-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathexample.mol2
6324 lines (6320 loc) · 323 KB
/
example.mol2
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
# Bodil
#
@<TRIPOS>MOLECULE
1aox_h
3041 3067 202
PROTEIN
USER_CHARGES
@<TRIPOS>ATOM
1 MG -1.0950 0.8010 -6.2770 Mg 1 MG340 0.000
2 HA 22.8550 -2.2050 18.3270 H 2 SER139 0.000
3 HB2 20.6950 -1.5400 17.7690 H 2 SER139 0.000
4 HB3 21.0970 -2.8210 16.9770 H 2 SER139 0.000
5 HG 19.9530 -3.9300 18.6060 H 2 SER139 0.000
6 N 22.4790 -4.1110 18.9450 N.am 2 SER139 0.000 BACKBONE
7 CA 22.1230 -2.6600 18.7720 C.3 2 SER139 0.000 BACKBONE
8 C 21.9170 -2.0210 20.1480 C.2 2 SER139 0.000 BACKBONE
9 O 21.8290 -2.7240 21.1480 O.2 2 SER139 0.000 BACKBONE
10 CB 20.8910 -2.4850 17.8630 C.3 2 SER139 0.000
11 OG 19.7420 -3.1540 18.3620 O.3 2 SER139 0.000
12 H 21.8400 -0.1960 19.4900 H 3 CYS140 0.000
13 HA 21.8550 -0.6560 22.1280 H 3 CYS140 0.000
14 HB2 22.5080 1.8230 20.8460 H 3 CYS140 0.000
15 HB3 22.7380 1.5560 22.3660 H 3 CYS140 0.000
16 HG 25.0610 1.3530 20.4880 H 3 CYS140 0.000
17 N 21.8320 -0.6990 20.1880 N.am 3 CYS140 0.000 BACKBONE
18 CA 21.7160 0.0230 21.4500 C.3 3 CYS140 0.000 BACKBONE
19 C 20.3710 0.6420 21.7380 C.2 3 CYS140 0.000 BACKBONE
20 O 19.7310 1.1890 20.8440 O.2 3 CYS140 0.000 BACKBONE
21 CB 22.7490 1.1390 21.4900 C.3 3 CYS140 0.000
22 SG 24.4670 0.5250 21.1220 S.3 3 CYS140 0.000
23 HA 17.9760 0.8410 23.0660 H 4 PRO141 0.000
24 HB2 18.3130 1.7820 25.4710 H 4 PRO141 0.000
25 HB3 18.4390 0.2400 25.2760 H 4 PRO141 0.000
26 HD2 21.7860 0.5250 24.0220 H 4 PRO141 0.000
27 HD3 20.7840 -0.6140 24.3800 H 4 PRO141 0.000
28 HG2 20.6110 2.0900 25.2520 H 4 PRO141 0.000
29 HG3 20.5070 0.8280 26.1630 H 4 PRO141 0.000
30 N 20.0060 0.7130 23.0280 N.am 4 PRO141 0.000 BACKBONE
31 CA 18.7350 1.2790 23.4810 C.3 4 PRO141 0.000 BACKBONE
32 C 18.5170 2.7430 23.0860 C.2 4 PRO141 0.000 BACKBONE
33 O 19.4070 3.5900 23.2320 O.2 4 PRO141 0.000 BACKBONE
34 CB 18.8090 1.0930 25.0010 C.3 4 PRO141 0.000
35 CG 20.2840 1.1770 25.2860 C.3 4 PRO141 0.000
36 CD 20.8490 0.3330 24.1810 C.3 4 PRO141 0.000
37 H 16.7500 2.4030 22.3570 H 5 SER142 0.000
38 HA 15.9810 4.2580 21.9740 H 5 SER142 0.000
39 HB2 18.2280 5.3120 23.4140 H 5 SER142 0.000
40 HB3 17.1480 6.2810 22.8410 H 5 SER142 0.000
41 HG 16.7060 5.7640 24.9250 H 5 SER142 0.000
42 N 17.3420 3.0060 22.5150 N.am 5 SER142 0.000 BACKBONE
43 CA 16.9390 4.3520 22.0970 C.3 5 SER142 0.000 BACKBONE
44 C 17.4440 4.8560 20.7440 C.2 5 SER142 0.000 BACKBONE
45 O 17.0450 5.9450 20.3160 O.2 5 SER142 0.000 BACKBONE
46 CB 17.2880 5.3850 23.1850 C.3 5 SER142 0.000
47 OG 16.4980 5.1920 24.3460 O.3 5 SER142 0.000
48 H 18.7120 3.4020 20.4260 H 6 LEU143 0.000
49 HA 18.6590 5.4990 18.7080 H 6 LEU143 0.000
50 HB2 20.6700 3.5970 19.0610 H 6 LEU143 0.000
51 HB3 20.6360 4.4740 17.7720 H 6 LEU143 0.000
52 HG 20.7160 6.3920 19.3730 H 6 LEU143 0.000
53 HD11 21.8580 5.8630 21.3430 H 6 LEU143 0.000
54 HD12 20.4810 5.0830 21.2990 H 6 LEU143 0.000
55 HD13 21.8290 4.3290 20.9510 H 6 LEU143 0.000
56 HD21 23.0520 6.3820 19.2280 H 6 LEU143 0.000
57 HD22 23.0220 4.8490 18.8300 H 6 LEU143 0.000
58 HD23 22.4280 5.9350 17.8420 H 6 LEU143 0.000
59 N 18.3700 4.1300 20.1210 N.am 6 LEU143 0.000 BACKBONE
60 CA 18.8760 4.5600 18.8200 C.3 6 LEU143 0.000 BACKBONE
61 C 18.2140 3.7290 17.7460 C.2 6 LEU143 0.000 BACKBONE
62 O 18.5520 2.5550 17.5410 O.2 6 LEU143 0.000 BACKBONE
63 CB 20.3950 4.4590 18.7110 C.3 6 LEU143 0.000
64 CG 21.1890 5.5470 19.4300 C.3 6 LEU143 0.000
65 CD1 21.3540 5.1720 20.8860 C.3 6 LEU143 0.000
66 CD2 22.5440 5.6910 18.7740 C.3 6 LEU143 0.000
67 H 17.0080 5.1690 17.2550 H 7 ILE144 0.000
68 HA 16.8120 2.8140 15.9590 H 7 ILE144 0.000
69 HB 14.5640 4.5140 16.4180 H 7 ILE144 0.000
70 HD11 14.9230 1.2270 18.8340 H 7 ILE144 0.000
71 HD12 14.4910 1.0540 17.3200 H 7 ILE144 0.000
72 HD13 15.9910 1.4140 17.6790 H 7 ILE144 0.000
73 HG12 15.2820 3.5070 18.4850 H 7 ILE144 0.000
74 HG13 13.8050 3.1510 18.1320 H 7 ILE144 0.000
75 HG21 13.2640 2.6090 15.7150 H 7 ILE144 0.000
76 HG22 14.2830 3.0110 14.5710 H 7 ILE144 0.000
77 HG23 14.6040 1.7860 15.5230 H 7 ILE144 0.000
78 N 17.2340 4.3540 17.1000 N.am 7 ILE144 0.000 BACKBONE
79 CA 16.4430 3.7060 16.0560 C.3 7 ILE144 0.000 BACKBONE
80 C 16.5390 4.4550 14.7330 C.2 7 ILE144 0.000 BACKBONE
81 O 16.2390 5.6560 14.6500 O.2 7 ILE144 0.000 BACKBONE
82 CB 14.9210 3.6120 16.4480 C.3 7 ILE144 0.000
83 CG1 14.7260 3.0210 17.8560 C.3 7 ILE144 0.000
84 CG2 14.2020 2.6680 15.4750 C.3 7 ILE144 0.000
85 CD1 15.0630 1.5470 17.9290 C.3 7 ILE144 0.000
86 H 17.2460 2.9230 13.7800 H 8 ASP145 0.000
87 HA 17.0460 5.2580 12.3740 H 8 ASP145 0.000
88 HB2 18.6220 2.9770 11.9880 H 8 ASP145 0.000
89 HB3 18.2510 3.8190 10.7290 H 8 ASP145 0.000
90 N 16.9840 3.7390 13.7130 N.am 8 ASP145 0.000 BACKBONE
91 CA 17.0700 4.2880 12.3570 C.3 8 ASP145 0.000 BACKBONE
92 C 15.8740 3.6970 11.5720 C.2 8 ASP145 0.000 BACKBONE
93 O 15.8430 2.4930 11.2890 O.2 8 ASP145 0.000 BACKBONE
94 CB 18.3830 3.8680 11.6890 C.3 8 ASP145 0.000
95 CG 19.5390 4.8250 11.9890 C.2 8 ASP145 0.000
96 OD1 19.3080 5.9950 12.3970 O.co2 8 ASP145 -0.500
97 OD2 20.6910 4.3990 11.7600 O.co2 8 ASP145 -0.500
98 H 14.8800 5.3700 11.4720 H 9 VAL146 0.000
99 HA 13.7810 3.1040 10.5160 H 9 VAL146 0.000
100 HB 12.2910 5.4120 11.2750 H 9 VAL146 0.000
101 HG11 10.3850 4.0390 11.1230 H 9 VAL146 0.000
102 HG12 11.1280 4.0960 9.7260 H 9 VAL146 0.000
103 HG13 11.2980 2.8300 10.6610 H 9 VAL146 0.000
104 HG21 11.6600 4.2760 13.2160 H 9 VAL146 0.000
105 HG22 12.6030 3.0690 12.8130 H 9 VAL146 0.000
106 HG23 13.2310 4.4750 13.1820 H 9 VAL146 0.000
107 N 14.8830 4.5330 11.2740 N.am 9 VAL146 0.000 BACKBONE
108 CA 13.6870 4.0680 10.5620 C.3 9 VAL146 0.000 BACKBONE
109 C 13.5830 4.6320 9.1450 C.2 9 VAL146 0.000 BACKBONE
110 O 13.6600 5.8470 8.9300 O.2 9 VAL146 0.000 BACKBONE
111 CB 12.3960 4.4480 11.3110 C.3 9 VAL146 0.000
112 CG1 11.1930 3.7940 10.6450 C.3 9 VAL146 0.000
113 CG2 12.4800 4.0300 12.7600 C.3 9 VAL146 0.000
114 H 13.4070 2.8890 8.3130 H 10 VAL147 0.000
115 HA 13.3530 5.0970 6.6960 H 10 VAL147 0.000
116 HB 14.4500 2.5870 6.0410 H 10 VAL147 0.000
117 HG11 14.8450 3.4500 3.8830 H 10 VAL147 0.000
118 HG12 13.2890 3.4140 4.1780 H 10 VAL147 0.000
119 HG13 14.0840 4.7790 4.2860 H 10 VAL147 0.000
120 HG21 16.4530 3.8240 5.6560 H 10 VAL147 0.000
121 HG22 15.6990 5.1550 6.0670 H 10 VAL147 0.000
122 HG23 15.9720 4.0330 7.1500 H 10 VAL147 0.000
123 N 13.4280 3.7380 8.1800 N.am 10 VAL147 0.000 BACKBONE
124 CA 13.2760 4.1340 6.7770 C.3 10 VAL147 0.000 BACKBONE
125 C 11.8710 3.6770 6.3060 C.2 10 VAL147 0.000 BACKBONE
126 O 11.5150 2.4940 6.3740 O.2 10 VAL147 0.000 BACKBONE
127 CB 14.4140 3.5430 5.8780 C.3 10 VAL147 0.000
128 CG1 14.1330 3.8210 4.4280 C.3 10 VAL147 0.000
129 CG2 15.7580 4.1990 6.2190 C.3 10 VAL147 0.000
130 H 11.2730 5.4860 5.9530 H 11 VAL148 0.000
131 HA 9.3720 3.5830 5.8320 H 11 VAL148 0.000
132 HB 9.1660 6.4030 5.4940 H 11 VAL148 0.000
133 HG11 6.8490 6.1420 5.6060 H 11 VAL148 0.000
134 HG12 7.4280 5.3450 4.3660 H 11 VAL148 0.000
135 HG13 7.0280 4.5710 5.6880 H 11 VAL148 0.000
136 HG21 8.2350 6.4380 7.6340 H 11 VAL148 0.000
137 HG22 8.4570 4.8750 7.7550 H 11 VAL148 0.000
138 HG23 9.7040 5.8490 7.6900 H 11 VAL148 0.000
139 N 11.0540 4.6540 5.9340 N.am 11 VAL148 0.000 BACKBONE
140 CA 9.7030 4.4130 5.4550 C.3 11 VAL148 0.000 BACKBONE
141 C 9.7080 4.3280 3.9180 C.2 11 VAL148 0.000 BACKBONE
142 O 10.1340 5.2740 3.2550 O.2 11 VAL148 0.000 BACKBONE
143 CB 8.8120 5.5820 5.8700 C.3 11 VAL148 0.000
144 CG1 7.4020 5.3930 5.3340 C.3 11 VAL148 0.000
145 CG2 8.8010 5.6960 7.3700 C.3 11 VAL148 0.000
146 H 9.1390 2.4640 3.7990 H 12 VAL149 0.000
147 HA 9.6260 3.8130 1.4360 H 12 VAL149 0.000
148 HB 10.9170 2.4360 0.7570 H 12 VAL149 0.000
149 HG11 11.6770 0.6140 2.0100 H 12 VAL149 0.000
150 HG12 11.5980 1.9260 2.8930 H 12 VAL149 0.000
151 HG13 10.4730 0.8180 3.0180 H 12 VAL149 0.000
152 HG21 10.2470 0.3620 0.0150 H 12 VAL149 0.000
153 HG22 8.8910 0.5220 0.8160 H 12 VAL149 0.000
154 HG23 9.2160 1.4930 -0.3930 H 12 VAL149 0.000
155 N 9.3470 3.1730 3.3590 N.am 12 VAL149 0.000 BACKBONE
156 CA 9.2800 3.0340 1.9000 C.3 12 VAL149 0.000 BACKBONE
157 C 7.7910 2.9040 1.5660 C.2 12 VAL149 0.000 BACKBONE
158 O 7.1080 1.9290 1.9090 O.2 12 VAL149 0.000 BACKBONE
159 CB 10.2730 1.9590 1.3040 C.3 12 VAL149 0.000
160 CG1 11.0790 1.2660 2.4070 C.3 12 VAL149 0.000
161 CG2 9.5960 0.9980 0.3500 C.3 12 VAL149 0.000
162 H 7.7830 4.7220 0.9300 H 13 CYS150 0.000
163 HA 5.4280 3.4820 1.1210 H 13 CYS150 0.000
164 HB2 5.8840 5.5800 2.3590 H 13 CYS150 0.000
165 HB3 5.9470 6.3030 0.9780 H 13 CYS150 0.000
166 HG 3.5700 6.9450 2.0890 H 13 CYS150 0.000
167 N 7.2910 4.0350 1.0910 N.am 13 CYS150 0.000 BACKBONE
168 CA 5.8980 4.2620 0.7890 C.3 13 CYS150 0.000 BACKBONE
169 C 5.4680 4.2980 -0.6940 C.2 13 CYS150 0.000 BACKBONE
170 O 5.9460 5.1100 -1.4740 O.2 13 CYS150 0.000 BACKBONE
171 CB 5.5220 5.5750 1.4590 C.3 13 CYS150 0.000
172 SG 3.7610 5.8930 1.5450 S.3 13 CYS150 0.000
173 H 4.1460 2.9180 -0.4460 H 14 ASP151 0.000
174 HA 4.5520 3.1160 -3.0280 H 14 ASP151 0.000
175 HB2 3.2290 1.4540 -1.7990 H 14 ASP151 0.000
176 HB3 2.1220 2.5420 -1.6380 H 14 ASP151 0.000
177 N 4.4940 3.4570 -1.0180 N.am 14 ASP151 0.000 BACKBONE
178 CA 3.8960 3.3330 -2.3480 C.3 14 ASP151 0.000 BACKBONE
179 C 3.2330 4.6720 -2.7330 C.2 14 ASP151 0.000 BACKBONE
180 O 2.5070 5.2580 -1.9170 O.2 14 ASP151 0.000 BACKBONE
181 CB 2.8300 2.2300 -2.2240 C.3 14 ASP151 0.000
182 CG 2.2160 1.8030 -3.5600 C.2 14 ASP151 0.000
183 OD1 2.0540 2.6410 -4.4550 O.co2 14 ASP151 -0.500
184 OD2 1.8630 0.6160 -3.6730 O.co2 14 ASP151 -0.500
185 H 4.1250 4.8490 -4.4600 H 15 GLU152 0.000
186 HA 2.2330 6.6540 -3.7780 H 15 GLU152 0.000
187 HB2 3.3940 8.3910 -4.8130 H 15 GLU152 0.000
188 HB3 4.2170 7.8040 -3.6260 H 15 GLU152 0.000
189 HG2 5.5420 6.5920 -5.1810 H 15 GLU152 0.000
190 HG3 4.7500 7.2600 -6.3470 H 15 GLU152 0.000
191 N 3.5460 5.1930 -3.9250 N.am 15 GLU152 0.000 BACKBONE
192 CA 2.9140 6.4220 -4.4290 C.3 15 GLU152 0.000 BACKBONE
193 C 2.2470 6.1850 -5.8100 C.2 15 GLU152 0.000 BACKBONE
194 O 2.0680 7.1310 -6.5860 O.2 15 GLU152 0.000 BACKBONE
195 CB 3.8850 7.6090 -4.5160 C.3 15 GLU152 0.000
196 CG 5.0710 7.3990 -5.4420 C.3 15 GLU152 0.000
197 CD 6.0400 8.5760 -5.4260 C.2 15 GLU152 0.000
198 OE1 5.6440 9.7110 -5.0460 O.co2 15 GLU152 -0.500
199 OE2 7.2060 8.3630 -5.8070 O.co2 15 GLU152 -0.500
200 H 2.0120 4.2760 -5.5600 H 16 SER153 0.000
201 HA 1.8000 4.8680 -8.0740 H 16 SER153 0.000
202 HB2 0.6300 2.8460 -8.3240 H 16 SER153 0.000
203 HB3 1.8950 2.6250 -7.4390 H 16 SER153 0.000
204 N 1.8830 4.9390 -6.0920 N.am 16 SER153 0.000 BACKBONE
205 CA 1.2170 4.5720 -7.3570 C.3 16 SER153 0.000 BACKBONE
206 C -0.1300 5.2750 -7.5180 C.2 16 SER153 0.000 BACKBONE
207 O -0.7550 5.7080 -6.5430 O.2 16 SER153 0.000 BACKBONE
208 CB 1.0290 3.0600 -7.4660 C.3 16 SER153 0.000
209 OG 0.2090 2.5470 -6.4220 O.3 16 SER153 0.000
210 H -0.1370 5.0590 -9.4370 H 17 ASN154 0.000
211 HA -1.7200 6.9610 -8.9250 H 17 ASN154 0.000
212 HB2 -2.1820 4.8440 -10.8080 H 17 ASN154 0.000
213 HB3 -2.9460 6.2010 -10.8750 H 17 ASN154 0.000
214 HD21 -0.1300 5.9950 -13.1830 H 17 ASN154 0.000
215 HD22 -1.1790 4.9940 -12.8400 H 17 ASN154 0.000
216 N -0.5700 5.3730 -8.7640 N.am 17 ASN154 0.000 BACKBONE
217 CA -1.8300 6.0200 -9.1340 C.3 17 ASN154 0.000 BACKBONE
218 C -3.0440 5.5360 -8.3370 C.2 17 ASN154 0.000 BACKBONE
219 O -3.9910 6.2750 -8.1310 O.2 17 ASN154 0.000 BACKBONE
220 CB -2.0980 5.7950 -10.6370 C.3 17 ASN154 0.000
221 CG -1.0010 6.3690 -11.5230 C.2 17 ASN154 0.000
222 OD1 -0.4000 7.3960 -11.2020 O.2 17 ASN154 0.000
223 ND2 -0.7390 5.7080 -12.6480 N.am 17 ASN154 0.000
224 H -2.3720 3.7440 -8.0500 H 18 SER155 0.000
225 HA -4.9180 3.8770 -7.7030 H 18 SER155 0.000
226 HB2 -4.5810 1.8280 -6.4650 H 18 SER155 0.000
227 HB3 -3.7870 1.7840 -7.8060 H 18 SER155 0.000
228 N -3.0250 4.2860 -7.9130 N.am 18 SER155 0.000 BACKBONE
229 CA -4.1280 3.7140 -7.1650 C.3 18 SER155 0.000 BACKBONE
230 C -4.4310 4.3660 -5.8080 C.2 18 SER155 0.000 BACKBONE
231 O -5.5710 4.3380 -5.3310 O.2 18 SER155 0.000 BACKBONE
232 CB -3.8500 2.2390 -6.9520 C.3 18 SER155 0.000
233 OG -2.6490 2.0960 -6.2360 O.3 18 SER155 0.000
234 H -2.5980 4.9060 -5.4560 H 19 ILE156 0.000
235 HA -3.9490 4.8440 -3.2660 H 19 ILE156 0.000
236 HB -1.7980 6.6650 -3.8980 H 19 ILE156 0.000
237 HD11 -0.8930 3.3150 -1.7510 H 19 ILE156 0.000
238 HD12 -1.5920 4.5340 -1.0220 H 19 ILE156 0.000
239 HD13 -2.4310 3.6070 -1.9940 H 19 ILE156 0.000
240 HG12 -1.1500 4.3790 -3.8150 H 19 ILE156 0.000
241 HG13 -0.3240 5.2920 -2.8580 H 19 ILE156 0.000
242 HG21 -1.6130 7.1360 -1.5890 H 19 ILE156 0.000
243 HG22 -3.0420 7.5630 -2.1200 H 19 ILE156 0.000
244 HG23 -2.8690 6.2150 -1.3080 H 19 ILE156 0.000
245 N -3.4050 4.8970 -5.1580 N.am 19 ILE156 0.000 BACKBONE
246 CA -3.5760 5.5240 -3.8490 C.3 19 ILE156 0.000 BACKBONE
247 C -4.4690 6.7320 -3.9790 C.2 19 ILE156 0.000 BACKBONE
248 O -4.1930 7.6410 -4.7570 O.2 19 ILE156 0.000 BACKBONE
249 CB -2.1940 6.0620 -3.2500 C.3 19 ILE156 0.000
250 CG1 -1.2060 4.9170 -3.0100 C.3 19 ILE156 0.000
251 CG2 -2.4530 6.8120 -1.9490 C.3 19 ILE156 0.000
252 CD1 -1.5630 4.0110 -1.8380 C.3 19 ILE156 0.000
253 H -5.7490 6.1620 -2.6350 H 20 TYR157 0.000
254 HA -5.8900 8.7220 -3.4180 H 20 TYR157 0.000
255 HB2 -7.0280 7.8110 -5.2270 H 20 TYR157 0.000
256 HB3 -7.8660 6.8780 -4.3000 H 20 TYR157 0.000
257 HD1 -7.5240 10.2570 -5.2450 H 20 TYR157 0.000
258 HD2 -9.8760 7.7240 -3.2130 H 20 TYR157 0.000
259 HE1 -9.1100 11.9370 -4.9790 H 20 TYR157 0.000
260 HE2 -11.4560 9.4020 -2.9320 H 20 TYR157 0.000
261 HH -12.0270 11.5340 -3.3490 H 20 TYR157 0.000
262 N -5.5260 6.7750 -3.1950 N.am 20 TYR157 0.000 BACKBONE
263 CA -6.4120 7.9240 -3.2440 C.3 20 TYR157 0.000 BACKBONE
264 C -7.1460 8.0110 -1.9100 C.2 20 TYR157 0.000 BACKBONE
265 O -7.6510 7.0090 -1.4100 O.2 20 TYR157 0.000 BACKBONE
266 CB -7.4600 7.7570 -4.3600 C.3 20 TYR157 0.000
267 CG -8.5200 8.8150 -4.2540 C.ar 20 TYR157 0.000
268 CD1 -8.3100 10.0790 -4.7800 C.ar 20 TYR157 0.000
269 CD2 -9.7160 8.5700 -3.5650 C.ar 20 TYR157 0.000
270 CE1 -9.2620 11.0920 -4.6230 C.ar 20 TYR157 0.000
271 CE2 -10.6700 9.5740 -3.3980 C.ar 20 TYR157 0.000
272 CZ -10.4350 10.8260 -3.9320 C.ar 20 TYR157 0.000
273 OH -11.3700 11.8270 -3.7820 O.3 20 TYR157 0.000
274 HA -6.4500 10.6780 -2.5210 H 21 PRO158 0.000
275 HB2 -7.0210 12.2610 -0.5890 H 21 PRO158 0.000
276 HB3 -8.2100 11.7310 -1.4490 H 21 PRO158 0.000
277 HD2 -8.0700 8.6130 0.4680 H 21 PRO158 0.000
278 HD3 -9.0660 9.1700 -0.5950 H 21 PRO158 0.000
279 HG2 -7.3450 10.6670 1.0450 H 21 PRO158 0.000
280 HG3 -8.8140 11.0240 0.6620 H 21 PRO158 0.000
281 N -7.1320 9.1740 -1.2600 N.am 21 PRO158 0.000 BACKBONE
282 CA -6.5360 10.4760 -1.5760 C.3 21 PRO158 0.000 BACKBONE
283 C -5.0930 10.5170 -0.9990 C.2 21 PRO158 0.000 BACKBONE
284 O -4.8160 9.8740 0.0130 O.2 21 PRO158 0.000 BACKBONE
285 CB -7.4830 11.4550 -0.8690 C.3 21 PRO158 0.000
286 CG -7.9850 10.6590 0.3160 C.3 21 PRO158 0.000
287 CD -8.1780 9.2860 -0.2220 C.3 21 PRO158 0.000
288 H -4.3070 11.6110 -2.4100 H 22 TRP159 0.000
289 HA -2.4330 10.3820 -1.1190 H 22 TRP159 0.000
290 HB2 -1.9680 11.7340 -3.0050 H 22 TRP159 0.000
291 HB3 -2.2300 13.0090 -2.1460 H 22 TRP159 0.000
292 HD1 -0.0500 14.0530 -1.2540 H 22 TRP159 0.000
293 HE1 2.1240 13.2780 -0.5750 H 22 TRP159 0.000
294 HE3 -0.6110 9.2640 -2.1240 H 22 TRP159 0.000
295 HH2 3.1750 8.6070 -0.8600 H 22 TRP159 0.000
296 HZ2 3.4710 10.8600 -0.4270 H 22 TRP159 0.000
297 HZ3 1.1610 7.8080 -1.6930 H 22 TRP159 0.000
298 N -4.1670 11.1960 -1.6700 N.am 22 TRP159 0.000 BACKBONE
299 CA -2.7990 11.2790 -1.1660 C.3 22 TRP159 0.000 BACKBONE
300 C -2.8100 11.9090 0.2410 C.2 22 TRP159 0.000 BACKBONE
301 O -2.0110 11.5330 1.1010 O.2 22 TRP159 0.000 BACKBONE
302 CB -1.9060 12.0960 -2.1070 C.3 22 TRP159 0.000
303 CG -0.4870 12.0950 -1.6720 C.2 22 TRP159 0.000
304 CD1 0.2510 13.1730 -1.2640 C.2 22 TRP159 0.000
305 CD2 0.3670 10.9520 -1.5290 C.ar 22 TRP159 0.000
306 NE1 1.5010 12.7650 -0.8710 N.pl3 22 TRP159 0.000
307 CE2 1.5950 11.4060 -1.0270 C.ar 22 TRP159 0.000
308 CE3 0.1940 9.5860 -1.7880 C.ar 22 TRP159 0.000
309 CZ2 2.6650 10.5410 -0.7640 C.ar 22 TRP159 0.000
310 CZ3 1.2600 8.7180 -1.5290 C.ar 22 TRP159 0.000
311 CH2 2.4800 9.2030 -1.0230 C.ar 22 TRP159 0.000
312 H -4.3430 13.0430 -0.1090 H 23 ASP160 0.000
313 HA -3.1800 14.0820 1.8660 H 23 ASP160 0.000
314 HB2 -5.9320 13.7680 1.2990 H 23 ASP160 0.000
315 HB3 -5.5840 14.3120 2.7190 H 23 ASP160 0.000
316 N -3.7650 12.8050 0.4820 N.am 23 ASP160 0.000 BACKBONE
317 CA -3.9370 13.4820 1.7760 C.3 23 ASP160 0.000 BACKBONE
318 C -3.9310 12.5150 2.9580 C.2 23 ASP160 0.000 BACKBONE
319 O -3.3180 12.7820 3.9790 O.2 23 ASP160 0.000 BACKBONE
320 CB -5.2660 14.2600 1.8040 C.3 23 ASP160 0.000
321 CG -5.1530 15.6620 1.2390 C.2 23 ASP160 0.000
322 OD1 -4.1330 15.9940 0.5980 O.co2 23 ASP160 -0.500
323 OD2 -6.1010 16.4510 1.4470 O.co2 23 ASP160 -0.500
324 H -5.0460 11.1880 2.0940 H 24 ALA161 0.000
325 HA -5.0160 10.8550 4.6700 H 24 ALA161 0.000
326 HB1 -5.7900 8.6610 4.2160 H 24 ALA161 0.000
327 HB2 -6.6110 9.7230 3.3750 H 24 ALA161 0.000
328 HB3 -5.4670 8.8760 2.6800 H 24 ALA161 0.000
329 N -4.6190 11.3950 2.8110 N.am 24 ALA161 0.000 BACKBONE
330 CA -4.7130 10.4010 3.8680 C.3 24 ALA161 0.000 BACKBONE
331 C -3.3650 9.7830 4.1820 C.2 24 ALA161 0.000 BACKBONE
332 O -3.0880 9.4630 5.3330 O.2 24 ALA161 0.000 BACKBONE
333 CB -5.7400 9.3150 3.5010 C.3 24 ALA161 0.000
334 H -2.6890 9.8100 2.3530 H 25 VAL162 0.000
335 HA -1.3150 8.2730 3.9940 H 25 VAL162 0.000
336 HB -0.4530 9.2740 1.4990 H 25 VAL162 0.000
337 HG11 1.2750 7.6730 1.6130 H 25 VAL162 0.000
338 HG12 1.4080 8.6950 2.8160 H 25 VAL162 0.000
339 HG13 0.7920 7.2560 3.0630 H 25 VAL162 0.000
340 HG21 -0.9670 7.1260 0.6870 H 25 VAL162 0.000
341 HG22 -1.4820 6.7080 2.1260 H 25 VAL162 0.000
342 HG23 -2.2670 7.8000 1.2890 H 25 VAL162 0.000
343 N -2.5220 9.6100 3.1730 N.am 25 VAL162 0.000 BACKBONE
344 CA -1.2070 9.0450 3.4170 C.3 25 VAL162 0.000 BACKBONE
345 C -0.3250 10.0930 4.1090 C.2 25 VAL162 0.000 BACKBONE
346 O 0.4230 9.7520 5.0370 O.2 25 VAL162 0.000 BACKBONE
347 CB -0.5360 8.5360 2.1230 C.3 25 VAL162 0.000
348 CG1 0.8630 7.9900 2.4320 C.3 25 VAL162 0.000
349 CG2 -1.3900 7.4440 1.5000 C.3 25 VAL162 0.000
350 H -0.9630 11.6160 3.0620 H 26 LYS163 0.000
351 HA 1.2800 12.2000 4.2070 H 26 LYS163 0.000
352 HB2 -0.8460 13.8860 3.4740 H 26 LYS163 0.000
353 HB3 0.3920 14.4850 4.2100 H 26 LYS163 0.000
354 HD2 1.4500 15.8820 2.5120 H 26 LYS163 0.000
355 HD3 1.2930 15.4780 1.0140 H 26 LYS163 0.000
356 HE2 -1.0510 15.5830 1.2210 H 26 LYS163 0.000
357 HE3 -0.9070 15.9600 2.7280 H 26 LYS163 0.000
358 HG2 1.7140 13.5680 2.3570 H 26 LYS163 0.000
359 HG3 0.3530 13.4230 1.6090 H 26 LYS163 0.000
360 HZ1 -1.0990 17.9110 1.7620 H 26 LYS163 0.000
361 HZ2 0.3470 17.8280 1.8800 H 26 LYS163 0.000
362 HZ3 -0.2960 17.5500 0.6060 H 26 LYS163 0.000
363 N -0.4390 11.3610 3.6940 N.am 26 LYS163 0.000 BACKBONE
364 CA 0.3440 12.4350 4.3060 C.3 26 LYS163 0.000 BACKBONE
365 C -0.0100 12.5680 5.7790 C.2 26 LYS163 0.000 BACKBONE
366 O 0.8560 12.8310 6.6150 O.2 26 LYS163 0.000 BACKBONE
367 CB 0.1070 13.7730 3.6160 C.3 26 LYS163 0.000
368 CG 0.8170 13.9310 2.2930 C.3 26 LYS163 0.000
369 CD 0.8820 15.4020 1.8890 C.3 26 LYS163 0.000
370 CE -0.4840 16.0440 1.8590 C.3 26 LYS163 0.000
371 NZ -0.3720 17.4760 1.4900 N.4 26 LYS163 1.000
372 H -1.9050 12.2180 5.5140 H 27 ASN164 0.000
373 HA -1.3790 13.2700 7.8530 H 27 ASN164 0.000
374 HB2 -3.6700 12.1240 6.7640 H 27 ASN164 0.000
375 HB3 -3.6140 12.1730 8.3220 H 27 ASN164 0.000
376 HD21 -4.6700 15.2410 6.3700 H 27 ASN164 0.000
377 HD22 -4.6850 13.8410 5.8600 H 27 ASN164 0.000
378 N -1.2900 12.3880 6.0910 N.am 27 ASN164 0.000 BACKBONE
379 CA -1.7610 12.4670 7.4660 C.3 27 ASN164 0.000 BACKBONE
380 C -1.2680 11.3060 8.3160 C.2 27 ASN164 0.000 BACKBONE
381 O -0.9460 11.4850 9.4900 O.2 27 ASN164 0.000 BACKBONE
382 CB -3.2790 12.5960 7.5160 C.3 27 ASN164 0.000
383 CG -3.7100 14.0310 7.4860 C.2 27 ASN164 0.000
384 OD1 -3.3330 14.8120 8.3610 O.2 27 ASN164 0.000
385 ND2 -4.4400 14.4160 6.4510 N.am 27 ASN164 0.000
386 H -1.4310 9.9590 6.9210 H 28 PHE165 0.000
387 HA -1.2020 8.8420 9.2730 H 28 PHE165 0.000
388 HB2 -1.7010 7.3420 7.7150 H 28 PHE165 0.000
389 HB3 -0.6840 7.9270 6.6870 H 28 PHE165 0.000
390 HD1 -0.7880 5.9020 9.5990 H 28 PHE165 0.000
391 HD2 1.4840 6.9870 6.4950 H 28 PHE165 0.000
392 HE1 0.7250 4.2190 10.1150 H 28 PHE165 0.000
393 HE2 3.0040 5.3210 7.0030 H 28 PHE165 0.000
394 HZ 2.6280 3.9280 8.8100 H 28 PHE165 0.000
395 N -1.1940 10.1190 7.7320 N.am 28 PHE165 0.000 BACKBONE
396 CA -0.6850 8.9680 8.4620 C.3 28 PHE165 0.000 BACKBONE
397 C 0.7820 9.2290 8.7840 C.2 28 PHE165 0.000 BACKBONE
398 O 1.2320 8.9530 9.8910 O.2 28 PHE165 0.000 BACKBONE
399 CB -0.8030 7.6970 7.6220 C.3 28 PHE165 0.000
400 CG 0.1870 6.6210 7.9900 C.ar 28 PHE165 0.000
401 CD1 -0.0290 5.7870 9.0740 C.ar 28 PHE165 0.000
402 CD2 1.3280 6.4320 7.2250 C.ar 28 PHE165 0.000
403 CE1 0.8800 4.7760 9.3860 C.ar 28 PHE165 0.000
404 CE2 2.2430 5.4310 7.5270 C.ar 28 PHE165 0.000
405 CZ 2.0200 4.6010 8.6050 C.ar 28 PHE165 0.000
406 H 1.2050 9.9290 7.0210 H 29 LEU166 0.000
407 HA 3.3760 9.2060 8.2320 H 29 LEU166 0.000
408 HB2 2.7800 10.7740 6.0620 H 29 LEU166 0.000
409 HB3 4.0780 11.2500 6.7830 H 29 LEU166 0.000
410 HG 5.2770 9.6000 6.0120 H 29 LEU166 0.000
411 HD11 4.6260 7.4310 5.6340 H 29 LEU166 0.000
412 HD12 4.2950 7.8750 7.1180 H 29 LEU166 0.000
413 HD13 3.1400 7.8040 6.0360 H 29 LEU166 0.000
414 HD21 4.5740 9.0820 3.8040 H 29 LEU166 0.000
415 HD22 3.1190 9.5940 4.1620 H 29 LEU166 0.000
416 HD23 4.3270 10.6160 4.1090 H 29 LEU166 0.000
417 N 1.5190 9.7390 7.7990 N.am 29 LEU166 0.000 BACKBONE
418 CA 2.9410 10.0260 7.9510 C.3 29 LEU166 0.000 BACKBONE
419 C 3.2280 11.0550 9.0480 C.2 29 LEU166 0.000 BACKBONE
420 O 4.1360 10.8710 9.8570 O.2 29 LEU166 0.000 BACKBONE
421 CB 3.5170 10.4760 6.6180 C.3 29 LEU166 0.000
422 CG 4.3390 9.4630 5.8070 C.3 29 LEU166 0.000
423 CD1 4.0760 8.0120 6.1830 C.3 29 LEU166 0.000
424 CD2 4.0650 9.7110 4.3390 C.3 29 LEU166 0.000
425 H 1.7950 12.2520 8.5190 H 30 GLU167 0.000
426 HA 3.4720 13.5000 10.0680 H 30 GLU167 0.000
427 HB2 2.0700 15.0010 9.2590 H 30 GLU167 0.000
428 HB3 0.8880 13.9870 9.1870 H 30 GLU167 0.000
429 HG2 0.3520 14.3600 11.4320 H 30 GLU167 0.000
430 HG3 1.6300 15.2300 11.6340 H 30 GLU167 0.000
431 N 2.4310 12.1190 9.0830 N.am 30 GLU167 0.000 BACKBONE
432 CA 2.5590 13.1740 10.0910 C.3 30 GLU167 0.000 BACKBONE
433 C 2.2930 12.6430 11.5110 C.2 30 GLU167 0.000 BACKBONE
434 O 3.0790 12.8820 12.4290 O.2 30 GLU167 0.000 BACKBONE
435 CB 1.5900 14.3260 9.7640 C.3 30 GLU167 0.000
436 CG 0.9370 14.9990 10.9960 C.3 30 GLU167 0.000
437 CD 0.1360 16.2550 10.6530 C.2 30 GLU167 0.000
438 OE1 -0.3010 16.4030 9.4860 O.co2 30 GLU167 -0.500
439 OE2 -0.0510 17.1000 11.5620 O.co2 30 GLU167 -0.500
440 H 0.5900 11.8010 11.0760 H 31 LYS168 0.000
441 HA 0.8420 12.1290 13.6450 H 31 LYS168 0.000
442 N 1.1650 11.9570 11.6960 N.am 31 LYS168 0.000 BACKBONE
443 CA 0.8130 11.4050 13.0000 C.3 31 LYS168 0.000 BACKBONE
444 C 1.8140 10.3450 13.4320 C.2 31 LYS168 0.000 BACKBONE
445 O 2.0690 10.1860 14.6220 O.2 31 LYS168 0.000 BACKBONE
446 CB -0.6070 10.8330 12.9890 C.3 31 LYS168 0.000
447 H 2.1970 9.7140 11.6290 H 32 PHE169 0.000
448 HA 2.9720 7.9780 13.3910 H 32 PHE169 0.000
449 HB2 2.9810 7.3330 11.1750 H 32 PHE169 0.000
450 HB3 3.9680 8.4780 10.7910 H 32 PHE169 0.000
451 HD1 4.0380 5.6990 13.0310 H 32 PHE169 0.000
452 HD2 6.1480 7.7880 10.3580 H 32 PHE169 0.000
453 HE1 5.7610 4.1960 13.2320 H 32 PHE169 0.000
454 HE2 7.8760 6.2760 10.5480 H 32 PHE169 0.000
455 HZ 7.6860 4.4730 11.9820 H 32 PHE169 0.000
456 N 2.3780 9.6200 12.4640 N.am 32 PHE169 0.000 BACKBONE
457 CA 3.3670 8.5890 12.7490 C.3 32 PHE169 0.000 BACKBONE
458 C 4.6320 9.2180 13.3100 C.2 32 PHE169 0.000 BACKBONE
459 O 5.1560 8.7700 14.3310 O.2 32 PHE169 0.000 BACKBONE
460 CB 3.7490 7.8370 11.4860 C.3 32 PHE169 0.000
461 CG 4.9080 6.8990 11.6680 C.ar 32 PHE169 0.000
462 CD1 4.8120 5.8170 12.5280 C.ar 32 PHE169 0.000
463 CD2 6.0660 7.0630 10.9340 C.ar 32 PHE169 0.000
464 CE1 5.8390 4.9170 12.6500 C.ar 32 PHE169 0.000
465 CE2 7.1010 6.1600 11.0490 C.ar 32 PHE169 0.000
466 CZ 6.9890 5.0840 11.9060 C.ar 32 PHE169 0.000
467 H 4.7830 10.4850 11.8520 H 33 VAL170 0.000
468 HA 7.0650 10.3110 13.0450 H 33 VAL170 0.000
469 HB 5.8970 12.2850 11.4220 H 33 VAL170 0.000
470 HG11 7.7250 13.7330 11.5980 H 33 VAL170 0.000
471 HG12 6.9750 13.6130 12.9880 H 33 VAL170 0.000
472 HG13 8.3270 12.8240 12.7470 H 33 VAL170 0.000
473 HG21 7.7730 11.8550 10.0240 H 33 VAL170 0.000
474 HG22 8.3540 10.8740 11.1240 H 33 VAL170 0.000
475 HG23 7.0190 10.5030 10.3570 H 33 VAL170 0.000
476 N 5.1400 10.2140 12.5860 N.am 33 VAL170 0.000 BACKBONE
477 CA 6.3440 10.9520 12.9480 C.3 33 VAL170 0.000 BACKBONE
478 C 6.2370 11.6430 14.3210 C.2 33 VAL170 0.000 BACKBONE
479 O 7.1790 11.5850 15.1200 O.2 33 VAL170 0.000 BACKBONE
480 CB 6.7230 11.9510 11.8050 C.3 33 VAL170 0.000
481 CG1 7.5080 13.1370 12.3320 C.3 33 VAL170 0.000
482 CG2 7.5420 11.2300 10.7290 C.3 33 VAL170 0.000
483 H 4.4010 12.3040 14.1300 H 34 GLN171 0.000
484 HA 5.8940 13.1840 16.1030 H 34 GLN171 0.000
485 HB2 4.1570 14.5700 16.7840 H 34 GLN171 0.000
486 HB3 4.4350 14.7470 15.2600 H 34 GLN171 0.000
487 HG2 2.5070 13.4130 14.8220 H 34 GLN171 0.000
488 HG3 2.2010 13.4340 16.3510 H 34 GLN171 0.000
489 HE21 0.7150 14.6600 14.1490 H 34 GLN171 0.000
490 HE22 0.5720 16.1140 14.4380 H 34 GLN171 0.000
491 N 5.0950 12.2530 14.6350 N.am 34 GLN171 0.000 BACKBONE
492 CA 4.9800 12.9000 15.9430 C.3 34 GLN171 0.000 BACKBONE
493 C 4.6640 12.0040 17.1320 C.2 34 GLN171 0.000 BACKBONE
494 O 4.2440 12.4790 18.1780 O.2 34 GLN171 0.000 BACKBONE
495 CB 4.0810 14.1320 15.9220 C.3 34 GLN171 0.000
496 CG 2.6170 13.9350 15.6320 C.3 34 GLN171 0.000
497 CD 1.9380 15.2800 15.4780 C.2 34 GLN171 0.000
498 OE1 2.3270 16.2570 16.1280 O.2 34 GLN171 0.000
499 NE2 0.9600 15.3610 14.5830 N.am 34 GLN171 0.000
500 H 5.1410 10.3570 16.2210 H 35 GLY172 0.000
501 HA2 4.3210 10.2060 18.8260 H 35 GLY172 0.000
502 HA3 4.0400 9.0780 17.7860 H 35 GLY172 0.000
503 N 4.8770 10.7090 16.9600 N.am 35 GLY172 0.000 BACKBONE
504 CA 4.6750 9.7680 18.0360 C.3 35 GLY172 0.000 BACKBONE
505 C 6.0440 9.1850 18.2990 C.2 35 GLY172 0.000 BACKBONE
506 O 6.2010 8.2720 19.1110 O.2 35 GLY172 0.000 BACKBONE
507 H 6.9430 10.3770 17.0500 H 36 LEU173 0.000
508 HA 8.3960 8.4630 18.2810 H 36 LEU173 0.000
509 HB2 8.9830 9.7360 15.8180 H 36 LEU173 0.000
510 HB3 9.9230 8.6740 16.4670 H 36 LEU173 0.000
511 HG 7.3820 8.0120 15.4070 H 36 LEU173 0.000
512 HD11 8.5570 7.1050 13.5720 H 36 LEU173 0.000
513 HD12 8.8480 8.6590 13.6760 H 36 LEU173 0.000
514 HD13 9.9230 7.6160 14.1900 H 36 LEU173 0.000
515 HD21 8.0110 5.7880 15.6930 H 36 LEU173 0.000
516 HD22 9.3710 6.2500 16.3590 H 36 LEU173 0.000
517 HD23 7.9950 6.5290 17.0920 H 36 LEU173 0.000
518 N 7.0450 9.7270 17.6040 N.am 36 LEU173 0.000 BACKBONE
519 CA 8.4190 9.2580 17.7260 C.3 36 LEU173 0.000 BACKBONE
520 C 9.3180 10.2850 18.3970 C.2 36 LEU173 0.000 BACKBONE
521 O 9.1320 11.4960 18.2280 O.2 36 LEU173 0.000 BACKBONE
522 CB 8.9930 8.9220 16.3450 C.3 36 LEU173 0.000
523 CG 8.3280 7.8260 15.5130 C.3 36 LEU173 0.000
524 CD1 8.9740 7.7990 14.1070 C.3 36 LEU173 0.000
525 CD2 8.4360 6.4740 16.2300 C.3 36 LEU173 0.000
526 H 10.3890 8.9480 19.3170 H 37 ASP174 0.000
527 HA 10.8290 11.4580 20.2070 H 37 ASP174 0.000
528 HB2 11.1120 9.4150 21.5310 H 37 ASP174 0.000
529 HB3 12.4730 9.2590 20.7850 H 37 ASP174 0.000
530 N 10.2770 9.7890 19.1760 N.am 37 ASP174 0.000 BACKBONE
531 CA 11.2370 10.6450 19.8690 C.3 37 ASP174 0.000 BACKBONE
532 C 12.3160 10.9590 18.8410 C.2 37 ASP174 0.000 BACKBONE
533 O 13.3000 10.2360 18.7190 O.2 37 ASP174 0.000 BACKBONE
534 CB 11.8200 9.9090 21.0880 C.3 37 ASP174 0.000
535 CG 12.4810 10.8550 22.0960 C.2 37 ASP174 0.000
536 OD1 12.2710 12.0900 22.0120 O.co2 37 ASP174 -0.500
537 OD2 13.2110 10.3520 22.9820 O.co2 37 ASP174 -0.500
538 H 11.4310 12.5670 18.2250 H 38 ILE175 0.000
539 HA 13.3450 11.6340 16.6870 H 38 ILE175 0.000
540 HB 11.7980 14.0420 16.3630 H 38 ILE175 0.000
541 HD11 10.7490 10.7640 14.1310 H 38 ILE175 0.000
542 HD12 12.0020 11.6290 13.6940 H 38 ILE175 0.000
543 HD13 12.1030 10.6650 14.9470 H 38 ILE175 0.000
544 HG12 10.5460 12.0200 16.0990 H 38 ILE175 0.000
545 HG13 10.4460 12.9690 14.8650 H 38 ILE175 0.000
546 HG21 12.5880 14.2170 14.1480 H 38 ILE175 0.000
547 HG22 13.7920 14.3140 15.1730 H 38 ILE175 0.000
548 HG23 13.5250 12.9630 14.3910 H 38 ILE175 0.000
549 N 12.1050 12.0460 18.1080 N.am 38 ILE175 0.000 BACKBONE
550 CA 12.9920 12.4710 17.0270 C.3 38 ILE175 0.000 BACKBONE
551 C 14.2270 13.2920 17.4240 C.2 38 ILE175 0.000 BACKBONE
552 O 14.1480 14.2090 18.2350 O.2 38 ILE175 0.000 BACKBONE
553 CB 12.1860 13.2620 15.9360 C.3 38 ILE175 0.000
554 CG1 11.0520 12.3980 15.3630 C.3 38 ILE175 0.000
555 CG2 13.1070 13.7320 14.8090 C.3 38 ILE175 0.000
556 CD1 11.5190 11.2600 14.4500 C.3 38 ILE175 0.000
557 H 15.4030 12.3530 16.1920 H 39 GLY176 0.000
558 HA2 16.6410 14.4820 16.4920 H 39 GLY176 0.000
559 HA3 16.6620 13.9360 17.9530 H 39 GLY176 0.000
560 N 15.3510 12.9770 16.7810 N.am 39 GLY176 0.000 BACKBONE
561 CA 16.6020 13.6700 17.0220 C.3 39 GLY176 0.000 BACKBONE
562 C 17.7600 12.7560 16.6640 C.2 39 GLY176 0.000 BACKBONE
563 O 17.6030 11.5370 16.7640 O.2 39 GLY176 0.000 BACKBONE
564 HA 19.9730 11.9430 15.2160 H 40 PRO177 0.000
565 HB2 22.0540 13.4380 15.7420 H 40 PRO177 0.000
566 HB3 21.0720 13.9310 14.6360 H 40 PRO177 0.000
567 HD2 18.7530 15.2000 17.0360 H 40 PRO177 0.000
568 HD3 18.9080 15.1670 15.4840 H 40 PRO177 0.000
569 HG2 20.9820 14.6750 17.3740 H 40 PRO177 0.000
570 HG3 21.0630 15.6600 16.1670 H 40 PRO177 0.000
571 N 18.9480 13.2980 16.3120 N.am 40 PRO177 0.000 BACKBONE
572 CA 20.1650 12.5680 15.9330 C.3 40 PRO177 0.000 BACKBONE
573 C 20.7510 11.6390 16.9860 C.2 40 PRO177 0.000 BACKBONE
574 O 21.6210 10.8140 16.6860 O.2 40 PRO177 0.000 BACKBONE
575 CB 21.1330 13.6910 15.5740 C.3 40 PRO177 0.000
576 CG 20.7010 14.8070 16.4550 C.3 40 PRO177 0.000
577 CD 19.2070 14.7490 16.3070 C.3 40 PRO177 0.000
578 H 19.6580 12.3570 18.4170 H 41 THR178 0.000
579 HA 21.4850 10.4610 19.0990 H 41 THR178 0.000
580 HB 21.1430 11.3360 21.3480 H 41 THR178 0.000
581 HG1 20.1380 13.3200 21.3950 H 41 THR178 0.000
582 HG21 22.5380 13.2130 21.0390 H 41 THR178 0.000
583 HG22 23.0590 12.0090 20.1510 H 41 THR178 0.000
584 HG23 22.2330 13.1840 19.4850 H 41 THR178 0.000
585 N 20.2610 11.7780 18.2150 N.am 41 THR178 0.000 BACKBONE
586 CA 20.6940 10.9620 19.3530 C.3 41 THR178 0.000 BACKBONE
587 C 19.5870 9.9710 19.7490 C.2 41 THR178 0.000 BACKBONE
588 O 19.8120 9.0260 20.5090 O.2 41 THR178 0.000 BACKBONE
589 CB 21.0320 11.8790 20.5520 C.3 41 THR178 0.000
590 OG1 19.9590 12.8210 20.7440 O.3 41 THR178 0.000
591 CG2 22.3350 12.6410 20.2820 C.3 41 THR178 0.000
592 H 18.2340 10.8400 18.6560 H 42 LYS179 0.000
593 HA 17.4800 8.6960 20.1490 H 42 LYS179 0.000
594 HB2 15.7580 10.7560 19.2820 H 42 LYS179 0.000
595 HB3 15.3550 9.5970 20.2450 H 42 LYS179 0.000
596 HD2 16.3680 12.9360 20.2950 H 42 LYS179 0.000
597 HD3 14.9310 12.4090 20.5980 H 42 LYS179 0.000
598 HE2 16.6310 13.2750 22.6840 H 42 LYS179 0.000
599 HE3 15.6560 14.2670 21.9780 H 42 LYS179 0.000
600 HG2 16.0080 10.7010 22.0090 H 42 LYS179 0.000
601 HG3 17.3520 11.1290 21.3430 H 42 LYS179 0.000
602 HZ1 14.5890 13.5090 23.7880 H 42 LYS179 0.000
603 HZ2 13.9220 12.8460 22.6800 H 42 LYS179 0.000
604 HZ3 14.8820 12.1170 23.4910 H 42 LYS179 0.000
605 N 18.3940 10.1930 19.1990 N.am 42 LYS179 0.000 BACKBONE
606 CA 17.2420 9.3490 19.4720 C.3 42 LYS179 0.000 BACKBONE
607 C 16.8250 8.6070 18.1900 C.2 42 LYS179 0.000 BACKBONE
608 O 17.5910 7.7860 17.6710 O.2 42 LYS179 0.000 BACKBONE
609 CB 16.0810 10.1930 20.0030 C.3 42 LYS179 0.000
610 CG 16.3930 11.0820 21.2040 C.3 42 LYS179 0.000
611 CD 15.8270 12.4860 20.9630 C.3 42 LYS179 0.000
612 CE 15.7810 13.3360 22.2210 C.3 42 LYS179 0.000
613 NZ 14.6830 12.9090 23.1370 N.4 42 LYS179 1.000
614 H 15.0890 9.4740 18.0270 H 43 THR180 0.000
615 HA 15.6590 7.4500 16.3680 H 43 THR180 0.000
616 HB 13.0890 8.6610 16.7340 H 43 THR180 0.000
617 HG1 12.6220 6.8000 17.8780 H 43 THR180 0.000
618 HG21 12.1560 6.8320 15.5340 H 43 THR180 0.000
619 HG22 13.1770 7.6210 14.6150 H 43 THR180 0.000
620 HG23 13.6120 6.2570 15.2930 H 43 THR180 0.000
621 N 15.6250 8.8960 17.6830 N.am 43 THR180 0.000 BACKBONE
622 CA 15.1090 8.2420 16.4760 C.3 43 THR180 0.000 BACKBONE
623 C 15.2440 9.0960 15.2180 C.2 43 THR180 0.000 BACKBONE
624 O 14.9170 10.2920 15.2060 O.2 43 THR180 0.000 BACKBONE
625 CB 13.5990 7.8410 16.6390 C.3 43 THR180 0.000
626 OG1 13.4320 7.0090 17.7970 O.3 43 THR180 0.000
627 CG2 13.0890 7.0660 15.4060 C.3 43 THR180 0.000
628 H 16.0830 7.6900 14.1630 H 44 GLN181 0.000
629 HA 15.6550 10.1340 13.0060 H 44 GLN181 0.000
630 HB2 17.6650 8.2780 12.3750 H 44 GLN181 0.000
631 HB3 17.3210 9.4660 11.4250 H 44 GLN181 0.000
632 HG2 17.8820 10.9860 13.2180 H 44 GLN181 0.000
633 HG3 18.3530 9.7610 14.0600 H 44 GLN181 0.000
634 HE21 19.8210 8.3360 12.2400 H 44 GLN181 0.000
635 HE22 21.0270 9.1000 11.8170 H 44 GLN181 0.000
636 N 15.7800 8.4950 14.1650 N.am 44 GLN181 0.000 BACKBONE
637 CA 15.8910 9.2000 12.8900 C.3 44 GLN181 0.000 BACKBONE
638 C 14.9350 8.5060 11.9080 C.2 44 GLN181 0.000 BACKBONE
639 O 14.7010 7.2980 12.0000 O.2 44 GLN181 0.000 BACKBONE
640 CB 17.3250 9.1860 12.3540 C.3 44 GLN181 0.000
641 CG 18.2740 10.1010 13.1550 C.3 44 GLN181 0.000
642 CD 19.6590 10.2140 12.5460 C.2 44 GLN181 0.000
643 OE1 20.2070 11.3050 12.4470 O.2 44 GLN181 0.000
644 NE2 20.2370 9.0840 12.1550 N.am 44 GLN181 0.000
645 H 14.5010 10.1330 10.9340 H 45 VAL182 0.000
646 HA 13.4980 7.7840 10.0530 H 45 VAL182 0.000
647 HB 11.9190 10.1520 10.2710 H 45 VAL182 0.000
648 HG11 10.1050 8.8770 9.4880 H 45 VAL182 0.000
649 HG12 11.2560 8.9170 8.4010 H 45 VAL182 0.000
650 HG13 11.0650 7.6310 9.3050 H 45 VAL182 0.000
651 HG21 10.6560 9.0250 11.8890 H 45 VAL182 0.000
652 HG22 11.6330 7.7840 11.7820 H 45 VAL182 0.000
653 HG23 12.1610 9.1590 12.3620 H 45 VAL182 0.000
654 N 14.3630 9.2860 10.9970 N.am 45 VAL182 0.000 BACKBONE
655 CA 13.4350 8.7510 10.0110 C.3 45 VAL182 0.000 BACKBONE
656 C 13.8020 9.2400 8.6100 C.2 45 VAL182 0.000 BACKBONE
657 O 14.1180 10.4250 8.4110 O.2 45 VAL182 0.000 BACKBONE
658 CB 11.9690 9.1840 10.3180 C.3 45 VAL182 0.000
659 CG1 11.0120 8.5990 9.2840 C.3 45 VAL182 0.000
660 CG2 11.5690 8.7490 11.7130 C.3 45 VAL182 0.000
661 H 13.5910 7.4840 7.7970 H 46 GLY183 0.000
662 HA2 14.2510 9.5910 6.1750 H 46 GLY183 0.000
663 HA3 14.8380 8.1630 5.9540 H 46 GLY183 0.000
664 N 13.7740 8.3130 7.6580 N.am 46 GLY183 0.000 BACKBONE
665 CA 14.0590 8.6450 6.2730 C.3 46 GLY183 0.000 BACKBONE
666 C 12.8260 8.2600 5.4880 C.2 46 GLY183 0.000 BACKBONE
667 O 12.1240 7.3280 5.8880 O.2 46 GLY183 0.000 BACKBONE
668 H 13.0020 9.6500 4.1340 H 47 LEU184 0.000
669 HA 10.9930 7.8640 3.9450 H 47 LEU184 0.000
670 HB2 10.0660 9.9380 4.5610 H 47 LEU184 0.000
671 HB3 10.7530 10.6340 3.3460 H 47 LEU184 0.000
672 HG 9.2920 9.5080 1.8650 H 47 LEU184 0.000
673 HD11 7.5010 8.2410 2.6480 H 47 LEU184 0.000
674 HD12 8.8730 7.5650 3.0590 H 47 LEU184 0.000
675 HD13 8.0430 8.3840 4.1300 H 47 LEU184 0.000
676 HD21 7.3500 10.7240 2.4440 H 47 LEU184 0.000
677 HD22 7.9290 10.9420 3.9020 H 47 LEU184 0.000
678 HD23 8.6350 11.6240 2.6600 H 47 LEU184 0.000
679 N 12.5350 8.9810 4.4060 N.am 47 LEU184 0.000 BACKBONE
680 CA 11.3620 8.6800 3.5720 C.3 47 LEU184 0.000 BACKBONE
681 C 11.7040 8.4120 2.1060 C.2 47 LEU184 0.000 BACKBONE
682 O 12.3420 9.2370 1.4450 O.2 47 LEU184 0.000 BACKBONE
683 CB 10.3250 9.8130 3.6350 C.3 47 LEU184 0.000
684 CG 9.0460 9.6120 2.7970 C.3 47 LEU184 0.000
685 CD1 8.2970 8.3330 3.1950 C.3 47 LEU184 0.000
686 CD2 8.1600 10.8360 2.9660 C.3 47 LEU184 0.000
687 H 10.8700 6.6630 2.1030 H 48 ILE185 0.000
688 HA 11.9290 7.5360 -0.2540 H 48 ILE185 0.000
689 HB 11.9940 4.8730 0.7250 H 48 ILE185 0.000
690 HD11 15.6240 4.9120 0.8990 H 48 ILE185 0.000
691 HD12 14.3900 3.9750 1.2270 H 48 ILE185 0.000
692 HD13 14.7960 4.2520 -0.2790 H 48 ILE185 0.000
693 HG12 14.1850 6.5200 -0.0140 H 48 ILE185 0.000
694 HG13 13.7850 6.2480 1.4680 H 48 ILE185 0.000
695 HG21 12.8900 4.1970 -1.3530 H 48 ILE185 0.000
696 HG22 11.4270 4.7690 -1.5510 H 48 ILE185 0.000
697 HG23 12.6820 5.6630 -1.9170 H 48 ILE185 0.000
698 N 11.2830 7.2470 1.6250 N.am 48 ILE185 0.000 BACKBONE
699 CA 11.4760 6.8380 0.2440 C.3 48 ILE185 0.000 BACKBONE
700 C 10.0670 6.5250 -0.2950 C.2 48 ILE185 0.000 BACKBONE
701 O 9.2920 5.8190 0.3560 O.2 48 ILE185 0.000 BACKBONE
702 CB 12.3610 5.5500 0.1350 C.3 48 ILE185 0.000
703 CG1 13.8090 5.8540 0.5820 C.3 48 ILE185 0.000
704 CG2 12.3380 4.9930 -1.3050 C.3 48 ILE185 0.000
705 CD1 14.7400 4.6370 0.6100 C.3 48 ILE185 0.000
706 H 10.2160 7.6710 -1.8570 H 49 GLN186 0.000
707 HA 7.8530 6.3180 -1.4980 H 49 GLN186 0.000
708 HB2 8.2590 8.8150 -2.7060 H 49 GLN186 0.000
709 HB3 6.9470 8.0080 -2.9490 H 49 GLN186 0.000
710 HG2 6.4410 8.0650 -0.6610 H 49 GLN186 0.000
711 HG3 7.8010 8.7610 -0.3510 H 49 GLN186 0.000
712 HE21 5.9340 9.8260 -2.9860 H 49 GLN186 0.000
713 HE22 5.4870 11.1320 -2.4270 H 49 GLN186 0.000
714 N 9.7170 7.1130 -1.4330 N.am 49 GLN186 0.000 BACKBONE
715 CA 8.4230 6.8530 -2.0720 C.3 49 GLN186 0.000 BACKBONE
716 C 8.6940 6.0920 -3.3560 C.2 49 GLN186 0.000 BACKBONE
717 O 9.7680 6.2460 -3.9750 O.2 49 GLN186 0.000 BACKBONE
718 CB 7.6640 8.1580 -2.3130 C.3 49 GLN186 0.000
719 CG 7.0890 8.6990 -1.0060 C.3 49 GLN186 0.000
720 CD 6.4270 10.0540 -1.1420 C.2 49 GLN186 0.000
721 OE1 6.3840 10.7970 -0.1780 O.2 49 GLN186 0.000
722 NE2 5.8840 10.3760 -2.3270 N.am 49 GLN186 0.000
723 H 7.0280 5.0670 -3.3370 H 50 TYR187 0.000
724 HA 8.4720 5.0330 -5.5390 H 50 TYR187 0.000
725 HB2 9.2830 2.8430 -5.3450 H 50 TYR187 0.000
726 HB3 9.4870 3.4090 -3.9060 H 50 TYR187 0.000
727 HD1 7.8260 2.7580 -2.1110 H 50 TYR187 0.000
728 HD2 7.7660 0.9790 -5.7130 H 50 TYR187 0.000
729 HE1 6.4190 1.1100 -1.2780 H 50 TYR187 0.000
730 HE2 6.3620 -0.6720 -4.8760 H 50 TYR187 0.000
731 HH 5.6130 -1.6340 -2.8930 H 50 TYR187 0.000
732 N 7.7720 5.2160 -3.7410 N.am 50 TYR187 0.000 BACKBONE
733 CA 8.0080 4.4260 -4.9420 C.3 50 TYR187 0.000 BACKBONE
734 C 6.7670 3.9430 -5.6940 C.2 50 TYR187 0.000 BACKBONE
735 O 5.6670 3.8500 -5.1370 O.2 50 TYR187 0.000 BACKBONE
736 CB 8.8130 3.1700 -4.5620 C.3 50 TYR187 0.000
737 CG 7.9430 2.0620 -4.0030 C.ar 50 TYR187 0.000
738 CD1 7.5340 2.0760 -2.6720 C.ar 50 TYR187 0.000
739 CD2 7.4970 1.0110 -4.8230 C.ar 50 TYR187 0.000
740 CE1 6.6920 1.0820 -2.1660 C.ar 50 TYR187 0.000
741 CE2 6.6580 0.0150 -4.3240 C.ar 50 TYR187 0.000
742 CZ 6.2700 0.0650 -2.9850 C.ar 50 TYR187 0.000
743 OH 5.4810 -0.9200 -2.4710 O.3 50 TYR187 0.000
744 H 7.8050 3.5850 -7.2830 H 51 ALA188 0.000
745 HA 5.4440 2.2950 -7.3950 H 51 ALA188 0.000
746 HB1 4.4360 3.5520 -8.9860 H 51 ALA188 0.000
747 HB2 4.6040 4.4160 -7.6700 H 51 ALA188 0.000
748 HB3 5.5810 4.6430 -8.8960 H 51 ALA188 0.000
749 N 7.0230 3.5280 -6.9300 N.am 51 ALA188 0.000 BACKBONE
750 CA 6.0300 2.9330 -7.8310 C.3 51 ALA188 0.000 BACKBONE
751 C 6.9070 2.3040 -8.9130 C.2 51 ALA188 0.000 BACKBONE
752 O 7.4720 1.2350 -8.6870 O.2 51 ALA188 0.000 BACKBONE
753 CB 5.0760 3.9810 -8.3970 C.3 51 ALA188 0.000
754 H 6.7610 3.7420 -10.2260 H 52 ASN189 0.000
755 HA 7.6270 1.5170 -11.2930 H 52 ASN189 0.000
756 HB2 8.0290 4.1880 -12.1820 H 52 ASN189 0.000
757 HB3 8.5620 2.9800 -13.0120 H 52 ASN189 0.000
758 HD21 5.7840 2.6700 -14.7800 H 52 ASN189 0.000
759 HD22 7.2720 2.6150 -14.7530 H 52 ASN189 0.000
760 N 7.1030 2.9730 -10.0500 N.am 52 ASN189 0.000 BACKBONE
761 CA 7.9500 2.4150 -11.1180 C.3 52 ASN189 0.000 BACKBONE
762 C 9.4120 2.3840 -10.6820 C.2 52 ASN189 0.000 BACKBONE
763 O 10.1630 1.4530 -11.0360 O.2 52 ASN189 0.000 BACKBONE
764 CB 7.8630 3.2570 -12.3990 C.3 52 ASN189 0.000
765 CG 6.5160 3.1370 -13.0880 C.2 52 ASN189 0.000
766 OD1 5.4870 3.3610 -12.4760 O.2 52 ASN189 0.000
767 ND2 6.5250 2.7640 -14.3540 N.am 52 ASN189 0.000
768 H 9.2550 4.0320 -9.6690 H 53 ASN190 0.000
769 HA 11.6090 2.7150 -9.4430 H 53 ASN190 0.000
770 HB2 11.3070 5.4240 -10.2970 H 53 ASN190 0.000
771 HB3 12.6850 4.9060 -9.7830 H 53 ASN190 0.000
772 HD21 11.7940 4.5770 -13.4260 H 53 ASN190 0.000
773 HD22 11.1300 5.4920 -12.4560 H 53 ASN190 0.000
774 N 9.7910 3.4060 -9.9130 N.am 53 ASN190 0.000 BACKBONE
775 CA 11.1590 3.5730 -9.4010 C.3 53 ASN190 0.000 BACKBONE
776 C 11.1280 4.0930 -7.9730 C.2 53 ASN190 0.000 BACKBONE
777 O 10.1130 4.6420 -7.5460 O.2 53 ASN190 0.000 BACKBONE
778 CB 11.8700 4.6370 -10.2350 C.3 53 ASN190 0.000
779 CG 12.2030 4.1610 -11.6090 C.2 53 ASN190 0.000
780 OD1 12.9440 3.1960 -11.7740 O.2 53 ASN190 0.000
781 ND2 11.6430 4.8210 -12.6150 N.am 53 ASN190 0.000
782 HA 11.5450 4.2360 -5.2500 H 54 PRO191 0.000
783 HB2 14.3460 4.2290 -5.3040 H 54 PRO191 0.000
784 HB3 13.4420 3.4050 -4.3360 H 54 PRO191 0.000
785 HD2 14.0850 3.4340 -7.9390 H 54 PRO191 0.000
786 HD3 13.0730 2.2580 -8.0970 H 54 PRO191 0.000
787 HG2 14.6380 2.1310 -6.1080 H 54 PRO191 0.000
788 HG3 13.1520 1.7370 -5.8450 H 54 PRO191 0.000
789 N 12.2310 3.8960 -7.1990 N.am 54 PRO191 0.000 BACKBONE
790 CA 12.3250 4.3800 -5.8080 C.3 54 PRO191 0.000 BACKBONE
791 C 12.6370 5.8660 -5.9470 C.2 54 PRO191 0.000 BACKBONE
792 O 13.2960 6.2790 -6.9010 O.2 54 PRO191 0.000 BACKBONE
793 CB 13.5630 3.6580 -5.2650 C.3 54 PRO191 0.000
794 CG 13.7270 2.4650 -6.1280 C.3 54 PRO191 0.000
795 CD 13.3470 2.9770 -7.5060 C.3 54 PRO191 0.000
796 H 11.7410 6.4030 -4.3130 H 55 ARG192 0.000
797 HA 13.1670 8.3170 -5.6370 H 55 ARG192 0.000
798 HB2 10.8970 8.3340 -6.4480 H 55 ARG192 0.000
799 HB3 10.4230 8.6500 -4.9970 H 55 ARG192 0.000
800 HD2 10.3040 11.7020 -6.8580 H 55 ARG192 0.000
801 HD3 9.9140 10.2790 -7.3640 H 55 ARG192 0.000
802 HE 8.4720 10.0940 -5.6350 H 55 ARG192 0.000
803 HG2 11.4640 10.6930 -5.0520 H 55 ARG192 0.000
804 HG3 12.0940 10.3710 -6.4420 H 55 ARG192 0.000
805 HH11 9.8900 13.0700 -5.6170 H 55 ARG192 0.000
806 HH12 8.8910 13.7280 -4.7300 H 55 ARG192 0.000
807 HH21 6.8210 11.1830 -4.4880 H 55 ARG192 0.000
808 HH22 7.0370 12.5890 -4.0470 H 55 ARG192 0.000
809 N 12.1850 6.6670 -5.0010 N.am 55 ARG192 0.000 BACKBONE
810 CA 12.4170 8.0970 -5.0630 C.3 55 ARG192 0.000 BACKBONE
811 C 12.6970 8.5760 -3.6240 C.2 55 ARG192 0.000 BACKBONE
812 O 11.8190 8.4870 -2.7700 O.2 55 ARG192 0.000 BACKBONE
813 CB 11.1520 8.7770 -5.6240 C.3 55 ARG192 0.000
814 CG 11.3110 10.2260 -5.8880 C.3 55 ARG192 0.000
815 CD 10.1050 10.7980 -6.5670 C.3 55 ARG192 0.000
816 NE 8.9210 10.8220 -5.7210 N.pl3 55 ARG192 0.000
817 CZ 8.4910 11.8990 -5.0740 C.cat 55 ARG192 0.000
818 NH1 9.1700 13.0310 -5.1490 N.pl3 55 ARG192 0.500
819 NH2 7.3110 11.8890 -4.4650 N.pl3 55 ARG192 0.500
820 H 14.5540 9.0880 -3.9370 H 56 VAL193 0.000
821 HA 13.9590 8.8840 -1.3700 H 56 VAL193 0.000
822 HB 16.1780 10.1940 -2.5820 H 56 VAL193 0.000
823 HG11 17.2130 10.1950 -0.4690 H 56 VAL193 0.000
824 HG12 15.8750 11.0420 -0.4240 H 56 VAL193 0.000
825 HG13 15.9020 9.5720 0.1660 H 56 VAL193 0.000
826 HG21 17.4340 8.2950 -1.9720 H 56 VAL193 0.000
827 HG22 16.1260 7.6320 -1.3750 H 56 VAL193 0.000
828 HG23 16.2470 7.8800 -2.9340 H 56 VAL193 0.000
829 N 13.9220 9.0410 -3.3550 N.am 56 VAL193 0.000 BACKBONE
830 CA 14.2970 9.5190 -2.0210 C.3 56 VAL193 0.000 BACKBONE
831 C 13.6690 10.8850 -1.7300 C.2 56 VAL193 0.000 BACKBONE
832 O 13.8750 11.8290 -2.4760 O.2 56 VAL193 0.000 BACKBONE
833 CB 15.8520 9.6010 -1.8870 C.3 56 VAL193 0.000
834 CG1 16.2460 10.1520 -0.5320 C.3 56 VAL193 0.000
835 CG2 16.4700 8.2290 -2.0570 C.3 56 VAL193 0.000
836 H 12.6340 10.3100 -0.1770 H 57 VAL194 0.000
837 HA 12.0600 12.7760 -1.1040 H 57 VAL194 0.000
838 HB 10.9170 11.5150 1.1320 H 57 VAL194 0.000
839 HG11 9.3210 13.2510 1.0750 H 57 VAL194 0.000
840 HG12 10.7640 13.8590 1.3110 H 57 VAL194 0.000
841 HG13 10.1000 13.9320 -0.1250 H 57 VAL194 0.000
842 HG21 9.0620 11.1470 -0.2720 H 57 VAL194 0.000
843 HG22 9.8530 11.7920 -1.4830 H 57 VAL194 0.000
844 HG23 10.3360 10.4170 -0.8650 H 57 VAL194 0.000
845 N 12.8410 10.9740 -0.6840 N.am 57 VAL194 0.000 BACKBONE
846 CA 12.2090 12.2350 -0.3130 C.3 57 VAL194 0.000 BACKBONE
847 C 13.1510 12.9220 0.6630 C.2 57 VAL194 0.000 BACKBONE
848 O 13.5200 14.0680 0.4460 O.2 57 VAL194 0.000 BACKBONE
849 CB 10.8270 12.0320 0.3160 C.3 57 VAL194 0.000
850 CG1 10.1940 13.3950 0.6780 C.3 57 VAL194 0.000
851 CG2 9.9390 11.2790 -0.6650 C.3 57 VAL194 0.000
852 H 13.1680 11.4640 1.9520 H 58 PHE195 0.000
853 HA 15.0970 13.2870 2.2330 H 58 PHE195 0.000
854 HB2 14.5770 14.0600 4.3390 H 58 PHE195 0.000
855 HB3 13.5280 14.5200 3.2800 H 58 PHE195 0.000
856 HD1 13.8830 11.9220 5.7060 H 58 PHE195 0.000
857 HD2 11.2540 14.2970 3.8260 H 58 PHE195 0.000
858 HE1 12.2090 11.1840 7.1240 H 58 PHE195 0.000
859 HE2 9.5780 13.5610 5.2570 H 58 PHE195 0.000
860 HZ 10.0540 11.9970 6.8990 H 58 PHE195 0.000
861 N 13.4910 12.2360 1.7550 N.am 58 PHE195 0.000 BACKBONE
862 CA 14.4640 12.7490 2.7330 C.3 58 PHE195 0.000 BACKBONE
863 C 15.2550 11.6100 3.3780 C.2 58 PHE195 0.000 BACKBONE
864 O 14.8010 10.4540 3.4100 O.2 58 PHE195 0.000 BACKBONE
865 CB 13.8640 13.7470 3.7600 C.3 58 PHE195 0.000
866 CG 12.7560 13.1980 4.6180 C.ar 58 PHE195 0.000
867 CD1 13.0210 12.2570 5.6110 C.ar 58 PHE195 0.000
868 CD2 11.4530 13.6760 4.4890 C.ar 58 PHE195 0.000
869 CE1 12.0150 11.8100 6.4640 C.ar 58 PHE195 0.000
870 CE2 10.4430 13.2300 5.3470 C.ar 58 PHE195 0.000
871 CZ 10.7270 12.2960 6.3310 C.ar 58 PHE195 0.000
872 H 16.8420 12.6830 3.7400 H 59 ASN196 0.000
873 HA 17.0040 10.0220 4.0990 H 59 ASN196 0.000
874 HB2 18.9790 12.0590 4.1300 H 59 ASN196 0.000
875 HB3 19.3430 10.6380 4.6590 H 59 ASN196 0.000
876 HD21 20.1820 11.2040 1.1880 H 59 ASN196 0.000
877 HD22 20.2610 12.1380 2.3450 H 59 ASN196 0.000
878 N 16.4800 11.9050 3.8000 N.am 59 ASN196 0.000 BACKBONE
879 CA 17.3160 10.8840 4.4150 C.3 59 ASN196 0.000 BACKBONE
880 C 17.2260 10.9410 5.9250 C.2 59 ASN196 0.000 BACKBONE
881 O 16.6900 11.9050 6.4770 O.2 59 ASN196 0.000 BACKBONE
882 CB 18.7720 11.1160 4.0370 C.3 59 ASN196 0.000
883 CG 19.0890 10.6790 2.6440 C.2 59 ASN196 0.000
884 OD1 18.6070 9.6610 2.1790 O.2 59 ASN196 0.000
885 ND2 19.9420 11.4260 1.9830 N.am 59 ASN196 0.000
886 H 18.1580 9.2560 6.1760 H 60 LEU197 0.000
887 HA 16.9450 9.7090 8.3930 H 60 LEU197 0.000
888 HB2 19.5370 8.6700 7.9490 H 60 LEU197 0.000
889 HB3 18.9400 8.7250 9.3880 H 60 LEU197 0.000
890 HG 17.7560 7.1510 7.3830 H 60 LEU197 0.000
891 HD11 18.8330 5.2930 8.2590 H 60 LEU197 0.000
892 HD12 19.8880 6.3290 7.6920 H 60 LEU197 0.000
893 HD13 19.6370 6.2300 9.2520 H 60 LEU197 0.000
894 HD21 16.7070 6.0680 9.1920 H 60 LEU197 0.000
895 HD22 17.4470 7.0440 10.1960 H 60 LEU197 0.000
896 HD23 16.3540 7.6120 9.2010 H 60 LEU197 0.000
897 N 17.7900 9.9220 6.5770 N.am 60 LEU197 0.000 BACKBONE
898 CA 17.8440 9.8260 8.0470 C.3 60 LEU197 0.000 BACKBONE
899 C 18.4450 11.1210 8.6370 C.2 60 LEU197 0.000 BACKBONE
900 O 18.0350 11.5860 9.7070 O.2 60 LEU197 0.000 BACKBONE
901 CB 18.7090 8.6200 8.4520 C.3 60 LEU197 0.000
902 CG 18.1420 7.2140 8.2710 C.3 60 LEU197 0.000
903 CD1 19.2200 6.1750 8.3780 C.3 60 LEU197 0.000
904 CD2 17.0660 6.9620 9.3080 C.3 60 LEU197 0.000
905 H 19.6640 11.2910 7.1570 H 61 ASN198 0.000
906 HA 20.5140 12.7560 9.0580 H 61 ASN198 0.000
907 HB2 20.8910 12.6930 6.2350 H 61 ASN198 0.000
908 HB3 21.3210 14.0430 6.8870 H 61 ASN198 0.000
909 HD21 24.2160 12.1920 6.5980 H 61 ASN198 0.000
910 HD22 23.2490 12.8470 5.6740 H 61 ASN198 0.000
911 N 19.4120 11.6620 7.8910 N.am 61 ASN198 0.000 BACKBONE
912 CA 20.1660 12.8930 8.1630 C.3 61 ASN198 0.000 BACKBONE
913 C 19.3660 14.1780 8.1300 C.2 61 ASN198 0.000 BACKBONE
914 O 19.4280 14.9950 9.0400 O.2 61 ASN198 0.000 BACKBONE
915 CB 21.2140 13.0940 7.0570 C.3 61 ASN198 0.000
916 CG 22.5220 12.5130 7.3980 C.2 61 ASN198 0.000
917 OD1 22.7280 12.0590 8.5150 O.2 61 ASN198 0.000
918 ND2 23.4350 12.5180 6.4460 N.am 61 ASN198 0.000
919 H 18.7530 13.8110 6.3400 H 62 THR199 0.000
920 HA 18.7010 16.1640 6.3380 H 62 THR199 0.000
921 HB 16.1620 14.8620 5.9730 H 62 THR199 0.000
922 HG1 17.3750 14.5800 3.8370 H 62 THR199 0.000
923 HG21 15.8810 16.2750 4.1130 H 62 THR199 0.000
924 HG22 16.1470 17.1450 5.4100 H 62 THR199 0.000
925 HG23 17.3150 16.8980 4.3690 H 62 THR199 0.000
926 N 18.7430 14.3890 6.9760 N.am 62 THR199 0.000 BACKBONE
927 CA 17.9830 15.5840 6.6360 C.3 62 THR199 0.000 BACKBONE
928 C 17.3790 16.4990 7.7070 C.2 62 THR199 0.000 BACKBONE
929 O 17.7100 17.6880 7.7650 O.2 62 THR199 0.000 BACKBONE
930 CB 16.9460 15.2480 5.5520 C.3 62 THR199 0.000
931 OG1 17.5420 14.3310 4.6220 O.3 62 THR199 0.000
932 CG2 16.5350 16.5060 4.7920 C.3 62 THR199 0.000
933 H 16.2410 15.1490 8.5220 H 63 TYR200 0.000
934 HA 16.1790 17.6940 9.5020 H 63 TYR200 0.000
935 HB2 14.0070 15.8720 9.5090 H 63 TYR200 0.000
936 HB3 13.9270 17.3410 10.0280 H 63 TYR200 0.000
937 HD1 14.0600 19.2160 8.3300 H 63 TYR200 0.000
938 HD2 13.6150 15.4020 7.1750 H 63 TYR200 0.000
939 HE1 13.4400 19.9340 6.2200 H 63 TYR200 0.000
940 HE2 12.9910 16.1150 5.0530 H 63 TYR200 0.000
941 HH 12.6470 17.8630 3.6860 H 63 TYR200 0.000
942 N 16.4900 15.9720 8.5370 N.am 63 TYR200 0.000 BACKBONE
943 CA 15.8540 16.7820 9.5640 C.3 63 TYR200 0.000 BACKBONE
944 C 16.1890 16.2230 10.9320 C.2 63 TYR200 0.000 BACKBONE
945 O 16.1760 15.0110 11.1210 O.2 63 TYR200 0.000 BACKBONE
946 CB 14.3400 16.7710 9.3600 C.3 63 TYR200 0.000
947 CG 13.9130 17.2330 7.9860 C.ar 63 TYR200 0.000
948 CD1 13.8490 18.5890 7.6770 C.ar 63 TYR200 0.000
949 CD2 13.5830 16.3120 6.9870 C.ar 63 TYR200 0.000
950 CE1 13.4750 19.0240 6.4100 C.ar 63 TYR200 0.000
951 CE2 13.2060 16.7370 5.7100 C.ar 63 TYR200 0.000
952 CZ 13.1550 18.0940 5.4310 C.ar 63 TYR200 0.000
953 OH 12.8140 18.5260 4.1740 O.3 63 TYR200 0.000
954 H 16.5380 17.9530 11.7620 H 64 LYS201 0.000
955 HA 16.7920 15.6960 13.2520 H 64 LYS201 0.000
956 HB2 18.4440 16.7760 14.5170 H 64 LYS201 0.000
957 HB3 18.8800 16.6790 13.0230 H 64 LYS201 0.000
958 HD2 20.4120 19.1380 13.4040 H 64 LYS201 0.000
959 HD3 19.9650 18.1620 12.2730 H 64 LYS201 0.000
960 HE2 19.1020 20.8600 12.4200 H 64 LYS201 0.000
961 HE3 20.2270 20.3800 11.4530 H 64 LYS201 0.000
962 HG2 17.6690 19.0100 13.1810 H 64 LYS201 0.000
963 HG3 18.5170 18.9320 14.4880 H 64 LYS201 0.000
964 HZ1 18.4880 20.2840 10.1420 H 64 LYS201 0.000
965 HZ2 18.4570 18.9130 10.6230 H 64 LYS201 0.000
966 HZ3 17.5600 19.9030 11.1950 H 64 LYS201 0.000
967 N 16.5060 17.1020 11.8820 N.am 64 LYS201 0.000 BACKBONE
968 CA 16.8330 16.6650 13.2400 C.3 64 LYS201 0.000 BACKBONE
969 C 15.8250 17.1910 14.2530 C.2 64 LYS201 0.000 BACKBONE
970 O 16.0800 17.1970 15.4540 O.2 64 LYS201 0.000 BACKBONE
971 CB 18.2450 17.0990 13.6240 C.3 64 LYS201 0.000
972 CG 18.4420 18.5850 13.5850 C.3 64 LYS201 0.000
973 CD 19.6840 18.9270 12.7990 C.3 64 LYS201 0.000
974 CE 19.4060 20.1060 11.8910 C.3 64 LYS201 0.000
975 NZ 18.3730 19.7670 10.8580 N.4 64 LYS201 1.000
976 H 14.4640 17.5710 12.9230 H 65 THR202 0.000
977 HA 13.7960 17.8490 15.5180 H 65 THR202 0.000
978 HB 12.9200 19.8910 13.7940 H 65 THR202 0.000
979 HG1 14.9940 20.1470 13.4700 H 65 THR202 0.000
980 HG21 12.9120 21.1890 15.7470 H 65 THR202 0.000
981 HG22 12.0750 19.8640 15.9730 H 65 THR202 0.000
982 HG23 13.5450 19.9800 16.5500 H 65 THR202 0.000
983 N 14.6610 17.5940 13.7600 N.am 65 THR202 0.000 BACKBONE
984 CA 13.6010 18.1180 14.6070 C.3 65 THR202 0.000 BACKBONE
985 C 12.2660 17.5800 14.1140 C.2 65 THR202 0.000 BACKBONE
986 O 11.9710 17.6340 12.9150 O.2 65 THR202 0.000 BACKBONE
987 CB 13.5130 19.6550 14.5240 C.3 65 THR202 0.000
988 OG1 14.8120 20.2000 14.2880 O.3 65 THR202 0.000
989 CG2 12.9620 20.2230 15.8140 C.3 65 THR202 0.000
990 H 11.6870 17.0220 15.8760 H 66 LYS203 0.000
991 HA 10.2230 15.7770 14.1770 H 66 LYS203 0.000