-
Notifications
You must be signed in to change notification settings - Fork 2
/
Copy path5pti.pqr
1112 lines (1112 loc) · 70.1 KB
/
5pti.pqr
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
REMARK 1 PQR file generated by PDB2PQR (Version 2.1.1)
REMARK 1
REMARK 1 Command line used to generate this file:
REMARK 1 --with-ph=7.0 --ph-calc-method=propka --apbs-input --ff=charmm --verbose --summary 5pti.pdb 5pti.pqr
REMARK 1
REMARK 1 Forcefield Used: CHARMM
REMARK 1
REMARK 1 pKas calculated by propka and assigned using pH 7.00
REMARK 1
REMARK 5 WARNING: multiple occupancies found in GLU A 7,
REMARK 5 at least one of the instances is being ignored.
REMARK 5 WARNING: multiple occupancies found in MET A 52,
REMARK 5 at least one of the instances is being ignored.
REMARK 5
REMARK 5 WARNING: PDB2PQR was unable to assign charges
REMARK 5 to the following atoms (omitted below):
REMARK 5 911 P in PO4 70
REMARK 5 912 O1 in PO4 70
REMARK 5 913 O2 in PO4 70
REMARK 5 914 O3 in PO4 70
REMARK 5 915 O4 in PO4 70
REMARK 5 916 UNK in UNX 324
REMARK 5 917 O in DOD 80
REMARK 5 918 D1 in DOD 80
REMARK 5 919 D2 in DOD 80
REMARK 5 920 O in DOD 101
REMARK 5 921 D1 in DOD 101
REMARK 5 922 D2 in DOD 101
REMARK 5 923 O in DOD 102
REMARK 5 924 D1 in DOD 102
REMARK 5 925 D2 in DOD 102
REMARK 5 926 O in DOD 105
REMARK 5 927 D1 in DOD 105
REMARK 5 928 D2 in DOD 105
REMARK 5 929 O in DOD 110
REMARK 5 930 D1 in DOD 110
REMARK 5 931 D2 in DOD 110
REMARK 5 932 O in DOD 111
REMARK 5 933 D1 in DOD 111
REMARK 5 934 D2 in DOD 111
REMARK 5 935 O in DOD 112
REMARK 5 936 D1 in DOD 112
REMARK 5 937 D2 in DOD 112
REMARK 5 938 O in DOD 113
REMARK 5 939 D1 in DOD 113
REMARK 5 940 D2 in DOD 113
REMARK 5 941 O in DOD 116
REMARK 5 942 D1 in DOD 116
REMARK 5 943 D2 in DOD 116
REMARK 5 944 O in DOD 117
REMARK 5 945 D1 in DOD 117
REMARK 5 946 D2 in DOD 117
REMARK 5 947 O in DOD 119
REMARK 5 948 D1 in DOD 119
REMARK 5 949 D2 in DOD 119
REMARK 5 950 O in DOD 121
REMARK 5 951 D1 in DOD 121
REMARK 5 952 D2 in DOD 121
REMARK 5 953 O in DOD 122
REMARK 5 954 D1 in DOD 122
REMARK 5 955 D2 in DOD 122
REMARK 5 956 O in DOD 125
REMARK 5 957 D1 in DOD 125
REMARK 5 958 D2 in DOD 125
REMARK 5 959 O in DOD 126
REMARK 5 960 D1 in DOD 126
REMARK 5 961 D2 in DOD 126
REMARK 5 962 O in DOD 127
REMARK 5 963 D1 in DOD 127
REMARK 5 964 D2 in DOD 127
REMARK 5 965 O in DOD 129
REMARK 5 966 D1 in DOD 129
REMARK 5 967 D2 in DOD 129
REMARK 5 968 O in DOD 133
REMARK 5 969 D1 in DOD 133
REMARK 5 970 D2 in DOD 133
REMARK 5 971 O in DOD 134
REMARK 5 972 D1 in DOD 134
REMARK 5 973 D2 in DOD 134
REMARK 5 974 O in DOD 138
REMARK 5 975 D1 in DOD 138
REMARK 5 976 D2 in DOD 138
REMARK 5 977 O in DOD 140
REMARK 5 978 D1 in DOD 140
REMARK 5 979 D2 in DOD 140
REMARK 5 980 O in DOD 143
REMARK 5 981 D1 in DOD 143
REMARK 5 982 D2 in DOD 143
REMARK 5 983 O in DOD 144
REMARK 5 984 D1 in DOD 144
REMARK 5 985 D2 in DOD 144
REMARK 5 986 O in DOD 145
REMARK 5 987 D1 in DOD 145
REMARK 5 988 D2 in DOD 145
REMARK 5 989 O in DOD 146
REMARK 5 990 D1 in DOD 146
REMARK 5 991 D2 in DOD 146
REMARK 5 992 O in DOD 156
REMARK 5 993 D1 in DOD 156
REMARK 5 994 D2 in DOD 156
REMARK 5 995 O in DOD 157
REMARK 5 996 D1 in DOD 157
REMARK 5 997 D2 in DOD 157
REMARK 5 998 O in DOD 158
REMARK 5 999 D1 in DOD 158
REMARK 5 1000 D2 in DOD 158
REMARK 5 1001 O in DOD 159
REMARK 5 1002 D1 in DOD 159
REMARK 5 1003 D2 in DOD 159
REMARK 5 1004 O in DOD 160
REMARK 5 1005 D1 in DOD 160
REMARK 5 1006 D2 in DOD 160
REMARK 5 1007 O in DOD 200
REMARK 5 1008 D1 in DOD 200
REMARK 5 1009 D2 in DOD 200
REMARK 5 1010 O in DOD 201
REMARK 5 1011 D1 in DOD 201
REMARK 5 1012 D2 in DOD 201
REMARK 5 1013 O in DOD 202
REMARK 5 1014 D1 in DOD 202
REMARK 5 1015 D2 in DOD 202
REMARK 5 1016 O in DOD 203
REMARK 5 1017 D1 in DOD 203
REMARK 5 1018 D2 in DOD 203
REMARK 5 1019 O in DOD 204
REMARK 5 1020 D1 in DOD 204
REMARK 5 1021 D2 in DOD 204
REMARK 5 1022 O in DOD 205
REMARK 5 1023 D1 in DOD 205
REMARK 5 1024 D2 in DOD 205
REMARK 5 1025 O in DOD 209
REMARK 5 1026 D1 in DOD 209
REMARK 5 1027 D2 in DOD 209
REMARK 5 1028 O in DOD 210
REMARK 5 1029 D1 in DOD 210
REMARK 5 1030 D2 in DOD 210
REMARK 5 1031 O in DOD 211
REMARK 5 1032 D1 in DOD 211
REMARK 5 1033 D2 in DOD 211
REMARK 5 1034 O in DOD 212
REMARK 5 1035 D1 in DOD 212
REMARK 5 1036 D2 in DOD 212
REMARK 5 1037 O in DOD 214
REMARK 5 1038 D1 in DOD 214
REMARK 5 1039 D2 in DOD 214
REMARK 5 1040 O in DOD 216
REMARK 5 1041 D1 in DOD 216
REMARK 5 1042 D2 in DOD 216
REMARK 5 1043 O in DOD 217
REMARK 5 1044 D1 in DOD 217
REMARK 5 1045 D2 in DOD 217
REMARK 5 1046 O in DOD 218
REMARK 5 1047 D1 in DOD 218
REMARK 5 1048 D2 in DOD 218
REMARK 5 1049 O in DOD 219
REMARK 5 1050 D1 in DOD 219
REMARK 5 1051 D2 in DOD 219
REMARK 5 1052 O in DOD 220
REMARK 5 1053 D1 in DOD 220
REMARK 5 1054 D2 in DOD 220
REMARK 5 1055 O in DOD 223
REMARK 5 1056 D1 in DOD 223
REMARK 5 1057 D2 in DOD 223
REMARK 5 1058 O in DOD 225
REMARK 5 1059 D1 in DOD 225
REMARK 5 1060 D2 in DOD 225
REMARK 5 1061 O in DOD 302
REMARK 5 1062 D1 in DOD 302
REMARK 5 1063 D2 in DOD 302
REMARK 5 1064 O in DOD 304
REMARK 5 1065 D1 in DOD 304
REMARK 5 1066 D2 in DOD 304
REMARK 5 1067 O in DOD 310
REMARK 5 1068 D1 in DOD 310
REMARK 5 1069 D2 in DOD 310
REMARK 5 1070 O in DOD 311
REMARK 5 1071 D1 in DOD 311
REMARK 5 1072 D2 in DOD 311
REMARK 5 1073 O in DOD 312
REMARK 5 1074 D1 in DOD 312
REMARK 5 1075 D2 in DOD 312
REMARK 5 1076 O in DOD 313
REMARK 5 1077 D1 in DOD 313
REMARK 5 1078 D2 in DOD 313
REMARK 5 1079 O in DOD 314
REMARK 5 1080 D1 in DOD 314
REMARK 5 1081 D2 in DOD 314
REMARK 5 1082 O in DOD 315
REMARK 5 1083 D1 in DOD 315
REMARK 5 1084 D2 in DOD 315
REMARK 5 1085 O in DOD 316
REMARK 5 1086 D1 in DOD 316
REMARK 5 1087 D2 in DOD 316
REMARK 5 1088 O in DOD 317
REMARK 5 1089 D1 in DOD 317
REMARK 5 1090 D2 in DOD 317
REMARK 5 1091 O in DOD 318
REMARK 5 1092 D1 in DOD 318
REMARK 5 1093 D2 in DOD 318
REMARK 5 1094 O in DOD 319
REMARK 5 1095 D1 in DOD 319
REMARK 5 1096 D2 in DOD 319
REMARK 5 1097 O in DOD 320
REMARK 5 1098 D1 in DOD 320
REMARK 5 1099 D2 in DOD 320
REMARK 5 1100 O in DOD 321
REMARK 5 1101 D1 in DOD 321
REMARK 5 1102 D2 in DOD 321
REMARK 5 1103 O in DOD 322
REMARK 5 1104 D1 in DOD 322
REMARK 5 1105 D2 in DOD 322
REMARK 5 This is usually due to the fact that this residue is not
REMARK 5 an amino acid or nucleic acid; or, there are no parameters
REMARK 5 available for the specific protonation state of this
REMARK 5 residue in the selected forcefield.
REMARK 5
REMARK 6 Total charge on this protein: 6.0000 e
REMARK 6
ATOM 1 N ARG 1 32.231 15.281 -13.143 -0.3000 1.8500
ATOM 2 CA ARG 1 32.184 14.697 -11.772 0.2100 2.2750
ATOM 3 C ARG 1 33.438 13.890 -11.387 0.5100 2.0000
ATOM 4 O ARG 1 34.102 13.070 -12.066 -0.5100 1.7000
ATOM 5 CB ARG 1 30.797 14.065 -11.625 -0.1800 2.1750
ATOM 6 CG ARG 1 30.976 12.589 -11.819 -0.1800 2.1750
ATOM 7 CD ARG 1 29.608 12.016 -11.694 0.2000 2.1750
ATOM 8 NE ARG 1 28.942 12.335 -12.945 -0.7000 1.8500
ATOM 9 CZ ARG 1 27.670 12.696 -13.050 0.6400 2.0000
ATOM 10 NH1 ARG 1 26.901 12.777 -11.999 -0.8000 1.8500
ATOM 11 NH2 ARG 1 27.161 12.963 -14.255 -0.8000 1.8500
ATOM 12 HA ARG 1 32.192 15.563 -11.115 0.1000 1.3200
ATOM 13 HB2 ARG 1 30.392 14.428 -10.697 0.0900 1.3200
ATOM 14 HB3 ARG 1 30.182 14.438 -12.437 0.0900 1.3200
ATOM 15 HG2 ARG 1 31.369 12.359 -12.800 0.0900 1.3200
ATOM 16 HG3 ARG 1 31.591 12.143 -11.105 0.0900 1.3200
ATOM 17 HD2 ARG 1 29.656 10.965 -11.482 0.0900 1.3200
ATOM 18 HD3 ARG 1 29.218 12.381 -10.794 0.0900 1.3200
ATOM 19 HE ARG 1 29.484 12.278 -13.796 0.4400 0.2245
ATOM 20 HH22 ARG 1 26.201 13.217 -14.346 0.4600 0.2245
ATOM 21 HH21 ARG 1 27.745 12.909 -15.065 0.4600 0.2245
ATOM 22 H ARG 1 33.168 15.248 -13.480 0.3300 0.2245
ATOM 23 H2 ARG 1 31.637 14.752 -13.744 0.3300 0.2245
ATOM 24 H3 ARG 1 31.918 16.227 -13.106 0.3300 0.2245
ATOM 25 HH12 ARG 1 25.926 13.036 -12.096 0.4600 0.2245
ATOM 26 HH11 ARG 1 27.260 12.587 -11.082 0.4600 0.2245
ATOM 27 N PRO 2 33.738 14.173 -10.126 -0.2900 1.8500
ATOM 28 CA PRO 2 34.897 13.603 -9.390 0.0200 2.2750
ATOM 29 C PRO 2 34.652 12.135 -9.374 0.5100 2.0000
ATOM 30 O PRO 2 33.583 11.537 -9.255 -0.5100 1.7000
ATOM 31 CB PRO 2 34.826 14.292 -8.056 -0.1800 2.1750
ATOM 32 CG PRO 2 33.927 15.515 -8.135 -0.1800 2.1750
ATOM 33 CD PRO 2 32.967 15.143 -9.243 0.0000 2.1750
ATOM 34 HA PRO 2 35.676 14.152 -9.928 0.0900 1.3200
ATOM 35 HB2 PRO 2 34.431 13.672 -7.369 0.0900 1.3200
ATOM 36 HB3 PRO 2 35.763 14.517 -7.635 0.0900 1.3200
ATOM 37 HG2 PRO 2 33.695 15.873 -7.330 0.0900 1.3200
ATOM 38 HG3 PRO 2 34.491 16.303 -8.682 0.0900 1.3200
ATOM 39 HD2 PRO 2 32.028 14.742 -9.058 0.0900 1.3200
ATOM 40 HD3 PRO 2 32.880 16.031 -9.875 0.0900 1.3200
ATOM 41 N ASP 3 35.790 11.466 -9.466 -0.4700 1.8500
ATOM 42 CA ASP 3 35.837 10.014 -9.507 0.0700 2.2750
ATOM 43 C ASP 3 35.296 9.402 -8.236 0.5100 2.0000
ATOM 44 O ASP 3 34.812 8.288 -8.260 -0.5100 1.7000
ATOM 45 CB ASP 3 37.124 9.634 -10.244 -0.2800 2.1750
ATOM 46 CG ASP 3 36.968 9.957 -11.773 0.6200 2.0000
ATOM 47 OD1 ASP 3 37.083 11.141 -12.174 -0.7600 1.7000
ATOM 48 OD2 ASP 3 36.712 9.158 -12.735 -0.7600 1.7000
ATOM 49 HA ASP 3 35.144 9.745 -10.321 0.0900 1.3200
ATOM 50 HB2 ASP 3 37.980 10.245 -10.070 0.0900 1.3200
ATOM 51 HB3 ASP 3 37.455 8.626 -10.132 0.0900 1.3200
ATOM 52 H ASP 3 36.644 12.066 -9.506 0.3100 0.2245
ATOM 53 N PHE 4 35.466 10.210 -7.174 -0.4700 1.8500
ATOM 54 CA PHE 4 34.975 9.704 -5.855 0.0700 2.2750
ATOM 55 C PHE 4 33.438 9.514 -5.843 0.5100 2.0000
ATOM 56 O PHE 4 32.937 8.733 -5.020 -0.5100 1.7000
ATOM 57 CB PHE 4 35.435 10.423 -4.613 -0.1800 2.1750
ATOM 58 CG PHE 4 34.960 11.819 -4.512 0.0000 1.9924
ATOM 59 CD1 PHE 4 33.708 12.036 -3.946 -0.1150 1.9924
ATOM 60 CD2 PHE 4 35.717 12.897 -4.923 -0.1150 1.9924
ATOM 61 CE1 PHE 4 33.249 13.321 -3.826 -0.1150 1.9924
ATOM 62 CE2 PHE 4 35.276 14.180 -4.764 -0.1150 1.9924
ATOM 63 CZ PHE 4 33.998 14.423 -4.229 -0.1150 1.9924
ATOM 64 HA PHE 4 35.473 8.781 -5.789 0.0900 1.3200
ATOM 65 HB2 PHE 4 34.977 9.863 -3.723 0.0900 1.3200
ATOM 66 HB3 PHE 4 36.455 10.163 -4.400 0.0900 1.3200
ATOM 67 HD1 PHE 4 33.150 11.213 -3.635 0.1150 1.3582
ATOM 68 HD2 PHE 4 36.680 12.699 -5.370 0.1150 1.3582
ATOM 69 HE1 PHE 4 32.321 13.499 -3.366 0.1150 1.3582
ATOM 70 HE2 PHE 4 35.758 15.036 -5.065 0.1150 1.3582
ATOM 71 HZ PHE 4 33.588 15.411 -4.093 0.1150 1.3582
ATOM 72 H PHE 4 35.905 11.090 -7.325 0.3100 0.2245
ATOM 73 N CYS 5 32.757 10.236 -6.732 -0.4700 1.8500
ATOM 74 CA CYS 5 31.286 10.029 -6.794 0.0700 2.2750
ATOM 75 C CYS 5 30.864 8.652 -7.254 0.5100 2.0000
ATOM 76 O CYS 5 29.690 8.279 -7.116 -0.5100 1.7000
ATOM 77 CB CYS 5 30.794 11.065 -7.789 -0.1000 2.1750
ATOM 78 SG CYS 5 31.075 12.797 -7.325 -0.0800 1.9750
ATOM 79 HA CYS 5 30.964 10.266 -5.800 0.0900 1.3200
ATOM 80 HB2 CYS 5 31.501 10.869 -8.603 0.0900 1.3200
ATOM 81 HB3 CYS 5 29.793 10.892 -8.171 0.0900 1.3200
ATOM 82 H CYS 5 33.271 10.875 -7.307 0.3100 0.2245
ATOM 83 N LEU 6 31.740 7.909 -7.843 -0.4700 1.8500
ATOM 84 CA LEU 6 31.467 6.583 -8.351 0.0700 2.2750
ATOM 85 C LEU 6 31.799 5.589 -7.246 0.5100 2.0000
ATOM 86 O LEU 6 31.435 4.425 -7.543 -0.5100 1.7000
ATOM 87 CB LEU 6 32.345 6.258 -9.563 -0.1800 2.1750
ATOM 88 CG LEU 6 32.299 7.212 -10.787 -0.0900 2.2750
ATOM 89 CD1 LEU 6 33.160 6.693 -11.917 -0.2700 2.0600
ATOM 90 CD2 LEU 6 30.881 7.341 -11.280 -0.2700 2.0600
ATOM 91 HA LEU 6 30.422 6.406 -8.558 0.0900 1.3200
ATOM 92 HB2 LEU 6 33.392 6.256 -9.245 0.0900 1.3200
ATOM 93 HB3 LEU 6 32.141 5.230 -9.918 0.0900 1.3200
ATOM 94 HG LEU 6 32.550 8.192 -10.401 0.0900 1.3200
ATOM 95 HD11 LEU 6 34.189 6.620 -11.585 0.0900 1.3200
ATOM 96 HD12 LEU 6 32.719 5.718 -12.170 0.0900 1.3200
ATOM 97 HD13 LEU 6 33.064 7.391 -12.752 0.0900 1.3200
ATOM 98 HD21 LEU 6 30.328 6.553 -10.667 0.0900 1.3200
ATOM 99 HD22 LEU 6 30.078 8.051 -11.126 0.0900 1.3200
ATOM 100 HD23 LEU 6 30.861 7.064 -12.332 0.0900 1.3200
ATOM 101 H LEU 6 32.702 8.353 -7.931 0.3100 0.2245
ATOM 102 N GLU 7 32.397 5.971 -6.128 -0.4700 1.8500
ATOM 103 CA GLU 7 32.663 4.924 -5.112 0.0700 2.2750
ATOM 104 C GLU 7 31.435 4.576 -4.301 0.5100 2.0000
ATOM 105 O GLU 7 30.565 5.427 -4.120 -0.5100 1.7000
ATOM 106 CB GLU 7 33.865 5.265 -4.204 -0.1800 2.1750
ATOM 107 CG GLU 7 34.117 6.694 -3.781 -0.2800 2.1750
ATOM 108 CD GLU 7 34.935 7.120 -2.561 0.6200 2.0000
ATOM 109 OE1 GLU 7 36.104 6.753 -2.502 -0.7600 1.7000
ATOM 110 OE2 GLU 7 34.267 7.823 -1.815 -0.7600 1.7000
ATOM 111 HA GLU 7 32.837 4.055 -5.770 0.0900 1.3200
ATOM 112 HB2 GLU 7 33.913 4.637 -3.325 0.0900 1.3200
ATOM 113 HB3 GLU 7 34.757 4.929 -4.809 0.0900 1.3200
ATOM 114 HG2 GLU 7 34.689 7.248 -4.538 0.0900 1.3200
ATOM 115 HG3 GLU 7 33.221 7.296 -3.671 0.0900 1.3200
ATOM 116 H GLU 7 32.636 6.940 -6.029 0.3100 0.2245
ATOM 117 N PRO 8 31.351 3.333 -3.911 -0.2900 1.8500
ATOM 118 CA PRO 8 30.224 2.852 -3.086 0.0200 2.2750
ATOM 119 C PRO 8 30.334 3.516 -1.707 0.5100 2.0000
ATOM 120 O PRO 8 31.391 3.997 -1.293 -0.5100 1.7000
ATOM 121 CB PRO 8 30.283 1.334 -2.995 -0.1800 2.1750
ATOM 122 CG PRO 8 31.757 1.097 -3.199 -0.1800 2.1750
ATOM 123 CD PRO 8 32.313 2.218 -4.085 0.0000 2.1750
ATOM 124 HA PRO 8 29.270 3.086 -3.515 0.0900 1.3200
ATOM 125 HB2 PRO 8 29.909 0.979 -2.059 0.0900 1.3200
ATOM 126 HB3 PRO 8 29.773 0.877 -3.721 0.0900 1.3200
ATOM 127 HG2 PRO 8 32.262 1.339 -2.263 0.0900 1.3200
ATOM 128 HG3 PRO 8 31.885 0.245 -3.473 0.0900 1.3200
ATOM 129 HD2 PRO 8 33.271 2.433 -3.655 0.0900 1.3200
ATOM 130 HD3 PRO 8 32.442 2.084 -5.129 0.0900 1.3200
ATOM 131 N PRO 9 29.200 3.631 -1.017 -0.2900 1.8500
ATOM 132 CA PRO 9 29.160 4.238 0.321 0.0200 2.2750
ATOM 133 C PRO 9 29.993 3.377 1.274 0.5100 2.0000
ATOM 134 O PRO 9 30.074 2.152 1.156 -0.5100 1.7000
ATOM 135 CB PRO 9 27.687 4.418 0.604 -0.1800 2.1750
ATOM 136 CG PRO 9 27.075 3.186 -0.051 -0.1800 2.1750
ATOM 137 CD PRO 9 27.842 3.087 -1.403 0.0000 2.1750
ATOM 138 HA PRO 9 29.948 4.895 0.524 0.0900 1.3200
ATOM 139 HB2 PRO 9 27.561 4.500 1.669 0.0900 1.3200
ATOM 140 HB3 PRO 9 27.101 5.216 0.385 0.0900 1.3200
ATOM 141 HG2 PRO 9 27.438 2.371 0.555 0.0900 1.3200
ATOM 142 HG3 PRO 9 26.185 3.227 -0.191 0.0900 1.3200
ATOM 143 HD2 PRO 9 28.020 2.060 -1.684 0.0900 1.3200
ATOM 144 HD3 PRO 9 27.381 3.649 -2.145 0.0900 1.3200
ATOM 145 N TYR 10 30.651 4.022 2.200 -0.4700 1.8500
ATOM 146 CA TYR 10 31.512 3.320 3.156 0.0700 2.2750
ATOM 147 C TYR 10 31.044 3.577 4.617 0.5100 2.0000
ATOM 148 O TYR 10 31.146 4.687 5.117 -0.5100 1.7000
ATOM 149 CB TYR 10 32.937 3.888 2.901 -0.1800 2.1750
ATOM 150 CG TYR 10 33.970 3.270 3.808 0.0000 1.9924
ATOM 151 CD1 TYR 10 34.254 1.932 3.622 -0.1150 1.9924
ATOM 152 CD2 TYR 10 34.619 4.002 4.797 -0.1150 1.9924
ATOM 153 CE1 TYR 10 35.226 1.305 4.406 -0.1150 1.9924
ATOM 154 CE2 TYR 10 35.621 3.422 5.573 -0.1150 1.9924
ATOM 155 CZ TYR 10 35.896 2.071 5.383 0.1100 1.9924
ATOM 156 OH TYR 10 36.861 1.438 6.195 -0.5400 1.7700
ATOM 157 HA TYR 10 31.496 2.274 3.038 0.0900 1.3200
ATOM 158 HB2 TYR 10 33.209 3.682 1.839 0.0900 1.3200
ATOM 159 HB3 TYR 10 32.886 4.980 2.956 0.0900 1.3200
ATOM 160 HD1 TYR 10 33.815 1.318 2.852 0.1150 1.3582
ATOM 161 HD2 TYR 10 34.400 5.053 4.955 0.1150 1.3582
ATOM 162 HE1 TYR 10 35.521 0.270 4.282 0.1150 1.3582
ATOM 163 HE2 TYR 10 36.108 3.926 6.391 0.1150 1.3582
ATOM 164 H TYR 10 30.522 5.053 2.210 0.3100 0.2245
ATOM 165 HH TYR 10 36.829 1.854 7.096 0.4300 0.2245
ATOM 166 N THR 11 30.520 2.576 5.235 -0.4700 1.8500
ATOM 167 CA THR 11 30.045 2.720 6.641 0.0700 2.2750
ATOM 168 C THR 11 31.223 2.838 7.584 0.5100 2.0000
ATOM 169 O THR 11 31.192 3.641 8.497 -0.5100 1.7000
ATOM 170 CB THR 11 29.228 1.496 7.037 0.1400 2.2750
ATOM 171 OG1 THR 11 28.069 1.656 6.232 -0.6600 1.7700
ATOM 172 CG2 THR 11 28.852 1.446 8.517 -0.2700 2.0600
ATOM 173 HA THR 11 29.423 3.601 6.562 0.0900 1.3200
ATOM 174 HB THR 11 29.870 0.631 6.788 0.0900 1.3200
ATOM 175 HG21 THR 11 28.326 2.341 8.826 0.0900 1.3200
ATOM 176 HG22 THR 11 28.145 0.662 8.885 0.0900 1.3200
ATOM 177 HG23 THR 11 29.753 1.305 9.111 0.0900 1.3200
ATOM 178 H THR 11 30.446 1.687 4.720 0.3100 0.2245
ATOM 179 HG1 THR 11 27.485 2.395 6.591 0.4300 0.2245
ATOM 180 N GLY 12 32.251 2.091 7.350 -0.4700 1.8500
ATOM 181 CA GLY 12 33.523 2.128 8.130 -0.0200 2.1750
ATOM 182 C GLY 12 33.399 1.159 9.309 0.5100 2.0000
ATOM 183 O GLY 12 32.437 0.461 9.511 -0.5100 1.7000
ATOM 184 HA2 GLY 12 34.329 1.947 7.445 0.0900 1.3200
ATOM 185 HA3 GLY 12 33.702 3.161 8.474 0.0900 1.3200
ATOM 186 H GLY 12 32.141 1.419 6.539 0.3100 0.2245
ATOM 187 N PRO 13 34.502 1.082 10.072 -0.2900 1.8500
ATOM 188 CA PRO 13 34.519 0.168 11.227 0.0200 2.2750
ATOM 189 C PRO 13 33.916 0.539 12.596 0.5100 2.0000
ATOM 190 O PRO 13 33.930 -0.237 13.544 -0.5100 1.7000
ATOM 191 CB PRO 13 36.012 -0.082 11.370 -0.1800 2.1750
ATOM 192 CG PRO 13 36.631 1.239 10.992 -0.1800 2.1750
ATOM 193 CD PRO 13 35.765 1.879 9.928 0.0000 2.1750
ATOM 194 HA PRO 13 33.847 -0.643 11.074 0.0900 1.3200
ATOM 195 HB2 PRO 13 36.119 -0.140 12.472 0.0900 1.3200
ATOM 196 HB3 PRO 13 36.450 -0.937 11.151 0.0900 1.3200
ATOM 197 HG2 PRO 13 36.465 1.829 11.916 0.0900 1.3200
ATOM 198 HG3 PRO 13 37.553 1.200 10.948 0.0900 1.3200
ATOM 199 HD2 PRO 13 35.329 2.839 10.245 0.0900 1.3200
ATOM 200 HD3 PRO 13 36.248 1.923 9.001 0.0900 1.3200
ATOM 201 N CYS 14 33.434 1.727 12.750 -0.4700 1.8500
ATOM 202 CA CYS 14 32.817 2.337 13.956 0.0700 2.2750
ATOM 203 C CYS 14 31.326 1.931 13.983 0.5100 2.0000
ATOM 204 O CYS 14 30.770 1.555 12.956 -0.5100 1.7000
ATOM 205 CB CYS 14 33.176 3.792 14.087 -0.1000 2.1750
ATOM 206 SG CYS 14 34.877 4.044 14.560 -0.0800 1.9750
ATOM 207 HA CYS 14 33.224 1.848 14.827 0.0900 1.3200
ATOM 208 HB2 CYS 14 33.021 4.260 13.114 0.0900 1.3200
ATOM 209 HB3 CYS 14 32.555 4.350 14.792 0.0900 1.3200
ATOM 210 H CYS 14 33.512 2.331 11.844 0.3100 0.2245
ATOM 211 N LYS 15 30.797 1.938 15.212 -0.4700 1.8500
ATOM 212 CA LYS 15 29.455 1.371 15.454 0.0700 2.2750
ATOM 213 C LYS 15 28.360 2.334 15.735 0.5100 2.0000
ATOM 214 O LYS 15 27.329 1.956 16.299 -0.5100 1.7000
ATOM 215 CB LYS 15 29.669 0.354 16.551 -0.1800 2.1750
ATOM 216 CG LYS 15 30.972 -0.476 16.541 -0.1800 2.1750
ATOM 217 CD LYS 15 30.959 -1.503 15.478 -0.1800 2.1750
ATOM 218 CE LYS 15 32.296 -2.170 15.136 0.2100 2.1750
ATOM 219 NZ LYS 15 31.836 -3.309 14.215 -0.3000 1.8500
ATOM 220 HA LYS 15 29.255 0.802 14.539 0.0900 1.3200
ATOM 221 HB2 LYS 15 29.799 0.904 17.523 0.0900 1.3200
ATOM 222 HB3 LYS 15 28.831 -0.272 16.908 0.0900 1.3200
ATOM 223 HG2 LYS 15 31.824 0.190 16.751 0.0900 1.3200
ATOM 224 HG3 LYS 15 30.934 -0.947 17.555 0.0900 1.3200
ATOM 225 HD2 LYS 15 30.314 -2.379 15.590 0.0900 1.3200
ATOM 226 HD3 LYS 15 30.655 -1.058 14.485 0.0900 1.3200
ATOM 227 HE2 LYS 15 32.766 -1.611 14.351 0.0500 1.3200
ATOM 228 HE3 LYS 15 32.769 -2.717 15.928 0.0500 1.3200
ATOM 229 HZ1 LYS 15 31.495 -2.907 13.375 0.3300 0.2245
ATOM 230 HZ3 LYS 15 32.617 -3.894 14.034 0.3300 0.2245
ATOM 231 HZ2 LYS 15 31.120 -3.812 14.682 0.3300 0.2245
ATOM 232 H LYS 15 31.381 2.355 15.945 0.3100 0.2245
ATOM 233 N ALA 16 28.538 3.555 15.339 -0.4700 1.8500
ATOM 234 CA ALA 16 27.519 4.598 15.454 0.0700 2.2750
ATOM 235 C ALA 16 26.498 4.287 14.310 0.5100 2.0000
ATOM 236 O ALA 16 26.836 3.476 13.402 -0.5100 1.7000
ATOM 237 CB ALA 16 27.988 6.045 15.277 -0.2700 2.0600
ATOM 238 HA ALA 16 27.005 4.610 16.375 0.0900 1.3200
ATOM 239 HB1 ALA 16 28.805 6.350 15.920 0.0900 1.3200
ATOM 240 HB2 ALA 16 28.517 6.226 14.332 0.0900 1.3200
ATOM 241 HB3 ALA 16 27.104 6.681 15.367 0.0900 1.3200
ATOM 242 H ALA 16 29.486 3.751 14.919 0.3100 0.2245
ATOM 243 N ARG 17 25.365 4.924 14.324 -0.4700 1.8500
ATOM 244 CA ARG 17 24.373 4.865 13.248 0.0700 2.2750
ATOM 245 C ARG 17 24.031 6.307 12.896 0.5100 2.0000
ATOM 246 O ARG 17 23.100 6.914 13.431 -0.5100 1.7000
ATOM 247 CB ARG 17 23.121 4.138 13.566 -0.1800 2.1750
ATOM 248 CG ARG 17 23.529 2.682 13.790 -0.1800 2.1750
ATOM 249 CD ARG 17 22.243 2.045 14.156 0.2000 2.1750
ATOM 250 NE ARG 17 21.702 1.586 12.894 -0.7000 1.8500
ATOM 251 CZ ARG 17 20.864 1.665 11.854 0.6400 2.0000
ATOM 252 NH1 ARG 17 19.924 2.628 11.721 -0.8000 1.8500
ATOM 253 NH2 ARG 17 20.970 0.717 10.868 -0.8000 1.8500
ATOM 254 HA ARG 17 24.803 4.465 12.336 0.0900 1.3200
ATOM 255 HB2 ARG 17 22.566 4.456 14.456 0.0900 1.3200
ATOM 256 HB3 ARG 17 22.446 4.306 12.740 0.0900 1.3200
ATOM 257 HG2 ARG 17 24.096 2.201 13.028 0.0900 1.3200
ATOM 258 HG3 ARG 17 24.162 2.597 14.652 0.0900 1.3200
ATOM 259 HD2 ARG 17 22.509 1.196 14.762 0.0900 1.3200
ATOM 260 HD3 ARG 17 21.617 2.668 14.729 0.0900 1.3200
ATOM 261 HE ARG 17 22.356 0.586 12.620 0.4400 0.2245
ATOM 262 HH22 ARG 17 20.342 0.758 10.106 0.4600 0.2245
ATOM 263 HH21 ARG 17 21.667 0.022 10.942 0.4600 0.2245
ATOM 264 H ARG 17 25.201 5.507 15.193 0.3100 0.2245
ATOM 265 HH12 ARG 17 19.325 2.631 10.953 0.4600 0.2245
ATOM 266 HH11 ARG 17 19.862 3.336 12.430 0.4600 0.2245
ATOM 267 N ILE 18 24.783 6.955 12.017 -0.4700 1.8500
ATOM 268 CA ILE 18 24.709 8.341 11.537 0.0700 2.2750
ATOM 269 C ILE 18 24.204 8.278 10.079 0.5100 2.0000
ATOM 270 O ILE 18 24.876 7.679 9.249 -0.5100 1.7000
ATOM 271 CB ILE 18 26.042 9.082 11.623 -0.0900 2.2750
ATOM 272 CG1 ILE 18 26.652 9.020 13.051 -0.1800 2.1750
ATOM 273 CG2 ILE 18 25.974 10.525 11.176 -0.2700 2.0600
ATOM 274 CD1 ILE 18 28.148 9.276 13.084 -0.2700 2.0600
ATOM 275 H ILE 18 25.549 6.401 11.624 0.3100 0.2245
ATOM 276 HA ILE 18 24.000 8.847 12.188 0.0900 1.3200
ATOM 277 HB ILE 18 26.865 8.594 11.118 0.0900 1.3200
ATOM 278 HG12 ILE 18 25.954 9.414 13.777 0.0900 1.3200
ATOM 279 HG13 ILE 18 26.548 7.951 13.380 0.0900 1.3200
ATOM 280 HG21 ILE 18 25.331 10.602 10.286 0.0900 1.3200
ATOM 281 HG22 ILE 18 25.493 11.179 11.921 0.0900 1.3200
ATOM 282 HG23 ILE 18 26.964 10.890 10.940 0.0900 1.3200
ATOM 283 HD11 ILE 18 28.535 10.191 12.656 0.0900 1.3200
ATOM 284 HD12 ILE 18 28.455 8.952 14.098 0.0900 1.3200
ATOM 285 HD13 ILE 18 28.699 8.514 12.441 0.0900 1.3200
ATOM 286 N ILE 19 23.050 8.866 9.854 -0.4700 1.8500
ATOM 287 CA ILE 19 22.472 8.852 8.467 0.0700 2.2750
ATOM 288 C ILE 19 23.093 9.970 7.681 0.5100 2.0000
ATOM 289 O ILE 19 23.078 11.156 8.055 -0.5100 1.7000
ATOM 290 CB ILE 19 20.954 9.049 8.496 -0.0900 2.2750
ATOM 291 CG1 ILE 19 20.478 7.843 9.308 -0.1800 2.1750
ATOM 292 CG2 ILE 19 20.383 9.074 7.118 -0.2700 2.0600
ATOM 293 CD1 ILE 19 21.047 6.435 9.116 -0.2700 2.0600
ATOM 294 HA ILE 19 22.918 7.937 8.132 0.0900 1.3200
ATOM 295 HB ILE 19 20.852 10.028 8.952 0.0900 1.3200
ATOM 296 HG12 ILE 19 20.631 8.038 10.370 0.0900 1.3200
ATOM 297 HG13 ILE 19 19.392 7.700 9.202 0.0900 1.3200
ATOM 298 HG21 ILE 19 20.776 8.130 6.682 0.0900 1.3200
ATOM 299 HG22 ILE 19 19.302 8.957 7.044 0.0900 1.3200
ATOM 300 HG23 ILE 19 20.641 9.847 6.406 0.0900 1.3200
ATOM 301 HD11 ILE 19 22.105 6.190 9.208 0.0900 1.3200
ATOM 302 HD12 ILE 19 20.411 5.657 9.580 0.0900 1.3200
ATOM 303 HD13 ILE 19 20.856 6.216 8.025 0.0900 1.3200
ATOM 304 H ILE 19 22.589 9.313 10.642 0.3100 0.2245
ATOM 305 N ARG 20 23.726 9.516 6.564 -0.4700 1.8500
ATOM 306 CA ARG 20 24.442 10.455 5.670 0.0700 2.2750
ATOM 307 C ARG 20 23.927 10.184 4.206 0.5100 2.0000
ATOM 308 O ARG 20 23.300 9.191 3.965 -0.5100 1.7000
ATOM 309 CB ARG 20 25.962 10.178 5.691 -0.1800 2.1750
ATOM 310 CG ARG 20 26.624 10.625 7.025 -0.1800 2.1750
ATOM 311 CD ARG 20 26.683 12.084 7.147 0.2000 2.1750
ATOM 312 NE ARG 20 27.301 12.496 8.436 -0.7000 1.8500
ATOM 313 CZ ARG 20 28.569 12.515 8.793 0.6400 2.0000
ATOM 314 NH1 ARG 20 29.528 12.120 7.954 -0.8000 1.8500
ATOM 315 NH2 ARG 20 28.880 12.930 10.036 -0.8000 1.8500
ATOM 316 H ARG 20 23.787 8.592 6.237 0.3100 0.2245
ATOM 317 HA ARG 20 24.058 11.425 5.818 0.0900 1.3200
ATOM 318 HB2 ARG 20 25.997 9.096 5.514 0.0900 1.3200
ATOM 319 HB3 ARG 20 26.473 10.556 4.823 0.0900 1.3200
ATOM 320 HG2 ARG 20 26.061 10.144 7.831 0.0900 1.3200
ATOM 321 HG3 ARG 20 27.535 10.103 7.169 0.0900 1.3200
ATOM 322 HD2 ARG 20 27.287 12.570 6.390 0.0900 1.3200
ATOM 323 HD3 ARG 20 25.902 12.789 7.042 0.0900 1.3200
ATOM 324 HE ARG 20 26.619 12.816 9.159 0.4400 0.2245
ATOM 325 HH22 ARG 20 29.837 12.933 10.329 0.4600 0.2245
ATOM 326 HH21 ARG 20 28.160 13.231 10.652 0.4600 0.2245
ATOM 327 HH12 ARG 20 30.486 12.124 8.252 0.4600 0.2245
ATOM 328 HH11 ARG 20 29.292 11.822 7.031 0.4600 0.2245
ATOM 329 N TYR 21 24.290 11.111 3.341 -0.4700 1.8500
ATOM 330 CA TYR 21 23.980 10.950 1.898 0.0700 2.2750
ATOM 331 C TYR 21 25.230 10.503 1.171 0.5100 2.0000
ATOM 332 O TYR 21 26.337 10.911 1.504 -0.5100 1.7000
ATOM 333 CB TYR 21 23.571 12.308 1.316 -0.1800 2.1750
ATOM 334 CG TYR 21 22.096 12.567 1.577 0.0000 1.9924
ATOM 335 CD1 TYR 21 21.657 13.359 2.656 -0.1150 1.9924
ATOM 336 CD2 TYR 21 21.170 12.008 0.718 -0.1150 1.9924
ATOM 337 CE1 TYR 21 20.312 13.586 2.819 -0.1150 1.9924
ATOM 338 CE2 TYR 21 19.795 12.189 0.909 -0.1150 1.9924
ATOM 339 CZ TYR 21 19.370 13.026 1.971 0.1100 1.9924
ATOM 340 OH TYR 21 17.995 13.168 2.092 -0.5400 1.7700
ATOM 341 H TYR 21 24.869 11.855 3.627 0.3100 0.2245
ATOM 342 HA TYR 21 23.253 10.171 1.894 0.0900 1.3200
ATOM 343 HB2 TYR 21 24.218 13.154 1.485 0.0900 1.3200
ATOM 344 HB3 TYR 21 23.593 12.133 0.220 0.0900 1.3200
ATOM 345 HD1 TYR 21 22.396 13.821 3.302 0.1150 1.3582
ATOM 346 HD2 TYR 21 21.487 11.347 -0.072 0.1150 1.3582
ATOM 347 HE1 TYR 21 19.977 14.203 3.642 0.1150 1.3582
ATOM 348 HE2 TYR 21 19.073 11.749 0.247 0.1150 1.3582
ATOM 349 HH TYR 21 17.762 14.133 2.002 0.4300 0.2245
ATOM 350 N PHE 22 24.953 9.731 0.125 -0.4700 1.8500
ATOM 351 CA PHE 22 25.997 9.344 -0.804 0.0700 2.2750
ATOM 352 C PHE 22 25.379 9.511 -2.224 0.5100 2.0000
ATOM 353 O PHE 22 24.147 9.372 -2.366 -0.5100 1.7000
ATOM 354 CB PHE 22 26.543 7.944 -0.689 -0.1800 2.1750
ATOM 355 CG PHE 22 25.670 6.853 -1.112 0.0000 1.9924
ATOM 356 CD1 PHE 22 25.945 6.167 -2.285 -0.1150 1.9924
ATOM 357 CD2 PHE 22 24.511 6.513 -0.412 -0.1150 1.9924
ATOM 358 CE1 PHE 22 25.147 5.127 -2.683 -0.1150 1.9924
ATOM 359 CE2 PHE 22 23.691 5.457 -0.800 -0.1150 1.9924
ATOM 360 CZ PHE 22 24.024 4.780 -1.963 -0.1150 1.9924
ATOM 361 H PHE 22 24.062 9.484 -0.227 0.3100 0.2245
ATOM 362 HA PHE 22 26.914 9.910 -0.832 0.0900 1.3200
ATOM 363 HB2 PHE 22 27.448 8.048 -1.293 0.0900 1.3200
ATOM 364 HB3 PHE 22 26.675 7.814 0.433 0.0900 1.3200
ATOM 365 HD1 PHE 22 26.792 6.452 -2.819 0.1150 1.3582
ATOM 366 HD2 PHE 22 24.305 7.028 0.503 0.1150 1.3582
ATOM 367 HE1 PHE 22 25.378 4.634 -3.594 0.1150 1.3582
ATOM 368 HE2 PHE 22 22.866 5.192 -0.228 0.1150 1.3582
ATOM 369 HZ PHE 22 23.411 3.987 -2.299 0.1150 1.3582
ATOM 370 N TYR 23 26.248 9.721 -3.224 -0.4700 1.8500
ATOM 371 CA TYR 23 25.779 9.725 -4.634 0.0700 2.2750
ATOM 372 C TYR 23 25.786 8.322 -5.124 0.5100 2.0000
ATOM 373 O TYR 23 26.818 7.621 -5.132 -0.5100 1.7000
ATOM 374 CB TYR 23 26.759 10.511 -5.499 -0.1800 2.1750
ATOM 375 CG TYR 23 26.248 10.666 -6.944 0.0000 1.9924
ATOM 376 CD1 TYR 23 26.914 10.044 -7.987 -0.1150 1.9924
ATOM 377 CD2 TYR 23 25.125 11.475 -7.226 -0.1150 1.9924
ATOM 378 CE1 TYR 23 26.451 10.178 -9.295 -0.1150 1.9924
ATOM 379 CE2 TYR 23 24.587 11.603 -8.518 -0.1150 1.9924
ATOM 380 CZ TYR 23 25.294 10.925 -9.501 0.1100 1.9924
ATOM 381 OH TYR 23 24.839 11.085 -10.793 -0.5400 1.7700
ATOM 382 H TYR 23 27.210 9.753 -3.004 0.3100 0.2245
ATOM 383 HA TYR 23 24.818 10.226 -4.744 0.0900 1.3200
ATOM 384 HB2 TYR 23 26.593 11.519 -5.121 0.0900 1.3200
ATOM 385 HB3 TYR 23 27.819 10.292 -5.414 0.0900 1.3200
ATOM 386 HD1 TYR 23 27.785 9.438 -7.850 0.1150 1.3582
ATOM 387 HD2 TYR 23 24.614 11.894 -6.350 0.1150 1.3582
ATOM 388 HE1 TYR 23 26.909 9.696 -10.142 0.1150 1.3582
ATOM 389 HE2 TYR 23 23.716 12.164 -8.754 0.1150 1.3582
ATOM 390 HH TYR 23 23.844 11.158 -10.782 0.4300 0.2245
ATOM 391 N ASN 24 24.618 7.831 -5.550 -0.4700 1.8500
ATOM 392 CA ASN 24 24.473 6.511 -6.126 0.0700 2.2750
ATOM 393 C ASN 24 24.533 6.730 -7.657 0.5100 2.0000
ATOM 394 O ASN 24 23.605 7.147 -8.338 -0.5100 1.7000
ATOM 395 CB ASN 24 23.099 5.973 -5.764 -0.1800 2.1750
ATOM 396 CG ASN 24 22.895 4.611 -6.330 0.5500 2.0000
ATOM 397 H ASN 24 23.768 8.406 -5.560 0.3100 0.2245
ATOM 398 HA ASN 24 25.252 5.817 -5.749 0.0900 1.3200
ATOM 399 HB2 ASN 24 23.193 5.827 -4.660 0.0900 1.3200
ATOM 400 HB3 ASN 24 22.291 6.679 -5.844 0.0900 1.3200
ATOM 401 OD1 ASN 24 23.537 4.204 -7.313 -0.5500 1.7000
ATOM 402 ND2 ASN 24 21.966 3.903 -5.800 -0.6200 1.8500
ATOM 403 HD22 ASN 24 21.765 2.953 -6.128 0.3000 0.2245
ATOM 404 HD21 ASN 24 21.400 4.258 -5.041 0.3200 0.2245
ATOM 405 N ALA 25 25.690 6.499 -8.244 -0.4700 1.8500
ATOM 406 CA ALA 25 25.937 6.771 -9.710 0.0700 2.2750
ATOM 407 C ALA 25 25.108 5.883 -10.665 0.5100 2.0000
ATOM 408 O ALA 25 24.972 6.315 -11.816 -0.5100 1.7000
ATOM 409 CB ALA 25 27.438 6.846 -9.903 -0.2700 2.0600
ATOM 410 HA ALA 25 25.558 7.786 -9.716 0.0900 1.3200
ATOM 411 HB1 ALA 25 28.036 7.257 -9.107 0.0900 1.3200
ATOM 412 HB2 ALA 25 27.681 5.764 -9.848 0.0900 1.3200
ATOM 413 HB3 ALA 25 27.740 7.086 -10.895 0.0900 1.3200
ATOM 414 H ALA 25 26.437 6.112 -7.633 0.3100 0.2245
ATOM 415 N LYS 26 24.672 4.739 -10.226 -0.4700 1.8500
ATOM 416 CA LYS 26 23.844 3.843 -10.944 0.0700 2.2750
ATOM 417 C LYS 26 22.458 4.414 -11.053 0.5100 2.0000
ATOM 418 O LYS 26 21.776 4.419 -12.113 -0.5100 1.7000
ATOM 419 CB LYS 26 23.873 2.469 -10.338 -0.1800 2.1750
ATOM 420 CG LYS 26 22.897 1.688 -11.164 -0.1800 2.1750
ATOM 421 CD LYS 26 23.134 0.220 -10.987 -0.1800 2.1750
ATOM 422 CE LYS 26 21.883 -0.282 -11.734 0.2100 2.1750
ATOM 423 NZ LYS 26 21.699 -1.653 -11.140 -0.3000 1.8500
ATOM 424 HA LYS 26 24.244 3.768 -11.951 0.0900 1.3200
ATOM 425 HB2 LYS 26 24.904 2.072 -10.313 0.0900 1.3200
ATOM 426 HB3 LYS 26 23.584 2.461 -9.286 0.0900 1.3200
ATOM 427 HG2 LYS 26 21.821 1.865 -11.054 0.0900 1.3200
ATOM 428 HG3 LYS 26 23.032 1.822 -12.264 0.0900 1.3200
ATOM 429 HD2 LYS 26 23.995 -0.194 -11.474 0.0900 1.3200
ATOM 430 HD3 LYS 26 23.120 -0.106 -9.964 0.0900 1.3200
ATOM 431 HE2 LYS 26 21.046 0.350 -11.524 0.0500 1.3200
ATOM 432 HE3 LYS 26 22.160 -0.402 -12.753 0.0500 1.3200
ATOM 433 HZ1 LYS 26 21.676 -2.324 -11.877 0.3300 0.2245
ATOM 434 HZ3 LYS 26 22.462 -1.845 -10.527 0.3300 0.2245
ATOM 435 HZ2 LYS 26 20.841 -1.673 -10.633 0.3300 0.2245
ATOM 436 H LYS 26 25.010 4.524 -9.226 0.3100 0.2245
ATOM 437 N ALA 27 21.931 5.074 -10.038 -0.4700 1.8500
ATOM 438 CA ALA 27 20.576 5.701 -10.043 0.0700 2.2750
ATOM 439 C ALA 27 20.606 7.178 -10.432 0.5100 2.0000
ATOM 440 O ALA 27 19.595 7.768 -10.820 -0.5100 1.7000
ATOM 441 CB ALA 27 20.054 5.625 -8.612 -0.2700 2.0600
ATOM 442 HA ALA 27 20.090 5.015 -10.727 0.0900 1.3200
ATOM 443 HB1 ALA 27 20.772 6.088 -7.962 0.0900 1.3200
ATOM 444 HB2 ALA 27 19.100 6.124 -8.555 0.0900 1.3200
ATOM 445 HB3 ALA 27 20.011 4.596 -8.261 0.0900 1.3200
ATOM 446 H ALA 27 22.554 5.133 -9.188 0.3100 0.2245
ATOM 447 N GLY 28 21.752 7.848 -10.373 -0.4700 1.8500
ATOM 448 CA GLY 28 21.970 9.249 -10.618 -0.0200 2.1750
ATOM 449 C GLY 28 21.292 10.175 -9.591 0.5100 2.0000
ATOM 450 O GLY 28 20.947 11.316 -9.904 -0.5100 1.7000
ATOM 451 HA2 GLY 28 22.992 9.579 -10.730 0.0900 1.3200
ATOM 452 HA3 GLY 28 21.483 9.541 -11.578 0.0900 1.3200
ATOM 453 H GLY 28 22.576 7.194 -10.102 0.3100 0.2245
ATOM 454 N LEU 29 21.201 9.723 -8.370 -0.4700 1.8500
ATOM 455 CA LEU 29 20.589 10.458 -7.271 0.0700 2.2750
ATOM 456 C LEU 29 21.437 10.194 -6.009 0.5100 2.0000
ATOM 457 O LEU 29 22.077 9.168 -5.914 -0.5100 1.7000
ATOM 458 CB LEU 29 19.233 9.682 -6.932 -0.1800 2.1750
ATOM 459 CG LEU 29 18.126 9.639 -7.924 -0.0900 2.2750
ATOM 460 CD1 LEU 29 16.897 8.857 -7.584 -0.2700 2.0600
ATOM 461 CD2 LEU 29 17.548 11.015 -8.232 -0.2700 2.0600
ATOM 462 HA LEU 29 20.311 11.468 -7.252 0.0900 1.3200
ATOM 463 HB2 LEU 29 19.436 8.685 -6.548 0.0900 1.3200
ATOM 464 HB3 LEU 29 18.858 10.134 -5.977 0.0900 1.3200
ATOM 465 HG LEU 29 18.531 9.305 -8.886 0.0900 1.3200
ATOM 466 HD11 LEU 29 16.985 7.826 -7.316 0.0900 1.3200
ATOM 467 HD12 LEU 29 16.567 9.316 -6.642 0.0900 1.3200
ATOM 468 HD13 LEU 29 16.204 9.016 -8.386 0.0900 1.3200
ATOM 469 HD21 LEU 29 18.381 11.675 -8.464 0.0900 1.3200
ATOM 470 HD22 LEU 29 16.837 10.957 -9.047 0.0900 1.3200
ATOM 471 HD23 LEU 29 17.112 11.417 -7.289 0.0900 1.3200
ATOM 472 H LEU 29 21.615 8.758 -8.233 0.3100 0.2245
ATOM 473 N CYS 30 21.289 11.133 -5.121 -0.4700 1.8500
ATOM 474 CA CYS 30 21.875 11.033 -3.734 0.0700 2.2750
ATOM 475 C CYS 30 20.869 10.289 -2.850 0.5100 2.0000
ATOM 476 O CYS 30 19.639 10.651 -2.961 -0.5100 1.7000
ATOM 477 CB CYS 30 22.103 12.439 -3.217 -0.1000 2.1750
ATOM 478 SG CYS 30 23.486 13.149 -4.087 -0.0800 1.9750
ATOM 479 HA CYS 30 22.835 10.632 -3.940 0.0900 1.3200
ATOM 480 HB2 CYS 30 21.141 12.922 -3.348 0.0900 1.3200
ATOM 481 HB3 CYS 30 22.434 12.440 -2.188 0.0900 1.3200
ATOM 482 H CYS 30 20.742 11.965 -5.415 0.3100 0.2245
ATOM 483 N GLN 31 21.336 9.324 -2.086 -0.4700 1.8500
ATOM 484 CA GLN 31 20.508 8.474 -1.259 0.0700 2.2750
ATOM 485 C GLN 31 21.184 8.402 0.118 0.5100 2.0000
ATOM 486 O GLN 31 22.328 8.784 0.291 -0.5100 1.7000
ATOM 487 CB GLN 31 20.354 7.087 -1.858 -0.1800 2.1750
ATOM 488 CG GLN 31 19.623 7.119 -3.183 -0.1800 2.1750
ATOM 489 CD GLN 31 19.594 5.767 -3.853 0.5500 2.0000
ATOM 490 H GLN 31 22.343 9.128 -2.125 0.3100 0.2245
ATOM 491 HA GLN 31 19.517 8.874 -1.128 0.0900 1.3200
ATOM 492 HB2 GLN 31 21.356 6.648 -2.002 0.0900 1.3200
ATOM 493 HB3 GLN 31 19.931 6.372 -1.113 0.0900 1.3200
ATOM 494 HG2 GLN 31 18.690 7.661 -3.311 0.0900 1.3200
ATOM 495 HG3 GLN 31 20.219 7.714 -3.916 0.0900 1.3200
ATOM 496 HE22 GLN 31 17.859 6.348 -4.784 0.3000 0.2245
ATOM 497 OE1 GLN 31 20.395 4.867 -3.653 -0.5500 1.7000
ATOM 498 NE2 GLN 31 18.531 5.618 -4.678 -0.6200 1.8500
ATOM 499 HE21 GLN 31 18.427 4.730 -5.198 0.3200 0.2245
ATOM 500 N THR 32 20.404 7.934 1.103 -0.4700 1.8500
ATOM 501 CA THR 32 20.941 7.836 2.490 0.0700 2.2750
ATOM 502 C THR 32 21.590 6.489 2.656 0.5100 2.0000
ATOM 503 O THR 32 21.401 5.428 2.076 -0.5100 1.7000
ATOM 504 CB THR 32 19.849 8.116 3.568 0.1400 2.2750
ATOM 505 OG1 THR 32 18.807 7.216 3.348 -0.6600 1.7700
ATOM 506 CG2 THR 32 19.240 9.473 3.369 -0.2700 2.0600
ATOM 507 HA THR 32 21.592 8.681 2.741 0.0900 1.3200
ATOM 508 HB THR 32 20.326 8.080 4.568 0.0900 1.3200
ATOM 509 HG21 THR 32 18.775 9.734 2.409 0.0900 1.3200
ATOM 510 HG22 THR 32 18.605 9.634 4.256 0.0900 1.3200
ATOM 511 HG23 THR 32 19.988 10.264 3.585 0.0900 1.3200
ATOM 512 H THR 32 19.459 7.663 0.840 0.3100 0.2245
ATOM 513 HG1 THR 32 18.817 6.865 2.398 0.4300 0.2245
ATOM 514 N PHE 33 22.506 6.456 3.619 -0.4700 1.8500
ATOM 515 CA PHE 33 23.207 5.275 4.060 0.0700 2.2750
ATOM 516 C PHE 33 23.550 5.541 5.559 0.5100 2.0000
ATOM 517 O PHE 33 23.556 6.640 6.034 -0.5100 1.7000
ATOM 518 CB PHE 33 24.434 4.964 3.270 -0.1800 2.1750
ATOM 519 CG PHE 33 25.710 5.682 3.555 0.0000 1.9924
ATOM 520 CD1 PHE 33 26.781 5.095 4.224 -0.1150 1.9924
ATOM 521 CD2 PHE 33 25.843 6.975 3.069 -0.1150 1.9924
ATOM 522 CE1 PHE 33 27.946 5.766 4.445 -0.1150 1.9924
ATOM 523 CE2 PHE 33 27.014 7.710 3.271 -0.1150 1.9924
ATOM 524 CZ PHE 33 28.008 7.053 3.984 -0.1150 1.9924
ATOM 525 H PHE 33 22.695 7.266 4.199 0.3100 0.2245
ATOM 526 HA PHE 33 22.613 4.388 3.918 0.0900 1.3200
ATOM 527 HB2 PHE 33 24.660 3.891 3.281 0.0900 1.3200
ATOM 528 HB3 PHE 33 24.191 5.223 2.224 0.0900 1.3200
ATOM 529 HD1 PHE 33 26.642 4.136 4.599 0.1150 1.3582
ATOM 530 HD2 PHE 33 25.041 7.396 2.488 0.1150 1.3582
ATOM 531 HE1 PHE 33 28.767 5.394 5.011 0.1150 1.3582
ATOM 532 HE2 PHE 33 27.164 8.641 2.902 0.1150 1.3582
ATOM 533 HZ PHE 33 28.943 7.600 4.146 0.1150 1.3582
ATOM 534 N VAL 34 23.923 4.477 6.205 -0.4700 1.8500
ATOM 535 CA VAL 34 24.349 4.496 7.646 0.0700 2.2750
ATOM 536 C VAL 34 25.894 4.524 7.711 0.5100 2.0000
ATOM 537 O VAL 34 26.638 3.625 7.263 -0.5100 1.7000
ATOM 538 CB VAL 34 23.771 3.242 8.364 -0.0900 2.2750
ATOM 539 CG1 VAL 34 24.190 3.382 9.822 -0.2700 2.0600
ATOM 540 CG2 VAL 34 22.264 3.291 8.258 -0.2700 2.0600
ATOM 541 HA VAL 34 23.896 5.373 8.063 0.0900 1.3200
ATOM 542 HB VAL 34 24.145 2.394 7.767 0.0900 1.3200
ATOM 543 HG11 VAL 34 25.215 3.495 10.080 0.0900 1.3200
ATOM 544 HG12 VAL 34 23.715 4.342 10.087 0.0900 1.3200
ATOM 545 HG13 VAL 34 23.671 2.771 10.508 0.0900 1.3200
ATOM 546 HG21 VAL 34 21.923 3.399 7.220 0.0900 1.3200
ATOM 547 HG22 VAL 34 21.859 2.299 8.478 0.0900 1.3200
ATOM 548 HG23 VAL 34 21.693 4.035 8.788 0.0900 1.3200
ATOM 549 H VAL 34 23.912 3.585 5.660 0.3100 0.2245
ATOM 550 N TYR 35 26.387 5.631 8.231 -0.4700 1.8500
ATOM 551 CA TYR 35 27.814 5.860 8.458 0.0700 2.2750
ATOM 552 C TYR 35 28.085 5.455 9.938 0.5100 2.0000
ATOM 553 O TYR 35 27.356 5.880 10.841 -0.5100 1.7000
ATOM 554 CB TYR 35 28.111 7.355 8.111 -0.1800 2.1750
ATOM 555 CG TYR 35 29.487 7.835 8.503 0.0000 1.9924
ATOM 556 CD1 TYR 35 30.614 7.095 8.174 -0.1150 1.9924
ATOM 557 CD2 TYR 35 29.613 8.943 9.313 -0.1150 1.9924
ATOM 558 CE1 TYR 35 31.862 7.506 8.619 -0.1150 1.9924
ATOM 559 CE2 TYR 35 30.895 9.387 9.715 -0.1150 1.9924
ATOM 560 CZ TYR 35 31.977 8.641 9.373 0.1100 1.9924
ATOM 561 OH TYR 35 33.198 9.064 9.803 -0.5400 1.7700
ATOM 562 H TYR 35 25.808 6.359 8.604 0.3100 0.2245
ATOM 563 HA TYR 35 28.395 5.346 7.704 0.0900 1.3200
ATOM 564 HB2 TYR 35 28.076 7.240 7.047 0.0900 1.3200
ATOM 565 HB3 TYR 35 27.271 7.909 8.560 0.0900 1.3200
ATOM 566 HD1 TYR 35 30.545 6.205 7.538 0.1150 1.3582
ATOM 567 HD2 TYR 35 28.750 9.553 9.589 0.1150 1.3582
ATOM 568 HE1 TYR 35 32.771 6.952 8.307 0.1150 1.3582
ATOM 569 HE2 TYR 35 30.943 10.289 10.353 0.1150 1.3582
ATOM 570 HH TYR 35 33.815 8.280 9.882 0.4300 0.2245
ATOM 571 N GLY 36 29.181 4.741 10.152 -0.4700 1.8500
ATOM 572 CA GLY 36 29.544 4.252 11.487 -0.0200 2.1750
ATOM 573 C GLY 36 30.219 5.242 12.389 0.5100 2.0000
ATOM 574 O GLY 36 30.414 4.897 13.554 -0.5100 1.7000
ATOM 575 HA2 GLY 36 28.569 4.035 11.938 0.0900 1.3200
ATOM 576 HA3 GLY 36 29.951 3.244 11.467 0.0900 1.3200
ATOM 577 H GLY 36 29.757 4.557 9.306 0.3100 0.2245
ATOM 578 N GLY 37 30.587 6.373 11.911 -0.4700 1.8500
ATOM 579 CA GLY 37 31.172 7.377 12.736 -0.0200 2.1750
ATOM 580 C GLY 37 32.637 7.664 12.699 0.5100 2.0000
ATOM 581 O GLY 37 33.098 8.624 13.380 -0.5100 1.7000
ATOM 582 H GLY 37 30.371 6.645 10.927 0.3100 0.2245
ATOM 583 HA2 GLY 37 30.644 8.301 12.496 0.0900 1.3200
ATOM 584 HA3 GLY 37 30.965 7.251 13.816 0.0900 1.3200
ATOM 585 N CYS 38 33.387 6.871 11.999 -0.4700 1.8500
ATOM 586 CA CYS 38 34.813 7.212 11.868 0.0700 2.2750
ATOM 587 C CYS 38 35.267 6.763 10.481 0.5100 2.0000
ATOM 588 O CYS 38 34.729 5.808 9.860 -0.5100 1.7000
ATOM 589 CB CYS 38 35.702 6.466 12.895 -0.1000 2.1750
ATOM 590 SG CYS 38 35.719 4.684 12.827 -0.0800 1.9750
ATOM 591 HA CYS 38 34.828 8.254 12.105 0.0900 1.3200
ATOM 592 HB2 CYS 38 36.717 6.782 12.719 0.0900 1.3200
ATOM 593 HB3 CYS 38 35.376 6.694 13.914 0.0900 1.3200
ATOM 594 H CYS 38 32.957 6.056 11.576 0.3100 0.2245
ATOM 595 N ARG 39 36.341 7.375 10.042 -0.4700 1.8500
ATOM 596 CA ARG 39 37.025 7.056 8.805 0.0700 2.2750
ATOM 597 C ARG 39 36.187 7.227 7.520 0.5100 2.0000
ATOM 598 O ARG 39 36.332 6.391 6.640 -0.5100 1.7000
ATOM 599 CB ARG 39 37.538 5.625 8.866 -0.1800 2.1750
ATOM 600 CG ARG 39 38.516 5.562 10.066 -0.1800 2.1750
ATOM 601 CD ARG 39 39.107 4.166 10.098 0.2000 2.1750
ATOM 602 NE ARG 39 39.805 4.035 11.371 -0.7000 1.8500
ATOM 603 CZ ARG 39 40.590 3.032 11.775 0.6400 2.0000
ATOM 604 NH1 ARG 39 40.823 1.964 11.024 -0.8000 1.8500
ATOM 605 NH2 ARG 39 41.144 3.105 12.987 -0.8000 1.8500
ATOM 606 HA ARG 39 37.858 7.741 8.595 0.0900 1.3200
ATOM 607 HB2 ARG 39 36.821 4.846 9.058 0.0900 1.3200
ATOM 608 HB3 ARG 39 38.127 5.322 8.011 0.0900 1.3200
ATOM 609 HG2 ARG 39 39.277 6.303 10.090 0.0900 1.3200
ATOM 610 HG3 ARG 39 38.016 5.637 10.981 0.0900 1.3200
ATOM 611 HD2 ARG 39 38.282 3.473 10.078 0.0900 1.3200
ATOM 612 HD3 ARG 39 39.633 4.052 9.207 0.0900 1.3200
ATOM 613 HE ARG 39 39.681 4.806 12.045 0.4400 0.2245
ATOM 614 HH22 ARG 39 41.720 2.352 13.311 0.4600 0.2245
ATOM 615 HH21 ARG 39 40.986 3.902 13.563 0.4600 0.2245
ATOM 616 H ARG 39 36.682 8.150 10.687 0.3100 0.2245
ATOM 617 HH12 ARG 39 41.397 1.227 11.362 0.4600 0.2245
ATOM 618 HH11 ARG 39 40.417 1.902 10.108 0.4600 0.2245
ATOM 619 N ALA 40 35.456 8.280 7.530 -0.4700 1.8500
ATOM 620 CA ALA 40 34.631 8.632 6.385 0.0700 2.2750
ATOM 621 C ALA 40 35.497 8.734 5.135 0.5100 2.0000
ATOM 622 O ALA 40 36.687 9.115 5.137 -0.5100 1.7000
ATOM 623 CB ALA 40 33.941 9.981 6.542 -0.2700 2.0600
ATOM 624 HA ALA 40 33.879 7.870 6.308 0.0900 1.3200
ATOM 625 HB1 ALA 40 34.528 10.829 6.846 0.0900 1.3200
ATOM 626 HB2 ALA 40 33.456 10.198 5.563 0.0900 1.3200
ATOM 627 HB3 ALA 40 33.155 9.774 7.271 0.0900 1.3200
ATOM 628 H ALA 40 35.490 8.858 8.396 0.3100 0.2245
ATOM 629 N LYS 41 34.889 8.428 4.019 -0.4700 1.8500
ATOM 630 CA LYS 41 35.456 8.549 2.638 0.0700 2.2750
ATOM 631 C LYS 41 34.782 9.775 2.026 0.5100 2.0000
ATOM 632 O LYS 41 33.938 10.501 2.638 -0.5100 1.7000
ATOM 633 CB LYS 41 35.426 7.283 1.843 -0.1800 2.1750
ATOM 634 CG LYS 41 36.330 6.177 2.314 -0.1800 2.1750
ATOM 635 CD LYS 41 36.220 4.925 1.492 -0.1800 2.1750
ATOM 636 CE LYS 41 36.972 3.830 2.249 0.2100 2.1750
ATOM 637 NZ LYS 41 38.430 4.086 2.238 -0.3000 1.8500
ATOM 638 HA LYS 41 36.456 8.823 2.962 0.0900 1.3200
ATOM 639 HB2 LYS 41 34.348 7.148 1.817 0.0900 1.3200
ATOM 640 HB3 LYS 41 35.594 7.443 0.755 0.0900 1.3200
ATOM 641 HG2 LYS 41 37.409 6.485 2.376 0.0900 1.3200
ATOM 642 HG3 LYS 41 36.049 5.955 3.369 0.0900 1.3200
ATOM 643 HD2 LYS 41 35.216 4.451 1.494 0.0900 1.3200
ATOM 644 HD3 LYS 41 36.531 4.849 0.453 0.0900 1.3200
ATOM 645 HE2 LYS 41 36.740 3.973 3.315 0.0500 1.3200
ATOM 646 HE3 LYS 41 36.742 2.821 1.974 0.0500 1.3200
ATOM 647 HZ1 LYS 41 38.687 4.598 3.059 0.3300 0.2245
ATOM 648 HZ3 LYS 41 38.923 3.215 2.222 0.3300 0.2245
ATOM 649 HZ2 LYS 41 38.671 4.619 1.426 0.3300 0.2245
ATOM 650 H LYS 41 33.895 8.061 4.155 0.3100 0.2245
ATOM 651 N ARG 42 35.115 10.128 0.777 -0.4700 1.8500
ATOM 652 CA ARG 42 34.659 11.372 0.167 0.0700 2.2750
ATOM 653 C ARG 42 33.178 11.332 -0.259 0.5100 2.0000
ATOM 654 O ARG 42 32.599 12.401 -0.162 -0.5100 1.7000
ATOM 655 CB ARG 42 35.554 11.797 -0.960 -0.1800 2.1750
ATOM 656 CG ARG 42 36.918 12.265 -0.568 -0.1800 2.1750
ATOM 657 CD ARG 42 37.957 12.565 -1.588 0.2000 2.1750
ATOM 658 NE ARG 42 38.393 11.235 -1.972 -0.7000 1.8500
ATOM 659 CZ ARG 42 39.092 10.993 -3.114 0.6400 2.0000
ATOM 660 NH1 ARG 42 39.486 11.979 -3.942 -0.8000 1.8500
ATOM 661 NH2 ARG 42 39.446 9.734 -3.428 -0.8000 1.8500
ATOM 662 HA ARG 42 34.712 12.168 0.950 0.0900 1.3200
ATOM 663 HB2 ARG 42 35.629 10.967 -1.690 0.0900 1.3200
ATOM 664 HB3 ARG 42 35.017 12.458 -1.640 0.0900 1.3200
ATOM 665 HG2 ARG 42 36.981 13.025 0.221 0.0900 1.3200
ATOM 666 HG3 ARG 42 37.355 11.538 0.099 0.0900 1.3200
ATOM 667 HD2 ARG 42 37.373 13.009 -2.423 0.0900 1.3200
ATOM 668 HD3 ARG 42 38.645 13.283 -1.256 0.0900 1.3200
ATOM 669 HE ARG 42 38.181 10.461 -1.389 0.4400 0.2245
ATOM 670 HH22 ARG 42 39.935 9.562 -4.263 0.4600 0.2245
ATOM 671 HH21 ARG 42 39.208 8.990 -2.806 0.4600 0.2245
ATOM 672 H ARG 42 35.724 9.438 0.287 0.3100 0.2245
ATOM 673 HH12 ARG 42 39.971 11.757 -4.763 0.4600 0.2245
ATOM 674 HH11 ARG 42 39.276 12.926 -3.702 0.4600 0.2245
ATOM 675 N ASN 43 32.662 10.208 -0.618 -0.4700 1.8500
ATOM 676 CA ASN 43 31.235 10.157 -1.075 0.0700 2.2750
ATOM 677 C ASN 43 30.363 9.898 0.175 0.5100 2.0000
ATOM 678 O ASN 43 29.830 8.807 0.431 -0.5100 1.7000
ATOM 679 CB ASN 43 31.158 9.006 -2.072 -0.1800 2.1750
ATOM 680 CG ASN 43 29.799 9.033 -2.770 0.5500 2.0000
ATOM 681 HA ASN 43 31.097 11.126 -1.506 0.0900 1.3200
ATOM 682 HB2 ASN 43 31.986 9.096 -2.796 0.0900 1.3200
ATOM 683 HB3 ASN 43 31.442 8.069 -1.533 0.0900 1.3200
ATOM 684 H ASN 43 33.254 9.373 -0.579 0.3100 0.2245
ATOM 685 OD1 ASN 43 29.002 9.968 -2.653 -0.5500 1.7000
ATOM 686 ND2 ASN 43 29.533 8.007 -3.503 -0.6200 1.8500
ATOM 687 HD22 ASN 43 28.646 7.952 -4.007 0.3000 0.2245
ATOM 688 HD21 ASN 43 30.179 7.244 -3.597 0.3200 0.2245
ATOM 689 N ASN 44 30.329 10.926 0.929 -0.4700 1.8500
ATOM 690 CA ASN 44 29.680 10.998 2.281 0.0700 2.2750
ATOM 691 C ASN 44 29.441 12.481 2.513 0.5100 2.0000
ATOM 692 O ASN 44 30.374 13.253 2.640 -0.5100 1.7000
ATOM 693 CB ASN 44 30.579 10.298 3.287 -0.1800 2.1750
ATOM 694 CG ASN 44 30.097 10.342 4.770 0.5500 2.0000
ATOM 695 HA ASN 44 28.831 10.413 2.219 0.0900 1.3200
ATOM 696 HB2 ASN 44 30.842 9.286 3.128 0.0900 1.3200
ATOM 697 HB3 ASN 44 31.523 10.823 3.352 0.0900 1.3200
ATOM 698 H ASN 44 30.812 11.792 0.536 0.3100 0.2245
ATOM 699 OD1 ASN 44 29.353 11.223 5.157 -0.5500 1.7000
ATOM 700 ND2 ASN 44 30.593 9.396 5.525 -0.6200 1.8500
ATOM 701 HD22 ASN 44 30.321 9.357 6.501 0.3000 0.2245
ATOM 702 HD21 ASN 44 31.227 8.721 5.162 0.3200 0.2245
ATOM 703 N PHE 45 28.153 12.815 2.580 -0.4700 1.8500
ATOM 704 CA PHE 45 27.732 14.188 2.696 0.0700 2.2750
ATOM 705 C PHE 45 26.649 14.315 3.805 0.5100 2.0000
ATOM 706 O PHE 45 25.856 13.419 4.021 -0.5100 1.7000
ATOM 707 CB PHE 45 27.054 14.595 1.345 -0.1800 2.1750
ATOM 708 CG PHE 45 27.916 14.462 0.140 0.0000 1.9924
ATOM 709 CD1 PHE 45 27.953 13.294 -0.602 -0.1150 1.9924
ATOM 710 CD2 PHE 45 28.752 15.525 -0.138 -0.1150 1.9924
ATOM 711 CE1 PHE 45 28.783 13.173 -1.704 -0.1150 1.9924
ATOM 712 CE2 PHE 45 29.615 15.424 -1.250 -0.1150 1.9924
ATOM 713 CZ PHE 45 29.599 14.241 -1.990 -0.1150 1.9924
ATOM 714 H PHE 45 27.398 12.157 2.411 0.3100 0.2245
ATOM 715 HA PHE 45 28.527 14.889 2.741 0.0900 1.3200
ATOM 716 HB2 PHE 45 26.350 13.759 1.326 0.0900 1.3200
ATOM 717 HB3 PHE 45 26.487 15.501 1.444 0.0900 1.3200
ATOM 718 HD1 PHE 45 27.341 12.513 -0.316 0.1150 1.3582
ATOM 719 HD2 PHE 45 28.699 16.440 0.415 0.1150 1.3582
ATOM 720 HE1 PHE 45 28.840 12.308 -2.293 0.1150 1.3582
ATOM 721 HE2 PHE 45 30.188 16.207 -1.556 0.1150 1.3582
ATOM 722 HZ PHE 45 30.224 14.157 -2.851 0.1150 1.3582
ATOM 723 N LYS 46 26.654 15.523 4.326 -0.4700 1.8500
ATOM 724 CA LYS 46 25.670 15.810 5.399 0.0700 2.2750
ATOM 725 C LYS 46 24.360 16.291 4.876 0.5100 2.0000
ATOM 726 O LYS 46 23.386 16.226 5.649 -0.5100 1.7000
ATOM 727 CB LYS 46 26.188 16.720 6.512 -0.1800 2.1750
ATOM 728 CG LYS 46 27.318 16.084 7.335 -0.1800 2.1750
ATOM 729 CD LYS 46 27.843 17.081 8.391 -0.1800 2.1750
ATOM 730 CE LYS 46 29.236 16.576 8.669 0.2100 2.1750
ATOM 731 NZ LYS 46 29.962 17.327 9.705 -0.3000 1.8500
ATOM 732 HA LYS 46 25.458 14.851 5.822 0.0900 1.3200
ATOM 733 HB2 LYS 46 26.587 17.609 5.990 0.0900 1.3200
ATOM 734 HB3 LYS 46 25.404 16.946 7.222 0.0900 1.3200
ATOM 735 HG2 LYS 46 27.027 15.200 7.891 0.0900 1.3200
ATOM 736 HG3 LYS 46 28.203 15.916 6.737 0.0900 1.3200
ATOM 737 HD2 LYS 46 28.122 17.991 7.798 0.0900 1.3200
ATOM 738 HD3 LYS 46 27.135 17.420 9.101 0.0900 1.3200
ATOM 739 HE2 LYS 46 29.175 15.510 8.907 0.0500 1.3200
ATOM 740 HE3 LYS 46 29.805 16.640 7.728 0.0500 1.3200
ATOM 741 HZ1 LYS 46 30.950 17.219 9.574 0.3300 0.2245
ATOM 742 HZ3 LYS 46 29.727 18.300 9.647 0.3300 0.2245
ATOM 743 HZ2 LYS 46 29.712 16.983 10.613 0.3300 0.2245
ATOM 744 H LYS 46 27.321 16.188 3.973 0.3100 0.2245
ATOM 745 N SER 47 24.337 16.734 3.622 -0.4700 1.8500
ATOM 746 CA SER 47 23.068 17.191 3.061 0.0700 2.2750
ATOM 747 C SER 47 22.980 16.742 1.594 0.5100 2.0000
ATOM 748 O SER 47 24.015 16.567 0.916 -0.5100 1.7000
ATOM 749 CB SER 47 22.880 18.711 3.060 0.0500 2.1750
ATOM 750 OG SER 47 23.822 19.258 2.193 -0.6600 1.7700
ATOM 751 HA SER 47 22.206 16.804 3.574 0.0900 1.3200
ATOM 752 HB2 SER 47 21.900 18.919 2.598 0.0900 1.3200
ATOM 753 HB3 SER 47 22.965 19.264 4.004 0.0900 1.3200
ATOM 754 H SER 47 25.224 16.726 3.123 0.3100 0.2245
ATOM 755 HG SER 47 23.849 20.256 2.297 0.4300 0.2245
ATOM 756 N ALA 48 21.747 16.565 1.233 -0.4700 1.8500
ATOM 757 CA ALA 48 21.452 16.202 -0.192 0.0700 2.2750
ATOM 758 C ALA 48 21.889 17.264 -1.204 0.5100 2.0000
ATOM 759 O ALA 48 22.320 16.959 -2.338 -0.5100 1.7000
ATOM 760 CB ALA 48 19.991 15.849 -0.356 -0.2700 2.0600
ATOM 761 HA ALA 48 22.244 15.481 -0.310 0.0900 1.3200
ATOM 762 HB1 ALA 48 19.319 16.642 -0.038 0.0900 1.3200
ATOM 763 HB2 ALA 48 19.800 15.524 -1.385 0.0900 1.3200
ATOM 764 HB3 ALA 48 19.794 14.988 0.281 0.0900 1.3200
ATOM 765 H ALA 48 21.020 16.680 1.935 0.3100 0.2245
ATOM 766 N GLU 49 21.835 18.530 -0.819 -0.4700 1.8500
ATOM 767 CA GLU 49 22.235 19.620 -1.652 0.0700 2.2750
ATOM 768 C GLU 49 23.740 19.554 -1.891 0.5100 2.0000
ATOM 769 O GLU 49 24.137 19.730 -3.053 -0.5100 1.7000
ATOM 770 CB GLU 49 21.766 20.869 -0.865 -0.1800 2.1750
ATOM 771 CG GLU 49 20.367 20.737 -0.179 -0.2800 2.1750
ATOM 772 CD GLU 49 19.919 19.894 0.994 0.6200 2.0000
ATOM 773 OE1 GLU 49 19.414 18.784 1.212 -0.7600 1.7000
ATOM 774 OE2 GLU 49 19.912 20.253 2.202 -0.7600 1.7000
ATOM 775 HA GLU 49 21.885 19.789 -2.644 0.0900 1.3200
ATOM 776 HB2 GLU 49 22.360 20.677 0.079 0.0900 1.3200
ATOM 777 HB3 GLU 49 22.360 21.702 -1.159 0.0900 1.3200
ATOM 778 HG2 GLU 49 20.001 21.722 0.047 0.0900 1.3200
ATOM 779 HG3 GLU 49 19.803 20.281 -0.976 0.0900 1.3200
ATOM 780 H GLU 49 21.468 18.656 0.163 0.3100 0.2245
ATOM 781 N ASP 50 24.537 19.331 -0.858 -0.4700 1.8500
ATOM 782 CA ASP 50 25.961 19.288 -1.082 0.0700 2.2750