Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
622501 | 5vr1 RC | 30291 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 H ASP 1 1.806 0.000 0.856
2 HA ASP 1 HA ASP 1 1.392 0.010 -2.063
3 HB2 ASP 1 HB2 ASP 1 3.651 1.147 -2.161
4 HB3 ASP 1 HB3 ASP 1 2.347 2.113 -1.475
5 H CYS 2 H CYS 2 1.325 -2.414 -1.305
6 HA CYS 2 HA CYS 2 3.776 -3.584 -2.212
7 HB2 CYS 2 HB2 CYS 2 3.791 -5.102 -0.055
8 HB3 CYS 2 HB3 CYS 2 4.639 -3.559 -0.075
9 H CYS 3 H CYS 3 3.514 -6.160 -1.659
10 HA CYS 3 HA CYS 3 0.740 -6.873 -2.339
11 HB2 CYS 3 HB2 CYS 3 3.226 -7.395 -3.837
12 HB3 CYS 3 HB3 CYS 3 2.174 -8.793 -3.638
13 HA HYP 4 HA HYP 4 2.207 -8.007 1.437
14 HB2 HYP 4 HB2 HYP 4 0.416 -7.707 2.887
15 HB3 HYP 4 HB3 HYP 4 -0.618 -8.840 2.006
16 HG HYP 4 HG HYP 4 -1.486 -6.825 1.191
17 HD22 HYP 4 HD2 HYP 4 -0.846 -7.461 -0.950
18 HD23 HYP 4 HD3 HYP 4 0.469 -6.298 -0.770
19 HD1 HYP 4 HOD HYP 4 0.917 -5.547 0.932
20 H CYS 5 H CYS 5 3.490 -9.718 1.661
21 HA CYS 5 HA CYS 5 2.386 -12.421 1.566
22 HB2 CYS 5 HB2 CYS 5 5.035 -11.215 1.184
23 HB3 CYS 5 HB3 CYS 5 5.062 -12.707 2.119
24 HA HYP 6 HA HYP 6 1.397 -13.424 4.989
25 HB2 HYP 6 HB2 HYP 6 1.588 -15.720 5.296
26 HB3 HYP 6 HB3 HYP 6 3.351 -15.659 5.418
27 HG HYP 6 HG HYP 6 3.154 -16.395 3.206
28 HD22 HYP 6 HD2 HYP 6 4.240 -14.464 2.508
29 HD23 HYP 6 HD3 HYP 6 2.649 -13.905 1.987
30 HD1 HYP 6 HOD HYP 6 1.045 -14.787 2.542
31 H ALA 7 H ALA 7 4.513 -12.426 5.472
32 HA ALA 7 HA ALA 7 4.636 -12.877 8.332
33 HB1 ALA 7 HB1 ALA 7 6.796 -12.062 8.257
34 HB2 ALA 7 HB2 ALA 7 6.615 -12.771 6.653
35 HB3 ALA 7 HB3 ALA 7 6.470 -11.027 6.867
36 H GLY 8 H GLY 8 4.151 -10.145 6.119
37 HA2 GLY 8 HA2 GLY 8 2.788 -8.283 6.526
38 HA3 GLY 8 HA3 GLY 8 2.706 -8.740 8.221
39 H ALA 9 H ALA 9 5.617 -9.006 8.459
40 HA ALA 9 HA ALA 9 6.198 -6.319 9.192
41 HB1 ALA 9 HB1 ALA 9 8.552 -7.347 9.541
42 HB2 ALA 9 HB2 ALA 9 7.218 -7.874 10.568
43 HB3 ALA 9 HB3 ALA 9 7.741 -8.880 9.218
44 H VAL 10 H VAL 10 8.374 -8.319 7.240
45 HA VAL 10 HA VAL 10 8.839 -5.983 5.512
46 HB VAL 10 HB VAL 10 10.800 -6.892 6.762
47 HG11 VAL 10 HG11 VAL 10 10.773 -9.221 4.879
48 HG12 VAL 10 HG12 VAL 10 11.678 -9.008 6.379
49 HG13 VAL 10 HG13 VAL 10 9.941 -9.308 6.431
50 HG21 VAL 10 HG21 VAL 10 11.731 -7.450 4.101
51 HG22 VAL 10 HG22 VAL 10 10.604 -6.094 4.084
52 HG23 VAL 10 HG23 VAL 10 12.031 -6.041 5.118
53 H ARG 11 H ARG 11 7.299 -8.945 5.558
54 HA ARG 11 HA ARG 11 7.836 -9.888 2.937
55 HB2 ARG 11 HB2 ARG 11 5.846 -10.475 5.062
56 HB3 ARG 11 HB3 ARG 11 5.418 -10.943 3.422
57 HG2 ARG 11 HG2 ARG 11 7.885 -11.796 4.924
58 HG3 ARG 11 HG3 ARG 11 6.458 -12.784 4.607
59 HD2 ARG 11 HD2 ARG 11 7.374 -11.701 2.140
60 HD3 ARG 11 HD3 ARG 11 8.751 -12.414 2.980
61 HE ARG 11 HE ARG 11 6.402 -14.085 2.900
62 HH11 ARG 11 HH11 ARG 11 9.353 -13.168 1.297
63 HH12 ARG 11 HH12 ARG 11 9.483 -14.649 0.408
64 HH21 ARG 11 HH21 ARG 11 6.562 -16.039 1.735
65 HH22 ARG 11 HH22 ARG 11 7.895 -16.281 0.657
66 H CYS 12 H CYS 12 6.159 -7.196 4.028
67 HA CYS 12 HA CYS 12 4.130 -7.126 1.991
68 HB2 CYS 12 HB2 CYS 12 4.128 -5.986 4.334
69 HB3 CYS 12 HB3 CYS 12 5.048 -4.717 3.531
70 H ARG 13 H ARG 13 5.572 -7.475 0.161
71 HA ARG 13 HA ARG 13 6.636 -4.927 -0.826
72 HB2 ARG 13 HB2 ARG 13 8.070 -7.585 -0.897
73 HB3 ARG 13 HB3 ARG 13 8.550 -6.190 -1.853
74 HG2 ARG 13 HG2 ARG 13 9.405 -5.082 -0.068
75 HG3 ARG 13 HG3 ARG 13 8.253 -5.793 1.065
76 HD2 ARG 13 HD2 ARG 13 10.452 -6.645 1.543
77 HD3 ARG 13 HD3 ARG 13 9.464 -7.944 0.876
78 HE ARG 13 HE ARG 13 10.752 -6.909 -1.288
79 HH11 ARG 13 HH11 ARG 13 11.773 -8.174 1.790
80 HH12 ARG 13 HH12 ARG 13 13.290 -8.760 1.193
81 HH21 ARG 13 HH21 ARG 13 12.746 -7.677 -2.086
82 HH22 ARG 13 HH22 ARG 13 13.843 -8.476 -1.012
83 H PHE 14 H PHE 14 6.570 -4.667 -3.079
84 HA PHE 14 HA PHE 14 4.397 -5.893 -4.379
85 HB2 PHE 14 HB2 PHE 14 5.452 -3.607 -4.854
86 HB3 PHE 14 HB3 PHE 14 6.651 -4.482 -5.800
87 HD1 PHE 14 HD1 PHE 14 6.052 -5.555 -7.886
88 HD2 PHE 14 HD2 PHE 14 3.171 -3.403 -5.608
89 HE1 PHE 14 HE1 PHE 14 4.542 -5.525 -9.829
90 HE2 PHE 14 HE2 PHE 14 1.657 -3.372 -7.547
91 HZ PHE 14 HZ PHE 14 2.341 -4.434 -9.661
92 H ALA 15 H ALA 15 7.782 -6.672 -4.240
93 HA ALA 15 HA ALA 15 8.030 -8.271 -6.520
94 HB1 ALA 15 HB1 ALA 15 9.754 -7.465 -4.653
95 HB2 ALA 15 HB2 ALA 15 9.484 -9.112 -4.083
96 HB3 ALA 15 HB3 ALA 15 10.076 -8.832 -5.721
97 H CYS 16 H CYS 16 6.713 -8.968 -3.341
98 HA CYS 16 HA CYS 16 6.635 -11.738 -3.405
99 HB2 CYS 16 HB2 CYS 16 6.030 -10.647 -1.384
100 HB3 CYS 16 HB3 CYS 16 4.760 -9.721 -2.177
101 H CYS 17 H CYS 17 4.531 -9.395 -4.958
102 HA CYS 17 HA CYS 17 2.456 -11.124 -5.715
103 HB2 CYS 17 HB2 CYS 17 3.294 -8.419 -6.311
104 HB3 CYS 17 HB3 CYS 17 2.701 -9.222 -7.761
105 HN1 NH2 18 H1 NH2 18 2.560 -12.869 -6.951
106 HN2 NH2 18 H2 NH2 18 3.579 -13.151 -8.292
Start of MODEL 2
1 H1 ASP 1 H ASP 1 3.376 1.818 -1.075
2 HA ASP 1 HA ASP 1 1.399 -0.118 -0.213
3 HB2 ASP 1 HB2 ASP 1 2.297 0.855 -2.925
4 HB3 ASP 1 HB3 ASP 1 1.135 -0.454 -2.725
5 H CYS 2 H CYS 2 1.396 -2.329 -1.054
6 HA CYS 2 HA CYS 2 3.832 -3.487 -2.019
7 HB2 CYS 2 HB2 CYS 2 3.833 -5.071 0.102
8 HB3 CYS 2 HB3 CYS 2 4.721 -3.551 0.101
9 H CYS 3 H CYS 3 3.556 -6.077 -1.537
10 HA CYS 3 HA CYS 3 0.773 -6.750 -2.220
11 HB2 CYS 3 HB2 CYS 3 3.287 -7.379 -3.687
12 HB3 CYS 3 HB3 CYS 3 2.047 -8.627 -3.629
13 HA HYP 4 HA HYP 4 2.277 -8.000 1.512
14 HB2 HYP 4 HB2 HYP 4 0.512 -7.711 2.995
15 HB3 HYP 4 HB3 HYP 4 -0.553 -8.802 2.099
16 HG HYP 4 HG HYP 4 -1.399 -6.753 1.351
17 HD22 HYP 4 HD2 HYP 4 -0.801 -7.341 -0.815
18 HD23 HYP 4 HD3 HYP 4 0.536 -6.205 -0.624
19 HD1 HYP 4 HOD HYP 4 1.020 -5.507 1.091
20 H CYS 5 H CYS 5 3.499 -9.711 1.864
21 HA CYS 5 HA CYS 5 2.347 -12.401 1.670
22 HB2 CYS 5 HB2 CYS 5 5.091 -11.279 1.408
23 HB3 CYS 5 HB3 CYS 5 4.944 -12.910 2.055
24 HA HYP 6 HA HYP 6 1.364 -13.318 5.126
25 HB2 HYP 6 HB2 HYP 6 1.377 -15.625 5.403
26 HB3 HYP 6 HB3 HYP 6 3.143 -15.710 5.461
27 HG HYP 6 HG HYP 6 2.805 -16.400 3.251
28 HD22 HYP 6 HD2 HYP 6 4.020 -14.556 2.531
29 HD23 HYP 6 HD3 HYP 6 2.463 -13.862 2.075
30 HD1 HYP 6 HOD HYP 6 0.813 -14.617 2.681
31 H ALA 7 H ALA 7 4.568 -12.585 5.503
32 HA ALA 7 HA ALA 7 4.812 -13.114 8.330
33 HB1 ALA 7 HB1 ALA 7 6.987 -12.354 8.164
34 HB2 ALA 7 HB2 ALA 7 6.694 -12.988 6.544
35 HB3 ALA 7 HB3 ALA 7 6.612 -11.251 6.839
36 H GLY 8 H GLY 8 4.286 -10.274 6.266
37 HA2 GLY 8 HA2 GLY 8 3.010 -8.392 6.825
38 HA3 GLY 8 HA3 GLY 8 2.993 -8.927 8.498
39 H ALA 9 H ALA 9 5.908 -9.291 8.570
40 HA ALA 9 HA ALA 9 6.611 -6.679 9.430
41 HB1 ALA 9 HB1 ALA 9 8.989 -7.895 9.381
42 HB2 ALA 9 HB2 ALA 9 7.792 -8.184 10.644
43 HB3 ALA 9 HB3 ALA 9 7.946 -9.315 9.300
44 H VAL 10 H VAL 10 8.599 -8.574 7.194
45 HA VAL 10 HA VAL 10 8.943 -6.139 5.572
46 HB VAL 10 HB VAL 10 10.987 -7.053 6.709
47 HG11 VAL 10 HG11 VAL 10 10.625 -9.314 4.745
48 HG12 VAL 10 HG12 VAL 10 12.027 -9.059 5.786
49 HG13 VAL 10 HG13 VAL 10 10.456 -9.429 6.497
50 HG21 VAL 10 HG21 VAL 10 10.948 -5.676 4.575
51 HG22 VAL 10 HG22 VAL 10 12.412 -6.608 4.885
52 HG23 VAL 10 HG23 VAL 10 11.228 -7.191 3.716
53 H ARG 11 H ARG 11 7.374 -9.031 5.565
54 HA ARG 11 HA ARG 11 7.865 -9.960 2.924
55 HB2 ARG 11 HB2 ARG 11 5.936 -10.557 5.090
56 HB3 ARG 11 HB3 ARG 11 5.412 -10.947 3.457
57 HG2 ARG 11 HG2 ARG 11 7.924 -11.936 4.791
58 HG3 ARG 11 HG3 ARG 11 6.445 -12.864 4.532
59 HD2 ARG 11 HD2 ARG 11 7.149 -11.806 2.031
60 HD3 ARG 11 HD3 ARG 11 8.647 -12.401 2.745
61 HE ARG 11 HE ARG 11 6.525 -13.970 1.711
62 HH11 ARG 11 HH11 ARG 11 8.896 -13.875 4.258
63 HH12 ARG 11 HH12 ARG 11 8.973 -15.598 4.428
64 HH21 ARG 11 HH21 ARG 11 6.618 -16.239 1.925
65 HH22 ARG 11 HH22 ARG 11 7.678 -16.941 3.099
66 H CYS 12 H CYS 12 6.291 -7.238 4.066
67 HA CYS 12 HA CYS 12 4.215 -7.098 2.076
68 HB2 CYS 12 HB2 CYS 12 4.338 -5.972 4.444
69 HB3 CYS 12 HB3 CYS 12 5.205 -4.705 3.582
70 H ARG 13 H ARG 13 5.568 -7.447 0.196
71 HA ARG 13 HA ARG 13 6.711 -4.925 -0.770
72 HB2 ARG 13 HB2 ARG 13 8.023 -7.636 -1.046
73 HB3 ARG 13 HB3 ARG 13 8.571 -6.162 -1.834
74 HG2 ARG 13 HG2 ARG 13 9.455 -5.302 0.073
75 HG3 ARG 13 HG3 ARG 13 8.276 -6.104 1.113
76 HD2 ARG 13 HD2 ARG 13 10.436 -7.091 1.482
77 HD3 ARG 13 HD3 ARG 13 9.409 -8.260 0.653
78 HE ARG 13 HE ARG 13 10.739 -7.019 -1.364
79 HH11 ARG 13 HH11 ARG 13 11.725 -8.640 1.554
80 HH12 ARG 13 HH12 ARG 13 13.234 -9.184 0.897
81 HH21 ARG 13 HH21 ARG 13 12.721 -7.729 -2.241
82 HH22 ARG 13 HH22 ARG 13 13.800 -8.664 -1.261
83 H PHE 14 H PHE 14 6.522 -4.574 -2.985
84 HA PHE 14 HA PHE 14 4.293 -5.763 -4.243
85 HB2 PHE 14 HB2 PHE 14 4.926 -3.486 -4.766
86 HB3 PHE 14 HB3 PHE 14 6.493 -4.019 -5.365
87 HD1 PHE 14 HD1 PHE 14 2.848 -4.299 -5.997
88 HD2 PHE 14 HD2 PHE 14 6.778 -4.564 -7.608
89 HE1 PHE 14 HE1 PHE 14 1.902 -4.516 -8.258
90 HE2 PHE 14 HE2 PHE 14 5.839 -4.780 -9.872
91 HZ PHE 14 HZ PHE 14 3.399 -4.756 -10.199
92 H ALA 15 H ALA 15 7.676 -6.510 -4.250
93 HA ALA 15 HA ALA 15 7.909 -7.934 -6.639
94 HB1 ALA 15 HB1 ALA 15 9.745 -7.255 -5.017
95 HB2 ALA 15 HB2 ALA 15 9.328 -8.707 -4.106
96 HB3 ALA 15 HB3 ALA 15 9.895 -8.843 -5.771
97 H CYS 16 H CYS 16 6.500 -8.830 -3.571
98 HA CYS 16 HA CYS 16 6.447 -11.606 -3.835
99 HB2 CYS 16 HB2 CYS 16 5.261 -9.638 -2.129
100 HB3 CYS 16 HB3 CYS 16 4.021 -10.794 -2.602
101 H CYS 17 H CYS 17 4.302 -9.137 -5.140
102 HA CYS 17 HA CYS 17 2.229 -10.770 -6.043
103 HB2 CYS 17 HB2 CYS 17 3.191 -8.055 -6.576
104 HB3 CYS 17 HB3 CYS 17 2.384 -8.792 -7.956
105 HN1 NH2 18 H1 NH2 18 5.024 -9.557 -7.901
106 HN2 NH2 18 H2 NH2 18 5.068 -10.795 -9.076
Start of MODEL 3
1 H1 ASP 1 H ASP 1 2.932 1.797 0.063
2 HA ASP 1 HA ASP 1 1.157 -0.207 -0.706
3 HB2 ASP 1 HB2 ASP 1 3.250 1.136 -2.429
4 HB3 ASP 1 HB3 ASP 1 1.804 0.311 -3.003
5 H CYS 2 H CYS 2 1.362 -2.322 -1.014
6 HA CYS 2 HA CYS 2 3.765 -3.515 -2.016
7 HB2 CYS 2 HB2 CYS 2 3.807 -5.089 0.099
8 HB3 CYS 2 HB3 CYS 2 4.683 -3.562 0.098
9 H CYS 3 H CYS 3 3.466 -6.099 -1.522
10 HA CYS 3 HA CYS 3 0.661 -6.740 -2.147
11 HB2 CYS 3 HB2 CYS 3 2.146 -6.730 -4.185
12 HB3 CYS 3 HB3 CYS 3 3.046 -8.056 -3.456
13 HA HYP 4 HA HYP 4 2.203 -8.000 1.558
14 HB2 HYP 4 HB2 HYP 4 0.457 -7.703 3.063
15 HB3 HYP 4 HB3 HYP 4 -0.623 -8.791 2.181
16 HG HYP 4 HG HYP 4 -1.470 -6.739 1.441
17 HD22 HYP 4 HD2 HYP 4 -0.900 -7.332 -0.731
18 HD23 HYP 4 HD3 HYP 4 0.443 -6.201 -0.557
19 HD1 HYP 4 HOD HYP 4 0.951 -5.503 1.151
20 H CYS 5 H CYS 5 3.461 -9.750 1.652
21 HA CYS 5 HA CYS 5 2.297 -12.423 1.538
22 HB2 CYS 5 HB2 CYS 5 4.961 -11.262 1.112
23 HB3 CYS 5 HB3 CYS 5 4.978 -12.788 1.990
24 HA HYP 6 HA HYP 6 1.394 -13.494 4.965
25 HB2 HYP 6 HB2 HYP 6 1.538 -15.801 5.203
26 HB3 HYP 6 HB3 HYP 6 3.306 -15.786 5.268
27 HG HYP 6 HG HYP 6 3.017 -16.456 3.045
28 HD22 HYP 6 HD2 HYP 6 4.127 -14.533 2.362
29 HD23 HYP 6 HD3 HYP 6 2.534 -13.921 1.910
30 HD1 HYP 6 HOD HYP 6 0.927 -14.780 2.496
31 H ALA 7 H ALA 7 4.548 -12.585 5.369
32 HA ALA 7 HA ALA 7 4.762 -13.121 8.207
33 HB1 ALA 7 HB1 ALA 7 6.576 -11.252 6.745
34 HB2 ALA 7 HB2 ALA 7 6.934 -12.352 8.076
35 HB3 ALA 7 HB3 ALA 7 6.678 -12.988 6.451
36 H GLY 8 H GLY 8 4.246 -10.313 6.099
37 HA2 GLY 8 HA2 GLY 8 2.920 -8.449 6.618
38 HA3 GLY 8 HA3 GLY 8 2.915 -8.949 8.303
39 H ALA 9 H ALA 9 5.824 -9.257 8.404
40 HA ALA 9 HA ALA 9 6.478 -6.592 9.159
41 HB1 ALA 9 HB1 ALA 9 8.765 -7.568 9.551
42 HB2 ALA 9 HB2 ALA 9 7.445 -8.354 10.418
43 HB3 ALA 9 HB3 ALA 9 8.122 -9.106 8.974
44 H VAL 10 H VAL 10 8.562 -8.582 7.106
45 HA VAL 10 HA VAL 10 9.012 -6.227 5.408
46 HB VAL 10 HB VAL 10 10.709 -8.717 5.587
47 HG11 VAL 10 HG11 VAL 10 12.187 -6.476 4.758
48 HG12 VAL 10 HG12 VAL 10 11.727 -7.884 3.798
49 HG13 VAL 10 HG13 VAL 10 10.690 -6.457 3.826
50 HG21 VAL 10 HG21 VAL 10 12.222 -7.449 6.992
51 HG22 VAL 10 HG22 VAL 10 11.155 -6.047 6.920
52 HG23 VAL 10 HG23 VAL 10 10.626 -7.516 7.740
53 H ARG 11 H ARG 11 7.467 -9.225 5.439
54 HA ARG 11 HA ARG 11 7.811 -10.071 2.773
55 HB2 ARG 11 HB2 ARG 11 5.908 -10.654 4.974
56 HB3 ARG 11 HB3 ARG 11 5.370 -11.043 3.345
57 HG2 ARG 11 HG2 ARG 11 7.890 -12.044 4.654
58 HG3 ARG 11 HG3 ARG 11 6.401 -12.962 4.425
59 HD2 ARG 11 HD2 ARG 11 7.080 -11.920 1.907
60 HD3 ARG 11 HD3 ARG 11 8.578 -12.537 2.603
61 HE ARG 11 HE ARG 11 6.395 -14.074 1.624
62 HH11 ARG 11 HH11 ARG 11 8.880 -14.014 4.062
63 HH12 ARG 11 HH12 ARG 11 8.950 -15.738 4.218
64 HH21 ARG 11 HH21 ARG 11 6.478 -16.345 1.821
65 HH22 ARG 11 HH22 ARG 11 7.584 -17.063 2.943
66 H CYS 12 H CYS 12 6.212 -7.386 4.046
67 HA CYS 12 HA CYS 12 4.140 -7.183 2.065
68 HB2 CYS 12 HB2 CYS 12 4.204 -6.154 4.449
69 HB3 CYS 12 HB3 CYS 12 5.153 -4.874 3.700
70 H ARG 13 H ARG 13 5.654 -7.527 0.236
71 HA ARG 13 HA ARG 13 6.697 -4.940 -0.687
72 HB2 ARG 13 HB2 ARG 13 8.077 -7.609 -1.027
73 HB3 ARG 13 HB3 ARG 13 8.608 -6.089 -1.733
74 HG2 ARG 13 HG2 ARG 13 9.279 -5.226 0.311
75 HG3 ARG 13 HG3 ARG 13 8.278 -6.355 1.226
76 HD2 ARG 13 HD2 ARG 13 10.616 -6.964 1.418
77 HD3 ARG 13 HD3 ARG 13 9.737 -8.199 0.518
78 HE ARG 13 HE ARG 13 10.738 -6.544 -1.404
79 HH11 ARG 13 HH11 ARG 13 12.107 -8.355 1.236
80 HH12 ARG 13 HH12 ARG 13 13.629 -8.604 0.447
81 HH21 ARG 13 HH21 ARG 13 12.738 -6.866 -2.453
82 HH22 ARG 13 HH22 ARG 13 13.987 -7.755 -1.651
83 H PHE 14 H PHE 14 6.609 -4.594 -2.932
84 HA PHE 14 HA PHE 14 4.383 -5.711 -4.238
85 HB2 PHE 14 HB2 PHE 14 5.172 -3.473 -4.772
86 HB3 PHE 14 HB3 PHE 14 6.699 -4.122 -5.359
87 HD1 PHE 14 HD1 PHE 14 3.035 -4.283 -5.977
88 HD2 PHE 14 HD2 PHE 14 6.954 -4.603 -7.606
89 HE1 PHE 14 HE1 PHE 14 2.077 -4.474 -8.236
90 HE2 PHE 14 HE2 PHE 14 6.003 -4.794 -9.867
91 HZ PHE 14 HZ PHE 14 3.562 -4.728 -10.184
92 H ALA 15 H ALA 15 7.735 -6.605 -4.163
93 HA ALA 15 HA ALA 15 7.912 -8.115 -6.512
94 HB1 ALA 15 HB1 ALA 15 9.345 -8.333 -3.878
95 HB2 ALA 15 HB2 ALA 15 9.729 -9.359 -5.261
96 HB3 ALA 15 HB3 ALA 15 9.920 -7.610 -5.380
97 H CYS 16 H CYS 16 6.629 -8.906 -3.339
98 HA CYS 16 HA CYS 16 6.460 -11.660 -3.496
99 HB2 CYS 16 HB2 CYS 16 5.880 -10.591 -1.447
100 HB3 CYS 16 HB3 CYS 16 4.612 -9.646 -2.220
101 H CYS 17 H CYS 17 4.456 -9.221 -5.017
102 HA CYS 17 HA CYS 17 2.335 -10.890 -5.826
103 HB2 CYS 17 HB2 CYS 17 3.194 -8.171 -6.284
104 HB3 CYS 17 HB3 CYS 17 2.625 -8.895 -7.785
105 HN1 NH2 18 H1 NH2 18 1.935 -11.988 -7.734
106 HN2 NH2 18 H2 NH2 18 3.127 -12.433 -8.872
Start of MODEL 4
1 H1 ASP 1 H ASP 1 3.459 1.689 -0.221
2 HA ASP 1 HA ASP 1 1.442 -0.244 -0.788
3 HB2 ASP 1 HB2 ASP 1 3.478 0.863 -2.726
4 HB3 ASP 1 HB3 ASP 1 1.888 0.203 -3.099
5 H CYS 2 H CYS 2 1.606 -2.369 -1.139
6 HA CYS 2 HA CYS 2 4.016 -3.613 -2.059
7 HB2 CYS 2 HB2 CYS 2 3.964 -5.160 0.080
8 HB3 CYS 2 HB3 CYS 2 4.878 -3.655 0.076
9 H CYS 3 H CYS 3 3.662 -6.185 -1.543
10 HA CYS 3 HA CYS 3 0.865 -6.790 -2.236
11 HB2 CYS 3 HB2 CYS 3 2.431 -6.826 -4.226
12 HB3 CYS 3 HB3 CYS 3 3.249 -8.183 -3.459
13 HA HYP 4 HA HYP 4 2.298 -8.028 1.523
14 HB2 HYP 4 HB2 HYP 4 0.524 -7.679 2.983
15 HB3 HYP 4 HB3 HYP 4 -0.556 -8.757 2.090
16 HG HYP 4 HG HYP 4 -1.346 -6.699 1.306
17 HD22 HYP 4 HD2 HYP 4 -0.738 -7.330 -0.846
18 HD23 HYP 4 HD3 HYP 4 0.622 -6.222 -0.654
19 HD1 HYP 4 HOD HYP 4 1.104 -5.513 1.056
20 H CYS 5 H CYS 5 3.501 -9.780 1.798
21 HA CYS 5 HA CYS 5 2.286 -12.439 1.657
22 HB2 CYS 5 HB2 CYS 5 5.047 -11.368 1.407
23 HB3 CYS 5 HB3 CYS 5 4.877 -12.981 2.092
24 HA HYP 6 HA HYP 6 1.245 -13.326 5.103
25 HB2 HYP 6 HB2 HYP 6 1.222 -15.631 5.394
26 HB3 HYP 6 HB3 HYP 6 2.986 -15.740 5.479
27 HG HYP 6 HG HYP 6 2.672 -16.439 3.268
28 HD22 HYP 6 HD2 HYP 6 3.922 -14.615 2.555
29 HD23 HYP 6 HD3 HYP 6 2.381 -13.903 2.072
30 HD1 HYP 6 HOD HYP 6 0.712 -14.633 2.658
31 H ALA 7 H ALA 7 4.450 -12.631 5.523
32 HA ALA 7 HA ALA 7 4.640 -13.143 8.358
33 HB1 ALA 7 HB1 ALA 7 6.831 -12.427 8.223
34 HB2 ALA 7 HB2 ALA 7 6.553 -13.071 6.604
35 HB3 ALA 7 HB3 ALA 7 6.501 -11.330 6.882
36 H GLY 8 H GLY 8 4.203 -10.315 6.259
37 HA2 GLY 8 HA2 GLY 8 2.949 -8.405 6.780
38 HA3 GLY 8 HA3 GLY 8 2.905 -8.920 8.459
39 H ALA 9 H ALA 9 5.811 -9.333 8.568
40 HA ALA 9 HA ALA 9 6.549 -6.717 9.395
41 HB1 ALA 9 HB1 ALA 9 8.042 -9.310 9.160
42 HB2 ALA 9 HB2 ALA 9 8.847 -7.816 9.643
43 HB3 ALA 9 HB3 ALA 9 7.523 -8.458 10.615
44 H VAL 10 H VAL 10 8.550 -8.693 7.245
45 HA VAL 10 HA VAL 10 8.990 -6.298 5.590
46 HB VAL 10 HB VAL 10 10.986 -7.270 6.747
47 HG11 VAL 10 HG11 VAL 10 10.532 -9.568 4.847
48 HG12 VAL 10 HG12 VAL 10 11.944 -9.345 5.882
49 HG13 VAL 10 HG13 VAL 10 10.357 -9.625 6.600
50 HG21 VAL 10 HG21 VAL 10 10.992 -5.968 4.547
51 HG22 VAL 10 HG22 VAL 10 12.435 -6.902 4.941
52 HG23 VAL 10 HG23 VAL 10 11.274 -7.526 3.769
53 H ARG 11 H ARG 11 7.374 -9.195 5.598
54 HA ARG 11 HA ARG 11 7.830 -10.125 2.960
55 HB2 ARG 11 HB2 ARG 11 5.868 -10.658 5.116
56 HB3 ARG 11 HB3 ARG 11 5.354 -11.052 3.481
57 HG2 ARG 11 HG2 ARG 11 7.829 -12.084 4.850
58 HG3 ARG 11 HG3 ARG 11 6.332 -12.980 4.589
59 HD2 ARG 11 HD2 ARG 11 7.083 -11.965 2.082
60 HD3 ARG 11 HD3 ARG 11 8.558 -12.593 2.817
61 HE ARG 11 HE ARG 11 6.412 -14.115 1.771
62 HH11 ARG 11 HH11 ARG 11 8.732 -14.057 4.366
63 HH12 ARG 11 HH12 ARG 11 8.754 -15.778 4.559
64 HH21 ARG 11 HH21 ARG 11 6.432 -16.383 2.016
65 HH22 ARG 11 HH22 ARG 11 7.447 -17.101 3.221
66 H CYS 12 H CYS 12 6.277 -7.379 4.112
67 HA CYS 12 HA CYS 12 4.242 -7.190 2.086
68 HB2 CYS 12 HB2 CYS 12 4.300 -6.097 4.454
69 HB3 CYS 12 HB3 CYS 12 5.255 -4.846 3.664
70 H ARG 13 H ARG 13 5.590 -7.524 0.213
71 HA ARG 13 HA ARG 13 6.750 -5.009 -0.730
72 HB2 ARG 13 HB2 ARG 13 8.145 -7.668 -1.072
73 HB3 ARG 13 HB3 ARG 13 8.718 -6.099 -1.621
74 HG2 ARG 13 HG2 ARG 13 9.162 -5.376 0.572
75 HG3 ARG 13 HG3 ARG 13 8.237 -6.702 1.279
76 HD2 ARG 13 HD2 ARG 13 10.753 -6.925 1.374
77 HD3 ARG 13 HD3 ARG 13 9.878 -8.292 0.684
78 HE ARG 13 HE ARG 13 10.860 -7.862 -1.349
79 HH11 ARG 13 HH11 ARG 13 11.415 -5.188 0.809
80 HH12 ARG 13 HH12 ARG 13 12.561 -4.414 -0.235
81 HH21 ARG 13 HH21 ARG 13 12.368 -6.853 -2.732
82 HH22 ARG 13 HH22 ARG 13 13.101 -5.361 -2.249
83 H PHE 14 H PHE 14 6.650 -4.706 -2.964
84 HA PHE 14 HA PHE 14 4.478 -5.915 -4.280
85 HB2 PHE 14 HB2 PHE 14 5.419 -3.624 -4.744
86 HB3 PHE 14 HB3 PHE 14 6.745 -4.411 -5.595
87 HD1 PHE 14 HD1 PHE 14 6.552 -4.852 -7.853
88 HD2 PHE 14 HD2 PHE 14 3.030 -4.205 -5.552
89 HE1 PHE 14 HE1 PHE 14 5.203 -4.899 -9.911
90 HE2 PHE 14 HE2 PHE 14 1.676 -4.252 -7.606
91 HZ PHE 14 HZ PHE 14 2.762 -4.600 -9.789
92 H ALA 15 H ALA 15 7.866 -6.684 -4.167
93 HA ALA 15 HA ALA 15 8.227 -8.177 -6.461
94 HB1 ALA 15 HB1 ALA 15 9.348 -8.701 -3.711
95 HB2 ALA 15 HB2 ALA 15 9.952 -9.411 -5.209
96 HB3 ALA 15 HB3 ALA 15 10.052 -7.668 -4.956
97 H CYS 16 H CYS 16 6.581 -9.053 -3.485
98 HA CYS 16 HA CYS 16 6.385 -11.811 -3.847
99 HB2 CYS 16 HB2 CYS 16 5.151 -9.799 -2.174
100 HB3 CYS 16 HB3 CYS 16 3.969 -11.006 -2.670
101 H CYS 17 H CYS 17 4.506 -9.180 -5.213
102 HA CYS 17 HA CYS 17 2.416 -10.762 -6.285
103 HB2 CYS 17 HB2 CYS 17 3.279 -7.982 -6.410
104 HB3 CYS 17 HB3 CYS 17 2.631 -8.547 -7.946
105 HN1 NH2 18 H1 NH2 18 2.111 -11.609 -8.329
106 HN2 NH2 18 H2 NH2 18 3.349 -11.862 -9.478
Start of MODEL 5
1 H1 ASP 1 H ASP 1 3.253 1.744 -1.593
2 HA ASP 1 HA ASP 1 1.586 -0.008 0.018
3 HB2 ASP 1 HB2 ASP 1 0.677 -0.730 -2.199
4 HB3 ASP 1 HB3 ASP 1 0.523 0.998 -1.893
5 H CYS 2 H CYS 2 1.382 -2.336 -1.006
6 HA CYS 2 HA CYS 2 3.820 -3.503 -1.954
7 HB2 CYS 2 HB2 CYS 2 3.825 -5.075 0.167
8 HB3 CYS 2 HB3 CYS 2 4.695 -3.545 0.176
9 H CYS 3 H CYS 3 3.539 -6.090 -1.465
10 HA CYS 3 HA CYS 3 0.757 -6.763 -2.148
11 HB2 CYS 3 HB2 CYS 3 2.307 -6.732 -4.149
12 HB3 CYS 3 HB3 CYS 3 3.170 -8.074 -3.404
13 HA HYP 4 HA HYP 4 2.249 -8.006 1.587
14 HB2 HYP 4 HB2 HYP 4 0.477 -7.724 3.063
15 HB3 HYP 4 HB3 HYP 4 -0.580 -8.821 2.164
16 HG HYP 4 HG HYP 4 -1.432 -6.777 1.410
17 HD22 HYP 4 HD2 HYP 4 -0.822 -7.365 -0.753
18 HD23 HYP 4 HD3 HYP 4 0.509 -6.222 -0.558
19 HD1 HYP 4 HOD HYP 4 0.983 -5.520 1.158
20 H CYS 5 H CYS 5 3.507 -9.731 1.802
21 HA CYS 5 HA CYS 5 2.364 -12.419 1.648
22 HB2 CYS 5 HB2 CYS 5 5.089 -11.266 1.380
23 HB3 CYS 5 HB3 CYS 5 4.977 -12.888 2.057
24 HA HYP 6 HA HYP 6 1.382 -13.386 5.089
25 HB2 HYP 6 HB2 HYP 6 1.434 -15.695 5.349
26 HB3 HYP 6 HB3 HYP 6 3.200 -15.750 5.418
27 HG HYP 6 HG HYP 6 2.890 -16.428 3.200
28 HD22 HYP 6 HD2 HYP 6 4.076 -14.557 2.502
29 HD23 HYP 6 HD3 HYP 6 2.510 -13.888 2.041
30 HD1 HYP 6 HOD HYP 6 0.870 -14.677 2.631
31 H ALA 7 H ALA 7 4.566 -12.594 5.492
32 HA ALA 7 HA ALA 7 4.792 -13.136 8.321
33 HB1 ALA 7 HB1 ALA 7 6.592 -11.257 6.849
34 HB2 ALA 7 HB2 ALA 7 6.963 -12.356 8.178
35 HB3 ALA 7 HB3 ALA 7 6.691 -12.993 6.556
36 H GLY 8 H GLY 8 4.265 -10.298 6.255
37 HA2 GLY 8 HA2 GLY 8 2.961 -8.431 6.806
38 HA3 GLY 8 HA3 GLY 8 2.945 -8.963 8.481
39 H ALA 9 H ALA 9 5.863 -9.296 8.561
40 HA ALA 9 HA ALA 9 6.535 -6.666 9.405
41 HB1 ALA 9 HB1 ALA 9 7.690 -8.173 10.652
42 HB2 ALA 9 HB2 ALA 9 7.912 -9.289 9.304
43 HB3 ALA 9 HB3 ALA 9 8.916 -7.845 9.428
44 H VAL 10 H VAL 10 8.577 -8.572 7.231
45 HA VAL 10 HA VAL 10 8.950 -6.154 5.595
46 HB VAL 10 HB VAL 10 10.974 -7.100 6.724
47 HG11 VAL 10 HG11 VAL 10 11.964 -9.146 5.824
48 HG12 VAL 10 HG12 VAL 10 10.390 -9.466 6.556
49 HG13 VAL 10 HG13 VAL 10 10.548 -9.386 4.801
50 HG21 VAL 10 HG21 VAL 10 12.050 -6.059 5.086
51 HG22 VAL 10 HG22 VAL 10 11.886 -7.483 4.058
52 HG23 VAL 10 HG23 VAL 10 10.639 -6.236 4.043
53 H ARG 11 H ARG 11 7.402 -9.093 5.585
54 HA ARG 11 HA ARG 11 7.848 -9.974 2.928
55 HB2 ARG 11 HB2 ARG 11 5.922 -10.584 5.097
56 HB3 ARG 11 HB3 ARG 11 5.406 -10.974 3.462
57 HG2 ARG 11 HG2 ARG 11 7.920 -11.953 4.800
58 HG3 ARG 11 HG3 ARG 11 6.445 -12.887 4.543
59 HD2 ARG 11 HD2 ARG 11 7.145 -11.827 2.040
60 HD3 ARG 11 HD3 ARG 11 8.644 -12.421 2.755
61 HE ARG 11 HE ARG 11 6.530 -13.992 1.715
62 HH11 ARG 11 HH11 ARG 11 8.874 -13.894 4.287
63 HH12 ARG 11 HH12 ARG 11 8.946 -15.616 4.463
64 HH21 ARG 11 HH21 ARG 11 6.616 -16.261 1.936
65 HH22 ARG 11 HH22 ARG 11 7.663 -16.961 3.124
66 H CYS 12 H CYS 12 6.225 -7.292 4.146
67 HA CYS 12 HA CYS 12 4.172 -7.126 2.138
68 HB2 CYS 12 HB2 CYS 12 4.207 -6.078 4.523
69 HB3 CYS 12 HB3 CYS 12 5.130 -4.787 3.759
70 H ARG 13 H ARG 13 5.481 -7.369 0.236
71 HA ARG 13 HA ARG 13 6.553 -4.808 -0.672
72 HB2 ARG 13 HB2 ARG 13 8.072 -7.372 -1.144
73 HB3 ARG 13 HB3 ARG 13 8.589 -5.730 -1.505
74 HG2 ARG 13 HG2 ARG 13 8.594 -5.265 0.941
75 HG3 ARG 13 HG3 ARG 13 8.259 -6.976 1.213
76 HD2 ARG 13 HD2 ARG 13 10.700 -5.727 -0.020
77 HD3 ARG 13 HD3 ARG 13 10.598 -6.716 1.436
78 HE ARG 13 HE ARG 13 9.692 -8.308 -0.620
79 HH11 ARG 13 HH11 ARG 13 12.626 -6.603 0.160
80 HH12 ARG 13 HH12 ARG 13 13.653 -7.725 -0.670
81 HH21 ARG 13 HH21 ARG 13 11.034 -9.792 -1.716
82 HH22 ARG 13 HH22 ARG 13 12.746 -9.538 -1.737
83 H PHE 14 H PHE 14 6.444 -4.491 -2.906
84 HA PHE 14 HA PHE 14 4.320 -5.770 -4.231
85 HB2 PHE 14 HB2 PHE 14 5.003 -3.480 -4.759
86 HB3 PHE 14 HB3 PHE 14 6.544 -4.068 -5.375
87 HD1 PHE 14 HD1 PHE 14 2.899 -4.692 -5.890
88 HD2 PHE 14 HD2 PHE 14 6.751 -4.249 -7.647
89 HE1 PHE 14 HE1 PHE 14 1.904 -4.940 -8.127
90 HE2 PHE 14 HE2 PHE 14 5.761 -4.495 -9.886
91 HZ PHE 14 HZ PHE 14 3.335 -4.840 -10.128
92 H ALA 15 H ALA 15 7.734 -6.417 -4.124
93 HA ALA 15 HA ALA 15 8.154 -7.879 -6.424
94 HB1 ALA 15 HB1 ALA 15 9.930 -9.037 -5.211
95 HB2 ALA 15 HB2 ALA 15 9.933 -7.309 -4.857
96 HB3 ALA 15 HB3 ALA 15 9.275 -8.449 -3.683
97 H CYS 16 H CYS 16 6.528 -8.842 -3.464
98 HA CYS 16 HA CYS 16 6.418 -11.602 -3.874
99 HB2 CYS 16 HB2 CYS 16 5.153 -9.665 -2.144
100 HB3 CYS 16 HB3 CYS 16 3.988 -10.879 -2.662
101 H CYS 17 H CYS 17 4.459 -9.000 -5.179
102 HA CYS 17 HA CYS 17 2.404 -10.624 -6.264
103 HB2 CYS 17 HB2 CYS 17 3.173 -7.817 -6.324
104 HB3 CYS 17 HB3 CYS 17 2.547 -8.363 -7.876
105 HN1 NH2 18 H1 NH2 18 5.148 -8.990 -7.858
106 HN2 NH2 18 H2 NH2 18 5.301 -10.052 -9.187
Start of MODEL 6
1 H1 ASP 1 H ASP 1 3.179 1.905 -0.833
2 HA ASP 1 HA ASP 1 1.320 -0.211 -0.481
3 HB2 ASP 1 HB2 ASP 1 2.635 0.934 -2.948
4 HB3 ASP 1 HB3 ASP 1 1.403 -0.323 -3.004
5 H CYS 2 H CYS 2 1.460 -2.379 -1.181
6 HA CYS 2 HA CYS 2 3.938 -3.503 -2.074
7 HB2 CYS 2 HB2 CYS 2 3.914 -5.074 0.053
8 HB3 CYS 2 HB3 CYS 2 4.771 -3.536 0.070
9 H CYS 3 H CYS 3 3.690 -6.095 -1.580
10 HA CYS 3 HA CYS 3 0.937 -6.816 -2.334
11 HB2 CYS 3 HB2 CYS 3 3.486 -7.364 -3.748
12 HB3 CYS 3 HB3 CYS 3 2.334 -8.693 -3.668
13 HA HYP 4 HA HYP 4 2.353 -8.013 1.449
14 HB2 HYP 4 HB2 HYP 4 0.542 -7.740 2.880
15 HB3 HYP 4 HB3 HYP 4 -0.480 -8.854 1.963
16 HG HYP 4 HG HYP 4 -1.336 -6.824 1.174
17 HD22 HYP 4 HD2 HYP 4 -0.667 -7.420 -0.969
18 HD23 HYP 4 HD3 HYP 4 0.646 -6.262 -0.750
19 HD1 HYP 4 HOD HYP 4 1.071 -5.543 0.972
20 H CYS 5 H CYS 5 3.617 -9.717 1.738
21 HA CYS 5 HA CYS 5 2.501 -12.420 1.578
22 HB2 CYS 5 HB2 CYS 5 5.230 -11.256 1.354
23 HB3 CYS 5 HB3 CYS 5 5.099 -12.886 2.007
24 HA HYP 6 HA HYP 6 1.479 -13.340 5.021
25 HB2 HYP 6 HB2 HYP 6 1.528 -15.646 5.310
26 HB3 HYP 6 HB3 HYP 6 3.294 -15.699 5.397
27 HG HYP 6 HG HYP 6 3.006 -16.405 3.185
28 HD22 HYP 6 HD2 HYP 6 4.200 -14.542 2.477
29 HD23 HYP 6 HD3 HYP 6 2.638 -13.878 1.991
30 HD1 HYP 6 HOD HYP 6 0.992 -14.661 2.574
31 H ALA 7 H ALA 7 4.653 -12.533 5.447
32 HA ALA 7 HA ALA 7 4.854 -13.045 8.284
33 HB1 ALA 7 HB1 ALA 7 7.023 -12.256 8.154
34 HB2 ALA 7 HB2 ALA 7 6.771 -12.917 6.538
35 HB3 ALA 7 HB3 ALA 7 6.662 -11.177 6.807
36 H GLY 8 H GLY 8 4.337 -10.231 6.183
37 HA2 GLY 8 HA2 GLY 8 3.020 -8.363 6.702
38 HA3 GLY 8 HA3 GLY 8 2.994 -8.876 8.382
39 H ALA 9 H ALA 9 5.912 -9.196 8.488
40 HA ALA 9 HA ALA 9 6.567 -6.555 9.307
41 HB1 ALA 9 HB1 ALA 9 8.005 -9.158 9.197
42 HB2 ALA 9 HB2 ALA 9 8.942 -7.680 9.415
43 HB3 ALA 9 HB3 ALA 9 7.681 -8.102 10.573
44 H VAL 10 H VAL 10 8.641 -8.472 7.176
45 HA VAL 10 HA VAL 10 9.011 -6.073 5.512
46 HB VAL 10 HB VAL 10 11.031 -6.993 6.669
47 HG11 VAL 10 HG11 VAL 10 12.042 -9.043 5.790
48 HG12 VAL 10 HG12 VAL 10 10.473 -9.362 6.534
49 HG13 VAL 10 HG13 VAL 10 10.623 -9.307 4.777
50 HG21 VAL 10 HG21 VAL 10 11.065 -5.664 4.526
51 HG22 VAL 10 HG22 VAL 10 12.483 -6.671 4.819
52 HG23 VAL 10 HG23 VAL 10 11.249 -7.197 3.673
53 H ARG 11 H ARG 11 7.472 -9.014 5.524
54 HA ARG 11 HA ARG 11 7.949 -9.930 2.884
55 HB2 ARG 11 HB2 ARG 11 6.003 -10.517 5.042
56 HB3 ARG 11 HB3 ARG 11 5.504 -10.929 3.407
57 HG2 ARG 11 HG2 ARG 11 8.005 -11.885 4.784
58 HG3 ARG 11 HG3 ARG 11 6.536 -12.826 4.520
59 HD2 ARG 11 HD2 ARG 11 7.257 -11.798 2.013
60 HD3 ARG 11 HD3 ARG 11 8.755 -12.365 2.751
61 HE ARG 11 HE ARG 11 6.669 -13.974 1.711
62 HH11 ARG 11 HH11 ARG 11 8.984 -13.814 4.306
63 HH12 ARG 11 HH12 ARG 11 9.073 -15.533 4.507
64 HH21 ARG 11 HH21 ARG 11 6.777 -16.238 1.966
65 HH22 ARG 11 HH22 ARG 11 7.817 -16.911 3.175
66 H CYS 12 H CYS 12 6.301 -7.239 4.052
67 HA CYS 12 HA CYS 12 4.274 -7.106 2.013
68 HB2 CYS 12 HB2 CYS 12 4.288 -6.033 4.398
69 HB3 CYS 12 HB3 CYS 12 5.180 -4.735 3.611
70 H ARG 13 H ARG 13 5.629 -7.362 0.140
71 HA ARG 13 HA ARG 13 6.713 -4.800 -0.762
72 HB2 ARG 13 HB2 ARG 13 8.209 -7.373 -1.242
73 HB3 ARG 13 HB3 ARG 13 8.747 -5.732 -1.573
74 HG2 ARG 13 HG2 ARG 13 8.720 -5.306 0.884
75 HG3 ARG 13 HG3 ARG 13 8.381 -7.022 1.119
76 HD2 ARG 13 HD2 ARG 13 10.838 -5.741 -0.043
77 HD3 ARG 13 HD3 ARG 13 10.714 -6.787 1.370
78 HE ARG 13 HE ARG 13 10.871 -7.603 -1.390
79 HH11 ARG 13 HH11 ARG 13 9.946 -8.510 1.841
80 HH12 ARG 13 HH12 ARG 13 10.069 -10.211 1.539
81 HH21 ARG 13 HH21 ARG 13 11.037 -9.841 -1.801
82 HH22 ARG 13 HH22 ARG 13 10.691 -10.967 -0.533
83 H PHE 14 H PHE 14 6.624 -4.476 -2.997
84 HA PHE 14 HA PHE 14 4.504 -5.763 -4.338
85 HB2 PHE 14 HB2 PHE 14 5.539 -3.396 -4.694
86 HB3 PHE 14 HB3 PHE 14 6.630 -4.227 -5.797
87 HD1 PHE 14 HD1 PHE 14 5.608 -5.566 -7.699
88 HD2 PHE 14 HD2 PHE 14 3.408 -2.756 -5.379
89 HE1 PHE 14 HE1 PHE 14 3.917 -5.425 -9.480
90 HE2 PHE 14 HE2 PHE 14 1.713 -2.612 -7.156
91 HZ PHE 14 HZ PHE 14 1.965 -3.948 -9.209
92 H ALA 15 H ALA 15 7.903 -6.399 -4.173
93 HA ALA 15 HA ALA 15 8.310 -7.834 -6.528
94 HB1 ALA 15 HB1 ALA 15 10.053 -7.106 -4.864
95 HB2 ALA 15 HB2 ALA 15 9.590 -8.499 -3.887
96 HB3 ALA 15 HB3 ALA 15 10.248 -8.738 -5.505
97 H CYS 16 H CYS 16 6.773 -8.765 -3.526
98 HA CYS 16 HA CYS 16 6.798 -11.543 -3.810
99 HB2 CYS 16 HB2 CYS 16 5.546 -9.627 -2.109
100 HB3 CYS 16 HB3 CYS 16 4.312 -10.757 -2.656
101 H CYS 17 H CYS 17 4.662 -9.105 -5.179
102 HA CYS 17 HA CYS 17 2.664 -10.801 -6.170
103 HB2 CYS 17 HB2 CYS 17 3.529 -8.031 -6.605
104 HB3 CYS 17 HB3 CYS 17 2.769 -8.764 -8.014
105 HN1 NH2 18 H1 NH2 18 2.555 -12.148 -7.858
106 HN2 NH2 18 H2 NH2 18 3.721 -12.366 -9.086
Start of MODEL 7
1 H1 ASP 1 H ASP 1 3.666 1.527 -1.681
2 HA ASP 1 HA ASP 1 1.717 0.005 -0.080
3 HB2 ASP 1 HB2 ASP 1 1.866 -0.053 -3.086
4 HB3 ASP 1 HB3 ASP 1 0.520 -0.508 -2.044
5 H CYS 2 H CYS 2 1.496 -2.329 -1.127
6 HA CYS 2 HA CYS 2 3.941 -3.502 -2.050
7 HB2 CYS 2 HB2 CYS 2 3.890 -5.088 0.071
8 HB3 CYS 2 HB3 CYS 2 4.793 -3.577 0.083
9 H CYS 3 H CYS 3 3.639 -6.092 -1.571
10 HA CYS 3 HA CYS 3 0.865 -6.745 -2.311
11 HB2 CYS 3 HB2 CYS 3 3.394 -7.348 -3.743
12 HB3 CYS 3 HB3 CYS 3 2.203 -8.643 -3.669
13 HA HYP 4 HA HYP 4 2.289 -7.999 1.453
14 HB2 HYP 4 HB2 HYP 4 0.500 -7.688 2.904
15 HB3 HYP 4 HB3 HYP 4 -0.560 -8.770 1.991
16 HG HYP 4 HG HYP 4 -1.370 -6.714 1.224
17 HD22 HYP 4 HD2 HYP 4 -0.739 -7.313 -0.930
18 HD23 HYP 4 HD3 HYP 4 0.606 -6.191 -0.717
19 HD1 HYP 4 HOD HYP 4 1.067 -5.494 1.005
20 H CYS 5 H CYS 5 3.497 -9.728 1.789
21 HA CYS 5 HA CYS 5 2.313 -12.403 1.601
22 HB2 CYS 5 HB2 CYS 5 5.072 -11.314 1.363
23 HB3 CYS 5 HB3 CYS 5 4.899 -12.943 2.008
24 HA HYP 6 HA HYP 6 1.293 -13.305 5.050
25 HB2 HYP 6 HB2 HYP 6 1.282 -15.612 5.332
26 HB3 HYP 6 HB3 HYP 6 3.046 -15.714 5.406
27 HG HYP 6 HG HYP 6 2.722 -16.405 3.194
28 HD22 HYP 6 HD2 HYP 6 3.960 -14.573 2.481
29 HD23 HYP 6 HD3 HYP 6 2.413 -13.866 2.010
30 HD1 HYP 6 HOD HYP 6 0.751 -14.605 2.603
31 H ALA 7 H ALA 7 4.493 -12.590 5.454
32 HA ALA 7 HA ALA 7 4.709 -13.118 8.284
33 HB1 ALA 7 HB1 ALA 7 6.892 -12.368 8.139
34 HB2 ALA 7 HB2 ALA 7 6.610 -13.021 6.524
35 HB3 ALA 7 HB3 ALA 7 6.538 -11.280 6.796
36 H GLY 8 H GLY 8 4.229 -10.280 6.208
37 HA2 GLY 8 HA2 GLY 8 2.951 -8.392 6.756
38 HA3 GLY 8 HA3 GLY 8 2.941 -8.913 8.435
39 H ALA 9 H ALA 9 5.853 -9.289 8.495
40 HA ALA 9 HA ALA 9 6.572 -6.665 9.316
41 HB1 ALA 9 HB1 ALA 9 8.058 -9.255 9.080
42 HB2 ALA 9 HB2 ALA 9 8.898 -7.759 9.489
43 HB3 ALA 9 HB3 ALA 9 7.606 -8.357 10.530
44 H VAL 10 H VAL 10 8.586 -8.602 7.149
45 HA VAL 10 HA VAL 10 8.969 -6.201 5.490
46 HB VAL 10 HB VAL 10 10.771 -8.618 5.599
47 HG11 VAL 10 HG11 VAL 10 11.817 -7.646 3.901
48 HG12 VAL 10 HG12 VAL 10 10.647 -6.325 3.919
49 HG13 VAL 10 HG13 VAL 10 12.109 -6.222 4.900
50 HG21 VAL 10 HG21 VAL 10 11.060 -6.009 7.088
51 HG22 VAL 10 HG22 VAL 10 10.649 -7.565 7.811
52 HG23 VAL 10 HG23 VAL 10 12.229 -7.329 7.065
53 H ARG 11 H ARG 11 7.421 -9.153 5.511
54 HA ARG 11 HA ARG 11 7.828 -10.059 2.867
55 HB2 ARG 11 HB2 ARG 11 5.888 -10.597 5.042
56 HB3 ARG 11 HB3 ARG 11 5.360 -10.992 3.411
57 HG2 ARG 11 HG2 ARG 11 7.847 -12.020 4.763
58 HG3 ARG 11 HG3 ARG 11 6.351 -12.919 4.505
59 HD2 ARG 11 HD2 ARG 11 7.068 -11.911 1.995
60 HD3 ARG 11 HD3 ARG 11 8.568 -12.493 2.716
61 HE ARG 11 HE ARG 11 6.436 -14.081 1.722
62 HH11 ARG 11 HH11 ARG 11 8.850 -13.944 4.226
63 HH12 ARG 11 HH12 ARG 11 8.939 -15.664 4.415
64 HH21 ARG 11 HH21 ARG 11 6.544 -16.347 1.961
65 HH22 ARG 11 HH22 ARG 11 7.628 -17.030 3.125
66 H CYS 12 H CYS 12 6.260 -7.325 4.044
67 HA CYS 12 HA CYS 12 4.213 -7.140 2.034
68 HB2 CYS 12 HB2 CYS 12 4.312 -6.043 4.409
69 HB3 CYS 12 HB3 CYS 12 5.220 -4.780 3.584
70 H ARG 13 H ARG 13 5.737 -7.549 0.231
71 HA ARG 13 HA ARG 13 6.867 -5.007 -0.721
72 HB2 ARG 13 HB2 ARG 13 8.130 -7.740 -1.002
73 HB3 ARG 13 HB3 ARG 13 8.712 -6.276 -1.783
74 HG2 ARG 13 HG2 ARG 13 9.498 -5.374 0.184
75 HG3 ARG 13 HG3 ARG 13 8.409 -6.340 1.183
76 HD2 ARG 13 HD2 ARG 13 10.656 -7.163 1.442
77 HD3 ARG 13 HD3 ARG 13 9.702 -8.357 0.564
78 HE ARG 13 HE ARG 13 10.948 -6.756 -1.330
79 HH11 ARG 13 HH11 ARG 13 11.859 -8.975 1.193
80 HH12 ARG 13 HH12 ARG 13 13.319 -9.474 0.406
81 HH21 ARG 13 HH21 ARG 13 12.867 -7.405 -2.376
82 HH22 ARG 13 HH22 ARG 13 13.892 -8.580 -1.624
83 H PHE 14 H PHE 14 6.724 -4.631 -2.938
84 HA PHE 14 HA PHE 14 4.485 -5.759 -4.239
85 HB2 PHE 14 HB2 PHE 14 5.489 -3.443 -4.595
86 HB3 PHE 14 HB3 PHE 14 6.699 -4.230 -5.603
87 HD1 PHE 14 HD1 PHE 14 3.249 -3.130 -5.352
88 HD2 PHE 14 HD2 PHE 14 6.055 -5.285 -7.720
89 HE1 PHE 14 HE1 PHE 14 1.720 -3.003 -7.275
90 HE2 PHE 14 HE2 PHE 14 4.530 -5.160 -9.646
91 HZ PHE 14 HZ PHE 14 2.359 -4.017 -9.426
92 H ALA 15 H ALA 15 7.859 -6.562 -4.222
93 HA ALA 15 HA ALA 15 8.078 -7.974 -6.621
94 HB1 ALA 15 HB1 ALA 15 10.051 -8.916 -5.754
95 HB2 ALA 15 HB2 ALA 15 9.923 -7.327 -4.998
96 HB3 ALA 15 HB3 ALA 15 9.485 -8.774 -4.090
97 H CYS 16 H CYS 16 6.643 -8.862 -3.565
98 HA CYS 16 HA CYS 16 6.562 -11.636 -3.829
99 HB2 CYS 16 HB2 CYS 16 5.423 -9.672 -2.112
100 HB3 CYS 16 HB3 CYS 16 4.128 -10.748 -2.627
101 H CYS 17 H CYS 17 4.463 -9.144 -5.162
102 HA CYS 17 HA CYS 17 2.378 -10.756 -6.082
103 HB2 CYS 17 HB2 CYS 17 3.373 -8.051 -6.605
104 HB3 CYS 17 HB3 CYS 17 2.570 -8.779 -7.992
105 HN1 NH2 18 H1 NH2 18 2.469 -12.433 -7.410
106 HN2 NH2 18 H2 NH2 18 3.485 -12.650 -8.766
Start of MODEL 8
1 H1 ASP 1 H ASP 1 3.329 1.552 -0.115
2 HA ASP 1 HA ASP 1 1.251 -0.285 -0.949
3 HB2 ASP 1 HB2 ASP 1 3.241 1.458 -2.346
4 HB3 ASP 1 HB3 ASP 1 2.514 0.118 -3.229
5 H CYS 2 H CYS 2 1.489 -2.404 -1.190
6 HA CYS 2 HA CYS 2 3.945 -3.596 -2.057
7 HB2 CYS 2 HB2 CYS 2 3.895 -5.124 0.097
8 HB3 CYS 2 HB3 CYS 2 4.771 -3.597 0.092
9 H CYS 3 H CYS 3 3.645 -6.172 -1.519
10 HA CYS 3 HA CYS 3 0.877 -6.852 -2.255
11 HB2 CYS 3 HB2 CYS 3 2.474 -6.870 -4.218
12 HB3 CYS 3 HB3 CYS 3 3.318 -8.195 -3.422
13 HA HYP 4 HA HYP 4 2.275 -8.017 1.542
14 HB2 HYP 4 HB2 HYP 4 0.468 -7.696 2.968
15 HB3 HYP 4 HB3 HYP 4 -0.571 -8.809 2.067
16 HG HYP 4 HG HYP 4 -1.396 -6.779 1.248
17 HD22 HYP 4 HD2 HYP 4 -0.736 -7.417 -0.886
18 HD23 HYP 4 HD3 HYP 4 0.594 -6.275 -0.683
19 HD1 HYP 4 HOD HYP 4 1.029 -5.536 1.028
20 H CYS 5 H CYS 5 3.521 -9.742 1.817
21 HA CYS 5 HA CYS 5 2.372 -12.429 1.697
22 HB2 CYS 5 HB2 CYS 5 5.108 -11.293 1.473
23 HB3 CYS 5 HB3 CYS 5 4.969 -12.902 2.174
24 HA HYP 6 HA HYP 6 1.305 -13.315 5.135
25 HB2 HYP 6 HB2 HYP 6 1.340 -15.618 5.446
26 HB3 HYP 6 HB3 HYP 6 3.104 -15.679 5.557
27 HG HYP 6 HG HYP 6 2.841 -16.405 3.348
28 HD22 HYP 6 HD2 HYP 6 4.052 -14.555 2.637
29 HD23 HYP 6 HD3 HYP 6 2.500 -13.888 2.126
30 HD1 HYP 6 HOD HYP 6 0.843 -14.657 2.694
31 H ALA 7 H ALA 7 4.481 -12.524 5.594
32 HA ALA 7 HA ALA 7 4.640 -13.006 8.439
33 HB1 ALA 7 HB1 ALA 7 6.580 -12.915 6.719
34 HB2 ALA 7 HB2 ALA 7 6.482 -11.171 6.964
35 HB3 ALA 7 HB3 ALA 7 6.817 -12.236 8.329
36 H GLY 8 H GLY 8 4.174 -10.213 6.299
37 HA2 GLY 8 HA2 GLY 8 2.868 -8.327 6.778
38 HA3 GLY 8 HA3 GLY 8 2.809 -8.823 8.463
39 H ALA 9 H ALA 9 5.722 -9.168 8.622
40 HA ALA 9 HA ALA 9 6.387 -6.525 9.426
41 HB1 ALA 9 HB1 ALA 9 7.682 -9.168 9.480
42 HB2 ALA 9 HB2 ALA 9 8.773 -7.782 9.454
43 HB3 ALA 9 HB3 ALA 9 7.567 -7.931 10.732
44 H VAL 10 H VAL 10 8.471 -8.482 7.340
45 HA VAL 10 HA VAL 10 8.890 -6.100 5.662
46 HB VAL 10 HB VAL 10 10.885 -7.023 6.858
47 HG11 VAL 10 HG11 VAL 10 10.483 -9.357 4.988
48 HG12 VAL 10 HG12 VAL 10 11.890 -9.093 6.020
49 HG13 VAL 10 HG13 VAL 10 10.309 -9.388 6.743
50 HG21 VAL 10 HG21 VAL 10 11.849 -7.475 4.219
51 HG22 VAL 10 HG22 VAL 10 10.615 -6.217 4.155
52 HG23 VAL 10 HG23 VAL 10 12.009 -6.031 5.219
53 H ARG 11 H ARG 11 7.337 -9.036 5.678
54 HA ARG 11 HA ARG 11 7.843 -9.972 3.051
55 HB2 ARG 11 HB2 ARG 11 5.859 -10.533 5.184
56 HB3 ARG 11 HB3 ARG 11 5.394 -10.966 3.544
57 HG2 ARG 11 HG2 ARG 11 7.850 -11.912 5.007
58 HG3 ARG 11 HG3 ARG 11 6.396 -12.855 4.675
59 HD2 ARG 11 HD2 ARG 11 7.291 -11.771 2.218
60 HD3 ARG 11 HD3 ARG 11 8.693 -12.464 3.033
61 HE ARG 11 HE ARG 11 6.370 -14.172 2.987
62 HH11 ARG 11 HH11 ARG 11 9.282 -13.205 1.341
63 HH12 ARG 11 HH12 ARG 11 9.422 -14.682 0.447
64 HH21 ARG 11 HH21 ARG 11 6.544 -16.121 1.815
65 HH22 ARG 11 HH22 ARG 11 7.864 -16.340 0.716
66 H CYS 12 H CYS 12 6.198 -7.263 4.175
67 HA CYS 12 HA CYS 12 4.190 -7.138 2.118
68 HB2 CYS 12 HB2 CYS 12 4.168 -6.042 4.480
69 HB3 CYS 12 HB3 CYS 12 5.115 -4.769 3.716
70 H ARG 13 H ARG 13 5.543 -7.421 0.253
71 HA ARG 13 HA ARG 13 6.639 -4.880 -0.683
72 HB2 ARG 13 HB2 ARG 13 8.165 -7.454 -1.066
73 HB3 ARG 13 HB3 ARG 13 8.692 -5.821 -1.451
74 HG2 ARG 13 HG2 ARG 13 8.639 -5.303 0.985
75 HG3 ARG 13 HG3 ARG 13 8.301 -7.009 1.285
76 HD2 ARG 13 HD2 ARG 13 10.767 -5.780 0.080
77 HD3 ARG 13 HD3 ARG 13 10.635 -6.737 1.555
78 HE ARG 13 HE ARG 13 9.778 -8.374 -0.489
79 HH11 ARG 13 HH11 ARG 13 12.691 -6.652 0.329
80 HH12 ARG 13 HH12 ARG 13 13.738 -7.791 -0.451
81 HH21 ARG 13 HH21 ARG 13 11.146 -9.880 -1.519
82 HH22 ARG 13 HH22 ARG 13 12.859 -9.626 -1.503
83 H PHE 14 H PHE 14 6.583 -4.609 -2.925
84 HA PHE 14 HA PHE 14 4.488 -5.912 -4.273
85 HB2 PHE 14 HB2 PHE 14 5.489 -3.586 -4.712
86 HB3 PHE 14 HB3 PHE 14 6.706 -4.427 -5.666
87 HD1 PHE 14 HD1 PHE 14 6.085 -5.590 -7.726
88 HD2 PHE 14 HD2 PHE 14 3.246 -3.337 -5.495
89 HE1 PHE 14 HE1 PHE 14 4.572 -5.583 -9.666
90 HE2 PHE 14 HE2 PHE 14 1.728 -3.327 -7.431
91 HZ PHE 14 HZ PHE 14 2.389 -4.451 -9.520
92 H ALA 15 H ALA 15 7.897 -6.563 -4.074
93 HA ALA 15 HA ALA 15 8.366 -8.075 -6.331
94 HB1 ALA 15 HB1 ALA 15 10.179 -9.082 -5.166
95 HB2 ALA 15 HB2 ALA 15 10.034 -7.426 -4.574
96 HB3 ALA 15 HB3 ALA 15 9.429 -8.767 -3.601
97 H CYS 16 H CYS 16 6.668 -8.971 -3.390
98 HA CYS 16 HA CYS 16 6.560 -11.739 -3.743
99 HB2 CYS 16 HB2 CYS 16 5.256 -9.760 -2.089
100 HB3 CYS 16 HB3 CYS 16 4.105 -10.988 -2.607
101 H CYS 17 H CYS 17 4.641 -9.162 -5.152
102 HA CYS 17 HA CYS 17 2.610 -10.807 -6.252
103 HB2 CYS 17 HB2 CYS 17 3.385 -8.002 -6.354
104 HB3 CYS 17 HB3 CYS 17 2.789 -8.581 -7.906
105 HN1 NH2 18 H1 NH2 18 2.470 -11.872 -8.155
106 HN2 NH2 18 H2 NH2 18 3.694 -12.008 -9.337
Start of MODEL 9
1 H1 ASP 1 H ASP 1 3.282 1.869 -0.809
2 HA ASP 1 HA ASP 1 1.420 -0.223 -0.545
3 HB2 ASP 1 HB2 ASP 1 2.838 0.769 -3.028
4 HB3 ASP 1 HB3 ASP 1 1.407 -0.258 -3.014
5 H CYS 2 H CYS 2 1.499 -2.390 -1.184
6 HA CYS 2 HA CYS 2 3.921 -3.603 -2.114
7 HB2 CYS 2 HB2 CYS 2 3.896 -5.150 0.027
8 HB3 CYS 2 HB3 CYS 2 4.793 -3.635 0.017
9 H CYS 3 H CYS 3 3.602 -6.180 -1.592
10 HA CYS 3 HA CYS 3 0.812 -6.820 -2.281
11 HB2 CYS 3 HB2 CYS 3 2.434 -6.840 -4.254
12 HB3 CYS 3 HB3 CYS 3 3.183 -8.238 -3.490
13 HA HYP 4 HA HYP 4 2.263 -8.030 1.482
14 HB2 HYP 4 HB2 HYP 4 0.488 -7.695 2.943
15 HB3 HYP 4 HB3 HYP 4 -0.582 -8.787 2.055
16 HG HYP 4 HG HYP 4 -1.395 -6.740 1.265
17 HD22 HYP 4 HD2 HYP 4 -0.784 -7.371 -0.885
18 HD23 HYP 4 HD3 HYP 4 0.566 -6.249 -0.699
19 HD1 HYP 4 HOD HYP 4 1.042 -5.529 1.008
20 H CYS 5 H CYS 5 3.489 -9.772 1.733
21 HA CYS 5 HA CYS 5 2.300 -12.442 1.615
22 HB2 CYS 5 HB2 CYS 5 5.052 -11.346 1.352
23 HB3 CYS 5 HB3 CYS 5 4.895 -12.963 2.031
24 HA HYP 6 HA HYP 6 1.289 -13.330 5.069
25 HB2 HYP 6 HB2 HYP 6 1.292 -15.635 5.367
26 HB3 HYP 6 HB3 HYP 6 3.057 -15.725 5.441
27 HG HYP 6 HG HYP 6 2.736 -16.433 3.234
28 HD22 HYP 6 HD2 HYP 6 3.963 -14.599 2.508
29 HD23 HYP 6 HD3 HYP 6 2.412 -13.904 2.033
30 HD1 HYP 6 HOD HYP 6 0.754 -14.649 2.631
31 H ALA 7 H ALA 7 4.484 -12.591 5.467
32 HA ALA 7 HA ALA 7 4.698 -13.096 8.303
33 HB1 ALA 7 HB1 ALA 7 6.602 -13.013 6.542
34 HB2 ALA 7 HB2 ALA 7 6.529 -11.270 6.803
35 HB3 ALA 7 HB3 ALA 7 6.881 -12.350 8.152
36 H GLY 8 H GLY 8 4.218 -10.280 6.198
37 HA2 GLY 8 HA2 GLY 8 2.937 -8.388 6.726
38 HA3 GLY 8 HA3 GLY 8 2.926 -8.891 8.409
39 H ALA 9 H ALA 9 5.839 -9.263 8.477
40 HA ALA 9 HA ALA 9 6.552 -6.627 9.267
41 HB1 ALA 9 HB1 ALA 9 7.959 -9.252 9.145
42 HB2 ALA 9 HB2 ALA 9 8.902 -7.779 9.380
43 HB3 ALA 9 HB3 ALA 9 7.636 -8.209 10.530
44 H VAL 10 H VAL 10 8.574 -8.597 7.137
45 HA VAL 10 HA VAL 10 8.979 -6.220 5.452
46 HB VAL 10 HB VAL 10 10.751 -8.657 5.591
47 HG11 VAL 10 HG11 VAL 10 12.122 -6.295 4.852
48 HG12 VAL 10 HG12 VAL 10 11.799 -7.726 3.870
49 HG13 VAL 10 HG13 VAL 10 10.655 -6.383 3.879
50 HG21 VAL 10 HG21 VAL 10 11.077 -6.029 7.035
51 HG22 VAL 10 HG22 VAL 10 10.641 -7.564 7.786
52 HG23 VAL 10 HG23 VAL 10 12.226 -7.368 7.036
53 H ARG 11 H ARG 11 7.432 -9.186 5.499
54 HA ARG 11 HA ARG 11 7.818 -10.096 2.857
55 HB2 ARG 11 HB2 ARG 11 5.881 -10.619 5.040
56 HB3 ARG 11 HB3 ARG 11 5.354 -11.026 3.412
57 HG2 ARG 11 HG2 ARG 11 7.844 -12.041 4.768
58 HG3 ARG 11 HG3 ARG 11 6.347 -12.944 4.526
59 HD2 ARG 11 HD2 ARG 11 7.065 -11.952 2.005
60 HD3 ARG 11 HD3 ARG 11 8.557 -12.551 2.729
61 HE ARG 11 HE ARG 11 6.419 -14.115 1.726
62 HH11 ARG 11 HH11 ARG 11 8.772 -13.994 4.290
63 HH12 ARG 11 HH12 ARG 11 8.822 -15.713 4.501
64 HH21 ARG 11 HH21 ARG 11 6.476 -16.379 1.996
65 HH22 ARG 11 HH22 ARG 11 7.516 -17.069 3.195
66 H CYS 12 H CYS 12 6.238 -7.365 4.040
67 HA CYS 12 HA CYS 12 4.198 -7.184 2.023
68 HB2 CYS 12 HB2 CYS 12 4.254 -6.102 4.394
69 HB3 CYS 12 HB3 CYS 12 5.197 -4.839 3.608
70 H ARG 13 H ARG 13 5.727 -7.577 0.222
71 HA ARG 13 HA ARG 13 6.824 -5.022 -0.729
72 HB2 ARG 13 HB2 ARG 13 8.163 -7.721 -0.994
73 HB3 ARG 13 HB3 ARG 13 8.725 -6.230 -1.738
74 HG2 ARG 13 HG2 ARG 13 9.378 -5.313 0.294
75 HG3 ARG 13 HG3 ARG 13 8.371 -6.423 1.226
76 HD2 ARG 13 HD2 ARG 13 10.685 -7.058 1.459
77 HD3 ARG 13 HD3 ARG 13 9.834 -8.284 0.520
78 HE ARG 13 HE ARG 13 10.903 -6.564 -1.332
79 HH11 ARG 13 HH11 ARG 13 12.136 -8.556 1.243
80 HH12 ARG 13 HH12 ARG 13 13.665 -8.829 0.476
81 HH21 ARG 13 HH21 ARG 13 12.913 -6.916 -2.353
82 HH22 ARG 13 HH22 ARG 13 14.106 -7.895 -1.569
83 H PHE 14 H PHE 14 6.727 -4.685 -2.962
84 HA PHE 14 HA PHE 14 4.520 -5.834 -4.280
85 HB2 PHE 14 HB2 PHE 14 5.681 -3.542 -4.657
86 HB3 PHE 14 HB3 PHE 14 6.739 -4.434 -5.745
87 HD1 PHE 14 HD1 PHE 14 5.749 -5.614 -7.713
88 HD2 PHE 14 HD2 PHE 14 3.513 -2.907 -5.307
89 HE1 PHE 14 HE1 PHE 14 4.086 -5.393 -9.513
90 HE2 PHE 14 HE2 PHE 14 1.846 -2.683 -7.102
91 HZ PHE 14 HZ PHE 14 2.131 -3.928 -9.208
92 H ALA 15 H ALA 15 7.898 -6.649 -4.208
93 HA ALA 15 HA ALA 15 8.197 -8.112 -6.539
94 HB1 ALA 15 HB1 ALA 15 10.213 -8.095 -5.574
95 HB2 ALA 15 HB2 ALA 15 9.536 -7.982 -3.949
96 HB3 ALA 15 HB3 ALA 15 9.673 -9.552 -4.739
97 H CYS 16 H CYS 16 6.622 -8.997 -3.532
98 HA CYS 16 HA CYS 16 6.419 -11.754 -3.887
99 HB2 CYS 16 HB2 CYS 16 5.249 -9.753 -2.177
100 HB3 CYS 16 HB3 CYS 16 4.016 -10.905 -2.680
101 H CYS 17 H CYS 17 4.546 -9.128 -5.257
102 HA CYS 17 HA CYS 17 2.421 -10.700 -6.276
103 HB2 CYS 17 HB2 CYS 17 3.284 -7.935 -6.404
104 HB3 CYS 17 HB3 CYS 17 2.692 -8.489 -7.967
105 HN1 NH2 18 H1 NH2 18 2.517 -12.183 -7.816
106 HN2 NH2 18 H2 NH2 18 3.579 -12.249 -9.151
Start of MODEL 10
1 H1 ASP 1 H ASP 1 3.492 1.468 -0.120
2 HA ASP 1 HA ASP 1 1.224 -0.267 -0.749
3 HB2 ASP 1 HB2 ASP 1 3.179 1.268 -2.458
4 HB3 ASP 1 HB3 ASP 1 2.068 0.081 -3.136
5 H CYS 2 H CYS 2 1.421 -2.387 -1.091
6 HA CYS 2 HA CYS 2 3.836 -3.588 -2.053
7 HB2 CYS 2 HB2 CYS 2 3.840 -5.143 0.083
8 HB3 CYS 2 HB3 CYS 2 4.733 -3.626 0.067
9 H CYS 3 H CYS 3 3.531 -6.168 -1.537
10 HA CYS 3 HA CYS 3 0.735 -6.814 -2.195
11 HB2 CYS 3 HB2 CYS 3 2.338 -6.823 -4.186
12 HB3 CYS 3 HB3 CYS 3 3.093 -8.226 -3.436
13 HA HYP 4 HA HYP 4 2.234 -8.033 1.547
14 HB2 HYP 4 HB2 HYP 4 0.475 -7.708 3.030
15 HB3 HYP 4 HB3 HYP 4 -0.603 -8.800 2.150
16 HG HYP 4 HG HYP 4 -1.430 -6.753 1.377
17 HD22 HYP 4 HD2 HYP 4 -0.843 -7.375 -0.782
18 HD23 HYP 4 HD3 HYP 4 0.506 -6.249 -0.609
19 HD1 HYP 4 HOD HYP 4 1.000 -5.533 1.096
20 H CYS 5 H CYS 5 3.468 -9.772 1.776
21 HA CYS 5 HA CYS 5 2.285 -12.445 1.663
22 HB2 CYS 5 HB2 CYS 5 5.029 -11.340 1.371
23 HB3 CYS 5 HB3 CYS 5 4.886 -12.959 2.047
24 HA HYP 6 HA HYP 6 1.317 -13.349 5.126
25 HB2 HYP 6 HB2 HYP 6 1.332 -15.655 5.415
26 HB3 HYP 6 HB3 HYP 6 3.097 -15.740 5.468
27 HG HYP 6 HG HYP 6 2.754 -16.441 3.263
28 HD22 HYP 6 HD2 HYP 6 3.966 -14.600 2.529
29 HD23 HYP 6 HD3 HYP 6 2.407 -13.909 2.074
30 HD1 HYP 6 HOD HYP 6 0.759 -14.662 2.689
31 H ALA 7 H ALA 7 4.514 -12.601 5.489
32 HA ALA 7 HA ALA 7 4.763 -13.114 8.321
33 HB1 ALA 7 HB1 ALA 7 6.571 -11.277 6.807
34 HB2 ALA 7 HB2 ALA 7 6.942 -12.362 8.148
35 HB3 ALA 7 HB3 ALA 7 6.646 -13.019 6.538
36 H GLY 8 H GLY 8 4.250 -10.293 6.230
37 HA2 GLY 8 HA2 GLY 8 2.971 -8.406 6.778
38 HA3 GLY 8 HA3 GLY 8 2.980 -8.915 8.460
39 H ALA 9 H ALA 9 5.894 -9.278 8.495
40 HA ALA 9 HA ALA 9 6.609 -6.643 9.284
41 HB1 ALA 9 HB1 ALA 9 8.901 -7.665 9.563
42 HB2 ALA 9 HB2 ALA 9 7.599 -8.430 10.475
43 HB3 ALA 9 HB3 ALA 9 8.198 -9.180 8.996
44 H VAL 10 H VAL 10 8.612 -8.601 7.125
45 HA VAL 10 HA VAL 10 8.991 -6.217 5.443
46 HB VAL 10 HB VAL 10 10.771 -8.651 5.554
47 HG11 VAL 10 HG11 VAL 10 12.130 -6.286 4.805
48 HG12 VAL 10 HG12 VAL 10 11.794 -7.713 3.822
49 HG13 VAL 10 HG13 VAL 10 10.649 -6.370 3.851
50 HG21 VAL 10 HG21 VAL 10 12.259 -7.362 6.984
51 HG22 VAL 10 HG22 VAL 10 11.111 -6.024 7.001
52 HG23 VAL 10 HG23 VAL 10 10.684 -7.561 7.752
53 H ARG 11 H ARG 11 7.453 -9.188 5.498
54 HA ARG 11 HA ARG 11 7.811 -10.088 2.848
55 HB2 ARG 11 HB2 ARG 11 5.901 -10.624 5.052
56 HB3 ARG 11 HB3 ARG 11 5.356 -11.028 3.429
57 HG2 ARG 11 HG2 ARG 11 7.865 -12.039 4.753
58 HG3 ARG 11 HG3 ARG 11 6.368 -12.945 4.525
59 HD2 ARG 11 HD2 ARG 11 7.055 -11.943 1.999
60 HD3 ARG 11 HD3 ARG 11 8.557 -12.541 2.704
61 HE ARG 11 HE ARG 11 6.411 -14.106 1.721
62 HH11 ARG 11 HH11 ARG 11 8.792 -13.989 4.257
63 HH12 ARG 11 HH12 ARG 11 8.849 -15.708 4.462
64 HH21 ARG 11 HH21 ARG 11 6.476 -16.371 1.981
65 HH22 ARG 11 HH22 ARG 11 7.531 -17.063 3.166
66 H CYS 12 H CYS 12 6.236 -7.365 4.060
67 HA CYS 12 HA CYS 12 4.172 -7.184 2.068
68 HB2 CYS 12 HB2 CYS 12 4.253 -6.110 4.442
69 HB3 CYS 12 HB3 CYS 12 5.183 -4.842 3.650
70 H ARG 13 H ARG 13 5.682 -7.566 0.248
71 HA ARG 13 HA ARG 13 6.760 -5.004 -0.706
72 HB2 ARG 13 HB2 ARG 13 8.103 -7.699 -0.991
73 HB3 ARG 13 HB3 ARG 13 8.651 -6.208 -1.746
74 HG2 ARG 13 HG2 ARG 13 9.323 -5.282 0.279
75 HG3 ARG 13 HG3 ARG 13 8.340 -6.403 1.224
76 HD2 ARG 13 HD2 ARG 13 10.665 -7.015 1.418
77 HD3 ARG 13 HD3 ARG 13 9.809 -8.250 0.495
78 HE ARG 13 HE ARG 13 10.823 -6.537 -1.385
79 HH11 ARG 13 HH11 ARG 13 12.143 -8.459 1.200
80 HH12 ARG 13 HH12 ARG 13 13.667 -8.705 0.414
81 HH21 ARG 13 HH21 ARG 13 12.825 -6.855 -2.431
82 HH22 ARG 13 HH22 ARG 13 14.054 -7.792 -1.651
83 H PHE 14 H PHE 14 6.637 -4.660 -2.937
84 HA PHE 14 HA PHE 14 4.417 -5.811 -4.234
85 HB2 PHE 14 HB2 PHE 14 5.229 -3.538 -4.721
86 HB3 PHE 14 HB3 PHE 14 6.693 -4.214 -5.428
87 HD1 PHE 14 HD1 PHE 14 6.700 -3.921 -7.699
88 HD2 PHE 14 HD2 PHE 14 3.065 -5.018 -5.776
89 HE1 PHE 14 HE1 PHE 14 5.585 -4.049 -9.888
90 HE2 PHE 14 HE2 PHE 14 1.944 -5.148 -7.962
91 HZ PHE 14 HZ PHE 14 3.204 -4.665 -10.022
92 H ALA 15 H ALA 15 7.796 -6.620 -4.200
93 HA ALA 15 HA ALA 15 8.074 -8.073 -6.541
94 HB1 ALA 15 HB1 ALA 15 9.824 -9.357 -5.325
95 HB2 ALA 15 HB2 ALA 15 9.977 -7.607 -5.158
96 HB3 ALA 15 HB3 ALA 15 9.308 -8.564 -3.836
97 H CYS 16 H CYS 16 6.532 -8.974 -3.521
98 HA CYS 16 HA CYS 16 6.328 -11.729 -3.887
99 HB2 CYS 16 HB2 CYS 16 5.169 -9.736 -2.157
100 HB3 CYS 16 HB3 CYS 16 3.939 -10.896 -2.648
101 H CYS 17 H CYS 17 4.439 -9.098 -5.224
102 HA CYS 17 HA CYS 17 2.304 -10.668 -6.228
103 HB2 CYS 17 HB2 CYS 17 3.161 -7.901 -6.350
104 HB3 CYS 17 HB3 CYS 17 2.554 -8.447 -7.910
105 HN1 NH2 18 H1 NH2 18 1.844 -11.124 -8.483
106 HN2 NH2 18 H2 NH2 18 3.085 -11.544 -9.579
Start of MODEL 11
1 H1 ASP 1 H ASP 1 2.711 1.459 0.429
2 HA ASP 1 HA ASP 1 1.081 -0.272 -1.096
3 HB2 ASP 1 HB2 ASP 1 1.991 1.935 -1.870
4 HB3 ASP 1 HB3 ASP 1 3.570 1.170 -2.026
5 H CYS 2 H CYS 2 1.326 -2.412 -1.063
6 HA CYS 2 HA CYS 2 3.747 -3.593 -2.036
7 HB2 CYS 2 HB2 CYS 2 3.775 -5.148 0.099
8 HB3 CYS 2 HB3 CYS 2 4.653 -3.623 0.080
9 H CYS 3 H CYS 3 3.466 -6.175 -1.518
10 HA CYS 3 HA CYS 3 0.673 -6.846 -2.164
11 HB2 CYS 3 HB2 CYS 3 2.270 -6.841 -4.161
12 HB3 CYS 3 HB3 CYS 3 3.036 -8.239 -3.415
13 HA HYP 4 HA HYP 4 2.199 -8.051 1.571
14 HB2 HYP 4 HB2 HYP 4 0.444 -7.741 3.062
15 HB3 HYP 4 HB3 HYP 4 -0.628 -8.842 2.187
16 HG HYP 4 HG HYP 4 -1.476 -6.802 1.418
17 HD22 HYP 4 HD2 HYP 4 -0.893 -7.420 -0.744
18 HD23 HYP 4 HD3 HYP 4 0.446 -6.282 -0.577
19 HD1 HYP 4 HOD HYP 4 0.942 -5.562 1.125
20 H CYS 5 H CYS 5 3.450 -9.780 1.793
21 HA CYS 5 HA CYS 5 2.289 -12.463 1.686
22 HB2 CYS 5 HB2 CYS 5 5.025 -11.335 1.386
23 HB3 CYS 5 HB3 CYS 5 4.893 -12.959 2.055
24 HA HYP 6 HA HYP 6 1.344 -13.372 5.154
25 HB2 HYP 6 HB2 HYP 6 1.376 -15.678 5.443
26 HB3 HYP 6 HB3 HYP 6 3.142 -15.750 5.487
27 HG HYP 6 HG HYP 6 2.793 -16.454 3.284
28 HD22 HYP 6 HD2 HYP 6 3.988 -14.605 2.544
29 HD23 HYP 6 HD3 HYP 6 2.422 -13.924 2.097
30 HD1 HYP 6 HOD HYP 6 0.782 -14.689 2.720
31 H ALA 7 H ALA 7 4.537 -12.602 5.501
32 HA ALA 7 HA ALA 7 4.805 -13.114 8.331
33 HB1 ALA 7 HB1 ALA 7 6.676 -13.002 6.538
34 HB2 ALA 7 HB2 ALA 7 6.589 -11.261 6.809
35 HB3 ALA 7 HB3 ALA 7 6.976 -12.343 8.146
36 H GLY 8 H GLY 8 4.257 -10.295 6.246
37 HA2 GLY 8 HA2 GLY 8 2.965 -8.419 6.802
38 HA3 GLY 8 HA3 GLY 8 2.986 -8.930 8.484
39 H ALA 9 H ALA 9 5.904 -9.270 8.503
40 HA ALA 9 HA ALA 9 6.601 -6.630 9.294
41 HB1 ALA 9 HB1 ALA 9 8.224 -9.145 8.981
42 HB2 ALA 9 HB2 ALA 9 8.895 -7.626 9.577
43 HB3 ALA 9 HB3 ALA 9 7.604 -8.429 10.469
44 H VAL 10 H VAL 10 8.606 -8.568 7.118
45 HA VAL 10 HA VAL 10 8.955 -6.177 5.439
46 HB VAL 10 HB VAL 10 10.760 -8.593 5.541
47 HG11 VAL 10 HG11 VAL 10 10.607 -6.311 3.839
48 HG12 VAL 10 HG12 VAL 10 12.097 -6.221 4.782
49 HG13 VAL 10 HG13 VAL 10 11.758 -7.647 3.799
50 HG21 VAL 10 HG21 VAL 10 12.243 -7.286 6.961
51 HG22 VAL 10 HG22 VAL 10 11.078 -5.962 6.985
52 HG23 VAL 10 HG23 VAL 10 10.675 -7.505 7.739
53 H ARG 11 H ARG 11 7.447 -9.163 5.498
54 HA ARG 11 HA ARG 11 7.801 -10.057 2.846
55 HB2 ARG 11 HB2 ARG 11 5.906 -10.613 5.057
56 HB3 ARG 11 HB3 ARG 11 5.358 -11.020 3.437
57 HG2 ARG 11 HG2 ARG 11 7.882 -12.009 4.749
58 HG3 ARG 11 HG3 ARG 11 6.393 -12.929 4.527
59 HD2 ARG 11 HD2 ARG 11 7.061 -11.917 1.999
60 HD3 ARG 11 HD3 ARG 11 8.569 -12.506 2.697
61 HE ARG 11 HE ARG 11 6.431 -14.084 1.718
62 HH11 ARG 11 HH11 ARG 11 8.818 -13.955 4.249
63 HH12 ARG 11 HH12 ARG 11 8.886 -15.675 4.451
64 HH21 ARG 11 HH21 ARG 11 6.511 -16.349 1.975
65 HH22 ARG 11 HH22 ARG 11 7.574 -17.035 3.157
66 H CYS 12 H CYS 12 6.207 -7.350 4.067
67 HA CYS 12 HA CYS 12 4.132 -7.187 2.083
68 HB2 CYS 12 HB2 CYS 12 4.212 -6.114 4.457
69 HB3 CYS 12 HB3 CYS 12 5.130 -4.837 3.664
70 H ARG 13 H ARG 13 5.635 -7.553 0.256
71 HA ARG 13 HA ARG 13 6.684 -4.981 -0.703
72 HB2 ARG 13 HB2 ARG 13 8.055 -7.655 -1.043
73 HB3 ARG 13 HB3 ARG 13 8.599 -6.125 -1.719
74 HG2 ARG 13 HG2 ARG 13 9.250 -5.296 0.347
75 HG3 ARG 13 HG3 ARG 13 8.244 -6.444 1.232
76 HD2 ARG 13 HD2 ARG 13 10.580 -7.056 1.431
77 HD3 ARG 13 HD3 ARG 13 9.711 -8.272 0.494
78 HE ARG 13 HE ARG 13 10.776 -6.473 -1.323
79 HH11 ARG 13 HH11 ARG 13 11.944 -8.710 1.075
80 HH12 ARG 13 HH12 ARG 13 13.431 -9.026 0.245
81 HH21 ARG 13 HH21 ARG 13 12.730 -6.881 -2.426
82 HH22 ARG 13 HH22 ARG 13 13.878 -7.984 -1.746
83 H PHE 14 H PHE 14 6.553 -4.642 -2.935
84 HA PHE 14 HA PHE 14 4.338 -5.808 -4.223
85 HB2 PHE 14 HB2 PHE 14 5.122 -3.538 -4.731
86 HB3 PHE 14 HB3 PHE 14 6.606 -4.196 -5.412
87 HD1 PHE 14 HD1 PHE 14 6.675 -5.062 -7.617
88 HD2 PHE 14 HD2 PHE 14 2.965 -3.913 -5.876
89 HE1 PHE 14 HE1 PHE 14 5.594 -5.223 -9.821
90 HE2 PHE 14 HE2 PHE 14 1.878 -4.073 -8.077
91 HZ PHE 14 HZ PHE 14 3.192 -4.729 -10.053
92 H ALA 15 H ALA 15 7.725 -6.595 -4.207
93 HA ALA 15 HA ALA 15 8.011 -8.054 -6.536
94 HB1 ALA 15 HB1 ALA 15 9.832 -7.514 -4.945
95 HB2 ALA 15 HB2 ALA 15 9.219 -8.769 -3.868
96 HB3 ALA 15 HB3 ALA 15 9.834 -9.200 -5.463
97 H CYS 16 H CYS 16 6.458 -8.963 -3.522
98 HA CYS 16 HA CYS 16 6.251 -11.717 -3.903
99 HB2 CYS 16 HB2 CYS 16 5.058 -9.719 -2.183
100 HB3 CYS 16 HB3 CYS 16 3.867 -10.926 -2.655
101 H CYS 17 H CYS 17 4.372 -9.077 -5.233
102 HA CYS 17 HA CYS 17 2.243 -10.654 -6.254
103 HB2 CYS 17 HB2 CYS 17 3.073 -7.873 -6.334
104 HB3 CYS 17 HB3 CYS 17 2.454 -8.404 -7.895
105 HN1 NH2 18 H1 NH2 18 4.910 -9.034 -7.991
106 HN2 NH2 18 H2 NH2 18 5.046 -10.145 -9.280
Start of MODEL 12
1 H1 ASP 1 H ASP 1 3.736 0.804 0.373
2 HA ASP 1 HA ASP 1 1.370 -0.290 -0.973
3 HB2 ASP 1 HB2 ASP 1 3.560 1.355 -2.221
4 HB3 ASP 1 HB3 ASP 1 2.622 0.209 -3.174
5 H CYS 2 H CYS 2 1.563 -2.414 -1.142
6 HA CYS 2 HA CYS 2 3.970 -3.657 -2.072
7 HB2 CYS 2 HB2 CYS 2 3.928 -5.201 0.070
8 HB3 CYS 2 HB3 CYS 2 4.843 -3.697 0.058
9 H CYS 3 H CYS 3 3.619 -6.229 -1.545
10 HA CYS 3 HA CYS 3 0.821 -6.836 -2.232
11 HB2 CYS 3 HB2 CYS 3 2.470 -6.880 -4.197
12 HB3 CYS 3 HB3 CYS 3 3.157 -8.311 -3.435
13 HA HYP 4 HA HYP 4 2.259 -8.057 1.533
14 HB2 HYP 4 HB2 HYP 4 0.488 -7.698 2.994
15 HB3 HYP 4 HB3 HYP 4 -0.596 -8.778 2.108
16 HG HYP 4 HG HYP 4 -1.384 -6.723 1.315
17 HD22 HYP 4 HD2 HYP 4 -0.781 -7.365 -0.835
18 HD23 HYP 4 HD3 HYP 4 0.582 -6.259 -0.651
19 HD1 HYP 4 HOD HYP 4 1.068 -5.542 1.055
20 H CYS 5 H CYS 5 3.466 -9.817 1.767
21 HA CYS 5 HA CYS 5 2.243 -12.471 1.660
22 HB2 CYS 5 HB2 CYS 5 5.006 -11.408 1.390
23 HB3 CYS 5 HB3 CYS 5 4.833 -13.021 2.074
24 HA HYP 6 HA HYP 6 1.228 -13.346 5.117
25 HB2 HYP 6 HB2 HYP 6 1.206 -15.650 5.416
26 HB3 HYP 6 HB3 HYP 6 2.969 -15.760 5.488
27 HG HYP 6 HG HYP 6 2.638 -16.467 3.282
28 HD22 HYP 6 HD2 HYP 6 3.884 -14.647 2.553
29 HD23 HYP 6 HD3 HYP 6 2.340 -13.935 2.079
30 HD1 HYP 6 HOD HYP 6 0.675 -14.661 2.681
31 H ALA 7 H ALA 7 4.431 -12.640 5.509
32 HA ALA 7 HA ALA 7 4.643 -13.145 8.346
33 HB1 ALA 7 HB1 ALA 7 6.545 -13.088 6.583
34 HB2 ALA 7 HB2 ALA 7 6.495 -11.344 6.841
35 HB3 ALA 7 HB3 ALA 7 6.835 -12.426 8.191
36 H GLY 8 H GLY 8 4.195 -10.326 6.237
37 HA2 GLY 8 HA2 GLY 8 2.937 -8.418 6.763
38 HA3 GLY 8 HA3 GLY 8 2.923 -8.919 8.448
39 H ALA 9 H ALA 9 5.831 -9.325 8.510
40 HA ALA 9 HA ALA 9 6.577 -6.694 9.291
41 HB1 ALA 9 HB1 ALA 9 8.910 -7.865 9.419
42 HB2 ALA 9 HB2 ALA 9 7.634 -8.296 10.558
43 HB3 ALA 9 HB3 ALA 9 7.964 -9.333 9.170
44 H VAL 10 H VAL 10 8.574 -8.698 7.168
45 HA VAL 10 HA VAL 10 9.012 -6.332 5.476
46 HB VAL 10 HB VAL 10 10.741 -8.801 5.626
47 HG11 VAL 10 HG11 VAL 10 12.431 -7.175 4.667
48 HG12 VAL 10 HG12 VAL 10 11.122 -7.665 3.589
49 HG13 VAL 10 HG13 VAL 10 11.075 -6.086 4.374
50 HG21 VAL 10 HG21 VAL 10 10.657 -7.675 7.806
51 HG22 VAL 10 HG22 VAL 10 12.244 -7.526 7.052
52 HG23 VAL 10 HG23 VAL 10 11.128 -6.161 7.035
53 H ARG 11 H ARG 11 7.431 -9.287 5.531
54 HA ARG 11 HA ARG 11 7.791 -10.200 2.888
55 HB2 ARG 11 HB2 ARG 11 5.853 -10.693 5.077
56 HB3 ARG 11 HB3 ARG 11 5.316 -11.095 3.452
57 HG2 ARG 11 HG2 ARG 11 7.794 -12.143 4.804
58 HG3 ARG 11 HG3 ARG 11 6.285 -13.025 4.564
59 HD2 ARG 11 HD2 ARG 11 7.013 -12.045 2.042
60 HD3 ARG 11 HD3 ARG 11 8.498 -12.662 2.764
61 HE ARG 11 HE ARG 11 6.338 -14.199 1.767
62 HH11 ARG 11 HH11 ARG 11 8.699 -14.108 4.323
63 HH12 ARG 11 HH12 ARG 11 8.728 -15.827 4.536
64 HH21 ARG 11 HH21 ARG 11 6.367 -16.464 2.037
65 HH22 ARG 11 HH22 ARG 11 7.402 -17.166 3.234
66 H CYS 12 H CYS 12 6.245 -7.449 4.080
67 HA CYS 12 HA CYS 12 4.206 -7.241 2.063
68 HB2 CYS 12 HB2 CYS 12 4.273 -6.165 4.435
69 HB3 CYS 12 HB3 CYS 12 5.234 -4.913 3.656
70 H ARG 13 H ARG 13 5.735 -7.649 0.264
71 HA ARG 13 HA ARG 13 6.858 -5.104 -0.684
72 HB2 ARG 13 HB2 ARG 13 8.170 -7.816 -0.943
73 HB3 ARG 13 HB3 ARG 13 8.746 -6.335 -1.697
74 HG2 ARG 13 HG2 ARG 13 9.326 -5.383 0.376
75 HG3 ARG 13 HG3 ARG 13 8.424 -6.605 1.275
76 HD2 ARG 13 HD2 ARG 13 10.922 -6.891 1.272
77 HD3 ARG 13 HD3 ARG 13 9.999 -8.292 0.731
78 HE ARG 13 HE ARG 13 10.910 -8.052 -1.364
79 HH11 ARG 13 HH11 ARG 13 11.569 -5.206 0.530
80 HH12 ARG 13 HH12 ARG 13 12.678 -4.538 -0.622
81 HH21 ARG 13 HH21 ARG 13 12.367 -7.182 -2.888
82 HH22 ARG 13 HH22 ARG 13 13.130 -5.662 -2.566
83 H PHE 14 H PHE 14 6.778 -4.771 -2.922
84 HA PHE 14 HA PHE 14 4.556 -5.887 -4.243
85 HB2 PHE 14 HB2 PHE 14 5.578 -3.616 -4.668
86 HB3 PHE 14 HB3 PHE 14 6.857 -4.437 -5.557
87 HD1 PHE 14 HD1 PHE 14 3.213 -3.815 -5.477
88 HD2 PHE 14 HD2 PHE 14 6.548 -5.104 -7.786
89 HE1 PHE 14 HE1 PHE 14 1.821 -3.770 -7.506
90 HE2 PHE 14 HE2 PHE 14 5.163 -5.060 -9.818
91 HZ PHE 14 HZ PHE 14 2.796 -4.392 -9.680
92 H ALA 15 H ALA 15 7.917 -6.763 -4.154
93 HA ALA 15 HA ALA 15 8.207 -8.233 -6.480
94 HB1 ALA 15 HB1 ALA 15 9.582 -9.690 -4.548
95 HB2 ALA 15 HB2 ALA 15 10.217 -8.380 -5.544
96 HB3 ALA 15 HB3 ALA 15 9.566 -8.033 -3.943
97 H CYS 16 H CYS 16 6.589 -9.092 -3.487
98 HA CYS 16 HA CYS 16 6.326 -11.843 -3.863
99 HB2 CYS 16 HB2 CYS 16 5.182 -9.822 -2.147
100 HB3 CYS 16 HB3 CYS 16 3.947 -10.974 -2.644
101 H CYS 17 H CYS 17 4.530 -9.163 -5.223
102 HA CYS 17 HA CYS 17 2.366 -10.679 -6.254
103 HB2 CYS 17 HB2 CYS 17 3.280 -7.931 -6.342
104 HB3 CYS 17 HB3 CYS 17 2.692 -8.451 -7.918
105 HN1 NH2 18 H1 NH2 18 1.941 -11.259 -8.441
106 HN2 NH2 18 H2 NH2 18 3.179 -11.646 -9.552
Start of MODEL 13
1 H1 ASP 1 H ASP 1 3.768 0.790 0.518
2 HA ASP 1 HA ASP 1 1.404 -0.092 -0.934
3 HB2 ASP 1 HB2 ASP 1 2.175 1.979 -2.086
4 HB3 ASP 1 HB3 ASP 1 3.731 1.202 -2.369
5 H CYS 2 H CYS 2 1.551 -2.218 -1.116
6 HA CYS 2 HA CYS 2 3.921 -3.502 -2.083
7 HB2 CYS 2 HB2 CYS 2 3.869 -5.068 0.044
8 HB3 CYS 2 HB3 CYS 2 4.813 -3.582 0.038
9 H CYS 3 H CYS 3 3.519 -6.073 -1.574
10 HA CYS 3 HA CYS 3 0.702 -6.612 -2.238
11 HB2 CYS 3 HB2 CYS 3 3.144 -7.261 -3.765
12 HB3 CYS 3 HB3 CYS 3 1.994 -8.583 -3.594
13 HA HYP 4 HA HYP 4 2.150 -7.903 1.498
14 HB2 HYP 4 HB2 HYP 4 0.401 -7.522 2.980
15 HB3 HYP 4 HB3 HYP 4 -0.713 -8.571 2.093
16 HG HYP 4 HG HYP 4 -1.466 -6.492 1.329
17 HD22 HYP 4 HD2 HYP 4 -0.897 -7.124 -0.832
18 HD23 HYP 4 HD3 HYP 4 0.490 -6.048 -0.651
19 HD1 HYP 4 HOD HYP 4 1.007 -5.359 1.058
20 H CYS 5 H CYS 5 3.334 -9.703 1.612
21 HA CYS 5 HA CYS 5 2.061 -12.326 1.506
22 HB2 CYS 5 HB2 CYS 5 4.774 -11.278 1.098
23 HB3 CYS 5 HB3 CYS 5 4.722 -12.793 1.993
24 HA HYP 6 HA HYP 6 1.081 -13.343 4.927
25 HB2 HYP 6 HB2 HYP 6 1.139 -15.652 5.183
26 HB3 HYP 6 HB3 HYP 6 2.905 -15.701 5.269
27 HG HYP 6 HG HYP 6 2.619 -16.375 3.047
28 HD22 HYP 6 HD2 HYP 6 3.806 -14.499 2.366
29 HD23 HYP 6 HD3 HYP 6 2.242 -13.833 1.890
30 HD1 HYP 6 HOD HYP 6 0.598 -14.629 2.461
31 H ALA 7 H ALA 7 4.441 -12.968 5.388
32 HA ALA 7 HA ALA 7 4.581 -13.382 8.196
33 HB1 ALA 7 HB1 ALA 7 6.401 -11.556 6.660
34 HB2 ALA 7 HB2 ALA 7 6.761 -12.541 8.078
35 HB3 ALA 7 HB3 ALA 7 6.503 -13.311 6.513
36 H GLY 8 H GLY 8 4.102 -10.506 6.173
37 HA2 GLY 8 HA2 GLY 8 2.858 -8.611 6.743
38 HA3 GLY 8 HA3 GLY 8 2.789 -9.182 8.403
39 H ALA 9 H ALA 9 5.696 -9.595 8.538
40 HA ALA 9 HA ALA 9 6.422 -7.032 9.499
41 HB1 ALA 9 HB1 ALA 9 8.726 -8.103 9.680
42 HB2 ALA 9 HB2 ALA 9 7.416 -8.862 10.584
43 HB3 ALA 9 HB3 ALA 9 7.967 -9.571 9.066
44 H VAL 10 H VAL 10 8.404 -8.844 7.189
45 HA VAL 10 HA VAL 10 8.765 -6.345 5.670
46 HB VAL 10 HB VAL 10 10.800 -7.279 6.813
47 HG11 VAL 10 HG11 VAL 10 10.923 -9.358 4.676
48 HG12 VAL 10 HG12 VAL 10 11.739 -9.301 6.239
49 HG13 VAL 10 HG13 VAL 10 10.021 -9.688 6.154
50 HG21 VAL 10 HG21 VAL 10 11.119 -7.308 3.826
51 HG22 VAL 10 HG22 VAL 10 10.759 -5.826 4.712
52 HG23 VAL 10 HG23 VAL 10 12.244 -6.716 5.049
53 H ARG 11 H ARG 11 7.202 -9.225 5.538
54 HA ARG 11 HA ARG 11 7.755 -10.076 2.880
55 HB2 ARG 11 HB2 ARG 11 5.749 -10.728 4.970
56 HB3 ARG 11 HB3 ARG 11 5.319 -11.112 3.309
57 HG2 ARG 11 HG2 ARG 11 7.849 -12.030 4.655
58 HG3 ARG 11 HG3 ARG 11 6.369 -12.985 4.550
59 HD2 ARG 11 HD2 ARG 11 7.415 -13.786 2.701
60 HD3 ARG 11 HD3 ARG 11 6.640 -12.380 1.972
61 HE ARG 11 HE ARG 11 8.706 -11.403 1.717
62 HH11 ARG 11 HH11 ARG 11 8.972 -14.194 3.780
63 HH12 ARG 11 HH12 ARG 11 10.705 -14.198 3.771
64 HH21 ARG 11 HH21 ARG 11 10.987 -11.398 1.696
65 HH22 ARG 11 HH22 ARG 11 11.850 -12.607 2.586
66 H CYS 12 H CYS 12 6.209 -7.368 4.039
67 HA CYS 12 HA CYS 12 4.134 -7.176 2.052
68 HB2 CYS 12 HB2 CYS 12 4.189 -6.095 4.405
69 HB3 CYS 12 HB3 CYS 12 5.196 -4.862 3.653
70 H ARG 13 H ARG 13 5.580 -7.568 0.209
71 HA ARG 13 HA ARG 13 6.720 -5.038 -0.750
72 HB2 ARG 13 HB2 ARG 13 8.088 -7.632 -0.416
73 HB3 ARG 13 HB3 ARG 13 8.351 -6.838 -1.963
74 HG2 ARG 13 HG2 ARG 13 9.638 -5.238 -1.068
75 HG3 ARG 13 HG3 ARG 13 8.629 -5.090 0.373
76 HD2 ARG 13 HD2 ARG 13 10.807 -5.905 1.005
77 HD3 ARG 13 HD3 ARG 13 9.616 -7.185 1.233
78 HE ARG 13 HE ARG 13 10.601 -7.629 -1.266
79 HH11 ARG 13 HH11 ARG 13 12.017 -7.282 1.895
80 HH12 ARG 13 HH12 ARG 13 13.356 -8.327 1.553
81 HH21 ARG 13 HH21 ARG 13 12.359 -9.006 -1.729
82 HH22 ARG 13 HH22 ARG 13 13.550 -9.307 -0.509
83 H PHE 14 H PHE 14 6.639 -4.728 -3.002
84 HA PHE 14 HA PHE 14 4.374 -5.803 -4.282
85 HB2 PHE 14 HB2 PHE 14 5.472 -3.565 -4.742
86 HB3 PHE 14 HB3 PHE 14 6.691 -4.442 -5.661
87 HD1 PHE 14 HD1 PHE 14 3.213 -3.336 -5.564
88 HD2 PHE 14 HD2 PHE 14 6.155 -5.459 -7.788
89 HE1 PHE 14 HE1 PHE 14 1.764 -3.255 -7.551
90 HE2 PHE 14 HE2 PHE 14 4.712 -5.381 -9.779
91 HZ PHE 14 HZ PHE 14 2.514 -4.277 -9.662
92 H ALA 15 H ALA 15 7.712 -6.766 -4.224
93 HA ALA 15 HA ALA 15 7.841 -8.315 -6.547
94 HB1 ALA 15 HB1 ALA 15 9.278 -9.327 -4.173
95 HB2 ALA 15 HB2 ALA 15 9.868 -8.982 -5.799
96 HB3 ALA 15 HB3 ALA 15 9.620 -7.665 -4.653
97 H CYS 16 H CYS 16 6.507 -9.016 -3.380
98 HA CYS 16 HA CYS 16 6.279 -11.777 -3.509
99 HB2 CYS 16 HB2 CYS 16 5.749 -10.709 -1.456
100 HB3 CYS 16 HB3 CYS 16 4.531 -9.689 -2.215
101 H CYS 17 H CYS 17 4.288 -9.282 -4.977
102 HA CYS 17 HA CYS 17 2.118 -10.875 -5.761
103 HB2 CYS 17 HB2 CYS 17 3.111 -8.207 -6.313
104 HB3 CYS 17 HB3 CYS 17 2.430 -8.944 -7.760
105 HN1 NH2 18 H1 NH2 18 2.075 -12.559 -7.081
106 HN2 NH2 18 H2 NH2 18 3.081 -12.873 -8.424
Start of MODEL 14
1 H1 ASP 1 H ASP 1 3.934 1.041 -0.003
2 HA ASP 1 HA ASP 1 1.344 -0.113 -0.419
3 HB2 ASP 1 HB2 ASP 1 1.466 1.663 -2.197
4 HB3 ASP 1 HB3 ASP 1 2.841 0.799 -2.881
5 H CYS 2 H CYS 2 1.445 -2.264 -1.043
6 HA CYS 2 HA CYS 2 3.864 -3.464 -1.995
7 HB2 CYS 2 HB2 CYS 2 3.870 -5.029 0.125
8 HB3 CYS 2 HB3 CYS 2 4.743 -3.500 0.137
9 H CYS 3 H CYS 3 3.554 -6.045 -1.497
10 HA CYS 3 HA CYS 3 0.760 -6.686 -2.168
11 HB2 CYS 3 HB2 CYS 3 2.270 -6.685 -4.183
12 HB3 CYS 3 HB3 CYS 3 3.169 -8.000 -3.434
13 HA HYP 4 HA HYP 4 2.234 -7.935 1.568
14 HB2 HYP 4 HB2 HYP 4 0.461 -7.635 3.039
15 HB3 HYP 4 HB3 HYP 4 -0.602 -8.726 2.141
16 HG HYP 4 HG HYP 4 -1.436 -6.677 1.380
17 HD22 HYP 4 HD2 HYP 4 -0.827 -7.276 -0.780
18 HD23 HYP 4 HD3 HYP 4 0.513 -6.143 -0.585
19 HD1 HYP 4 HOD HYP 4 0.989 -5.440 1.129
20 H CYS 5 H CYS 5 3.491 -9.683 1.697
21 HA CYS 5 HA CYS 5 2.332 -12.358 1.564
22 HB2 CYS 5 HB2 CYS 5 5.000 -11.193 1.186
23 HB3 CYS 5 HB3 CYS 5 5.007 -12.709 2.081
24 HA HYP 6 HA HYP 6 1.359 -13.429 4.971
25 HB2 HYP 6 HB2 HYP 6 1.510 -15.735 5.218
26 HB3 HYP 6 HB3 HYP 6 3.276 -15.709 5.324
27 HG HYP 6 HG HYP 6 3.042 -16.386 3.096
28 HD22 HYP 6 HD2 HYP 6 4.157 -14.458 2.435
29 HD23 HYP 6 HD3 HYP 6 2.572 -13.857 1.945
30 HD1 HYP 6 HOD HYP 6 0.957 -14.724 2.495
31 H ALA 7 H ALA 7 4.494 -12.495 5.446
32 HA ALA 7 HA ALA 7 4.638 -13.021 8.293
33 HB1 ALA 7 HB1 ALA 7 6.491 -11.170 6.853
34 HB2 ALA 7 HB2 ALA 7 6.812 -12.242 8.216
35 HB3 ALA 7 HB3 ALA 7 6.602 -12.911 6.598
36 H GLY 8 H GLY 8 4.181 -10.227 6.153
37 HA2 GLY 8 HA2 GLY 8 2.851 -8.355 6.622
38 HA3 GLY 8 HA3 GLY 8 2.789 -8.848 8.308
39 H ALA 9 H ALA 9 5.695 -9.166 8.499
40 HA ALA 9 HA ALA 9 6.333 -6.503 9.273
41 HB1 ALA 9 HB1 ALA 9 7.815 -9.097 9.246
42 HB2 ALA 9 HB2 ALA 9 8.676 -7.590 9.563
43 HB3 ALA 9 HB3 ALA 9 7.348 -8.085 10.613
44 H VAL 10 H VAL 10 8.461 -8.501 7.271
45 HA VAL 10 HA VAL 10 8.957 -6.144 5.584
46 HB VAL 10 HB VAL 10 10.669 -8.619 5.824
47 HG11 VAL 10 HG11 VAL 10 11.743 -7.775 4.075
48 HG12 VAL 10 HG12 VAL 10 10.687 -6.361 4.062
49 HG13 VAL 10 HG13 VAL 10 12.151 -6.361 5.046
50 HG21 VAL 10 HG21 VAL 10 12.120 -7.347 7.283
51 HG22 VAL 10 HG22 VAL 10 11.054 -5.947 7.171
52 HG23 VAL 10 HG23 VAL 10 10.499 -7.416 7.973
53 H ARG 11 H ARG 11 7.388 -9.113 5.582
54 HA ARG 11 HA ARG 11 7.836 -9.978 2.927
55 HB2 ARG 11 HB2 ARG 11 5.863 -10.574 5.067
56 HB3 ARG 11 HB3 ARG 11 5.409 -10.996 3.422
57 HG2 ARG 11 HG2 ARG 11 7.874 -11.930 4.876
58 HG3 ARG 11 HG3 ARG 11 6.424 -12.883 4.554
59 HD2 ARG 11 HD2 ARG 11 7.336 -11.763 2.102
60 HD3 ARG 11 HD3 ARG 11 8.705 -12.524 2.910
61 HE ARG 11 HE ARG 11 6.321 -14.142 2.818
62 HH11 ARG 11 HH11 ARG 11 9.273 -13.251 1.203
63 HH12 ARG 11 HH12 ARG 11 9.363 -14.714 0.279
64 HH21 ARG 11 HH21 ARG 11 6.427 -16.072 1.606
65 HH22 ARG 11 HH22 ARG 11 7.743 -16.317 0.508
66 H CYS 12 H CYS 12 6.213 -7.293 4.135
67 HA CYS 12 HA CYS 12 4.169 -7.120 2.119
68 HB2 CYS 12 HB2 CYS 12 4.181 -6.071 4.494
69 HB3 CYS 12 HB3 CYS 12 5.142 -4.794 3.754
70 H ARG 13 H ARG 13 5.703 -7.467 0.314
71 HA ARG 13 HA ARG 13 6.759 -4.885 -0.608
72 HB2 ARG 13 HB2 ARG 13 8.175 -7.466 -1.223
73 HB3 ARG 13 HB3 ARG 13 8.774 -5.820 -1.382
74 HG2 ARG 13 HG2 ARG 13 8.720 -5.631 1.100
75 HG3 ARG 13 HG3 ARG 13 8.305 -7.346 1.167
76 HD2 ARG 13 HD2 ARG 13 10.828 -6.088 0.115
77 HD3 ARG 13 HD3 ARG 13 10.654 -7.181 1.487
78 HE ARG 13 HE ARG 13 9.732 -8.550 -0.732
79 HH11 ARG 13 HH11 ARG 13 12.716 -7.114 0.340
80 HH12 ARG 13 HH12 ARG 13 13.717 -8.229 -0.529
81 HH21 ARG 13 HH21 ARG 13 11.039 -10.025 -1.881
82 HH22 ARG 13 HH22 ARG 13 12.762 -9.884 -1.793
83 H PHE 14 H PHE 14 6.719 -4.561 -2.860
84 HA PHE 14 HA PHE 14 4.512 -5.691 -4.194
85 HB2 PHE 14 HB2 PHE 14 5.489 -3.424 -4.641
86 HB3 PHE 14 HB3 PHE 14 6.830 -4.219 -5.459
87 HD1 PHE 14 HD1 PHE 14 3.143 -3.827 -5.537
88 HD2 PHE 14 HD2 PHE 14 6.673 -4.793 -7.709
89 HE1 PHE 14 HE1 PHE 14 1.847 -3.845 -7.629
90 HE2 PHE 14 HE2 PHE 14 5.384 -4.812 -9.804
91 HZ PHE 14 HZ PHE 14 2.968 -4.337 -9.766
92 H ALA 15 H ALA 15 7.865 -6.576 -4.055
93 HA ALA 15 HA ALA 15 8.085 -8.101 -6.391
94 HB1 ALA 15 HB1 ALA 15 9.912 -7.391 -4.742
95 HB2 ALA 15 HB2 ALA 15 9.468 -8.835 -3.832
96 HB3 ALA 15 HB3 ALA 15 10.052 -8.982 -5.490
97 H CYS 16 H CYS 16 6.737 -8.867 -3.241
98 HA CYS 16 HA CYS 16 6.583 -11.625 -3.378
99 HB2 CYS 16 HB2 CYS 16 5.964 -10.549 -1.347
100 HB3 CYS 16 HB3 CYS 16 4.713 -9.602 -2.147
101 H CYS 17 H CYS 17 4.598 -9.201 -4.951
102 HA CYS 17 HA CYS 17 2.494 -10.876 -5.783
103 HB2 CYS 17 HB2 CYS 17 3.368 -8.164 -6.258
104 HB3 CYS 17 HB3 CYS 17 2.821 -8.905 -7.759
105 HN1 NH2 18 H1 NH2 18 2.579 -12.565 -7.096
106 HN2 NH2 18 H2 NH2 18 3.630 -12.822 -8.417
Start of MODEL 15
1 H1 ASP 1 H ASP 1 3.802 0.918 0.010
2 HA ASP 1 HA ASP 1 1.237 -0.249 -0.562
3 HB2 ASP 1 HB2 ASP 1 2.861 0.964 -2.808
4 HB3 ASP 1 HB3 ASP 1 1.503 -0.135 -3.038
5 H CYS 2 H CYS 2 1.391 -2.392 -1.061
6 HA CYS 2 HA CYS 2 3.825 -3.572 -2.020
7 HB2 CYS 2 HB2 CYS 2 3.802 -5.130 0.121
8 HB3 CYS 2 HB3 CYS 2 4.704 -3.618 0.102
9 H CYS 3 H CYS 3 3.532 -6.155 -1.503
10 HA CYS 3 HA CYS 3 0.751 -6.821 -2.202
11 HB2 CYS 3 HB2 CYS 3 3.260 -7.427 -3.660
12 HB3 CYS 3 HB3 CYS 3 2.093 -8.740 -3.541
13 HA HYP 4 HA HYP 4 2.218 -8.020 1.564
14 HB2 HYP 4 HB2 HYP 4 0.446 -7.689 3.031
15 HB3 HYP 4 HB3 HYP 4 -0.624 -8.784 2.146
16 HG HYP 4 HG HYP 4 -1.444 -6.740 1.358
17 HD22 HYP 4 HD2 HYP 4 -0.837 -7.370 -0.794
18 HD23 HYP 4 HD3 HYP 4 0.510 -6.244 -0.612
19 HD1 HYP 4 HOD HYP 4 0.990 -5.522 1.094
20 H CYS 5 H CYS 5 3.434 -9.746 1.895
21 HA CYS 5 HA CYS 5 2.248 -12.424 1.764
22 HB2 CYS 5 HB2 CYS 5 5.008 -11.338 1.487
23 HB3 CYS 5 HB3 CYS 5 4.835 -12.964 2.140
24 HA HYP 6 HA HYP 6 1.268 -13.274 5.238
25 HB2 HYP 6 HB2 HYP 6 1.257 -15.577 5.551
26 HB3 HYP 6 HB3 HYP 6 3.021 -15.681 5.604
27 HG HYP 6 HG HYP 6 2.668 -16.402 3.406
28 HD22 HYP 6 HD2 HYP 6 3.901 -14.582 2.653
29 HD23 HYP 6 HD3 HYP 6 2.350 -13.878 2.192
30 HD1 HYP 6 HOD HYP 6 0.693 -14.606 2.816
31 H ALA 7 H ALA 7 4.471 -12.553 5.591
32 HA ALA 7 HA ALA 7 4.723 -13.045 8.426
33 HB1 ALA 7 HB1 ALA 7 6.535 -11.229 6.889
34 HB2 ALA 7 HB2 ALA 7 6.905 -12.299 8.242
35 HB3 ALA 7 HB3 ALA 7 6.603 -12.974 6.641
36 H GLY 8 H GLY 8 4.219 -10.235 6.318
37 HA2 GLY 8 HA2 GLY 8 2.950 -8.338 6.856
38 HA3 GLY 8 HA3 GLY 8 2.961 -8.836 8.541
39 H ALA 9 H ALA 9 5.873 -9.214 8.573
40 HA ALA 9 HA ALA 9 6.604 -6.581 9.350
41 HB1 ALA 9 HB1 ALA 9 7.656 -8.256 10.570
42 HB2 ALA 9 HB2 ALA 9 8.085 -9.175 9.127
43 HB3 ALA 9 HB3 ALA 9 8.933 -7.675 9.502
44 H VAL 10 H VAL 10 8.591 -8.543 7.180
45 HA VAL 10 HA VAL 10 8.950 -6.164 5.486
46 HB VAL 10 HB VAL 10 10.754 -8.579 5.609
47 HG11 VAL 10 HG11 VAL 10 12.384 -6.882 4.655
48 HG12 VAL 10 HG12 VAL 10 11.093 -7.425 3.581
49 HG13 VAL 10 HG13 VAL 10 10.983 -5.850 4.368
50 HG21 VAL 10 HG21 VAL 10 12.232 -7.267 7.028
51 HG22 VAL 10 HG22 VAL 10 11.070 -5.940 7.039
52 HG23 VAL 10 HG23 VAL 10 10.661 -7.478 7.801
53 H ARG 11 H ARG 11 7.417 -9.128 5.565
54 HA ARG 11 HA ARG 11 7.785 -10.061 2.927
55 HB2 ARG 11 HB2 ARG 11 5.868 -10.571 5.130
56 HB3 ARG 11 HB3 ARG 11 5.331 -10.997 3.511
57 HG2 ARG 11 HG2 ARG 11 7.816 -11.997 4.885
58 HG3 ARG 11 HG3 ARG 11 6.330 -12.907 4.603
59 HD2 ARG 11 HD2 ARG 11 7.146 -11.856 2.114
60 HD3 ARG 11 HD3 ARG 11 8.579 -12.544 2.877
61 HE ARG 11 HE ARG 11 6.254 -14.249 2.940
62 HH11 ARG 11 HH11 ARG 11 9.095 -13.299 1.167
63 HH12 ARG 11 HH12 ARG 11 9.197 -14.784 0.279
64 HH21 ARG 11 HH21 ARG 11 6.377 -16.208 1.778
65 HH22 ARG 11 HH22 ARG 11 7.650 -16.437 0.627
66 H CYS 12 H CYS 12 6.223 -7.318 4.094
67 HA CYS 12 HA CYS 12 4.152 -7.160 2.106
68 HB2 CYS 12 HB2 CYS 12 4.269 -6.040 4.467
69 HB3 CYS 12 HB3 CYS 12 5.172 -4.785 3.626
70 H ARG 13 H ARG 13 5.658 -7.584 0.291
71 HA ARG 13 HA ARG 13 6.768 -5.048 -0.701
72 HB2 ARG 13 HB2 ARG 13 8.036 -7.777 -0.996
73 HB3 ARG 13 HB3 ARG 13 8.614 -6.300 -1.756
74 HG2 ARG 13 HG2 ARG 13 9.440 -5.448 0.201
75 HG3 ARG 13 HG3 ARG 13 8.307 -6.359 1.202
76 HD2 ARG 13 HD2 ARG 13 10.468 -7.307 1.526
77 HD3 ARG 13 HD3 ARG 13 9.537 -8.438 0.545
78 HE ARG 13 HE ARG 13 10.882 -6.890 -1.263
79 HH11 ARG 13 HH11 ARG 13 11.785 -8.896 1.435
80 HH12 ARG 13 HH12 ARG 13 13.325 -9.326 0.767
81 HH21 ARG 13 HH21 ARG 13 12.906 -7.449 -2.153
82 HH22 ARG 13 HH22 ARG 13 13.962 -8.502 -1.273
83 H PHE 14 H PHE 14 6.594 -4.692 -2.918
84 HA PHE 14 HA PHE 14 4.345 -5.839 -4.181
85 HB2 PHE 14 HB2 PHE 14 5.051 -3.566 -4.684
86 HB3 PHE 14 HB3 PHE 14 6.581 -4.155 -5.327
87 HD1 PHE 14 HD1 PHE 14 2.908 -4.364 -5.853
88 HD2 PHE 14 HD2 PHE 14 6.786 -4.632 -7.586
89 HE1 PHE 14 HE1 PHE 14 1.894 -4.536 -8.088
90 HE2 PHE 14 HE2 PHE 14 5.778 -4.803 -9.823
91 HZ PHE 14 HZ PHE 14 3.329 -4.755 -10.077
92 H ALA 15 H ALA 15 7.722 -6.632 -4.200
93 HA ALA 15 HA ALA 15 7.909 -8.074 -6.586
94 HB1 ALA 15 HB1 ALA 15 9.562 -7.556 -4.388
95 HB2 ALA 15 HB2 ALA 15 9.477 -9.313 -4.522
96 HB3 ALA 15 HB3 ALA 15 10.002 -8.348 -5.902
97 H CYS 16 H CYS 16 6.541 -8.931 -3.489
98 HA CYS 16 HA CYS 16 6.468 -11.706 -3.710
99 HB2 CYS 16 HB2 CYS 16 5.351 -9.727 -2.004
100 HB3 CYS 16 HB3 CYS 16 4.043 -10.799 -2.493
101 H CYS 17 H CYS 17 4.345 -9.251 -5.067
102 HA CYS 17 HA CYS 17 2.260 -10.901 -5.933
103 HB2 CYS 17 HB2 CYS 17 3.211 -8.188 -6.494
104 HB3 CYS 17 HB3 CYS 17 2.401 -8.940 -7.865
105 HN1 NH2 18 H1 NH2 18 5.281 -9.975 -7.536
106 HN2 NH2 18 H2 NH2 18 5.240 -11.125 -8.798
Start of MODEL 16
1 H1 ASP 1 H ASP 1 2.290 0.873 0.877
2 HA ASP 1 HA ASP 1 1.375 -0.061 -1.680
3 HB2 ASP 1 HB2 ASP 1 4.074 1.162 -1.138
4 HB3 ASP 1 HB3 ASP 1 3.116 1.231 -2.616
5 H CYS 2 H CYS 2 1.427 -2.362 -1.159
6 HA CYS 2 HA CYS 2 3.840 -3.577 -2.111
7 HB2 CYS 2 HB2 CYS 2 3.800 -5.141 0.026
8 HB3 CYS 2 HB3 CYS 2 4.726 -3.644 0.008
9 H CYS 3 H CYS 3 3.510 -6.158 -1.600
10 HA CYS 3 HA CYS 3 0.716 -6.781 -2.286
11 HB2 CYS 3 HB2 CYS 3 3.225 -7.496 -3.729
12 HB3 CYS 3 HB3 CYS 3 1.936 -8.694 -3.678
13 HA HYP 4 HA HYP 4 2.190 -8.020 1.463
14 HB2 HYP 4 HB2 HYP 4 0.432 -7.675 2.942
15 HB3 HYP 4 HB3 HYP 4 -0.658 -8.751 2.058
16 HG HYP 4 HG HYP 4 -1.456 -6.691 1.286
17 HD22 HYP 4 HD2 HYP 4 -0.871 -7.317 -0.873
18 HD23 HYP 4 HD3 HYP 4 0.492 -6.210 -0.693
19 HD1 HYP 4 HOD HYP 4 0.992 -5.504 1.014
20 H CYS 5 H CYS 5 3.387 -9.765 1.770
21 HA CYS 5 HA CYS 5 2.181 -12.428 1.607
22 HB2 CYS 5 HB2 CYS 5 4.937 -11.347 1.364
23 HB3 CYS 5 HB3 CYS 5 4.776 -12.956 2.061
24 HA HYP 6 HA HYP 6 1.131 -13.342 5.042
25 HB2 HYP 6 HB2 HYP 6 1.130 -15.649 5.325
26 HB3 HYP 6 HB3 HYP 6 2.894 -15.740 5.422
27 HG HYP 6 HG HYP 6 2.602 -16.435 3.207
28 HD22 HYP 6 HD2 HYP 6 3.838 -14.596 2.508
29 HD23 HYP 6 HD3 HYP 6 2.293 -13.898 2.016
30 HD1 HYP 6 HOD HYP 6 0.628 -14.647 2.589
31 H ALA 7 H ALA 7 4.322 -12.609 5.485
32 HA ALA 7 HA ALA 7 4.475 -13.115 8.330
33 HB1 ALA 7 HB1 ALA 7 6.672 -12.257 8.231
34 HB2 ALA 7 HB2 ALA 7 6.446 -13.181 6.745
35 HB3 ALA 7 HB3 ALA 7 6.357 -11.420 6.710
36 H GLY 8 H GLY 8 4.111 -10.304 6.193
37 HA2 GLY 8 HA2 GLY 8 2.888 -8.366 6.667
38 HA3 GLY 8 HA3 GLY 8 2.780 -8.872 8.346
39 H ALA 9 H ALA 9 5.672 -9.335 8.556
40 HA ALA 9 HA ALA 9 6.437 -6.761 9.440
41 HB1 ALA 9 HB1 ALA 9 7.592 -8.272 10.651
42 HB2 ALA 9 HB2 ALA 9 7.673 -9.434 9.326
43 HB3 ALA 9 HB3 ALA 9 8.789 -8.069 9.371
44 H VAL 10 H VAL 10 8.420 -8.663 7.206
45 HA VAL 10 HA VAL 10 8.823 -6.215 5.615
46 HB VAL 10 HB VAL 10 10.836 -7.125 6.814
47 HG11 VAL 10 HG11 VAL 10 10.323 -9.503 6.569
48 HG12 VAL 10 HG12 VAL 10 10.550 -9.374 4.823
49 HG13 VAL 10 HG13 VAL 10 11.914 -9.120 5.913
50 HG21 VAL 10 HG21 VAL 10 11.906 -5.989 5.235
51 HG22 VAL 10 HG22 VAL 10 11.872 -7.412 4.194
52 HG23 VAL 10 HG23 VAL 10 10.559 -6.237 4.123
53 H ARG 11 H ARG 11 7.249 -9.095 5.556
54 HA ARG 11 HA ARG 11 7.828 -10.005 2.916
55 HB2 ARG 11 HB2 ARG 11 5.785 -10.628 4.996
56 HB3 ARG 11 HB3 ARG 11 5.448 -11.112 3.339
57 HG2 ARG 11 HG2 ARG 11 7.982 -11.845 4.780
58 HG3 ARG 11 HG3 ARG 11 6.531 -12.850 4.791
59 HD2 ARG 11 HD2 ARG 11 7.617 -13.784 3.018
60 HD3 ARG 11 HD3 ARG 11 6.723 -12.520 2.175
61 HE ARG 11 HE ARG 11 8.705 -11.439 1.741
62 HH11 ARG 11 HH11 ARG 11 9.230 -13.960 4.084
63 HH12 ARG 11 HH12 ARG 11 10.958 -13.843 4.015
64 HH21 ARG 11 HH21 ARG 11 10.978 -11.276 1.641
65 HH22 ARG 11 HH22 ARG 11 11.950 -12.316 2.626
66 H CYS 12 H CYS 12 6.256 -7.292 4.012
67 HA CYS 12 HA CYS 12 4.164 -7.177 2.036
68 HB2 CYS 12 HB2 CYS 12 4.271 -6.027 4.379
69 HB3 CYS 12 HB3 CYS 12 5.182 -4.783 3.530
70 H ARG 13 H ARG 13 5.565 -7.580 0.178
71 HA ARG 13 HA ARG 13 6.703 -5.067 -0.830
72 HB2 ARG 13 HB2 ARG 13 7.972 -7.802 -1.053
73 HB3 ARG 13 HB3 ARG 13 8.520 -6.374 -1.921
74 HG2 ARG 13 HG2 ARG 13 9.539 -5.502 -0.116
75 HG3 ARG 13 HG3 ARG 13 8.292 -6.072 0.995
76 HD2 ARG 13 HD2 ARG 13 10.300 -7.243 1.515
77 HD3 ARG 13 HD3 ARG 13 9.219 -8.380 0.710
78 HE ARG 13 HE ARG 13 10.864 -7.219 -1.227
79 HH11 ARG 13 HH11 ARG 13 11.107 -9.342 1.522
80 HH12 ARG 13 HH12 ARG 13 12.482 -10.197 0.904
81 HH21 ARG 13 HH21 ARG 13 12.674 -8.338 -2.051
82 HH22 ARG 13 HH22 ARG 13 13.372 -9.625 -1.127
83 H PHE 14 H PHE 14 6.514 -4.736 -3.052
84 HA PHE 14 HA PHE 14 4.254 -5.900 -4.282
85 HB2 PHE 14 HB2 PHE 14 4.954 -3.624 -4.804
86 HB3 PHE 14 HB3 PHE 14 6.470 -4.220 -5.471
87 HD1 PHE 14 HD1 PHE 14 6.524 -5.354 -7.623
88 HD2 PHE 14 HD2 PHE 14 2.900 -3.784 -6.035
89 HE1 PHE 14 HE1 PHE 14 5.476 -5.539 -9.841
90 HE2 PHE 14 HE2 PHE 14 1.846 -3.968 -8.251
91 HZ PHE 14 HZ PHE 14 3.133 -4.847 -10.157
92 H ALA 15 H ALA 15 7.621 -6.703 -4.297
93 HA ALA 15 HA ALA 15 7.822 -8.141 -6.682
94 HB1 ALA 15 HB1 ALA 15 9.835 -7.692 -5.587
95 HB2 ALA 15 HB2 ALA 15 9.257 -8.352 -4.056
96 HB3 ALA 15 HB3 ALA 15 9.625 -9.434 -5.399
97 H CYS 16 H CYS 16 6.382 -8.983 -3.620
98 HA CYS 16 HA CYS 16 6.295 -11.765 -3.862
99 HB2 CYS 16 HB2 CYS 16 5.153 -9.769 -2.159
100 HB3 CYS 16 HB3 CYS 16 3.889 -10.905 -2.621
101 H CYS 17 H CYS 17 4.192 -9.266 -5.174
102 HA CYS 17 HA CYS 17 2.075 -10.848 -6.051
103 HB2 CYS 17 HB2 CYS 17 3.121 -8.176 -6.636
104 HB3 CYS 17 HB3 CYS 17 2.294 -8.913 -8.004
105 HN1 NH2 18 H1 NH2 18 1.593 -11.835 -8.029
106 HN2 NH2 18 H2 NH2 18 2.773 -12.357 -9.148
Start of MODEL 17
1 H1 ASP 1 H ASP 1 0.523 0.511 -0.172
2 HA ASP 1 HA ASP 1 1.759 0.174 -2.174
3 HB2 ASP 1 HB2 ASP 1 3.888 1.307 -1.798
4 HB3 ASP 1 HB3 ASP 1 2.608 2.091 -0.876
5 H CYS 2 H CYS 2 1.434 -2.381 -1.298
6 HA CYS 2 HA CYS 2 3.840 -3.625 -2.232
7 HB2 CYS 2 HB2 CYS 2 3.790 -5.155 -0.069
8 HB3 CYS 2 HB3 CYS 2 4.727 -3.665 -0.112
9 H CYS 3 H CYS 3 3.495 -6.195 -1.679
10 HA CYS 3 HA CYS 3 0.697 -6.812 -2.355
11 HB2 CYS 3 HB2 CYS 3 3.202 -7.572 -3.784
12 HB3 CYS 3 HB3 CYS 3 1.899 -8.754 -3.718
13 HA HYP 4 HA HYP 4 2.167 -8.001 1.413
14 HB2 HYP 4 HB2 HYP 4 0.412 -7.620 2.888
15 HB3 HYP 4 HB3 HYP 4 -0.686 -8.704 2.022
16 HG HYP 4 HG HYP 4 -1.471 -6.651 1.218
17 HD22 HYP 4 HD2 HYP 4 -0.892 -7.315 -0.931
18 HD23 HYP 4 HD3 HYP 4 0.478 -6.214 -0.770
19 HD1 HYP 4 HOD HYP 4 0.984 -5.484 0.925
20 H CYS 5 H CYS 5 3.351 -9.747 1.753
21 HA CYS 5 HA CYS 5 2.128 -12.405 1.632
22 HB2 CYS 5 HB2 CYS 5 4.890 -11.347 1.369
23 HB3 CYS 5 HB3 CYS 5 4.720 -12.942 2.093
24 HA HYP 6 HA HYP 6 1.074 -13.257 5.082
25 HB2 HYP 6 HB2 HYP 6 1.059 -15.558 5.403
26 HB3 HYP 6 HB3 HYP 6 2.822 -15.659 5.500
27 HG HYP 6 HG HYP 6 2.524 -16.388 3.297
28 HD22 HYP 6 HD2 HYP 6 3.772 -14.569 2.567
29 HD23 HYP 6 HD3 HYP 6 2.231 -13.869 2.065
30 HD1 HYP 6 HOD HYP 6 0.561 -14.598 2.651
31 H ALA 7 H ALA 7 4.271 -12.537 5.511
32 HA ALA 7 HA ALA 7 4.423 -12.998 8.364
33 HB1 ALA 7 HB1 ALA 7 6.314 -11.342 6.714
34 HB2 ALA 7 HB2 ALA 7 6.625 -12.155 8.248
35 HB3 ALA 7 HB3 ALA 7 6.392 -13.103 6.779
36 H GLY 8 H GLY 8 4.075 -10.220 6.182
37 HA2 GLY 8 HA2 GLY 8 2.865 -8.267 6.624
38 HA3 GLY 8 HA3 GLY 8 2.756 -8.744 8.312
39 H ALA 9 H ALA 9 5.644 -9.222 8.527
40 HA ALA 9 HA ALA 9 6.427 -6.640 9.369
41 HB1 ALA 9 HB1 ALA 9 8.772 -7.987 9.289
42 HB2 ALA 9 HB2 ALA 9 7.599 -8.112 10.601
43 HB3 ALA 9 HB3 ALA 9 7.622 -9.325 9.320
44 H VAL 10 H VAL 10 8.397 -8.587 7.163
45 HA VAL 10 HA VAL 10 8.810 -6.167 5.533
46 HB VAL 10 HB VAL 10 10.820 -7.069 6.744
47 HG11 VAL 10 HG11 VAL 10 10.294 -9.448 6.536
48 HG12 VAL 10 HG12 VAL 10 10.520 -9.348 4.789
49 HG13 VAL 10 HG13 VAL 10 11.887 -9.083 5.872
50 HG21 VAL 10 HG21 VAL 10 10.851 -5.707 4.606
51 HG22 VAL 10 HG22 VAL 10 12.300 -6.651 4.952
52 HG23 VAL 10 HG23 VAL 10 11.137 -7.227 3.757
53 H ARG 11 H ARG 11 7.221 -9.039 5.521
54 HA ARG 11 HA ARG 11 7.792 -9.995 2.896
55 HB2 ARG 11 HB2 ARG 11 5.747 -10.573 4.987
56 HB3 ARG 11 HB3 ARG 11 5.408 -11.082 3.339
57 HG2 ARG 11 HG2 ARG 11 7.939 -11.804 4.788
58 HG3 ARG 11 HG3 ARG 11 6.483 -12.801 4.821
59 HD2 ARG 11 HD2 ARG 11 7.560 -13.772 3.062
60 HD3 ARG 11 HD3 ARG 11 6.670 -12.519 2.198
61 HE ARG 11 HE ARG 11 8.656 -11.455 1.741
62 HH11 ARG 11 HH11 ARG 11 9.175 -13.938 4.125
63 HH12 ARG 11 HH12 ARG 11 10.903 -13.832 4.049
64 HH21 ARG 11 HH21 ARG 11 10.929 -11.306 1.632
65 HH22 ARG 11 HH22 ARG 11 11.900 -12.334 2.631
66 H CYS 12 H CYS 12 6.237 -7.256 3.949
67 HA CYS 12 HA CYS 12 4.142 -7.161 1.975
68 HB2 CYS 12 HB2 CYS 12 4.262 -5.971 4.297
69 HB3 CYS 12 HB3 CYS 12 5.180 -4.748 3.425
70 H ARG 13 H ARG 13 5.560 -7.615 0.132
71 HA ARG 13 HA ARG 13 6.708 -5.125 -0.924
72 HB2 ARG 13 HB2 ARG 13 7.949 -7.876 -1.085
73 HB3 ARG 13 HB3 ARG 13 8.500 -6.485 -2.010
74 HG2 ARG 13 HG2 ARG 13 9.539 -5.551 -0.244
75 HG3 ARG 13 HG3 ARG 13 8.308 -6.089 0.901
76 HD2 ARG 13 HD2 ARG 13 10.264 -7.277 1.463
77 HD3 ARG 13 HD3 ARG 13 9.242 -8.423 0.595
78 HE ARG 13 HE ARG 13 10.845 -7.331 -1.329
79 HH11 ARG 13 HH11 ARG 13 11.380 -8.997 1.681
80 HH12 ARG 13 HH12 ARG 13 12.883 -9.696 1.178
81 HH21 ARG 13 HH21 ARG 13 12.823 -8.245 -2.003
82 HH22 ARG 13 HH22 ARG 13 13.704 -9.267 -0.918
83 H PHE 14 H PHE 14 6.518 -4.828 -3.151
84 HA PHE 14 HA PHE 14 4.242 -5.989 -4.357
85 HB2 PHE 14 HB2 PHE 14 5.134 -3.697 -4.843
86 HB3 PHE 14 HB3 PHE 14 6.451 -4.452 -5.734
87 HD1 PHE 14 HD1 PHE 14 6.188 -5.052 -7.972
88 HD2 PHE 14 HD2 PHE 14 2.761 -4.124 -5.624
89 HE1 PHE 14 HE1 PHE 14 4.793 -5.096 -9.998
90 HE2 PHE 14 HE2 PHE 14 1.360 -4.168 -7.646
91 HZ PHE 14 HZ PHE 14 2.375 -4.655 -9.837
92 H ALA 15 H ALA 15 7.601 -6.824 -4.366
93 HA ALA 15 HA ALA 15 7.785 -8.298 -6.730
94 HB1 ALA 15 HB1 ALA 15 9.717 -7.683 -5.348
95 HB2 ALA 15 HB2 ALA 15 9.194 -8.836 -4.119
96 HB3 ALA 15 HB3 ALA 15 9.688 -9.409 -5.712
97 H CYS 16 H CYS 16 6.339 -9.081 -3.656
98 HA CYS 16 HA CYS 16 6.225 -11.865 -3.856
99 HB2 CYS 16 HB2 CYS 16 5.092 -9.830 -2.189
100 HB3 CYS 16 HB3 CYS 16 3.828 -10.974 -2.628
101 H CYS 17 H CYS 17 4.144 -9.367 -5.205
102 HA CYS 17 HA CYS 17 2.012 -10.940 -6.058
103 HB2 CYS 17 HB2 CYS 17 3.088 -8.290 -6.689
104 HB3 CYS 17 HB3 CYS 17 2.249 -9.041 -8.043
105 HN1 NH2 18 H1 NH2 18 4.911 -9.977 -7.897
106 HN2 NH2 18 H2 NH2 18 4.878 -11.237 -9.049
Start of MODEL 18
1 H1 ASP 1 H ASP 1 3.560 1.409 -0.677
2 HA ASP 1 HA ASP 1 1.166 -0.309 -0.665
3 HB2 ASP 1 HB2 ASP 1 2.547 1.179 -2.869
4 HB3 ASP 1 HB3 ASP 1 1.657 -0.294 -3.243
5 H CYS 2 H CYS 2 1.376 -2.460 -1.111
6 HA CYS 2 HA CYS 2 3.859 -3.561 -2.080
7 HB2 CYS 2 HB2 CYS 2 3.832 -5.130 0.055
8 HB3 CYS 2 HB3 CYS 2 4.692 -3.594 0.061
9 H CYS 3 H CYS 3 3.629 -6.156 -1.575
10 HA CYS 3 HA CYS 3 0.887 -6.898 -2.347
11 HB2 CYS 3 HB2 CYS 3 3.323 -7.183 -3.875
12 HB3 CYS 3 HB3 CYS 3 2.612 -8.761 -3.550
13 HA HYP 4 HA HYP 4 2.284 -8.061 1.457
14 HB2 HYP 4 HB2 HYP 4 0.464 -7.781 2.875
15 HB3 HYP 4 HB3 HYP 4 -0.551 -8.903 1.960
16 HG HYP 4 HG HYP 4 -1.405 -6.881 1.152
17 HD22 HYP 4 HD2 HYP 4 -0.723 -7.491 -0.983
18 HD23 HYP 4 HD3 HYP 4 0.587 -6.329 -0.765
19 HD1 HYP 4 HOD HYP 4 1.001 -5.597 0.954
20 H CYS 5 H CYS 5 3.557 -9.767 1.729
21 HA CYS 5 HA CYS 5 2.445 -12.470 1.591
22 HB2 CYS 5 HB2 CYS 5 5.176 -11.302 1.388
23 HB3 CYS 5 HB3 CYS 5 5.038 -12.933 2.036
24 HA HYP 6 HA HYP 6 1.397 -13.367 5.033
25 HB2 HYP 6 HB2 HYP 6 1.439 -15.671 5.334
26 HB3 HYP 6 HB3 HYP 6 3.204 -15.728 5.433
27 HG HYP 6 HG HYP 6 2.929 -16.444 3.222
28 HD22 HYP 6 HD2 HYP 6 4.130 -14.588 2.512
29 HD23 HYP 6 HD3 HYP 6 2.573 -13.923 2.014
30 HD1 HYP 6 HOD HYP 6 0.922 -14.699 2.589
31 H ALA 7 H ALA 7 4.585 -12.593 5.476
32 HA ALA 7 HA ALA 7 4.770 -13.086 8.312
33 HB1 ALA 7 HB1 ALA 7 6.938 -12.303 8.187
34 HB2 ALA 7 HB2 ALA 7 6.689 -12.946 6.563
35 HB3 ALA 7 HB3 ALA 7 6.578 -11.209 6.851
36 H GLY 8 H GLY 8 4.250 -10.275 6.209
37 HA2 GLY 8 HA2 GLY 8 2.937 -8.404 6.718
38 HA3 GLY 8 HA3 GLY 8 2.886 -8.925 8.396
39 H ALA 9 H ALA 9 5.803 -9.248 8.543
40 HA ALA 9 HA ALA 9 6.448 -6.617 9.393
41 HB1 ALA 9 HB1 ALA 9 8.818 -7.716 9.533
42 HB2 ALA 9 HB2 ALA 9 7.537 -8.211 10.641
43 HB3 ALA 9 HB3 ALA 9 7.921 -9.205 9.236
44 H VAL 10 H VAL 10 8.512 -8.515 7.228
45 HA VAL 10 HA VAL 10 8.877 -6.092 5.592
46 HB VAL 10 HB VAL 10 10.900 -6.977 6.786
47 HG11 VAL 10 HG11 VAL 10 10.101 -9.415 6.235
48 HG12 VAL 10 HG12 VAL 10 11.046 -9.165 4.766
49 HG13 VAL 10 HG13 VAL 10 11.819 -9.034 6.346
50 HG21 VAL 10 HG21 VAL 10 10.878 -5.642 4.607
51 HG22 VAL 10 HG22 VAL 10 12.358 -6.514 5.007
52 HG23 VAL 10 HG23 VAL 10 11.244 -7.171 3.808
53 H ARG 11 H ARG 11 7.346 -9.012 5.576
54 HA ARG 11 HA ARG 11 7.902 -9.944 2.949
55 HB2 ARG 11 HB2 ARG 11 5.940 -10.561 5.080
56 HB3 ARG 11 HB3 ARG 11 5.454 -10.968 3.440
57 HG2 ARG 11 HG2 ARG 11 7.957 -11.909 4.826
58 HG3 ARG 11 HG3 ARG 11 6.497 -12.861 4.549
59 HD2 ARG 11 HD2 ARG 11 7.235 -11.804 2.053
60 HD3 ARG 11 HD3 ARG 11 8.722 -12.387 2.799
61 HE ARG 11 HE ARG 11 6.639 -13.974 1.722
62 HH11 ARG 11 HH11 ARG 11 8.926 -13.853 4.344
63 HH12 ARG 11 HH12 ARG 11 9.003 -15.574 4.528
64 HH21 ARG 11 HH21 ARG 11 6.731 -16.241 1.955
65 HH22 ARG 11 HH22 ARG 11 7.755 -16.931 3.169
66 H CYS 12 H CYS 12 6.245 -7.251 4.057
67 HA CYS 12 HA CYS 12 4.219 -7.153 2.014
68 HB2 CYS 12 HB2 CYS 12 4.251 -6.029 4.384
69 HB3 CYS 12 HB3 CYS 12 5.121 -4.744 3.552
70 H ARG 13 H ARG 13 5.769 -7.525 0.234
71 HA ARG 13 HA ARG 13 6.879 -4.964 -0.698
72 HB2 ARG 13 HB2 ARG 13 8.144 -7.699 -0.909
73 HB3 ARG 13 HB3 ARG 13 8.690 -6.300 -1.823
74 HG2 ARG 13 HG2 ARG 13 9.622 -5.297 -0.004
75 HG3 ARG 13 HG3 ARG 13 8.480 -6.032 1.123
76 HD2 ARG 13 HD2 ARG 13 10.604 -7.026 1.523
77 HD3 ARG 13 HD3 ARG 13 9.614 -8.226 0.693
78 HE ARG 13 HE ARG 13 11.003 -6.915 -1.285
79 HH11 ARG 13 HH11 ARG 13 11.801 -8.765 1.554
80 HH12 ARG 13 HH12 ARG 13 13.293 -9.362 0.905
81 HH21 ARG 13 HH21 ARG 13 12.965 -7.694 -2.150
82 HH22 ARG 13 HH22 ARG 13 13.954 -8.751 -1.202
83 H PHE 14 H PHE 14 6.771 -4.582 -2.925
84 HA PHE 14 HA PHE 14 4.515 -5.633 -4.239
85 HB2 PHE 14 HB2 PHE 14 5.633 -3.372 -4.616
86 HB3 PHE 14 HB3 PHE 14 6.808 -4.231 -5.607
87 HD1 PHE 14 HD1 PHE 14 3.511 -2.805 -5.451
88 HD2 PHE 14 HD2 PHE 14 6.030 -5.435 -7.654
89 HE1 PHE 14 HE1 PHE 14 2.000 -2.627 -7.385
90 HE2 PHE 14 HE2 PHE 14 4.524 -5.260 -9.591
91 HZ PHE 14 HZ PHE 14 2.506 -3.855 -9.459
92 H ALA 15 H ALA 15 7.885 -6.526 -4.269
93 HA ALA 15 HA ALA 15 8.054 -7.991 -6.617
94 HB1 ALA 15 HB1 ALA 15 10.117 -8.069 -5.782
95 HB2 ALA 15 HB2 ALA 15 9.541 -7.813 -4.134
96 HB3 ALA 15 HB3 ALA 15 9.571 -9.440 -4.815
97 H CYS 16 H CYS 16 6.537 -8.806 -3.576
98 HA CYS 16 HA CYS 16 6.293 -11.584 -3.943
99 HB2 CYS 16 HB2 CYS 16 5.287 -9.584 -2.115
100 HB3 CYS 16 HB3 CYS 16 4.023 -10.739 -2.524
101 H CYS 17 H CYS 17 4.642 -8.923 -5.377
102 HA CYS 17 HA CYS 17 2.167 -9.860 -6.030
103 HB2 CYS 17 HB2 CYS 17 4.135 -8.218 -7.600
104 HB3 CYS 17 HB3 CYS 17 2.563 -8.629 -8.279
105 HN1 NH2 18 H1 NH2 18 1.622 -11.827 -6.706
106 HN2 NH2 18 H2 NH2 18 2.348 -12.745 -7.949
Start of MODEL 19
1 H1 ASP 1 H ASP 1 3.638 1.339 0.211
2 HA ASP 1 HA ASP 1 1.358 -0.157 -0.870
3 HB2 ASP 1 HB2 ASP 1 3.632 1.249 -2.285
4 HB3 ASP 1 HB3 ASP 1 2.315 0.399 -3.087
5 H CYS 2 H CYS 2 1.513 -2.282 -1.064
6 HA CYS 2 HA CYS 2 3.884 -3.555 -2.046
7 HB2 CYS 2 HB2 CYS 2 3.847 -5.119 0.085
8 HB3 CYS 2 HB3 CYS 2 4.793 -3.635 0.066
9 H CYS 3 H CYS 3 3.501 -6.126 -1.544
10 HA CYS 3 HA CYS 3 0.681 -6.683 -2.175
11 HB2 CYS 3 HB2 CYS 3 2.163 -6.718 -4.214
12 HB3 CYS 3 HB3 CYS 3 3.028 -8.067 -3.483
13 HA HYP 4 HA HYP 4 2.202 -7.988 1.529
14 HB2 HYP 4 HB2 HYP 4 0.476 -7.630 3.043
15 HB3 HYP 4 HB3 HYP 4 -0.646 -8.680 2.168
16 HG HYP 4 HG HYP 4 -1.426 -6.601 1.432
17 HD22 HYP 4 HD2 HYP 4 -0.890 -7.214 -0.744
18 HD23 HYP 4 HD3 HYP 4 0.493 -6.130 -0.579
19 HD1 HYP 4 HOD HYP 4 1.035 -5.449 1.126
20 H CYS 5 H CYS 5 3.379 -9.757 1.777
21 HA CYS 5 HA CYS 5 2.134 -12.398 1.608
22 HB2 CYS 5 HB2 CYS 5 4.895 -11.348 1.337
23 HB3 CYS 5 HB3 CYS 5 4.734 -12.954 2.040
24 HA HYP 6 HA HYP 6 1.106 -13.349 5.039
25 HB2 HYP 6 HB2 HYP 6 1.084 -15.659 5.293
26 HB3 HYP 6 HB3 HYP 6 2.847 -15.768 5.374
27 HG HYP 6 HG HYP 6 2.530 -16.432 3.152
28 HD22 HYP 6 HD2 HYP 6 3.779 -14.597 2.467
29 HD23 HYP 6 HD3 HYP 6 2.237 -13.878 1.997
30 HD1 HYP 6 HOD HYP 6 0.569 -14.617 2.574
31 H ALA 7 H ALA 7 4.316 -12.668 5.464
32 HA ALA 7 HA ALA 7 4.489 -13.210 8.299
33 HB1 ALA 7 HB1 ALA 7 6.442 -13.266 6.692
34 HB2 ALA 7 HB2 ALA 7 6.368 -11.504 6.687
35 HB3 ALA 7 HB3 ALA 7 6.691 -12.369 8.190
36 H GLY 8 H GLY 8 4.124 -10.364 6.210
37 HA2 GLY 8 HA2 GLY 8 2.920 -8.425 6.725
38 HA3 GLY 8 HA3 GLY 8 2.827 -8.955 8.398
39 H ALA 9 H ALA 9 5.716 -9.441 8.571
40 HA ALA 9 HA ALA 9 6.509 -6.883 9.479
41 HB1 ALA 9 HB1 ALA 9 7.509 -8.627 10.628
42 HB2 ALA 9 HB2 ALA 9 7.908 -9.507 9.152
43 HB3 ALA 9 HB3 ALA 9 8.815 -8.059 9.587
44 H VAL 10 H VAL 10 8.460 -8.777 7.210
45 HA VAL 10 HA VAL 10 8.877 -6.315 5.646
46 HB VAL 10 HB VAL 10 10.888 -7.271 6.810
47 HG11 VAL 10 HG11 VAL 10 10.335 -9.638 6.536
48 HG12 VAL 10 HG12 VAL 10 10.551 -9.488 4.791
49 HG13 VAL 10 HG13 VAL 10 11.927 -9.269 5.873
50 HG21 VAL 10 HG21 VAL 10 11.954 -6.126 5.235
51 HG22 VAL 10 HG22 VAL 10 11.897 -7.537 4.179
52 HG23 VAL 10 HG23 VAL 10 10.597 -6.346 4.131
53 H ARG 11 H ARG 11 7.268 -9.179 5.563
54 HA ARG 11 HA ARG 11 7.803 -10.056 2.905
55 HB2 ARG 11 HB2 ARG 11 5.774 -10.680 4.997
56 HB3 ARG 11 HB3 ARG 11 5.413 -11.135 3.337
57 HG2 ARG 11 HG2 ARG 11 7.945 -11.927 4.752
58 HG3 ARG 11 HG3 ARG 11 6.482 -12.914 4.741
59 HD2 ARG 11 HD2 ARG 11 7.547 -13.823 2.945
60 HD3 ARG 11 HD3 ARG 11 6.683 -12.520 2.130
61 HE ARG 11 HE ARG 11 8.689 -11.471 1.731
62 HH11 ARG 11 HH11 ARG 11 9.152 -14.062 4.010
63 HH12 ARG 11 HH12 ARG 11 10.881 -13.981 3.950
64 HH21 ARG 11 HH21 ARG 11 10.965 -11.354 1.643
65 HH22 ARG 11 HH22 ARG 11 11.912 -12.440 2.604
66 H CYS 12 H CYS 12 6.268 -7.344 4.064
67 HA CYS 12 HA CYS 12 4.165 -7.170 2.104
68 HB2 CYS 12 HB2 CYS 12 4.268 -6.071 4.456
69 HB3 CYS 12 HB3 CYS 12 5.233 -4.832 3.659
70 H ARG 13 H ARG 13 5.502 -7.534 0.211
71 HA ARG 13 HA ARG 13 6.630 -5.017 -0.778
72 HB2 ARG 13 HB2 ARG 13 7.985 -7.714 -0.905
73 HB3 ARG 13 HB3 ARG 13 8.471 -6.333 -1.879
74 HG2 ARG 13 HG2 ARG 13 9.479 -5.299 -0.152
75 HG3 ARG 13 HG3 ARG 13 8.279 -5.850 1.019
76 HD2 ARG 13 HD2 ARG 13 10.359 -6.894 1.555
77 HD3 ARG 13 HD3 ARG 13 9.295 -8.124 0.875
78 HE ARG 13 HE ARG 13 10.783 -7.115 -1.228
79 HH11 ARG 13 HH11 ARG 13 11.370 -8.797 1.763
80 HH12 ARG 13 HH12 ARG 13 12.795 -9.596 1.185
81 HH21 ARG 13 HH21 ARG 13 12.658 -8.160 -2.000
82 HH22 ARG 13 HH22 ARG 13 13.527 -9.232 -0.955
83 H PHE 14 H PHE 14 6.450 -4.704 -3.003
84 HA PHE 14 HA PHE 14 4.229 -5.902 -4.249
85 HB2 PHE 14 HB2 PHE 14 4.905 -3.655 -4.839
86 HB3 PHE 14 HB3 PHE 14 6.469 -4.233 -5.406
87 HD1 PHE 14 HD1 PHE 14 2.844 -4.255 -6.097
88 HD2 PHE 14 HD2 PHE 14 6.745 -5.065 -7.594
89 HE1 PHE 14 HE1 PHE 14 1.916 -4.525 -8.360
90 HE2 PHE 14 HE2 PHE 14 5.823 -5.336 -9.859
91 HZ PHE 14 HZ PHE 14 3.406 -5.065 -10.245
92 H ALA 15 H ALA 15 7.618 -6.673 -4.259
93 HA ALA 15 HA ALA 15 7.904 -8.146 -6.573
94 HB1 ALA 15 HB1 ALA 15 9.773 -7.658 -5.113
95 HB2 ALA 15 HB2 ALA 15 9.103 -8.707 -3.863
96 HB3 ALA 15 HB3 ALA 15 9.662 -9.397 -5.387
97 H CYS 16 H CYS 16 6.326 -9.038 -3.570
98 HA CYS 16 HA CYS 16 6.113 -11.795 -3.945
99 HB2 CYS 16 HB2 CYS 16 4.918 -9.788 -2.233
100 HB3 CYS 16 HB3 CYS 16 3.731 -11.000 -2.704
101 H CYS 17 H CYS 17 4.203 -9.147 -5.238
102 HA CYS 17 HA CYS 17 2.082 -10.708 -6.272
103 HB2 CYS 17 HB2 CYS 17 2.971 -7.935 -6.415
104 HB3 CYS 17 HB3 CYS 17 2.276 -8.493 -7.934
105 HN1 NH2 18 H1 NH2 18 2.269 -12.243 -7.756
106 HN2 NH2 18 H2 NH2 18 3.281 -12.258 -9.132
Start of MODEL 20
1 H1 ASP 1 H ASP 1 3.419 1.577 0.013
2 HA ASP 1 HA ASP 1 1.467 -0.189 -1.076
3 HB2 ASP 1 HB2 ASP 1 3.752 1.361 -2.287
4 HB3 ASP 1 HB3 ASP 1 2.717 0.310 -3.250
5 H CYS 2 H CYS 2 1.607 -2.320 -1.201
6 HA CYS 2 HA CYS 2 3.972 -3.630 -2.147
7 HB2 CYS 2 HB2 CYS 2 3.903 -5.163 0.006
8 HB3 CYS 2 HB3 CYS 2 4.865 -3.688 -0.028
9 H CYS 3 H CYS 3 3.561 -6.189 -1.612
10 HA CYS 3 HA CYS 3 0.740 -6.728 -2.256
11 HB2 CYS 3 HB2 CYS 3 2.228 -6.808 -4.284
12 HB3 CYS 3 HB3 CYS 3 3.087 -8.146 -3.527
13 HA HYP 4 HA HYP 4 2.220 -7.993 1.478
14 HB2 HYP 4 HB2 HYP 4 0.487 -7.595 2.974
15 HB3 HYP 4 HB3 HYP 4 -0.640 -8.647 2.107
16 HG HYP 4 HG HYP 4 -1.393 -6.571 1.333
17 HD22 HYP 4 HD2 HYP 4 -0.847 -7.222 -0.829
18 HD23 HYP 4 HD3 HYP 4 0.546 -6.149 -0.669
19 HD1 HYP 4 HOD HYP 4 1.082 -5.449 1.029
20 H CYS 5 H CYS 5 3.377 -9.769 1.766
21 HA CYS 5 HA CYS 5 2.106 -12.401 1.625
22 HB2 CYS 5 HB2 CYS 5 4.879 -11.382 1.359
23 HB3 CYS 5 HB3 CYS 5 4.697 -12.976 2.085
24 HA HYP 6 HA HYP 6 1.043 -13.289 5.063
25 HB2 HYP 6 HB2 HYP 6 0.996 -15.594 5.352
26 HB3 HYP 6 HB3 HYP 6 2.758 -15.720 5.446
27 HG HYP 6 HG HYP 6 2.450 -16.414 3.233
28 HD22 HYP 6 HD2 HYP 6 3.722 -14.603 2.529
29 HD23 HYP 6 HD3 HYP 6 2.191 -13.875 2.038
30 HD1 HYP 6 HOD HYP 6 0.511 -14.588 2.614
31 H ALA 7 H ALA 7 4.258 -12.637 5.501
32 HA ALA 7 HA ALA 7 4.406 -13.137 8.345
33 HB1 ALA 7 HB1 ALA 7 6.616 -12.318 8.240
34 HB2 ALA 7 HB2 ALA 7 6.370 -13.235 6.753
35 HB3 ALA 7 HB3 ALA 7 6.312 -11.473 6.722
36 H GLY 8 H GLY 8 4.082 -10.319 6.211
37 HA2 GLY 8 HA2 GLY 8 2.894 -8.361 6.690
38 HA3 GLY 8 HA3 GLY 8 2.785 -8.865 8.370
39 H ALA 9 H ALA 9 5.668 -9.377 8.570
40 HA ALA 9 HA ALA 9 6.480 -6.814 9.446
41 HB1 ALA 9 HB1 ALA 9 7.836 -9.463 9.180
42 HB2 ALA 9 HB2 ALA 9 8.778 -8.022 9.567
43 HB3 ALA 9 HB3 ALA 9 7.468 -8.531 10.632
44 H VAL 10 H VAL 10 8.428 -8.759 7.219
45 HA VAL 10 HA VAL 10 8.879 -6.324 5.622
46 HB VAL 10 HB VAL 10 10.873 -7.280 6.813
47 HG11 VAL 10 HG11 VAL 10 10.537 -9.524 4.826
48 HG12 VAL 10 HG12 VAL 10 11.897 -9.304 5.929
49 HG13 VAL 10 HG13 VAL 10 10.288 -9.647 6.567
50 HG21 VAL 10 HG21 VAL 10 10.929 -5.891 4.695
51 HG22 VAL 10 HG22 VAL 10 12.358 -6.871 5.021
52 HG23 VAL 10 HG23 VAL 10 11.178 -7.404 3.823
53 H ARG 11 H ARG 11 7.244 -9.174 5.570
54 HA ARG 11 HA ARG 11 7.790 -10.095 2.929
55 HB2 ARG 11 HB2 ARG 11 5.740 -10.669 5.015
56 HB3 ARG 11 HB3 ARG 11 5.386 -11.146 3.360
57 HG2 ARG 11 HG2 ARG 11 7.900 -11.941 4.803
58 HG3 ARG 11 HG3 ARG 11 6.428 -12.913 4.797
59 HD2 ARG 11 HD2 ARG 11 7.496 -13.860 3.023
60 HD3 ARG 11 HD3 ARG 11 6.650 -12.561 2.182
61 HE ARG 11 HE ARG 11 8.668 -11.536 1.782
62 HH11 ARG 11 HH11 ARG 11 9.092 -14.099 4.099
63 HH12 ARG 11 HH12 ARG 11 10.822 -14.035 4.048
64 HH21 ARG 11 HH21 ARG 11 10.946 -11.443 1.706
65 HH22 ARG 11 HH22 ARG 11 11.876 -12.524 2.687
66 H CYS 12 H CYS 12 6.273 -7.351 4.035
67 HA CYS 12 HA CYS 12 4.185 -7.187 2.060
68 HB2 CYS 12 HB2 CYS 12 4.287 -6.051 4.395
69 HB3 CYS 12 HB3 CYS 12 5.267 -4.835 3.583
70 H ARG 13 H ARG 13 5.556 -7.607 0.191
71 HA ARG 13 HA ARG 13 6.713 -5.115 -0.832
72 HB2 ARG 13 HB2 ARG 13 8.024 -7.835 -0.975
73 HB3 ARG 13 HB3 ARG 13 8.560 -6.424 -1.877
74 HG2 ARG 13 HG2 ARG 13 9.491 -5.442 -0.062
75 HG3 ARG 13 HG3 ARG 13 8.300 -6.116 1.052
76 HD2 ARG 13 HD2 ARG 13 10.415 -7.131 1.519
77 HD3 ARG 13 HD3 ARG 13 9.383 -8.339 0.756
78 HE ARG 13 HE ARG 13 10.801 -7.209 -1.299
79 HH11 ARG 13 HH11 ARG 13 11.587 -8.850 1.669
80 HH12 ARG 13 HH12 ARG 13 13.068 -9.514 1.063
81 HH21 ARG 13 HH21 ARG 13 12.749 -8.078 -2.109
82 HH22 ARG 13 HH22 ARG 13 13.728 -9.073 -1.086
83 H PHE 14 H PHE 14 6.546 -4.827 -3.060
84 HA PHE 14 HA PHE 14 4.315 -6.012 -4.302
85 HB2 PHE 14 HB2 PHE 14 5.429 -3.728 -4.765
86 HB3 PHE 14 HB3 PHE 14 6.510 -4.628 -5.823
87 HD1 PHE 14 HD1 PHE 14 3.176 -3.281 -5.381
88 HD2 PHE 14 HD2 PHE 14 5.630 -5.760 -7.821
89 HE1 PHE 14 HE1 PHE 14 1.513 -3.141 -7.190
90 HE2 PHE 14 HE2 PHE 14 3.971 -5.623 -9.634
91 HZ PHE 14 HZ PHE 14 1.910 -4.312 -9.319
92 H ALA 15 H ALA 15 7.695 -6.821 -4.289
93 HA ALA 15 HA ALA 15 7.971 -8.326 -6.585
94 HB1 ALA 15 HB1 ALA 15 9.987 -8.620 -5.713
95 HB2 ALA 15 HB2 ALA 15 9.418 -7.961 -4.179
96 HB3 ALA 15 HB3 ALA 15 9.316 -9.695 -4.486
97 H CYS 16 H CYS 16 6.380 -9.161 -3.572
98 HA CYS 16 HA CYS 16 6.144 -11.920 -3.901
99 HB2 CYS 16 HB2 CYS 16 4.961 -9.876 -2.231
100 HB3 CYS 16 HB3 CYS 16 3.757 -11.074 -2.695
101 H CYS 17 H CYS 17 4.258 -9.282 -5.251
102 HA CYS 17 HA CYS 17 2.134 -10.844 -6.273
103 HB2 CYS 17 HB2 CYS 17 3.050 -8.082 -6.466
104 HB3 CYS 17 HB3 CYS 17 2.354 -8.665 -7.975
105 HN1 NH2 18 H1 NH2 18 5.015 -9.489 -7.880
106 HN2 NH2 18 H2 NH2 18 5.076 -10.581 -9.191