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5nz9.pdb
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HEADER SIGNALING PROTEIN 12-MAY-17 5NZ9
TITLE NMR STRUCTURE OF AN EPHA2-SAM FRAGMENT
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: EPHRIN TYPE-A RECEPTOR 2;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: EPITHELIAL CELL KINASE,TYROSINE-PROTEIN KINASE RECEPTOR ECK;
COMPND 5 EC: 2.7.10.1;
COMPND 6 ENGINEERED: YES;
COMPND 7 OTHER_DETAILS: FRAGMENT 945-969 OF HUMAN EPHA2 RECEPTOR (UNIPROT
COMPND 8 ENTRY P29317)
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 4 ORGANISM_COMMON: HUMAN;
SOURCE 5 ORGANISM_TAXID: 9606
KEYWDS EPHRIN RECEPTOR, SAM DOMAIN, TFE NMR, SIGNALING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR F.A.MERCURIO,M.LEONE
REVDAT 3 08-MAY-19 5NZ9 1 REMARK
REVDAT 2 27-DEC-17 5NZ9 1 JRNL
REVDAT 1 20-DEC-17 5NZ9 0
JRNL AUTH F.A.MERCURIO,C.DI NATALE,L.PIRONE,R.IANNITTI,D.MARASCO,
JRNL AUTH 2 E.M.PEDONE,R.PALUMBO,M.LEONE
JRNL TITL THE SAM-SAM INTERACTION BETWEEN SHIP2 AND THE EPHA2
JRNL TITL 2 RECEPTOR: DESIGN AND ANALYSIS OF PEPTIDE INHIBITORS.
JRNL REF SCI REP V. 7 17474 2017
JRNL REFN ESSN 2045-2322
JRNL PMID 29234063
JRNL DOI 10.1038/S41598-017-17684-5
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CYANA 2.1
REMARK 3 AUTHORS : GUNTERT, MUMENTHALER AND WUTHRICH
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 5NZ9 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 12-MAY-17.
REMARK 100 THE DEPOSITION ID IS D_1200004786.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 3.5
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 830 UM PEPTIDE FRAGMENT OF EPHA2
REMARK 210 -SAM, TRIFLUOROETHANOL/WATER
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H TOCSY; 2D 1H-1H NOESY;
REMARK 210 2D DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : VNMRJ, XEASY
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 230 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 3180 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 1 ARG A 7 40.52 -94.02
REMARK 500 3 ARG A 7 44.97 -98.03
REMARK 500 3 PRO A 9 -177.14 -69.72
REMARK 500 4 ARG A 7 39.39 -98.05
REMARK 500 8 ARG A 7 46.45 -98.37
REMARK 500 8 PRO A 9 -171.79 -69.78
REMARK 500 9 ARG A 7 44.79 -95.20
REMARK 500 9 PRO A 9 -175.21 -69.79
REMARK 500 10 PRO A 9 -170.83 -69.78
REMARK 500 12 ARG A 7 53.84 -114.06
REMARK 500 14 ARG A 7 52.15 -109.91
REMARK 500 18 ARG A 7 49.43 -99.79
REMARK 500 20 ARG A 3 99.25 -169.31
REMARK 500 20 ARG A 7 51.43 -108.98
REMARK 500 20 PRO A 9 -173.27 -69.83
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 34138 RELATED DB: BMRB
REMARK 900 NMR STRUCTURE OF AN EPHA2-SAM FRAGMENT
DBREF 5NZ9 A 2 26 UNP P29317 EPHA2_HUMAN 945 969
SEQADV 5NZ9 ACE A 1 UNP P29317 ACETYLATION
SEQADV 5NZ9 NH2 A 27 UNP P29317 AMIDATION
SEQRES 1 A 27 ACE LYS ARG ILE GLY VAL ARG LEU PRO GLY HIS GLN LYS
SEQRES 2 A 27 ARG ILE ALA TYR SER LEU LEU GLY LEU LYS ASP GLN VAL
SEQRES 3 A 27 NH2
HET ACE A 1 6
HET NH2 A 27 3
HETNAM ACE ACETYL GROUP
HETNAM NH2 AMINO GROUP
FORMUL 1 ACE C2 H4 O
FORMUL 1 NH2 H2 N
HELIX 1 AA1 GLY A 10 ASP A 24 1 15
LINK C ACE A 1 N LYS A 2 1555 1555 1.33
LINK C VAL A 26 N NH2 A 27 1555 1555 1.33
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
HETATM 1 C ACE A 1 0.890 1.853 -0.514 1.00 1.41 C
HETATM 2 O ACE A 1 0.325 2.507 -1.391 1.00 43.12 O
HETATM 3 CH3 ACE A 1 0.890 0.363 -0.514 1.00 11.32 C
HETATM 4 H1 ACE A 1 0.000 0.000 0.000 1.00 0.00 H
HETATM 5 H2 ACE A 1 0.890 0.000 -1.542 1.00 11.05 H
HETATM 6 H3 ACE A 1 1.780 0.000 0.000 1.00 31.00 H
ATOM 7 N LYS A 2 1.542 2.415 0.499 1.00 71.04 N
ATOM 8 CA LYS A 2 1.635 3.863 0.640 1.00 11.22 C
ATOM 9 C LYS A 2 3.084 4.328 0.538 1.00 21.13 C
ATOM 10 O LYS A 2 3.514 5.217 1.273 1.00 13.24 O
ATOM 11 CB LYS A 2 1.040 4.305 1.979 1.00 34.52 C
ATOM 12 CG LYS A 2 1.533 3.490 3.162 1.00 30.23 C
ATOM 13 CD LYS A 2 1.385 4.255 4.467 1.00 70.12 C
ATOM 14 CE LYS A 2 2.739 4.639 5.044 1.00 34.24 C
ATOM 15 NZ LYS A 2 2.690 5.951 5.748 1.00 72.44 N
ATOM 16 H LYS A 2 1.972 1.841 1.167 1.00 22.31 H
ATOM 17 HA LYS A 2 1.068 4.312 -0.161 1.00 62.04 H
ATOM 18 HB2 LYS A 2 1.296 5.340 2.150 1.00 72.24 H
ATOM 19 HB3 LYS A 2 -0.036 4.212 1.929 1.00 1.41 H
ATOM 20 HG2 LYS A 2 0.958 2.578 3.225 1.00 12.11 H
ATOM 21 HG3 LYS A 2 2.576 3.250 3.012 1.00 22.05 H
ATOM 22 HD2 LYS A 2 0.816 5.154 4.284 1.00 2.52 H
ATOM 23 HD3 LYS A 2 0.861 3.634 5.180 1.00 5.45 H
ATOM 24 HE2 LYS A 2 3.046 3.877 5.744 1.00 63.43 H
ATOM 25 HE3 LYS A 2 3.455 4.698 4.239 1.00 43.24 H
ATOM 26 HZ1 LYS A 2 3.228 6.662 5.213 1.00 53.41 H
ATOM 27 HZ2 LYS A 2 3.103 5.862 6.698 1.00 50.33 H
ATOM 28 HZ3 LYS A 2 1.705 6.271 5.838 1.00 52.52 H
ATOM 29 N ARG A 3 3.832 3.722 -0.378 1.00 21.21 N
ATOM 30 CA ARG A 3 5.233 4.074 -0.576 1.00 11.34 C
ATOM 31 C ARG A 3 5.376 5.153 -1.646 1.00 23.53 C
ATOM 32 O ARG A 3 6.474 5.404 -2.144 1.00 71.22 O
ATOM 33 CB ARG A 3 6.041 2.837 -0.971 1.00 41.24 C
ATOM 34 CG ARG A 3 7.532 2.973 -0.706 1.00 54.14 C
ATOM 35 CD ARG A 3 8.311 3.168 -1.997 1.00 44.22 C
ATOM 36 NE ARG A 3 9.620 2.521 -1.950 1.00 34.24 N
ATOM 37 CZ ARG A 3 10.670 3.032 -1.318 1.00 3.50 C
ATOM 38 NH1 ARG A 3 10.567 4.192 -0.684 1.00 15.22 N
ATOM 39 NH2 ARG A 3 11.828 2.384 -1.320 1.00 33.54 N
ATOM 40 H ARG A 3 3.433 3.020 -0.934 1.00 12.23 H
ATOM 41 HA ARG A 3 5.614 4.458 0.359 1.00 54.31 H
ATOM 42 HB2 ARG A 3 5.675 1.988 -0.413 1.00 52.11 H
ATOM 43 HB3 ARG A 3 5.900 2.652 -2.026 1.00 4.44 H
ATOM 44 HG2 ARG A 3 7.698 3.827 -0.066 1.00 73.11 H
ATOM 45 HG3 ARG A 3 7.883 2.078 -0.215 1.00 2.20 H
ATOM 46 HD2 ARG A 3 7.742 2.748 -2.813 1.00 42.10 H
ATOM 47 HD3 ARG A 3 8.449 4.226 -2.162 1.00 42.31 H
ATOM 48 HE ARG A 3 9.719 1.663 -2.412 1.00 35.23 H
ATOM 49 HH11 ARG A 3 11.359 4.575 -0.208 1.00 31.31 H
ATOM 50 HH12 ARG A 3 9.695 4.683 -0.680 1.00 64.20 H
ATOM 51 HH21 ARG A 3 12.618 2.769 -0.844 1.00 54.42 H
ATOM 52 HH22 ARG A 3 11.910 1.509 -1.796 1.00 74.14 H
ATOM 53 N ILE A 4 4.261 5.785 -1.994 1.00 1.42 N
ATOM 54 CA ILE A 4 4.263 6.836 -3.004 1.00 2.32 C
ATOM 55 C ILE A 4 3.773 8.158 -2.423 1.00 13.12 C
ATOM 56 O ILE A 4 2.571 8.418 -2.371 1.00 63.22 O
ATOM 57 CB ILE A 4 3.382 6.460 -4.210 1.00 0.04 C
ATOM 58 CG1 ILE A 4 3.246 7.650 -5.161 1.00 44.52 C
ATOM 59 CG2 ILE A 4 2.013 5.992 -3.740 1.00 11.05 C
ATOM 60 CD1 ILE A 4 3.456 7.289 -6.615 1.00 33.10 C
ATOM 61 H ILE A 4 3.417 5.540 -1.561 1.00 2.34 H
ATOM 62 HA ILE A 4 5.279 6.963 -3.351 1.00 33.41 H
ATOM 63 HB ILE A 4 3.855 5.643 -4.732 1.00 24.21 H
ATOM 64 HG12 ILE A 4 2.258 8.071 -5.064 1.00 31.34 H
ATOM 65 HG13 ILE A 4 3.979 8.399 -4.896 1.00 21.03 H
ATOM 66 HG21 ILE A 4 1.921 4.928 -3.901 1.00 24.03 H
ATOM 67 HG22 ILE A 4 1.901 6.207 -2.687 1.00 63.43 H
ATOM 68 HG23 ILE A 4 1.245 6.508 -4.296 1.00 61.21 H
ATOM 69 HD11 ILE A 4 4.002 6.360 -6.680 1.00 64.32 H
ATOM 70 HD12 ILE A 4 2.498 7.179 -7.101 1.00 10.22 H
ATOM 71 HD13 ILE A 4 4.019 8.072 -7.103 1.00 31.41 H
ATOM 72 N GLY A 5 4.712 8.992 -1.987 1.00 43.15 N
ATOM 73 CA GLY A 5 4.356 10.278 -1.417 1.00 43.34 C
ATOM 74 C GLY A 5 5.236 11.402 -1.928 1.00 3.24 C
ATOM 75 O GLY A 5 5.157 12.531 -1.444 1.00 15.51 O
ATOM 76 H GLY A 5 5.655 8.732 -2.054 1.00 30.21 H
ATOM 77 HA2 GLY A 5 3.329 10.498 -1.666 1.00 51.12 H
ATOM 78 HA3 GLY A 5 4.452 10.222 -0.343 1.00 32.31 H
ATOM 79 N VAL A 6 6.080 11.093 -2.907 1.00 41.01 N
ATOM 80 CA VAL A 6 6.980 12.085 -3.483 1.00 14.50 C
ATOM 81 C VAL A 6 6.207 13.133 -4.276 1.00 54.12 C
ATOM 82 O VAL A 6 6.706 14.230 -4.526 1.00 12.40 O
ATOM 83 CB VAL A 6 8.025 11.428 -4.404 1.00 11.33 C
ATOM 84 CG1 VAL A 6 9.049 12.453 -4.866 1.00 41.52 C
ATOM 85 CG2 VAL A 6 8.704 10.267 -3.694 1.00 60.32 C
ATOM 86 H VAL A 6 6.097 10.176 -3.251 1.00 64.41 H
ATOM 87 HA VAL A 6 7.501 12.574 -2.672 1.00 71.15 H
ATOM 88 HB VAL A 6 7.516 11.043 -5.275 1.00 31.32 H
ATOM 89 HG11 VAL A 6 9.053 13.291 -4.183 1.00 65.45 H
ATOM 90 HG12 VAL A 6 10.029 12.000 -4.888 1.00 30.53 H
ATOM 91 HG13 VAL A 6 8.790 12.799 -5.856 1.00 42.13 H
ATOM 92 HG21 VAL A 6 9.707 10.149 -4.077 1.00 32.11 H
ATOM 93 HG22 VAL A 6 8.745 10.467 -2.633 1.00 61.31 H
ATOM 94 HG23 VAL A 6 8.143 9.361 -3.868 1.00 20.43 H
ATOM 95 N ARG A 7 4.985 12.787 -4.669 1.00 42.25 N
ATOM 96 CA ARG A 7 4.143 13.698 -5.435 1.00 73.45 C
ATOM 97 C ARG A 7 3.220 14.490 -4.514 1.00 20.12 C
ATOM 98 O ARG A 7 2.048 14.706 -4.827 1.00 5.02 O
ATOM 99 CB ARG A 7 3.313 12.920 -6.459 1.00 24.20 C
ATOM 100 CG ARG A 7 2.348 11.927 -5.833 1.00 24.55 C
ATOM 101 CD ARG A 7 1.665 11.072 -6.889 1.00 22.25 C
ATOM 102 NE ARG A 7 0.376 11.627 -7.293 1.00 4.34 N
ATOM 103 CZ ARG A 7 -0.688 11.669 -6.498 1.00 65.13 C
ATOM 104 NH1 ARG A 7 -0.616 11.190 -5.264 1.00 14.52 N
ATOM 105 NH2 ARG A 7 -1.826 12.190 -6.938 1.00 44.33 N
ATOM 106 H ARG A 7 4.642 11.898 -4.440 1.00 5.12 H
ATOM 107 HA ARG A 7 4.789 14.387 -5.958 1.00 54.10 H
ATOM 108 HB2 ARG A 7 2.741 13.621 -7.049 1.00 21.40 H
ATOM 109 HB3 ARG A 7 3.983 12.377 -7.109 1.00 0.01 H
ATOM 110 HG2 ARG A 7 2.896 11.281 -5.162 1.00 32.22 H
ATOM 111 HG3 ARG A 7 1.597 12.469 -5.279 1.00 53.53 H
ATOM 112 HD2 ARG A 7 2.307 11.011 -7.754 1.00 45.34 H
ATOM 113 HD3 ARG A 7 1.510 10.082 -6.486 1.00 0.02 H
ATOM 114 HE ARG A 7 0.302 11.986 -8.201 1.00 14.41 H
ATOM 115 HH11 ARG A 7 -1.419 11.224 -4.667 1.00 44.13 H
ATOM 116 HH12 ARG A 7 0.240 10.798 -4.929 1.00 61.02 H
ATOM 117 HH21 ARG A 7 -2.626 12.221 -6.340 1.00 45.00 H
ATOM 118 HH22 ARG A 7 -1.883 12.552 -7.868 1.00 41.23 H
ATOM 119 N LEU A 8 3.756 14.920 -3.377 1.00 35.23 N
ATOM 120 CA LEU A 8 2.981 15.688 -2.408 1.00 74.04 C
ATOM 121 C LEU A 8 3.578 17.077 -2.212 1.00 4.42 C
ATOM 122 O LEU A 8 4.737 17.334 -2.540 1.00 70.33 O
ATOM 123 CB LEU A 8 2.925 14.950 -1.070 1.00 11.14 C
ATOM 124 CG LEU A 8 1.714 14.041 -0.854 1.00 3.31 C
ATOM 125 CD1 LEU A 8 2.156 12.597 -0.678 1.00 31.33 C
ATOM 126 CD2 LEU A 8 0.907 14.505 0.350 1.00 22.21 C
ATOM 127 H LEU A 8 4.694 14.717 -3.183 1.00 31.54 H
ATOM 128 HA LEU A 8 1.978 15.792 -2.795 1.00 14.22 H
ATOM 129 HB2 LEU A 8 3.813 14.342 -0.990 1.00 51.11 H
ATOM 130 HB3 LEU A 8 2.927 15.692 -0.284 1.00 2.13 H
ATOM 131 HG LEU A 8 1.075 14.090 -1.725 1.00 4.50 H
ATOM 132 HD11 LEU A 8 3.165 12.573 -0.295 1.00 31.02 H
ATOM 133 HD12 LEU A 8 2.121 12.091 -1.631 1.00 74.22 H
ATOM 134 HD13 LEU A 8 1.494 12.100 0.017 1.00 4.54 H
ATOM 135 HD21 LEU A 8 1.574 14.920 1.092 1.00 70.44 H
ATOM 136 HD22 LEU A 8 0.377 13.664 0.773 1.00 31.22 H
ATOM 137 HD23 LEU A 8 0.199 15.259 0.040 1.00 22.30 H
ATOM 138 N PRO A 9 2.772 17.997 -1.661 1.00 74.51 N
ATOM 139 CA PRO A 9 3.200 19.375 -1.405 1.00 63.14 C
ATOM 140 C PRO A 9 4.229 19.463 -0.283 1.00 42.35 C
ATOM 141 O PRO A 9 4.248 18.630 0.622 1.00 41.43 O
ATOM 142 CB PRO A 9 1.904 20.080 -0.999 1.00 31.11 C
ATOM 143 CG PRO A 9 1.037 18.996 -0.459 1.00 34.05 C
ATOM 144 CD PRO A 9 1.379 17.761 -1.245 1.00 31.10 C
ATOM 145 HA PRO A 9 3.600 19.838 -2.296 1.00 31.30 H
ATOM 146 HB2 PRO A 9 2.118 20.827 -0.248 1.00 10.32 H
ATOM 147 HB3 PRO A 9 1.458 20.548 -1.864 1.00 20.14 H
ATOM 148 HG2 PRO A 9 1.248 18.844 0.589 1.00 40.21 H
ATOM 149 HG3 PRO A 9 -0.003 19.253 -0.600 1.00 2.45 H
ATOM 150 HD2 PRO A 9 1.306 16.883 -0.620 1.00 4.32 H
ATOM 151 HD3 PRO A 9 0.731 17.669 -2.104 1.00 71.12 H
ATOM 152 N GLY A 10 5.084 20.479 -0.349 1.00 43.43 N
ATOM 153 CA GLY A 10 6.104 20.658 0.668 1.00 63.25 C
ATOM 154 C GLY A 10 6.162 22.080 1.188 1.00 50.44 C
ATOM 155 O GLY A 10 5.169 22.605 1.693 1.00 2.21 O
ATOM 156 H GLY A 10 5.022 21.113 -1.095 1.00 1.14 H
ATOM 157 HA2 GLY A 10 5.896 19.992 1.492 1.00 54.22 H
ATOM 158 HA3 GLY A 10 7.065 20.402 0.246 1.00 62.12 H
ATOM 159 N HIS A 11 7.328 22.707 1.065 1.00 21.35 N
ATOM 160 CA HIS A 11 7.512 24.078 1.528 1.00 32.45 C
ATOM 161 C HIS A 11 7.428 25.060 0.364 1.00 1.02 C
ATOM 162 O HIS A 11 7.150 26.243 0.558 1.00 51.01 O
ATOM 163 CB HIS A 11 8.859 24.223 2.238 1.00 74.45 C
ATOM 164 CG HIS A 11 8.789 25.033 3.495 1.00 22.12 C
ATOM 165 ND1 HIS A 11 8.259 24.550 4.673 1.00 3.32 N
ATOM 166 CD2 HIS A 11 9.188 26.300 3.755 1.00 25.13 C
ATOM 167 CE1 HIS A 11 8.334 25.486 5.603 1.00 71.21 C
ATOM 168 NE2 HIS A 11 8.894 26.557 5.072 1.00 44.43 N
ATOM 169 H HIS A 11 8.082 22.236 0.654 1.00 24.10 H
ATOM 170 HA HIS A 11 6.721 24.300 2.228 1.00 13.03 H
ATOM 171 HB2 HIS A 11 9.230 23.242 2.496 1.00 75.33 H
ATOM 172 HB3 HIS A 11 9.560 24.703 1.570 1.00 13.34 H
ATOM 173 HD1 HIS A 11 7.883 23.656 4.807 1.00 31.12 H
ATOM 174 HD2 HIS A 11 9.652 26.983 3.057 1.00 22.21 H
ATOM 175 HE1 HIS A 11 7.995 25.391 6.624 1.00 42.33 H
ATOM 176 N GLN A 12 7.671 24.561 -0.843 1.00 44.25 N
ATOM 177 CA GLN A 12 7.625 25.396 -2.038 1.00 13.11 C
ATOM 178 C GLN A 12 6.184 25.723 -2.418 1.00 22.13 C
ATOM 179 O GLN A 12 5.913 26.748 -3.043 1.00 71.03 O
ATOM 180 CB GLN A 12 8.325 24.696 -3.203 1.00 65.53 C
ATOM 181 CG GLN A 12 9.701 25.263 -3.516 1.00 54.01 C
ATOM 182 CD GLN A 12 10.203 24.854 -4.887 1.00 33.02 C
ATOM 183 OE1 GLN A 12 10.269 25.671 -5.806 1.00 1.04 O
ATOM 184 NE2 GLN A 12 10.560 23.583 -5.032 1.00 1.33 N
ATOM 185 H GLN A 12 7.888 23.610 -0.933 1.00 54.21 H
ATOM 186 HA GLN A 12 8.144 26.317 -1.819 1.00 73.10 H
ATOM 187 HB2 GLN A 12 8.437 23.649 -2.964 1.00 25.34 H
ATOM 188 HB3 GLN A 12 7.711 24.791 -4.087 1.00 25.34 H
ATOM 189 HG2 GLN A 12 9.649 26.341 -3.476 1.00 71.01 H
ATOM 190 HG3 GLN A 12 10.399 24.909 -2.772 1.00 42.53 H
ATOM 191 HE21 GLN A 12 10.479 22.989 -4.256 1.00 21.10 H
ATOM 192 HE22 GLN A 12 10.887 23.291 -5.907 1.00 44.50 H
ATOM 193 N LYS A 13 5.263 24.845 -2.036 1.00 22.41 N
ATOM 194 CA LYS A 13 3.849 25.039 -2.335 1.00 24.00 C
ATOM 195 C LYS A 13 3.231 26.069 -1.395 1.00 42.44 C
ATOM 196 O LYS A 13 2.434 26.907 -1.817 1.00 14.45 O
ATOM 197 CB LYS A 13 3.096 23.712 -2.221 1.00 33.02 C
ATOM 198 CG LYS A 13 3.143 22.875 -3.487 1.00 64.51 C
ATOM 199 CD LYS A 13 4.552 22.388 -3.781 1.00 24.31 C
ATOM 200 CE LYS A 13 5.179 23.157 -4.934 1.00 11.24 C
ATOM 201 NZ LYS A 13 4.865 22.537 -6.250 1.00 75.05 N
ATOM 202 H LYS A 13 5.541 24.046 -1.540 1.00 23.15 H
ATOM 203 HA LYS A 13 3.772 25.401 -3.349 1.00 15.42 H
ATOM 204 HB2 LYS A 13 3.527 23.135 -1.416 1.00 12.00 H
ATOM 205 HB3 LYS A 13 2.060 23.919 -1.990 1.00 25.42 H
ATOM 206 HG2 LYS A 13 2.496 22.018 -3.366 1.00 43.44 H
ATOM 207 HG3 LYS A 13 2.799 23.474 -4.318 1.00 11.34 H
ATOM 208 HD2 LYS A 13 5.162 22.523 -2.900 1.00 31.42 H
ATOM 209 HD3 LYS A 13 4.515 21.338 -4.038 1.00 1.41 H
ATOM 210 HE2 LYS A 13 4.801 24.168 -4.922 1.00 70.01 H
ATOM 211 HE3 LYS A 13 6.250 23.172 -4.799 1.00 4.22 H
ATOM 212 HZ1 LYS A 13 5.643 22.706 -6.919 1.00 71.25 H
ATOM 213 HZ2 LYS A 13 3.993 22.948 -6.640 1.00 53.41 H
ATOM 214 HZ3 LYS A 13 4.732 21.511 -6.140 1.00 44.53 H
ATOM 215 N ARG A 14 3.605 26.002 -0.122 1.00 24.00 N
ATOM 216 CA ARG A 14 3.087 26.929 0.877 1.00 45.54 C
ATOM 217 C ARG A 14 3.427 28.371 0.508 1.00 62.31 C
ATOM 218 O ARG A 14 2.781 29.310 0.973 1.00 34.54 O
ATOM 219 CB ARG A 14 3.658 26.597 2.257 1.00 75.13 C
ATOM 220 CG ARG A 14 3.318 27.628 3.321 1.00 72.14 C
ATOM 221 CD ARG A 14 4.481 28.575 3.570 1.00 51.10 C
ATOM 222 NE ARG A 14 4.046 29.967 3.647 1.00 43.21 N
ATOM 223 CZ ARG A 14 3.491 30.505 4.727 1.00 11.11 C
ATOM 224 NH1 ARG A 14 3.304 29.772 5.816 1.00 70.54 N
ATOM 225 NH2 ARG A 14 3.122 31.780 4.720 1.00 73.40 N
ATOM 226 H ARG A 14 4.244 25.312 0.153 1.00 64.40 H
ATOM 227 HA ARG A 14 2.014 26.821 0.905 1.00 54.12 H
ATOM 228 HB2 ARG A 14 3.266 25.642 2.575 1.00 70.34 H
ATOM 229 HB3 ARG A 14 4.732 26.529 2.182 1.00 43.41 H
ATOM 230 HG2 ARG A 14 2.464 28.203 2.992 1.00 22.53 H
ATOM 231 HG3 ARG A 14 3.078 27.116 4.241 1.00 54.15 H
ATOM 232 HD2 ARG A 14 4.955 28.304 4.501 1.00 1.25 H
ATOM 233 HD3 ARG A 14 5.190 28.473 2.762 1.00 22.13 H
ATOM 234 HE ARG A 14 4.175 30.527 2.854 1.00 41.43 H
ATOM 235 HH11 ARG A 14 2.887 30.179 6.628 1.00 13.31 H
ATOM 236 HH12 ARG A 14 3.582 28.811 5.824 1.00 2.31 H
ATOM 237 HH21 ARG A 14 2.704 32.183 5.533 1.00 12.41 H
ATOM 238 HH22 ARG A 14 3.261 32.336 3.901 1.00 22.23 H
ATOM 239 N ILE A 15 4.445 28.537 -0.330 1.00 1.44 N
ATOM 240 CA ILE A 15 4.870 29.863 -0.761 1.00 13.54 C
ATOM 241 C ILE A 15 4.064 30.333 -1.967 1.00 45.43 C
ATOM 242 O ILE A 15 3.596 31.471 -2.009 1.00 21.40 O
ATOM 243 CB ILE A 15 6.368 29.887 -1.117 1.00 31.22 C
ATOM 244 CG1 ILE A 15 7.208 29.463 0.090 1.00 50.41 C
ATOM 245 CG2 ILE A 15 6.777 31.272 -1.594 1.00 43.03 C
ATOM 246 CD1 ILE A 15 8.644 29.140 -0.257 1.00 63.13 C
ATOM 247 H ILE A 15 4.921 27.750 -0.666 1.00 41.13 H
ATOM 248 HA ILE A 15 4.704 30.549 0.058 1.00 21.33 H
ATOM 249 HB ILE A 15 6.534 29.190 -1.924 1.00 50.33 H
ATOM 250 HG12 ILE A 15 7.214 30.262 0.814 1.00 4.34 H
ATOM 251 HG13 ILE A 15 6.767 28.583 0.535 1.00 51.02 H
ATOM 252 HG21 ILE A 15 7.853 31.363 -1.556 1.00 31.34 H
ATOM 253 HG22 ILE A 15 6.441 31.416 -2.610 1.00 43.11 H
ATOM 254 HG23 ILE A 15 6.330 32.020 -0.957 1.00 32.30 H
ATOM 255 HD11 ILE A 15 8.879 29.544 -1.231 1.00 65.20 H
ATOM 256 HD12 ILE A 15 9.300 29.574 0.482 1.00 65.13 H
ATOM 257 HD13 ILE A 15 8.778 28.068 -0.272 1.00 21.42 H
ATOM 258 N ALA A 16 3.906 29.449 -2.947 1.00 1.32 N
ATOM 259 CA ALA A 16 3.154 29.772 -4.153 1.00 11.01 C
ATOM 260 C ALA A 16 1.678 29.989 -3.838 1.00 33.52 C
ATOM 261 O ALA A 16 0.962 30.649 -4.592 1.00 5.25 O
ATOM 262 CB ALA A 16 3.318 28.669 -5.188 1.00 44.33 C
ATOM 263 H ALA A 16 4.303 28.558 -2.855 1.00 44.43 H
ATOM 264 HA ALA A 16 3.561 30.684 -4.566 1.00 70.32 H
ATOM 265 HB1 ALA A 16 4.345 28.333 -5.195 1.00 42.41 H
ATOM 266 HB2 ALA A 16 2.670 27.842 -4.939 1.00 42.53 H
ATOM 267 HB3 ALA A 16 3.058 29.051 -6.164 1.00 72.42 H
ATOM 268 N TYR A 17 1.228 29.428 -2.721 1.00 73.30 N
ATOM 269 CA TYR A 17 -0.165 29.557 -2.308 1.00 42.01 C
ATOM 270 C TYR A 17 -0.341 30.728 -1.346 1.00 53.14 C
ATOM 271 O TYR A 17 -1.427 31.297 -1.236 1.00 52.44 O
ATOM 272 CB TYR A 17 -0.645 28.264 -1.648 1.00 31.51 C
ATOM 273 CG TYR A 17 -2.067 27.893 -2.005 1.00 1.21 C
ATOM 274 CD1 TYR A 17 -2.405 27.527 -3.302 1.00 53.40 C
ATOM 275 CD2 TYR A 17 -3.072 27.910 -1.046 1.00 1.11 C
ATOM 276 CE1 TYR A 17 -3.703 27.189 -3.633 1.00 71.12 C
ATOM 277 CE2 TYR A 17 -4.372 27.572 -1.368 1.00 30.34 C
ATOM 278 CZ TYR A 17 -4.683 27.212 -2.662 1.00 43.14 C
ATOM 279 OH TYR A 17 -5.977 26.876 -2.987 1.00 61.32 O
ATOM 280 H TYR A 17 1.846 28.913 -2.161 1.00 52.14 H
ATOM 281 HA TYR A 17 -0.757 29.740 -3.193 1.00 34.34 H
ATOM 282 HB2 TYR A 17 -0.005 27.451 -1.955 1.00 5.30 H
ATOM 283 HB3 TYR A 17 -0.590 28.373 -0.575 1.00 0.33 H
ATOM 284 HD1 TYR A 17 -1.636 27.510 -4.060 1.00 42.13 H
ATOM 285 HD2 TYR A 17 -2.825 28.193 -0.033 1.00 31.34 H
ATOM 286 HE1 TYR A 17 -3.947 26.907 -4.647 1.00 21.01 H
ATOM 287 HE2 TYR A 17 -5.139 27.590 -0.608 1.00 13.32 H
ATOM 288 HH TYR A 17 -6.114 27.005 -3.929 1.00 13.04 H
ATOM 289 N SER A 18 0.735 31.083 -0.652 1.00 63.41 N
ATOM 290 CA SER A 18 0.700 32.184 0.303 1.00 23.44 C
ATOM 291 C SER A 18 0.874 33.524 -0.405 1.00 62.53 C
ATOM 292 O SER A 18 0.452 34.565 0.098 1.00 15.14 O
ATOM 293 CB SER A 18 1.794 32.006 1.358 1.00 11.24 C
ATOM 294 OG SER A 18 2.040 33.220 2.047 1.00 43.13 O
ATOM 295 H SER A 18 1.572 30.590 -0.784 1.00 24.21 H
ATOM 296 HA SER A 18 -0.263 32.170 0.790 1.00 34.42 H
ATOM 297 HB2 SER A 18 1.484 31.258 2.072 1.00 11.32 H
ATOM 298 HB3 SER A 18 2.707 31.688 0.876 1.00 31.54 H
ATOM 299 HG SER A 18 1.220 33.547 2.424 1.00 61.32 H
ATOM 300 N LEU A 19 1.499 33.489 -1.577 1.00 22.00 N
ATOM 301 CA LEU A 19 1.730 34.700 -2.357 1.00 20.00 C
ATOM 302 C LEU A 19 0.537 35.003 -3.258 1.00 63.11 C
ATOM 303 O LEU A 19 0.055 36.135 -3.308 1.00 15.14 O
ATOM 304 CB LEU A 19 2.997 34.553 -3.201 1.00 61.32 C
ATOM 305 CG LEU A 19 4.245 35.257 -2.668 1.00 12.44 C
ATOM 306 CD1 LEU A 19 4.009 36.756 -2.566 1.00 12.33 C
ATOM 307 CD2 LEU A 19 4.643 34.685 -1.315 1.00 1.21 C
ATOM 308 H LEU A 19 1.813 32.630 -1.927 1.00 21.52 H
ATOM 309 HA LEU A 19 1.861 35.519 -1.666 1.00 11.22 H
ATOM 310 HB2 LEU A 19 3.221 33.500 -3.281 1.00 12.03 H
ATOM 311 HB3 LEU A 19 2.787 34.950 -4.184 1.00 74.42 H
ATOM 312 HG LEU A 19 5.064 35.095 -3.355 1.00 11.13 H
ATOM 313 HD11 LEU A 19 3.630 37.126 -3.506 1.00 71.35 H
ATOM 314 HD12 LEU A 19 4.940 37.252 -2.333 1.00 15.23 H
ATOM 315 HD13 LEU A 19 3.290 36.955 -1.784 1.00 41.11 H
ATOM 316 HD21 LEU A 19 4.410 35.400 -0.540 1.00 2.14 H
ATOM 317 HD22 LEU A 19 5.704 34.481 -1.309 1.00 21.11 H
ATOM 318 HD23 LEU A 19 4.099 33.770 -1.137 1.00 15.12 H
ATOM 319 N LEU A 20 0.065 33.984 -3.968 1.00 11.12 N
ATOM 320 CA LEU A 20 -1.074 34.140 -4.866 1.00 42.32 C
ATOM 321 C LEU A 20 -2.365 34.342 -4.079 1.00 43.21 C
ATOM 322 O LEU A 20 -3.350 34.859 -4.605 1.00 21.34 O
ATOM 323 CB LEU A 20 -1.203 32.917 -5.775 1.00 33.52 C
ATOM 324 CG LEU A 20 -1.416 33.204 -7.262 1.00 24.14 C
ATOM 325 CD1 LEU A 20 -0.097 33.120 -8.015 1.00 72.10 C
ATOM 326 CD2 LEU A 20 -2.432 32.237 -7.852 1.00 1.22 C
ATOM 327 H LEU A 20 0.491 33.106 -3.886 1.00 60.15 H
ATOM 328 HA LEU A 20 -0.898 35.014 -5.476 1.00 5.14 H
ATOM 329 HB2 LEU A 20 -0.300 32.335 -5.676 1.00 63.25 H
ATOM 330 HB3 LEU A 20 -2.044 32.334 -5.426 1.00 12.11 H
ATOM 331 HG LEU A 20 -1.802 34.208 -7.376 1.00 65.42 H
ATOM 332 HD11 LEU A 20 0.408 34.072 -7.964 1.00 0.44 H
ATOM 333 HD12 LEU A 20 -0.288 32.869 -9.048 1.00 14.01 H
ATOM 334 HD13 LEU A 20 0.524 32.357 -7.569 1.00 2.31 H
ATOM 335 HD21 LEU A 20 -2.260 31.248 -7.454 1.00 62.23 H
ATOM 336 HD22 LEU A 20 -2.326 32.216 -8.927 1.00 15.40 H
ATOM 337 HD23 LEU A 20 -3.429 32.561 -7.593 1.00 41.13 H
ATOM 338 N GLY A 21 -2.351 33.933 -2.814 1.00 61.21 N
ATOM 339 CA GLY A 21 -3.525 34.079 -1.974 1.00 53.21 C
ATOM 340 C GLY A 21 -3.717 35.502 -1.488 1.00 44.21 C
ATOM 341 O GLY A 21 -4.846 35.953 -1.291 1.00 71.54 O
ATOM 342 H GLY A 21 -1.537 33.528 -2.448 1.00 64.13 H
ATOM 343 HA2 GLY A 21 -4.397 33.782 -2.538 1.00 21.02 H
ATOM 344 HA3 GLY A 21 -3.424 33.429 -1.117 1.00 51.23 H
ATOM 345 N LEU A 22 -2.611 36.212 -1.292 1.00 12.21 N
ATOM 346 CA LEU A 22 -2.662 37.593 -0.824 1.00 23.03 C
ATOM 347 C LEU A 22 -2.505 38.568 -1.986 1.00 44.10 C
ATOM 348 O LEU A 22 -3.011 39.690 -1.943 1.00 20.42 O
ATOM 349 CB LEU A 22 -1.567 37.840 0.216 1.00 51.12 C
ATOM 350 CG LEU A 22 -1.963 38.700 1.416 1.00 15.14 C
ATOM 351 CD1 LEU A 22 -0.905 38.616 2.506 1.00 53.55 C
ATOM 352 CD2 LEU A 22 -2.179 40.145 0.990 1.00 73.33 C
ATOM 353 H LEU A 22 -1.740 35.799 -1.466 1.00 10.43 H
ATOM 354 HA LEU A 22 -3.626 37.752 -0.364 1.00 62.21 H
ATOM 355 HB2 LEU A 22 -1.243 36.881 0.589 1.00 30.11 H
ATOM 356 HB3 LEU A 22 -0.742 38.328 -0.284 1.00 22.43 H
ATOM 357 HG LEU A 22 -2.893 38.329 1.826 1.00 60.01 H
ATOM 358 HD11 LEU A 22 -1.337 38.909 3.450 1.00 13.43 H
ATOM 359 HD12 LEU A 22 -0.087 39.278 2.263 1.00 24.14 H
ATOM 360 HD13 LEU A 22 -0.540 37.602 2.575 1.00 43.31 H
ATOM 361 HD21 LEU A 22 -3.106 40.223 0.440 1.00 22.43 H
ATOM 362 HD22 LEU A 22 -1.360 40.460 0.360 1.00 41.12 H
ATOM 363 HD23 LEU A 22 -2.225 40.776 1.865 1.00 70.52 H
ATOM 364 N LYS A 23 -1.801 38.133 -3.026 1.00 32.22 N
ATOM 365 CA LYS A 23 -1.580 38.965 -4.203 1.00 24.35 C
ATOM 366 C LYS A 23 -2.810 38.972 -5.104 1.00 34.35 C
ATOM 367 O LYS A 23 -2.943 39.824 -5.982 1.00 73.11 O
ATOM 368 CB LYS A 23 -0.364 38.463 -4.986 1.00 11.25 C
ATOM 369 CG LYS A 23 0.958 38.709 -4.280 1.00 0.35 C
ATOM 370 CD LYS A 23 1.689 39.905 -4.866 1.00 43.11 C
ATOM 371 CE LYS A 23 1.272 41.201 -4.188 1.00 5.04 C
ATOM 372 NZ LYS A 23 2.379 42.198 -4.168 1.00 72.32 N
ATOM 373 H LYS A 23 -1.422 37.229 -3.001 1.00 73.45 H
ATOM 374 HA LYS A 23 -1.389 39.972 -3.865 1.00 53.44 H
ATOM 375 HB2 LYS A 23 -0.469 37.401 -5.148 1.00 72.34 H
ATOM 376 HB3 LYS A 23 -0.336 38.964 -5.943 1.00 2.35 H
ATOM 377 HG2 LYS A 23 0.768 38.895 -3.233 1.00 11.31 H
ATOM 378 HG3 LYS A 23 1.580 37.832 -4.384 1.00 21.41 H
ATOM 379 HD2 LYS A 23 2.752 39.768 -4.732 1.00 70.31 H
ATOM 380 HD3 LYS A 23 1.463 39.972 -5.921 1.00 43.20 H
ATOM 381 HE2 LYS A 23 0.433 41.618 -4.722 1.00 41.23 H
ATOM 382 HE3 LYS A 23 0.979 40.982 -3.172 1.00 30.34 H
ATOM 383 HZ1 LYS A 23 2.573 42.534 -5.133 1.00 65.32 H
ATOM 384 HZ2 LYS A 23 3.243 41.765 -3.783 1.00 54.33 H
ATOM 385 HZ3 LYS A 23 2.117 43.011 -3.575 1.00 61.14 H
ATOM 386 N ASP A 24 -3.708 38.018 -4.879 1.00 2.42 N
ATOM 387 CA ASP A 24 -4.929 37.917 -5.669 1.00 33.42 C
ATOM 388 C ASP A 24 -6.153 38.252 -4.822 1.00 74.34 C
ATOM 389 O ASP A 24 -7.178 38.690 -5.344 1.00 14.03 O
ATOM 390 CB ASP A 24 -5.068 36.510 -6.254 1.00 1.30 C
ATOM 391 CG ASP A 24 -5.888 36.492 -7.529 1.00 33.13 C
ATOM 392 OD1 ASP A 24 -5.393 35.964 -8.546 1.00 64.52 O
ATOM 393 OD2 ASP A 24 -7.026 37.005 -7.509 1.00 14.03 O
ATOM 394 H ASP A 24 -3.545 37.368 -4.164 1.00 32.13 H
ATOM 395 HA ASP A 24 -4.861 38.628 -6.478 1.00 33.01 H
ATOM 396 HB2 ASP A 24 -4.085 36.121 -6.475 1.00 63.04 H
ATOM 397 HB3 ASP A 24 -5.549 35.871 -5.528 1.00 44.21 H
ATOM 398 N GLN A 25 -6.038 38.041 -3.515 1.00 53.01 N
ATOM 399 CA GLN A 25 -7.137 38.319 -2.597 1.00 43.24 C
ATOM 400 C GLN A 25 -6.786 39.472 -1.662 1.00 72.04 C
ATOM 401 O GLN A 25 -7.329 39.580 -0.563 1.00 0.13 O
ATOM 402 CB GLN A 25 -7.476 37.071 -1.782 1.00 35.52 C
ATOM 403 CG GLN A 25 -8.959 36.736 -1.770 1.00 54.41 C
ATOM 404 CD GLN A 25 -9.287 35.567 -0.863 1.00 21.13 C
ATOM 405 OE1 GLN A 25 -9.574 35.746 0.321 1.00 2.23 O
ATOM 406 NE2 GLN A 25 -9.246 34.360 -1.414 1.00 71.34 N
ATOM 407 H GLN A 25 -5.196 37.690 -3.160 1.00 2.11 H
ATOM 408 HA GLN A 25 -7.997 38.599 -3.186 1.00 34.31 H
ATOM 409 HB2 GLN A 25 -6.943 36.228 -2.196 1.00 4.32 H
ATOM 410 HB3 GLN A 25 -7.156 37.223 -0.762 1.00 12.43 H
ATOM 411 HG2 GLN A 25 -9.508 37.602 -1.428 1.00 22.50 H
ATOM 412 HG3 GLN A 25 -9.268 36.491 -2.776 1.00 24.34 H
ATOM 413 HE21 GLN A 25 -9.009 34.293 -2.363 1.00 65.24 H
ATOM 414 HE22 GLN A 25 -9.453 33.586 -0.851 1.00 5.10 H
ATOM 415 N VAL A 26 -5.875 40.332 -2.107 1.00 23.44 N
ATOM 416 CA VAL A 26 -5.452 41.477 -1.310 1.00 1.21 C
ATOM 417 C VAL A 26 -6.652 42.284 -0.828 1.00 51.51 C
ATOM 418 O VAL A 26 -6.579 42.896 0.237 1.00 63.42 O
ATOM 419 CB VAL A 26 -4.513 42.401 -2.109 1.00 32.32 C
ATOM 420 CG1 VAL A 26 -5.262 43.059 -3.257 1.00 70.05 C
ATOM 421 CG2 VAL A 26 -3.893 43.448 -1.196 1.00 71.21 C
ATOM 422 H VAL A 26 -5.478 40.192 -2.992 1.00 2.44 H
ATOM 423 HA VAL A 26 -4.912 41.106 -0.451 1.00 61.41 H
ATOM 424 HB VAL A 26 -3.718 41.799 -2.524 1.00 41.54 H
ATOM 425 HG11 VAL A 26 -5.668 42.296 -3.906 1.00 13.42 H
ATOM 426 HG12 VAL A 26 -6.065 43.664 -2.864 1.00 54.40 H
ATOM 427 HG13 VAL A 26 -4.582 43.683 -3.819 1.00 74.02 H
ATOM 428 HG21 VAL A 26 -3.871 43.074 -0.183 1.00 72.13 H
ATOM 429 HG22 VAL A 26 -2.885 43.660 -1.523 1.00 73.21 H
ATOM 430 HG23 VAL A 26 -4.481 44.353 -1.234 1.00 31.42 H
HETATM 431 N NH2 A 27 -7.720 42.270 -1.613 1.00 24.31 N
HETATM 432 HN1 NH2 A 27 -7.705 41.749 -2.466 1.00 75.43 H
HETATM 433 HN2 NH2 A 27 -8.539 42.780 -1.352 1.00 32.42 H
TER 434 NH2 A 27
ENDMDL
MODEL 2
HETATM 1 C ACE A 1 8.432 1.726 -5.279 1.00 14.31 C
HETATM 2 O ACE A 1 9.069 2.767 -5.443 1.00 24.33 O
HETATM 3 CH3 ACE A 1 9.084 0.459 -4.845 1.00 33.22 C
HETATM 4 H1 ACE A 1 8.411 -0.378 -5.032 1.00 64.53 H
HETATM 5 H2 ACE A 1 10.008 0.315 -5.405 1.00 13.22 H
HETATM 6 H3 ACE A 1 9.309 0.512 -3.780 1.00 11.44 H
ATOM 7 N LYS A 2 7.120 1.645 -5.473 1.00 52.13 N
ATOM 8 CA LYS A 2 6.336 2.799 -5.898 1.00 71.33 C
ATOM 9 C LYS A 2 4.924 2.739 -5.324 1.00 22.14 C
ATOM 10 O LYS A 2 3.943 2.923 -6.043 1.00 54.25 O
ATOM 11 CB LYS A 2 6.274 2.864 -7.426 1.00 53.20 C
ATOM 12 CG LYS A 2 6.265 4.281 -7.974 1.00 63.43 C
ATOM 13 CD LYS A 2 7.628 4.940 -7.837 1.00 73.45 C
ATOM 14 CE LYS A 2 7.574 6.142 -6.908 1.00 23.05 C
ATOM 15 NZ LYS A 2 8.815 6.270 -6.094 1.00 62.32 N
ATOM 16 H LYS A 2 6.667 0.788 -5.326 1.00 62.43 H
ATOM 17 HA LYS A 2 6.825 3.687 -5.528 1.00 60.20 H
ATOM 18 HB2 LYS A 2 7.131 2.348 -7.832 1.00 5.33 H
ATOM 19 HB3 LYS A 2 5.374 2.366 -7.759 1.00 43.43 H
ATOM 20 HG2 LYS A 2 5.995 4.251 -9.019 1.00 62.04 H
ATOM 21 HG3 LYS A 2 5.537 4.864 -7.429 1.00 30.33 H
ATOM 22 HD2 LYS A 2 8.327 4.221 -7.438 1.00 24.32 H
ATOM 23 HD3 LYS A 2 7.960 5.264 -8.813 1.00 43.43 H
ATOM 24 HE2 LYS A 2 7.450 7.035 -7.501 1.00 70.52 H
ATOM 25 HE3 LYS A 2 6.729 6.030 -6.244 1.00 42.24 H
ATOM 26 HZ1 LYS A 2 8.573 6.429 -5.095 1.00 55.45 H
ATOM 27 HZ2 LYS A 2 9.384 7.072 -6.433 1.00 73.53 H
ATOM 28 HZ3 LYS A 2 9.382 5.401 -6.168 1.00 31.13 H
ATOM 29 N ARG A 3 4.830 2.482 -4.023 1.00 70.42 N
ATOM 30 CA ARG A 3 3.538 2.398 -3.353 1.00 2.15 C
ATOM 31 C ARG A 3 3.333 3.587 -2.418 1.00 71.21 C
ATOM 32 O ARG A 3 2.481 3.551 -1.530 1.00 74.31 O
ATOM 33 CB ARG A 3 3.433 1.092 -2.564 1.00 34.52 C
ATOM 34 CG ARG A 3 2.171 0.299 -2.865 1.00 23.42 C
ATOM 35 CD ARG A 3 0.926 1.035 -2.397 1.00 74.04 C
ATOM 36 NE ARG A 3 -0.294 0.282 -2.679 1.00 65.15 N
ATOM 37 CZ ARG A 3 -0.680 -0.779 -1.980 1.00 34.01 C
ATOM 38 NH1 ARG A 3 0.052 -1.209 -0.962 1.00 63.31 N
ATOM 39 NH2 ARG A 3 -1.803 -1.412 -2.298 1.00 3.52 N
ATOM 40 H ARG A 3 5.649 2.344 -3.502 1.00 73.23 H
ATOM 41 HA ARG A 3 2.769 2.414 -4.110 1.00 62.12 H
ATOM 42 HB2 ARG A 3 4.285 0.472 -2.800 1.00 5.03 H
ATOM 43 HB3 ARG A 3 3.445 1.320 -1.509 1.00 11.22 H
ATOM 44 HG2 ARG A 3 2.103 0.139 -3.931 1.00 10.41 H
ATOM 45 HG3 ARG A 3 2.227 -0.654 -2.359 1.00 42.13 H
ATOM 46 HD2 ARG A 3 0.998 1.198 -1.332 1.00 62.15 H
ATOM 47 HD3 ARG A 3 0.875 1.987 -2.904 1.00 63.04 H
ATOM 48 HE ARG A 3 -0.850 0.583 -3.427 1.00 61.34 H
ATOM 49 HH11 ARG A 3 -0.242 -2.008 -0.436 1.00 41.32 H
ATOM 50 HH12 ARG A 3 0.898 -0.734 -0.720 1.00 11.02 H
ATOM 51 HH21 ARG A 3 -2.093 -2.210 -1.771 1.00 1.20 H
ATOM 52 HH22 ARG A 3 -2.358 -1.090 -3.064 1.00 42.13 H
ATOM 53 N ILE A 4 4.119 4.638 -2.624 1.00 64.44 N
ATOM 54 CA ILE A 4 4.023 5.837 -1.801 1.00 62.41 C
ATOM 55 C ILE A 4 4.048 7.096 -2.660 1.00 14.52 C
ATOM 56 O ILE A 4 5.109 7.550 -3.085 1.00 1.42 O
ATOM 57 CB ILE A 4 5.168 5.907 -0.773 1.00 41.14 C
ATOM 58 CG1 ILE A 4 5.300 4.575 -0.032 1.00 50.20 C
ATOM 59 CG2 ILE A 4 4.929 7.045 0.208 1.00 24.42 C
ATOM 60 CD1 ILE A 4 4.089 4.227 0.804 1.00 35.40 C
ATOM 61 H ILE A 4 4.779 4.606 -3.348 1.00 4.12 H
ATOM 62 HA ILE A 4 3.086 5.798 -1.264 1.00 63.43 H
ATOM 63 HB ILE A 4 6.086 6.108 -1.304 1.00 3.22 H
ATOM 64 HG12 ILE A 4 5.446 3.784 -0.750 1.00 32.42 H
ATOM 65 HG13 ILE A 4 6.156 4.621 0.626 1.00 40.33 H
ATOM 66 HG21 ILE A 4 5.586 6.930 1.058 1.00 12.22 H
ATOM 67 HG22 ILE A 4 5.132 7.987 -0.278 1.00 1.24 H
ATOM 68 HG23 ILE A 4 3.903 7.024 0.541 1.00 74.11 H
ATOM 69 HD11 ILE A 4 3.672 3.290 0.462 1.00 1.45 H
ATOM 70 HD12 ILE A 4 4.379 4.136 1.840 1.00 41.13 H
ATOM 71 HD13 ILE A 4 3.347 5.006 0.705 1.00 12.44 H
ATOM 72 N GLY A 5 2.869 7.659 -2.910 1.00 72.41 N
ATOM 73 CA GLY A 5 2.777 8.862 -3.716 1.00 10.35 C
ATOM 74 C GLY A 5 2.463 10.092 -2.887 1.00 22.04 C
ATOM 75 O GLY A 5 2.226 11.171 -3.429 1.00 14.30 O
ATOM 76 H GLY A 5 2.055 7.252 -2.545 1.00 11.41 H
ATOM 77 HA2 GLY A 5 3.717 9.014 -4.225 1.00 10.23 H
ATOM 78 HA3 GLY A 5 1.998 8.730 -4.452 1.00 15.43 H
ATOM 79 N VAL A 6 2.460 9.930 -1.567 1.00 64.53 N
ATOM 80 CA VAL A 6 2.173 11.035 -0.661 1.00 53.25 C
ATOM 81 C VAL A 6 3.456 11.615 -0.077 1.00 51.11 C
ATOM 82 O VAL A 6 3.442 12.228 0.990 1.00 1.42 O
ATOM 83 CB VAL A 6 1.251 10.592 0.491 1.00 64.15 C
ATOM 84 CG1 VAL A 6 2.023 9.754 1.499 1.00 13.20 C
ATOM 85 CG2 VAL A 6 0.619 11.802 1.162 1.00 23.42 C
ATOM 86 H VAL A 6 2.657 9.045 -1.194 1.00 44.12 H
ATOM 87 HA VAL A 6 1.665 11.805 -1.225 1.00 20.13 H
ATOM 88 HB VAL A 6 0.461 9.982 0.078 1.00 24.42 H
ATOM 89 HG11 VAL A 6 2.907 9.350 1.029 1.00 4.11 H
ATOM 90 HG12 VAL A 6 2.309 10.372 2.337 1.00 10.52 H
ATOM 91 HG13 VAL A 6 1.398 8.944 1.846 1.00 63.23 H
ATOM 92 HG21 VAL A 6 0.767 12.674 0.543 1.00 34.12 H
ATOM 93 HG22 VAL A 6 -0.439 11.629 1.294 1.00 31.42 H
ATOM 94 HG23 VAL A 6 1.080 11.961 2.126 1.00 63.15 H
ATOM 95 N ARG A 7 4.564 11.417 -0.784 1.00 53.20 N
ATOM 96 CA ARG A 7 5.856 11.920 -0.335 1.00 65.11 C
ATOM 97 C ARG A 7 6.236 13.193 -1.087 1.00 34.35 C
ATOM 98 O ARG A 7 7.402 13.404 -1.422 1.00 53.33 O
ATOM 99 CB ARG A 7 6.938 10.856 -0.534 1.00 1.45 C
ATOM 100 CG ARG A 7 6.930 9.773 0.532 1.00 32.05 C
ATOM 101 CD ARG A 7 7.901 10.092 1.659 1.00 55.14 C
ATOM 102 NE ARG A 7 8.806 8.980 1.932 1.00 22.44 N
ATOM 103 CZ ARG A 7 9.522 8.872 3.046 1.00 64.11 C
ATOM 104 NH1 ARG A 7 9.438 9.804 3.985 1.00 45.22 N
ATOM 105 NH2 ARG A 7 10.324 7.830 3.222 1.00 24.42 N
ATOM 106 H ARG A 7 4.511 10.920 -1.627 1.00 52.53 H
ATOM 107 HA ARG A 7 5.777 12.148 0.717 1.00 32.53 H
ATOM 108 HB2 ARG A 7 6.792 10.386 -1.495 1.00 31.33 H
ATOM 109 HB3 ARG A 7 7.905 11.337 -0.520 1.00 73.23 H
ATOM 110 HG2 ARG A 7 5.934 9.692 0.943 1.00 40.12 H
ATOM 111 HG3 ARG A 7 7.212 8.834 0.080 1.00 4.12 H
ATOM 112 HD2 ARG A 7 8.483 10.957 1.380 1.00 41.45 H
ATOM 113 HD3 ARG A 7 7.335 10.312 2.552 1.00 52.14 H
ATOM 114 HE ARG A 7 8.883 8.279 1.252 1.00 45.32 H
ATOM 115 HH11 ARG A 7 9.978 9.720 4.823 1.00 50.10 H
ATOM 116 HH12 ARG A 7 8.834 10.590 3.855 1.00 2.22 H
ATOM 117 HH21 ARG A 7 10.863 7.749 4.060 1.00 0.52 H
ATOM 118 HH22 ARG A 7 10.390 7.125 2.517 1.00 61.44 H
ATOM 119 N LEU A 8 5.244 14.037 -1.348 1.00 33.22 N
ATOM 120 CA LEU A 8 5.472 15.289 -2.060 1.00 44.12 C
ATOM 121 C LEU A 8 5.774 16.423 -1.085 1.00 62.24 C
ATOM 122 O LEU A 8 5.479 16.344 0.107 1.00 15.22 O
ATOM 123 CB LEU A 8 4.252 15.645 -2.912 1.00 23.53 C
ATOM 124 CG LEU A 8 4.240 15.083 -4.334 1.00 51.30 C
ATOM 125 CD1 LEU A 8 3.366 13.841 -4.410 1.00 63.20 C
ATOM 126 CD2 LEU A 8 3.757 16.138 -5.319 1.00 64.13 C
ATOM 127 H LEU A 8 4.336 13.814 -1.055 1.00 72.32 H
ATOM 128 HA LEU A 8 6.325 15.151 -2.708 1.00 23.31 H
ATOM 129 HB2 LEU A 8 3.375 15.275 -2.403 1.00 63.00 H
ATOM 130 HB3 LEU A 8 4.200 16.722 -2.979 1.00 71.04 H
ATOM 131 HG LEU A 8 5.246 14.801 -4.611 1.00 61.45 H
ATOM 132 HD11 LEU A 8 2.418 14.095 -4.859 1.00 20.51 H
ATOM 133 HD12 LEU A 8 3.202 13.455 -3.415 1.00 11.12 H
ATOM 134 HD13 LEU A 8 3.860 13.090 -5.010 1.00 10.04 H
ATOM 135 HD21 LEU A 8 3.570 15.676 -6.277 1.00 64.14 H
ATOM 136 HD22 LEU A 8 4.515 16.901 -5.429 1.00 74.24 H
ATOM 137 HD23 LEU A 8 2.846 16.585 -4.951 1.00 22.34 H
ATOM 138 N PRO A 9 6.375 17.504 -1.603 1.00 43.41 N
ATOM 139 CA PRO A 9 6.728 18.676 -0.796 1.00 54.52 C
ATOM 140 C PRO A 9 5.499 19.456 -0.340 1.00 4.52 C
ATOM 141 O PRO A 9 4.473 19.469 -1.017 1.00 74.52 O
ATOM 142 CB PRO A 9 7.574 19.523 -1.750 1.00 62.54 C
ATOM 143 CG PRO A 9 7.124 19.122 -3.113 1.00 23.52 C
ATOM 144 CD PRO A 9 6.757 17.667 -3.016 1.00 72.40 C
ATOM 145 HA PRO A 9 7.319 18.402 0.065 1.00 31.12 H
ATOM 146 HB2 PRO A 9 7.390 20.571 -1.565 1.00 51.53 H
ATOM 147 HB3 PRO A 9 8.620 19.303 -1.600 1.00 5.11 H
ATOM 148 HG2 PRO A 9 6.265 19.707 -3.403 1.00 21.21 H
ATOM 149 HG3 PRO A 9 7.929 19.258 -3.820 1.00 2.12 H
ATOM 150 HD2 PRO A 9 5.925 17.443 -3.668 1.00 44.21 H
ATOM 151 HD3 PRO A 9 7.607 17.046 -3.259 1.00 34.21 H
ATOM 152 N GLY A 10 5.612 20.108 0.814 1.00 65.21 N
ATOM 153 CA GLY A 10 4.504 20.882 1.341 1.00 74.24 C
ATOM 154 C GLY A 10 4.935 22.245 1.842 1.00 0.55 C
ATOM 155 O GLY A 10 4.190 22.916 2.559 1.00 65.32 O
ATOM 156 H GLY A 10 6.456 20.062 1.311 1.00 12.35 H
ATOM 157 HA2 GLY A 10 3.768 21.013 0.561 1.00 32.42 H
ATOM 158 HA3 GLY A 10 4.055 20.336 2.158 1.00 53.14 H
ATOM 159 N HIS A 11 6.142 22.658 1.468 1.00 71.33 N
ATOM 160 CA HIS A 11 6.672 23.951 1.886 1.00 61.33 C
ATOM 161 C HIS A 11 6.507 24.989 0.780 1.00 60.21 C
ATOM 162 O HIS A 11 6.499 26.191 1.042 1.00 40.23 O
ATOM 163 CB HIS A 11 8.148 23.822 2.264 1.00 12.24 C
ATOM 164 CG HIS A 11 8.397 23.899 3.739 1.00 14.33 C
ATOM 165 ND1 HIS A 11 9.148 24.897 4.325 1.00 73.52 N
ATOM 166 CD2 HIS A 11 7.987 23.096 4.749 1.00 4.43 C
ATOM 167 CE1 HIS A 11 9.191 24.703 5.631 1.00 62.22 C
ATOM 168 NE2 HIS A 11 8.495 23.617 5.914 1.00 15.14 N
ATOM 169 H HIS A 11 6.688 22.079 0.896 1.00 24.05 H
ATOM 170 HA HIS A 11 6.114 24.274 2.751 1.00 22.45 H
ATOM 171 HB2 HIS A 11 8.521 22.871 1.915 1.00 72.30 H
ATOM 172 HB3 HIS A 11 8.705 24.618 1.791 1.00 21.20 H
ATOM 173 HD1 HIS A 11 9.585 25.635 3.853 1.00 42.20 H
ATOM 174 HD2 HIS A 11 7.376 22.210 4.657 1.00 74.11 H
ATOM 175 HE1 HIS A 11 9.708 25.326 6.346 1.00 73.34 H
ATOM 176 N GLN A 12 6.377 24.515 -0.455 1.00 55.11 N
ATOM 177 CA GLN A 12 6.213 25.403 -1.600 1.00 43.20 C
ATOM 178 C GLN A 12 4.766 25.866 -1.728 1.00 12.00 C
ATOM 179 O GLN A 12 4.493 26.955 -2.234 1.00 61.44 O
ATOM 180 CB GLN A 12 6.651 24.699 -2.885 1.00 64.32 C
ATOM 181 CG GLN A 12 8.122 24.896 -3.216 1.00 70.11 C
ATOM 182 CD GLN A 12 9.028 23.982 -2.414 1.00 42.45 C
ATOM 183 OE1 GLN A 12 9.665 24.410 -1.451 1.00 42.24 O
ATOM 184 NE2 GLN A 12 9.091 22.716 -2.808 1.00 73.23 N
ATOM 185 H GLN A 12 6.391 23.547 -0.600 1.00 32.44 H
ATOM 186 HA GLN A 12 6.841 26.267 -1.442 1.00 25.42 H
ATOM 187 HB2 GLN A 12 6.466 23.640 -2.782 1.00 63.13 H
ATOM 188 HB3 GLN A 12 6.066 25.080 -3.708 1.00 55.23 H
ATOM 189 HG2 GLN A 12 8.272 24.694 -4.266 1.00 52.04 H
ATOM 190 HG3 GLN A 12 8.390 25.921 -3.006 1.00 25.42 H
ATOM 191 HE21 GLN A 12 8.556 22.446 -3.585 1.00 42.20 H
ATOM 192 HE22 GLN A 12 9.669 22.104 -2.309 1.00 21.21 H
ATOM 193 N LYS A 13 3.840 25.032 -1.266 1.00 2.10 N
ATOM 194 CA LYS A 13 2.420 25.355 -1.327 1.00 73.03 C
ATOM 195 C LYS A 13 2.124 26.653 -0.583 1.00 42.54 C
ATOM 196 O LYS A 13 1.325 27.472 -1.038 1.00 34.12 O
ATOM 197 CB LYS A 13 1.590 24.214 -0.733 1.00 43.41 C
ATOM 198 CG LYS A 13 2.040 23.795 0.656 1.00 72.12 C
ATOM 199 CD LYS A 13 1.178 22.671 1.205 1.00 35.12 C
ATOM 200 CE LYS A 13 -0.061 23.210 1.905 1.00 70.52 C
ATOM 201 NZ LYS A 13 -1.118 22.169 2.040 1.00 52.53 N
ATOM 202 H LYS A 13 4.120 24.178 -0.873 1.00 12.20 H
ATOM 203 HA LYS A 13 2.152 25.480 -2.366 1.00 4.14 H
ATOM 204 HB2 LYS A 13 0.558 24.528 -0.676 1.00 23.24 H
ATOM 205 HB3 LYS A 13 1.661 23.356 -1.386 1.00 11.11 H
ATOM 206 HG2 LYS A 13 3.064 23.457 0.606 1.00 21.21 H
ATOM 207 HG3 LYS A 13 1.971 24.646 1.319 1.00 64.14 H
ATOM 208 HD2 LYS A 13 0.868 22.034 0.390 1.00 40.44 H
ATOM 209 HD3 LYS A 13 1.759 22.096 1.912 1.00 34.05 H
ATOM 210 HE2 LYS A 13 0.219 23.556 2.888 1.00 73.22 H
ATOM 211 HE3 LYS A 13 -0.452 24.036 1.330 1.00 71.01 H
ATOM 212 HZ1 LYS A 13 -0.755 21.248 1.722 1.00 21.14 H
ATOM 213 HZ2 LYS A 13 -1.944 22.422 1.460 1.00 62.21 H
ATOM 214 HZ3 LYS A 13 -1.417 22.090 3.033 1.00 65.54 H
ATOM 215 N ARG A 14 2.775 26.836 0.561 1.00 63.03 N
ATOM 216 CA ARG A 14 2.582 28.035 1.367 1.00 41.32 C
ATOM 217 C ARG A 14 2.948 29.287 0.575 1.00 54.42 C
ATOM 218 O ARG A 14 2.507 30.390 0.901 1.00 42.24 O
ATOM 219 CB ARG A 14 3.425 27.961 2.641 1.00 65.41 C
ATOM 220 CG ARG A 14 3.345 29.213 3.499 1.00 61.32 C
ATOM 221 CD ARG A 14 4.631 30.022 3.425 1.00 34.22 C
ATOM 222 NE ARG A 14 4.372 31.440 3.192 1.00 0.11 N
ATOM 223 CZ ARG A 14 3.831 32.247 4.098 1.00 54.02 C
ATOM 224 NH1 ARG A 14 3.493 31.778 5.291 1.00 72.21 N
ATOM 225 NH2 ARG A 14 3.627 33.526 3.811 1.00 55.41 N
ATOM 226 H ARG A 14 3.400 26.147 0.871 1.00 40.43 H
ATOM 227 HA ARG A 14 1.539 28.088 1.639 1.00 74.31 H
ATOM 228 HB2 ARG A 14 3.088 27.123 3.234 1.00 62.25 H
ATOM 229 HB3 ARG A 14 4.458 27.804 2.366 1.00 13.40 H
ATOM 230 HG2 ARG A 14 2.527 29.825 3.150 1.00 40.34 H
ATOM 231 HG3 ARG A 14 3.169 28.924 4.524 1.00 5.24 H
ATOM 232 HD2 ARG A 14 5.164 29.912 4.358 1.00 74.42 H
ATOM 233 HD3 ARG A 14 5.236 29.638 2.618 1.00 73.05 H
ATOM 234 HE ARG A 14 4.614 31.808 2.317 1.00 61.30 H
ATOM 235 HH11 ARG A 14 3.086 32.388 5.972 1.00 64.24 H
ATOM 236 HH12 ARG A 14 3.646 30.815 5.510 1.00 24.52 H
ATOM 237 HH21 ARG A 14 3.219 34.133 4.493 1.00 70.31 H
ATOM 238 HH22 ARG A 14 3.880 33.884 2.913 1.00 61.35 H
ATOM 239 N ILE A 15 3.755 29.109 -0.465 1.00 70.42 N
ATOM 240 CA ILE A 15 4.179 30.223 -1.303 1.00 53.42 C
ATOM 241 C ILE A 15 3.157 30.506 -2.399 1.00 41.53 C
ATOM 242 O ILE A 15 2.787 31.656 -2.635 1.00 12.22 O
ATOM 243 CB ILE A 15 5.549 29.951 -1.952 1.00 13.01 C
ATOM 244 CG1 ILE A 15 6.608 29.708 -0.875 1.00 21.10 C
ATOM 245 CG2 ILE A 15 5.952 31.114 -2.846 1.00 71.01 C
ATOM 246 CD1 ILE A 15 6.812 30.888 0.049 1.00 31.34 C
ATOM 247 H ILE A 15 4.073 28.206 -0.674 1.00 74.32 H
ATOM 248 HA ILE A 15 4.268 31.098 -0.674 1.00 71.54 H
ATOM 249 HB ILE A 15 5.462 29.069 -2.567 1.00 72.41 H
ATOM 250 HG12 ILE A 15 6.313 28.863 -0.273 1.00 63.21 H
ATOM 251 HG13 ILE A 15 7.553 29.492 -1.353 1.00 0.34 H
ATOM 252 HG21 ILE A 15 5.428 31.042 -3.788 1.00 65.11 H
ATOM 253 HG22 ILE A 15 5.695 32.045 -2.363 1.00 70.31 H
ATOM 254 HG23 ILE A 15 7.016 31.081 -3.022 1.00 64.03 H
ATOM 255 HD11 ILE A 15 5.919 31.044 0.637 1.00 50.15 H
ATOM 256 HD12 ILE A 15 7.646 30.692 0.706 1.00 70.51 H
ATOM 257 HD13 ILE A 15 7.016 31.773 -0.536 1.00 73.34 H
ATOM 258 N ALA A 16 2.704 29.450 -3.066 1.00 31.45 N
ATOM 259 CA ALA A 16 1.722 29.584 -4.134 1.00 72.22 C
ATOM 260 C ALA A 16 0.383 30.073 -3.591 1.00 62.44 C
ATOM 261 O ALA A 16 -0.428 30.635 -4.327 1.00 70.03 O
ATOM 262 CB ALA A 16 1.547 28.258 -4.860 1.00 31.12 C
ATOM 263 H ALA A 16 3.037 28.558 -2.832 1.00 1.44 H
ATOM 264 HA ALA A 16 2.097 30.307 -4.843 1.00 41.55 H
ATOM 265 HB1 ALA A 16 2.112 28.275 -5.780 1.00 45.02 H
ATOM 266 HB2 ALA A 16 1.903 27.455 -4.232 1.00 65.34 H
ATOM 267 HB3 ALA A 16 0.502 28.105 -5.082 1.00 75.22 H
ATOM 268 N TYR A 17 0.158 29.854 -2.301 1.00 23.03 N
ATOM 269 CA TYR A 17 -1.084 30.270 -1.660 1.00 61.42 C
ATOM 270 C TYR A 17 -0.933 31.647 -1.022 1.00 33.14 C
ATOM 271 O TYR A 17 -1.912 32.372 -0.845 1.00 32.03 O
ATOM 272 CB TYR A 17 -1.503 29.248 -0.602 1.00 74.31 C
ATOM 273 CG TYR A 17 -2.985 28.948 -0.604 1.00 15.35 C
ATOM 274 CD1 TYR A 17 -3.821 29.475 0.373 1.00 14.43 C
ATOM 275 CD2 TYR A 17 -3.550 28.138 -1.581 1.00 23.34 C
ATOM 276 CE1 TYR A 17 -5.176 29.204 0.377 1.00 50.15 C
ATOM 277 CE2 TYR A 17 -4.903 27.862 -1.586 1.00 54.31 C
ATOM 278 CZ TYR A 17 -5.712 28.398 -0.605 1.00 73.54 C
ATOM 279 OH TYR A 17 -7.061 28.124 -0.607 1.00 1.34 O
ATOM 280 H TYR A 17 0.843 29.401 -1.766 1.00 30.12 H
ATOM 281 HA TYR A 17 -1.849 30.320 -2.421 1.00 61.22 H
ATOM 282 HB2 TYR A 17 -0.979 28.322 -0.778 1.00 25.52 H
ATOM 283 HB3 TYR A 17 -1.242 29.624 0.376 1.00 43.41 H
ATOM 284 HD1 TYR A 17 -3.398 30.107 1.141 1.00 35.02 H
ATOM 285 HD2 TYR A 17 -2.913 27.720 -2.347 1.00 71.31 H
ATOM 286 HE1 TYR A 17 -5.810 29.623 1.144 1.00 0.21 H
ATOM 287 HE2 TYR A 17 -5.323 27.230 -2.355 1.00 14.34 H
ATOM 288 HH TYR A 17 -7.234 27.372 -1.178 1.00 15.42 H
ATOM 289 N SER A 18 0.301 32.001 -0.678 1.00 40.03 N
ATOM 290 CA SER A 18 0.582 33.290 -0.056 1.00 75.24 C
ATOM 291 C SER A 18 0.703 34.386 -1.110 1.00 43.41 C
ATOM 292 O SER A 18 0.503 35.567 -0.821 1.00 33.22 O
ATOM 293 CB SER A 18 1.868 33.213 0.767 1.00 4.14 C
ATOM 294 OG SER A 18 2.273 34.500 1.202 1.00 21.31 O
ATOM 295 H SER A 18 1.040 31.379 -0.845 1.00 42.11 H
ATOM 296 HA SER A 18 -0.242 33.527 0.600 1.00 53.40 H
ATOM 297 HB2 SER A 18 1.702 32.590 1.633 1.00 62.22 H
ATOM 298 HB3 SER A 18 2.655 32.786 0.162 1.00 41.41 H
ATOM 299 HG SER A 18 1.498 35.049 1.343 1.00 63.24 H
ATOM 300 N LEU A 19 1.034 33.988 -2.334 1.00 14.14 N
ATOM 301 CA LEU A 19 1.183 34.936 -3.433 1.00 32.15 C
ATOM 302 C LEU A 19 -0.152 35.173 -4.132 1.00 62.22 C
ATOM 303 O LEU A 19 -0.495 36.306 -4.470 1.00 50.45 O
ATOM 304 CB LEU A 19 2.215 34.423 -4.438 1.00 72.42 C
ATOM 305 CG LEU A 19 3.597 35.073 -4.373 1.00 51.50 C
ATOM 306 CD1 LEU A 19 4.251 34.804 -3.027 1.00 20.41 C
ATOM 307 CD2 LEU A 19 4.478 34.569 -5.507 1.00 12.32 C
ATOM 308 H LEU A 19 1.181 33.035 -2.503 1.00 72.41 H
ATOM 309 HA LEU A 19 1.530 35.871 -3.019 1.00 14.04 H
ATOM 310 HB2 LEU A 19 2.340 33.364 -4.272 1.00 21.20 H
ATOM 311 HB3 LEU A 19 1.818 34.585 -5.430 1.00 52.13 H
ATOM 312 HG LEU A 19 3.489 36.144 -4.483 1.00 23.15 H
ATOM 313 HD11 LEU A 19 4.403 33.742 -2.907 1.00 70.30 H
ATOM 314 HD12 LEU A 19 3.611 35.167 -2.237 1.00 3.45 H
ATOM 315 HD13 LEU A 19 5.203 35.312 -2.981 1.00 62.22 H
ATOM 316 HD21 LEU A 19 3.871 34.396 -6.384 1.00 3.44 H
ATOM 317 HD22 LEU A 19 4.953 33.645 -5.210 1.00 12.31 H
ATOM 318 HD23 LEU A 19 5.233 35.307 -5.731 1.00 44.30 H
ATOM 319 N LEU A 20 -0.902 34.097 -4.344 1.00 44.05 N
ATOM 320 CA LEU A 20 -2.201 34.188 -5.002 1.00 23.51 C
ATOM 321 C LEU A 20 -3.273 34.662 -4.026 1.00 42.33 C
ATOM 322 O LEU A 20 -4.431 34.843 -4.400 1.00 42.03 O
ATOM 323 CB LEU A 20 -2.593 32.830 -5.588 1.00 54.30 C
ATOM 324 CG LEU A 20 -3.095 32.843 -7.032 1.00 62.35 C
ATOM 325 CD1 LEU A 20 -1.926 32.915 -8.003 1.00 10.03 C
ATOM 326 CD2 LEU A 20 -3.947 31.613 -7.312 1.00 1.22 C
ATOM 327 H LEU A 20 -0.575 33.221 -4.053 1.00 30.24 H
ATOM 328 HA LEU A 20 -2.117 34.906 -5.804 1.00 1.15 H
ATOM 329 HB2 LEU A 20 -1.727 32.188 -5.545 1.00 10.34 H
ATOM 330 HB3 LEU A 20 -3.377 32.417 -4.968 1.00 43.42 H
ATOM 331 HG LEU A 20 -3.710 33.719 -7.186 1.00 21.21 H
ATOM 332 HD11 LEU A 20 -2.260 32.634 -8.990 1.00 22.31 H
ATOM 333 HD12 LEU A 20 -1.148 32.240 -7.680 1.00 23.44 H
ATOM 334 HD13 LEU A 20 -1.540 33.924 -8.026 1.00 62.43 H
ATOM 335 HD21 LEU A 20 -3.477 31.017 -8.080 1.00 41.22 H
ATOM 336 HD22 LEU A 20 -4.927 31.923 -7.646 1.00 22.34 H
ATOM 337 HD23 LEU A 20 -4.041 31.028 -6.409 1.00 54.12 H
ATOM 338 N GLY A 21 -2.878 34.865 -2.773 1.00 23.51 N
ATOM 339 CA GLY A 21 -3.816 35.319 -1.763 1.00 71.34 C
ATOM 340 C GLY A 21 -3.618 36.778 -1.402 1.00 73.53 C
ATOM 341 O GLY A 21 -4.511 37.412 -0.840 1.00 14.33 O
ATOM 342 H GLY A 21 -1.941 34.704 -2.532 1.00 32.02 H
ATOM 343 HA2 GLY A 21 -4.821 35.183 -2.135 1.00 1.43 H
ATOM 344 HA3 GLY A 21 -3.688 34.719 -0.874 1.00 11.42 H
ATOM 345 N LEU A 22 -2.445 37.311 -1.724 1.00 51.02 N
ATOM 346 CA LEU A 22 -2.132 38.705 -1.429 1.00 25.22 C
ATOM 347 C LEU A 22 -1.919 39.499 -2.713 1.00 41.24 C
ATOM 348 O LEU A 22 -2.093 40.718 -2.739 1.00 72.20 O
ATOM 349 CB LEU A 22 -0.883 38.792 -0.549 1.00 70.12 C
ATOM 350 CG LEU A 22 -0.976 39.727 0.657 1.00 22.32 C
ATOM 351 CD1 LEU A 22 -0.031 39.272 1.759 1.00 70.12 C
ATOM 352 CD2 LEU A 22 -0.669 41.159 0.247 1.00 43.54 C
ATOM 353 H LEU A 22 -1.773 36.756 -2.171 1.00 72.31 H
ATOM 354 HA LEU A 22 -2.969 39.126 -0.894 1.00 12.55 H
ATOM 355 HB2 LEU A 22 -0.667 37.800 -0.183 1.00 0.11 H
ATOM 356 HB3 LEU A 22 -0.065 39.131 -1.170 1.00 34.33 H
ATOM 357 HG LEU A 22 -1.983 39.699 1.050 1.00 71.14 H
ATOM 358 HD11 LEU A 22 0.971 39.198 1.365 1.00 24.24 H
ATOM 359 HD12 LEU A 22 -0.346 38.307 2.127 1.00 63.41 H
ATOM 360 HD13 LEU A 22 -0.049 39.988 2.567 1.00 14.41 H
ATOM 361 HD21 LEU A 22 -0.624 41.223 -0.831 1.00 32.13 H
ATOM 362 HD22 LEU A 22 0.282 41.458 0.664 1.00 22.41 H
ATOM 363 HD23 LEU A 22 -1.445 41.814 0.614 1.00 31.54 H
ATOM 364 N LYS A 23 -1.543 38.801 -3.779 1.00 71.24 N
ATOM 365 CA LYS A 23 -1.310 39.439 -5.070 1.00 22.14 C
ATOM 366 C LYS A 23 -2.505 39.244 -5.997 1.00 61.31 C
ATOM 367 O LYS A 23 -2.499 39.705 -7.138 1.00 42.34 O
ATOM 368 CB LYS A 23 -0.047 38.871 -5.721 1.00 42.54 C
ATOM 369 CG LYS A 23 0.586 39.807 -6.737 1.00 23.12 C
ATOM 370 CD LYS A 23 1.513 40.810 -6.070 1.00 35.25 C
ATOM 371 CE LYS A 23 0.876 42.189 -5.990 1.00 42.11 C
ATOM 372 NZ LYS A 23 1.071 42.963 -7.247 1.00 70.04 N
ATOM 373 H LYS A 23 -1.420 37.831 -3.697 1.00 14.34 H
ATOM 374 HA LYS A 23 -1.172 40.495 -4.897 1.00 51.50 H
ATOM 375 HB2 LYS A 23 0.681 38.666 -4.950 1.00 75.40 H
ATOM 376 HB3 LYS A 23 -0.299 37.948 -6.222 1.00 63.24 H
ATOM 377 HG2 LYS A 23 1.156 39.223 -7.445 1.00 13.22 H
ATOM 378 HG3 LYS A 23 -0.196 40.343 -7.256 1.00 21.33 H
ATOM 379 HD2 LYS A 23 1.736 40.471 -5.069 1.00 35.32 H
ATOM 380 HD3 LYS A 23 2.428 40.877 -6.641 1.00 55.30 H
ATOM 381 HE2 LYS A 23 -0.181 42.073 -5.809 1.00 13.40 H
ATOM 382 HE3 LYS A 23 1.325 42.731 -5.171 1.00 14.15 H
ATOM 383 HZ1 LYS A 23 0.150 43.182 -7.678 1.00 71.53 H
ATOM 384 HZ2 LYS A 23 1.635 42.410 -7.924 1.00 34.22 H
ATOM 385 HZ3 LYS A 23 1.568 43.854 -7.045 1.00 55.05 H
ATOM 386 N ASP A 24 -3.529 38.559 -5.499 1.00 65.23 N
ATOM 387 CA ASP A 24 -4.732 38.305 -6.283 1.00 10.11 C
ATOM 388 C ASP A 24 -5.958 38.914 -5.609 1.00 24.11 C
ATOM 389 O ASP A 24 -6.900 39.335 -6.279 1.00 11.33 O
ATOM 390 CB ASP A 24 -4.934 36.801 -6.474 1.00 51.12 C
ATOM 391 CG ASP A 24 -5.388 36.452 -7.878 1.00 34.13 C
ATOM 392 OD1 ASP A 24 -6.582 36.658 -8.184 1.00 23.20 O
ATOM 393 OD2 ASP A 24 -4.551 35.974 -8.670 1.00 65.43 O
ATOM 394 H ASP A 24 -3.474 38.216 -4.582 1.00 42.24 H
ATOM 395 HA ASP A 24 -4.602 38.767 -7.250 1.00 2.23 H
ATOM 396 HB2 ASP A 24 -4.001 36.292 -6.281 1.00 33.52 H
ATOM 397 HB3 ASP A 24 -5.681 36.453 -5.776 1.00 11.30 H
ATOM 398 N GLN A 25 -5.937 38.955 -4.281 1.00 1.24 N
ATOM 399 CA GLN A 25 -7.048 39.511 -3.517 1.00 23.24 C
ATOM 400 C GLN A 25 -6.826 40.993 -3.234 1.00 14.01 C
ATOM 401 O GLN A 25 -7.733 41.691 -2.779 1.00 41.02 O
ATOM 402 CB GLN A 25 -7.221 38.749 -2.202 1.00 14.04 C
ATOM 403 CG GLN A 25 -8.633 38.815 -1.642 1.00 75.44 C
ATOM 404 CD GLN A 25 -8.659 38.886 -0.128 1.00 61.23 C
ATOM 405 OE1 GLN A 25 -8.614 37.862 0.554 1.00 73.43 O