ATOM 1301 O GLU A 161 -1.209 35.040 40.120 1.00 42.25 O -ATOM 1302 CB GLU A 161 -1.461 38.182 39.906 1.00 23.35 C -ATOM 1303 CG GLU A 161 -1.278 39.455 40.710 1.00 31.48 C -ATOM 1304 CD GLU A 161 -2.600 40.125 41.056 1.00 34.50 C -ATOM 1305 OE1 GLU A 161 -3.662 39.473 40.948 1.00 34.82 O -ATOM 1306 OE2 GLU A 161 -2.574 41.305 41.457 1.00 42.11 O -ATOM 1307 N GLY A 162 -0.626 35.731 38.058 1.00 35.76 N -ATOM 1308 CA GLY A 162 -1.073 34.508 37.413 1.00 32.58 C -ATOM 1309 C GLY A 162 -0.021 33.505 36.977 1.00 34.74 C -ATOM 1310 O GLY A 162 0.298 32.573 37.710 1.00 40.02 O -ATOM 1311 N THR A 163 0.565 33.715 35.808 1.00 35.21 N -ATOM 1312 CA THR A 163 1.537 32.767 35.274 1.00 35.72 C -ATOM 1313 C THR A 163 2.770 32.444 36.159 1.00 36.49 C -ATOM 1314 O THR A 163 3.169 31.275 36.278 1.00 36.00 O -ATOM 1315 CB THR A 163 1.845 33.053 33.720 1.00 31.66 C -ATOM 1316 OG1 THR A 163 3.253 33.113 33.453 1.00 27.98 O -ATOM 1317 CG2 THR A 163 1.171 34.337 33.240 1.00 33.92 C -ATOM 1318 N CYS A 164 3.298 33.437 36.867 1.00 33.91 N -ATOM 1319 CA CYS A 164 4.456 33.212 37.734 1.00 32.78 C -ATOM 1320 C CYS A 164 4.055 32.199 38.819 1.00 36.15 C -ATOM 1321 O CYS A 164 4.712 31.176 39.039 1.00 34.86 O -ATOM 1322 CB CYS A 164 4.879 34.530 38.386 1.00 32.11 C -ATOM 1323 SG CYS A 164 6.355 34.427 39.457 1.00 35.63 S -ATOM 1324 N VAL A 165 2.911 32.450 39.436 1.00 33.97 N -ATOM 1325 CA VAL A 165 2.421 31.586 40.484 1.00 30.77 C -ATOM 1326 C VAL A 165 2.185 30.180 39.960 1.00 32.10 C -ATOM 1327 O VAL A 165 2.777 29.228 40.456 1.00 33.45 O -ATOM 1328 CB VAL A 165 1.134 32.164 41.103 1.00 27.78 C -ATOM 1329 CG1 VAL A 165 0.501 31.161 42.010 1.00 27.17 C -ATOM 1330 CG2 VAL A 165 1.449 33.433 41.867 1.00 25.00 C -ATOM 1331 N GLU A 166 1.365 30.066 38.920 1.00 37.00 N -ATOM 1332 CA GLU A 166 1.023 28.779 38.313 1.00 42.44 C -ATOM 1333 C GLU A 166 2.236 27.898 38.022 1.00 42.17 C -ATOM 1334 O GLU A 166 2.208 26.678 38.235 1.00 41.21 O -ATOM 1335 CB GLU A 166 0.228 29.006 37.018 1.00 53.25 C -ATOM 1336 CG GLU A 166 -0.290 27.724 36.320 1.00 71.87 C -ATOM 1337 CD GLU A 166 -1.443 27.033 37.070 1.00 82.74 C -ATOM 1338 OE1 GLU A 166 -2.265 27.746 37.694 1.00 89.03 O -ATOM 1339 OE2 GLU A 166 -1.538 25.781 37.023 1.00 84.94 O -ATOM 1340 N TRP A 167 3.305 28.522 37.547 1.00 39.64 N -ATOM 1341 CA TRP A 167 4.511 27.794 37.212 1.00 34.51 C -ATOM 1342 C TRP A 167 5.310 27.363 38.413 1.00 37.19 C -ATOM 1343 O TRP A 167 5.896 26.283 38.396 1.00 39.22 O -ATOM 1344 CB TRP A 167 5.350 28.593 36.207 1.00 34.01 C -ATOM 1345 CG TRP A 167 4.768 28.409 34.854 1.00 32.84 C -ATOM 1346 CD1 TRP A 167 3.643 29.009 34.363 1.00 29.86 C -ATOM 1347 CD2 TRP A 167 5.106 27.380 33.928 1.00 29.54 C -ATOM 1348 NE1 TRP A 167 3.236 28.388 33.216 1.00 24.45 N -ATOM 1349 CE2 TRP A 167 4.117 27.384 32.922 1.00 30.39 C -ATOM 1350 CE3 TRP A 167 6.146 26.439 33.859 1.00 32.42 C -ATOM 1351 CZ2 TRP A 167 4.131 26.481 31.859 1.00 33.54 C -ATOM 1352 CZ3 TRP A 167 6.165 25.540 32.804 1.00 34.73 C -ATOM 1353 CH2 TRP A 167 5.160 25.566 31.816 1.00 35.11 C -ATOM 1354 N LEU A 168 5.310 28.190 39.462 1.00 39.09 N -ATOM 1355 CA LEU A 168 6.036 27.888 40.698 1.00 34.13 C -ATOM 1356 C LEU A 168 5.438 26.638 41.298 1.00 32.93 C -ATOM 1357 O LEU A 168 6.164 25.747 41.707 1.00 34.99 O -ATOM 1358 CB LEU A 168 5.934 29.038 41.698 1.00 30.67 C -ATOM 1359 CG LEU A 168 6.511 28.865 43.110 1.00 24.83 C -ATOM 1360 CD1 LEU A 168 8.013 28.722 43.114 1.00 22.65 C -ATOM 1361 CD2 LEU A 168 6.087 30.062 43.934 1.00 19.99 C -ATOM 1362 N ARG A 169 4.111 26.578 41.342 1.00 30.17 N -ATOM 1363 CA ARG A 169 3.425 25.411 41.873 1.00 29.02 C -ATOM 1364 C ARG A 169 3.855 24.191 41.094 1.00 30.42 C -ATOM 1365 O ARG A 169 4.099 23.141 41.674 1.00 37.40 O -ATOM 1366 CB ARG A 169 1.914 25.565 41.757 1.00 28.28 C -ATOM 1367 CG ARG A 169 1.347 26.667 42.623 1.00 30.50 C -ATOM 1368 CD ARG A 169 -0.144 26.771 42.440 1.00 29.21 C -ATOM 1369 NE ARG A 169 -0.605 28.078 42.880 1.00 32.23 N -ATOM 1370 CZ ARG A 169 -1.612 28.737 42.321 1.00 34.51 C -ATOM 1371 NH1 ARG A 169 -2.262 28.205 41.301 1.00 37.48 N -ATOM 1372 NH2 ARG A 169 -1.970 29.931 42.777 1.00 33.86 N -ATOM 1373 N ARG A 170 3.957 24.342 39.777 1.00 35.58 N -ATOM 1374 CA ARG A 170 4.373 23.251 38.892 1.00 35.85 C -ATOM 1375 C ARG A 170 5.764 22.798 39.308 1.00 33.74 C -ATOM 1376 O ARG A 170 5.978 21.642 39.628 1.00 35.36 O -ATOM 1377 CB ARG A 170 4.376 23.719 37.412 1.00 31.64 C -ATOM 1378 N TYR A 171 6.689 23.744 39.368 1.00 36.06 N -ATOM 1379 CA TYR A 171 8.064 23.462 39.745 1.00 34.87 C -ATOM 1380 C TYR A 171 8.138 22.794 41.117 1.00 35.91 C -ATOM 1381 O TYR A 171 8.761 21.748 41.285 1.00 37.26 O -ATOM 1382 CB TYR A 171 8.872 24.760 39.720 1.00 30.82 C -ATOM 1383 CG TYR A 171 8.971 25.386 38.341 1.00 37.84 C -ATOM 1384 CD1 TYR A 171 8.839 24.610 37.191 1.00 36.00 C -ATOM 1385 CD2 TYR A 171 9.181 26.757 38.184 1.00 39.98 C -ATOM 1386 CE1 TYR A 171 8.911 25.178 35.925 1.00 38.11 C -ATOM 1387 CE2 TYR A 171 9.255 27.338 36.913 1.00 39.50 C -ATOM 1388 CZ TYR A 171 9.114 26.537 35.788 1.00 37.97 C -ATOM 1389 OH TYR A 171 9.156 27.099 34.528 1.00 38.42 O -ATOM 1390 N LEU A 172 7.448 23.376 42.085 1.00 35.11 N -ATOM 1391 CA LEU A 172 7.422 22.841 43.426 1.00 35.60 C -ATOM 1392 C LEU A 172 6.968 21.387 43.347 1.00 39.85 C -ATOM 1393 O LEU A 172 7.692 20.479 43.754 1.00 43.67 O -ATOM 1394 CB LEU A 172 6.464 23.659 44.312 1.00 28.84 C -ATOM 1395 CG LEU A 172 6.821 25.131 44.596 1.00 23.20 C -ATOM 1396 CD1 LEU A 172 5.708 25.834 45.348 1.00 12.56 C -ATOM 1397 CD2 LEU A 172 8.124 25.229 45.345 1.00 22.84 C -ATOM 1398 N GLU A 173 5.833 21.160 42.700 1.00 41.08 N -ATOM 1399 CA GLU A 173 5.288 19.819 42.590 1.00 44.15 C -ATOM 1400 C GLU A 173 6.204 18.817 41.877 1.00 48.07 C -ATOM 1401 O GLU A 173 6.418 17.711 42.378 1.00 55.01 O -ATOM 1402 CB GLU A 173 3.875 19.860 41.978 1.00 45.29 C -ATOM 1403 CG GLU A 173 3.119 18.530 42.016 1.00 60.31 C -ATOM 1404 CD GLU A 173 3.048 17.877 43.417 1.00 73.48 C -ATOM 1405 OE1 GLU A 173 3.279 18.557 44.446 1.00 79.94 O -ATOM 1406 OE2 GLU A 173 2.752 16.661 43.492 1.00 77.61 O -ATOM 1407 N ASN A 174 6.795 19.203 40.751 1.00 48.91 N -ATOM 1408 CA ASN A 174 7.676 18.281 40.022 1.00 47.00 C -ATOM 1409 C ASN A 174 9.004 18.132 40.751 1.00 45.94 C -ATOM 1410 O ASN A 174 9.668 17.102 40.639 1.00 46.86 O -ATOM 1411 CB ASN A 174 7.939 18.755 38.580 1.00 48.97 C -ATOM 1412 CG ASN A 174 6.661 18.978 37.780 1.00 50.90 C -ATOM 1413 OD1 ASN A 174 6.550 19.950 37.031 1.00 55.15 O -ATOM 1414 ND2 ASN A 174 5.691 18.088 37.937 1.00 50.55 N -ATOM 1415 N GLY A 175 9.396 19.178 41.471 1.00 45.11 N -ATOM 1416 CA GLY A 175 10.650 19.154 42.204 1.00 50.30 C -ATOM 1417 C GLY A 175 10.484 18.859 43.688 1.00 52.79 C -ATOM 1418 O GLY A 175 11.427 19.024 44.471 1.00 51.17 O -ATOM 1419 N LYS A 176 9.305 18.364 44.053 1.00 52.16 N -ATOM 1420 CA LYS A 176 8.945 18.043 45.428 1.00 58.43 C -ATOM 1421 C LYS A 176 10.107 17.683 46.347 1.00 60.18 C -ATOM 1422 O LYS A 176 10.447 18.450 47.254 1.00 62.70 O -ATOM 1423 CB LYS A 176 7.915 16.916 45.435 1.00 62.46 C -ATOM 1424 CG LYS A 176 7.213 16.693 46.774 1.00 65.61 C -ATOM 1425 CD LYS A 176 6.132 15.621 46.630 1.00 69.31 C -ATOM 1426 CE LYS A 176 5.202 15.582 47.831 1.00 72.32 C -ATOM 1427 NZ LYS A 176 3.999 14.744 47.565 1.00 68.47 N -ATOM 1428 N GLU A 177 10.743 16.548 46.068 1.00 58.52 N -ATOM 1429 CA GLU A 177 11.850 16.075 46.882 1.00 53.22 C -ATOM 1430 C GLU A 177 12.915 17.100 47.214 1.00 50.45 C -ATOM 1431 O GLU A 177 13.388 17.142 48.345 1.00 47.86 O -ATOM 1432 N THR A 178 13.306 17.904 46.229 1.00 48.17 N -ATOM 1433 CA THR A 178 14.332 18.920 46.429 1.00 50.94 C -ATOM 1434 C THR A 178 13.796 20.208 47.049 1.00 52.73 C -ATOM 1435 O THR A 178 14.287 20.673 48.080 1.00 56.83 O -ATOM 1436 CB THR A 178 15.023 19.298 45.084 1.00 52.55 C -ATOM 1437 OG1 THR A 178 15.734 18.166 44.572 1.00 55.39 O -ATOM 1438 CG2 THR A 178 15.998 20.472 45.257 1.00 50.19 C -ATOM 1439 N LEU A 179 12.799 20.791 46.398 1.00 51.21 N -ATOM 1440 CA LEU A 179 12.226 22.058 46.832 1.00 46.68 C -ATOM 1441 C LEU A 179 11.506 22.066 48.168 1.00 45.03 C -ATOM 1442 O LEU A 179 11.686 22.987 48.969 1.00 43.43 O -ATOM 1443 CB LEU A 179 11.304 22.590 45.740 1.00 44.15 C -ATOM 1444 CG LEU A 179 12.016 22.763 44.405 1.00 42.03 C -ATOM 1445 CD1 LEU A 179 11.023 23.204 43.342 1.00 46.71 C -ATOM 1446 CD2 LEU A 179 13.145 23.769 44.579 1.00 34.31 C -ATOM 1447 N GLN A 180 10.661 21.071 48.396 1.00 44.13 N -ATOM 1448 CA GLN A 180 9.909 21.009 49.636 1.00 47.24 C -ATOM 1449 C GLN A 180 10.678 20.278 50.744 1.00 49.52 C -ATOM 1450 O GLN A 180 10.211 19.273 51.291 1.00 50.99 O -ATOM 1451 CB GLN A 180 8.548 20.369 49.370 1.00 47.73 C -ATOM 1452 CG GLN A 180 7.662 21.193 48.464 1.00 46.29 C -ATOM 1453 CD GLN A 180 6.260 20.643 48.381 1.00 55.18 C -ATOM 1454 OE1 GLN A 180 5.749 20.388 47.294 1.00 62.17 O -ATOM 1455 NE2 GLN A 180 5.630 20.441 49.535 1.00 58.78 N -ATOM 1456 N ARG A 181 11.854 20.796 51.084 1.00 49.29 N -ATOM 1457 CA ARG A 181 12.672 20.175 52.116 1.00 47.24 C -ATOM 1458 C ARG A 181 13.319 21.190 53.052 1.00 45.77 C -ATOM 1459 O ARG A 181 13.522 22.362 52.702 1.00 39.32 O -ATOM 1460 CB ARG A 181 13.752 19.279 51.498 1.00 46.81 C -ATOM 1461 CG ARG A 181 15.029 20.011 51.114 1.00 51.99 C -ATOM 1462 CD ARG A 181 16.052 19.070 50.512 1.00 57.90 C -ATOM 1463 NE ARG A 181 17.378 19.682 50.477 1.00 63.94 N -ATOM 1464 CZ ARG A 181 17.726 20.702 49.696 1.00 65.10 C -ATOM 1465 NH1 ARG A 181 16.846 21.248 48.864 1.00 60.87 N -ATOM 1466 NH2 ARG A 181 18.969 21.168 49.741 1.00 65.16 N -ATOM 1467 N THR A 182 13.662 20.691 54.235 1.00 46.69 N -ATOM 1468 CA THR A 182 14.289 21.478 55.272 1.00 47.41 C -ATOM 1469 C THR A 182 15.373 20.681 55.966 1.00 46.61 C -ATOM 1470 O THR A 182 15.098 19.755 56.730 1.00 50.82 O -ATOM 1471 CB THR A 182 13.274 21.912 56.327 1.00 49.37 C -ATOM 1472 OG1 THR A 182 12.231 22.674 55.703 1.00 54.13 O -ATOM 1473 CG2 THR A 182 13.954 22.753 57.385 1.00 51.16 C -ATOM 1474 N ASP A 183 16.612 21.031 55.661 1.00 48.04 N -ATOM 1475 CA ASP A 183 17.768 20.399 56.263 1.00 46.03 C -ATOM 1476 C ASP A 183 18.209 21.328 57.395 1.00 44.61 C -ATOM 1477 O ASP A 183 18.564 22.487 57.156 1.00 44.63 O -ATOM 1478 CB ASP A 183 18.883 20.250 55.224 1.00 48.60 C -ATOM 1479 CG ASP A 183 18.535 19.252 54.124 1.00 55.68 C -ATOM 1480 OD1 ASP A 183 17.521 18.529 54.266 1.00 58.30 O -ATOM 1481 OD2 ASP A 183 19.286 19.180 53.121 1.00 60.96 O -ATOM 1482 N ALA A 184 18.087 20.862 58.632 1.00 40.60 N -ATOM 1483 CA ALA A 184 18.486 21.677 59.776 1.00 37.27 C -ATOM 1484 C ALA A 184 20.006 21.701 59.837 1.00 33.05 C -ATOM 1485 O ALA A 184 20.674 20.826 59.291 1.00 33.98 O -ATOM 1486 CB ALA A 184 17.896 21.122 61.082 1.00 41.27 C -ATOM 1487 N PRO A 185 20.572 22.722 60.482 1.00 30.20 N -ATOM 1488 CA PRO A 185 22.028 22.791 60.565 1.00 33.72 C -ATOM 1489 C PRO A 185 22.674 21.789 61.524 1.00 38.84 C -ATOM 1490 O PRO A 185 22.141 21.489 62.601 1.00 36.40 O -ATOM 1491 CB PRO A 185 22.272 24.240 60.981 1.00 32.85 C -ATOM 1492 CG PRO A 185 21.064 24.563 61.801 1.00 32.15 C -ATOM 1493 CD PRO A 185 19.939 23.920 61.052 1.00 30.30 C -ATOM 1494 N LYS A 186 23.777 21.207 61.063 1.00 39.54 N -ATOM 1495 CA LYS A 186 24.557 20.267 61.849 1.00 43.53 C -ATOM 1496 C LYS A 186 25.615 21.163 62.482 1.00 42.99 C -ATOM 1497 O LYS A 186 26.587 21.563 61.835 1.00 42.63 O -ATOM 1498 CB LYS A 186 25.225 19.214 60.960 1.00 44.25 C -ATOM 1499 CG LYS A 186 24.298 18.226 60.270 1.00 44.19 C -ATOM 1500 CD LYS A 186 25.134 17.329 59.364 1.00 55.05 C -ATOM 1501 CE LYS A 186 24.301 16.590 58.317 1.00 64.44 C -ATOM 1502 NZ LYS A 186 25.156 16.192 57.141 1.00 64.23 N -ATOM 1503 N THR A 187 25.394 21.502 63.742 1.00 43.83 N -ATOM 1504 CA THR A 187 26.269 22.389 64.487 1.00 40.53 C -ATOM 1505 C THR A 187 27.350 21.689 65.317 1.00 39.16 C -ATOM 1506 O THR A 187 27.317 20.466 65.490 1.00 36.78 O -ATOM 1507 CB THR A 187 25.397 23.283 65.389 1.00 43.36 C -ATOM 1508 OG1 THR A 187 24.362 22.484 65.991 1.00 43.38 O -ATOM 1509 CG2 THR A 187 24.732 24.379 64.564 1.00 40.64 C -ATOM 1510 N HIS A 188 28.347 22.470 65.749 1.00 38.35 N -ATOM 1511 CA HIS A 188 29.461 22.002 66.595 1.00 34.02 C -ATOM 1512 C HIS A 188 30.331 23.208 66.935 1.00 31.83 C -ATOM 1513 O HIS A 188 30.122 24.273 66.370 1.00 34.03 O -ATOM 1514 CB HIS A 188 30.284 20.899 65.915 1.00 36.88 C -ATOM 1515 CG HIS A 188 31.216 21.387 64.848 1.00 37.59 C -ATOM 1516 ND1 HIS A 188 30.779 21.878 63.638 1.00 36.38 N -ATOM 1517 CD2 HIS A 188 32.569 21.435 64.806 1.00 35.57 C -ATOM 1518 CE1 HIS A 188 31.821 22.209 62.895 1.00 32.68 C -ATOM 1519 NE2 HIS A 188 32.918 21.950 63.583 1.00 31.95 N -ATOM 1520 N MET A 189 31.322 23.047 67.809 1.00 32.67 N -ATOM 1521 CA MET A 189 32.170 24.173 68.198 1.00 27.82 C -ATOM 1522 C MET A 189 33.661 23.862 68.217 1.00 28.34 C -ATOM 1523 O MET A 189 34.064 22.744 68.524 1.00 26.56 O -ATOM 1524 CB MET A 189 31.735 24.691 69.575 1.00 31.45 C -ATOM 1525 CG MET A 189 32.270 26.078 69.930 1.00 40.52 C -ATOM 1526 SD MET A 189 31.619 26.778 71.488 1.00 42.33 S -ATOM 1527 CE MET A 189 29.924 26.480 71.320 1.00 39.54 C -ATOM 1528 N THR A 190 34.473 24.827 67.792 1.00 33.73 N -ATOM 1529 CA THR A 190 35.923 24.670 67.812 1.00 37.23 C -ATOM 1530 C THR A 190 36.573 25.719 68.740 1.00 36.55 C -ATOM 1531 O THR A 190 35.939 26.705 69.156 1.00 31.48 O -ATOM 1532 CB THR A 190 36.584 24.634 66.368 1.00 40.87 C -ATOM 1533 OG1 THR A 190 36.399 25.880 65.670 1.00 44.65 O -ATOM 1534 CG2 THR A 190 35.995 23.502 65.552 1.00 36.57 C -ATOM 1535 N HIS A 191 37.838 25.485 69.069 1.00 34.82 N -ATOM 1536 CA HIS A 191 38.584 26.339 69.973 1.00 32.17 C -ATOM 1537 C HIS A 191 39.979 26.575 69.410 1.00 34.82 C -ATOM 1538 O HIS A 191 40.796 25.661 69.346 1.00 41.03 O -ATOM 1539 CB HIS A 191 38.668 25.620 71.331 1.00 29.67 C -ATOM 1540 CG HIS A 191 39.388 26.383 72.396 1.00 24.92 C -ATOM 1541 ND1 HIS A 191 40.740 26.238 72.642 1.00 24.39 N -ATOM 1542 CD2 HIS A 191 38.938 27.275 73.304 1.00 21.71 C -ATOM 1543 CE1 HIS A 191 41.089 27.008 73.654 1.00 22.63 C -ATOM 1544 NE2 HIS A 191 40.013 27.649 74.074 1.00 33.51 N -ATOM 1545 N HIS A 192 40.231 27.787 68.945 1.00 41.15 N -ATOM 1546 CA HIS A 192 41.537 28.120 68.409 1.00 45.22 C -ATOM 1547 C HIS A 192 42.220 29.029 69.414 1.00 49.03 C -ATOM 1548 O HIS A 192 41.545 29.696 70.200 1.00 51.26 O -ATOM 1549 N ALA A 193 43.546 29.025 69.433 1.00 51.89 N -ATOM 1550 CA ALA A 193 44.306 29.866 70.354 1.00 55.24 C -ATOM 1551 C ALA A 193 45.764 29.867 69.937 1.00 57.13 C -ATOM 1552 O ALA A 193 46.360 28.811 69.727 1.00 57.16 O -ATOM 1553 CB ALA A 193 44.178 29.341 71.778 1.00 54.79 C -ATOM 1554 N VAL A 194 46.328 31.053 69.775 1.00 61.37 N -ATOM 1555 CA VAL A 194 47.728 31.176 69.379 1.00 65.95 C -ATOM 1556 C VAL A 194 48.501 31.950 70.448 1.00 66.72 C -ATOM 1557 O VAL A 194 49.686 32.251 70.287 1.00 63.69 O -ATOM 1558 CB VAL A 194 47.839 31.865 67.997 1.00 70.79 C -ATOM 1559 CG1 VAL A 194 49.293 31.970 67.554 1.00 73.89 C -ATOM 1560 CG2 VAL A 194 47.035 31.079 66.963 1.00 73.04 C -ATOM 1561 N SER A 195 47.828 32.208 71.568 1.00 72.16 N -ATOM 1562 CA SER A 195 48.414 32.937 72.692 1.00 76.41 C -ATOM 1563 C SER A 195 48.003 32.328 74.036 1.00 76.75 C -ATOM 1564 O SER A 195 47.003 31.607 74.126 1.00 75.80 O -ATOM 1565 CB SER A 195 48.008 34.416 72.646 1.00 79.09 C -ATOM 1566 OG SER A 195 48.466 35.119 73.796 1.00 81.00 O -ATOM 1567 N ASP A 196 48.759 32.658 75.081 1.00 75.45 N -ATOM 1568 CA ASP A 196 48.489 32.144 76.414 1.00 73.57 C -ATOM 1569 C ASP A 196 47.580 33.006 77.275 1.00 70.34 C -ATOM 1570 O ASP A 196 47.752 33.072 78.492 1.00 70.67 O -ATOM 1571 CB ASP A 196 49.794 31.850 77.148 1.00 75.18 C -ATOM 1572 CG ASP A 196 49.922 30.385 77.524 1.00 81.34 C -ATOM 1573 OD1 ASP A 196 49.707 29.518 76.646 1.00 84.19 O -ATOM 1574 OD2 ASP A 196 50.224 30.091 78.699 1.00 84.84 O -ATOM 1575 N HIS A 197 46.615 33.668 76.644 1.00 65.64 N -ATOM 1576 CA HIS A 197 45.663 34.497 77.373 1.00 63.57 C -ATOM 1577 C HIS A 197 44.363 34.687 76.609 1.00 58.45 C -ATOM 1578 O HIS A 197 43.343 35.014 77.204 1.00 58.25 O -ATOM 1579 CB HIS A 197 46.270 35.857 77.765 1.00 70.21 C -ATOM 1580 CG HIS A 197 46.411 36.827 76.631 1.00 77.99 C -ATOM 1581 ND1 HIS A 197 47.371 36.701 75.650 1.00 81.33 N -ATOM 1582 CD2 HIS A 197 45.733 37.968 76.344 1.00 81.07 C -ATOM 1583 CE1 HIS A 197 47.280 37.716 74.808 1.00 79.97 C -ATOM 1584 NE2 HIS A 197 46.293 38.499 75.208 1.00 81.39 N -ATOM 1585 N GLU A 198 44.409 34.452 75.297 1.00 54.78 N -ATOM 1586 CA GLU A 198 43.255 34.595 74.409 1.00 47.53 C -ATOM 1587 C GLU A 198 43.106 33.372 73.528 1.00 44.95 C -ATOM 1588 O GLU A 198 44.071 32.921 72.894 1.00 44.62 O -ATOM 1589 CB GLU A 198 43.408 35.816 73.494 1.00 47.17 C -ATOM 1590 CG GLU A 198 42.947 37.133 74.094 1.00 52.74 C -ATOM 1591 CD GLU A 198 43.024 38.295 73.115 1.00 54.99 C -ATOM 1592 OE1 GLU A 198 44.028 38.409 72.373 1.00 50.92 O -ATOM 1593 OE2 GLU A 198 42.067 39.100 73.105 1.00 57.87 O -ATOM 1594 N ALA A 199 41.880 32.870 73.463 1.00 41.22 N -ATOM 1595 CA ALA A 199 41.539 31.710 72.649 1.00 38.63 C -ATOM 1596 C ALA A 199 40.272 32.078 71.893 1.00 37.22 C -ATOM 1597 O ALA A 199 39.332 32.607 72.482 1.00 39.22 O -ATOM 1598 CB ALA A 199 41.289 30.493 73.531 1.00 37.27 C -ATOM 1599 N THR A 200 40.260 31.826 70.591 1.00 34.59 N -ATOM 1600 CA THR A 200 39.109 32.134 69.762 1.00 34.82 C -ATOM 1601 C THR A 200 38.145 30.959 69.749 1.00 32.29 C -ATOM 1602 O THR A 200 38.542 29.826 69.476 1.00 30.94 O -ATOM 1603 CB THR A 200 39.557 32.450 68.326 1.00 42.76 C -ATOM 1604 OG1 THR A 200 40.622 33.415 68.360 1.00 48.66 O -ATOM 1605 CG2 THR A 200 38.390 33.010 67.505 1.00 43.16 C -ATOM 1606 N LEU A 201 36.879 31.235 70.033 1.00 26.65 N -ATOM 1607 CA LEU A 201 35.850 30.206 70.076 1.00 30.30 C -ATOM 1608 C LEU A 201 34.922 30.358 68.858 1.00 34.31 C -ATOM 1609 O LEU A 201 34.178 31.349 68.775 1.00 35.59 O -ATOM 1610 CB LEU A 201 35.056 30.384 71.368 1.00 27.92 C -ATOM 1611 CG LEU A 201 34.693 29.196 72.253 1.00 22.60 C -ATOM 1612 CD1 LEU A 201 35.919 28.443 72.703 1.00 17.54 C -ATOM 1613 CD2 LEU A 201 33.971 29.767 73.446 1.00 20.61 C -ATOM 1614 N ARG A 202 34.948 29.382 67.937 1.00 31.37 N -ATOM 1615 CA ARG A 202 34.134 29.419 66.705 1.00 25.69 C -ATOM 1616 C ARG A 202 32.967 28.445 66.714 1.00 22.71 C -ATOM 1617 O ARG A 202 33.151 27.257 66.913 1.00 28.11 O -ATOM 1618 CB ARG A 202 35.017 29.145 65.485 1.00 28.04 C -ATOM 1619 CG ARG A 202 34.299 29.201 64.128 1.00 33.03 C -ATOM 1620 CD ARG A 202 35.294 29.338 62.960 1.00 33.00 C -ATOM 1621 NE ARG A 202 36.001 30.625 63.004 1.00 37.79 N -ATOM 1622 CZ ARG A 202 37.326 30.767 63.029 1.00 38.77 C -ATOM 1623 NH1 ARG A 202 38.119 29.702 63.008 1.00 40.22 N -ATOM 1624 NH2 ARG A 202 37.866 31.979 63.100 1.00 36.20 N -ATOM 1625 N CYS A 203 31.768 28.951 66.466 1.00 19.09 N -ATOM 1626 CA CYS A 203 30.557 28.142 66.462 1.00 21.27 C -ATOM 1627 C CYS A 203 30.074 27.955 65.035 1.00 26.51 C -ATOM 1628 O CYS A 203 29.844 28.934 64.333 1.00 31.47 O -ATOM 1629 CB CYS A 203 29.490 28.838 67.280 1.00 20.91 C -ATOM 1630 SG CYS A 203 27.855 28.076 67.163 1.00 36.86 S -ATOM 1631 N TRP A 204 29.871 26.702 64.630 1.00 30.54 N -ATOM 1632 CA TRP A 204 29.473 26.369 63.260 1.00 27.85 C -ATOM 1633 C TRP A 204 28.055 25.927 62.977 1.00 27.06 C -ATOM 1634 O TRP A 204 27.399 25.310 63.800 1.00 29.48 O -ATOM 1635 CB TRP A 204 30.365 25.260 62.723 1.00 25.87 C -ATOM 1636 CG TRP A 204 31.782 25.603 62.611 1.00 28.19 C -ATOM 1637 CD1 TRP A 204 32.671 25.732 63.624 1.00 32.60 C -ATOM 1638 CD2 TRP A 204 32.513 25.798 61.403 1.00 34.29 C -ATOM 1639 NE1 TRP A 204 33.923 25.993 63.128 1.00 38.36 N -ATOM 1640 CE2 TRP A 204 33.856 26.036 61.763 1.00 39.39 C -ATOM 1641 CE3 TRP A 204 32.165 25.789 60.045 1.00 35.29 C -ATOM 1642 CZ2 TRP A 204 34.856 26.262 60.818 1.00 45.03 C -ATOM 1643 CZ3 TRP A 204 33.150 26.012 59.109 1.00 38.75 C -ATOM 1644 CH2 TRP A 204 34.485 26.246 59.496 1.00 44.04 C -ATOM 1645 N ALA A 205 27.667 26.115 61.725 1.00 27.66 N -ATOM 1646 CA ALA A 205 26.370 25.705 61.222 1.00 27.66 C -ATOM 1647 C ALA A 205 26.652 25.241 59.777 1.00 32.71 C -ATOM 1648 O ALA A 205 27.097 26.029 58.927 1.00 33.59 O -ATOM 1649 CB ALA A 205 25.404 26.866 61.255 1.00 22.35 C -ATOM 1650 N LEU A 206 26.493 23.944 59.528 1.00 31.28 N -ATOM 1651 CA LEU A 206 26.752 23.388 58.204 1.00 30.09 C -ATOM 1652 C LEU A 206 25.585 22.546 57.682 1.00 29.36 C -ATOM 1653 O LEU A 206 24.664 22.230 58.431 1.00 28.76 O -ATOM 1654 CB LEU A 206 28.006 22.523 58.243 1.00 29.24 C -ATOM 1655 CG LEU A 206 29.235 23.120 58.920 1.00 33.69 C -ATOM 1656 CD1 LEU A 206 30.357 22.084 59.025 1.00 37.70 C -ATOM 1657 CD2 LEU A 206 29.688 24.338 58.160 1.00 33.25 C -ATOM 1658 N SER A 207 25.623 22.235 56.386 1.00 30.11 N -ATOM 1659 CA SER A 207 24.620 21.420 55.702 1.00 29.47 C -ATOM 1660 C SER A 207 23.159 21.796 55.950 1.00 24.30 C -ATOM 1661 O SER A 207 22.298 20.917 56.046 1.00 23.58 O -ATOM 1662 CB SER A 207 24.846 19.948 56.044 1.00 35.35 C -ATOM 1663 OG SER A 207 26.234 19.643 55.992 1.00 49.11 O -ATOM 1664 N PHE A 208 22.881 23.095 56.019 1.00 20.35 N -ATOM 1665 CA PHE A 208 21.523 23.560 56.252 1.00 18.50 C -ATOM 1666 C PHE A 208 20.896 24.155 55.014 1.00 24.74 C -ATOM 1667 O PHE A 208 21.593 24.668 54.132 1.00 23.98 O -ATOM 1668 CB PHE A 208 21.462 24.563 57.400 1.00 19.69 C -ATOM 1669 CG PHE A 208 22.264 25.810 57.173 1.00 23.09 C -ATOM 1670 CD1 PHE A 208 21.709 26.897 56.502 1.00 26.01 C -ATOM 1671 CD2 PHE A 208 23.561 25.911 57.656 1.00 24.50 C -ATOM 1672 CE1 PHE A 208 22.432 28.065 56.317 1.00 18.89 C -ATOM 1673 CE2 PHE A 208 24.297 27.075 57.478 1.00 26.12 C -ATOM 1674 CZ PHE A 208 23.729 28.154 56.807 1.00 28.34 C -ATOM 1675 N TYR A 209 19.575 24.029 54.950 1.00 28.51 N -ATOM 1676 CA TYR A 209 18.764 24.521 53.850 1.00 28.82 C -ATOM 1677 C TYR A 209 17.360 24.704 54.399 1.00 32.95 C -ATOM 1678 O TYR A 209 16.875 23.869 55.159 1.00 35.34 O -ATOM 1679 CB TYR A 209 18.711 23.515 52.689 1.00 31.67 C -ATOM 1680 CG TYR A 209 17.949 24.057 51.486 1.00 28.02 C -ATOM 1681 CD1 TYR A 209 18.599 24.824 50.509 1.00 25.75 C -ATOM 1682 CD2 TYR A 209 16.563 23.906 51.388 1.00 25.93 C -ATOM 1683 CE1 TYR A 209 17.882 25.435 49.476 1.00 31.58 C -ATOM 1684 CE2 TYR A 209 15.842 24.515 50.363 1.00 34.32 C -ATOM 1685 CZ TYR A 209 16.503 25.288 49.411 1.00 30.45 C -ATOM 1686 OH TYR A 209 15.765 25.959 48.448 1.00 24.10 O -ATOM 1687 N PRO A 210 16.698 25.817 54.057 1.00 32.61 N -ATOM 1688 CA PRO A 210 17.175 26.930 53.234 1.00 30.71 C -ATOM 1689 C PRO A 210 18.345 27.684 53.833 1.00 28.08 C -ATOM 1690 O PRO A 210 18.936 27.235 54.814 1.00 26.61 O -ATOM 1691 CB PRO A 210 15.928 27.800 53.085 1.00 35.65 C -ATOM 1692 CG PRO A 210 15.094 27.435 54.271 1.00 40.55 C -ATOM 1693 CD PRO A 210 15.260 25.950 54.310 1.00 34.29 C -ATOM 1694 N ALA A 211 18.675 28.827 53.242 1.00 26.72 N -ATOM 1695 CA ALA A 211 19.812 29.626 53.694 1.00 28.46 C -ATOM 1696 C ALA A 211 19.584 30.572 54.892 1.00 26.76 C -ATOM 1697 O ALA A 211 20.543 31.135 55.435 1.00 28.02 O -ATOM 1698 CB ALA A 211 20.424 30.384 52.495 1.00 17.37 C -ATOM 1699 N GLU A 212 18.333 30.745 55.308 1.00 29.90 N -ATOM 1700 CA GLU A 212 18.017 31.618 56.444 1.00 33.23 C -ATOM 1701 C GLU A 212 18.477 31.028 57.789 1.00 33.04 C -ATOM 1702 O GLU A 212 18.024 29.944 58.209 1.00 26.60 O -ATOM 1703 CB GLU A 212 16.515 31.907 56.503 1.00 37.90 C -ATOM 1704 CG GLU A 212 16.162 33.388 56.453 1.00 45.08 C -ATOM 1705 CD GLU A 212 16.901 34.209 57.491 1.00 48.80 C -ATOM 1706 OE1 GLU A 212 16.481 34.187 58.669 1.00 56.53 O -ATOM 1707 OE2 GLU A 212 17.900 34.875 57.132 1.00 49.76 O -ATOM 1708 N ILE A 213 19.339 31.769 58.480 1.00 29.71 N -ATOM 1709 CA ILE A 213 19.869 31.315 59.755 1.00 35.67 C -ATOM 1710 C ILE A 213 20.331 32.498 60.612 1.00 38.58 C -ATOM 1711 O ILE A 213 20.741 33.539 60.093 1.00 39.60 O -ATOM 1712 CB ILE A 213 21.059 30.314 59.526 1.00 32.44 C -ATOM 1713 CG1 ILE A 213 21.135 29.290 60.665 1.00 34.63 C -ATOM 1714 CG2 ILE A 213 22.391 31.059 59.387 1.00 22.34 C -ATOM 1715 CD1 ILE A 213 22.245 28.227 60.496 1.00 28.94 C -ATOM 1716 N THR A 214 20.226 32.342 61.927 1.00 42.61 N -ATOM 1717 CA THR A 214 20.668 33.367 62.868 1.00 41.82 C -ATOM 1718 C THR A 214 21.644 32.691 63.840 1.00 38.70 C -ATOM 1719 O THR A 214 21.308 31.713 64.510 1.00 35.25 O -ATOM 1720 CB THR A 214 19.477 33.988 63.616 1.00 45.99 C -ATOM 1721 OG1 THR A 214 18.532 34.507 62.664 1.00 41.67 O -ATOM 1722 CG2 THR A 214 19.954 35.109 64.543 1.00 48.26 C -ATOM 1723 N LEU A 215 22.882 33.163 63.810 1.00 36.85 N -ATOM 1724 CA LEU A 215 23.956 32.635 64.630 1.00 34.17 C -ATOM 1725 C LEU A 215 24.408 33.752 65.559 1.00 38.72 C -ATOM 1726 O LEU A 215 24.878 34.788 65.084 1.00 44.04 O -ATOM 1727 CB LEU A 215 25.114 32.233 63.721 1.00 25.14 C -ATOM 1728 CG LEU A 215 25.830 30.942 64.067 1.00 21.31 C -ATOM 1729 CD1 LEU A 215 24.892 29.786 63.802 1.00 17.86 C -ATOM 1730 CD2 LEU A 215 27.106 30.824 63.253 1.00 21.97 C -ATOM 1731 N THR A 216 24.337 33.523 66.870 1.00 45.70 N -ATOM 1732 CA THR A 216 24.714 34.557 67.842 1.00 50.41 C -ATOM 1733 C THR A 216 25.480 34.115 69.109 1.00 49.61 C -ATOM 1734 O THR A 216 25.122 33.124 69.756 1.00 49.93 O -ATOM 1735 CB THR A 216 23.460 35.331 68.292 1.00 51.53 C -ATOM 1736 OG1 THR A 216 22.318 34.862 67.557 1.00 63.52 O -ATOM 1737 CG2 THR A 216 23.638 36.811 68.044 1.00 56.31 C -ATOM 1738 N TRP A 217 26.522 34.874 69.455 1.00 45.68 N -ATOM 1739 CA TRP A 217 27.346 34.627 70.638 1.00 41.10 C -ATOM 1740 C TRP A 217 26.886 35.538 71.772 1.00 44.58 C -ATOM 1741 O TRP A 217 26.587 36.721 71.559 1.00 43.98 O -ATOM 1742 CB TRP A 217 28.820 34.943 70.368 1.00 39.89 C -ATOM 1743 CG TRP A 217 29.633 33.824 69.800 1.00 44.12 C -ATOM 1744 CD1 TRP A 217 30.285 33.820 68.599 1.00 50.60 C -ATOM 1745 CD2 TRP A 217 29.939 32.569 70.422 1.00 43.10 C -ATOM 1746 NE1 TRP A 217 30.974 32.645 68.440 1.00 50.96 N -ATOM 1747 CE2 TRP A 217 30.780 31.859 69.541 1.00 41.89 C -ATOM 1748 CE3 TRP A 217 29.586 31.977 71.639 1.00 47.99 C -ATOM 1749 CZ2 TRP A 217 31.272 30.589 69.837 1.00 41.64 C -ATOM 1750 CZ3 TRP A 217 30.077 30.709 71.933 1.00 47.78 C -ATOM 1751 CH2 TRP A 217 30.911 30.031 71.033 1.00 44.94 C -ATOM 1752 N GLN A 218 26.875 34.993 72.982 1.00 45.81 N -ATOM 1753 CA GLN A 218 26.484 35.729 74.168 1.00 45.74 C -ATOM 1754 C GLN A 218 27.472 35.410 75.275 1.00 51.92 C -ATOM 1755 O GLN A 218 28.047 34.313 75.307 1.00 52.59 O -ATOM 1756 CB GLN A 218 25.104 35.287 74.639 1.00 44.46 C -ATOM 1757 CG GLN A 218 23.949 35.673 73.744 1.00 50.51 C -ATOM 1758 CD GLN A 218 22.611 35.268 74.341 1.00 54.19 C -ATOM 1759 OE1 GLN A 218 22.559 34.637 75.398 1.00 53.79 O -ATOM 1760 NE2 GLN A 218 21.521 35.608 73.656 1.00 58.02 N -ATOM 1761 N ARG A 219 27.663 36.367 76.184 1.00 54.66 N -ATOM 1762 CA ARG A 219 28.548 36.190 77.339 1.00 50.12 C -ATOM 1763 C ARG A 219 27.706 36.449 78.570 1.00 46.37 C -ATOM 1764 O ARG A 219 27.089 37.506 78.692 1.00 45.61 O -ATOM 1765 CB ARG A 219 29.725 37.162 77.317 1.00 47.83 C -ATOM 1766 CG ARG A 219 30.732 36.898 78.419 1.00 47.86 C -ATOM 1767 CD ARG A 219 31.870 37.886 78.367 1.00 51.18 C -ATOM 1768 NE ARG A 219 31.398 39.263 78.529 1.00 57.76 N -ATOM 1769 CZ ARG A 219 32.129 40.347 78.271 1.00 56.33 C -ATOM 1770 NH1 ARG A 219 33.380 40.226 77.830 1.00 55.62 N -ATOM 1771 NH2 ARG A 219 31.612 41.554 78.467 1.00 46.81 N -ATOM 1772 N ASP A 220 27.613 35.441 79.430 1.00 49.55 N -ATOM 1773 CA ASP A 220 26.830 35.502 80.666 1.00 50.94 C -ATOM 1774 C ASP A 220 25.353 35.788 80.379 1.00 51.97 C -ATOM 1775 O ASP A 220 24.562 35.926 81.305 1.00 55.66 O -ATOM 1776 CB ASP A 220 27.391 36.555 81.649 1.00 49.22 C -ATOM 1777 CG ASP A 220 28.829 36.265 82.095 1.00 46.56 C -ATOM 1778 OD1 ASP A 220 29.161 35.105 82.438 1.00 43.84 O -ATOM 1779 OD2 ASP A 220 29.630 37.223 82.125 1.00 43.96 O -ATOM 1780 N GLY A 221 24.971 35.797 79.104 1.00 50.90 N -ATOM 1781 CA GLY A 221 23.591 36.076 78.749 1.00 55.51 C -ATOM 1782 C GLY A 221 23.417 37.436 78.093 1.00 59.14 C -ATOM 1783 O GLY A 221 22.285 37.880 77.869 1.00 62.31 O -ATOM 1784 N GLU A 222 24.535 38.098 77.792 1.00 56.51 N -ATOM 1785 CA GLU A 222 24.525 39.412 77.147 1.00 58.55 C -ATOM 1786 C GLU A 222 24.926 39.289 75.667 1.00 59.91 C -ATOM 1787 O GLU A 222 25.963 38.681 75.354 1.00 61.12 O -ATOM 1788 CB GLU A 222 25.466 40.362 77.875 1.00 56.05 C -ATOM 1789 N ASP A 223 24.101 39.842 74.765 1.00 57.05 N -ATOM 1790 CA ASP A 223 24.383 39.784 73.337 1.00 48.80 C -ATOM 1791 C ASP A 223 25.820 40.177 73.104 1.00 48.22 C -ATOM 1792 O ASP A 223 26.288 41.159 73.677 1.00 47.13 O -ATOM 1793 N GLN A 224 26.541 39.414 72.294 1.00 46.99 N -ATOM 1794 CA GLN A 224 27.950 39.731 72.059 1.00 50.94 C -ATOM 1795 C GLN A 224 28.211 40.345 70.690 1.00 51.23 C -ATOM 1796 O GLN A 224 29.353 40.466 70.246 1.00 44.73 O -ATOM 1797 CB GLN A 224 28.795 38.472 72.280 1.00 54.44 C -ATOM 1798 CG GLN A 224 30.156 38.713 72.925 1.00 47.32 C -ATOM 1799 CD GLN A 224 30.069 39.517 74.205 1.00 47.52 C -ATOM 1800 OE1 GLN A 224 31.025 40.185 74.592 1.00 48.72 O -ATOM 1801 NE2 GLN A 224 28.917 39.469 74.863 1.00 50.27 N -ATOM 1802 N THR A 225 27.143 40.832 70.082 1.00 58.31 N -ATOM 1803 CA THR A 225 27.159 41.454 68.769 1.00 67.87 C -ATOM 1804 C THR A 225 28.451 42.132 68.276 1.00 69.93 C -ATOM 1805 O THR A 225 29.103 41.643 67.338 1.00 72.69 O -ATOM 1806 CB THR A 225 25.969 42.457 68.625 1.00 72.47 C -ATOM 1807 OG1 THR A 225 25.833 43.226 69.829 1.00 78.97 O -ATOM 1808 CG2 THR A 225 24.670 41.720 68.368 1.00 77.65 C -ATOM 1809 N GLN A 226 28.859 43.218 68.922 1.00 67.56 N -ATOM 1810 CA GLN A 226 30.025 43.963 68.482 1.00 68.92 C -ATOM 1811 C GLN A 226 31.385 43.292 68.623 1.00 71.66 C -ATOM 1812 O GLN A 226 32.368 43.762 68.044 1.00 72.88 O -ATOM 1813 CB GLN A 226 30.038 45.336 69.131 1.00 70.75 C -ATOM 1814 N ASP A 227 31.453 42.190 69.362 1.00 74.89 N -ATOM 1815 CA ASP A 227 32.726 41.499 69.575 1.00 77.20 C -ATOM 1816 C ASP A 227 32.809 40.150 68.832 1.00 75.83 C -ATOM 1817 O ASP A 227 33.754 39.373 69.038 1.00 72.62 O -ATOM 1818 CB ASP A 227 32.953 41.294 71.084 1.00 84.28 C -ATOM 1819 CG ASP A 227 32.798 42.593 71.897 1.00 88.16 C -ATOM 1820 OD1 ASP A 227 31.644 43.044 72.109 1.00 88.47 O -ATOM 1821 OD2 ASP A 227 33.830 43.152 72.332 1.00 88.09 O -ATOM 1822 N THR A 228 31.871 39.935 67.907 1.00 73.32 N -ATOM 1823 CA THR A 228 31.762 38.697 67.135 1.00 67.42 C -ATOM 1824 C THR A 228 32.030 38.808 65.628 1.00 66.10 C -ATOM 1825 O THR A 228 31.436 39.654 64.952 1.00 68.99 O -ATOM 1826 CB THR A 228 30.342 38.117 67.297 1.00 64.15 C -ATOM 1827 OG1 THR A 228 30.019 38.023 68.690 1.00 62.68 O -ATOM 1828 CG2 THR A 228 30.240 36.737 66.660 1.00 62.99 C -ATOM 1829 N GLU A 229 32.893 37.932 65.101 1.00 61.60 N -ATOM 1830 CA GLU A 229 33.201 37.890 63.660 1.00 54.88 C -ATOM 1831 C GLU A 229 32.177 36.969 63.003 1.00 47.73 C -ATOM 1832 O GLU A 229 32.223 35.757 63.187 1.00 43.56 O -ATOM 1833 CB GLU A 229 34.617 37.342 63.404 1.00 56.57 C -ATOM 1834 CG GLU A 229 35.009 37.251 61.917 1.00 59.20 C -ATOM 1835 CD GLU A 229 36.411 36.678 61.679 1.00 63.55 C -ATOM 1836 OE1 GLU A 229 36.874 35.837 62.488 1.00 62.59 O -ATOM 1837 OE2 GLU A 229 37.046 37.056 60.665 1.00 60.50 O -ATOM 1838 N LEU A 230 31.244 37.543 62.256 1.00 44.18 N -ATOM 1839 CA LEU A 230 30.214 36.748 61.599 1.00 40.28 C -ATOM 1840 C LEU A 230 30.436 36.714 60.090 1.00 40.73 C -ATOM 1841 O LEU A 230 30.497 37.762 59.454 1.00 43.02 O -ATOM 1842 CB LEU A 230 28.847 37.337 61.909 1.00 35.30 C -ATOM 1843 CG LEU A 230 27.628 36.484 61.586 1.00 40.14 C -ATOM 1844 CD1 LEU A 230 27.663 35.202 62.405 1.00 46.14 C -ATOM 1845 CD2 LEU A 230 26.374 37.272 61.900 1.00 38.59 C -ATOM 1846 N VAL A 231 30.637 35.523 59.525 1.00 39.07 N -ATOM 1847 CA VAL A 231 30.837 35.411 58.083 1.00 32.86 C -ATOM 1848 C VAL A 231 29.496 35.264 57.365 1.00 38.51 C -ATOM 1849 O VAL A 231 28.574 34.604 57.853 1.00 38.32 O -ATOM 1850 CB VAL A 231 31.774 34.245 57.678 1.00 26.90 C -ATOM 1851 CG1 VAL A 231 33.148 34.451 58.257 1.00 24.64 C -ATOM 1852 CG2 VAL A 231 31.193 32.904 58.071 1.00 23.94 C -ATOM 1853 N GLU A 232 29.402 35.879 56.196 1.00 38.40 N -ATOM 1854 CA GLU A 232 28.190 35.852 55.399 1.00 37.69 C -ATOM 1855 C GLU A 232 27.846 34.391 55.071 1.00 34.43 C -ATOM 1856 O GLU A 232 28.755 33.593 54.827 1.00 30.46 O -ATOM 1857 CB GLU A 232 28.462 36.651 54.126 1.00 48.12 C -ATOM 1858 CG GLU A 232 27.243 37.224 53.407 1.00 63.18 C -ATOM 1859 CD GLU A 232 27.613 37.877 52.071 1.00 71.42 C -ATOM 1860 OE1 GLU A 232 28.799 38.256 51.898 1.00 66.37 O -ATOM 1861 OE2 GLU A 232 26.720 37.997 51.193 1.00 75.91 O -ATOM 1862 N THR A 233 26.556 34.037 55.094 1.00 32.01 N -ATOM 1863 CA THR A 233 26.138 32.672 54.785 1.00 25.73 C -ATOM 1864 C THR A 233 26.817 32.321 53.467 1.00 29.41 C -ATOM 1865 O THR A 233 26.841 33.136 52.554 1.00 36.36 O -ATOM 1866 CB THR A 233 24.601 32.562 54.637 1.00 24.87 C -ATOM 1867 OG1 THR A 233 23.952 32.914 55.869 1.00 23.23 O -ATOM 1868 CG2 THR A 233 24.198 31.152 54.257 1.00 25.81 C -ATOM 1869 N ARG A 234 27.413 31.137 53.381 1.00 32.33 N -ATOM 1870 CA ARG A 234 28.112 30.716 52.174 1.00 27.53 C -ATOM 1871 C ARG A 234 27.610 29.364 51.683 1.00 34.15 C -ATOM 1872 O ARG A 234 27.221 28.510 52.473 1.00 37.21 O -ATOM 1873 CB ARG A 234 29.603 30.636 52.453 1.00 21.06 C -ATOM 1874 CG ARG A 234 29.987 29.479 53.337 1.00 25.00 C -ATOM 1875 CD ARG A 234 30.971 29.887 54.419 1.00 23.15 C -ATOM 1876 NE ARG A 234 31.705 28.721 54.889 1.00 23.11 N -ATOM 1877 CZ ARG A 234 33.012 28.714 55.127 1.00 32.29 C -ATOM 1878 NH1 ARG A 234 33.720 29.824 54.962 1.00 32.84 N -ATOM 1879 NH2 ARG A 234 33.633 27.575 55.423 1.00 29.45 N -ATOM 1880 N PRO A 235 27.538 29.176 50.363 1.00 38.13 N -ATOM 1881 CA PRO A 235 27.069 27.919 49.775 1.00 38.59 C -ATOM 1882 C PRO A 235 28.110 26.799 49.861 1.00 36.09 C -ATOM 1883 O PRO A 235 29.303 27.031 49.632 1.00 30.98 O -ATOM 1884 CB PRO A 235 26.782 28.314 48.326 1.00 45.40 C -ATOM 1885 CG PRO A 235 27.800 29.414 48.072 1.00 44.22 C -ATOM 1886 CD PRO A 235 27.698 30.220 49.329 1.00 39.36 C -ATOM 1887 N ALA A 236 27.651 25.587 50.164 1.00 32.51 N -ATOM 1888 CA ALA A 236 28.538 24.427 50.279 1.00 34.24 C -ATOM 1889 C ALA A 236 28.908 23.895 48.913 1.00 37.98 C -ATOM 1890 O ALA A 236 29.996 23.343 48.721 1.00 36.33 O -ATOM 1891 CB ALA A 236 27.876 23.336 51.080 1.00 38.60 C -ATOM 1892 N GLY A 237 27.977 24.062 47.974 1.00 41.32 N -ATOM 1893 CA GLY A 237 28.173 23.611 46.609 1.00 37.54 C -ATOM 1894 C GLY A 237 27.305 22.419 46.257 1.00 41.30 C -ATOM 1895 O GLY A 237 27.184 22.043 45.092 1.00 42.62 O -ATOM 1896 N ASP A 238 26.647 21.847 47.254 1.00 42.39 N -ATOM 1897 CA ASP A 238 25.812 20.684 47.018 1.00 37.51 C -ATOM 1898 C ASP A 238 24.343 20.933 47.302 1.00 37.20 C -ATOM 1899 O ASP A 238 23.543 19.992 47.399 1.00 34.50 O -ATOM 1900 CB ASP A 238 26.341 19.482 47.807 1.00 43.82 C -ATOM 1901 CG ASP A 238 26.577 19.786 49.296 1.00 50.48 C -ATOM 1902 OD1 ASP A 238 26.337 20.928 49.759 1.00 47.20 O -ATOM 1903 OD2 ASP A 238 27.015 18.855 50.007 1.00 51.07 O -ATOM 1904 N GLY A 239 23.989 22.208 47.427 1.00 32.98 N -ATOM 1905 CA GLY A 239 22.604 22.556 47.675 1.00 34.29 C -ATOM 1906 C GLY A 239 22.287 22.959 49.094 1.00 36.54 C -ATOM 1907 O GLY A 239 21.112 23.138 49.427 1.00 38.35 O -ATOM 1908 N THR A 240 23.330 23.099 49.917 1.00 36.34 N -ATOM 1909 CA THR A 240 23.198 23.487 51.317 1.00 32.13 C -ATOM 1910 C THR A 240 24.140 24.635 51.598 1.00 34.67 C -ATOM 1911 O THR A 240 25.044 24.925 50.789 1.00 27.35 O -ATOM 1912 CB THR A 240 23.562 22.347 52.258 1.00 33.30 C -ATOM 1913 OG1 THR A 240 24.825 21.794 51.867 1.00 36.57 O -ATOM 1914 CG2 THR A 240 22.493 21.269 52.233 1.00 38.21 C -ATOM 1915 N PHE A 241 23.971 25.244 52.774 1.00 36.23 N -ATOM 1916 CA PHE A 241 24.783 26.395 53.173 1.00 35.79 C -ATOM 1917 C PHE A 241 25.648 26.175 54.406 1.00 27.88 C -ATOM 1918 O PHE A 241 25.519 25.164 55.090 1.00 28.47 O -ATOM 1919 CB PHE A 241 23.882 27.621 53.349 1.00 36.77 C -ATOM 1920 CG PHE A 241 22.976 27.866 52.172 1.00 43.09 C -ATOM 1921 CD1 PHE A 241 21.894 27.021 51.917 1.00 45.43 C -ATOM 1922 CD2 PHE A 241 23.229 28.905 51.292 1.00 50.87 C -ATOM 1923 CE1 PHE A 241 21.081 27.198 50.797 1.00 46.99 C -ATOM 1924 CE2 PHE A 241 22.422 29.096 50.165 1.00 53.76 C -ATOM 1925 CZ PHE A 241 21.344 28.236 49.920 1.00 51.55 C -ATOM 1926 N GLN A 242 26.546 27.122 54.655 1.00 24.57 N -ATOM 1927 CA GLN A 242 27.469 27.087 55.784 1.00 26.03 C -ATOM 1928 C GLN A 242 27.495 28.450 56.428 1.00 27.90 C -ATOM 1929 O GLN A 242 27.019 29.415 55.841 1.00 34.44 O -ATOM 1930 CB GLN A 242 28.885 26.777 55.311 1.00 17.14 C -ATOM 1931 CG GLN A 242 29.019 25.432 54.679 1.00 15.88 C -ATOM 1932 CD GLN A 242 30.442 25.095 54.351 1.00 15.85 C -ATOM 1933 OE1 GLN A 242 31.357 25.900 54.557 1.00 17.27 O -ATOM 1934 NE2 GLN A 242 30.646 23.898 53.832 1.00 20.09 N -ATOM 1935 N LYS A 243 28.061 28.533 57.628 1.00 34.64 N -ATOM 1936 CA LYS A 243 28.174 29.804 58.347 1.00 31.33 C -ATOM 1937 C LYS A 243 28.869 29.620 59.694 1.00 29.06 C -ATOM 1938 O LYS A 243 28.865 28.526 60.265 1.00 25.74 O -ATOM 1939 CB LYS A 243 26.789 30.396 58.579 1.00 26.71 C -ATOM 1940 CG LYS A 243 26.776 31.898 58.784 1.00 23.11 C -ATOM 1941 CD LYS A 243 25.407 32.319 59.348 1.00 22.74 C -ATOM 1942 CE LYS A 243 25.001 33.682 58.855 1.00 28.49 C -ATOM 1943 NZ LYS A 243 26.189 34.558 58.729 1.00 27.85 N -ATOM 1944 N TRP A 244 29.491 30.685 60.181 1.00 30.60 N -ATOM 1945 CA TRP A 244 30.149 30.630 61.471 1.00 32.52 C -ATOM 1946 C TRP A 244 30.381 31.980 62.128 1.00 35.65 C -ATOM 1947 O TRP A 244 30.515 32.995 61.436 1.00 38.47 O -ATOM 1948 CB TRP A 244 31.442 29.810 61.419 1.00 25.59 C -ATOM 1949 CG TRP A 244 32.557 30.313 60.551 1.00 24.00 C -ATOM 1950 CD1 TRP A 244 33.041 29.703 59.435 1.00 17.55 C -ATOM 1951 CD2 TRP A 244 33.457 31.402 60.829 1.00 22.42 C -ATOM 1952 NE1 TRP A 244 34.194 30.316 59.020 1.00 18.94 N -ATOM 1953 CE2 TRP A 244 34.474 31.363 59.857 1.00 22.17 C -ATOM 1954 CE3 TRP A 244 33.509 32.399 61.816 1.00 20.98 C -ATOM 1955 CZ2 TRP A 244 35.535 32.275 59.839 1.00 19.61 C -ATOM 1956 CZ3 TRP A 244 34.565 33.306 61.799 1.00 8.16 C -ATOM 1957 CH2 TRP A 244 35.560 33.234 60.820 1.00 18.43 C -ATOM 1958 N ALA A 245 30.325 31.980 63.465 1.00 35.38 N -ATOM 1959 CA ALA A 245 30.540 33.158 64.314 1.00 29.82 C -ATOM 1960 C ALA A 245 31.716 32.836 65.215 1.00 24.83 C -ATOM 1961 O ALA A 245 31.832 31.721 65.686 1.00 26.62 O -ATOM 1962 CB ALA A 245 29.305 33.430 65.155 1.00 29.54 C -ATOM 1963 N ALA A 246 32.594 33.795 65.452 1.00 23.71 N -ATOM 1964 CA ALA A 246 33.753 33.544 66.287 1.00 25.92 C -ATOM 1965 C ALA A 246 34.049 34.704 67.212 1.00 33.62 C -ATOM 1966 O ALA A 246 34.006 35.862 66.794 1.00 37.82 O -ATOM 1967 CB ALA A 246 34.963 33.249 65.437 1.00 14.57 C -ATOM 1968 N VAL A 247 34.351 34.381 68.469 1.00 36.96 N -ATOM 1969 CA VAL A 247 34.681 35.382 69.483 1.00 32.62 C -ATOM 1970 C VAL A 247 36.027 35.087 70.103 1.00 34.71 C -ATOM 1971 O VAL A 247 36.463 33.930 70.143 1.00 29.94 O -ATOM 1972 CB VAL A 247 33.670 35.410 70.638 1.00 26.87 C -ATOM 1973 CG1 VAL A 247 32.415 36.140 70.228 1.00 28.97 C -ATOM 1974 CG2 VAL A 247 33.344 34.005 71.071 1.00 29.54 C -ATOM 1975 N VAL A 248 36.708 36.150 70.522 1.00 40.31 N -ATOM 1976 CA VAL A 248 37.989 36.018 71.203 1.00 46.88 C -ATOM 1977 C VAL A 248 37.641 36.002 72.697 1.00 49.75 C -ATOM 1978 O VAL A 248 36.917 36.877 73.199 1.00 52.07 O -ATOM 1979 CB VAL A 248 38.951 37.177 70.895 1.00 46.65 C -ATOM 1980 CG1 VAL A 248 40.306 36.899 71.518 1.00 45.40 C -ATOM 1981 CG2 VAL A 248 39.099 37.348 69.402 1.00 48.83 C -ATOM 1982 N VAL A 249 38.093 34.956 73.377 1.00 47.83 N -ATOM 1983 CA VAL A 249 37.815 34.768 74.785 1.00 49.74 C -ATOM 1984 C VAL A 249 39.100 34.757 75.598 1.00 51.39 C -ATOM 1985 O VAL A 249 40.113 34.209 75.146 1.00 51.26 O -ATOM 1986 CB VAL A 249 37.103 33.391 75.007 1.00 50.06 C -ATOM 1987 CG1 VAL A 249 36.745 33.183 76.464 1.00 47.54 C -ATOM 1988 CG2 VAL A 249 35.876 33.281 74.136 1.00 48.70 C -ATOM 1989 N PRO A 250 39.128 35.488 76.729 1.00 55.58 N -ATOM 1990 CA PRO A 250 40.316 35.520 77.594 1.00 51.52 C -ATOM 1991 C PRO A 250 40.288 34.179 78.331 1.00 49.29 C -ATOM 1992 O PRO A 250 39.214 33.727 78.744 1.00 48.81 O -ATOM 1993 CB PRO A 250 40.023 36.670 78.552 1.00 47.13 C -ATOM 1994 CG PRO A 250 39.176 37.593 77.721 1.00 52.59 C -ATOM 1995 CD PRO A 250 38.227 36.616 77.056 1.00 56.99 C -ATOM 1996 N SER A 251 41.434 33.524 78.457 1.00 52.01 N -ATOM 1997 CA SER A 251 41.490 32.220 79.119 1.00 56.45 C -ATOM 1998 C SER A 251 40.669 32.141 80.409 1.00 54.19 C -ATOM 1999 O SER A 251 40.573 33.110 81.164 1.00 58.35 O -ATOM 2000 CB SER A 251 42.946 31.802 79.367 1.00 61.99 C -ATOM 2001 OG SER A 251 43.798 32.929 79.477 1.00 72.21 O -ATOM 2002 N GLY A 252 40.013 31.005 80.613 1.00 50.71 N -ATOM 2003 CA GLY A 252 39.204 30.824 81.804 1.00 39.88 C -ATOM 2004 C GLY A 252 37.751 31.168 81.572 1.00 36.18 C -ATOM 2005 O GLY A 252 36.849 30.554 82.147 1.00 35.12 O -ATOM 2006 N GLN A 253 37.508 32.092 80.655 1.00 37.57 N -ATOM 2007 CA GLN A 253 36.149 32.527 80.370 1.00 38.77 C -ATOM 2008 C GLN A 253 35.300 31.636 79.473 1.00 37.39 C -ATOM 2009 O GLN A 253 34.105 31.873 79.343 1.00 40.76 O -ATOM 2010 CB GLN A 253 36.171 33.957 79.824 1.00 37.17 C -ATOM 2011 CG GLN A 253 36.689 34.979 80.833 1.00 39.09 C -ATOM 2012 CD GLN A 253 36.624 36.418 80.335 1.00 43.58 C -ATOM 2013 OE1 GLN A 253 37.476 37.234 80.676 1.00 50.41 O -ATOM 2014 NE2 GLN A 253 35.592 36.744 79.561 1.00 45.00 N -ATOM 2015 N GLU A 254 35.875 30.569 78.937 1.00 34.09 N -ATOM 2016 CA GLU A 254 35.151 29.682 78.024 1.00 38.99 C -ATOM 2017 C GLU A 254 33.726 29.297 78.390 1.00 42.44 C -ATOM 2018 O GLU A 254 32.828 29.370 77.547 1.00 45.84 O -ATOM 2019 CB GLU A 254 35.956 28.417 77.732 1.00 35.64 C -ATOM 2020 CG GLU A 254 37.123 28.608 76.774 1.00 38.05 C -ATOM 2021 CD GLU A 254 38.327 29.313 77.390 1.00 45.57 C -ATOM 2022 OE1 GLU A 254 38.420 29.399 78.630 1.00 45.59 O -ATOM 2023 OE2 GLU A 254 39.202 29.776 76.625 1.00 49.04 O -ATOM 2024 N GLN A 255 33.500 28.948 79.652 1.00 47.57 N -ATOM 2025 CA GLN A 255 32.173 28.538 80.124 1.00 51.21 C -ATOM 2026 C GLN A 255 31.101 29.631 80.147 1.00 49.64 C -ATOM 2027 O GLN A 255 29.917 29.341 80.362 1.00 49.71 O -ATOM 2028 CB GLN A 255 32.290 27.923 81.524 1.00 57.58 C -ATOM 2029 CG GLN A 255 33.167 26.678 81.580 1.00 60.16 C -ATOM 2030 CD GLN A 255 32.633 25.563 80.702 1.00 61.28 C -ATOM 2031 OE1 GLN A 255 33.201 25.256 79.649 1.00 60.26 O -ATOM 2032 NE2 GLN A 255 31.521 24.956 81.125 1.00 58.60 N -ATOM 2033 N ARG A 256 31.520 30.881 79.961 1.00 47.70 N -ATOM 2034 CA ARG A 256 30.633 32.040 79.981 1.00 44.08 C -ATOM 2035 C ARG A 256 29.885 32.285 78.674 1.00 43.87 C -ATOM 2036 O ARG A 256 28.756 32.790 78.681 1.00 44.09 O -ATOM 2037 CB ARG A 256 31.427 33.276 80.354 1.00 37.07 C -ATOM 2038 N TYR A 257 30.524 31.943 77.559 1.00 45.97 N -ATOM 2039 CA TYR A 257 29.959 32.142 76.228 1.00 42.74 C -ATOM 2040 C TYR A 257 29.026 31.059 75.760 1.00 42.63 C -ATOM 2041 O TYR A 257 29.264 29.880 76.022 1.00 46.43 O -ATOM 2042 CB TYR A 257 31.070 32.268 75.205 1.00 34.86 C -ATOM 2043 CG TYR A 257 31.885 33.505 75.385 1.00 33.82 C -ATOM 2044 CD1 TYR A 257 32.994 33.510 76.220 1.00 34.09 C -ATOM 2045 CD2 TYR A 257 31.545 34.682 74.721 1.00 33.85 C -ATOM 2046 CE1 TYR A 257 33.750 34.658 76.397 1.00 42.25 C -ATOM 2047 CE2 TYR A 257 32.296 35.837 74.880 1.00 40.86 C -ATOM 2048 CZ TYR A 257 33.402 35.819 75.723 1.00 45.31 C -ATOM 2049 OH TYR A 257 34.164 36.954 75.880 1.00 50.71 O -ATOM 2050 N THR A 258 27.973 31.464 75.056 1.00 40.82 N -ATOM 2051 CA THR A 258 27.019 30.521 74.493 1.00 42.19 C -ATOM 2052 C THR A 258 26.656 30.917 73.059 1.00 42.85 C -ATOM 2053 O THR A 258 26.427 32.100 72.777 1.00 42.07 O -ATOM 2054 CB THR A 258 25.730 30.401 75.347 1.00 36.52 C -ATOM 2055 OG1 THR A 258 25.270 31.701 75.746 1.00 37.98 O -ATOM 2056 CG2 THR A 258 25.977 29.531 76.558 1.00 35.24 C -ATOM 2057 N CYS A 259 26.655 29.941 72.151 1.00 41.67 N -ATOM 2058 CA CYS A 259 26.301 30.186 70.751 1.00 38.54 C -ATOM 2059 C CYS A 259 24.832 29.855 70.584 1.00 36.37 C -ATOM 2060 O CYS A 259 24.344 28.877 71.143 1.00 34.93 O -ATOM 2061 CB CYS A 259 27.136 29.324 69.809 1.00 39.29 C -ATOM 2062 SG CYS A 259 26.662 29.456 68.050 1.00 46.88 S -ATOM 2063 N HIS A 260 24.123 30.671 69.819 1.00 38.13 N -ATOM 2064 CA HIS A 260 22.699 30.464 69.629 1.00 40.41 C -ATOM 2065 C HIS A 260 22.377 30.404 68.158 1.00 41.81 C -ATOM 2066 O HIS A 260 22.538 31.398 67.449 1.00 39.29 O -ATOM 2067 CB HIS A 260 21.933 31.581 70.321 1.00 45.98 C -ATOM 2068 CG HIS A 260 22.296 31.727 71.765 1.00 53.09 C -ATOM 2069 ND1 HIS A 260 21.543 31.170 72.778 1.00 56.64 N -ATOM 2070 CD2 HIS A 260 23.373 32.288 72.360 1.00 50.52 C -ATOM 2071 CE1 HIS A 260 22.147 31.378 73.934 1.00 58.86 C -ATOM 2072 NE2 HIS A 260 23.261 32.053 73.710 1.00 52.97 N -ATOM 2073 N VAL A 261 21.923 29.223 67.726 1.00 41.41 N -ATOM 2074 CA VAL A 261 21.588 28.920 66.338 1.00 39.79 C -ATOM 2075 C VAL A 261 20.080 28.857 66.149 1.00 42.15 C -ATOM 2076 O VAL A 261 19.386 28.116 66.857 1.00 41.00 O -ATOM 2077 CB VAL A 261 22.189 27.552 65.919 1.00 37.98 C -ATOM 2078 CG1 VAL A 261 21.932 27.274 64.462 1.00 37.35 C -ATOM 2079 CG2 VAL A 261 23.674 27.508 66.208 1.00 41.29 C -ATOM 2080 N GLN A 262 19.578 29.638 65.195 1.00 43.95 N -ATOM 2081 CA GLN A 262 18.147 29.679 64.887 1.00 45.05 C -ATOM 2082 C GLN A 262 17.963 29.295 63.402 1.00 40.75 C -ATOM 2083 O GLN A 262 18.638 29.825 62.513 1.00 36.13 O -ATOM 2084 CB GLN A 262 17.582 31.081 65.195 1.00 51.05 C -ATOM 2085 CG GLN A 262 16.161 31.112 65.800 1.00 59.03 C -ATOM 2086 CD GLN A 262 15.760 32.499 66.344 1.00 66.29 C -ATOM 2087 OE1 GLN A 262 16.401 33.519 66.057 1.00 65.42 O -ATOM 2088 NE2 GLN A 262 14.703 32.528 67.149 1.00 68.38 N -ATOM 2089 N HIS A 263 17.065 28.356 63.139 1.00 36.08 N -ATOM 2090 CA HIS A 263 16.846 27.903 61.781 1.00 34.37 C -ATOM 2091 C HIS A 263 15.533 27.141 61.698 1.00 40.24 C -ATOM 2092 O HIS A 263 15.186 26.444 62.629 1.00 42.97 O -ATOM 2093 CB HIS A 263 18.003 26.993 61.382 1.00 33.84 C -ATOM 2094 CG HIS A 263 17.949 26.530 59.961 1.00 35.29 C -ATOM 2095 ND1 HIS A 263 18.573 27.203 58.933 1.00 30.10 N -ATOM 2096 CD2 HIS A 263 17.346 25.458 59.395 1.00 31.96 C -ATOM 2097 CE1 HIS A 263 18.358 26.570 57.798 1.00 34.14 C -ATOM 2098 NE2 HIS A 263 17.615 25.506 58.052 1.00 37.79 N -ATOM 2099 N GLU A 264 14.837 27.234 60.561 1.00 49.65 N -ATOM 2100 CA GLU A 264 13.539 26.564 60.342 1.00 48.66 C -ATOM 2101 C GLU A 264 13.535 25.064 60.649 1.00 49.12 C -ATOM 2102 O GLU A 264 12.512 24.504 61.043 1.00 50.79 O -ATOM 2103 CB GLU A 264 13.049 26.805 58.899 1.00 44.76 C -ATOM 2104 N GLY A 265 14.671 24.416 60.418 1.00 49.32 N -ATOM 2105 CA GLY A 265 14.796 22.993 60.674 1.00 50.92 C -ATOM 2106 C GLY A 265 14.866 22.658 62.151 1.00 51.54 C -ATOM 2107 O GLY A 265 14.631 21.519 62.550 1.00 53.51 O -ATOM 2108 N LEU A 266 15.229 23.642 62.963 1.00 49.46 N -ATOM 2109 CA LEU A 266 15.326 23.453 64.406 1.00 48.17 C -ATOM 2110 C LEU A 266 13.964 23.710 65.071 1.00 52.64 C -ATOM 2111 O LEU A 266 13.405 24.814 64.975 1.00 48.59 O -ATOM 2112 CB LEU A 266 16.395 24.383 64.995 1.00 35.99 C -ATOM 2113 CG LEU A 266 17.780 24.241 64.366 1.00 30.22 C -ATOM 2114 CD1 LEU A 266 18.726 25.291 64.902 1.00 25.49 C -ATOM 2115 CD2 LEU A 266 18.317 22.852 64.591 1.00 24.40 C -ATOM 2116 N PRO A 267 13.409 22.681 65.750 1.00 56.02 N -ATOM 2117 CA PRO A 267 12.109 22.830 66.422 1.00 56.07 C -ATOM 2118 C PRO A 267 12.268 23.916 67.488 1.00 57.70 C -ATOM 2119 O PRO A 267 11.486 24.871 67.559 1.00 57.69 O -ATOM 2120 CB PRO A 267 11.904 21.456 67.070 1.00 54.24 C -ATOM 2121 CG PRO A 267 12.749 20.525 66.222 1.00 54.23 C -ATOM 2122 CD PRO A 267 13.981 21.346 65.999 1.00 53.61 C -ATOM 2123 N LYS A 268 13.319 23.762 68.290 1.00 56.97 N -ATOM 2124 CA LYS A 268 13.647 24.705 69.354 1.00 55.78 C -ATOM 2125 C LYS A 268 15.054 25.219 69.064 1.00 52.33 C -ATOM 2126 O LYS A 268 15.909 24.470 68.577 1.00 50.71 O -ATOM 2127 CB LYS A 268 13.603 24.004 70.722 1.00 50.45 C -ATOM 2128 N PRO A 269 15.280 26.527 69.263 1.00 49.43 N -ATOM 2129 CA PRO A 269 16.599 27.120 69.021 1.00 53.68 C -ATOM 2130 C PRO A 269 17.693 26.440 69.857 1.00 57.87 C -ATOM 2131 O PRO A 269 17.493 26.117 71.032 1.00 63.58 O -ATOM 2132 CB PRO A 269 16.380 28.576 69.426 1.00 53.73 C -ATOM 2133 CG PRO A 269 14.958 28.813 69.026 1.00 51.47 C -ATOM 2134 CD PRO A 269 14.277 27.567 69.541 1.00 48.43 C -ATOM 2135 N LEU A 270 18.838 26.188 69.238 1.00 57.52 N -ATOM 2136 CA LEU A 270 19.924 25.530 69.933 1.00 55.18 C -ATOM 2137 C LEU A 270 20.785 26.555 70.624 1.00 56.33 C -ATOM 2138 O LEU A 270 20.774 27.739 70.266 1.00 59.13 O -ATOM 2139 CB LEU A 270 20.806 24.748 68.956 1.00 54.46 C -ATOM 2140 CG LEU A 270 20.170 23.718 68.029 1.00 55.02 C -ATOM 2141 CD1 LEU A 270 21.268 23.056 67.217 1.00 59.93 C -ATOM 2142 CD2 LEU A 270 19.386 22.687 68.819 1.00 56.98 C -ATOM 2143 N THR A 271 21.536 26.073 71.608 1.00 53.93 N -ATOM 2144 CA THR A 271 22.471 26.872 72.377 1.00 46.98 C -ATOM 2145 C THR A 271 23.647 25.913 72.578 1.00 41.64 C -ATOM 2146 O THR A 271 23.476 24.809 73.099 1.00 41.80 O -ATOM 2147 CB THR A 271 21.869 27.291 73.749 1.00 51.60 C -ATOM 2148 OG1 THR A 271 20.701 28.117 73.558 1.00 50.69 O -ATOM 2149 CG2 THR A 271 22.895 28.055 74.557 1.00 52.29 C -ATOM 2150 N LEU A 272 24.820 26.292 72.086 1.00 40.54 N -ATOM 2151 CA LEU A 272 26.003 25.443 72.211 1.00 37.65 C -ATOM 2152 C LEU A 272 26.943 26.045 73.232 1.00 37.94 C -ATOM 2153 O LEU A 272 27.214 27.252 73.196 1.00 36.12 O -ATOM 2154 CB LEU A 272 26.743 25.345 70.877 1.00 34.04 C -ATOM 2155 CG LEU A 272 25.987 24.968 69.605 1.00 43.46 C -ATOM 2156 CD1 LEU A 272 26.988 24.796 68.469 1.00 38.19 C -ATOM 2157 CD2 LEU A 272 25.206 23.682 69.819 1.00 48.62 C -ATOM 2158 N ARG A 273 27.434 25.208 74.139 1.00 36.44 N -ATOM 2159 CA ARG A 273 28.375 25.649 75.172 1.00 39.57 C -ATOM 2160 C ARG A 273 29.710 24.904 74.938 1.00 39.64 C -ATOM 2161 O ARG A 273 29.699 23.815 74.383 1.00 36.90 O -ATOM 2162 CB ARG A 273 27.797 25.337 76.576 1.00 32.47 C -ATOM 2163 N TRP A 274 30.844 25.510 75.290 1.00 42.18 N -ATOM 2164 CA TRP A 274 32.135 24.845 75.106 1.00 46.30 C -ATOM 2165 C TRP A 274 32.427 23.913 76.294 1.00 50.65 C -ATOM 2166 O TRP A 274 33.295 24.174 77.119 1.00 43.13 O -ATOM 2167 CB TRP A 274 33.246 25.878 74.943 1.00 40.82 C -ATOM 2168 CG TRP A 274 34.633 25.307 74.816 1.00 36.41 C -ATOM 2169 CD1 TRP A 274 35.689 25.553 75.642 1.00 34.59 C -ATOM 2170 CD2 TRP A 274 35.119 24.416 73.793 1.00 30.60 C -ATOM 2171 NE1 TRP A 274 36.801 24.878 75.203 1.00 38.32 N -ATOM 2172 CE2 TRP A 274 36.483 24.171 74.069 1.00 32.94 C -ATOM 2173 CE3 TRP A 274 34.542 23.808 72.676 1.00 27.74 C -ATOM 2174 CZ2 TRP A 274 37.282 23.341 73.266 1.00 30.71 C -ATOM 2175 CZ3 TRP A 274 35.333 22.984 71.875 1.00 32.88 C -ATOM 2176 CH2 TRP A 274 36.691 22.759 72.176 1.00 31.20 C -ATOM 2177 N GLU A 275 31.695 22.810 76.339 1.00 61.33 N -ATOM 2178 CA GLU A 275 31.808 21.857 77.421 1.00 73.68 C -ATOM 2179 C GLU A 275 32.413 20.539 76.950 1.00 77.08 C -ATOM 2180 O GLU A 275 33.611 20.513 76.643 1.00 78.51 O -ATOM 2181 CB GLU A 275 30.423 21.634 78.038 1.00 78.31 C -ATOM 2182 CG GLU A 275 29.767 22.915 78.568 1.00 91.41 C -ATOM 2183 CD GLU A 275 28.379 22.689 79.191 1.00 98.22 C -ATOM 2184 OE1 GLU A 275 27.443 22.313 78.453 1.00100.00 O -ATOM 2185 OE2 GLU A 275 28.214 22.908 80.412 1.00100.00 O -ATOM 2186 OXT GLU A 275 31.743 19.490 76.947 1.00 81.19 O -TER 2187 GLU A 275 -ATOM 2188 N ILE B 1 28.359 52.163 42.324 1.00 88.79 N -ATOM 2189 CA ILE B 1 29.504 52.506 43.222 1.00 86.93 C -ATOM 2190 C ILE B 1 30.315 51.230 43.422 1.00 79.61 C -ATOM 2191 O ILE B 1 29.746 50.161 43.661 1.00 79.44 O -ATOM 2192 CB ILE B 1 29.014 53.053 44.603 1.00 91.69 C -ATOM 2193 CG1 ILE B 1 28.014 54.202 44.396 1.00 96.23 C -ATOM 2194 CG2 ILE B 1 30.204 53.537 45.446 1.00 88.66 C -ATOM 2195 CD1 ILE B 1 28.565 55.387 43.585 1.00 99.05 C -ATOM 2196 N GLN B 2 31.628 51.340 43.248 1.00 68.60 N -ATOM 2197 CA GLN B 2 32.521 50.201 43.387 1.00 57.16 C -ATOM 2198 C GLN B 2 32.591 49.644 44.805 1.00 52.72 C -ATOM 2199 O GLN B 2 33.028 50.327 45.726 1.00 55.46 O -ATOM 2200 CB GLN B 2 33.933 50.571 42.917 1.00 55.51 C -ATOM 2201 CG GLN B 2 34.062 50.871 41.429 1.00 52.58 C -ATOM 2202 CD GLN B 2 35.508 50.996 40.968 1.00 49.51 C -ATOM 2203 OE1 GLN B 2 36.441 50.895 41.759 1.00 53.52 O -ATOM 2204 NE2 GLN B 2 35.695 51.203 39.674 1.00 53.60 N -ATOM 2205 N ARG B 3 32.132 48.413 44.980 1.00 47.40 N -ATOM 2206 CA ARG B 3 32.185 47.748 46.273 1.00 45.51 C -ATOM 2207 C ARG B 3 33.148 46.587 46.054 1.00 45.96 C -ATOM 2208 O ARG B 3 33.058 45.877 45.049 1.00 45.74 O -ATOM 2209 CB ARG B 3 30.811 47.224 46.694 1.00 47.29 C -ATOM 2210 CG ARG B 3 29.696 48.267 46.719 1.00 48.91 C -ATOM 2211 CD ARG B 3 28.326 47.614 46.949 1.00 47.40 C -ATOM 2212 NE ARG B 3 27.255 48.345 46.274 1.00 51.23 N -ATOM 2213 CZ ARG B 3 26.200 47.771 45.705 1.00 54.69 C -ATOM 2214 NH1 ARG B 3 26.060 46.452 45.724 1.00 52.66 N -ATOM 2215 NH2 ARG B 3 25.291 48.516 45.094 1.00 60.15 N -ATOM 2216 N THR B 4 34.080 46.418 46.986 1.00 48.32 N -ATOM 2217 CA THR B 4 35.110 45.380 46.913 1.00 44.22 C -ATOM 2218 C THR B 4 34.629 43.997 47.368 1.00 38.77 C -ATOM 2219 O THR B 4 33.750 43.882 48.227 1.00 36.63 O -ATOM 2220 CB THR B 4 36.371 45.835 47.708 1.00 50.30 C -ATOM 2221 OG1 THR B 4 37.536 45.164 47.209 1.00 48.52 O -ATOM 2222 CG2 THR B 4 36.200 45.590 49.211 1.00 51.54 C -ATOM 2223 N PRO B 5 35.216 42.931 46.798 1.00 35.53 N -ATOM 2224 CA PRO B 5 34.875 41.539 47.105 1.00 37.33 C -ATOM 2225 C PRO B 5 35.056 41.099 48.562 1.00 44.27 C -ATOM 2226 O PRO B 5 35.989 41.534 49.245 1.00 50.42 O -ATOM 2227 CB PRO B 5 35.845 40.742 46.218 1.00 27.35 C -ATOM 2228 CG PRO B 5 36.258 41.664 45.179 1.00 22.60 C -ATOM 2229 CD PRO B 5 36.341 42.986 45.849 1.00 31.38 C -ATOM 2230 N LYS B 6 34.176 40.212 49.017 1.00 43.47 N -ATOM 2231 CA LYS B 6 34.278 39.633 50.350 1.00 46.10 C -ATOM 2232 C LYS B 6 34.605 38.169 50.035 1.00 45.92 C -ATOM 2233 O LYS B 6 33.727 37.392 49.637 1.00 45.10 O -ATOM 2234 CB LYS B 6 32.964 39.782 51.126 1.00 45.94 C -ATOM 2235 CG LYS B 6 32.708 41.211 51.600 1.00 43.20 C -ATOM 2236 CD LYS B 6 31.334 41.361 52.229 1.00 45.35 C -ATOM 2237 CE LYS B 6 30.239 41.161 51.200 1.00 43.26 C -ATOM 2238 NZ LYS B 6 28.886 41.065 51.801 1.00 38.46 N -ATOM 2239 N ILE B 7 35.900 37.858 50.120 1.00 42.01 N -ATOM 2240 CA ILE B 7 36.469 36.542 49.814 1.00 36.44 C -ATOM 2241 C ILE B 7 36.488 35.509 50.954 1.00 39.16 C -ATOM 2242 O ILE B 7 36.882 35.807 52.088 1.00 42.42 O -ATOM 2243 CB ILE B 7 37.924 36.724 49.307 1.00 33.09 C -ATOM 2244 CG1 ILE B 7 37.992 37.905 48.342 1.00 26.15 C -ATOM 2245 CG2 ILE B 7 38.446 35.458 48.625 1.00 28.95 C -ATOM 2246 CD1 ILE B 7 39.330 38.586 48.348 1.00 18.31 C -ATOM 2247 N GLN B 8 36.128 34.275 50.613 1.00 33.63 N -ATOM 2248 CA GLN B 8 36.118 33.177 51.559 1.00 31.78 C -ATOM 2249 C GLN B 8 36.528 31.901 50.853 1.00 34.61 C -ATOM 2250 O GLN B 8 35.821 31.458 49.950 1.00 35.25 O -ATOM 2251 CB GLN B 8 34.725 32.928 52.114 1.00 30.32 C -ATOM 2252 CG GLN B 8 34.153 33.963 53.049 1.00 29.61 C -ATOM 2253 CD GLN B 8 32.932 33.408 53.766 1.00 29.33 C -ATOM 2254 OE1 GLN B 8 32.996 32.337 54.361 1.00 36.74 O -ATOM 2255 NE2 GLN B 8 31.809 34.102 53.673 1.00 31.57 N -ATOM 2256 N VAL B 9 37.641 31.307 51.294 1.00 35.38 N -ATOM 2257 CA VAL B 9 38.171 30.039 50.765 1.00 31.71 C -ATOM 2258 C VAL B 9 37.845 28.978 51.814 1.00 29.53 C -ATOM 2259 O VAL B 9 38.111 29.172 52.992 1.00 35.84 O -ATOM 2260 CB VAL B 9 39.714 30.068 50.621 1.00 29.47 C -ATOM 2261 CG1 VAL B 9 40.197 28.860 49.837 1.00 22.08 C -ATOM 2262 CG2 VAL B 9 40.163 31.359 49.981 1.00 29.24 C -ATOM 2263 N TYR B 10 37.267 27.868 51.391 1.00 29.43 N -ATOM 2264 CA TYR B 10 36.897 26.791 52.300 1.00 30.08 C -ATOM 2265 C TYR B 10 36.650 25.520 51.504 1.00 35.03 C -ATOM 2266 O TYR B 10 36.648 25.549 50.285 1.00 39.52 O -ATOM 2267 CB TYR B 10 35.626 27.155 53.071 1.00 27.44 C -ATOM 2268 CG TYR B 10 34.464 27.584 52.205 1.00 25.41 C -ATOM 2269 CD1 TYR B 10 34.384 28.892 51.718 1.00 32.43 C -ATOM 2270 CD2 TYR B 10 33.434 26.698 51.887 1.00 23.49 C -ATOM 2271 CE1 TYR B 10 33.307 29.315 50.936 1.00 31.78 C -ATOM 2272 CE2 TYR B 10 32.343 27.108 51.103 1.00 27.41 C -ATOM 2273 CZ TYR B 10 32.290 28.422 50.631 1.00 32.32 C -ATOM 2274 OH TYR B 10 31.230 28.845 49.856 1.00 35.84 O -ATOM 2275 N SER B 11 36.424 24.406 52.178 1.00 33.51 N -ATOM 2276 CA SER B 11 36.168 23.167 51.480 1.00 35.29 C -ATOM 2277 C SER B 11 34.714 22.827 51.765 1.00 39.42 C -ATOM 2278 O SER B 11 34.151 23.314 52.748 1.00 41.66 O -ATOM 2279 CB SER B 11 37.125 22.083 51.967 1.00 41.18 C -ATOM 2280 OG SER B 11 37.250 22.100 53.381 1.00 46.30 O -ATOM 2281 N ARG B 12 34.089 22.038 50.895 1.00 40.02 N -ATOM 2282 CA ARG B 12 32.677 21.685 51.072 1.00 43.55 C -ATOM 2283 C ARG B 12 32.389 20.831 52.318 1.00 44.86 C -ATOM 2284 O ARG B 12 31.440 21.078 53.078 1.00 41.53 O -ATOM 2285 CB ARG B 12 32.148 20.972 49.827 1.00 41.27 C -ATOM 2286 CG ARG B 12 30.665 20.658 49.906 1.00 46.06 C -ATOM 2287 CD ARG B 12 30.214 19.792 48.758 1.00 44.49 C -ATOM 2288 NE ARG B 12 30.428 20.438 47.472 1.00 41.93 N -ATOM 2289 CZ ARG B 12 30.324 19.821 46.299 1.00 40.76 C -ATOM 2290 NH1 ARG B 12 30.012 18.533 46.237 1.00 31.38 N -ATOM 2291 NH2 ARG B 12 30.534 20.500 45.181 1.00 40.62 N -ATOM 2292 N HIS B 13 33.180 19.778 52.469 1.00 47.41 N -ATOM 2293 CA HIS B 13 33.055 18.853 53.578 1.00 45.94 C -ATOM 2294 C HIS B 13 34.254 19.074 54.506 1.00 52.70 C -ATOM 2295 O HIS B 13 35.231 19.732 54.114 1.00 51.01 O -ATOM 2296 CB HIS B 13 33.063 17.425 53.032 1.00 36.57 C -ATOM 2297 CG HIS B 13 32.045 17.178 51.962 1.00 32.63 C -ATOM 2298 ND1 HIS B 13 30.689 17.325 52.171 1.00 38.96 N -ATOM 2299 CD2 HIS B 13 32.183 16.759 50.683 1.00 35.51 C -ATOM 2300 CE1 HIS B 13 30.036 17.002 51.070 1.00 35.09 C -ATOM 2301 NE2 HIS B 13 30.918 16.655 50.151 1.00 38.48 N -ATOM 2302 N PRO B 14 34.175 18.594 55.767 1.00 55.92 N -ATOM 2303 CA PRO B 14 35.315 18.788 56.669 1.00 55.18 C -ATOM 2304 C PRO B 14 36.587 18.175 56.072 1.00 56.57 C -ATOM 2305 O PRO B 14 36.598 17.013 55.649 1.00 54.73 O -ATOM 2306 CB PRO B 14 34.858 18.071 57.936 1.00 54.41 C -ATOM 2307 CG PRO B 14 33.382 18.352 57.937 1.00 50.80 C -ATOM 2308 CD PRO B 14 33.020 18.045 56.505 1.00 56.18 C -ATOM 2309 N ALA B 15 37.634 18.992 55.991 1.00 59.29 N -ATOM 2310 CA ALA B 15 38.916 18.588 55.428 1.00 62.31 C -ATOM 2311 C ALA B 15 39.523 17.342 56.076 1.00 65.83 C -ATOM 2312 O ALA B 15 40.105 17.410 57.163 1.00 66.80 O -ATOM 2313 CB ALA B 15 39.899 19.758 55.489 1.00 54.51 C -ATOM 2314 N GLU B 16 39.361 16.203 55.412 1.00 66.12 N -ATOM 2315 CA GLU B 16 39.911 14.953 55.904 1.00 69.34 C -ATOM 2316 C GLU B 16 41.012 14.506 54.954 1.00 65.44 C -ATOM 2317 O GLU B 16 40.719 14.065 53.847 1.00 67.29 O -ATOM 2318 CB GLU B 16 38.818 13.886 55.997 1.00 77.80 C -ATOM 2319 CG GLU B 16 37.817 14.114 57.139 1.00 90.03 C -ATOM 2320 CD GLU B 16 36.854 12.941 57.350 1.00 97.13 C -ATOM 2321 OE1 GLU B 16 37.254 11.774 57.120 1.00 99.97 O -ATOM 2322 OE2 GLU B 16 35.696 13.185 57.760 1.00 99.24 O -ATOM 2323 N ASN B 17 42.268 14.638 55.388 1.00 61.50 N -ATOM 2324 CA ASN B 17 43.445 14.264 54.590 1.00 56.95 C -ATOM 2325 C ASN B 17 43.304 12.956 53.842 1.00 59.89 C -ATOM 2326 O ASN B 17 42.844 11.968 54.405 1.00 64.97 O -ATOM 2327 CB ASN B 17 44.684 14.177 55.470 1.00 48.13 C -ATOM 2328 CG ASN B 17 45.064 15.499 56.041 1.00 46.58 C -ATOM 2329 OD1 ASN B 17 44.332 16.467 55.901 1.00 46.33 O -ATOM 2330 ND2 ASN B 17 46.212 15.560 56.694 1.00 47.33 N -ATOM 2331 N GLY B 18 43.718 12.949 52.579 1.00 59.88 N -ATOM 2332 CA GLY B 18 43.627 11.747 51.773 1.00 60.08 C -ATOM 2333 C GLY B 18 42.234 11.475 51.235 1.00 61.89 C -ATOM 2334 O GLY B 18 42.068 10.598 50.385 1.00 63.12 O -ATOM 2335 N LYS B 19 41.244 12.246 51.686 1.00 63.16 N -ATOM 2336 CA LYS B 19 39.856 12.075 51.247 1.00 67.37 C -ATOM 2337 C LYS B 19 39.355 13.188 50.308 1.00 69.30 C -ATOM 2338 O LYS B 19 39.545 14.384 50.568 1.00 66.94 O -ATOM 2339 CB LYS B 19 38.924 11.927 52.462 1.00 65.83 C -ATOM 2340 N SER B 20 38.722 12.763 49.213 1.00 72.77 N -ATOM 2341 CA SER B 20 38.169 13.648 48.184 1.00 73.87 C -ATOM 2342 C SER B 20 37.151 14.646 48.728 1.00 70.84 C -ATOM 2343 O SER B 20 36.191 14.279 49.409 1.00 70.59 O -ATOM 2344 CB SER B 20 37.514 12.815 47.082 1.00 76.53 C -ATOM 2345 OG SER B 20 38.360 11.745 46.693 1.00 86.99 O -ATOM 2346 N ASN B 21 37.329 15.903 48.351 1.00 65.49 N -ATOM 2347 CA ASN B 21 36.459 16.977 48.800 1.00 59.00 C -ATOM 2348 C ASN B 21 36.529 18.031 47.687 1.00 60.13 C -ATOM 2349 O ASN B 21 37.054 17.753 46.598 1.00 62.77 O -ATOM 2350 CB ASN B 21 37.028 17.518 50.120 1.00 54.69 C -ATOM 2351 CG ASN B 21 36.071 18.436 50.864 1.00 46.85 C -ATOM 2352 OD1 ASN B 21 34.943 18.682 50.442 1.00 44.91 O -ATOM 2353 ND2 ASN B 21 36.524 18.941 51.990 1.00 45.60 N -ATOM 2354 N PHE B 22 35.972 19.214 47.930 1.00 56.56 N -ATOM 2355 CA PHE B 22 35.997 20.289 46.951 1.00 49.28 C -ATOM 2356 C PHE B 22 36.501 21.563 47.575 1.00 46.80 C -ATOM 2357 O PHE B 22 36.196 21.866 48.735 1.00 45.11 O -ATOM 2358 CB PHE B 22 34.611 20.537 46.384 1.00 52.40 C -ATOM 2359 CG PHE B 22 34.164 19.494 45.415 1.00 58.83 C -ATOM 2360 CD1 PHE B 22 33.640 18.281 45.862 1.00 58.46 C -ATOM 2361 CD2 PHE B 22 34.251 19.727 44.048 1.00 61.12 C -ATOM 2362 CE1 PHE B 22 33.210 17.312 44.961 1.00 56.47 C -ATOM 2363 CE2 PHE B 22 33.822 18.765 43.135 1.00 61.55 C -ATOM 2364 CZ PHE B 22 33.298 17.553 43.593 1.00 59.31 C -ATOM 2365 N LEU B 23 37.346 22.262 46.830 1.00 45.03 N -ATOM 2366 CA LEU B 23 37.896 23.528 47.279 1.00 42.35 C -ATOM 2367 C LEU B 23 36.998 24.626 46.738 1.00 40.88 C -ATOM 2368 O LEU B 23 36.817 24.760 45.531 1.00 47.81 O -ATOM 2369 CB LEU B 23 39.323 23.712 46.779 1.00 37.10 C -ATOM 2370 CG LEU B 23 40.010 24.945 47.352 1.00 36.36 C -ATOM 2371 CD1 LEU B 23 39.951 24.941 48.875 1.00 28.89 C -ATOM 2372 CD2 LEU B 23 41.438 24.951 46.871 1.00 39.94 C -ATOM 2373 N ASN B 24 36.414 25.387 47.648 1.00 39.58 N -ATOM 2374 CA ASN B 24 35.504 26.465 47.303 1.00 34.99 C -ATOM 2375 C ASN B 24 36.101 27.854 47.549 1.00 32.98 C -ATOM 2376 O ASN B 24 36.902 28.048 48.461 1.00 32.50 O -ATOM 2377 CB ASN B 24 34.186 26.323 48.100 1.00 29.86 C -ATOM 2378 CG ASN B 24 33.349 25.117 47.673 1.00 27.79 C -ATOM 2379 OD1 ASN B 24 33.667 24.435 46.709 1.00 40.64 O -ATOM 2380 ND2 ASN B 24 32.264 24.867 48.385 1.00 29.57 N -ATOM 2381 N CYS B 25 35.809 28.783 46.650 1.00 31.32 N -ATOM 2382 CA CYS B 25 36.224 30.163 46.824 1.00 26.38 C -ATOM 2383 C CYS B 25 34.909 30.876 46.549 1.00 28.23 C -ATOM 2384 O CYS B 25 34.172 30.498 45.651 1.00 33.37 O -ATOM 2385 CB CYS B 25 37.325 30.591 45.870 1.00 22.65 C -ATOM 2386 SG CYS B 25 37.950 32.261 46.290 1.00 27.42 S -ATOM 2387 N TYR B 26 34.543 31.801 47.415 1.00 26.85 N -ATOM 2388 CA TYR B 26 33.283 32.502 47.286 1.00 22.67 C -ATOM 2389 C TYR B 26 33.654 33.938 47.469 1.00 27.36 C -ATOM 2390 O TYR B 26 34.409 34.264 48.379 1.00 34.28 O -ATOM 2391 CB TYR B 26 32.347 32.043 48.416 1.00 28.46 C -ATOM 2392 CG TYR B 26 30.936 32.602 48.402 1.00 25.30 C -ATOM 2393 CD1 TYR B 26 30.021 32.236 47.407 1.00 18.89 C -ATOM 2394 CD2 TYR B 26 30.512 33.494 49.392 1.00 24.13 C -ATOM 2395 CE1 TYR B 26 28.719 32.747 47.396 1.00 19.03 C -ATOM 2396 CE2 TYR B 26 29.212 34.009 49.390 1.00 21.25 C -ATOM 2397 CZ TYR B 26 28.325 33.632 48.389 1.00 25.52 C -ATOM 2398 OH TYR B 26 27.053 34.151 48.380 1.00 30.02 O -ATOM 2399 N VAL B 27 33.241 34.770 46.529 1.00 28.46 N -ATOM 2400 CA VAL B 27 33.506 36.200 46.589 1.00 24.41 C -ATOM 2401 C VAL B 27 32.125 36.822 46.499 1.00 20.22 C -ATOM 2402 O VAL B 27 31.274 36.322 45.779 1.00 19.48 O -ATOM 2403 CB VAL B 27 34.401 36.653 45.418 1.00 26.87 C -ATOM 2404 CG1 VAL B 27 35.797 36.097 45.574 1.00 24.99 C -ATOM 2405 CG2 VAL B 27 33.837 36.163 44.103 1.00 39.70 C -ATOM 2406 N SER B 28 31.863 37.869 47.263 1.00 22.39 N -ATOM 2407 CA SER B 28 30.539 38.453 47.220 1.00 21.84 C -ATOM 2408 C SER B 28 30.543 39.915 47.580 1.00 21.57 C -ATOM 2409 O SER B 28 31.590 40.482 47.876 1.00 23.72 O -ATOM 2410 CB SER B 28 29.605 37.701 48.166 1.00 29.46 C -ATOM 2411 OG SER B 28 29.985 37.912 49.511 1.00 40.78 O -ATOM 2412 N GLY B 29 29.360 40.519 47.524 1.00 18.00 N -ATOM 2413 CA GLY B 29 29.211 41.921 47.843 1.00 21.22 C -ATOM 2414 C GLY B 29 30.045 42.871 47.006 1.00 26.36 C -ATOM 2415 O GLY B 29 30.348 43.971 47.472 1.00 32.16 O -ATOM 2416 N PHE B 30 30.411 42.473 45.781 1.00 32.90 N -ATOM 2417 CA PHE B 30 31.200 43.336 44.886 1.00 26.74 C -ATOM 2418 C PHE B 30 30.413 43.996 43.756 1.00 28.08 C -ATOM 2419 O PHE B 30 29.242 43.678 43.494 1.00 20.38 O -ATOM 2420 CB PHE B 30 32.425 42.622 44.309 1.00 22.86 C -ATOM 2421 CG PHE B 30 32.129 41.308 43.632 1.00 28.09 C -ATOM 2422 CD1 PHE B 30 31.774 40.189 44.369 1.00 30.98 C -ATOM 2423 CD2 PHE B 30 32.260 41.175 42.259 1.00 34.85 C -ATOM 2424 CE1 PHE B 30 31.560 38.952 43.749 1.00 32.07 C -ATOM 2425 CE2 PHE B 30 32.049 39.941 41.634 1.00 35.09 C -ATOM 2426 CZ PHE B 30 31.698 38.831 42.385 1.00 30.57 C -ATOM 2427 N HIS B 31 31.032 45.014 43.175 1.00 30.56 N -ATOM 2428 CA HIS B 31 30.446 45.735 42.060 1.00 34.97 C -ATOM 2429 C HIS B 31 31.508 46.676 41.498 1.00 39.34 C -ATOM 2430 O HIS B 31 32.164 47.397 42.259 1.00 38.48 O -ATOM 2431 CB HIS B 31 29.205 46.517 42.491 1.00 34.39 C -ATOM 2432 CG HIS B 31 28.246 46.778 41.370 1.00 38.46 C -ATOM 2433 ND1 HIS B 31 28.541 47.618 40.315 1.00 33.37 N -ATOM 2434 CD2 HIS B 31 27.015 46.273 41.115 1.00 36.07 C -ATOM 2435 CE1 HIS B 31 27.536 47.615 39.459 1.00 36.15 C -ATOM 2436 NE2 HIS B 31 26.596 46.806 39.919 1.00 36.80 N -ATOM 2437 N PRO B 32 31.732 46.646 40.168 1.00 41.68 N -ATOM 2438 CA PRO B 32 31.100 45.846 39.111 1.00 37.21 C -ATOM 2439 C PRO B 32 31.447 44.360 39.145 1.00 37.00 C -ATOM 2440 O PRO B 32 32.304 43.945 39.922 1.00 34.18 O -ATOM 2441 CB PRO B 32 31.645 46.489 37.850 1.00 42.97 C -ATOM 2442 CG PRO B 32 33.031 46.864 38.272 1.00 39.36 C -ATOM 2443 CD PRO B 32 32.767 47.527 39.584 1.00 39.41 C -ATOM 2444 N SER B 33 30.826 43.601 38.235 1.00 43.99 N -ATOM 2445 CA SER B 33 30.987 42.136 38.098 1.00 48.99 C -ATOM 2446 C SER B 33 32.299 41.557 37.550 1.00 49.65 C -ATOM 2447 O SER B 33 32.574 40.372 37.755 1.00 47.72 O -ATOM 2448 CB SER B 33 29.826 41.552 37.287 1.00 46.69 C -ATOM 2449 OG SER B 33 29.666 42.263 36.071 1.00 50.66 O -ATOM 2450 N ASP B 34 33.051 42.330 36.771 1.00 52.40 N -ATOM 2451 CA ASP B 34 34.326 41.829 36.251 1.00 54.84 C -ATOM 2452 C ASP B 34 35.254 41.483 37.421 1.00 51.51 C -ATOM 2453 O ASP B 34 35.700 42.367 38.169 1.00 49.48 O -ATOM 2454 CB ASP B 34 34.997 42.862 35.342 1.00 60.55 C -ATOM 2455 CG ASP B 34 34.537 42.760 33.903 1.00 71.54 C -ATOM 2456 OD1 ASP B 34 33.361 43.076 33.613 1.00 76.04 O -ATOM 2457 OD2 ASP B 34 35.365 42.359 33.057 1.00 77.12 O -ATOM 2458 N ILE B 35 35.526 40.193 37.584 1.00 45.68 N -ATOM 2459 CA ILE B 35 36.383 39.739 38.666 1.00 38.10 C -ATOM 2460 C ILE B 35 37.172 38.497 38.254 1.00 35.05 C -ATOM 2461 O ILE B 35 36.648 37.602 37.588 1.00 28.28 O -ATOM 2462 CB ILE B 35 35.537 39.474 39.949 1.00 36.61 C -ATOM 2463 CG1 ILE B 35 36.445 39.307 41.174 1.00 32.75 C -ATOM 2464 CG2 ILE B 35 34.592 38.290 39.734 1.00 28.97 C -ATOM 2465 CD1 ILE B 35 35.697 39.139 42.478 1.00 28.53 C -ATOM 2466 N GLU B 36 38.457 38.484 38.593 1.00 34.65 N -ATOM 2467 CA GLU B 36 39.305 37.353 38.269 1.00 38.83 C -ATOM 2468 C GLU B 36 39.577 36.590 39.564 1.00 38.17 C -ATOM 2469 O GLU B 36 39.998 37.183 40.558 1.00 36.50 O -ATOM 2470 CB GLU B 36 40.614 37.814 37.627 1.00 40.94 C -ATOM 2471 CG GLU B 36 41.266 36.718 36.793 1.00 57.22 C -ATOM 2472 CD GLU B 36 42.643 37.091 36.251 1.00 65.54 C -ATOM 2473 OE1 GLU B 36 43.048 38.267 36.402 1.00 68.11 O -ATOM 2474 OE2 GLU B 36 43.322 36.195 35.682 1.00 64.72 O -ATOM 2475 N VAL B 37 39.309 35.285 39.542 1.00 38.95 N -ATOM 2476 CA VAL B 37 39.480 34.404 40.699 1.00 39.88 C -ATOM 2477 C VAL B 37 40.167 33.065 40.365 1.00 42.13 C -ATOM 2478 O VAL B 37 39.609 32.226 39.645 1.00 42.55 O -ATOM 2479 CB VAL B 37 38.108 34.057 41.335 1.00 36.19 C -ATOM 2480 CG1 VAL B 37 38.303 33.201 42.570 1.00 38.65 C -ATOM 2481 CG2 VAL B 37 37.338 35.309 41.670 1.00 34.41 C -ATOM 2482 N ASP B 38 41.339 32.840 40.948 1.00 43.05 N -ATOM 2483 CA ASP B 38 42.085 31.608 40.731 1.00 45.13 C -ATOM 2484 C ASP B 38 42.252 30.842 42.046 1.00 43.97 C -ATOM 2485 O ASP B 38 42.478 31.431 43.101 1.00 41.31 O -ATOM 2486 CB ASP B 38 43.496 31.902 40.188 1.00 50.55 C -ATOM 2487 CG ASP B 38 43.490 32.723 38.915 1.00 54.96 C -ATOM 2488 OD1 ASP B 38 42.693 32.413 38.001 1.00 62.46 O -ATOM 2489 OD2 ASP B 38 44.312 33.665 38.823 1.00 53.86 O -ATOM 2490 N LEU B 39 42.113 29.529 41.976 1.00 41.09 N -ATOM 2491 CA LEU B 39 42.326 28.687 43.135 1.00 42.59 C -ATOM 2492 C LEU B 39 43.772 28.212 42.946 1.00 45.15 C -ATOM 2493 O LEU B 39 44.142 27.793 41.851 1.00 49.95 O -ATOM 2494 CB LEU B 39 41.358 27.500 43.136 1.00 38.11 C -ATOM 2495 CG LEU B 39 39.912 27.730 43.569 1.00 31.62 C -ATOM 2496 CD1 LEU B 39 39.236 26.384 43.651 1.00 28.49 C -ATOM 2497 CD2 LEU B 39 39.852 28.420 44.920 1.00 31.65 C -ATOM 2498 N LEU B 40 44.595 28.283 43.986 1.00 46.05 N -ATOM 2499 CA LEU B 40 45.992 27.885 43.856 1.00 47.87 C -ATOM 2500 C LEU B 40 46.401 26.719 44.720 1.00 49.65 C -ATOM 2501 O LEU B 40 45.896 26.550 45.829 1.00 51.53 O -ATOM 2502 CB LEU B 40 46.914 29.046 44.216 1.00 48.45 C -ATOM 2503 CG LEU B 40 46.676 30.419 43.599 1.00 48.92 C -ATOM 2504 CD1 LEU B 40 47.598 31.436 44.272 1.00 45.00 C -ATOM 2505 CD2 LEU B 40 46.895 30.351 42.099 1.00 46.91 C -ATOM 2506 N LYS B 41 47.398 25.985 44.233 1.00 50.18 N -ATOM 2507 CA LYS B 41 47.978 24.844 44.928 1.00 52.31 C -ATOM 2508 C LYS B 41 49.488 25.057 45.004 1.00 55.01 C -ATOM 2509 O LYS B 41 50.209 24.866 44.020 1.00 56.82 O -ATOM 2510 CB LYS B 41 47.674 23.531 44.200 1.00 51.86 C -ATOM 2511 CG LYS B 41 48.334 22.322 44.841 1.00 48.66 C -ATOM 2512 CD LYS B 41 47.879 21.022 44.210 1.00 55.43 C -ATOM 2513 CE LYS B 41 48.608 19.845 44.850 1.00 61.73 C -ATOM 2514 NZ LYS B 41 48.132 18.498 44.402 1.00 64.49 N -ATOM 2515 N ASN B 42 49.950 25.489 46.174 1.00 57.00 N -ATOM 2516 CA ASN B 42 51.370 25.740 46.439 1.00 56.97 C -ATOM 2517 C ASN B 42 51.905 26.925 45.626 1.00 57.16 C -ATOM 2518 O ASN B 42 53.112 27.061 45.420 1.00 58.32 O -ATOM 2519 CB ASN B 42 52.210 24.474 46.172 1.00 55.44 C -ATOM 2520 CG ASN B 42 51.832 23.299 47.083 1.00 54.16 C -ATOM 2521 OD1 ASN B 42 51.716 23.446 48.303 1.00 50.49 O -ATOM 2522 ND2 ASN B 42 51.653 22.124 46.488 1.00 53.93 N -ATOM 2523 N GLY B 43 51.003 27.814 45.221 1.00 56.72 N -ATOM 2524 CA GLY B 43 51.388 28.967 44.423 1.00 58.55 C -ATOM 2525 C GLY B 43 51.022 28.765 42.955 1.00 59.97 C -ATOM 2526 O GLY B 43 50.774 29.731 42.223 1.00 53.50 O -ATOM 2527 N GLU B 44 50.980 27.500 42.533 1.00 60.61 N -ATOM 2528 CA GLU B 44 50.628 27.163 41.165 1.00 62.67 C -ATOM 2529 C GLU B 44 49.123 27.239 40.951 1.00 65.51 C -ATOM 2530 O GLU B 44 48.340 26.726 41.753 1.00 65.32 O -ATOM 2531 N ARG B 45 48.719 27.893 39.868 1.00 64.92 N -ATOM 2532 CA ARG B 45 47.312 28.053 39.536 1.00 59.79 C -ATOM 2533 C ARG B 45 46.732 26.690 39.192 1.00 55.14 C -ATOM 2534 O ARG B 45 47.370 25.907 38.490 1.00 49.79 O -ATOM 2535 CB ARG B 45 47.164 29.003 38.341 1.00 64.95 C -ATOM 2536 CG ARG B 45 45.862 29.795 38.312 1.00 70.42 C -ATOM 2537 CD ARG B 45 45.622 30.473 36.966 1.00 71.88 C -ATOM 2538 NE ARG B 45 45.250 29.514 35.922 1.00 75.30 N -ATOM 2539 CZ ARG B 45 44.000 29.123 35.652 1.00 75.60 C -ATOM 2540 NH1 ARG B 45 42.970 29.603 36.349 1.00 67.97 N -ATOM 2541 NH2 ARG B 45 43.779 28.270 34.651 1.00 73.30 N -ATOM 2542 N ILE B 46 45.561 26.383 39.744 1.00 52.97 N -ATOM 2543 CA ILE B 46 44.901 25.112 39.472 1.00 52.93 C -ATOM 2544 C ILE B 46 44.209 25.251 38.130 1.00 55.67 C -ATOM 2545 O ILE B 46 43.453 26.194 37.919 1.00 57.73 O -ATOM 2546 CB ILE B 46 43.849 24.751 40.536 1.00 48.04 C -ATOM 2547 CG1 ILE B 46 44.480 24.755 41.930 1.00 48.55 C -ATOM 2548 CG2 ILE B 46 43.274 23.372 40.242 1.00 42.09 C -ATOM 2549 CD1 ILE B 46 43.480 24.519 43.051 1.00 54.07 C -ATOM 2550 N GLU B 47 44.446 24.282 37.251 1.00 59.58 N -ATOM 2551 CA GLU B 47 43.887 24.300 35.912 1.00 59.23 C -ATOM 2552 C GLU B 47 42.385 24.343 35.729 1.00 62.62 C -ATOM 2553 O GLU B 47 41.819 25.386 35.393 1.00 66.24 O -ATOM 2554 N LYS B 48 41.730 23.211 35.947 1.00 63.00 N -ATOM 2555 CA LYS B 48 40.287 23.120 35.741 1.00 65.25 C -ATOM 2556 C LYS B 48 39.361 23.580 36.876 1.00 60.84 C -ATOM 2557 O LYS B 48 38.708 22.763 37.535 1.00 56.64 O -ATOM 2558 CB LYS B 48 39.934 21.702 35.300 1.00 74.45 C -ATOM 2559 CG LYS B 48 40.665 21.259 34.039 1.00 83.07 C -ATOM 2560 CD LYS B 48 40.183 19.882 33.598 1.00 94.92 C -ATOM 2561 CE LYS B 48 40.868 19.416 32.308 1.00100.00 C -ATOM 2562 NZ LYS B 48 40.310 18.126 31.766 1.00 99.97 N -ATOM 2563 N VAL B 49 39.227 24.894 37.022 1.00 55.18 N -ATOM 2564 CA VAL B 49 38.385 25.468 38.065 1.00 53.29 C -ATOM 2565 C VAL B 49 37.027 25.891 37.520 1.00 51.91 C -ATOM 2566 O VAL B 49 36.946 26.698 36.593 1.00 54.76 O -ATOM 2567 CB VAL B 49 39.054 26.694 38.703 1.00 53.90 C -ATOM 2568 CG1 VAL B 49 38.234 27.175 39.888 1.00 56.31 C -ATOM 2569 CG2 VAL B 49 40.476 26.361 39.124 1.00 55.02 C -ATOM 2570 N GLU B 50 35.957 25.376 38.110 1.00 48.23 N -ATOM 2571 CA GLU B 50 34.628 25.731 37.646 1.00 46.14 C -ATOM 2572 C GLU B 50 34.086 26.888 38.462 1.00 40.98 C -ATOM 2573 O GLU B 50 34.786 27.403 39.329 1.00 38.87 O -ATOM 2574 CB GLU B 50 33.705 24.513 37.668 1.00 51.88 C -ATOM 2575 CG GLU B 50 34.288 23.330 36.871 1.00 63.64 C -ATOM 2576 CD GLU B 50 33.262 22.291 36.423 1.00 68.69 C -ATOM 2577 OE1 GLU B 50 32.219 22.120 37.096 1.00 71.08 O -ATOM 2578 OE2 GLU B 50 33.513 21.634 35.384 1.00 73.53 O -ATOM 2579 N HIS B 51 32.894 27.368 38.117 1.00 36.64 N -ATOM 2580 CA HIS B 51 32.291 28.479 38.843 1.00 36.51 C -ATOM 2581 C HIS B 51 30.794 28.590 38.627 1.00 32.23 C -ATOM 2582 O HIS B 51 30.256 28.018 37.687 1.00 35.09 O -ATOM 2583 CB HIS B 51 32.991 29.808 38.530 1.00 41.46 C -ATOM 2584 CG HIS B 51 32.830 30.280 37.114 1.00 54.37 C -ATOM 2585 ND1 HIS B 51 31.722 30.979 36.683 1.00 59.18 N -ATOM 2586 CD2 HIS B 51 33.672 30.225 36.055 1.00 54.77 C -ATOM 2587 CE1 HIS B 51 31.890 31.342 35.425 1.00 56.49 C -ATOM 2588 NE2 HIS B 51 33.066 30.897 35.021 1.00 57.34 N -ATOM 2589 N SER B 52 30.125 29.303 39.525 1.00 32.02 N -ATOM 2590 CA SER B 52 28.680 29.478 39.461 1.00 32.93 C -ATOM 2591 C SER B 52 28.286 30.524 38.426 1.00 35.74 C -ATOM 2592 O SER B 52 29.150 31.206 37.869 1.00 41.08 O -ATOM 2593 CB SER B 52 28.117 29.852 40.843 1.00 31.52 C -ATOM 2594 OG SER B 52 28.695 31.044 41.357 1.00 37.27 O -ATOM 2595 N ASP B 53 26.987 30.637 38.154 1.00 33.39 N -ATOM 2596 CA ASP B 53 26.491 31.602 37.183 1.00 27.27 C -ATOM 2597 C ASP B 53 26.237 32.897 37.923 1.00 22.47 C -ATOM 2598 O ASP B 53 25.535 32.905 38.932 1.00 25.36 O -ATOM 2599 CB ASP B 53 25.207 31.088 36.519 1.00 31.43 C -ATOM 2600 CG ASP B 53 25.423 29.793 35.730 1.00 33.02 C -ATOM 2601 OD1 ASP B 53 26.557 29.544 35.244 1.00 34.92 O -ATOM 2602 OD2 ASP B 53 24.450 29.024 35.601 1.00 30.41 O -ATOM 2603 N LEU B 54 26.840 33.974 37.435 1.00 20.33 N -ATOM 2604 CA LEU B 54 26.712 35.282 38.057 1.00 18.60 C -ATOM 2605 C LEU B 54 25.303 35.636 38.461 1.00 22.25 C -ATOM 2606 O LEU B 54 24.363 35.454 37.692 1.00 27.18 O -ATOM 2607 CB LEU B 54 27.240 36.381 37.142 1.00 19.89 C -ATOM 2608 CG LEU B 54 27.194 37.774 37.774 1.00 23.08 C -ATOM 2609 CD1 LEU B 54 28.361 37.944 38.750 1.00 23.42 C -ATOM 2610 CD2 LEU B 54 27.267 38.828 36.687 1.00 24.24 C -ATOM 2611 N SER B 55 25.163 36.094 39.701 1.00 24.46 N -ATOM 2612 CA SER B 55 23.884 36.521 40.231 1.00 18.92 C -ATOM 2613 C SER B 55 24.140 37.637 41.220 1.00 20.78 C -ATOM 2614 O SER B 55 25.276 38.084 41.375 1.00 19.71 O -ATOM 2615 CB SER B 55 23.138 35.384 40.898 1.00 18.69 C -ATOM 2616 OG SER B 55 21.800 35.785 41.156 1.00 23.66 O -ATOM 2617 N PHE B 56 23.094 38.089 41.898 1.00 20.50 N -ATOM 2618 CA PHE B 56 23.256 39.184 42.831 1.00 21.17 C -ATOM 2619 C PHE B 56 22.257 39.172 43.971 1.00 31.19 C -ATOM 2620 O PHE B 56 21.208 38.520 43.889 1.00 31.08 O -ATOM 2621 CB PHE B 56 23.196 40.520 42.085 1.00 21.87 C -ATOM 2622 CG PHE B 56 22.018 40.651 41.159 1.00 19.90 C -ATOM 2623 CD1 PHE B 56 20.810 41.142 41.620 1.00 18.08 C -ATOM 2624 CD2 PHE B 56 22.127 40.297 39.814 1.00 21.32 C -ATOM 2625 CE1 PHE B 56 19.731 41.276 40.758 1.00 25.83 C -ATOM 2626 CE2 PHE B 56 21.062 40.428 38.952 1.00 9.89 C -ATOM 2627 CZ PHE B 56 19.862 40.920 39.419 1.00 21.06 C -ATOM 2628 N SER B 57 22.616 39.886 45.039 1.00 34.56 N -ATOM 2629 CA SER B 57 21.806 40.001 46.250 1.00 38.61 C -ATOM 2630 C SER B 57 20.880 41.228 46.210 1.00 38.73 C -ATOM 2631 O SER B 57 21.013 42.092 45.342 1.00 41.04 O -ATOM 2632 CB SER B 57 22.733 40.108 47.463 1.00 41.06 C -ATOM 2633 OG SER B 57 23.882 39.283 47.310 1.00 46.25 O -ATOM 2634 N LYS B 58 20.005 41.335 47.208 1.00 35.94 N -ATOM 2635 CA LYS B 58 19.053 42.438 47.300 1.00 30.93 C -ATOM 2636 C LYS B 58 19.599 43.843 47.114 1.00 27.43 C -ATOM 2637 O LYS B 58 18.871 44.732 46.695 1.00 29.35 O -ATOM 2638 N ASP B 59 20.872 44.051 47.425 1.00 24.27 N -ATOM 2639 CA ASP B 59 21.488 45.366 47.275 1.00 26.55 C -ATOM 2640 C ASP B 59 22.250 45.530 45.943 1.00 29.77 C -ATOM 2641 O ASP B 59 23.073 46.443 45.784 1.00 26.70 O -ATOM 2642 CB ASP B 59 22.403 45.658 48.468 1.00 22.61 C -ATOM 2643 CG ASP B 59 23.498 44.627 48.638 1.00 28.75 C -ATOM 2644 OD1 ASP B 59 23.345 43.500 48.121 1.00 30.09 O -ATOM 2645 OD2 ASP B 59 24.518 44.946 49.294 1.00 34.85 O -ATOM 2646 N TRP B 60 21.984 44.610 45.015 1.00 27.50 N -ATOM 2647 CA TRP B 60 22.573 44.578 43.666 1.00 25.88 C -ATOM 2648 C TRP B 60 24.023 44.143 43.575 1.00 22.79 C -ATOM 2649 O TRP B 60 24.595 44.154 42.488 1.00 23.65 O -ATOM 2650 CB TRP B 60 22.383 45.904 42.894 1.00 21.04 C -ATOM 2651 CG TRP B 60 20.967 46.436 42.852 1.00 19.54 C -ATOM 2652 CD1 TRP B 60 20.498 47.534 43.510 1.00 24.22 C -ATOM 2653 CD2 TRP B 60 19.842 45.887 42.138 1.00 15.90 C -ATOM 2654 NE1 TRP B 60 19.159 47.699 43.263 1.00 23.55 N -ATOM 2655 CE2 TRP B 60 18.731 46.706 42.420 1.00 21.14 C -ATOM 2656 CE3 TRP B 60 19.667 44.784 41.299 1.00 20.84 C -ATOM 2657 CZ2 TRP B 60 17.456 46.455 41.889 1.00 24.60 C -ATOM 2658 CZ3 TRP B 60 18.401 44.532 40.776 1.00 11.81 C -ATOM 2659 CH2 TRP B 60 17.316 45.365 41.075 1.00 22.74 C -ATOM 2660 N SER B 61 24.627 43.751 44.689 1.00 25.32 N -ATOM 2661 CA SER B 61 26.020 43.308 44.637 1.00 24.11 C -ATOM 2662 C SER B 61 26.041 41.897 44.081 1.00 16.46 C -ATOM 2663 O SER B 61 25.047 41.195 44.173 1.00 13.23 O -ATOM 2664 CB SER B 61 26.689 43.384 46.010 1.00 30.27 C -ATOM 2665 OG SER B 61 25.731 43.490 47.049 1.00 31.79 O -ATOM 2666 N PHE B 62 27.181 41.497 43.529 1.00 17.43 N -ATOM 2667 CA PHE B 62 27.352 40.198 42.890 1.00 19.28 C -ATOM 2668 C PHE B 62 28.001 39.159 43.758 1.00 18.18 C -ATOM 2669 O PHE B 62 28.716 39.492 44.687 1.00 21.26 O -ATOM 2670 CB PHE B 62 28.223 40.361 41.621 1.00 21.33 C -ATOM 2671 CG PHE B 62 27.629 41.281 40.602 1.00 22.70 C -ATOM 2672 CD1 PHE B 62 26.489 40.900 39.887 1.00 23.03 C -ATOM 2673 CD2 PHE B 62 28.136 42.571 40.431 1.00 24.28 C -ATOM 2674 CE1 PHE B 62 25.855 41.799 39.025 1.00 20.54 C -ATOM 2675 CE2 PHE B 62 27.510 43.486 39.570 1.00 21.87 C -ATOM 2676 CZ PHE B 62 26.364 43.098 38.869 1.00 24.46 C -ATOM 2677 N TYR B 63 27.779 37.893 43.426 1.00 18.59 N -ATOM 2678 CA TYR B 63 28.417 36.798 44.145 1.00 21.52 C -ATOM 2679 C TYR B 63 28.660 35.609 43.205 1.00 17.17 C -ATOM 2680 O TYR B 63 27.805 35.269 42.395 1.00 14.46 O -ATOM 2681 CB TYR B 63 27.633 36.414 45.421 1.00 21.39 C -ATOM 2682 CG TYR B 63 26.257 35.870 45.189 1.00 15.36 C -ATOM 2683 CD1 TYR B 63 26.071 34.550 44.773 1.00 17.28 C -ATOM 2684 CD2 TYR B 63 25.141 36.662 45.374 1.00 10.27 C -ATOM 2685 CE1 TYR B 63 24.796 34.027 44.543 1.00 8.24 C -ATOM 2686 CE2 TYR B 63 23.855 36.146 45.148 1.00 17.39 C -ATOM 2687 CZ TYR B 63 23.698 34.823 44.728 1.00 14.05 C -ATOM 2688 OH TYR B 63 22.437 34.306 44.490 1.00 21.99 O -ATOM 2689 N LEU B 64 29.842 35.006 43.320 1.00 20.20 N -ATOM 2690 CA LEU B 64 30.273 33.877 42.493 1.00 22.96 C -ATOM 2691 C LEU B 64 30.943 32.792 43.328 1.00 19.31 C -ATOM 2692 O LEU B 64 31.627 33.100 44.303 1.00 19.72 O -ATOM 2693 CB LEU B 64 31.317 34.359 41.463 1.00 23.47 C -ATOM 2694 CG LEU B 64 30.852 35.205 40.280 1.00 21.46 C -ATOM 2695 CD1 LEU B 64 32.033 35.750 39.518 1.00 15.92 C -ATOM 2696 CD2 LEU B 64 29.984 34.348 39.398 1.00 19.28 C -ATOM 2697 N LEU B 65 30.816 31.540 42.899 1.00 15.50 N -ATOM 2698 CA LEU B 65 31.449 30.439 43.600 1.00 17.49 C -ATOM 2699 C LEU B 65 32.303 29.614 42.659 1.00 20.89 C -ATOM 2700 O LEU B 65 31.797 29.015 41.724 1.00 23.06 O -ATOM 2701 CB LEU B 65 30.426 29.530 44.275 1.00 13.69 C -ATOM 2702 CG LEU B 65 31.005 28.271 44.925 1.00 13.60 C -ATOM 2703 CD1 LEU B 65 31.947 28.617 46.042 1.00 17.54 C -ATOM 2704 CD2 LEU B 65 29.875 27.432 45.438 1.00 18.52 C -ATOM 2705 N TYR B 66 33.603 29.608 42.916 1.00 26.59 N -ATOM 2706 CA TYR B 66 34.573 28.849 42.150 1.00 27.89 C -ATOM 2707 C TYR B 66 34.902 27.575 42.922 1.00 30.62 C -ATOM 2708 O TYR B 66 35.272 27.616 44.096 1.00 32.53 O -ATOM 2709 CB TYR B 66 35.844 29.666 41.960 1.00 29.58 C -ATOM 2710 CG TYR B 66 35.702 30.762 40.954 1.00 32.22 C -ATOM 2711 CD1 TYR B 66 35.093 31.968 41.286 1.00 34.17 C -ATOM 2712 CD2 TYR B 66 36.157 30.586 39.658 1.00 33.02 C -ATOM 2713 CE1 TYR B 66 34.939 32.974 40.340 1.00 41.68 C -ATOM 2714 CE2 TYR B 66 36.015 31.575 38.709 1.00 40.43 C -ATOM 2715 CZ TYR B 66 35.404 32.766 39.046 1.00 40.96 C -ATOM 2716 OH TYR B 66 35.254 33.728 38.073 1.00 41.76 O -ATOM 2717 N TYR B 67 34.791 26.444 42.252 1.00 34.46 N -ATOM 2718 CA TYR B 67 35.070 25.183 42.898 1.00 35.83 C -ATOM 2719 C TYR B 67 35.886 24.227 42.041 1.00 35.87 C -ATOM 2720 O TYR B 67 35.939 24.358 40.817 1.00 34.04 O -ATOM 2721 CB TYR B 67 33.768 24.534 43.333 1.00 37.34 C -ATOM 2722 CG TYR B 67 32.768 24.315 42.228 1.00 35.67 C -ATOM 2723 CD1 TYR B 67 31.989 25.365 41.751 1.00 34.17 C -ATOM 2724 CD2 TYR B 67 32.544 23.041 41.717 1.00 38.41 C -ATOM 2725 CE1 TYR B 67 31.009 25.151 40.803 1.00 38.03 C -ATOM 2726 CE2 TYR B 67 31.564 22.813 40.769 1.00 40.41 C -ATOM 2727 CZ TYR B 67 30.798 23.870 40.320 1.00 39.60 C -ATOM 2728 OH TYR B 67 29.802 23.636 39.403 1.00 52.95 O -ATOM 2729 N THR B 68 36.541 23.287 42.713 1.00 38.21 N -ATOM 2730 CA THR B 68 37.374 22.279 42.078 1.00 38.65 C -ATOM 2731 C THR B 68 37.536 21.126 43.053 1.00 41.92 C -ATOM 2732 O THR B 68 37.557 21.344 44.266 1.00 33.98 O -ATOM 2733 CB THR B 68 38.771 22.830 41.743 1.00 36.43 C -ATOM 2734 OG1 THR B 68 39.505 21.832 41.032 1.00 45.39 O -ATOM 2735 CG2 THR B 68 39.537 23.190 42.997 1.00 35.14 C -ATOM 2736 N GLU B 69 37.577 19.902 42.528 1.00 51.80 N -ATOM 2737 CA GLU B 69 37.764 18.711 43.365 1.00 60.82 C -ATOM 2738 C GLU B 69 39.185 18.761 43.927 1.00 61.60 C -ATOM 2739 O GLU B 69 40.064 19.397 43.335 1.00 63.53 O -ATOM 2740 CB GLU B 69 37.610 17.414 42.551 1.00 67.02 C -ATOM 2741 CG GLU B 69 36.322 17.302 41.744 1.00 77.41 C -ATOM 2742 CD GLU B 69 35.992 15.870 41.316 1.00 83.86 C -ATOM 2743 OE1 GLU B 69 36.890 15.172 40.788 1.00 88.49 O -ATOM 2744 OE2 GLU B 69 34.825 15.447 41.502 1.00 83.49 O -ATOM 2745 N PHE B 70 39.400 18.121 45.075 1.00 61.20 N -ATOM 2746 CA PHE B 70 40.721 18.073 45.697 1.00 57.62 C -ATOM 2747 C PHE B 70 40.794 17.191 46.930 1.00 59.42 C -ATOM 2748 O PHE B 70 39.831 17.052 47.694 1.00 57.93 O -ATOM 2749 CB PHE B 70 41.286 19.480 45.992 1.00 50.93 C -ATOM 2750 CG PHE B 70 41.017 20.002 47.392 1.00 43.98 C -ATOM 2751 CD1 PHE B 70 39.723 20.107 47.895 1.00 41.02 C -ATOM 2752 CD2 PHE B 70 42.066 20.475 48.175 1.00 38.95 C -ATOM 2753 CE1 PHE B 70 39.487 20.685 49.156 1.00 37.86 C -ATOM 2754 CE2 PHE B 70 41.832 21.053 49.435 1.00 33.39 C -ATOM 2755 CZ PHE B 70 40.544 21.159 49.919 1.00 28.81 C -ATOM 2756 N THR B 71 41.949 16.560 47.078 1.00 60.86 N -ATOM 2757 CA THR B 71 42.222 15.692 48.202 1.00 56.93 C -ATOM 2758 C THR B 71 43.177 16.497 49.066 1.00 54.13 C -ATOM 2759 O THR B 71 44.331 16.742 48.674 1.00 47.46 O -ATOM 2760 CB THR B 71 42.871 14.365 47.739 1.00 56.15 C -ATOM 2761 OG1 THR B 71 41.894 13.571 47.054 1.00 50.29 O -ATOM 2762 CG2 THR B 71 43.402 13.588 48.915 1.00 60.23 C -ATOM 2763 N PRO B 72 42.670 17.000 50.209 1.00 52.80 N -ATOM 2764 CA PRO B 72 43.438 17.801 51.167 1.00 50.98 C -ATOM 2765 C PRO B 72 44.589 16.948 51.666 1.00 55.43 C -ATOM 2766 O PRO B 72 44.465 15.726 51.792 1.00 57.17 O -ATOM 2767 CB PRO B 72 42.429 18.063 52.286 1.00 52.34 C -ATOM 2768 CG PRO B 72 41.083 17.883 51.634 1.00 52.77 C -ATOM 2769 CD PRO B 72 41.316 16.722 50.720 1.00 51.46 C -ATOM 2770 N THR B 73 45.697 17.584 51.995 1.00 58.77 N -ATOM 2771 CA THR B 73 46.858 16.843 52.452 1.00 65.02 C -ATOM 2772 C THR B 73 47.544 17.642 53.557 1.00 67.84 C -ATOM 2773 O THR B 73 47.399 18.864 53.611 1.00 74.68 O -ATOM 2774 CB THR B 73 47.804 16.573 51.245 1.00 65.52 C -ATOM 2775 OG1 THR B 73 47.340 15.431 50.513 1.00 71.05 O -ATOM 2776 CG2 THR B 73 49.205 16.332 51.684 1.00 66.16 C -ATOM 2777 N GLU B 74 48.225 16.961 54.477 1.00 65.57 N -ATOM 2778 CA GLU B 74 48.907 17.676 55.544 1.00 63.98 C -ATOM 2779 C GLU B 74 49.978 18.597 54.982 1.00 65.71 C -ATOM 2780 O GLU B 74 50.238 19.680 55.508 1.00 61.84 O -ATOM 2781 N LYS B 75 50.562 18.175 53.867 1.00 69.01 N -ATOM 2782 CA LYS B 75 51.625 18.929 53.217 1.00 72.79 C -ATOM 2783 C LYS B 75 51.280 19.922 52.093 1.00 73.03 C -ATOM 2784 O LYS B 75 52.082 20.809 51.809 1.00 76.68 O -ATOM 2785 CB LYS B 75 52.737 17.971 52.764 1.00 75.63 C -ATOM 2786 CG LYS B 75 52.246 16.734 52.040 1.00 80.19 C -ATOM 2787 CD LYS B 75 52.819 15.458 52.642 1.00 89.39 C -ATOM 2788 CE LYS B 75 52.012 14.218 52.244 1.00 93.87 C -ATOM 2789 NZ LYS B 75 51.893 14.007 50.777 1.00 91.81 N -ATOM 2790 N ASP B 76 50.104 19.814 51.473 1.00 69.79 N -ATOM 2791 CA ASP B 76 49.744 20.738 50.385 1.00 65.32 C -ATOM 2792 C ASP B 76 49.016 22.017 50.814 1.00 63.20 C -ATOM 2793 O ASP B 76 48.010 21.968 51.525 1.00 61.62 O -ATOM 2794 CB ASP B 76 48.941 20.018 49.305 1.00 65.26 C -ATOM 2795 CG ASP B 76 49.780 19.043 48.513 1.00 66.78 C -ATOM 2796 OD1 ASP B 76 50.946 19.381 48.194 1.00 66.60 O -ATOM 2797 OD2 ASP B 76 49.269 17.942 48.206 1.00 68.49 O -ATOM 2798 N GLU B 77 49.503 23.159 50.338 1.00 60.38 N -ATOM 2799 CA GLU B 77 48.913 24.448 50.683 1.00 58.09 C -ATOM 2800 C GLU B 77 48.002 24.976 49.583 1.00 53.84 C -ATOM 2801 O GLU B 77 48.438 25.145 48.452 1.00 56.91 O -ATOM 2802 CB GLU B 77 50.020 25.462 50.951 1.00 61.86 C -ATOM 2803 CG GLU B 77 51.006 25.038 52.024 1.00 76.33 C -ATOM 2804 CD GLU B 77 52.130 26.044 52.205 1.00 86.64 C -ATOM 2805 OE1 GLU B 77 51.873 27.122 52.797 1.00 89.03 O -ATOM 2806 OE2 GLU B 77 53.266 25.761 51.749 1.00 90.23 O -ATOM 2807 N TYR B 78 46.752 25.279 49.919 1.00 47.88 N -ATOM 2808 CA TYR B 78 45.795 25.796 48.943 1.00 41.16 C -ATOM 2809 C TYR B 78 45.441 27.264 49.173 1.00 42.73 C -ATOM 2810 O TYR B 78 45.423 27.725 50.323 1.00 46.70 O -ATOM 2811 CB TYR B 78 44.539 24.943 48.973 1.00 37.63 C -ATOM 2812 CG TYR B 78 44.778 23.559 48.457 1.00 36.87 C -ATOM 2813 CD1 TYR B 78 44.724 23.293 47.088 1.00 36.60 C -ATOM 2814 CD2 TYR B 78 45.085 22.519 49.322 1.00 31.58 C -ATOM 2815 CE1 TYR B 78 44.970 22.023 46.594 1.00 37.38 C -ATOM 2816 CE2 TYR B 78 45.334 21.241 48.843 1.00 34.51 C -ATOM 2817 CZ TYR B 78 45.275 20.995 47.475 1.00 40.22 C -ATOM 2818 OH TYR B 78 45.497 19.721 46.986 1.00 39.31 O -ATOM 2819 N ALA B 79 45.149 27.992 48.089 1.00 40.22 N -ATOM 2820 CA ALA B 79 44.793 29.417 48.171 1.00 36.39 C -ATOM 2821 C ALA B 79 43.767 29.869 47.139 1.00 34.17 C -ATOM 2822 O ALA B 79 43.310 29.079 46.317 1.00 30.47 O -ATOM 2823 CB ALA B 79 46.037 30.280 48.044 1.00 34.78 C -ATOM 2824 N CYS B 80 43.394 31.144 47.213 1.00 32.99 N -ATOM 2825 CA CYS B 80 42.457 31.742 46.273 1.00 31.27 C -ATOM 2826 C CYS B 80 42.923 33.157 45.926 1.00 34.62 C -ATOM 2827 O CYS B 80 42.994 34.028 46.798 1.00 30.59 O -ATOM 2828 CB CYS B 80 41.019 31.773 46.817 1.00 29.90 C -ATOM 2829 SG CYS B 80 39.841 32.350 45.544 1.00 40.42 S -ATOM 2830 N ARG B 81 43.347 33.347 44.677 1.00 35.68 N -ATOM 2831 CA ARG B 81 43.789 34.654 44.217 1.00 37.63 C -ATOM 2832 C ARG B 81 42.625 35.382 43.540 1.00 41.76 C -ATOM 2833 O ARG B 81 42.030 34.883 42.584 1.00 39.31 O -ATOM 2834 CB ARG B 81 44.971 34.533 43.261 1.00 33.29 C -ATOM 2835 CG ARG B 81 45.515 35.883 42.794 1.00 34.30 C -ATOM 2836 CD ARG B 81 46.810 35.718 41.996 1.00 40.91 C -ATOM 2837 NE ARG B 81 46.655 34.825 40.847 1.00 41.80 N -ATOM 2838 CZ ARG B 81 47.509 33.857 40.534 1.00 38.71 C -ATOM 2839 NH1 ARG B 81 48.587 33.654 41.282 1.00 35.76 N -ATOM 2840 NH2 ARG B 81 47.280 33.088 39.477 1.00 43.90 N -ATOM 2841 N VAL B 82 42.304 36.559 44.061 1.00 42.15 N -ATOM 2842 CA VAL B 82 41.216 37.364 43.551 1.00 37.63 C -ATOM 2843 C VAL B 82 41.738 38.716 43.099 1.00 39.10 C -ATOM 2844 O VAL B 82 42.674 39.256 43.685 1.00 35.60 O -ATOM 2845 CB VAL B 82 40.149 37.556 44.644 1.00 35.12 C -ATOM 2846 CG1 VAL B 82 39.196 38.682 44.298 1.00 38.68 C -ATOM 2847 CG2 VAL B 82 39.386 36.271 44.829 1.00 35.25 C -ATOM 2848 N ASN B 83 41.174 39.218 42.006 1.00 40.08 N -ATOM 2849 CA ASN B 83 41.543 40.522 41.484 1.00 37.72 C -ATOM 2850 C ASN B 83 40.234 41.217 41.090 1.00 37.19 C -ATOM 2851 O ASN B 83 39.282 40.550 40.653 1.00 32.87 O -ATOM 2852 CB ASN B 83 42.502 40.398 40.304 1.00 38.78 C -ATOM 2853 CG ASN B 83 43.355 41.649 40.110 1.00 43.15 C -ATOM 2854 OD1 ASN B 83 43.373 42.551 40.953 1.00 45.44 O -ATOM 2855 ND2 ASN B 83 44.080 41.699 39.002 1.00 45.14 N -ATOM 2856 N HIS B 84 40.181 42.536 41.317 1.00 36.77 N -ATOM 2857 CA HIS B 84 39.013 43.390 41.057 1.00 35.62 C -ATOM 2858 C HIS B 84 39.494 44.856 41.035 1.00 40.15 C -ATOM 2859 O HIS B 84 40.482 45.189 41.677 1.00 42.44 O -ATOM 2860 CB HIS B 84 38.006 43.186 42.189 1.00 34.59 C -ATOM 2861 CG HIS B 84 36.650 43.776 41.936 1.00 31.67 C -ATOM 2862 ND1 HIS B 84 36.293 45.034 42.369 1.00 29.95 N -ATOM 2863 CD2 HIS B 84 35.534 43.234 41.396 1.00 33.31 C -ATOM 2864 CE1 HIS B 84 35.012 45.241 42.115 1.00 28.35 C -ATOM 2865 NE2 HIS B 84 34.528 44.163 41.526 1.00 31.04 N -ATOM 2866 N VAL B 85 38.772 45.739 40.348 1.00 43.48 N -ATOM 2867 CA VAL B 85 39.174 47.152 40.246 1.00 46.38 C -ATOM 2868 C VAL B 85 39.348 47.906 41.561 1.00 45.36 C -ATOM 2869 O VAL B 85 39.995 48.950 41.599 1.00 45.69 O -ATOM 2870 CB VAL B 85 38.227 47.985 39.309 1.00 48.73 C -ATOM 2871 CG1 VAL B 85 38.512 47.663 37.856 1.00 56.50 C -ATOM 2872 CG2 VAL B 85 36.758 47.712 39.620 1.00 44.65 C -ATOM 2873 N THR B 86 38.755 47.381 42.628 1.00 46.36 N -ATOM 2874 CA THR B 86 38.838 48.006 43.944 1.00 46.37 C -ATOM 2875 C THR B 86 40.176 47.657 44.590 1.00 48.01 C -ATOM 2876 O THR B 86 40.636 48.338 45.499 1.00 48.99 O -ATOM 2877 CB THR B 86 37.675 47.530 44.870 1.00 42.47 C -ATOM 2878 OG1 THR B 86 37.389 46.142 44.632 1.00 41.19 O -ATOM 2879 CG2 THR B 86 36.423 48.346 44.623 1.00 32.31 C -ATOM 2880 N LEU B 87 40.807 46.608 44.080 1.00 48.46 N -ATOM 2881 CA LEU B 87 42.065 46.125 44.608 1.00 49.70 C -ATOM 2882 C LEU B 87 43.295 46.631 43.852 1.00 56.26 C -ATOM 2883 O LEU B 87 43.455 46.387 42.655 1.00 54.91 O -ATOM 2884 CB LEU B 87 42.044 44.593 44.627 1.00 44.64 C -ATOM 2885 CG LEU B 87 40.878 43.957 45.389 1.00 33.51 C -ATOM 2886 CD1 LEU B 87 40.636 42.542 44.933 1.00 29.42 C -ATOM 2887 CD2 LEU B 87 41.163 43.996 46.859 1.00 32.67 C -ATOM 2888 N SER B 88 44.177 47.310 44.584 1.00 63.01 N -ATOM 2889 CA SER B 88 45.420 47.848 44.040 1.00 62.98 C -ATOM 2890 C SER B 88 46.388 46.710 43.681 1.00 63.01 C -ATOM 2891 O SER B 88 47.368 46.922 42.962 1.00 58.73 O -ATOM 2892 CB SER B 88 46.063 48.814 45.058 1.00 66.85 C -ATOM 2893 OG SER B 88 46.039 48.303 46.391 1.00 69.53 O -ATOM 2894 N GLN B 89 46.098 45.514 44.198 1.00 66.06 N -ATOM 2895 CA GLN B 89 46.899 44.305 43.980 1.00 67.07 C -ATOM 2896 C GLN B 89 45.996 43.084 44.213 1.00 63.87 C -ATOM 2897 O GLN B 89 45.008 43.175 44.941 1.00 67.42 O -ATOM 2898 CB GLN B 89 48.080 44.262 44.966 1.00 69.28 C -ATOM 2899 CG GLN B 89 47.677 44.154 46.442 1.00 76.95 C -ATOM 2900 CD GLN B 89 48.853 43.832 47.363 1.00 84.14 C -ATOM 2901 OE1 GLN B 89 50.001 43.706 46.919 1.00 84.90 O -ATOM 2902 NE2 GLN B 89 48.570 43.702 48.655 1.00 84.74 N -ATOM 2903 N PRO B 90 46.328 41.926 43.610 1.00 60.23 N -ATOM 2904 CA PRO B 90 45.514 40.716 43.788 1.00 61.33 C -ATOM 2905 C PRO B 90 45.465 40.250 45.255 1.00 66.37 C -ATOM 2906 O PRO B 90 46.502 40.059 45.900 1.00 69.80 O -ATOM 2907 CB PRO B 90 46.237 39.688 42.915 1.00 54.96 C -ATOM 2908 CG PRO B 90 46.920 40.515 41.888 1.00 55.56 C -ATOM 2909 CD PRO B 90 47.448 41.663 42.695 1.00 58.36 C -ATOM 2910 N LYS B 91 44.259 40.083 45.784 1.00 66.18 N -ATOM 2911 CA LYS B 91 44.082 39.631 47.158 1.00 62.84 C -ATOM 2912 C LYS B 91 44.291 38.115 47.182 1.00 59.01 C -ATOM 2913 O LYS B 91 43.670 37.375 46.425 1.00 55.19 O -ATOM 2914 CB LYS B 91 42.672 40.005 47.653 1.00 64.86 C -ATOM 2915 CG LYS B 91 42.385 39.773 49.139 1.00 65.90 C -ATOM 2916 CD LYS B 91 43.010 40.836 50.028 1.00 68.62 C -ATOM 2917 CE LYS B 91 42.666 40.591 51.492 1.00 69.39 C -ATOM 2918 NZ LYS B 91 43.600 41.300 52.424 1.00 72.64 N -ATOM 2919 N ILE B 92 45.229 37.669 48.002 1.00 58.39 N -ATOM 2920 CA ILE B 92 45.515 36.250 48.141 1.00 58.62 C -ATOM 2921 C ILE B 92 44.957 35.814 49.494 1.00 58.78 C -ATOM 2922 O ILE B 92 45.248 36.433 50.523 1.00 64.20 O -ATOM 2923 CB ILE B 92 47.024 35.977 48.147 1.00 59.43 C -ATOM 2924 CG1 ILE B 92 47.670 36.531 46.878 1.00 59.71 C -ATOM 2925 CG2 ILE B 92 47.277 34.470 48.276 1.00 59.94 C -ATOM 2926 CD1 ILE B 92 47.645 35.566 45.717 1.00 61.83 C -ATOM 2927 N VAL B 93 44.153 34.759 49.494 1.00 52.34 N -ATOM 2928 CA VAL B 93 43.570 34.256 50.721 1.00 46.08 C -ATOM 2929 C VAL B 93 43.931 32.786 50.841 1.00 45.85 C -ATOM 2930 O VAL B 93 43.628 32.005 49.943 1.00 42.51 O -ATOM 2931 CB VAL B 93 42.032 34.442 50.720 1.00 45.30 C -ATOM 2932 CG1 VAL B 93 41.408 33.740 51.914 1.00 47.19 C -ATOM 2933 CG2 VAL B 93 41.692 35.931 50.761 1.00 40.65 C -ATOM 2934 N LYS B 94 44.632 32.424 51.915 1.00 46.36 N -ATOM 2935 CA LYS B 94 45.021 31.037 52.118 1.00 44.46 C -ATOM 2936 C LYS B 94 43.894 30.255 52.760 1.00 42.25 C -ATOM 2937 O LYS B 94 43.056 30.813 53.467 1.00 41.32 O -ATOM 2938 CB LYS B 94 46.272 30.930 52.985 1.00 49.07 C -ATOM 2939 CG LYS B 94 47.537 31.534 52.383 1.00 55.18 C -ATOM 2940 CD LYS B 94 48.727 31.274 53.303 1.00 59.74 C -ATOM 2941 CE LYS B 94 49.879 32.244 53.068 1.00 60.54 C -ATOM 2942 NZ LYS B 94 51.013 32.037 54.027 1.00 61.83 N -ATOM 2943 N TRP B 95 43.860 28.961 52.481 1.00 41.15 N -ATOM 2944 CA TRP B 95 42.847 28.090 53.034 1.00 44.98 C -ATOM 2945 C TRP B 95 43.274 27.582 54.399 1.00 54.25 C -ATOM 2946 O TRP B 95 44.351 26.989 54.543 1.00 57.63 O -ATOM 2947 CB TRP B 95 42.634 26.894 52.128 1.00 38.30 C -ATOM 2948 CG TRP B 95 41.702 25.889 52.707 1.00 32.30 C -ATOM 2949 CD1 TRP B 95 40.401 26.097 53.078 1.00 24.84 C -ATOM 2950 CD2 TRP B 95 41.955 24.494 52.894 1.00 32.40 C -ATOM 2951 NE1 TRP B 95 39.826 24.906 53.460 1.00 30.16 N -ATOM 2952 CE2 TRP B 95 40.754 23.905 53.355 1.00 32.28 C -ATOM 2953 CE3 TRP B 95 43.081 23.676 52.706 1.00 34.62 C -ATOM 2954 CZ2 TRP B 95 40.646 22.528 53.629 1.00 34.26 C -ATOM 2955 CZ3 TRP B 95 42.969 22.304 52.980 1.00 32.92 C -ATOM 2956 CH2 TRP B 95 41.760 21.748 53.435 1.00 27.36 C -ATOM 2957 N ASP B 96 42.413 27.781 55.392 1.00 56.77 N -ATOM 2958 CA ASP B 96 42.684 27.316 56.743 1.00 55.52 C -ATOM 2959 C ASP B 96 41.530 26.390 57.044 1.00 56.41 C -ATOM 2960 O ASP B 96 40.391 26.839 57.102 1.00 59.40 O -ATOM 2961 CB ASP B 96 42.691 28.485 57.727 1.00 60.16 C -ATOM 2962 CG ASP B 96 42.894 28.037 59.168 1.00 65.86 C -ATOM 2963 OD1 ASP B 96 43.242 26.853 59.394 1.00 69.98 O -ATOM 2964 OD2 ASP B 96 42.702 28.873 60.081 1.00 69.88 O -ATOM 2965 N ARG B 97 41.823 25.109 57.259 1.00 56.09 N -ATOM 2966 CA ARG B 97 40.777 24.118 57.513 1.00 56.86 C -ATOM 2967 C ARG B 97 39.858 24.329 58.728 1.00 59.63 C -ATOM 2968 O ARG B 97 38.938 23.536 58.961 1.00 60.32 O -ATOM 2969 CB ARG B 97 41.372 22.712 57.509 1.00 54.38 C -ATOM 2970 CG ARG B 97 42.524 22.515 58.450 1.00 55.68 C -ATOM 2971 CD ARG B 97 42.914 21.055 58.480 1.00 55.45 C -ATOM 2972 NE ARG B 97 43.806 20.712 57.379 1.00 55.16 N -ATOM 2973 CZ ARG B 97 43.817 19.536 56.761 1.00 56.01 C -ATOM 2974 NH1 ARG B 97 42.967 18.581 57.124 1.00 56.18 N -ATOM 2975 NH2 ARG B 97 44.718 19.301 55.813 1.00 55.21 N -ATOM 2976 N ASP B 98 40.102 25.402 59.480 1.00 62.17 N -ATOM 2977 CA ASP B 98 39.305 25.758 60.662 1.00 61.89 C -ATOM 2978 C ASP B 98 38.404 26.983 60.386 1.00 58.46 C -ATOM 2979 O ASP B 98 37.798 27.547 61.304 1.00 55.59 O -ATOM 2980 CB ASP B 98 40.227 26.035 61.872 1.00 60.91 C -ATOM 2981 CG ASP B 98 41.123 24.842 62.229 1.00 59.41 C -ATOM 2982 OD1 ASP B 98 40.631 23.692 62.198 1.00 63.24 O -ATOM 2983 OD2 ASP B 98 42.315 25.053 62.551 1.00 49.32 O -ATOM 2984 N MET B 99 38.335 27.389 59.120 1.00 55.18 N -ATOM 2985 CA MET B 99 37.516 28.518 58.695 1.00 55.22 C -ATOM 2986 C MET B 99 36.655 28.124 57.495 1.00 57.44 C -ATOM 2987 O MET B 99 35.692 28.854 57.199 1.00 56.29 O -ATOM 2988 CB MET B 99 38.392 29.709 58.319 1.00 54.73 C -ATOM 2989 CG MET B 99 38.944 30.468 59.491 1.00 55.66 C -ATOM 2990 SD MET B 99 40.009 31.806 58.930 1.00 67.10 S -ATOM 2991 CE MET B 99 39.057 33.255 59.408 1.00 65.59 C -ATOM 2992 OXT MET B 99 36.930 27.079 56.865 1.00 63.11 O -TER 2993 MET B 99 -ATOM 2994 N LEU C 1 8.747 29.906 34.624 1.00 27.96 N -ATOM 2995 CA LEU C 1 8.526 30.468 33.267 1.00 28.73 C -ATOM 2996 C LEU C 1 8.849 31.957 33.325 1.00 27.50 C -ATOM 2997 O LEU C 1 8.493 32.617 34.289 1.00 29.89 O -ATOM 2998 CB LEU C 1 7.073 30.272 32.867 1.00 29.19 C -ATOM 2999 CG LEU C 1 6.788 30.392 31.380 1.00 27.52 C -ATOM 3000 CD1 LEU C 1 7.337 29.161 30.682 1.00 28.19 C -ATOM 3001 CD2 LEU C 1 5.285 30.511 31.156 1.00 27.18 C -ATOM 3002 N LEU C 2 9.594 32.454 32.346 1.00 26.72 N -ATOM 3003 CA LEU C 2 9.955 33.859 32.313 1.00 24.17 C -ATOM 3004 C LEU C 2 8.797 34.727 31.863 1.00 25.70 C -ATOM 3005 O LEU C 2 7.815 34.252 31.283 1.00 27.53 O -ATOM 3006 CB LEU C 2 11.115 34.120 31.354 1.00 19.35 C -ATOM 3007 CG LEU C 2 12.559 33.732 31.602 1.00 21.18 C -ATOM 3008 CD1 LEU C 2 12.866 32.531 30.798 1.00 27.30 C -ATOM 3009 CD2 LEU C 2 13.461 34.842 31.116 1.00 26.86 C -ATOM 3010 N PHE C 3 8.952 36.019 32.123 1.00 31.27 N -ATOM 3011 CA PHE C 3 7.992 37.045 31.738 1.00 30.86 C -ATOM 3012 C PHE C 3 8.092 37.130 30.215 1.00 28.94 C -ATOM 3013 O PHE C 3 9.177 36.981 29.646 1.00 26.80 O -ATOM 3014 CB PHE C 3 8.408 38.378 32.379 1.00 25.23 C -ATOM 3015 CG PHE C 3 7.573 39.553 31.962 1.00 15.06 C -ATOM 3016 CD1 PHE C 3 6.201 39.433 31.818 1.00 17.71 C -ATOM 3017 CD2 PHE C 3 8.159 40.795 31.776 1.00 13.97 C -ATOM 3018 CE1 PHE C 3 5.421 40.546 31.504 1.00 13.07 C -ATOM 3019 CE2 PHE C 3 7.393 41.916 31.463 1.00 13.40 C -ATOM 3020 CZ PHE C 3 6.025 41.795 31.327 1.00 9.56 C -ATOM 3021 N GLY C 4 6.976 37.389 29.559 1.00 27.95 N -ATOM 3022 CA GLY C 4 7.020 37.457 28.116 1.00 32.61 C -ATOM 3023 C GLY C 4 6.967 38.809 27.433 1.00 33.23 C -ATOM 3024 O GLY C 4 7.038 38.846 26.200 1.00 39.20 O -ATOM 3025 N TYR C 5 6.870 39.908 28.188 1.00 30.22 N -ATOM 3026 CA TYR C 5 6.764 41.232 27.566 1.00 23.52 C -ATOM 3027 C TYR C 5 7.662 42.332 28.079 1.00 23.22 C -ATOM 3028 O TYR C 5 7.173 43.374 28.529 1.00 28.19 O -ATOM 3029 CB TYR C 5 5.313 41.727 27.590 1.00 17.96 C -ATOM 3030 CG TYR C 5 4.348 40.707 27.038 1.00 17.80 C -ATOM 3031 CD1 TYR C 5 4.137 39.509 27.711 1.00 14.87 C -ATOM 3032 CD2 TYR C 5 3.713 40.895 25.819 1.00 12.75 C -ATOM 3033 CE1 TYR C 5 3.347 38.526 27.195 1.00 19.43 C -ATOM 3034 CE2 TYR C 5 2.908 39.908 25.292 1.00 15.01 C -ATOM 3035 CZ TYR C 5 2.740 38.721 25.994 1.00 17.70 C -ATOM 3036 OH TYR C 5 1.994 37.689 25.514 1.00 31.33 O -ATOM 3037 N PRO C 6 8.987 42.100 28.080 1.00 21.62 N -ATOM 3038 CA PRO C 6 9.892 43.156 28.556 1.00 20.31 C -ATOM 3039 C PRO C 6 9.883 44.311 27.542 1.00 23.22 C -ATOM 3040 O PRO C 6 9.742 44.083 26.343 1.00 35.12 O -ATOM 3041 CB PRO C 6 11.248 42.439 28.606 1.00 18.05 C -ATOM 3042 CG PRO C 6 11.117 41.348 27.548 1.00 8.09 C -ATOM 3043 CD PRO C 6 9.720 40.851 27.797 1.00 16.91 C -ATOM 3044 N VAL C 7 10.033 45.542 28.013 1.00 24.96 N -ATOM 3045 CA VAL C 7 10.010 46.709 27.139 1.00 21.69 C -ATOM 3046 C VAL C 7 11.235 47.545 27.393 1.00 21.29 C -ATOM 3047 O VAL C 7 11.759 47.538 28.492 1.00 31.32 O -ATOM 3048 CB VAL C 7 8.736 47.552 27.387 1.00 27.73 C -ATOM 3049 CG1 VAL C 7 8.817 48.903 26.664 1.00 35.39 C -ATOM 3050 CG2 VAL C 7 7.495 46.770 26.916 1.00 27.50 C -ATOM 3051 N TYR C 8 11.716 48.222 26.363 1.00 24.74 N -ATOM 3052 CA TYR C 8 12.897 49.069 26.472 1.00 30.44 C -ATOM 3053 C TYR C 8 12.655 50.211 27.465 1.00 33.78 C -ATOM 3054 O TYR C 8 11.530 50.713 27.573 1.00 33.54 O -ATOM 3055 CB TYR C 8 13.254 49.642 25.088 1.00 35.90 C -ATOM 3056 CG TYR C 8 13.536 48.595 24.024 1.00 39.76 C -ATOM 3057 CD1 TYR C 8 14.425 47.547 24.264 1.00 41.30 C -ATOM 3058 CD2 TYR C 8 12.926 48.662 22.778 1.00 38.67 C -ATOM 3059 CE1 TYR C 8 14.702 46.593 23.295 1.00 42.88 C -ATOM 3060 CE2 TYR C 8 13.196 47.710 21.791 1.00 44.72 C -ATOM 3061 CZ TYR C 8 14.089 46.677 22.053 1.00 47.03 C -ATOM 3062 OH TYR C 8 14.395 45.754 21.064 1.00 44.11 O -ATOM 3063 N VAL C 9 13.699 50.593 28.207 1.00 33.31 N -ATOM 3064 CA VAL C 9 13.606 51.680 29.177 1.00 30.25 C -ATOM 3065 C VAL C 9 13.748 53.015 28.468 1.00 37.94 C -ATOM 3066 O VAL C 9 13.333 54.025 29.062 1.00 47.08 O -ATOM 3067 CB VAL C 9 14.710 51.618 30.267 1.00 26.33 C -ATOM 3068 CG1 VAL C 9 14.662 50.307 31.013 1.00 30.08 C -ATOM 3069 CG2 VAL C 9 16.073 51.872 29.674 1.00 11.60 C -ATOM 3070 OXT VAL C 9 14.315 53.043 27.354 1.00 42.75 O -TER 3071 VAL C 9 -ATOM 3072 N GLN D 1 1.873 23.695 21.102 1.00 54.14 N -ATOM 3073 CA GLN D 1 1.149 24.990 21.258 1.00 56.06 C -ATOM 3074 C GLN D 1 0.037 25.014 20.227 1.00 56.05 C -ATOM 3075 O GLN D 1 0.201 25.597 19.159 1.00 64.80 O -ATOM 3076 CB GLN D 1 2.107 26.154 21.009 1.00 53.77 C -ATOM 3077 CG GLN D 1 3.380 26.068 21.833 1.00 64.69 C -ATOM 3078 CD GLN D 1 4.496 26.920 21.270 1.00 68.07 C -ATOM 3079 OE1 GLN D 1 4.253 28.015 20.774 1.00 66.79 O -ATOM 3080 NE2 GLN D 1 5.728 26.411 21.328 1.00 73.27 N -ATOM 3081 N GLN D 2 -1.065 24.333 20.527 1.00 50.10 N -ATOM 3082 CA GLN D 2 -2.197 24.255 19.610 1.00 47.53 C -ATOM 3083 C GLN D 2 -3.390 25.065 20.119 1.00 41.71 C -ATOM 3084 O GLN D 2 -3.625 25.152 21.322 1.00 41.34 O -ATOM 3085 CB GLN D 2 -2.607 22.786 19.423 1.00 52.88 C -ATOM 3086 CG GLN D 2 -3.291 22.453 18.091 1.00 66.32 C -ATOM 3087 CD GLN D 2 -2.307 22.144 16.948 1.00 73.83 C -ATOM 3088 OE1 GLN D 2 -1.092 22.348 17.069 1.00 77.55 O -ATOM 3089 NE2 GLN D 2 -2.839 21.648 15.833 1.00 76.11 N -ATOM 3090 N VAL D 3 -4.086 25.722 19.200 1.00 38.13 N -ATOM 3091 CA VAL D 3 -5.275 26.502 19.528 1.00 33.35 C -ATOM 3092 C VAL D 3 -6.327 25.877 18.636 1.00 36.11 C -ATOM 3093 O VAL D 3 -6.214 25.917 17.417 1.00 37.78 O -ATOM 3094 CB VAL D 3 -5.137 27.987 19.159 1.00 26.16 C -ATOM 3095 CG1 VAL D 3 -6.434 28.718 19.512 1.00 21.62 C -ATOM 3096 CG2 VAL D 3 -3.934 28.605 19.871 1.00 22.01 C -ATOM 3097 N LYS D 4 -7.309 25.230 19.238 1.00 41.68 N -ATOM 3098 CA LYS D 4 -8.321 24.562 18.457 1.00 45.99 C -ATOM 3099 C LYS D 4 -9.637 25.305 18.396 1.00 44.97 C -ATOM 3100 O LYS D 4 -10.232 25.607 19.420 1.00 47.98 O -ATOM 3101 CB LYS D 4 -8.524 23.128 18.976 1.00 43.65 C -ATOM 3102 N GLN D 5 -10.053 25.657 17.188 1.00 50.42 N -ATOM 3103 CA GLN D 5 -11.338 26.317 16.983 1.00 56.58 C -ATOM 3104 C GLN D 5 -12.208 25.327 16.217 1.00 62.50 C -ATOM 3105 O GLN D 5 -12.062 25.165 15.004 1.00 64.40 O -ATOM 3106 CB GLN D 5 -11.200 27.588 16.150 1.00 51.37 C -ATOM 3107 CG GLN D 5 -10.322 28.648 16.739 1.00 43.70 C -ATOM 3108 CD GLN D 5 -10.193 29.825 15.822 1.00 36.20 C -ATOM 3109 OE1 GLN D 5 -11.097 30.638 15.716 1.00 38.03 O -ATOM 3110 NE2 GLN D 5 -9.063 29.924 15.146 1.00 33.54 N -ATOM 3111 N ASN D 6 -13.030 24.579 16.941 1.00 69.45 N -ATOM 3112 CA ASN D 6 -13.931 23.629 16.303 1.00 72.28 C -ATOM 3113 C ASN D 6 -15.020 24.487 15.679 1.00 73.29 C -ATOM 3114 O ASN D 6 -15.052 25.701 15.899 1.00 79.35 O -ATOM 3115 CB ASN D 6 -14.544 22.690 17.340 1.00 79.21 C -ATOM 3116 CG ASN D 6 -13.608 21.564 17.741 1.00 83.12 C -ATOM 3117 OD1 ASN D 6 -13.931 20.387 17.564 1.00 87.22 O -ATOM 3118 ND2 ASN D 6 -12.450 21.913 18.291 1.00 81.04 N -ATOM 3119 N SER D 7 -15.950 23.860 14.971 1.00 68.63 N -ATOM 3120 CA SER D 7 -17.028 24.600 14.325 1.00 68.89 C -ATOM 3121 C SER D 7 -16.459 25.599 13.319 1.00 65.65 C -ATOM 3122 O SER D 7 -16.195 26.759 13.652 1.00 66.27 O -ATOM 3123 CB SER D 7 -17.901 25.333 15.356 1.00 69.15 C -ATOM 3124 OG SER D 7 -18.576 24.416 16.197 1.00 71.03 O -ATOM 3125 N PRO D 8 -16.262 25.146 12.071 1.00 60.96 N -ATOM 3126 CA PRO D 8 -15.730 25.920 10.947 1.00 56.06 C -ATOM 3127 C PRO D 8 -16.667 27.045 10.496 1.00 55.13 C -ATOM 3128 O PRO D 8 -16.212 28.092 10.044 1.00 54.64 O -ATOM 3129 CB PRO D 8 -15.605 24.870 9.848 1.00 55.92 C -ATOM 3130 CG PRO D 8 -15.506 23.566 10.606 1.00 58.17 C -ATOM 3131 CD PRO D 8 -16.507 23.750 11.673 1.00 57.11 C -ATOM 3132 N SER D 9 -17.972 26.814 10.613 1.00 57.85 N -ATOM 3133 CA SER D 9 -18.976 27.784 10.181 1.00 61.32 C -ATOM 3134 C SER D 9 -19.978 28.195 11.255 1.00 59.96 C -ATOM 3135 O SER D 9 -20.176 27.484 12.244 1.00 62.72 O -ATOM 3136 CB SER D 9 -19.750 27.203 8.996 1.00 65.73 C -ATOM 3137 OG SER D 9 -20.403 25.994 9.364 1.00 75.51 O -ATOM 3138 N LEU D 10 -20.674 29.300 10.992 1.00 57.61 N -ATOM 3139 CA LEU D 10 -21.683 29.824 11.899 1.00 53.79 C -ATOM 3140 C LEU D 10 -22.508 30.940 11.256 1.00 52.11 C -ATOM 3141 O LEU D 10 -21.964 31.961 10.835 1.00 48.34 O -ATOM 3142 CB LEU D 10 -21.024 30.361 13.169 1.00 56.41 C -ATOM 3143 CG LEU D 10 -21.995 30.791 14.267 1.00 54.90 C -ATOM 3144 CD1 LEU D 10 -22.678 29.563 14.858 1.00 56.46 C -ATOM 3145 CD2 LEU D 10 -21.251 31.559 15.337 1.00 55.54 C -ATOM 3146 N SER D 11 -23.820 30.737 11.187 1.00 50.29 N -ATOM 3147 CA SER D 11 -24.728 31.732 10.634 1.00 47.48 C -ATOM 3148 C SER D 11 -25.655 32.177 11.760 1.00 46.58 C -ATOM 3149 O SER D 11 -26.139 31.354 12.533 1.00 44.12 O -ATOM 3150 CB SER D 11 -25.563 31.138 9.495 1.00 55.46 C -ATOM 3151 OG SER D 11 -24.796 30.872 8.326 1.00 64.06 O -ATOM 3152 N VAL D 12 -25.902 33.478 11.848 1.00 46.70 N -ATOM 3153 CA VAL D 12 -26.770 34.042 12.877 1.00 47.37 C -ATOM 3154 C VAL D 12 -27.580 35.180 12.261 1.00 49.24 C -ATOM 3155 O VAL D 12 -27.012 36.067 11.614 1.00 48.13 O -ATOM 3156 CB VAL D 12 -25.952 34.608 14.061 1.00 48.96 C -ATOM 3157 CG1 VAL D 12 -25.476 33.489 14.965 1.00 50.82 C -ATOM 3158 CG2 VAL D 12 -24.759 35.405 13.545 1.00 51.19 C -ATOM 3159 N GLN D 13 -28.900 35.155 12.443 1.00 47.17 N -ATOM 3160 CA GLN D 13 -29.752 36.196 11.881 1.00 45.83 C -ATOM 3161 C GLN D 13 -29.295 37.535 12.410 1.00 43.33 C -ATOM 3162 O GLN D 13 -28.715 37.611 13.486 1.00 46.92 O -ATOM 3163 CB GLN D 13 -31.223 35.972 12.254 1.00 50.54 C -ATOM 3164 CG GLN D 13 -32.210 35.850 11.067 1.00 57.39 C -ATOM 3165 CD GLN D 13 -31.578 36.125 9.711 1.00 58.85 C -ATOM 3166 OE1 GLN D 13 -31.137 35.205 9.016 1.00 60.94 O -ATOM 3167 NE2 GLN D 13 -31.526 37.391 9.335 1.00 59.50 N -ATOM 3168 N GLU D 14 -29.522 38.587 11.641 1.00 45.13 N -ATOM 3169 CA GLU D 14 -29.130 39.913 12.080 1.00 47.90 C -ATOM 3170 C GLU D 14 -29.845 40.269 13.369 1.00 47.02 C -ATOM 3171 O GLU D 14 -30.993 39.867 13.597 1.00 42.09 O -ATOM 3172 CB GLU D 14 -29.454 40.961 11.022 1.00 52.06 C -ATOM 3173 CG GLU D 14 -28.963 42.349 11.407 1.00 57.28 C -ATOM 3174 CD GLU D 14 -29.370 43.428 10.432 1.00 63.55 C -ATOM 3175 OE1 GLU D 14 -29.831 43.110 9.307 1.00 66.86 O -ATOM 3176 OE2 GLU D 14 -29.216 44.612 10.804 1.00 69.38 O -ATOM 3177 N GLY D 15 -29.152 41.026 14.210 1.00 50.50 N -ATOM 3178 CA GLY D 15 -29.726 41.438 15.474 1.00 53.03 C -ATOM 3179 C GLY D 15 -29.492 40.445 16.599 1.00 50.38 C -ATOM 3180 O GLY D 15 -29.488 40.821 17.770 1.00 50.02 O -ATOM 3181 N ARG D 16 -29.317 39.174 16.246 1.00 48.04 N -ATOM 3182 CA ARG D 16 -29.080 38.130 17.228 1.00 48.79 C -ATOM 3183 C ARG D 16 -27.647 38.136 17.780 1.00 52.40 C -ATOM 3184 O ARG D 16 -26.853 39.045 17.502 1.00 54.56 O -ATOM 3185 CB ARG D 16 -29.435 36.776 16.647 1.00 44.11 C -ATOM 3186 N ILE D 17 -27.345 37.133 18.601 1.00 52.87 N -ATOM 3187 CA ILE D 17 -26.043 36.995 19.243 1.00 49.07 C -ATOM 3188 C ILE D 17 -25.201 35.926 18.562 1.00 46.94 C -ATOM 3189 O ILE D 17 -25.713 34.882 18.145 1.00 48.08 O -ATOM 3190 CB ILE D 17 -26.215 36.608 20.739 1.00 49.98 C -ATOM 3191 CG1 ILE D 17 -24.874 36.663 21.460 1.00 46.88 C -ATOM 3192 CG2 ILE D 17 -26.802 35.190 20.864 1.00 52.95 C -ATOM 3193 CD1 ILE D 17 -24.968 36.408 22.941 1.00 45.43 C -ATOM 3194 N SER D 18 -23.910 36.197 18.442 1.00 47.82 N -ATOM 3195 CA SER D 18 -22.991 35.249 17.840 1.00 48.99 C -ATOM 3196 C SER D 18 -21.872 34.975 18.839 1.00 47.77 C -ATOM 3197 O SER D 18 -21.223 35.895 19.338 1.00 44.53 O -ATOM 3198 CB SER D 18 -22.439 35.772 16.504 1.00 51.48 C -ATOM 3199 OG SER D 18 -22.745 37.144 16.279 1.00 58.78 O -ATOM 3200 N ILE D 19 -21.712 33.707 19.195 1.00 48.33 N -ATOM 3201 CA ILE D 19 -20.689 33.303 20.143 1.00 49.18 C -ATOM 3202 C ILE D 19 -19.716 32.326 19.486 1.00 49.64 C -ATOM 3203 O ILE D 19 -20.114 31.242 19.040 1.00 48.35 O -ATOM 3204 CB ILE D 19 -21.342 32.659 21.383 1.00 50.57 C -ATOM 3205 N LEU D 20 -18.452 32.731 19.400 1.00 45.13 N -ATOM 3206 CA LEU D 20 -17.402 31.898 18.828 1.00 45.55 C -ATOM 3207 C LEU D 20 -16.535 31.373 20.003 1.00 47.98 C -ATOM 3208 O LEU D 20 -16.064 32.166 20.826 1.00 48.19 O -ATOM 3209 CB LEU D 20 -16.560 32.716 17.829 1.00 48.42 C -ATOM 3210 N ASN D 21 -16.387 30.045 20.103 1.00 45.03 N -ATOM 3211 CA ASN D 21 -15.604 29.391 21.164 1.00 43.73 C -ATOM 3212 C ASN D 21 -14.200 28.990 20.703 1.00 46.24 C -ATOM 3213 O ASN D 21 -13.971 28.797 19.505 1.00 52.08 O -ATOM 3214 CB ASN D 21 -16.304 28.122 21.662 1.00 42.22 C -ATOM 3215 CG ASN D 21 -17.682 28.380 22.202 1.00 39.20 C -ATOM 3216 OD1 ASN D 21 -17.859 28.653 23.385 1.00 44.04 O -ATOM 3217 ND2 ASN D 21 -18.677 28.247 21.348 1.00 40.61 N -ATOM 3218 N CYS D 22 -13.305 28.751 21.662 1.00 42.58 N -ATOM 3219 CA CYS D 22 -11.926 28.381 21.364 1.00 40.45 C -ATOM 3220 C CYS D 22 -11.316 27.598 22.537 1.00 40.15 C -ATOM 3221 O CYS D 22 -11.718 27.775 23.688 1.00 41.58 O -ATOM 3222 CB CYS D 22 -11.129 29.663 21.106 1.00 40.59 C -ATOM 3223 SG CYS D 22 -9.408 29.491 20.535 1.00 41.63 S -ATOM 3224 N ASP D 23 -10.377 26.707 22.236 1.00 36.98 N -ATOM 3225 CA ASP D 23 -9.694 25.903 23.252 1.00 36.17 C -ATOM 3226 C ASP D 23 -8.222 25.920 22.885 1.00 36.10 C -ATOM 3227 O ASP D 23 -7.885 26.190 21.734 1.00 36.36 O -ATOM 3228 CB ASP D 23 -10.182 24.450 23.250 1.00 38.04 C -ATOM 3229 CG ASP D 23 -11.677 24.323 23.500 1.00 48.54 C -ATOM 3230 OD1 ASP D 23 -12.227 25.064 24.352 1.00 48.42 O -ATOM 3231 OD2 ASP D 23 -12.292 23.459 22.840 1.00 48.41 O -ATOM 3232 N TYR D 24 -7.351 25.629 23.847 1.00 36.93 N -ATOM 3233 CA TYR D 24 -5.917 25.631 23.595 1.00 37.07 C -ATOM 3234 C TYR D 24 -5.159 24.545 24.381 1.00 38.86 C -ATOM 3235 O TYR D 24 -5.743 23.858 25.221 1.00 34.79 O -ATOM 3236 CB TYR D 24 -5.352 27.034 23.853 1.00 33.29 C -ATOM 3237 CG TYR D 24 -5.526 27.576 25.263 1.00 33.50 C -ATOM 3238 CD1 TYR D 24 -4.546 27.362 26.228 1.00 38.86 C -ATOM 3239 CD2 TYR D 24 -6.615 28.367 25.611 1.00 32.44 C -ATOM 3240 CE1 TYR D 24 -4.635 27.925 27.506 1.00 40.53 C -ATOM 3241 CE2 TYR D 24 -6.715 28.942 26.898 1.00 36.30 C -ATOM 3242 CZ TYR D 24 -5.712 28.714 27.838 1.00 36.72 C -ATOM 3243 OH TYR D 24 -5.752 29.272 29.102 1.00 27.18 O -ATOM 3244 N THR D 25 -3.874 24.364 24.079 1.00 41.43 N -ATOM 3245 CA THR D 25 -3.072 23.351 24.761 1.00 42.61 C -ATOM 3246 C THR D 25 -2.043 23.827 25.790 1.00 42.12 C -ATOM 3247 O THR D 25 -2.283 23.705 26.979 1.00 47.58 O -ATOM 3248 CB THR D 25 -2.353 22.377 23.778 1.00 45.92 C -ATOM 3249 OG1 THR D 25 -1.320 23.068 23.048 1.00 48.46 O -ATOM 3250 CG2 THR D 25 -3.346 21.749 22.821 1.00 46.54 C -ATOM 3251 N ASN D 26 -0.917 24.391 25.358 1.00 40.32 N -ATOM 3252 CA ASN D 26 0.117 24.771 26.320 1.00 46.31 C -ATOM 3253 C ASN D 26 -0.244 25.766 27.419 1.00 51.01 C -ATOM 3254 O ASN D 26 -0.894 26.793 27.176 1.00 50.92 O -ATOM 3255 CB ASN D 26 1.438 25.169 25.636 1.00 47.16 C -ATOM 3256 CG ASN D 26 1.359 26.493 24.920 1.00 46.97 C -ATOM 3257 OD1 ASN D 26 0.293 26.927 24.510 1.00 51.25 O -ATOM 3258 ND2 ASN D 26 2.502 27.115 24.718 1.00 41.19 N -ATOM 3259 N SER D 27 0.228 25.439 28.628 1.00 49.13 N -ATOM 3260 CA SER D 27 0.029 26.231 29.839 1.00 43.60 C -ATOM 3261 C SER D 27 0.978 27.433 29.785 1.00 39.06 C -ATOM 3262 O SER D 27 0.952 28.319 30.642 1.00 38.88 O -ATOM 3263 CB SER D 27 0.346 25.354 31.062 1.00 49.19 C -ATOM 3264 OG SER D 27 -0.714 25.345 32.011 1.00 60.38 O -ATOM 3265 N MET D 28 1.791 27.448 28.735 1.00 33.94 N -ATOM 3266 CA MET D 28 2.780 28.476 28.471 1.00 31.24 C -ATOM 3267 C MET D 28 2.221 29.685 27.701 1.00 32.61 C -ATOM 3268 O MET D 28 2.972 30.623 27.408 1.00 34.87 O -ATOM 3269 CB MET D 28 3.916 27.848 27.681 1.00 31.44 C -ATOM 3270 CG MET D 28 5.289 28.167 28.168 1.00 35.39 C -ATOM 3271 SD MET D 28 6.469 27.178 27.243 1.00 44.85 S -ATOM 3272 CE MET D 28 6.004 25.571 27.787 1.00 37.73 C -ATOM 3273 N PHE D 29 0.934 29.652 27.335 1.00 33.55 N -ATOM 3274 CA PHE D 29 0.297 30.782 26.634 1.00 34.48 C -ATOM 3275 C PHE D 29 -0.037 31.825 27.702 1.00 36.28 C -ATOM 3276 O PHE D 29 -0.769 31.521 28.649 1.00 38.45 O -ATOM 3277 CB PHE D 29 -0.988 30.350 25.904 1.00 31.75 C -ATOM 3278 CG PHE D 29 -0.759 29.795 24.517 1.00 30.09 C -ATOM 3279 CD1 PHE D 29 0.428 30.048 23.823 1.00 32.28 C -ATOM 3280 CD2 PHE D 29 -1.730 29.008 23.908 1.00 29.14 C -ATOM 3281 CE1 PHE D 29 0.651 29.522 22.545 1.00 28.12 C -ATOM 3282 CE2 PHE D 29 -1.520 28.478 22.635 1.00 34.22 C -ATOM 3283 CZ PHE D 29 -0.319 28.739 21.952 1.00 31.41 C -ATOM 3284 N ASP D 30 0.476 33.045 27.532 1.00 36.36 N -ATOM 3285 CA ASP D 30 0.293 34.129 28.505 1.00 34.07 C -ATOM 3286 C ASP D 30 -0.605 35.312 28.105 1.00 34.13 C -ATOM 3287 O ASP D 30 -0.921 36.173 28.944 1.00 28.06 O -ATOM 3288 CB ASP D 30 1.676 34.661 28.919 1.00 39.03 C -ATOM 3289 CG ASP D 30 2.580 34.986 27.716 1.00 41.69 C -ATOM 3290 OD1 ASP D 30 2.072 35.241 26.607 1.00 41.54 O -ATOM 3291 OD2 ASP D 30 3.816 34.988 27.882 1.00 43.10 O -ATOM 3292 N TYR D 31 -0.966 35.382 26.824 1.00 31.57 N -ATOM 3293 CA TYR D 31 -1.803 36.453 26.287 1.00 25.76 C -ATOM 3294 C TYR D 31 -2.773 35.812 25.308 1.00 25.97 C -ATOM 3295 O TYR D 31 -2.398 34.892 24.589 1.00 30.78 O -ATOM 3296 CB TYR D 31 -0.932 37.477 25.561 1.00 26.47 C -ATOM 3297 CG TYR D 31 -1.606 38.797 25.270 1.00 30.99 C -ATOM 3298 CD1 TYR D 31 -2.781 39.166 25.925 1.00 35.08 C -ATOM 3299 CD2 TYR D 31 -1.059 39.689 24.352 1.00 25.20 C -ATOM 3300 CE1 TYR D 31 -3.393 40.389 25.673 1.00 33.40 C -ATOM 3301 CE2 TYR D 31 -1.665 40.916 24.093 1.00 32.97 C -ATOM 3302 CZ TYR D 31 -2.829 41.258 24.761 1.00 33.31 C -ATOM 3303 OH TYR D 31 -3.428 42.472 24.536 1.00 41.67 O -ATOM 3304 N PHE D 32 -4.021 36.268 25.312 1.00 24.66 N -ATOM 3305 CA PHE D 32 -5.050 35.716 24.446 1.00 23.68 C -ATOM 3306 C PHE D 32 -5.710 36.838 23.685 1.00 29.41 C -ATOM 3307 O PHE D 32 -5.952 37.924 24.230 1.00 29.04 O -ATOM 3308 CB PHE D 32 -6.058 34.944 25.277 1.00 22.23 C -ATOM 3309 CG PHE D 32 -5.417 33.953 26.185 1.00 30.18 C -ATOM 3310 CD1 PHE D 32 -4.971 34.337 27.451 1.00 30.95 C -ATOM 3311 CD2 PHE D 32 -5.170 32.661 25.752 1.00 30.07 C -ATOM 3312 CE1 PHE D 32 -4.293 33.452 28.267 1.00 25.75 C -ATOM 3313 CE2 PHE D 32 -4.493 31.769 26.558 1.00 30.10 C -ATOM 3314 CZ PHE D 32 -4.049 32.168 27.818 1.00 30.92 C -ATOM 3315 N LEU D 33 -5.973 36.584 22.407 1.00 30.16 N -ATOM 3316 CA LEU D 33 -6.550 37.602 21.555 1.00 26.47 C -ATOM 3317 C LEU D 33 -7.345 37.051 20.371 1.00 24.50 C -ATOM 3318 O LEU D 33 -7.363 35.838 20.130 1.00 23.19 O -ATOM 3319 CB LEU D 33 -5.433 38.587 21.117 1.00 24.25 C -ATOM 3320 CG LEU D 33 -4.052 38.214 20.512 1.00 21.29 C -ATOM 3321 CD1 LEU D 33 -3.196 39.474 20.408 1.00 16.77 C -ATOM 3322 CD2 LEU D 33 -3.296 37.169 21.302 1.00 11.48 C -ATOM 3323 N TRP D 34 -8.086 37.934 19.711 1.00 22.59 N -ATOM 3324 CA TRP D 34 -8.890 37.562 18.556 1.00 24.80 C -ATOM 3325 C TRP D 34 -8.631 38.457 17.357 1.00 24.81 C -ATOM 3326 O TRP D 34 -8.474 39.672 17.492 1.00 24.39 O -ATOM 3327 CB TRP D 34 -10.381 37.602 18.882 1.00 25.07 C -ATOM 3328 CG TRP D 34 -10.874 36.469 19.741 1.00 30.59 C -ATOM 3329 CD1 TRP D 34 -10.861 36.418 21.097 1.00 33.52 C -ATOM 3330 CD2 TRP D 34 -11.505 35.257 19.303 1.00 28.82 C -ATOM 3331 NE1 TRP D 34 -11.453 35.260 21.532 1.00 32.74 N -ATOM 3332 CE2 TRP D 34 -11.855 34.527 20.457 1.00 28.27 C -ATOM 3333 CE3 TRP D 34 -11.810 34.719 18.049 1.00 25.62 C -ATOM 3334 CZ2 TRP D 34 -12.496 33.283 20.396 1.00 31.95 C -ATOM 3335 CZ3 TRP D 34 -12.449 33.476 17.991 1.00 26.55 C -ATOM 3336 CH2 TRP D 34 -12.783 32.775 19.157 1.00 28.68 C -ATOM 3337 N TYR D 35 -8.598 37.838 16.182 1.00 29.09 N -ATOM 3338 CA TYR D 35 -8.390 38.522 14.909 1.00 26.46 C -ATOM 3339 C TYR D 35 -9.596 38.257 14.022 1.00 26.80 C -ATOM 3340 O TYR D 35 -10.182 37.171 14.069 1.00 23.49 O -ATOM 3341 CB TYR D 35 -7.131 38.005 14.225 1.00 20.83 C -ATOM 3342 CG TYR D 35 -5.878 38.735 14.639 1.00 25.12 C -ATOM 3343 CD1 TYR D 35 -5.240 38.461 15.861 1.00 21.93 C -ATOM 3344 CD2 TYR D 35 -5.318 39.695 13.808 1.00 19.54 C -ATOM 3345 CE1 TYR D 35 -4.070 39.137 16.231 1.00 17.43 C -ATOM 3346 CE2 TYR D 35 -4.156 40.374 14.172 1.00 22.75 C -ATOM 3347 CZ TYR D 35 -3.541 40.091 15.375 1.00 19.83 C -ATOM 3348 OH TYR D 35 -2.405 40.777 15.700 1.00 18.77 O -ATOM 3349 N LYS D 36 -9.978 39.269 13.252 1.00 25.54 N -ATOM 3350 CA LYS D 36 -11.113 39.211 12.327 1.00 29.40 C -ATOM 3351 C LYS D 36 -10.497 39.356 10.937 1.00 32.68 C -ATOM 3352 O LYS D 36 -9.664 40.238 10.730 1.00 32.80 O -ATOM 3353 CB LYS D 36 -12.025 40.395 12.617 1.00 32.44 C -ATOM 3354 CG LYS D 36 -13.193 40.625 11.689 1.00 28.83 C -ATOM 3355 CD LYS D 36 -13.889 41.906 12.135 1.00 31.59 C -ATOM 3356 CE LYS D 36 -15.211 42.103 11.440 1.00 44.52 C -ATOM 3357 NZ LYS D 36 -16.139 42.962 12.231 1.00 49.20 N -ATOM 3358 N LYS D 37 -10.897 38.518 9.985 1.00 33.09 N -ATOM 3359 CA LYS D 37 -10.316 38.579 8.641 1.00 35.00 C -ATOM 3360 C LYS D 37 -11.325 38.766 7.524 1.00 39.23 C -ATOM 3361 O LYS D 37 -12.230 37.947 7.373 1.00 44.97 O -ATOM 3362 CB LYS D 37 -9.536 37.301 8.370 1.00 33.45 C -ATOM 3363 CG LYS D 37 -8.950 37.214 6.995 1.00 25.59 C -ATOM 3364 CD LYS D 37 -8.500 35.804 6.718 1.00 29.09 C -ATOM 3365 CE LYS D 37 -8.103 35.649 5.270 1.00 25.85 C -ATOM 3366 NZ LYS D 37 -6.892 36.429 4.970 1.00 29.26 N -ATOM 3367 N TYR D 38 -11.178 39.829 6.736 1.00 41.54 N -ATOM 3368 CA TYR D 38 -12.095 40.058 5.617 1.00 45.76 C -ATOM 3369 C TYR D 38 -11.510 39.400 4.366 1.00 43.78 C -ATOM 3370 O TYR D 38 -10.306 39.165 4.312 1.00 48.49 O -ATOM 3371 CB TYR D 38 -12.299 41.555 5.382 1.00 48.04 C -ATOM 3372 CG TYR D 38 -13.349 42.193 6.263 1.00 53.28 C -ATOM 3373 CD1 TYR D 38 -14.488 41.485 6.666 1.00 54.25 C -ATOM 3374 CD2 TYR D 38 -13.206 43.510 6.689 1.00 56.36 C -ATOM 3375 CE1 TYR D 38 -15.461 42.078 7.474 1.00 56.42 C -ATOM 3376 CE2 TYR D 38 -14.167 44.115 7.492 1.00 61.50 C -ATOM 3377 CZ TYR D 38 -15.293 43.396 7.885 1.00 60.90 C -ATOM 3378 OH TYR D 38 -16.227 44.012 8.693 1.00 60.49 O -ATOM 3379 N PRO D 39 -12.345 39.073 3.360 1.00 43.05 N -ATOM 3380 CA PRO D 39 -11.873 38.435 2.119 1.00 41.67 C -ATOM 3381 C PRO D 39 -10.893 39.322 1.355 1.00 38.90 C -ATOM 3382 O PRO D 39 -11.084 40.539 1.284 1.00 34.64 O -ATOM 3383 CB PRO D 39 -13.160 38.245 1.311 1.00 45.55 C -ATOM 3384 CG PRO D 39 -14.231 38.160 2.352 1.00 45.60 C -ATOM 3385 CD PRO D 39 -13.810 39.243 3.327 1.00 48.54 C -ATOM 3386 N ALA D 40 -9.841 38.708 0.812 1.00 39.01 N -ATOM 3387 CA ALA D 40 -8.811 39.414 0.045 1.00 42.46 C -ATOM 3388 C ALA D 40 -8.005 40.449 0.839 1.00 47.47 C -ATOM 3389 O ALA D 40 -7.362 41.331 0.250 1.00 47.81 O -ATOM 3390 CB ALA D 40 -9.417 40.062 -1.195 1.00 41.45 C -ATOM 3391 N GLU D 41 -8.017 40.321 2.167 1.00 49.16 N -ATOM 3392 CA GLU D 41 -7.280 41.223 3.068 1.00 44.03 C -ATOM 3393 C GLU D 41 -6.581 40.434 4.163 1.00 36.36 C -ATOM 3394 O GLU D 41 -6.912 39.269 4.410 1.00 31.40 O -ATOM 3395 CB GLU D 41 -8.218 42.194 3.772 1.00 44.22 C -ATOM 3396 CG GLU D 41 -9.118 42.991 2.889 1.00 51.65 C -ATOM 3397 CD GLU D 41 -9.967 43.944 3.687 1.00 56.85 C -ATOM 3398 OE1 GLU D 41 -9.882 43.906 4.943 1.00 53.33 O -ATOM 3399 OE2 GLU D 41 -10.713 44.730 3.054 1.00 60.59 O -ATOM 3400 N GLY D 42 -5.666 41.100 4.862 1.00 34.52 N -ATOM 3401 CA GLY D 42 -4.953 40.450 5.948 1.00 35.54 C -ATOM 3402 C GLY D 42 -5.734 40.504 7.247 1.00 36.85 C -ATOM 3403 O GLY D 42 -6.675 41.298 7.371 1.00 36.14 O -ATOM 3404 N PRO D 43 -5.439 39.609 8.202 1.00 39.05 N -ATOM 3405 CA PRO D 43 -6.141 39.598 9.493 1.00 41.62 C -ATOM 3406 C PRO D 43 -5.962 40.908 10.314 1.00 41.91 C -ATOM 3407 O PRO D 43 -4.859 41.483 10.371 1.00 40.17 O -ATOM 3408 CB PRO D 43 -5.508 38.398 10.207 1.00 40.21 C -ATOM 3409 CG PRO D 43 -5.211 37.459 9.084 1.00 40.81 C -ATOM 3410 CD PRO D 43 -4.618 38.392 8.045 1.00 41.18 C -ATOM 3411 N THR D 44 -7.053 41.360 10.941 1.00 40.72 N -ATOM 3412 CA THR D 44 -7.073 42.574 11.769 1.00 38.07 C -ATOM 3413 C THR D 44 -7.254 42.210 13.248 1.00 33.46 C -ATOM 3414 O THR D 44 -8.056 41.323 13.589 1.00 27.47 O -ATOM 3415 CB THR D 44 -8.257 43.507 11.394 1.00 39.14 C -ATOM 3416 OG1 THR D 44 -8.322 43.658 9.973 1.00 47.78 O -ATOM 3417 CG2 THR D 44 -8.085 44.886 12.021 1.00 36.39 C -ATOM 3418 N PHE D 45 -6.493 42.886 14.109 1.00 29.78 N -ATOM 3419 CA PHE D 45 -6.574 42.682 15.545 1.00 28.55 C -ATOM 3420 C PHE D 45 -7.983 43.094 15.923 1.00 28.61 C -ATOM 3421 O PHE D 45 -8.428 44.177 15.544 1.00 31.51 O -ATOM 3422 CB PHE D 45 -5.556 43.563 16.274 1.00 36.06 C -ATOM 3423 CG PHE D 45 -5.712 43.553 17.772 1.00 43.38 C -ATOM 3424 CD1 PHE D 45 -5.637 42.355 18.485 1.00 43.83 C -ATOM 3425 CD2 PHE D 45 -6.001 44.727 18.464 1.00 42.97 C -ATOM 3426 CE1 PHE D 45 -5.852 42.328 19.860 1.00 43.74 C -ATOM 3427 CE2 PHE D 45 -6.217 44.707 19.835 1.00 43.44 C -ATOM 3428 CZ PHE D 45 -6.144 43.504 20.534 1.00 40.13 C -ATOM 3429 N LEU D 46 -8.662 42.252 16.694 1.00 28.90 N -ATOM 3430 CA LEU D 46 -10.045 42.502 17.089 1.00 33.46 C -ATOM 3431 C LEU D 46 -10.283 42.798 18.589 1.00 37.82 C -ATOM 3432 O LEU D 46 -11.105 43.662 18.929 1.00 40.74 O -ATOM 3433 CB LEU D 46 -10.885 41.304 16.631 1.00 28.93 C -ATOM 3434 CG LEU D 46 -12.415 41.226 16.633 1.00 32.85 C -ATOM 3435 CD1 LEU D 46 -12.910 40.394 17.796 1.00 29.34 C -ATOM 3436 CD2 LEU D 46 -13.032 42.608 16.609 1.00 37.94 C -ATOM 3437 N ILE D 47 -9.553 42.118 19.478 1.00 38.07 N -ATOM 3438 CA ILE D 47 -9.738 42.292 20.924 1.00 34.72 C -ATOM 3439 C ILE D 47 -8.822 41.334 21.704 1.00 38.26 C -ATOM 3440 O ILE D 47 -8.484 40.264 21.196 1.00 41.19 O -ATOM 3441 CB ILE D 47 -11.222 42.013 21.287 1.00 28.69 C -ATOM 3442 CG1 ILE D 47 -11.570 42.556 22.668 1.00 21.46 C -ATOM 3443 CG2 ILE D 47 -11.527 40.533 21.170 1.00 33.16 C -ATOM 3444 CD1 ILE D 47 -13.037 42.468 22.975 1.00 14.19 C -ATOM 3445 N SER D 48 -8.409 41.717 22.918 1.00 42.79 N -ATOM 3446 CA SER D 48 -7.534 40.864 23.740 1.00 37.54 C -ATOM 3447 C SER D 48 -8.050 40.608 25.162 1.00 35.03 C -ATOM 3448 O SER D 48 -9.114 41.089 25.547 1.00 32.98 O -ATOM 3449 CB SER D 48 -6.112 41.437 23.788 1.00 37.05 C -ATOM 3450 OG SER D 48 -6.077 42.738 24.357 1.00 39.12 O -ATOM 3451 N ILE D 49 -7.312 39.794 25.913 1.00 36.68 N -ATOM 3452 CA ILE D 49 -7.657 39.459 27.293 1.00 26.66 C -ATOM 3453 C ILE D 49 -6.398 38.958 28.013 1.00 34.13 C -ATOM 3454 O ILE D 49 -5.661 38.103 27.485 1.00 28.15 O -ATOM 3455 CB ILE D 49 -8.818 38.410 27.356 1.00 18.57 C -ATOM 3456 CG1 ILE D 49 -9.469 38.435 28.734 1.00 27.40 C -ATOM 3457 CG2 ILE D 49 -8.335 37.007 27.060 1.00 8.92 C -ATOM 3458 CD1 ILE D 49 -10.729 37.599 28.832 1.00 35.45 C -ATOM 3459 N SER D 50 -6.107 39.557 29.175 1.00 40.43 N -ATOM 3460 CA SER D 50 -4.937 39.190 29.967 1.00 36.42 C -ATOM 3461 C SER D 50 -5.129 37.876 30.651 1.00 39.31 C -ATOM 3462 O SER D 50 -6.240 37.528 31.024 1.00 40.37 O -ATOM 3463 CB SER D 50 -4.629 40.241 31.014 1.00 36.92 C -ATOM 3464 OG SER D 50 -3.443 40.925 30.648 1.00 44.20 O -ATOM 3465 N SER D 51 -4.029 37.179 30.884 1.00 43.87 N -ATOM 3466 CA SER D 51 -4.077 35.874 31.530 1.00 51.38 C -ATOM 3467 C SER D 51 -4.870 35.818 32.845 1.00 52.50 C -ATOM 3468 O SER D 51 -5.413 34.779 33.190 1.00 54.53 O -ATOM 3469 CB SER D 51 -2.652 35.326 31.747 1.00 54.43 C -ATOM 3470 OG SER D 51 -1.846 36.184 32.547 1.00 62.01 O -ATOM 3471 N ILE D 52 -5.024 36.945 33.529 1.00 49.90 N -ATOM 3472 CA ILE D 52 -5.721 36.927 34.818 1.00 46.59 C -ATOM 3473 C ILE D 52 -7.191 37.305 34.861 1.00 47.95 C -ATOM 3474 O ILE D 52 -7.896 36.936 35.802 1.00 51.34 O -ATOM 3475 CB ILE D 52 -4.979 37.771 35.851 1.00 39.86 C -ATOM 3476 CG1 ILE D 52 -4.813 39.191 35.311 1.00 39.44 C -ATOM 3477 CG2 ILE D 52 -3.650 37.110 36.205 1.00 33.47 C -ATOM 3478 CD1 ILE D 52 -4.145 40.151 36.251 1.00 36.84 C -ATOM 3479 N LYS D 53 -7.647 38.061 33.871 1.00 48.96 N -ATOM 3480 CA LYS D 53 -9.039 38.485 33.831 1.00 48.96 C -ATOM 3481 C LYS D 53 -9.951 37.374 33.343 1.00 49.42 C -ATOM 3482 O LYS D 53 -9.487 36.342 32.865 1.00 50.31 O -ATOM 3483 CB LYS D 53 -9.188 39.711 32.962 1.00 49.40 C -ATOM 3484 N ASP D 54 -11.247 37.547 33.563 1.00 50.85 N -ATOM 3485 CA ASP D 54 -12.205 36.560 33.111 1.00 52.70 C -ATOM 3486 C ASP D 54 -12.947 37.037 31.868 1.00 53.84 C -ATOM 3487 O ASP D 54 -13.073 36.300 30.893 1.00 56.20 O -ATOM 3488 CB ASP D 54 -13.172 36.206 34.233 1.00 61.51 C -ATOM 3489 CG ASP D 54 -12.569 35.228 35.230 1.00 70.73 C -ATOM 3490 OD1 ASP D 54 -12.278 34.080 34.834 1.00 74.85 O -ATOM 3491 OD2 ASP D 54 -12.380 35.596 36.412 1.00 77.11 O -ATOM 3492 N LYS D 54A -13.434 38.269 31.897 1.00 48.71 N -ATOM 3493 CA LYS D 54A -14.139 38.813 30.752 1.00 44.59 C -ATOM 3494 C LYS D 54A -13.515 40.149 30.351 1.00 46.70 C -ATOM 3495 O LYS D 54A -12.800 40.767 31.140 1.00 47.77 O -ATOM 3496 CB LYS D 54A -15.613 38.992 31.079 1.00 41.68 C -ATOM 3497 N ASN D 55 -13.714 40.540 29.097 1.00 46.28 N -ATOM 3498 CA ASN D 55 -13.222 41.813 28.587 1.00 45.23 C -ATOM 3499 C ASN D 55 -14.121 42.257 27.442 1.00 48.80 C -ATOM 3500 O ASN D 55 -14.509 41.445 26.606 1.00 46.59 O -ATOM 3501 CB ASN D 55 -11.787 41.720 28.093 1.00 43.35 C -ATOM 3502 CG ASN D 55 -11.258 43.066 27.640 1.00 42.02 C -ATOM 3503 OD1 ASN D 55 -10.463 43.157 26.719 1.00 45.68 O -ATOM 3504 ND2 ASN D 55 -11.712 44.127 28.291 1.00 41.91 N -ATOM 3505 N ALA D 56 -14.412 43.549 27.357 1.00 51.40 N -ATOM 3506 CA ALA D 56 -15.310 43.998 26.304 1.00 57.69 C -ATOM 3507 C ALA D 56 -15.094 45.384 25.708 1.00 60.49 C -ATOM 3508 O ALA D 56 -14.974 46.371 26.436 1.00 62.33 O -ATOM 3509 CB ALA D 56 -16.756 43.863 26.786 1.00 54.86 C -ATOM 3510 N ASP D 57 -14.970 45.434 24.384 1.00 63.97 N -ATOM 3511 CA ASP D 57 -14.849 46.694 23.663 1.00 70.20 C -ATOM 3512 C ASP D 57 -16.081 46.708 22.762 1.00 70.91 C -ATOM 3513 O ASP D 57 -16.219 45.866 21.871 1.00 73.30 O -ATOM 3514 CB ASP D 57 -13.560 46.784 22.818 1.00 80.39 C -ATOM 3515 CG ASP D 57 -13.398 48.155 22.106 1.00 87.15 C -ATOM 3516 OD1 ASP D 57 -14.375 48.953 22.066 1.00 89.92 O -ATOM 3517 OD2 ASP D 57 -12.284 48.446 21.576 1.00 88.97 O -ATOM 3518 N GLY D 58 -17.011 47.602 23.086 1.00 69.23 N -ATOM 3519 CA GLY D 58 -18.247 47.782 22.336 1.00 68.92 C -ATOM 3520 C GLY D 58 -18.739 46.703 21.387 1.00 66.79 C -ATOM 3521 O GLY D 58 -18.355 46.686 20.207 1.00 66.14 O -ATOM 3522 N ARG D 61 -19.636 45.860 21.901 1.00 61.06 N -ATOM 3523 CA ARG D 61 -20.257 44.753 21.167 1.00 57.51 C -ATOM 3524 C ARG D 61 -19.472 43.455 21.280 1.00 55.42 C -ATOM 3525 O ARG D 61 -20.035 42.369 21.147 1.00 54.27 O -ATOM 3526 CB ARG D 61 -20.501 45.102 19.684 1.00 57.09 C -ATOM 3527 CG ARG D 61 -21.948 45.431 19.335 1.00 56.36 C -ATOM 3528 CD ARG D 61 -22.109 45.982 17.926 1.00 60.27 C -ATOM 3529 NE ARG D 61 -21.585 45.095 16.885 1.00 67.61 N -ATOM 3530 CZ ARG D 61 -20.894 45.517 15.827 1.00 70.60 C -ATOM 3531 NH1 ARG D 61 -20.640 46.811 15.663 1.00 75.51 N -ATOM 3532 NH2 ARG D 61 -20.433 44.647 14.940 1.00 69.90 N -ATOM 3533 N PHE D 62 -18.173 43.563 21.525 1.00 53.90 N -ATOM 3534 CA PHE D 62 -17.336 42.380 21.643 1.00 55.30 C -ATOM 3535 C PHE D 62 -16.995 42.113 23.086 1.00 53.84 C -ATOM 3536 O PHE D 62 -16.602 43.018 23.824 1.00 56.69 O -ATOM 3537 CB PHE D 62 -16.058 42.540 20.806 1.00 56.98 C -ATOM 3538 CG PHE D 62 -16.333 42.819 19.360 1.00 53.84 C -ATOM 3539 CD1 PHE D 62 -16.703 41.784 18.500 1.00 52.36 C -ATOM 3540 CD2 PHE D 62 -16.326 44.121 18.884 1.00 51.69 C -ATOM 3541 CE1 PHE D 62 -17.075 42.038 17.200 1.00 48.89 C -ATOM 3542 CE2 PHE D 62 -16.698 44.388 17.585 1.00 54.05 C -ATOM 3543 CZ PHE D 62 -17.077 43.341 16.737 1.00 53.46 C -ATOM 3544 N THR D 63 -17.161 40.868 23.494 1.00 50.06 N -ATOM 3545 CA THR D 63 -16.862 40.499 24.860 1.00 45.79 C -ATOM 3546 C THR D 63 -16.072 39.210 24.790 1.00 43.70 C -ATOM 3547 O THR D 63 -16.504 38.252 24.137 1.00 45.85 O -ATOM 3548 CB THR D 63 -18.151 40.240 25.645 1.00 48.12 C -ATOM 3549 OG1 THR D 63 -19.143 41.226 25.308 1.00 50.07 O -ATOM 3550 CG2 THR D 63 -17.866 40.286 27.117 1.00 44.35 C -ATOM 3551 N VAL D 64 -14.896 39.190 25.405 1.00 42.94 N -ATOM 3552 CA VAL D 64 -14.068 37.995 25.407 1.00 43.28 C -ATOM 3553 C VAL D 64 -14.117 37.331 26.770 1.00 43.99 C -ATOM 3554 O VAL D 64 -14.091 38.000 27.802 1.00 43.37 O -ATOM 3555 CB VAL D 64 -12.607 38.290 25.093 1.00 38.63 C -ATOM 3556 CG1 VAL D 64 -11.884 36.991 24.789 1.00 38.23 C -ATOM 3557 CG2 VAL D 64 -12.506 39.222 23.941 1.00 43.10 C -ATOM 3558 N PHE D 65 -14.186 36.010 26.768 1.00 45.43 N -ATOM 3559 CA PHE D 65 -14.240 35.261 27.998 1.00 47.05 C -ATOM 3560 C PHE D 65 -13.121 34.247 28.048 1.00 48.57 C -ATOM 3561 O PHE D 65 -12.927 33.470 27.103 1.00 49.54 O -ATOM 3562 CB PHE D 65 -15.596 34.572 28.127 1.00 52.96 C -ATOM 3563 CG PHE D 65 -16.755 35.532 28.181 1.00 59.30 C -ATOM 3564 CD1 PHE D 65 -17.046 36.224 29.354 1.00 60.65 C -ATOM 3565 CD2 PHE D 65 -17.540 35.768 27.050 1.00 59.42 C -ATOM 3566 CE1 PHE D 65 -18.103 37.139 29.398 1.00 62.89 C -ATOM 3567 CE2 PHE D 65 -18.600 36.682 27.085 1.00 55.18 C -ATOM 3568 CZ PHE D 65 -18.880 37.366 28.256 1.00 59.78 C -ATOM 3569 N LEU D 66 -12.331 34.336 29.114 1.00 44.66 N -ATOM 3570 CA LEU D 66 -11.223 33.420 29.360 1.00 39.85 C -ATOM 3571 C LEU D 66 -11.655 32.560 30.542 1.00 41.62 C -ATOM 3572 O LEU D 66 -12.425 32.996 31.395 1.00 44.17 O -ATOM 3573 CB LEU D 66 -9.931 34.183 29.705 1.00 28.23 C -ATOM 3574 CG LEU D 66 -8.673 33.354 29.964 1.00 23.66 C -ATOM 3575 CD1 LEU D 66 -8.464 32.370 28.828 1.00 29.91 C -ATOM 3576 CD2 LEU D 66 -7.465 34.246 30.134 1.00 18.40 C -ATOM 3577 N ASN D 67 -11.202 31.318 30.547 1.00 41.22 N -ATOM 3578 CA ASN D 67 -11.525 30.381 31.604 1.00 38.15 C -ATOM 3579 C ASN D 67 -10.382 29.409 31.599 1.00 37.79 C -ATOM 3580 O ASN D 67 -10.488 28.303 31.070 1.00 39.32 O -ATOM 3581 CB ASN D 67 -12.836 29.665 31.267 1.00 43.92 C -ATOM 3582 CG ASN D 67 -13.246 28.665 32.328 1.00 50.58 C -ATOM 3583 OD1 ASN D 67 -13.825 29.021 33.347 1.00 58.70 O -ATOM 3584 ND2 ASN D 67 -12.969 27.402 32.079 1.00 55.99 N -ATOM 3585 N LYS D 68 -9.259 29.870 32.132 1.00 40.79 N -ATOM 3586 CA LYS D 68 -8.030 29.093 32.173 1.00 45.94 C -ATOM 3587 C LYS D 68 -8.162 27.679 32.713 1.00 49.81 C -ATOM 3588 O LYS D 68 -7.409 26.790 32.308 1.00 51.71 O -ATOM 3589 CB LYS D 68 -6.970 29.831 32.970 1.00 43.21 C -ATOM 3590 CG LYS D 68 -6.915 31.310 32.614 1.00 49.16 C -ATOM 3591 CD LYS D 68 -5.973 32.067 33.566 1.00 55.31 C -ATOM 3592 CE LYS D 68 -4.507 32.014 33.090 1.00 62.17 C -ATOM 3593 NZ LYS D 68 -3.603 32.828 34.012 1.00 64.45 N -ATOM 3594 N SER D 69 -9.068 27.486 33.661 1.00 51.57 N -ATOM 3595 CA SER D 69 -9.249 26.157 34.219 1.00 55.27 C -ATOM 3596 C SER D 69 -9.580 25.176 33.118 1.00 56.52 C -ATOM 3597 O SER D 69 -9.115 24.039 33.134 1.00 57.97 O -ATOM 3598 CB SER D 69 -10.342 26.136 35.281 1.00 62.30 C -ATOM 3599 OG SER D 69 -9.771 25.888 36.551 1.00 77.25 O -ATOM 3600 N ALA D 70 -10.401 25.626 32.170 1.00 60.24 N -ATOM 3601 CA ALA D 70 -10.792 24.793 31.034 1.00 59.86 C -ATOM 3602 C ALA D 70 -9.972 25.081 29.780 1.00 57.38 C -ATOM 3603 O ALA D 70 -10.166 24.432 28.758 1.00 63.83 O -ATOM 3604 CB ALA D 70 -12.287 24.937 30.738 1.00 62.96 C -ATOM 3605 N LYS D 71 -9.070 26.059 29.842 1.00 50.02 N -ATOM 3606 CA LYS D 71 -8.243 26.405 28.681 1.00 50.29 C -ATOM 3607 C LYS D 71 -9.179 26.630 27.484 1.00 52.35 C -ATOM 3608 O LYS D 71 -9.034 26.011 26.423 1.00 51.55 O -ATOM 3609 CB LYS D 71 -7.236 25.287 28.381 1.00 46.85 C -ATOM 3610 N HIS D 72 -10.139 27.533 27.674 1.00 51.95 N -ATOM 3611 CA HIS D 72 -11.134 27.847 26.664 1.00 49.52 C -ATOM 3612 C HIS D 72 -11.383 29.350 26.638 1.00 48.87 C -ATOM 3613 O HIS D 72 -11.594 29.959 27.680 1.00 47.59 O -ATOM 3614 CB HIS D 72 -12.419 27.059 26.981 1.00 52.82 C -ATOM 3615 CG HIS D 72 -13.679 27.615 26.389 1.00 57.95 C -ATOM 3616 ND1 HIS D 72 -14.214 28.823 26.751 1.00 63.23 N -ATOM 3617 CD2 HIS D 72 -14.550 27.065 25.509 1.00 59.03 C -ATOM 3618 CE1 HIS D 72 -15.373 29.019 26.126 1.00 60.77 C -ATOM 3619 NE2 HIS D 72 -15.595 27.956 25.366 1.00 62.56 N -ATOM 3620 N LEU D 73 -11.326 29.930 25.444 1.00 49.06 N -ATOM 3621 CA LEU D 73 -11.555 31.357 25.247 1.00 44.43 C -ATOM 3622 C LEU D 73 -12.797 31.519 24.367 1.00 43.11 C -ATOM 3623 O LEU D 73 -13.129 30.625 23.585 1.00 39.92 O -ATOM 3624 CB LEU D 73 -10.341 31.989 24.577 1.00 42.01 C -ATOM 3625 CG LEU D 73 -10.233 33.510 24.572 1.00 44.81 C -ATOM 3626 CD1 LEU D 73 -10.012 34.035 25.965 1.00 45.77 C -ATOM 3627 CD2 LEU D 73 -9.079 33.904 23.693 1.00 53.55 C -ATOM 3628 N SER D 74 -13.485 32.648 24.487 1.00 40.95 N -ATOM 3629 CA SER D 74 -14.684 32.867 23.700 1.00 35.24 C -ATOM 3630 C SER D 74 -14.892 34.322 23.328 1.00 31.31 C -ATOM 3631 O SER D 74 -14.294 35.223 23.923 1.00 25.58 O -ATOM 3632 CB SER D 74 -15.905 32.342 24.450 1.00 42.74 C -ATOM 3633 OG SER D 74 -17.077 32.434 23.649 1.00 50.84 O -ATOM 3634 N LEU D 75 -15.768 34.538 22.354 1.00 29.49 N -ATOM 3635 CA LEU D 75 -16.073 35.870 21.869 1.00 32.13 C -ATOM 3636 C LEU D 75 -17.546 35.992 21.629 1.00 29.90 C -ATOM 3637 O LEU D 75 -18.110 35.222 20.855 1.00 34.46 O -ATOM 3638 CB LEU D 75 -15.365 36.126 20.535 1.00 37.36 C -ATOM 3639 CG LEU D 75 -15.590 37.503 19.890 1.00 38.64 C -ATOM 3640 CD1 LEU D 75 -15.049 38.608 20.812 1.00 33.44 C -ATOM 3641 CD2 LEU D 75 -14.925 37.555 18.513 1.00 34.51 C -ATOM 3642 N HIS D 76 -18.172 36.964 22.277 1.00 28.79 N -ATOM 3643 CA HIS D 76 -19.593 37.190 22.074 1.00 31.48 C -ATOM 3644 C HIS D 76 -19.777 38.494 21.321 1.00 34.08 C -ATOM 3645 O HIS D 76 -19.195 39.523 21.703 1.00 30.56 O -ATOM 3646 CB HIS D 76 -20.355 37.262 23.395 1.00 33.31 C -ATOM 3647 CG HIS D 76 -20.386 35.963 24.142 1.00 38.93 C -ATOM 3648 ND1 HIS D 76 -21.518 35.492 24.767 1.00 38.27 N -ATOM 3649 CD2 HIS D 76 -19.407 35.071 24.402 1.00 42.97 C -ATOM 3650 CE1 HIS D 76 -21.229 34.365 25.395 1.00 39.54 C -ATOM 3651 NE2 HIS D 76 -19.959 34.083 25.193 1.00 39.25 N -ATOM 3652 N ILE D 77 -20.450 38.405 20.173 1.00 36.29 N -ATOM 3653 CA ILE D 77 -20.765 39.571 19.361 1.00 34.69 C -ATOM 3654 C ILE D 77 -22.263 39.771 19.492 1.00 40.18 C -ATOM 3655 O ILE D 77 -23.071 38.911 19.118 1.00 36.87 O -ATOM 3656 CB ILE D 77 -20.408 39.415 17.870 1.00 30.42 C -ATOM 3657 CG1 ILE D 77 -18.914 39.122 17.713 1.00 26.25 C -ATOM 3658 CG2 ILE D 77 -20.770 40.699 17.133 1.00 23.21 C -ATOM 3659 CD1 ILE D 77 -18.462 38.951 16.297 1.00 25.87 C -ATOM 3660 N VAL D 78 -22.601 40.837 20.202 1.00 48.29 N -ATOM 3661 CA VAL D 78 -23.973 41.243 20.448 1.00 51.95 C -ATOM 3662 C VAL D 78 -23.961 42.755 20.407 1.00 53.22 C -ATOM 3663 O VAL D 78 -23.146 43.396 21.071 1.00 55.44 O -ATOM 3664 CB VAL D 78 -24.431 40.886 21.873 1.00 53.28 C -ATOM 3665 CG1 VAL D 78 -25.943 40.970 21.962 1.00 56.52 C -ATOM 3666 CG2 VAL D 78 -23.900 39.542 22.302 1.00 53.56 C -ATOM 3667 N PRO D 79 -24.777 43.380 19.538 1.00 54.35 N -ATOM 3668 CA PRO D 79 -25.689 42.670 18.618 1.00 54.80 C -ATOM 3669 C PRO D 79 -24.953 42.476 17.295 1.00 55.09 C -ATOM 3670 O PRO D 79 -24.176 43.332 16.861 1.00 56.57 O -ATOM 3671 CB PRO D 79 -26.823 43.680 18.485 1.00 53.54 C -ATOM 3672 CG PRO D 79 -26.097 45.010 18.536 1.00 55.65 C -ATOM 3673 CD PRO D 79 -25.122 44.790 19.666 1.00 54.93 C -ATOM 3674 N SER D 80 -25.130 41.323 16.660 1.00 52.92 N -ATOM 3675 CA SER D 80 -24.427 41.145 15.412 1.00 59.23 C -ATOM 3676 C SER D 80 -25.059 41.854 14.197 1.00 60.57 C -ATOM 3677 O SER D 80 -26.289 41.849 14.020 1.00 59.72 O -ATOM 3678 CB SER D 80 -24.136 39.656 15.151 1.00 59.04 C -ATOM 3679 OG SER D 80 -25.276 38.848 15.328 1.00 63.25 O -ATOM 3680 N GLN D 81 -24.197 42.539 13.432 1.00 61.12 N -ATOM 3681 CA GLN D 81 -24.550 43.283 12.215 1.00 54.23 C -ATOM 3682 C GLN D 81 -23.975 42.512 11.001 1.00 51.01 C -ATOM 3683 O GLN D 81 -22.979 41.797 11.146 1.00 44.80 O -ATOM 3684 CB GLN D 81 -23.907 44.679 12.247 1.00 54.22 C -ATOM 3685 CG GLN D 81 -24.102 45.507 13.526 1.00 54.66 C -ATOM 3686 CD GLN D 81 -23.337 46.836 13.462 1.00 60.18 C -ATOM 3687 OE1 GLN D 81 -22.416 46.993 12.653 1.00 62.69 O -ATOM 3688 NE2 GLN D 81 -23.720 47.794 14.302 1.00 57.17 N -ATOM 3689 N PRO D 82 -24.573 42.655 9.792 1.00 52.01 N -ATOM 3690 CA PRO D 82 -24.099 41.966 8.578 1.00 47.41 C -ATOM 3691 C PRO D 82 -22.650 42.295 8.195 1.00 40.25 C -ATOM 3692 O PRO D 82 -22.018 41.532 7.473 1.00 38.57 O -ATOM 3693 CB PRO D 82 -25.071 42.445 7.497 1.00 46.29 C -ATOM 3694 CG PRO D 82 -26.325 42.657 8.240 1.00 47.58 C -ATOM 3695 CD PRO D 82 -25.827 43.380 9.491 1.00 54.64 C -ATOM 3696 N GLY D 83 -22.150 43.450 8.634 1.00 34.65 N -ATOM 3697 CA GLY D 83 -20.773 43.812 8.344 1.00 32.07 C -ATOM 3698 C GLY D 83 -19.828 42.899 9.104 1.00 33.56 C -ATOM 3699 O GLY D 83 -18.654 42.821 8.785 1.00 36.23 O -ATOM 3700 N ASP D 84 -20.354 42.197 10.108 1.00 36.75 N -ATOM 3701 CA ASP D 84 -19.573 41.282 10.938 1.00 38.00 C -ATOM 3702 C ASP D 84 -19.175 39.969 10.280 1.00 35.84 C -ATOM 3703 O ASP D 84 -18.374 39.218 10.844 1.00 36.86 O -ATOM 3704 CB ASP D 84 -20.318 40.967 12.244 1.00 39.40 C -ATOM 3705 CG ASP D 84 -20.173 42.059 13.283 1.00 40.23 C -ATOM 3706 OD1 ASP D 84 -19.111 42.724 13.325 1.00 43.35 O -ATOM 3707 OD2 ASP D 84 -21.121 42.237 14.074 1.00 38.78 O -ATOM 3708 N SER D 85 -19.795 39.641 9.153 1.00 31.50 N -ATOM 3709 CA SER D 85 -19.473 38.406 8.465 1.00 29.00 C -ATOM 3710 C SER D 85 -17.993 38.496 8.160 1.00 31.51 C -ATOM 3711 O SER D 85 -17.513 39.506 7.641 1.00 36.81 O -ATOM 3712 CB SER D 85 -20.284 38.272 7.181 1.00 32.72 C -ATOM 3713 OG SER D 85 -21.676 38.140 7.454 1.00 40.50 O -ATOM 3714 N ALA D 86 -17.262 37.466 8.559 1.00 27.79 N -ATOM 3715 CA ALA D 86 -15.828 37.424 8.364 1.00 16.74 C -ATOM 3716 C ALA D 86 -15.353 36.146 9.009 1.00 18.32 C -ATOM 3717 O ALA D 86 -16.151 35.413 9.590 1.00 20.93 O -ATOM 3718 CB ALA D 86 -15.191 38.607 9.039 1.00 9.62 C -ATOM 3719 N VAL D 87 -14.081 35.819 8.830 1.00 22.76 N -ATOM 3720 CA VAL D 87 -13.542 34.631 9.466 1.00 25.74 C -ATOM 3721 C VAL D 87 -12.842 35.215 10.667 1.00 27.80 C -ATOM 3722 O VAL D 87 -12.043 36.161 10.528 1.00 21.83 O -ATOM 3723 CB VAL D 87 -12.479 33.875 8.622 1.00 26.26 C -ATOM 3724 CG1 VAL D 87 -11.882 32.738 9.442 1.00 20.60 C -ATOM 3725 CG2 VAL D 87 -13.099 33.289 7.373 1.00 28.68 C -ATOM 3726 N TYR D 88 -13.216 34.711 11.840 1.00 28.01 N -ATOM 3727 CA TYR D 88 -12.626 35.147 13.092 1.00 23.49 C -ATOM 3728 C TYR D 88 -11.614 34.130 13.597 1.00 23.77 C -ATOM 3729 O TYR D 88 -11.915 32.934 13.697 1.00 23.02 O -ATOM 3730 CB TYR D 88 -13.719 35.390 14.118 1.00 23.44 C -ATOM 3731 CG TYR D 88 -14.610 36.562 13.779 1.00 17.31 C -ATOM 3732 CD1 TYR D 88 -14.234 37.853 14.099 1.00 22.57 C -ATOM 3733 CD2 TYR D 88 -15.827 36.373 13.152 1.00 17.75 C -ATOM 3734 CE1 TYR D 88 -15.049 38.925 13.811 1.00 21.82 C -ATOM 3735 CE2 TYR D 88 -16.650 37.442 12.855 1.00 19.49 C -ATOM 3736 CZ TYR D 88 -16.254 38.713 13.189 1.00 19.77 C -ATOM 3737 OH TYR D 88 -17.072 39.787 12.928 1.00 33.64 O -ATOM 3738 N PHE D 89 -10.384 34.599 13.782 1.00 22.73 N -ATOM 3739 CA PHE D 89 -9.294 33.770 14.267 1.00 31.24 C -ATOM 3740 C PHE D 89 -8.951 34.012 15.726 1.00 34.24 C -ATOM 3741 O PHE D 89 -8.601 35.125 16.103 1.00 31.93 O -ATOM 3742 CB PHE D 89 -8.030 34.045 13.483 1.00 32.95 C -ATOM 3743 CG PHE D 89 -8.099 33.637 12.068 1.00 37.61 C -ATOM 3744 CD1 PHE D 89 -7.838 32.326 11.704 1.00 37.97 C -ATOM 3745 CD2 PHE D 89 -8.371 34.581 11.082 1.00 41.55 C -ATOM 3746 CE1 PHE D 89 -7.832 31.961 10.370 1.00 42.86 C -ATOM 3747 CE2 PHE D 89 -8.368 34.232 9.742 1.00 41.04 C -ATOM 3748 CZ PHE D 89 -8.101 32.920 9.380 1.00 43.64 C -ATOM 3749 N CYS D 90 -9.049 32.958 16.530 1.00 37.99 N -ATOM 3750 CA CYS D 90 -8.703 32.986 17.947 1.00 40.02 C -ATOM 3751 C CYS D 90 -7.206 32.709 18.026 1.00 36.18 C -ATOM 3752 O CYS D 90 -6.716 31.765 17.404 1.00 38.88 O -ATOM 3753 CB CYS D 90 -9.481 31.893 18.685 1.00 44.30 C -ATOM 3754 SG CYS D 90 -8.850 31.435 20.333 1.00 51.36 S -ATOM 3755 N ALA D 91 -6.484 33.530 18.779 1.00 36.00 N -ATOM 3756 CA ALA D 91 -5.037 33.383 18.910 1.00 31.99 C -ATOM 3757 C ALA D 91 -4.552 33.530 20.353 1.00 31.98 C -ATOM 3758 O ALA D 91 -5.273 34.027 21.220 1.00 33.84 O -ATOM 3759 CB ALA D 91 -4.340 34.395 18.022 1.00 20.54 C -ATOM 3760 N ALA D 92 -3.310 33.123 20.579 1.00 28.62 N -ATOM 3761 CA ALA D 92 -2.672 33.179 21.877 1.00 26.60 C -ATOM 3762 C ALA D 92 -1.163 33.346 21.671 1.00 26.91 C -ATOM 3763 O ALA D 92 -0.615 32.779 20.735 1.00 27.88 O -ATOM 3764 CB ALA D 92 -2.952 31.888 22.622 1.00 30.87 C -ATOM 3765 N MET D 93 -0.485 34.121 22.515 1.00 25.12 N -ATOM 3766 CA MET D 93 0.957 34.274 22.352 1.00 26.40 C -ATOM 3767 C MET D 93 1.709 33.504 23.419 1.00 28.96 C -ATOM 3768 O MET D 93 1.163 33.199 24.480 1.00 37.76 O -ATOM 3769 CB MET D 93 1.380 35.734 22.448 1.00 17.29 C -ATOM 3770 CG MET D 93 0.360 36.694 21.957 1.00 25.08 C -ATOM 3771 SD MET D 93 1.153 38.034 21.108 1.00 27.40 S -ATOM 3772 CE MET D 93 1.442 39.183 22.294 1.00 36.11 C -ATOM 3773 N GLU D 94 2.943 33.132 23.105 1.00 30.52 N -ATOM 3774 CA GLU D 94 3.830 32.470 24.052 1.00 29.13 C -ATOM 3775 C GLU D 94 4.991 33.486 24.135 1.00 29.06 C -ATOM 3776 O GLU D 94 6.085 33.275 23.602 1.00 22.51 O -ATOM 3777 CB GLU D 94 4.287 31.115 23.507 1.00 27.95 C -ATOM 3778 CG GLU D 94 5.229 30.397 24.445 1.00 31.09 C -ATOM 3779 CD GLU D 94 5.587 29.025 23.960 1.00 36.63 C -ATOM 3780 OE1 GLU D 94 4.767 28.116 24.166 1.00 43.11 O -ATOM 3781 OE2 GLU D 94 6.677 28.843 23.378 1.00 35.76 O -ATOM 3782 N GLY D 95 4.713 34.607 24.794 1.00 28.50 N -ATOM 3783 CA GLY D 95 5.663 35.700 24.880 1.00 31.56 C -ATOM 3784 C GLY D 95 5.178 36.680 23.806 1.00 34.99 C -ATOM 3785 O GLY D 95 4.203 36.387 23.107 1.00 41.17 O -ATOM 3786 N ALA D 96 5.874 37.786 23.585 1.00 29.55 N -ATOM 3787 CA ALA D 96 5.406 38.753 22.594 1.00 28.88 C -ATOM 3788 C ALA D 96 5.966 38.544 21.191 1.00 31.96 C -ATOM 3789 O ALA D 96 5.684 39.321 20.275 1.00 34.63 O -ATOM 3790 CB ALA D 96 5.682 40.172 23.072 1.00 23.18 C -ATOM 3791 N GLN D 102 6.777 37.503 21.030 1.00 32.07 N -ATOM 3792 CA GLN D 102 7.399 37.188 19.744 1.00 21.37 C -ATOM 3793 C GLN D 102 6.931 35.877 19.094 1.00 15.81 C -ATOM 3794 O GLN D 102 7.588 35.330 18.201 1.00 13.66 O -ATOM 3795 CB GLN D 102 8.925 37.256 19.884 1.00 23.58 C -ATOM 3796 CG GLN D 102 9.411 38.631 20.383 1.00 8.66 C -ATOM 3797 CD GLN D 102 10.902 38.704 20.569 1.00 12.56 C -ATOM 3798 OE1 GLN D 102 11.539 37.717 20.916 1.00 18.82 O -ATOM 3799 NE2 GLN D 102 11.474 39.880 20.347 1.00 13.35 N -ATOM 3800 N LYS D 103 5.787 35.385 19.553 1.00 9.21 N -ATOM 3801 CA LYS D 103 5.181 34.199 18.990 1.00 14.61 C -ATOM 3802 C LYS D 103 3.667 34.272 19.120 1.00 17.63 C -ATOM 3803 O LYS D 103 3.138 34.440 20.211 1.00 20.52 O -ATOM 3804 CB LYS D 103 5.709 32.900 19.596 1.00 16.39 C -ATOM 3805 CG LYS D 103 4.972 31.685 19.010 1.00 20.58 C -ATOM 3806 CD LYS D 103 5.774 30.383 18.964 1.00 31.79 C -ATOM 3807 CE LYS D 103 5.036 29.340 18.091 1.00 42.86 C -ATOM 3808 NZ LYS D 103 5.576 27.931 18.113 1.00 53.32 N -ATOM 3809 N LEU D 104 2.987 34.148 17.984 1.00 22.37 N -ATOM 3810 CA LEU D 104 1.530 34.178 17.897 1.00 23.26 C -ATOM 3811 C LEU D 104 1.115 32.814 17.355 1.00 27.26 C -ATOM 3812 O LEU D 104 1.770 32.276 16.462 1.00 30.15 O -ATOM 3813 CB LEU D 104 1.091 35.232 16.884 1.00 34.69 C -ATOM 3814 CG LEU D 104 -0.109 36.107 17.199 1.00 33.73 C -ATOM 3815 CD1 LEU D 104 -1.318 35.291 17.484 1.00 35.05 C -ATOM 3816 CD2 LEU D 104 0.244 36.915 18.404 1.00 50.00 C -ATOM 3817 N VAL D 105 0.052 32.242 17.901 1.00 22.34 N -ATOM 3818 CA VAL D 105 -0.426 30.957 17.447 1.00 19.61 C -ATOM 3819 C VAL D 105 -1.907 31.065 17.169 1.00 20.42 C -ATOM 3820 O VAL D 105 -2.695 31.338 18.066 1.00 23.79 O -ATOM 3821 CB VAL D 105 -0.141 29.877 18.493 1.00 25.84 C -ATOM 3822 CG1 VAL D 105 -0.673 28.502 18.040 1.00 18.81 C -ATOM 3823 CG2 VAL D 105 1.354 29.831 18.758 1.00 19.30 C -ATOM 3824 N PHE D 106 -2.271 30.897 15.903 1.00 22.03 N -ATOM 3825 CA PHE D 106 -3.663 30.992 15.500 1.00 23.18 C -ATOM 3826 C PHE D 106 -4.323 29.631 15.475 1.00 24.69 C -ATOM 3827 O PHE D 106 -3.671 28.593 15.587 1.00 23.42 O -ATOM 3828 CB PHE D 106 -3.801 31.628 14.112 1.00 19.54 C -ATOM 3829 CG PHE D 106 -3.278 33.027 14.023 1.00 18.44 C -ATOM 3830 CD1 PHE D 106 -1.928 33.259 13.818 1.00 16.04 C -ATOM 3831 CD2 PHE D 106 -4.139 34.117 14.132 1.00 19.58 C -ATOM 3832 CE1 PHE D 106 -1.438 34.561 13.722 1.00 26.67 C -ATOM 3833 CE2 PHE D 106 -3.663 35.425 14.035 1.00 18.89 C -ATOM 3834 CZ PHE D 106 -2.311 35.651 13.833 1.00 22.65 C -ATOM 3835 N GLY D 107 -5.640 29.667 15.351 1.00 26.69 N -ATOM 3836 CA GLY D 107 -6.417 28.456 15.270 1.00 30.71 C -ATOM 3837 C GLY D 107 -6.920 28.311 13.846 1.00 36.68 C -ATOM 3838 O GLY D 107 -6.550 29.084 12.953 1.00 38.23 O -ATOM 3839 N GLN D 108 -7.889 27.424 13.667 1.00 37.03 N -ATOM 3840 CA GLN D 108 -8.420 27.144 12.346 1.00 32.38 C -ATOM 3841 C GLN D 108 -9.291 28.277 11.807 1.00 31.92 C -ATOM 3842 O GLN D 108 -9.340 28.502 10.608 1.00 36.11 O -ATOM 3843 CB GLN D 108 -9.163 25.799 12.335 1.00 29.77 C -ATOM 3844 CG GLN D 108 -9.015 24.905 13.595 1.00 33.21 C -ATOM 3845 CD GLN D 108 -7.581 24.570 13.991 1.00 37.15 C -ATOM 3846 OE1 GLN D 108 -6.813 25.434 14.384 1.00 43.02 O -ATOM 3847 NE2 GLN D 108 -7.245 23.296 13.962 1.00 47.19 N -ATOM 3848 N GLY D 109 -9.850 29.075 12.707 1.00 31.34 N -ATOM 3849 CA GLY D 109 -10.714 30.172 12.309 1.00 28.51 C -ATOM 3850 C GLY D 109 -12.145 29.684 12.114 1.00 33.86 C -ATOM 3851 O GLY D 109 -12.387 28.483 11.928 1.00 30.28 O -ATOM 3852 N THR D 110 -13.095 30.610 12.193 1.00 36.46 N -ATOM 3853 CA THR D 110 -14.505 30.293 12.004 1.00 37.86 C -ATOM 3854 C THR D 110 -15.170 31.389 11.175 1.00 42.28 C -ATOM 3855 O THR D 110 -15.001 32.586 11.451 1.00 37.90 O -ATOM 3856 CB THR D 110 -15.252 30.124 13.359 1.00 41.48 C -ATOM 3857 OG1 THR D 110 -14.786 28.934 14.010 1.00 42.58 O -ATOM 3858 CG2 THR D 110 -16.774 30.020 13.151 1.00 40.97 C -ATOM 3859 N ARG D 111 -15.852 30.973 10.110 1.00 44.72 N -ATOM 3860 CA ARG D 111 -16.550 31.907 9.237 1.00 45.96 C -ATOM 3861 C ARG D 111 -17.852 32.308 9.862 1.00 42.64 C -ATOM 3862 O ARG D 111 -18.733 31.474 10.089 1.00 43.25 O -ATOM 3863 CB ARG D 111 -16.908 31.289 7.896 1.00 53.12 C -ATOM 3864 CG ARG D 111 -15.790 31.042 6.962 1.00 63.88 C -ATOM 3865 CD ARG D 111 -16.349 30.363 5.756 1.00 69.04 C -ATOM 3866 NE ARG D 111 -15.286 29.813 4.943 1.00 82.77 N -ATOM 3867 CZ ARG D 111 -15.479 29.285 3.745 1.00 94.65 C -ATOM 3868 NH1 ARG D 111 -16.702 29.235 3.233 1.00 99.99 N -ATOM 3869 NH2 ARG D 111 -14.445 28.842 3.044 1.00 99.98 N -ATOM 3870 N LEU D 112 -17.968 33.583 10.169 1.00 38.72 N -ATOM 3871 CA LEU D 112 -19.205 34.064 10.713 1.00 38.73 C -ATOM 3872 C LEU D 112 -19.962 34.691 9.556 1.00 38.19 C -ATOM 3873 O LEU D 112 -19.408 35.486 8.785 1.00 33.44 O -ATOM 3874 CB LEU D 112 -18.977 35.091 11.814 1.00 36.29 C -ATOM 3875 CG LEU D 112 -20.317 35.470 12.436 1.00 34.29 C -ATOM 3876 CD1 LEU D 112 -20.947 34.197 12.997 1.00 30.30 C -ATOM 3877 CD2 LEU D 112 -20.156 36.555 13.507 1.00 35.18 C -ATOM 3878 N THR D 113 -21.217 34.289 9.420 1.00 40.91 N -ATOM 3879 CA THR D 113 -22.085 34.801 8.379 1.00 41.49 C -ATOM 3880 C THR D 113 -23.300 35.412 9.072 1.00 42.07 C -ATOM 3881 O THR D 113 -24.131 34.700 9.643 1.00 41.37 O -ATOM 3882 CB THR D 113 -22.531 33.667 7.388 1.00 43.22 C -ATOM 3883 OG1 THR D 113 -21.377 33.053 6.787 1.00 40.86 O -ATOM 3884 CG2 THR D 113 -23.416 34.230 6.282 1.00 40.64 C -ATOM 3885 N ILE D 114 -23.298 36.735 9.168 1.00 43.22 N -ATOM 3886 CA ILE D 114 -24.414 37.451 9.758 1.00 47.64 C -ATOM 3887 C ILE D 114 -25.389 37.730 8.592 1.00 47.30 C -ATOM 3888 O ILE D 114 -25.105 38.514 7.678 1.00 48.71 O -ATOM 3889 CB ILE D 114 -23.926 38.751 10.430 1.00 43.13 C -ATOM 3890 N ASN D 115 -26.509 37.016 8.609 1.00 45.04 N -ATOM 3891 CA ASN D 115 -27.554 37.107 7.589 1.00 43.66 C -ATOM 3892 C ASN D 115 -28.494 38.298 7.775 1.00 46.41 C -ATOM 3893 O ASN D 115 -29.150 38.414 8.813 1.00 46.87 O -ATOM 3894 CB ASN D 115 -28.392 35.838 7.622 1.00 36.95 C -ATOM 3895 CG ASN D 115 -27.557 34.599 7.535 1.00 36.56 C -ATOM 3896 OD1 ASN D 115 -26.373 34.658 7.214 1.00 38.62 O -ATOM 3897 ND2 ASN D 115 -28.155 33.463 7.846 1.00 39.68 N -ATOM 3898 N PRO D 116 -28.644 39.151 6.740 1.00 49.13 N -ATOM 3899 CA PRO D 116 -29.533 40.316 6.855 1.00 50.06 C -ATOM 3900 C PRO D 116 -31.002 39.889 6.929 1.00 50.64 C -ATOM 3901 O PRO D 116 -31.367 38.808 6.447 1.00 47.70 O -ATOM 3902 CB PRO D 116 -29.262 41.084 5.557 1.00 48.50 C -ATOM 3903 CG PRO D 116 -27.919 40.579 5.106 1.00 45.34 C -ATOM 3904 CD PRO D 116 -28.013 39.118 5.412 1.00 46.58 C -ATOM 3905 N ASN D 117 -31.833 40.712 7.561 1.00 51.34 N -ATOM 3906 CA ASN D 117 -33.258 40.403 7.677 1.00 56.82 C -ATOM 3907 C ASN D 117 -33.923 40.812 6.365 1.00 57.32 C -ATOM 3908 O ASN D 117 -33.722 41.942 5.908 1.00 64.77 O -ATOM 3909 CB ASN D 117 -33.912 41.197 8.828 1.00 59.70 C -ATOM 3910 CG ASN D 117 -33.459 40.744 10.217 1.00 55.90 C -ATOM 3911 OD1 ASN D 117 -33.272 39.547 10.473 1.00 55.16 O -ATOM 3912 ND2 ASN D 117 -33.309 41.706 11.128 1.00 45.27 N -ATOM 3913 N ILE D 118 -34.698 39.916 5.757 1.00 53.00 N -ATOM 3914 CA ILE D 118 -35.372 40.258 4.505 1.00 53.36 C -ATOM 3915 C ILE D 118 -36.787 40.748 4.825 1.00 54.21 C -ATOM 3916 O ILE D 118 -37.601 39.989 5.358 1.00 56.24 O -ATOM 3917 CB ILE D 118 -35.464 39.059 3.526 1.00 53.06 C -ATOM 3918 CG1 ILE D 118 -34.204 38.187 3.580 1.00 54.40 C -ATOM 3919 CG2 ILE D 118 -35.591 39.583 2.103 1.00 56.88 C -ATOM 3920 CD1 ILE D 118 -32.966 38.815 2.939 1.00 51.25 C -ATOM 3921 N GLN D 119 -37.075 41.999 4.460 1.00 54.25 N -ATOM 3922 CA GLN D 119 -38.375 42.637 4.710 1.00 52.49 C -ATOM 3923 C GLN D 119 -39.535 41.993 3.950 1.00 55.12 C -ATOM 3924 O GLN D 119 -40.517 41.557 4.555 1.00 55.96 O -ATOM 3925 CB GLN D 119 -38.297 44.122 4.395 1.00 49.00 C -ATOM 3926 N ASN D 120 -39.438 41.956 2.624 1.00 59.57 N -ATOM 3927 CA ASN D 120 -40.486 41.346 1.813 1.00 62.68 C -ATOM 3928 C ASN D 120 -39.887 40.455 0.718 1.00 62.56 C -ATOM 3929 O ASN D 120 -39.588 40.929 -0.375 1.00 67.82 O -ATOM 3930 CB ASN D 120 -41.385 42.428 1.211 1.00 62.03 C -ATOM 3931 CG ASN D 120 -42.823 41.982 1.119 1.00 67.47 C -ATOM 3932 OD1 ASN D 120 -43.103 40.793 0.973 1.00 69.55 O -ATOM 3933 ND2 ASN D 120 -43.750 42.924 1.255 1.00 74.35 N -ATOM 3934 N PRO D 121 -39.647 39.162 1.026 1.00 63.15 N -ATOM 3935 CA PRO D 121 -39.072 38.188 0.091 1.00 62.11 C -ATOM 3936 C PRO D 121 -40.067 37.451 -0.780 1.00 61.25 C -ATOM 3937 O PRO D 121 -41.237 37.284 -0.424 1.00 58.55 O -ATOM 3938 CB PRO D 121 -38.378 37.173 1.010 1.00 63.80 C -ATOM 3939 CG PRO D 121 -38.535 37.720 2.411 1.00 71.50 C -ATOM 3940 CD PRO D 121 -39.774 38.555 2.356 1.00 68.61 C -ATOM 3941 N ASP D 122 -39.541 36.939 -1.887 1.00 59.77 N -ATOM 3942 CA ASP D 122 -40.298 36.153 -2.859 1.00 59.12 C -ATOM 3943 C ASP D 122 -39.270 35.410 -3.717 1.00 56.84 C -ATOM 3944 O ASP D 122 -38.797 35.913 -4.744 1.00 57.54 O -ATOM 3945 CB ASP D 122 -41.285 37.008 -3.689 1.00 59.78 C -ATOM 3946 CG ASP D 122 -40.614 38.124 -4.479 1.00 63.11 C -ATOM 3947 OD1 ASP D 122 -39.488 38.539 -4.119 1.00 67.26 O -ATOM 3948 OD2 ASP D 122 -41.242 38.598 -5.459 1.00 54.43 O -ATOM 3949 N PRO D 123 -38.886 34.204 -3.283 1.00 51.13 N -ATOM 3950 CA PRO D 123 -37.913 33.343 -3.950 1.00 48.34 C -ATOM 3951 C PRO D 123 -38.332 33.111 -5.375 1.00 46.08 C -ATOM 3952 O PRO D 123 -39.510 33.241 -5.690 1.00 47.22 O -ATOM 3953 CB PRO D 123 -37.984 32.041 -3.152 1.00 49.01 C -ATOM 3954 CG PRO D 123 -38.484 32.464 -1.819 1.00 53.55 C -ATOM 3955 CD PRO D 123 -39.544 33.469 -2.183 1.00 50.89 C -ATOM 3956 N ALA D 124 -37.382 32.725 -6.216 1.00 44.29 N -ATOM 3957 CA ALA D 124 -37.666 32.477 -7.621 1.00 39.89 C -ATOM 3958 C ALA D 124 -36.414 32.028 -8.350 1.00 37.46 C -ATOM 3959 O ALA D 124 -35.306 32.421 -7.976 1.00 37.66 O -ATOM 3960 CB ALA D 124 -38.174 33.771 -8.261 1.00 38.91 C -ATOM 3961 N VAL D 125 -36.578 31.179 -9.358 1.00 33.58 N -ATOM 3962 CA VAL D 125 -35.438 30.771 -10.166 1.00 36.96 C -ATOM 3963 C VAL D 125 -35.768 31.302 -11.549 1.00 36.74 C -ATOM 3964 O VAL D 125 -36.890 31.126 -12.044 1.00 33.15 O -ATOM 3965 CB VAL D 125 -35.174 29.241 -10.194 1.00 39.22 C -ATOM 3966 CG1 VAL D 125 -35.031 28.698 -8.783 1.00 41.61 C -ATOM 3967 CG2 VAL D 125 -36.232 28.518 -10.969 1.00 47.03 C -ATOM 3968 N TYR D 126 -34.845 32.081 -12.099 1.00 36.23 N -ATOM 3969 CA TYR D 126 -35.020 32.687 -13.411 1.00 36.91 C -ATOM 3970 C TYR D 126 -33.941 32.160 -14.339 1.00 39.44 C -ATOM 3971 O TYR D 126 -32.824 31.876 -13.892 1.00 41.11 O -ATOM 3972 CB TYR D 126 -34.887 34.214 -13.318 1.00 31.88 C -ATOM 3973 CG TYR D 126 -35.896 34.896 -12.412 1.00 31.84 C -ATOM 3974 CD1 TYR D 126 -37.261 34.890 -12.718 1.00 32.53 C -ATOM 3975 CD2 TYR D 126 -35.482 35.566 -11.261 1.00 32.52 C -ATOM 3976 CE1 TYR D 126 -38.190 35.536 -11.903 1.00 34.09 C -ATOM 3977 CE2 TYR D 126 -36.400 36.217 -10.435 1.00 34.65 C -ATOM 3978 CZ TYR D 126 -37.754 36.201 -10.759 1.00 38.52 C -ATOM 3979 OH TYR D 126 -38.668 36.843 -9.938 1.00 39.14 O -ATOM 3980 N GLN D 127 -34.276 31.986 -15.615 1.00 41.90 N -ATOM 3981 CA GLN D 127 -33.289 31.524 -16.586 1.00 42.76 C -ATOM 3982 C GLN D 127 -32.874 32.764 -17.338 1.00 40.40 C -ATOM 3983 O GLN D 127 -33.717 33.527 -17.808 1.00 41.00 O -ATOM 3984 CB GLN D 127 -33.875 30.501 -17.549 1.00 49.43 C -ATOM 3985 CG GLN D 127 -32.816 29.618 -18.195 1.00 58.71 C -ATOM 3986 CD GLN D 127 -33.401 28.683 -19.230 1.00 67.85 C -ATOM 3987 OE1 GLN D 127 -33.729 29.110 -20.337 1.00 74.14 O -ATOM 3988 NE2 GLN D 127 -33.526 27.399 -18.886 1.00 68.40 N -ATOM 3989 N LEU D 128 -31.579 33.010 -17.376 1.00 38.16 N -ATOM 3990 CA LEU D 128 -31.055 34.181 -18.046 1.00 41.56 C -ATOM 3991 C LEU D 128 -30.258 33.648 -19.211 1.00 46.80 C -ATOM 3992 O LEU D 128 -29.612 32.602 -19.082 1.00 47.59 O -ATOM 3993 CB LEU D 128 -30.159 34.974 -17.090 1.00 47.70 C -ATOM 3994 CG LEU D 128 -30.832 35.609 -15.857 1.00 53.44 C -ATOM 3995 CD1 LEU D 128 -31.373 34.562 -14.890 1.00 47.98 C -ATOM 3996 CD2 LEU D 128 -29.842 36.494 -15.134 1.00 55.06 C -ATOM 3997 N ARG D 129 -30.303 34.350 -20.344 1.00 48.28 N -ATOM 3998 CA ARG D 129 -29.591 33.922 -21.547 1.00 47.73 C -ATOM 3999 C ARG D 129 -28.434 34.851 -21.906 1.00 45.29 C -ATOM 4000 O ARG D 129 -28.504 36.056 -21.663 1.00 43.32 O -ATOM 4001 CB ARG D 129 -30.563 33.795 -22.711 1.00 48.56 C -ATOM 4002 N ASP D 130 -27.352 34.264 -22.418 1.00 44.15 N -ATOM 4003 CA ASP D 130 -26.150 34.994 -22.821 1.00 47.63 C -ATOM 4004 C ASP D 130 -26.401 36.203 -23.731 1.00 52.97 C -ATOM 4005 O ASP D 130 -27.313 36.210 -24.564 1.00 56.13 O -ATOM 4006 CB ASP D 130 -25.150 34.040 -23.501 1.00 43.70 C -ATOM 4007 CG ASP D 130 -23.710 34.577 -23.509 1.00 42.97 C -ATOM 4008 OD1 ASP D 130 -23.495 35.799 -23.481 1.00 46.72 O -ATOM 4009 OD2 ASP D 130 -22.765 33.760 -23.551 1.00 47.32 O -ATOM 4010 N SER D 131 -25.622 37.252 -23.482 1.00 55.03 N -ATOM 4011 CA SER D 131 -25.668 38.474 -24.268 1.00 54.81 C -ATOM 4012 C SER D 131 -25.373 38.105 -25.710 1.00 56.18 C -ATOM 4013 O SER D 131 -25.831 38.772 -26.624 1.00 51.77 O -ATOM 4014 CB SER D 131 -24.591 39.440 -23.759 1.00 54.44 C -ATOM 4015 OG SER D 131 -24.235 40.401 -24.735 1.00 61.37 O -ATOM 4016 N LYS D 132 -24.622 37.015 -25.872 1.00 61.79 N -ATOM 4017 CA LYS D 132 -24.224 36.507 -27.180 1.00 73.44 C -ATOM 4018 C LYS D 132 -24.760 35.084 -27.447 1.00 78.11 C -ATOM 4019 O LYS D 132 -24.349 34.487 -28.467 1.00 87.04 O -ATOM 4020 CB LYS D 132 -22.694 36.536 -27.293 1.00 71.58 C -ATOM 4021 N SER D 137 -27.272 29.532 -21.026 1.00 66.01 N -ATOM 4022 CA SER D 137 -28.287 29.833 -19.975 1.00 61.13 C -ATOM 4023 C SER D 137 -27.807 29.475 -18.570 1.00 58.37 C -ATOM 4024 O SER D 137 -27.213 28.413 -18.358 1.00 59.57 O -ATOM 4025 CB SER D 137 -29.597 29.098 -20.286 1.00 55.52 C -ATOM 4026 N VAL D 138 -28.023 30.395 -17.634 1.00 55.30 N -ATOM 4027 CA VAL D 138 -27.667 30.191 -16.229 1.00 52.57 C -ATOM 4028 C VAL D 138 -28.930 30.447 -15.397 1.00 52.99 C -ATOM 4029 O VAL D 138 -29.728 31.319 -15.737 1.00 59.80 O -ATOM 4030 CB VAL D 138 -26.541 31.160 -15.750 1.00 47.68 C -ATOM 4031 CG1 VAL D 138 -25.250 30.906 -16.506 1.00 51.31 C -ATOM 4032 CG2 VAL D 138 -26.960 32.595 -15.920 1.00 42.99 C -ATOM 4033 N CYS D 139 -29.162 29.628 -14.380 1.00 49.68 N -ATOM 4034 CA CYS D 139 -30.312 29.782 -13.502 1.00 45.90 C -ATOM 4035 C CYS D 139 -29.979 30.628 -12.287 1.00 43.60 C -ATOM 4036 O CYS D 139 -29.036 30.327 -11.554 1.00 40.18 O -ATOM 4037 CB CYS D 139 -30.791 28.417 -13.031 1.00 51.84 C -ATOM 4038 SG CYS D 139 -31.311 27.348 -14.396 1.00 56.31 S -ATOM 4039 N LEU D 140 -30.764 31.674 -12.069 1.00 39.30 N -ATOM 4040 CA LEU D 140 -30.570 32.560 -10.934 1.00 36.02 C -ATOM 4041 C LEU D 140 -31.685 32.349 -9.909 1.00 41.82 C -ATOM 4042 O LEU D 140 -32.863 32.579 -10.214 1.00 45.30 O -ATOM 4043 CB LEU D 140 -30.564 34.015 -11.407 1.00 31.18 C -ATOM 4044 CG LEU D 140 -30.607 35.135 -10.357 1.00 34.63 C -ATOM 4045 CD1 LEU D 140 -29.252 35.313 -9.676 1.00 22.09 C -ATOM 4046 CD2 LEU D 140 -31.029 36.439 -11.030 1.00 36.88 C -ATOM 4047 N PHE D 141 -31.308 31.835 -8.732 1.00 42.10 N -ATOM 4048 CA PHE D 141 -32.214 31.588 -7.595 1.00 35.31 C -ATOM 4049 C PHE D 141 -31.962 32.814 -6.743 1.00 34.56 C -ATOM 4050 O PHE D 141 -30.878 32.974 -6.180 1.00 33.67 O -ATOM 4051 CB PHE D 141 -31.801 30.310 -6.839 1.00 33.64 C -ATOM 4052 CG PHE D 141 -32.610 30.022 -5.593 1.00 26.48 C -ATOM 4053 CD1 PHE D 141 -33.978 30.274 -5.547 1.00 32.37 C -ATOM 4054 CD2 PHE D 141 -31.995 29.471 -4.469 1.00 27.82 C -ATOM 4055 CE1 PHE D 141 -34.732 29.983 -4.399 1.00 30.01 C -ATOM 4056 CE2 PHE D 141 -32.733 29.174 -3.317 1.00 34.01 C -ATOM 4057 CZ PHE D 141 -34.109 29.432 -3.283 1.00 29.91 C -ATOM 4058 N THR D 142 -32.960 33.677 -6.648 1.00 32.75 N -ATOM 4059 CA THR D 142 -32.796 34.919 -5.928 1.00 32.06 C -ATOM 4060 C THR D 142 -34.027 35.271 -5.107 1.00 38.15 C -ATOM 4061 O THR D 142 -35.034 34.553 -5.139 1.00 37.45 O -ATOM 4062 CB THR D 142 -32.500 36.050 -6.961 1.00 30.99 C -ATOM 4063 OG1 THR D 142 -32.058 37.252 -6.302 1.00 33.63 O -ATOM 4064 CG2 THR D 142 -33.740 36.333 -7.832 1.00 20.85 C -ATOM 4065 N ASP D 143 -33.899 36.354 -4.335 1.00 44.05 N -ATOM 4066 CA ASP D 143 -34.958 36.915 -3.485 1.00 46.42 C -ATOM 4067 C ASP D 143 -35.431 36.031 -2.350 1.00 47.22 C -ATOM 4068 O ASP D 143 -36.451 36.333 -1.716 1.00 48.82 O -ATOM 4069 CB ASP D 143 -36.180 37.337 -4.329 1.00 50.12 C -ATOM 4070 CG ASP D 143 -35.900 38.533 -5.234 1.00 48.90 C -ATOM 4071 OD1 ASP D 143 -34.860 39.195 -5.038 1.00 50.13 O -ATOM 4072 OD2 ASP D 143 -36.726 38.808 -6.135 1.00 44.68 O -ATOM 4073 N PHE D 144 -34.719 34.934 -2.106 1.00 47.67 N -ATOM 4074 CA PHE D 144 -35.105 34.010 -1.043 1.00 49.81 C -ATOM 4075 C PHE D 144 -34.782 34.502 0.373 1.00 54.02 C -ATOM 4076 O PHE D 144 -34.138 35.552 0.550 1.00 53.74 O -ATOM 4077 CB PHE D 144 -34.566 32.582 -1.294 1.00 41.75 C -ATOM 4078 CG PHE D 144 -33.083 32.502 -1.511 1.00 38.59 C -ATOM 4079 CD1 PHE D 144 -32.210 32.378 -0.433 1.00 42.40 C -ATOM 4080 CD2 PHE D 144 -32.560 32.526 -2.799 1.00 39.81 C -ATOM 4081 CE1 PHE D 144 -30.833 32.281 -0.639 1.00 43.97 C -ATOM 4082 CE2 PHE D 144 -31.195 32.432 -3.019 1.00 39.49 C -ATOM 4083 CZ PHE D 144 -30.324 32.308 -1.936 1.00 42.26 C -ATOM 4084 N ASP D 145 -35.296 33.779 1.370 1.00 58.88 N -ATOM 4085 CA ASP D 145 -35.070 34.130 2.766 1.00 62.55 C -ATOM 4086 C ASP D 145 -33.716 33.612 3.220 1.00 62.23 C -ATOM 4087 O ASP D 145 -33.306 32.510 2.842 1.00 60.60 O -ATOM 4088 CB ASP D 145 -36.157 33.526 3.667 1.00 69.87 C -ATOM 4089 CG ASP D 145 -36.244 34.222 5.035 1.00 74.49 C -ATOM 4090 OD1 ASP D 145 -36.511 35.444 5.063 1.00 76.84 O -ATOM 4091 OD2 ASP D 145 -36.053 33.559 6.078 1.00 77.25 O -ATOM 4092 N SER D 146 -33.065 34.380 4.092 1.00 62.21 N -ATOM 4093 CA SER D 146 -31.758 34.029 4.652 1.00 59.13 C -ATOM 4094 C SER D 146 -31.851 32.761 5.522 1.00 53.53 C -ATOM 4095 O SER D 146 -30.895 32.345 6.177 1.00 45.77 O -ATOM 4096 CB SER D 146 -31.185 35.230 5.444 1.00 59.22 C -ATOM 4097 OG SER D 146 -30.930 36.361 4.608 1.00 54.44 O -ATOM 4098 N GLN D 147 -33.010 32.123 5.470 1.00 54.88 N -ATOM 4099 CA GLN D 147 -33.311 30.902 6.199 1.00 63.83 C -ATOM 4100 C GLN D 147 -32.951 29.694 5.340 1.00 64.71 C -ATOM 4101 O GLN D 147 -32.523 28.656 5.868 1.00 64.30 O -ATOM 4102 CB GLN D 147 -34.810 30.833 6.433 1.00 72.32 C -ATOM 4103 CG GLN D 147 -35.209 30.585 7.862 1.00 86.51 C -ATOM 4104 CD GLN D 147 -36.675 30.629 8.024 1.00 93.13 C -ATOM 4105 OE1 GLN D 147 -37.257 31.712 8.229 1.00 96.59 O -ATOM 4106 NE2 GLN D 147 -37.354 29.468 7.886 1.00 97.03 N -ATOM 4107 N THR D 148 -33.142 29.838 4.026 1.00 65.31 N -ATOM 4108 CA THR D 148 -32.857 28.800 3.040 1.00 61.63 C -ATOM 4109 C THR D 148 -31.365 28.678 2.803 1.00 63.43 C -ATOM 4110 O THR D 148 -30.715 29.631 2.406 1.00 65.00 O -ATOM 4111 CB THR D 148 -33.563 29.106 1.715 1.00 56.66 C -ATOM 4112 OG1 THR D 148 -34.901 29.515 1.999 1.00 53.75 O -ATOM 4113 CG2 THR D 148 -33.558 27.858 0.838 1.00 52.94 C -ATOM 4114 N ASN D 149 -30.841 27.460 2.961 1.00 66.27 N -ATOM 4115 CA ASN D 149 -29.391 27.221 2.859 1.00 65.41 C -ATOM 4116 C ASN D 149 -28.679 27.098 1.521 1.00 67.35 C -ATOM 4117 O ASN D 149 -27.504 27.439 1.443 1.00 73.65 O -ATOM 4118 CB ASN D 149 -28.966 26.085 3.773 1.00 57.49 C -ATOM 4119 CG ASN D 149 -28.979 26.485 5.230 1.00 54.53 C -ATOM 4120 OD1 ASN D 149 -28.130 27.266 5.683 1.00 46.13 O -ATOM 4121 ND2 ASN D 149 -29.922 25.942 5.980 1.00 53.63 N -ATOM 4122 N VAL D 150 -29.344 26.622 0.477 1.00 63.71 N -ATOM 4123 CA VAL D 150 -28.697 26.430 -0.851 1.00 60.47 C -ATOM 4124 C VAL D 150 -27.754 25.258 -0.924 1.00 60.31 C -ATOM 4125 O VAL D 150 -26.608 25.274 -0.457 1.00 57.89 O -ATOM 4126 CB VAL D 150 -28.032 27.688 -1.480 1.00 58.82 C -ATOM 4127 CG1 VAL D 150 -26.565 27.856 -1.088 1.00 59.73 C -ATOM 4128 CG2 VAL D 150 -28.116 27.548 -2.983 1.00 59.53 C -ATOM 4129 N SER D 151 -28.267 24.220 -1.535 1.00 64.15 N -ATOM 4130 CA SER D 151 -27.547 22.997 -1.721 1.00 67.91 C -ATOM 4131 C SER D 151 -26.740 23.032 -2.993 1.00 71.39 C -ATOM 4132 O SER D 151 -27.234 23.456 -4.040 1.00 73.52 O -ATOM 4133 CB SER D 151 -28.557 21.927 -1.848 1.00 66.78 C -ATOM 4134 OG SER D 151 -29.568 22.426 -2.735 1.00 68.02 O -ATOM 4135 N GLN D 152 -25.549 22.458 -2.936 1.00 75.03 N -ATOM 4136 CA GLN D 152 -24.696 22.463 -4.100 1.00 81.22 C -ATOM 4137 C GLN D 152 -25.041 21.375 -5.118 1.00 84.18 C -ATOM 4138 O GLN D 152 -26.044 20.661 -4.982 1.00 86.52 O -ATOM 4139 CB GLN D 152 -23.226 22.368 -3.696 1.00 80.93 C -ATOM 4140 CG GLN D 152 -22.351 23.154 -4.634 1.00 84.76 C -ATOM 4141 CD GLN D 152 -20.943 23.259 -4.163 1.00 87.61 C -ATOM 4142 OE1 GLN D 152 -20.148 22.338 -4.343 1.00 92.70 O -ATOM 4143 NE2 GLN D 152 -20.604 24.398 -3.573 1.00 88.99 N -ATOM 4144 N SER D 153 -24.224 21.308 -6.168 1.00 86.01 N -ATOM 4145 CA SER D 153 -24.355 20.347 -7.270 1.00 85.05 C -ATOM 4146 C SER D 153 -24.605 18.908 -6.793 1.00 82.01 C -ATOM 4147 O SER D 153 -24.042 18.485 -5.783 1.00 84.24 O -ATOM 4148 CB SER D 153 -23.055 20.401 -8.091 1.00 86.46 C -ATOM 4149 OG SER D 153 -22.311 21.586 -7.824 1.00 83.41 O -ATOM 4150 N LYS D 154 -25.434 18.163 -7.519 1.00 77.37 N -ATOM 4151 CA LYS D 154 -25.722 16.753 -7.198 1.00 70.55 C -ATOM 4152 C LYS D 154 -25.069 15.927 -8.292 1.00 67.13 C -ATOM 4153 O LYS D 154 -24.401 14.916 -8.043 1.00 63.76 O -ATOM 4154 CB LYS D 154 -27.251 16.520 -7.214 1.00 69.37 C -ATOM 4155 N ASP D 155 -25.158 16.455 -9.498 1.00 63.13 N -ATOM 4156 CA ASP D 155 -24.658 15.897 -10.711 1.00 57.75 C -ATOM 4157 C ASP D 155 -23.329 16.622 -10.906 1.00 55.60 C -ATOM 4158 O ASP D 155 -23.317 17.848 -11.051 1.00 55.83 O -ATOM 4159 CB ASP D 155 -25.599 16.316 -11.828 1.00 62.70 C -ATOM 4160 CG ASP D 155 -25.308 15.592 -13.109 1.00 65.37 C -ATOM 4161 OD1 ASP D 155 -24.112 15.452 -13.456 1.00 67.85 O -ATOM 4162 OD2 ASP D 155 -26.294 15.128 -13.755 1.00 60.67 O -ATOM 4163 N SER D 156 -22.246 15.878 -11.083 1.00 54.10 N -ATOM 4164 CA SER D 156 -20.917 16.479 -11.251 1.00 58.15 C -ATOM 4165 C SER D 156 -20.783 17.428 -12.451 1.00 60.82 C -ATOM 4166 O SER D 156 -19.890 18.270 -12.472 1.00 63.25 O -ATOM 4167 CB SER D 156 -19.864 15.363 -11.346 1.00 59.24 C -ATOM 4168 N ASP D 157 -21.671 17.285 -13.434 1.00 61.98 N -ATOM 4169 CA ASP D 157 -21.641 18.114 -14.650 1.00 61.23 C -ATOM 4170 C ASP D 157 -22.595 19.306 -14.587 1.00 52.20 C -ATOM 4171 O ASP D 157 -23.035 19.805 -15.619 1.00 48.42 O -ATOM 4172 CB ASP D 157 -22.002 17.270 -15.889 1.00 72.42 C -ATOM 4173 CG ASP D 157 -21.056 16.103 -16.119 1.00 81.51 C -ATOM 4174 OD1 ASP D 157 -19.847 16.218 -15.761 1.00 87.89 O -ATOM 4175 OD2 ASP D 157 -21.533 15.077 -16.688 1.00 83.64 O -ATOM 4176 N VAL D 158 -22.940 19.731 -13.381 1.00 44.54 N -ATOM 4177 CA VAL D 158 -23.862 20.838 -13.204 1.00 46.01 C -ATOM 4178 C VAL D 158 -23.342 21.668 -12.049 1.00 47.36 C -ATOM 4179 O VAL D 158 -23.242 21.150 -10.935 1.00 53.09 O -ATOM 4180 CB VAL D 158 -25.263 20.323 -12.817 1.00 40.31 C -ATOM 4181 CG1 VAL D 158 -26.278 21.394 -13.032 1.00 46.43 C -ATOM 4182 CG2 VAL D 158 -25.621 19.126 -13.622 1.00 38.69 C -ATOM 4183 N TYR D 159 -23.075 22.954 -12.284 1.00 43.27 N -ATOM 4184 CA TYR D 159 -22.525 23.820 -11.239 1.00 41.09 C -ATOM 4185 C TYR D 159 -23.475 24.767 -10.506 1.00 37.95 C -ATOM 4186 O TYR D 159 -24.263 25.472 -11.114 1.00 36.45 O -ATOM 4187 CB TYR D 159 -21.343 24.608 -11.796 1.00 43.80 C -ATOM 4188 CG TYR D 159 -20.383 23.731 -12.543 1.00 43.92 C -ATOM 4189 CD1 TYR D 159 -19.431 22.974 -11.865 1.00 41.04 C -ATOM 4190 CD2 TYR D 159 -20.486 23.580 -13.920 1.00 46.30 C -ATOM 4191 CE1 TYR D 159 -18.618 22.075 -12.536 1.00 45.33 C -ATOM 4192 CE2 TYR D 159 -19.668 22.678 -14.609 1.00 47.22 C -ATOM 4193 CZ TYR D 159 -18.740 21.926 -13.911 1.00 42.90 C -ATOM 4194 OH TYR D 159 -17.970 20.997 -14.583 1.00 44.67 O -ATOM 4195 N ILE D 160 -23.371 24.793 -9.185 1.00 38.17 N -ATOM 4196 CA ILE D 160 -24.211 25.660 -8.359 1.00 37.75 C -ATOM 4197 C ILE D 160 -23.257 26.436 -7.463 1.00 37.94 C -ATOM 4198 O ILE D 160 -22.303 25.861 -6.939 1.00 39.89 O -ATOM 4199 CB ILE D 160 -25.217 24.843 -7.475 1.00 33.42 C -ATOM 4200 CG1 ILE D 160 -25.982 23.821 -8.327 1.00 29.82 C -ATOM 4201 CG2 ILE D 160 -26.216 25.782 -6.806 1.00 31.46 C -ATOM 4202 CD1 ILE D 160 -27.122 23.122 -7.599 1.00 22.62 C -ATOM 4203 N THR D 161 -23.486 27.737 -7.312 1.00 37.40 N -ATOM 4204 CA THR D 161 -22.623 28.574 -6.486 1.00 37.67 C -ATOM 4205 C THR D 161 -23.173 28.705 -5.067 1.00 41.30 C -ATOM 4206 O THR D 161 -24.354 28.438 -4.830 1.00 40.15 O -ATOM 4207 CB THR D 161 -22.464 29.976 -7.104 1.00 35.98 C -ATOM 4208 OG1 THR D 161 -23.740 30.624 -7.191 1.00 35.51 O -ATOM 4209 CG2 THR D 161 -21.890 29.866 -8.496 1.00 38.05 C -ATOM 4210 N ASP D 162 -22.313 29.086 -4.123 1.00 45.51 N -ATOM 4211 CA ASP D 162 -22.739 29.264 -2.737 1.00 52.05 C -ATOM 4212 C ASP D 162 -23.423 30.625 -2.602 1.00 52.64 C -ATOM 4213 O ASP D 162 -22.952 31.625 -3.162 1.00 51.94 O -ATOM 4214 CB ASP D 162 -21.556 29.124 -1.759 1.00 54.63 C -ATOM 4215 CG ASP D 162 -21.236 27.659 -1.424 1.00 60.83 C -ATOM 4216 OD1 ASP D 162 -22.178 26.827 -1.353 1.00 64.70 O -ATOM 4217 OD2 ASP D 162 -20.046 27.333 -1.219 1.00 63.17 O -ATOM 4218 N LYS D 163 -24.559 30.634 -1.906 1.00 51.38 N -ATOM 4219 CA LYS D 163 -25.350 31.844 -1.708 1.00 50.13 C -ATOM 4220 C LYS D 163 -24.562 33.057 -1.206 1.00 49.01 C -ATOM 4221 O LYS D 163 -23.632 32.922 -0.412 1.00 52.16 O -ATOM 4222 CB LYS D 163 -26.533 31.551 -0.778 1.00 45.56 C -ATOM 4223 N THR D 164 -24.915 34.232 -1.724 1.00 48.52 N -ATOM 4224 CA THR D 164 -24.301 35.495 -1.329 1.00 46.88 C -ATOM 4225 C THR D 164 -25.408 36.529 -1.167 1.00 44.46 C -ATOM 4226 O THR D 164 -26.560 36.294 -1.520 1.00 46.08 O -ATOM 4227 CB THR D 164 -23.265 36.031 -2.366 1.00 49.98 C -ATOM 4228 OG1 THR D 164 -23.914 36.323 -3.611 1.00 53.10 O -ATOM 4229 CG2 THR D 164 -22.145 35.033 -2.588 1.00 53.67 C -ATOM 4230 N VAL D 165 -25.040 37.700 -0.681 1.00 44.27 N -ATOM 4231 CA VAL D 165 -26.010 38.753 -0.457 1.00 42.04 C -ATOM 4232 C VAL D 165 -25.596 40.038 -1.174 1.00 39.80 C -ATOM 4233 O VAL D 165 -24.454 40.465 -1.026 1.00 40.25 O -ATOM 4234 CB VAL D 165 -26.092 39.051 1.052 1.00 40.17 C -ATOM 4235 CG1 VAL D 165 -27.257 39.979 1.347 1.00 42.10 C -ATOM 4236 CG2 VAL D 165 -26.210 37.759 1.837 1.00 37.73 C -ATOM 4237 N LEU D 166 -26.504 40.644 -1.948 1.00 36.12 N -ATOM 4238 CA LEU D 166 -26.212 41.913 -2.634 1.00 35.16 C -ATOM 4239 C LEU D 166 -27.038 43.084 -2.093 1.00 34.88 C -ATOM 4240 O LEU D 166 -28.250 42.984 -1.896 1.00 32.93 O -ATOM 4241 CB LEU D 166 -26.353 41.795 -4.163 1.00 39.17 C -ATOM 4242 CG LEU D 166 -27.658 41.839 -4.958 1.00 36.92 C -ATOM 4243 CD1 LEU D 166 -28.226 43.250 -5.005 1.00 34.01 C -ATOM 4244 CD2 LEU D 166 -27.337 41.367 -6.368 1.00 42.72 C -ATOM 4245 N ASP D 167 -26.363 44.201 -1.886 1.00 37.14 N -ATOM 4246 CA ASP D 167 -26.974 45.383 -1.343 1.00 43.19 C -ATOM 4247 C ASP D 167 -27.144 46.541 -2.331 1.00 46.77 C -ATOM 4248 O ASP D 167 -26.345 46.735 -3.243 1.00 48.39 O -ATOM 4249 CB ASP D 167 -26.134 45.795 -0.130 1.00 52.35 C -ATOM 4250 CG ASP D 167 -26.735 46.939 0.647 1.00 63.33 C -ATOM 4251 OD1 ASP D 167 -27.883 46.806 1.123 1.00 63.47 O -ATOM 4252 OD2 ASP D 167 -26.031 47.958 0.798 1.00 73.27 O -ATOM 4253 N MET D 168 -28.218 47.308 -2.162 1.00 51.15 N -ATOM 4254 CA MET D 168 -28.551 48.450 -3.007 1.00 55.32 C -ATOM 4255 C MET D 168 -28.832 49.684 -2.187 1.00 61.27 C -ATOM 4256 O MET D 168 -29.685 49.691 -1.305 1.00 64.15 O -ATOM 4257 CB MET D 168 -29.773 48.106 -3.875 1.00 52.39 C -ATOM 4258 CG MET D 168 -29.570 46.874 -4.787 1.00 51.76 C -ATOM 4259 SD MET D 168 -31.012 46.128 -5.693 1.00 48.79 S -ATOM 4260 CE MET D 168 -31.373 47.321 -6.975 1.00 51.56 C -ATOM 4261 N ARG D 169 -28.292 50.820 -2.623 1.00 68.83 N -ATOM 4262 CA ARG D 169 -28.423 52.046 -1.865 1.00 77.57 C -ATOM 4263 C ARG D 169 -29.683 52.923 -1.972 1.00 84.12 C -ATOM 4264 O ARG D 169 -29.593 54.047 -2.442 1.00 87.01 O -ATOM 4265 CB ARG D 169 -27.187 52.857 -2.068 1.00 77.60 C -ATOM 4266 N PHE D 173 -32.166 47.924 -0.855 1.00 50.31 N -ATOM 4267 CA PHE D 173 -32.683 46.550 -1.071 1.00 43.92 C -ATOM 4268 C PHE D 173 -31.570 45.546 -0.859 1.00 41.57 C -ATOM 4269 O PHE D 173 -30.449 45.751 -1.303 1.00 43.03 O -ATOM 4270 CB PHE D 173 -33.192 46.412 -2.503 1.00 48.64 C -ATOM 4271 CG PHE D 173 -33.940 45.152 -2.755 1.00 52.10 C -ATOM 4272 CD1 PHE D 173 -35.282 45.073 -2.426 1.00 56.08 C -ATOM 4273 CD2 PHE D 173 -33.311 44.044 -3.309 1.00 53.88 C -ATOM 4274 CE1 PHE D 173 -35.996 43.913 -2.639 1.00 61.95 C -ATOM 4275 CE2 PHE D 173 -34.013 42.876 -3.530 1.00 57.32 C -ATOM 4276 CZ PHE D 173 -35.360 42.806 -3.195 1.00 61.53 C -ATOM 4277 N LYS D 174 -31.887 44.465 -0.175 1.00 37.62 N -ATOM 4278 CA LYS D 174 -30.924 43.414 0.050 1.00 35.95 C -ATOM 4279 C LYS D 174 -31.560 42.163 -0.523 1.00 38.43 C -ATOM 4280 O LYS D 174 -32.765 41.938 -0.323 1.00 36.33 O -ATOM 4281 CB LYS D 174 -30.669 43.227 1.539 1.00 35.55 C -ATOM 4282 CG LYS D 174 -29.821 44.304 2.144 1.00 36.99 C -ATOM 4283 CD LYS D 174 -29.064 43.774 3.350 1.00 33.69 C -ATOM 4284 CE LYS D 174 -27.996 44.774 3.770 1.00 39.27 C -ATOM 4285 NZ LYS D 174 -26.855 44.149 4.475 1.00 32.91 N -ATOM 4286 N SER D 175 -30.797 41.402 -1.307 1.00 38.43 N -ATOM 4287 CA SER D 175 -31.305 40.153 -1.888 1.00 33.76 C -ATOM 4288 C SER D 175 -30.330 38.966 -1.790 1.00 29.98 C -ATOM 4289 O SER D 175 -29.106 39.141 -1.718 1.00 23.43 O -ATOM 4290 CB SER D 175 -31.735 40.369 -3.335 1.00 32.87 C -ATOM 4291 OG SER D 175 -30.692 40.962 -4.090 1.00 50.52 O -ATOM 4292 N ASN D 176 -30.897 37.762 -1.752 1.00 36.06 N -ATOM 4293 CA ASN D 176 -30.119 36.520 -1.660 1.00 42.68 C -ATOM 4294 C ASN D 176 -30.126 35.839 -3.024 1.00 44.84 C -ATOM 4295 O ASN D 176 -31.207 35.629 -3.603 1.00 44.50 O -ATOM 4296 CB ASN D 176 -30.746 35.568 -0.632 1.00 48.45 C -ATOM 4297 CG ASN D 176 -30.317 35.862 0.794 1.00 53.33 C -ATOM 4298 OD1 ASN D 176 -29.127 36.046 1.075 1.00 58.07 O -ATOM 4299 ND2 ASN D 176 -31.278 35.859 1.711 1.00 47.24 N -ATOM 4300 N SER D 177 -28.944 35.465 -3.519 1.00 43.21 N -ATOM 4301 CA SER D 177 -28.827 34.826 -4.827 1.00 38.91 C -ATOM 4302 C SER D 177 -27.806 33.683 -4.901 1.00 36.51 C -ATOM 4303 O SER D 177 -26.813 33.674 -4.184 1.00 38.37 O -ATOM 4304 CB SER D 177 -28.532 35.897 -5.893 1.00 38.53 C -ATOM 4305 OG SER D 177 -27.695 36.941 -5.393 1.00 43.60 O -ATOM 4306 N ALA D 178 -28.084 32.699 -5.748 1.00 33.63 N -ATOM 4307 CA ALA D 178 -27.197 31.550 -5.962 1.00 30.68 C -ATOM 4308 C ALA D 178 -27.385 31.219 -7.430 1.00 28.28 C -ATOM 4309 O ALA D 178 -28.511 31.250 -7.912 1.00 30.80 O -ATOM 4310 CB ALA D 178 -27.624 30.380 -5.101 1.00 25.43 C -ATOM 4311 N VAL D 179 -26.304 30.974 -8.159 1.00 32.17 N -ATOM 4312 CA VAL D 179 -26.424 30.679 -9.593 1.00 39.76 C -ATOM 4313 C VAL D 179 -26.153 29.213 -9.987 1.00 40.90 C -ATOM 4314 O VAL D 179 -25.279 28.559 -9.414 1.00 41.39 O -ATOM 4315 CB VAL D 179 -25.521 31.627 -10.441 1.00 39.55 C -ATOM 4316 CG1 VAL D 179 -25.622 31.268 -11.898 1.00 43.06 C -ATOM 4317 CG2 VAL D 179 -25.926 33.091 -10.252 1.00 36.85 C -ATOM 4318 N ALA D 180 -26.907 28.716 -10.970 1.00 42.60 N -ATOM 4319 CA ALA D 180 -26.769 27.347 -11.476 1.00 43.08 C -ATOM 4320 C ALA D 180 -26.621 27.279 -13.013 1.00 45.56 C -ATOM 4321 O ALA D 180 -27.407 27.867 -13.757 1.00 42.61 O -ATOM 4322 CB ALA D 180 -27.955 26.505 -11.038 1.00 37.83 C -ATOM 4323 N TRP D 181 -25.613 26.550 -13.482 1.00 48.44 N -ATOM 4324 CA TRP D 181 -25.374 26.382 -14.919 1.00 49.79 C -ATOM 4325 C TRP D 181 -24.743 25.015 -15.218 1.00 52.29 C -ATOM 4326 O TRP D 181 -24.040 24.438 -14.383 1.00 50.64 O -ATOM 4327 CB TRP D 181 -24.472 27.496 -15.462 1.00 48.77 C -ATOM 4328 CG TRP D 181 -23.032 27.345 -15.103 1.00 41.62 C -ATOM 4329 CD1 TRP D 181 -22.085 26.669 -15.815 1.00 45.22 C -ATOM 4330 CD2 TRP D 181 -22.371 27.868 -13.953 1.00 44.06 C -ATOM 4331 NE1 TRP D 181 -20.877 26.737 -15.172 1.00 47.99 N -ATOM 4332 CE2 TRP D 181 -21.017 27.470 -14.028 1.00 48.59 C -ATOM 4333 CE3 TRP D 181 -22.790 28.641 -12.855 1.00 46.73 C -ATOM 4334 CZ2 TRP D 181 -20.076 27.816 -13.048 1.00 48.93 C -ATOM 4335 CZ3 TRP D 181 -21.852 28.985 -11.879 1.00 47.38 C -ATOM 4336 CH2 TRP D 181 -20.510 28.572 -11.984 1.00 48.31 C -ATOM 4337 N SER D 182 -24.959 24.523 -16.430 1.00 57.61 N -ATOM 4338 CA SER D 182 -24.423 23.235 -16.852 1.00 62.28 C -ATOM 4339 C SER D 182 -24.485 23.189 -18.365 1.00 69.51 C -ATOM 4340 O SER D 182 -25.449 23.678 -18.963 1.00 74.34 O -ATOM 4341 CB SER D 182 -25.278 22.100 -16.279 1.00 57.83 C -ATOM 4342 OG SER D 182 -24.935 20.840 -16.832 1.00 51.05 O -ATOM 4343 N ASN D 183 -23.446 22.648 -18.991 1.00 74.45 N -ATOM 4344 CA ASN D 183 -23.451 22.532 -20.441 1.00 77.22 C -ATOM 4345 C ASN D 183 -24.020 21.173 -20.801 1.00 78.05 C -ATOM 4346 O ASN D 183 -23.341 20.337 -21.392 1.00 75.90 O -ATOM 4347 CB ASN D 183 -22.062 22.749 -21.069 1.00 78.72 C -ATOM 4348 CG ASN D 183 -20.945 22.109 -20.276 1.00 81.68 C -ATOM 4349 OD1 ASN D 183 -19.868 22.688 -20.136 1.00 81.25 O -ATOM 4350 ND2 ASN D 183 -21.188 20.917 -19.751 1.00 85.61 N -ATOM 4351 N LYS D 184 -25.254 20.943 -20.366 1.00 82.31 N -ATOM 4352 CA LYS D 184 -25.947 19.704 -20.654 1.00 89.58 C -ATOM 4353 C LYS D 184 -27.076 19.992 -21.635 1.00 93.65 C -ATOM 4354 O LYS D 184 -27.355 21.157 -21.917 1.00 97.52 O -ATOM 4355 CB LYS D 184 -26.418 19.014 -19.372 1.00 89.90 C -ATOM 4356 CG LYS D 184 -25.305 18.175 -18.755 1.00 91.28 C -ATOM 4357 CD LYS D 184 -25.813 17.322 -17.629 1.00 96.76 C -ATOM 4358 CE LYS D 184 -24.983 16.061 -17.482 1.00 99.09 C -ATOM 4359 NZ LYS D 184 -25.551 15.211 -16.392 1.00 99.99 N -ATOM 4360 N SER D 185 -27.755 18.948 -22.115 1.00 96.10 N -ATOM 4361 CA SER D 185 -28.809 19.070 -23.134 1.00 97.68 C -ATOM 4362 C SER D 185 -30.073 19.787 -22.664 1.00 99.70 C -ATOM 4363 O SER D 185 -30.337 20.928 -23.065 1.00100.00 O -ATOM 4364 CB SER D 185 -29.148 17.691 -23.726 1.00 97.78 C -ATOM 4365 N ASP D 186 -30.849 19.125 -21.805 1.00 99.91 N -ATOM 4366 CA ASP D 186 -32.106 19.671 -21.279 1.00 99.98 C -ATOM 4367 C ASP D 186 -32.085 19.975 -19.783 1.00 99.53 C -ATOM 4368 O ASP D 186 -33.094 19.825 -19.083 1.00100.00 O -ATOM 4369 CB ASP D 186 -33.323 18.777 -21.649 1.00100.00 C -ATOM 4370 N PHE D 187 -30.896 20.286 -19.264 1.00 95.55 N -ATOM 4371 CA PHE D 187 -30.737 20.647 -17.853 1.00 88.61 C -ATOM 4372 C PHE D 187 -31.633 21.869 -17.881 1.00 85.15 C -ATOM 4373 O PHE D 187 -31.536 22.666 -18.811 1.00 88.50 O -ATOM 4374 CB PHE D 187 -29.284 21.056 -17.575 1.00 88.19 C -ATOM 4375 CG PHE D 187 -29.130 22.327 -16.736 1.00 88.69 C -ATOM 4376 CD1 PHE D 187 -29.482 23.577 -17.251 1.00 91.19 C -ATOM 4377 CD2 PHE D 187 -28.585 22.275 -15.457 1.00 90.75 C -ATOM 4378 CE1 PHE D 187 -29.308 24.737 -16.524 1.00 93.48 C -ATOM 4379 CE2 PHE D 187 -28.401 23.450 -14.708 1.00 92.07 C -ATOM 4380 CZ PHE D 187 -28.757 24.676 -15.241 1.00 95.50 C -ATOM 4381 N ALA D 188 -32.493 22.026 -16.900 1.00 79.00 N -ATOM 4382 CA ALA D 188 -33.401 23.156 -16.879 1.00 73.74 C -ATOM 4383 C ALA D 188 -33.474 23.715 -15.502 1.00 71.47 C -ATOM 4384 O ALA D 188 -33.297 22.982 -14.532 1.00 66.77 O -ATOM 4385 CB ALA D 188 -34.790 22.769 -17.402 1.00 77.69 C -ATOM 4386 N CYS D 189 -33.645 25.029 -15.424 1.00 72.83 N -ATOM 4387 CA CYS D 189 -33.776 25.720 -14.155 1.00 75.94 C -ATOM 4388 C CYS D 189 -34.670 24.924 -13.219 1.00 79.23 C -ATOM 4389 O CYS D 189 -34.296 24.630 -12.070 1.00 79.10 O -ATOM 4390 CB CYS D 189 -34.301 27.153 -14.350 1.00 69.93 C -ATOM 4391 SG CYS D 189 -33.020 28.229 -15.050 1.00 65.49 S -ATOM 4392 N ALA D 190 -35.784 24.462 -13.779 1.00 80.24 N -ATOM 4393 CA ALA D 190 -36.768 23.677 -13.050 1.00 80.12 C -ATOM 4394 C ALA D 190 -36.116 22.755 -12.015 1.00 80.70 C -ATOM 4395 O ALA D 190 -36.402 22.869 -10.825 1.00 80.38 O -ATOM 4396 CB ALA D 190 -37.607 22.858 -14.044 1.00 80.34 C -ATOM 4397 N ASN D 191 -35.221 21.877 -12.470 1.00 82.13 N -ATOM 4398 CA ASN D 191 -34.532 20.946 -11.586 1.00 82.63 C -ATOM 4399 C ASN D 191 -33.326 21.571 -10.897 1.00 83.43 C -ATOM 4400 O ASN D 191 -33.149 21.396 -9.699 1.00 88.93 O -ATOM 4401 CB ASN D 191 -34.106 19.715 -12.353 1.00 82.43 C -ATOM 4402 N ALA D 192 -32.497 22.276 -11.663 1.00 81.09 N -ATOM 4403 CA ALA D 192 -31.287 22.937 -11.160 1.00 77.91 C -ATOM 4404 C ALA D 192 -31.019 22.894 -9.653 1.00 78.40 C -ATOM 4405 O ALA D 192 -30.212 22.081 -9.191 1.00 80.50 O -ATOM 4406 CB ALA D 192 -31.232 24.360 -11.673 1.00 74.99 C -ATOM 4407 N PHE D 193 -31.720 23.738 -8.899 1.00 78.94 N -ATOM 4408 CA PHE D 193 -31.566 23.798 -7.457 1.00 78.98 C -ATOM 4409 C PHE D 193 -32.434 22.782 -6.738 1.00 79.32 C -ATOM 4410 O PHE D 193 -33.446 23.140 -6.135 1.00 78.70 O -ATOM 4411 CB PHE D 193 -31.876 25.213 -6.920 1.00 78.59 C -ATOM 4412 CG PHE D 193 -31.071 26.310 -7.563 1.00 78.05 C -ATOM 4413 CD1 PHE D 193 -31.487 26.886 -8.766 1.00 77.93 C -ATOM 4414 CD2 PHE D 193 -29.880 26.747 -6.991 1.00 74.62 C -ATOM 4415 CE1 PHE D 193 -30.725 27.870 -9.391 1.00 71.69 C -ATOM 4416 CE2 PHE D 193 -29.113 27.728 -7.605 1.00 70.78 C -ATOM 4417 CZ PHE D 193 -29.536 28.288 -8.808 1.00 73.94 C -ATOM 4418 N ASN D 194 -32.046 21.518 -6.857 1.00 82.55 N -ATOM 4419 CA ASN D 194 -32.739 20.441 -6.208 1.00 83.64 C -ATOM 4420 C ASN D 194 -32.038 20.164 -4.856 1.00 84.70 C -ATOM 4421 O ASN D 194 -30.901 19.756 -4.817 1.00 84.31 O -ATOM 4422 CB ASN D 194 -32.769 19.183 -7.107 1.00 81.53 C -ATOM 4423 N ASN D 195 -32.737 20.555 -3.805 1.00 84.45 N -ATOM 4424 CA ASN D 195 -32.452 20.462 -2.334 1.00 81.06 C -ATOM 4425 C ASN D 195 -32.842 21.824 -1.670 1.00 80.91 C -ATOM 4426 O ASN D 195 -32.434 22.901 -2.138 1.00 74.80 O -ATOM 4427 CB ASN D 195 -30.972 20.270 -1.948 1.00 77.97 C -ATOM 4428 CG ASN D 195 -30.252 19.107 -2.665 1.00 73.56 C -ATOM 4429 OD1 ASN D 195 -30.674 17.935 -2.666 1.00 78.93 O -ATOM 4430 ND2 ASN D 195 -29.120 19.426 -3.275 1.00 72.56 N -ATOM 4431 N SER D 196 -33.791 21.760 -0.733 1.00 86.15 N -ATOM 4432 CA SER D 196 -34.333 22.876 0.115 1.00 90.82 C -ATOM 4433 C SER D 196 -34.782 24.271 -0.388 1.00 93.03 C -ATOM 4434 O SER D 196 -34.019 25.229 -0.298 1.00 97.67 O -ATOM 4435 CB SER D 196 -33.441 23.095 1.369 1.00 92.60 C -ATOM 4436 OG SER D 196 -32.269 23.862 1.110 1.00 93.13 O -ATOM 4437 N ILE D 197 -36.066 24.417 -0.726 1.00 93.52 N -ATOM 4438 CA ILE D 197 -36.636 25.682 -1.234 1.00 91.13 C -ATOM 4439 C ILE D 197 -38.173 25.660 -1.329 1.00 92.27 C -ATOM 4440 O ILE D 197 -38.812 24.648 -1.041 1.00 92.84 O -ATOM 4441 CB ILE D 197 -36.165 26.006 -2.701 1.00 89.63 C -ATOM 4442 CG1 ILE D 197 -36.731 24.983 -3.701 1.00 87.35 C -ATOM 4443 CG2 ILE D 197 -34.656 26.056 -2.833 1.00 83.45 C -ATOM 4444 CD1 ILE D 197 -36.275 23.544 -3.488 1.00 87.71 C -ATOM 4445 N ILE D 198 -38.762 26.801 -1.678 1.00 92.29 N -ATOM 4446 CA ILE D 198 -40.201 26.885 -1.938 1.00 94.21 C -ATOM 4447 C ILE D 198 -40.501 28.043 -2.904 1.00 97.08 C -ATOM 4448 O ILE D 198 -39.765 29.034 -2.931 1.00 98.58 O -ATOM 4449 CB ILE D 198 -41.101 27.109 -0.685 1.00 93.14 C -ATOM 4450 CG1 ILE D 198 -41.249 25.844 0.169 1.00 93.17 C -ATOM 4451 CG2 ILE D 198 -42.527 27.456 -1.133 1.00 87.92 C -ATOM 4452 CD1 ILE D 198 -42.482 25.918 1.163 1.00 94.58 C -ATOM 4453 N PRO D 199 -41.516 27.836 -3.746 1.00 97.56 N -ATOM 4454 CA PRO D 199 -42.060 28.829 -4.687 1.00 93.12 C -ATOM 4455 C PRO D 199 -41.326 29.458 -5.885 1.00 87.54 C -ATOM 4456 O PRO D 199 -40.127 29.308 -6.085 1.00 85.19 O -ATOM 4457 CB PRO D 199 -42.820 29.937 -3.893 1.00 91.11 C -ATOM 4458 N GLU D 200 -42.175 30.077 -6.703 1.00 82.44 N -ATOM 4459 CA GLU D 200 -41.880 30.802 -7.937 1.00 79.45 C -ATOM 4460 C GLU D 200 -40.942 30.244 -8.992 1.00 79.68 C -ATOM 4461 O GLU D 200 -39.829 30.715 -9.211 1.00 79.21 O -ATOM 4462 CB GLU D 200 -41.622 32.281 -7.673 1.00 76.70 C -ATOM 4463 CG GLU D 200 -41.372 33.150 -8.940 1.00 77.64 C -ATOM 4464 CD GLU D 200 -42.474 33.111 -10.018 1.00 78.52 C -ATOM 4465 OE1 GLU D 200 -43.504 32.419 -9.859 1.00 83.79 O -ATOM 4466 OE2 GLU D 200 -42.298 33.789 -11.055 1.00 73.95 O -ATOM 4467 N ASP D 201 -41.460 29.256 -9.699 1.00 80.39 N -ATOM 4468 CA ASP D 201 -40.713 28.665 -10.783 1.00 77.70 C -ATOM 4469 C ASP D 201 -41.437 29.242 -11.972 1.00 75.24 C -ATOM 4470 O ASP D 201 -42.552 28.845 -12.309 1.00 72.22 O -ATOM 4471 CB ASP D 201 -40.762 27.145 -10.741 1.00 82.30 C -ATOM 4472 CG ASP D 201 -39.673 26.538 -9.852 1.00 85.43 C -ATOM 4473 OD1 ASP D 201 -38.734 27.240 -9.398 1.00 85.58 O -ATOM 4474 OD2 ASP D 201 -39.741 25.312 -9.614 1.00 90.95 O -ATOM 4475 N THR D 202 -40.864 30.335 -12.437 1.00 77.86 N -ATOM 4476 CA THR D 202 -41.356 31.073 -13.568 1.00 83.31 C -ATOM 4477 C THR D 202 -41.613 30.093 -14.729 1.00 86.51 C -ATOM 4478 O THR D 202 -41.253 28.918 -14.629 1.00 87.78 O -ATOM 4479 CB THR D 202 -40.323 32.184 -13.889 1.00 86.26 C -ATOM 4480 OG1 THR D 202 -40.989 33.439 -14.087 1.00 89.59 O -ATOM 4481 CG2 THR D 202 -39.459 31.828 -15.088 1.00 93.35 C -ATOM 4482 N PHE D 203 -42.221 30.569 -15.816 1.00 91.98 N -ATOM 4483 CA PHE D 203 -42.578 29.735 -16.976 1.00 96.33 C -ATOM 4484 C PHE D 203 -41.585 29.867 -18.147 1.00 97.91 C -ATOM 4485 O PHE D 203 -41.571 30.932 -18.798 1.00 99.48 O -ATOM 4486 CB PHE D 203 -44.009 30.068 -17.460 1.00 97.85 C -ATOM 4487 CG PHE D 203 -44.935 30.548 -16.366 1.00 99.98 C -ATOM 4488 CD1 PHE D 203 -44.901 31.886 -15.942 1.00 99.99 C -ATOM 4489 CD2 PHE D 203 -45.802 29.658 -15.715 1.00 99.96 C -ATOM 4490 CE1 PHE D 203 -45.708 32.335 -14.888 1.00 99.98 C -ATOM 4491 CE2 PHE D 203 -46.619 30.092 -14.655 1.00 99.96 C -ATOM 4492 CZ PHE D 203 -46.566 31.438 -14.237 1.00100.00 C -TER 4493 PHE D 203 -ATOM 4494 N GLY E 3 2.020 51.339 6.101 1.00 47.87 N -ATOM 4495 CA GLY E 3 1.624 49.969 6.579 1.00 41.06 C -ATOM 4496 C GLY E 3 2.588 48.900 6.095 1.00 37.31 C -ATOM 4497 O GLY E 3 3.743 49.209 5.795 1.00 37.42 O -ATOM 4498 N VAL E 4 2.137 47.645 6.087 1.00 34.49 N -ATOM 4499 CA VAL E 4 2.953 46.532 5.607 1.00 36.27 C -ATOM 4500 C VAL E 4 2.482 46.156 4.203 1.00 39.12 C -ATOM 4501 O VAL E 4 1.310 45.798 3.979 1.00 42.39 O -ATOM 4502 CB VAL E 4 2.913 45.300 6.565 1.00 36.43 C -ATOM 4503 CG1 VAL E 4 1.530 45.083 7.076 1.00 47.49 C -ATOM 4504 CG2 VAL E 4 3.416 44.038 5.860 1.00 31.82 C -ATOM 4505 N THR E 5 3.392 46.313 3.252 1.00 33.65 N -ATOM 4506 CA THR E 5 3.120 46.021 1.864 1.00 28.54 C -ATOM 4507 C THR E 5 3.846 44.753 1.466 1.00 26.46 C -ATOM 4508 O THR E 5 4.912 44.452 1.980 1.00 31.52 O -ATOM 4509 CB THR E 5 3.603 47.195 0.961 1.00 26.70 C -ATOM 4510 OG1 THR E 5 4.944 47.550 1.305 1.00 33.36 O -ATOM 4511 CG2 THR E 5 2.746 48.425 1.165 1.00 24.23 C -ATOM 4512 N GLN E 6 3.252 43.995 0.565 1.00 32.48 N -ATOM 4513 CA GLN E 6 3.870 42.774 0.070 1.00 34.86 C -ATOM 4514 C GLN E 6 3.490 42.530 -1.396 1.00 33.68 C -ATOM 4515 O GLN E 6 2.324 42.658 -1.801 1.00 33.27 O -ATOM 4516 CB GLN E 6 3.565 41.558 0.968 1.00 35.76 C -ATOM 4517 CG GLN E 6 2.110 41.317 1.278 1.00 38.60 C -ATOM 4518 CD GLN E 6 1.876 40.067 2.115 1.00 37.51 C -ATOM 4519 OE1 GLN E 6 2.180 38.947 1.695 1.00 36.33 O -ATOM 4520 NE2 GLN E 6 1.297 40.255 3.296 1.00 39.94 N -ATOM 4521 N THR E 7 4.514 42.265 -2.194 1.00 30.54 N -ATOM 4522 CA THR E 7 4.371 42.029 -3.618 1.00 31.35 C -ATOM 4523 C THR E 7 4.974 40.660 -3.923 1.00 30.49 C -ATOM 4524 O THR E 7 5.885 40.213 -3.217 1.00 31.63 O -ATOM 4525 CB THR E 7 5.121 43.142 -4.410 1.00 32.77 C -ATOM 4526 OG1 THR E 7 6.464 43.277 -3.914 1.00 33.34 O -ATOM 4527 CG2 THR E 7 4.401 44.493 -4.271 1.00 24.69 C -ATOM 4528 N PRO E 8 4.449 39.949 -4.939 1.00 31.28 N -ATOM 4529 CA PRO E 8 3.343 40.279 -5.843 1.00 27.42 C -ATOM 4530 C PRO E 8 2.054 39.895 -5.152 1.00 25.04 C -ATOM 4531 O PRO E 8 2.094 39.300 -4.088 1.00 33.76 O -ATOM 4532 CB PRO E 8 3.561 39.325 -7.025 1.00 27.26 C -ATOM 4533 CG PRO E 8 4.847 38.610 -6.748 1.00 32.53 C -ATOM 4534 CD PRO E 8 4.959 38.613 -5.264 1.00 32.51 C -ATOM 4535 N LYS E 9 0.925 40.165 -5.799 1.00 20.91 N -ATOM 4536 CA LYS E 9 -0.387 39.845 -5.266 1.00 17.03 C -ATOM 4537 C LYS E 9 -0.740 38.403 -5.621 1.00 22.18 C -ATOM 4538 O LYS E 9 -1.347 37.691 -4.825 1.00 24.72 O -ATOM 4539 CB LYS E 9 -1.427 40.795 -5.862 1.00 25.54 C -ATOM 4540 CG LYS E 9 -2.466 41.260 -4.875 1.00 44.10 C -ATOM 4541 CD LYS E 9 -3.305 42.413 -5.418 1.00 56.55 C -ATOM 4542 CE LYS E 9 -3.978 43.171 -4.256 1.00 65.84 C -ATOM 4543 NZ LYS E 9 -5.032 44.156 -4.669 1.00 68.83 N -ATOM 4544 N PHE E 10 -0.422 38.016 -6.859 1.00 26.62 N -ATOM 4545 CA PHE E 10 -0.669 36.673 -7.392 1.00 19.93 C -ATOM 4546 C PHE E 10 0.601 36.203 -8.082 1.00 22.16 C -ATOM 4547 O PHE E 10 1.330 36.992 -8.689 1.00 22.18 O -ATOM 4548 CB PHE E 10 -1.790 36.669 -8.426 1.00 13.53 C -ATOM 4549 CG PHE E 10 -3.091 37.197 -7.923 1.00 8.08 C -ATOM 4550 CD1 PHE E 10 -3.976 36.379 -7.245 1.00 11.66 C -ATOM 4551 CD2 PHE E 10 -3.454 38.508 -8.171 1.00 9.21 C -ATOM 4552 CE1 PHE E 10 -5.208 36.859 -6.830 1.00 9.13 C -ATOM 4553 CE2 PHE E 10 -4.683 39.005 -7.760 1.00 6.89 C -ATOM 4554 CZ PHE E 10 -5.555 38.187 -7.096 1.00 8.37 C -ATOM 4555 N GLN E 11 0.827 34.900 -8.042 1.00 24.35 N -ATOM 4556 CA GLN E 11 2.006 34.321 -8.651 1.00 24.38 C -ATOM 4557 C GLN E 11 1.692 32.880 -9.051 1.00 26.85 C -ATOM 4558 O GLN E 11 0.893 32.215 -8.382 1.00 21.51 O -ATOM 4559 CB GLN E 11 3.159 34.359 -7.638 1.00 26.21 C -ATOM 4560 CG GLN E 11 4.521 34.017 -8.198 1.00 29.65 C -ATOM 4561 CD GLN E 11 4.896 34.875 -9.399 1.00 35.28 C -ATOM 4562 OE1 GLN E 11 5.027 34.377 -10.514 1.00 35.47 O -ATOM 4563 NE2 GLN E 11 5.060 36.170 -9.176 1.00 41.42 N -ATOM 4564 N VAL E 12 2.230 32.452 -10.199 1.00 29.01 N -ATOM 4565 CA VAL E 12 2.082 31.077 -10.694 1.00 26.20 C -ATOM 4566 C VAL E 12 3.489 30.591 -10.992 1.00 25.64 C -ATOM 4567 O VAL E 12 4.273 31.286 -11.628 1.00 29.93 O -ATOM 4568 CB VAL E 12 1.244 30.964 -11.971 1.00 24.30 C -ATOM 4569 CG1 VAL E 12 0.865 29.496 -12.206 1.00 19.51 C -ATOM 4570 CG2 VAL E 12 0.000 31.826 -11.853 1.00 30.57 C -ATOM 4571 N LEU E 13 3.816 29.409 -10.503 1.00 26.58 N -ATOM 4572 CA LEU E 13 5.140 28.849 -10.697 1.00 25.75 C -ATOM 4573 C LEU E 13 4.964 27.413 -11.109 1.00 26.55 C -ATOM 4574 O LEU E 13 3.908 26.816 -10.882 1.00 28.59 O -ATOM 4575 CB LEU E 13 5.932 28.851 -9.383 1.00 28.54 C -ATOM 4576 CG LEU E 13 6.431 30.104 -8.670 1.00 30.03 C -ATOM 4577 CD1 LEU E 13 7.109 29.710 -7.376 1.00 22.95 C -ATOM 4578 CD2 LEU E 13 7.404 30.843 -9.562 1.00 31.90 C -ATOM 4579 N LYS E 14 6.020 26.851 -11.672 1.00 27.30 N -ATOM 4580 CA LYS E 14 6.023 25.463 -12.094 1.00 32.11 C -ATOM 4581 C LYS E 14 6.997 24.795 -11.136 1.00 26.74 C -ATOM 4582 O LYS E 14 8.026 25.390 -10.785 1.00 21.53 O -ATOM 4583 CB LYS E 14 6.523 25.358 -13.547 1.00 41.09 C -ATOM 4584 CG LYS E 14 7.209 24.040 -13.880 1.00 53.46 C -ATOM 4585 CD LYS E 14 7.749 24.014 -15.300 1.00 58.65 C -ATOM 4586 CE LYS E 14 8.703 22.834 -15.499 1.00 60.90 C -ATOM 4587 NZ LYS E 14 9.051 22.624 -16.927 1.00 60.17 N -ATOM 4588 N THR E 15 6.663 23.593 -10.682 1.00 23.48 N -ATOM 4589 CA THR E 15 7.527 22.867 -9.767 1.00 28.27 C -ATOM 4590 C THR E 15 8.989 23.033 -10.180 1.00 30.64 C -ATOM 4591 O THR E 15 9.337 22.808 -11.340 1.00 38.36 O -ATOM 4592 CB THR E 15 7.157 21.383 -9.759 1.00 27.75 C -ATOM 4593 OG1 THR E 15 5.746 21.263 -9.558 1.00 29.80 O -ATOM 4594 CG2 THR E 15 7.864 20.654 -8.631 1.00 33.95 C -ATOM 4595 N GLY E 16 9.823 23.518 -9.263 1.00 33.09 N -ATOM 4596 CA GLY E 16 11.230 23.701 -9.582 1.00 30.35 C -ATOM 4597 C GLY E 16 11.694 25.144 -9.624 1.00 31.94 C -ATOM 4598 O GLY E 16 12.898 25.414 -9.502 1.00 32.13 O -ATOM 4599 N GLN E 17 10.763 26.073 -9.831 1.00 29.17 N -ATOM 4600 CA GLN E 17 11.112 27.489 -9.889 1.00 28.47 C -ATOM 4601 C GLN E 17 11.318 28.082 -8.509 1.00 28.67 C -ATOM 4602 O GLN E 17 10.648 27.718 -7.550 1.00 32.90 O -ATOM 4603 CB GLN E 17 10.007 28.285 -10.569 1.00 30.75 C -ATOM 4604 CG GLN E 17 10.089 28.406 -12.056 1.00 37.54 C -ATOM 4605 CD GLN E 17 8.911 29.195 -12.606 1.00 44.98 C -ATOM 4606 OE1 GLN E 17 7.761 28.782 -12.476 1.00 50.35 O -ATOM 4607 NE2 GLN E 17 9.189 30.346 -13.197 1.00 48.36 N -ATOM 4608 N SER E 18 12.243 29.015 -8.417 1.00 31.39 N -ATOM 4609 CA SER E 18 12.504 29.701 -7.172 1.00 35.34 C -ATOM 4610 C SER E 18 11.568 30.903 -7.207 1.00 38.13 C -ATOM 4611 O SER E 18 11.072 31.257 -8.272 1.00 38.91 O -ATOM 4612 CB SER E 18 13.955 30.161 -7.156 1.00 37.36 C -ATOM 4613 OG SER E 18 14.362 30.562 -8.460 1.00 46.50 O -ATOM 4614 N MET E 19 11.327 31.537 -6.065 1.00 39.17 N -ATOM 4615 CA MET E 19 10.446 32.698 -6.022 1.00 37.59 C -ATOM 4616 C MET E 19 10.720 33.407 -4.733 1.00 34.87 C -ATOM 4617 O MET E 19 11.033 32.750 -3.760 1.00 39.31 O -ATOM 4618 CB MET E 19 8.976 32.252 -6.017 1.00 44.04 C -ATOM 4619 CG MET E 19 7.960 33.398 -5.900 1.00 49.69 C -ATOM 4620 SD MET E 19 8.125 34.569 -7.280 1.00 64.10 S -ATOM 4621 CE MET E 19 7.774 36.137 -6.525 1.00 63.57 C -ATOM 4622 N THR E 20 10.714 34.734 -4.721 1.00 33.54 N -ATOM 4623 CA THR E 20 10.892 35.429 -3.446 1.00 36.38 C -ATOM 4624 C THR E 20 9.720 36.398 -3.241 1.00 35.33 C -ATOM 4625 O THR E 20 9.265 37.045 -4.195 1.00 32.90 O -ATOM 4626 CB THR E 20 12.330 36.075 -3.225 1.00 39.04 C -ATOM 4627 OG1 THR E 20 12.240 37.499 -3.073 1.00 42.95 O -ATOM 4628 CG2 THR E 20 13.302 35.711 -4.352 1.00 45.61 C -ATOM 4629 N LEU E 21 9.129 36.342 -2.045 1.00 30.32 N -ATOM 4630 CA LEU E 21 8.004 37.181 -1.677 1.00 22.30 C -ATOM 4631 C LEU E 21 8.564 38.373 -0.971 1.00 21.77 C -ATOM 4632 O LEU E 21 9.405 38.234 -0.090 1.00 24.65 O -ATOM 4633 CB LEU E 21 7.068 36.427 -0.755 1.00 24.41 C -ATOM 4634 CG LEU E 21 6.439 35.216 -1.431 1.00 26.10 C -ATOM 4635 CD1 LEU E 21 5.675 34.399 -0.424 1.00 38.16 C -ATOM 4636 CD2 LEU E 21 5.531 35.659 -2.544 1.00 27.46 C -ATOM 4637 N GLN E 22 8.147 39.552 -1.398 1.00 21.35 N -ATOM 4638 CA GLN E 22 8.644 40.765 -0.791 1.00 27.00 C -ATOM 4639 C GLN E 22 7.718 41.283 0.288 1.00 30.84 C -ATOM 4640 O GLN E 22 6.499 41.270 0.132 1.00 32.51 O -ATOM 4641 CB GLN E 22 8.873 41.832 -1.847 1.00 27.23 C -ATOM 4642 CG GLN E 22 9.836 41.404 -2.947 1.00 38.27 C -ATOM 4643 CD GLN E 22 11.194 40.957 -2.430 1.00 44.17 C -ATOM 4644 OE1 GLN E 22 11.440 40.949 -1.225 1.00 52.34 O -ATOM 4645 NE2 GLN E 22 12.088 40.584 -3.345 1.00 48.82 N -ATOM 4646 N CYS E 23 8.306 41.675 1.414 1.00 35.05 N -ATOM 4647 CA CYS E 23 7.547 42.224 2.533 1.00 31.69 C -ATOM 4648 C CYS E 23 8.250 43.453 3.039 1.00 26.11 C -ATOM 4649 O CYS E 23 9.427 43.400 3.414 1.00 22.37 O -ATOM 4650 CB CYS E 23 7.407 41.244 3.689 1.00 33.51 C -ATOM 4651 SG CYS E 23 6.406 41.988 5.013 1.00 34.59 S -ATOM 4652 N ALA E 24 7.530 44.563 3.016 1.00 23.01 N -ATOM 4653 CA ALA E 24 8.075 45.822 3.462 1.00 26.95 C -ATOM 4654 C ALA E 24 7.127 46.480 4.450 1.00 28.95 C -ATOM 4655 O ALA E 24 5.902 46.471 4.280 1.00 27.18 O -ATOM 4656 CB ALA E 24 8.332 46.728 2.282 1.00 22.23 C -ATOM 4657 N GLN E 25 7.710 47.004 5.521 1.00 30.51 N -ATOM 4658 CA GLN E 25 6.963 47.692 6.561 1.00 29.25 C -ATOM 4659 C GLN E 25 7.670 49.039 6.703 1.00 29.29 C -ATOM 4660 O GLN E 25 8.898 49.115 6.600 1.00 24.77 O -ATOM 4661 CB GLN E 25 6.961 46.825 7.841 1.00 27.45 C -ATOM 4662 CG GLN E 25 7.155 47.495 9.189 1.00 30.65 C -ATOM 4663 CD GLN E 25 8.612 47.607 9.564 1.00 29.06 C -ATOM 4664 OE1 GLN E 25 9.088 48.686 9.890 1.00 41.33 O -ATOM 4665 NE2 GLN E 25 9.329 46.503 9.500 1.00 33.30 N -ATOM 4666 N ASP E 26 6.887 50.109 6.805 1.00 32.32 N -ATOM 4667 CA ASP E 26 7.441 51.458 6.935 1.00 37.95 C -ATOM 4668 C ASP E 26 7.283 52.032 8.349 1.00 39.93 C -ATOM 4669 O ASP E 26 7.595 53.202 8.597 1.00 46.37 O -ATOM 4670 CB ASP E 26 6.761 52.381 5.930 1.00 33.84 C -ATOM 4671 N MET E 27 6.854 51.190 9.283 1.00 35.78 N -ATOM 4672 CA MET E 27 6.597 51.608 10.655 1.00 31.18 C -ATOM 4673 C MET E 27 7.736 51.434 11.645 1.00 31.03 C -ATOM 4674 O MET E 27 7.528 51.551 12.840 1.00 38.18 O -ATOM 4675 CB MET E 27 5.372 50.868 11.158 1.00 23.77 C -ATOM 4676 CG MET E 27 4.360 50.685 10.082 1.00 17.61 C -ATOM 4677 SD MET E 27 2.942 49.872 10.684 1.00 37.55 S -ATOM 4678 CE MET E 27 3.425 48.150 10.408 1.00 34.15 C -ATOM 4679 N ASN E 28 8.930 51.130 11.161 1.00 32.34 N -ATOM 4680 CA ASN E 28 10.075 50.944 12.034 1.00 29.08 C -ATOM 4681 C ASN E 28 9.768 49.902 13.094 1.00 29.72 C -ATOM 4682 O ASN E 28 10.060 50.083 14.265 1.00 38.27 O -ATOM 4683 CB ASN E 28 10.471 52.270 12.682 1.00 32.53 C -ATOM 4684 CG ASN E 28 11.418 53.086 11.817 1.00 35.37 C -ATOM 4685 OD1 ASN E 28 12.304 52.539 11.168 1.00 34.28 O -ATOM 4686 ND2 ASN E 28 11.231 54.402 11.806 1.00 38.98 N -ATOM 4687 N HIS E 29 9.081 48.848 12.689 1.00 30.59 N -ATOM 4688 CA HIS E 29 8.734 47.759 13.587 1.00 27.97 C -ATOM 4689 C HIS E 29 9.904 46.802 13.507 1.00 30.33 C -ATOM 4690 O HIS E 29 10.398 46.524 12.409 1.00 35.47 O -ATOM 4691 CB HIS E 29 7.447 47.077 13.119 1.00 29.82 C -ATOM 4692 CG HIS E 29 6.202 47.821 13.497 1.00 26.54 C -ATOM 4693 ND1 HIS E 29 4.940 47.368 13.183 1.00 27.01 N -ATOM 4694 CD2 HIS E 29 6.032 48.966 14.194 1.00 32.97 C -ATOM 4695 CE1 HIS E 29 4.041 48.205 13.675 1.00 25.82 C -ATOM 4696 NE2 HIS E 29 4.675 49.182 14.291 1.00 32.75 N -ATOM 4697 N GLU E 30 10.329 46.288 14.656 1.00 24.53 N -ATOM 4698 CA GLU E 30 11.475 45.390 14.725 1.00 20.61 C -ATOM 4699 C GLU E 30 11.210 43.914 14.436 1.00 20.76 C -ATOM 4700 O GLU E 30 12.118 43.185 14.025 1.00 22.12 O -ATOM 4701 CB GLU E 30 12.154 45.541 16.088 1.00 22.28 C -ATOM 4702 N TYR E 31 9.981 43.471 14.665 1.00 15.26 N -ATOM 4703 CA TYR E 31 9.640 42.075 14.475 1.00 13.36 C -ATOM 4704 C TYR E 31 8.735 41.900 13.283 1.00 18.65 C -ATOM 4705 O TYR E 31 7.743 42.614 13.133 1.00 19.76 O -ATOM 4706 CB TYR E 31 8.966 41.562 15.737 1.00 13.39 C -ATOM 4707 CG TYR E 31 8.471 40.155 15.679 1.00 9.37 C -ATOM 4708 CD1 TYR E 31 7.269 39.852 15.069 1.00 11.00 C -ATOM 4709 CD2 TYR E 31 9.177 39.128 16.282 1.00 9.39 C -ATOM 4710 CE1 TYR E 31 6.775 38.557 15.064 1.00 16.61 C -ATOM 4711 CE2 TYR E 31 8.691 37.821 16.284 1.00 11.87 C -ATOM 4712 CZ TYR E 31 7.487 37.540 15.675 1.00 16.90 C -ATOM 4713 OH TYR E 31 6.958 36.260 15.689 1.00 24.39 O -ATOM 4714 N MET E 32 9.073 40.922 12.451 1.00 25.17 N -ATOM 4715 CA MET E 32 8.317 40.617 11.236 1.00 22.64 C -ATOM 4716 C MET E 32 8.186 39.108 11.095 1.00 20.63 C -ATOM 4717 O MET E 32 9.103 38.367 11.447 1.00 20.63 O -ATOM 4718 CB MET E 32 9.024 41.219 10.026 1.00 23.96 C -ATOM 4719 CG MET E 32 9.041 42.740 10.029 1.00 21.27 C -ATOM 4720 SD MET E 32 10.094 43.406 8.740 1.00 25.67 S -ATOM 4721 CE MET E 32 8.877 43.567 7.409 1.00 8.90 C -ATOM 4722 N SER E 33 7.052 38.656 10.582 1.00 16.63 N -ATOM 4723 CA SER E 33 6.796 37.237 10.450 1.00 19.64 C -ATOM 4724 C SER E 33 6.107 36.832 9.148 1.00 18.58 C -ATOM 4725 O SER E 33 5.450 37.647 8.499 1.00 17.83 O -ATOM 4726 CB SER E 33 5.941 36.801 11.637 1.00 20.89 C -ATOM 4727 OG SER E 33 4.914 37.749 11.898 1.00 31.30 O -ATOM 4728 N TRP E 34 6.203 35.550 8.815 1.00 13.75 N -ATOM 4729 CA TRP E 34 5.588 35.027 7.611 1.00 13.80 C -ATOM 4730 C TRP E 34 4.667 33.854 7.920 1.00 14.44 C -ATOM 4731 O TRP E 34 5.107 32.849 8.451 1.00 20.57 O -ATOM 4732 CB TRP E 34 6.671 34.586 6.614 1.00 18.41 C -ATOM 4733 CG TRP E 34 7.118 35.674 5.644 1.00 18.10 C -ATOM 4734 CD1 TRP E 34 8.306 36.351 5.647 1.00 16.85 C -ATOM 4735 CD2 TRP E 34 6.376 36.173 4.507 1.00 15.13 C -ATOM 4736 NE1 TRP E 34 8.357 37.232 4.590 1.00 11.97 N -ATOM 4737 CE2 TRP E 34 7.183 37.141 3.878 1.00 12.25 C -ATOM 4738 CE3 TRP E 34 5.115 35.894 3.970 1.00 9.44 C -ATOM 4739 CZ2 TRP E 34 6.767 37.831 2.734 1.00 13.36 C -ATOM 4740 CZ3 TRP E 34 4.700 36.576 2.839 1.00 13.05 C -ATOM 4741 CH2 TRP E 34 5.524 37.533 2.233 1.00 7.12 C -ATOM 4742 N TYR E 35 3.401 33.974 7.546 1.00 17.00 N -ATOM 4743 CA TYR E 35 2.404 32.927 7.758 1.00 19.32 C -ATOM 4744 C TYR E 35 1.851 32.442 6.410 1.00 21.29 C -ATOM 4745 O TYR E 35 2.126 33.037 5.375 1.00 19.44 O -ATOM 4746 CB TYR E 35 1.214 33.471 8.575 1.00 24.74 C -ATOM 4747 CG TYR E 35 1.519 33.933 9.983 1.00 24.40 C -ATOM 4748 CD1 TYR E 35 1.996 35.218 10.222 1.00 20.62 C -ATOM 4749 CD2 TYR E 35 1.323 33.080 11.075 1.00 27.57 C -ATOM 4750 CE1 TYR E 35 2.274 35.647 11.508 1.00 29.45 C -ATOM 4751 CE2 TYR E 35 1.601 33.495 12.367 1.00 27.14 C -ATOM 4752 CZ TYR E 35 2.077 34.782 12.577 1.00 32.08 C -ATOM 4753 OH TYR E 35 2.382 35.203 13.851 1.00 35.96 O -ATOM 4754 N ARG E 36 1.039 31.389 6.450 1.00 19.91 N -ATOM 4755 CA ARG E 36 0.393 30.821 5.272 1.00 26.78 C -ATOM 4756 C ARG E 36 -0.929 30.191 5.687 1.00 30.02 C -ATOM 4757 O ARG E 36 -0.984 29.346 6.583 1.00 31.51 O -ATOM 4758 CB ARG E 36 1.272 29.776 4.566 1.00 32.64 C -ATOM 4759 CG ARG E 36 1.711 28.604 5.411 1.00 31.99 C -ATOM 4760 CD ARG E 36 2.381 27.556 4.550 1.00 36.57 C -ATOM 4761 NE ARG E 36 1.408 26.773 3.780 1.00 40.19 N -ATOM 4762 CZ ARG E 36 1.722 25.874 2.844 1.00 31.33 C -ATOM 4763 NH1 ARG E 36 2.990 25.624 2.530 1.00 30.62 N -ATOM 4764 NH2 ARG E 36 0.762 25.204 2.232 1.00 29.49 N -ATOM 4765 N GLN E 37 -1.986 30.569 4.991 1.00 30.88 N -ATOM 4766 CA GLN E 37 -3.308 30.075 5.297 1.00 34.93 C -ATOM 4767 C GLN E 37 -3.783 28.980 4.351 1.00 41.00 C -ATOM 4768 O GLN E 37 -3.849 29.173 3.135 1.00 41.05 O -ATOM 4769 CB GLN E 37 -4.288 31.243 5.272 1.00 31.73 C -ATOM 4770 CG GLN E 37 -5.640 30.925 5.844 1.00 35.53 C -ATOM 4771 CD GLN E 37 -6.637 31.989 5.525 1.00 34.81 C -ATOM 4772 OE1 GLN E 37 -6.363 32.890 4.736 1.00 46.43 O -ATOM 4773 NE2 GLN E 37 -7.807 31.901 6.128 1.00 39.11 N -ATOM 4774 N ASP E 38 -4.132 27.835 4.926 1.00 46.90 N -ATOM 4775 CA ASP E 38 -4.638 26.696 4.164 1.00 51.34 C -ATOM 4776 C ASP E 38 -6.026 26.417 4.731 1.00 52.50 C -ATOM 4777 O ASP E 38 -6.258 26.647 5.916 1.00 57.88 O -ATOM 4778 CB ASP E 38 -3.709 25.494 4.331 1.00 55.22 C -ATOM 4779 CG ASP E 38 -2.290 25.790 3.865 1.00 58.64 C -ATOM 4780 OD1 ASP E 38 -1.543 26.472 4.604 1.00 62.04 O -ATOM 4781 OD2 ASP E 38 -1.932 25.351 2.755 1.00 60.59 O -ATOM 4782 N PRO E 39 -6.951 25.875 3.916 1.00 52.98 N -ATOM 4783 CA PRO E 39 -8.318 25.590 4.379 1.00 52.40 C -ATOM 4784 C PRO E 39 -8.460 24.824 5.693 1.00 50.85 C -ATOM 4785 O PRO E 39 -9.256 25.199 6.563 1.00 51.15 O -ATOM 4786 CB PRO E 39 -8.920 24.808 3.206 1.00 52.42 C -ATOM 4787 CG PRO E 39 -8.201 25.363 2.027 1.00 52.44 C -ATOM 4788 CD PRO E 39 -6.772 25.405 2.532 1.00 50.68 C -ATOM 4789 N GLY E 40 -7.693 23.753 5.834 1.00 44.72 N -ATOM 4790 CA GLY E 40 -7.796 22.959 7.036 1.00 50.43 C -ATOM 4791 C GLY E 40 -7.189 23.481 8.331 1.00 49.02 C -ATOM 4792 O GLY E 40 -7.683 23.125 9.406 1.00 47.18 O -ATOM 4793 N MET E 41 -6.180 24.352 8.260 1.00 45.76 N -ATOM 4794 CA MET E 41 -5.525 24.798 9.487 1.00 41.00 C -ATOM 4795 C MET E 41 -5.200 26.272 9.726 1.00 36.12 C -ATOM 4796 O MET E 41 -4.081 26.592 10.105 1.00 36.49 O -ATOM 4797 CB MET E 41 -4.266 23.951 9.716 1.00 45.14 C -ATOM 4798 N GLY E 42 -6.177 27.157 9.586 1.00 34.33 N -ATOM 4799 CA GLY E 42 -5.917 28.565 9.836 1.00 31.79 C -ATOM 4800 C GLY E 42 -4.565 29.025 9.331 1.00 31.19 C -ATOM 4801 O GLY E 42 -4.127 28.599 8.260 1.00 37.31 O -ATOM 4802 N LEU E 43 -3.905 29.893 10.090 1.00 30.72 N -ATOM 4803 CA LEU E 43 -2.587 30.408 9.715 1.00 24.93 C -ATOM 4804 C LEU E 43 -1.517 29.628 10.466 1.00 22.99 C -ATOM 4805 O LEU E 43 -1.773 29.097 11.535 1.00 30.22 O -ATOM 4806 CB LEU E 43 -2.477 31.898 10.047 1.00 24.57 C -ATOM 4807 CG LEU E 43 -3.506 32.842 9.406 1.00 35.01 C -ATOM 4808 CD1 LEU E 43 -3.447 34.218 10.046 1.00 42.52 C -ATOM 4809 CD2 LEU E 43 -3.288 32.962 7.908 1.00 36.91 C -ATOM 4810 N ARG E 44 -0.321 29.556 9.899 1.00 16.76 N -ATOM 4811 CA ARG E 44 0.792 28.847 10.496 1.00 17.67 C -ATOM 4812 C ARG E 44 2.053 29.670 10.279 1.00 24.58 C -ATOM 4813 O ARG E 44 2.199 30.302 9.244 1.00 36.56 O -ATOM 4814 CB ARG E 44 0.939 27.473 9.860 1.00 17.00 C -ATOM 4815 CG ARG E 44 -0.161 26.504 10.265 1.00 19.78 C -ATOM 4816 CD ARG E 44 0.046 25.143 9.654 1.00 27.96 C -ATOM 4817 NE ARG E 44 -0.279 25.144 8.227 1.00 41.28 N -ATOM 4818 CZ ARG E 44 -0.270 24.067 7.445 1.00 35.67 C -ATOM 4819 NH1 ARG E 44 0.049 22.880 7.933 1.00 37.50 N -ATOM 4820 NH2 ARG E 44 -0.574 24.179 6.164 1.00 40.13 N -ATOM 4821 N LEU E 45 2.942 29.714 11.266 1.00 24.97 N -ATOM 4822 CA LEU E 45 4.168 30.493 11.138 1.00 24.42 C -ATOM 4823 C LEU E 45 5.215 29.699 10.365 1.00 23.86 C -ATOM 4824 O LEU E 45 5.406 28.501 10.592 1.00 29.16 O -ATOM 4825 CB LEU E 45 4.700 30.892 12.523 1.00 24.05 C -ATOM 4826 CG LEU E 45 5.888 31.859 12.642 1.00 13.48 C -ATOM 4827 CD1 LEU E 45 5.431 33.262 12.414 1.00 11.28 C -ATOM 4828 CD2 LEU E 45 6.482 31.766 14.015 1.00 16.46 C -ATOM 4829 N ILE E 46 5.904 30.384 9.467 1.00 20.55 N -ATOM 4830 CA ILE E 46 6.925 29.774 8.628 1.00 15.59 C -ATOM 4831 C ILE E 46 8.257 30.141 9.259 1.00 17.11 C -ATOM 4832 O ILE E 46 9.023 29.272 9.657 1.00 26.92 O -ATOM 4833 CB ILE E 46 6.832 30.343 7.145 1.00 18.98 C -ATOM 4834 CG1 ILE E 46 5.498 29.975 6.496 1.00 13.86 C -ATOM 4835 CG2 ILE E 46 7.935 29.789 6.248 1.00 18.75 C -ATOM 4836 CD1 ILE E 46 5.257 30.706 5.216 1.00 13.85 C -ATOM 4837 N HIS E 47 8.522 31.440 9.350 1.00 16.07 N -ATOM 4838 CA HIS E 47 9.750 31.982 9.921 1.00 13.81 C -ATOM 4839 C HIS E 47 9.369 33.322 10.501 1.00 16.07 C -ATOM 4840 O HIS E 47 8.359 33.903 10.105 1.00 22.96 O -ATOM 4841 CB HIS E 47 10.785 32.264 8.834 1.00 27.49 C -ATOM 4842 CG HIS E 47 11.608 31.076 8.427 1.00 34.29 C -ATOM 4843 ND1 HIS E 47 11.217 30.211 7.429 1.00 35.80 N -ATOM 4844 CD2 HIS E 47 12.833 30.669 8.825 1.00 38.97 C -ATOM 4845 CE1 HIS E 47 12.173 29.321 7.225 1.00 38.67 C -ATOM 4846 NE2 HIS E 47 13.164 29.572 8.054 1.00 41.07 N -ATOM 4847 N TYR E 48 10.177 33.829 11.420 1.00 20.53 N -ATOM 4848 CA TYR E 48 9.920 35.131 12.030 1.00 20.69 C -ATOM 4849 C TYR E 48 11.261 35.763 12.291 1.00 19.04 C -ATOM 4850 O TYR E 48 12.269 35.066 12.383 1.00 18.53 O -ATOM 4851 CB TYR E 48 9.150 34.996 13.350 1.00 27.62 C -ATOM 4852 CG TYR E 48 9.931 34.327 14.457 1.00 31.57 C -ATOM 4853 CD1 TYR E 48 9.961 32.938 14.574 1.00 34.67 C -ATOM 4854 CD2 TYR E 48 10.673 35.081 15.366 1.00 35.47 C -ATOM 4855 CE1 TYR E 48 10.721 32.310 15.565 1.00 37.92 C -ATOM 4856 CE2 TYR E 48 11.439 34.467 16.358 1.00 38.19 C -ATOM 4857 CZ TYR E 48 11.458 33.078 16.453 1.00 39.39 C -ATOM 4858 OH TYR E 48 12.236 32.454 17.412 1.00 44.15 O -ATOM 4859 N SER E 49 11.275 37.077 12.443 1.00 21.16 N -ATOM 4860 CA SER E 49 12.518 37.786 12.698 1.00 23.03 C -ATOM 4861 C SER E 49 12.259 38.756 13.823 1.00 25.04 C -ATOM 4862 O SER E 49 11.329 39.560 13.766 1.00 31.05 O -ATOM 4863 CB SER E 49 12.972 38.533 11.454 1.00 18.47 C -ATOM 4864 OG SER E 49 14.226 39.152 11.650 1.00 20.23 O -ATOM 4865 N VAL E 50 13.050 38.632 14.879 1.00 25.25 N -ATOM 4866 CA VAL E 50 12.895 39.498 16.033 1.00 23.20 C -ATOM 4867 C VAL E 50 13.622 40.803 15.794 1.00 27.30 C -ATOM 4868 O VAL E 50 13.505 41.719 16.600 1.00 33.92 O -ATOM 4869 CB VAL E 50 13.394 38.832 17.358 1.00 16.89 C -ATOM 4870 CG1 VAL E 50 12.692 37.496 17.583 1.00 8.05 C -ATOM 4871 CG2 VAL E 50 14.912 38.664 17.364 1.00 9.63 C -ATOM 4872 N GLY E 51 14.380 40.885 14.703 1.00 23.58 N -ATOM 4873 CA GLY E 51 15.098 42.108 14.428 1.00 27.34 C -ATOM 4874 C GLY E 51 16.181 41.993 13.386 1.00 28.53 C -ATOM 4875 O GLY E 51 16.611 40.897 13.035 1.00 33.16 O -ATOM 4876 N ALA E 52 16.663 43.146 12.940 1.00 27.73 N -ATOM 4877 CA ALA E 52 17.690 43.210 11.928 1.00 26.74 C -ATOM 4878 C ALA E 52 18.818 42.214 12.174 1.00 30.82 C -ATOM 4879 O ALA E 52 19.384 42.155 13.262 1.00 38.09 O -ATOM 4880 CB ALA E 52 18.234 44.640 11.834 1.00 22.30 C -ATOM 4881 N GLY E 53 19.062 41.371 11.179 1.00 35.44 N -ATOM 4882 CA GLY E 53 20.136 40.398 11.237 1.00 33.44 C -ATOM 4883 C GLY E 53 19.825 39.109 11.950 1.00 35.06 C -ATOM 4884 O GLY E 53 20.656 38.202 11.979 1.00 39.95 O -ATOM 4885 N ILE E 54 18.617 38.989 12.474 1.00 32.54 N -ATOM 4886 CA ILE E 54 18.261 37.797 13.217 1.00 33.29 C -ATOM 4887 C ILE E 54 17.061 37.112 12.590 1.00 36.25 C -ATOM 4888 O ILE E 54 16.111 37.771 12.184 1.00 31.60 O -ATOM 4889 CB ILE E 54 17.935 38.192 14.681 1.00 37.78 C -ATOM 4890 CG1 ILE E 54 19.103 38.969 15.294 1.00 30.07 C -ATOM 4891 CG2 ILE E 54 17.600 36.949 15.503 1.00 38.33 C -ATOM 4892 CD1 ILE E 54 18.686 40.020 16.286 1.00 41.28 C -ATOM 4893 N THR E 55 17.076 35.777 12.548 1.00 40.37 N -ATOM 4894 CA THR E 55 15.966 35.006 11.959 1.00 42.94 C -ATOM 4895 C THR E 55 15.858 33.642 12.634 1.00 40.26 C -ATOM 4896 O THR E 55 16.868 33.070 13.064 1.00 45.62 O -ATOM 4897 CB THR E 55 16.161 34.738 10.430 1.00 44.55 C -ATOM 4898 OG1 THR E 55 17.398 34.048 10.215 1.00 53.14 O -ATOM 4899 CG2 THR E 55 16.162 36.048 9.634 1.00 44.24 C -ATOM 4900 N ASP E 56 14.643 33.093 12.696 1.00 32.35 N -ATOM 4901 CA ASP E 56 14.429 31.781 13.292 1.00 32.67 C -ATOM 4902 C ASP E 56 13.182 31.155 12.719 1.00 33.15 C -ATOM 4903 O ASP E 56 12.255 31.854 12.313 1.00 30.59 O -ATOM 4904 CB ASP E 56 14.327 31.868 14.817 1.00 44.15 C -ATOM 4905 CG ASP E 56 15.354 30.987 15.529 1.00 44.99 C -ATOM 4906 OD1 ASP E 56 16.559 31.324 15.483 1.00 42.63 O -ATOM 4907 OD2 ASP E 56 14.948 29.964 16.135 1.00 45.54 O -ATOM 4908 N GLN E 57 13.173 29.827 12.689 1.00 35.01 N -ATOM 4909 CA GLN E 57 12.066 29.072 12.126 1.00 35.12 C -ATOM 4910 C GLN E 57 10.843 28.963 13.001 1.00 34.13 C -ATOM 4911 O GLN E 57 10.939 29.069 14.217 1.00 39.04 O -ATOM 4912 CB GLN E 57 12.530 27.680 11.691 1.00 42.29 C -ATOM 4913 CG GLN E 57 13.269 26.891 12.748 1.00 59.72 C -ATOM 4914 CD GLN E 57 13.993 25.680 12.169 1.00 67.95 C -ATOM 4915 OE1 GLN E 57 14.703 25.785 11.161 1.00 65.20 O -ATOM 4916 NE2 GLN E 57 13.837 24.528 12.820 1.00 72.87 N -ATOM 4917 N GLY E 58 9.698 28.768 12.354 1.00 27.53 N -ATOM 4918 CA GLY E 58 8.439 28.627 13.047 1.00 27.52 C -ATOM 4919 C GLY E 58 7.942 27.196 12.958 1.00 31.75 C -ATOM 4920 O GLY E 58 8.747 26.260 12.938 1.00 36.89 O -ATOM 4921 N GLU E 59 6.626 27.022 12.848 1.00 31.16 N -ATOM 4922 CA GLU E 59 6.023 25.689 12.781 1.00 35.54 C -ATOM 4923 C GLU E 59 6.368 24.960 11.485 1.00 38.67 C -ATOM 4924 O GLU E 59 6.962 23.880 11.513 1.00 43.16 O -ATOM 4925 CB GLU E 59 4.494 25.778 12.959 1.00 31.21 C -ATOM 4926 CG GLU E 59 3.747 24.432 13.029 1.00 33.33 C -ATOM 4927 CD GLU E 59 2.215 24.572 13.100 1.00 39.09 C -ATOM 4928 OE1 GLU E 59 1.705 25.710 13.182 1.00 43.27 O -ATOM 4929 OE2 GLU E 59 1.508 23.538 13.073 1.00 42.65 O -ATOM 4930 N VAL E 60 6.060 25.590 10.355 1.00 42.46 N -ATOM 4931 CA VAL E 60 6.289 25.003 9.029 1.00 37.84 C -ATOM 4932 C VAL E 60 7.338 25.740 8.200 1.00 35.16 C -ATOM 4933 O VAL E 60 7.011 26.390 7.208 1.00 36.25 O -ATOM 4934 CB VAL E 60 4.961 24.949 8.242 1.00 36.31 C -ATOM 4935 CG1 VAL E 60 4.060 23.878 8.837 1.00 37.78 C -ATOM 4936 CG2 VAL E 60 4.250 26.319 8.287 1.00 24.74 C -ATOM 4937 N PRO E 61 8.621 25.609 8.572 1.00 33.29 N -ATOM 4938 CA PRO E 61 9.750 26.253 7.894 1.00 35.12 C -ATOM 4939 C PRO E 61 10.396 25.508 6.712 1.00 38.07 C -ATOM 4940 O PRO E 61 11.282 26.059 6.042 1.00 39.36 O -ATOM 4941 CB PRO E 61 10.753 26.405 9.030 1.00 31.40 C -ATOM 4942 CG PRO E 61 10.603 25.095 9.721 1.00 29.39 C -ATOM 4943 CD PRO E 61 9.087 24.931 9.798 1.00 27.92 C -ATOM 4944 N ASN E 62 9.988 24.268 6.471 1.00 39.84 N -ATOM 4945 CA ASN E 62 10.573 23.473 5.390 1.00 43.78 C -ATOM 4946 C ASN E 62 10.242 23.963 3.982 1.00 42.13 C -ATOM 4947 O ASN E 62 9.066 24.078 3.613 1.00 43.03 O -ATOM 4948 CB ASN E 62 10.165 22.001 5.530 1.00 50.09 C -ATOM 4949 CG ASN E 62 10.906 21.291 6.655 1.00 51.59 C -ATOM 4950 OD1 ASN E 62 12.018 21.679 7.033 1.00 49.71 O -ATOM 4951 ND2 ASN E 62 10.291 20.245 7.194 1.00 51.22 N -ATOM 4952 N GLY E 63 11.287 24.244 3.204 1.00 36.16 N -ATOM 4953 CA GLY E 63 11.104 24.702 1.841 1.00 31.58 C -ATOM 4954 C GLY E 63 11.340 26.182 1.618 1.00 31.89 C -ATOM 4955 O GLY E 63 11.593 26.632 0.481 1.00 33.99 O -ATOM 4956 N TYR E 65 11.272 26.950 2.697 1.00 27.76 N -ATOM 4957 CA TYR E 65 11.471 28.384 2.603 1.00 26.93 C -ATOM 4958 C TYR E 65 12.715 28.816 3.356 1.00 29.55 C -ATOM 4959 O TYR E 65 13.125 28.206 4.338 1.00 34.04 O -ATOM 4960 CB TYR E 65 10.276 29.157 3.168 1.00 24.83 C -ATOM 4961 CG TYR E 65 8.900 28.624 2.804 1.00 24.14 C -ATOM 4962 CD1 TYR E 65 8.324 27.585 3.539 1.00 21.94 C -ATOM 4963 CD2 TYR E 65 8.149 29.187 1.762 1.00 14.44 C -ATOM 4964 CE1 TYR E 65 7.046 27.123 3.259 1.00 13.37 C -ATOM 4965 CE2 TYR E 65 6.866 28.730 1.488 1.00 7.45 C -ATOM 4966 CZ TYR E 65 6.328 27.700 2.239 1.00 8.09 C -ATOM 4967 OH TYR E 65 5.050 27.253 2.000 1.00 23.58 O -ATOM 4968 N ASN E 66 13.325 29.871 2.853 1.00 32.54 N -ATOM 4969 CA ASN E 66 14.502 30.473 3.444 1.00 29.94 C -ATOM 4970 C ASN E 66 14.011 31.871 3.746 1.00 31.20 C -ATOM 4971 O ASN E 66 12.962 32.282 3.255 1.00 31.85 O -ATOM 4972 CB ASN E 66 15.642 30.564 2.434 1.00 34.67 C -ATOM 4973 CG ASN E 66 16.449 29.277 2.338 1.00 48.39 C -ATOM 4974 OD1 ASN E 66 17.653 29.257 2.651 1.00 49.45 O -ATOM 4975 ND2 ASN E 66 15.803 28.196 1.888 1.00 43.57 N -ATOM 4976 N VAL E 67 14.725 32.598 4.585 1.00 33.18 N -ATOM 4977 CA VAL E 67 14.301 33.948 4.891 1.00 32.66 C -ATOM 4978 C VAL E 67 15.518 34.709 5.352 1.00 34.14 C -ATOM 4979 O VAL E 67 16.524 34.094 5.721 1.00 37.14 O -ATOM 4980 CB VAL E 67 13.169 33.941 5.931 1.00 35.22 C -ATOM 4981 CG1 VAL E 67 13.721 33.952 7.364 1.00 35.90 C -ATOM 4982 CG2 VAL E 67 12.211 35.065 5.645 1.00 33.62 C -ATOM 4983 N SER E 68 15.480 36.031 5.236 1.00 34.42 N -ATOM 4984 CA SER E 68 16.619 36.855 5.640 1.00 35.07 C -ATOM 4985 C SER E 68 16.129 38.221 6.097 1.00 33.10 C -ATOM 4986 O SER E 68 14.987 38.603 5.815 1.00 32.13 O -ATOM 4987 CB SER E 68 17.635 36.984 4.492 1.00 38.20 C -ATOM 4988 OG SER E 68 17.007 37.361 3.274 1.00 47.19 O -ATOM 4989 N ARG E 69 16.996 38.956 6.786 1.00 32.37 N -ATOM 4990 CA ARG E 69 16.627 40.263 7.324 1.00 32.78 C -ATOM 4991 C ARG E 69 17.853 41.161 7.437 1.00 33.70 C -ATOM 4992 O ARG E 69 18.416 41.300 8.513 1.00 40.27 O -ATOM 4993 CB ARG E 69 16.017 40.061 8.718 1.00 27.68 C -ATOM 4994 CG ARG E 69 15.496 41.298 9.374 1.00 29.64 C -ATOM 4995 CD ARG E 69 14.150 41.666 8.821 1.00 32.74 C -ATOM 4996 NE ARG E 69 13.584 42.814 9.523 1.00 37.94 N -ATOM 4997 CZ ARG E 69 13.013 42.749 10.721 1.00 37.74 C -ATOM 4998 NH1 ARG E 69 12.930 41.585 11.354 1.00 34.15 N -ATOM 4999 NH2 ARG E 69 12.528 43.849 11.285 1.00 33.65 N -ATOM 5000 N SER E 70 18.293 41.752 6.337 1.00 35.24 N -ATOM 5001 CA SER E 70 19.468 42.618 6.378 1.00 36.18 C -ATOM 5002 C SER E 70 19.063 44.043 6.703 1.00 36.80 C -ATOM 5003 O SER E 70 19.908 44.912 6.930 1.00 39.73 O -ATOM 5004 CB SER E 70 20.217 42.556 5.047 1.00 37.81 C -ATOM 5005 OG SER E 70 19.356 42.100 4.017 1.00 43.02 O -ATOM 5006 N THR E 71 17.756 44.275 6.713 1.00 34.40 N -ATOM 5007 CA THR E 71 17.199 45.578 7.021 1.00 33.57 C -ATOM 5008 C THR E 71 15.987 45.396 7.919 1.00 31.36 C -ATOM 5009 O THR E 71 15.362 44.349 7.919 1.00 34.46 O -ATOM 5010 CB THR E 71 16.759 46.275 5.757 1.00 35.75 C -ATOM 5011 OG1 THR E 71 16.115 45.324 4.894 1.00 38.76 O -ATOM 5012 CG2 THR E 71 17.949 46.890 5.068 1.00 41.55 C -ATOM 5013 N THR E 72 15.674 46.400 8.717 1.00 29.58 N -ATOM 5014 CA THR E 72 14.527 46.295 9.591 1.00 32.65 C -ATOM 5015 C THR E 72 13.269 46.570 8.777 1.00 31.59 C -ATOM 5016 O THR E 72 12.158 46.240 9.184 1.00 35.78 O -ATOM 5017 CB THR E 72 14.643 47.275 10.791 1.00 36.96 C -ATOM 5018 OG1 THR E 72 13.359 47.445 11.408 1.00 42.51 O -ATOM 5019 CG2 THR E 72 15.185 48.629 10.343 1.00 30.91 C -ATOM 5020 N GLU E 73 13.463 47.140 7.597 1.00 30.79 N -ATOM 5021 CA GLU E 73 12.353 47.482 6.725 1.00 29.47 C -ATOM 5022 C GLU E 73 11.804 46.325 5.899 1.00 27.30 C -ATOM 5023 O GLU E 73 10.586 46.241 5.719 1.00 30.76 O -ATOM 5024 CB GLU E 73 12.741 48.641 5.802 1.00 33.99 C -ATOM 5025 CG GLU E 73 12.984 49.970 6.518 1.00 42.48 C -ATOM 5026 CD GLU E 73 14.457 50.302 6.744 1.00 45.45 C -ATOM 5027 OE1 GLU E 73 15.327 49.419 6.598 1.00 47.70 O -ATOM 5028 OE2 GLU E 73 14.749 51.473 7.066 1.00 54.89 O -ATOM 5029 N ASP E 74 12.677 45.410 5.454 1.00 24.01 N -ATOM 5030 CA ASP E 74 12.257 44.279 4.609 1.00 20.12 C -ATOM 5031 C ASP E 74 12.551 42.906 5.183 1.00 16.76 C -ATOM 5032 O ASP E 74 13.587 42.705 5.786 1.00 20.65 O -ATOM 5033 CB ASP E 74 12.921 44.364 3.220 1.00 32.50 C -ATOM 5034 CG ASP E 74 12.879 45.772 2.616 1.00 32.71 C -ATOM 5035 OD1 ASP E 74 11.799 46.199 2.131 1.00 30.48 O -ATOM 5036 OD2 ASP E 74 13.942 46.441 2.634 1.00 33.30 O -ATOM 5037 N PHE E 75 11.672 41.949 4.893 1.00 21.48 N -ATOM 5038 CA PHE E 75 11.783 40.548 5.352 1.00 21.67 C -ATOM 5039 C PHE E 75 11.276 39.644 4.183 1.00 23.16 C -ATOM 5040 O PHE E 75 10.118 39.222 4.168 1.00 23.83 O -ATOM 5041 CB PHE E 75 10.905 40.363 6.620 1.00 17.45 C -ATOM 5042 CG PHE E 75 11.091 39.034 7.323 1.00 17.97 C -ATOM 5043 CD1 PHE E 75 12.370 38.567 7.649 1.00 17.87 C -ATOM 5044 CD2 PHE E 75 9.987 38.233 7.632 1.00 13.49 C -ATOM 5045 CE1 PHE E 75 12.544 37.310 8.269 1.00 15.43 C -ATOM 5046 CE2 PHE E 75 10.145 36.986 8.246 1.00 10.22 C -ATOM 5047 CZ PHE E 75 11.424 36.521 8.563 1.00 9.07 C -ATOM 5048 N PRO E 76 12.129 39.367 3.181 1.00 20.65 N -ATOM 5049 CA PRO E 76 11.807 38.545 2.001 1.00 17.07 C -ATOM 5050 C PRO E 76 11.730 37.030 2.172 1.00 21.28 C -ATOM 5051 O PRO E 76 12.697 36.390 2.596 1.00 28.69 O -ATOM 5052 CB PRO E 76 12.922 38.906 1.029 1.00 22.94 C -ATOM 5053 CG PRO E 76 14.101 39.100 1.936 1.00 22.67 C -ATOM 5054 CD PRO E 76 13.507 39.895 3.097 1.00 21.80 C -ATOM 5055 N LEU E 77 10.620 36.448 1.735 1.00 18.53 N -ATOM 5056 CA LEU E 77 10.401 35.007 1.825 1.00 16.76 C -ATOM 5057 C LEU E 77 10.755 34.250 0.539 1.00 23.22 C -ATOM 5058 O LEU E 77 9.991 34.283 -0.418 1.00 29.09 O -ATOM 5059 CB LEU E 77 8.937 34.741 2.148 1.00 14.15 C -ATOM 5060 CG LEU E 77 8.533 33.275 2.116 1.00 13.38 C -ATOM 5061 CD1 LEU E 77 9.439 32.502 3.065 1.00 14.81 C -ATOM 5062 CD2 LEU E 77 7.062 33.105 2.489 1.00 9.27 C -ATOM 5063 N ARG E 78 11.844 33.489 0.550 1.00 22.41 N -ATOM 5064 CA ARG E 78 12.278 32.725 -0.625 1.00 17.94 C -ATOM 5065 C ARG E 78 11.860 31.271 -0.662 1.00 18.89 C -ATOM 5066 O ARG E 78 11.974 30.557 0.321 1.00 26.03 O -ATOM 5067 CB ARG E 78 13.817 32.807 -0.795 1.00 12.27 C -ATOM 5068 N LEU E 79 11.319 30.858 -1.798 1.00 26.58 N -ATOM 5069 CA LEU E 79 10.955 29.465 -2.065 1.00 30.29 C -ATOM 5070 C LEU E 79 12.098 29.061 -3.031 1.00 34.84 C -ATOM 5071 O LEU E 79 12.127 29.516 -4.182 1.00 33.66 O -ATOM 5072 CB LEU E 79 9.596 29.368 -2.788 1.00 21.05 C -ATOM 5073 CG LEU E 79 8.258 29.462 -2.042 1.00 21.18 C -ATOM 5074 CD1 LEU E 79 7.958 30.870 -1.593 1.00 23.99 C -ATOM 5075 CD2 LEU E 79 7.146 28.979 -2.943 1.00 15.42 C -ATOM 5076 N LEU E 80 13.065 28.269 -2.564 1.00 37.05 N -ATOM 5077 CA LEU E 80 14.192 27.907 -3.425 1.00 36.70 C -ATOM 5078 C LEU E 80 13.894 27.033 -4.649 1.00 34.86 C -ATOM 5079 O LEU E 80 14.579 27.140 -5.663 1.00 33.14 O -ATOM 5080 CB LEU E 80 15.358 27.352 -2.604 1.00 45.16 C -ATOM 5081 CG LEU E 80 16.240 28.441 -1.966 1.00 52.37 C -ATOM 5082 CD1 LEU E 80 17.503 27.818 -1.369 1.00 54.14 C -ATOM 5083 CD2 LEU E 80 16.641 29.481 -3.023 1.00 54.43 C -ATOM 5084 N SER E 81 12.877 26.183 -4.553 1.00 31.80 N -ATOM 5085 CA SER E 81 12.461 25.321 -5.655 1.00 31.81 C -ATOM 5086 C SER E 81 11.048 24.885 -5.334 1.00 26.50 C -ATOM 5087 O SER E 81 10.829 24.017 -4.499 1.00 27.66 O -ATOM 5088 CB SER E 81 13.400 24.115 -5.862 1.00 37.98 C -ATOM 5089 OG SER E 81 13.399 23.210 -4.772 1.00 52.34 O -ATOM 5090 N ALA E 82 10.092 25.541 -5.983 1.00 23.49 N -ATOM 5091 CA ALA E 82 8.680 25.305 -5.761 1.00 19.68 C -ATOM 5092 C ALA E 82 8.208 23.851 -5.809 1.00 24.94 C -ATOM 5093 O ALA E 82 8.818 22.988 -6.463 1.00 28.22 O -ATOM 5094 CB ALA E 82 7.861 26.178 -6.685 1.00 12.13 C -ATOM 5095 N ALA E 83 7.114 23.610 -5.087 1.00 24.24 N -ATOM 5096 CA ALA E 83 6.477 22.307 -4.960 1.00 23.66 C -ATOM 5097 C ALA E 83 4.985 22.579 -4.779 1.00 26.55 C -ATOM 5098 O ALA E 83 4.612 23.564 -4.141 1.00 30.50 O -ATOM 5099 CB ALA E 83 7.024 21.587 -3.732 1.00 25.41 C -ATOM 5100 N PRO E 84 4.115 21.692 -5.298 1.00 20.04 N -ATOM 5101 CA PRO E 84 2.656 21.802 -5.222 1.00 20.18 C -ATOM 5102 C PRO E 84 2.103 22.079 -3.836 1.00 27.82 C -ATOM 5103 O PRO E 84 1.048 22.702 -3.688 1.00 29.81 O -ATOM 5104 CB PRO E 84 2.201 20.453 -5.741 1.00 17.98 C -ATOM 5105 CG PRO E 84 3.255 20.134 -6.748 1.00 17.36 C -ATOM 5106 CD PRO E 84 4.501 20.479 -6.030 1.00 15.72 C -ATOM 5107 N SER E 85 2.813 21.607 -2.819 1.00 30.22 N -ATOM 5108 CA SER E 85 2.397 21.794 -1.434 1.00 29.29 C -ATOM 5109 C SER E 85 2.466 23.259 -0.970 1.00 30.55 C -ATOM 5110 O SER E 85 1.725 23.671 -0.074 1.00 31.93 O -ATOM 5111 CB SER E 85 3.253 20.901 -0.529 1.00 31.14 C -ATOM 5112 OG SER E 85 4.617 20.932 -0.927 1.00 32.85 O -ATOM 5113 N GLN E 86 3.357 24.037 -1.580 1.00 30.18 N -ATOM 5114 CA GLN E 86 3.524 25.441 -1.226 1.00 28.69 C -ATOM 5115 C GLN E 86 2.429 26.336 -1.826 1.00 29.28 C -ATOM 5116 O GLN E 86 2.481 27.565 -1.741 1.00 28.86 O -ATOM 5117 CB GLN E 86 4.923 25.911 -1.610 1.00 22.66 C -ATOM 5118 CG GLN E 86 5.990 24.941 -1.116 1.00 25.92 C -ATOM 5119 CD GLN E 86 7.385 25.505 -1.143 1.00 23.95 C -ATOM 5120 OE1 GLN E 86 8.326 24.862 -1.582 1.00 32.50 O -ATOM 5121 NE2 GLN E 86 7.530 26.704 -0.643 1.00 42.68 N -ATOM 5122 N THR E 87 1.422 25.701 -2.412 1.00 28.26 N -ATOM 5123 CA THR E 87 0.295 26.401 -3.002 1.00 26.71 C -ATOM 5124 C THR E 87 -0.543 26.911 -1.837 1.00 28.63 C -ATOM 5125 O THR E 87 -1.185 26.126 -1.144 1.00 32.66 O -ATOM 5126 CB THR E 87 -0.542 25.428 -3.867 1.00 20.06 C -ATOM 5127 OG1 THR E 87 0.247 24.967 -4.966 1.00 18.81 O -ATOM 5128 CG2 THR E 87 -1.784 26.098 -4.401 1.00 16.49 C -ATOM 5129 N SER E 88 -0.538 28.221 -1.622 1.00 28.94 N -ATOM 5130 CA SER E 88 -1.285 28.798 -0.518 1.00 30.51 C -ATOM 5131 C SER E 88 -1.321 30.320 -0.650 1.00 30.45 C -ATOM 5132 O SER E 88 -0.913 30.872 -1.668 1.00 32.34 O -ATOM 5133 CB SER E 88 -0.599 28.379 0.796 1.00 35.72 C -ATOM 5134 OG SER E 88 -1.325 28.765 1.946 1.00 40.28 O -ATOM 5135 N VAL E 89 -1.863 30.986 0.368 1.00 32.55 N -ATOM 5136 CA VAL E 89 -1.956 32.453 0.425 1.00 24.25 C -ATOM 5137 C VAL E 89 -0.998 32.807 1.547 1.00 17.51 C -ATOM 5138 O VAL E 89 -1.130 32.270 2.631 1.00 16.05 O -ATOM 5139 CB VAL E 89 -3.374 32.906 0.813 1.00 21.37 C -ATOM 5140 CG1 VAL E 89 -3.438 34.399 0.903 1.00 21.64 C -ATOM 5141 CG2 VAL E 89 -4.370 32.414 -0.209 1.00 22.40 C -ATOM 5142 N TYR E 90 -0.004 33.645 1.259 1.00 17.79 N -ATOM 5143 CA TYR E 90 1.025 34.030 2.220 1.00 9.51 C -ATOM 5144 C TYR E 90 0.817 35.424 2.764 1.00 17.78 C -ATOM 5145 O TYR E 90 0.513 36.344 2.007 1.00 17.00 O -ATOM 5146 CB TYR E 90 2.408 33.962 1.573 1.00 13.87 C -ATOM 5147 CG TYR E 90 2.834 32.568 1.143 1.00 22.71 C -ATOM 5148 CD1 TYR E 90 2.101 31.849 0.198 1.00 26.04 C -ATOM 5149 CD2 TYR E 90 3.949 31.954 1.706 1.00 26.10 C -ATOM 5150 CE1 TYR E 90 2.464 30.551 -0.171 1.00 23.84 C -ATOM 5151 CE2 TYR E 90 4.321 30.656 1.338 1.00 31.22 C -ATOM 5152 CZ TYR E 90 3.566 29.959 0.399 1.00 30.23 C -ATOM 5153 OH TYR E 90 3.894 28.668 0.040 1.00 26.61 O -ATOM 5154 N PHE E 91 0.969 35.569 4.084 1.00 21.95 N -ATOM 5155 CA PHE E 91 0.800 36.855 4.758 1.00 17.05 C -ATOM 5156 C PHE E 91 2.037 37.253 5.527 1.00 19.25 C -ATOM 5157 O PHE E 91 2.690 36.420 6.135 1.00 22.14 O -ATOM 5158 CB PHE E 91 -0.363 36.806 5.718 1.00 15.44 C -ATOM 5159 CG PHE E 91 -1.668 36.619 5.052 1.00 17.98 C -ATOM 5160 CD1 PHE E 91 -2.365 37.709 4.560 1.00 15.58 C -ATOM 5161 CD2 PHE E 91 -2.216 35.350 4.930 1.00 16.29 C -ATOM 5162 CE1 PHE E 91 -3.601 37.539 3.952 1.00 19.19 C -ATOM 5163 CE2 PHE E 91 -3.457 35.167 4.323 1.00 18.80 C -ATOM 5164 CZ PHE E 91 -4.150 36.263 3.834 1.00 17.80 C -ATOM 5165 N CYS E 92 2.340 38.541 5.521 1.00 17.30 N -ATOM 5166 CA CYS E 92 3.489 39.034 6.223 1.00 15.40 C -ATOM 5167 C CYS E 92 2.959 39.861 7.368 1.00 23.03 C -ATOM 5168 O CYS E 92 1.932 40.529 7.211 1.00 24.32 O -ATOM 5169 CB CYS E 92 4.301 39.910 5.312 1.00 15.57 C -ATOM 5170 SG CYS E 92 5.840 40.403 6.119 1.00 39.87 S -ATOM 5171 N ALA E 93 3.643 39.832 8.507 1.00 25.11 N -ATOM 5172 CA ALA E 93 3.206 40.595 9.676 1.00 25.98 C -ATOM 5173 C ALA E 93 4.342 41.244 10.423 1.00 25.88 C -ATOM 5174 O ALA E 93 5.477 40.790 10.366 1.00 30.81 O -ATOM 5175 CB ALA E 93 2.431 39.715 10.620 1.00 25.70 C -ATOM 5176 N SER E 94 4.038 42.333 11.104 1.00 27.02 N -ATOM 5177 CA SER E 94 5.051 43.009 11.885 1.00 29.91 C -ATOM 5178 C SER E 94 4.452 43.590 13.181 1.00 29.37 C -ATOM 5179 O SER E 94 3.224 43.723 13.319 1.00 19.73 O -ATOM 5180 CB SER E 94 5.785 44.075 11.040 1.00 26.32 C -ATOM 5181 OG SER E 94 5.062 45.289 10.920 1.00 30.88 O -ATOM 5182 N SER E 95 5.327 43.798 14.164 1.00 28.15 N -ATOM 5183 CA SER E 95 4.975 44.361 15.460 1.00 25.49 C -ATOM 5184 C SER E 95 6.263 44.889 16.085 1.00 26.94 C -ATOM 5185 O SER E 95 7.363 44.658 15.560 1.00 27.28 O -ATOM 5186 CB SER E 95 4.269 43.329 16.372 1.00 25.59 C -ATOM 5187 OG SER E 95 5.013 42.137 16.601 1.00 25.70 O -ATOM 5188 N TYR E 96 6.126 45.633 17.177 1.00 29.07 N -ATOM 5189 CA TYR E 96 7.268 46.219 17.877 1.00 27.64 C -ATOM 5190 C TYR E 96 7.070 45.911 19.354 1.00 25.84 C -ATOM 5191 O TYR E 96 6.622 46.758 20.128 1.00 24.34 O -ATOM 5192 CB TYR E 96 7.268 47.722 17.635 1.00 25.19 C -ATOM 5193 CG TYR E 96 8.380 48.496 18.281 1.00 23.44 C -ATOM 5194 CD1 TYR E 96 9.637 47.936 18.497 1.00 18.59 C -ATOM 5195 CD2 TYR E 96 8.185 49.824 18.618 1.00 30.74 C -ATOM 5196 CE1 TYR E 96 10.669 48.697 19.027 1.00 23.33 C -ATOM 5197 CE2 TYR E 96 9.199 50.593 19.147 1.00 30.68 C -ATOM 5198 CZ TYR E 96 10.439 50.036 19.349 1.00 30.95 C -ATOM 5199 OH TYR E 96 11.433 50.859 19.852 1.00 37.20 O -ATOM 5200 N PRO E 97 7.411 44.680 19.756 1.00 25.23 N -ATOM 5201 CA PRO E 97 7.297 44.162 21.124 1.00 27.81 C -ATOM 5202 C PRO E 97 7.955 45.007 22.244 1.00 26.91 C -ATOM 5203 O PRO E 97 7.265 45.479 23.164 1.00 21.63 O -ATOM 5204 CB PRO E 97 7.920 42.758 21.000 1.00 27.09 C -ATOM 5205 CG PRO E 97 7.633 42.380 19.566 1.00 19.74 C -ATOM 5206 CD PRO E 97 7.995 43.657 18.866 1.00 22.22 C -ATOM 5207 N GLY E 98 9.270 45.208 22.140 1.00 24.51 N -ATOM 5208 CA GLY E 98 10.026 45.965 23.127 1.00 19.21 C -ATOM 5209 C GLY E 98 9.639 47.424 23.266 1.00 26.24 C -ATOM 5210 O GLY E 98 10.326 48.197 23.932 1.00 27.78 O -ATOM 5211 N GLY E 99 8.567 47.817 22.590 1.00 29.50 N -ATOM 5212 CA GLY E 99 8.097 49.186 22.674 1.00 24.43 C -ATOM 5213 C GLY E 99 6.631 49.275 23.066 1.00 20.91 C -ATOM 5214 O GLY E 99 6.092 50.367 23.124 1.00 27.04 O -ATOM 5215 N GLY E 100 5.989 48.148 23.365 1.00 19.15 N -ATOM 5216 CA GLY E 100 4.584 48.175 23.745 1.00 17.19 C -ATOM 5217 C GLY E 100 3.595 47.719 22.672 1.00 24.44 C -ATOM 5218 O GLY E 100 2.405 47.558 22.950 1.00 22.04 O -ATOM 5219 N PHE E 101 4.073 47.471 21.452 1.00 27.55 N -ATOM 5220 CA PHE E 101 3.206 47.031 20.359 1.00 26.76 C -ATOM 5221 C PHE E 101 3.308 45.525 20.197 1.00 31.73 C -ATOM 5222 O PHE E 101 4.134 45.043 19.419 1.00 32.30 O -ATOM 5223 CB PHE E 101 3.630 47.713 19.067 1.00 29.88 C -ATOM 5224 CG PHE E 101 3.805 49.184 19.206 1.00 33.73 C -ATOM 5225 CD1 PHE E 101 5.015 49.705 19.629 1.00 38.33 C -ATOM 5226 CD2 PHE E 101 2.737 50.050 18.986 1.00 40.71 C -ATOM 5227 CE1 PHE E 101 5.171 51.078 19.839 1.00 45.89 C -ATOM 5228 CE2 PHE E 101 2.873 51.423 19.192 1.00 44.62 C -ATOM 5229 CZ PHE E 101 4.097 51.939 19.623 1.00 47.41 C -ATOM 5230 N TYR E 104 2.501 44.793 20.966 1.00 33.77 N -ATOM 5231 CA TYR E 104 2.507 43.328 20.933 1.00 40.37 C -ATOM 5232 C TYR E 104 1.531 42.879 19.853 1.00 45.61 C -ATOM 5233 O TYR E 104 1.712 41.826 19.219 1.00 47.17 O -ATOM 5234 CB TYR E 104 2.088 42.734 22.300 1.00 41.89 C -ATOM 5235 CG TYR E 104 2.566 43.509 23.522 1.00 39.51 C -ATOM 5236 CD1 TYR E 104 3.923 43.695 23.775 1.00 42.61 C -ATOM 5237 CD2 TYR E 104 1.658 44.104 24.383 1.00 39.57 C -ATOM 5238 CE1 TYR E 104 4.362 44.456 24.856 1.00 38.51 C -ATOM 5239 CE2 TYR E 104 2.088 44.866 25.467 1.00 45.60 C -ATOM 5240 CZ TYR E 104 3.440 45.040 25.692 1.00 40.66 C -ATOM 5241 OH TYR E 104 3.860 45.799 26.756 1.00 47.98 O -ATOM 5242 N GLU E 105 0.494 43.696 19.666 1.00 50.21 N -ATOM 5243 CA GLU E 105 -0.563 43.472 18.672 1.00 51.01 C -ATOM 5244 C GLU E 105 0.058 43.462 17.259 1.00 46.06 C -ATOM 5245 O GLU E 105 0.678 44.449 16.840 1.00 45.29 O -ATOM 5246 CB GLU E 105 -1.617 44.589 18.792 1.00 60.02 C -ATOM 5247 CG GLU E 105 -2.644 44.448 19.935 1.00 65.65 C -ATOM 5248 CD GLU E 105 -2.032 44.251 21.321 1.00 69.18 C -ATOM 5249 OE1 GLU E 105 -1.438 45.202 21.872 1.00 72.28 O -ATOM 5250 OE2 GLU E 105 -2.171 43.140 21.872 1.00 70.27 O -ATOM 5251 N GLN E 106 -0.136 42.368 16.526 1.00 40.12 N -ATOM 5252 CA GLN E 106 0.447 42.218 15.190 1.00 36.73 C -ATOM 5253 C GLN E 106 -0.338 42.731 14.006 1.00 33.92 C -ATOM 5254 O GLN E 106 -1.552 42.567 13.929 1.00 32.57 O -ATOM 5255 CB GLN E 106 0.830 40.780 14.945 1.00 31.83 C -ATOM 5256 CG GLN E 106 2.242 40.665 14.551 1.00 33.00 C -ATOM 5257 CD GLN E 106 2.782 39.291 14.758 1.00 39.43 C -ATOM 5258 OE1 GLN E 106 2.074 38.298 14.647 1.00 47.91 O -ATOM 5259 NE2 GLN E 106 4.055 39.218 15.058 1.00 50.54 N -ATOM 5260 N TYR E 107 0.396 43.303 13.058 1.00 33.87 N -ATOM 5261 CA TYR E 107 -0.172 43.896 11.849 1.00 38.58 C -ATOM 5262 C TYR E 107 0.114 43.069 10.611 1.00 34.68 C -ATOM 5263 O TYR E 107 1.276 42.826 10.303 1.00 33.87 O -ATOM 5264 CB TYR E 107 0.409 45.296 11.648 1.00 42.82 C -ATOM 5265 CG TYR E 107 0.056 46.279 12.741 1.00 51.88 C -ATOM 5266 CD1 TYR E 107 -1.236 46.336 13.265 1.00 60.67 C -ATOM 5267 CD2 TYR E 107 0.998 47.180 13.222 1.00 55.15 C -ATOM 5268 CE1 TYR E 107 -1.583 47.275 14.239 1.00 65.30 C -ATOM 5269 CE2 TYR E 107 0.665 48.124 14.192 1.00 61.53 C -ATOM 5270 CZ TYR E 107 -0.626 48.170 14.697 1.00 65.56 C -ATOM 5271 OH TYR E 107 -0.969 49.120 15.641 1.00 70.34 O -ATOM 5272 N PHE E 108 -0.933 42.686 9.880 1.00 34.17 N -ATOM 5273 CA PHE E 108 -0.781 41.877 8.657 1.00 35.42 C -ATOM 5274 C PHE E 108 -0.817 42.585 7.279 1.00 31.14 C -ATOM 5275 O PHE E 108 -1.647 43.461 7.022 1.00 24.85 O -ATOM 5276 CB PHE E 108 -1.790 40.726 8.664 1.00 31.76 C -ATOM 5277 CG PHE E 108 -1.480 39.664 9.676 1.00 34.30 C -ATOM 5278 CD1 PHE E 108 -1.794 39.847 11.009 1.00 26.02 C -ATOM 5279 CD2 PHE E 108 -0.873 38.475 9.288 1.00 33.91 C -ATOM 5280 CE1 PHE E 108 -1.510 38.867 11.933 1.00 23.84 C -ATOM 5281 CE2 PHE E 108 -0.586 37.490 10.217 1.00 28.26 C -ATOM 5282 CZ PHE E 108 -0.908 37.689 11.539 1.00 24.28 C -ATOM 5283 N GLY E 109 0.086 42.180 6.391 1.00 30.08 N -ATOM 5284 CA GLY E 109 0.119 42.745 5.060 1.00 31.38 C -ATOM 5285 C GLY E 109 -1.090 42.193 4.315 1.00 36.16 C -ATOM 5286 O GLY E 109 -1.755 41.268 4.810 1.00 34.87 O -ATOM 5287 N PRO E 110 -1.374 42.684 3.100 1.00 34.53 N -ATOM 5288 CA PRO E 110 -2.529 42.200 2.335 1.00 27.56 C -ATOM 5289 C PRO E 110 -2.562 40.708 1.925 1.00 28.53 C -ATOM 5290 O PRO E 110 -3.644 40.146 1.748 1.00 30.96 O -ATOM 5291 CB PRO E 110 -2.575 43.161 1.153 1.00 27.48 C -ATOM 5292 CG PRO E 110 -1.137 43.586 0.994 1.00 33.11 C -ATOM 5293 CD PRO E 110 -0.686 43.786 2.397 1.00 29.67 C -ATOM 5294 N GLY E 111 -1.398 40.076 1.785 1.00 28.47 N -ATOM 5295 CA GLY E 111 -1.345 38.664 1.415 1.00 25.50 C -ATOM 5296 C GLY E 111 -1.055 38.428 -0.053 1.00 28.91 C -ATOM 5297 O GLY E 111 -1.446 39.232 -0.895 1.00 34.43 O -ATOM 5298 N THR E 112 -0.348 37.350 -0.370 1.00 26.01 N -ATOM 5299 CA THR E 112 -0.033 37.034 -1.758 1.00 21.72 C -ATOM 5300 C THR E 112 -0.430 35.603 -2.092 1.00 22.62 C -ATOM 5301 O THR E 112 0.011 34.672 -1.405 1.00 20.80 O -ATOM 5302 CB THR E 112 1.495 37.242 -2.135 1.00 19.46 C -ATOM 5303 OG1 THR E 112 2.189 35.993 -2.155 1.00 25.07 O -ATOM 5304 CG2 THR E 112 2.203 38.154 -1.187 1.00 17.26 C -ATOM 5305 N ARG E 113 -1.298 35.431 -3.100 1.00 21.57 N -ATOM 5306 CA ARG E 113 -1.730 34.094 -3.535 1.00 22.34 C -ATOM 5307 C ARG E 113 -0.679 33.479 -4.426 1.00 20.33 C -ATOM 5308 O ARG E 113 -0.171 34.117 -5.350 1.00 19.49 O -ATOM 5309 CB ARG E 113 -3.031 34.114 -4.323 1.00 24.73 C -ATOM 5310 CG ARG E 113 -4.288 34.093 -3.509 1.00 35.90 C -ATOM 5311 CD ARG E 113 -5.469 33.713 -4.398 1.00 44.06 C -ATOM 5312 NE ARG E 113 -5.725 32.274 -4.374 1.00 55.68 N -ATOM 5313 CZ ARG E 113 -6.631 31.704 -3.588 1.00 62.73 C -ATOM 5314 NH1 ARG E 113 -7.363 32.449 -2.769 1.00 69.03 N -ATOM 5315 NH2 ARG E 113 -6.793 30.388 -3.595 1.00 69.66 N -ATOM 5316 N LEU E 114 -0.394 32.215 -4.188 1.00 20.68 N -ATOM 5317 CA LEU E 114 0.611 31.535 -4.960 1.00 24.13 C -ATOM 5318 C LEU E 114 0.081 30.163 -5.311 1.00 29.59 C -ATOM 5319 O LEU E 114 -0.568 29.515 -4.487 1.00 36.14 O -ATOM 5320 CB LEU E 114 1.880 31.422 -4.138 1.00 12.24 C -ATOM 5321 CG LEU E 114 3.101 30.925 -4.880 1.00 17.46 C -ATOM 5322 CD1 LEU E 114 4.233 31.879 -4.607 1.00 30.16 C -ATOM 5323 CD2 LEU E 114 3.455 29.518 -4.452 1.00 16.78 C -ATOM 5324 N THR E 115 0.291 29.768 -6.565 1.00 29.88 N -ATOM 5325 CA THR E 115 -0.138 28.465 -7.063 1.00 26.71 C -ATOM 5326 C THR E 115 1.021 27.842 -7.835 1.00 26.55 C -ATOM 5327 O THR E 115 1.727 28.523 -8.576 1.00 27.95 O -ATOM 5328 CB THR E 115 -1.366 28.566 -7.976 1.00 26.88 C -ATOM 5329 OG1 THR E 115 -2.457 29.183 -7.276 1.00 29.60 O -ATOM 5330 CG2 THR E 115 -1.798 27.196 -8.404 1.00 33.52 C -ATOM 5331 N VAL E 116 1.282 26.569 -7.587 1.00 28.01 N -ATOM 5332 CA VAL E 116 2.367 25.899 -8.281 1.00 29.27 C -ATOM 5333 C VAL E 116 1.850 24.653 -9.009 1.00 33.13 C -ATOM 5334 O VAL E 116 1.083 23.865 -8.439 1.00 29.36 O -ATOM 5335 CB VAL E 116 3.550 25.621 -7.310 1.00 26.35 C -ATOM 5336 CG1 VAL E 116 3.033 25.170 -5.998 1.00 31.28 C -ATOM 5337 CG2 VAL E 116 4.518 24.603 -7.874 1.00 27.07 C -ATOM 5338 N THR E 117 2.151 24.580 -10.312 1.00 37.90 N -ATOM 5339 CA THR E 117 1.757 23.457 -11.171 1.00 36.10 C -ATOM 5340 C THR E 117 2.951 22.679 -11.680 1.00 41.16 C -ATOM 5341 O THR E 117 4.080 23.188 -11.731 1.00 39.95 O -ATOM 5342 CB THR E 117 1.004 23.900 -12.431 1.00 30.56 C -ATOM 5343 OG1 THR E 117 1.041 25.323 -12.548 1.00 33.35 O -ATOM 5344 CG2 THR E 117 -0.411 23.390 -12.409 1.00 26.58 C -ATOM 5345 N GLU E 118 2.670 21.450 -12.106 1.00 44.58 N -ATOM 5346 CA GLU E 118 3.686 20.565 -12.645 1.00 45.33 C -ATOM 5347 C GLU E 118 4.055 21.031 -14.042 1.00 42.76 C -ATOM 5348 O GLU E 118 5.231 21.051 -14.388 1.00 42.39 O -ATOM 5349 CB GLU E 118 3.171 19.124 -12.683 1.00 52.30 C -ATOM 5350 CG GLU E 118 4.052 18.136 -11.912 1.00 60.14 C -ATOM 5351 CD GLU E 118 4.156 18.455 -10.420 1.00 66.63 C -ATOM 5352 OE1 GLU E 118 3.118 18.783 -9.796 1.00 71.20 O -ATOM 5353 OE2 GLU E 118 5.278 18.369 -9.872 1.00 67.29 O -ATOM 5354 N ASP E 119 3.042 21.440 -14.816 1.00 44.78 N -ATOM 5355 CA ASP E 119 3.211 21.920 -16.201 1.00 40.98 C -ATOM 5356 C ASP E 119 2.464 23.239 -16.501 1.00 38.30 C -ATOM 5357 O ASP E 119 1.230 23.315 -16.373 1.00 36.73 O -ATOM 5358 CB ASP E 119 2.762 20.826 -17.200 1.00 37.84 C -ATOM 5359 N LEU E 120 3.213 24.249 -16.954 1.00 34.46 N -ATOM 5360 CA LEU E 120 2.670 25.573 -17.303 1.00 30.64 C -ATOM 5361 C LEU E 120 1.621 25.593 -18.415 1.00 32.66 C -ATOM 5362 O LEU E 120 0.989 26.619 -18.654 1.00 31.21 O -ATOM 5363 CB LEU E 120 3.794 26.537 -17.671 1.00 23.00 C -ATOM 5364 CG LEU E 120 4.540 27.039 -16.438 1.00 36.66 C -ATOM 5365 CD1 LEU E 120 5.729 27.898 -16.830 1.00 31.43 C -ATOM 5366 CD2 LEU E 120 3.566 27.821 -15.554 1.00 35.44 C -ATOM 5367 N LYS E 121 1.433 24.456 -19.078 1.00 32.89 N -ATOM 5368 CA LYS E 121 0.460 24.333 -20.145 1.00 29.12 C -ATOM 5369 C LYS E 121 -0.917 24.280 -19.491 1.00 34.27 C -ATOM 5370 O LYS E 121 -1.945 24.282 -20.177 1.00 31.00 O -ATOM 5371 CB LYS E 121 0.728 23.060 -20.934 1.00 33.76 C -ATOM 5372 N ASN E 122 -0.913 24.220 -18.153 1.00 37.38 N -ATOM 5373 CA ASN E 122 -2.125 24.170 -17.324 1.00 34.78 C -ATOM 5374 C ASN E 122 -2.758 25.530 -17.109 1.00 31.34 C -ATOM 5375 O ASN E 122 -3.948 25.633 -16.789 1.00 34.40 O -ATOM 5376 CB ASN E 122 -1.806 23.592 -15.952 1.00 36.23 C -ATOM 5377 CG ASN E 122 -1.629 22.111 -15.981 1.00 34.78 C -ATOM 5378 OD1 ASN E 122 -2.423 21.399 -16.585 1.00 37.94 O -ATOM 5379 ND2 ASN E 122 -0.604 21.625 -15.309 1.00 36.21 N -ATOM 5380 N VAL E 123 -1.937 26.565 -17.207 1.00 25.31 N -ATOM 5381 CA VAL E 123 -2.414 27.918 -17.021 1.00 26.14 C -ATOM 5382 C VAL E 123 -3.338 28.235 -18.191 1.00 28.02 C -ATOM 5383 O VAL E 123 -2.977 28.017 -19.333 1.00 25.68 O -ATOM 5384 CB VAL E 123 -1.236 28.911 -16.972 1.00 26.63 C -ATOM 5385 CG1 VAL E 123 -1.732 30.293 -16.583 1.00 26.27 C -ATOM 5386 CG2 VAL E 123 -0.170 28.419 -15.981 1.00 26.30 C -ATOM 5387 N PHE E 124 -4.531 28.736 -17.889 1.00 28.05 N -ATOM 5388 CA PHE E 124 -5.530 29.074 -18.878 1.00 25.42 C -ATOM 5389 C PHE E 124 -6.224 30.366 -18.505 1.00 27.56 C -ATOM 5390 O PHE E 124 -6.569 30.558 -17.352 1.00 33.63 O -ATOM 5391 CB PHE E 124 -6.620 28.009 -18.881 1.00 33.53 C -ATOM 5392 CG PHE E 124 -6.296 26.789 -19.679 1.00 48.29 C -ATOM 5393 CD1 PHE E 124 -6.349 26.821 -21.068 1.00 52.55 C -ATOM 5394 CD2 PHE E 124 -6.006 25.587 -19.051 1.00 53.54 C -ATOM 5395 CE1 PHE E 124 -6.118 25.673 -21.819 1.00 53.18 C -ATOM 5396 CE2 PHE E 124 -5.771 24.426 -19.800 1.00 53.28 C -ATOM 5397 CZ PHE E 124 -5.830 24.472 -21.179 1.00 52.82 C -ATOM 5398 N PRO E 125 -6.371 31.300 -19.438 1.00 30.97 N -ATOM 5399 CA PRO E 125 -7.057 32.559 -19.124 1.00 29.24 C -ATOM 5400 C PRO E 125 -8.555 32.242 -19.013 1.00 25.15 C -ATOM 5401 O PRO E 125 -9.007 31.169 -19.426 1.00 29.02 O -ATOM 5402 CB PRO E 125 -6.782 33.420 -20.350 1.00 27.13 C -ATOM 5403 CG PRO E 125 -5.433 32.961 -20.766 1.00 34.17 C -ATOM 5404 CD PRO E 125 -5.564 31.462 -20.669 1.00 35.88 C -ATOM 5405 N PRO E 126 -9.338 33.172 -18.450 1.00 23.09 N -ATOM 5406 CA PRO E 126 -10.787 32.953 -18.313 1.00 24.17 C -ATOM 5407 C PRO E 126 -11.621 33.244 -19.568 1.00 33.44 C -ATOM 5408 O PRO E 126 -11.193 33.971 -20.475 1.00 35.70 O -ATOM 5409 CB PRO E 126 -11.149 33.931 -17.201 1.00 15.34 C -ATOM 5410 CG PRO E 126 -10.222 35.089 -17.487 1.00 13.55 C -ATOM 5411 CD PRO E 126 -8.912 34.402 -17.766 1.00 10.45 C -ATOM 5412 N GLU E 127 -12.837 32.704 -19.600 1.00 37.64 N -ATOM 5413 CA GLU E 127 -13.764 32.952 -20.704 1.00 40.86 C -ATOM 5414 C GLU E 127 -15.019 33.553 -20.076 1.00 39.21 C -ATOM 5415 O GLU E 127 -15.936 32.837 -19.669 1.00 42.34 O -ATOM 5416 CB GLU E 127 -14.092 31.661 -21.473 1.00 45.44 C -ATOM 5417 CG GLU E 127 -13.164 31.410 -22.661 1.00 45.76 C -ATOM 5418 CD GLU E 127 -13.462 30.129 -23.404 1.00 45.70 C -ATOM 5419 OE1 GLU E 127 -14.652 29.791 -23.587 1.00 40.67 O -ATOM 5420 OE2 GLU E 127 -12.488 29.467 -23.814 1.00 50.69 O -ATOM 5421 N VAL E 128 -15.053 34.874 -19.989 1.00 35.47 N -ATOM 5422 CA VAL E 128 -16.189 35.522 -19.358 1.00 34.88 C -ATOM 5423 C VAL E 128 -17.356 35.772 -20.300 1.00 33.79 C -ATOM 5424 O VAL E 128 -17.178 35.863 -21.508 1.00 31.57 O -ATOM 5425 CB VAL E 128 -15.755 36.789 -18.546 1.00 34.96 C -ATOM 5426 CG1 VAL E 128 -14.232 36.982 -18.624 1.00 28.32 C -ATOM 5427 CG2 VAL E 128 -16.507 38.025 -18.987 1.00 29.32 C -ATOM 5428 N ALA E 129 -18.561 35.804 -19.740 1.00 33.39 N -ATOM 5429 CA ALA E 129 -19.770 36.024 -20.521 1.00 35.24 C -ATOM 5430 C ALA E 129 -20.913 36.452 -19.604 1.00 34.43 C -ATOM 5431 O ALA E 129 -21.135 35.824 -18.575 1.00 42.44 O -ATOM 5432 CB ALA E 129 -20.140 34.729 -21.252 1.00 38.61 C -ATOM 5433 N VAL E 130 -21.625 37.522 -19.953 1.00 31.64 N -ATOM 5434 CA VAL E 130 -22.749 37.994 -19.128 1.00 28.21 C -ATOM 5435 C VAL E 130 -24.045 37.425 -19.654 1.00 23.60 C -ATOM 5436 O VAL E 130 -24.172 37.161 -20.842 1.00 26.25 O -ATOM 5437 CB VAL E 130 -22.893 39.550 -19.090 1.00 33.22 C -ATOM 5438 CG1 VAL E 130 -21.591 40.202 -18.682 1.00 36.65 C -ATOM 5439 CG2 VAL E 130 -23.363 40.091 -20.423 1.00 35.91 C -ATOM 5440 N PHE E 131 -25.004 37.225 -18.765 1.00 21.27 N -ATOM 5441 CA PHE E 131 -26.298 36.689 -19.144 1.00 20.91 C -ATOM 5442 C PHE E 131 -27.299 37.755 -18.781 1.00 25.25 C -ATOM 5443 O PHE E 131 -27.316 38.231 -17.660 1.00 31.14 O -ATOM 5444 CB PHE E 131 -26.544 35.380 -18.409 1.00 14.38 C -ATOM 5445 CG PHE E 131 -25.483 34.345 -18.684 1.00 13.95 C -ATOM 5446 CD1 PHE E 131 -24.159 34.565 -18.317 1.00 11.35 C -ATOM 5447 CD2 PHE E 131 -25.795 33.165 -19.328 1.00 14.56 C -ATOM 5448 CE1 PHE E 131 -23.180 33.640 -18.579 1.00 6.70 C -ATOM 5449 CE2 PHE E 131 -24.811 32.236 -19.594 1.00 11.99 C -ATOM 5450 CZ PHE E 131 -23.503 32.479 -19.217 1.00 10.63 C -ATOM 5451 N GLU E 132 -28.096 38.178 -19.748 1.00 31.36 N -ATOM 5452 CA GLU E 132 -29.054 39.254 -19.513 1.00 35.55 C -ATOM 5453 C GLU E 132 -30.143 38.926 -18.519 1.00 32.70 C -ATOM 5454 O GLU E 132 -30.457 37.762 -18.291 1.00 39.40 O -ATOM 5455 CB GLU E 132 -29.733 39.660 -20.820 1.00 46.17 C -ATOM 5456 CG GLU E 132 -28.833 40.169 -21.919 1.00 54.73 C -ATOM 5457 CD GLU E 132 -29.613 40.451 -23.189 1.00 64.10 C -ATOM 5458 OE1 GLU E 132 -30.745 39.924 -23.347 1.00 67.27 O -ATOM 5459 OE2 GLU E 132 -29.092 41.213 -24.030 1.00 74.38 O -ATOM 5460 N PRO E 133 -30.767 39.962 -17.947 1.00 29.49 N -ATOM 5461 CA PRO E 133 -31.856 39.856 -16.972 1.00 33.03 C -ATOM 5462 C PRO E 133 -33.010 39.003 -17.501 1.00 39.33 C -ATOM 5463 O PRO E 133 -33.154 38.812 -18.712 1.00 44.30 O -ATOM 5464 CB PRO E 133 -32.312 41.302 -16.831 1.00 23.94 C -ATOM 5465 CG PRO E 133 -31.051 42.054 -16.974 1.00 22.97 C -ATOM 5466 CD PRO E 133 -30.311 41.359 -18.075 1.00 22.60 C -ATOM 5467 N SER E 134 -33.819 38.482 -16.587 1.00 45.90 N -ATOM 5468 CA SER E 134 -34.979 37.678 -16.957 1.00 47.59 C -ATOM 5469 C SER E 134 -36.124 38.625 -17.314 1.00 45.37 C -ATOM 5470 O SER E 134 -36.321 39.651 -16.655 1.00 45.54 O -ATOM 5471 CB SER E 134 -35.390 36.774 -15.783 1.00 47.48 C -ATOM 5472 OG SER E 134 -36.687 36.222 -15.966 1.00 54.34 O -ATOM 5473 N GLU E 135 -36.881 38.289 -18.350 1.00 44.06 N -ATOM 5474 CA GLU E 135 -38.007 39.126 -18.740 1.00 47.30 C -ATOM 5475 C GLU E 135 -39.034 38.998 -17.621 1.00 48.18 C -ATOM 5476 O GLU E 135 -39.742 39.953 -17.279 1.00 48.69 O -ATOM 5477 CB GLU E 135 -38.596 38.647 -20.059 1.00 48.18 C -ATOM 5478 N ALA E 136 -39.067 37.808 -17.026 1.00 44.93 N -ATOM 5479 CA ALA E 136 -39.979 37.505 -15.937 1.00 41.42 C -ATOM 5480 C ALA E 136 -39.599 38.336 -14.706 1.00 42.04 C -ATOM 5481 O ALA E 136 -40.452 38.988 -14.108 1.00 41.28 O -ATOM 5482 CB ALA E 136 -39.933 36.017 -15.625 1.00 37.95 C -ATOM 5483 N GLU E 137 -38.310 38.357 -14.375 1.00 38.86 N -ATOM 5484 CA GLU E 137 -37.820 39.104 -13.228 1.00 38.19 C -ATOM 5485 C GLU E 137 -38.181 40.575 -13.333 1.00 44.47 C -ATOM 5486 O GLU E 137 -38.752 41.147 -12.405 1.00 47.84 O -ATOM 5487 CB GLU E 137 -36.309 38.967 -13.113 1.00 38.25 C -ATOM 5488 CG GLU E 137 -35.709 39.681 -11.913 1.00 36.50 C -ATOM 5489 CD GLU E 137 -34.231 39.986 -12.082 1.00 42.12 C -ATOM 5490 OE1 GLU E 137 -33.573 39.465 -13.014 1.00 49.33 O -ATOM 5491 OE2 GLU E 137 -33.724 40.776 -11.279 1.00 44.95 O -ATOM 5492 N ILE E 138 -37.836 41.184 -14.465 1.00 48.32 N -ATOM 5493 CA ILE E 138 -38.121 42.595 -14.700 1.00 48.80 C -ATOM 5494 C ILE E 138 -39.609 42.858 -14.454 1.00 47.77 C -ATOM 5495 O ILE E 138 -39.991 43.749 -13.695 1.00 45.10 O -ATOM 5496 CB ILE E 138 -37.727 42.981 -16.140 1.00 47.34 C -ATOM 5497 N SER E 139 -40.442 42.028 -15.057 1.00 47.71 N -ATOM 5498 CA SER E 139 -41.874 42.159 -14.916 1.00 53.62 C -ATOM 5499 C SER E 139 -42.313 41.995 -13.467 1.00 55.08 C -ATOM 5500 O SER E 139 -42.934 42.882 -12.873 1.00 58.91 O -ATOM 5501 CB SER E 139 -42.553 41.097 -15.787 1.00 57.24 C -ATOM 5502 OG SER E 139 -43.937 41.004 -15.506 1.00 68.90 O -ATOM 5503 N HIS E 140 -41.914 40.866 -12.899 1.00 54.30 N -ATOM 5504 CA HIS E 140 -42.260 40.457 -11.545 1.00 50.32 C -ATOM 5505 C HIS E 140 -41.756 41.280 -10.364 1.00 48.48 C -ATOM 5506 O HIS E 140 -42.473 41.436 -9.371 1.00 52.35 O -ATOM 5507 CB HIS E 140 -41.851 38.988 -11.353 1.00 49.58 C -ATOM 5508 CG HIS E 140 -42.145 38.444 -9.989 1.00 51.88 C -ATOM 5509 ND1 HIS E 140 -43.428 38.262 -9.520 1.00 54.49 N -ATOM 5510 CD2 HIS E 140 -41.321 38.044 -8.996 1.00 55.64 C -ATOM 5511 CE1 HIS E 140 -43.381 37.776 -8.293 1.00 57.15 C -ATOM 5512 NE2 HIS E 140 -42.114 37.634 -7.949 1.00 56.42 N -ATOM 5513 N THR E 141 -40.531 41.779 -10.444 1.00 43.21 N -ATOM 5514 CA THR E 141 -39.964 42.513 -9.327 1.00 38.28 C -ATOM 5515 C THR E 141 -39.611 43.969 -9.593 1.00 39.28 C -ATOM 5516 O THR E 141 -39.419 44.735 -8.646 1.00 41.99 O -ATOM 5517 CB THR E 141 -38.697 41.803 -8.827 1.00 35.55 C -ATOM 5518 OG1 THR E 141 -37.717 41.817 -9.867 1.00 38.38 O -ATOM 5519 CG2 THR E 141 -38.995 40.351 -8.485 1.00 31.68 C -ATOM 5520 N GLN E 142 -39.484 44.337 -10.868 1.00 38.20 N -ATOM 5521 CA GLN E 142 -39.112 45.698 -11.285 1.00 38.06 C -ATOM 5522 C GLN E 142 -37.613 45.973 -11.148 1.00 35.67 C -ATOM 5523 O GLN E 142 -37.183 47.132 -11.186 1.00 35.59 O -ATOM 5524 CB GLN E 142 -39.918 46.791 -10.552 1.00 42.72 C -ATOM 5525 CG GLN E 142 -41.319 47.067 -11.129 1.00 52.90 C -ATOM 5526 CD GLN E 142 -42.402 46.172 -10.538 1.00 62.21 C -ATOM 5527 OE1 GLN E 142 -42.750 46.294 -9.357 1.00 65.80 O -ATOM 5528 NE2 GLN E 142 -42.959 45.285 -11.361 1.00 64.55 N -ATOM 5529 N LYS E 143 -36.829 44.906 -10.988 1.00 34.56 N -ATOM 5530 CA LYS E 143 -35.371 44.979 -10.868 1.00 31.17 C -ATOM 5531 C LYS E 143 -34.823 44.053 -11.952 1.00 33.21 C -ATOM 5532 O LYS E 143 -35.542 43.172 -12.438 1.00 37.17 O -ATOM 5533 CB LYS E 143 -34.906 44.514 -9.485 1.00 30.18 C -ATOM 5534 CG LYS E 143 -35.471 45.334 -8.352 1.00 30.71 C -ATOM 5535 CD LYS E 143 -35.045 44.831 -6.999 1.00 28.35 C -ATOM 5536 CE LYS E 143 -36.088 45.249 -5.974 1.00 30.80 C -ATOM 5537 NZ LYS E 143 -37.364 44.471 -6.184 1.00 41.37 N -ATOM 5538 N ALA E 144 -33.574 44.266 -12.358 1.00 33.23 N -ATOM 5539 CA ALA E 144 -32.952 43.465 -13.409 1.00 30.82 C -ATOM 5540 C ALA E 144 -31.602 42.978 -12.929 1.00 29.31 C -ATOM 5541 O ALA E 144 -30.757 43.777 -12.520 1.00 29.39 O -ATOM 5542 CB ALA E 144 -32.791 44.291 -14.680 1.00 28.59 C -ATOM 5543 N THR E 145 -31.407 41.666 -12.949 1.00 27.57 N -ATOM 5544 CA THR E 145 -30.146 41.108 -12.495 1.00 30.96 C -ATOM 5545 C THR E 145 -29.337 40.560 -13.648 1.00 31.61 C -ATOM 5546 O THR E 145 -29.778 39.635 -14.342 1.00 31.10 O -ATOM 5547 CB THR E 145 -30.341 39.944 -11.487 1.00 33.28 C -ATOM 5548 OG1 THR E 145 -31.323 40.286 -10.506 1.00 34.22 O -ATOM 5549 CG2 THR E 145 -29.044 39.646 -10.779 1.00 34.23 C -ATOM 5550 N LEU E 146 -28.176 41.163 -13.874 1.00 32.08 N -ATOM 5551 CA LEU E 146 -27.259 40.712 -14.915 1.00 28.77 C -ATOM 5552 C LEU E 146 -26.342 39.774 -14.162 1.00 26.49 C -ATOM 5553 O LEU E 146 -26.118 39.968 -12.976 1.00 31.33 O -ATOM 5554 CB LEU E 146 -26.430 41.881 -15.475 1.00 28.19 C -ATOM 5555 CG LEU E 146 -26.917 42.758 -16.643 1.00 27.80 C -ATOM 5556 CD1 LEU E 146 -28.170 43.502 -16.296 1.00 30.53 C -ATOM 5557 CD2 LEU E 146 -25.853 43.771 -16.987 1.00 27.03 C -ATOM 5558 N VAL E 147 -25.868 38.726 -14.817 1.00 27.28 N -ATOM 5559 CA VAL E 147 -24.959 37.787 -14.183 1.00 23.84 C -ATOM 5560 C VAL E 147 -23.742 37.538 -15.061 1.00 25.43 C -ATOM 5561 O VAL E 147 -23.863 37.253 -16.244 1.00 25.49 O -ATOM 5562 CB VAL E 147 -25.664 36.443 -13.786 1.00 27.54 C -ATOM 5563 CG1 VAL E 147 -26.662 36.045 -14.804 1.00 32.26 C -ATOM 5564 CG2 VAL E 147 -24.641 35.310 -13.600 1.00 26.57 C -ATOM 5565 N CYS E 148 -22.566 37.733 -14.484 1.00 26.81 N -ATOM 5566 CA CYS E 148 -21.324 37.523 -15.192 1.00 26.69 C -ATOM 5567 C CYS E 148 -20.860 36.110 -14.922 1.00 30.90 C -ATOM 5568 O CYS E 148 -21.043 35.607 -13.820 1.00 39.07 O -ATOM 5569 CB CYS E 148 -20.263 38.478 -14.684 1.00 23.83 C -ATOM 5570 SG CYS E 148 -18.740 38.270 -15.623 1.00 37.11 S -ATOM 5571 N LEU E 149 -20.212 35.482 -15.893 1.00 33.42 N -ATOM 5572 CA LEU E 149 -19.737 34.121 -15.701 1.00 32.82 C -ATOM 5573 C LEU E 149 -18.364 33.930 -16.324 1.00 35.73 C -ATOM 5574 O LEU E 149 -18.205 33.911 -17.553 1.00 38.04 O -ATOM 5575 CB LEU E 149 -20.736 33.118 -16.282 1.00 33.20 C -ATOM 5576 CG LEU E 149 -20.601 31.649 -15.875 1.00 29.52 C -ATOM 5577 CD1 LEU E 149 -20.541 31.546 -14.348 1.00 31.82 C -ATOM 5578 CD2 LEU E 149 -21.782 30.857 -16.435 1.00 25.92 C -ATOM 5579 N ALA E 150 -17.366 33.838 -15.454 1.00 34.21 N -ATOM 5580 CA ALA E 150 -15.987 33.639 -15.865 1.00 31.48 C -ATOM 5581 C ALA E 150 -15.726 32.161 -15.706 1.00 27.53 C -ATOM 5582 O ALA E 150 -15.992 31.617 -14.646 1.00 34.76 O -ATOM 5583 CB ALA E 150 -15.054 34.426 -14.962 1.00 25.34 C -ATOM 5584 N THR E 151 -15.244 31.497 -16.750 1.00 27.25 N -ATOM 5585 CA THR E 151 -14.964 30.069 -16.647 1.00 30.63 C -ATOM 5586 C THR E 151 -13.711 29.636 -17.384 1.00 25.98 C -ATOM 5587 O THR E 151 -13.107 30.421 -18.118 1.00 25.72 O -ATOM 5588 CB THR E 151 -16.137 29.194 -17.167 1.00 35.64 C -ATOM 5589 OG1 THR E 151 -16.256 29.337 -18.590 1.00 49.31 O -ATOM 5590 CG2 THR E 151 -17.439 29.587 -16.508 1.00 36.27 C -ATOM 5591 N GLY E 152 -13.275 28.416 -17.077 1.00 25.99 N -ATOM 5592 CA GLY E 152 -12.118 27.825 -17.725 1.00 24.30 C -ATOM 5593 C GLY E 152 -10.743 28.229 -17.255 1.00 26.73 C -ATOM 5594 O GLY E 152 -9.750 27.609 -17.652 1.00 27.77 O -ATOM 5595 N PHE E 153 -10.670 29.226 -16.385 1.00 25.50 N -ATOM 5596 CA PHE E 153 -9.378 29.673 -15.904 1.00 22.22 C -ATOM 5597 C PHE E 153 -8.667 28.793 -14.863 1.00 25.03 C -ATOM 5598 O PHE E 153 -9.277 28.088 -14.071 1.00 24.77 O -ATOM 5599 CB PHE E 153 -9.454 31.120 -15.401 1.00 24.57 C -ATOM 5600 CG PHE E 153 -10.326 31.316 -14.181 1.00 18.69 C -ATOM 5601 CD1 PHE E 153 -11.692 31.481 -14.313 1.00 17.40 C -ATOM 5602 CD2 PHE E 153 -9.773 31.375 -12.917 1.00 16.74 C -ATOM 5603 CE1 PHE E 153 -12.499 31.702 -13.214 1.00 19.16 C -ATOM 5604 CE2 PHE E 153 -10.574 31.596 -11.816 1.00 22.77 C -ATOM 5605 CZ PHE E 153 -11.942 31.759 -11.970 1.00 26.07 C -ATOM 5606 N TYR E 154 -7.349 28.830 -14.921 1.00 26.69 N -ATOM 5607 CA TYR E 154 -6.475 28.136 -14.010 1.00 28.69 C -ATOM 5608 C TYR E 154 -5.156 28.906 -14.154 1.00 32.54 C -ATOM 5609 O TYR E 154 -4.676 29.114 -15.263 1.00 35.00 O -ATOM 5610 CB TYR E 154 -6.296 26.665 -14.392 1.00 32.87 C -ATOM 5611 CG TYR E 154 -5.250 26.027 -13.519 1.00 40.98 C -ATOM 5612 CD1 TYR E 154 -5.576 25.501 -12.272 1.00 45.04 C -ATOM 5613 CD2 TYR E 154 -3.909 26.091 -13.869 1.00 45.63 C -ATOM 5614 CE1 TYR E 154 -4.589 25.063 -11.394 1.00 50.99 C -ATOM 5615 CE2 TYR E 154 -2.912 25.662 -12.999 1.00 52.68 C -ATOM 5616 CZ TYR E 154 -3.254 25.154 -11.762 1.00 52.49 C -ATOM 5617 OH TYR E 154 -2.256 24.771 -10.894 1.00 53.27 O -ATOM 5618 N PRO E 155 -4.541 29.359 -13.035 1.00 34.50 N -ATOM 5619 CA PRO E 155 -4.916 29.285 -11.613 1.00 30.53 C -ATOM 5620 C PRO E 155 -6.084 30.200 -11.260 1.00 29.16 C -ATOM 5621 O PRO E 155 -6.407 31.113 -12.011 1.00 31.71 O -ATOM 5622 CB PRO E 155 -3.631 29.734 -10.930 1.00 26.85 C -ATOM 5623 CG PRO E 155 -3.124 30.765 -11.875 1.00 28.08 C -ATOM 5624 CD PRO E 155 -3.276 30.082 -13.200 1.00 31.39 C -ATOM 5625 N ASP E 156 -6.705 29.971 -10.108 1.00 25.63 N -ATOM 5626 CA ASP E 156 -7.846 30.776 -9.676 1.00 25.61 C -ATOM 5627 C ASP E 156 -7.562 32.256 -9.327 1.00 25.96 C -ATOM 5628 O ASP E 156 -8.396 32.912 -8.699 1.00 32.69 O -ATOM 5629 CB ASP E 156 -8.561 30.094 -8.499 1.00 29.14 C -ATOM 5630 CG ASP E 156 -7.689 29.983 -7.246 1.00 35.32 C -ATOM 5631 OD1 ASP E 156 -6.444 29.843 -7.356 1.00 36.00 O -ATOM 5632 OD2 ASP E 156 -8.263 30.020 -6.137 1.00 37.89 O -ATOM 5633 N HIS E 157 -6.414 32.787 -9.746 1.00 17.37 N -ATOM 5634 CA HIS E 157 -6.051 34.178 -9.470 1.00 14.45 C -ATOM 5635 C HIS E 157 -6.869 35.162 -10.320 1.00 19.05 C -ATOM 5636 O HIS E 157 -6.443 35.542 -11.416 1.00 16.46 O -ATOM 5637 CB HIS E 157 -4.569 34.424 -9.783 1.00 17.30 C -ATOM 5638 CG HIS E 157 -3.617 33.511 -9.071 1.00 19.44 C -ATOM 5639 ND1 HIS E 157 -4.027 32.521 -8.202 1.00 22.15 N -ATOM 5640 CD2 HIS E 157 -2.261 33.437 -9.110 1.00 23.58 C -ATOM 5641 CE1 HIS E 157 -2.970 31.878 -7.736 1.00 22.77 C -ATOM 5642 NE2 HIS E 157 -1.887 32.415 -8.273 1.00 24.51 N -ATOM 5643 N VAL E 158 -8.036 35.574 -9.843 1.00 22.07 N -ATOM 5644 CA VAL E 158 -8.837 36.520 -10.616 1.00 25.72 C -ATOM 5645 C VAL E 158 -9.540 37.600 -9.815 1.00 28.40 C -ATOM 5646 O VAL E 158 -9.923 37.397 -8.663 1.00 30.82 O -ATOM 5647 CB VAL E 158 -9.931 35.830 -11.484 1.00 21.13 C -ATOM 5648 CG1 VAL E 158 -9.302 34.867 -12.503 1.00 15.84 C -ATOM 5649 CG2 VAL E 158 -10.981 35.179 -10.592 1.00 11.93 C -ATOM 5650 N GLU E 159 -9.781 38.716 -10.500 1.00 32.46 N -ATOM 5651 CA GLU E 159 -10.460 39.894 -9.967 1.00 27.84 C -ATOM 5652 C GLU E 159 -11.554 40.336 -10.954 1.00 22.63 C -ATOM 5653 O GLU E 159 -11.272 40.862 -12.028 1.00 26.91 O -ATOM 5654 CB GLU E 159 -9.452 41.041 -9.758 1.00 28.10 C -ATOM 5655 CG GLU E 159 -8.483 40.832 -8.610 1.00 32.98 C -ATOM 5656 CD GLU E 159 -7.334 41.826 -8.593 1.00 36.00 C -ATOM 5657 OE1 GLU E 159 -7.407 42.855 -9.287 1.00 38.25 O -ATOM 5658 OE2 GLU E 159 -6.343 41.572 -7.882 1.00 41.07 O -ATOM 5659 N LEU E 160 -12.800 40.084 -10.598 1.00 17.49 N -ATOM 5660 CA LEU E 160 -13.933 40.452 -11.427 1.00 25.49 C -ATOM 5661 C LEU E 160 -14.608 41.744 -10.925 1.00 28.88 C -ATOM 5662 O LEU E 160 -14.986 41.848 -9.749 1.00 30.27 O -ATOM 5663 CB LEU E 160 -14.932 39.283 -11.455 1.00 27.78 C -ATOM 5664 CG LEU E 160 -16.325 39.400 -12.083 1.00 24.65 C -ATOM 5665 CD1 LEU E 160 -16.889 38.022 -12.352 1.00 30.43 C -ATOM 5666 CD2 LEU E 160 -17.236 40.141 -11.170 1.00 29.65 C -ATOM 5667 N SER E 161 -14.781 42.713 -11.827 1.00 31.98 N -ATOM 5668 CA SER E 161 -15.419 43.989 -11.507 1.00 24.24 C -ATOM 5669 C SER E 161 -16.482 44.359 -12.534 1.00 31.95 C -ATOM 5670 O SER E 161 -16.406 43.961 -13.697 1.00 32.56 O -ATOM 5671 CB SER E 161 -14.381 45.110 -11.431 1.00 18.91 C -ATOM 5672 OG SER E 161 -13.550 45.164 -12.579 1.00 20.43 O -ATOM 5673 N TRP E 162 -17.492 45.096 -12.090 1.00 33.31 N -ATOM 5674 CA TRP E 162 -18.561 45.526 -12.972 1.00 30.09 C -ATOM 5675 C TRP E 162 -18.422 47.008 -13.303 1.00 33.54 C -ATOM 5676 O TRP E 162 -18.139 47.832 -12.429 1.00 33.81 O -ATOM 5677 CB TRP E 162 -19.916 45.272 -12.331 1.00 31.30 C -ATOM 5678 CG TRP E 162 -20.320 43.835 -12.313 1.00 28.67 C -ATOM 5679 CD1 TRP E 162 -20.075 42.929 -11.331 1.00 23.65 C -ATOM 5680 CD2 TRP E 162 -21.114 43.153 -13.307 1.00 29.58 C -ATOM 5681 NE1 TRP E 162 -20.672 41.728 -11.628 1.00 29.62 N -ATOM 5682 CE2 TRP E 162 -21.315 41.839 -12.838 1.00 28.77 C -ATOM 5683 CE3 TRP E 162 -21.670 43.528 -14.537 1.00 26.43 C -ATOM 5684 CZ2 TRP E 162 -22.055 40.894 -13.556 1.00 21.31 C -ATOM 5685 CZ3 TRP E 162 -22.408 42.589 -15.255 1.00 18.37 C -ATOM 5686 CH2 TRP E 162 -22.592 41.288 -14.759 1.00 23.38 C -ATOM 5687 N TRP E 163 -18.658 47.342 -14.569 1.00 35.78 N -ATOM 5688 CA TRP E 163 -18.552 48.713 -15.062 1.00 34.03 C -ATOM 5689 C TRP E 163 -19.758 49.128 -15.912 1.00 36.13 C -ATOM 5690 O TRP E 163 -20.065 48.481 -16.915 1.00 40.57 O -ATOM 5691 CB TRP E 163 -17.303 48.843 -15.927 1.00 29.00 C -ATOM 5692 CG TRP E 163 -16.008 48.478 -15.271 1.00 25.34 C -ATOM 5693 CD1 TRP E 163 -15.598 47.227 -14.865 1.00 19.97 C -ATOM 5694 CD2 TRP E 163 -14.894 49.344 -15.076 1.00 19.20 C -ATOM 5695 NE1 TRP E 163 -14.288 47.277 -14.452 1.00 18.80 N -ATOM 5696 CE2 TRP E 163 -13.830 48.560 -14.576 1.00 18.64 C -ATOM 5697 CE3 TRP E 163 -14.683 50.712 -15.297 1.00 15.54 C -ATOM 5698 CZ2 TRP E 163 -12.575 49.102 -14.302 1.00 25.44 C -ATOM 5699 CZ3 TRP E 163 -13.440 51.246 -15.024 1.00 15.62 C -ATOM 5700 CH2 TRP E 163 -12.398 50.443 -14.533 1.00 22.71 C -ATOM 5701 N VAL E 164 -20.404 50.232 -15.551 1.00 34.51 N -ATOM 5702 CA VAL E 164 -21.557 50.718 -16.308 1.00 35.57 C -ATOM 5703 C VAL E 164 -21.191 52.070 -16.886 1.00 36.47 C -ATOM 5704 O VAL E 164 -20.689 52.937 -16.169 1.00 40.91 O -ATOM 5705 CB VAL E 164 -22.816 50.868 -15.425 1.00 38.67 C -ATOM 5706 CG1 VAL E 164 -23.924 51.587 -16.187 1.00 35.13 C -ATOM 5707 CG2 VAL E 164 -23.304 49.499 -14.977 1.00 36.78 C -ATOM 5708 N ASN E 165 -21.422 52.242 -18.183 1.00 33.85 N -ATOM 5709 CA ASN E 165 -21.101 53.488 -18.865 1.00 29.08 C -ATOM 5710 C ASN E 165 -19.630 53.855 -18.647 1.00 30.67 C -ATOM 5711 O ASN E 165 -19.275 55.011 -18.419 1.00 32.40 O -ATOM 5712 CB ASN E 165 -22.055 54.622 -18.443 1.00 35.40 C -ATOM 5713 CG ASN E 165 -23.497 54.391 -18.918 1.00 39.55 C -ATOM 5714 OD1 ASN E 165 -23.752 53.498 -19.728 1.00 40.58 O -ATOM 5715 ND2 ASN E 165 -24.443 55.164 -18.384 1.00 34.70 N -ATOM 5716 N GLY E 166 -18.782 52.832 -18.701 1.00 30.86 N -ATOM 5717 CA GLY E 166 -17.352 53.013 -18.550 1.00 34.37 C -ATOM 5718 C GLY E 166 -16.835 53.276 -17.154 1.00 38.45 C -ATOM 5719 O GLY E 166 -15.637 53.200 -16.926 1.00 46.52 O -ATOM 5720 N LYS E 167 -17.718 53.537 -16.203 1.00 42.62 N -ATOM 5721 CA LYS E 167 -17.277 53.821 -14.844 1.00 42.86 C -ATOM 5722 C LYS E 167 -17.574 52.628 -13.948 1.00 40.91 C -ATOM 5723 O LYS E 167 -18.640 52.018 -14.051 1.00 39.58 O -ATOM 5724 CB LYS E 167 -17.978 55.079 -14.324 1.00 49.22 C -ATOM 5725 CG LYS E 167 -17.652 56.348 -15.108 1.00 58.00 C -ATOM 5726 CD LYS E 167 -18.901 57.191 -15.306 1.00 69.73 C -ATOM 5727 CE LYS E 167 -18.651 58.419 -16.178 1.00 72.22 C -ATOM 5728 NZ LYS E 167 -19.956 59.012 -16.618 1.00 74.32 N -ATOM 5729 N GLU E 168 -16.629 52.261 -13.093 1.00 39.53 N -ATOM 5730 CA GLU E 168 -16.872 51.128 -12.221 1.00 44.57 C -ATOM 5731 C GLU E 168 -18.071 51.337 -11.288 1.00 50.20 C -ATOM 5732 O GLU E 168 -18.430 52.473 -10.932 1.00 50.23 O -ATOM 5733 CB GLU E 168 -15.630 50.739 -11.427 1.00 40.63 C -ATOM 5734 CG GLU E 168 -15.772 49.355 -10.823 1.00 35.02 C -ATOM 5735 CD GLU E 168 -14.536 48.870 -10.100 1.00 46.22 C -ATOM 5736 OE1 GLU E 168 -13.471 49.540 -10.160 1.00 43.89 O -ATOM 5737 OE2 GLU E 168 -14.644 47.795 -9.466 1.00 49.27 O -ATOM 5738 N VAL E 169 -18.702 50.217 -10.936 1.00 51.90 N -ATOM 5739 CA VAL E 169 -19.873 50.179 -10.071 1.00 50.12 C -ATOM 5740 C VAL E 169 -19.616 49.194 -8.927 1.00 52.36 C -ATOM 5741 O VAL E 169 -18.902 48.195 -9.091 1.00 54.75 O -ATOM 5742 CB VAL E 169 -21.112 49.730 -10.881 1.00 48.39 C -ATOM 5743 CG1 VAL E 169 -22.281 49.431 -9.973 1.00 56.17 C -ATOM 5744 CG2 VAL E 169 -21.496 50.813 -11.864 1.00 53.38 C -ATOM 5745 N HIS E 170 -20.156 49.514 -7.755 1.00 52.31 N -ATOM 5746 CA HIS E 170 -20.008 48.669 -6.577 1.00 50.18 C -ATOM 5747 C HIS E 170 -21.348 48.276 -5.988 1.00 47.91 C -ATOM 5748 O HIS E 170 -21.489 47.181 -5.441 1.00 52.26 O -ATOM 5749 CB HIS E 170 -19.163 49.367 -5.517 1.00 51.72 C -ATOM 5750 CG HIS E 170 -17.713 49.410 -5.857 1.00 54.66 C -ATOM 5751 ND1 HIS E 170 -16.907 48.293 -5.792 1.00 54.23 N -ATOM 5752 CD2 HIS E 170 -16.934 50.414 -6.325 1.00 53.44 C -ATOM 5753 CE1 HIS E 170 -15.693 48.606 -6.210 1.00 57.28 C -ATOM 5754 NE2 HIS E 170 -15.682 49.886 -6.540 1.00 56.93 N -ATOM 5755 N SER E 171 -22.319 49.180 -6.087 1.00 43.63 N -ATOM 5756 CA SER E 171 -23.659 48.946 -5.567 1.00 42.14 C -ATOM 5757 C SER E 171 -24.335 47.875 -6.420 1.00 39.89 C -ATOM 5758 O SER E 171 -23.980 47.666 -7.587 1.00 39.29 O -ATOM 5759 CB SER E 171 -24.472 50.257 -5.606 1.00 47.78 C -ATOM 5760 OG SER E 171 -25.739 50.159 -4.959 1.00 51.13 O -ATOM 5761 N GLY E 172 -25.269 47.155 -5.815 1.00 35.76 N -ATOM 5762 CA GLY E 172 -25.987 46.135 -6.550 1.00 28.50 C -ATOM 5763 C GLY E 172 -25.184 44.929 -6.971 1.00 29.97 C -ATOM 5764 O GLY E 172 -25.767 43.941 -7.430 1.00 25.22 O -ATOM 5765 N VAL E 173 -23.861 44.987 -6.836 1.00 29.35 N -ATOM 5766 CA VAL E 173 -23.064 43.837 -7.218 1.00 32.45 C -ATOM 5767 C VAL E 173 -22.802 42.918 -6.047 1.00 34.32 C -ATOM 5768 O VAL E 173 -22.747 43.351 -4.887 1.00 33.57 O -ATOM 5769 CB VAL E 173 -21.736 44.181 -8.001 1.00 34.45 C -ATOM 5770 CG1 VAL E 173 -21.560 45.664 -8.192 1.00 35.15 C -ATOM 5771 CG2 VAL E 173 -20.520 43.558 -7.343 1.00 36.21 C -ATOM 5772 N SER E 174 -22.691 41.637 -6.391 1.00 35.30 N -ATOM 5773 CA SER E 174 -22.448 40.531 -5.475 1.00 34.55 C -ATOM 5774 C SER E 174 -21.583 39.544 -6.243 1.00 34.23 C -ATOM 5775 O SER E 174 -21.982 39.069 -7.295 1.00 36.07 O -ATOM 5776 CB SER E 174 -23.764 39.845 -5.123 1.00 32.86 C -ATOM 5777 OG SER E 174 -23.533 38.569 -4.557 1.00 36.14 O -ATOM 5778 N THR E 175 -20.446 39.167 -5.682 1.00 32.63 N -ATOM 5779 CA THR E 175 -19.554 38.255 -6.361 1.00 35.19 C -ATOM 5780 C THR E 175 -18.986 37.189 -5.428 1.00 36.42 C -ATOM 5781 O THR E 175 -18.503 37.502 -4.332 1.00 42.61 O -ATOM 5782 CB THR E 175 -18.425 39.066 -7.050 1.00 37.24 C -ATOM 5783 OG1 THR E 175 -17.369 38.198 -7.452 1.00 44.82 O -ATOM 5784 CG2 THR E 175 -17.877 40.126 -6.122 1.00 45.25 C -ATOM 5785 N ASP E 176 -19.060 35.930 -5.858 1.00 34.33 N -ATOM 5786 CA ASP E 176 -18.542 34.804 -5.079 1.00 36.93 C -ATOM 5787 C ASP E 176 -17.215 35.090 -4.403 1.00 41.23 C -ATOM 5788 O ASP E 176 -16.256 35.510 -5.047 1.00 45.16 O -ATOM 5789 CB ASP E 176 -18.342 33.597 -5.966 1.00 33.97 C -ATOM 5790 CG ASP E 176 -19.601 33.142 -6.592 1.00 37.17 C -ATOM 5791 OD1 ASP E 176 -20.676 33.441 -6.036 1.00 43.61 O -ATOM 5792 OD2 ASP E 176 -19.513 32.489 -7.647 1.00 40.93 O -ATOM 5793 N PRO E 177 -17.117 34.759 -3.110 1.00 43.39 N -ATOM 5794 CA PRO E 177 -15.906 34.974 -2.314 1.00 42.15 C -ATOM 5795 C PRO E 177 -14.738 34.139 -2.804 1.00 39.65 C -ATOM 5796 O PRO E 177 -13.581 34.533 -2.648 1.00 40.85 O -ATOM 5797 CB PRO E 177 -16.337 34.533 -0.916 1.00 44.05 C -ATOM 5798 CG PRO E 177 -17.825 34.723 -0.932 1.00 49.30 C -ATOM 5799 CD PRO E 177 -18.177 34.175 -2.286 1.00 46.82 C -ATOM 5800 N GLN E 178 -15.043 32.988 -3.397 1.00 34.72 N -ATOM 5801 CA GLN E 178 -14.005 32.099 -3.888 1.00 35.02 C -ATOM 5802 C GLN E 178 -14.490 31.332 -5.114 1.00 34.44 C -ATOM 5803 O GLN E 178 -15.648 30.936 -5.176 1.00 37.26 O -ATOM 5804 CB GLN E 178 -13.577 31.137 -2.772 1.00 38.19 C -ATOM 5805 N PRO E 179 -13.632 31.169 -6.132 1.00 35.86 N -ATOM 5806 CA PRO E 179 -13.995 30.450 -7.356 1.00 35.89 C -ATOM 5807 C PRO E 179 -14.213 28.952 -7.112 1.00 35.91 C -ATOM 5808 O PRO E 179 -13.543 28.342 -6.278 1.00 39.78 O -ATOM 5809 CB PRO E 179 -12.777 30.673 -8.268 1.00 36.07 C -ATOM 5810 CG PRO E 179 -12.146 31.935 -7.743 1.00 35.30 C -ATOM 5811 CD PRO E 179 -12.268 31.731 -6.256 1.00 38.16 C -ATOM 5812 N LEU E 180 -15.105 28.354 -7.882 1.00 35.16 N -ATOM 5813 CA LEU E 180 -15.381 26.933 -7.751 1.00 37.18 C -ATOM 5814 C LEU E 180 -14.641 26.093 -8.797 1.00 42.95 C -ATOM 5815 O LEU E 180 -14.603 26.443 -9.981 1.00 44.66 O -ATOM 5816 CB LEU E 180 -16.886 26.673 -7.843 1.00 41.74 C -ATOM 5817 CG LEU E 180 -17.678 27.339 -8.969 1.00 43.89 C -ATOM 5818 CD1 LEU E 180 -18.480 26.318 -9.744 1.00 46.05 C -ATOM 5819 CD2 LEU E 180 -18.589 28.395 -8.375 1.00 49.30 C -ATOM 5820 N LYS E 181 -14.021 25.002 -8.350 1.00 48.78 N -ATOM 5821 CA LYS E 181 -13.298 24.101 -9.255 1.00 49.94 C -ATOM 5822 C LYS E 181 -14.354 23.435 -10.134 1.00 51.63 C -ATOM 5823 O LYS E 181 -15.370 22.961 -9.619 1.00 54.48 O -ATOM 5824 CB LYS E 181 -12.514 23.046 -8.451 1.00 45.45 C -ATOM 5825 N GLU E 182 -14.130 23.395 -11.444 1.00 50.77 N -ATOM 5826 CA GLU E 182 -15.115 22.799 -12.339 1.00 53.46 C -ATOM 5827 C GLU E 182 -14.862 21.353 -12.777 1.00 52.35 C -ATOM 5828 O GLU E 182 -15.528 20.838 -13.671 1.00 51.14 O -ATOM 5829 CB GLU E 182 -15.390 23.715 -13.542 1.00 57.39 C -ATOM 5830 CG GLU E 182 -14.158 24.139 -14.312 1.00 59.98 C -ATOM 5831 CD GLU E 182 -14.449 25.056 -15.496 1.00 59.09 C -ATOM 5832 OE1 GLU E 182 -15.122 26.104 -15.331 1.00 55.68 O -ATOM 5833 OE2 GLU E 182 -13.963 24.730 -16.598 1.00 55.60 O -ATOM 5834 N GLN E 183 -13.900 20.701 -12.141 1.00 52.64 N -ATOM 5835 CA GLN E 183 -13.562 19.309 -12.413 1.00 53.65 C -ATOM 5836 C GLN E 183 -12.830 18.890 -11.142 1.00 55.92 C -ATOM 5837 O GLN E 183 -11.618 18.737 -11.148 1.00 58.86 O -ATOM 5838 CB GLN E 183 -12.630 19.213 -13.623 1.00 60.24 C -ATOM 5839 CG GLN E 183 -13.270 19.544 -14.987 1.00 70.83 C -ATOM 5840 CD GLN E 183 -14.247 18.473 -15.461 1.00 76.49 C -ATOM 5841 OE1 GLN E 183 -14.011 17.283 -15.270 1.00 81.95 O -ATOM 5842 NE2 GLN E 183 -15.347 18.891 -16.076 1.00 77.50 N -ATOM 5843 N PRO E 184 -13.570 18.714 -10.026 1.00 58.00 N -ATOM 5844 CA PRO E 184 -13.092 18.330 -8.686 1.00 58.74 C -ATOM 5845 C PRO E 184 -12.156 17.129 -8.565 1.00 61.20 C -ATOM 5846 O PRO E 184 -11.374 17.041 -7.622 1.00 61.02 O -ATOM 5847 CB PRO E 184 -14.390 18.094 -7.913 1.00 57.92 C -ATOM 5848 CG PRO E 184 -15.350 19.010 -8.580 1.00 59.13 C -ATOM 5849 CD PRO E 184 -15.042 18.772 -10.035 1.00 59.78 C -ATOM 5850 N ALA E 185 -12.260 16.186 -9.490 1.00 62.89 N -ATOM 5851 CA ALA E 185 -11.402 15.008 -9.459 1.00 63.45 C -ATOM 5852 C ALA E 185 -9.984 15.307 -9.965 1.00 63.48 C -ATOM 5853 O ALA E 185 -9.040 14.560 -9.699 1.00 63.27 O -ATOM 5854 CB ALA E 185 -12.031 13.909 -10.296 1.00 66.02 C -ATOM 5855 N LEU E 186 -9.829 16.430 -10.652 1.00 62.90 N -ATOM 5856 CA LEU E 186 -8.550 16.775 -11.233 1.00 64.60 C -ATOM 5857 C LEU E 186 -7.711 17.735 -10.444 1.00 65.29 C -ATOM 5858 O LEU E 186 -8.196 18.719 -9.893 1.00 62.16 O -ATOM 5859 CB LEU E 186 -8.756 17.314 -12.640 1.00 69.15 C -ATOM 5860 CG LEU E 186 -9.684 16.411 -13.453 1.00 76.10 C -ATOM 5861 CD1 LEU E 186 -9.944 17.038 -14.806 1.00 81.95 C -ATOM 5862 CD2 LEU E 186 -9.092 15.007 -13.592 1.00 79.47 C -ATOM 5863 N ASN E 187 -6.422 17.446 -10.445 1.00 70.87 N -ATOM 5864 CA ASN E 187 -5.431 18.251 -9.756 1.00 76.99 C -ATOM 5865 C ASN E 187 -5.375 19.604 -10.445 1.00 74.14 C -ATOM 5866 O ASN E 187 -5.589 20.644 -9.819 1.00 73.88 O -ATOM 5867 CB ASN E 187 -4.065 17.572 -9.859 1.00 87.27 C -ATOM 5868 CG ASN E 187 -4.136 16.087 -9.581 1.00 95.12 C -ATOM 5869 OD1 ASN E 187 -4.210 15.273 -10.506 1.00 99.74 O -ATOM 5870 ND2 ASN E 187 -4.154 15.726 -8.304 1.00100.00 N -ATOM 5871 N ASP E 188 -5.061 19.572 -11.737 1.00 70.33 N -ATOM 5872 CA ASP E 188 -4.983 20.779 -12.546 1.00 67.35 C -ATOM 5873 C ASP E 188 -6.411 21.018 -13.007 1.00 63.26 C -ATOM 5874 O ASP E 188 -6.801 20.590 -14.092 1.00 71.12 O -ATOM 5875 CB ASP E 188 -4.063 20.549 -13.742 1.00 73.02 C -ATOM 5876 N SER E 189 -7.201 21.657 -12.158 1.00 55.16 N -ATOM 5877 CA SER E 189 -8.595 21.909 -12.474 1.00 43.45 C -ATOM 5878 C SER E 189 -8.792 23.342 -12.871 1.00 39.88 C -ATOM 5879 O SER E 189 -8.040 24.214 -12.479 1.00 41.75 O -ATOM 5880 CB SER E 189 -9.494 21.587 -11.280 1.00 41.05 C -ATOM 5881 OG SER E 189 -10.872 21.735 -11.597 1.00 37.47 O -ATOM 5882 N ARG E 190 -9.840 23.568 -13.644 1.00 42.12 N -ATOM 5883 CA ARG E 190 -10.192 24.893 -14.111 1.00 40.34 C -ATOM 5884 C ARG E 190 -11.206 25.435 -13.101 1.00 38.51 C -ATOM 5885 O ARG E 190 -11.945 24.670 -12.469 1.00 40.37 O -ATOM 5886 CB ARG E 190 -10.796 24.822 -15.530 1.00 44.44 C -ATOM 5887 N TYR E 191 -11.257 26.753 -12.980 1.00 32.83 N -ATOM 5888 CA TYR E 191 -12.140 27.409 -12.046 1.00 28.54 C -ATOM 5889 C TYR E 191 -13.195 28.199 -12.777 1.00 30.92 C -ATOM 5890 O TYR E 191 -13.076 28.469 -13.974 1.00 30.70 O -ATOM 5891 CB TYR E 191 -11.326 28.327 -11.142 1.00 24.83 C -ATOM 5892 CG TYR E 191 -10.408 27.571 -10.223 1.00 24.85 C -ATOM 5893 CD1 TYR E 191 -10.859 27.129 -8.979 1.00 26.83 C -ATOM 5894 CD2 TYR E 191 -9.112 27.233 -10.616 1.00 21.89 C -ATOM 5895 CE1 TYR E 191 -10.049 26.363 -8.151 1.00 28.97 C -ATOM 5896 CE2 TYR E 191 -8.293 26.465 -9.799 1.00 25.07 C -ATOM 5897 CZ TYR E 191 -8.773 26.034 -8.562 1.00 29.25 C -ATOM 5898 OH TYR E 191 -7.979 25.292 -7.723 1.00 35.74 O -ATOM 5899 N ALA E 192 -14.245 28.538 -12.047 1.00 33.73 N -ATOM 5900 CA ALA E 192 -15.358 29.306 -12.573 1.00 37.45 C -ATOM 5901 C ALA E 192 -15.744 30.315 -11.507 1.00 38.25 C -ATOM 5902 O ALA E 192 -15.584 30.061 -10.317 1.00 42.58 O -ATOM 5903 CB ALA E 192 -16.530 28.384 -12.878 1.00 38.21 C -ATOM 5904 N LEU E 193 -16.276 31.450 -11.924 1.00 37.50 N -ATOM 5905 CA LEU E 193 -16.670 32.485 -10.984 1.00 35.58 C -ATOM 5906 C LEU E 193 -17.875 33.190 -11.554 1.00 37.31 C -ATOM 5907 O LEU E 193 -17.945 33.425 -12.757 1.00 44.49 O -ATOM 5908 CB LEU E 193 -15.548 33.504 -10.804 1.00 34.35 C -ATOM 5909 CG LEU E 193 -15.787 34.613 -9.769 1.00 31.52 C -ATOM 5910 CD1 LEU E 193 -15.653 34.054 -8.371 1.00 33.61 C -ATOM 5911 CD2 LEU E 193 -14.765 35.708 -9.957 1.00 34.41 C -ATOM 5912 N SER E 194 -18.828 33.514 -10.696 1.00 33.61 N -ATOM 5913 CA SER E 194 -20.016 34.213 -11.131 1.00 32.14 C -ATOM 5914 C SER E 194 -20.193 35.434 -10.256 1.00 28.92 C -ATOM 5915 O SER E 194 -19.608 35.527 -9.180 1.00 32.08 O -ATOM 5916 CB SER E 194 -21.253 33.312 -11.084 1.00 34.96 C -ATOM 5917 OG SER E 194 -21.406 32.710 -9.820 1.00 44.02 O -ATOM 5918 N SER E 195 -20.977 36.385 -10.739 1.00 26.26 N -ATOM 5919 CA SER E 195 -21.207 37.610 -10.016 1.00 21.80 C -ATOM 5920 C SER E 195 -22.517 38.182 -10.490 1.00 20.02 C -ATOM 5921 O SER E 195 -22.957 37.901 -11.594 1.00 22.95 O -ATOM 5922 CB SER E 195 -20.075 38.587 -10.296 1.00 26.65 C -ATOM 5923 OG SER E 195 -20.195 39.754 -9.505 1.00 41.43 O -ATOM 5924 N ARG E 196 -23.125 39.011 -9.665 1.00 18.97 N -ATOM 5925 CA ARG E 196 -24.388 39.596 -10.000 1.00 20.14 C -ATOM 5926 C ARG E 196 -24.316 41.096 -9.912 1.00 25.33 C -ATOM 5927 O ARG E 196 -23.500 41.638 -9.177 1.00 26.17 O -ATOM 5928 CB ARG E 196 -25.469 39.085 -9.048 1.00 18.43 C -ATOM 5929 CG ARG E 196 -26.215 37.870 -9.569 1.00 20.40 C -ATOM 5930 CD ARG E 196 -26.004 36.644 -8.695 1.00 26.04 C -ATOM 5931 NE ARG E 196 -24.651 36.112 -8.794 1.00 24.07 N -ATOM 5932 CZ ARG E 196 -24.003 35.548 -7.783 1.00 30.34 C -ATOM 5933 NH1 ARG E 196 -24.583 35.430 -6.589 1.00 32.87 N -ATOM 5934 NH2 ARG E 196 -22.747 35.162 -7.945 1.00 36.68 N -ATOM 5935 N LEU E 197 -25.129 41.752 -10.735 1.00 26.70 N -ATOM 5936 CA LEU E 197 -25.258 43.200 -10.746 1.00 24.10 C -ATOM 5937 C LEU E 197 -26.750 43.434 -10.910 1.00 22.93 C -ATOM 5938 O LEU E 197 -27.346 43.017 -11.902 1.00 24.58 O -ATOM 5939 CB LEU E 197 -24.488 43.836 -11.893 1.00 22.46 C -ATOM 5940 CG LEU E 197 -24.678 45.354 -11.961 1.00 27.21 C -ATOM 5941 CD1 LEU E 197 -24.256 46.007 -10.655 1.00 26.15 C -ATOM 5942 CD2 LEU E 197 -23.880 45.931 -13.123 1.00 30.24 C -ATOM 5943 N ARG E 198 -27.369 43.976 -9.872 1.00 25.52 N -ATOM 5944 CA ARG E 198 -28.798 44.239 -9.899 1.00 28.44 C -ATOM 5945 C ARG E 198 -29.015 45.732 -10.046 1.00 30.53 C -ATOM 5946 O ARG E 198 -28.384 46.544 -9.367 1.00 28.74 O -ATOM 5947 CB ARG E 198 -29.467 43.741 -8.616 1.00 29.37 C -ATOM 5948 CG ARG E 198 -30.998 43.762 -8.628 1.00 28.61 C -ATOM 5949 CD ARG E 198 -31.602 42.348 -8.662 1.00 32.86 C -ATOM 5950 NE ARG E 198 -32.472 42.065 -7.508 1.00 39.44 N -ATOM 5951 CZ ARG E 198 -33.571 41.310 -7.536 1.00 35.07 C -ATOM 5952 NH1 ARG E 198 -33.988 40.730 -8.649 1.00 38.71 N -ATOM 5953 NH2 ARG E 198 -34.287 41.169 -6.448 1.00 41.58 N -ATOM 5954 N VAL E 199 -29.898 46.087 -10.963 1.00 29.04 N -ATOM 5955 CA VAL E 199 -30.224 47.476 -11.216 1.00 27.71 C -ATOM 5956 C VAL E 199 -31.736 47.482 -11.316 1.00 31.55 C -ATOM 5957 O VAL E 199 -32.363 46.424 -11.240 1.00 30.87 O -ATOM 5958 CB VAL E 199 -29.597 47.974 -12.544 1.00 26.40 C -ATOM 5959 CG1 VAL E 199 -28.083 48.080 -12.408 1.00 18.93 C -ATOM 5960 CG2 VAL E 199 -29.926 47.021 -13.672 1.00 23.57 C -ATOM 5961 N SER E 200 -32.332 48.660 -11.429 1.00 33.67 N -ATOM 5962 CA SER E 200 -33.776 48.741 -11.553 1.00 33.19 C -ATOM 5963 C SER E 200 -34.115 48.396 -13.003 1.00 35.54 C -ATOM 5964 O SER E 200 -33.242 48.478 -13.875 1.00 39.85 O -ATOM 5965 CB SER E 200 -34.248 50.155 -11.199 1.00 37.05 C -ATOM 5966 OG SER E 200 -33.464 51.145 -11.856 1.00 52.55 O -ATOM 5967 N ALA E 201 -35.359 47.991 -13.261 1.00 34.81 N -ATOM 5968 CA ALA E 201 -35.801 47.652 -14.615 1.00 31.22 C -ATOM 5969 C ALA E 201 -35.640 48.896 -15.472 1.00 32.44 C -ATOM 5970 O ALA E 201 -35.156 48.842 -16.594 1.00 37.99 O -ATOM 5971 CB ALA E 201 -37.247 47.210 -14.602 1.00 29.94 C -ATOM 5972 N THR E 202 -36.044 50.020 -14.906 1.00 38.28 N -ATOM 5973 CA THR E 202 -35.941 51.322 -15.540 1.00 42.37 C -ATOM 5974 C THR E 202 -34.542 51.539 -16.106 1.00 43.35 C -ATOM 5975 O THR E 202 -34.381 51.947 -17.256 1.00 50.81 O -ATOM 5976 CB THR E 202 -36.210 52.414 -14.495 1.00 43.87 C -ATOM 5977 OG1 THR E 202 -37.616 52.527 -14.283 1.00 49.48 O -ATOM 5978 CG2 THR E 202 -35.620 53.748 -14.904 1.00 45.96 C -ATOM 5979 N PHE E 203 -33.538 51.232 -15.297 1.00 40.00 N -ATOM 5980 CA PHE E 203 -32.152 51.421 -15.680 1.00 34.91 C -ATOM 5981 C PHE E 203 -31.689 50.490 -16.788 1.00 34.25 C -ATOM 5982 O PHE E 203 -30.891 50.885 -17.645 1.00 35.13 O -ATOM 5983 CB PHE E 203 -31.267 51.255 -14.454 1.00 31.85 C -ATOM 5984 CG PHE E 203 -29.889 51.805 -14.626 1.00 34.22 C -ATOM 5985 CD1 PHE E 203 -28.886 51.038 -15.216 1.00 33.65 C -ATOM 5986 CD2 PHE E 203 -29.582 53.088 -14.184 1.00 32.38 C -ATOM 5987 CE1 PHE E 203 -27.591 51.543 -15.367 1.00 37.13 C -ATOM 5988 CE2 PHE E 203 -28.290 53.603 -14.329 1.00 35.98 C -ATOM 5989 CZ PHE E 203 -27.292 52.826 -14.921 1.00 32.94 C -ATOM 5990 N TRP E 204 -32.177 49.256 -16.766 1.00 32.31 N -ATOM 5991 CA TRP E 204 -31.791 48.269 -17.767 1.00 30.34 C -ATOM 5992 C TRP E 204 -32.470 48.552 -19.096 1.00 30.84 C -ATOM 5993 O TRP E 204 -31.868 48.394 -20.158 1.00 32.33 O -ATOM 5994 CB TRP E 204 -32.115 46.856 -17.268 1.00 22.11 C -ATOM 5995 CG TRP E 204 -32.192 45.840 -18.342 1.00 24.56 C -ATOM 5996 CD1 TRP E 204 -33.333 45.257 -18.841 1.00 27.25 C -ATOM 5997 CD2 TRP E 204 -31.103 45.296 -19.097 1.00 21.52 C -ATOM 5998 NE1 TRP E 204 -33.017 44.389 -19.868 1.00 23.72 N -ATOM 5999 CE2 TRP E 204 -31.657 44.390 -20.044 1.00 20.00 C -ATOM 6000 CE3 TRP E 204 -29.717 45.485 -19.074 1.00 22.12 C -ATOM 6001 CZ2 TRP E 204 -30.868 43.676 -20.954 1.00 14.66 C -ATOM 6002 CZ3 TRP E 204 -28.930 44.773 -19.988 1.00 17.34 C -ATOM 6003 CH2 TRP E 204 -29.511 43.882 -20.911 1.00 13.16 C -ATOM 6004 N GLN E 205 -33.713 49.012 -19.026 1.00 34.11 N -ATOM 6005 CA GLN E 205 -34.493 49.319 -20.216 1.00 38.84 C -ATOM 6006 C GLN E 205 -34.066 50.609 -20.946 1.00 43.20 C -ATOM 6007 O GLN E 205 -34.697 51.018 -21.928 1.00 44.25 O -ATOM 6008 CB GLN E 205 -35.967 49.401 -19.846 1.00 40.72 C -ATOM 6009 CG GLN E 205 -36.548 48.137 -19.255 1.00 38.39 C -ATOM 6010 CD GLN E 205 -37.944 48.365 -18.705 1.00 42.62 C -ATOM 6011 OE1 GLN E 205 -38.480 49.478 -18.765 1.00 44.01 O -ATOM 6012 NE2 GLN E 205 -38.542 47.314 -18.161 1.00 41.65 N -ATOM 6013 N ASP E 206 -33.016 51.261 -20.458 1.00 47.86 N -ATOM 6014 CA ASP E 206 -32.513 52.492 -21.071 1.00 48.86 C -ATOM 6015 C ASP E 206 -31.305 52.113 -21.952 1.00 45.19 C -ATOM 6016 O ASP E 206 -30.200 51.893 -21.450 1.00 45.74 O -ATOM 6017 CB ASP E 206 -32.108 53.483 -19.974 1.00 50.57 C -ATOM 6018 CG ASP E 206 -32.173 54.936 -20.428 1.00 56.89 C -ATOM 6019 OD1 ASP E 206 -32.192 55.210 -21.650 1.00 64.80 O -ATOM 6020 OD2 ASP E 206 -32.195 55.815 -19.542 1.00 62.15 O -ATOM 6021 N PRO E 207 -31.482 52.118 -23.282 1.00 41.60 N -ATOM 6022 CA PRO E 207 -30.432 51.765 -24.250 1.00 42.10 C -ATOM 6023 C PRO E 207 -29.114 52.535 -24.124 1.00 41.30 C -ATOM 6024 O PRO E 207 -28.095 52.151 -24.719 1.00 40.77 O -ATOM 6025 CB PRO E 207 -31.115 52.009 -25.596 1.00 44.41 C -ATOM 6026 CG PRO E 207 -32.581 51.843 -25.281 1.00 40.61 C -ATOM 6027 CD PRO E 207 -32.691 52.581 -23.982 1.00 38.36 C -ATOM 6028 N ARG E 208 -29.156 53.627 -23.367 1.00 39.13 N -ATOM 6029 CA ARG E 208 -27.989 54.467 -23.130 1.00 44.38 C -ATOM 6030 C ARG E 208 -27.002 53.818 -22.175 1.00 43.01 C -ATOM 6031 O ARG E 208 -25.841 54.211 -22.124 1.00 46.64 O -ATOM 6032 CB ARG E 208 -28.408 55.804 -22.516 1.00 43.12 C -ATOM 6033 CG ARG E 208 -29.148 56.720 -23.440 1.00 41.22 C -ATOM 6034 CD ARG E 208 -29.581 57.937 -22.691 1.00 43.62 C -ATOM 6035 NE ARG E 208 -31.017 58.123 -22.818 1.00 52.36 N -ATOM 6036 CZ ARG E 208 -31.693 59.124 -22.276 1.00 52.86 C -ATOM 6037 NH1 ARG E 208 -31.071 60.041 -21.547 1.00 46.90 N -ATOM 6038 NH2 ARG E 208 -32.990 59.237 -22.525 1.00 61.60 N -ATOM 6039 N ASN E 209 -27.485 52.874 -21.375 1.00 38.95 N -ATOM 6040 CA ASN E 209 -26.639 52.212 -20.402 1.00 32.04 C -ATOM 6041 C ASN E 209 -25.965 50.972 -20.947 1.00 28.21 C -ATOM 6042 O ASN E 209 -26.602 50.103 -21.543 1.00 27.76 O -ATOM 6043 CB ASN E 209 -27.438 51.904 -19.140 1.00 37.06 C -ATOM 6044 CG ASN E 209 -27.935 53.164 -18.449 1.00 36.23 C -ATOM 6045 OD1 ASN E 209 -27.161 54.092 -18.165 1.00 35.67 O -ATOM 6046 ND2 ASN E 209 -29.230 53.208 -18.179 1.00 28.46 N -ATOM 6047 N HIS E 210 -24.659 50.906 -20.733 1.00 24.68 N -ATOM 6048 CA HIS E 210 -23.824 49.812 -21.197 1.00 24.28 C -ATOM 6049 C HIS E 210 -23.269 49.177 -19.934 1.00 25.32 C -ATOM 6050 O HIS E 210 -22.764 49.874 -19.051 1.00 23.34 O -ATOM 6051 CB HIS E 210 -22.697 50.398 -22.075 1.00 25.68 C -ATOM 6052 CG HIS E 210 -21.698 49.398 -22.583 1.00 24.37 C -ATOM 6053 ND1 HIS E 210 -20.356 49.463 -22.269 1.00 29.16 N -ATOM 6054 CD2 HIS E 210 -21.831 48.349 -23.431 1.00 23.91 C -ATOM 6055 CE1 HIS E 210 -19.705 48.502 -22.901 1.00 26.81 C -ATOM 6056 NE2 HIS E 210 -20.578 47.812 -23.615 1.00 27.53 N -ATOM 6057 N PHE E 211 -23.395 47.861 -19.841 1.00 24.94 N -ATOM 6058 CA PHE E 211 -22.920 47.126 -18.677 1.00 24.22 C -ATOM 6059 C PHE E 211 -21.784 46.229 -19.120 1.00 26.66 C -ATOM 6060 O PHE E 211 -21.853 45.600 -20.179 1.00 19.47 O -ATOM 6061 CB PHE E 211 -24.053 46.296 -18.085 1.00 20.34 C -ATOM 6062 CG PHE E 211 -25.344 47.054 -17.950 1.00 19.11 C -ATOM 6063 CD1 PHE E 211 -26.192 47.210 -19.042 1.00 21.19 C -ATOM 6064 CD2 PHE E 211 -25.697 47.642 -16.747 1.00 13.95 C -ATOM 6065 CE1 PHE E 211 -27.371 47.949 -18.927 1.00 22.86 C -ATOM 6066 CE2 PHE E 211 -26.875 48.380 -16.624 1.00 12.91 C -ATOM 6067 CZ PHE E 211 -27.709 48.536 -17.710 1.00 17.35 C -ATOM 6068 N ARG E 212 -20.739 46.164 -18.305 1.00 28.52 N -ATOM 6069 CA ARG E 212 -19.589 45.365 -18.652 1.00 27.38 C -ATOM 6070 C ARG E 212 -18.942 44.651 -17.501 1.00 25.24 C -ATOM 6071 O ARG E 212 -18.438 45.267 -16.581 1.00 26.88 O -ATOM 6072 CB ARG E 212 -18.534 46.224 -19.332 1.00 29.35 C -ATOM 6073 CG ARG E 212 -17.316 45.430 -19.745 1.00 26.65 C -ATOM 6074 CD ARG E 212 -16.331 46.298 -20.470 1.00 27.39 C -ATOM 6075 NE ARG E 212 -15.062 46.349 -19.763 1.00 27.70 N -ATOM 6076 CZ ARG E 212 -14.539 47.463 -19.273 1.00 27.99 C -ATOM 6077 NH1 ARG E 212 -15.179 48.613 -19.431 1.00 24.47 N -ATOM 6078 NH2 ARG E 212 -13.404 47.415 -18.591 1.00 29.20 N -ATOM 6079 N CYS E 213 -18.900 43.336 -17.615 1.00 25.75 N -ATOM 6080 CA CYS E 213 -18.273 42.507 -16.623 1.00 29.15 C -ATOM 6081 C CYS E 213 -16.848 42.334 -17.058 1.00 28.16 C -ATOM 6082 O CYS E 213 -16.595 41.824 -18.140 1.00 37.13 O -ATOM 6083 CB CYS E 213 -18.891 41.127 -16.567 1.00 30.85 C -ATOM 6084 SG CYS E 213 -17.846 40.075 -15.526 1.00 45.75 S -ATOM 6085 N GLN E 214 -15.920 42.738 -16.211 1.00 31.44 N -ATOM 6086 CA GLN E 214 -14.501 42.628 -16.510 1.00 29.38 C -ATOM 6087 C GLN E 214 -13.855 41.650 -15.537 1.00 31.69 C -ATOM 6088 O GLN E 214 -14.170 41.656 -14.343 1.00 39.35 O -ATOM 6089 CB GLN E 214 -13.837 43.993 -16.358 1.00 22.82 C -ATOM 6090 CG GLN E 214 -12.360 43.912 -16.325 1.00 18.36 C -ATOM 6091 CD GLN E 214 -11.734 45.227 -15.999 1.00 30.13 C -ATOM 6092 OE1 GLN E 214 -11.962 46.228 -16.677 1.00 30.29 O -ATOM 6093 NE2 GLN E 214 -10.930 45.243 -14.946 1.00 38.29 N -ATOM 6094 N VAL E 215 -12.940 40.826 -16.023 1.00 22.15 N -ATOM 6095 CA VAL E 215 -12.285 39.885 -15.139 1.00 19.72 C -ATOM 6096 C VAL E 215 -10.814 39.959 -15.412 1.00 21.79 C -ATOM 6097 O VAL E 215 -10.401 39.817 -16.558 1.00 29.99 O -ATOM 6098 CB VAL E 215 -12.776 38.453 -15.385 1.00 18.46 C -ATOM 6099 CG1 VAL E 215 -11.912 37.465 -14.650 1.00 11.56 C -ATOM 6100 CG2 VAL E 215 -14.206 38.322 -14.922 1.00 20.49 C -ATOM 6101 N GLN E 216 -10.016 40.297 -14.405 1.00 23.48 N -ATOM 6102 CA GLN E 216 -8.594 40.347 -14.656 1.00 18.95 C -ATOM 6103 C GLN E 216 -7.948 39.070 -14.227 1.00 19.57 C -ATOM 6104 O GLN E 216 -8.108 38.634 -13.101 1.00 28.33 O -ATOM 6105 CB GLN E 216 -7.894 41.520 -14.018 1.00 17.92 C -ATOM 6106 CG GLN E 216 -6.400 41.370 -14.259 1.00 28.94 C -ATOM 6107 CD GLN E 216 -5.687 42.646 -14.578 1.00 31.19 C -ATOM 6108 OE1 GLN E 216 -4.594 42.614 -15.143 1.00 41.87 O -ATOM 6109 NE2 GLN E 216 -6.261 43.780 -14.174 1.00 39.83 N -ATOM 6110 N PHE E 217 -7.234 38.474 -15.167 1.00 23.25 N -ATOM 6111 CA PHE E 217 -6.551 37.216 -14.982 1.00 20.42 C -ATOM 6112 C PHE E 217 -5.068 37.444 -14.779 1.00 22.24 C -ATOM 6113 O PHE E 217 -4.456 38.287 -15.437 1.00 27.26 O -ATOM 6114 CB PHE E 217 -6.797 36.350 -16.220 1.00 25.71 C -ATOM 6115 CG PHE E 217 -5.985 35.113 -16.260 1.00 23.24 C -ATOM 6116 CD1 PHE E 217 -6.341 34.012 -15.488 1.00 24.98 C -ATOM 6117 CD2 PHE E 217 -4.833 35.059 -17.032 1.00 21.78 C -ATOM 6118 CE1 PHE E 217 -5.552 32.863 -15.481 1.00 28.62 C -ATOM 6119 CE2 PHE E 217 -4.037 33.919 -17.036 1.00 28.64 C -ATOM 6120 CZ PHE E 217 -4.393 32.816 -16.256 1.00 26.23 C -ATOM 6121 N TYR E 218 -4.499 36.718 -13.831 1.00 23.73 N -ATOM 6122 CA TYR E 218 -3.085 36.839 -13.545 1.00 24.77 C -ATOM 6123 C TYR E 218 -2.460 35.528 -13.980 1.00 26.52 C -ATOM 6124 O TYR E 218 -2.729 34.477 -13.395 1.00 31.25 O -ATOM 6125 CB TYR E 218 -2.863 37.123 -12.050 1.00 24.94 C -ATOM 6126 CG TYR E 218 -3.321 38.510 -11.609 1.00 17.17 C -ATOM 6127 CD1 TYR E 218 -4.658 38.767 -11.294 1.00 15.28 C -ATOM 6128 CD2 TYR E 218 -2.415 39.565 -11.537 1.00 18.42 C -ATOM 6129 CE1 TYR E 218 -5.077 40.035 -10.918 1.00 17.77 C -ATOM 6130 CE2 TYR E 218 -2.821 40.836 -11.162 1.00 18.14 C -ATOM 6131 CZ TYR E 218 -4.149 41.064 -10.855 1.00 20.13 C -ATOM 6132 OH TYR E 218 -4.527 42.327 -10.466 1.00 26.11 O -ATOM 6133 N GLY E 219 -1.632 35.603 -15.015 1.00 23.18 N -ATOM 6134 CA GLY E 219 -1.013 34.414 -15.562 1.00 24.76 C -ATOM 6135 C GLY E 219 0.475 34.543 -15.765 1.00 27.04 C -ATOM 6136 O GLY E 219 1.159 35.028 -14.866 1.00 34.67 O -ATOM 6137 N LEU E 220 0.974 34.135 -16.935 1.00 26.69 N -ATOM 6138 CA LEU E 220 2.415 34.185 -17.223 1.00 25.70 C -ATOM 6139 C LEU E 220 2.978 35.581 -17.474 1.00 27.34 C -ATOM 6140 O LEU E 220 2.256 36.521 -17.836 1.00 25.83 O -ATOM 6141 CB LEU E 220 2.797 33.268 -18.379 1.00 18.57 C -ATOM 6142 CG LEU E 220 2.213 31.865 -18.430 1.00 21.08 C -ATOM 6143 CD1 LEU E 220 2.998 31.093 -19.475 1.00 20.87 C -ATOM 6144 CD2 LEU E 220 2.310 31.187 -17.086 1.00 16.99 C -ATOM 6145 N SER E 221 4.289 35.688 -17.306 1.00 33.19 N -ATOM 6146 CA SER E 221 4.987 36.948 -17.456 1.00 42.91 C -ATOM 6147 C SER E 221 5.617 37.115 -18.815 1.00 48.69 C -ATOM 6148 O SER E 221 5.709 36.174 -19.610 1.00 43.97 O -ATOM 6149 CB SER E 221 6.079 37.089 -16.379 1.00 47.94 C -ATOM 6150 OG SER E 221 7.169 36.208 -16.613 1.00 51.70 O -ATOM 6151 N GLU E 222 6.151 38.313 -19.011 1.00 57.69 N -ATOM 6152 CA GLU E 222 6.819 38.685 -20.246 1.00 65.30 C -ATOM 6153 C GLU E 222 8.147 37.929 -20.383 1.00 70.12 C -ATOM 6154 O GLU E 222 8.835 38.059 -21.391 1.00 75.96 O -ATOM 6155 CB GLU E 222 7.049 40.204 -20.281 1.00 62.47 C -ATOM 6156 N ASN E 223 8.512 37.156 -19.362 1.00 73.13 N -ATOM 6157 CA ASN E 223 9.753 36.393 -19.397 1.00 74.60 C -ATOM 6158 C ASN E 223 9.515 34.884 -19.327 1.00 73.28 C -ATOM 6159 O ASN E 223 10.399 34.103 -19.679 1.00 73.09 O -ATOM 6160 CB ASN E 223 10.698 36.842 -18.265 1.00 74.75 C -ATOM 6161 N ASP E 224 8.339 34.467 -18.861 1.00 71.64 N -ATOM 6162 CA ASP E 224 8.053 33.037 -18.768 1.00 69.71 C -ATOM 6163 C ASP E 224 8.145 32.419 -20.157 1.00 67.48 C -ATOM 6164 O ASP E 224 7.709 33.016 -21.140 1.00 66.37 O -ATOM 6165 CB ASP E 224 6.673 32.781 -18.145 1.00 69.10 C -ATOM 6166 CG ASP E 224 6.764 32.319 -16.694 1.00 70.64 C -ATOM 6167 OD1 ASP E 224 7.119 31.137 -16.471 1.00 65.37 O -ATOM 6168 OD2 ASP E 224 6.481 33.132 -15.781 1.00 75.02 O -ATOM 6169 N GLU E 225 8.745 31.237 -20.240 1.00 66.09 N -ATOM 6170 CA GLU E 225 8.907 30.556 -21.524 1.00 61.81 C -ATOM 6171 C GLU E 225 7.617 29.901 -21.988 1.00 56.69 C -ATOM 6172 O GLU E 225 6.889 29.298 -21.198 1.00 53.66 O -ATOM 6173 CB GLU E 225 10.031 29.519 -21.447 1.00 64.25 C -ATOM 6174 N TRP E 226 7.354 30.002 -23.281 1.00 49.63 N -ATOM 6175 CA TRP E 226 6.153 29.422 -23.850 1.00 50.75 C -ATOM 6176 C TRP E 226 6.388 29.021 -25.304 1.00 58.30 C -ATOM 6177 O TRP E 226 6.334 29.857 -26.214 1.00 58.44 O -ATOM 6178 CB TRP E 226 5.015 30.431 -23.759 1.00 44.02 C -ATOM 6179 CG TRP E 226 3.692 29.892 -24.187 1.00 42.15 C -ATOM 6180 CD1 TRP E 226 3.069 30.106 -25.384 1.00 43.61 C -ATOM 6181 CD2 TRP E 226 2.800 29.092 -23.413 1.00 38.57 C -ATOM 6182 NE1 TRP E 226 1.840 29.496 -25.393 1.00 37.78 N -ATOM 6183 CE2 TRP E 226 1.646 28.869 -24.194 1.00 38.97 C -ATOM 6184 CE3 TRP E 226 2.860 28.543 -22.129 1.00 34.63 C -ATOM 6185 CZ2 TRP E 226 0.564 28.127 -23.731 1.00 39.06 C -ATOM 6186 CZ3 TRP E 226 1.784 27.805 -21.673 1.00 38.36 C -ATOM 6187 CH2 TRP E 226 0.650 27.604 -22.471 1.00 35.21 C -ATOM 6188 N THR E 227 6.627 27.737 -25.537 1.00 62.37 N -ATOM 6189 CA THR E 227 6.877 27.279 -26.899 1.00 67.59 C -ATOM 6190 C THR E 227 5.654 26.621 -27.529 1.00 67.46 C -ATOM 6191 O THR E 227 5.787 25.737 -28.378 1.00 67.39 O -ATOM 6192 CB THR E 227 8.075 26.326 -26.917 1.00 69.14 C -ATOM 6193 N GLN E 228 4.462 27.082 -27.162 1.00 63.83 N -ATOM 6194 CA GLN E 228 3.260 26.471 -27.704 1.00 63.45 C -ATOM 6195 C GLN E 228 2.434 27.277 -28.672 1.00 62.95 C -ATOM 6196 O GLN E 228 2.492 28.501 -28.691 1.00 65.43 O -ATOM 6197 CB GLN E 228 2.376 25.901 -26.609 1.00 60.95 C -ATOM 6198 CG GLN E 228 2.878 24.582 -26.105 1.00 64.64 C -ATOM 6199 CD GLN E 228 3.513 24.700 -24.753 1.00 74.18 C -ATOM 6200 OE1 GLN E 228 2.840 24.986 -23.769 1.00 81.73 O -ATOM 6201 NE2 GLN E 228 4.814 24.478 -24.684 1.00 77.88 N -ATOM 6202 N ASP E 229 1.642 26.543 -29.451 1.00 63.67 N -ATOM 6203 CA ASP E 229 0.785 27.102 -30.483 1.00 62.92 C -ATOM 6204 C ASP E 229 -0.409 27.954 -30.094 1.00 61.14 C -ATOM 6205 O ASP E 229 -0.909 28.721 -30.926 1.00 63.16 O -ATOM 6206 N ARG E 230 -0.910 27.805 -28.872 1.00 58.37 N -ATOM 6207 CA ARG E 230 -2.049 28.618 -28.453 1.00 51.51 C -ATOM 6208 C ARG E 230 -1.446 29.888 -27.904 1.00 47.43 C -ATOM 6209 O ARG E 230 -0.240 29.945 -27.679 1.00 45.78 O -ATOM 6210 CB ARG E 230 -2.883 27.919 -27.383 1.00 51.08 C -ATOM 6211 CG ARG E 230 -2.261 27.891 -26.015 1.00 59.64 C -ATOM 6212 CD ARG E 230 -3.179 27.220 -25.019 1.00 64.70 C -ATOM 6213 NE ARG E 230 -2.728 27.449 -23.654 1.00 73.92 N -ATOM 6214 CZ ARG E 230 -2.906 26.598 -22.648 1.00 75.68 C -ATOM 6215 NH1 ARG E 230 -3.515 25.439 -22.841 1.00 78.64 N -ATOM 6216 NH2 ARG E 230 -2.452 26.898 -21.443 1.00 77.88 N -ATOM 6217 N ALA E 231 -2.268 30.910 -27.702 1.00 46.41 N -ATOM 6218 CA ALA E 231 -1.764 32.173 -27.167 1.00 45.02 C -ATOM 6219 C ALA E 231 -1.254 31.985 -25.716 1.00 47.69 C -ATOM 6220 O ALA E 231 -1.894 31.287 -24.898 1.00 52.24 O -ATOM 6221 CB ALA E 231 -2.855 33.246 -27.235 1.00 31.80 C -ATOM 6222 N LYS E 232 -0.070 32.535 -25.434 1.00 44.17 N -ATOM 6223 CA LYS E 232 0.551 32.471 -24.109 1.00 37.75 C -ATOM 6224 C LYS E 232 -0.496 32.980 -23.125 1.00 38.11 C -ATOM 6225 O LYS E 232 -1.025 34.083 -23.299 1.00 39.57 O -ATOM 6226 CB LYS E 232 1.778 33.376 -24.105 1.00 30.00 C -ATOM 6227 CG LYS E 232 2.787 33.132 -23.024 1.00 23.52 C -ATOM 6228 CD LYS E 232 3.965 34.022 -23.305 1.00 27.42 C -ATOM 6229 CE LYS E 232 5.036 33.934 -22.253 1.00 39.95 C -ATOM 6230 NZ LYS E 232 6.184 34.821 -22.587 1.00 41.97 N -ATOM 6231 N PRO E 233 -0.798 32.196 -22.075 1.00 39.08 N -ATOM 6232 CA PRO E 233 -1.801 32.550 -21.053 1.00 39.53 C -ATOM 6233 C PRO E 233 -1.345 33.658 -20.103 1.00 40.62 C -ATOM 6234 O PRO E 233 -1.499 33.554 -18.889 1.00 43.89 O -ATOM 6235 CB PRO E 233 -2.006 31.236 -20.293 1.00 40.54 C -ATOM 6236 CG PRO E 233 -1.127 30.196 -21.026 1.00 40.58 C -ATOM 6237 CD PRO E 233 -0.053 30.996 -21.668 1.00 34.54 C -ATOM 6238 N VAL E 234 -0.838 34.741 -20.675 1.00 36.88 N -ATOM 6239 CA VAL E 234 -0.321 35.870 -19.922 1.00 29.32 C -ATOM 6240 C VAL E 234 -1.378 36.669 -19.140 1.00 29.79 C -ATOM 6241 O VAL E 234 -2.588 36.514 -19.350 1.00 24.16 O -ATOM 6242 CB VAL E 234 0.428 36.818 -20.881 1.00 24.71 C -ATOM 6243 CG1 VAL E 234 1.670 36.159 -21.424 1.00 18.34 C -ATOM 6244 CG2 VAL E 234 -0.475 37.203 -22.025 1.00 18.73 C -ATOM 6245 N THR E 235 -0.901 37.500 -18.213 1.00 33.10 N -ATOM 6246 CA THR E 235 -1.774 38.362 -17.419 1.00 35.05 C -ATOM 6247 C THR E 235 -2.518 39.253 -18.407 1.00 31.91 C -ATOM 6248 O THR E 235 -1.902 39.985 -19.199 1.00 36.30 O -ATOM 6249 CB THR E 235 -0.977 39.267 -16.454 1.00 35.67 C -ATOM 6250 OG1 THR E 235 -0.171 38.462 -15.588 1.00 43.14 O -ATOM 6251 CG2 THR E 235 -1.928 40.114 -15.611 1.00 41.12 C -ATOM 6252 N GLN E 236 -3.839 39.239 -18.306 1.00 30.61 N -ATOM 6253 CA GLN E 236 -4.687 39.995 -19.210 1.00 23.69 C -ATOM 6254 C GLN E 236 -6.062 40.202 -18.596 1.00 21.04 C -ATOM 6255 O GLN E 236 -6.394 39.592 -17.586 1.00 24.78 O -ATOM 6256 CB GLN E 236 -4.830 39.186 -20.497 1.00 24.73 C -ATOM 6257 CG GLN E 236 -5.180 37.733 -20.220 1.00 25.02 C -ATOM 6258 CD GLN E 236 -5.264 36.881 -21.460 1.00 25.90 C -ATOM 6259 OE1 GLN E 236 -6.305 36.834 -22.129 1.00 28.89 O -ATOM 6260 NE2 GLN E 236 -4.198 36.143 -21.741 1.00 21.45 N -ATOM 6261 N ILE E 237 -6.857 41.054 -19.231 1.00 18.74 N -ATOM 6262 CA ILE E 237 -8.214 41.353 -18.800 1.00 18.88 C -ATOM 6263 C ILE E 237 -9.113 40.816 -19.903 1.00 25.58 C -ATOM 6264 O ILE E 237 -8.880 41.085 -21.084 1.00 30.45 O -ATOM 6265 CB ILE E 237 -8.453 42.879 -18.679 1.00 14.14 C -ATOM 6266 CG1 ILE E 237 -7.634 43.474 -17.543 1.00 14.59 C -ATOM 6267 CG2 ILE E 237 -9.902 43.169 -18.466 1.00 8.96 C -ATOM 6268 CD1 ILE E 237 -7.756 44.976 -17.449 1.00 16.72 C -ATOM 6269 N VAL E 238 -10.127 40.049 -19.512 1.00 26.23 N -ATOM 6270 CA VAL E 238 -11.070 39.459 -20.449 1.00 22.65 C -ATOM 6271 C VAL E 238 -12.446 39.926 -20.006 1.00 26.98 C -ATOM 6272 O VAL E 238 -12.857 39.641 -18.881 1.00 28.48 O -ATOM 6273 CB VAL E 238 -11.028 37.922 -20.377 1.00 23.60 C -ATOM 6274 CG1 VAL E 238 -11.930 37.322 -21.440 1.00 24.32 C -ATOM 6275 CG2 VAL E 238 -9.598 37.416 -20.531 1.00 17.21 C -ATOM 6276 N SER E 239 -13.141 40.662 -20.871 1.00 27.57 N -ATOM 6277 CA SER E 239 -14.465 41.179 -20.547 1.00 24.47 C -ATOM 6278 C SER E 239 -15.578 40.664 -21.447 1.00 22.92 C -ATOM 6279 O SER E 239 -15.335 40.035 -22.475 1.00 24.93 O -ATOM 6280 CB SER E 239 -14.468 42.710 -20.634 1.00 21.55 C -ATOM 6281 OG SER E 239 -13.196 43.259 -20.340 1.00 30.36 O -ATOM 6282 N ALA E 240 -16.799 41.009 -21.061 1.00 20.03 N -ATOM 6283 CA ALA E 240 -18.009 40.677 -21.787 1.00 15.10 C -ATOM 6284 C ALA E 240 -18.910 41.860 -21.490 1.00 18.64 C -ATOM 6285 O ALA E 240 -18.699 42.550 -20.500 1.00 17.77 O -ATOM 6286 CB ALA E 240 -18.613 39.422 -21.232 1.00 22.74 C -ATOM 6287 N GLU E 241 -19.911 42.109 -22.322 1.00 23.72 N -ATOM 6288 CA GLU E 241 -20.792 43.242 -22.070 1.00 26.08 C -ATOM 6289 C GLU E 241 -22.217 43.018 -22.465 1.00 23.72 C -ATOM 6290 O GLU E 241 -22.565 41.943 -22.939 1.00 35.20 O -ATOM 6291 CB GLU E 241 -20.277 44.490 -22.773 1.00 33.76 C -ATOM 6292 CG GLU E 241 -20.265 44.413 -24.266 1.00 38.97 C -ATOM 6293 CD GLU E 241 -19.177 45.276 -24.857 1.00 50.16 C -ATOM 6294 OE1 GLU E 241 -18.062 45.326 -24.279 1.00 55.63 O -ATOM 6295 OE2 GLU E 241 -19.431 45.900 -25.902 1.00 48.67 O -ATOM 6296 N ALA E 242 -23.046 44.030 -22.228 1.00 22.27 N -ATOM 6297 CA ALA E 242 -24.468 43.995 -22.573 1.00 23.85 C -ATOM 6298 C ALA E 242 -24.993 45.429 -22.705 1.00 26.96 C -ATOM 6299 O ALA E 242 -24.430 46.347 -22.101 1.00 32.88 O -ATOM 6300 CB ALA E 242 -25.247 43.240 -21.520 1.00 21.26 C -ATOM 6301 N TRP E 243 -26.023 45.631 -23.528 1.00 30.58 N -ATOM 6302 CA TRP E 243 -26.611 46.964 -23.715 1.00 34.16 C -ATOM 6303 C TRP E 243 -28.045 47.022 -23.267 1.00 35.09 C -ATOM 6304 O TRP E 243 -28.808 46.077 -23.508 1.00 32.94 O -ATOM 6305 CB TRP E 243 -26.574 47.427 -25.179 1.00 32.98 C -ATOM 6306 CG TRP E 243 -25.329 48.129 -25.564 1.00 36.15 C -ATOM 6307 CD1 TRP E 243 -25.097 49.490 -25.576 1.00 39.43 C -ATOM 6308 CD2 TRP E 243 -24.141 47.514 -26.045 1.00 41.58 C -ATOM 6309 NE1 TRP E 243 -23.824 49.745 -26.049 1.00 42.49 N -ATOM 6310 CE2 TRP E 243 -23.222 48.551 -26.349 1.00 45.69 C -ATOM 6311 CE3 TRP E 243 -23.760 46.179 -26.259 1.00 43.43 C -ATOM 6312 CZ2 TRP E 243 -21.948 48.290 -26.855 1.00 51.56 C -ATOM 6313 CZ3 TRP E 243 -22.493 45.919 -26.761 1.00 50.41 C -ATOM 6314 CH2 TRP E 243 -21.604 46.972 -27.059 1.00 55.68 C -ATOM 6315 N GLY E 244 -28.403 48.166 -22.678 1.00 37.75 N -ATOM 6316 CA GLY E 244 -29.754 48.417 -22.203 1.00 41.05 C -ATOM 6317 C GLY E 244 -30.772 48.193 -23.304 1.00 43.25 C -ATOM 6318 O GLY E 244 -30.788 48.896 -24.324 1.00 44.17 O -ATOM 6319 N ARG E 245 -31.589 47.166 -23.106 1.00 43.53 N -ATOM 6320 CA ARG E 245 -32.618 46.771 -24.052 1.00 45.66 C -ATOM 6321 C ARG E 245 -33.919 47.424 -23.675 1.00 48.56 C -ATOM 6322 O ARG E 245 -33.957 48.320 -22.848 1.00 50.45 O -ATOM 6323 CB ARG E 245 -32.791 45.251 -24.014 1.00 51.43 C -ATOM 6324 CG ARG E 245 -32.792 44.579 -25.371 1.00 57.36 C -ATOM 6325 CD ARG E 245 -32.534 43.077 -25.251 1.00 65.13 C -ATOM 6326 NE ARG E 245 -31.946 42.556 -26.488 1.00 80.58 N -ATOM 6327 CZ ARG E 245 -32.602 41.859 -27.420 1.00 85.23 C -ATOM 6328 NH1 ARG E 245 -33.887 41.565 -27.270 1.00 88.76 N -ATOM 6329 NH2 ARG E 245 -31.982 41.503 -28.540 1.00 86.11 N -ATOM 6330 N ALA E 246 -34.984 46.938 -24.293 1.00 55.77 N -ATOM 6331 CA ALA E 246 -36.351 47.394 -24.085 1.00 61.41 C -ATOM 6332 C ALA E 246 -37.116 46.470 -25.033 1.00 66.24 C -ATOM 6333 O ALA E 246 -37.460 46.843 -26.148 1.00 71.86 O -ATOM 6334 CB ALA E 246 -36.507 48.866 -24.493 1.00 53.49 C -ATOM 6335 N ASP E 247 -37.224 45.213 -24.623 1.00 72.86 N -ATOM 6336 CA ASP E 247 -37.894 44.171 -25.396 1.00 78.45 C -ATOM 6337 C ASP E 247 -39.404 44.408 -25.446 1.00 79.67 C -ATOM 6338 O ASP E 247 -39.931 45.095 -24.540 1.00 80.65 O -ATOM 6339 CB ASP E 247 -37.614 42.787 -24.777 1.00 85.31 C -ATOM 6340 CG ASP E 247 -36.120 42.518 -24.543 1.00 91.37 C -ATOM 6341 OD1 ASP E 247 -35.428 43.361 -23.927 1.00 95.67 O -ATOM 6342 OD2 ASP E 247 -35.643 41.432 -24.943 1.00 93.36 O -ATOM 6343 OXT ASP E 247 -40.047 43.878 -26.378 1.00 79.42 O -TER 6344 ASP E 247 -HETATM 6345 O HOH A 276 7.217 35.428 22.562 1.00 28.62 O -HETATM 6346 O HOH A 277 12.050 60.881 40.561 1.00 34.79 O -HETATM 6347 O HOH A 278 22.786 27.812 42.491 1.00 72.01 O -HETATM 6348 O HOH A 279 11.859 29.074 33.098 1.00 39.93 O -HETATM 6349 O HOH A 280 46.880 40.024 71.151 1.00 61.52 O -HETATM 6350 O HOH A 281 21.866 30.691 46.388 1.00 60.38 O -HETATM 6351 O HOH A 282 7.026 21.439 29.062 1.00 38.38 O -HETATM 6352 O HOH A 283 9.626 59.738 41.270 1.00 51.40 O -HETATM 6353 O HOH A 284 18.451 22.306 47.056 1.00 44.13 O -HETATM 6354 O HOH B 100 45.543 18.503 43.746 1.00 74.42 O -HETATM 6355 O HOH B 101 26.108 28.142 38.952 1.00 48.63 O -HETATM 6356 O HOH B 102 26.418 39.409 47.615 1.00 64.93 O -HETATM 6357 O HOH B 103 49.310 28.293 47.981 1.00 75.38 O -HETATM 6358 O HOH B 104 55.103 28.475 43.014 1.00 72.85 O -HETATM 6359 O HOH D 211 -26.098 36.480 4.397 1.00 46.51 O -HETATM 6360 O HOH D 212 14.304 36.887 20.928 1.00 24.67 O -HETATM 6361 O HOH D 213 -4.151 44.070 13.264 1.00 34.02 O -HETATM 6362 O HOH D 214 -34.440 40.274 -1.266 1.00 51.73 O -HETATM 6363 O HOH D 215 -29.272 43.637 17.090 1.00 80.31 O -HETATM 6364 O HOH D 216 16.629 38.434 20.359 1.00 57.17 O -HETATM 6365 O HOH D 217 -1.851 38.540 29.612 1.00 42.98 O -HETATM 6366 O HOH D 218 -36.572 33.386 -16.241 1.00 46.94 O -HETATM 6367 O HOH D 219 -36.551 30.170 -16.320 1.00 69.80 O -HETATM 6368 O HOH D 220 -38.674 27.723 -14.300 1.00 54.08 O -HETATM 6369 O HOH D 221 -12.690 36.421 4.615 1.00 62.86 O -HETATM 6370 O HOH D 222 -17.115 25.724 23.647 1.00 51.58 O -HETATM 6371 O HOH D 223 -10.717 43.420 13.702 1.00 54.55 O -HETATM 6372 O HOH E 248 -7.834 28.401 2.800 1.00 73.15 O -HETATM 6373 O HOH E 249 18.462 26.705 2.659 1.00 24.55 O -HETATM 6374 O HOH E 250 16.103 42.466 4.755 1.00 56.84 O -HETATM 6375 O HOH E 251 -23.183 32.818 -5.532 1.00 27.76 O -HETATM 6376 O HOH E 252 0.378 47.513 18.019 1.00 34.80 O -HETATM 6377 O HOH E 253 -2.632 44.002 -12.246 1.00 64.89 O -HETATM 6378 O HOH E 254 -9.132 25.391 -19.867 1.00 24.59 O -HETATM 6379 O HOH E 255 -37.533 52.929 -19.212 1.00 57.34 O -HETATM 6380 O HOH E 256 16.783 32.406 -8.683 1.00 73.10 O -HETATM 6381 O HOH E 257 -10.858 27.299 2.616 1.00 63.18 O -HETATM 6382 O HOH E 258 -11.731 43.369 -12.769 1.00 34.61 O -HETATM 6383 O HOH E 259 3.361 39.263 -10.471 1.00 56.34 O -CONECT 807 1323 -CONECT 1323 807 -CONECT 1630 2062 -CONECT 2062 1630 -CONECT 2386 2829 -CONECT 2829 2386 -CONECT 3223 3754 -CONECT 3754 3223 -CONECT 4038 4391 -CONECT 4391 4038 -CONECT 4651 5170 -CONECT 5170 4651 -CONECT 5570 6084 -CONECT 6084 5570 -MASTER 361 0 0 14 53 0 0 6 6378 5 14 66 -END diff --git a/tmp/mmcif.py b/tmp/mmcif.py deleted file mode 100644 index 01a193396f3..00000000000 --- a/tmp/mmcif.py +++ /dev/null @@ -1,18 +0,0 @@ -import MDAnalysis as mda -from io import StringIO -from pathlib import Path -from MDAnalysis.lib.util import NamedStream - -u = mda.Universe( - NamedStream( - StringIO(open("/home/law/workspace/mdanalysis/tmp/1BD2.cif").read()), - "tmp.cif", - ), - format="mmcif", -) - -tmp_brk = u.select_atoms(f"resid 54 and segid D") - -print(tmp_brk) - -print(tmp_brk.select_atoms("name CA")) From 15441f04b6c5f5330433cc1934d525eeb97e05ae Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Mon, 17 Nov 2025 17:00:50 +0000 Subject: [PATCH 114/133] apply black --- package/MDAnalysis/coordinates/MMCIF.py | 2 +- package/MDAnalysis/topology/MMCIFParser.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index a97b8ad1d31..f9dbbbf206a 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -178,4 +178,4 @@ def _get_structure(self): try: return gemmi.read_pdb_string(content_as_str) except ValueError: - raise e \ No newline at end of file + raise e diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 547d44fe1e6..0ef64618c38 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -257,4 +257,4 @@ def _get_structure(self): try: return gemmi.read_pdb_string(content_as_str) except ValueError: - raise e \ No newline at end of file + raise e From bc89c0bde444ee541ea9377c029d3ab05c164e8e Mon Sep 17 00:00:00 2001 From: Egor Marin Date: Mon, 17 Nov 2025 17:58:38 +0000 Subject: [PATCH 115/133] add one more issue to changelog --- package/CHANGELOG | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/package/CHANGELOG b/package/CHANGELOG index b597fb12505..a401e1ad3a9 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -21,8 +21,9 @@ The rules for this file: Fixes Enhancements - * Add reading from mmCIF, also known as PDBx format, using crystallographic library - `gemmi` as a backend (Issue #2367 and extension of #4303, PR #4712). + * Add reading from mmCIF, also known as PDBx format, using crystallographic + library `gemmi` as a backend (Issue #2367 and extension of #4303, + also solves #5089, PR #4712). * Fix incorrect TPR file parsing for GROMACS topologies produced prior to version 5.1.0 (Issue #5145, PR #5146) * Fixes incorrect assignment of secondary structure to proline residues in From f17062c238e92ac2592759435feb0be1d7757e2d Mon Sep 17 00:00:00 2001 From: Brady Johnston Date: Mon, 27 Apr 2026 17:31:21 +0100 Subject: [PATCH 116/133] address minor fixes --- package/CHANGELOG | 6 +++--- package/MDAnalysis/coordinates/MMCIF.py | 8 ++++---- package/MDAnalysis/topology/MMCIFParser.py | 4 ++-- 3 files changed, 9 insertions(+), 9 deletions(-) diff --git a/package/CHANGELOG b/package/CHANGELOG index b44dc345bc7..dfcabf5cb39 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -24,9 +24,9 @@ The rules for this file: Fixes Enhancements - * Add reading from mmCIF, also known as PDBx format, using crystallographic - library `gemmi` as a backend (Issue #2367 and extension of #4303, - also solves #5089, PR #4712). + * Add reading single-frame fles from mmCIF, also known as PDBx format, using + crystallographic library `gemmi` as a backend (Issue #2367 and extension of + #4303, also solves #5089, PR #4712). * `MDAnalysis.analysis.nucleicacids.WatsonCrickDist`, `MinorPairDist`, and `MajorPairDist` now match residue names against the full resname instead of only the first character, fixing incorrect behaviour with diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index f9dbbbf206a..6d86553d436 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -65,7 +65,7 @@ - wwPDB MMCIF Resources: _ - Gemmi library documentation: _ -.. versionadded:: 2.9.0 +.. versionadded:: 2.11.0 """ import logging @@ -92,11 +92,11 @@ def get_coordinates(model: "gemmi.Model") -> np.ndarray: Parameters ---------- model - input `gemmi.Model`, e.g. `gemmi.read_structure('file.cif')[0]` + input ``gemmi.Model``, e.g. ``gemmi.read_structure('file.cif')[0]`` Returns ------- - np.ndarray, shape [n, 3], where `n` is the number of atoms in the structure. + np.ndarray, shape [n, 3], where ``n`` is the number of atoms in the structure. """ return np.array( [[*at.pos.tolist()] for chain in model for res in chain for at in res] @@ -113,7 +113,7 @@ class MMCIFReader(base.SingleFrameReaderBase): is read here (and a warning is thrown). Also, if the structure has a placeholder "CRYST1" record (1, 1, 1, 90, 90, 90), it's set to ``None`` instead. - .. versionadded:: 2.9.0 + .. versionadded:: 2.11.0 """ format = ["cif", "cif.gz", "mmcif", "mmcif.gz"] diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 0ef64618c38..62056a94b36 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -36,7 +36,7 @@ :members: :inherited-members: -.. versionadded:: 2.9.0 +.. versionadded:: 2.11.0 """ try: @@ -97,7 +97,7 @@ class MMCIFParser(TopologyReaderBase): - :class:`..core.topologyattrs.SegmentAttr` subclasses: - :class:`..core.topologyattrs.Segids` - .. versionadded:: 2.9.0 + .. versionadded:: 2.11.0 """ format = ["cif", "cif.gz", "mmcif", "mmcif.gz"] From 25424a069edc74fedf35a86c04f1587cff37ff11 Mon Sep 17 00:00:00 2001 From: Brady Johnston <36021261+BradyAJohnston@users.noreply.github.com> Date: Mon, 27 Apr 2026 17:35:55 +0100 Subject: [PATCH 117/133] Apply suggestions from code review Co-authored-by: Yuxuan Zhuang Co-authored-by: Oliver Beckstein --- .github/actions/setup-deps/action.yaml | 4 ++-- package/MDAnalysis/coordinates/MMCIF.py | 4 ++-- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/.github/actions/setup-deps/action.yaml b/.github/actions/setup-deps/action.yaml index 13131c4bece..72af05db48a 100644 --- a/.github/actions/setup-deps/action.yaml +++ b/.github/actions/setup-deps/action.yaml @@ -21,8 +21,8 @@ inputs: default: 'codecov' cython: default: 'cython' - fasteners: - default: 'fasteners' + filelock: + default: 'filelock' griddataformats: default: 'griddataformats' gsd: diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 6d86553d436..12b9f5b557e 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -31,7 +31,7 @@ Capabilities ------------ -The MMCIF reader implementation uses the gemmi library to parse files and extract coordinates +The MMCIF reader implementation uses the :mod:`gemmi` library to parse files and extract coordinates and unit cell information. Currently only reading capability is supported, with the following features: @@ -40,7 +40,7 @@ - Support for compressed .cif.gz files - Automatic handling of placeholder unit cells for cryoEM structures -Examples +Basic usage -------- Basic structure loading:: From b2f6abc7e6f47f2c11d677f250e64f39761b9aff Mon Sep 17 00:00:00 2001 From: Brady Johnston Date: Mon, 27 Apr 2026 17:58:42 +0100 Subject: [PATCH 118/133] formatting and doc cleanup --- .github/actions/setup-deps/action.yaml | 2 +- azure-pipelines.yml | 1 + package/CHANGELOG | 2 +- package/MDAnalysis/coordinates/MMCIF.py | 19 +++++---- package/MDAnalysis/topology/MMCIFParser.py | 48 +++++++++++----------- package/MDAnalysis/topology/__init__.py | 2 +- 6 files changed, 38 insertions(+), 36 deletions(-) diff --git a/.github/actions/setup-deps/action.yaml b/.github/actions/setup-deps/action.yaml index 72af05db48a..a7f4523293e 100644 --- a/.github/actions/setup-deps/action.yaml +++ b/.github/actions/setup-deps/action.yaml @@ -61,7 +61,7 @@ inputs: distopia: default: 'distopia>=0.4.0' gemmi: - default: 'gemmi' + default: 'gemmi' h5py: default: 'h5py>=2.10' hole2: diff --git a/azure-pipelines.yml b/azure-pipelines.yml index c5e80b9c579..831d943aa12 100644 --- a/azure-pipelines.yml +++ b/azure-pipelines.yml @@ -114,6 +114,7 @@ jobs: tidynamics>=1.0.0 imdclient>=0.2.2 pytng>=0.3.4 + gemmi>=0.7.3 # remove from azure to avoid test hanging #4707 # "gsd>3.0.0" diff --git a/package/CHANGELOG b/package/CHANGELOG index dfcabf5cb39..9aa9e29141a 100644 --- a/package/CHANGELOG +++ b/package/CHANGELOG @@ -24,7 +24,7 @@ The rules for this file: Fixes Enhancements - * Add reading single-frame fles from mmCIF, also known as PDBx format, using + * Add reading single-frame files from mmCIF, also known as PDBx format, using crystallographic library `gemmi` as a backend (Issue #2367 and extension of #4303, also solves #5089, PR #4712). * `MDAnalysis.analysis.nucleicacids.WatsonCrickDist`, `MinorPairDist`, diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 12b9f5b557e..a5c7b8743ec 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -43,15 +43,15 @@ Basic usage -------- -Basic structure loading:: +Basic structure loading: - .. code-block:: python +.. code-block:: python - # Load structure from MMCIF - u = mda.Universe("structure.cif") + import MDAnalysis as mda + u = mda.Universe("structure.cif") - # or from cif.gz file - u = mda.Universe("structure.cif.gz") + # or from cif.gz file + u = mda.Universe("structure.cif.gz") Classes ------- @@ -62,8 +62,8 @@ See Also -------- -- wwPDB MMCIF Resources: _ -- Gemmi library documentation: _ +* `wwPDB MMCIF Resources `_ +* `Gemmi library documentation `_ .. versionadded:: 2.11.0 """ @@ -129,7 +129,8 @@ def _read_first_frame(self): ) if len(structure) > 1: warnings.warn( - f"File {self.filename} has {len(structure)=} models, but only the first one will be read" + f"File {self.filename} has {len(structure)} models, " + "but only the first one will be read" ) model = structure[0] diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 62056a94b36..ada821be575 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -9,7 +9,7 @@ mmCIF files contain topology information about the molecules in the structure. For each atom the following attributes are read and stored in the relevant topology attributes: - - :class:`..core.topologyattrs.AtomAttr` subclasses: + - :class:`MDAnalysis.core.topologyattrs.AtomAttr` subclasses: - :class:`MDAnalysis.core.topologyattrs.AltLocs` - :class:`MDAnalysis.core.topologyattrs.Atomids` - :class:`MDAnalysis.core.topologyattrs.Atomnames` @@ -21,12 +21,12 @@ - :class:`MDAnalysis.core.topologyattrs.Occupancies` - :class:`MDAnalysis.core.topologyattrs.RecordTypes` - :class:`MDAnalysis.core.topologyattrs.Tempfactors` - - :class:`..core.topologyattrs.ResidueAttr` subclasses: + - :class:`MDAnalysis.core.topologyattrs.ResidueAttr` subclasses: - :class:`MDAnalysis.core.topologyattrs.Resnums` - :class:`MDAnalysis.core.topologyattrs.ICodes` - :class:`MDAnalysis.core.topologyattrs.Resids` - :class:`MDAnalysis.core.topologyattrs.Resnames` - - :class:`..core.topologyattrs.SegmentAttr` subclasses: + - :class:`MDAnalysis.core.topologyattrs.SegmentAttr` subclasses: - :class:`MDAnalysis.core.topologyattrs.Segids` Classes @@ -74,28 +74,28 @@ class MMCIFParser(TopologyReaderBase): - """Parser that obtains a list of atoms from a standard MMCIF/PDBx file using ``gemmi`` library (https://github.com/project-gemmi/gemmi). + """Parser that obtains a list of atoms from a standard MMCIF/PDBx file using the `gemmi library `_. Creates the following Attributes (if present): - - :class:`..core.topologyattrs.AtomAttr` subclasses: - - :class:`..core.topologyattrs.AltLocs` - - :class:`..core.topologyattrs.Atomids` - - :class:`..core.topologyattrs.Atomnames` - - :class:`..core.topologyattrs.Atomtypes` - - :class:`..core.topologyattrs.ChainIDs` - - :class:`..core.topologyattrs.Elements` - - :class:`..core.topologyattrs.FormalCharges` - - :class:`..core.topologyattrs.Masses` - - :class:`..core.topologyattrs.Occupancies` - - :class:`..core.topologyattrs.RecordTypes` - - :class:`..core.topologyattrs.Tempfactors` - - :class:`..core.topologyattrs.ResidueAttr` subclasses: - - :class:`..core.topologyattrs.Resnums` - - :class:`..core.topologyattrs.ICodes` - - :class:`..core.topologyattrs.Resids` - - :class:`..core.topologyattrs.Resnames` - - :class:`..core.topologyattrs.SegmentAttr` subclasses: - - :class:`..core.topologyattrs.Segids` + - :class:`MDAnalysis.core.topologyattrs.AtomAttr` subclasses: + - :class:`MDAnalysis.core.topologyattrs.AltLocs` + - :class:`MDAnalysis.core.topologyattrs.Atomids` + - :class:`MDAnalysis.core.topologyattrs.Atomnames` + - :class:`MDAnalysis.core.topologyattrs.Atomtypes` + - :class:`MDAnalysis.core.topologyattrs.ChainIDs` + - :class:`MDAnalysis.core.topologyattrs.Elements` + - :class:`MDAnalysis.core.topologyattrs.FormalCharges` + - :class:`MDAnalysis.core.topologyattrs.Masses` + - :class:`MDAnalysis.core.topologyattrs.Occupancies` + - :class:`MDAnalysis.core.topologyattrs.RecordTypes` + - :class:`MDAnalysis.core.topologyattrs.Tempfactors` + - :class:`MDAnalysis.core.topologyattrs.ResidueAttr` subclasses: + - :class:`MDAnalysis.core.topologyattrs.Resnums` + - :class:`MDAnalysis.core.topologyattrs.ICodes` + - :class:`MDAnalysis.core.topologyattrs.Resids` + - :class:`MDAnalysis.core.topologyattrs.Resnames` + - :class:`MDAnalysis.core.topologyattrs.SegmentAttr` subclasses: + - :class:`MDAnalysis.core.topologyattrs.Segids` .. versionadded:: 2.11.0 """ @@ -113,7 +113,7 @@ def parse(self, **kwargs) -> Topology: if len(structure) > 1: warnings.warn( - f"MMCIF model {self.filename} contains {len(structure)=} different models, " + f"MMCIF model {self.filename} contains {len(structure)} different models, " "but only the first one will be used to assign the topology" ) model = structure[0] diff --git a/package/MDAnalysis/topology/__init__.py b/package/MDAnalysis/topology/__init__.py index 2e4acf5abc0..2dd26ac91f7 100644 --- a/package/MDAnalysis/topology/__init__.py +++ b/package/MDAnalysis/topology/__init__.py @@ -339,4 +339,4 @@ from . import MinimalParser from . import ITPParser from . import FHIAIMSParser -from . import MMCIFParser \ No newline at end of file +from . import MMCIFParser From 2b64581b7759da26db0c6aa1ef6b917fe379277e Mon Sep 17 00:00:00 2001 From: Brady Johnston Date: Mon, 27 Apr 2026 18:02:40 +0100 Subject: [PATCH 119/133] de-duplicate _read_gemmi_structure --- package/MDAnalysis/coordinates/MMCIF.py | 65 +++++++++++----------- package/MDAnalysis/topology/MMCIFParser.py | 41 +------------- 2 files changed, 36 insertions(+), 70 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index a5c7b8743ec..c6877d71312 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -86,6 +86,39 @@ logger = logging.getLogger("MDAnalysis.coordinates.MMCIF") +def _read_gemmi_structure(filename): + # This function exists because of some lacking methods in the gemmi Python API. + # Within gemmi in C++, one can call `read_structure` and in-memory, string, and filepath + # arguments will all be accepted: + # https://github.com/project-gemmi/gemmi/blob/4416e298f204b7b57bf5b3051d7efd4fe02957cf/include/gemmi/mmread.hpp#L86 + + # However, for MDA to similarly accept common input types like streams (open File-like objs and StringIO objs) + # as well as pathlib.Path() objects, we have to use the Python API methods available currently (as of 0.7.3) + # with a string as a common target for all input types. + # For this, we call gemmi.cif.read_string (https://gemmi.readthedocs.io/en/latest/cif.html#reading) to handle CIF + # strings and gemmi.read_pdb_string to handle PDB strings (no one method can handle both formats currently Py-side) + + # openany() is called instead of passing file paths (when available) differently from streams; + # even though reading the file into a string is less efficient, this is easier to maintain. + + # If the gemmi Python API is extended, this function can be simplified/removed and replaced with something like + # gemmi.read_structure + with util.openany(filename) as f: + content_as_str = f.read() + try: + # String -> Doc -> Block -> Structure + # making Structure from first Block in Document as is done internally in gemmi: + # https://github.com/project-gemmi/gemmi/blob/4416e298f204b7b57bf5b3051d7efd4fe02957cf/include/gemmi/mmcif.hpp#L32 + return gemmi.make_structure_from_block( + gemmi.cif.read_string(content_as_str)[0] + ) + except ValueError as e: + try: + return gemmi.read_pdb_string(content_as_str) + except ValueError: + raise e + + def get_coordinates(model: "gemmi.Model") -> np.ndarray: """Get coordinates of all atoms in the `gemmi.Model` object. @@ -149,34 +182,4 @@ def _read_first_frame(self): self.ts.frame = 0 def _get_structure(self): - # This method exists because of some lacking methods in the gemmi Python API. - # within gemmi in C++, one can call `read_structure` and in-memory, string, and filepath - # arguments will all be accepted: - # https://github.com/project-gemmi/gemmi/blob/4416e298f204b7b57bf5b3051d7efd4fe02957cf/include/gemmi/mmread.hpp#L86 - - # However, for MDA to similarly accept common input types like streams (open File-like objs and StringIO objs) - # as well as pathlib.Path() objects, we have to use the Python API methods available currently (as of 0.7.3) - # with a string as a common target for all input types - # For this, we call gemmi.cif.read_string (https://gemmi.readthedocs.io/en/latest/cif.html#reading) to handle CIF - # strings and gemmi.read_pdb to handle PDB strings (no one method can handle both formats currently Py-side) - - # openany() is called instead of passing file paths (when available) differently from streams - # even though reading the file into a string is less efficient, this is easier to maintain - - # if the gemmi Python API is extended, this method can be simplified/removed and replaced with something like - # gemmi.read_structure - - with util.openany(self.filename) as f: - content_as_str = f.read() - try: - # String -> Doc -> Block -> Structure - # making Structure from first Block in Document as is done internally in gemmi: - # https://github.com/project-gemmi/gemmi/blob/4416e298f204b7b57bf5b3051d7efd4fe02957cf/include/gemmi/mmcif.hpp#L32 - return gemmi.make_structure_from_block( - gemmi.cif.read_string(content_as_str)[0] - ) - except ValueError as e: - try: - return gemmi.read_pdb_string(content_as_str) - except ValueError: - raise e + return _read_gemmi_structure(self.filename) diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index ada821be575..9176458f5a1 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -39,13 +39,6 @@ .. versionadded:: 2.11.0 """ -try: - import gemmi -except ImportError: - HAS_GEMMI = False -else: - HAS_GEMMI = True - import warnings import numpy as np @@ -70,7 +63,7 @@ Tempfactors, ) from .base import TopologyReaderBase, change_squash -from ..lib import util +from ..coordinates.MMCIF import _read_gemmi_structure class MMCIFParser(TopologyReaderBase): @@ -227,34 +220,4 @@ def parse(self, **kwargs) -> Topology: ) def _get_structure(self): - # This method exists because of some lacking methods in the gemmi Python API. - # within gemmi in C++, one can call `read_structure` and in-memory, string, and filepath - # arguments will all be accepted: - # https://github.com/project-gemmi/gemmi/blob/4416e298f204b7b57bf5b3051d7efd4fe02957cf/include/gemmi/mmread.hpp#L86 - - # However, for MDA to similarly accept common input types like streams (open File-like objs and StringIO objs) - # as well as pathlib.Path() objects, we have to use the Python API methods available currently (as of 0.7.3) - # with a string as a common target for all input types - # For this, we call gemmi.cif.read_string (https://gemmi.readthedocs.io/en/latest/cif.html#reading) to handle CIF - # strings and gemmi.read_pdb to handle PDB strings (no one method can handle both formats currently Py-side) - - # openany() is called instead of passing file paths (when available) differently from streams - # even though reading the file into a string is less efficient, this is easier to maintain - - # if the gemmi Python API is extended, this method can be simplified/removed and replaced with something like - # gemmi.read_structure - - with util.openany(self.filename) as f: - content_as_str = f.read() - try: - # String -> Doc -> Block -> Structure - # making Structure from first Block in Document as is done internally in gemmi: - # https://github.com/project-gemmi/gemmi/blob/4416e298f204b7b57bf5b3051d7efd4fe02957cf/include/gemmi/mmcif.hpp#L32 - return gemmi.make_structure_from_block( - gemmi.cif.read_string(content_as_str)[0] - ) - except ValueError as e: - try: - return gemmi.read_pdb_string(content_as_str) - except ValueError: - raise e + return _read_gemmi_structure(self.filename) From d1d84678939294cedfa6bc903ba56080b5a70b58 Mon Sep 17 00:00:00 2001 From: Brady Johnston Date: Mon, 27 Apr 2026 18:19:46 +0100 Subject: [PATCH 120/133] properly expose parsers in topology/init.py --- package/MDAnalysis/topology/__init__.py | 82 ++++++++++++++++--------- 1 file changed, 53 insertions(+), 29 deletions(-) diff --git a/package/MDAnalysis/topology/__init__.py b/package/MDAnalysis/topology/__init__.py index 2dd26ac91f7..91ca5857a18 100644 --- a/package/MDAnalysis/topology/__init__.py +++ b/package/MDAnalysis/topology/__init__.py @@ -311,32 +311,56 @@ """ -__all__ = ['core', 'PSFParser', 'PDBParser', 'PQRParser', 'GROParser', - 'CRDParser', 'TOPParser', 'PDBQTParser', 'TPRParser', - 'LAMMPSParser', 'XYZParser', 'GMSParser', 'DLPolyParser', - 'HoomdXMLParser','GSDParser', 'ITPParser'] - -from . import core -from . import PSFParser -from . import TOPParser -from . import PDBParser -from . import ExtendedPDBParser -from . import PQRParser -from . import GROParser -from . import CRDParser -from . import PDBQTParser -from . import DMSParser -from . import TPRParser -from . import MOL2Parser -from . import LAMMPSParser -from . import XYZParser -from . import TXYZParser -from . import GMSParser -from . import DLPolyParser -from . import HoomdXMLParser -from . import MMTFParser -from . import GSDParser -from . import MinimalParser -from . import ITPParser -from . import FHIAIMSParser -from . import MMCIFParser +__all__ = [ + "CRDParser", + "DLPolyParser", + "DMSParser", + "ExtendedPDBParser", + "FHIAIMSParser", + "GMSParser", + "GROParser", + "GSDParser", + "HoomdXMLParser", + "ITPParser", + "LAMMPSParser", + "MinimalParser", + "MMCIFParser", + "MMTFParser", + "MOL2Parser", + "PDBParser", + "PDBQTParser", + "PQRParser", + "PSFParser", + "TOPParser", + "TPRParser", + "TXYZParser", + "XYZParser", + "core", +] + +from . import ( + CRDParser, + DLPolyParser, + DMSParser, + ExtendedPDBParser, + FHIAIMSParser, + GMSParser, + GROParser, + GSDParser, + HoomdXMLParser, + ITPParser, + LAMMPSParser, + MinimalParser, + MMCIFParser, + MMTFParser, + MOL2Parser, + PDBParser, + PDBQTParser, + PQRParser, + PSFParser, + TOPParser, + TPRParser, + TXYZParser, + XYZParser, + core, +) From bb857a8e13867cfd13364ed9748773e0162e9177 Mon Sep 17 00:00:00 2001 From: Brady Johnston Date: Mon, 27 Apr 2026 18:23:14 +0100 Subject: [PATCH 121/133] undo unnecessary tpr changes --- package/MDAnalysis/topology/tpr/utils.py | 12 ------------ 1 file changed, 12 deletions(-) diff --git a/package/MDAnalysis/topology/tpr/utils.py b/package/MDAnalysis/topology/tpr/utils.py index cec4a3e2299..a6158333de2 100644 --- a/package/MDAnalysis/topology/tpr/utils.py +++ b/package/MDAnalysis/topology/tpr/utils.py @@ -47,43 +47,31 @@ The module also contains the :func:`do_inputrec` to read the TPR header with. """ -from collections.abc import Callable -from typing import Any import numpy as np from mda_xdrlib import xdrlib import struct -from dataclasses import dataclass from . import obj from . import setting from ..base import squash_by from ...core.topology import Topology from ...core.topologyattrs import ( - AltLocs, Atomids, Atomnames, Atomtypes, Masses, Charges, Elements, - Occupancies, - RecordTypes, Resids, Resnames, Moltypes, Molnums, - Resnums, Segids, ChainIDs, Bonds, Angles, Dihedrals, Impropers, - FormalCharges, - AtomAttr, - ResidueAttr, - SegmentAttr, - Tempfactors, ) From b0261792bb66306f6dfafbdd23ca4bb068a65e96 Mon Sep 17 00:00:00 2001 From: Brady Johnston Date: Tue, 28 Apr 2026 08:44:30 +0100 Subject: [PATCH 122/133] refactor main zip into simpler loop --- package/MDAnalysis/coordinates/MMCIF.py | 9 +- package/MDAnalysis/topology/MMCIFParser.py | 132 ++++++++++----------- 2 files changed, 65 insertions(+), 76 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index c6877d71312..a74328ecd25 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -31,7 +31,7 @@ Capabilities ------------ -The MMCIF reader implementation uses the :mod:`gemmi` library to parse files and extract coordinates +The MMCIF reader implementation uses the :mod:`gemmi` library to parse files and extract coordinates and unit cell information. Currently only reading capability is supported, with the following features: @@ -40,7 +40,7 @@ - Support for compressed .cif.gz files - Automatic handling of placeholder unit cells for cryoEM structures -Basic usage +Basic usage -------- Basic structure loading: @@ -67,7 +67,7 @@ .. versionadded:: 2.11.0 """ - +from pathlib import Path import logging import warnings @@ -78,6 +78,7 @@ try: import gemmi + from gemmi import Structure HAS_GEMMI = True except ImportError: @@ -86,7 +87,7 @@ logger = logging.getLogger("MDAnalysis.coordinates.MMCIF") -def _read_gemmi_structure(filename): +def _read_gemmi_structure(filename: str | Path) -> Structure: # This function exists because of some lacking methods in the gemmi Python API. # Within gemmi in C++, one can call `read_structure` and in-memory, string, and filepath # arguments will all be accepted: diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 9176458f5a1..78357edddd0 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -38,6 +38,10 @@ .. versionadded:: 2.11.0 """ +from typing import TYPE_CHECKING + +if TYPE_CHECKING: + from gemmi import Structure import warnings @@ -67,7 +71,8 @@ class MMCIFParser(TopologyReaderBase): - """Parser that obtains a list of atoms from a standard MMCIF/PDBx file using the `gemmi library `_. + """Parser that obtains a list of atoms from a standard MMCIF/PDBx file using + the `gemmi library `_. Creates the following Attributes (if present): - :class:`MDAnalysis.core.topologyattrs.AtomAttr` subclasses: @@ -111,77 +116,56 @@ def parse(self, **kwargs) -> Topology: ) model = structure[0] - ( - altlocs, # at.altloc - serials, # at.serial - names, # at.name - atomtypes, # at.name - # ------------------ - chainids, # chain.name - elements, # at.element.name - formalcharges, # at.charge - weights, # at.element.weight - # ------------------ - occupancies, # at.occ - record_types, # res.het_flag - tempfactors, # at.b_iso - # ------------------ - icodes, # residue.seqid.icode - resids, # residue.seqid.num - resnames, # residue.name - ) = map( # this construct takes np.ndarray of all lists of attributes, extracted from the `gemmi.Model` - np.array, - list( - zip( - *[ - ( - # tuple of attributes - # extracted from residue, atom or chain in the structure - # ------------------ - atom.altloc, # altlocs - atom.serial, # serials - atom.name, # names - atom.name, # atomtypes - # ------------------ - chain.name, # chainids - atom.element.name, # elements - atom.charge, # formalcharges - atom.element.weight, # weights - # ------------------ - atom.occ, # occupancies - residue.het_flag, # record_types - atom.b_iso, # tempfactors - # ------------------ - residue.seqid.icode, # icodes - residue.seqid.num, # resids - residue.name, # resnames - ) - # the main loop over the `gemmi.Model` object - for chain in model - for residue in chain - for atom in residue - ] - ) - ), - ) - - # fill in altlocs, since gemmi has '' as default - altlocs = ["A" if not elem else elem for elem in altlocs] - - # convert default gemmi record types to default MDAnalysis record types - record_types = [ - "ATOM" if record == "A" else "HETATM" if record == "H" else None - for record in record_types - ] - if any((elem is None for elem in record_types)): - raise ValueError("Found an atom that is neither ATOM or HETATM") - - # Atom Attr's + # TODO: gemmi.FlatStructure provides vectorised column access to all atom + # fields and could replace the per-atom Python loop below for a speed-up + # on large structures. gemmi API is still not 100% there yes so worth revisiting + # later once it matures more + altlocs = [] + serials = [] + names = [] + chainids = [] + elements = [] + formalcharges = [] + weights = [] + occupancies = [] + record_types = [] + tempfactors = [] + icodes = [] + resids = [] + resnames = [] + + for chain in model: + for residue in chain: + rec = residue.het_flag + if rec == "A": + rec = "ATOM" + elif rec == "H": + rec = "HETATM" + else: + raise ValueError( + "Found an atom that is neither ATOM nor HETATM" + ) + for atom in residue: + altlocs.append(atom.altloc or "A") + serials.append(atom.serial) + names.append(atom.name) + chainids.append(chain.name) + elements.append(atom.element.name) + formalcharges.append(atom.charge) + weights.append(atom.element.weight) + occupancies.append(atom.occ) + record_types.append(rec) + tempfactors.append(atom.b_iso) + icodes.append(residue.seqid.icode.strip()) + resids.append(residue.seqid.num) + resnames.append(residue.name) + + # Atom Attributes attrs = [ AltLocs(altlocs), Atomids(serials), Atomnames(names), - Atomtypes(atomtypes), + Atomtypes(names), # ---------------------------- ChainIDs(chainids), Elements(elements), @@ -194,7 +178,11 @@ def parse(self, **kwargs) -> Topology: ] n_atoms = len(altlocs) - # Residue Attr's + # Residue Attributes + resids = np.array(resids) + resnames = np.array(resnames) + icodes = np.array(icodes) + chainids = np.array(chainids) residx, (resids, resnames, icodes, chainids) = change_squash( (resids, resnames, icodes, chainids), (resids, resnames, icodes, chainids), @@ -202,10 +190,10 @@ def parse(self, **kwargs) -> Topology: attrs.append(Resids(resids)) attrs.append(Resnames(resnames)) attrs.append(Resnums(resids.copy())) - attrs.append(ICodes([icode.strip() for icode in icodes])) + attrs.append(ICodes(icodes)) n_residues = len(resids) - # Segment Attr's + # Segment Attributes segidx, (segids,) = change_squash((chainids,), (chainids,)) attrs.append(Segids(segids)) n_segments = len(segids) @@ -219,5 +207,5 @@ def parse(self, **kwargs) -> Topology: residue_segindex=segidx, ) - def _get_structure(self): + def _get_structure(self) -> "Structure": return _read_gemmi_structure(self.filename) From 547eed77e63e987e25c37187102f8234d0a387b6 Mon Sep 17 00:00:00 2001 From: Brady Johnston Date: Tue, 28 Apr 2026 08:58:36 +0100 Subject: [PATCH 123/133] match case & logging --- package/MDAnalysis/coordinates/MMCIF.py | 8 +++++-- package/MDAnalysis/topology/MMCIFParser.py | 25 +++++++++++++--------- 2 files changed, 21 insertions(+), 12 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index a74328ecd25..fc92565ad60 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -162,21 +162,25 @@ def _read_first_frame(self): ] ) if len(structure) > 1: - warnings.warn( + wmsg = ( f"File {self.filename} has {len(structure)} models, " "but only the first one will be read" ) + warnings.warn(wmsg) + logger.warning(wmsg) model = structure[0] coords = get_coordinates(model) self.n_atoms = len(coords) self.ts = self._Timestep.from_coordinates(coords, **self._ts_kwargs) if np.allclose(cell_dims, np.array([1.0, 1.0, 1.0, 90.0, 90.0, 90.0])): - warnings.warn( + wmsg = ( "1 A^3 CRYST1 record," " this is usually a placeholder." " Unit cell dimensions will be set to None." ) + warnings.warn(wmsg) + logger.warning(wmsg) self.ts.dimensions = None else: self.ts.dimensions = cell_dims diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 78357edddd0..2137e24d9eb 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -43,8 +43,11 @@ if TYPE_CHECKING: from gemmi import Structure +import logging import warnings +logger = logging.getLogger("MDAnalysis.topology.MMCIFParser") + import numpy as np from ..core.topology import Topology @@ -110,10 +113,12 @@ def parse(self, **kwargs) -> Topology: structure = self._get_structure() if len(structure) > 1: - warnings.warn( + wmsg = ( f"MMCIF model {self.filename} contains {len(structure)} different models, " "but only the first one will be used to assign the topology" ) + warnings.warn(wmsg) + logger.warning(wmsg) model = structure[0] # TODO: gemmi.FlatStructure provides vectorised column access to all atom @@ -136,15 +141,15 @@ def parse(self, **kwargs) -> Topology: for chain in model: for residue in chain: - rec = residue.het_flag - if rec == "A": - rec = "ATOM" - elif rec == "H": - rec = "HETATM" - else: - raise ValueError( - "Found an atom that is neither ATOM nor HETATM" - ) + match residue.het_flag: + case "A": + rec = "ATOM" + case "H": + rec = "HETATM" + case _: + raise ValueError( + "Found an atom that is neither ATOM nor HETATM" + ) for atom in residue: altlocs.append(atom.altloc or "A") serials.append(atom.serial) From 95600b1caba8cff9923d31ff7608009151e0d5dc Mon Sep 17 00:00:00 2001 From: Brady Johnston Date: Tue, 28 Apr 2026 09:09:26 +0100 Subject: [PATCH 124/133] fix gemmi docs linking --- package/MDAnalysis/coordinates/MMCIF.py | 6 +++--- package/doc/sphinx/source/conf.py | 1 + 2 files changed, 4 insertions(+), 3 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index fc92565ad60..9d240724e01 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -6,8 +6,8 @@ ========================================================================== MDAnalysis reads coordinates from MMCIF (macromolecular Crystallographic Information File) files, also known as PDBx/mmCIF format, -using the ``gemmi`` library as a backend. MMCIF is a more modern and flexible alternative to the PDB format, -capable of storing detailed structural and experimental data about biological macromolecules. +using the :mod:`gemmi` library as a backend. MMCIF is a more modern and flexible +alternative to the PDB format, capable of storing detailed structural and experimental data about biological macromolecules. MMCIF files use a structured, tabular format with key-value pairs to store both coordinate and atom information. The format supports multiple models/frames, though this implementation currently only reads the first model @@ -138,7 +138,7 @@ def get_coordinates(model: "gemmi.Model") -> np.ndarray: class MMCIFReader(base.SingleFrameReaderBase): - """Reads from an MMCIF file using ``gemmi`` library as a backend. + """Reads from an MMCIF file using :mod:`gemmi` as a backend. Notes ----- diff --git a/package/doc/sphinx/source/conf.py b/package/doc/sphinx/source/conf.py index 44070577893..da99f4928fd 100644 --- a/package/doc/sphinx/source/conf.py +++ b/package/doc/sphinx/source/conf.py @@ -352,4 +352,5 @@ class KeyStyle(UnsrtStyle): "imdclient": ("https://imdclient.readthedocs.io/en/stable/", None), "pooch": ("https://www.fatiando.org/pooch/latest/", None), "requests": ("https://requests.readthedocs.io/en/latest/", None), + "gemmi": ("https://gemmi.readthedocs.io/en/latest/", None), } From e053cd6eb1c086433af50fb241ea02efa46068e9 Mon Sep 17 00:00:00 2001 From: Brady Johnston Date: Tue, 28 Apr 2026 09:16:25 +0100 Subject: [PATCH 125/133] import Structure behind TYPE_CHECKING --- package/MDAnalysis/coordinates/MMCIF.py | 5 ++++- package/MDAnalysis/topology/MMCIFParser.py | 7 ++++--- 2 files changed, 8 insertions(+), 4 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 9d240724e01..754d717583d 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -67,6 +67,7 @@ .. versionadded:: 2.11.0 """ +from typing import TYPE_CHECKING from pathlib import Path import logging import warnings @@ -76,9 +77,11 @@ from . import base from ..lib import util +if TYPE_CHECKING: + from gemmi import Structure + try: import gemmi - from gemmi import Structure HAS_GEMMI = True except ImportError: diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 2137e24d9eb..b88754e9919 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -38,6 +38,7 @@ .. versionadded:: 2.11.0 """ + from typing import TYPE_CHECKING if TYPE_CHECKING: @@ -46,10 +47,9 @@ import logging import warnings -logger = logging.getLogger("MDAnalysis.topology.MMCIFParser") - import numpy as np +from ..coordinates.MMCIF import _read_gemmi_structure from ..core.topology import Topology from ..core.topologyattrs import ( AltLocs, @@ -70,7 +70,8 @@ Tempfactors, ) from .base import TopologyReaderBase, change_squash -from ..coordinates.MMCIF import _read_gemmi_structure + +logger = logging.getLogger("MDAnalysis.topology.MMCIFParser") class MMCIFParser(TopologyReaderBase): From a7ea152d0f9431ca446db12cb8b40f8960e43d7b Mon Sep 17 00:00:00 2001 From: Brady Johnston Date: Tue, 28 Apr 2026 09:25:55 +0100 Subject: [PATCH 126/133] fix type imports --- package/MDAnalysis/coordinates/MMCIF.py | 13 +++++++------ 1 file changed, 7 insertions(+), 6 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 754d717583d..fa42d4f6d7b 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -67,18 +67,19 @@ .. versionadded:: 2.11.0 """ -from typing import TYPE_CHECKING -from pathlib import Path + import logging import warnings +from pathlib import Path +from typing import TYPE_CHECKING import numpy as np -from . import base from ..lib import util +from . import base if TYPE_CHECKING: - from gemmi import Structure + from gemmi import Model, Structure try: import gemmi @@ -90,7 +91,7 @@ logger = logging.getLogger("MDAnalysis.coordinates.MMCIF") -def _read_gemmi_structure(filename: str | Path) -> Structure: +def _read_gemmi_structure(filename: str | Path) -> "Structure": # This function exists because of some lacking methods in the gemmi Python API. # Within gemmi in C++, one can call `read_structure` and in-memory, string, and filepath # arguments will all be accepted: @@ -123,7 +124,7 @@ def _read_gemmi_structure(filename: str | Path) -> Structure: raise e -def get_coordinates(model: "gemmi.Model") -> np.ndarray: +def get_coordinates(model: "Model") -> np.ndarray: """Get coordinates of all atoms in the `gemmi.Model` object. Parameters From 40d7747013a11fa7e7dabc8d7751312d84a0468f Mon Sep 17 00:00:00 2001 From: Brady Johnston Date: Wed, 29 Apr 2026 15:16:05 +0100 Subject: [PATCH 127/133] cleanup / fix docs --- package/MDAnalysis/coordinates/MMCIF.py | 77 ++++++++-------------- package/MDAnalysis/topology/MMCIFParser.py | 27 +++++--- package/MDAnalysis/topology/PDBParser.py | 10 ++- 3 files changed, 52 insertions(+), 62 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index fa42d4f6d7b..110fa119ed5 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -3,69 +3,50 @@ # """ MMCIF structure files in MDAnalysis --- :mod:`MDAnalysis.coordinates.MMCIF` -========================================================================== +=========================================================================== -MDAnalysis reads coordinates from MMCIF (macromolecular Crystallographic Information File) files, also known as PDBx/mmCIF format, -using the :mod:`gemmi` library as a backend. MMCIF is a more modern and flexible -alternative to the PDB format, capable of storing detailed structural and experimental data about biological macromolecules. - -MMCIF files use a structured, tabular format with key-value pairs to store both coordinate and atom information. -The format supports multiple models/frames, though this implementation currently only reads the first model -and provides warning messages for multi-model files. - -Basic usage ------------ - -Reading an MMCIF file is straightforward: - - .. code-block:: python - - import MDAnalysis as mda - u = mda.Universe("structure.cif") - - -The reader will automatically detect if the structure contains placeholder unit cell information -(usually it's the case for cryoEM structures, and cell parameters are (1, 1, 1, 90, 90, 90)) -and set dimensions to None in that case. +.. versionadded:: 2.11.0 -Capabilities ------------- +MDAnalysis reads coordinates from MMCIF (macromolecular Crystallographic +Information File) files, also known as PDBx/mmCIF format, using the +`gemmi `_ library as a backend. MMCIF is a +more modern and flexible alternative to the PDB format, capable of storing +detailed structural and experimental data about biological macromolecules. -The MMCIF reader implementation uses the :mod:`gemmi` library to parse files and extract coordinates -and unit cell information. Currently only reading capability is supported, with the following -features: +MMCIF files use a structured, tabular format with key-value pairs to store +both coordinate and atom information. The format supports multiple +models/frames, though this implementation currently only reads the first +model and provides warning messages for multi-model files. -- Single frame/model reading -- Unit cell dimensions detection -- Support for compressed .cif.gz files -- Automatic handling of placeholder unit cells for cryoEM structures +The reader automatically detects if the structure contains placeholder unit +cell information (usually the case for cryoEM structures, where cell +parameters are (1, 1, 1, 90, 90, 90)) and sets dimensions to ``None`` +in that case. Basic usage --------- - -Basic structure loading: +----------- .. code-block:: python import MDAnalysis as mda + u = mda.Universe("structure.cif") - # or from cif.gz file + # or from a compressed file u = mda.Universe("structure.cif.gz") -Classes -------- - -.. autoclass:: MMCIFReader - :members: - :inherited-members: - See Also -------- * `wwPDB MMCIF Resources `_ * `Gemmi library documentation `_ -.. versionadded:: 2.11.0 +Classes and Functions +--------------------- + +.. autoclass:: MMCIFReader + :members: + :inherited-members: + """ import logging @@ -114,9 +95,7 @@ def _read_gemmi_structure(filename: str | Path) -> "Structure": # String -> Doc -> Block -> Structure # making Structure from first Block in Document as is done internally in gemmi: # https://github.com/project-gemmi/gemmi/blob/4416e298f204b7b57bf5b3051d7efd4fe02957cf/include/gemmi/mmcif.hpp#L32 - return gemmi.make_structure_from_block( - gemmi.cif.read_string(content_as_str)[0] - ) + return gemmi.make_structure_from_block(gemmi.cif.read_string(content_as_str)[0]) except ValueError as e: try: return gemmi.read_pdb_string(content_as_str) @@ -124,7 +103,7 @@ def _read_gemmi_structure(filename: str | Path) -> "Structure": raise e -def get_coordinates(model: "Model") -> np.ndarray: +def _get_coordinates(model: "Model") -> np.ndarray: """Get coordinates of all atoms in the `gemmi.Model` object. Parameters @@ -174,7 +153,7 @@ def _read_first_frame(self): logger.warning(wmsg) model = structure[0] - coords = get_coordinates(model) + coords = _get_coordinates(model) self.n_atoms = len(coords) self.ts = self._Timestep.from_coordinates(coords, **self._ts_kwargs) if np.allclose(cell_dims, np.array([1.0, 1.0, 1.0, 90.0, 90.0, 90.0])): diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index b88754e9919..39fac71319e 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -3,12 +3,19 @@ # """ MMCIF Topology Parser -==================== +===================== + +.. versionadded:: 2.11.0 + +Read topology information from mmCIF/PDBx coordinate files using the +`Gemmi library `_. + -Read topology information from mmCIF/PDBx coordinate files using the `Gemmi library `_ -mmCIF files contain topology information about the molecules in the structure. For each atom the following attributes are read -and stored in the relevant topology attributes: +mmCIF files contain topology information about the molecules in the +structure. For each atom the following attributes are read and stored +in the relevant topology attributes: + - :class:`MDAnalysis.core.topologyattrs.AtomAttr` subclasses: - :class:`MDAnalysis.core.topologyattrs.AltLocs` - :class:`MDAnalysis.core.topologyattrs.Atomids` @@ -29,14 +36,13 @@ - :class:`MDAnalysis.core.topologyattrs.SegmentAttr` subclasses: - :class:`MDAnalysis.core.topologyattrs.Segids` -Classes -------- +Classes and Functions +--------------------- .. autoclass:: MMCIFParser :members: :inherited-members: -.. versionadded:: 2.11.0 """ from typing import TYPE_CHECKING @@ -76,7 +82,10 @@ class MMCIFParser(TopologyReaderBase): """Parser that obtains a list of atoms from a standard MMCIF/PDBx file using - the `gemmi library `_. + the `gemmi library `_. + + The *filename* argument accepts a file path, a compressed ``.cif.gz`` file, + or a stream/file-like object. Creates the following Attributes (if present): - :class:`MDAnalysis.core.topologyattrs.AtomAttr` subclasses: @@ -98,8 +107,6 @@ class MMCIFParser(TopologyReaderBase): - :class:`MDAnalysis.core.topologyattrs.Resnames` - :class:`MDAnalysis.core.topologyattrs.SegmentAttr` subclasses: - :class:`MDAnalysis.core.topologyattrs.Segids` - - .. versionadded:: 2.11.0 """ format = ["cif", "cif.gz", "mmcif", "mmcif.gz"] diff --git a/package/MDAnalysis/topology/PDBParser.py b/package/MDAnalysis/topology/PDBParser.py index 0396d095857..c3888907ef4 100644 --- a/package/MDAnalysis/topology/PDBParser.py +++ b/package/MDAnalysis/topology/PDBParser.py @@ -53,9 +53,13 @@ .. Note:: You can also use :mod:`~MDAnalysis.topology.MMCIFParser` to parse PDB files - that you're having troubles parsing with standard PDB parser. ``MMCIFParser`` - uses ``gemmi`` library (https://github.com/project-gemmi/gemmi) that is developed - together with RCSB, and might work better for your particular situation. + that you're having trouble parsing with the standard PDB parser. For example:: + + import MDAnalysis as mda + u = mda.Universe("problematic.pdb", topology_format="MMCIF") + + ``MMCIFParser`` uses the `gemmi `_ library, + which is developed together with RCSB and may handle edge cases better. See Also -------- From 6d4d9a4c0140380f1f406ba9def52d85a7b1eba6 Mon Sep 17 00:00:00 2001 From: Brady Johnston Date: Wed, 29 Apr 2026 17:25:14 +0100 Subject: [PATCH 128/133] black format --- package/MDAnalysis/coordinates/MMCIF.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 110fa119ed5..91fec2f0f22 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -95,7 +95,9 @@ def _read_gemmi_structure(filename: str | Path) -> "Structure": # String -> Doc -> Block -> Structure # making Structure from first Block in Document as is done internally in gemmi: # https://github.com/project-gemmi/gemmi/blob/4416e298f204b7b57bf5b3051d7efd4fe02957cf/include/gemmi/mmcif.hpp#L32 - return gemmi.make_structure_from_block(gemmi.cif.read_string(content_as_str)[0]) + return gemmi.make_structure_from_block( + gemmi.cif.read_string(content_as_str)[0] + ) except ValueError as e: try: return gemmi.read_pdb_string(content_as_str) From 4879d6b51de45a1d05a92fcde346f6bf96fff9b8 Mon Sep 17 00:00:00 2001 From: Brady Johnston <36021261+BradyAJohnston@users.noreply.github.com> Date: Wed, 29 Apr 2026 17:49:06 +0100 Subject: [PATCH 129/133] Apply suggestions from code review Co-authored-by: Oliver Beckstein --- package/MDAnalysis/coordinates/MMCIF.py | 4 ++-- package/MDAnalysis/topology/MMCIFParser.py | 4 ++-- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/package/MDAnalysis/coordinates/MMCIF.py b/package/MDAnalysis/coordinates/MMCIF.py index 91fec2f0f22..74fb938439e 100644 --- a/package/MDAnalysis/coordinates/MMCIF.py +++ b/package/MDAnalysis/coordinates/MMCIF.py @@ -40,8 +40,8 @@ * `wwPDB MMCIF Resources `_ * `Gemmi library documentation `_ -Classes and Functions ---------------------- +Classes +------- .. autoclass:: MMCIFReader :members: diff --git a/package/MDAnalysis/topology/MMCIFParser.py b/package/MDAnalysis/topology/MMCIFParser.py index 39fac71319e..36e0b2dd6f3 100644 --- a/package/MDAnalysis/topology/MMCIFParser.py +++ b/package/MDAnalysis/topology/MMCIFParser.py @@ -36,8 +36,8 @@ - :class:`MDAnalysis.core.topologyattrs.SegmentAttr` subclasses: - :class:`MDAnalysis.core.topologyattrs.Segids` -Classes and Functions ---------------------- +Classes +------- .. autoclass:: MMCIFParser :members: From 5ec4a3366580b376213afc2b83ec83ef55e85c18 Mon Sep 17 00:00:00 2001 From: Oliver Beckstein Date: Sat, 11 Jul 2026 17:20:44 -0700 Subject: [PATCH 130/133] reformatted with black 24.10 --- package/MDAnalysis/topology/PDBParser.py | 164 ++++++++++-------- package/doc/sphinx/source/conf.py | 9 +- .../MDAnalysisTests/coordinates/test_mmcif.py | 13 +- .../MDAnalysisTests/topology/test_mmcif.py | 38 ++-- 4 files changed, 121 insertions(+), 103 deletions(-) diff --git a/package/MDAnalysis/topology/PDBParser.py b/package/MDAnalysis/topology/PDBParser.py index c3888907ef4..9d62c876722 100644 --- a/package/MDAnalysis/topology/PDBParser.py +++ b/package/MDAnalysis/topology/PDBParser.py @@ -161,16 +161,22 @@ def hy36decode(width, s): int Base-10 integer corresponding to hybrid36. """ - if (len(s) == width): + if len(s) == width: f = s[0] - if (f == "-" or f == " " or f.isdigit()): + if f == "-" or f == " " or f.isdigit(): return int(s) - elif (f in DIGITS_UPPER_VALUES): - return decode_pure(digits_values=DIGITS_UPPER_VALUES, - s=s) - 10 * 36 ** (width - 1) + 10 ** width - elif (f in DIGITS_LOWER_VALUES): - return decode_pure(digits_values=DIGITS_LOWER_VALUES, - s=s) + 16 * 36 ** (width - 1) + 10 ** width + elif f in DIGITS_UPPER_VALUES: + return ( + decode_pure(digits_values=DIGITS_UPPER_VALUES, s=s) + - 10 * 36 ** (width - 1) + + 10**width + ) + elif f in DIGITS_LOWER_VALUES: + return ( + decode_pure(digits_values=DIGITS_LOWER_VALUES, s=s) + + 16 * 36 ** (width - 1) + + 10**width + ) raise ValueError("invalid number literal.") @@ -229,7 +235,8 @@ class PDBParser(TopologyReaderBase): be generated if the segids is not present or if the chainids are not completely equal to segids. """ - format = ['PDB', 'ENT'] + + format = ["PDB", "ENT"] def parse(self, **kwargs): """Parse atom information from PDB file @@ -243,11 +250,11 @@ def parse(self, **kwargs): try: bonds = self._parsebonds(top.ids.values) except AttributeError: - warnings.warn("Invalid atom serials were present, " - "bonds will not be parsed") + warnings.warn( + "Invalid atom serials were present, " "bonds will not be parsed" + ) except RuntimeError: - warnings.warn("CONECT records was corrupt, " - "bonds will not be parsed") + warnings.warn("CONECT records was corrupt, " "bonds will not be parsed") else: # Issue 2832: don't append Bonds if there are no bonds if bonds: @@ -280,9 +287,9 @@ def _parseatoms(self, **kwargs): line = line.strip() # Remove extra spaces if not line: # Skip line if empty continue - if line.startswith('END'): + if line.startswith("END"): break - if not line.startswith(('ATOM', 'HETATM')): + if not line.startswith(("ATOM", "HETATM")): continue record_types.append(line[:6].strip()) @@ -318,8 +325,9 @@ def _parseatoms(self, **kwargs): resid += 10000 resid_prev = resid except ValueError: - warnings.warn("PDB file is missing resid information. " - "Defaulted to '1'") + warnings.warn( + "PDB file is missing resid information. " "Defaulted to '1'" + ) resid = 1 finally: resids.append(resid) @@ -332,8 +340,9 @@ def _parseatoms(self, **kwargs): # Warn about wrapped serials if self._wrapped_serials: - warnings.warn("Serial numbers went over 100,000. " - "Higher serials have been guessed") + warnings.warn( + "Serial numbers went over 100,000. " "Higher serials have been guessed" + ) # If segids is not equal to chainids, warn the user if any([a != b for a, b in zip(segids, chainids)]): @@ -341,14 +350,17 @@ def _parseatoms(self, **kwargs): # If segids not present, try to use chainids if not any(segids): - logger.info("Setting segids from chainIDs because no segids " - "found in the PDB file.") + logger.info( + "Setting segids from chainIDs because no segids " + "found in the PDB file." + ) segids = chainids # If force_chainids_to_segids is set, use chainids as segids if kwargs.get("force_chainids_to_segids", False): - logger.info("force_chainids_to_segids is set. " - "Using chain IDs as segment IDs.") + logger.info( + "force_chainids_to_segids is set. " "Using chain IDs as segment IDs." + ) segids = chainids n_atoms = len(serials) @@ -356,13 +368,13 @@ def _parseatoms(self, **kwargs): attrs = [] # Make Atom TopologyAttrs for vals, Attr, dtype in ( - (names, Atomnames, object), - (altlocs, AltLocs, object), - (chainids, ChainIDs, object), - (record_types, RecordTypes, object), - (serials, Atomids, np.int32), - (tempfactors, Tempfactors, np.float32), - (occupancies, Occupancies, np.float32), + (names, Atomnames, object), + (altlocs, AltLocs, object), + (chainids, ChainIDs, object), + (record_types, RecordTypes, object), + (serials, Atomids, np.int32), + (tempfactors, Tempfactors, np.float32), + (occupancies, Occupancies, np.float32), ): attrs.append(Attr(np.array(vals, dtype=dtype))) # OPT: We do this check twice, maybe could refactor to avoid this @@ -376,41 +388,47 @@ def _parseatoms(self, **kwargs): if elem.capitalize() in SYMB2Z: validated_elements.append(elem.capitalize()) else: - wmsg = (f"Unknown element {elem} found for some atoms. " - f"These have been given an empty element record. " - f"If needed they can be guessed using " - f"universe.guess_TopologyAttrs(context='default'," - " to_guess=['elements']).") + wmsg = ( + f"Unknown element {elem} found for some atoms. " + f"These have been given an empty element record. " + f"If needed they can be guessed using " + f"universe.guess_TopologyAttrs(context='default'," + " to_guess=['elements'])." + ) warnings.warn(wmsg) - validated_elements.append('') + validated_elements.append("") attrs.append(Elements(np.array(validated_elements, dtype=object))) else: - warnings.warn("Element information is missing, elements attribute " - "will not be populated. If needed these can be" - " guessed using universe.guess_TopologyAttrs(" - "context='default', to_guess=['elements']).") + warnings.warn( + "Element information is missing, elements attribute " + "will not be populated. If needed these can be" + " guessed using universe.guess_TopologyAttrs(" + "context='default', to_guess=['elements'])." + ) if any(formalcharges): try: for i, entry in enumerate(formalcharges): - if not entry == '': - if entry == '0': + if not entry == "": + if entry == "0": # Technically a lack of charge shouldn't be in the # PDB but MDA has a few files that specifically # have 0 entries, indicating that some folks # interpret 0 as an allowed entry formalcharges[i] = 0 - elif ('+' in entry) or ('-' in entry): + elif ("+" in entry) or ("-" in entry): formalcharges[i] = int(entry[::-1]) else: raise ValueError else: formalcharges[i] = 0 except ValueError: - wmsg = (f"Unknown entry {entry} encountered in formal charge " - "field. This likely indicates that the PDB file is " - "not fully standard compliant. The formalcharges " - "attribute will not be populated.") + wmsg = ( + f"Unknown entry {entry} encountered in formal charge " + "field. This likely indicates that the PDB file is " + "not fully standard compliant. The formalcharges " + "attribute will not be populated." + ) warnings.warn(wmsg) else: attrs.append(FormalCharges(np.array(formalcharges, dtype=int))) @@ -418,38 +436,45 @@ def _parseatoms(self, **kwargs): # Residue level stuff from here resids = np.array(resids, dtype=np.int32) resnames = np.array(resnames, dtype=object) - if self.format == 'XPDB': # XPDB doesn't have icodes - icodes = [''] * n_atoms + if self.format == "XPDB": # XPDB doesn't have icodes + icodes = [""] * n_atoms icodes = np.array(icodes, dtype=object) resnums = resids.copy() segids = np.array(segids, dtype=object) residx, (resids, resnames, icodes, resnums, segids) = change_squash( - (resids, resnames, icodes, segids), (resids, resnames, icodes, resnums, segids)) + (resids, resnames, icodes, segids), + (resids, resnames, icodes, resnums, segids), + ) n_residues = len(resids) attrs.append(Resnums(resnums)) attrs.append(Resids(resids)) attrs.append(ICodes(icodes)) attrs.append(Resnames(resnames)) - if ( - kwargs.get("force_chainids_to_segids", False) or - (any(segids) and not any(val is None for val in segids)) + if kwargs.get("force_chainids_to_segids", False) or ( + any(segids) and not any(val is None for val in segids) ): segidx, (segids,) = change_squash((segids,), (segids,)) n_segments = len(segids) attrs.append(Segids(segids)) else: n_segments = 1 - attrs.append(Segids(np.array(['SYSTEM'], dtype=object))) + attrs.append(Segids(np.array(["SYSTEM"], dtype=object))) segidx = None - logger.info("Segment/chain ID is empty, " - "setting segids to default value 'SYSTEM'.") - - top = Topology(n_atoms, n_residues, n_segments, - attrs=attrs, - atom_resindex=residx, - residue_segindex=segidx) + logger.info( + "Segment/chain ID is empty, " + "setting segids to default value 'SYSTEM'." + ) + + top = Topology( + n_atoms, + n_residues, + n_segments, + attrs=attrs, + atom_resindex=residx, + residue_segindex=segidx, + ) return top @@ -462,8 +487,9 @@ def _parsebonds(self, serials): # If the serials wrapped, this won't work if self._wrapped_serials: - warnings.warn("Invalid atom serials were present, bonds will not" - " be parsed") + warnings.warn( + "Invalid atom serials were present, bonds will not" " be parsed" + ) raise AttributeError # gets caught in parse # Mapping between the atom array indicies a.index and atom ids @@ -483,7 +509,8 @@ def _parsebonds(self, serials): # Ignore these as they are not real atoms warnings.warn( "PDB file contained CONECT record to TER entry. " - "These are not included in bonds.") + "These are not included in bonds." + ) else: bonds.add(bond) @@ -517,13 +544,14 @@ def _parse_conect(conect): try: if len(conect[11:]) % n_bond_atoms != 0: - raise RuntimeError("Bond atoms aren't aligned proberly for CONECT " - "record: {}".format(conect)) + raise RuntimeError( + "Bond atoms aren't aligned proberly for CONECT " + "record: {}".format(conect) + ) except ZeroDivisionError: # Conect record with only one entry (CONECT A\n) warnings.warn("Found CONECT record with single entry, ignoring this") return atom_id, [] # return empty list to allow iteration over nothing - bond_atoms = (int(conect[11 + i * 5: 16 + i * 5]) for i in - range(n_bond_atoms)) + bond_atoms = (int(conect[11 + i * 5 : 16 + i * 5]) for i in range(n_bond_atoms)) return atom_id, bond_atoms diff --git a/package/doc/sphinx/source/conf.py b/package/doc/sphinx/source/conf.py index da99f4928fd..d408f96d3d7 100644 --- a/package/doc/sphinx/source/conf.py +++ b/package/doc/sphinx/source/conf.py @@ -70,7 +70,10 @@ class KeyStyle(UnsrtStyle): register_plugin("pybtex.style.labels", "keylabel", KeyLabelStyle) register_plugin("pybtex.style.formatting", "MDA", KeyStyle) -mathjax_path = "https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.0/MathJax.js?config=TeX-AMS-MML_HTMLorMML" +mathjax_path = ( + "https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.0/MathJax.js" + "?config=TeX-AMS-MML_HTMLorMML" +) # for sitemap with https://github.com/jdillard/sphinx-sitemap # This sitemap is correct both for the development and release docs, which @@ -176,9 +179,7 @@ class KeyStyle(UnsrtStyle): # Theme options are theme-specific and customize the look and feel of a theme # further. For a list of options available for each theme, see the # documentation. -html_context = { - "versions_json_url": "https://docs.mdanalysis.org/versions.json" -} +html_context = {"versions_json_url": "https://docs.mdanalysis.org/versions.json"} # The name for this set of Sphinx documents. If None, it defaults to # " v documentation". diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py index 6c694cbf47f..dc5f03da1c4 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -23,9 +23,7 @@ @pytest.mark.filterwarnings("ignore::UserWarning") def test_legacy_pdb_vs_mmcif(mmcif_filename): u_cif = mda.Universe(mmcif_filename) - u_pdb = mda.Universe( - Path(mmcif_filename).with_suffix("").with_suffix(".pdb.gz") - ) + u_pdb = mda.Universe(Path(mmcif_filename).with_suffix("").with_suffix(".pdb.gz")) assert len(u_cif.residues) == len(u_pdb.residues) assert len(u_cif.atoms) == len(u_pdb.atoms) @@ -100,16 +98,17 @@ def test_multimodel_warning_msg(): UserWarning, match=r"File .+ has .+ models, but only the first one will be read", ): - mda.coordinates.MMCIF.MMCIFReader( - f"{MMCIF_FOLDER}/multimodel_warning.cif" - ) + mda.coordinates.MMCIF.MMCIFReader(f"{MMCIF_FOLDER}/multimodel_warning.cif") @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") def test_cryst1_record_placeholder(): with pytest.warns( UserWarning, - match=r"CRYST1 record, this is usually a placeholder. Unit cell dimensions will be set to", + match=( + r"CRYST1 record, this is usually a placeholder. " + r"Unit cell dimensions will be set to" + ), ): assert ( mda.coordinates.MMCIF.MMCIFReader( diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 72fa24cb98a..943041d0308 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -24,13 +24,9 @@ def test_legacy_pdb_vs_mmcif(basename): u_cif = mda.Universe(f"{basename}.cif.gz") u_pdb = mda.Universe(f"{basename}.pdb.gz") assert len(u_pdb.atoms) == len(u_cif.atoms) - assert len(u_pdb.select_atoms("segid *")) == len( - u_cif.select_atoms("segid *") - ) + assert len(u_pdb.select_atoms("segid *")) == len(u_cif.select_atoms("segid *")) - assert len(u_pdb.select_atoms("protein")) == len( - u_cif.select_atoms("protein") - ) + assert len(u_pdb.select_atoms("protein")) == len(u_cif.select_atoms("protein")) assert len(u_pdb.select_atoms("name CA and segid D")) == len( u_cif.select_atoms("name CA and segid D") @@ -40,17 +36,13 @@ def test_legacy_pdb_vs_mmcif(basename): assert len(u_pdb.select_atoms(f"segid {segment}")) == len( u_cif.select_atoms(f"segid {segment}") ) + assert len(u_pdb.select_atoms(f"segid {segment} and resid {resid}")) == len( + u_cif.select_atoms(f"segid {segment} and resid {resid}") + ) assert len( - u_pdb.select_atoms(f"segid {segment} and resid {resid}") - ) == len(u_cif.select_atoms(f"segid {segment} and resid {resid}")) - assert len( - u_pdb.select_atoms( - f"segid {segment} and resid {resid} and name CA" - ) + u_pdb.select_atoms(f"segid {segment} and resid {resid} and name CA") ) == len( - u_cif.select_atoms( - f"segid {segment} and resid {resid} and name CA" - ) + u_cif.select_atoms(f"segid {segment} and resid {resid} and name CA") ) @@ -88,8 +80,7 @@ def test_chains(mmcif_filename, n_chains): def test_sequence(mmcif_filename, sequence): u = mda.Universe(mmcif_filename) in_structure = [ - str(res.resname) - for res in u.select_atoms("protein and chainid A").residues + str(res.resname) for res in u.select_atoms("protein and chainid A").residues ] assert in_structure == sequence, ":".join(in_structure) @@ -104,7 +95,10 @@ def test_wrong_format(): def test_multimodel_warning_msg(): with pytest.warns( UserWarning, - match=r"MMCIF model .+ contains .+ different models, but only the first one will be used to assign the topology", + match=( + r"MMCIF model .+ contains .+ different models, but only the " + r"first one will be used to assign the topology" + ), ): mda.topology.MMCIFParser.MMCIFParser( f"{MMCIF_FOLDER}/multimodel_warning.cif" @@ -124,9 +118,7 @@ def test_multimodel_warning_msg(): (gzip.open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz"), "CIF"), ( util.NamedStream( - StringIO( - util.anyopen(f"{MMCIF_FOLDER}/1BD2_short.cif.gz").read() - ), + StringIO(util.anyopen(f"{MMCIF_FOLDER}/1BD2_short.cif.gz").read()), "some_name.cif", ), "CIF", @@ -143,9 +135,7 @@ def test_multimodel_warning_msg(): ), ( util.NamedStream( - StringIO( - util.anyopen(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz").read() - ), + StringIO(util.anyopen(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz").read()), "some_name.pdb", ), "CIF", From f734ec392b3391d04faf31c73b1b218e78370808 Mon Sep 17 00:00:00 2001 From: Oliver Beckstein Date: Sat, 11 Jul 2026 17:37:38 -0700 Subject: [PATCH 131/133] blacken doc conf.py with local black settings --- package/doc/sphinx/source/conf.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/package/doc/sphinx/source/conf.py b/package/doc/sphinx/source/conf.py index d408f96d3d7..26f65cc255b 100644 --- a/package/doc/sphinx/source/conf.py +++ b/package/doc/sphinx/source/conf.py @@ -179,7 +179,9 @@ class KeyStyle(UnsrtStyle): # Theme options are theme-specific and customize the look and feel of a theme # further. For a list of options available for each theme, see the # documentation. -html_context = {"versions_json_url": "https://docs.mdanalysis.org/versions.json"} +html_context = { + "versions_json_url": "https://docs.mdanalysis.org/versions.json" +} # The name for this set of Sphinx documents. If None, it defaults to # " v documentation". From b592d34d023015383627d48d1706955187e041a1 Mon Sep 17 00:00:00 2001 From: Oliver Beckstein Date: Sat, 11 Jul 2026 17:43:24 -0700 Subject: [PATCH 132/133] blacken test files with local pyproject.toml settings --- .../MDAnalysisTests/coordinates/test_mmcif.py | 8 +++-- .../MDAnalysisTests/topology/test_mmcif.py | 33 +++++++++++++------ 2 files changed, 29 insertions(+), 12 deletions(-) diff --git a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py index dc5f03da1c4..85ffc6f184e 100644 --- a/testsuite/MDAnalysisTests/coordinates/test_mmcif.py +++ b/testsuite/MDAnalysisTests/coordinates/test_mmcif.py @@ -23,7 +23,9 @@ @pytest.mark.filterwarnings("ignore::UserWarning") def test_legacy_pdb_vs_mmcif(mmcif_filename): u_cif = mda.Universe(mmcif_filename) - u_pdb = mda.Universe(Path(mmcif_filename).with_suffix("").with_suffix(".pdb.gz")) + u_pdb = mda.Universe( + Path(mmcif_filename).with_suffix("").with_suffix(".pdb.gz") + ) assert len(u_cif.residues) == len(u_pdb.residues) assert len(u_cif.atoms) == len(u_pdb.atoms) @@ -98,7 +100,9 @@ def test_multimodel_warning_msg(): UserWarning, match=r"File .+ has .+ models, but only the first one will be read", ): - mda.coordinates.MMCIF.MMCIFReader(f"{MMCIF_FOLDER}/multimodel_warning.cif") + mda.coordinates.MMCIF.MMCIFReader( + f"{MMCIF_FOLDER}/multimodel_warning.cif" + ) @pytest.mark.skipif(not HAS_GEMMI, reason="gemmi not installed") diff --git a/testsuite/MDAnalysisTests/topology/test_mmcif.py b/testsuite/MDAnalysisTests/topology/test_mmcif.py index 943041d0308..811b2338862 100644 --- a/testsuite/MDAnalysisTests/topology/test_mmcif.py +++ b/testsuite/MDAnalysisTests/topology/test_mmcif.py @@ -24,9 +24,13 @@ def test_legacy_pdb_vs_mmcif(basename): u_cif = mda.Universe(f"{basename}.cif.gz") u_pdb = mda.Universe(f"{basename}.pdb.gz") assert len(u_pdb.atoms) == len(u_cif.atoms) - assert len(u_pdb.select_atoms("segid *")) == len(u_cif.select_atoms("segid *")) + assert len(u_pdb.select_atoms("segid *")) == len( + u_cif.select_atoms("segid *") + ) - assert len(u_pdb.select_atoms("protein")) == len(u_cif.select_atoms("protein")) + assert len(u_pdb.select_atoms("protein")) == len( + u_cif.select_atoms("protein") + ) assert len(u_pdb.select_atoms("name CA and segid D")) == len( u_cif.select_atoms("name CA and segid D") @@ -36,13 +40,17 @@ def test_legacy_pdb_vs_mmcif(basename): assert len(u_pdb.select_atoms(f"segid {segment}")) == len( u_cif.select_atoms(f"segid {segment}") ) - assert len(u_pdb.select_atoms(f"segid {segment} and resid {resid}")) == len( - u_cif.select_atoms(f"segid {segment} and resid {resid}") - ) assert len( - u_pdb.select_atoms(f"segid {segment} and resid {resid} and name CA") + u_pdb.select_atoms(f"segid {segment} and resid {resid}") + ) == len(u_cif.select_atoms(f"segid {segment} and resid {resid}")) + assert len( + u_pdb.select_atoms( + f"segid {segment} and resid {resid} and name CA" + ) ) == len( - u_cif.select_atoms(f"segid {segment} and resid {resid} and name CA") + u_cif.select_atoms( + f"segid {segment} and resid {resid} and name CA" + ) ) @@ -80,7 +88,8 @@ def test_chains(mmcif_filename, n_chains): def test_sequence(mmcif_filename, sequence): u = mda.Universe(mmcif_filename) in_structure = [ - str(res.resname) for res in u.select_atoms("protein and chainid A").residues + str(res.resname) + for res in u.select_atoms("protein and chainid A").residues ] assert in_structure == sequence, ":".join(in_structure) @@ -118,7 +127,9 @@ def test_multimodel_warning_msg(): (gzip.open(f"{MMCIF_FOLDER}/1BD2_short.cif.gz"), "CIF"), ( util.NamedStream( - StringIO(util.anyopen(f"{MMCIF_FOLDER}/1BD2_short.cif.gz").read()), + StringIO( + util.anyopen(f"{MMCIF_FOLDER}/1BD2_short.cif.gz").read() + ), "some_name.cif", ), "CIF", @@ -135,7 +146,9 @@ def test_multimodel_warning_msg(): ), ( util.NamedStream( - StringIO(util.anyopen(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz").read()), + StringIO( + util.anyopen(f"{MMCIF_FOLDER}/1BD2_short.pdb.gz").read() + ), "some_name.pdb", ), "CIF", From 8751da67bcfcdbe8acdee855af63748e92dd7851 Mon Sep 17 00:00:00 2001 From: Oliver Beckstein Date: Sat, 11 Jul 2026 17:46:26 -0700 Subject: [PATCH 133/133] blackened another file to make black/linter happy --- testsuite/MDAnalysisTests/core/test_atomgroup.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/testsuite/MDAnalysisTests/core/test_atomgroup.py b/testsuite/MDAnalysisTests/core/test_atomgroup.py index 81f757298d3..384b14a5baf 100644 --- a/testsuite/MDAnalysisTests/core/test_atomgroup.py +++ b/testsuite/MDAnalysisTests/core/test_atomgroup.py @@ -1362,7 +1362,9 @@ def test_wrap(self, ag, wrap, ref, method_name): # relevant, so we get the signs to flip any anti-parallel vectors before # comparing the two results arrays signs = np.sign(np.einsum("ij,ij->i", result, ref[method_name])) - assert_almost_equal(result * signs[:, np.newaxis], ref[method_name], self.prec) + assert_almost_equal( + result * signs[:, np.newaxis], ref[method_name], self.prec + ) else: assert_almost_equal(result, ref[method_name], self.prec)