-
Notifications
You must be signed in to change notification settings - Fork 2
/
Copy path6rqs.pdb
4004 lines (4004 loc) · 317 KB
/
6rqs.pdb
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
HEADER MEMBRANE PROTEIN 16-MAY-19 6RQS
TITLE RW16 PEPTIDE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ARG-ARG-TRP-ARG-ARG-TRP-TRP-ARG-ARG-TRP-TRP-ARG-ARG-TRP-
COMPND 3 ARG-ARG;
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
SOURCE 4 ORGANISM_TAXID: 32630
KEYWDS ARGININE, TRYPTOPHAN, MEMBRANE, CELL-PENETRATING, MEMBRANE PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR M.-L.JOBIN,A.GRELARD,I.ALVES,C.D.MACKERETH
REVDAT 1 23-OCT-19 6RQS 0
JRNL AUTH M.L.JOBIN,L.VAMPARYS,R.DENIAU,A.GRELARD,C.D.MACKERETH,
JRNL AUTH 2 P.F.J.FUCHS,I.D.ALVES
JRNL TITL BIOPHYSICAL INSIGHT ON THE MEMBRANE INSERTION OF AN
JRNL TITL 2 ARGININE-RICH CELL-PENETRATING PEPTIDE.
JRNL REF INT J MOL SCI V. 20 2019
JRNL REFN ESSN 1422-0067
JRNL PMID 31505894
JRNL DOI 10.3390/IJMS20184441
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.1, ARIA 1.2
REMARK 3 AUTHORS : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ
REMARK 3 (CNS), LINGE, O'DONOGHUE AND NILGES (ARIA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 6RQS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 16-MAY-19.
REMARK 100 THE DEPOSITION ID IS D_1292102412.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 310
REMARK 210 PH : 5.5
REMARK 210 IONIC STRENGTH : 50
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 1 MM RW16 PEPTIDE, 60 MM [U-100%
REMARK 210 2H] DPC, 50 MM SODIUM PHOSPHATE,
REMARK 210 90% H2O/10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H NOESY; 2D 1H-1H TOCSY;
REMARK 210 2D 1H-13C HSQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE III
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : TOPSPIN 3.2, NMRPIPE, SPARKY
REMARK 210 3.113
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 0 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 2410 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 0.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 MODELS 1-10
REMARK 465 RES C SSSEQI
REMARK 465 BTN A -1
REMARK 465 KFB A 0
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 34400 RELATED DB: BMRB
REMARK 900 RW16 PEPTIDE
DBREF 6RQS A -1 16 PDB 6RQS 6RQS -1 16
SEQRES 1 A 18 BTN KFB ARG ARG TRP ARG ARG TRP TRP ARG ARG TRP TRP
SEQRES 2 A 18 ARG ARG TRP ARG ARG
HELIX 1 AA1 ARG A 1 ARG A 15 1 15
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
ATOM 1 N ARG A 1 -11.625 -0.599 2.390 1.00 0.94 N
ATOM 2 CA ARG A 1 -10.947 0.351 1.517 1.00 0.72 C
ATOM 3 C ARG A 1 -10.064 -0.410 0.538 1.00 0.60 C
ATOM 4 O ARG A 1 -8.936 -0.781 0.870 1.00 0.64 O
ATOM 5 CB ARG A 1 -10.107 1.337 2.336 1.00 1.24 C
ATOM 6 CG ARG A 1 -10.891 2.049 3.424 1.00 1.81 C
ATOM 7 CD ARG A 1 -12.049 2.842 2.849 1.00 2.42 C
ATOM 8 NE ARG A 1 -12.883 3.420 3.893 1.00 3.29 N
ATOM 9 CZ ARG A 1 -13.510 4.586 3.779 1.00 4.10 C
ATOM 10 NH1 ARG A 1 -13.344 5.324 2.687 1.00 4.22 N
ATOM 11 NH2 ARG A 1 -14.285 5.019 4.762 1.00 5.01 N
ATOM 12 H ARG A 1 -11.118 -1.042 3.101 1.00 1.36 H
ATOM 13 HA ARG A 1 -11.702 0.895 0.964 1.00 0.90 H
ATOM 14 HB2 ARG A 1 -9.295 0.800 2.805 1.00 1.52 H
ATOM 15 HB3 ARG A 1 -9.699 2.082 1.671 1.00 1.64 H
ATOM 16 HG2 ARG A 1 -11.279 1.315 4.114 1.00 2.17 H
ATOM 17 HG3 ARG A 1 -10.230 2.726 3.948 1.00 2.13 H
ATOM 18 HD2 ARG A 1 -11.653 3.636 2.236 1.00 2.35 H
ATOM 19 HD3 ARG A 1 -12.653 2.184 2.240 1.00 2.78 H
ATOM 20 HE ARG A 1 -12.990 2.896 4.726 1.00 3.48 H
ATOM 21 HH11 ARG A 1 -12.748 5.005 1.951 1.00 3.76 H
ATOM 22 HH12 ARG A 1 -13.819 6.204 2.594 1.00 4.94 H
ATOM 23 HH21 ARG A 1 -14.408 4.465 5.594 1.00 5.16 H
ATOM 24 HH22 ARG A 1 -14.754 5.909 4.684 1.00 5.67 H
ATOM 25 N ARG A 2 -10.590 -0.661 -0.657 1.00 0.54 N
ATOM 26 CA ARG A 2 -9.906 -1.495 -1.645 1.00 0.51 C
ATOM 27 C ARG A 2 -8.531 -0.942 -2.021 1.00 0.39 C
ATOM 28 O ARG A 2 -7.599 -1.700 -2.277 1.00 0.41 O
ATOM 29 CB ARG A 2 -10.770 -1.682 -2.903 1.00 0.59 C
ATOM 30 CG ARG A 2 -10.828 -0.483 -3.849 1.00 1.27 C
ATOM 31 CD ARG A 2 -11.654 0.665 -3.295 1.00 2.13 C
ATOM 32 NE ARG A 2 -11.756 1.764 -4.249 1.00 2.80 N
ATOM 33 CZ ARG A 2 -12.760 2.638 -4.279 1.00 3.73 C
ATOM 34 NH1 ARG A 2 -13.766 2.542 -3.414 1.00 4.17 N
ATOM 35 NH2 ARG A 2 -12.754 3.608 -5.178 1.00 4.44 N
ATOM 36 H ARG A 2 -11.478 -0.297 -0.873 1.00 0.59 H
ATOM 37 HA ARG A 2 -9.761 -2.459 -1.191 1.00 0.60 H
ATOM 38 HB2 ARG A 2 -10.384 -2.518 -3.464 1.00 0.87 H
ATOM 39 HB3 ARG A 2 -11.778 -1.908 -2.589 1.00 1.05 H
ATOM 40 HG2 ARG A 2 -9.825 -0.130 -4.023 1.00 1.80 H
ATOM 41 HG3 ARG A 2 -11.261 -0.803 -4.786 1.00 1.44 H
ATOM 42 HD2 ARG A 2 -12.644 0.301 -3.069 1.00 2.58 H
ATOM 43 HD3 ARG A 2 -11.187 1.029 -2.392 1.00 2.36 H
ATOM 44 HE ARG A 2 -11.030 1.854 -4.917 1.00 2.78 H
ATOM 45 HH11 ARG A 2 -13.777 1.807 -2.733 1.00 3.85 H
ATOM 46 HH12 ARG A 2 -14.519 3.209 -3.437 1.00 4.97 H
ATOM 47 HH21 ARG A 2 -11.995 3.686 -5.828 1.00 4.37 H
ATOM 48 HH22 ARG A 2 -13.517 4.264 -5.221 1.00 5.17 H
ATOM 49 N TRP A 3 -8.400 0.373 -2.039 1.00 0.34 N
ATOM 50 CA TRP A 3 -7.143 0.996 -2.437 1.00 0.29 C
ATOM 51 C TRP A 3 -6.071 0.832 -1.361 1.00 0.22 C
ATOM 52 O TRP A 3 -4.887 0.732 -1.666 1.00 0.20 O
ATOM 53 CB TRP A 3 -7.345 2.472 -2.801 1.00 0.42 C
ATOM 54 CG TRP A 3 -7.972 3.301 -1.722 1.00 0.53 C
ATOM 55 CD1 TRP A 3 -9.302 3.404 -1.438 1.00 0.60 C
ATOM 56 CD2 TRP A 3 -7.297 4.167 -0.805 1.00 0.65 C
ATOM 57 NE1 TRP A 3 -9.495 4.274 -0.395 1.00 0.75 N
ATOM 58 CE2 TRP A 3 -8.279 4.755 0.013 1.00 0.79 C
ATOM 59 CE3 TRP A 3 -5.956 4.498 -0.592 1.00 0.67 C
ATOM 60 CZ2 TRP A 3 -7.962 5.658 1.026 1.00 0.95 C
ATOM 61 CZ3 TRP A 3 -5.642 5.393 0.413 1.00 0.83 C
ATOM 62 CH2 TRP A 3 -6.641 5.964 1.213 1.00 0.96 C
ATOM 63 H TRP A 3 -9.159 0.932 -1.782 1.00 0.39 H
ATOM 64 HA TRP A 3 -6.806 0.472 -3.320 1.00 0.31 H
ATOM 65 HB2 TRP A 3 -6.385 2.910 -3.033 1.00 0.44 H
ATOM 66 HB3 TRP A 3 -7.978 2.531 -3.675 1.00 0.48 H
ATOM 67 HD1 TRP A 3 -10.079 2.871 -1.964 1.00 0.57 H
ATOM 68 HE1 TRP A 3 -10.364 4.519 -0.007 1.00 0.84 H
ATOM 69 HE3 TRP A 3 -5.169 4.068 -1.195 1.00 0.59 H
ATOM 70 HZ2 TRP A 3 -8.718 6.105 1.653 1.00 1.06 H
ATOM 71 HZ3 TRP A 3 -4.610 5.657 0.591 1.00 0.86 H
ATOM 72 HH2 TRP A 3 -6.348 6.657 1.989 1.00 1.10 H
ATOM 73 N ARG A 4 -6.494 0.784 -0.101 1.00 0.25 N
ATOM 74 CA ARG A 4 -5.575 0.577 1.016 1.00 0.26 C
ATOM 75 C ARG A 4 -4.880 -0.775 0.910 1.00 0.20 C
ATOM 76 O ARG A 4 -3.756 -0.949 1.390 1.00 0.22 O
ATOM 77 CB ARG A 4 -6.299 0.715 2.354 1.00 0.39 C
ATOM 78 CG ARG A 4 -6.657 2.155 2.701 1.00 0.93 C
ATOM 79 CD ARG A 4 -5.414 3.012 2.937 1.00 0.78 C
ATOM 80 NE ARG A 4 -4.633 2.550 4.088 1.00 0.93 N
ATOM 81 CZ ARG A 4 -4.748 3.054 5.316 1.00 1.11 C
ATOM 82 NH1 ARG A 4 -5.661 3.982 5.575 1.00 1.09 N
ATOM 83 NH2 ARG A 4 -3.966 2.604 6.292 1.00 1.91 N
ATOM 84 H ARG A 4 -7.449 0.884 0.081 1.00 0.33 H
ATOM 85 HA ARG A 4 -4.823 1.344 0.956 1.00 0.29 H
ATOM 86 HB2 ARG A 4 -7.212 0.137 2.321 1.00 0.67 H
ATOM 87 HB3 ARG A 4 -5.663 0.326 3.133 1.00 0.82 H
ATOM 88 HG2 ARG A 4 -7.221 2.581 1.884 1.00 1.41 H
ATOM 89 HG3 ARG A 4 -7.261 2.162 3.596 1.00 1.45 H
ATOM 90 HD2 ARG A 4 -4.792 2.974 2.052 1.00 1.29 H
ATOM 91 HD3 ARG A 4 -5.723 4.034 3.110 1.00 1.06 H
ATOM 92 HE ARG A 4 -3.975 1.835 3.930 1.00 1.46 H
ATOM 93 HH11 ARG A 4 -6.278 4.306 4.847 1.00 1.34 H
ATOM 94 HH12 ARG A 4 -5.743 4.373 6.499 1.00 1.35 H
ATOM 95 HH21 ARG A 4 -3.286 1.881 6.103 1.00 2.46 H
ATOM 96 HH22 ARG A 4 -4.050 2.976 7.224 1.00 2.10 H
ATOM 97 N ARG A 5 -5.560 -1.729 0.294 1.00 0.22 N
ATOM 98 CA ARG A 5 -4.985 -3.041 0.041 1.00 0.29 C
ATOM 99 C ARG A 5 -3.695 -2.905 -0.772 1.00 0.25 C
ATOM 100 O ARG A 5 -2.658 -3.463 -0.410 1.00 0.32 O
ATOM 101 CB ARG A 5 -5.992 -3.922 -0.703 1.00 0.37 C
ATOM 102 CG ARG A 5 -5.468 -5.303 -1.055 1.00 0.90 C
ATOM 103 CD ARG A 5 -6.516 -6.113 -1.809 1.00 0.89 C
ATOM 104 NE ARG A 5 -6.013 -7.430 -2.207 1.00 1.49 N
ATOM 105 CZ ARG A 5 -6.451 -8.108 -3.273 1.00 1.77 C
ATOM 106 NH1 ARG A 5 -7.443 -7.625 -4.014 1.00 1.45 N
ATOM 107 NH2 ARG A 5 -5.911 -9.279 -3.581 1.00 2.70 N
ATOM 108 H ARG A 5 -6.475 -1.538 -0.008 1.00 0.24 H
ATOM 109 HA ARG A 5 -4.751 -3.491 0.993 1.00 0.37 H
ATOM 110 HB2 ARG A 5 -6.869 -4.043 -0.086 1.00 0.92 H
ATOM 111 HB3 ARG A 5 -6.275 -3.426 -1.621 1.00 0.72 H
ATOM 112 HG2 ARG A 5 -4.591 -5.196 -1.675 1.00 1.29 H
ATOM 113 HG3 ARG A 5 -5.207 -5.821 -0.143 1.00 1.42 H
ATOM 114 HD2 ARG A 5 -7.377 -6.246 -1.173 1.00 1.52 H
ATOM 115 HD3 ARG A 5 -6.805 -5.569 -2.696 1.00 0.93 H
ATOM 116 HE ARG A 5 -5.304 -7.825 -1.652 1.00 2.03 H
ATOM 117 HH11 ARG A 5 -7.873 -6.756 -3.777 1.00 1.37 H
ATOM 118 HH12 ARG A 5 -7.761 -8.132 -4.829 1.00 1.73 H
ATOM 119 HH21 ARG A 5 -5.171 -9.660 -3.011 1.00 3.26 H
ATOM 120 HH22 ARG A 5 -6.239 -9.795 -4.383 1.00 2.93 H
ATOM 121 N TRP A 6 -3.768 -2.157 -1.868 1.00 0.21 N
ATOM 122 CA TRP A 6 -2.602 -1.902 -2.710 1.00 0.27 C
ATOM 123 C TRP A 6 -1.654 -0.918 -2.024 1.00 0.22 C
ATOM 124 O TRP A 6 -0.439 -0.984 -2.197 1.00 0.26 O
ATOM 125 CB TRP A 6 -3.036 -1.339 -4.066 1.00 0.34 C
ATOM 126 CG TRP A 6 -4.150 -2.111 -4.710 1.00 0.35 C
ATOM 127 CD1 TRP A 6 -4.188 -3.451 -4.958 1.00 0.43 C
ATOM 128 CD2 TRP A 6 -5.388 -1.579 -5.190 1.00 0.34 C
ATOM 129 NE1 TRP A 6 -5.372 -3.782 -5.564 1.00 0.49 N
ATOM 130 CE2 TRP A 6 -6.126 -2.652 -5.718 1.00 0.43 C
ATOM 131 CE3 TRP A 6 -5.943 -0.296 -5.226 1.00 0.32 C
ATOM 132 CZ2 TRP A 6 -7.393 -2.482 -6.274 1.00 0.48 C
ATOM 133 CZ3 TRP A 6 -7.199 -0.128 -5.776 1.00 0.37 C
ATOM 134 CH2 TRP A 6 -7.913 -1.216 -6.294 1.00 0.44 C
ATOM 135 H TRP A 6 -4.629 -1.761 -2.117 1.00 0.19 H
ATOM 136 HA TRP A 6 -2.087 -2.839 -2.865 1.00 0.34 H
ATOM 137 HB2 TRP A 6 -3.373 -0.322 -3.933 1.00 0.34 H
ATOM 138 HB3 TRP A 6 -2.191 -1.346 -4.740 1.00 0.47 H
ATOM 139 HD1 TRP A 6 -3.396 -4.139 -4.712 1.00 0.48 H
ATOM 140 HE1 TRP A 6 -5.632 -4.678 -5.840 1.00 0.58 H
ATOM 141 HE3 TRP A 6 -5.408 0.556 -4.829 1.00 0.32 H
ATOM 142 HZ2 TRP A 6 -7.955 -3.309 -6.674 1.00 0.57 H
ATOM 143 HZ3 TRP A 6 -7.645 0.856 -5.808 1.00 0.39 H
ATOM 144 HH2 TRP A 6 -8.893 -1.040 -6.713 1.00 0.50 H
ATOM 145 N TRP A 7 -2.242 -0.005 -1.259 1.00 0.17 N
ATOM 146 CA TRP A 7 -1.507 1.011 -0.503 1.00 0.18 C
ATOM 147 C TRP A 7 -0.410 0.385 0.355 1.00 0.16 C
ATOM 148 O TRP A 7 0.756 0.770 0.262 1.00 0.19 O
ATOM 149 CB TRP A 7 -2.496 1.780 0.382 1.00 0.20 C
ATOM 150 CG TRP A 7 -1.906 2.906 1.171 1.00 0.34 C
ATOM 151 CD1 TRP A 7 -1.329 2.832 2.406 1.00 0.44 C
ATOM 152 CD2 TRP A 7 -1.870 4.282 0.790 1.00 0.51 C
ATOM 153 NE1 TRP A 7 -0.927 4.081 2.809 1.00 0.62 N
ATOM 154 CE2 TRP A 7 -1.251 4.986 1.836 1.00 0.65 C
ATOM 155 CE3 TRP A 7 -2.299 4.988 -0.340 1.00 0.62 C
ATOM 156 CZ2 TRP A 7 -1.054 6.362 1.790 1.00 0.85 C
ATOM 157 CZ3 TRP A 7 -2.102 6.352 -0.385 1.00 0.81 C
ATOM 158 CH2 TRP A 7 -1.485 7.028 0.676 1.00 0.91 C
ATOM 159 H TRP A 7 -3.224 -0.002 -1.213 1.00 0.17 H
ATOM 160 HA TRP A 7 -1.055 1.698 -1.204 1.00 0.25 H
ATOM 161 HB2 TRP A 7 -3.269 2.198 -0.245 1.00 0.28 H
ATOM 162 HB3 TRP A 7 -2.949 1.089 1.080 1.00 0.20 H
ATOM 163 HD1 TRP A 7 -1.208 1.919 2.969 1.00 0.45 H
ATOM 164 HE1 TRP A 7 -0.482 4.290 3.655 1.00 0.74 H
ATOM 165 HE3 TRP A 7 -2.776 4.484 -1.167 1.00 0.59 H
ATOM 166 HZ2 TRP A 7 -0.585 6.897 2.600 1.00 0.97 H
ATOM 167 HZ3 TRP A 7 -2.431 6.916 -1.249 1.00 0.92 H
ATOM 168 HH2 TRP A 7 -1.354 8.095 0.600 1.00 1.07 H
ATOM 169 N ARG A 8 -0.776 -0.584 1.186 1.00 0.16 N
ATOM 170 CA ARG A 8 0.201 -1.226 2.052 1.00 0.22 C
ATOM 171 C ARG A 8 1.162 -2.101 1.239 1.00 0.20 C
ATOM 172 O ARG A 8 2.326 -2.261 1.612 1.00 0.23 O
ATOM 173 CB ARG A 8 -0.472 -2.025 3.178 1.00 0.36 C
ATOM 174 CG ARG A 8 -1.285 -3.223 2.723 1.00 0.93 C
ATOM 175 CD ARG A 8 -1.737 -4.047 3.917 1.00 1.11 C
ATOM 176 NE ARG A 8 -2.484 -5.243 3.530 1.00 1.71 N
ATOM 177 CZ ARG A 8 -2.072 -6.484 3.789 1.00 2.38 C
ATOM 178 NH1 ARG A 8 -0.893 -6.678 4.366 1.00 2.43 N
ATOM 179 NH2 ARG A 8 -2.829 -7.530 3.466 1.00 3.45 N
ATOM 180 H ARG A 8 -1.716 -0.865 1.223 1.00 0.16 H
ATOM 181 HA ARG A 8 0.783 -0.432 2.501 1.00 0.28 H
ATOM 182 HB2 ARG A 8 0.294 -2.379 3.850 1.00 1.17 H
ATOM 183 HB3 ARG A 8 -1.129 -1.360 3.723 1.00 1.04 H
ATOM 184 HG2 ARG A 8 -2.154 -2.878 2.183 1.00 1.48 H
ATOM 185 HG3 ARG A 8 -0.675 -3.840 2.077 1.00 1.64 H
ATOM 186 HD2 ARG A 8 -0.865 -4.352 4.476 1.00 1.70 H
ATOM 187 HD3 ARG A 8 -2.366 -3.431 4.545 1.00 1.56 H
ATOM 188 HE ARG A 8 -3.346 -5.110 3.081 1.00 2.17 H
ATOM 189 HH11 ARG A 8 -0.315 -5.898 4.606 1.00 2.23 H
ATOM 190 HH12 ARG A 8 -0.573 -7.613 4.570 1.00 3.07 H
ATOM 191 HH21 ARG A 8 -3.717 -7.395 3.024 1.00 3.87 H
ATOM 192 HH22 ARG A 8 -2.513 -8.459 3.672 1.00 4.01 H
ATOM 193 N ARG A 9 0.672 -2.654 0.126 1.00 0.21 N
ATOM 194 CA ARG A 9 1.523 -3.398 -0.803 1.00 0.25 C
ATOM 195 C ARG A 9 2.660 -2.510 -1.293 1.00 0.21 C
ATOM 196 O ARG A 9 3.836 -2.859 -1.187 1.00 0.26 O
ATOM 197 CB ARG A 9 0.711 -3.878 -2.007 1.00 0.33 C
ATOM 198 CG ARG A 9 -0.107 -5.131 -1.771 1.00 1.21 C
ATOM 199 CD ARG A 9 -0.878 -5.498 -3.031 1.00 1.46 C
ATOM 200 NE ARG A 9 -1.415 -6.857 -2.991 1.00 2.08 N
ATOM 201 CZ ARG A 9 -1.818 -7.523 -4.072 1.00 2.69 C
ATOM 202 NH1 ARG A 9 -1.816 -6.936 -5.262 1.00 2.94 N
ATOM 203 NH2 ARG A 9 -2.224 -8.779 -3.967 1.00 3.48 N
ATOM 204 H ARG A 9 -0.280 -2.543 -0.083 1.00 0.22 H
ATOM 205 HA ARG A 9 1.931 -4.251 -0.288 1.00 0.30 H
ATOM 206 HB2 ARG A 9 0.033 -3.092 -2.289 1.00 0.74 H
ATOM 207 HB3 ARG A 9 1.386 -4.067 -2.829 1.00 0.93 H
ATOM 208 HG2 ARG A 9 0.555 -5.943 -1.512 1.00 1.80 H
ATOM 209 HG3 ARG A 9 -0.806 -4.954 -0.967 1.00 1.91 H
ATOM 210 HD2 ARG A 9 -1.695 -4.803 -3.150 1.00 1.70 H
ATOM 211 HD3 ARG A 9 -0.212 -5.413 -3.876 1.00 1.90 H
ATOM 212 HE ARG A 9 -1.446 -7.308 -2.110 1.00 2.43 H
ATOM 213 HH11 ARG A 9 -1.516 -5.979 -5.361 1.00 2.79 H
ATOM 214 HH12 ARG A 9 -2.107 -7.456 -6.081 1.00 3.57 H
ATOM 215 HH21 ARG A 9 -2.230 -9.236 -3.073 1.00 3.76 H
ATOM 216 HH22 ARG A 9 -2.527 -9.279 -4.785 1.00 3.99 H
ATOM 217 N TRP A 10 2.282 -1.352 -1.820 1.00 0.18 N
ATOM 218 CA TRP A 10 3.237 -0.365 -2.301 1.00 0.18 C
ATOM 219 C TRP A 10 4.218 0.031 -1.205 1.00 0.15 C
ATOM 220 O TRP A 10 5.432 0.069 -1.431 1.00 0.15 O
ATOM 221 CB TRP A 10 2.483 0.870 -2.813 1.00 0.24 C
ATOM 222 CG TRP A 10 3.249 2.151 -2.673 1.00 0.27 C
ATOM 223 CD1 TRP A 10 3.111 3.074 -1.678 1.00 0.32 C
ATOM 224 CD2 TRP A 10 4.269 2.650 -3.543 1.00 0.33 C
ATOM 225 NE1 TRP A 10 3.986 4.109 -1.869 1.00 0.39 N
ATOM 226 CE2 TRP A 10 4.706 3.876 -3.010 1.00 0.39 C
ATOM 227 CE3 TRP A 10 4.852 2.181 -4.715 1.00 0.39 C
ATOM 228 CZ2 TRP A 10 5.703 4.636 -3.608 1.00 0.48 C
ATOM 229 CZ3 TRP A 10 5.841 2.936 -5.313 1.00 0.49 C
ATOM 230 CH2 TRP A 10 6.258 4.152 -4.758 1.00 0.53 C
ATOM 231 H TRP A 10 1.320 -1.149 -1.881 1.00 0.20 H
ATOM 232 HA TRP A 10 3.787 -0.803 -3.118 1.00 0.19 H
ATOM 233 HB2 TRP A 10 2.256 0.733 -3.860 1.00 0.29 H
ATOM 234 HB3 TRP A 10 1.560 0.971 -2.260 1.00 0.27 H
ATOM 235 HD1 TRP A 10 2.418 2.982 -0.857 1.00 0.36 H
ATOM 236 HE1 TRP A 10 4.075 4.892 -1.287 1.00 0.45 H
ATOM 237 HE3 TRP A 10 4.545 1.246 -5.151 1.00 0.39 H
ATOM 238 HZ2 TRP A 10 6.039 5.572 -3.186 1.00 0.54 H
ATOM 239 HZ3 TRP A 10 6.303 2.588 -6.223 1.00 0.57 H
ATOM 240 HH2 TRP A 10 7.031 4.709 -5.260 1.00 0.62 H
ATOM 241 N TRP A 11 3.682 0.316 -0.025 1.00 0.16 N
ATOM 242 CA TRP A 11 4.484 0.751 1.107 1.00 0.17 C
ATOM 243 C TRP A 11 5.551 -0.285 1.429 1.00 0.14 C
ATOM 244 O TRP A 11 6.747 0.022 1.423 1.00 0.18 O
ATOM 245 CB TRP A 11 3.576 0.968 2.323 1.00 0.23 C
ATOM 246 CG TRP A 11 4.078 1.996 3.288 1.00 0.36 C
ATOM 247 CD1 TRP A 11 3.483 3.185 3.602 1.00 0.48 C
ATOM 248 CD2 TRP A 11 5.278 1.931 4.066 1.00 0.43 C
ATOM 249 NE1 TRP A 11 4.248 3.864 4.524 1.00 0.61 N
ATOM 250 CE2 TRP A 11 5.353 3.109 4.829 1.00 0.58 C
ATOM 251 CE3 TRP A 11 6.292 0.987 4.189 1.00 0.44 C
ATOM 252 CZ2 TRP A 11 6.409 3.362 5.703 1.00 0.71 C
ATOM 253 CZ3 TRP A 11 7.339 1.235 5.053 1.00 0.57 C
ATOM 254 CH2 TRP A 11 7.391 2.411 5.801 1.00 0.69 C
ATOM 255 H TRP A 11 2.708 0.229 0.088 1.00 0.19 H
ATOM 256 HA TRP A 11 4.967 1.679 0.854 1.00 0.20 H
ATOM 257 HB2 TRP A 11 2.599 1.280 1.984 1.00 0.28 H
ATOM 258 HB3 TRP A 11 3.481 0.032 2.855 1.00 0.24 H
ATOM 259 HD1 TRP A 11 2.552 3.531 3.174 1.00 0.51 H
ATOM 260 HE1 TRP A 11 4.032 4.741 4.907 1.00 0.72 H
ATOM 261 HE3 TRP A 11 6.268 0.074 3.612 1.00 0.37 H
ATOM 262 HZ2 TRP A 11 6.462 4.265 6.287 1.00 0.83 H
ATOM 263 HZ3 TRP A 11 8.134 0.512 5.160 1.00 0.61 H
ATOM 264 HH2 TRP A 11 8.233 2.563 6.458 1.00 0.80 H
ATOM 265 N ARG A 12 5.106 -1.512 1.680 1.00 0.16 N
ATOM 266 CA ARG A 12 5.989 -2.595 2.092 1.00 0.22 C
ATOM 267 C ARG A 12 7.020 -2.912 1.004 1.00 0.21 C
ATOM 268 O ARG A 12 8.138 -3.340 1.291 1.00 0.27 O
ATOM 269 CB ARG A 12 5.150 -3.835 2.415 1.00 0.33 C
ATOM 270 CG ARG A 12 5.887 -4.902 3.207 1.00 1.49 C
ATOM 271 CD ARG A 12 6.456 -4.344 4.502 1.00 1.87 C
ATOM 272 NE ARG A 12 5.432 -3.709 5.336 1.00 2.29 N
ATOM 273 CZ ARG A 12 5.673 -2.688 6.153 1.00 2.74 C
ATOM 274 NH1 ARG A 12 6.867 -2.119 6.173 1.00 3.00 N
ATOM 275 NH2 ARG A 12 4.708 -2.206 6.925 1.00 3.27 N
ATOM 276 H ARG A 12 4.144 -1.699 1.583 1.00 0.19 H
ATOM 277 HA ARG A 12 6.508 -2.283 2.984 1.00 0.27 H
ATOM 278 HB2 ARG A 12 4.289 -3.529 2.988 1.00 0.95 H
ATOM 279 HB3 ARG A 12 4.813 -4.278 1.487 1.00 0.86 H
ATOM 280 HG2 ARG A 12 5.198 -5.698 3.442 1.00 2.00 H
ATOM 281 HG3 ARG A 12 6.696 -5.290 2.606 1.00 2.03 H
ATOM 282 HD2 ARG A 12 6.903 -5.154 5.060 1.00 2.25 H
ATOM 283 HD3 ARG A 12 7.215 -3.613 4.261 1.00 1.95 H
ATOM 284 HE ARG A 12 4.517 -4.080 5.297 1.00 2.50 H
ATOM 285 HH11 ARG A 12 7.602 -2.452 5.562 1.00 2.91 H
ATOM 286 HH12 ARG A 12 7.053 -1.355 6.795 1.00 3.51 H
ATOM 287 HH21 ARG A 12 3.787 -2.608 6.895 1.00 3.44 H
ATOM 288 HH22 ARG A 12 4.897 -1.436 7.544 1.00 3.66 H
ATOM 289 N ARG A 13 6.627 -2.724 -0.247 1.00 0.18 N
ATOM 290 CA ARG A 13 7.524 -2.946 -1.375 1.00 0.22 C
ATOM 291 C ARG A 13 8.579 -1.852 -1.498 1.00 0.21 C
ATOM 292 O ARG A 13 9.779 -2.120 -1.400 1.00 0.25 O
ATOM 293 CB ARG A 13 6.737 -3.037 -2.685 1.00 0.28 C
ATOM 294 CG ARG A 13 6.249 -4.435 -3.025 1.00 0.93 C
ATOM 295 CD ARG A 13 7.415 -5.401 -3.194 1.00 1.38 C
ATOM 296 NE ARG A 13 8.414 -4.893 -4.138 1.00 1.86 N
ATOM 297 CZ ARG A 13 9.704 -5.232 -4.113 1.00 2.76 C
ATOM 298 NH1 ARG A 13 10.144 -6.115 -3.229 1.00 3.47 N
ATOM 299 NH2 ARG A 13 10.554 -4.702 -4.989 1.00 3.35 N
ATOM 300 H ARG A 13 5.707 -2.429 -0.419 1.00 0.17 H
ATOM 301 HA ARG A 13 8.028 -3.884 -1.216 1.00 0.28 H
ATOM 302 HB2 ARG A 13 5.880 -2.387 -2.624 1.00 0.66 H
ATOM 303 HB3 ARG A 13 7.376 -2.702 -3.485 1.00 0.82 H
ATOM 304 HG2 ARG A 13 5.612 -4.789 -2.229 1.00 1.57 H
ATOM 305 HG3 ARG A 13 5.688 -4.397 -3.949 1.00 1.64 H
ATOM 306 HD2 ARG A 13 7.885 -5.552 -2.233 1.00 2.01 H
ATOM 307 HD3 ARG A 13 7.036 -6.345 -3.559 1.00 1.74 H
ATOM 308 HE ARG A 13 8.104 -4.255 -4.819 1.00 1.99 H
ATOM 309 HH11 ARG A 13 9.505 -6.541 -2.572 1.00 3.38 H
ATOM 310 HH12 ARG A 13 11.120 -6.357 -3.197 1.00 4.31 H
ATOM 311 HH21 ARG A 13 10.232 -4.043 -5.676 1.00 3.32 H
ATOM 312 HH22 ARG A 13 11.527 -4.953 -4.963 1.00 4.06 H
ATOM 313 N TRP A 14 8.130 -0.630 -1.743 1.00 0.20 N
ATOM 314 CA TRP A 14 9.034 0.456 -2.087 1.00 0.24 C
ATOM 315 C TRP A 14 9.805 0.986 -0.879 1.00 0.21 C
ATOM 316 O TRP A 14 11.036 1.020 -0.889 1.00 0.27 O
ATOM 317 CB TRP A 14 8.267 1.591 -2.760 1.00 0.31 C
ATOM 318 CG TRP A 14 9.160 2.550 -3.493 1.00 0.42 C
ATOM 319 CD1 TRP A 14 9.546 2.468 -4.801 1.00 0.54 C
ATOM 320 CD2 TRP A 14 9.776 3.735 -2.967 1.00 0.48 C
ATOM 321 NE1 TRP A 14 10.374 3.517 -5.115 1.00 0.64 N
ATOM 322 CE2 TRP A 14 10.523 4.312 -4.010 1.00 0.60 C
ATOM 323 CE3 TRP A 14 9.768 4.364 -1.718 1.00 0.49 C
ATOM 324 CZ2 TRP A 14 11.252 5.484 -3.842 1.00 0.70 C
ATOM 325 CZ3 TRP A 14 10.491 5.529 -1.555 1.00 0.62 C
ATOM 326 CH2 TRP A 14 11.222 6.077 -2.611 1.00 0.71 C
ATOM 327 H TRP A 14 7.165 -0.450 -1.679 1.00 0.19 H
ATOM 328 HA TRP A 14 9.748 0.067 -2.792 1.00 0.30 H
ATOM 329 HB2 TRP A 14 7.567 1.174 -3.471 1.00 0.37 H
ATOM 330 HB3 TRP A 14 7.722 2.147 -2.010 1.00 0.26 H
ATOM 331 HD1 TRP A 14 9.248 1.679 -5.476 1.00 0.59 H
ATOM 332 HE1 TRP A 14 10.787 3.674 -5.992 1.00 0.74 H
ATOM 333 HE3 TRP A 14 9.208 3.953 -0.885 1.00 0.44 H
ATOM 334 HZ2 TRP A 14 11.823 5.921 -4.645 1.00 0.80 H
ATOM 335 HZ3 TRP A 14 10.493 6.032 -0.602 1.00 0.67 H
ATOM 336 HH2 TRP A 14 11.770 6.989 -2.436 1.00 0.80 H
ATOM 337 N ARG A 15 9.081 1.413 0.150 1.00 0.20 N
ATOM 338 CA ARG A 15 9.699 2.114 1.270 1.00 0.22 C
ATOM 339 C ARG A 15 10.512 1.155 2.136 1.00 0.26 C
ATOM 340 O ARG A 15 11.738 1.272 2.198 1.00 0.44 O
ATOM 341 CB ARG A 15 8.637 2.836 2.105 1.00 0.41 C
ATOM 342 CG ARG A 15 8.130 4.129 1.479 1.00 0.57 C
ATOM 343 CD ARG A 15 7.175 3.873 0.321 1.00 0.40 C
ATOM 344 NE ARG A 15 6.826 5.109 -0.383 1.00 0.46 N
ATOM 345 CZ ARG A 15 5.970 6.019 0.083 1.00 0.82 C
ATOM 346 NH1 ARG A 15 5.319 5.810 1.222 1.00 1.35 N
ATOM 347 NH2 ARG A 15 5.754 7.133 -0.602 1.00 0.88 N
ATOM 348 H ARG A 15 8.125 1.220 0.173 1.00 0.25 H
ATOM 349 HA ARG A 15 10.368 2.850 0.857 1.00 0.28 H
ATOM 350 HB2 ARG A 15 7.792 2.175 2.230 1.00 0.94 H
ATOM 351 HB3 ARG A 15 9.051 3.067 3.074 1.00 1.01 H
ATOM 352 HG2 ARG A 15 7.612 4.701 2.232 1.00 1.12 H
ATOM 353 HG3 ARG A 15 8.975 4.694 1.119 1.00 1.13 H
ATOM 354 HD2 ARG A 15 7.646 3.193 -0.373 1.00 0.45 H
ATOM 355 HD3 ARG A 15 6.274 3.425 0.709 1.00 0.45 H
ATOM 356 HE ARG A 15 7.266 5.276 -1.253 1.00 0.63 H
ATOM 357 HH11 ARG A 15 5.464 4.967 1.737 1.00 1.40 H
ATOM 358 HH12 ARG A 15 4.676 6.510 1.577 1.00 1.76 H
ATOM 359 HH21 ARG A 15 6.236 7.290 -1.477 1.00 0.77 H
ATOM 360 HH22 ARG A 15 5.115 7.825 -0.254 1.00 1.22 H
ATOM 361 N ARG A 16 9.812 0.212 2.780 1.00 0.40 N
ATOM 362 CA ARG A 16 10.426 -0.903 3.499 1.00 0.55 C
ATOM 363 C ARG A 16 9.445 -1.514 4.487 1.00 1.46 C
ATOM 364 O ARG A 16 8.808 -2.523 4.143 1.00 2.20 O
ATOM 365 CB ARG A 16 11.692 -0.520 4.256 1.00 1.14 C
ATOM 366 CG ARG A 16 12.419 -1.746 4.749 1.00 2.07 C
ATOM 367 CD ARG A 16 12.742 -2.670 3.586 1.00 2.76 C
ATOM 368 NE ARG A 16 13.005 -4.042 4.015 1.00 3.02 N
ATOM 369 CZ ARG A 16 12.078 -5.008 4.019 1.00 3.81 C
ATOM 370 NH1 ARG A 16 10.808 -4.734 3.721 1.00 4.43 N
ATOM 371 NH2 ARG A 16 12.421 -6.246 4.337 1.00 4.37 N
ATOM 372 OXT ARG A 16 9.332 -0.991 5.612 1.00 2.24 O
ATOM 373 H ARG A 16 8.841 0.264 2.774 1.00 0.55 H
ATOM 374 HA ARG A 16 10.674 -1.654 2.769 1.00 1.33 H
ATOM 375 HB2 ARG A 16 12.348 0.034 3.599 1.00 1.66 H
ATOM 376 HB3 ARG A 16 11.432 0.090 5.106 1.00 1.64 H
ATOM 377 HG2 ARG A 16 13.333 -1.449 5.235 1.00 2.52 H
ATOM 378 HG3 ARG A 16 11.780 -2.265 5.443 1.00 2.56 H
ATOM 379 HD2 ARG A 16 11.902 -2.674 2.909 1.00 3.30 H
ATOM 380 HD3 ARG A 16 13.614 -2.287 3.075 1.00 3.15 H
ATOM 381 HE ARG A 16 13.924 -4.265 4.282 1.00 2.98 H
ATOM 382 HH11 ARG A 16 10.526 -3.796 3.492 1.00 4.37 H
ATOM 383 HH12 ARG A 16 10.116 -5.470 3.723 1.00 5.17 H
ATOM 384 HH21 ARG A 16 13.377 -6.464 4.575 1.00 4.32 H
ATOM 385 HH22 ARG A 16 11.730 -6.979 4.337 1.00 5.07 H
TER 386 ARG A 16
ENDMDL
MODEL 2
ATOM 1 N ARG A 1 -12.164 1.476 2.607 1.00 0.94 N
ATOM 2 CA ARG A 1 -11.006 1.954 1.865 1.00 0.72 C
ATOM 3 C ARG A 1 -10.285 0.779 1.203 1.00 0.60 C
ATOM 4 O ARG A 1 -9.259 0.311 1.694 1.00 0.64 O
ATOM 5 CB ARG A 1 -10.041 2.699 2.796 1.00 1.24 C
ATOM 6 CG ARG A 1 -10.657 3.891 3.511 1.00 1.81 C
ATOM 7 CD ARG A 1 -9.698 4.466 4.544 1.00 2.42 C
ATOM 8 NE ARG A 1 -10.254 5.630 5.232 1.00 3.29 N
ATOM 9 CZ ARG A 1 -9.541 6.452 5.998 1.00 4.10 C
ATOM 10 NH1 ARG A 1 -8.260 6.216 6.228 1.00 4.22 N
ATOM 11 NH2 ARG A 1 -10.121 7.500 6.560 1.00 5.01 N
ATOM 12 H ARG A 1 -12.059 1.256 3.560 1.00 1.36 H
ATOM 13 HA ARG A 1 -11.354 2.632 1.098 1.00 0.90 H
ATOM 14 HB2 ARG A 1 -9.684 2.006 3.543 1.00 1.52 H
ATOM 15 HB3 ARG A 1 -9.200 3.051 2.218 1.00 1.64 H
ATOM 16 HG2 ARG A 1 -10.894 4.655 2.786 1.00 2.17 H
ATOM 17 HG3 ARG A 1 -11.560 3.568 4.009 1.00 2.13 H
ATOM 18 HD2 ARG A 1 -9.482 3.703 5.277 1.00 2.35 H
ATOM 19 HD3 ARG A 1 -8.781 4.755 4.047 1.00 2.78 H
ATOM 20 HE ARG A 1 -11.211 5.811 5.108 1.00 3.48 H
ATOM 21 HH11 ARG A 1 -7.813 5.403 5.834 1.00 3.76 H
ATOM 22 HH12 ARG A 1 -7.724 6.853 6.793 1.00 4.94 H
ATOM 23 HH21 ARG A 1 -11.101 7.678 6.409 1.00 5.16 H
ATOM 24 HH22 ARG A 1 -9.589 8.122 7.143 1.00 5.67 H
ATOM 25 N ARG A 2 -10.844 0.290 0.099 1.00 0.54 N
ATOM 26 CA ARG A 2 -10.276 -0.864 -0.600 1.00 0.51 C
ATOM 27 C ARG A 2 -8.915 -0.552 -1.214 1.00 0.39 C
ATOM 28 O ARG A 2 -8.076 -1.436 -1.350 1.00 0.41 O
ATOM 29 CB ARG A 2 -11.252 -1.430 -1.647 1.00 0.59 C
ATOM 30 CG ARG A 2 -11.995 -0.396 -2.482 1.00 1.27 C
ATOM 31 CD ARG A 2 -11.096 0.304 -3.486 1.00 2.13 C
ATOM 32 NE ARG A 2 -11.875 1.070 -4.457 1.00 2.80 N
ATOM 33 CZ ARG A 2 -11.447 2.171 -5.069 1.00 3.73 C
ATOM 34 NH1 ARG A 2 -10.225 2.632 -4.835 1.00 4.17 N
ATOM 35 NH2 ARG A 2 -12.242 2.799 -5.928 1.00 4.44 N
ATOM 36 H ARG A 2 -11.666 0.703 -0.243 1.00 0.59 H
ATOM 37 HA ARG A 2 -10.122 -1.624 0.149 1.00 0.60 H
ATOM 38 HB2 ARG A 2 -10.698 -2.060 -2.322 1.00 0.87 H
ATOM 39 HB3 ARG A 2 -11.987 -2.034 -1.137 1.00 1.05 H
ATOM 40 HG2 ARG A 2 -12.787 -0.894 -3.022 1.00 1.80 H
ATOM 41 HG3 ARG A 2 -12.421 0.342 -1.820 1.00 1.44 H
ATOM 42 HD2 ARG A 2 -10.439 0.977 -2.951 1.00 2.58 H
ATOM 43 HD3 ARG A 2 -10.508 -0.436 -4.008 1.00 2.36 H
ATOM 44 HE ARG A 2 -12.789 0.736 -4.667 1.00 2.78 H
ATOM 45 HH11 ARG A 2 -9.621 2.155 -4.202 1.00 3.85 H
ATOM 46 HH12 ARG A 2 -9.900 3.469 -5.295 1.00 4.97 H
ATOM 47 HH21 ARG A 2 -13.162 2.445 -6.112 1.00 4.37 H
ATOM 48 HH22 ARG A 2 -11.934 3.637 -6.388 1.00 5.17 H
ATOM 49 N TRP A 3 -8.701 0.705 -1.577 1.00 0.34 N
ATOM 50 CA TRP A 3 -7.432 1.131 -2.161 1.00 0.29 C
ATOM 51 C TRP A 3 -6.274 0.896 -1.191 1.00 0.22 C
ATOM 52 O TRP A 3 -5.140 0.667 -1.608 1.00 0.20 O
ATOM 53 CB TRP A 3 -7.490 2.600 -2.595 1.00 0.42 C
ATOM 54 CG TRP A 3 -8.076 3.522 -1.569 1.00 0.53 C
ATOM 55 CD1 TRP A 3 -9.400 3.790 -1.372 1.00 0.60 C
ATOM 56 CD2 TRP A 3 -7.358 4.313 -0.613 1.00 0.65 C
ATOM 57 NE1 TRP A 3 -9.553 4.680 -0.344 1.00 0.75 N
ATOM 58 CE2 TRP A 3 -8.316 5.020 0.137 1.00 0.79 C
ATOM 59 CE3 TRP A 3 -6.001 4.484 -0.314 1.00 0.67 C
ATOM 60 CZ2 TRP A 3 -7.960 5.890 1.165 1.00 0.95 C
ATOM 61 CZ3 TRP A 3 -5.650 5.352 0.707 1.00 0.83 C
ATOM 62 CH2 TRP A 3 -6.626 6.042 1.435 1.00 0.96 C
ATOM 63 H TRP A 3 -9.406 1.364 -1.436 1.00 0.39 H
ATOM 64 HA TRP A 3 -7.267 0.522 -3.038 1.00 0.31 H
ATOM 65 HB2 TRP A 3 -6.487 2.943 -2.809 1.00 0.44 H
ATOM 66 HB3 TRP A 3 -8.087 2.677 -3.492 1.00 0.48 H
ATOM 67 HD1 TRP A 3 -10.202 3.346 -1.944 1.00 0.57 H
ATOM 68 HE1 TRP A 3 -10.417 5.026 -0.009 1.00 0.84 H
ATOM 69 HE3 TRP A 3 -5.233 3.959 -0.868 1.00 0.59 H
ATOM 70 HZ2 TRP A 3 -8.700 6.429 1.739 1.00 1.06 H
ATOM 71 HZ3 TRP A 3 -4.607 5.501 0.951 1.00 0.86 H
ATOM 72 HH2 TRP A 3 -6.307 6.709 2.224 1.00 1.10 H
ATOM 73 N ARG A 4 -6.573 0.951 0.107 1.00 0.25 N
ATOM 74 CA ARG A 4 -5.576 0.705 1.146 1.00 0.26 C
ATOM 75 C ARG A 4 -4.928 -0.675 0.996 1.00 0.20 C
ATOM 76 O ARG A 4 -3.783 -0.880 1.402 1.00 0.22 O
ATOM 77 CB ARG A 4 -6.197 0.864 2.532 1.00 0.39 C
ATOM 78 CG ARG A 4 -6.527 2.311 2.878 1.00 0.93 C
ATOM 79 CD ARG A 4 -5.276 3.113 3.229 1.00 0.78 C
ATOM 80 NE ARG A 4 -4.769 2.780 4.558 1.00 0.93 N
ATOM 81 CZ ARG A 4 -4.031 3.602 5.310 1.00 1.11 C
ATOM 82 NH1 ARG A 4 -3.652 4.788 4.843 1.00 1.09 N
ATOM 83 NH2 ARG A 4 -3.669 3.234 6.530 1.00 1.91 N
ATOM 84 H ARG A 4 -7.495 1.153 0.372 1.00 0.33 H
ATOM 85 HA ARG A 4 -4.806 1.447 1.027 1.00 0.29 H
ATOM 86 HB2 ARG A 4 -7.111 0.287 2.574 1.00 0.67 H
ATOM 87 HB3 ARG A 4 -5.506 0.487 3.269 1.00 0.82 H
ATOM 88 HG2 ARG A 4 -7.008 2.768 2.028 1.00 1.41 H
ATOM 89 HG3 ARG A 4 -7.201 2.322 3.724 1.00 1.45 H
ATOM 90 HD2 ARG A 4 -4.507 2.902 2.498 1.00 1.29 H
ATOM 91 HD3 ARG A 4 -5.516 4.165 3.200 1.00 1.06 H
ATOM 92 HE ARG A 4 -5.008 1.888 4.924 1.00 1.46 H
ATOM 93 HH11 ARG A 4 -3.919 5.080 3.924 1.00 1.34 H
ATOM 94 HH12 ARG A 4 -3.093 5.400 5.416 1.00 1.35 H
ATOM 95 HH21 ARG A 4 -3.950 2.337 6.896 1.00 2.46 H
ATOM 96 HH22 ARG A 4 -3.117 3.851 7.106 1.00 2.10 H
ATOM 97 N ARG A 5 -5.674 -1.618 0.436 1.00 0.22 N
ATOM 98 CA ARG A 5 -5.147 -2.950 0.157 1.00 0.29 C
ATOM 99 C ARG A 5 -3.876 -2.856 -0.690 1.00 0.25 C
ATOM 100 O ARG A 5 -2.830 -3.409 -0.333 1.00 0.32 O
ATOM 101 CB ARG A 5 -6.197 -3.799 -0.575 1.00 0.37 C
ATOM 102 CG ARG A 5 -5.694 -5.170 -1.002 1.00 0.90 C
ATOM 103 CD ARG A 5 -6.691 -5.892 -1.898 1.00 0.89 C
ATOM 104 NE ARG A 5 -7.936 -6.231 -1.208 1.00 1.49 N
ATOM 105 CZ ARG A 5 -8.974 -6.843 -1.790 1.00 1.77 C
ATOM 106 NH1 ARG A 5 -8.943 -7.149 -3.086 1.00 1.45 N
ATOM 107 NH2 ARG A 5 -10.042 -7.139 -1.068 1.00 2.70 N
ATOM 108 H ARG A 5 -6.604 -1.409 0.193 1.00 0.24 H
ATOM 109 HA ARG A 5 -4.908 -3.419 1.100 1.00 0.37 H
ATOM 110 HB2 ARG A 5 -7.044 -3.939 0.078 1.00 0.92 H
ATOM 111 HB3 ARG A 5 -6.519 -3.265 -1.459 1.00 0.72 H
ATOM 112 HG2 ARG A 5 -4.769 -5.047 -1.542 1.00 1.29 H
ATOM 113 HG3 ARG A 5 -5.517 -5.768 -0.119 1.00 1.42 H
ATOM 114 HD2 ARG A 5 -6.923 -5.254 -2.735 1.00 1.52 H
ATOM 115 HD3 ARG A 5 -6.233 -6.802 -2.258 1.00 0.93 H
ATOM 116 HE ARG A 5 -7.998 -6.001 -0.254 1.00 2.03 H
ATOM 117 HH11 ARG A 5 -8.137 -6.922 -3.642 1.00 1.37 H
ATOM 118 HH12 ARG A 5 -9.729 -7.606 -3.516 1.00 1.73 H
ATOM 119 HH21 ARG A 5 -10.065 -6.906 -0.089 1.00 3.26 H
ATOM 120 HH22 ARG A 5 -10.834 -7.602 -1.491 1.00 2.93 H
ATOM 121 N TRP A 6 -3.975 -2.153 -1.808 1.00 0.21 N
ATOM 122 CA TRP A 6 -2.845 -1.972 -2.710 1.00 0.27 C
ATOM 123 C TRP A 6 -1.838 -1.000 -2.105 1.00 0.22 C
ATOM 124 O TRP A 6 -0.635 -1.104 -2.342 1.00 0.26 O
ATOM 125 CB TRP A 6 -3.335 -1.459 -4.065 1.00 0.34 C
ATOM 126 CG TRP A 6 -4.547 -2.186 -4.565 1.00 0.35 C
ATOM 127 CD1 TRP A 6 -4.694 -3.534 -4.731 1.00 0.43 C
ATOM 128 CD2 TRP A 6 -5.789 -1.595 -4.966 1.00 0.34 C
ATOM 129 NE1 TRP A 6 -5.950 -3.816 -5.202 1.00 0.49 N
ATOM 130 CE2 TRP A 6 -6.641 -2.642 -5.362 1.00 0.43 C
ATOM 131 CE3 TRP A 6 -6.261 -0.282 -5.031 1.00 0.32 C
ATOM 132 CZ2 TRP A 6 -7.940 -2.417 -5.811 1.00 0.48 C
ATOM 133 CZ3 TRP A 6 -7.550 -0.057 -5.479 1.00 0.37 C
ATOM 134 CH2 TRP A 6 -8.376 -1.121 -5.863 1.00 0.44 C
ATOM 135 H TRP A 6 -4.833 -1.733 -2.031 1.00 0.19 H
ATOM 136 HA TRP A 6 -2.366 -2.932 -2.846 1.00 0.34 H
ATOM 137 HB2 TRP A 6 -3.586 -0.411 -3.978 1.00 0.34 H
ATOM 138 HB3 TRP A 6 -2.548 -1.577 -4.794 1.00 0.47 H
ATOM 139 HD1 TRP A 6 -3.930 -4.263 -4.512 1.00 0.48 H
ATOM 140 HE1 TRP A 6 -6.297 -4.718 -5.396 1.00 0.58 H
ATOM 141 HE3 TRP A 6 -5.637 0.553 -4.735 1.00 0.32 H
ATOM 142 HZ2 TRP A 6 -8.589 -3.228 -6.114 1.00 0.57 H
ATOM 143 HZ3 TRP A 6 -7.935 0.953 -5.532 1.00 0.39 H
ATOM 144 HH2 TRP A 6 -9.375 -0.900 -6.206 1.00 0.50 H
ATOM 145 N TRP A 7 -2.358 -0.056 -1.327 1.00 0.17 N
ATOM 146 CA TRP A 7 -1.549 0.925 -0.605 1.00 0.18 C
ATOM 147 C TRP A 7 -0.439 0.239 0.200 1.00 0.16 C
ATOM 148 O TRP A 7 0.727 0.632 0.130 1.00 0.19 O
ATOM 149 CB TRP A 7 -2.475 1.727 0.316 1.00 0.20 C
ATOM 150 CG TRP A 7 -1.819 2.818 1.105 1.00 0.34 C
ATOM 151 CD1 TRP A 7 -1.219 2.700 2.324 1.00 0.44 C
ATOM 152 CD2 TRP A 7 -1.737 4.202 0.745 1.00 0.51 C
ATOM 153 NE1 TRP A 7 -0.772 3.927 2.747 1.00 0.62 N
ATOM 154 CE2 TRP A 7 -1.072 4.864 1.791 1.00 0.65 C
ATOM 155 CE3 TRP A 7 -2.159 4.942 -0.366 1.00 0.62 C
ATOM 156 CZ2 TRP A 7 -0.825 6.232 1.766 1.00 0.85 C
ATOM 157 CZ3 TRP A 7 -1.909 6.301 -0.391 1.00 0.81 C
ATOM 158 CH2 TRP A 7 -1.248 6.932 0.669 1.00 0.91 C
ATOM 159 H TRP A 7 -3.335 -0.006 -1.245 1.00 0.17 H
ATOM 160 HA TRP A 7 -1.102 1.591 -1.326 1.00 0.25 H
ATOM 161 HB2 TRP A 7 -3.245 2.186 -0.286 1.00 0.28 H
ATOM 162 HB3 TRP A 7 -2.945 1.047 1.014 1.00 0.20 H
ATOM 163 HD1 TRP A 7 -1.124 1.771 2.870 1.00 0.45 H
ATOM 164 HE1 TRP A 7 -0.308 4.103 3.598 1.00 0.74 H
ATOM 165 HE3 TRP A 7 -2.669 4.470 -1.194 1.00 0.59 H
ATOM 166 HZ2 TRP A 7 -0.318 6.732 2.572 1.00 0.97 H
ATOM 167 HZ3 TRP A 7 -2.225 6.889 -1.237 1.00 0.92 H
ATOM 168 HH2 TRP A 7 -1.074 7.995 0.606 1.00 1.07 H
ATOM 169 N ARG A 8 -0.811 -0.799 0.945 1.00 0.16 N
ATOM 170 CA ARG A 8 0.146 -1.553 1.757 1.00 0.22 C
ATOM 171 C ARG A 8 1.194 -2.229 0.878 1.00 0.20 C
ATOM 172 O ARG A 8 2.365 -2.335 1.250 1.00 0.23 O
ATOM 173 CB ARG A 8 -0.566 -2.630 2.574 1.00 0.36 C
ATOM 174 CG ARG A 8 -1.721 -2.117 3.411 1.00 0.93 C
ATOM 175 CD ARG A 8 -2.384 -3.251 4.171 1.00 1.11 C
ATOM 176 NE ARG A 8 -2.740 -4.367 3.289 1.00 1.71 N
ATOM 177 CZ ARG A 8 -3.698 -5.256 3.550 1.00 2.38 C
ATOM 178 NH1 ARG A 8 -4.425 -5.157 4.656 1.00 2.43 N
ATOM 179 NH2 ARG A 8 -3.915 -6.257 2.707 1.00 3.45 N
ATOM 180 H ARG A 8 -1.757 -1.059 0.955 1.00 0.16 H
ATOM 181 HA ARG A 8 0.637 -0.863 2.425 1.00 0.28 H
ATOM 182 HB2 ARG A 8 -0.950 -3.380 1.899 1.00 1.17 H
ATOM 183 HB3 ARG A 8 0.150 -3.091 3.238 1.00 1.04 H
ATOM 184 HG2 ARG A 8 -1.347 -1.392 4.118 1.00 1.48 H
ATOM 185 HG3 ARG A 8 -2.449 -1.652 2.762 1.00 1.64 H
ATOM 186 HD2 ARG A 8 -1.697 -3.607 4.926 1.00 1.70 H
ATOM 187 HD3 ARG A 8 -3.277 -2.875 4.646 1.00 1.56 H
ATOM 188 HE ARG A 8 -2.220 -4.471 2.459 1.00 2.17 H
ATOM 189 HH11 ARG A 8 -4.256 -4.415 5.306 1.00 2.23 H
ATOM 190 HH12 ARG A 8 -5.150 -5.834 4.846 1.00 3.07 H
ATOM 191 HH21 ARG A 8 -3.355 -6.345 1.870 1.00 3.87 H
ATOM 192 HH22 ARG A 8 -4.625 -6.941 2.903 1.00 4.01 H
ATOM 193 N ARG A 9 0.757 -2.685 -0.289 1.00 0.21 N
ATOM 194 CA ARG A 9 1.618 -3.422 -1.207 1.00 0.25 C
ATOM 195 C ARG A 9 2.722 -2.518 -1.738 1.00 0.21 C
ATOM 196 O ARG A 9 3.858 -2.946 -1.919 1.00 0.26 O
ATOM 197 CB ARG A 9 0.776 -3.991 -2.349 1.00 0.33 C
ATOM 198 CG ARG A 9 1.510 -4.974 -3.246 1.00 1.21 C
ATOM 199 CD ARG A 9 0.550 -5.623 -4.230 1.00 1.46 C
ATOM 200 NE ARG A 9 1.194 -6.622 -5.083 1.00 2.08 N
ATOM 201 CZ ARG A 9 0.799 -7.893 -5.156 1.00 2.69 C
ATOM 202 NH1 ARG A 9 -0.161 -8.333 -4.352 1.00 2.94 N
ATOM 203 NH2 ARG A 9 1.375 -8.728 -6.015 1.00 3.48 N
ATOM 204 H ARG A 9 -0.172 -2.516 -0.545 1.00 0.22 H
ATOM 205 HA ARG A 9 2.070 -4.235 -0.660 1.00 0.30 H
ATOM 206 HB2 ARG A 9 -0.081 -4.499 -1.929 1.00 0.74 H
ATOM 207 HB3 ARG A 9 0.429 -3.171 -2.961 1.00 0.93 H
ATOM 208 HG2 ARG A 9 2.274 -4.446 -3.795 1.00 1.80 H
ATOM 209 HG3 ARG A 9 1.963 -5.741 -2.633 1.00 1.91 H
ATOM 210 HD2 ARG A 9 -0.244 -6.100 -3.674 1.00 1.70 H
ATOM 211 HD3 ARG A 9 0.130 -4.851 -4.857 1.00 1.90 H
ATOM 212 HE ARG A 9 1.935 -6.321 -5.653 1.00 2.43 H
ATOM 213 HH11 ARG A 9 -0.583 -7.715 -3.689 1.00 2.79 H
ATOM 214 HH12 ARG A 9 -0.466 -9.293 -4.402 1.00 3.57 H
ATOM 215 HH21 ARG A 9 2.118 -8.411 -6.617 1.00 3.76 H
ATOM 216 HH22 ARG A 9 1.066 -9.688 -6.073 1.00 3.99 H
ATOM 217 N TRP A 10 2.376 -1.265 -1.973 1.00 0.18 N
ATOM 218 CA TRP A 10 3.351 -0.259 -2.368 1.00 0.18 C
ATOM 219 C TRP A 10 4.249 0.111 -1.186 1.00 0.15 C
ATOM 220 O TRP A 10 5.465 0.250 -1.334 1.00 0.15 O
ATOM 221 CB TRP A 10 2.619 0.976 -2.918 1.00 0.24 C
ATOM 222 CG TRP A 10 3.279 2.277 -2.578 1.00 0.27 C
ATOM 223 CD1 TRP A 10 2.933 3.113 -1.561 1.00 0.32 C
ATOM 224 CD2 TRP A 10 4.390 2.890 -3.243 1.00 0.33 C
ATOM 225 NE1 TRP A 10 3.761 4.203 -1.542 1.00 0.39 N
ATOM 226 CE2 TRP A 10 4.666 4.093 -2.563 1.00 0.39 C
ATOM 227 CE3 TRP A 10 5.178 2.545 -4.342 1.00 0.39 C
ATOM 228 CZ2 TRP A 10 5.697 4.946 -2.942 1.00 0.48 C
ATOM 229 CZ3 TRP A 10 6.203 3.394 -4.717 1.00 0.49 C
ATOM 230 CH2 TRP A 10 6.453 4.581 -4.019 1.00 0.53 C
ATOM 231 H TRP A 10 1.434 -1.004 -1.881 1.00 0.20 H
ATOM 232 HA TRP A 10 3.964 -0.676 -3.147 1.00 0.19 H
ATOM 233 HB2 TRP A 10 2.564 0.900 -3.994 1.00 0.29 H
ATOM 234 HB3 TRP A 10 1.616 0.997 -2.516 1.00 0.27 H
ATOM 235 HD1 TRP A 10 2.123 2.927 -0.874 1.00 0.36 H
ATOM 236 HE1 TRP A 10 3.711 4.941 -0.904 1.00 0.45 H
ATOM 237 HE3 TRP A 10 5.000 1.634 -4.894 1.00 0.39 H
ATOM 238 HZ2 TRP A 10 5.910 5.860 -2.404 1.00 0.54 H
ATOM 239 HZ3 TRP A 10 6.827 3.143 -5.562 1.00 0.57 H
ATOM 240 HH2 TRP A 10 7.265 5.213 -4.348 1.00 0.62 H
ATOM 241 N TRP A 11 3.639 0.240 -0.015 1.00 0.16 N
ATOM 242 CA TRP A 11 4.338 0.682 1.183 1.00 0.17 C
ATOM 243 C TRP A 11 5.485 -0.268 1.537 1.00 0.14 C
ATOM 244 O TRP A 11 6.652 0.127 1.531 1.00 0.18 O
ATOM 245 CB TRP A 11 3.342 0.783 2.343 1.00 0.23 C
ATOM 246 CG TRP A 11 3.633 1.894 3.307 1.00 0.36 C
ATOM 247 CD1 TRP A 11 2.864 2.997 3.534 1.00 0.48 C
ATOM 248 CD2 TRP A 11 4.772 2.016 4.159 1.00 0.43 C
ATOM 249 NE1 TRP A 11 3.454 3.795 4.485 1.00 0.61 N
ATOM 250 CE2 TRP A 11 4.628 3.213 4.883 1.00 0.58 C
ATOM 251 CE3 TRP A 11 5.897 1.226 4.383 1.00 0.44 C
ATOM 252 CZ2 TRP A 11 5.574 3.640 5.813 1.00 0.71 C
ATOM 253 CZ3 TRP A 11 6.833 1.646 5.304 1.00 0.57 C
ATOM 254 CH2 TRP A 11 6.666 2.842 6.012 1.00 0.69 C
ATOM 255 H TRP A 11 2.678 0.043 0.044 1.00 0.19 H
ATOM 256 HA TRP A 11 4.755 1.659 0.988 1.00 0.20 H
ATOM 257 HB2 TRP A 11 2.354 0.946 1.939 1.00 0.28 H
ATOM 258 HB3 TRP A 11 3.352 -0.145 2.896 1.00 0.24 H
ATOM 259 HD1 TRP A 11 1.929 3.199 3.037 1.00 0.51 H
ATOM 260 HE1 TRP A 11 3.090 4.645 4.826 1.00 0.72 H
ATOM 261 HE3 TRP A 11 6.038 0.305 3.842 1.00 0.37 H
ATOM 262 HZ2 TRP A 11 5.459 4.560 6.366 1.00 0.83 H
ATOM 263 HZ3 TRP A 11 7.708 1.043 5.492 1.00 0.61 H
ATOM 264 HH2 TRP A 11 7.426 3.127 6.722 1.00 0.80 H
ATOM 265 N ARG A 12 5.154 -1.518 1.810 1.00 0.16 N
ATOM 266 CA ARG A 12 6.140 -2.472 2.302 1.00 0.22 C
ATOM 267 C ARG A 12 7.220 -2.774 1.274 1.00 0.21 C
ATOM 268 O ARG A 12 8.365 -3.022 1.633 1.00 0.27 O
ATOM 269 CB ARG A 12 5.461 -3.767 2.740 1.00 0.33 C
ATOM 270 CG ARG A 12 4.873 -3.701 4.138 1.00 1.49 C
ATOM 271 CD ARG A 12 5.952 -3.418 5.172 1.00 1.87 C
ATOM 272 NE ARG A 12 5.440 -3.478 6.536 1.00 2.29 N
ATOM 273 CZ ARG A 12 5.826 -2.650 7.508 1.00 2.74 C
ATOM 274 NH1 ARG A 12 6.721 -1.696 7.269 1.00 3.00 N
ATOM 275 NH2 ARG A 12 5.339 -2.794 8.733 1.00 3.27 N
ATOM 276 H ARG A 12 4.228 -1.812 1.668 1.00 0.19 H
ATOM 277 HA ARG A 12 6.612 -2.029 3.163 1.00 0.27 H
ATOM 278 HB2 ARG A 12 4.664 -3.991 2.049 1.00 0.95 H
ATOM 279 HB3 ARG A 12 6.186 -4.566 2.713 1.00 0.86 H
ATOM 280 HG2 ARG A 12 4.140 -2.910 4.171 1.00 2.00 H
ATOM 281 HG3 ARG A 12 4.403 -4.646 4.369 1.00 2.03 H
ATOM 282 HD2 ARG A 12 6.740 -4.148 5.061 1.00 2.25 H
ATOM 283 HD3 ARG A 12 6.353 -2.431 4.994 1.00 1.95 H
ATOM 284 HE ARG A 12 4.780 -4.190 6.743 1.00 2.50 H
ATOM 285 HH11 ARG A 12 7.126 -1.589 6.352 1.00 2.91 H
ATOM 286 HH12 ARG A 12 6.993 -1.066 8.006 1.00 3.51 H
ATOM 287 HH21 ARG A 12 4.686 -3.528 8.939 1.00 3.44 H
ATOM 288 HH22 ARG A 12 5.625 -2.165 9.466 1.00 3.66 H
ATOM 289 N ARG A 13 6.858 -2.769 0.008 1.00 0.18 N
ATOM 290 CA ARG A 13 7.812 -3.093 -1.040 1.00 0.22 C
ATOM 291 C ARG A 13 8.826 -1.976 -1.283 1.00 0.21 C
ATOM 292 O ARG A 13 10.034 -2.190 -1.144 1.00 0.25 O
ATOM 293 CB ARG A 13 7.081 -3.447 -2.330 1.00 0.28 C
ATOM 294 CG ARG A 13 6.472 -4.837 -2.306 1.00 0.93 C
ATOM 295 CD ARG A 13 5.562 -5.066 -3.498 1.00 1.38 C
ATOM 296 NE ARG A 13 6.250 -4.899 -4.778 1.00 1.86 N
ATOM 297 CZ ARG A 13 5.729 -4.252 -5.815 1.00 2.76 C
ATOM 298 NH1 ARG A 13 4.544 -3.662 -5.701 1.00 3.47 N
ATOM 299 NH2 ARG A 13 6.395 -4.192 -6.961 1.00 3.35 N
ATOM 300 H ARG A 13 5.933 -2.547 -0.232 1.00 0.17 H
ATOM 301 HA ARG A 13 8.351 -3.966 -0.711 1.00 0.28 H
ATOM 302 HB2 ARG A 13 6.288 -2.733 -2.490 1.00 0.66 H
ATOM 303 HB3 ARG A 13 7.778 -3.396 -3.153 1.00 0.82 H
ATOM 304 HG2 ARG A 13 7.264 -5.569 -2.324 1.00 1.57 H
ATOM 305 HG3 ARG A 13 5.895 -4.951 -1.398 1.00 1.64 H
ATOM 306 HD2 ARG A 13 5.172 -6.068 -3.442 1.00 2.01 H
ATOM 307 HD3 ARG A 13 4.746 -4.359 -3.444 1.00 1.74 H
ATOM 308 HE ARG A 13 7.144 -5.316 -4.875 1.00 1.99 H
ATOM 309 HH11 ARG A 13 4.046 -3.704 -4.834 1.00 3.38 H
ATOM 310 HH12 ARG A 13 4.143 -3.162 -6.481 1.00 4.31 H
ATOM 311 HH21 ARG A 13 7.292 -4.636 -7.045 1.00 3.32 H
ATOM 312 HH22 ARG A 13 6.008 -3.708 -7.748 1.00 4.06 H
ATOM 313 N TRP A 14 8.347 -0.793 -1.660 1.00 0.20 N
ATOM 314 CA TRP A 14 9.245 0.284 -2.065 1.00 0.24 C
ATOM 315 C TRP A 14 9.961 0.931 -0.878 1.00 0.21 C
ATOM 316 O TRP A 14 11.187 0.848 -0.767 1.00 0.27 O
ATOM 317 CB TRP A 14 8.482 1.347 -2.859 1.00 0.31 C
ATOM 318 CG TRP A 14 9.380 2.341 -3.529 1.00 0.42 C
ATOM 319 CD1 TRP A 14 9.966 2.206 -4.749 1.00 0.54 C
ATOM 320 CD2 TRP A 14 9.789 3.617 -3.023 1.00 0.48 C
ATOM 321 NE1 TRP A 14 10.712 3.316 -5.041 1.00 0.64 N
ATOM 322 CE2 TRP A 14 10.622 4.199 -3.996 1.00 0.60 C
ATOM 323 CE3 TRP A 14 9.533 4.324 -1.844 1.00 0.49 C
ATOM 324 CZ2 TRP A 14 11.200 5.455 -3.827 1.00 0.70 C
ATOM 325 CZ3 TRP A 14 10.107 5.572 -1.677 1.00 0.62 C
ATOM 326 CH2 TRP A 14 10.933 6.124 -2.665 1.00 0.71 C
ATOM 327 H TRP A 14 7.379 -0.640 -1.657 1.00 0.19 H
ATOM 328 HA TRP A 14 9.992 -0.147 -2.709 1.00 0.30 H
ATOM 329 HB2 TRP A 14 7.895 0.861 -3.624 1.00 0.37 H
ATOM 330 HB3 TRP A 14 7.825 1.883 -2.196 1.00 0.26 H
ATOM 331 HD1 TRP A 14 9.847 1.342 -5.385 1.00 0.59 H
ATOM 332 HE1 TRP A 14 11.230 3.458 -5.871 1.00 0.74 H
ATOM 333 HE3 TRP A 14 8.899 3.912 -1.071 1.00 0.44 H
ATOM 334 HZ2 TRP A 14 11.839 5.895 -4.577 1.00 0.80 H
ATOM 335 HZ3 TRP A 14 9.923 6.130 -0.773 1.00 0.67 H
ATOM 336 HH2 TRP A 14 11.361 7.100 -2.492 1.00 0.80 H
ATOM 337 N ARG A 15 9.200 1.578 0.004 1.00 0.20 N
ATOM 338 CA ARG A 15 9.792 2.326 1.108 1.00 0.22 C
ATOM 339 C ARG A 15 10.281 1.404 2.224 1.00 0.26 C
ATOM 340 O ARG A 15 11.325 1.669 2.819 1.00 0.44 O
ATOM 341 CB ARG A 15 8.851 3.414 1.649 1.00 0.41 C
ATOM 342 CG ARG A 15 7.394 3.009 1.775 1.00 0.57 C
ATOM 343 CD ARG A 15 6.581 3.371 0.536 1.00 0.40 C
ATOM 344 NE ARG A 15 6.605 4.810 0.242 1.00 0.46 N
ATOM 345 CZ ARG A 15 6.015 5.743 0.995 1.00 0.82 C
ATOM 346 NH1 ARG A 15 5.336 5.402 2.084 1.00 1.35 N
ATOM 347 NH2 ARG A 15 6.091 7.016 0.644 1.00 0.88 N
ATOM 348 H ARG A 15 8.231 1.529 -0.077 1.00 0.25 H
ATOM 349 HA ARG A 15 10.663 2.821 0.701 1.00 0.28 H
ATOM 350 HB2 ARG A 15 9.193 3.703 2.626 1.00 0.94 H
ATOM 351 HB3 ARG A 15 8.907 4.272 0.994 1.00 1.01 H
ATOM 352 HG2 ARG A 15 7.342 1.943 1.925 1.00 1.12 H
ATOM 353 HG3 ARG A 15 6.966 3.513 2.630 1.00 1.13 H
ATOM 354 HD2 ARG A 15 6.980 2.833 -0.310 1.00 0.45 H
ATOM 355 HD3 ARG A 15 5.558 3.063 0.701 1.00 0.45 H
ATOM 356 HE ARG A 15 7.083 5.096 -0.574 1.00 0.63 H
ATOM 357 HH11 ARG A 15 5.261 4.442 2.355 1.00 1.40 H
ATOM 358 HH12 ARG A 15 4.896 6.116 2.651 1.00 1.76 H
ATOM 359 HH21 ARG A 15 6.592 7.283 -0.192 1.00 0.77 H
ATOM 360 HH22 ARG A 15 5.662 7.730 1.216 1.00 1.22 H
ATOM 361 N ARG A 16 9.523 0.330 2.487 1.00 0.40 N
ATOM 362 CA ARG A 16 9.901 -0.696 3.469 1.00 0.55 C
ATOM 363 C ARG A 16 9.772 -0.192 4.909 1.00 1.46 C
ATOM 364 O ARG A 16 10.568 0.677 5.321 1.00 2.20 O
ATOM 365 CB ARG A 16 11.322 -1.197 3.209 1.00 1.14 C
ATOM 366 CG ARG A 16 11.511 -1.807 1.832 1.00 2.07 C
ATOM 367 CD ARG A 16 12.958 -2.191 1.590 1.00 2.76 C
ATOM 368 NE ARG A 16 13.182 -2.629 0.217 1.00 3.02 N
ATOM 369 CZ ARG A 16 14.374 -2.975 -0.265 1.00 3.81 C
ATOM 370 NH1 ARG A 16 15.444 -2.939 0.520 1.00 4.43 N
ATOM 371 NH2 ARG A 16 14.499 -3.358 -1.529 1.00 4.37 N
ATOM 372 OXT ARG A 16 8.888 -0.699 5.635 1.00 2.24 O
ATOM 373 H ARG A 16 8.683 0.220 2.001 1.00 0.55 H
ATOM 374 HA ARG A 16 9.219 -1.521 3.341 1.00 1.33 H
ATOM 375 HB2 ARG A 16 12.001 -0.364 3.305 1.00 1.66 H
ATOM 376 HB3 ARG A 16 11.573 -1.941 3.946 1.00 1.64 H
ATOM 377 HG2 ARG A 16 10.894 -2.691 1.751 1.00 2.52 H
ATOM 378 HG3 ARG A 16 11.210 -1.087 1.087 1.00 2.56 H
ATOM 379 HD2 ARG A 16 13.583 -1.331 1.789 1.00 3.30 H
ATOM 380 HD3 ARG A 16 13.222 -2.993 2.264 1.00 3.15 H
ATOM 381 HE ARG A 16 12.398 -2.658 -0.378 1.00 2.98 H
ATOM 382 HH11 ARG A 16 15.357 -2.651 1.477 1.00 4.37 H
ATOM 383 HH12 ARG A 16 16.354 -3.190 0.156 1.00 5.17 H
ATOM 384 HH21 ARG A 16 13.698 -3.391 -2.129 1.00 4.32 H
ATOM 385 HH22 ARG A 16 15.405 -3.623 -1.894 1.00 5.07 H
TER 386 ARG A 16
ENDMDL
MODEL 3
ATOM 1 N ARG A 1 -12.273 0.640 2.219 1.00 0.94 N
ATOM 2 CA ARG A 1 -11.087 1.231 1.606 1.00 0.72 C
ATOM 3 C ARG A 1 -10.349 0.203 0.755 1.00 0.60 C
ATOM 4 O ARG A 1 -9.499 -0.536 1.251 1.00 0.64 O
ATOM 5 CB ARG A 1 -10.150 1.786 2.681 1.00 1.24 C
ATOM 6 CG ARG A 1 -10.798 2.805 3.606 1.00 1.81 C
ATOM 7 CD ARG A 1 -9.846 3.216 4.715 1.00 2.42 C
ATOM 8 NE ARG A 1 -9.370 2.057 5.475 1.00 3.29 N
ATOM 9 CZ ARG A 1 -8.224 2.027 6.161 1.00 4.10 C
ATOM 10 NH1 ARG A 1 -7.447 3.104 6.214 1.00 4.22 N
ATOM 11 NH2 ARG A 1 -7.853 0.917 6.787 1.00 5.01 N
ATOM 12 H ARG A 1 -12.228 0.328 3.151 1.00 1.36 H
ATOM 13 HA ARG A 1 -11.411 2.040 0.969 1.00 0.90 H
ATOM 14 HB2 ARG A 1 -9.787 0.968 3.287 1.00 1.52 H
ATOM 15 HB3 ARG A 1 -9.311 2.259 2.194 1.00 1.64 H
ATOM 16 HG2 ARG A 1 -11.070 3.680 3.033 1.00 2.17 H
ATOM 17 HG3 ARG A 1 -11.683 2.368 4.045 1.00 2.13 H
ATOM 18 HD2 ARG A 1 -8.997 3.719 4.274 1.00 2.35 H
ATOM 19 HD3 ARG A 1 -10.358 3.891 5.383 1.00 2.78 H
ATOM 20 HE ARG A 1 -9.940 1.250 5.462 1.00 3.48 H
ATOM 21 HH11 ARG A 1 -7.715 3.949 5.733 1.00 3.76 H
ATOM 22 HH12 ARG A 1 -6.588 3.087 6.743 1.00 4.94 H
ATOM 23 HH21 ARG A 1 -8.431 0.092 6.747 1.00 5.16 H
ATOM 24 HH22 ARG A 1 -6.991 0.891 7.299 1.00 5.67 H
ATOM 25 N ARG A 2 -10.698 0.146 -0.523 1.00 0.54 N
ATOM 26 CA ARG A 2 -10.093 -0.812 -1.445 1.00 0.51 C
ATOM 27 C ARG A 2 -8.661 -0.437 -1.805 1.00 0.39 C
ATOM 28 O ARG A 2 -7.817 -1.309 -2.023 1.00 0.41 O
ATOM 29 CB ARG A 2 -10.951 -0.979 -2.715 1.00 0.59 C
ATOM 30 CG ARG A 2 -11.751 0.257 -3.128 1.00 1.27 C
ATOM 31 CD ARG A 2 -10.867 1.383 -3.647 1.00 2.13 C
ATOM 32 NE ARG A 2 -11.625 2.616 -3.868 1.00 2.80 N
ATOM 33 CZ ARG A 2 -11.108 3.740 -4.370 1.00 3.73 C
ATOM 34 NH1 ARG A 2 -9.862 3.763 -4.827 1.00 4.17 N
ATOM 35 NH2 ARG A 2 -11.863 4.826 -4.458 1.00 4.44 N
ATOM 36 H ARG A 2 -11.394 0.754 -0.854 1.00 0.59 H
ATOM 37 HA ARG A 2 -10.063 -1.757 -0.934 1.00 0.60 H
ATOM 38 HB2 ARG A 2 -10.302 -1.241 -3.535 1.00 0.87 H
ATOM 39 HB3 ARG A 2 -11.647 -1.790 -2.555 1.00 1.05 H
ATOM 40 HG2 ARG A 2 -12.443 -0.025 -3.905 1.00 1.80 H
ATOM 41 HG3 ARG A 2 -12.303 0.613 -2.270 1.00 1.44 H
ATOM 42 HD2 ARG A 2 -10.092 1.577 -2.919 1.00 2.58 H
ATOM 43 HD3 ARG A 2 -10.417 1.073 -4.578 1.00 2.36 H
ATOM 44 HE ARG A 2 -12.573 2.613 -3.604 1.00 2.78 H
ATOM 45 HH11 ARG A 2 -9.302 2.936 -4.806 1.00 3.85 H
ATOM 46 HH12 ARG A 2 -9.478 4.617 -5.213 1.00 4.97 H
ATOM 47 HH21 ARG A 2 -12.824 4.794 -4.156 1.00 4.37 H
ATOM 48 HH22 ARG A 2 -11.480 5.690 -4.809 1.00 5.17 H
ATOM 49 N TRP A 3 -8.382 0.856 -1.843 1.00 0.34 N
ATOM 50 CA TRP A 3 -7.075 1.335 -2.278 1.00 0.29 C
ATOM 51 C TRP A 3 -5.990 1.064 -1.239 1.00 0.22 C
ATOM 52 O TRP A 3 -4.831 0.849 -1.588 1.00 0.20 O
ATOM 53 CB TRP A 3 -7.127 2.825 -2.645 1.00 0.42 C
ATOM 54 CG TRP A 3 -7.578 3.729 -1.537 1.00 0.53 C
ATOM 55 CD1 TRP A 3 -8.865 3.981 -1.155 1.00 0.60 C
ATOM 56 CD2 TRP A 3 -6.742 4.516 -0.684 1.00 0.65 C
ATOM 57 NE1 TRP A 3 -8.878 4.867 -0.106 1.00 0.75 N
ATOM 58 CE2 TRP A 3 -7.586 5.211 0.201 1.00 0.79 C
ATOM 59 CE3 TRP A 3 -5.359 4.695 -0.577 1.00 0.67 C
ATOM 60 CZ2 TRP A 3 -7.092 6.073 1.178 1.00 0.95 C
ATOM 61 CZ3 TRP A 3 -4.872 5.552 0.392 1.00 0.83 C
ATOM 62 CH2 TRP A 3 -5.736 6.230 1.259 1.00 0.96 C
ATOM 63 H TRP A 3 -9.069 1.502 -1.576 1.00 0.39 H
ATOM 64 HA TRP A 3 -6.818 0.775 -3.169 1.00 0.31 H
ATOM 65 HB2 TRP A 3 -6.140 3.147 -2.943 1.00 0.44 H
ATOM 66 HB3 TRP A 3 -7.806 2.954 -3.474 1.00 0.48 H
ATOM 67 HD1 TRP A 3 -9.732 3.537 -1.617 1.00 0.57 H
ATOM 68 HE1 TRP A 3 -9.691 5.208 0.350 1.00 0.84 H
ATOM 69 HE3 TRP A 3 -4.678 4.184 -1.237 1.00 0.59 H
ATOM 70 HZ2 TRP A 3 -7.745 6.605 1.855 1.00 1.06 H
ATOM 71 HZ3 TRP A 3 -3.808 5.704 0.490 1.00 0.86 H
ATOM 72 HH2 TRP A 3 -5.312 6.890 2.000 1.00 1.10 H
ATOM 73 N ARG A 4 -6.367 1.064 0.033 1.00 0.25 N
ATOM 74 CA ARG A 4 -5.415 0.834 1.113 1.00 0.26 C
ATOM 75 C ARG A 4 -4.767 -0.543 1.005 1.00 0.20 C
ATOM 76 O ARG A 4 -3.641 -0.741 1.465 1.00 0.22 O
ATOM 77 CB ARG A 4 -6.074 1.029 2.471 1.00 0.39 C
ATOM 78 CG ARG A 4 -6.288 2.490 2.836 1.00 0.93 C
ATOM 79 CD ARG A 4 -4.970 3.219 3.077 1.00 0.78 C
ATOM 80 NE ARG A 4 -4.252 2.690 4.236 1.00 0.93 N
ATOM 81 CZ ARG A 4 -3.323 3.374 4.905 1.00 1.11 C
ATOM 82 NH1 ARG A 4 -3.027 4.617 4.544 1.00 1.09 N
ATOM 83 NH2 ARG A 4 -2.706 2.816 5.946 1.00 1.91 N
ATOM 84 H ARG A 4 -7.310 1.207 0.251 1.00 0.33 H
ATOM 85 HA ARG A 4 -4.637 1.571 1.012 1.00 0.29 H
ATOM 86 HB2 ARG A 4 -7.033 0.539 2.467 1.00 0.67 H
ATOM 87 HB3 ARG A 4 -5.449 0.583 3.227 1.00 0.82 H
ATOM 88 HG2 ARG A 4 -6.809 2.979 2.026 1.00 1.41 H
ATOM 89 HG3 ARG A 4 -6.887 2.545 3.734 1.00 1.45 H
ATOM 90 HD2 ARG A 4 -4.343 3.112 2.201 1.00 1.29 H
ATOM 91 HD3 ARG A 4 -5.176 4.269 3.240 1.00 1.06 H
ATOM 92 HE ARG A 4 -4.476 1.780 4.530 1.00 1.46 H
ATOM 93 HH11 ARG A 4 -3.495 5.045 3.771 1.00 1.34 H
ATOM 94 HH12 ARG A 4 -2.339 5.145 5.063 1.00 1.35 H
ATOM 95 HH21 ARG A 4 -2.946 1.884 6.233 1.00 2.46 H
ATOM 96 HH22 ARG A 4 -1.990 3.324 6.454 1.00 2.10 H
ATOM 97 N ARG A 5 -5.482 -1.495 0.421 1.00 0.22 N
ATOM 98 CA ARG A 5 -4.917 -2.820 0.176 1.00 0.29 C
ATOM 99 C ARG A 5 -3.661 -2.714 -0.689 1.00 0.25 C
ATOM 100 O ARG A 5 -2.593 -3.206 -0.317 1.00 0.32 O
ATOM 101 CB ARG A 5 -5.939 -3.735 -0.499 1.00 0.37 C