Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
611560 | 2nbc RC | 25971 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TRP 1 H TRP 1 1.807 0.000 0.856
2 HA TRP 1 HA TRP 1 1.877 0.922 -1.763
3 HB2 TRP 1 HB2 TRP 1 3.854 0.746 -0.280
4 HB3 TRP 1 HB3 TRP 1 3.814 -1.006 -0.463
5 HD1 TRP 1 HD1 TRP 1 5.095 2.110 -2.109
6 HE1 TRP 1 HE1 TRP 1 6.339 1.499 -4.277
7 HE3 TRP 1 HE3 TRP 1 3.707 -2.796 -2.486
8 HZ2 TRP 1 HZ2 TRP 1 6.685 -0.763 -5.930
9 HZ3 TRP 1 HZ3 TRP 1 4.537 -4.113 -4.391
10 HH2 TRP 1 HH2 TRP 1 5.995 -3.116 -6.077
11 H CYS 2 H CYS 2 1.521 0.043 -3.710
12 HA CYS 2 HA CYS 2 1.153 -2.874 -3.874
13 HB2 CYS 2 HB2 CYS 2 -0.676 -0.681 -4.695
14 HB3 CYS 2 HB3 CYS 2 -0.552 -2.063 -5.779
15 H ALA 3 H ALA 3 1.241 -3.665 -6.176
16 HA ALA 3 HA ALA 3 3.689 -2.996 -7.342
17 HB1 ALA 3 HB1 ALA 3 3.087 -4.465 -9.137
18 HB2 ALA 3 HB2 ALA 3 2.486 -5.155 -7.629
19 HB3 ALA 3 HB3 ALA 3 1.376 -4.339 -8.730
20 H SER 4 H SER 4 4.304 -1.644 -8.951
21 HA SER 4 HA SER 4 4.257 0.201 -10.287
22 HB2 SER 4 HB2 SER 4 2.807 -1.635 -11.535
23 HB3 SER 4 HB3 SER 4 1.505 -0.487 -11.227
24 HG SER 4 HG SER 4 2.303 0.220 -13.098
25 H GLY 5 H GLY 5 3.217 0.486 -7.597
26 HA2 GLY 5 HA2 GLY 5 2.203 2.095 -6.312
27 HA3 GLY 5 HA3 GLY 5 2.212 3.103 -7.752
28 H CYS 6 H CYS 6 0.586 0.058 -7.881
29 HA CYS 6 HA CYS 6 -1.846 1.120 -8.711
30 HB2 CYS 6 HB2 CYS 6 -0.970 -1.536 -7.669
31 HB3 CYS 6 HB3 CYS 6 -2.697 -1.225 -7.808
32 H ARG 7 H ARG 7 -3.973 0.459 -7.460
33 HA ARG 7 HA ARG 7 -3.826 1.867 -4.901
34 HB2 ARG 7 HB2 ARG 7 -5.950 1.402 -6.934
35 HB3 ARG 7 HB3 ARG 7 -6.455 1.601 -5.261
36 HG2 ARG 7 HG2 ARG 7 -4.583 3.582 -6.464
37 HG3 ARG 7 HG3 ARG 7 -6.303 3.658 -6.852
38 HD2 ARG 7 HD2 ARG 7 -6.641 3.527 -4.292
39 HD3 ARG 7 HD3 ARG 7 -4.944 3.996 -4.205
40 HE ARG 7 HE ARG 7 -7.162 5.669 -4.894
41 HH11 ARG 7 HH11 ARG 7 -3.746 5.165 -5.341
42 HH12 ARG 7 HH12 ARG 7 -3.415 6.828 -5.696
43 HH21 ARG 7 HH21 ARG 7 -6.738 7.861 -5.360
44 HH22 ARG 7 HH22 ARG 7 -5.117 8.361 -5.706
45 H LYS 8 H LYS 8 -4.536 1.009 -2.982
46 HA LYS 8 HA LYS 8 -4.549 -1.873 -2.816
47 HB2 LYS 8 HB2 LYS 8 -4.366 0.391 -0.911
48 HB3 LYS 8 HB3 LYS 8 -5.075 -1.094 -0.289
49 HG2 LYS 8 HG2 LYS 8 -3.094 -2.335 -0.837
50 HG3 LYS 8 HG3 LYS 8 -2.392 -0.931 -1.645
51 HD2 LYS 8 HD2 LYS 8 -3.099 -1.067 1.286
52 HD3 LYS 8 HD3 LYS 8 -1.479 -1.298 0.625
53 HE2 LYS 8 HE2 LYS 8 -1.683 0.990 -0.394
54 HE3 LYS 8 HE3 LYS 8 -3.169 1.194 0.533
55 HZ1 LYS 8 HZ1 LYS 8 -1.319 2.166 1.703
56 HZ2 LYS 8 HZ2 LYS 8 -0.460 0.710 1.649
57 HZ3 LYS 8 HZ3 LYS 8 -1.878 0.821 2.564
58 H LYS 9 H LYS 9 -6.214 -3.126 -1.835
59 HA LYS 9 HA LYS 9 -8.877 -1.872 -1.862
60 HB2 LYS 9 HB2 LYS 9 -8.364 -4.681 -2.829
61 HB3 LYS 9 HB3 LYS 9 -9.829 -3.723 -3.009
62 HG2 LYS 9 HG2 LYS 9 -8.714 -2.247 -4.566
63 HG3 LYS 9 HG3 LYS 9 -7.194 -3.113 -4.333
64 HD2 LYS 9 HD2 LYS 9 -9.730 -4.309 -5.449
65 HD3 LYS 9 HD3 LYS 9 -8.346 -3.777 -6.407
66 HE2 LYS 9 HE2 LYS 9 -7.772 -5.959 -6.223
67 HE3 LYS 9 HE3 LYS 9 -7.086 -5.403 -4.697
68 HZ1 LYS 9 HZ1 LYS 9 -9.193 -7.250 -5.143
69 HZ2 LYS 9 HZ2 LYS 9 -9.726 -5.979 -4.163
70 HZ3 LYS 9 HZ3 LYS 9 -8.376 -6.889 -3.706
71 H ARG 10 H ARG 10 -10.522 -3.165 -0.673
72 HA ARG 10 HA ARG 10 -9.739 -3.652 1.949
73 HB2 ARG 10 HB2 ARG 10 -12.111 -3.311 0.815
74 HB3 ARG 10 HB3 ARG 10 -12.132 -5.068 0.869
75 HG2 ARG 10 HG2 ARG 10 -12.237 -5.138 3.150
76 HG3 ARG 10 HG3 ARG 10 -11.422 -3.585 3.344
77 HD2 ARG 10 HD2 ARG 10 -14.092 -3.634 2.033
78 HD3 ARG 10 HD3 ARG 10 -14.013 -3.856 3.780
79 HE ARG 10 HE ARG 10 -13.631 -1.425 2.348
80 HH11 ARG 10 HH11 ARG 10 -12.627 -3.185 5.179
81 HH12 ARG 10 HH12 ARG 10 -12.214 -1.762 6.077
82 HH21 ARG 10 HH21 ARG 10 -13.091 0.456 3.520
83 HH22 ARG 10 HH22 ARG 10 -12.480 0.309 5.133
84 H HIS 11 H HIS 11 -10.202 -5.910 -0.731
85 HA HIS 11 HA HIS 11 -9.881 -8.291 0.724
86 HB2 HIS 11 HB2 HIS 11 -9.473 -7.573 -2.169
87 HB3 HIS 11 HB3 HIS 11 -9.121 -9.194 -1.576
88 HD1 HIS 11 HD1 HIS 11 -11.120 -9.680 -3.406
89 HD2 HIS 11 HD2 HIS 11 -12.198 -7.913 0.197
90 HE1 HIS 11 HE1 HIS 11 -13.598 -10.052 -3.190
91 H GLY 12 H GLY 12 -7.618 -5.894 -0.232
92 HA2 GLY 12 HA2 GLY 12 -5.460 -5.839 0.833
93 HA3 GLY 12 HA3 GLY 12 -5.442 -7.596 0.789
94 H GLY 13 H GLY 13 -6.560 -7.279 -2.078
95 HA2 GLY 13 HA2 GLY 13 -4.030 -7.544 -3.373
96 HA3 GLY 13 HA3 GLY 13 -5.603 -7.534 -4.157
97 H CYS 14 H CYS 14 -4.268 -6.328 -5.783
98 HA CYS 14 HA CYS 14 -4.372 -3.452 -5.167
99 HB2 CYS 14 HB2 CYS 14 -2.277 -4.744 -6.920
100 HB3 CYS 14 HB3 CYS 14 -2.350 -3.061 -6.410
101 H SER 15 H SER 15 -5.277 -2.166 -6.694
102 HA SER 15 HA SER 15 -6.512 -3.521 -8.971
103 HB2 SER 15 HB2 SER 15 -8.101 -2.280 -7.724
104 HB3 SER 15 HB3 SER 15 -7.034 -0.881 -7.608
105 HG SER 15 HG SER 15 -8.686 -0.607 -9.182
106 H CYS 16 H CYS 16 -5.669 -3.369 -10.931
107 HA CYS 16 HA CYS 16 -4.061 -0.994 -11.602
108 HB2 CYS 16 HB2 CYS 16 -3.473 -3.796 -12.571
109 HB3 CYS 16 HB3 CYS 16 -2.491 -2.355 -12.813
110 HN1 NH2 17 H2 NH2 17 -5.094 -1.146 -15.068
111 HN2 NH2 17 H1 NH2 17 -3.720 -0.907 -14.083
Start of MODEL 2
1 H1 TRP 1 H TRP 1 1.639 0.013 0.992
2 HA TRP 1 HA TRP 1 1.882 1.222 -1.626
3 HB2 TRP 1 HB2 TRP 1 3.847 0.933 -0.129
4 HB3 TRP 1 HB3 TRP 1 3.672 -0.813 -0.279
5 HD1 TRP 1 HD1 TRP 1 5.120 2.187 -2.027
6 HE1 TRP 1 HE1 TRP 1 6.322 1.435 -4.176
7 HE3 TRP 1 HE3 TRP 1 3.492 -2.656 -2.215
8 HZ2 TRP 1 HZ2 TRP 1 6.548 -0.901 -5.744
9 HZ3 TRP 1 HZ3 TRP 1 4.247 -4.083 -4.072
10 HH2 TRP 1 HH2 TRP 1 5.743 -3.221 -5.799
11 H CYS 2 H CYS 2 1.699 0.215 -3.579
12 HA CYS 2 HA CYS 2 0.944 -2.628 -3.579
13 HB2 CYS 2 HB2 CYS 2 -0.591 -0.302 -4.578
14 HB3 CYS 2 HB3 CYS 2 -0.542 -1.705 -5.641
15 H ALA 3 H ALA 3 0.863 -3.405 -5.990
16 HA ALA 3 HA ALA 3 3.498 -3.088 -7.024
17 HB1 ALA 3 HB1 ALA 3 2.518 -5.218 -7.278
18 HB2 ALA 3 HB2 ALA 3 1.068 -4.547 -8.029
19 HB3 ALA 3 HB3 ALA 3 2.602 -4.532 -8.901
20 H SER 4 H SER 4 4.251 -1.824 -8.617
21 HA SER 4 HA SER 4 4.349 -0.116 -10.120
22 HB2 SER 4 HB2 SER 4 3.190 -1.880 -11.490
23 HB3 SER 4 HB3 SER 4 1.654 -1.129 -11.051
24 HG SER 4 HG SER 4 3.473 -0.377 -12.920
25 H GLY 5 H GLY 5 3.017 0.325 -7.517
26 HA2 GLY 5 HA2 GLY 5 2.027 2.100 -6.444
27 HA3 GLY 5 HA3 GLY 5 2.150 2.983 -7.958
28 H CYS 6 H CYS 6 0.415 -0.044 -7.600
29 HA CYS 6 HA CYS 6 -1.944 1.042 -8.748
30 HB2 CYS 6 HB2 CYS 6 -1.161 -1.593 -7.576
31 HB3 CYS 6 HB3 CYS 6 -2.873 -1.256 -7.819
32 H ARG 7 H ARG 7 -4.128 0.461 -7.561
33 HA ARG 7 HA ARG 7 -4.089 2.011 -5.095
34 HB2 ARG 7 HB2 ARG 7 -6.164 1.251 -7.096
35 HB3 ARG 7 HB3 ARG 7 -6.690 1.602 -5.455
36 HG2 ARG 7 HG2 ARG 7 -5.284 3.764 -5.741
37 HG3 ARG 7 HG3 ARG 7 -5.432 3.413 -7.464
38 HD2 ARG 7 HD2 ARG 7 -7.727 3.694 -5.528
39 HD3 ARG 7 HD3 ARG 7 -7.193 4.933 -6.662
40 HE ARG 7 HE ARG 7 -7.771 2.520 -8.026
41 HH11 ARG 7 HH11 ARG 7 -9.307 5.215 -6.446
42 HH12 ARG 7 HH12 ARG 7 -10.755 5.112 -7.391
43 HH21 ARG 7 HH21 ARG 7 -9.671 2.374 -9.278
44 HH22 ARG 7 HH22 ARG 7 -10.962 3.494 -9.002
45 H LYS 8 H LYS 8 -4.541 1.228 -3.113
46 HA LYS 8 HA LYS 8 -4.468 -1.597 -2.702
47 HB2 LYS 8 HB2 LYS 8 -4.520 0.826 -0.993
48 HB3 LYS 8 HB3 LYS 8 -5.116 -0.659 -0.264
49 HG2 LYS 8 HG2 LYS 8 -3.024 -1.763 -0.663
50 HG3 LYS 8 HG3 LYS 8 -2.423 -0.380 -1.581
51 HD2 LYS 8 HD2 LYS 8 -1.443 -0.041 0.483
52 HD3 LYS 8 HD3 LYS 8 -2.907 0.937 0.616
53 HE2 LYS 8 HE2 LYS 8 -2.672 -0.321 2.635
54 HE3 LYS 8 HE3 LYS 8 -4.015 -1.005 1.721
55 HZ1 LYS 8 HZ1 LYS 8 -1.258 -2.102 1.711
56 HZ2 LYS 8 HZ2 LYS 8 -2.625 -2.794 0.995
57 HZ3 LYS 8 HZ3 LYS 8 -2.513 -2.689 2.680
58 H LYS 9 H LYS 9 -6.060 -2.906 -1.705
59 HA LYS 9 HA LYS 9 -8.799 -1.850 -1.750
60 HB2 LYS 9 HB2 LYS 9 -8.116 -4.578 -2.832
61 HB3 LYS 9 HB3 LYS 9 -9.641 -3.711 -2.963
62 HG2 LYS 9 HG2 LYS 9 -8.574 -2.068 -4.431
63 HG3 LYS 9 HG3 LYS 9 -7.053 -2.957 -4.308
64 HD2 LYS 9 HD2 LYS 9 -9.641 -4.035 -5.429
65 HD3 LYS 9 HD3 LYS 9 -8.253 -3.496 -6.377
66 HE2 LYS 9 HE2 LYS 9 -7.800 -5.724 -6.321
67 HE3 LYS 9 HE3 LYS 9 -6.999 -5.246 -4.826
68 HZ1 LYS 9 HZ1 LYS 9 -9.234 -6.972 -5.201
69 HZ2 LYS 9 HZ2 LYS 9 -9.596 -5.734 -4.108
70 HZ3 LYS 9 HZ3 LYS 9 -8.271 -6.746 -3.828
71 H ARG 10 H ARG 10 -10.292 -2.973 -0.405
72 HA ARG 10 HA ARG 10 -9.315 -3.722 2.087
73 HB2 ARG 10 HB2 ARG 10 -11.567 -4.418 2.616
74 HB3 ARG 10 HB3 ARG 10 -11.633 -2.961 1.634
75 HG2 ARG 10 HG2 ARG 10 -13.211 -4.134 0.538
76 HG3 ARG 10 HG3 ARG 10 -11.809 -4.795 -0.305
77 HD2 ARG 10 HD2 ARG 10 -11.950 -6.812 0.755
78 HD3 ARG 10 HD3 ARG 10 -12.657 -6.118 2.213
79 HE ARG 10 HE ARG 10 -14.518 -5.869 0.148
80 HH11 ARG 10 HH11 ARG 10 -12.964 -8.367 2.009
81 HH12 ARG 10 HH12 ARG 10 -14.289 -9.474 1.873
82 HH21 ARG 10 HH21 ARG 10 -16.269 -7.317 -0.039
83 HH22 ARG 10 HH22 ARG 10 -16.169 -8.876 0.707
84 H HIS 11 H HIS 11 -10.004 -5.657 -0.749
85 HA HIS 11 HA HIS 11 -9.950 -8.196 0.474
86 HB2 HIS 11 HB2 HIS 11 -9.448 -7.255 -2.341
87 HB3 HIS 11 HB3 HIS 11 -9.295 -8.953 -1.900
88 HD1 HIS 11 HD1 HIS 11 -11.366 -10.279 -2.137
89 HD2 HIS 11 HD2 HIS 11 -12.170 -6.232 -1.648
90 HE1 HIS 11 HE1 HIS 11 -13.861 -10.057 -2.367
91 H GLY 12 H GLY 12 -7.464 -5.947 -0.245
92 HA2 GLY 12 HA2 GLY 12 -5.314 -6.213 0.805
93 HA3 GLY 12 HA3 GLY 12 -5.465 -7.949 0.577
94 H GLY 13 H GLY 13 -6.540 -7.215 -2.233
95 HA2 GLY 13 HA2 GLY 13 -3.990 -7.503 -3.535
96 HA3 GLY 13 HA3 GLY 13 -5.561 -7.436 -4.319
97 H CYS 14 H CYS 14 -4.219 -6.141 -5.868
98 HA CYS 14 HA CYS 14 -4.368 -3.306 -5.107
99 HB2 CYS 14 HB2 CYS 14 -2.121 -4.582 -6.682
100 HB3 CYS 14 HB3 CYS 14 -2.296 -2.860 -6.359
101 H SER 15 H SER 15 -5.765 -2.315 -6.388
102 HA SER 15 HA SER 15 -6.787 -3.457 -8.766
103 HB2 SER 15 HB2 SER 15 -8.312 -2.037 -7.748
104 HB3 SER 15 HB3 SER 15 -7.091 -0.816 -7.385
105 HG SER 15 HG SER 15 -8.737 -0.937 -9.472
106 H CYS 16 H CYS 16 -5.902 -3.510 -10.713
107 HA CYS 16 HA CYS 16 -4.200 -1.276 -11.570
108 HB2 CYS 16 HB2 CYS 16 -3.543 -4.169 -12.141
109 HB3 CYS 16 HB3 CYS 16 -2.558 -2.756 -12.507
110 HN1 NH2 17 H2 NH2 17 -5.257 -1.573 -14.936
111 HN2 NH2 17 H1 NH2 17 -4.044 -1.011 -13.873
Start of MODEL 3
1 H1 TRP 1 H TRP 1 1.665 0.788 0.778
2 HA TRP 1 HA TRP 1 1.661 1.530 -1.939
3 HB2 TRP 1 HB2 TRP 1 3.637 1.675 -0.434
4 HB3 TRP 1 HB3 TRP 1 3.756 -0.082 -0.468
5 HD1 TRP 1 HD1 TRP 1 4.717 2.993 -2.402
6 HE1 TRP 1 HE1 TRP 1 6.027 2.312 -4.512
7 HE3 TRP 1 HE3 TRP 1 3.860 -2.047 -2.301
8 HZ2 TRP 1 HZ2 TRP 1 6.617 -0.048 -5.943
9 HZ3 TRP 1 HZ3 TRP 1 4.833 -3.445 -4.076
10 HH2 TRP 1 HH2 TRP 1 6.182 -2.463 -5.860
11 H CYS 2 H CYS 2 1.732 0.353 -3.819
12 HA CYS 2 HA CYS 2 1.538 -2.563 -3.639
13 HB2 CYS 2 HB2 CYS 2 -0.569 -0.708 -4.578
14 HB3 CYS 2 HB3 CYS 2 -0.274 -2.113 -5.598
15 H ALA 3 H ALA 3 1.509 -3.497 -5.970
16 HA ALA 3 HA ALA 3 3.907 -2.707 -7.230
17 HB1 ALA 3 HB1 ALA 3 3.118 -4.997 -7.323
18 HB2 ALA 3 HB2 ALA 3 1.701 -4.495 -8.246
19 HB3 ALA 3 HB3 ALA 3 3.309 -4.354 -8.954
20 H SER 4 H SER 4 4.310 -1.583 -9.099
21 HA SER 4 HA SER 4 4.028 0.092 -10.619
22 HB2 SER 4 HB2 SER 4 2.761 -1.899 -11.649
23 HB3 SER 4 HB3 SER 4 1.293 -1.056 -11.156
24 HG SER 4 HG SER 4 2.503 -0.678 -13.361
25 H GLY 5 H GLY 5 3.195 0.640 -7.905
26 HA2 GLY 5 HA2 GLY 5 2.151 2.307 -6.723
27 HA3 GLY 5 HA3 GLY 5 1.998 3.148 -8.259
28 H CYS 6 H CYS 6 0.568 0.018 -7.921
29 HA CYS 6 HA CYS 6 -1.976 0.831 -8.693
30 HB2 CYS 6 HB2 CYS 6 -0.836 -1.623 -7.454
31 HB3 CYS 6 HB3 CYS 6 -2.587 -1.435 -7.410
32 H ARG 7 H ARG 7 -3.970 0.211 -7.222
33 HA ARG 7 HA ARG 7 -3.649 1.732 -4.721
34 HB2 ARG 7 HB2 ARG 7 -5.925 1.510 -6.668
35 HB3 ARG 7 HB3 ARG 7 -6.210 2.008 -5.006
36 HG2 ARG 7 HG2 ARG 7 -4.868 3.942 -5.260
37 HG3 ARG 7 HG3 ARG 7 -4.243 3.383 -6.813
38 HD2 ARG 7 HD2 ARG 7 -6.454 3.595 -7.800
39 HD3 ARG 7 HD3 ARG 7 -7.121 4.084 -6.242
40 HE ARG 7 HE ARG 7 -5.029 5.826 -6.929
41 HH11 ARG 7 HH11 ARG 7 -8.263 5.001 -7.918
42 HH12 ARG 7 HH12 ARG 7 -8.618 6.580 -8.534
43 HH21 ARG 7 HH21 ARG 7 -5.484 7.909 -7.736
44 HH22 ARG 7 HH22 ARG 7 -7.036 8.234 -8.431
45 H LYS 8 H LYS 8 -3.748 0.561 -2.933
46 HA LYS 8 HA LYS 8 -4.346 -2.139 -2.779
47 HB2 LYS 8 HB2 LYS 8 -3.701 -0.028 -0.951
48 HB3 LYS 8 HB3 LYS 8 -5.003 -0.995 -0.271
49 HG2 LYS 8 HG2 LYS 8 -3.399 -2.970 -1.063
50 HG3 LYS 8 HG3 LYS 8 -2.188 -1.710 -0.814
51 HD2 LYS 8 HD2 LYS 8 -2.822 -1.434 1.462
52 HD3 LYS 8 HD3 LYS 8 -4.265 -2.426 1.246
53 HE2 LYS 8 HE2 LYS 8 -2.759 -4.353 0.725
54 HE3 LYS 8 HE3 LYS 8 -1.392 -3.333 1.172
55 HZ1 LYS 8 HZ1 LYS 8 -2.134 -4.766 2.996
56 HZ2 LYS 8 HZ2 LYS 8 -3.654 -4.023 2.968
57 HZ3 LYS 8 HZ3 LYS 8 -2.282 -3.126 3.385
58 H LYS 9 H LYS 9 -6.127 -3.272 -1.825
59 HA LYS 9 HA LYS 9 -8.689 -1.829 -1.925
60 HB2 LYS 9 HB2 LYS 9 -8.351 -4.652 -2.930
61 HB3 LYS 9 HB3 LYS 9 -9.739 -3.591 -3.129
62 HG2 LYS 9 HG2 LYS 9 -8.509 -2.182 -4.642
63 HG3 LYS 9 HG3 LYS 9 -7.035 -3.113 -4.363
64 HD2 LYS 9 HD2 LYS 9 -9.576 -4.218 -5.558
65 HD3 LYS 9 HD3 LYS 9 -8.168 -3.696 -6.486
66 HE2 LYS 9 HE2 LYS 9 -7.639 -5.893 -6.329
67 HE3 LYS 9 HE3 LYS 9 -6.963 -5.373 -4.785
68 HZ1 LYS 9 HZ1 LYS 9 -9.003 -7.235 -5.250
69 HZ2 LYS 9 HZ2 LYS 9 -9.673 -5.936 -4.401
70 HZ3 LYS 9 HZ3 LYS 9 -8.336 -6.758 -3.770
71 H ARG 10 H ARG 10 -10.461 -3.029 -0.814
72 HA ARG 10 HA ARG 10 -9.801 -3.605 1.823
73 HB2 ARG 10 HB2 ARG 10 -12.251 -4.643 0.396
74 HB3 ARG 10 HB3 ARG 10 -12.077 -4.303 2.112
75 HG2 ARG 10 HG2 ARG 10 -11.646 -1.881 1.389
76 HG3 ARG 10 HG3 ARG 10 -12.315 -2.378 -0.167
77 HD2 ARG 10 HD2 ARG 10 -14.248 -3.335 1.319
78 HD3 ARG 10 HD3 ARG 10 -13.642 -2.170 2.497
79 HE ARG 10 HE ARG 10 -15.149 -1.601 0.144
80 HH11 ARG 10 HH11 ARG 10 -12.696 -0.350 2.274
81 HH12 ARG 10 HH12 ARG 10 -13.042 1.308 1.911
82 HH21 ARG 10 HH21 ARG 10 -15.614 0.578 -0.343
83 HH22 ARG 10 HH22 ARG 10 -14.703 1.835 0.423
84 H HIS 11 H HIS 11 -10.190 -5.752 -0.939
85 HA HIS 11 HA HIS 11 -10.119 -8.188 0.494
86 HB2 HIS 11 HB2 HIS 11 -9.477 -7.496 -2.372
87 HB3 HIS 11 HB3 HIS 11 -9.414 -9.144 -1.757
88 HD1 HIS 11 HD1 HIS 11 -11.474 -10.392 -2.259
89 HD2 HIS 11 HD2 HIS 11 -12.236 -6.350 -1.677
90 HE1 HIS 11 HE1 HIS 11 -13.951 -10.121 -2.592
91 H GLY 12 H GLY 12 -7.690 -5.908 -0.298
92 HA2 GLY 12 HA2 GLY 12 -5.574 -6.016 0.845
93 HA3 GLY 12 HA3 GLY 12 -5.653 -7.768 0.734
94 H GLY 13 H GLY 13 -6.641 -7.282 -2.157
95 HA2 GLY 13 HA2 GLY 13 -4.081 -7.639 -3.368
96 HA3 GLY 13 HA3 GLY 13 -5.619 -7.518 -4.208
97 H CYS 14 H CYS 14 -4.164 -6.329 -5.740
98 HA CYS 14 HA CYS 14 -4.062 -3.482 -4.985
99 HB2 CYS 14 HB2 CYS 14 -2.133 -4.955 -6.792
100 HB3 CYS 14 HB3 CYS 14 -2.091 -3.233 -6.432
101 H SER 15 H SER 15 -5.475 -2.336 -6.110
102 HA SER 15 HA SER 15 -6.758 -3.354 -8.448
103 HB2 SER 15 HB2 SER 15 -7.724 -1.755 -6.667
104 HB3 SER 15 HB3 SER 15 -6.879 -0.481 -7.548
105 HG SER 15 HG SER 15 -8.729 -0.501 -8.605
106 H CYS 16 H CYS 16 -6.082 -3.237 -10.475
107 HA CYS 16 HA CYS 16 -4.297 -1.030 -11.253
108 HB2 CYS 16 HB2 CYS 16 -4.011 -3.866 -12.259
109 HB3 CYS 16 HB3 CYS 16 -2.925 -2.511 -12.551
110 HN1 NH2 17 H2 NH2 17 -5.652 -0.898 -14.556
111 HN2 NH2 17 H1 NH2 17 -4.243 -0.666 -13.619
Start of MODEL 4
1 H1 TRP 1 H TRP 1 1.424 -0.812 0.967
2 HA TRP 1 HA TRP 1 1.984 0.475 -1.523
3 HB2 TRP 1 HB2 TRP 1 3.735 -0.109 0.146
4 HB3 TRP 1 HB3 TRP 1 3.458 -1.813 -0.201
5 HD1 TRP 1 HD1 TRP 1 5.369 1.173 -1.410
6 HE1 TRP 1 HE1 TRP 1 6.732 0.548 -3.501
7 HE3 TRP 1 HE3 TRP 1 3.290 -3.391 -2.398
8 HZ2 TRP 1 HZ2 TRP 1 6.904 -1.597 -5.329
9 HZ3 TRP 1 HZ3 TRP 1 4.109 -4.665 -4.337
10 HH2 TRP 1 HH2 TRP 1 5.879 -3.785 -5.771
11 H CYS 2 H CYS 2 1.782 -0.265 -3.559
12 HA CYS 2 HA CYS 2 1.079 -3.081 -3.979
13 HB2 CYS 2 HB2 CYS 2 -0.583 -0.703 -4.590
14 HB3 CYS 2 HB3 CYS 2 -0.511 -1.944 -5.835
15 H ALA 3 H ALA 3 1.262 -3.732 -6.275
16 HA ALA 3 HA ALA 3 3.746 -3.006 -7.351
17 HB1 ALA 3 HB1 ALA 3 2.399 -5.152 -7.708
18 HB2 ALA 3 HB2 ALA 3 1.561 -4.262 -8.979
19 HB3 ALA 3 HB3 ALA 3 3.304 -4.515 -9.081
20 H SER 4 H SER 4 4.366 -1.659 -8.987
21 HA SER 4 HA SER 4 4.326 0.225 -10.267
22 HB2 SER 4 HB2 SER 4 2.987 -1.500 -11.643
23 HB3 SER 4 HB3 SER 4 1.561 -0.590 -11.144
24 HG SER 4 HG SER 4 2.960 -0.049 -13.191
25 H GLY 5 H GLY 5 3.329 0.468 -7.564
26 HA2 GLY 5 HA2 GLY 5 2.314 2.031 -6.226
27 HA3 GLY 5 HA3 GLY 5 2.367 3.093 -7.626
28 H CYS 6 H CYS 6 0.668 0.107 -7.926
29 HA CYS 6 HA CYS 6 -1.729 1.272 -8.721
30 HB2 CYS 6 HB2 CYS 6 -0.911 -1.454 -7.839
31 HB3 CYS 6 HB3 CYS 6 -2.634 -1.105 -7.927
32 H ARG 7 H ARG 7 -3.886 0.603 -7.531
33 HA ARG 7 HA ARG 7 -3.754 1.908 -4.924
34 HB2 ARG 7 HB2 ARG 7 -5.948 1.360 -6.895
35 HB3 ARG 7 HB3 ARG 7 -6.343 1.733 -5.222
36 HG2 ARG 7 HG2 ARG 7 -4.943 3.820 -5.492
37 HG3 ARG 7 HG3 ARG 7 -4.926 3.467 -7.221
38 HD2 ARG 7 HD2 ARG 7 -7.527 3.285 -6.873
39 HD3 ARG 7 HD3 ARG 7 -7.188 4.295 -5.469
40 HE ARG 7 HE ARG 7 -6.003 5.288 -7.883
41 HH11 ARG 7 HH11 ARG 7 -8.910 5.195 -5.970
42 HH12 ARG 7 HH12 ARG 7 -9.537 6.677 -6.614
43 HH21 ARG 7 HH21 ARG 7 -6.817 7.240 -8.737
44 HH22 ARG 7 HH22 ARG 7 -8.346 7.839 -8.188
45 H LYS 8 H LYS 8 -4.689 1.034 -3.049
46 HA LYS 8 HA LYS 8 -4.547 -1.859 -2.918
47 HB2 LYS 8 HB2 LYS 8 -4.536 0.378 -0.967
48 HB3 LYS 8 HB3 LYS 8 -5.187 -1.156 -0.404
49 HG2 LYS 8 HG2 LYS 8 -3.164 -2.243 -0.604
50 HG3 LYS 8 HG3 LYS 8 -2.544 -1.091 -1.788
51 HD2 LYS 8 HD2 LYS 8 -1.362 -0.497 0.103
52 HD3 LYS 8 HD3 LYS 8 -2.736 0.610 0.181
53 HE2 LYS 8 HE2 LYS 8 -2.894 -2.051 1.530
54 HE3 LYS 8 HE3 LYS 8 -2.006 -0.736 2.298
55 HZ1 LYS 8 HZ1 LYS 8 -4.747 -1.175 2.325
56 HZ2 LYS 8 HZ2 LYS 8 -4.500 0.212 1.390
57 HZ3 LYS 8 HZ3 LYS 8 -3.907 0.143 2.972
58 H LYS 9 H LYS 9 -6.211 -3.129 -1.840
59 HA LYS 9 HA LYS 9 -8.910 -1.985 -2.068
60 HB2 LYS 9 HB2 LYS 9 -8.255 -4.805 -2.907
61 HB3 LYS 9 HB3 LYS 9 -9.744 -3.911 -3.184
62 HG2 LYS 9 HG2 LYS 9 -8.564 -2.415 -4.713
63 HG3 LYS 9 HG3 LYS 9 -7.071 -3.315 -4.437
64 HD2 LYS 9 HD2 LYS 9 -9.611 -4.466 -5.591
65 HD3 LYS 9 HD3 LYS 9 -8.197 -3.975 -6.527
66 HE2 LYS 9 HE2 LYS 9 -7.733 -6.193 -6.306
67 HE3 LYS 9 HE3 LYS 9 -6.978 -5.603 -4.826
68 HZ1 LYS 9 HZ1 LYS 9 -9.753 -6.201 -4.475
69 HZ2 LYS 9 HZ2 LYS 9 -8.416 -6.730 -3.583
70 HZ3 LYS 9 HZ3 LYS 9 -8.873 -7.552 -4.989
71 H ARG 10 H ARG 10 -10.564 -3.328 -0.924
72 HA ARG 10 HA ARG 10 -9.902 -3.670 1.755
73 HB2 ARG 10 HB2 ARG 10 -12.214 -3.398 0.672
74 HB3 ARG 10 HB3 ARG 10 -12.170 -5.139 0.427
75 HG2 ARG 10 HG2 ARG 10 -11.625 -4.106 3.155
76 HG3 ARG 10 HG3 ARG 10 -13.284 -4.054 2.557
77 HD2 ARG 10 HD2 ARG 10 -12.712 -6.548 1.864
78 HD3 ARG 10 HD3 ARG 10 -11.554 -6.386 3.185
79 HE ARG 10 HE ARG 10 -14.362 -6.709 3.424
80 HH11 ARG 10 HH11 ARG 10 -11.637 -5.094 4.869
81 HH12 ARG 10 HH12 ARG 10 -12.353 -5.015 6.445
82 HH21 ARG 10 HH21 ARG 10 -15.315 -6.611 5.493
83 HH22 ARG 10 HH22 ARG 10 -14.445 -5.880 6.799
84 H HIS 11 H HIS 11 -10.162 -6.077 -0.832
85 HA HIS 11 HA HIS 11 -9.754 -8.359 0.753
86 HB2 HIS 11 HB2 HIS 11 -9.153 -7.844 -2.164
87 HB3 HIS 11 HB3 HIS 11 -9.033 -9.429 -1.407
88 HD1 HIS 11 HD1 HIS 11 -10.907 -10.354 -2.937
89 HD2 HIS 11 HD2 HIS 11 -12.094 -7.212 -0.493
90 HE1 HIS 11 HE1 HIS 11 -13.419 -10.332 -3.044
91 H GLY 12 H GLY 12 -7.603 -5.887 -0.233
92 HA2 GLY 12 HA2 GLY 12 -5.476 -5.685 0.877
93 HA3 GLY 12 HA3 GLY 12 -5.361 -7.438 0.882
94 H GLY 13 H GLY 13 -6.420 -7.277 -2.013
95 HA2 GLY 13 HA2 GLY 13 -3.843 -7.406 -3.240
96 HA3 GLY 13 HA3 GLY 13 -5.392 -7.544 -4.058
97 H CYS 14 H CYS 14 -4.114 -6.301 -5.700
98 HA CYS 14 HA CYS 14 -4.299 -3.413 -5.137
99 HB2 CYS 14 HB2 CYS 14 -2.425 -4.685 -7.134
100 HB3 CYS 14 HB3 CYS 14 -2.430 -3.015 -6.578
101 H SER 15 H SER 15 -5.515 -2.209 -6.469
102 HA SER 15 HA SER 15 -6.954 -3.582 -8.598
103 HB2 SER 15 HB2 SER 15 -7.969 -2.004 -6.770
104 HB3 SER 15 HB3 SER 15 -7.427 -0.715 -7.845
105 HG SER 15 HG SER 15 -9.654 -1.951 -8.047
106 H CYS 16 H CYS 16 -5.342 -3.743 -10.182
107 HA CYS 16 HA CYS 16 -4.289 -1.228 -11.262
108 HB2 CYS 16 HB2 CYS 16 -3.512 -4.059 -11.988
109 HB3 CYS 16 HB3 CYS 16 -2.675 -2.582 -12.456
110 HN1 NH2 17 H2 NH2 17 -5.459 -1.630 -14.638
111 HN2 NH2 17 H1 NH2 17 -4.112 -1.155 -13.702
Start of MODEL 5
1 H1 TRP 1 H TRP 1 1.933 -0.166 1.023
2 HA TRP 1 HA TRP 1 2.020 0.713 -1.540
3 HB2 TRP 1 HB2 TRP 1 4.017 0.338 -0.146
4 HB3 TRP 1 HB3 TRP 1 3.839 -1.402 -0.364
5 HD1 TRP 1 HD1 TRP 1 5.303 1.650 -1.985
6 HE1 TRP 1 HE1 TRP 1 6.448 0.993 -4.194
7 HE3 TRP 1 HE3 TRP 1 3.563 -3.139 -2.410
8 HZ2 TRP 1 HZ2 TRP 1 6.594 -1.256 -5.893
9 HZ3 TRP 1 HZ3 TRP 1 4.252 -4.475 -4.357
10 HH2 TRP 1 HH2 TRP 1 5.736 -3.552 -6.062
11 H CYS 2 H CYS 2 1.792 -0.086 -3.576
12 HA CYS 2 HA CYS 2 1.128 -2.934 -3.871
13 HB2 CYS 2 HB2 CYS 2 -0.540 -0.575 -4.555
14 HB3 CYS 2 HB3 CYS 2 -0.508 -1.886 -5.730
15 H ALA 3 H ALA 3 1.234 -3.663 -6.157
16 HA ALA 3 HA ALA 3 3.700 -2.968 -7.318
17 HB1 ALA 3 HB1 ALA 3 3.141 -4.496 -9.076
18 HB2 ALA 3 HB2 ALA 3 2.565 -5.171 -7.551
19 HB3 ALA 3 HB3 ALA 3 1.427 -4.415 -8.667
20 H SER 4 H SER 4 4.247 -1.724 -9.064
21 HA SER 4 HA SER 4 4.140 0.077 -10.455
22 HB2 SER 4 HB2 SER 4 2.905 -1.598 -11.814
23 HB3 SER 4 HB3 SER 4 1.396 -1.033 -11.098
24 HG SER 4 HG SER 4 2.556 -0.083 -13.223
25 H GLY 5 H GLY 5 3.232 0.450 -7.720
26 HA2 GLY 5 HA2 GLY 5 2.283 2.098 -6.435
27 HA3 GLY 5 HA3 GLY 5 2.260 3.074 -7.897
28 H CYS 6 H CYS 6 0.577 0.083 -8.012
29 HA CYS 6 HA CYS 6 -1.867 1.205 -8.713
30 HB2 CYS 6 HB2 CYS 6 -0.983 -1.491 -7.797
31 HB3 CYS 6 HB3 CYS 6 -2.712 -1.157 -7.820
32 H ARG 7 H ARG 7 -3.958 0.572 -7.409
33 HA ARG 7 HA ARG 7 -3.685 1.889 -4.812
34 HB2 ARG 7 HB2 ARG 7 -6.053 1.348 -6.598
35 HB3 ARG 7 HB3 ARG 7 -6.223 1.970 -4.962
36 HG2 ARG 7 HG2 ARG 7 -4.548 3.333 -7.049
37 HG3 ARG 7 HG3 ARG 7 -6.265 3.672 -6.823
38 HD2 ARG 7 HD2 ARG 7 -4.122 3.953 -4.718
39 HD3 ARG 7 HD3 ARG 7 -4.848 5.277 -5.627
40 HE ARG 7 HE ARG 7 -6.985 4.078 -4.494
41 HH11 ARG 7 HH11 ARG 7 -3.958 5.243 -3.229
42 HH12 ARG 7 HH12 ARG 7 -4.608 5.632 -1.671
43 HH21 ARG 7 HH21 ARG 7 -7.853 4.586 -2.446
44 HH22 ARG 7 HH22 ARG 7 -6.824 5.257 -1.226
45 H LYS 8 H LYS 8 -4.584 1.038 -2.911
46 HA LYS 8 HA LYS 8 -4.521 -1.851 -2.782
47 HB2 LYS 8 HB2 LYS 8 -4.477 0.387 -0.831
48 HB3 LYS 8 HB3 LYS 8 -5.142 -1.140 -0.266
49 HG2 LYS 8 HG2 LYS 8 -3.111 -2.282 -0.668
50 HG3 LYS 8 HG3 LYS 8 -2.451 -0.926 -1.586
51 HD2 LYS 8 HD2 LYS 8 -1.402 -0.681 0.460
52 HD3 LYS 8 HD3 LYS 8 -2.791 0.394 0.631
53 HE2 LYS 8 HE2 LYS 8 -2.928 -2.469 1.510
54 HE3 LYS 8 HE3 LYS 8 -2.235 -1.232 2.555
55 HZ1 LYS 8 HZ1 LYS 8 -4.575 -0.132 1.727
56 HZ2 LYS 8 HZ2 LYS 8 -4.316 -0.886 3.219
57 HZ3 LYS 8 HZ3 LYS 8 -4.981 -1.761 1.933
58 H LYS 9 H LYS 9 -6.198 -3.168 -1.969
59 HA LYS 9 HA LYS 9 -8.883 -1.961 -2.091
60 HB2 LYS 9 HB2 LYS 9 -8.260 -4.777 -2.965
61 HB3 LYS 9 HB3 LYS 9 -9.734 -3.858 -3.242
62 HG2 LYS 9 HG2 LYS 9 -8.553 -2.378 -4.761
63 HG3 LYS 9 HG3 LYS 9 -7.045 -3.241 -4.451
64 HD2 LYS 9 HD2 LYS 9 -9.533 -4.440 -5.670
65 HD3 LYS 9 HD3 LYS 9 -8.094 -3.941 -6.562
66 HE2 LYS 9 HE2 LYS 9 -7.577 -6.135 -6.310
67 HE3 LYS 9 HE3 LYS 9 -6.935 -5.548 -4.777
68 HZ1 LYS 9 HZ1 LYS 9 -9.193 -7.269 -5.288
69 HZ2 LYS 9 HZ2 LYS 9 -9.507 -6.042 -4.167
70 HZ3 LYS 9 HZ3 LYS 9 -8.234 -7.124 -3.902
71 H ARG 10 H ARG 10 -10.559 -3.277 -0.964
72 HA ARG 10 HA ARG 10 -9.908 -3.680 1.708
73 HB2 ARG 10 HB2 ARG 10 -12.221 -3.411 0.477
74 HB3 ARG 10 HB3 ARG 10 -12.199 -5.169 0.494
75 HG2 ARG 10 HG2 ARG 10 -12.346 -5.283 2.794
76 HG3 ARG 10 HG3 ARG 10 -11.708 -3.652 3.018
77 HD2 ARG 10 HD2 ARG 10 -13.726 -2.660 2.624
78 HD3 ARG 10 HD3 ARG 10 -14.273 -3.949 1.553
79 HE ARG 10 HE ARG 10 -15.175 -5.023 3.364
80 HH11 ARG 10 HH11 ARG 10 -12.973 -2.565 4.471
81 HH12 ARG 10 HH12 ARG 10 -13.415 -2.734 6.137
82 HH21 ARG 10 HH21 ARG 10 -15.767 -5.255 5.554
83 HH22 ARG 10 HH22 ARG 10 -15.004 -4.265 6.752
84 H HIS 11 H HIS 11 -10.179 -6.019 -0.932
85 HA HIS 11 HA HIS 11 -9.856 -8.349 0.602
86 HB2 HIS 11 HB2 HIS 11 -9.242 -7.743 -2.289
87 HB3 HIS 11 HB3 HIS 11 -9.055 -9.350 -1.593
88 HD1 HIS 11 HD1 HIS 11 -10.943 -10.666 -2.511
89 HD2 HIS 11 HD2 HIS 11 -12.152 -6.908 -1.214
90 HE1 HIS 11 HE1 HIS 11 -13.446 -10.640 -2.761
91 H GLY 12 H GLY 12 -7.631 -5.902 -0.274
92 HA2 GLY 12 HA2 GLY 12 -5.524 -5.773 0.884
93 HA3 GLY 12 HA3 GLY 12 -5.447 -7.529 0.847
94 H GLY 13 H GLY 13 -6.448 -7.251 -2.068
95 HA2 GLY 13 HA2 GLY 13 -3.845 -7.413 -3.242
96 HA3 GLY 13 HA3 GLY 13 -5.379 -7.498 -4.096
97 H CYS 14 H CYS 14 -4.040 -6.241 -5.679
98 HA CYS 14 HA CYS 14 -4.225 -3.365 -5.063
99 HB2 CYS 14 HB2 CYS 14 -2.216 -4.624 -6.936
100 HB3 CYS 14 HB3 CYS 14 -2.273 -2.948 -6.402
101 H SER 15 H SER 15 -5.588 -2.279 -6.312
102 HA SER 15 HA SER 15 -6.833 -3.567 -8.568
103 HB2 SER 15 HB2 SER 15 -7.910 -1.965 -6.810
104 HB3 SER 15 HB3 SER 15 -7.273 -0.686 -7.842
105 HG SER 15 HG SER 15 -9.378 -2.402 -8.258
106 H CYS 16 H CYS 16 -5.752 -3.660 -10.427
107 HA CYS 16 HA CYS 16 -4.389 -1.220 -11.364
108 HB2 CYS 16 HB2 CYS 16 -3.668 -4.057 -12.116
109 HB3 CYS 16 HB3 CYS 16 -2.779 -2.591 -12.516
110 HN1 NH2 17 H2 NH2 17 -5.449 -1.784 -14.804
111 HN2 NH2 17 H1 NH2 17 -4.049 -1.441 -13.888
Start of MODEL 6
1 H1 TRP 1 H TRP 1 1.800 -0.805 0.254
2 HA TRP 1 HA TRP 1 2.123 1.080 -1.906
3 HB2 TRP 1 HB2 TRP 1 4.353 1.126 -0.841
4 HB3 TRP 1 HB3 TRP 1 4.476 -0.619 -1.050
5 HD1 TRP 1 HD1 TRP 1 5.021 2.630 -2.858
6 HE1 TRP 1 HE1 TRP 1 5.907 2.160 -5.230
7 HE3 TRP 1 HE3 TRP 1 4.244 -2.421 -3.030
8 HZ2 TRP 1 HZ2 TRP 1 6.231 -0.057 -6.945
9 HZ3 TRP 1 HZ3 TRP 1 4.869 -3.641 -5.074
10 HH2 TRP 1 HH2 TRP 1 5.841 -2.482 -6.990
11 H CYS 2 H CYS 2 1.452 0.192 -3.758
12 HA CYS 2 HA CYS 2 1.226 -2.744 -3.868
13 HB2 CYS 2 HB2 CYS 2 -0.638 -0.567 -4.606
14 HB3 CYS 2 HB3 CYS 2 -0.559 -1.922 -5.729
15 H ALA 3 H ALA 3 1.269 -3.661 -6.087
16 HA ALA 3 HA ALA 3 3.628 -3.049 -7.417
17 HB1 ALA 3 HB1 ALA 3 2.845 -5.182 -7.826
18 HB2 ALA 3 HB2 ALA 3 1.204 -4.628 -8.166
19 HB3 ALA 3 HB3 ALA 3 2.487 -4.362 -9.347
20 H SER 4 H SER 4 4.179 -1.779 -9.118
21 HA SER 4 HA SER 4 4.094 0.016 -10.517
22 HB2 SER 4 HB2 SER 4 2.748 -1.721 -11.785
23 HB3 SER 4 HB3 SER 4 1.298 -0.919 -11.179
24 HG SER 4 HG SER 4 2.370 -0.289 -13.337
25 H GLY 5 H GLY 5 3.230 0.434 -7.789
26 HA2 GLY 5 HA2 GLY 5 2.324 2.112 -6.511
27 HA3 GLY 5 HA3 GLY 5 2.262 3.061 -7.989
28 H CYS 6 H CYS 6 0.576 0.069 -7.998
29 HA CYS 6 HA CYS 6 -1.889 1.194 -8.644
30 HB2 CYS 6 HB2 CYS 6 -0.984 -1.502 -7.743
31 HB3 CYS 6 HB3 CYS 6 -2.711 -1.164 -7.738
32 H ARG 7 H ARG 7 -3.937 0.532 -7.267
33 HA ARG 7 HA ARG 7 -3.563 1.810 -4.656
34 HB2 ARG 7 HB2 ARG 7 -5.867 1.567 -6.550
35 HB3 ARG 7 HB3 ARG 7 -6.187 1.831 -4.841
36 HG2 ARG 7 HG2 ARG 7 -4.766 3.852 -4.928
37 HG3 ARG 7 HG3 ARG 7 -4.579 3.604 -6.665
38 HD2 ARG 7 HD2 ARG 7 -7.230 3.945 -5.273
39 HD3 ARG 7 HD3 ARG 7 -6.342 5.256 -6.048
40 HE ARG 7 HE ARG 7 -6.703 3.131 -7.868
41 HH11 ARG 7 HH11 ARG 7 -8.464 5.673 -6.270
42 HH12 ARG 7 HH12 ARG 7 -9.645 5.825 -7.529
43 HH21 ARG 7 HH21 ARG 7 -8.252 3.322 -9.533
44 HH22 ARG 7 HH22 ARG 7 -9.524 4.487 -9.383
45 H LYS 8 H LYS 8 -4.482 0.943 -2.768
46 HA LYS 8 HA LYS 8 -4.520 -1.942 -2.710
47 HB2 LYS 8 HB2 LYS 8 -4.408 0.247 -0.718
48 HB3 LYS 8 HB3 LYS 8 -5.165 -1.249 -0.184
49 HG2 LYS 8 HG2 LYS 8 -3.178 -2.497 -0.662
50 HG3 LYS 8 HG3 LYS 8 -2.420 -1.089 -1.409
51 HD2 LYS 8 HD2 LYS 8 -2.085 -0.030 0.623
52 HD3 LYS 8 HD3 LYS 8 -3.360 -0.950 1.427
53 HE2 LYS 8 HE2 LYS 8 -1.174 -1.672 2.201
54 HE3 LYS 8 HE3 LYS 8 -1.968 -2.966 1.304
55 HZ1 LYS 8 HZ1 LYS 8 -0.115 -1.142 -0.078
56 HZ2 LYS 8 HZ2 LYS 8 -0.538 -2.732 -0.469
57 HZ3 LYS 8 HZ3 LYS 8 0.496 -2.429 0.835
58 H LYS 9 H LYS 9 -6.239 -3.240 -1.979
59 HA LYS 9 HA LYS 9 -8.890 -1.960 -2.111
60 HB2 LYS 9 HB2 LYS 9 -8.321 -4.787 -2.986
61 HB3 LYS 9 HB3 LYS 9 -9.767 -3.833 -3.282
62 HG2 LYS 9 HG2 LYS 9 -8.547 -2.385 -4.786
63 HG3 LYS 9 HG3 LYS 9 -7.049 -3.252 -4.439
64 HD2 LYS 9 HD2 LYS 9 -9.510 -4.463 -5.695
65 HD3 LYS 9 HD3 LYS 9 -8.068 -3.947 -6.573
66 HE2 LYS 9 HE2 LYS 9 -7.526 -6.135 -6.316
67 HE3 LYS 9 HE3 LYS 9 -6.912 -5.542 -4.773
68 HZ1 LYS 9 HZ1 LYS 9 -9.670 -6.186 -4.587
69 HZ2 LYS 9 HZ2 LYS 9 -8.369 -6.789 -3.690
70 HZ3 LYS 9 HZ3 LYS 9 -8.792 -7.515 -5.158
71 H ARG 10 H ARG 10 -10.622 -3.348 -1.073
72 HA ARG 10 HA ARG 10 -10.079 -3.709 1.628
73 HB2 ARG 10 HB2 ARG 10 -12.292 -4.927 -0.035
74 HB3 ARG 10 HB3 ARG 10 -12.262 -4.885 1.723
75 HG2 ARG 10 HG2 ARG 10 -11.960 -2.289 1.283
76 HG3 ARG 10 HG3 ARG 10 -12.782 -2.712 -0.221
77 HD2 ARG 10 HD2 ARG 10 -14.603 -2.296 1.082
78 HD3 ARG 10 HD3 ARG 10 -14.377 -4.005 1.451
79 HE ARG 10 HE ARG 10 -12.883 -2.566 3.296
80 HH11 ARG 10 HH11 ARG 10 -16.225 -2.954 2.400
81 HH12 ARG 10 HH12 ARG 10 -16.825 -2.628 3.992
82 HH21 ARG 10 HH21 ARG 10 -13.661 -2.137 5.397
83 HH22 ARG 10 HH22 ARG 10 -15.366 -2.164 5.696
84 H HIS 11 H HIS 11 -10.237 -6.105 -0.980
85 HA HIS 11 HA HIS 11 -9.864 -8.389 0.614
86 HB2 HIS 11 HB2 HIS 11 -9.122 -7.904 -2.278
87 HB3 HIS 11 HB3 HIS 11 -9.142 -9.484 -1.500
88 HD1 HIS 11 HD1 HIS 11 -11.167 -10.730 -2.132
89 HD2 HIS 11 HD2 HIS 11 -11.919 -6.658 -1.794
90 HE1 HIS 11 HE1 HIS 11 -13.614 -10.454 -2.642
91 H GLY 12 H GLY 12 -7.699 -5.905 -0.305
92 HA2 GLY 12 HA2 GLY 12 -5.604 -5.696 0.864
93 HA3 GLY 12 HA3 GLY 12 -5.480 -7.450 0.865
94 H GLY 13 H GLY 13 -6.469 -7.259 -2.062
95 HA2 GLY 13 HA2 GLY 13 -3.880 -7.432 -3.231
96 HA3 GLY 13 HA3 GLY 13 -5.412 -7.472 -4.094
97 H CYS 14 H CYS 14 -4.033 -6.238 -5.660
98 HA CYS 14 HA CYS 14 -4.167 -3.362 -5.032
99 HB2 CYS 14 HB2 CYS 14 -2.137 -4.651 -6.864
100 HB3 CYS 14 HB3 CYS 14 -2.178 -2.974 -6.328
101 H SER 15 H SER 15 -5.548 -2.297 -6.271
102 HA SER 15 HA SER 15 -6.709 -3.544 -8.594
103 HB2 SER 15 HB2 SER 15 -7.831 -1.976 -6.805
104 HB3 SER 15 HB3 SER 15 -7.231 -0.688 -7.849
105 HG SER 15 HG SER 15 -9.288 -1.251 -8.519
106 H CYS 16 H CYS 16 -6.250 -3.175 -10.676
107 HA CYS 16 HA CYS 16 -4.594 -0.857 -11.380
108 HB2 CYS 16 HB2 CYS 16 -4.066 -3.640 -12.434
109 HB3 CYS 16 HB3 CYS 16 -3.115 -2.190 -12.735
110 HN1 NH2 17 H2 NH2 17 -5.894 -0.890 -14.743
111 HN2 NH2 17 H1 NH2 17 -4.468 -0.631 -13.839
Start of MODEL 7
1 H1 TRP 1 H TRP 1 1.664 -0.946 0.539
2 HA TRP 1 HA TRP 1 1.837 0.937 -1.717
3 HB2 TRP 1 HB2 TRP 1 3.961 0.921 -0.449
4 HB3 TRP 1 HB3 TRP 1 4.080 -0.818 -0.697
5 HD1 TRP 1 HD1 TRP 1 4.828 2.470 -2.354
6 HE1 TRP 1 HE1 TRP 1 5.921 2.053 -4.647
7 HE3 TRP 1 HE3 TRP 1 4.009 -2.561 -2.741
8 HZ2 TRP 1 HZ2 TRP 1 6.374 -0.120 -6.390
9 HZ3 TRP 1 HZ3 TRP 1 4.802 -3.734 -4.754
10 HH2 TRP 1 HH2 TRP 1 5.961 -2.537 -6.539
11 H CYS 2 H CYS 2 1.350 0.105 -3.654
12 HA CYS 2 HA CYS 2 1.126 -2.827 -3.869
13 HB2 CYS 2 HB2 CYS 2 -0.696 -0.634 -4.696
14 HB3 CYS 2 HB3 CYS 2 -0.551 -1.998 -5.798
15 H ALA 3 H ALA 3 1.283 -3.638 -6.142
16 HA ALA 3 HA ALA 3 3.731 -2.908 -7.287
17 HB1 ALA 3 HB1 ALA 3 2.770 -5.121 -7.574
18 HB2 ALA 3 HB2 ALA 3 1.450 -4.443 -8.528
19 HB3 ALA 3 HB3 ALA 3 3.103 -4.385 -9.142
20 H SER 4 H SER 4 4.296 -1.684 -9.048
21 HA SER 4 HA SER 4 4.200 0.113 -10.446
22 HB2 SER 4 HB2 SER 4 2.910 -1.659 -11.728
23 HB3 SER 4 HB3 SER 4 1.435 -0.880 -11.156
24 HG SER 4 HG SER 4 1.693 0.372 -12.818
25 H GLY 5 H GLY 5 3.280 0.524 -7.736
26 HA2 GLY 5 HA2 GLY 5 2.291 2.165 -6.474
27 HA3 GLY 5 HA3 GLY 5 2.285 3.130 -7.943
28 H CYS 6 H CYS 6 0.614 0.109 -7.962
29 HA CYS 6 HA CYS 6 -1.829 1.228 -8.733
30 HB2 CYS 6 HB2 CYS 6 -0.939 -1.464 -7.810
31 HB3 CYS 6 HB3 CYS 6 -2.668 -1.139 -7.858
32 H ARG 7 H ARG 7 -3.924 0.551 -7.439
33 HA ARG 7 HA ARG 7 -3.692 1.889 -4.850
34 HB2 ARG 7 HB2 ARG 7 -5.947 1.390 -6.759
35 HB3 ARG 7 HB3 ARG 7 -6.296 1.745 -5.073
36 HG2 ARG 7 HG2 ARG 7 -4.852 3.812 -5.363
37 HG3 ARG 7 HG3 ARG 7 -4.930 3.489 -7.096
38 HD2 ARG 7 HD2 ARG 7 -7.230 4.036 -5.229
39 HD3 ARG 7 HD3 ARG 7 -6.649 5.064 -6.538
40 HE ARG 7 HE ARG 7 -8.394 2.799 -6.762
41 HH11 ARG 7 HH11 ARG 7 -6.045 4.759 -8.423
42 HH12 ARG 7 HH12 ARG 7 -6.645 4.371 -10.002
43 HH21 ARG 7 HH21 ARG 7 -9.194 2.281 -8.835
44 HH22 ARG 7 HH22 ARG 7 -8.436 2.962 -10.235
45 H LYS 8 H LYS 8 -4.698 1.048 -2.963
46 HA LYS 8 HA LYS 8 -4.524 -1.842 -2.799
47 HB2 LYS 8 HB2 LYS 8 -4.549 0.414 -0.874
48 HB3 LYS 8 HB3 LYS 8 -5.203 -1.115 -0.299
49 HG2 LYS 8 HG2 LYS 8 -3.103 -2.227 -0.891
50 HG3 LYS 8 HG3 LYS 8 -2.449 -0.683 -1.443
51 HD2 LYS 8 HD2 LYS 8 -3.461 -1.140 1.356
52 HD3 LYS 8 HD3 LYS 8 -1.779 -1.388 0.885
53 HE2 LYS 8 HE2 LYS 8 -3.229 1.202 0.405
54 HE3 LYS 8 HE3 LYS 8 -2.370 0.864 1.907
55 HZ1 LYS 8 HZ1 LYS 8 -0.733 0.269 -0.325
56 HZ2 LYS 8 HZ2 LYS 8 -0.456 1.359 0.938
57 HZ3 LYS 8 HZ3 LYS 8 -1.304 1.857 -0.438
58 H LYS 9 H LYS 9 -6.187 -3.118 -1.729
59 HA LYS 9 HA LYS 9 -8.893 -1.999 -1.974
60 HB2 LYS 9 HB2 LYS 9 -8.212 -4.804 -2.843
61 HB3 LYS 9 HB3 LYS 9 -9.707 -3.919 -3.116
62 HG2 LYS 9 HG2 LYS 9 -8.491 -2.372 -4.598
63 HG3 LYS 9 HG3 LYS 9 -7.030 -3.336 -4.366
64 HD2 LYS 9 HD2 LYS 9 -9.623 -4.372 -5.510
65 HD3 LYS 9 HD3 LYS 9 -8.221 -3.881 -6.463
66 HE2 LYS 9 HE2 LYS 9 -7.837 -6.129 -6.329
67 HE3 LYS 9 HE3 LYS 9 -6.982 -5.591 -4.884
68 HZ1 LYS 9 HZ1 LYS 9 -8.302 -6.852 -3.659
69 HZ2 LYS 9 HZ2 LYS 9 -9.085 -7.410 -5.051
70 HZ3 LYS 9 HZ3 LYS 9 -9.676 -6.051 -4.234
71 H ARG 10 H ARG 10 -10.530 -3.206 -0.767
72 HA ARG 10 HA ARG 10 -9.797 -3.681 1.874
73 HB2 ARG 10 HB2 ARG 10 -12.229 -4.855 0.525
74 HB3 ARG 10 HB3 ARG 10 -12.037 -4.456 2.227
75 HG2 ARG 10 HG2 ARG 10 -11.694 -2.039 1.382
76 HG3 ARG 10 HG3 ARG 10 -12.439 -2.631 -0.105
77 HD2 ARG 10 HD2 ARG 10 -14.391 -3.370 1.170
78 HD3 ARG 10 HD3 ARG 10 -13.644 -2.786 2.656
79 HE ARG 10 HE ARG 10 -15.011 -1.226 0.687
80 HH11 ARG 10 HH11 ARG 10 -12.503 -1.158 3.101
81 HH12 ARG 10 HH12 ARG 10 -12.628 0.549 3.371
82 HH21 ARG 10 HH21 ARG 10 -15.185 1.022 1.033
83 HH22 ARG 10 HH22 ARG 10 -14.155 1.787 2.195
84 H HIS 11 H HIS 11 -10.115 -5.901 -0.833
85 HA HIS 11 HA HIS 11 -9.939 -8.301 0.653
86 HB2 HIS 11 HB2 HIS 11 -9.379 -7.632 -2.233
87 HB3 HIS 11 HB3 HIS 11 -9.189 -9.263 -1.595
88 HD1 HIS 11 HD1 HIS 11 -11.164 -10.654 -2.061
89 HD2 HIS 11 HD2 HIS 11 -12.199 -6.672 -1.475
90 HE1 HIS 11 HE1 HIS 11 -13.662 -10.561 -2.340
91 H GLY 12 H GLY 12 -7.615 -5.938 -0.193
92 HA2 GLY 12 HA2 GLY 12 -5.488 -5.942 0.935
93 HA3 GLY 12 HA3 GLY 12 -5.494 -7.697 0.846
94 H GLY 13 H GLY 13 -6.521 -7.294 -2.042
95 HA2 GLY 13 HA2 GLY 13 -3.927 -7.495 -3.251
96 HA3 GLY 13 HA3 GLY 13 -5.474 -7.572 -4.082
97 H CYS 14 H CYS 14 -4.155 -6.311 -5.678
98 HA CYS 14 HA CYS 14 -4.313 -3.437 -5.043
99 HB2 CYS 14 HB2 CYS 14 -2.358 -4.701 -6.971
100 HB3 CYS 14 HB3 CYS 14 -2.390 -3.025 -6.429
101 H SER 15 H SER 15 -5.052 -2.051 -6.664
102 HA SER 15 HA SER 15 -6.565 -3.401 -8.791
103 HB2 SER 15 HB2 SER 15 -7.953 -2.083 -7.296
104 HB3 SER 15 HB3 SER 15 -6.928 -0.668 -7.539
105 HG SER 15 HG SER 15 -8.733 -0.510 -8.863
106 H CYS 16 H CYS 16 -5.764 -3.309 -10.770
107 HA CYS 16 HA CYS 16 -4.219 -0.930 -11.562
108 HB2 CYS 16 HB2 CYS 16 -3.648 -3.737 -12.519
109 HB3 CYS 16 HB3 CYS 16 -2.684 -2.292 -12.805
110 HN1 NH2 17 H2 NH2 17 -5.671 -0.763 -14.762
111 HN2 NH2 17 H1 NH2 17 -4.403 -0.274 -13.729
Start of MODEL 8
1 H1 TRP 1 H TRP 1 1.600 0.194 0.805
2 HA TRP 1 HA TRP 1 1.709 1.264 -1.847
3 HB2 TRP 1 HB2 TRP 1 3.678 1.204 -0.346
4 HB3 TRP 1 HB3 TRP 1 3.672 -0.555 -0.435
5 HD1 TRP 1 HD1 TRP 1 4.912 2.491 -2.234
6 HE1 TRP 1 HE1 TRP 1 6.179 1.789 -4.361
7 HE3 TRP 1 HE3 TRP 1 3.605 -2.450 -2.364
8 HZ2 TRP 1 HZ2 TRP 1 6.574 -0.550 -5.891
9 HZ3 TRP 1 HZ3 TRP 1 4.470 -3.850 -4.193
10 HH2 TRP 1 HH2 TRP 1 5.923 -2.919 -5.920
11 H CYS 2 H CYS 2 1.555 0.245 -3.779
12 HA CYS 2 HA CYS 2 1.189 -2.672 -3.779
13 HB2 CYS 2 HB2 CYS 2 -0.688 -0.575 -4.725
14 HB3 CYS 2 HB3 CYS 2 -0.513 -1.999 -5.745
15 H ALA 3 H ALA 3 1.297 -3.566 -6.054
16 HA ALA 3 HA ALA 3 3.750 -2.876 -7.227
17 HB1 ALA 3 HB1 ALA 3 1.594 -4.346 -8.707
18 HB2 ALA 3 HB2 ALA 3 3.343 -4.566 -8.784
19 HB3 ALA 3 HB3 ALA 3 2.451 -5.085 -7.353
20 H SER 4 H SER 4 4.302 -1.711 -9.029
21 HA SER 4 HA SER 4 4.191 0.023 -10.502
22 HB2 SER 4 HB2 SER 4 2.704 -1.898 -11.542
23 HB3 SER 4 HB3 SER 4 1.400 -0.749 -11.246
24 HG SER 4 HG SER 4 2.766 0.796 -12.417
25 H GLY 5 H GLY 5 3.293 0.538 -7.803
26 HA2 GLY 5 HA2 GLY 5 2.326 2.238 -6.602
27 HA3 GLY 5 HA3 GLY 5 2.279 3.132 -8.114
28 H CYS 6 H CYS 6 0.640 0.116 -8.052
29 HA CYS 6 HA CYS 6 -1.830 1.187 -8.777
30 HB2 CYS 6 HB2 CYS 6 -0.906 -1.474 -7.787
31 HB3 CYS 6 HB3 CYS 6 -2.637 -1.160 -7.841
32 H ARG 7 H ARG 7 -3.892 0.522 -7.421
33 HA ARG 7 HA ARG 7 -3.607 1.907 -4.859
34 HB2 ARG 7 HB2 ARG 7 -5.894 1.417 -6.731
35 HB3 ARG 7 HB3 ARG 7 -6.215 1.792 -5.044
36 HG2 ARG 7 HG2 ARG 7 -4.775 3.844 -5.360
37 HG3 ARG 7 HG3 ARG 7 -4.832 3.499 -7.089
38 HD2 ARG 7 HD2 ARG 7 -7.408 3.401 -6.695
39 HD3 ARG 7 HD3 ARG 7 -7.031 4.325 -5.243
40 HE ARG 7 HE ARG 7 -6.704 6.155 -6.562
41 HH11 ARG 7 HH11 ARG 7 -6.434 3.299 -8.536
42 HH12 ARG 7 HH12 ARG 7 -6.287 4.180 -10.019
43 HH21 ARG 7 HH21 ARG 7 -6.511 7.326 -8.510
44 HH22 ARG 7 HH22 ARG 7 -6.330 6.470 -10.004
45 H LYS 8 H LYS 8 -4.692 1.110 -2.965
46 HA LYS 8 HA LYS 8 -4.470 -1.770 -2.729
47 HB2 LYS 8 HB2 LYS 8 -4.619 0.529 -0.861
48 HB3 LYS 8 HB3 LYS 8 -5.259 -1.001 -0.275
49 HG2 LYS 8 HG2 LYS 8 -3.183 -2.068 -0.457
50 HG3 LYS 8 HG3 LYS 8 -2.524 -0.795 -1.486
51 HD2 LYS 8 HD2 LYS 8 -1.547 -0.359 0.578
52 HD3 LYS 8 HD3 LYS 8 -2.927 0.742 0.552
53 HE2 LYS 8 HE2 LYS 8 -3.179 -1.994 1.742
54 HE3 LYS 8 HE3 LYS 8 -2.475 -0.674 2.674
55 HZ1 LYS 8 HZ1 LYS 8 -5.229 -1.003 1.708
56 HZ2 LYS 8 HZ2 LYS 8 -4.620 0.559 1.923
57 HZ3 LYS 8 HZ3 LYS 8 -4.677 -0.513 3.230
58 H LYS 9 H LYS 9 -6.144 -3.049 -1.659
59 HA LYS 9 HA LYS 9 -8.864 -2.001 -2.007
60 HB2 LYS 9 HB2 LYS 9 -8.101 -4.783 -2.880
61 HB3 LYS 9 HB3 LYS 9 -9.606 -3.925 -3.187
62 HG2 LYS 9 HG2 LYS 9 -8.384 -2.346 -4.626
63 HG3 LYS 9 HG3 LYS 9 -6.907 -3.274 -4.355
64 HD2 LYS 9 HD2 LYS 9 -9.441 -4.320 -5.618
65 HD3 LYS 9 HD3 LYS 9 -7.973 -3.862 -6.484
66 HE2 LYS 9 HE2 LYS 9 -6.731 -5.594 -5.275
67 HE3 LYS 9 HE3 LYS 9 -8.203 -6.053 -4.421
68 HZ1 LYS 9 HZ1 LYS 9 -8.754 -6.077 -7.157
69 HZ2 LYS 9 HZ2 LYS 9 -8.699 -7.390 -6.094
70 HZ3 LYS 9 HZ3 LYS 9 -7.305 -6.921 -6.930
71 H ARG 10 H ARG 10 -10.498 -3.199 -0.822
72 HA ARG 10 HA ARG 10 -9.805 -3.714 1.820
73 HB2 ARG 10 HB2 ARG 10 -12.076 -3.153 1.197
74 HB3 ARG 10 HB3 ARG 10 -12.220 -4.629 0.251
75 HG2 ARG 10 HG2 ARG 10 -13.381 -4.786 2.398
76 HG3 ARG 10 HG3 ARG 10 -12.078 -5.969 2.261
77 HD2 ARG 10 HD2 ARG 10 -10.741 -4.868 3.790
78 HD3 ARG 10 HD3 ARG 10 -11.543 -3.319 3.530
79 HE ARG 10 HE ARG 10 -13.459 -4.945 4.629
80 HH11 ARG 10 HH11 ARG 10 -10.288 -3.839 5.551
81 HH12 ARG 10 HH12 ARG 10 -10.623 -3.891 7.251
82 HH21 ARG 10 HH21 ARG 10 -13.910 -5.017 6.864
83 HH22 ARG 10 HH22 ARG 10 -12.682 -4.562 7.997
84 H HIS 11 H HIS 11 -10.227 -5.944 -0.887
85 HA HIS 11 HA HIS 11 -10.025 -8.342 0.562
86 HB2 HIS 11 HB2 HIS 11 -9.210 -7.788 -2.299
87 HB3 HIS 11 HB3 HIS 11 -9.469 -9.382 -1.599
88 HD1 HIS 11 HD1 HIS 11 -11.161 -8.991 -3.912
89 HD2 HIS 11 HD2 HIS 11 -12.289 -7.498 -0.202
90 HE1 HIS 11 HE1 HIS 11 -13.653 -8.681 -4.041
91 H GLY 12 H GLY 12 -7.678 -5.983 -0.217
92 HA2 GLY 12 HA2 GLY 12 -5.567 -6.016 0.939
93 HA3 GLY 12 HA3 GLY 12 -5.579 -7.770 0.822
94 H GLY 13 H GLY 13 -6.565 -7.316 -2.072
95 HA2 GLY 13 HA2 GLY 13 -3.960 -7.523 -3.252
96 HA3 GLY 13 HA3 GLY 13 -5.496 -7.556 -4.106
97 H CYS 14 H CYS 14 -4.135 -6.282 -5.656
98 HA CYS 14 HA CYS 14 -4.270 -3.420 -4.964
99 HB2 CYS 14 HB2 CYS 14 -2.263 -4.699 -6.829
100 HB3 CYS 14 HB3 CYS 14 -2.314 -3.012 -6.330
101 H SER 15 H SER 15 -5.544 -2.237 -6.225
102 HA SER 15 HA SER 15 -6.826 -3.457 -8.508
103 HB2 SER 15 HB2 SER 15 -7.883 -1.878 -6.719
104 HB3 SER 15 HB3 SER 15 -7.206 -0.586 -7.709
105 HG SER 15 HG SER 15 -8.432 -1.292 -9.434
106 H CYS 16 H CYS 16 -6.072 -3.351 -10.506
107 HA CYS 16 HA CYS 16 -4.468 -1.008 -11.292
108 HB2 CYS 16 HB2 CYS 16 -4.011 -3.854 -12.212
109 HB3 CYS 16 HB3 CYS 16 -3.054 -2.444 -12.653
110 HN1 NH2 17 H2 NH2 17 -5.666 -1.347 -14.747
111 HN2 NH2 17 H1 NH2 17 -4.192 -1.252 -13.889
Start of MODEL 9
1 H1 TRP 1 H TRP 1 0.979 0.105 0.554
2 HA TRP 1 HA TRP 1 1.147 1.495 -2.034
3 HB2 TRP 1 HB2 TRP 1 3.117 1.714 -0.542
4 HB3 TRP 1 HB3 TRP 1 3.305 -0.038 -0.568
5 HD1 TRP 1 HD1 TRP 1 4.133 3.065 -2.527
6 HE1 TRP 1 HE1 TRP 1 5.484 2.426 -4.622
7 HE3 TRP 1 HE3 TRP 1 3.522 -2.009 -2.371
8 HZ2 TRP 1 HZ2 TRP 1 6.195 0.082 -6.025
9 HZ3 TRP 1 HZ3 TRP 1 4.569 -3.377 -4.127
10 HH2 TRP 1 HH2 TRP 1 5.878 -2.351 -5.916
11 H CYS 2 H CYS 2 1.322 0.350 -3.938
12 HA CYS 2 HA CYS 2 1.178 -2.575 -3.790
13 HB2 CYS 2 HB2 CYS 2 -0.874 -0.726 -4.879
14 HB3 CYS 2 HB3 CYS 2 -0.531 -2.173 -5.823
15 H ALA 3 H ALA 3 1.483 -3.583 -5.975
16 HA ALA 3 HA ALA 3 3.874 -2.776 -7.128
17 HB1 ALA 3 HB1 ALA 3 3.316 -4.345 -8.963
18 HB2 ALA 3 HB2 ALA 3 3.084 -5.037 -7.357
19 HB3 ALA 3 HB3 ALA 3 1.691 -4.496 -8.294
20 H SER 4 H SER 4 4.444 -1.548 -8.864
21 HA SER 4 HA SER 4 4.310 0.138 -10.387
22 HB2 SER 4 HB2 SER 4 3.123 -1.709 -11.628
23 HB3 SER 4 HB3 SER 4 1.600 -1.013 -11.074
24 HG SER 4 HG SER 4 3.335 -0.145 -13.030
25 H GLY 5 H GLY 5 3.326 0.638 -7.710
26 HA2 GLY 5 HA2 GLY 5 2.299 2.332 -6.551
27 HA3 GLY 5 HA3 GLY 5 2.229 3.198 -8.078
28 H CYS 6 H CYS 6 0.711 0.116 -7.955
29 HA CYS 6 HA CYS 6 -1.792 1.068 -8.729
30 HB2 CYS 6 HB2 CYS 6 -0.743 -1.522 -7.705
31 HB3 CYS 6 HB3 CYS 6 -2.489 -1.294 -7.690
32 H ARG 7 H ARG 7 -3.839 0.360 -7.373
33 HA ARG 7 HA ARG 7 -3.603 1.768 -4.811
34 HB2 ARG 7 HB2 ARG 7 -6.002 1.178 -6.552
35 HB3 ARG 7 HB3 ARG 7 -6.094 1.958 -4.977
36 HG2 ARG 7 HG2 ARG 7 -4.363 3.613 -6.059
37 HG3 ARG 7 HG3 ARG 7 -5.069 3.010 -7.559
38 HD2 ARG 7 HD2 ARG 7 -6.419 4.823 -7.102
39 HD3 ARG 7 HD3 ARG 7 -7.332 3.504 -6.371
40 HE ARG 7 HE ARG 7 -6.960 4.434 -4.310
41 HH11 ARG 7 HH11 ARG 7 -4.799 5.877 -6.628
42 HH12 ARG 7 HH12 ARG 7 -4.232 7.096 -5.535
43 HH21 ARG 7 HH21 ARG 7 -6.221 6.034 -2.862
44 HH22 ARG 7 HH22 ARG 7 -5.040 7.184 -3.393
45 H LYS 8 H LYS 8 -4.453 0.920 -2.907
46 HA LYS 8 HA LYS 8 -4.468 -1.968 -2.780
47 HB2 LYS 8 HB2 LYS 8 -4.323 0.267 -0.836
48 HB3 LYS 8 HB3 LYS 8 -5.036 -1.234 -0.256
49 HG2 LYS 8 HG2 LYS 8 -3.046 -2.453 -0.739
50 HG3 LYS 8 HG3 LYS 8 -2.341 -1.073 -1.583
51 HD2 LYS 8 HD2 LYS 8 -1.883 0.057 0.367
52 HD3 LYS 8 HD3 LYS 8 -3.169 -0.753 1.264
53 HE2 LYS 8 HE2 LYS 8 -1.888 -2.762 1.422
54 HE3 LYS 8 HE3 LYS 8 -0.673 -2.143 0.305
55 HZ1 LYS 8 HZ1 LYS 8 0.259 -1.872 2.405
56 HZ2 LYS 8 HZ2 LYS 8 -1.183 -1.325 3.098
57 HZ3 LYS 8 HZ3 LYS 8 -0.327 -0.328 2.032
58 H LYS 9 H LYS 9 -6.161 -3.205 -1.784
59 HA LYS 9 HA LYS 9 -8.816 -1.940 -1.913
60 HB2 LYS 9 HB2 LYS 9 -8.290 -4.772 -2.801
61 HB3 LYS 9 HB3 LYS 9 -9.746 -3.814 -3.041
62 HG2 LYS 9 HG2 LYS 9 -8.497 -2.330 -4.551
63 HG3 LYS 9 HG3 LYS 9 -7.069 -3.348 -4.342
64 HD2 LYS 9 HD2 LYS 9 -9.717 -4.323 -5.409
65 HD3 LYS 9 HD3 LYS 9 -8.358 -3.826 -6.419
66 HE2 LYS 9 HE2 LYS 9 -7.928 -6.057 -6.334
67 HE3 LYS 9 HE3 LYS 9 -7.077 -5.565 -4.870
68 HZ1 LYS 9 HZ1 LYS 9 -8.852 -7.518 -4.908
69 HZ2 LYS 9 HZ2 LYS 9 -9.899 -6.229 -4.584
70 HZ3 LYS 9 HZ3 LYS 9 -8.601 -6.547 -3.546
71 H ARG 10 H ARG 10 -10.489 -3.120 -0.698
72 HA ARG 10 HA ARG 10 -9.736 -3.610 1.936
73 HB2 ARG 10 HB2 ARG 10 -12.026 -4.564 2.204
74 HB3 ARG 10 HB3 ARG 10 -11.999 -2.991 1.419
75 HG2 ARG 10 HG2 ARG 10 -11.843 -4.879 -0.644
76 HG3 ARG 10 HG3 ARG 10 -13.069 -5.475 0.478
77 HD2 ARG 10 HD2 ARG 10 -14.436 -3.656 0.163
78 HD3 ARG 10 HD3 ARG 10 -13.102 -2.598 -0.294
79 HE ARG 10 HE ARG 10 -13.332 -4.538 -2.270
80 HH11 ARG 10 HH11 ARG 10 -15.224 -1.930 -0.951
81 HH12 ARG 10 HH12 ARG 10 -16.056 -1.609 -2.437
82 HH21 ARG 10 HH21 ARG 10 -14.420 -4.125 -4.232
83 HH22 ARG 10 HH22 ARG 10 -15.598 -2.859 -4.301
84 H HIS 11 H HIS 11 -10.131 -5.814 -0.769
85 HA HIS 11 HA HIS 11 -9.989 -8.215 0.740
86 HB2 HIS 11 HB2 HIS 11 -9.473 -7.626 -2.177
87 HB3 HIS 11 HB3 HIS 11 -9.428 -9.250 -1.497
88 HD1 HIS 11 HD1 HIS 11 -11.607 -10.457 -1.328
89 HD2 HIS 11 HD2 HIS 11 -12.104 -6.383 -1.976
90 HE1 HIS 11 HE1 HIS 11 -14.070 -10.134 -1.719
91 H GLY 12 H GLY 12 -7.646 -5.920 -0.217
92 HA2 GLY 12 HA2 GLY 12 -5.473 -5.977 0.817
93 HA3 GLY 12 HA3 GLY 12 -5.526 -7.731 0.734
94 H GLY 13 H GLY 13 -6.670 -7.298 -2.109
95 HA2 GLY 13 HA2 GLY 13 -4.184 -7.655 -3.453
96 HA3 GLY 13 HA3 GLY 13 -5.763 -7.522 -4.213
97 H CYS 14 H CYS 14 -4.378 -6.346 -5.817
98 HA CYS 14 HA CYS 14 -4.289 -3.492 -5.101
99 HB2 CYS 14 HB2 CYS 14 -2.311 -4.904 -6.902
100 HB3 CYS 14 HB3 CYS 14 -2.285 -3.204 -6.445
101 H SER 15 H SER 15 -5.700 -2.394 -6.275
102 HA SER 15 HA SER 15 -6.950 -3.481 -8.590
103 HB2 SER 15 HB2 SER 15 -8.102 -1.939 -7.028
104 HB3 SER 15 HB3 SER 15 -7.030 -0.638 -7.549
105 HG SER 15 HG SER 15 -8.683 -2.099 -9.326
106 H CYS 16 H CYS 16 -5.682 -3.780 -10.337
107 HA CYS 16 HA CYS 16 -4.222 -1.433 -11.363
108 HB2 CYS 16 HB2 CYS 16 -3.493 -4.322 -11.870
109 HB3 CYS 16 HB3 CYS 16 -2.558 -2.893 -12.298
110 HN1 NH2 17 H2 NH2 17 -5.300 -1.874 -14.715
111 HN2 NH2 17 H1 NH2 17 -4.073 -1.270 -13.693
Start of MODEL 10
1 H1 TRP 1 H TRP 1 1.941 0.415 0.792
2 HA TRP 1 HA TRP 1 1.767 1.259 -1.834
3 HB2 TRP 1 HB2 TRP 1 3.843 1.302 -0.503
4 HB3 TRP 1 HB3 TRP 1 3.945 -0.453 -0.614
5 HD1 TRP 1 HD1 TRP 1 4.815 2.691 -2.477
6 HE1 TRP 1 HE1 TRP 1 5.983 2.089 -4.690
7 HE3 TRP 1 HE3 TRP 1 3.914 -2.342 -2.530
8 HZ2 TRP 1 HZ2 TRP 1 6.460 -0.214 -6.251
9 HZ3 TRP 1 HZ3 TRP 1 4.760 -3.672 -4.419
10 HH2 TRP 1 HH2 TRP 1 6.007 -2.628 -6.240
11 H CYS 2 H CYS 2 1.360 0.321 -3.742
12 HA CYS 2 HA CYS 2 1.143 -2.618 -3.812
13 HB2 CYS 2 HB2 CYS 2 -0.703 -0.493 -4.770
14 HB3 CYS 2 HB3 CYS 2 -0.541 -1.927 -5.779
15 H ALA 3 H ALA 3 1.359 -3.543 -6.023
16 HA ALA 3 HA ALA 3 3.792 -2.832 -7.189
17 HB1 ALA 3 HB1 ALA 3 1.543 -4.405 -8.442
18 HB2 ALA 3 HB2 ALA 3 3.230 -4.406 -8.957
19 HB3 ALA 3 HB3 ALA 3 2.790 -5.061 -7.381
20 H SER 4 H SER 4 4.370 -1.645 -8.960
21 HA SER 4 HA SER 4 4.275 0.092 -10.433
22 HB2 SER 4 HB2 SER 4 3.087 -1.683 -11.731
23 HB3 SER 4 HB3 SER 4 1.558 -1.057 -11.115
24 HG SER 4 HG SER 4 1.988 0.896 -12.163
25 H GLY 5 H GLY 5 3.290 0.570 -7.746
26 HA2 GLY 5 HA2 GLY 5 2.292 2.268 -6.565
27 HA3 GLY 5 HA3 GLY 5 2.261 3.163 -8.078
28 H CYS 6 H CYS 6 0.661 0.124 -8.048
29 HA CYS 6 HA CYS 6 -1.807 1.152 -8.826
30 HB2 CYS 6 HB2 CYS 6 -0.880 -1.484 -7.765
31 HB3 CYS 6 HB3 CYS 6 -2.611 -1.188 -7.888
32 H ARG 7 H ARG 7 -3.888 0.483 -7.505
33 HA ARG 7 HA ARG 7 -3.692 1.940 -4.981
34 HB2 ARG 7 HB2 ARG 7 -6.169 1.040 -6.462
35 HB3 ARG 7 HB3 ARG 7 -6.101 2.166 -5.113
36 HG2 ARG 7 HG2 ARG 7 -4.616 3.598 -6.635
37 HG3 ARG 7 HG3 ARG 7 -5.210 2.571 -7.942
38 HD2 ARG 7 HD2 ARG 7 -6.928 4.170 -6.047
39 HD3 ARG 7 HD3 ARG 7 -6.531 4.630 -7.702
40 HE ARG 7 HE ARG 7 -7.762 2.045 -7.498
41 HH11 ARG 7 HH11 ARG 7 -8.336 5.471 -7.719
42 HH12 ARG 7 HH12 ARG 7 -9.921 5.294 -8.394
43 HH21 ARG 7 HH21 ARG 7 -9.848 1.798 -8.386
44 HH22 ARG 7 HH22 ARG 7 -10.782 3.204 -8.772
45 H LYS 8 H LYS 8 -4.831 1.167 -3.084
46 HA LYS 8 HA LYS 8 -4.495 -1.706 -2.760
47 HB2 LYS 8 HB2 LYS 8 -4.619 0.642 -0.953
48 HB3 LYS 8 HB3 LYS 8 -5.233 -0.875 -0.307
49 HG2 LYS 8 HG2 LYS 8 -3.091 -1.949 -0.822
50 HG3 LYS 8 HG3 LYS 8 -2.478 -0.411 -1.435
51 HD2 LYS 8 HD2 LYS 8 -3.513 -0.784 1.369
52 HD3 LYS 8 HD3 LYS 8 -1.815 -0.978 0.927
53 HE2 LYS 8 HE2 LYS 8 -3.388 1.523 0.353
54 HE3 LYS 8 HE3 LYS 8 -2.482 1.283 1.846
55 HZ1 LYS 8 HZ1 LYS 8 -1.254 2.513 0.102
56 HZ2 LYS 8 HZ2 LYS 8 -1.280 1.125 -0.863
57 HZ3 LYS 8 HZ3 LYS 8 -0.463 1.111 0.618
58 H LYS 9 H LYS 9 -6.124 -2.989 -1.649
59 HA LYS 9 HA LYS 9 -8.864 -1.973 -1.900
60 HB2 LYS 9 HB2 LYS 9 -8.105 -4.735 -2.838
61 HB3 LYS 9 HB3 LYS 9 -9.629 -3.890 -3.077
62 HG2 LYS 9 HG2 LYS 9 -8.463 -2.270 -4.529
63 HG3 LYS 9 HG3 LYS 9 -6.982 -3.212 -4.343
64 HD2 LYS 9 HD2 LYS 9 -9.576 -4.234 -5.501
65 HD3 LYS 9 HD3 LYS 9 -8.162 -3.741 -6.435
66 HE2 LYS 9 HE2 LYS 9 -7.739 -5.969 -6.336
67 HE3 LYS 9 HE3 LYS 9 -6.984 -5.496 -4.815
68 HZ1 LYS 9 HZ1 LYS 9 -9.385 -7.049 -5.286
69 HZ2 LYS 9 HZ2 LYS 9 -9.500 -5.915 -4.036
70 HZ3 LYS 9 HZ3 LYS 9 -8.295 -7.102 -3.992
71 H ARG 10 H ARG 10 -10.393 -2.985 -0.544
72 HA ARG 10 HA ARG 10 -9.497 -3.687 1.996
73 HB2 ARG 10 HB2 ARG 10 -11.762 -4.159 2.536
74 HB3 ARG 10 HB3 ARG 10 -11.796 -2.858 1.353
75 HG2 ARG 10 HG2 ARG 10 -13.403 -4.161 0.451
76 HG3 ARG 10 HG3 ARG 10 -12.007 -4.927 -0.312
77 HD2 ARG 10 HD2 ARG 10 -13.005 -6.790 0.521
78 HD3 ARG 10 HD3 ARG 10 -12.055 -6.344 1.937
79 HE ARG 10 HE ARG 10 -14.567 -5.085 2.064
80 HH11 ARG 10 HH11 ARG 10 -13.118 -8.241 2.318
81 HH12 ARG 10 HH12 ARG 10 -14.338 -8.858 3.383
82 HH21 ARG 10 HH21 ARG 10 -16.177 -5.886 3.467
83 HH22 ARG 10 HH22 ARG 10 -16.078 -7.518 4.035
84 H HIS 11 H HIS 11 -9.981 -5.629 -0.832
85 HA HIS 11 HA HIS 11 -10.149 -8.155 0.461
86 HB2 HIS 11 HB2 HIS 11 -9.297 -7.449 -2.355
87 HB3 HIS 11 HB3 HIS 11 -9.638 -9.080 -1.784
88 HD1 HIS 11 HD1 HIS 11 -11.968 -9.852 -2.111
89 HD2 HIS 11 HD2 HIS 11 -11.691 -5.707 -2.125
90 HE1 HIS 11 HE1 HIS 11 -14.277 -9.027 -2.664
91 H GLY 12 H GLY 12 -7.566 -6.002 -0.148
92 HA2 GLY 12 HA2 GLY 12 -5.477 -6.334 1.003
93 HA3 GLY 12 HA3 GLY 12 -5.669 -8.064 0.761
94 H GLY 13 H GLY 13 -6.587 -7.273 -2.096
95 HA2 GLY 13 HA2 GLY 13 -3.942 -7.556 -3.246
96 HA3 GLY 13 HA3 GLY 13 -5.471 -7.613 -4.111
97 H CYS 14 H CYS 14 -4.121 -6.307 -5.644
98 HA CYS 14 HA CYS 14 -4.301 -3.451 -4.936
99 HB2 CYS 14 HB2 CYS 14 -2.275 -4.725 -6.788
100 HB3 CYS 14 HB3 CYS 14 -2.365 -3.021 -6.353
101 H SER 15 H SER 15 -5.437 -2.180 -6.273
102 HA SER 15 HA SER 15 -6.877 -3.407 -8.448
103 HB2 SER 15 HB2 SER 15 -8.006 -1.816 -6.955
104 HB3 SER 15 HB3 SER 15 -6.887 -0.546 -7.451
105 HG SER 15 HG SER 15 -8.694 -1.926 -9.153
106 H CYS 16 H CYS 16 -5.587 -3.819 -10.170
107 HA CYS 16 HA CYS 16 -4.191 -1.514 -11.367
108 HB2 CYS 16 HB2 CYS 16 -3.413 -4.417 -11.689
109 HB3 CYS 16 HB3 CYS 16 -2.515 -3.005 -12.239
110 HN1 NH2 17 H2 NH2 17 -5.459 -2.029 -14.601
111 HN2 NH2 17 H1 NH2 17 -4.316 -1.250 -13.600
Start of MODEL 11
1 H1 TRP 1 H TRP 1 1.693 -1.079 0.908
2 HA TRP 1 HA TRP 1 2.038 0.458 -1.523
3 HB2 TRP 1 HB2 TRP 1 3.951 -0.068 -0.015
4 HB3 TRP 1 HB3 TRP 1 3.757 -1.772 -0.415
5 HD1 TRP 1 HD1 TRP 1 5.353 1.391 -1.645
6 HE1 TRP 1 HE1 TRP 1 6.586 0.938 -3.858
7 HE3 TRP 1 HE3 TRP 1 3.533 -3.281 -2.647
8 HZ2 TRP 1 HZ2 TRP 1 6.763 -1.125 -5.776
9 HZ3 TRP 1 HZ3 TRP 1 4.284 -4.425 -4.692
10 HH2 TRP 1 HH2 TRP 1 5.866 -3.368 -6.222
11 H CYS 2 H CYS 2 1.740 -0.240 -3.567
12 HA CYS 2 HA CYS 2 1.076 -3.074 -3.987
13 HB2 CYS 2 HB2 CYS 2 -0.562 -0.670 -4.615
14 HB3 CYS 2 HB3 CYS 2 -0.553 -1.972 -5.800
15 H ALA 3 H ALA 3 1.246 -3.747 -6.262
16 HA ALA 3 HA ALA 3 3.703 -3.009 -7.390
17 HB1 ALA 3 HB1 ALA 3 3.124 -4.443 -9.235
18 HB2 ALA 3 HB2 ALA 3 2.584 -5.192 -7.732
19 HB3 ALA 3 HB3 ALA 3 1.418 -4.393 -8.787
20 H SER 4 H SER 4 4.278 -1.691 -9.070
21 HA SER 4 HA SER 4 4.198 0.173 -10.377
22 HB2 SER 4 HB2 SER 4 2.837 -1.575 -11.696
23 HB3 SER 4 HB3 SER 4 1.416 -0.672 -11.171
24 HG SER 4 HG SER 4 2.065 1.054 -12.328
25 H GLY 5 H GLY 5 3.265 0.452 -7.654
26 HA2 GLY 5 HA2 GLY 5 2.282 2.036 -6.316
27 HA3 GLY 5 HA3 GLY 5 2.284 3.072 -7.736
28 H CYS 6 H CYS 6 0.600 0.054 -7.875
29 HA CYS 6 HA CYS 6 -1.829 1.184 -8.640
30 HB2 CYS 6 HB2 CYS 6 -0.973 -1.516 -7.703
31 HB3 CYS 6 HB3 CYS 6 -2.699 -1.174 -7.785
32 H ARG 7 H ARG 7 -3.941 0.521 -7.366
33 HA ARG 7 HA ARG 7 -3.704 1.816 -4.750
34 HB2 ARG 7 HB2 ARG 7 -5.870 1.554 -6.776
35 HB3 ARG 7 HB3 ARG 7 -6.345 1.695 -5.088
36 HG2 ARG 7 HG2 ARG 7 -4.664 3.727 -5.146
37 HG3 ARG 7 HG3 ARG 7 -5.046 3.681 -6.868
38 HD2 ARG 7 HD2 ARG 7 -7.513 3.563 -6.026
39 HD3 ARG 7 HD3 ARG 7 -6.835 4.229 -4.541
40 HE ARG 7 HE ARG 7 -5.988 5.719 -6.801
41 HH11 ARG 7 HH11 ARG 7 -8.724 5.174 -4.718
42 HH12 ARG 7 HH12 ARG 7 -9.400 6.749 -4.976
43 HH21 ARG 7 HH21 ARG 7 -6.868 7.795 -7.149
44 HH22 ARG 7 HH22 ARG 7 -8.344 8.239 -6.360
45 H LYS 8 H LYS 8 -4.455 0.899 -2.870
46 HA LYS 8 HA LYS 8 -4.540 -1.974 -2.815
47 HB2 LYS 8 HB2 LYS 8 -4.443 0.214 -0.811
48 HB3 LYS 8 HB3 LYS 8 -5.145 -1.310 -0.285
49 HG2 LYS 8 HG2 LYS 8 -3.123 -2.491 -0.830
50 HG3 LYS 8 HG3 LYS 8 -2.419 -1.032 -1.531
51 HD2 LYS 8 HD2 LYS 8 -2.059 -0.057 0.521
52 HD3 LYS 8 HD3 LYS 8 -3.357 -0.967 1.299
53 HE2 LYS 8 HE2 LYS 8 -1.965 -3.018 1.071
54 HE3 LYS 8 HE3 LYS 8 -0.656 -2.010 0.457
55 HZ1 LYS 8 HZ1 LYS 8 -1.756 -2.174 3.173
56 HZ2 LYS 8 HZ2 LYS 8 -1.074 -0.714 2.658
57 HZ3 LYS 8 HZ3 LYS 8 -0.142 -2.126 2.669
58 H LYS 9 H LYS 9 -6.250 -3.244 -1.921
59 HA LYS 9 HA LYS 9 -8.904 -1.977 -2.096
60 HB2 LYS 9 HB2 LYS 9 -8.346 -4.824 -2.916
61 HB3 LYS 9 HB3 LYS 9 -9.794 -3.872 -3.220
62 HG2 LYS 9 HG2 LYS 9 -8.549 -2.441 -4.747
63 HG3 LYS 9 HG3 LYS 9 -7.080 -3.366 -4.425
64 HD2 LYS 9 HD2 LYS 9 -9.616 -4.458 -5.645
65 HD3 LYS 9 HD3 LYS 9 -8.144 -4.048 -6.528
66 HE2 LYS 9 HE2 LYS 9 -6.921 -5.713 -5.157
67 HE3 LYS 9 HE3 LYS 9 -8.447 -6.167 -4.402
68 HZ1 LYS 9 HZ1 LYS 9 -8.723 -7.590 -6.060
69 HZ2 LYS 9 HZ2 LYS 9 -7.370 -7.001 -6.887
70 HZ3 LYS 9 HZ3 LYS 9 -8.884 -6.283 -7.123
71 H ARG 10 H ARG 10 -10.623 -3.421 -1.050
72 HA ARG 10 HA ARG 10 -10.091 -3.678 1.666
73 HB2 ARG 10 HB2 ARG 10 -12.342 -3.703 0.195
74 HB3 ARG 10 HB3 ARG 10 -12.204 -5.423 0.532
75 HG2 ARG 10 HG2 ARG 10 -11.862 -4.593 2.996
76 HG3 ARG 10 HG3 ARG 10 -12.693 -3.157 2.394
77 HD2 ARG 10 HD2 ARG 10 -14.045 -5.519 1.491
78 HD3 ARG 10 HD3 ARG 10 -13.829 -5.587 3.240
79 HE ARG 10 HE ARG 10 -15.321 -3.860 3.463
80 HH11 ARG 10 HH11 ARG 10 -14.353 -4.129 0.130
81 HH12 ARG 10 HH12 ARG 10 -15.538 -3.002 -0.441
82 HH21 ARG 10 HH21 ARG 10 -16.885 -2.373 2.724
83 HH22 ARG 10 HH22 ARG 10 -16.977 -2.002 1.036
84 H HIS 11 H HIS 11 -10.175 -6.174 -0.855
85 HA HIS 11 HA HIS 11 -9.679 -8.367 0.844
86 HB2 HIS 11 HB2 HIS 11 -9.149 -7.974 -2.105
87 HB3 HIS 11 HB3 HIS 11 -8.941 -9.513 -1.274
88 HD1 HIS 11 HD1 HIS 11 -10.797 -10.565 -2.763
89 HD2 HIS 11 HD2 HIS 11 -12.085 -7.427 -0.365
90 HE1 HIS 11 HE1 HIS 11 -13.309 -10.670 -2.809
91 H GLY 12 H GLY 12 -7.648 -5.857 -0.275
92 HA2 GLY 12 HA2 GLY 12 -5.516 -5.524 0.790
93 HA3 GLY 12 HA3 GLY 12 -5.326 -7.269 0.859
94 H GLY 13 H GLY 13 -6.441 -7.247 -2.026
95 HA2 GLY 13 HA2 GLY 13 -3.928 -7.430 -3.313
96 HA3 GLY 13 HA3 GLY 13 -5.495 -7.452 -4.109
97 H CYS 14 H CYS 14 -4.162 -6.263 -5.749
98 HA CYS 14 HA CYS 14 -4.245 -3.377 -5.164
99 HB2 CYS 14 HB2 CYS 14 -2.255 -4.703 -7.009
100 HB3 CYS 14 HB3 CYS 14 -2.274 -3.022 -6.487
101 H SER 15 H SER 15 -5.520 -2.244 -6.468
102 HA SER 15 HA SER 15 -6.748 -3.552 -8.744
103 HB2 SER 15 HB2 SER 15 -8.004 -2.124 -7.050
104 HB3 SER 15 HB3 SER 15 -7.237 -0.725 -7.802
105 HG SER 15 HG SER 15 -9.221 -1.057 -8.777
106 H CYS 16 H CYS 16 -5.637 -3.573 -10.586
107 HA CYS 16 HA CYS 16 -4.272 -1.095 -11.417
108 HB2 CYS 16 HB2 CYS 16 -3.583 -3.903 -12.297
109 HB3 CYS 16 HB3 CYS 16 -2.675 -2.432 -12.630
110 HN1 NH2 17 H2 NH2 17 -5.336 -1.458 -14.874
111 HN2 NH2 17 H1 NH2 17 -3.941 -1.163 -13.936
Start of MODEL 12
1 H1 TRP 1 H TRP 1 2.072 -0.792 0.248
2 HA TRP 1 HA TRP 1 2.444 1.049 -1.925
3 HB2 TRP 1 HB2 TRP 1 4.725 0.989 -0.992
4 HB3 TRP 1 HB3 TRP 1 4.742 -0.765 -1.155
5 HD1 TRP 1 HD1 TRP 1 5.386 2.394 -3.079
6 HE1 TRP 1 HE1 TRP 1 6.115 1.813 -5.478
7 HE3 TRP 1 HE3 TRP 1 4.288 -2.599 -3.075
8 HZ2 TRP 1 HZ2 TRP 1 6.212 -0.461 -7.149
9 HZ3 TRP 1 HZ3 TRP 1 4.728 -3.904 -5.114
10 HH2 TRP 1 HH2 TRP 1 5.669 -2.856 -7.107
11 H CYS 2 H CYS 2 1.713 0.180 -3.775
12 HA CYS 2 HA CYS 2 1.255 -2.731 -3.817
13 HB2 CYS 2 HB2 CYS 2 -0.453 -0.433 -4.550
14 HB3 CYS 2 HB3 CYS 2 -0.491 -1.791 -5.670
15 H ALA 3 H ALA 3 1.015 -3.577 -6.130
16 HA ALA 3 HA ALA 3 3.435 -3.313 -7.475
17 HB1 ALA 3 HB1 ALA 3 0.846 -4.601 -8.022
18 HB2 ALA 3 HB2 ALA 3 1.841 -4.255 -9.437
19 HB3 ALA 3 HB3 ALA 3 2.482 -5.247 -8.129
20 H SER 4 H SER 4 4.225 -1.848 -8.834
21 HA SER 4 HA SER 4 4.397 0.022 -10.123
22 HB2 SER 4 HB2 SER 4 2.928 -1.677 -11.527
23 HB3 SER 4 HB3 SER 4 1.679 -0.458 -11.272
24 HG SER 4 HG SER 4 2.728 0.904 -12.526
25 H GLY 5 H GLY 5 3.061 0.224 -7.499
26 HA2 GLY 5 HA2 GLY 5 2.114 1.899 -6.243
27 HA3 GLY 5 HA3 GLY 5 2.276 2.938 -7.651
28 H CYS 6 H CYS 6 0.431 -0.060 -7.499
29 HA CYS 6 HA CYS 6 -1.880 1.194 -8.595
30 HB2 CYS 6 HB2 CYS 6 -1.181 -1.550 -7.649
31 HB3 CYS 6 HB3 CYS 6 -2.883 -1.144 -7.837
32 H ARG 7 H ARG 7 -4.088 0.602 -7.466
33 HA ARG 7 HA ARG 7 -4.008 1.943 -4.881
34 HB2 ARG 7 HB2 ARG 7 -6.062 1.479 -6.975
35 HB3 ARG 7 HB3 ARG 7 -6.635 1.608 -5.318
36 HG2 ARG 7 HG2 ARG 7 -5.322 3.774 -5.188
37 HG3 ARG 7 HG3 ARG 7 -5.162 3.656 -6.941
38 HD2 ARG 7 HD2 ARG 7 -7.767 3.689 -5.421
39 HD3 ARG 7 HD3 ARG 7 -7.059 5.069 -6.259
40 HE ARG 7 HE ARG 7 -7.233 3.135 -8.172
41 HH11 ARG 7 HH11 ARG 7 -9.490 4.634 -5.987
42 HH12 ARG 7 HH12 ARG 7 -10.844 4.447 -7.050
43 HH21 ARG 7 HH21 ARG 7 -9.008 2.883 -9.581
44 HH22 ARG 7 HH22 ARG 7 -10.570 3.450 -9.095
45 H LYS 8 H LYS 8 -4.520 1.022 -2.972
46 HA LYS 8 HA LYS 8 -4.558 -1.831 -2.799
47 HB2 LYS 8 HB2 LYS 8 -4.500 0.442 -0.896
48 HB3 LYS 8 HB3 LYS 8 -5.173 -1.066 -0.289
49 HG2 LYS 8 HG2 LYS 8 -3.116 -2.234 -0.892
50 HG3 LYS 8 HG3 LYS 8 -2.441 -0.724 -1.511
51 HD2 LYS 8 HD2 LYS 8 -2.162 0.170 0.587
52 HD3 LYS 8 HD3 LYS 8 -3.458 -0.802 1.290
53 HE2 LYS 8 HE2 LYS 8 -1.540 -1.759 2.183
54 HE3 LYS 8 HE3 LYS 8 -1.906 -2.807 0.814
55 HZ1 LYS 8 HZ1 LYS 8 0.194 -0.734 1.020
56 HZ2 LYS 8 HZ2 LYS 8 -0.307 -1.349 -0.474
57 HZ3 LYS 8 HZ3 LYS 8 0.375 -2.382 0.680
58 H LYS 9 H LYS 9 -6.208 -3.115 -1.786
59 HA LYS 9 HA LYS 9 -8.908 -1.955 -1.943
60 HB2 LYS 9 HB2 LYS 9 -8.272 -4.775 -2.793
61 HB3 LYS 9 HB3 LYS 9 -9.761 -3.877 -3.051
62 HG2 LYS 9 HG2 LYS 9 -8.611 -2.392 -4.602
63 HG3 LYS 9 HG3 LYS 9 -7.104 -3.269 -4.331
64 HD2 LYS 9 HD2 LYS 9 -9.609 -4.586 -5.358
65 HD3 LYS 9 HD3 LYS 9 -8.380 -3.892 -6.419
66 HE2 LYS 9 HE2 LYS 9 -6.734 -5.421 -5.655
67 HE3 LYS 9 HE3 LYS 9 -7.755 -5.958 -4.321
68 HZ1 LYS 9 HZ1 LYS 9 -8.511 -6.336 -7.160
69 HZ2 LYS 9 HZ2 LYS 9 -9.185 -7.076 -5.796
70 HZ3 LYS 9 HZ3 LYS 9 -7.621 -7.485 -6.294
71 H ARG 10 H ARG 10 -10.546 -3.252 -0.754
72 HA ARG 10 HA ARG 10 -9.760 -3.676 1.901
73 HB2 ARG 10 HB2 ARG 10 -12.031 -4.656 2.193
74 HB3 ARG 10 HB3 ARG 10 -12.036 -3.091 1.393
75 HG2 ARG 10 HG2 ARG 10 -11.903 -5.364 -0.441
76 HG3 ARG 10 HG3 ARG 10 -13.371 -5.300 0.535
77 HD2 ARG 10 HD2 ARG 10 -12.443 -2.787 -0.745
78 HD3 ARG 10 HD3 ARG 10 -13.157 -4.023 -1.781
79 HE ARG 10 HE ARG 10 -14.766 -3.509 0.511
80 HH11 ARG 10 HH11 ARG 10 -13.911 -2.279 -2.632
81 HH12 ARG 10 HH12 ARG 10 -15.410 -1.440 -2.856
82 HH21 ARG 10 HH21 ARG 10 -16.744 -2.409 0.228
83 HH22 ARG 10 HH22 ARG 10 -17.020 -1.514 -1.228
84 H HIS 11 H HIS 11 -9.878 -5.810 -0.833
85 HA HIS 11 HA HIS 11 -9.794 -8.246 0.670
86 HB2 HIS 11 HB2 HIS 11 -9.458 -7.519 -2.217
87 HB3 HIS 11 HB3 HIS 11 -8.979 -9.122 -1.664
88 HD1 HIS 11 HD1 HIS 11 -10.922 -10.013 -3.238
89 HD2 HIS 11 HD2 HIS 11 -12.153 -7.771 0.036
90 HE1 HIS 11 HE1 HIS 11 -13.382 -10.475 -2.994
91 H GLY 12 H GLY 12 -7.493 -5.882 -0.213
92 HA2 GLY 12 HA2 GLY 12 -5.341 -5.894 0.863
93 HA3 GLY 12 HA3 GLY 12 -5.346 -7.648 0.757
94 H GLY 13 H GLY 13 -6.445 -7.210 -2.103
95 HA2 GLY 13 HA2 GLY 13 -3.890 -7.421 -3.382
96 HA3 GLY 13 HA3 GLY 13 -5.458 -7.444 -4.176
97 H CYS 14 H CYS 14 -4.149 -6.176 -5.774
98 HA CYS 14 HA CYS 14 -4.366 -3.314 -5.128
99 HB2 CYS 14 HB2 CYS 14 -2.165 -4.498 -6.826
100 HB3 CYS 14 HB3 CYS 14 -2.321 -2.827 -6.295
101 H SER 15 H SER 15 -5.570 -2.208 -6.524
102 HA SER 15 HA SER 15 -6.611 -3.538 -8.869
103 HB2 SER 15 HB2 SER 15 -8.170 -2.255 -7.549
104 HB3 SER 15 HB3 SER 15 -7.159 -0.815 -7.667
105 HG SER 15 HG SER 15 -8.500 -0.444 -9.276
106 H CYS 16 H CYS 16 -5.874 -3.329 -10.874
107 HA CYS 16 HA CYS 16 -4.269 -0.965 -11.563
108 HB2 CYS 16 HB2 CYS 16 -3.575 -3.759 -12.473
109 HB3 CYS 16 HB3 CYS 16 -2.628 -2.291 -12.696
110 HN1 NH2 17 H2 NH2 17 -5.329 -1.107 -14.984
111 HN2 NH2 17 H1 NH2 17 -4.018 -0.719 -13.961
Start of MODEL 13
1 H1 TRP 1 H TRP 1 2.041 -0.412 1.003
2 HA TRP 1 HA TRP 1 2.108 0.669 -1.554
3 HB2 TRP 1 HB2 TRP 1 4.114 0.213 -0.185
4 HB3 TRP 1 HB3 TRP 1 3.887 -1.514 -0.445
5 HD1 TRP 1 HD1 TRP 1 5.413 1.537 -2.004
6 HE1 TRP 1 HE1 TRP 1 6.503 0.912 -4.250
7 HE3 TRP 1 HE3 TRP 1 3.522 -3.183 -2.539
8 HZ2 TRP 1 HZ2 TRP 1 6.554 -1.290 -6.016
9 HZ3 TRP 1 HZ3 TRP 1 4.140 -4.482 -4.535
10 HH2 TRP 1 HH2 TRP 1 5.625 -3.553 -6.236
11 H CYS 2 H CYS 2 1.919 -0.141 -3.609
12 HA CYS 2 HA CYS 2 1.141 -2.954 -3.909
13 HB2 CYS 2 HB2 CYS 2 -0.478 -0.548 -4.572
14 HB3 CYS 2 HB3 CYS 2 -0.514 -1.883 -5.720
15 H ALA 3 H ALA 3 1.194 -3.666 -6.202
16 HA ALA 3 HA ALA 3 3.652 -3.026 -7.400
17 HB1 ALA 3 HB1 ALA 3 2.655 -4.319 -9.379
18 HB2 ALA 3 HB2 ALA 3 2.849 -5.169 -7.846
19 HB3 ALA 3 HB3 ALA 3 1.260 -4.575 -8.330
20 H SER 4 H SER 4 4.223 -1.723 -9.078
21 HA SER 4 HA SER 4 4.148 0.116 -10.421
22 HB2 SER 4 HB2 SER 4 2.705 -1.682 -11.650
23 HB3 SER 4 HB3 SER 4 1.352 -0.637 -11.214
24 HG SER 4 HG SER 4 3.209 -0.319 -13.156
25 H GLY 5 H GLY 5 3.233 0.452 -7.700
26 HA2 GLY 5 HA2 GLY 5 2.258 2.062 -6.385
27 HA3 GLY 5 HA3 GLY 5 2.274 3.077 -7.819
28 H CYS 6 H CYS 6 0.561 0.094 -7.995
29 HA CYS 6 HA CYS 6 -1.855 1.247 -8.746
30 HB2 CYS 6 HB2 CYS 6 -1.016 -1.460 -7.828
31 HB3 CYS 6 HB3 CYS 6 -2.741 -1.111 -7.869
32 H ARG 7 H ARG 7 -3.979 0.614 -7.480
33 HA ARG 7 HA ARG 7 -3.769 1.975 -4.908
34 HB2 ARG 7 HB2 ARG 7 -5.968 1.461 -6.858
35 HB3 ARG 7 HB3 ARG 7 -6.393 1.717 -5.171
36 HG2 ARG 7 HG2 ARG 7 -4.551 3.661 -6.448
37 HG3 ARG 7 HG3 ARG 7 -6.257 3.706 -6.901
38 HD2 ARG 7 HD2 ARG 7 -5.214 3.819 -4.073
39 HD3 ARG 7 HD3 ARG 7 -5.698 5.223 -5.024
40 HE ARG 7 HE ARG 7 -7.852 3.493 -5.040
41 HH11 ARG 7 HH11 ARG 7 -6.001 5.250 -2.673
42 HH12 ARG 7 HH12 ARG 7 -7.328 5.423 -1.572
43 HH21 ARG 7 HH21 ARG 7 -9.607 3.713 -3.599
44 HH22 ARG 7 HH22 ARG 7 -9.378 4.548 -2.101
45 H LYS 8 H LYS 8 -4.762 1.161 -3.004
46 HA LYS 8 HA LYS 8 -4.506 -1.708 -2.746
47 HB2 LYS 8 HB2 LYS 8 -4.719 0.605 -0.903
48 HB3 LYS 8 HB3 LYS 8 -5.335 -0.930 -0.304
49 HG2 LYS 8 HG2 LYS 8 -3.253 -1.942 -0.377
50 HG3 LYS 8 HG3 LYS 8 -2.609 -0.763 -1.523
51 HD2 LYS 8 HD2 LYS 8 -1.602 -0.092 0.439
52 HD3 LYS 8 HD3 LYS 8 -3.042 0.929 0.420
53 HE2 LYS 8 HE2 LYS 8 -4.181 -0.713 1.872
54 HE3 LYS 8 HE3 LYS 8 -2.692 -1.654 1.938
55 HZ1 LYS 8 HZ1 LYS 8 -1.588 0.128 3.042
56 HZ2 LYS 8 HZ2 LYS 8 -3.033 -0.168 3.869
57 HZ3 LYS 8 HZ3 LYS 8 -2.908 1.165 2.836
58 H LYS 9 H LYS 9 -6.154 -3.023 -1.690
59 HA LYS 9 HA LYS 9 -8.897 -2.047 -2.077
60 HB2 LYS 9 HB2 LYS 9 -8.052 -4.829 -2.872
61 HB3 LYS 9 HB3 LYS 9 -9.574 -4.018 -3.219
62 HG2 LYS 9 HG2 LYS 9 -8.342 -2.425 -4.660
63 HG3 LYS 9 HG3 LYS 9 -6.875 -3.367 -4.382
64 HD2 LYS 9 HD2 LYS 9 -9.421 -4.408 -5.626
65 HD3 LYS 9 HD3 LYS 9 -7.961 -3.956 -6.507
66 HE2 LYS 9 HE2 LYS 9 -6.705 -5.689 -5.354
67 HE3 LYS 9 HE3 LYS 9 -8.129 -6.113 -4.403
68 HZ1 LYS 9 HZ1 LYS 9 -9.250 -6.662 -6.528
69 HZ2 LYS 9 HZ2 LYS 9 -7.927 -7.658 -6.186
70 HZ3 LYS 9 HZ3 LYS 9 -7.782 -6.424 -7.334
71 H ARG 10 H ARG 10 -10.514 -3.250 -0.880
72 HA ARG 10 HA ARG 10 -9.838 -3.687 1.780
73 HB2 ARG 10 HB2 ARG 10 -12.115 -3.191 1.109
74 HB3 ARG 10 HB3 ARG 10 -12.216 -4.703 0.215
75 HG2 ARG 10 HG2 ARG 10 -13.401 -4.884 2.310
76 HG3 ARG 10 HG3 ARG 10 -11.993 -5.946 2.316
77 HD2 ARG 10 HD2 ARG 10 -12.036 -4.896 4.434
78 HD3 ARG 10 HD3 ARG 10 -10.758 -4.102 3.515
79 HE ARG 10 HE ARG 10 -11.936 -2.150 3.654
80 HH11 ARG 10 HH11 ARG 10 -14.080 -4.808 4.333
81 HH12 ARG 10 HH12 ARG 10 -15.409 -3.790 4.780
82 HH21 ARG 10 HH21 ARG 10 -13.678 -0.801 4.242
83 HH22 ARG 10 HH22 ARG 10 -15.179 -1.512 4.728
84 H HIS 11 H HIS 11 -10.128 -5.972 -0.890
85 HA HIS 11 HA HIS 11 -9.896 -8.334 0.631
86 HB2 HIS 11 HB2 HIS 11 -9.261 -7.735 -2.259
87 HB3 HIS 11 HB3 HIS 11 -9.161 -9.352 -1.568
88 HD1 HIS 11 HD1 HIS 11 -11.042 -10.016 -3.306
89 HD2 HIS 11 HD2 HIS 11 -12.197 -7.301 -0.381
90 HE1 HIS 11 HE1 HIS 11 -13.557 -9.998 -3.360
91 H GLY 12 H GLY 12 -7.615 -5.936 -0.204
92 HA2 GLY 12 HA2 GLY 12 -5.500 -5.891 0.945
93 HA3 GLY 12 HA3 GLY 12 -5.466 -7.646 0.859
94 H GLY 13 H GLY 13 -6.474 -7.265 -2.040
95 HA2 GLY 13 HA2 GLY 13 -3.868 -7.423 -3.225
96 HA3 GLY 13 HA3 GLY 13 -5.406 -7.514 -4.072
97 H CYS 14 H CYS 14 -4.085 -6.231 -5.650
98 HA CYS 14 HA CYS 14 -4.312 -3.362 -5.015
99 HB2 CYS 14 HB2 CYS 14 -2.254 -4.573 -6.867
100 HB3 CYS 14 HB3 CYS 14 -2.347 -2.903 -6.320
101 H SER 15 H SER 15 -5.392 -2.121 -6.439
102 HA SER 15 HA SER 15 -6.682 -3.469 -8.674
103 HB2 SER 15 HB2 SER 15 -7.967 -2.032 -7.050
104 HB3 SER 15 HB3 SER 15 -7.115 -0.635 -7.708
105 HG SER 15 HG SER 15 -8.881 -0.707 -8.935
106 H CYS 16 H CYS 16 -6.184 -3.169 -10.754
107 HA CYS 16 HA CYS 16 -4.534 -0.864 -11.510
108 HB2 CYS 16 HB2 CYS 16 -3.967 -3.669 -12.479
109 HB3 CYS 16 HB3 CYS 16 -3.017 -2.219 -12.788
110 HN1 NH2 17 H2 NH2 17 -6.105 -0.611 -14.630
111 HN2 NH2 17 H1 NH2 17 -4.870 -0.085 -13.572
Start of MODEL 14
1 H1 TRP 1 H TRP 1 1.112 0.412 0.710
2 HA TRP 1 HA TRP 1 1.415 1.052 -1.888
3 HB2 TRP 1 HB2 TRP 1 3.263 0.956 -0.242
4 HB3 TRP 1 HB3 TRP 1 3.279 -0.799 -0.384
5 HD1 TRP 1 HD1 TRP 1 4.590 2.321 -2.018
6 HE1 TRP 1 HE1 TRP 1 6.042 1.689 -4.047
7 HE3 TRP 1 HE3 TRP 1 3.432 -2.650 -2.329
8 HZ2 TRP 1 HZ2 TRP 1 6.618 -0.611 -5.578
9 HZ3 TRP 1 HZ3 TRP 1 4.476 -3.995 -4.105
10 HH2 TRP 1 HH2 TRP 1 6.036 -2.995 -5.695
11 H CYS 2 H CYS 2 1.459 0.090 -3.860
12 HA CYS 2 HA CYS 2 1.186 -2.826 -4.005
13 HB2 CYS 2 HB2 CYS 2 -0.795 -0.797 -4.879
14 HB3 CYS 2 HB3 CYS 2 -0.507 -2.138 -5.983
15 H ALA 3 H ALA 3 1.521 -3.655 -6.228
16 HA ALA 3 HA ALA 3 3.914 -2.788 -7.324
17 HB1 ALA 3 HB1 ALA 3 2.938 -5.022 -7.680
18 HB2 ALA 3 HB2 ALA 3 1.738 -4.307 -8.758
19 HB3 ALA 3 HB3 ALA 3 3.448 -4.260 -9.187
20 H SER 4 H SER 4 4.491 -1.507 -9.045
21 HA SER 4 HA SER 4 4.385 0.316 -10.406
22 HB2 SER 4 HB2 SER 4 2.951 -1.544 -11.605
23 HB3 SER 4 HB3 SER 4 1.615 -0.451 -11.245
24 HG SER 4 HG SER 4 3.605 -0.223 -13.100
25 H GLY 5 H GLY 5 3.432 0.642 -7.695
26 HA2 GLY 5 HA2 GLY 5 2.427 2.253 -6.405
27 HA3 GLY 5 HA3 GLY 5 2.387 3.240 -7.859
28 H CYS 6 H CYS 6 0.793 0.201 -8.006
29 HA CYS 6 HA CYS 6 -1.679 1.263 -8.713
30 HB2 CYS 6 HB2 CYS 6 -0.717 -1.418 -7.836
31 HB3 CYS 6 HB3 CYS 6 -2.456 -1.138 -7.858
32 H ARG 7 H ARG 7 -3.754 0.520 -7.423
33 HA ARG 7 HA ARG 7 -3.515 1.771 -4.783
34 HB2 ARG 7 HB2 ARG 7 -5.733 1.487 -6.768
35 HB3 ARG 7 HB3 ARG 7 -6.135 1.692 -5.068
36 HG2 ARG 7 HG2 ARG 7 -4.426 3.700 -5.284
37 HG3 ARG 7 HG3 ARG 7 -4.915 3.602 -6.977
38 HD2 ARG 7 HD2 ARG 7 -6.414 5.126 -6.033
39 HD3 ARG 7 HD3 ARG 7 -7.314 3.610 -6.091
40 HE ARG 7 HE ARG 7 -6.238 3.574 -3.619
41 HH11 ARG 7 HH11 ARG 7 -8.074 5.956 -5.372
42 HH12 ARG 7 HH12 ARG 7 -8.805 6.628 -3.952
43 HH21 ARG 7 HH21 ARG 7 -7.193 4.451 -1.741
44 HH22 ARG 7 HH22 ARG 7 -8.302 5.771 -1.888
45 H LYS 8 H LYS 8 -4.481 0.851 -2.941
46 HA LYS 8 HA LYS 8 -4.444 -2.042 -2.935
47 HB2 LYS 8 HB2 LYS 8 -4.310 0.108 -0.927
48 HB3 LYS 8 HB3 LYS 8 -5.168 -1.334 -0.400
49 HG2 LYS 8 HG2 LYS 8 -2.470 -1.551 -1.670
50 HG3 LYS 8 HG3 LYS 8 -2.635 -1.144 0.039
51 HD2 LYS 8 HD2 LYS 8 -3.804 -3.189 0.478
52 HD3 LYS 8 HD3 LYS 8 -3.896 -3.564 -1.245
53 HE2 LYS 8 HE2 LYS 8 -2.138 -4.832 -0.011
54 HE3 LYS 8 HE3 LYS 8 -1.531 -3.888 -1.371
55 HZ1 LYS 8 HZ1 LYS 8 -1.505 -2.812 1.381
56 HZ2 LYS 8 HZ2 LYS 8 -0.596 -2.313 0.045
57 HZ3 LYS 8 HZ3 LYS 8 -0.246 -3.784 0.805
58 H LYS 9 H LYS 9 -6.168 -3.238 -1.727
59 HA LYS 9 HA LYS 9 -8.828 -2.045 -2.083
60 HB2 LYS 9 HB2 LYS 9 -8.231 -4.897 -2.853
61 HB3 LYS 9 HB3 LYS 9 -9.686 -3.967 -3.187
62 HG2 LYS 9 HG2 LYS 9 -8.339 -2.496 -4.664
63 HG3 LYS 9 HG3 LYS 9 -6.964 -3.573 -4.408
64 HD2 LYS 9 HD2 LYS 9 -9.622 -4.482 -5.499
65 HD3 LYS 9 HD3 LYS 9 -8.263 -3.992 -6.514
66 HE2 LYS 9 HE2 LYS 9 -6.935 -5.791 -5.785
67 HE3 LYS 9 HE3 LYS 9 -7.993 -6.124 -4.414
68 HZ1 LYS 9 HZ1 LYS 9 -9.737 -6.710 -6.089
69 HZ2 LYS 9 HZ2 LYS 9 -8.418 -7.767 -6.035
70 HZ3 LYS 9 HZ3 LYS 9 -8.540 -6.632 -7.283
71 H ARG 10 H ARG 10 -10.536 -3.220 -0.905
72 HA ARG 10 HA ARG 10 -9.898 -3.597 1.776
73 HB2 ARG 10 HB2 ARG 10 -12.281 -4.823 0.385
74 HB3 ARG 10 HB3 ARG 10 -12.149 -4.361 2.077
75 HG2 ARG 10 HG2 ARG 10 -11.823 -1.980 1.228
76 HG3 ARG 10 HG3 ARG 10 -12.389 -2.590 -0.329
77 HD2 ARG 10 HD2 ARG 10 -14.504 -3.125 0.524
78 HD3 ARG 10 HD3 ARG 10 -13.946 -3.046 2.195
79 HE ARG 10 HE ARG 10 -13.738 -0.540 0.821
80 HH11 ARG 10 HH11 ARG 10 -15.879 -2.647 2.581
81 HH12 ARG 10 HH12 ARG 10 -16.929 -1.366 3.094
82 HH21 ARG 10 HH21 ARG 10 -15.112 1.154 1.490
83 HH22 ARG 10 HH22 ARG 10 -16.491 0.794 2.473
84 H HIS 11 H HIS 11 -10.119 -5.919 -0.854
85 HA HIS 11 HA HIS 11 -9.976 -8.254 0.750
86 HB2 HIS 11 HB2 HIS 11 -9.146 -7.890 -2.137
87 HB3 HIS 11 HB3 HIS 11 -9.467 -9.425 -1.336
88 HD1 HIS 11 HD1 HIS 11 -11.755 -10.303 -1.654
89 HD2 HIS 11 HD2 HIS 11 -11.598 -6.181 -2.153
90 HE1 HIS 11 HE1 HIS 11 -14.072 -9.621 -2.354
91 H GLY 12 H GLY 12 -7.656 -5.919 -0.148
92 HA2 GLY 12 HA2 GLY 12 -5.539 -5.882 0.999
93 HA3 GLY 12 HA3 GLY 12 -5.535 -7.639 0.956
94 H GLY 13 H GLY 13 -6.541 -7.305 -1.952
95 HA2 GLY 13 HA2 GLY 13 -3.916 -7.488 -3.123
96 HA3 GLY 13 HA3 GLY 13 -5.449 -7.670 -3.962
97 H CYS 14 H CYS 14 -4.168 -6.428 -5.604
98 HA CYS 14 HA CYS 14 -4.328 -3.535 -5.063
99 HB2 CYS 14 HB2 CYS 14 -2.616 -4.855 -7.171
100 HB3 CYS 14 HB3 CYS 14 -2.548 -3.183 -6.623
101 H SER 15 H SER 15 -5.127 -2.170 -6.710
102 HA SER 15 HA SER 15 -6.827 -3.561 -8.675
103 HB2 SER 15 HB2 SER 15 -7.802 -2.058 -6.725
104 HB3 SER 15 HB3 SER 15 -7.392 -0.748 -7.833
105 HG SER 15 HG SER 15 -9.574 -1.950 -7.926
106 H CYS 16 H CYS 16 -5.273 -3.594 -10.312
107 HA CYS 16 HA CYS 16 -4.250 -1.020 -11.257
108 HB2 CYS 16 HB2 CYS 16 -3.570 -3.800 -12.234
109 HB3 CYS 16 HB3 CYS 16 -2.729 -2.307 -12.638
110 HN1 NH2 17 H2 NH2 17 -5.500 -1.291 -14.665
111 HN2 NH2 17 H1 NH2 17 -4.054 -1.012 -13.798
Start of MODEL 15
1 H1 TRP 1 H TRP 1 1.341 0.034 0.630
2 HA TRP 1 HA TRP 1 1.409 1.170 -1.997
3 HB2 TRP 1 HB2 TRP 1 3.370 1.227 -0.512
4 HB3 TRP 1 HB3 TRP 1 3.458 -0.532 -0.561
5 HD1 TRP 1 HD1 TRP 1 4.533 2.539 -2.432
6 HE1 TRP 1 HE1 TRP 1 5.871 1.858 -4.523
7 HE3 TRP 1 HE3 TRP 1 3.548 -2.477 -2.426
8 HZ2 TRP 1 HZ2 TRP 1 6.435 -0.495 -5.977
9 HZ3 TRP 1 HZ3 TRP 1 4.525 -3.872 -4.202
10 HH2 TRP 1 HH2 TRP 1 5.938 -2.900 -5.939
11 H CYS 2 H CYS 2 1.440 0.168 -3.963
12 HA CYS 2 HA CYS 2 1.245 -2.758 -4.030
13 HB2 CYS 2 HB2 CYS 2 -0.794 -0.792 -4.917
14 HB3 CYS 2 HB3 CYS 2 -0.504 -2.162 -5.984
15 H ALA 3 H ALA 3 1.557 -3.641 -6.233
16 HA ALA 3 HA ALA 3 3.908 -2.788 -7.400
17 HB1 ALA 3 HB1 ALA 3 3.307 -4.221 -9.312
18 HB2 ALA 3 HB2 ALA 3 3.023 -5.012 -7.760
19 HB3 ALA 3 HB3 ALA 3 1.667 -4.353 -8.674
20 H SER 4 H SER 4 4.466 -1.484 -9.094
21 HA SER 4 HA SER 4 4.344 0.326 -10.471
22 HB2 SER 4 HB2 SER 4 2.988 -1.489 -11.721
23 HB3 SER 4 HB3 SER 4 1.570 -0.562 -11.231
24 HG SER 4 HG SER 4 2.108 0.312 -13.141
25 H GLY 5 H GLY 5 3.422 0.657 -7.749
26 HA2 GLY 5 HA2 GLY 5 2.442 2.277 -6.452
27 HA3 GLY 5 HA3 GLY 5 2.373 3.256 -7.910
28 H CYS 6 H CYS 6 0.785 0.214 -8.015
29 HA CYS 6 HA CYS 6 -1.702 1.266 -8.683
30 HB2 CYS 6 HB2 CYS 6 -0.713 -1.409 -7.825
31 HB3 CYS 6 HB3 CYS 6 -2.452 -1.136 -7.799
32 H ARG 7 H ARG 7 -3.753 0.521 -7.353
33 HA ARG 7 HA ARG 7 -3.455 1.747 -4.704
34 HB2 ARG 7 HB2 ARG 7 -5.697 1.566 -6.672
35 HB3 ARG 7 HB3 ARG 7 -6.080 1.746 -4.966
36 HG2 ARG 7 HG2 ARG 7 -4.152 3.603 -6.301
37 HG3 ARG 7 HG3 ARG 7 -5.895 3.852 -6.431
38 HD2 ARG 7 HD2 ARG 7 -4.371 3.605 -3.840
39 HD3 ARG 7 HD3 ARG 7 -4.858 5.129 -4.581
40 HE ARG 7 HE ARG 7 -7.167 3.661 -4.345
41 HH11 ARG 7 HH11 ARG 7 -4.713 4.849 -2.180
42 HH12 ARG 7 HH12 ARG 7 -5.793 5.004 -0.833
43 HH21 ARG 7 HH21 ARG 7 -8.598 3.861 -2.580
44 HH22 ARG 7 HH22 ARG 7 -8.002 4.442 -1.061
45 H LYS 8 H LYS 8 -4.373 0.809 -2.863
46 HA LYS 8 HA LYS 8 -4.408 -2.072 -2.892
47 HB2 LYS 8 HB2 LYS 8 -4.308 0.058 -0.856
48 HB3 LYS 8 HB3 LYS 8 -5.162 -1.399 -0.363
49 HG2 LYS 8 HG2 LYS 8 -2.453 -1.597 -1.606
50 HG3 LYS 8 HG3 LYS 8 -2.625 -1.177 0.100
51 HD2 LYS 8 HD2 LYS 8 -3.971 -3.230 0.425
52 HD3 LYS 8 HD3 LYS 8 -3.676 -3.658 -1.262
53 HE2 LYS 8 HE2 LYS 8 -2.113 -4.862 0.080
54 HE3 LYS 8 HE3 LYS 8 -1.229 -3.594 -0.768
55 HZ1 LYS 8 HZ1 LYS 8 -2.012 -2.449 1.594
56 HZ2 LYS 8 HZ2 LYS 8 -0.459 -2.999 1.211
57 HZ3 LYS 8 HZ3 LYS 8 -1.536 -4.012 2.032
58 H LYS 9 H LYS 9 -6.162 -3.251 -1.683
59 HA LYS 9 HA LYS 9 -8.807 -2.045 -2.093
60 HB2 LYS 9 HB2 LYS 9 -8.213 -4.900 -2.859
61 HB3 LYS 9 HB3 LYS 9 -9.659 -3.962 -3.211
62 HG2 LYS 9 HG2 LYS 9 -8.297 -2.498 -4.673
63 HG3 LYS 9 HG3 LYS 9 -6.918 -3.562 -4.388
64 HD2 LYS 9 HD2 LYS 9 -9.550 -4.466 -5.550
65 HD3 LYS 9 HD3 LYS 9 -8.139 -4.021 -6.513
66 HE2 LYS 9 HE2 LYS 9 -7.859 -6.293 -6.382
67 HE3 LYS 9 HE3 LYS 9 -6.933 -5.772 -4.976
68 HZ1 LYS 9 HZ1 LYS 9 -9.542 -6.089 -4.117
69 HZ2 LYS 9 HZ2 LYS 9 -8.219 -7.079 -3.760
70 HZ3 LYS 9 HZ3 LYS 9 -9.212 -7.441 -5.080
71 H ARG 10 H ARG 10 -10.540 -3.204 -0.941
72 HA ARG 10 HA ARG 10 -9.942 -3.598 1.748
73 HB2 ARG 10 HB2 ARG 10 -12.187 -3.036 0.909
74 HB3 ARG 10 HB3 ARG 10 -12.324 -4.642 0.206
75 HG2 ARG 10 HG2 ARG 10 -12.589 -5.663 2.251
76 HG3 ARG 10 HG3 ARG 10 -11.790 -4.356 3.126
77 HD2 ARG 10 HD2 ARG 10 -13.734 -3.347 3.501
78 HD3 ARG 10 HD3 ARG 10 -14.123 -3.362 1.781
79 HE ARG 10 HE ARG 10 -15.169 -5.094 3.784
80 HH11 ARG 10 HH11 ARG 10 -14.259 -4.938 0.428
81 HH12 ARG 10 HH12 ARG 10 -15.352 -6.190 -0.062
82 HH21 ARG 10 HH21 ARG 10 -16.613 -6.744 3.152
83 HH22 ARG 10 HH22 ARG 10 -16.691 -7.215 1.488
84 H HIS 11 H HIS 11 -10.103 -5.885 -0.905
85 HA HIS 11 HA HIS 11 -10.045 -8.239 0.685
86 HB2 HIS 11 HB2 HIS 11 -9.359 -7.715 -2.207
87 HB3 HIS 11 HB3 HIS 11 -9.286 -9.320 -1.484
88 HD1 HIS 11 HD1 HIS 11 -11.210 -10.417 -2.659
89 HD2 HIS 11 HD2 HIS 11 -12.255 -6.785 -0.936
90 HE1 HIS 11 HE1 HIS 11 -13.709 -10.262 -2.883
91 H GLY 12 H GLY 12 -7.678 -5.928 -0.139
92 HA2 GLY 12 HA2 GLY 12 -5.586 -5.931 1.051
93 HA3 GLY 12 HA3 GLY 12 -5.601 -7.688 0.985
94 H GLY 13 H GLY 13 -6.544 -7.308 -1.938
95 HA2 GLY 13 HA2 GLY 13 -3.887 -7.478 -3.051
96 HA3 GLY 13 HA3 GLY 13 -5.400 -7.687 -3.920
97 H CYS 14 H CYS 14 -4.107 -6.429 -5.541
98 HA CYS 14 HA CYS 14 -4.302 -3.538 -5.009
99 HB2 CYS 14 HB2 CYS 14 -2.582 -4.849 -7.115
100 HB3 CYS 14 HB3 CYS 14 -2.523 -3.176 -6.569
101 H SER 15 H SER 15 -5.011 -2.174 -6.741
102 HA SER 15 HA SER 15 -6.744 -3.578 -8.669
103 HB2 SER 15 HB2 SER 15 -7.740 -2.075 -6.747
104 HB3 SER 15 HB3 SER 15 -7.287 -0.755 -7.825
105 HG SER 15 HG SER 15 -9.229 -2.731 -8.137
106 H CYS 16 H CYS 16 -5.365 -3.621 -10.403
107 HA CYS 16 HA CYS 16 -4.292 -1.053 -11.348
108 HB2 CYS 16 HB2 CYS 16 -3.552 -3.821 -12.306
109 HB3 CYS 16 HB3 CYS 16 -2.712 -2.315 -12.654
110 HN1 NH2 17 H2 NH2 17 -5.697 -1.126 -14.615
111 HN2 NH2 17 H1 NH2 17 -4.362 -0.632 -13.672
Start of MODEL 16
1 H1 TRP 1 H TRP 1 1.607 1.459 0.490
2 HA TRP 1 HA TRP 1 1.702 1.742 -2.193
3 HB2 TRP 1 HB2 TRP 1 3.656 1.977 -0.697
4 HB3 TRP 1 HB3 TRP 1 3.754 0.222 -0.569
5 HD1 TRP 1 HD1 TRP 1 4.808 3.097 -2.742
6 HE1 TRP 1 HE1 TRP 1 6.153 2.215 -4.752
7 HE3 TRP 1 HE3 TRP 1 3.861 -1.901 -2.223
8 HZ2 TRP 1 HZ2 TRP 1 6.735 -0.270 -5.959
9 HZ3 TRP 1 HZ3 TRP 1 4.849 -3.463 -3.847
10 HH2 TRP 1 HH2 TRP 1 6.255 -2.662 -5.676
11 H CYS 2 H CYS 2 1.828 0.474 -4.015
12 HA CYS 2 HA CYS 2 1.704 -2.426 -3.738
13 HB2 CYS 2 HB2 CYS 2 -0.528 -0.701 -4.667
14 HB3 CYS 2 HB3 CYS 2 -0.229 -2.174 -5.583
15 H ALA 3 H ALA 3 1.803 -3.506 -5.912
16 HA ALA 3 HA ALA 3 4.027 -2.674 -7.343
17 HB1 ALA 3 HB1 ALA 3 3.480 -4.371 -8.954
18 HB2 ALA 3 HB2 ALA 3 3.092 -4.970 -7.341
19 HB3 ALA 3 HB3 ALA 3 1.804 -4.409 -8.407
20 H SER 4 H SER 4 4.369 -1.511 -9.186
21 HA SER 4 HA SER 4 4.028 0.161 -10.697
22 HB2 SER 4 HB2 SER 4 2.692 -1.889 -11.633
23 HB3 SER 4 HB3 SER 4 1.278 -0.919 -11.223
24 HG SER 4 HG SER 4 1.649 -0.085 -13.126
25 H GLY 5 H GLY 5 3.244 0.684 -7.962
26 HA2 GLY 5 HA2 GLY 5 2.200 2.327 -6.749
27 HA3 GLY 5 HA3 GLY 5 2.013 3.179 -8.275
28 H CYS 6 H CYS 6 0.623 0.028 -7.920
29 HA CYS 6 HA CYS 6 -1.941 0.811 -8.655
30 HB2 CYS 6 HB2 CYS 6 -0.751 -1.626 -7.434
31 HB3 CYS 6 HB3 CYS 6 -2.500 -1.458 -7.346
32 H ARG 7 H ARG 7 -3.908 0.183 -7.157
33 HA ARG 7 HA ARG 7 -3.550 1.670 -4.638
34 HB2 ARG 7 HB2 ARG 7 -5.799 1.589 -6.620
35 HB3 ARG 7 HB3 ARG 7 -6.125 1.990 -4.939
36 HG2 ARG 7 HG2 ARG 7 -4.470 3.825 -5.103
37 HG3 ARG 7 HG3 ARG 7 -4.290 3.457 -6.820
38 HD2 ARG 7 HD2 ARG 7 -5.829 5.288 -6.566
39 HD3 ARG 7 HD3 ARG 7 -6.714 3.865 -7.116
40 HE ARG 7 HE ARG 7 -7.880 3.866 -5.142
41 HH11 ARG 7 HH11 ARG 7 -5.116 5.961 -4.848
42 HH12 ARG 7 HH12 ARG 7 -5.605 6.609 -3.318
43 HH21 ARG 7 HH21 ARG 7 -8.536 4.711 -3.127
44 HH22 ARG 7 HH22 ARG 7 -7.551 5.896 -2.340
45 H LYS 8 H LYS 8 -3.659 0.440 -2.892
46 HA LYS 8 HA LYS 8 -4.350 -2.236 -2.801
47 HB2 LYS 8 HB2 LYS 8 -3.550 -0.244 -0.948
48 HB3 LYS 8 HB3 LYS 8 -4.965 -1.039 -0.271
49 HG2 LYS 8 HG2 LYS 8 -3.650 -3.214 -0.972
50 HG3 LYS 8 HG3 LYS 8 -2.264 -2.129 -0.843
51 HD2 LYS 8 HD2 LYS 8 -2.686 -1.693 1.431
52 HD3 LYS 8 HD3 LYS 8 -4.318 -2.361 1.340
53 HE2 LYS 8 HE2 LYS 8 -3.192 -4.579 0.775
54 HE3 LYS 8 HE3 LYS 8 -1.691 -3.821 1.303
55 HZ1 LYS 8 HZ1 LYS 8 -3.983 -4.694 2.870
56 HZ2 LYS 8 HZ2 LYS 8 -3.244 -3.255 3.367
57 HZ3 LYS 8 HZ3 LYS 8 -2.339 -4.680 3.271
58 H LYS 9 H LYS 9 -6.162 -3.328 -1.831
59 HA LYS 9 HA LYS 9 -8.681 -1.810 -1.961
60 HB2 LYS 9 HB2 LYS 9 -8.389 -4.671 -2.873
61 HB3 LYS 9 HB3 LYS 9 -9.778 -3.612 -3.082
62 HG2 LYS 9 HG2 LYS 9 -8.497 -2.216 -4.613
63 HG3 LYS 9 HG3 LYS 9 -7.088 -3.255 -4.391
64 HD2 LYS 9 HD2 LYS 9 -9.749 -4.114 -5.530
65 HD3 LYS 9 HD3 LYS 9 -8.287 -3.784 -6.464
66 HE2 LYS 9 HE2 LYS 9 -7.140 -5.582 -5.189
67 HE3 LYS 9 HE3 LYS 9 -8.675 -5.954 -4.404
68 HZ1 LYS 9 HZ1 LYS 9 -7.745 -6.940 -6.811
69 HZ2 LYS 9 HZ2 LYS 9 -8.998 -5.879 -7.215
70 HZ3 LYS 9 HZ3 LYS 9 -9.285 -7.157 -6.144
71 H ARG 10 H ARG 10 -10.519 -3.205 -0.961
72 HA ARG 10 HA ARG 10 -9.890 -3.604 1.757
73 HB2 ARG 10 HB2 ARG 10 -12.148 -2.993 0.703
74 HB3 ARG 10 HB3 ARG 10 -12.338 -4.715 0.402
75 HG2 ARG 10 HG2 ARG 10 -12.132 -5.152 2.801
76 HG3 ARG 10 HG3 ARG 10 -11.963 -3.421 3.095
77 HD2 ARG 10 HD2 ARG 10 -14.219 -3.854 3.520
78 HD3 ARG 10 HD3 ARG 10 -14.208 -3.188 1.888
79 HE ARG 10 HE ARG 10 -14.050 -6.034 1.879
80 HH11 ARG 10 HH11 ARG 10 -16.242 -3.351 2.217
81 HH12 ARG 10 HH12 ARG 10 -17.623 -4.243 1.668
82 HH21 ARG 10 HH21 ARG 10 -15.860 -7.218 1.155
83 HH22 ARG 10 HH22 ARG 10 -17.404 -6.442 1.065
84 H HIS 11 H HIS 11 -10.183 -5.796 -0.965
85 HA HIS 11 HA HIS 11 -10.180 -8.200 0.552
86 HB2 HIS 11 HB2 HIS 11 -9.516 -7.628 -2.338
87 HB3 HIS 11 HB3 HIS 11 -9.537 -9.252 -1.656
88 HD1 HIS 11 HD1 HIS 11 -11.439 -9.258 -3.731
89 HD2 HIS 11 HD2 HIS 11 -12.435 -7.487 -0.107
90 HE1 HIS 11 HE1 HIS 11 -13.952 -9.175 -3.691
91 H GLY 12 H GLY 12 -7.748 -5.952 -0.257
92 HA2 GLY 12 HA2 GLY 12 -5.630 -6.071 0.880
93 HA3 GLY 12 HA3 GLY 12 -5.713 -7.822 0.761
94 H GLY 13 H GLY 13 -6.712 -7.295 -2.128
95 HA2 GLY 13 HA2 GLY 13 -4.161 -7.674 -3.351
96 HA3 GLY 13 HA3 GLY 13 -5.700 -7.518 -4.184
97 H CYS 14 H CYS 14 -4.230 -6.332 -5.704
98 HA CYS 14 HA CYS 14 -4.126 -3.492 -4.932
99 HB2 CYS 14 HB2 CYS 14 -2.118 -4.991 -6.629
100 HB3 CYS 14 HB3 CYS 14 -2.106 -3.254 -6.344
101 H SER 15 H SER 15 -5.620 -2.450 -6.062
102 HA SER 15 HA SER 15 -6.734 -3.443 -8.481
103 HB2 SER 15 HB2 SER 15 -7.774 -1.862 -6.677
104 HB3 SER 15 HB3 SER 15 -7.018 -0.580 -7.623
105 HG SER 15 HG SER 15 -8.145 -1.773 -9.460
106 H CYS 16 H CYS 16 -6.127 -3.138 -10.524
107 HA CYS 16 HA CYS 16 -4.296 -0.923 -11.145
108 HB2 CYS 16 HB2 CYS 16 -4.006 -3.702 -12.295
109 HB3 CYS 16 HB3 CYS 16 -2.911 -2.339 -12.503
110 HN1 NH2 17 H2 NH2 17 -5.654 -0.509 -14.396
111 HN2 NH2 17 H1 NH2 17 -4.289 -0.283 -13.394
Start of MODEL 17
1 H1 TRP 1 H TRP 1 1.642 1.160 0.800
2 HA TRP 1 HA TRP 1 1.793 1.603 -1.870
3 HB2 TRP 1 HB2 TRP 1 3.727 1.617 -0.315
4 HB3 TRP 1 HB3 TRP 1 3.720 -0.144 -0.324
5 HD1 TRP 1 HD1 TRP 1 4.967 2.824 -2.259
6 HE1 TRP 1 HE1 TRP 1 6.292 2.022 -4.315
7 HE3 TRP 1 HE3 TRP 1 3.739 -2.137 -2.131
8 HZ2 TRP 1 HZ2 TRP 1 6.755 -0.394 -5.699
9 HZ3 TRP 1 HZ3 TRP 1 4.664 -3.626 -3.857
10 HH2 TRP 1 HH2 TRP 1 6.141 -2.770 -5.604
11 H CYS 2 H CYS 2 1.879 0.421 -3.754
12 HA CYS 2 HA CYS 2 1.507 -2.473 -3.610
13 HB2 CYS 2 HB2 CYS 2 -0.505 -0.511 -4.555
14 HB3 CYS 2 HB3 CYS 2 -0.278 -1.939 -5.560
15 H ALA 3 H ALA 3 1.535 -3.427 -5.890
16 HA ALA 3 HA ALA 3 3.934 -2.663 -7.158
17 HB1 ALA 3 HB1 ALA 3 1.782 -4.373 -8.384
18 HB2 ALA 3 HB2 ALA 3 3.517 -4.412 -8.702
19 HB3 ALA 3 HB3 ALA 3 2.893 -4.957 -7.145
20 H SER 4 H SER 4 4.355 -1.536 -9.011
21 HA SER 4 HA SER 4 4.082 0.122 -10.552
22 HB2 SER 4 HB2 SER 4 2.770 -1.941 -11.506
23 HB3 SER 4 HB3 SER 4 1.352 -0.943 -11.184
24 HG SER 4 HG SER 4 2.503 -0.796 -13.335
25 H GLY 5 H GLY 5 3.175 0.672 -7.854
26 HA2 GLY 5 HA2 GLY 5 2.089 2.336 -6.706
27 HA3 GLY 5 HA3 GLY 5 1.970 3.169 -8.249
28 H CYS 6 H CYS 6 0.557 0.025 -7.894
29 HA CYS 6 HA CYS 6 -1.970 0.797 -8.760
30 HB2 CYS 6 HB2 CYS 6 -0.831 -1.616 -7.455
31 HB3 CYS 6 HB3 CYS 6 -2.583 -1.443 -7.410
32 H ARG 7 H ARG 7 -4.001 0.197 -7.333
33 HA ARG 7 HA ARG 7 -3.784 1.832 -4.896
34 HB2 ARG 7 HB2 ARG 7 -6.110 1.302 -6.745
35 HB3 ARG 7 HB3 ARG 7 -6.288 2.086 -5.181
36 HG2 ARG 7 HG2 ARG 7 -4.851 3.900 -5.888
37 HG3 ARG 7 HG3 ARG 7 -4.565 3.097 -7.433
38 HD2 ARG 7 HD2 ARG 7 -6.765 3.447 -8.152
39 HD3 ARG 7 HD3 ARG 7 -7.336 3.790 -6.519
40 HE ARG 7 HE ARG 7 -5.407 5.699 -7.342
41 HH11 ARG 7 HH11 ARG 7 -8.734 4.771 -7.776
42 HH12 ARG 7 HH12 ARG 7 -9.264 6.372 -8.173
43 HH21 ARG 7 HH21 ARG 7 -6.093 7.811 -7.862
44 HH22 ARG 7 HH22 ARG 7 -7.761 8.101 -8.221
45 H LYS 8 H LYS 8 -3.758 0.705 -3.076
46 HA LYS 8 HA LYS 8 -4.254 -1.992 -2.775
47 HB2 LYS 8 HB2 LYS 8 -3.676 0.224 -1.065
48 HB3 LYS 8 HB3 LYS 8 -4.957 -0.729 -0.327
49 HG2 LYS 8 HG2 LYS 8 -3.323 -2.717 -0.983
50 HG3 LYS 8 HG3 LYS 8 -2.128 -1.424 -0.847
51 HD2 LYS 8 HD2 LYS 8 -2.898 -0.934 1.413
52 HD3 LYS 8 HD3 LYS 8 -4.136 -2.185 1.276
53 HE2 LYS 8 HE2 LYS 8 -2.410 -3.219 2.462
54 HE3 LYS 8 HE3 LYS 8 -2.193 -3.787 0.807
55 HZ1 LYS 8 HZ1 LYS 8 -0.531 -1.976 2.384
56 HZ2 LYS 8 HZ2 LYS 8 -0.644 -1.672 0.724
57 HZ3 LYS 8 HZ3 LYS 8 -0.077 -3.168 1.272
58 H LYS 9 H LYS 9 -5.978 -3.185 -1.854
59 HA LYS 9 HA LYS 9 -8.603 -1.856 -1.940
60 HB2 LYS 9 HB2 LYS 9 -8.152 -4.673 -2.913
61 HB3 LYS 9 HB3 LYS 9 -9.582 -3.670 -3.120
62 HG2 LYS 9 HG2 LYS 9 -8.325 -2.188 -4.606
63 HG3 LYS 9 HG3 LYS 9 -6.898 -3.210 -4.406
64 HD2 LYS 9 HD2 LYS 9 -9.540 -4.153 -5.517
65 HD3 LYS 9 HD3 LYS 9 -8.159 -3.658 -6.500
66 HE2 LYS 9 HE2 LYS 9 -7.764 -5.897 -6.436
67 HE3 LYS 9 HE3 LYS 9 -6.921 -5.432 -4.959
68 HZ1 LYS 9 HZ1 LYS 9 -9.155 -7.141 -5.269
69 HZ2 LYS 9 HZ2 LYS 9 -9.556 -5.855 -4.246
70 HZ3 LYS 9 HZ3 LYS 9 -8.229 -6.839 -3.885
71 H ARG 10 H ARG 10 -10.239 -2.811 -0.621
72 HA ARG 10 HA ARG 10 -9.397 -3.560 1.927
73 HB2 ARG 10 HB2 ARG 10 -11.687 -3.892 2.457
74 HB3 ARG 10 HB3 ARG 10 -11.642 -2.599 1.264
75 HG2 ARG 10 HG2 ARG 10 -13.317 -3.813 0.361
76 HG3 ARG 10 HG3 ARG 10 -11.965 -4.668 -0.386
77 HD2 ARG 10 HD2 ARG 10 -13.089 -6.456 0.456
78 HD3 ARG 10 HD3 ARG 10 -12.102 -6.066 1.864
79 HE ARG 10 HE ARG 10 -14.374 -4.611 2.224
80 HH11 ARG 10 HH11 ARG 10 -13.697 -7.978 1.658
81 HH12 ARG 10 HH12 ARG 10 -15.080 -8.538 2.537
82 HH21 ARG 10 HH21 ARG 10 -16.198 -5.337 3.385
83 HH22 ARG 10 HH22 ARG 10 -16.503 -7.035 3.518
84 H HIS 11 H HIS 11 -9.970 -5.469 -0.906
85 HA HIS 11 HA HIS 11 -10.283 -7.982 0.396
86 HB2 HIS 11 HB2 HIS 11 -9.435 -7.319 -2.431
87 HB3 HIS 11 HB3 HIS 11 -9.837 -8.935 -1.857
88 HD1 HIS 11 HD1 HIS 11 -12.209 -9.607 -2.115
89 HD2 HIS 11 HD2 HIS 11 -11.743 -5.479 -2.196
90 HE1 HIS 11 HE1 HIS 11 -14.488 -8.683 -2.642
91 H GLY 12 H GLY 12 -7.596 -5.972 -0.205
92 HA2 GLY 12 HA2 GLY 12 -5.522 -6.435 0.927
93 HA3 GLY 12 HA3 GLY 12 -5.806 -8.148 0.656
94 H GLY 13 H GLY 13 -6.698 -7.235 -2.181
95 HA2 GLY 13 HA2 GLY 13 -4.095 -7.674 -3.364
96 HA3 GLY 13 HA3 GLY 13 -5.628 -7.569 -4.217
97 H CYS 14 H CYS 14 -4.183 -6.326 -5.714
98 HA CYS 14 HA CYS 14 -4.168 -3.488 -4.921
99 HB2 CYS 14 HB2 CYS 14 -2.131 -4.928 -6.632
100 HB3 CYS 14 HB3 CYS 14 -2.171 -3.189 -6.364
101 H SER 15 H SER 15 -5.616 -2.403 -6.061
102 HA SER 15 HA SER 15 -6.847 -3.406 -8.402
103 HB2 SER 15 HB2 SER 15 -7.762 -1.708 -6.679
104 HB3 SER 15 HB3 SER 15 -6.886 -0.499 -7.618
105 HG SER 15 HG SER 15 -9.264 -1.497 -8.119
106 H CYS 16 H CYS 16 -6.119 -3.408 -10.413
107 HA CYS 16 HA CYS 16 -4.311 -1.256 -11.277
108 HB2 CYS 16 HB2 CYS 16 -3.987 -4.156 -12.065
109 HB3 CYS 16 HB3 CYS 16 -2.916 -2.819 -12.471
110 HN1 NH2 17 H2 NH2 17 -5.581 -1.341 -14.614
111 HN2 NH2 17 H1 NH2 17 -4.195 -1.045 -13.661
Start of MODEL 18
1 H1 TRP 1 H TRP 1 1.682 -0.386 0.488
2 HA TRP 1 HA TRP 1 1.615 1.301 -1.928
3 HB2 TRP 1 HB2 TRP 1 3.735 1.518 -0.678
4 HB3 TRP 1 HB3 TRP 1 3.979 -0.221 -0.809
5 HD1 TRP 1 HD1 TRP 1 4.492 2.993 -2.686
6 HE1 TRP 1 HE1 TRP 1 5.614 2.502 -4.950
7 HE3 TRP 1 HE3 TRP 1 4.034 -2.098 -2.731
8 HZ2 TRP 1 HZ2 TRP 1 6.224 0.254 -6.543
9 HZ3 TRP 1 HZ3 TRP 1 4.913 -3.344 -4.662
10 HH2 TRP 1 HH2 TRP 1 5.984 -2.191 -6.528
11 H CYS 2 H CYS 2 1.222 0.324 -3.822
12 HA CYS 2 HA CYS 2 1.206 -2.624 -3.863
13 HB2 CYS 2 HB2 CYS 2 -0.782 -0.627 -4.801
14 HB3 CYS 2 HB3 CYS 2 -0.536 -2.039 -5.824
15 H ALA 3 H ALA 3 1.499 -3.580 -6.031
16 HA ALA 3 HA ALA 3 3.857 -2.771 -7.240
17 HB1 ALA 3 HB1 ALA 3 3.139 -5.009 -7.534
18 HB2 ALA 3 HB2 ALA 3 1.621 -4.498 -8.273
19 HB3 ALA 3 HB3 ALA 3 3.143 -4.271 -9.136
20 H SER 4 H SER 4 4.382 -1.590 -9.043
21 HA SER 4 HA SER 4 4.227 0.147 -10.509
22 HB2 SER 4 HB2 SER 4 2.983 -1.687 -11.730
23 HB3 SER 4 HB3 SER 4 1.486 -0.957 -11.148
24 HG SER 4 HG SER 4 1.879 0.829 -12.355
25 H GLY 5 H GLY 5 3.320 0.626 -7.804
26 HA2 GLY 5 HA2 GLY 5 2.324 2.303 -6.596
27 HA3 GLY 5 HA3 GLY 5 2.240 3.197 -8.106
28 H CYS 6 H CYS 6 0.684 0.136 -8.032
29 HA CYS 6 HA CYS 6 -1.817 1.126 -8.746
30 HB2 CYS 6 HB2 CYS 6 -0.802 -1.490 -7.737
31 HB3 CYS 6 HB3 CYS 6 -2.544 -1.232 -7.744
32 H ARG 7 H ARG 7 -3.853 0.431 -7.369
33 HA ARG 7 HA ARG 7 -3.569 1.824 -4.804
34 HB2 ARG 7 HB2 ARG 7 -5.990 1.248 -6.518
35 HB3 ARG 7 HB3 ARG 7 -6.072 1.999 -4.930
36 HG2 ARG 7 HG2 ARG 7 -4.388 3.167 -7.113
37 HG3 ARG 7 HG3 ARG 7 -6.114 3.510 -6.994
38 HD2 ARG 7 HD2 ARG 7 -4.385 3.838 -4.585
39 HD3 ARG 7 HD3 ARG 7 -4.356 5.075 -5.842
40 HE ARG 7 HE ARG 7 -6.467 4.562 -3.968
41 HH11 ARG 7 HH11 ARG 7 -5.689 5.856 -7.104
42 HH12 ARG 7 HH12 ARG 7 -7.067 6.903 -7.160
43 HH21 ARG 7 HH21 ARG 7 -8.287 5.936 -4.029
44 HH22 ARG 7 HH22 ARG 7 -8.545 6.948 -5.409
45 H LYS 8 H LYS 8 -4.509 0.998 -2.899
46 HA LYS 8 HA LYS 8 -4.448 -1.891 -2.746
47 HB2 LYS 8 HB2 LYS 8 -4.404 0.361 -0.813
48 HB3 LYS 8 HB3 LYS 8 -5.078 -1.159 -0.240
49 HG2 LYS 8 HG2 LYS 8 -3.064 -2.298 -0.523
50 HG3 LYS 8 HG3 LYS 8 -2.405 -1.055 -1.589
51 HD2 LYS 8 HD2 LYS 8 -1.305 -0.772 0.481
52 HD3 LYS 8 HD3 LYS 8 -2.514 0.511 0.404
53 HE2 LYS 8 HE2 LYS 8 -3.995 -0.738 1.838
54 HE3 LYS 8 HE3 LYS 8 -2.903 -2.123 1.821
55 HZ1 LYS 8 HZ1 LYS 8 -1.657 -1.231 3.414
56 HZ2 LYS 8 HZ2 LYS 8 -2.921 -0.138 3.674
57 HZ3 LYS 8 HZ3 LYS 8 -1.623 0.293 2.678
58 H LYS 9 H LYS 9 -6.134 -3.175 -1.838
59 HA LYS 9 HA LYS 9 -8.813 -1.965 -2.014
60 HB2 LYS 9 HB2 LYS 9 -8.199 -4.794 -2.857
61 HB3 LYS 9 HB3 LYS 9 -9.671 -3.874 -3.143
62 HG2 LYS 9 HG2 LYS 9 -8.418 -2.376 -4.639
63 HG3 LYS 9 HG3 LYS 9 -6.976 -3.361 -4.385
64 HD2 LYS 9 HD2 LYS 9 -9.576 -4.397 -5.509
65 HD3 LYS 9 HD3 LYS 9 -8.196 -3.891 -6.487
66 HE2 LYS 9 HE2 LYS 9 -7.708 -6.101 -6.361
67 HE3 LYS 9 HE3 LYS 9 -6.949 -5.594 -4.854
68 HZ1 LYS 9 HZ1 LYS 9 -8.240 -7.091 -3.874
69 HZ2 LYS 9 HZ2 LYS 9 -9.179 -7.326 -5.260
70 HZ3 LYS 9 HZ3 LYS 9 -9.556 -6.074 -4.185
71 H ARG 10 H ARG 10 -10.463 -3.027 -0.750
72 HA ARG 10 HA ARG 10 -9.671 -3.598 1.869
73 HB2 ARG 10 HB2 ARG 10 -11.995 -4.228 2.264
74 HB3 ARG 10 HB3 ARG 10 -11.907 -2.770 1.285
75 HG2 ARG 10 HG2 ARG 10 -12.079 -5.325 -0.182
76 HG3 ARG 10 HG3 ARG 10 -13.513 -4.829 0.720
77 HD2 ARG 10 HD2 ARG 10 -13.030 -2.517 -0.444
78 HD3 ARG 10 HD3 ARG 10 -12.183 -3.533 -1.609
79 HE ARG 10 HE ARG 10 -14.682 -4.668 -1.211
80 HH11 ARG 10 HH11 ARG 10 -13.356 -1.695 -2.442
81 HH12 ARG 10 HH12 ARG 10 -14.665 -1.415 -3.542
82 HH21 ARG 10 HH21 ARG 10 -16.411 -4.312 -2.656
83 HH22 ARG 10 HH22 ARG 10 -16.402 -2.904 -3.663
84 H HIS 11 H HIS 11 -9.864 -5.615 -0.903
85 HA HIS 11 HA HIS 11 -10.108 -8.102 0.514
86 HB2 HIS 11 HB2 HIS 11 -9.397 -7.426 -2.341
87 HB3 HIS 11 HB3 HIS 11 -9.462 -9.079 -1.738
88 HD1 HIS 11 HD1 HIS 11 -11.669 -10.196 -1.902
89 HD2 HIS 11 HD2 HIS 11 -12.006 -6.057 -2.040
90 HE1 HIS 11 HE1 HIS 11 -14.099 -9.733 -2.355
91 H GLY 12 H GLY 12 -7.560 -5.941 -0.181
92 HA2 GLY 12 HA2 GLY 12 -5.466 -6.203 0.976
93 HA3 GLY 12 HA3 GLY 12 -5.631 -7.943 0.792
94 H GLY 13 H GLY 13 -6.565 -7.266 -2.088
95 HA2 GLY 13 HA2 GLY 13 -3.933 -7.572 -3.242
96 HA3 GLY 13 HA3 GLY 13 -5.465 -7.622 -4.103
97 H CYS 14 H CYS 14 -4.103 -6.360 -5.661
98 HA CYS 14 HA CYS 14 -4.237 -3.492 -4.996
99 HB2 CYS 14 HB2 CYS 14 -2.251 -4.806 -6.862
100 HB3 CYS 14 HB3 CYS 14 -2.299 -3.106 -6.407
101 H SER 15 H SER 15 -5.559 -2.340 -6.230
102 HA SER 15 HA SER 15 -6.877 -3.564 -8.479
103 HB2 SER 15 HB2 SER 15 -7.872 -1.930 -6.705
104 HB3 SER 15 HB3 SER 15 -7.189 -0.672 -7.734
105 HG SER 15 HG SER 15 -9.262 -1.048 -8.431
106 H CYS 16 H CYS 16 -5.873 -3.671 -10.376
107 HA CYS 16 HA CYS 16 -4.431 -1.282 -11.324
108 HB2 CYS 16 HB2 CYS 16 -3.763 -4.144 -12.033
109 HB3 CYS 16 HB3 CYS 16 -2.858 -2.702 -12.482
110 HN1 NH2 17 H2 NH2 17 -5.837 -1.371 -14.547
111 HN2 NH2 17 H1 NH2 17 -4.605 -0.772 -13.528
Start of MODEL 19
1 H1 TRP 1 H TRP 1 1.744 -1.101 0.706
2 HA TRP 1 HA TRP 1 1.978 0.649 -1.643
3 HB2 TRP 1 HB2 TRP 1 4.005 0.366 -0.246
4 HB3 TRP 1 HB3 TRP 1 3.959 -1.367 -0.562
5 HD1 TRP 1 HD1 TRP 1 5.182 1.871 -2.005
6 HE1 TRP 1 HE1 TRP 1 6.351 1.432 -4.257
7 HE3 TRP 1 HE3 TRP 1 3.780 -2.995 -2.714
8 HZ2 TRP 1 HZ2 TRP 1 6.638 -0.694 -6.091
9 HZ3 TRP 1 HZ3 TRP 1 4.544 -4.158 -4.743
10 HH2 TRP 1 HH2 TRP 1 5.943 -3.029 -6.396
11 H CYS 2 H CYS 2 1.596 -0.086 -3.650
12 HA CYS 2 HA CYS 2 1.107 -2.974 -3.982
13 HB2 CYS 2 HB2 CYS 2 -0.575 -0.649 -4.650
14 HB3 CYS 2 HB3 CYS 2 -0.423 -1.839 -5.940
15 H ALA 3 H ALA 3 1.140 -3.585 -6.388
16 HA ALA 3 HA ALA 3 3.710 -3.047 -7.407
17 HB1 ALA 3 HB1 ALA 3 2.628 -5.137 -7.888
18 HB2 ALA 3 HB2 ALA 3 1.311 -4.311 -8.723
19 HB3 ALA 3 HB3 ALA 3 2.937 -4.296 -9.407
20 H SER 4 H SER 4 4.454 -1.653 -8.915
21 HA SER 4 HA SER 4 4.552 0.246 -10.170
22 HB2 SER 4 HB2 SER 4 3.010 -1.489 -11.520
23 HB3 SER 4 HB3 SER 4 1.833 -0.196 -11.290
24 HG SER 4 HG SER 4 2.836 0.907 -12.759
25 H GLY 5 H GLY 5 3.338 0.423 -7.515
26 HA2 GLY 5 HA2 GLY 5 2.343 2.028 -6.209
27 HA3 GLY 5 HA3 GLY 5 2.485 3.103 -7.592
28 H CYS 6 H CYS 6 0.676 0.090 -7.579
29 HA CYS 6 HA CYS 6 -1.660 1.372 -8.579
30 HB2 CYS 6 HB2 CYS 6 -0.874 -1.400 -7.854
31 HB3 CYS 6 HB3 CYS 6 -2.598 -1.043 -7.882
32 H ARG 7 H ARG 7 -3.852 0.698 -7.471
33 HA ARG 7 HA ARG 7 -3.749 1.854 -4.793
34 HB2 ARG 7 HB2 ARG 7 -5.874 1.520 -6.869
35 HB3 ARG 7 HB3 ARG 7 -6.350 1.715 -5.188
36 HG2 ARG 7 HG2 ARG 7 -4.459 3.640 -6.482
37 HG3 ARG 7 HG3 ARG 7 -6.204 3.797 -6.686
38 HD2 ARG 7 HD2 ARG 7 -6.371 3.724 -4.163
39 HD3 ARG 7 HD3 ARG 7 -4.617 3.897 -4.131
40 HE ARG 7 HE ARG 7 -4.861 6.110 -4.663
41 HH11 ARG 7 HH11 ARG 7 -7.851 4.445 -5.305
42 HH12 ARG 7 HH12 ARG 7 -8.740 5.897 -5.628
43 HH21 ARG 7 HH21 ARG 7 -6.021 8.028 -5.087
44 HH22 ARG 7 HH22 ARG 7 -7.699 7.933 -5.505
45 H LYS 8 H LYS 8 -4.414 0.828 -2.963
46 HA LYS 8 HA LYS 8 -4.429 -2.032 -2.989
47 HB2 LYS 8 HB2 LYS 8 -4.438 0.106 -0.951
48 HB3 LYS 8 HB3 LYS 8 -5.206 -1.400 -0.466
49 HG2 LYS 8 HG2 LYS 8 -2.503 -1.475 -1.722
50 HG3 LYS 8 HG3 LYS 8 -2.669 -1.008 -0.028
51 HD2 LYS 8 HD2 LYS 8 -4.153 -3.172 0.091
52 HD3 LYS 8 HD3 LYS 8 -3.232 -3.623 -1.346
53 HE2 LYS 8 HE2 LYS 8 -1.939 -2.715 1.216
54 HE3 LYS 8 HE3 LYS 8 -2.302 -4.407 0.873
55 HZ1 LYS 8 HZ1 LYS 8 -0.655 -2.711 -0.916
56 HZ2 LYS 8 HZ2 LYS 8 -0.838 -4.391 -0.965
57 HZ3 LYS 8 HZ3 LYS 8 0.005 -3.670 0.313
58 H LYS 9 H LYS 9 -6.152 -3.242 -1.721
59 HA LYS 9 HA LYS 9 -8.834 -2.148 -2.203
60 HB2 LYS 9 HB2 LYS 9 -8.085 -4.994 -2.873
61 HB3 LYS 9 HB3 LYS 9 -9.603 -4.177 -3.215
62 HG2 LYS 9 HG2 LYS 9 -8.306 -2.622 -4.707
63 HG3 LYS 9 HG3 LYS 9 -6.928 -3.704 -4.498
64 HD2 LYS 9 HD2 LYS 9 -9.625 -4.484 -5.605
65 HD3 LYS 9 HD3 LYS 9 -8.167 -4.196 -6.557
66 HE2 LYS 9 HE2 LYS 9 -8.040 -6.464 -6.361
67 HE3 LYS 9 HE3 LYS 9 -7.169 -6.001 -4.900
68 HZ1 LYS 9 HZ1 LYS 9 -9.896 -6.109 -4.293
69 HZ2 LYS 9 HZ2 LYS 9 -8.657 -7.105 -3.715
70 HZ3 LYS 9 HZ3 LYS 9 -9.502 -7.534 -5.116
71 H ARG 10 H ARG 10 -10.541 -3.412 -1.063
72 HA ARG 10 HA ARG 10 -10.004 -3.620 1.658
73 HB2 ARG 10 HB2 ARG 10 -12.210 -4.792 1.797
74 HB3 ARG 10 HB3 ARG 10 -12.255 -3.276 0.907
75 HG2 ARG 10 HG2 ARG 10 -11.740 -5.190 -1.031
76 HG3 ARG 10 HG3 ARG 10 -12.919 -5.948 0.040
77 HD2 ARG 10 HD2 ARG 10 -14.492 -4.238 -0.305
78 HD3 ARG 10 HD3 ARG 10 -13.283 -3.152 -0.992
79 HE ARG 10 HE ARG 10 -14.734 -5.231 -2.361
80 HH11 ARG 10 HH11 ARG 10 -11.905 -3.203 -2.370
81 HH12 ARG 10 HH12 ARG 10 -11.663 -3.324 -4.081
82 HH21 ARG 10 HH21 ARG 10 -14.426 -5.399 -4.615
83 HH22 ARG 10 HH22 ARG 10 -13.099 -4.573 -5.357
84 H HIS 11 H HIS 11 -10.010 -6.090 -0.854
85 HA HIS 11 HA HIS 11 -9.716 -8.303 0.912
86 HB2 HIS 11 HB2 HIS 11 -9.118 -8.006 -2.037
87 HB3 HIS 11 HB3 HIS 11 -9.043 -9.534 -1.164
88 HD1 HIS 11 HD1 HIS 11 -11.199 -10.783 -0.850
89 HD2 HIS 11 HD2 HIS 11 -11.782 -6.902 -2.217
90 HE1 HIS 11 HE1 HIS 11 -13.644 -10.630 -1.419
91 H GLY 12 H GLY 12 -7.584 -5.878 -0.133
92 HA2 GLY 12 HA2 GLY 12 -5.450 -5.659 0.957
93 HA3 GLY 12 HA3 GLY 12 -5.322 -7.413 0.964
94 H GLY 13 H GLY 13 -6.414 -7.247 -1.924
95 HA2 GLY 13 HA2 GLY 13 -3.826 -7.319 -3.163
96 HA3 GLY 13 HA3 GLY 13 -5.372 -7.562 -3.962
97 H CYS 14 H CYS 14 -4.176 -6.296 -5.648
98 HA CYS 14 HA CYS 14 -4.458 -3.406 -5.143
99 HB2 CYS 14 HB2 CYS 14 -2.662 -4.666 -7.218
100 HB3 CYS 14 HB3 CYS 14 -2.685 -2.985 -6.695
101 H SER 15 H SER 15 -5.314 -2.109 -6.816
102 HA SER 15 HA SER 15 -6.897 -3.614 -8.796
103 HB2 SER 15 HB2 SER 15 -8.025 -2.224 -6.857
104 HB3 SER 15 HB3 SER 15 -7.681 -0.860 -7.921
105 HG SER 15 HG SER 15 -9.058 -1.627 -9.387
106 H CYS 16 H CYS 16 -5.149 -3.493 -10.300
107 HA CYS 16 HA CYS 16 -4.305 -0.872 -11.216
108 HB2 CYS 16 HB2 CYS 16 -3.590 -3.589 -12.334
109 HB3 CYS 16 HB3 CYS 16 -2.770 -2.065 -12.660
110 HN1 NH2 17 H2 NH2 17 -5.603 -0.962 -14.602
111 HN2 NH2 17 H1 NH2 17 -4.165 -0.673 -13.725
Start of MODEL 20
1 H1 TRP 1 H TRP 1 1.477 0.442 0.341
2 HA TRP 1 HA TRP 1 1.264 1.802 -2.265
3 HB2 TRP 1 HB2 TRP 1 3.351 2.369 -1.084
4 HB3 TRP 1 HB3 TRP 1 3.748 0.657 -0.972
5 HD1 TRP 1 HD1 TRP 1 4.007 3.612 -3.272
6 HE1 TRP 1 HE1 TRP 1 5.175 2.911 -5.456
7 HE3 TRP 1 HE3 TRP 1 3.955 -1.460 -2.628
8 HZ2 TRP 1 HZ2 TRP 1 5.969 0.523 -6.736
9 HZ3 TRP 1 HZ3 TRP 1 4.938 -2.881 -4.380
10 HH2 TRP 1 HH2 TRP 1 5.923 -1.908 -6.390
11 H CYS 2 H CYS 2 1.013 0.567 -4.036
12 HA CYS 2 HA CYS 2 1.225 -2.353 -3.700
13 HB2 CYS 2 HB2 CYS 2 -0.890 -0.656 -4.910
14 HB3 CYS 2 HB3 CYS 2 -0.513 -2.162 -5.740
15 H ALA 3 H ALA 3 1.400 -3.480 -5.906
16 HA ALA 3 HA ALA 3 3.813 -2.795 -7.103
17 HB1 ALA 3 HB1 ALA 3 1.555 -4.489 -8.161
18 HB2 ALA 3 HB2 ALA 3 3.158 -4.397 -8.893
19 HB3 ALA 3 HB3 ALA 3 2.969 -5.034 -7.259
20 H SER 4 H SER 4 4.402 -1.657 -8.896
21 HA SER 4 HA SER 4 4.309 -0.005 -10.458
22 HB2 SER 4 HB2 SER 4 2.984 -1.927 -11.552
23 HB3 SER 4 HB3 SER 4 1.546 -0.982 -11.161
24 HG SER 4 HG SER 4 2.212 -0.424 -13.215
25 H GLY 5 H GLY 5 3.274 0.554 -7.781
26 HA2 GLY 5 HA2 GLY 5 2.306 2.324 -6.684
27 HA3 GLY 5 HA3 GLY 5 2.255 3.144 -8.236
28 H CYS 6 H CYS 6 0.675 0.102 -8.047
29 HA CYS 6 HA CYS 6 -1.813 1.105 -8.827
30 HB2 CYS 6 HB2 CYS 6 -0.844 -1.509 -7.757
31 HB3 CYS 6 HB3 CYS 6 -2.580 -1.230 -7.841
32 H ARG 7 H ARG 7 -3.868 0.439 -7.466
33 HA ARG 7 HA ARG 7 -3.632 1.910 -4.949
34 HB2 ARG 7 HB2 ARG 7 -5.869 1.309 -6.836
35 HB3 ARG 7 HB3 ARG 7 -6.252 1.638 -5.152
36 HG2 ARG 7 HG2 ARG 7 -4.433 3.542 -6.487
37 HG3 ARG 7 HG3 ARG 7 -6.114 3.536 -7.021
38 HD2 ARG 7 HD2 ARG 7 -6.912 4.137 -4.917
39 HD3 ARG 7 HD3 ARG 7 -5.434 3.621 -4.106
40 HE ARG 7 HE ARG 7 -4.765 5.711 -5.818
41 HH11 ARG 7 HH11 ARG 7 -6.702 5.178 -2.975
42 HH12 ARG 7 HH12 ARG 7 -6.508 6.795 -2.382
43 HH21 ARG 7 HH21 ARG 7 -4.504 7.842 -5.048
44 HH22 ARG 7 HH22 ARG 7 -5.259 8.309 -3.562
45 H LYS 8 H LYS 8 -4.796 1.150 -3.050
46 HA LYS 8 HA LYS 8 -4.426 -1.710 -2.692
47 HB2 LYS 8 HB2 LYS 8 -4.673 0.654 -0.920
48 HB3 LYS 8 HB3 LYS 8 -5.284 -0.866 -0.278
49 HG2 LYS 8 HG2 LYS 8 -3.088 -1.901 -0.743
50 HG3 LYS 8 HG3 LYS 8 -2.492 -0.325 -1.268
51 HD2 LYS 8 HD2 LYS 8 -3.637 -0.877 1.467
52 HD3 LYS 8 HD3 LYS 8 -1.913 -0.912 1.090
53 HE2 LYS 8 HE2 LYS 8 -2.375 1.477 0.136
54 HE3 LYS 8 HE3 LYS 8 -3.795 1.407 1.179
55 HZ1 LYS 8 HZ1 LYS 8 -2.051 2.409 2.405
56 HZ2 LYS 8 HZ2 LYS 8 -0.952 1.190 1.993
57 HZ3 LYS 8 HZ3 LYS 8 -2.244 0.848 3.031
58 H LYS 9 H LYS 9 -6.066 -2.994 -1.550
59 HA LYS 9 HA LYS 9 -8.818 -2.078 -2.001
60 HB2 LYS 9 HB2 LYS 9 -7.813 -4.825 -2.764
61 HB3 LYS 9 HB3 LYS 9 -9.446 -4.208 -2.978
62 HG2 LYS 9 HG2 LYS 9 -8.325 -2.396 -4.435
63 HG3 LYS 9 HG3 LYS 9 -6.957 -3.512 -4.477
64 HD2 LYS 9 HD2 LYS 9 -9.785 -4.157 -5.313
65 HD3 LYS 9 HD3 LYS 9 -8.441 -3.819 -6.406
66 HE2 LYS 9 HE2 LYS 9 -7.238 -5.762 -5.407
67 HE3 LYS 9 HE3 LYS 9 -8.696 -6.132 -4.488
68 HZ1 LYS 9 HZ1 LYS 9 -9.895 -6.432 -6.551
69 HZ2 LYS 9 HZ2 LYS 9 -8.540 -7.445 -6.521
70 HZ3 LYS 9 HZ3 LYS 9 -8.520 -6.032 -7.452
71 H ARG 10 H ARG 10 -10.419 -3.210 -0.744
72 HA ARG 10 HA ARG 10 -9.614 -3.671 1.918
73 HB2 ARG 10 HB2 ARG 10 -11.963 -4.415 2.263
74 HB3 ARG 10 HB3 ARG 10 -11.834 -2.861 1.450
75 HG2 ARG 10 HG2 ARG 10 -11.968 -5.156 -0.361
76 HG3 ARG 10 HG3 ARG 10 -13.403 -4.926 0.641
77 HD2 ARG 10 HD2 ARG 10 -12.255 -2.527 -0.666
78 HD3 ARG 10 HD3 ARG 10 -13.068 -3.698 -1.703
79 HE ARG 10 HE ARG 10 -14.766 -3.234 0.425
80 HH11 ARG 10 HH11 ARG 10 -13.317 -1.379 -2.140
81 HH12 ARG 10 HH12 ARG 10 -14.625 -0.247 -2.235
82 HH21 ARG 10 HH21 ARG 10 -16.493 -1.749 0.309
83 HH22 ARG 10 HH22 ARG 10 -16.430 -0.458 -0.841
84 H HIS 11 H HIS 11 -9.962 -5.765 -0.819
85 HA HIS 11 HA HIS 11 -10.107 -8.208 0.672
86 HB2 HIS 11 HB2 HIS 11 -9.786 -7.479 -2.207
87 HB3 HIS 11 HB3 HIS 11 -9.362 -9.111 -1.702
88 HD1 HIS 11 HD1 HIS 11 -11.309 -10.249 -2.882
89 HD2 HIS 11 HD2 HIS 11 -12.501 -7.290 -0.220
90 HE1 HIS 11 HE1 HIS 11 -13.799 -10.513 -2.656
91 H GLY 12 H GLY 12 -7.609 -6.054 -0.118
92 HA2 GLY 12 HA2 GLY 12 -5.466 -6.319 0.944
93 HA3 GLY 12 HA3 GLY 12 -5.625 -8.056 0.735
94 H GLY 13 H GLY 13 -6.687 -7.328 -2.089
95 HA2 GLY 13 HA2 GLY 13 -4.141 -7.668 -3.382
96 HA3 GLY 13 HA3 GLY 13 -5.708 -7.571 -4.171
97 H CYS 14 H CYS 14 -4.334 -6.309 -5.719
98 HA CYS 14 HA CYS 14 -4.351 -3.472 -4.930
99 HB2 CYS 14 HB2 CYS 14 -2.302 -4.782 -6.730
100 HB3 CYS 14 HB3 CYS 14 -2.341 -3.089 -6.249
101 H SER 15 H SER 15 -5.556 -2.228 -6.199
102 HA SER 15 HA SER 15 -6.785 -3.347 -8.557
103 HB2 SER 15 HB2 SER 15 -8.037 -1.928 -6.922
104 HB3 SER 15 HB3 SER 15 -7.061 -0.551 -7.432
105 HG SER 15 HG SER 15 -9.275 -1.403 -8.528
106 H CYS 16 H CYS 16 -5.951 -3.224 -10.522
107 HA CYS 16 HA CYS 16 -4.151 -0.976 -11.152
108 HB2 CYS 16 HB2 CYS 16 -4.053 -3.811 -12.207
109 HB3 CYS 16 HB3 CYS 16 -3.006 -2.498 -12.735
110 HN1 NH2 17 H2 NH2 17 -5.387 -0.904 -14.623
111 HN2 NH2 17 H1 NH2 17 -3.909 -1.089 -13.788