Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
5974 | 1i98 RC | 5020 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ACE 1 1HA ACE 1 2.120 0.966 -0.682
2 2H ACE 1 2HA ACE 1 0.640 1.926 -0.648
3 3H ACE 1 3HA ACE 1 0.912 0.772 -1.952
4 H CYS 2 H CYS 2 0.064 -1.248 -1.689
5 HA CYS 2 HA CYS 2 -1.128 -3.028 -0.685
6 1HB CYS 2 2HB CYS 2 0.709 -2.195 1.585
7 2HB CYS 2 1HB CYS 2 -0.122 -3.745 1.471
8 H ARG 3 H ARG 3 -2.106 -3.479 1.824
9 HA ARG 3 HA ARG 3 -4.203 -1.411 2.062
10 1HB ARG 3 2HB ARG 3 -3.698 -4.070 3.450
11 2HB ARG 3 1HB ARG 3 -5.182 -3.125 3.586
12 1HG ARG 3 2HG ARG 3 -4.345 -3.616 0.806
13 2HG ARG 3 1HG ARG 3 -4.738 -5.085 1.702
14 1HD ARG 3 2HD ARG 3 -6.559 -2.655 1.623
15 2HD ARG 3 1HD ARG 3 -6.732 -4.052 0.541
16 HE ARG 3 HE ARG 3 -7.389 -4.019 3.378
17 1HH1 ARG 3 2HH1 ARG 3 -8.755 -5.718 1.309
18 2HH1 ARG 3 1HH1 ARG 3 -8.188 -7.304 1.715
19 1HH2 ARG 3 1HH2 ARG 3 -5.561 -6.154 3.666
20 2HH2 ARG 3 2HH2 ARG 3 -6.380 -7.550 3.050
21 H TRP 4 H TRP 4 -2.601 0.244 2.918
22 HA TRP 4 HA TRP 4 -2.524 0.105 5.896
23 1HB TRP 4 2HB TRP 4 -0.348 -0.650 4.318
24 2HB TRP 4 1HB TRP 4 0.010 1.034 4.683
25 HD1 TRP 4 HD1 TRP 4 -1.486 0.848 7.643
26 HE1 TRP 4 HE1 TRP 4 -0.143 -0.275 9.536
27 HE3 TRP 4 HE3 TRP 4 1.896 -1.797 4.881
28 HZ2 TRP 4 HZ2 TRP 4 2.068 -2.050 9.842
29 HZ3 TRP 4 HZ3 TRP 4 3.611 -3.195 5.996
30 HH2 TRP 4 HH2 TRP 4 3.698 -3.322 8.472
31 H LEU 5 H LEU 5 -1.094 2.366 6.422
32 HA LEU 5 HA LEU 5 -2.872 4.500 5.502
33 1HB LEU 5 2HB LEU 5 -0.494 4.236 7.350
34 2HB LEU 5 1HB LEU 5 -1.193 5.815 6.990
35 HG LEU 5 HG LEU 5 -3.056 3.618 7.781
36 1HD1 LEU 5 1HD1 LEU 5 -1.193 5.089 9.664
37 2HD1 LEU 5 2HD1 LEU 5 -1.355 3.344 9.467
38 3HD1 LEU 5 3HD1 LEU 5 -2.665 4.274 10.196
39 1HD2 LEU 5 1HD2 LEU 5 -4.285 5.481 8.744
40 2HD2 LEU 5 2HD2 LEU 5 -3.788 5.928 7.113
41 3HD2 LEU 5 3HD2 LEU 5 -2.911 6.560 8.506
42 H ARG 6 H ARG 6 -1.997 6.529 4.536
43 HA ARG 6 HA ARG 6 -0.440 6.062 2.173
44 1HB ARG 6 2HB ARG 6 -2.160 7.870 2.654
45 2HB ARG 6 1HB ARG 6 -0.932 8.688 3.621
46 1HG ARG 6 2HG ARG 6 0.478 8.221 1.342
47 2HG ARG 6 1HG ARG 6 -1.144 8.411 0.676
48 1HD ARG 6 2HD ARG 6 -1.174 10.648 1.110
49 2HD ARG 6 1HD ARG 6 -0.457 10.428 2.720
50 HE ARG 6 HE ARG 6 1.087 10.554 0.167
51 1HH1 ARG 6 1HH2 ARG 6 1.208 12.506 2.563
52 2HH1 ARG 6 2HH2 ARG 6 2.713 12.029 3.275
53 1HH2 ARG 6 2HH1 ARG 6 2.898 9.040 1.528
54 2HH2 ARG 6 1HH1 ARG 6 3.670 10.068 2.689
55 H GLY 7 H GLY 7 0.557 6.593 5.447
56 1HA GLY 7 2HA GLY 7 3.211 7.661 4.639
57 2HA GLY 7 1HA GLY 7 2.629 7.486 6.293
58 H ASP 8 H ASP 8 2.237 4.809 4.083
59 HA ASP 8 HA ASP 8 4.170 3.241 5.720
60 1HB ASP 8 2HB ASP 8 2.952 1.324 4.785
61 2HB ASP 8 1HB ASP 8 1.808 2.502 5.424
62 H TRP 9 H TRP 9 4.630 1.218 3.726
63 HA TRP 9 HA TRP 9 6.810 2.486 2.217
64 1HB TRP 9 2HB TRP 9 6.138 -0.051 3.275
65 2HB TRP 9 1HB TRP 9 6.271 -0.264 1.548
66 HD1 TRP 9 HD1 TRP 9 8.644 0.067 0.440
67 HE1 TRP 9 HE1 TRP 9 11.010 0.333 1.401
68 HE3 TRP 9 HE3 TRP 9 7.494 1.068 5.298
69 HZ2 TRP 9 HZ2 TRP 9 12.260 0.913 3.919
70 HZ3 TRP 9 HZ3 TRP 9 9.273 1.478 6.958
71 HH2 TRP 9 HH2 TRP 9 11.659 1.410 6.278
72 H ARG 10 H ARG 10 6.947 1.356 -0.176
73 HA ARG 10 HA ARG 10 4.884 2.624 -1.761
74 1HB ARG 10 2HB ARG 10 6.176 1.582 -3.626
75 2HB ARG 10 1HB ARG 10 7.225 2.406 -2.473
76 1HG ARG 10 2HG ARG 10 8.041 0.406 -1.581
77 2HG ARG 10 1HG ARG 10 6.633 -0.519 -2.104
78 1HD ARG 10 2HD ARG 10 8.562 -1.086 -3.523
79 2HD ARG 10 1HD ARG 10 7.374 -0.190 -4.489
80 HE ARG 10 HE ARG 10 8.823 1.877 -3.673
81 1HH1 ARG 10 1HH2 ARG 10 9.564 0.382 -6.237
82 2HH1 ARG 10 2HH2 ARG 10 11.268 0.164 -6.011
83 1HH2 ARG 10 2HH1 ARG 10 11.176 0.878 -2.619
84 2HH2 ARG 10 1HH1 ARG 10 12.180 0.445 -3.961
85 H GLN 11 H GLN 11 4.280 0.875 -3.781
86 HA GLN 11 HA GLN 11 2.043 -0.590 -2.853
87 1HB GLN 11 2HB GLN 11 2.940 0.176 -5.235
88 2HB GLN 11 1HB GLN 11 3.597 -1.460 -5.275
89 1HG GLN 11 2HG GLN 11 1.522 -2.439 -5.374
90 2HG GLN 11 1HG GLN 11 0.768 -1.182 -4.390
91 1HE2 GLN 11 1HE2 GLN 11 -0.011 0.746 -5.477
92 2HE2 GLN 11 2HE2 GLN 11 -0.126 0.836 -7.168
93 H CYS 12 H CYS 12 1.995 -3.143 -3.535
94 HA CYS 12 HA CYS 12 3.769 -4.463 -1.607
95 1HB CYS 12 2HB CYS 12 1.729 -5.622 -3.533
96 2HB CYS 12 1HB CYS 12 2.358 -6.396 -2.084
97 1HN NH2 13 1HT CYS 12 4.961 -6.550 -2.346
98 2HN NH2 13 2HT CYS 12 5.733 -6.517 -3.858
Start of MODEL 2
1 1H ACE 1 1HA ACE 1 -6.273 -6.057 7.943
2 2H ACE 1 2HA ACE 1 -6.887 -5.673 6.336
3 3H ACE 1 3HA ACE 1 -7.889 -5.377 7.757
4 H CYS 2 H CYS 2 -4.526 -4.650 8.044
5 HA CYS 2 HA CYS 2 -4.857 -1.977 8.824
6 1HB CYS 2 2HB CYS 2 -2.662 -3.724 7.822
7 2HB CYS 2 1HB CYS 2 -2.339 -1.990 7.862
8 H ARG 3 H ARG 3 -6.092 -0.652 7.442
9 HA ARG 3 HA ARG 3 -5.131 -0.356 4.616
10 1HB ARG 3 2HB ARG 3 -7.776 -0.024 6.029
11 2HB ARG 3 1HB ARG 3 -7.497 0.717 4.451
12 1HG ARG 3 2HG ARG 3 -6.556 -1.817 4.019
13 2HG ARG 3 1HG ARG 3 -7.867 -2.128 5.156
14 1HD ARG 3 2HD ARG 3 -9.109 -2.126 3.202
15 2HD ARG 3 1HD ARG 3 -9.118 -0.377 3.503
16 HE ARG 3 HE ARG 3 -6.711 -0.970 2.134
17 1HH1 ARG 3 2HH1 ARG 3 -9.136 0.868 1.391
18 2HH1 ARG 3 1HH1 ARG 3 -9.475 0.271 -0.200
19 1HH2 ARG 3 1HH2 ARG 3 -7.565 -2.598 0.180
20 2HH2 ARG 3 2HH2 ARG 3 -8.587 -1.690 -0.885
21 H TRP 4 H TRP 4 -3.990 0.969 7.060
22 HA TRP 4 HA TRP 4 -4.640 3.844 6.446
23 1HB TRP 4 2HB TRP 4 -4.859 2.459 8.776
24 2HB TRP 4 1HB TRP 4 -3.203 3.046 8.919
25 HD1 TRP 4 HD1 TRP 4 -6.308 4.812 7.418
26 HE1 TRP 4 HE1 TRP 4 -6.575 7.093 8.595
27 HE3 TRP 4 HE3 TRP 4 -2.523 4.484 10.815
28 HZ2 TRP 4 HZ2 TRP 4 -5.339 8.578 10.716
29 HZ3 TRP 4 HZ3 TRP 4 -2.088 6.334 12.400
30 HH2 TRP 4 HH2 TRP 4 -3.487 8.381 12.359
31 H LEU 5 H LEU 5 -2.889 2.743 4.670
32 HA LEU 5 HA LEU 5 -0.116 3.158 5.639
33 1HB LEU 5 2HB LEU 5 -1.315 2.338 2.969
34 2HB LEU 5 1HB LEU 5 0.408 2.325 3.344
35 HG LEU 5 HG LEU 5 -1.346 0.906 5.273
36 1HD1 LEU 5 1HD1 LEU 5 -1.156 -1.138 3.662
37 2HD1 LEU 5 2HD1 LEU 5 -1.003 0.082 2.398
38 3HD1 LEU 5 3HD1 LEU 5 -2.454 0.027 3.400
39 1HD2 LEU 5 1HD2 LEU 5 0.575 -0.745 5.031
40 2HD2 LEU 5 2HD2 LEU 5 1.033 0.854 5.617
41 3HD2 LEU 5 3HD2 LEU 5 1.326 0.414 3.935
42 H ARG 6 H ARG 6 -1.425 5.556 5.848
43 HA ARG 6 HA ARG 6 -1.609 7.239 3.575
44 1HB ARG 6 2HB ARG 6 -2.264 7.568 6.053
45 2HB ARG 6 1HB ARG 6 -0.593 8.076 6.292
46 1HG ARG 6 2HG ARG 6 -1.162 9.602 4.165
47 2HG ARG 6 1HG ARG 6 -2.793 9.444 4.817
48 1HD ARG 6 2HD ARG 6 -2.318 10.968 6.423
49 2HD ARG 6 1HD ARG 6 -0.956 9.979 6.985
50 HE ARG 6 HE ARG 6 0.483 11.134 5.385
51 1HH1 ARG 6 2HH1 ARG 6 -1.805 11.757 3.436
52 2HH1 ARG 6 1HH1 ARG 6 -1.902 13.480 3.592
53 1HH2 ARG 6 1HH2 ARG 6 -0.046 13.588 6.518
54 2HH2 ARG 6 2HH2 ARG 6 -0.906 14.516 5.336
55 H GLY 7 H GLY 7 1.207 6.158 5.381
56 1HA GLY 7 2HA GLY 7 2.948 7.422 3.332
57 2HA GLY 7 1HA GLY 7 3.291 7.772 5.029
58 H ASP 8 H ASP 8 2.060 4.694 3.867
59 HA ASP 8 HA ASP 8 2.903 2.522 4.297
60 1HB ASP 8 2HB ASP 8 4.868 2.128 2.883
61 2HB ASP 8 1HB ASP 8 3.749 3.227 2.083
62 H TRP 9 H TRP 9 3.454 4.363 6.537
63 HA TRP 9 HA TRP 9 6.169 3.737 7.484
64 1HB TRP 9 2HB TRP 9 4.085 5.603 7.986
65 2HB TRP 9 1HB TRP 9 4.429 4.757 9.497
66 HD1 TRP 9 HD1 TRP 9 5.964 7.216 7.048
67 HE1 TRP 9 HE1 TRP 9 8.239 8.024 7.957
68 HE3 TRP 9 HE3 TRP 9 6.604 3.925 10.903
69 HZ2 TRP 9 HZ2 TRP 9 10.086 7.357 10.028
70 HZ3 TRP 9 HZ3 TRP 9 8.636 4.030 12.320
71 HH2 TRP 9 HH2 TRP 9 10.377 5.737 11.883
72 H ARG 10 H ARG 10 3.028 3.297 9.026
73 HA ARG 10 HA ARG 10 3.923 1.076 10.667
74 1HB ARG 10 2HB ARG 10 1.417 2.602 10.104
75 2HB ARG 10 1HB ARG 10 1.246 1.027 10.883
76 1HG ARG 10 2HG ARG 10 2.243 1.725 12.821
77 2HG ARG 10 1HG ARG 10 3.368 2.791 11.979
78 1HD ARG 10 2HD ARG 10 1.632 4.469 11.659
79 2HD ARG 10 1HD ARG 10 0.407 3.379 12.340
80 HE ARG 10 HE ARG 10 2.715 3.833 14.094
81 1HH1 ARG 10 2HH1 ARG 10 0.929 6.317 13.209
82 2HH1 ARG 10 1HH1 ARG 10 -0.036 6.469 14.639
83 1HH2 ARG 10 1HH2 ARG 10 0.884 3.376 15.910
84 2HH2 ARG 10 2HH2 ARG 10 -0.061 4.804 16.169
85 H GLN 11 H GLN 11 4.714 -0.341 8.847
86 HA GLN 11 HA GLN 11 2.801 -1.475 6.958
87 1HB GLN 11 2HB GLN 11 5.647 -1.948 7.817
88 2HB GLN 11 1HB GLN 11 4.851 -3.102 6.745
89 1HG GLN 11 2HG GLN 11 4.709 -1.596 4.999
90 2HG GLN 11 1HG GLN 11 4.630 -0.198 6.072
91 1HE2 GLN 11 1HE2 GLN 11 6.711 0.487 7.116
92 2HE2 GLN 11 2HE2 GLN 11 8.184 0.112 6.361
93 H CYS 12 H CYS 12 1.304 -3.001 7.518
94 HA CYS 12 HA CYS 12 1.633 -4.557 10.021
95 1HB CYS 12 2HB CYS 12 -0.563 -3.996 8.032
96 2HB CYS 12 1HB CYS 12 -0.748 -5.272 9.236
97 1HN NH2 13 1HT CYS 12 2.913 -6.437 9.719
98 2HN NH2 13 2HT CYS 12 2.724 -7.527 8.432
Start of MODEL 3
1 1H ACE 1 1HA ACE 1 -1.125 -4.769 11.529
2 2H ACE 1 2HA ACE 1 -1.609 -4.108 13.090
3 3H ACE 1 3HA ACE 1 0.055 -3.928 12.536
4 H CYS 2 H CYS 2 -1.368 -1.672 13.289
5 HA CYS 2 HA CYS 2 -1.987 0.472 12.505
6 1HB CYS 2 2HB CYS 2 0.240 -0.338 11.240
7 2HB CYS 2 1HB CYS 2 -0.828 -0.225 9.842
8 H ARG 3 H ARG 3 -3.093 1.564 10.479
9 HA ARG 3 HA ARG 3 -5.151 -0.311 9.389
10 1HB ARG 3 2HB ARG 3 -5.329 2.507 10.472
11 2HB ARG 3 1HB ARG 3 -6.626 1.780 9.525
12 1HG ARG 3 2HG ARG 3 -5.551 0.214 11.832
13 2HG ARG 3 1HG ARG 3 -6.578 1.601 12.191
14 1HD ARG 3 2HD ARG 3 -8.455 0.638 11.220
15 2HD ARG 3 1HD ARG 3 -7.495 -0.329 10.083
16 HE ARG 3 HE ARG 3 -6.873 -1.798 11.979
17 1HH1 ARG 3 2HH1 ARG 3 -9.898 -1.835 11.793
18 2HH1 ARG 3 1HH1 ARG 3 -10.348 -1.621 13.452
19 1HH2 ARG 3 1HH2 ARG 3 -7.214 -0.508 14.434
20 2HH2 ARG 3 2HH2 ARG 3 -8.829 -0.870 14.946
21 H TRP 4 H TRP 4 -4.665 3.090 8.715
22 HA TRP 4 HA TRP 4 -4.471 2.543 5.810
23 1HB TRP 4 2HB TRP 4 -5.819 4.352 7.208
24 2HB TRP 4 1HB TRP 4 -4.308 5.255 7.071
25 HD1 TRP 4 HD1 TRP 4 -3.360 4.490 4.234
26 HE1 TRP 4 HE1 TRP 4 -4.674 5.236 2.147
27 HE3 TRP 4 HE3 TRP 4 -7.925 5.385 6.336
28 HZ2 TRP 4 HZ2 TRP 4 -7.306 6.099 1.460
29 HZ3 TRP 4 HZ3 TRP 4 -9.819 6.169 4.942
30 HH2 TRP 4 HH2 TRP 4 -9.514 6.526 2.509
31 H LEU 5 H LEU 5 -2.464 2.375 4.837
32 HA LEU 5 HA LEU 5 -0.050 3.403 6.226
33 1HB LEU 5 2HB LEU 5 -0.540 1.746 3.730
34 2HB LEU 5 1HB LEU 5 1.067 2.174 4.322
35 HG LEU 5 HG LEU 5 -0.908 0.887 6.182
36 1HD1 LEU 5 1HD1 LEU 5 0.809 -0.484 4.098
37 2HD1 LEU 5 2HD1 LEU 5 -0.934 -0.631 4.319
38 3HD1 LEU 5 3HD1 LEU 5 0.167 -1.315 5.514
39 1HD2 LEU 5 1HD2 LEU 5 2.044 0.377 6.057
40 2HD2 LEU 5 2HD2 LEU 5 0.978 0.424 7.462
41 3HD2 LEU 5 3HD2 LEU 5 1.481 1.925 6.684
42 H ARG 6 H ARG 6 -1.374 5.639 5.614
43 HA ARG 6 HA ARG 6 -1.111 6.631 2.918
44 1HB ARG 6 2HB ARG 6 -2.591 7.478 4.796
45 2HB ARG 6 1HB ARG 6 -1.147 8.163 5.538
46 1HG ARG 6 2HG ARG 6 -0.740 9.433 3.396
47 2HG ARG 6 1HG ARG 6 -2.310 8.863 2.829
48 1HD ARG 6 2HD ARG 6 -2.118 10.225 5.508
49 2HD ARG 6 1HD ARG 6 -2.186 11.197 4.025
50 HE ARG 6 HE ARG 6 -4.214 9.484 3.555
51 1HH1 ARG 6 2HH1 ARG 6 -4.789 12.236 4.634
52 2HH1 ARG 6 1HH1 ARG 6 -5.740 11.877 6.036
53 1HH2 ARG 6 1HH2 ARG 6 -4.803 8.540 6.140
54 2HH2 ARG 6 2HH2 ARG 6 -5.747 9.784 6.889
55 H GLY 7 H GLY 7 1.082 6.341 5.612
56 1HA GLY 7 2HA GLY 7 3.143 7.942 4.136
57 2HA GLY 7 1HA GLY 7 3.159 7.655 5.881
58 H ASP 8 H ASP 8 2.509 5.308 3.277
59 HA ASP 8 HA ASP 8 3.652 3.321 2.693
60 1HB ASP 8 2HB ASP 8 5.520 5.280 2.854
61 2HB ASP 8 1HB ASP 8 6.111 4.209 4.125
62 H TRP 9 H TRP 9 5.769 2.098 4.374
63 HA TRP 9 HA TRP 9 4.009 0.849 6.367
64 1HB TRP 9 2HB TRP 9 6.146 0.108 4.798
65 2HB TRP 9 1HB TRP 9 6.875 0.232 6.392
66 HD1 TRP 9 HD1 TRP 9 5.972 -1.378 8.302
67 HE1 TRP 9 HE1 TRP 9 4.580 -3.538 8.247
68 HE3 TRP 9 HE3 TRP 9 4.130 -1.123 3.545
69 HZ2 TRP 9 HZ2 TRP 9 2.894 -4.967 6.437
70 HZ3 TRP 9 HZ3 TRP 9 2.628 -2.890 2.688
71 HH2 TRP 9 HH2 TRP 9 1.999 -4.811 4.129
72 H ARG 10 H ARG 10 5.995 3.591 6.380
73 HA ARG 10 HA ARG 10 6.849 3.350 9.200
74 1HB ARG 10 2HB ARG 10 7.136 5.497 7.077
75 2HB ARG 10 1HB ARG 10 7.897 5.561 8.668
76 1HG ARG 10 2HG ARG 10 9.019 3.388 8.176
77 2HG ARG 10 1HG ARG 10 8.334 3.438 6.551
78 1HD ARG 10 2HD ARG 10 9.466 5.872 6.561
79 2HD ARG 10 1HD ARG 10 10.544 5.068 7.721
80 HE ARG 10 HE ARG 10 10.877 3.283 5.989
81 1HH1 ARG 10 1HH2 ARG 10 8.583 4.194 4.220
82 2HH1 ARG 10 2HH2 ARG 10 9.435 4.985 2.937
83 1HH2 ARG 10 2HH1 ARG 10 12.409 5.222 4.706
84 2HH2 ARG 10 1HH1 ARG 10 11.603 5.568 3.212
85 H GLN 11 H GLN 11 4.044 3.296 9.023
86 HA GLN 11 HA GLN 11 3.213 6.062 9.795
87 1HB GLN 11 2HB GLN 11 2.047 4.800 7.943
88 2HB GLN 11 1HB GLN 11 1.519 3.636 9.160
89 1HG GLN 11 2HG GLN 11 -0.294 5.139 9.022
90 2HG GLN 11 1HG GLN 11 0.601 5.703 10.434
91 1HE2 GLN 11 1HE2 GLN 11 0.491 7.961 10.374
92 2HE2 GLN 11 2HE2 GLN 11 0.819 8.909 9.004
93 H CYS 12 H CYS 12 3.253 2.731 10.879
94 HA CYS 12 HA CYS 12 2.347 3.626 13.596
95 1HB CYS 12 2HB CYS 12 2.013 1.120 11.962
96 2HB CYS 12 1HB CYS 12 1.867 1.051 13.718
97 1HN NH2 13 1HT CYS 12 4.640 1.416 11.908
98 2HN NH2 13 2HT CYS 12 5.757 1.341 13.185
Start of MODEL 4
1 1H ACE 1 1HA ACE 1 -5.485 -6.827 10.277
2 2H ACE 1 2HA ACE 1 -5.259 -8.258 9.271
3 3H ACE 1 3HA ACE 1 -6.434 -7.027 8.803
4 H CYS 2 H CYS 2 -3.380 -6.016 10.116
5 HA CYS 2 HA CYS 2 -1.622 -4.772 9.145
6 1HB CYS 2 2HB CYS 2 -1.482 -7.177 8.200
7 2HB CYS 2 1HB CYS 2 -2.154 -6.492 6.719
8 H ARG 3 H ARG 3 -2.696 -2.731 8.922
9 HA ARG 3 HA ARG 3 -4.130 -2.202 6.360
10 1HB ARG 3 2HB ARG 3 -3.986 -1.009 9.105
11 2HB ARG 3 1HB ARG 3 -4.481 0.024 7.764
12 1HG ARG 3 2HG ARG 3 -6.156 -1.807 7.156
13 2HG ARG 3 1HG ARG 3 -5.798 -2.517 8.731
14 1HD ARG 3 2HD ARG 3 -6.799 -0.776 9.898
15 2HD ARG 3 1HD ARG 3 -6.478 0.403 8.610
16 HE ARG 3 HE ARG 3 -8.235 -0.795 7.259
17 1HH1 ARG 3 1HH2 ARG 3 -9.125 0.413 10.056
18 2HH1 ARG 3 2HH2 ARG 3 -10.301 -0.777 10.501
19 1HH2 ARG 3 2HH1 ARG 3 -9.293 -3.056 8.087
20 2HH2 ARG 3 1HH1 ARG 3 -10.396 -2.743 9.386
21 H TRP 4 H TRP 4 -3.105 -1.047 4.762
22 HA TRP 4 HA TRP 4 -0.366 -0.027 5.204
23 1HB TRP 4 2HB TRP 4 -2.242 -0.086 2.812
24 2HB TRP 4 1HB TRP 4 -0.543 0.377 2.742
25 HD1 TRP 4 HD1 TRP 4 0.600 -1.849 4.707
26 HE1 TRP 4 HE1 TRP 4 0.712 -4.295 3.907
27 HE3 TRP 4 HE3 TRP 4 -2.852 -1.706 0.940
28 HZ2 TRP 4 HZ2 TRP 4 -0.497 -5.972 1.929
29 HZ3 TRP 4 HZ3 TRP 4 -3.346 -3.741 -0.385
30 HH2 TRP 4 HH2 TRP 4 -2.175 -5.870 0.103
31 H LEU 5 H LEU 5 -0.156 2.035 6.065
32 HA LEU 5 HA LEU 5 -2.283 4.045 5.758
33 1HB LEU 5 2HB LEU 5 0.434 3.925 7.088
34 2HB LEU 5 1HB LEU 5 -0.585 5.366 7.134
35 HG LEU 5 HG LEU 5 -1.710 2.687 7.911
36 1HD1 LEU 5 1HD1 LEU 5 0.132 4.454 9.482
37 2HD1 LEU 5 2HD1 LEU 5 0.029 2.693 9.448
38 3HD1 LEU 5 3HD1 LEU 5 -1.182 3.631 10.321
39 1HD2 LEU 5 1HD2 LEU 5 -3.265 4.061 9.172
40 2HD2 LEU 5 2HD2 LEU 5 -3.173 4.691 7.528
41 3HD2 LEU 5 3HD2 LEU 5 -2.318 5.511 8.836
42 H ARG 6 H ARG 6 -1.688 6.273 4.928
43 HA ARG 6 HA ARG 6 -0.521 6.122 2.281
44 1HB ARG 6 2HB ARG 6 -1.535 8.271 4.141
45 2HB ARG 6 1HB ARG 6 -0.761 8.714 2.621
46 1HG ARG 6 2HG ARG 6 -2.386 7.225 1.425
47 2HG ARG 6 1HG ARG 6 -3.212 6.964 2.962
48 1HD ARG 6 2HD ARG 6 -4.445 8.780 2.224
49 2HD ARG 6 1HD ARG 6 -3.104 9.674 2.969
50 HE ARG 6 HE ARG 6 -2.026 9.703 0.699
51 1HH1 ARG 6 1HH2 ARG 6 -5.118 10.673 1.042
52 2HH1 ARG 6 2HH2 ARG 6 -5.628 10.377 -0.588
53 1HH2 ARG 6 2HH1 ARG 6 -2.784 8.584 -1.434
54 2HH2 ARG 6 1HH1 ARG 6 -4.306 9.195 -1.988
55 H GLY 7 H GLY 7 0.691 6.891 5.464
56 1HA GLY 7 2HA GLY 7 3.243 7.945 4.338
57 2HA GLY 7 1HA GLY 7 2.748 8.041 6.031
58 H ASP 8 H ASP 8 2.446 5.095 4.115
59 HA ASP 8 HA ASP 8 4.834 3.914 5.488
60 1HB ASP 8 2HB ASP 8 2.691 3.647 6.831
61 2HB ASP 8 1HB ASP 8 2.074 2.667 5.500
62 H TRP 9 H TRP 9 5.858 2.402 4.208
63 HA TRP 9 HA TRP 9 4.786 1.951 1.493
64 1HB TRP 9 2HB TRP 9 7.390 1.849 2.909
65 2HB TRP 9 1HB TRP 9 7.207 0.811 1.494
66 HD1 TRP 9 HD1 TRP 9 7.428 1.985 -0.820
67 HE1 TRP 9 HE1 TRP 9 7.481 4.432 -1.614
68 HE3 TRP 9 HE3 TRP 9 6.302 4.333 3.544
69 HZ2 TRP 9 HZ2 TRP 9 7.080 7.059 -0.533
70 HZ3 TRP 9 HZ3 TRP 9 6.136 6.804 3.652
71 HH2 TRP 9 HH2 TRP 9 6.516 8.171 1.618
72 H ARG 10 H ARG 10 6.840 -0.539 2.622
73 HA ARG 10 HA ARG 10 4.570 -2.469 2.581
74 1HB ARG 10 2HB ARG 10 6.746 -2.487 1.120
75 2HB ARG 10 1HB ARG 10 7.496 -3.162 2.568
76 1HG ARG 10 2HG ARG 10 6.359 -5.140 2.401
77 2HG ARG 10 1HG ARG 10 4.908 -4.370 1.760
78 1HD ARG 10 2HD ARG 10 5.984 -4.117 -0.442
79 2HD ARG 10 1HD ARG 10 7.470 -4.851 0.193
80 HE ARG 10 HE ARG 10 4.992 -6.425 0.541
81 1HH1 ARG 10 1HH2 ARG 10 8.164 -6.930 0.262
82 2HH1 ARG 10 2HH2 ARG 10 8.121 -7.993 -1.104
83 1HH2 ARG 10 2HH1 ARG 10 4.807 -7.319 -1.863
84 2HH2 ARG 10 1HH1 ARG 10 6.221 -8.215 -2.306
85 H GLN 11 H GLN 11 4.726 -1.070 5.009
86 HA GLN 11 HA GLN 11 6.199 -2.865 6.899
87 1HB GLN 11 2HB GLN 11 6.288 -0.281 6.821
88 2HB GLN 11 1HB GLN 11 4.684 -0.341 7.553
89 1HG GLN 11 2HG GLN 11 5.498 -1.483 9.483
90 2HG GLN 11 1HG GLN 11 7.044 -1.837 8.710
91 1HE2 GLN 11 1HE2 GLN 11 8.557 -0.598 9.860
92 2HE2 GLN 11 2HE2 GLN 11 8.399 1.063 10.171
93 H CYS 12 H CYS 12 5.043 -4.461 7.952
94 HA CYS 12 HA CYS 12 2.059 -4.166 8.136
95 1HB CYS 12 2HB CYS 12 3.179 -6.078 6.849
96 2HB CYS 12 1HB CYS 12 3.714 -6.686 8.416
97 1HN NH2 13 1HT CYS 12 1.418 -3.553 10.229
98 2HN NH2 13 2HT CYS 12 2.171 -4.052 11.667
Start of MODEL 5
1 1H ACE 1 1HA ACE 1 -3.974 2.700 14.532
2 2H ACE 1 2HA ACE 1 -3.335 4.336 14.679
3 3H ACE 1 3HA ACE 1 -2.520 3.162 13.648
4 H CYS 2 H CYS 2 -2.795 4.805 11.925
5 HA CYS 2 HA CYS 2 -5.222 5.840 10.987
6 1HB CYS 2 2HB CYS 2 -2.569 5.087 9.810
7 2HB CYS 2 1HB CYS 2 -3.856 5.609 8.720
8 H ARG 3 H ARG 3 -6.537 5.099 9.091
9 HA ARG 3 HA ARG 3 -7.150 2.220 9.302
10 1HB ARG 3 2HB ARG 3 -8.309 4.646 7.913
11 2HB ARG 3 1HB ARG 3 -8.937 3.031 7.595
12 1HG ARG 3 2HG ARG 3 -9.685 2.751 9.819
13 2HG ARG 3 1HG ARG 3 -8.670 4.065 10.417
14 1HD ARG 3 2HD ARG 3 -10.057 5.632 8.932
15 2HD ARG 3 1HD ARG 3 -11.194 4.280 8.754
16 HE ARG 3 HE ARG 3 -10.360 5.155 11.483
17 1HH1 ARG 3 2HH1 ARG 3 -12.363 3.034 11.346
18 2HH1 ARG 3 1HH1 ARG 3 -13.866 3.891 11.417
19 1HH2 ARG 3 1HH2 ARG 3 -12.466 6.954 10.589
20 2HH2 ARG 3 2HH2 ARG 3 -13.925 6.109 10.989
21 H TRP 4 H TRP 4 -4.960 4.001 7.528
22 HA TRP 4 HA TRP 4 -4.622 1.836 5.565
23 1HB TRP 4 2HB TRP 4 -6.397 3.726 4.881
24 2HB TRP 4 1HB TRP 4 -4.935 4.605 4.431
25 HD1 TRP 4 HD1 TRP 4 -5.699 0.822 4.057
26 HE1 TRP 4 HE1 TRP 4 -5.360 0.179 1.580
27 HE3 TRP 4 HE3 TRP 4 -4.674 5.413 2.081
28 HZ2 TRP 4 HZ2 TRP 4 -4.738 1.456 -0.916
29 HZ3 TRP 4 HZ3 TRP 4 -4.213 5.680 -0.339
30 HH2 TRP 4 HH2 TRP 4 -4.245 3.709 -1.839
31 H LEU 5 H LEU 5 -2.556 2.053 4.438
32 HA LEU 5 HA LEU 5 -0.478 3.254 6.077
33 1HB LEU 5 2HB LEU 5 -0.499 2.027 3.293
34 2HB LEU 5 1HB LEU 5 0.959 2.384 4.216
35 HG LEU 5 HG LEU 5 -1.174 0.701 5.485
36 1HD1 LEU 5 1HD1 LEU 5 0.856 -0.241 3.437
37 2HD1 LEU 5 2HD1 LEU 5 -0.898 -0.361 3.316
38 3HD1 LEU 5 3HD1 LEU 5 -0.029 -1.317 4.516
39 1HD2 LEU 5 1HD2 LEU 5 1.038 1.607 6.542
40 2HD2 LEU 5 2HD2 LEU 5 1.816 0.345 5.587
41 3HD2 LEU 5 3HD2 LEU 5 0.611 -0.084 6.801
42 H ARG 6 H ARG 6 -1.237 5.523 6.002
43 HA ARG 6 HA ARG 6 -1.530 7.039 3.589
44 1HB ARG 6 2HB ARG 6 -2.006 7.428 6.196
45 2HB ARG 6 1HB ARG 6 -0.444 8.243 6.110
46 1HG ARG 6 2HG ARG 6 -1.817 10.014 5.565
47 2HG ARG 6 1HG ARG 6 -1.559 9.352 3.950
48 1HD ARG 6 2HD ARG 6 -3.697 8.411 3.851
49 2HD ARG 6 1HD ARG 6 -3.843 8.313 5.617
50 HE ARG 6 HE ARG 6 -3.667 10.989 5.300
51 1HH1 ARG 6 1HH2 ARG 6 -4.443 10.370 2.375
52 2HH1 ARG 6 2HH2 ARG 6 -6.151 10.660 2.436
53 1HH2 ARG 6 2HH1 ARG 6 -6.304 10.606 5.900
54 2HH2 ARG 6 1HH1 ARG 6 -7.204 10.794 4.432
55 H GLY 7 H GLY 7 1.259 6.821 5.844
56 1HA GLY 7 2HA GLY 7 2.990 7.988 3.718
57 2HA GLY 7 1HA GLY 7 3.418 7.841 5.423
58 H ASP 8 H ASP 8 1.912 5.113 3.857
59 HA ASP 8 HA ASP 8 2.754 2.958 3.416
60 1HB ASP 8 2HB ASP 8 4.828 4.902 2.461
61 2HB ASP 8 1HB ASP 8 5.205 3.180 2.419
62 H TRP 9 H TRP 9 5.994 4.108 4.218
63 HA TRP 9 HA TRP 9 6.131 2.121 6.402
64 1HB TRP 9 2HB TRP 9 7.869 3.417 4.499
65 2HB TRP 9 1HB TRP 9 8.545 3.533 6.120
66 HD1 TRP 9 HD1 TRP 9 7.594 0.989 3.451
67 HE1 TRP 9 HE1 TRP 9 8.483 -1.328 4.120
68 HE3 TRP 9 HE3 TRP 9 9.084 1.955 8.242
69 HZ2 TRP 9 HZ2 TRP 9 9.662 -2.614 6.376
70 HZ3 TRP 9 HZ3 TRP 9 10.080 0.153 9.633
71 HH2 TRP 9 HH2 TRP 9 10.362 -2.132 8.703
72 H ARG 10 H ARG 10 5.024 5.231 6.337
73 HA ARG 10 HA ARG 10 6.384 6.093 8.853
74 1HB ARG 10 2HB ARG 10 6.107 7.479 6.696
75 2HB ARG 10 1HB ARG 10 4.416 7.643 7.174
76 1HG ARG 10 2HG ARG 10 4.935 8.866 9.090
77 2HG ARG 10 1HG ARG 10 6.579 8.232 9.171
78 1HD ARG 10 2HD ARG 10 5.857 9.834 6.752
79 2HD ARG 10 1HD ARG 10 6.109 10.709 8.276
80 HE ARG 10 HE ARG 10 8.136 8.908 7.010
81 1HH1 ARG 10 1HH2 ARG 10 7.779 9.823 10.077
82 2HH1 ARG 10 2HH2 ARG 10 9.119 10.916 10.163
83 1HH2 ARG 10 2HH1 ARG 10 9.619 10.992 6.733
84 2HH2 ARG 10 1HH1 ARG 10 10.162 11.578 8.270
85 H GLN 11 H GLN 11 5.285 6.040 10.805
86 HA GLN 11 HA GLN 11 2.463 5.116 10.818
87 1HB GLN 11 2HB GLN 11 4.325 4.135 12.215
88 2HB GLN 11 1HB GLN 11 4.377 5.656 13.106
89 1HG GLN 11 2HG GLN 11 2.020 5.384 13.741
90 2HG GLN 11 1HG GLN 11 1.936 3.879 12.822
91 1HE2 GLN 11 1HE2 GLN 11 2.986 5.308 15.834
92 2HE2 GLN 11 2HE2 GLN 11 3.586 3.881 16.530
93 H CYS 12 H CYS 12 0.769 6.538 11.197
94 HA CYS 12 HA CYS 12 1.349 9.382 11.689
95 1HB CYS 12 2HB CYS 12 -1.098 9.588 11.365
96 2HB CYS 12 1HB CYS 12 -0.369 8.618 10.087
97 1HN NH2 13 1HT CYS 12 -0.122 10.495 13.482
98 2HN NH2 13 2HT CYS 12 -0.193 9.700 14.980
Start of MODEL 6
1 1H ACE 1 1HA ACE 1 -9.768 3.089 15.227
2 2H ACE 1 2HA ACE 1 -10.453 4.447 14.335
3 3H ACE 1 3HA ACE 1 -9.706 4.715 15.910
4 H CYS 2 H CYS 2 -8.728 3.097 12.863
5 HA CYS 2 HA CYS 2 -6.262 4.737 12.886
6 1HB CYS 2 2HB CYS 2 -6.626 1.752 12.679
7 2HB CYS 2 1HB CYS 2 -5.159 2.537 12.093
8 H ARG 3 H ARG 3 -5.255 4.913 10.733
9 HA ARG 3 HA ARG 3 -7.279 4.664 8.552
10 1HB ARG 3 2HB ARG 3 -4.978 6.470 9.213
11 2HB ARG 3 1HB ARG 3 -5.459 6.297 7.524
12 1HG ARG 3 2HG ARG 3 -7.885 6.677 8.503
13 2HG ARG 3 1HG ARG 3 -7.003 7.442 9.824
14 1HD ARG 3 2HD ARG 3 -7.361 9.241 8.339
15 2HD ARG 3 1HD ARG 3 -5.736 8.694 7.877
16 HE ARG 3 HE ARG 3 -6.702 7.557 5.962
17 1HH1 ARG 3 2HH1 ARG 3 -9.344 6.786 7.089
18 2HH1 ARG 3 1HH1 ARG 3 -10.428 7.869 6.281
19 1HH2 ARG 3 1HH2 ARG 3 -7.923 10.044 5.270
20 2HH2 ARG 3 2HH2 ARG 3 -9.623 9.713 5.250
21 H TRP 4 H TRP 4 -5.765 4.654 6.319
22 HA TRP 4 HA TRP 4 -4.533 1.969 6.323
23 1HB TRP 4 2HB TRP 4 -5.350 4.080 4.343
24 2HB TRP 4 1HB TRP 4 -4.249 2.805 3.823
25 HD1 TRP 4 HD1 TRP 4 -5.390 0.351 5.360
26 HE1 TRP 4 HE1 TRP 4 -7.700 -0.622 4.761
27 HE3 TRP 4 HE3 TRP 4 -7.475 4.382 3.022
28 HZ2 TRP 4 HZ2 TRP 4 -10.106 0.192 3.459
29 HZ3 TRP 4 HZ3 TRP 4 -9.776 4.255 2.107
30 HH2 TRP 4 HH2 TRP 4 -11.091 2.165 2.324
31 H LEU 5 H LEU 5 -2.517 2.210 4.469
32 HA LEU 5 HA LEU 5 -0.332 3.375 6.032
33 1HB LEU 5 2HB LEU 5 -0.540 2.072 3.294
34 2HB LEU 5 1HB LEU 5 0.987 2.486 4.071
35 HG LEU 5 HG LEU 5 -0.982 0.857 5.626
36 1HD1 LEU 5 1HD1 LEU 5 -0.209 -1.209 4.594
37 2HD1 LEU 5 2HD1 LEU 5 0.866 -0.310 3.521
38 3HD1 LEU 5 3HD1 LEU 5 -0.882 -0.169 3.339
39 1HD2 LEU 5 1HD2 LEU 5 1.312 -0.228 6.214
40 2HD2 LEU 5 2HD2 LEU 5 0.978 1.393 6.824
41 3HD2 LEU 5 3HD2 LEU 5 2.010 1.177 5.409
42 H ARG 6 H ARG 6 -1.251 5.646 5.908
43 HA ARG 6 HA ARG 6 -1.496 7.079 3.423
44 1HB ARG 6 2HB ARG 6 -2.261 7.548 5.893
45 2HB ARG 6 1HB ARG 6 -0.677 8.307 6.048
46 1HG ARG 6 2HG ARG 6 -1.357 9.518 3.812
47 2HG ARG 6 1HG ARG 6 -2.996 9.110 4.322
48 1HD ARG 6 2HD ARG 6 -2.933 10.538 6.141
49 2HD ARG 6 1HD ARG 6 -1.186 10.323 6.374
50 HE ARG 6 HE ARG 6 -2.437 12.273 4.594
51 1HH1 ARG 6 2HH1 ARG 6 0.104 12.756 6.095
52 2HH1 ARG 6 1HH1 ARG 6 1.293 12.675 4.839
53 1HH2 ARG 6 1HH2 ARG 6 -0.816 11.103 2.579
54 2HH2 ARG 6 2HH2 ARG 6 0.773 11.739 2.849
55 H GLY 7 H GLY 7 1.220 6.307 5.508
56 1HA GLY 7 2HA GLY 7 3.035 7.673 3.553
57 2HA GLY 7 1HA GLY 7 3.316 7.793 5.296
58 H ASP 8 H ASP 8 2.058 4.847 3.853
59 HA ASP 8 HA ASP 8 2.992 2.672 3.785
60 1HB ASP 8 2HB ASP 8 5.194 4.568 3.005
61 2HB ASP 8 1HB ASP 8 5.532 2.842 3.122
62 H TRP 9 H TRP 9 3.075 4.287 6.388
63 HA TRP 9 HA TRP 9 5.514 3.361 7.752
64 1HB TRP 9 2HB TRP 9 3.582 5.362 8.039
65 2HB TRP 9 1HB TRP 9 3.353 4.303 9.433
66 HD1 TRP 9 HD1 TRP 9 5.338 4.122 11.192
67 HE1 TRP 9 HE1 TRP 9 7.501 5.469 11.554
68 HE3 TRP 9 HE3 TRP 9 5.572 6.644 6.751
69 HZ2 TRP 9 HZ2 TRP 9 9.124 7.352 10.148
70 HZ3 TRP 9 HZ3 TRP 9 7.444 8.201 6.292
71 HH2 TRP 9 HH2 TRP 9 9.222 8.552 7.983
72 H ARG 10 H ARG 10 4.437 2.620 10.240
73 HA ARG 10 HA ARG 10 3.906 -0.187 9.883
74 1HB ARG 10 2HB ARG 10 3.593 -0.088 12.343
75 2HB ARG 10 1HB ARG 10 5.007 0.838 11.843
76 1HG ARG 10 2HG ARG 10 3.661 2.913 11.889
77 2HG ARG 10 1HG ARG 10 2.255 1.987 12.407
78 1HD ARG 10 2HD ARG 10 3.069 1.702 14.550
79 2HD ARG 10 1HD ARG 10 4.763 1.707 14.018
80 HE ARG 10 HE ARG 10 4.089 4.235 13.402
81 1HH1 ARG 10 1HH2 ARG 10 1.922 3.128 15.564
82 2HH1 ARG 10 2HH2 ARG 10 2.414 4.115 16.900
83 1HH2 ARG 10 2HH1 ARG 10 5.342 5.177 15.373
84 2HH2 ARG 10 1HH1 ARG 10 4.353 5.277 16.792
85 H GLN 11 H GLN 11 1.955 -1.343 10.119
86 HA GLN 11 HA GLN 11 -0.514 0.153 9.527
87 1HB GLN 11 2HB GLN 11 0.260 -2.764 9.756
88 2HB GLN 11 1HB GLN 11 -1.366 -2.230 9.331
89 1HG GLN 11 2HG GLN 11 -0.383 -0.908 7.445
90 2HG GLN 11 1HG GLN 11 1.189 -1.612 7.826
91 1HE2 GLN 11 1HE2 GLN 11 -2.112 -3.062 7.681
92 2HE2 GLN 11 2HE2 GLN 11 -1.683 -4.289 6.590
93 H CYS 12 H CYS 12 -2.471 -0.094 10.785
94 HA CYS 12 HA CYS 12 -1.983 -0.411 13.704
95 1HB CYS 12 2HB CYS 12 -3.108 1.596 12.554
96 2HB CYS 12 1HB CYS 12 -4.483 0.525 12.285
97 1HN NH2 13 1HT CYS 12 -2.174 -2.673 14.187
98 2HN NH2 13 2HT CYS 12 -3.531 -3.607 13.779
Start of MODEL 7
1 1H ACE 1 1HA ACE 1 -8.407 -0.624 13.619
2 2H ACE 1 2HA ACE 1 -7.325 0.148 14.779
3 3H ACE 1 3HA ACE 1 -6.856 -1.368 14.009
4 H CYS 2 H CYS 2 -5.150 0.825 13.863
5 HA CYS 2 HA CYS 2 -5.496 2.479 11.571
6 1HB CYS 2 2HB CYS 2 -3.047 2.873 11.888
7 2HB CYS 2 1HB CYS 2 -3.958 3.000 13.390
8 H ARG 3 H ARG 3 -6.273 0.749 10.029
9 HA ARG 3 HA ARG 3 -4.148 -1.044 8.971
10 1HB ARG 3 2HB ARG 3 -7.130 -0.788 8.828
11 2HB ARG 3 1HB ARG 3 -6.308 -1.627 7.514
12 1HG ARG 3 2HG ARG 3 -6.162 -3.469 8.797
13 2HG ARG 3 1HG ARG 3 -5.173 -2.572 9.948
14 1HD ARG 3 2HD ARG 3 -7.135 -3.471 11.113
15 2HD ARG 3 1HD ARG 3 -7.308 -1.708 10.996
16 HE ARG 3 HE ARG 3 -8.463 -3.309 8.788
17 1HH1 ARG 3 2HH1 ARG 3 -8.839 -0.444 10.287
18 2HH1 ARG 3 1HH1 ARG 3 -10.526 -0.597 10.648
19 1HH2 ARG 3 1HH2 ARG 3 -10.662 -3.968 9.848
20 2HH2 ARG 3 2HH2 ARG 3 -11.558 -2.593 10.400
21 H TRP 4 H TRP 4 -4.214 1.977 8.578
22 HA TRP 4 HA TRP 4 -4.362 2.031 5.565
23 1HB TRP 4 2HB TRP 4 -5.157 3.872 7.772
24 2HB TRP 4 1HB TRP 4 -4.472 4.625 6.333
25 HD1 TRP 4 HD1 TRP 4 -6.769 1.518 6.510
26 HE1 TRP 4 HE1 TRP 4 -8.854 2.007 5.073
27 HE3 TRP 4 HE3 TRP 4 -5.813 6.352 5.184
28 HZ2 TRP 4 HZ2 TRP 4 -9.971 4.159 3.569
29 HZ3 TRP 4 HZ3 TRP 4 -7.403 7.601 3.750
30 HH2 TRP 4 HH2 TRP 4 -9.477 6.508 2.945
31 H LEU 5 H LEU 5 -2.461 2.543 4.521
32 HA LEU 5 HA LEU 5 -0.134 3.403 6.200
33 1HB LEU 5 2HB LEU 5 1.199 2.258 4.433
34 2HB LEU 5 1HB LEU 5 0.037 1.172 5.193
35 HG LEU 5 HG LEU 5 -1.000 2.634 2.843
36 1HD1 LEU 5 1HD1 LEU 5 1.346 0.749 2.676
37 2HD1 LEU 5 2HD1 LEU 5 1.091 2.273 1.827
38 3HD1 LEU 5 3HD1 LEU 5 0.173 0.841 1.361
39 1HD2 LEU 5 1HD2 LEU 5 -2.249 0.697 2.575
40 2HD2 LEU 5 2HD2 LEU 5 -1.914 0.598 4.303
41 3HD2 LEU 5 3HD2 LEU 5 -0.953 -0.344 3.164
42 H ARG 6 H ARG 6 -1.401 5.609 5.660
43 HA ARG 6 HA ARG 6 -1.244 6.749 3.034
44 1HB ARG 6 2HB ARG 6 -1.445 7.735 5.875
45 2HB ARG 6 1HB ARG 6 -1.209 8.905 4.574
46 1HG ARG 6 2HG ARG 6 -3.224 8.239 3.479
47 2HG ARG 6 1HG ARG 6 -3.384 6.807 4.494
48 1HD ARG 6 2HD ARG 6 -4.883 8.259 5.552
49 2HD ARG 6 1HD ARG 6 -3.397 8.624 6.451
50 HE ARG 6 HE ARG 6 -4.578 10.313 4.318
51 1HH1 ARG 6 2HH1 ARG 6 -3.760 11.170 7.144
52 2HH1 ARG 6 1HH1 ARG 6 -2.315 12.065 6.807
53 1HH2 ARG 6 1HH2 ARG 6 -1.959 10.796 3.600
54 2HH2 ARG 6 2HH2 ARG 6 -1.296 11.854 4.800
55 H GLY 7 H GLY 7 1.074 6.579 5.714
56 1HA GLY 7 2HA GLY 7 3.081 8.049 4.042
57 2HA GLY 7 1HA GLY 7 3.171 7.862 5.795
58 H ASP 8 H ASP 8 2.348 5.279 3.536
59 HA ASP 8 HA ASP 8 3.438 3.261 3.003
60 1HB ASP 8 2HB ASP 8 5.347 5.300 2.915
61 2HB ASP 8 1HB ASP 8 6.101 4.054 3.910
62 H TRP 9 H TRP 9 5.472 4.346 5.740
63 HA TRP 9 HA TRP 9 4.688 1.832 7.199
64 1HB TRP 9 2HB TRP 9 7.158 3.265 6.640
65 2HB TRP 9 1HB TRP 9 6.958 2.962 8.356
66 HD1 TRP 9 HD1 TRP 9 7.282 0.510 9.175
67 HE1 TRP 9 HE1 TRP 9 7.778 -1.725 8.016
68 HE3 TRP 9 HE3 TRP 9 6.582 1.883 4.324
69 HZ2 TRP 9 HZ2 TRP 9 7.855 -2.806 5.359
70 HZ3 TRP 9 HZ3 TRP 9 6.863 0.239 2.493
71 HH2 TRP 9 HH2 TRP 9 7.492 -2.106 3.004
72 H ARG 10 H ARG 10 3.252 2.249 8.848
73 HA ARG 10 HA ARG 10 3.302 4.930 10.186
74 1HB ARG 10 2HB ARG 10 1.282 3.353 9.061
75 2HB ARG 10 1HB ARG 10 1.070 3.159 10.801
76 1HG ARG 10 2HG ARG 10 1.466 5.810 10.748
77 2HG ARG 10 1HG ARG 10 0.814 5.611 9.121
78 1HD ARG 10 2HD ARG 10 -1.147 5.924 10.381
79 2HD ARG 10 1HD ARG 10 -1.018 4.152 10.372
80 HE ARG 10 HE ARG 10 0.246 4.423 12.578
81 1HH1 ARG 10 1HH2 ARG 10 -2.807 5.141 12.521
82 2HH1 ARG 10 2HH2 ARG 10 -2.799 6.512 13.579
83 1HH2 ARG 10 2HH1 ARG 10 0.643 6.917 13.461
84 2HH2 ARG 10 1HH1 ARG 10 -0.846 7.518 14.111
85 H GLN 11 H GLN 11 3.686 5.051 12.398
86 HA GLN 11 HA GLN 11 4.814 2.684 13.726
87 1HB GLN 11 2HB GLN 11 5.321 4.361 15.478
88 2HB GLN 11 1HB GLN 11 5.783 4.954 13.884
89 1HG GLN 11 2HG GLN 11 3.146 5.788 14.121
90 2HG GLN 11 1HG GLN 11 3.784 6.003 15.751
91 1HE2 GLN 11 1HE2 GLN 11 4.240 6.992 12.357
92 2HE2 GLN 11 2HE2 GLN 11 5.207 8.342 12.707
93 H CYS 12 H CYS 12 2.597 1.530 13.622
94 HA CYS 12 HA CYS 12 0.526 2.468 15.487
95 1HB CYS 12 2HB CYS 12 0.982 0.118 13.658
96 2HB CYS 12 1HB CYS 12 -0.340 0.083 14.825
97 1HN NH2 13 1HT CYS 12 1.474 2.398 17.634
98 2HN NH2 13 2HT CYS 12 1.980 0.949 18.359
Start of MODEL 8
1 1H ACE 1 1HA ACE 1 -3.654 -7.151 7.253
2 2H ACE 1 2HA ACE 1 -2.358 -8.039 8.052
3 3H ACE 1 3HA ACE 1 -2.485 -8.056 6.292
4 H CYS 2 H CYS 2 -0.558 -6.885 8.567
5 HA CYS 2 HA CYS 2 0.923 -5.049 8.711
6 1HB CYS 2 2HB CYS 2 0.225 -5.376 5.802
7 2HB CYS 2 1HB CYS 2 1.314 -4.084 6.307
8 H ARG 3 H ARG 3 1.056 -2.574 7.813
9 HA ARG 3 HA ARG 3 -1.649 -1.374 8.337
10 1HB ARG 3 2HB ARG 3 1.196 -0.588 8.989
11 2HB ARG 3 1HB ARG 3 -0.137 0.562 9.116
12 1HG ARG 3 2HG ARG 3 -0.240 -0.282 11.248
13 2HG ARG 3 1HG ARG 3 -1.233 -1.503 10.452
14 1HD ARG 3 2HD ARG 3 0.795 -2.923 10.143
15 2HD ARG 3 1HD ARG 3 1.743 -1.716 11.036
16 HE ARG 3 HE ARG 3 -0.355 -3.458 12.189
17 1HH1 ARG 3 2HH1 ARG 3 2.557 -2.685 13.100
18 2HH1 ARG 3 1HH1 ARG 3 2.176 -1.812 14.546
19 1HH2 ARG 3 1HH2 ARG 3 -1.194 -1.505 13.792
20 2HH2 ARG 3 2HH2 ARG 3 0.052 -1.144 14.939
21 H TRP 4 H TRP 4 -2.420 -0.885 6.271
22 HA TRP 4 HA TRP 4 -0.635 0.206 4.179
23 1HB TRP 4 2HB TRP 4 -2.740 -1.439 4.126
24 2HB TRP 4 1HB TRP 4 -3.620 0.083 3.969
25 HD1 TRP 4 HD1 TRP 4 -1.758 1.762 2.202
26 HE1 TRP 4 HE1 TRP 4 -1.268 1.106 -0.241
27 HE3 TRP 4 HE3 TRP 4 -2.954 -3.204 2.362
28 HZ2 TRP 4 HZ2 TRP 4 -1.370 -1.217 -1.913
29 HZ3 TRP 4 HZ3 TRP 4 -2.750 -4.611 0.331
30 HH2 TRP 4 HH2 TRP 4 -1.962 -3.624 -1.801
31 H LEU 5 H LEU 5 -0.291 2.193 5.823
32 HA LEU 5 HA LEU 5 -2.520 4.146 5.741
33 1HB LEU 5 2HB LEU 5 0.134 3.843 7.102
34 2HB LEU 5 1HB LEU 5 -0.631 5.434 7.046
35 HG LEU 5 HG LEU 5 -2.316 3.093 7.822
36 1HD1 LEU 5 1HD1 LEU 5 -0.056 3.069 9.101
37 2HD1 LEU 5 2HD1 LEU 5 -1.547 3.007 10.042
38 3HD1 LEU 5 3HD1 LEU 5 -0.662 4.525 9.891
39 1HD2 LEU 5 1HD2 LEU 5 -3.345 5.287 7.581
40 2HD2 LEU 5 2HD2 LEU 5 -2.143 6.005 8.655
41 3HD2 LEU 5 3HD2 LEU 5 -3.318 4.854 9.290
42 H ARG 6 H ARG 6 -1.709 6.520 5.253
43 HA ARG 6 HA ARG 6 -0.928 6.647 2.474
44 1HB ARG 6 2HB ARG 6 -0.943 9.100 2.945
45 2HB ARG 6 1HB ARG 6 -2.376 8.302 3.596
46 1HG ARG 6 2HG ARG 6 -0.737 8.061 5.728
47 2HG ARG 6 1HG ARG 6 -0.076 9.536 5.028
48 1HD ARG 6 2HD ARG 6 -2.729 10.099 4.856
49 2HD ARG 6 1HD ARG 6 -2.714 9.079 6.309
50 HE ARG 6 HE ARG 6 -0.646 10.650 6.907
51 1HH1 ARG 6 1HH2 ARG 6 -3.655 11.317 7.520
52 2HH1 ARG 6 2HH2 ARG 6 -3.656 13.006 7.138
53 1HH2 ARG 6 2HH1 ARG 6 -0.614 12.909 5.480
54 2HH2 ARG 6 1HH1 ARG 6 -1.937 13.907 5.985
55 H GLY 7 H GLY 7 0.793 6.793 5.505
56 1HA GLY 7 2HA GLY 7 3.339 7.417 4.052
57 2HA GLY 7 1HA GLY 7 3.077 7.702 5.778
58 H ASP 8 H ASP 8 2.271 4.841 3.796
59 HA ASP 8 HA ASP 8 3.308 3.045 5.852
60 1HB ASP 8 2HB ASP 8 2.696 1.337 4.140
61 2HB ASP 8 1HB ASP 8 1.397 2.500 4.409
62 H TRP 9 H TRP 9 5.114 1.617 5.601
63 HA TRP 9 HA TRP 9 7.284 2.714 3.895
64 1HB TRP 9 2HB TRP 9 7.008 1.716 6.560
65 2HB TRP 9 1HB TRP 9 8.187 0.726 5.696
66 HD1 TRP 9 HD1 TRP 9 10.466 1.827 5.043
67 HE1 TRP 9 HE1 TRP 9 11.541 4.109 5.507
68 HE3 TRP 9 HE3 TRP 9 6.411 4.375 6.809
69 HZ2 TRP 9 HZ2 TRP 9 10.796 6.686 6.483
70 HZ3 TRP 9 HZ3 TRP 9 6.621 6.746 7.492
71 HH2 TRP 9 HH2 TRP 9 8.806 7.909 7.327
72 H ARG 10 H ARG 10 6.868 -0.543 5.118
73 HA ARG 10 HA ARG 10 7.785 -1.768 2.637
74 1HB ARG 10 2HB ARG 10 6.670 -2.766 5.267
75 2HB ARG 10 1HB ARG 10 7.241 -3.850 3.997
76 1HG ARG 10 2HG ARG 10 9.418 -2.471 4.049
77 2HG ARG 10 1HG ARG 10 8.823 -1.824 5.578
78 1HD ARG 10 2HD ARG 10 8.468 -4.329 6.236
79 2HD ARG 10 1HD ARG 10 9.607 -4.657 4.914
80 HE ARG 10 HE ARG 10 10.934 -2.695 6.204
81 1HH1 ARG 10 1HH2 ARG 10 11.012 -5.848 6.692
82 2HH1 ARG 10 2HH2 ARG 10 11.191 -5.839 8.415
83 1HH2 ARG 10 2HH1 ARG 10 10.389 -2.481 8.744
84 2HH2 ARG 10 1HH1 ARG 10 10.838 -3.933 9.577
85 H GLN 11 H GLN 11 6.541 -2.736 1.044
86 HA GLN 11 HA GLN 11 3.619 -2.308 1.129
87 1HB GLN 11 2HB GLN 11 5.674 -3.160 -0.912
88 2HB GLN 11 1HB GLN 11 3.945 -3.258 -1.261
89 1HG GLN 11 2HG GLN 11 3.650 -0.911 -0.973
90 2HG GLN 11 1HG GLN 11 5.237 -0.730 -0.226
91 1HE2 GLN 11 1HE2 GLN 11 6.386 0.530 -1.724
92 2HE2 GLN 11 2HE2 GLN 11 6.551 0.148 -3.369
93 H CYS 12 H CYS 12 2.667 -3.906 2.446
94 HA CYS 12 HA CYS 12 3.557 -6.701 2.324
95 1HB CYS 12 2HB CYS 12 1.426 -5.108 3.744
96 2HB CYS 12 1HB CYS 12 1.405 -6.871 3.804
97 1HN NH2 13 1HT CYS 12 1.356 -8.277 2.172
98 2HN NH2 13 2HT CYS 12 0.500 -8.053 0.724
Start of MODEL 9
1 1H ACE 1 1HA ACE 1 7.160 -6.358 4.315
2 2H ACE 1 2HA ACE 1 7.775 -4.922 3.498
3 3H ACE 1 3HA ACE 1 6.344 -5.746 2.876
4 H CYS 2 H CYS 2 7.544 -3.519 5.273
5 HA CYS 2 HA CYS 2 5.350 -3.319 7.019
6 1HB CYS 2 2HB CYS 2 7.438 -1.421 5.981
7 2HB CYS 2 1HB CYS 2 6.224 -0.867 7.133
8 H ARG 3 H ARG 3 3.348 -3.447 5.911
9 HA ARG 3 HA ARG 3 2.738 -1.337 3.906
10 1HB ARG 3 2HB ARG 3 1.456 -3.923 4.804
11 2HB ARG 3 1HB ARG 3 0.615 -2.796 3.741
12 1HG ARG 3 2HG ARG 3 2.434 -2.941 2.103
13 2HG ARG 3 1HG ARG 3 3.337 -4.011 3.177
14 1HD ARG 3 2HD ARG 3 1.357 -5.608 3.089
15 2HD ARG 3 1HD ARG 3 0.701 -4.592 1.790
16 HE ARG 3 HE ARG 3 3.204 -4.982 0.862
17 1HH1 ARG 3 2HH1 ARG 3 0.684 -6.719 0.199
18 2HH1 ARG 3 1HH1 ARG 3 1.386 -8.300 0.296
19 1HH2 ARG 3 1HH2 ARG 3 4.256 -7.216 1.912
20 2HH2 ARG 3 2HH2 ARG 3 3.408 -8.580 1.266
21 H TRP 4 H TRP 4 1.317 0.311 4.376
22 HA TRP 4 HA TRP 4 -0.422 0.203 6.768
23 1HB TRP 4 2HB TRP 4 2.137 1.003 7.125
24 2HB TRP 4 1HB TRP 4 1.432 2.535 6.614
25 HD1 TRP 4 HD1 TRP 4 -0.327 -0.152 8.741
26 HE1 TRP 4 HE1 TRP 4 -0.992 0.908 10.994
27 HE3 TRP 4 HE3 TRP 4 1.888 4.422 8.247
28 HZ2 TRP 4 HZ2 TRP 4 -0.624 3.373 12.405
29 HZ3 TRP 4 HZ3 TRP 4 1.718 6.106 10.058
30 HH2 TRP 4 HH2 TRP 4 0.466 5.586 12.135
31 H LEU 5 H LEU 5 -0.789 3.012 6.889
32 HA LEU 5 HA LEU 5 -2.611 3.405 4.638
33 1HB LEU 5 2HB LEU 5 -3.135 5.486 5.888
34 2HB LEU 5 1HB LEU 5 -3.146 4.071 6.934
35 HG LEU 5 HG LEU 5 -0.476 5.056 6.914
36 1HD1 LEU 5 1HD1 LEU 5 -0.815 7.342 7.783
37 2HD1 LEU 5 2HD1 LEU 5 -2.548 7.202 7.490
38 3HD1 LEU 5 3HD1 LEU 5 -1.423 7.215 6.134
39 1HD2 LEU 5 1HD2 LEU 5 -2.718 5.124 8.955
40 2HD2 LEU 5 2HD2 LEU 5 -1.039 5.502 9.333
41 3HD2 LEU 5 3HD2 LEU 5 -1.476 3.884 8.787
42 H ARG 6 H ARG 6 -2.083 6.335 4.643
43 HA ARG 6 HA ARG 6 -0.453 6.501 2.293
44 1HB ARG 6 2HB ARG 6 -1.759 8.335 4.250
45 2HB ARG 6 1HB ARG 6 -0.516 9.036 3.214
46 1HG ARG 6 2HG ARG 6 -1.806 7.816 1.287
47 2HG ARG 6 1HG ARG 6 -3.140 7.793 2.441
48 1HD ARG 6 2HD ARG 6 -1.675 10.381 2.030
49 2HD ARG 6 1HD ARG 6 -2.850 9.861 0.806
50 HE ARG 6 HE ARG 6 -4.586 10.099 2.417
51 1HH1 ARG 6 2HH1 ARG 6 -2.584 12.238 3.452
52 2HH1 ARG 6 1HH1 ARG 6 -2.645 11.913 5.153
53 1HH2 ARG 6 1HH2 ARG 6 -4.182 8.827 4.775
54 2HH2 ARG 6 2HH2 ARG 6 -3.550 9.981 5.901
55 H GLY 7 H GLY 7 0.433 6.224 5.601
56 1HA GLY 7 2HA GLY 7 2.849 7.789 5.605
57 2HA GLY 7 1HA GLY 7 2.493 6.455 6.707
58 H ASP 8 H ASP 8 1.977 4.757 4.196
59 HA ASP 8 HA ASP 8 3.183 3.259 2.851
60 1HB ASP 8 2HB ASP 8 3.930 5.767 2.244
61 2HB ASP 8 1HB ASP 8 5.490 5.142 2.776
62 H TRP 9 H TRP 9 6.277 3.413 2.921
63 HA TRP 9 HA TRP 9 6.649 1.355 4.967
64 1HB TRP 9 2HB TRP 9 7.917 2.406 2.592
65 2HB TRP 9 1HB TRP 9 9.107 2.201 3.872
66 HD1 TRP 9 HD1 TRP 9 9.735 -0.245 4.561
67 HE1 TRP 9 HE1 TRP 9 9.047 -2.577 3.713
68 HE3 TRP 9 HE3 TRP 9 5.773 1.028 1.622
69 HZ2 TRP 9 HZ2 TRP 9 7.067 -3.747 2.017
70 HZ3 TRP 9 HZ3 TRP 9 4.495 -0.712 0.406
71 HH2 TRP 9 HH2 TRP 9 5.134 -3.097 0.605
72 H ARG 10 H ARG 10 6.311 2.569 6.974
73 HA ARG 10 HA ARG 10 7.926 4.918 7.607
74 1HB ARG 10 2HB ARG 10 5.978 3.099 8.990
75 2HB ARG 10 1HB ARG 10 6.886 4.291 9.926
76 1HG ARG 10 2HG ARG 10 5.485 5.115 7.395
77 2HG ARG 10 1HG ARG 10 4.580 4.990 8.907
78 1HD ARG 10 2HD ARG 10 7.186 6.500 8.854
79 2HD ARG 10 1HD ARG 10 5.687 7.289 8.321
80 HE ARG 10 HE ARG 10 4.711 6.613 10.551
81 1HH1 ARG 10 1HH2 ARG 10 7.431 8.349 10.444
82 2HH1 ARG 10 2HH2 ARG 10 8.113 7.819 11.946
83 1HH2 ARG 10 2HH1 ARG 10 5.883 5.190 12.329
84 2HH2 ARG 10 1HH1 ARG 10 7.236 6.028 13.014
85 H GLN 11 H GLN 11 8.894 4.606 10.084
86 HA GLN 11 HA GLN 11 11.313 3.015 9.732
87 1HB GLN 11 2HB GLN 11 10.098 4.896 11.711
88 2HB GLN 11 1HB GLN 11 11.381 3.838 12.297
89 1HG GLN 11 2HG GLN 11 12.543 5.743 11.540
90 2HG GLN 11 1HG GLN 11 12.690 4.611 10.194
91 1HE2 GLN 11 1HE2 GLN 11 10.989 7.539 11.295
92 2HE2 GLN 11 2HE2 GLN 11 10.426 7.991 9.759
93 H CYS 12 H CYS 12 10.762 0.781 9.723
94 HA CYS 12 HA CYS 12 9.087 -0.323 11.886
95 1HB CYS 12 2HB CYS 12 10.566 -1.512 9.521
96 2HB CYS 12 1HB CYS 12 9.504 -2.433 10.589
97 1HN NH2 13 1HT CYS 12 12.504 -0.785 10.780
98 2HN NH2 13 2HT CYS 12 13.075 -1.318 12.286
Start of MODEL 10
1 1H ACE 1 1HA ACE 1 -4.046 -4.983 10.932
2 2H ACE 1 2HA ACE 1 -5.643 -5.724 10.829
3 3H ACE 1 3HA ACE 1 -5.172 -4.841 12.282
4 H CYS 2 H CYS 2 -4.522 -2.464 11.786
5 HA CYS 2 HA CYS 2 -6.724 -1.032 10.792
6 1HB CYS 2 2HB CYS 2 -5.130 0.887 10.857
7 2HB CYS 2 1HB CYS 2 -5.010 -0.130 12.294
8 H ARG 3 H ARG 3 -7.025 0.149 8.830
9 HA ARG 3 HA ARG 3 -5.417 -0.837 6.489
10 1HB ARG 3 2HB ARG 3 -8.341 -0.362 7.016
11 2HB ARG 3 1HB ARG 3 -7.741 -0.170 5.371
12 1HG ARG 3 2HG ARG 3 -7.215 -2.653 7.026
13 2HG ARG 3 1HG ARG 3 -8.606 -2.493 5.953
14 1HD ARG 3 2HD ARG 3 -7.331 -2.694 4.057
15 2HD ARG 3 1HD ARG 3 -5.966 -1.805 4.763
16 HE ARG 3 HE ARG 3 -5.547 -3.892 6.155
17 1HH1 ARG 3 2HH1 ARG 3 -4.976 -4.233 3.156
18 2HH1 ARG 3 1HH1 ARG 3 -5.682 -5.788 2.868
19 1HH2 ARG 3 1HH2 ARG 3 -7.495 -5.803 5.825
20 2HH2 ARG 3 2HH2 ARG 3 -7.110 -6.678 4.381
21 H TRP 4 H TRP 4 -4.142 1.237 7.404
22 HA TRP 4 HA TRP 4 -4.995 3.580 5.751
23 1HB TRP 4 2HB TRP 4 -5.875 3.550 8.226
24 2HB TRP 4 1HB TRP 4 -4.205 3.938 8.644
25 HD1 TRP 4 HD1 TRP 4 -6.266 5.193 5.636
26 HE1 TRP 4 HE1 TRP 4 -6.290 7.766 5.685
27 HE3 TRP 4 HE3 TRP 4 -3.775 6.037 10.022
28 HZ2 TRP 4 HZ2 TRP 4 -5.395 9.894 7.342
29 HZ3 TRP 4 HZ3 TRP 4 -3.379 8.356 10.809
30 HH2 TRP 4 HH2 TRP 4 -4.187 10.281 9.473
31 H LEU 5 H LEU 5 -3.077 2.889 4.563
32 HA LEU 5 HA LEU 5 -0.454 3.310 5.898
33 1HB LEU 5 2HB LEU 5 0.321 2.299 3.634
34 2HB LEU 5 1HB LEU 5 -0.507 1.243 4.764
35 HG LEU 5 HG LEU 5 -1.212 1.099 2.314
36 1HD1 LEU 5 1HD1 LEU 5 -3.787 1.582 3.399
37 2HD1 LEU 5 2HD1 LEU 5 -2.765 0.973 4.706
38 3HD1 LEU 5 3HD1 LEU 5 -2.946 0.044 3.222
39 1HD2 LEU 5 1HD2 LEU 5 -2.514 3.751 2.987
40 2HD2 LEU 5 2HD2 LEU 5 -2.891 2.780 1.571
41 3HD2 LEU 5 3HD2 LEU 5 -1.281 3.463 1.763
42 H ARG 6 H ARG 6 -1.649 5.744 5.583
43 HA ARG 6 HA ARG 6 -1.151 6.980 2.994
44 1HB ARG 6 2HB ARG 6 -2.739 7.582 5.035
45 2HB ARG 6 1HB ARG 6 -1.333 8.502 5.573
46 1HG ARG 6 2HG ARG 6 -1.405 9.946 3.750
47 2HG ARG 6 1HG ARG 6 -2.238 8.776 2.727
48 1HD ARG 6 2HD ARG 6 -4.064 10.096 3.202
49 2HD ARG 6 1HD ARG 6 -4.104 9.132 4.692
50 HE ARG 6 HE ARG 6 -2.453 10.987 5.554
51 1HH1 ARG 6 2HH1 ARG 6 -2.655 12.790 3.240
52 2HH1 ARG 6 1HH1 ARG 6 -3.963 13.841 3.671
53 1HH2 ARG 6 1HH2 ARG 6 -5.176 11.752 6.157
54 2HH2 ARG 6 2HH2 ARG 6 -5.388 13.254 5.321
55 H GLY 7 H GLY 7 1.149 5.721 3.547
56 1HA GLY 7 2HA GLY 7 3.247 7.400 3.147
57 2HA GLY 7 1HA GLY 7 3.059 7.491 4.902
58 H ASP 8 H ASP 8 1.990 4.483 4.304
59 HA ASP 8 HA ASP 8 2.941 2.342 4.579
60 1HB ASP 8 2HB ASP 8 3.819 3.248 2.325
61 2HB ASP 8 1HB ASP 8 5.334 3.539 3.180
62 H TRP 9 H TRP 9 3.163 2.814 6.951
63 HA TRP 9 HA TRP 9 5.931 3.507 7.835
64 1HB TRP 9 2HB TRP 9 3.194 3.833 8.786
65 2HB TRP 9 1HB TRP 9 4.275 3.239 10.042
66 HD1 TRP 9 HD1 TRP 9 3.773 6.214 7.690
67 HE1 TRP 9 HE1 TRP 9 5.307 8.142 8.426
68 HE3 TRP 9 HE3 TRP 9 6.561 3.827 11.246
69 HZ2 TRP 9 HZ2 TRP 9 7.436 8.617 10.272
70 HZ3 TRP 9 HZ3 TRP 9 8.334 5.042 12.475
71 HH2 TRP 9 HH2 TRP 9 8.780 7.433 11.986
72 H ARG 10 H ARG 10 5.696 2.153 10.376
73 HA ARG 10 HA ARG 10 6.685 -0.473 9.658
74 1HB ARG 10 2HB ARG 10 5.933 0.942 12.228
75 2HB ARG 10 1HB ARG 10 6.554 -0.708 12.222
76 1HG ARG 10 2HG ARG 10 8.603 0.027 11.106
77 2HG ARG 10 1HG ARG 10 7.982 1.673 10.995
78 1HD ARG 10 2HD ARG 10 7.846 1.723 13.517
79 2HD ARG 10 1HD ARG 10 8.678 0.155 13.534
80 HE ARG 10 HE ARG 10 9.945 2.346 11.984
81 1HH1 ARG 10 1HH2 ARG 10 10.005 2.649 15.057
82 2HH1 ARG 10 2HH2 ARG 10 11.548 1.948 15.411
83 1HH2 ARG 10 2HH1 ARG 10 11.876 0.435 12.310
84 2HH2 ARG 10 1HH1 ARG 10 12.606 0.697 13.859
85 H GLN 11 H GLN 11 5.510 -2.192 11.490
86 HA GLN 11 HA GLN 11 3.034 -2.907 10.148
87 1HB GLN 11 2HB GLN 11 3.039 -4.718 11.862
88 2HB GLN 11 1HB GLN 11 4.609 -4.555 11.075
89 1HG GLN 11 2HG GLN 11 5.574 -3.501 12.944
90 2HG GLN 11 1HG GLN 11 4.008 -3.057 13.619
91 1HE2 GLN 11 1HE2 GLN 11 6.498 -5.054 14.256
92 2HE2 GLN 11 2HE2 GLN 11 5.677 -6.367 14.951
93 H CYS 12 H CYS 12 1.000 -3.337 11.486
94 HA CYS 12 HA CYS 12 0.315 -0.905 13.007
95 1HB CYS 12 2HB CYS 12 -0.994 -2.265 11.152
96 2HB CYS 12 1HB CYS 12 -1.528 -3.224 12.535
97 1HN NH2 13 1HT CYS 12 -0.349 -4.407 13.664
98 2HN NH2 13 2HT CYS 12 -0.107 -4.291 15.341
Start of MODEL 11
1 1H ACE 1 1HA ACE 1 -6.446 -6.030 5.072
2 2H ACE 1 2HA ACE 1 -7.079 -6.329 6.690
3 3H ACE 1 3HA ACE 1 -5.339 -6.245 6.427
4 H CYS 2 H CYS 2 -5.001 -4.489 7.861
5 HA CYS 2 HA CYS 2 -6.507 -2.127 8.064
6 1HB CYS 2 2HB CYS 2 -4.395 -1.205 9.008
7 2HB CYS 2 1HB CYS 2 -4.742 -2.822 9.616
8 H ARG 3 H ARG 3 -6.753 -0.372 6.733
9 HA ARG 3 HA ARG 3 -4.942 -0.157 4.353
10 1HB ARG 3 2HB ARG 3 -7.867 0.428 4.845
11 2HB ARG 3 1HB ARG 3 -7.023 1.062 3.431
12 1HG ARG 3 2HG ARG 3 -6.237 -1.503 3.262
13 2HG ARG 3 1HG ARG 3 -7.778 -1.743 4.086
14 1HD ARG 3 2HD ARG 3 -8.278 -1.819 1.737
15 2HD ARG 3 1HD ARG 3 -8.794 -0.208 2.274
16 HE ARG 3 HE ARG 3 -6.262 0.353 1.596
17 1HH1 ARG 3 2HH1 ARG 3 -8.647 0.631 -0.350
18 2HH1 ARG 3 1HH1 ARG 3 -7.987 -0.124 -1.762
19 1HH2 ARG 3 1HH2 ARG 3 -5.363 -1.622 -0.061
20 2HH2 ARG 3 2HH2 ARG 3 -6.129 -1.400 -1.599
21 H TRP 4 H TRP 4 -4.215 1.038 6.856
22 HA TRP 4 HA TRP 4 -4.684 3.968 6.318
23 1HB TRP 4 2HB TRP 4 -4.480 2.250 8.763
24 2HB TRP 4 1HB TRP 4 -3.906 3.913 8.875
25 HD1 TRP 4 HD1 TRP 4 -6.012 5.366 7.059
26 HE1 TRP 4 HE1 TRP 4 -8.467 5.566 7.821
27 HE3 TRP 4 HE3 TRP 4 -6.193 1.546 10.432
28 HZ2 TRP 4 HZ2 TRP 4 -10.274 4.278 9.639
29 HZ3 TRP 4 HZ3 TRP 4 -8.282 1.055 11.666
30 HH2 TRP 4 HH2 TRP 4 -10.320 2.412 11.275
31 H LEU 5 H LEU 5 -2.684 2.894 4.810
32 HA LEU 5 HA LEU 5 -0.157 3.541 6.301
33 1HB LEU 5 2HB LEU 5 0.906 2.062 4.594
34 2HB LEU 5 1HB LEU 5 -0.333 1.218 5.520
35 HG LEU 5 HG LEU 5 -1.365 2.565 3.112
36 1HD1 LEU 5 1HD1 LEU 5 -0.362 1.162 1.483
37 2HD1 LEU 5 2HD1 LEU 5 0.326 0.094 2.706
38 3HD1 LEU 5 3HD1 LEU 5 0.988 1.714 2.475
39 1HD2 LEU 5 1HD2 LEU 5 -2.094 -0.017 2.911
40 2HD2 LEU 5 2HD2 LEU 5 -2.911 1.103 4.000
41 3HD2 LEU 5 3HD2 LEU 5 -1.675 0.011 4.624
42 H ARG 6 H ARG 6 -1.527 5.732 5.397
43 HA ARG 6 HA ARG 6 -1.091 6.521 2.679
44 1HB ARG 6 2HB ARG 6 -2.409 7.493 4.830
45 2HB ARG 6 1HB ARG 6 -0.981 8.526 4.882
46 1HG ARG 6 2HG ARG 6 -1.504 9.590 2.919
47 2HG ARG 6 1HG ARG 6 -2.258 8.156 2.222
48 1HD ARG 6 2HD ARG 6 -4.288 8.506 3.428
49 2HD ARG 6 1HD ARG 6 -3.526 9.687 4.512
50 HE ARG 6 HE ARG 6 -3.409 10.372 1.652
51 1HH1 ARG 6 1HH2 ARG 6 -3.276 12.361 3.906
52 2HH1 ARG 6 2HH2 ARG 6 -4.850 13.082 3.839
53 1HH2 ARG 6 2HH1 ARG 6 -6.212 10.559 1.887
54 2HH2 ARG 6 1HH1 ARG 6 -6.512 12.062 2.696
55 H GLY 7 H GLY 7 0.988 6.559 5.523
56 1HA GLY 7 2HA GLY 7 3.205 7.629 3.804
57 2HA GLY 7 1HA GLY 7 3.019 8.131 5.487
58 H ASP 8 H ASP 8 2.383 4.841 4.409
59 HA ASP 8 HA ASP 8 4.876 3.949 5.848
60 1HB ASP 8 2HB ASP 8 2.003 3.063 5.957
61 2HB ASP 8 1HB ASP 8 3.289 1.924 6.359
62 H TRP 9 H TRP 9 6.011 2.238 4.858
63 HA TRP 9 HA TRP 9 5.197 1.575 2.070
64 1HB TRP 9 2HB TRP 9 7.638 2.024 3.581
65 2HB TRP 9 1HB TRP 9 7.719 0.549 2.610
66 HD1 TRP 9 HD1 TRP 9 7.356 4.338 2.270
67 HE1 TRP 9 HE1 TRP 9 7.658 4.997 -0.200
68 HE3 TRP 9 HE3 TRP 9 7.352 -0.294 0.107
69 HZ2 TRP 9 HZ2 TRP 9 7.859 3.731 -2.755
70 HZ3 TRP 9 HZ3 TRP 9 7.594 -0.533 -2.337
71 HH2 TRP 9 HH2 TRP 9 7.840 1.468 -3.774
72 H ARG 10 H ARG 10 5.511 0.170 5.213
73 HA ARG 10 HA ARG 10 5.283 -2.607 4.110
74 1HB ARG 10 2HB ARG 10 6.046 -1.477 6.820
75 2HB ARG 10 1HB ARG 10 5.909 -3.203 6.480
76 1HG ARG 10 2HG ARG 10 7.537 -2.780 4.533
77 2HG ARG 10 1HG ARG 10 7.856 -1.221 5.296
78 1HD ARG 10 2HD ARG 10 8.147 -2.772 7.466
79 2HD ARG 10 1HD ARG 10 8.590 -3.961 6.225
80 HE ARG 10 HE ARG 10 10.167 -2.128 5.345
81 1HH1 ARG 10 2HH1 ARG 10 8.911 -0.667 7.950
82 2HH1 ARG 10 1HH1 ARG 10 10.364 -0.566 8.885
83 1HH2 ARG 10 1HH2 ARG 10 12.149 -2.718 6.834
84 2HH2 ARG 10 2HH2 ARG 10 12.198 -1.727 8.253
85 H GLN 11 H GLN 11 3.758 -4.066 5.334
86 HA GLN 11 HA GLN 11 1.162 -2.721 5.756
87 1HB GLN 11 2HB GLN 11 2.189 -5.545 5.513
88 2HB GLN 11 1HB GLN 11 0.534 -5.233 6.041
89 1HG GLN 11 2HG GLN 11 0.287 -3.755 3.979
90 2HG GLN 11 1HG GLN 11 1.821 -4.428 3.424
91 1HE2 GLN 11 1HE2 GLN 11 -1.082 -5.888 5.010
92 2HE2 GLN 11 2HE2 GLN 11 -1.269 -7.119 3.856
93 H CYS 12 H CYS 12 -0.094 -4.145 7.668
94 HA CYS 12 HA CYS 12 1.107 -3.204 10.162
95 1HB CYS 12 2HB CYS 12 -1.362 -4.819 9.450
96 2HB CYS 12 1HB CYS 12 -1.004 -4.249 11.080
97 1HN NH2 13 1HT CYS 12 0.784 -6.353 8.515
98 2HN NH2 13 2HT CYS 12 1.643 -7.248 9.674
Start of MODEL 12
1 1H ACE 1 1HA ACE 1 -7.392 2.667 14.823
2 2H ACE 1 2HA ACE 1 -7.089 1.102 15.578
3 3H ACE 1 3HA ACE 1 -8.253 1.235 14.258
4 H CYS 2 H CYS 2 -6.005 3.264 13.217
5 HA CYS 2 HA CYS 2 -4.332 3.107 11.549
6 1HB CYS 2 2HB CYS 2 -3.306 2.221 13.743
7 2HB CYS 2 1HB CYS 2 -3.540 0.611 13.061
8 H ARG 3 H ARG 3 -6.077 2.472 9.965
9 HA ARG 3 HA ARG 3 -5.836 -0.407 9.151
10 1HB ARG 3 2HB ARG 3 -8.115 1.584 8.943
11 2HB ARG 3 1HB ARG 3 -8.146 -0.024 8.218
12 1HG ARG 3 2HG ARG 3 -7.574 0.367 11.155
13 2HG ARG 3 1HG ARG 3 -9.223 0.232 10.544
14 1HD ARG 3 2HD ARG 3 -8.432 -1.931 9.373
15 2HD ARG 3 1HD ARG 3 -7.021 -1.838 10.448
16 HE ARG 3 HE ARG 3 -9.716 -1.596 11.677
17 1HH1 ARG 3 1HH2 ARG 3 -9.396 -4.411 10.959
18 2HH1 ARG 3 2HH2 ARG 3 -8.522 -5.074 12.299
19 1HH2 ARG 3 2HH1 ARG 3 -7.468 -1.987 13.477
20 2HH2 ARG 3 1HH1 ARG 3 -7.430 -3.700 13.726
21 H TRP 4 H TRP 4 -4.591 2.461 8.316
22 HA TRP 4 HA TRP 4 -4.568 1.785 5.397
23 1HB TRP 4 2HB TRP 4 -5.421 4.369 6.736
24 2HB TRP 4 1HB TRP 4 -4.812 4.363 5.086
25 HD1 TRP 4 HD1 TRP 4 -6.273 1.443 4.447
26 HE1 TRP 4 HE1 TRP 4 -8.793 1.511 3.923
27 HE3 TRP 4 HE3 TRP 4 -7.482 5.981 6.461
28 HZ2 TRP 4 HZ2 TRP 4 -11.019 3.249 4.295
29 HZ3 TRP 4 HZ3 TRP 4 -9.814 6.817 6.355
30 HH2 TRP 4 HH2 TRP 4 -11.582 5.456 5.274
31 H LEU 5 H LEU 5 -2.705 2.673 4.317
32 HA LEU 5 HA LEU 5 -0.492 3.509 6.164
33 1HB LEU 5 2HB LEU 5 0.949 2.447 4.431
34 2HB LEU 5 1HB LEU 5 -0.232 1.314 5.084
35 HG LEU 5 HG LEU 5 -1.243 2.819 2.773
36 1HD1 LEU 5 1HD1 LEU 5 1.121 2.660 2.097
37 2HD1 LEU 5 2HD1 LEU 5 0.121 1.590 1.115
38 3HD1 LEU 5 3HD1 LEU 5 1.103 0.927 2.421
39 1HD2 LEU 5 1HD2 LEU 5 -1.561 0.292 2.086
40 2HD2 LEU 5 2HD2 LEU 5 -2.539 0.977 3.383
41 3HD2 LEU 5 3HD2 LEU 5 -1.132 -0.014 3.769
42 H ARG 6 H ARG 6 -1.364 5.780 5.842
43 HA ARG 6 HA ARG 6 -1.436 7.027 3.241
44 1HB ARG 6 2HB ARG 6 -2.295 7.648 5.699
45 2HB ARG 6 1HB ARG 6 -0.771 8.534 5.739
46 1HG ARG 6 2HG ARG 6 -1.373 9.795 3.765
47 2HG ARG 6 1HG ARG 6 -2.823 8.815 3.528
48 1HD ARG 6 2HD ARG 6 -3.354 9.619 6.019
49 2HD ARG 6 1HD ARG 6 -2.305 10.970 5.546
50 HE ARG 6 HE ARG 6 -4.822 10.194 4.139
51 1HH1 ARG 6 2HH1 ARG 6 -2.891 11.417 2.261
52 2HH1 ARG 6 1HH1 ARG 6 -3.231 13.108 2.407
53 1HH2 ARG 6 1HH2 ARG 6 -4.964 12.773 5.392
54 2HH2 ARG 6 2HH2 ARG 6 -4.405 13.878 4.179
55 H GLY 7 H GLY 7 1.133 6.260 5.468
56 1HA GLY 7 2HA GLY 7 3.071 7.612 3.630
57 2HA GLY 7 1HA GLY 7 3.262 7.711 5.384
58 H ASP 8 H ASP 8 2.065 4.817 3.782
59 HA ASP 8 HA ASP 8 2.892 2.596 3.983
60 1HB ASP 8 2HB ASP 8 4.943 2.379 2.660
61 2HB ASP 8 1HB ASP 8 3.905 3.609 1.943
62 H TRP 9 H TRP 9 3.081 3.852 6.511
63 HA TRP 9 HA TRP 9 5.791 3.569 7.584
64 1HB TRP 9 2HB TRP 9 3.380 4.787 8.280
65 2HB TRP 9 1HB TRP 9 3.606 3.533 9.497
66 HD1 TRP 9 HD1 TRP 9 5.703 3.731 11.111
67 HE1 TRP 9 HE1 TRP 9 7.348 5.643 11.629
68 HE3 TRP 9 HE3 TRP 9 4.729 6.831 7.171
69 HZ2 TRP 9 HZ2 TRP 9 8.158 8.144 10.513
70 HZ3 TRP 9 HZ3 TRP 9 5.959 8.969 6.925
71 HH2 TRP 9 HH2 TRP 9 7.673 9.625 8.586
72 H ARG 10 H ARG 10 5.423 2.178 9.939
73 HA ARG 10 HA ARG 10 5.600 -0.571 9.107
74 1HB ARG 10 2HB ARG 10 6.488 0.811 11.189
75 2HB ARG 10 1HB ARG 10 4.971 0.289 11.921
76 1HG ARG 10 2HG ARG 10 6.383 -1.878 10.532
77 2HG ARG 10 1HG ARG 10 7.310 -1.187 11.862
78 1HD ARG 10 2HD ARG 10 4.454 -1.639 12.485
79 2HD ARG 10 1HD ARG 10 5.400 -3.114 12.204
80 HE ARG 10 HE ARG 10 6.651 -2.623 14.153
81 1HH1 ARG 10 2HH1 ARG 10 7.536 0.115 13.415
82 2HH1 ARG 10 1HH1 ARG 10 6.765 1.098 14.615
83 1HH2 ARG 10 1HH2 ARG 10 4.505 -1.357 15.556
84 2HH2 ARG 10 2HH2 ARG 10 5.050 0.264 15.827
85 H GLN 11 H GLN 11 4.000 -2.167 9.084
86 HA GLN 11 HA GLN 11 1.227 -1.388 8.991
87 1HB GLN 11 2HB GLN 11 2.838 -3.919 8.942
88 2HB GLN 11 1HB GLN 11 1.086 -4.035 9.115
89 1HG GLN 11 2HG GLN 11 2.218 -2.258 6.981
90 2HG GLN 11 1HG GLN 11 2.177 -4.001 6.712
91 1HE2 GLN 11 1HE2 GLN 11 0.331 -1.193 6.366
92 2HE2 GLN 11 2HE2 GLN 11 -1.204 -1.910 6.253
93 H CYS 12 H CYS 12 -0.355 -1.509 10.563
94 HA CYS 12 HA CYS 12 0.505 -1.905 13.352
95 1HB CYS 12 2HB CYS 12 -2.056 -1.044 11.982
96 2HB CYS 12 1HB CYS 12 -1.875 -1.121 13.736
97 1HN NH2 13 1HT CYS 12 0.647 -4.396 11.998
98 2HN NH2 13 2HT CYS 12 -0.606 -5.406 12.540
Start of MODEL 13
1 1H ACE 1 1HA ACE 1 -3.129 -2.209 14.340
2 2H ACE 1 2HA ACE 1 -1.649 -3.133 14.084
3 3H ACE 1 3HA ACE 1 -3.222 -3.890 13.817
4 H CYS 2 H CYS 2 -1.553 -0.909 12.721
5 HA CYS 2 HA CYS 2 -1.470 0.079 10.573
6 1HB CYS 2 2HB CYS 2 -1.479 -2.874 9.867
7 2HB CYS 2 1HB CYS 2 -0.902 -1.572 8.827
8 H ARG 3 H ARG 3 -3.582 1.035 10.488
9 HA ARG 3 HA ARG 3 -5.717 -0.631 9.253
10 1HB ARG 3 2HB ARG 3 -5.724 2.021 10.723
11 2HB ARG 3 1HB ARG 3 -7.167 1.288 10.025
12 1HG ARG 3 2HG ARG 3 -6.676 -0.769 11.425
13 2HG ARG 3 1HG ARG 3 -5.436 0.182 12.246
14 1HD ARG 3 2HD ARG 3 -7.597 1.895 12.332
15 2HD ARG 3 1HD ARG 3 -8.367 0.308 12.530
16 HE ARG 3 HE ARG 3 -6.241 0.070 14.203
17 1HH1 ARG 3 2HH1 ARG 3 -8.933 0.562 15.371
18 2HH1 ARG 3 1HH1 ARG 3 -8.690 2.022 16.269
19 1HH2 ARG 3 1HH2 ARG 3 -5.740 2.847 14.644
20 2HH2 ARG 3 2HH2 ARG 3 -6.883 3.316 15.858
21 H TRP 4 H TRP 4 -3.506 1.922 8.613
22 HA TRP 4 HA TRP 4 -4.460 2.131 5.829
23 1HB TRP 4 2HB TRP 4 -4.743 4.306 7.903
24 2HB TRP 4 1HB TRP 4 -4.531 4.724 6.204
25 HD1 TRP 4 HD1 TRP 4 -6.256 2.588 4.783
26 HE1 TRP 4 HE1 TRP 4 -8.821 2.567 5.055
27 HE3 TRP 4 HE3 TRP 4 -6.691 5.188 9.153
28 HZ2 TRP 4 HZ2 TRP 4 -10.794 3.545 6.888
29 HZ3 TRP 4 HZ3 TRP 4 -8.918 5.631 10.140
30 HH2 TRP 4 HH2 TRP 4 -10.976 4.815 9.019
31 H LEU 5 H LEU 5 -2.754 2.644 4.491
32 HA LEU 5 HA LEU 5 -0.111 3.237 5.755
33 1HB LEU 5 2HB LEU 5 0.733 2.430 3.553
34 2HB LEU 5 1HB LEU 5 -0.313 1.246 4.333
35 HG LEU 5 HG LEU 5 -1.744 3.161 2.600
36 1HD1 LEU 5 1HD1 LEU 5 -1.010 2.060 0.508
37 2HD1 LEU 5 2HD1 LEU 5 0.191 1.143 1.418
38 3HD1 LEU 5 3HD1 LEU 5 0.330 2.898 1.295
39 1HD2 LEU 5 1HD2 LEU 5 -3.135 1.418 3.133
40 2HD2 LEU 5 2HD2 LEU 5 -1.797 0.300 3.389
41 3HD2 LEU 5 3HD2 LEU 5 -2.356 0.642 1.753
42 H ARG 6 H ARG 6 -1.246 5.596 5.916
43 HA ARG 6 HA ARG 6 -1.552 7.175 3.520
44 1HB ARG 6 2HB ARG 6 -0.979 7.786 6.430
45 2HB ARG 6 1HB ARG 6 -1.226 9.057 5.236
46 1HG ARG 6 2HG ARG 6 -3.463 8.581 4.983
47 2HG ARG 6 1HG ARG 6 -3.248 6.869 5.356
48 1HD ARG 6 2HD ARG 6 -3.506 7.202 7.614
49 2HD ARG 6 1HD ARG 6 -2.617 8.737 7.583
50 HE ARG 6 HE ARG 6 -5.152 8.910 6.170
51 1HH1 ARG 6 1HH2 ARG 6 -5.918 7.869 8.878
52 2HH1 ARG 6 2HH2 ARG 6 -6.110 9.330 9.788
53 1HH2 ARG 6 2HH1 ARG 6 -4.404 11.301 7.502
54 2HH2 ARG 6 1HH1 ARG 6 -5.255 11.270 9.010
55 H GLY 7 H GLY 7 1.213 5.931 5.069
56 1HA GLY 7 2HA GLY 7 2.983 7.422 3.256
57 2HA GLY 7 1HA GLY 7 3.264 7.695 4.983
58 H ASP 8 H ASP 8 2.038 4.601 3.896
59 HA ASP 8 HA ASP 8 3.019 2.447 4.012
60 1HB ASP 8 2HB ASP 8 4.409 3.947 2.286
61 2HB ASP 8 1HB ASP 8 5.684 3.702 3.480
62 H TRP 9 H TRP 9 2.723 3.655 6.520
63 HA TRP 9 HA TRP 9 5.279 3.534 7.990
64 1HB TRP 9 2HB TRP 9 2.526 4.488 8.348
65 2HB TRP 9 1HB TRP 9 3.243 3.825 9.811
66 HD1 TRP 9 HD1 TRP 9 3.691 6.607 7.257
67 HE1 TRP 9 HE1 TRP 9 5.403 8.314 8.150
68 HE3 TRP 9 HE3 TRP 9 5.376 4.099 11.369
69 HZ2 TRP 9 HZ2 TRP 9 7.256 8.570 10.316
70 HZ3 TRP 9 HZ3 TRP 9 7.111 5.090 12.820
71 HH2 TRP 9 HH2 TRP 9 8.058 7.317 12.299
72 H ARG 10 H ARG 10 5.985 1.384 8.206
73 HA ARG 10 HA ARG 10 4.172 -0.860 8.689
74 1HB ARG 10 2HB ARG 10 6.339 -0.910 7.433
75 2HB ARG 10 1HB ARG 10 7.183 -0.623 8.955
76 1HG ARG 10 2HG ARG 10 5.644 -2.705 9.708
77 2HG ARG 10 1HG ARG 10 5.802 -3.077 7.991
78 1HD ARG 10 2HD ARG 10 8.300 -2.829 8.235
79 2HD ARG 10 1HD ARG 10 8.056 -2.691 9.989
80 HE ARG 10 HE ARG 10 6.779 -5.011 8.669
81 1HH1 ARG 10 2HH1 ARG 10 7.990 -4.157 11.555
82 2HH1 ARG 10 1HH1 ARG 10 9.091 -5.480 11.745
83 1HH2 ARG 10 1HH2 ARG 10 8.800 -6.546 8.463
84 2HH2 ARG 10 2HH2 ARG 10 9.549 -6.829 9.998
85 H GLN 11 H GLN 11 3.323 0.474 10.809
86 HA GLN 11 HA GLN 11 5.091 0.256 13.140
87 1HB GLN 11 2HB GLN 11 2.419 1.312 12.443
88 2HB GLN 11 1HB GLN 11 2.590 0.757 14.110
89 1HG GLN 11 2HG GLN 11 4.712 2.121 14.258
90 2HG GLN 11 1HG GLN 11 4.308 2.806 12.684
91 1HE2 GLN 11 1HE2 GLN 11 3.989 3.377 15.974
92 2HE2 GLN 11 2HE2 GLN 11 2.637 4.402 15.935
93 H CYS 12 H CYS 12 3.424 -2.107 11.476
94 HA CYS 12 HA CYS 12 2.316 -3.552 13.785
95 1HB CYS 12 2HB CYS 12 2.640 -4.012 10.829
96 2HB CYS 12 1HB CYS 12 2.151 -5.341 11.880
97 1HN NH2 13 1HT CYS 12 3.099 -6.075 13.795
98 2HN NH2 13 2HT CYS 12 4.782 -6.282 13.878
Start of MODEL 14
1 1H ACE 1 1HA ACE 1 4.282 -0.301 14.178
2 2H ACE 1 2HA ACE 1 5.375 0.251 12.909
3 3H ACE 1 3HA ACE 1 5.740 -1.221 13.810
4 H CYS 2 H CYS 2 5.637 -1.292 11.031
5 HA CYS 2 HA CYS 2 4.635 -2.472 9.246
6 1HB CYS 2 2HB CYS 2 4.019 -3.833 11.805
7 2HB CYS 2 1HB CYS 2 3.012 -4.319 10.442
8 H ARG 3 H ARG 3 3.401 -0.219 9.119
9 HA ARG 3 HA ARG 3 0.457 -0.693 9.450
10 1HB ARG 3 2HB ARG 3 2.150 1.823 9.335
11 2HB ARG 3 1HB ARG 3 0.388 1.820 9.437
12 1HG ARG 3 2HG ARG 3 0.690 0.315 11.511
13 2HG ARG 3 1HG ARG 3 2.378 0.827 11.478
14 1HD ARG 3 2HD ARG 3 1.810 3.109 11.841
15 2HD ARG 3 1HD ARG 3 0.104 2.827 11.441
16 HE ARG 3 HE ARG 3 -0.183 1.727 13.565
17 1HH1 ARG 3 1HH2 ARG 3 1.546 4.087 14.387
18 2HH1 ARG 3 2HH2 ARG 3 2.736 3.308 15.375
19 1HH2 ARG 3 2HH1 ARG 3 2.000 0.125 14.212
20 2HH2 ARG 3 1HH1 ARG 3 2.994 1.064 15.276
21 H TRP 4 H TRP 4 -0.901 0.282 7.693
22 HA TRP 4 HA TRP 4 0.513 0.346 5.027
23 1HB TRP 4 2HB TRP 4 -0.986 -1.722 5.879
24 2HB TRP 4 1HB TRP 4 -2.294 -0.681 5.318
25 HD1 TRP 4 HD1 TRP 4 -0.812 0.622 2.839
26 HE1 TRP 4 HE1 TRP 4 -0.351 -0.810 0.746
27 HE3 TRP 4 HE3 TRP 4 -1.134 -4.064 4.869
28 HZ2 TRP 4 HZ2 TRP 4 -0.148 -3.566 0.024
29 HZ3 TRP 4 HZ3 TRP 4 -0.807 -6.071 3.449
30 HH2 TRP 4 HH2 TRP 4 -0.317 -5.824 1.034
31 H LEU 5 H LEU 5 0.011 2.729 6.352
32 HA LEU 5 HA LEU 5 -2.564 3.788 5.285
33 1HB LEU 5 2HB LEU 5 -0.583 4.503 7.403
34 2HB LEU 5 1HB LEU 5 -1.593 5.789 6.737
35 HG LEU 5 HG LEU 5 -2.707 3.162 7.745
36 1HD1 LEU 5 1HD1 LEU 5 -3.464 4.560 9.717
37 2HD1 LEU 5 2HD1 LEU 5 -2.350 5.811 9.168
38 3HD1 LEU 5 3HD1 LEU 5 -1.731 4.236 9.661
39 1HD2 LEU 5 1HD2 LEU 5 -4.726 4.899 7.924
40 2HD2 LEU 5 2HD2 LEU 5 -4.368 4.060 6.415
41 3HD2 LEU 5 3HD2 LEU 5 -3.811 5.716 6.655
42 H ARG 6 H ARG 6 -1.889 6.443 4.966
43 HA ARG 6 HA ARG 6 -0.790 6.510 2.309
44 1HB ARG 6 2HB ARG 6 -0.964 8.975 2.667
45 2HB ARG 6 1HB ARG 6 -2.420 8.136 3.203
46 1HG ARG 6 2HG ARG 6 -1.275 8.072 5.531
47 2HG ARG 6 1HG ARG 6 -0.204 9.310 4.881
48 1HD ARG 6 2HD ARG 6 -1.901 10.897 4.741
49 2HD ARG 6 1HD ARG 6 -3.174 9.670 4.575
50 HE ARG 6 HE ARG 6 -3.170 9.390 6.942
51 1HH1 ARG 6 2HH1 ARG 6 -0.321 9.104 7.536
52 2HH1 ARG 6 1HH1 ARG 6 0.068 10.572 8.369
53 1HH2 ARG 6 1HH2 ARG 6 -2.772 12.247 7.299
54 2HH2 ARG 6 2HH2 ARG 6 -1.319 12.350 8.236
55 H GLY 7 H GLY 7 0.586 6.929 5.508
56 1HA GLY 7 2HA GLY 7 3.211 7.749 4.349
57 2HA GLY 7 1HA GLY 7 2.771 7.812 6.059
58 H ASP 8 H ASP 8 2.272 5.051 3.861
59 HA ASP 8 HA ASP 8 3.636 3.297 5.805
60 1HB ASP 8 2HB ASP 8 2.755 1.546 4.308
61 2HB ASP 8 1HB ASP 8 1.503 2.720 4.706
62 H TRP 9 H TRP 9 5.551 5.035 4.755
63 HA TRP 9 HA TRP 9 6.951 3.548 2.584
64 1HB TRP 9 2HB TRP 9 6.474 6.195 3.031
65 2HB TRP 9 1HB TRP 9 8.096 6.021 3.700
66 HD1 TRP 9 HD1 TRP 9 10.026 5.228 2.095
67 HE1 TRP 9 HE1 TRP 9 10.282 5.229 -0.456
68 HE3 TRP 9 HE3 TRP 9 5.147 5.844 0.711
69 HZ2 TRP 9 HZ2 TRP 9 8.657 5.438 -2.780
70 HZ3 TRP 9 HZ3 TRP 9 4.532 5.930 -1.687
71 HH2 TRP 9 HH2 TRP 9 6.282 5.720 -3.438
72 H ARG 10 H ARG 10 6.896 3.405 5.926
73 HA ARG 10 HA ARG 10 9.847 3.082 6.239
74 1HB ARG 10 2HB ARG 10 9.300 3.142 8.621
75 2HB ARG 10 1HB ARG 10 8.518 4.483 7.787
76 1HG ARG 10 2HG ARG 10 6.557 3.774 8.658
77 2HG ARG 10 1HG ARG 10 6.685 2.358 7.614
78 1HD ARG 10 2HD ARG 10 6.405 1.699 9.999
79 2HD ARG 10 1HD ARG 10 7.986 1.184 9.375
80 HE ARG 10 HE ARG 10 7.759 3.823 10.749
81 1HH1 ARG 10 2HH1 ARG 10 8.163 0.656 11.656
82 2HH1 ARG 10 1HH1 ARG 10 9.735 0.853 12.355
83 1HH2 ARG 10 1HH2 ARG 10 10.161 4.077 11.154
84 2HH2 ARG 10 2HH2 ARG 10 10.866 2.788 12.071
85 H GLN 11 H GLN 11 10.794 1.109 6.873
86 HA GLN 11 HA GLN 11 9.271 -1.348 6.306
87 1HB GLN 11 2HB GLN 11 12.104 -0.552 6.901
88 2HB GLN 11 1HB GLN 11 11.644 -2.254 7.013
89 1HG GLN 11 2HG GLN 11 10.476 -1.617 4.657
90 2HG GLN 11 1HG GLN 11 11.843 -0.502 4.625
91 1HE2 GLN 11 1HE2 GLN 11 11.364 -3.935 5.672
92 2HE2 GLN 11 2HE2 GLN 11 12.732 -4.520 4.857
93 H CYS 12 H CYS 12 9.447 -3.210 7.895
94 HA CYS 12 HA CYS 12 8.666 -2.294 10.594
95 1HB CYS 12 2HB CYS 12 7.859 -4.298 8.876
96 2HB CYS 12 1HB CYS 12 8.862 -5.180 10.027
97 1HN NH2 13 1HT CYS 12 11.456 -3.798 9.034
98 2HN NH2 13 2HT CYS 12 12.360 -4.041 10.449
Start of MODEL 15
1 1H ACE 1 1HA ACE 1 -7.870 8.282 -1.225
2 2H ACE 1 2HA ACE 1 -9.283 7.386 -1.784
3 3H ACE 1 3HA ACE 1 -7.843 7.486 -2.798
4 H CYS 2 H CYS 2 -8.735 4.985 -2.328
5 HA CYS 2 HA CYS 2 -8.051 2.871 -1.522
6 1HB CYS 2 2HB CYS 2 -5.860 4.308 -2.114
7 2HB CYS 2 1HB CYS 2 -5.590 4.122 -0.382
8 H ARG 3 H ARG 3 -7.516 1.688 0.568
9 HA ARG 3 HA ARG 3 -8.325 3.308 2.962
10 1HB ARG 3 2HB ARG 3 -9.198 0.659 1.867
11 2HB ARG 3 1HB ARG 3 -9.207 0.887 3.617
12 1HG ARG 3 2HG ARG 3 -11.254 1.807 3.288
13 2HG ARG 3 1HG ARG 3 -10.355 3.226 2.747
14 1HD ARG 3 2HD ARG 3 -11.712 2.887 0.886
15 2HD ARG 3 1HD ARG 3 -10.340 1.851 0.439
16 HE ARG 3 HE ARG 3 -11.601 -0.067 1.420
17 1HH1 ARG 3 2HH1 ARG 3 -13.566 1.843 2.850
18 2HH1 ARG 3 1HH1 ARG 3 -14.994 1.586 1.904
19 1HH2 ARG 3 1HH2 ARG 3 -13.303 0.044 -0.703
20 2HH2 ARG 3 2HH2 ARG 3 -14.844 0.566 -0.110
21 H TRP 4 H TRP 4 -5.794 3.431 2.887
22 HA TRP 4 HA TRP 4 -4.775 1.437 4.826
23 1HB TRP 4 2HB TRP 4 -4.310 1.327 1.987
24 2HB TRP 4 1HB TRP 4 -2.792 1.758 2.771
25 HD1 TRP 4 HD1 TRP 4 -2.980 0.174 5.418
26 HE1 TRP 4 HE1 TRP 4 -2.899 -2.405 5.427
27 HE3 TRP 4 HE3 TRP 4 -4.373 -0.749 0.606
28 HZ2 TRP 4 HZ2 TRP 4 -3.366 -4.579 3.601
29 HZ3 TRP 4 HZ3 TRP 4 -4.550 -3.069 -0.249
30 HH2 TRP 4 HH2 TRP 4 -4.048 -4.985 1.246
31 H LEU 5 H LEU 5 -2.532 2.195 5.609
32 HA LEU 5 HA LEU 5 -2.585 5.094 6.014
33 1HB LEU 5 2HB LEU 5 -0.930 2.741 6.896
34 2HB LEU 5 1HB LEU 5 -0.342 4.376 7.198
35 HG LEU 5 HG LEU 5 -3.133 3.509 7.962
36 1HD1 LEU 5 1HD1 LEU 5 -1.979 3.497 10.328
37 2HD1 LEU 5 2HD1 LEU 5 -0.517 3.162 9.400
38 3HD1 LEU 5 3HD1 LEU 5 -1.891 2.060 9.310
39 1HD2 LEU 5 1HD2 LEU 5 -2.498 5.439 9.675
40 2HD2 LEU 5 2HD2 LEU 5 -3.072 5.827 8.053
41 3HD2 LEU 5 3HD2 LEU 5 -1.346 5.869 8.411
42 H ARG 6 H ARG 6 -1.892 6.363 4.306
43 HA ARG 6 HA ARG 6 -0.035 5.470 2.273
44 1HB ARG 6 2HB ARG 6 -1.254 8.089 3.148
45 2HB ARG 6 1HB ARG 6 -0.109 8.025 1.810
46 1HG ARG 6 2HG ARG 6 -1.731 6.033 1.039
47 2HG ARG 6 1HG ARG 6 -2.890 6.975 1.979
48 1HD ARG 6 2HD ARG 6 -3.113 8.087 -0.045
49 2HD ARG 6 1HD ARG 6 -1.716 8.985 0.585
50 HE ARG 6 HE ARG 6 -0.260 7.385 -0.667
51 1HH1 ARG 6 1HH2 ARG 6 -3.224 6.024 -1.017
52 2HH1 ARG 6 2HH2 ARG 6 -3.247 6.001 -2.748
53 1HH2 ARG 6 2HH1 ARG 6 -0.441 8.017 -3.071
54 2HH2 ARG 6 1HH1 ARG 6 -1.668 7.132 -3.913
55 H GLY 7 H GLY 7 0.534 6.394 5.491
56 1HA GLY 7 2HA GLY 7 2.971 7.918 5.060
57 2HA GLY 7 1HA GLY 7 2.437 7.235 6.598
58 H ASP 8 H ASP 8 2.181 4.534 5.048
59 HA ASP 8 HA ASP 8 4.990 3.713 5.560
60 1HB ASP 8 2HB ASP 8 3.974 1.422 5.302
61 2HB ASP 8 1HB ASP 8 3.194 2.400 6.541
62 H TRP 9 H TRP 9 4.667 1.424 3.603
63 HA TRP 9 HA TRP 9 5.795 2.791 1.267
64 1HB TRP 9 2HB TRP 9 5.821 0.228 2.494
65 2HB TRP 9 1HB TRP 9 5.238 0.013 0.847
66 HD1 TRP 9 HD1 TRP 9 6.910 0.506 -1.128
67 HE1 TRP 9 HE1 TRP 9 9.425 1.013 -1.243
68 HE3 TRP 9 HE3 TRP 9 7.830 1.506 3.790
69 HZ2 TRP 9 HZ2 TRP 9 11.552 1.765 0.513
70 HZ3 TRP 9 HZ3 TRP 9 10.118 2.118 4.542
71 HH2 TRP 9 HH2 TRP 9 11.972 2.252 2.904
72 H ARG 10 H ARG 10 4.865 2.228 -0.976
73 HA ARG 10 HA ARG 10 2.080 2.995 -1.114
74 1HB ARG 10 2HB ARG 10 4.150 3.272 -2.723
75 2HB ARG 10 1HB ARG 10 3.595 1.729 -3.374
76 1HG ARG 10 2HG ARG 10 1.368 2.673 -3.777
77 2HG ARG 10 1HG ARG 10 1.880 4.212 -3.085
78 1HD ARG 10 2HD ARG 10 3.576 4.468 -4.858
79 2HD ARG 10 1HD ARG 10 3.086 2.909 -5.552
80 HE ARG 10 HE ARG 10 1.049 5.057 -5.185
81 1HH1 ARG 10 1HH2 ARG 10 0.358 2.467 -6.501
82 2HH1 ARG 10 2HH2 ARG 10 0.484 2.864 -8.182
83 1HH2 ARG 10 2HH1 ARG 10 2.317 5.758 -7.623
84 2HH2 ARG 10 1HH1 ARG 10 1.598 4.733 -8.820
85 H GLN 11 H GLN 11 1.230 1.118 0.263
86 HA GLN 11 HA GLN 11 1.228 -1.545 -0.941
87 1HB GLN 11 2HB GLN 11 0.248 -0.169 1.496
88 2HB GLN 11 1HB GLN 11 -0.661 -1.601 1.011
89 1HG GLN 11 2HG GLN 11 1.422 -2.917 0.948
90 2HG GLN 11 1HG GLN 11 2.346 -1.489 1.413
91 1HE2 GLN 11 1HE2 GLN 11 2.324 -3.859 3.044
92 2HE2 GLN 11 2HE2 GLN 11 1.530 -3.493 4.499
93 H CYS 12 H CYS 12 -0.388 1.198 -1.885
94 HA CYS 12 HA CYS 12 -3.005 -0.104 -2.368
95 1HB CYS 12 2HB CYS 12 -2.631 2.310 -1.612
96 2HB CYS 12 1HB CYS 12 -2.069 2.631 -3.254
97 1HN NH2 13 1HT CYS 12 -0.322 -0.806 -3.872
98 2HN NH2 13 2HT CYS 12 -0.759 -0.706 -5.508