NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
8484 |
1ma5   |
5486 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LYS 1 1HT LYS 1 -5.049 1.551 6.811
2 2H LYS 1 2HT LYS 1 -5.994 0.339 6.045
3 3H LYS 1 3HT LYS 1 -4.606 0.974 5.259
4 HA LYS 1 HA LYS 1 -3.160 -0.057 6.677
5 1HB LYS 1 2HB LYS 1 -4.178 -1.327 8.692
6 2HB LYS 1 1HB LYS 1 -4.002 0.418 8.800
7 1HG LYS 1 2HG LYS 1 -6.134 -0.147 9.677
8 2HG LYS 1 1HG LYS 1 -6.395 0.620 8.109
9 1HD LYS 1 2HD LYS 1 -6.766 -1.511 7.064
10 2HD LYS 1 1HD LYS 1 -6.312 -2.363 8.541
11 1HE LYS 1 2HE LYS 1 -8.316 -2.007 9.522
12 2HE LYS 1 1HE LYS 1 -8.496 -0.404 8.811
13 1HZ LYS 1 1HZ LYS 1 -10.047 -2.290 8.049
14 2HZ LYS 1 2HZ LYS 1 -8.729 -2.810 7.126
15 3HZ LYS 1 3HZ LYS 1 -9.378 -1.269 6.876
16 H TRP 2 H TRP 2 -4.702 -0.820 4.373
17 HA TRP 2 HA TRP 2 -5.474 -3.583 4.756
18 1HB TRP 2 2HB TRP 2 -5.161 -2.180 2.105
19 2HB TRP 2 1HB TRP 2 -6.204 -3.542 2.500
20 HD1 TRP 2 HD TRP 2 -6.119 0.222 2.443
21 HE1 TRP 2 1HE TRP 2 -8.411 1.144 3.165
22 HE3 TRP 2 3HE TRP 2 -8.244 -4.111 4.132
23 HZ2 TRP 2 2HZ TRP 2 -10.802 0.165 4.300
24 HZ3 TRP 2 3HZ TRP 2 -10.537 -4.032 5.021
25 HH2 TRP 2 HH TRP 2 -11.788 -1.936 5.103
26 H CYS 3 H CYS 3 -4.489 -4.490 2.156
27 HA CYS 3 HA CYS 3 -2.224 -5.854 2.813
28 1HB CYS 3 2HB CYS 3 -3.439 -6.400 0.815
29 2HB CYS 3 1HB CYS 3 -3.093 -4.826 0.108
30 H PHE 4 H PHE 4 -2.453 -2.536 1.785
31 HA PHE 4 HA PHE 4 -0.101 -1.655 2.857
32 1HB PHE 4 2HB PHE 4 0.459 -3.225 0.554
33 2HB PHE 4 1HB PHE 4 0.819 -1.551 0.150
34 HD1 PHE 4 1HD PHE 4 1.148 -3.172 3.470
35 HD2 PHE 4 2HD PHE 4 3.152 -1.573 0.072
36 HE1 PHE 4 1HE PHE 4 3.294 -3.349 4.657
37 HE2 PHE 4 2HE PHE 4 5.302 -1.748 1.256
38 HZ PHE 4 HZ PHE 4 5.375 -2.637 3.550
39 H ARG 5 H ARG 5 -2.819 -1.211 1.000
40 HA ARG 5 HA ARG 5 -3.735 0.533 -0.174
41 1HB ARG 5 2HB ARG 5 -3.356 2.741 1.294
42 2HB ARG 5 1HB ARG 5 -4.463 1.461 1.763
43 1HG ARG 5 2HG ARG 5 -3.313 1.881 3.712
44 2HG ARG 5 1HG ARG 5 -2.435 0.503 3.053
45 1HD ARG 5 2HD ARG 5 -1.080 2.535 1.908
46 2HD ARG 5 1HD ARG 5 -1.592 3.306 3.409
47 HE ARG 5 HE ARG 5 -0.572 0.946 4.245
48 1HH1 ARG 5 1HH1 ARG 5 0.665 3.486 2.197
49 2HH1 ARG 5 2HH1 ARG 5 2.317 3.205 2.633
50 1HH2 ARG 5 1HH2 ARG 5 1.600 0.575 4.819
51 2HH2 ARG 5 2HH2 ARG 5 2.848 1.552 4.120
52 H VAL 6 H VAL 6 -1.322 -0.057 -1.318
53 HA VAL 6 HA VAL 6 0.571 1.933 -1.562
54 HB VAL 6 HB VAL 6 1.079 1.028 -3.785
55 1HG1 VAL 6 1HG1 VAL 6 1.406 -0.205 -1.428
56 2HG1 VAL 6 2HG1 VAL 6 1.973 -0.880 -2.956
57 3HG1 VAL 6 3HG1 VAL 6 0.446 -1.426 -2.265
58 1HG2 VAL 6 1HG2 VAL 6 -0.775 0.482 -4.962
59 2HG2 VAL 6 2HG2 VAL 6 -1.670 -0.018 -3.527
60 3HG2 VAL 6 3HG2 VAL 6 -0.488 -1.106 -4.253
61 H CYS 7 H CYS 7 0.440 3.972 -2.151
62 HA CYS 7 HA CYS 7 -0.168 5.900 -3.192
63 1HB CYS 7 2HB CYS 7 -1.400 4.014 -5.216
64 2HB CYS 7 1HB CYS 7 -1.250 5.754 -5.432
65 H TYR 8 H TYR 8 -1.684 4.965 -1.087
66 HA TYR 8 HA TYR 8 -4.014 6.529 -1.292
67 1HB TYR 8 2HB TYR 8 -4.843 4.677 -2.659
68 2HB TYR 8 1HB TYR 8 -4.444 3.534 -1.383
69 HD1 TYR 8 1HD TYR 8 -6.097 2.902 0.109
70 HD2 TYR 8 2HD TYR 8 -6.511 6.585 -1.979
71 HE1 TYR 8 1HE TYR 8 -8.343 3.187 1.070
72 HE2 TYR 8 2HE TYR 8 -8.757 6.881 -1.023
73 HH TYR 8 HH TYR 8 -9.944 4.910 1.530
74 H ARG 9 H ARG 9 -5.415 6.263 0.695
75 HA ARG 9 HA ARG 9 -5.354 6.606 2.974
76 1HB ARG 9 2HB ARG 9 -5.042 3.711 2.378
77 2HB ARG 9 1HB ARG 9 -4.871 4.210 4.054
78 1HG ARG 9 2HG ARG 9 -7.233 5.125 2.478
79 2HG ARG 9 1HG ARG 9 -7.191 3.487 3.133
80 1HD ARG 9 2HD ARG 9 -6.382 5.495 5.077
81 2HD ARG 9 1HD ARG 9 -8.013 5.762 4.466
82 HE ARG 9 HE ARG 9 -7.584 3.042 5.201
83 1HH1 ARG 9 1HH1 ARG 9 -8.283 6.209 6.487
84 2HH1 ARG 9 2HH1 ARG 9 -9.077 5.598 7.899
85 1HH2 ARG 9 1HH2 ARG 9 -8.633 2.235 7.056
86 2HH2 ARG 9 2HH2 ARG 9 -9.276 3.343 8.222
87 H GLY 10 H GLY 10 -2.864 7.343 1.849
88 1HA GLY 10 2HA GLY 10 -1.275 7.835 3.975
89 2HA GLY 10 1HA GLY 10 -0.780 6.215 3.508
90 H ILE 11 H ILE 11 -0.343 6.020 1.045
91 HA ILE 11 HA ILE 11 0.398 8.147 -0.563
92 HB ILE 11 HB ILE 11 3.017 7.745 -0.194
93 1HG1 ILE 11 2HG1 ILE 11 2.537 8.087 2.649
94 2HG1 ILE 11 1HG1 ILE 11 1.963 6.521 2.087
95 1HG2 ILE 11 1HG2 ILE 11 2.125 9.766 1.683
96 2HG2 ILE 11 2HG2 ILE 11 1.249 9.827 0.153
97 3HG2 ILE 11 3HG2 ILE 11 3.009 9.934 0.166
98 1HD1 ILE 11 1HD1 ILE 11 4.656 7.360 1.206
99 2HD1 ILE 11 2HD1 ILE 11 4.045 5.763 1.638
100 3HD1 ILE 11 3HD1 ILE 11 4.451 6.924 2.902
101 H CYS 12 H CYS 12 2.415 7.437 -2.044
102 HA CYS 12 HA CYS 12 1.638 4.914 -3.173
103 1HB CYS 12 2HB CYS 12 3.444 7.142 -3.946
104 2HB CYS 12 1HB CYS 12 3.781 5.558 -4.639
105 H TYR 13 H TYR 13 2.292 3.077 -2.266
106 HA TYR 13 HA TYR 13 5.136 2.795 -1.603
107 1HB TYR 13 2HB TYR 13 3.442 3.208 0.390
108 2HB TYR 13 1HB TYR 13 3.128 1.490 0.177
109 HD1 TYR 13 1HD TYR 13 5.185 -0.076 0.202
110 HD2 TYR 13 2HD TYR 13 5.233 3.910 1.688
111 HE1 TYR 13 1HE TYR 13 7.173 -0.609 1.553
112 HE2 TYR 13 2HE TYR 13 7.218 3.392 3.041
113 HH TYR 13 HH TYR 13 8.203 0.396 3.788
114 H ARG 14 H ARG 14 4.825 1.769 -3.830
115 HA ARG 14 HA ARG 14 3.401 -0.580 -4.251
116 1HB ARG 14 2HB ARG 14 6.104 0.102 -5.419
117 2HB ARG 14 1HB ARG 14 4.922 -1.013 -6.093
118 1HG ARG 14 2HG ARG 14 3.820 0.621 -7.115
119 2HG ARG 14 1HG ARG 14 3.798 1.621 -5.661
120 1HD ARG 14 2HD ARG 14 5.006 2.596 -7.650
121 2HD ARG 14 1HD ARG 14 5.925 2.537 -6.146
122 HE ARG 14 HE ARG 14 7.399 1.114 -7.155
123 1HH1 ARG 14 1HH1 ARG 14 4.449 1.163 -9.018
124 2HH1 ARG 14 2HH1 ARG 14 5.097 0.203 -10.305
125 1HH2 ARG 14 1HH2 ARG 14 8.255 -0.149 -8.848
126 2HH2 ARG 14 2HH2 ARG 14 7.257 -0.543 -10.208
127 H ARG 15 H ARG 15 3.461 -2.097 -2.644
128 HA ARG 15 HA ARG 15 5.508 -3.984 -2.608
129 1HB ARG 15 2HB ARG 15 5.977 -1.708 -0.873
130 2HB ARG 15 1HB ARG 15 5.889 -3.201 0.051
131 1HG ARG 15 2HG ARG 15 7.521 -3.382 -2.371
132 2HG ARG 15 1HG ARG 15 8.121 -2.243 -1.164
133 1HD ARG 15 2HD ARG 15 8.487 -3.880 0.399
134 2HD ARG 15 1HD ARG 15 7.242 -4.940 -0.263
135 HE ARG 15 HE ARG 15 9.494 -4.578 -2.010
136 1HH1 ARG 15 1HH1 ARG 15 8.220 -6.421 0.666
137 2HH1 ARG 15 2HH1 ARG 15 9.223 -7.797 0.359
138 1HH2 ARG 15 1HH2 ARG 15 10.816 -6.389 -2.415
139 2HH2 ARG 15 2HH2 ARG 15 10.698 -7.780 -1.389
140 H CYS 16 H CYS 16 2.861 -4.291 -2.816
141 HA CYS 16 HA CYS 16 1.417 -4.679 -0.442
142 1HB CYS 16 2HB CYS 16 0.901 -4.923 -3.159
143 2HB CYS 16 1HB CYS 16 0.705 -6.564 -2.550
144 H ARG 17 H ARG 17 3.920 -6.530 -1.885
145 HA ARG 17 HA ARG 17 4.999 -8.426 -1.245
146 1HB ARG 17 2HB ARG 17 4.501 -7.267 1.067
147 2HB ARG 17 1HB ARG 17 3.383 -8.609 1.265
148 1HG ARG 17 2HG ARG 17 6.208 -9.148 0.473
149 2HG ARG 17 1HG ARG 17 5.818 -8.788 2.155
150 1HD ARG 17 2HD ARG 17 4.239 -10.850 0.679
151 2HD ARG 17 1HD ARG 17 5.837 -11.257 1.297
152 HE ARG 17 HE ARG 17 5.041 -11.014 3.484
153 1HH1 ARG 17 1HH1 ARG 17 2.533 -10.370 1.133
154 2HH1 ARG 17 2HH1 ARG 17 1.252 -10.501 2.287
155 1HH2 ARG 17 1HH2 ARG 17 3.351 -11.185 4.994
156 2HH2 ARG 17 2HH2 ARG 17 1.713 -10.962 4.475
Start of MODEL 2
1 1H LYS 1 1HT LYS 1 -6.871 -1.022 -2.711
2 2H LYS 1 2HT LYS 1 -7.654 0.472 -2.389
3 3H LYS 1 3HT LYS 1 -7.980 -0.374 -3.847
4 HA LYS 1 HA LYS 1 -9.679 -0.511 -2.049
5 1HB LYS 1 2HB LYS 1 -9.997 -2.959 -2.525
6 2HB LYS 1 1HB LYS 1 -9.738 -1.964 -3.953
7 1HG LYS 1 2HG LYS 1 -7.238 -2.974 -2.923
8 2HG LYS 1 1HG LYS 1 -8.378 -4.283 -3.246
9 1HD LYS 1 2HD LYS 1 -7.936 -2.112 -5.262
10 2HD LYS 1 1HD LYS 1 -6.815 -3.471 -5.146
11 1HE LYS 1 2HE LYS 1 -9.785 -3.622 -5.654
12 2HE LYS 1 1HE LYS 1 -8.503 -3.920 -6.828
13 1HZ LYS 1 1HZ LYS 1 -9.274 -5.563 -4.495
14 2HZ LYS 1 2HZ LYS 1 -7.755 -5.728 -5.221
15 3HZ LYS 1 3HZ LYS 1 -9.157 -6.024 -6.119
16 H TRP 2 H TRP 2 -7.546 0.049 -0.377
17 HA TRP 2 HA TRP 2 -6.796 -0.353 1.725
18 1HB TRP 2 2HB TRP 2 -9.373 -1.229 1.751
19 2HB TRP 2 1HB TRP 2 -8.521 -2.690 2.242
20 HD1 TRP 2 HD TRP 2 -6.251 -0.598 3.748
21 HE1 TRP 2 1HE TRP 2 -6.884 0.145 6.128
22 HE3 TRP 2 3HE TRP 2 -11.255 -1.647 3.624
23 HZ2 TRP 2 2HZ TRP 2 -9.196 0.270 7.742
24 HZ3 TRP 2 3HZ TRP 2 -12.604 -1.185 5.630
25 HH2 TRP 2 HH TRP 2 -11.595 -0.246 7.645
26 H CYS 3 H CYS 3 -5.979 -2.098 -0.725
27 HA CYS 3 HA CYS 3 -5.220 -4.639 0.042
28 1HB CYS 3 2HB CYS 3 -4.674 -2.938 -2.107
29 2HB CYS 3 1HB CYS 3 -3.090 -3.315 -1.439
30 H PHE 4 H PHE 4 -3.918 -1.562 0.946
31 HA PHE 4 HA PHE 4 -2.635 -2.460 3.243
32 1HB PHE 4 2HB PHE 4 -1.083 -3.311 1.320
33 2HB PHE 4 1HB PHE 4 -0.608 -1.624 1.191
34 HD1 PHE 4 1HD PHE 4 -1.303 -1.947 4.533
35 HD2 PHE 4 2HD PHE 4 1.543 -3.261 1.650
36 HE1 PHE 4 1HE PHE 4 0.348 -2.283 6.320
37 HE2 PHE 4 2HE PHE 4 3.198 -3.600 3.437
38 HZ PHE 4 HZ PHE 4 2.602 -3.112 5.775
39 H ARG 5 H ARG 5 -1.882 -0.185 0.684
40 HA ARG 5 HA ARG 5 -3.103 2.078 1.260
41 1HB ARG 5 2HB ARG 5 -1.548 3.369 2.793
42 2HB ARG 5 1HB ARG 5 -2.558 2.157 3.569
43 1HG ARG 5 2HG ARG 5 -0.677 0.616 3.638
44 2HG ARG 5 1HG ARG 5 0.330 1.803 2.813
45 1HD ARG 5 2HD ARG 5 -0.535 3.304 4.859
46 2HD ARG 5 1HD ARG 5 -0.591 1.715 5.620
47 HE ARG 5 HE ARG 5 1.760 3.199 4.847
48 1HH1 ARG 5 1HH1 ARG 5 0.461 0.059 5.652
49 2HH1 ARG 5 2HH1 ARG 5 1.996 -0.592 6.120
50 1HH2 ARG 5 1HH2 ARG 5 3.777 2.341 5.464
51 2HH2 ARG 5 2HH2 ARG 5 3.877 0.702 6.014
52 H VAL 6 H VAL 6 -1.843 0.986 -0.893
53 HA VAL 6 HA VAL 6 0.470 2.708 -1.400
54 HB VAL 6 HB VAL 6 0.761 1.209 -3.440
55 1HG1 VAL 6 1HG1 VAL 6 1.346 0.717 -0.633
56 2HG1 VAL 6 2HG1 VAL 6 2.395 0.599 -2.045
57 3HG1 VAL 6 3HG1 VAL 6 1.360 -0.754 -1.602
58 1HG2 VAL 6 1HG2 VAL 6 -1.538 0.269 -3.358
59 2HG2 VAL 6 2HG2 VAL 6 -1.093 -0.589 -1.883
60 3HG2 VAL 6 3HG2 VAL 6 -0.276 -0.963 -3.401
61 H CYS 7 H CYS 7 0.094 4.479 -2.428
62 HA CYS 7 HA CYS 7 -0.504 5.967 -3.989
63 1HB CYS 7 2HB CYS 7 -1.652 3.514 -5.250
64 2HB CYS 7 1HB CYS 7 -2.103 5.096 -5.876
65 H TYR 8 H TYR 8 -1.937 5.297 -1.555
66 HA TYR 8 HA TYR 8 -3.882 7.207 -1.508
67 1HB TYR 8 2HB TYR 8 -5.845 6.356 -2.229
68 2HB TYR 8 1HB TYR 8 -4.877 5.137 -3.041
69 HD1 TYR 8 1HD TYR 8 -4.166 3.146 -1.269
70 HD2 TYR 8 2HD TYR 8 -7.675 5.549 -1.125
71 HE1 TYR 8 1HE TYR 8 -5.312 1.387 0.012
72 HE2 TYR 8 2HE TYR 8 -8.829 3.799 0.157
73 HH TYR 8 HH TYR 8 -8.337 1.914 1.555
74 H ARG 9 H ARG 9 -5.613 6.492 0.378
75 HA ARG 9 HA ARG 9 -5.325 6.636 2.730
76 1HB ARG 9 2HB ARG 9 -5.805 3.905 1.645
77 2HB ARG 9 1HB ARG 9 -5.583 4.076 3.380
78 1HG ARG 9 2HG ARG 9 -7.490 5.917 2.052
79 2HG ARG 9 1HG ARG 9 -7.962 4.227 2.240
80 1HD ARG 9 2HD ARG 9 -8.698 4.929 4.247
81 2HD ARG 9 1HD ARG 9 -7.011 4.728 4.706
82 HE ARG 9 HE ARG 9 -8.427 7.233 4.285
83 1HH1 ARG 9 1HH1 ARG 9 -5.369 5.635 4.839
84 2HH1 ARG 9 2HH1 ARG 9 -4.584 7.069 5.405
85 1HH2 ARG 9 1HH2 ARG 9 -7.391 9.114 5.027
86 2HH2 ARG 9 2HH2 ARG 9 -5.729 9.044 5.511
87 H GLY 10 H GLY 10 -2.760 7.148 2.148
88 1HA GLY 10 2HA GLY 10 -1.125 6.804 4.064
89 2HA GLY 10 1HA GLY 10 -1.220 5.109 3.631
90 H ILE 11 H ILE 11 -1.289 7.265 0.963
91 HA ILE 11 HA ILE 11 0.276 8.000 -0.536
92 HB ILE 11 HB ILE 11 2.469 8.340 -0.033
93 1HG1 ILE 11 2HG1 ILE 11 2.391 5.593 1.022
94 2HG1 ILE 11 1HG1 ILE 11 3.665 6.432 0.154
95 1HG2 ILE 11 1HG2 ILE 11 2.562 9.249 2.061
96 2HG2 ILE 11 2HG2 ILE 11 1.746 7.883 2.819
97 3HG2 ILE 11 3HG2 ILE 11 0.822 9.041 1.865
98 1HD1 ILE 11 1HD1 ILE 11 4.635 5.990 2.192
99 2HD1 ILE 11 2HD1 ILE 11 3.147 6.296 3.087
100 3HD1 ILE 11 3HD1 ILE 11 4.060 7.643 2.407
101 H CYS 12 H CYS 12 2.512 6.800 -1.630
102 HA CYS 12 HA CYS 12 1.525 4.099 -2.260
103 1HB CYS 12 2HB CYS 12 1.305 6.012 -4.068
104 2HB CYS 12 1HB CYS 12 3.000 5.628 -4.347
105 H TYR 13 H TYR 13 2.813 2.492 -2.265
106 HA TYR 13 HA TYR 13 5.670 2.845 -2.565
107 1HB TYR 13 2HB TYR 13 6.189 1.477 -0.529
108 2HB TYR 13 1HB TYR 13 5.563 3.083 -0.185
109 HD1 TYR 13 1HD TYR 13 4.322 -0.420 -0.632
110 HD2 TYR 13 2HD TYR 13 3.939 3.282 1.426
111 HE1 TYR 13 1HE TYR 13 2.607 -1.413 0.822
112 HE2 TYR 13 2HE TYR 13 2.224 2.304 2.886
113 HH TYR 13 HH TYR 13 0.527 -0.249 2.273
114 H ARG 14 H ARG 14 3.422 1.673 -3.949
115 HA ARG 14 HA ARG 14 2.676 -0.290 -4.900
116 1HB ARG 14 2HB ARG 14 5.619 -0.641 -5.413
117 2HB ARG 14 1HB ARG 14 4.273 -1.052 -6.468
118 1HG ARG 14 2HG ARG 14 4.199 0.998 -7.349
119 2HG ARG 14 1HG ARG 14 4.334 1.782 -5.773
120 1HD ARG 14 2HD ARG 14 6.458 2.276 -6.188
121 2HD ARG 14 1HD ARG 14 6.835 0.567 -6.396
122 HE ARG 14 HE ARG 14 6.457 2.528 -8.465
123 1HH1 ARG 14 1HH1 ARG 14 6.387 -0.876 -7.694
124 2HH1 ARG 14 2HH1 ARG 14 6.656 -1.378 -9.328
125 1HH2 ARG 14 1HH2 ARG 14 6.810 1.867 -10.617
126 2HH2 ARG 14 2HH2 ARG 14 6.896 0.179 -10.988
127 H ARG 15 H ARG 15 1.898 -1.640 -3.307
128 HA ARG 15 HA ARG 15 3.031 -4.156 -3.020
129 1HB ARG 15 2HB ARG 15 4.763 -3.149 -1.663
130 2HB ARG 15 1HB ARG 15 3.566 -2.340 -0.662
131 1HG ARG 15 2HG ARG 15 4.445 -4.219 0.533
132 2HG ARG 15 1HG ARG 15 2.769 -4.555 0.101
133 1HD ARG 15 2HD ARG 15 3.414 -6.427 -0.900
134 2HD ARG 15 1HD ARG 15 4.396 -5.485 -2.021
135 HE ARG 15 HE ARG 15 5.978 -5.657 0.153
136 1HH1 ARG 15 1HH1 ARG 15 4.233 -8.056 -1.685
137 2HH1 ARG 15 2HH1 ARG 15 5.367 -9.320 -1.350
138 1HH2 ARG 15 1HH2 ARG 15 7.470 -7.319 0.596
139 2HH2 ARG 15 2HH2 ARG 15 7.206 -8.902 -0.055
140 H CYS 16 H CYS 16 1.796 -5.565 -1.614
141 HA CYS 16 HA CYS 16 -0.593 -4.427 -0.393
142 1HB CYS 16 2HB CYS 16 -1.358 -4.862 -2.648
143 2HB CYS 16 1HB CYS 16 -0.687 -6.489 -2.605
144 H ARG 17 H ARG 17 0.432 -5.105 1.540
145 HA ARG 17 HA ARG 17 0.723 -6.495 3.308
146 1HB ARG 17 2HB ARG 17 -0.971 -7.927 3.640
147 2HB ARG 17 1HB ARG 17 -1.555 -7.414 2.065
148 1HG ARG 17 2HG ARG 17 -0.172 -9.318 1.102
149 2HG ARG 17 1HG ARG 17 -0.001 -9.887 2.763
150 1HD ARG 17 2HD ARG 17 -2.734 -9.231 1.822
151 2HD ARG 17 1HD ARG 17 -1.980 -10.681 1.161
152 HE ARG 17 HE ARG 17 -3.065 -10.381 3.752
153 1HH1 ARG 17 1HH1 ARG 17 -0.377 -11.844 2.075
154 2HH1 ARG 17 2HH1 ARG 17 -0.184 -13.116 3.235
155 1HH2 ARG 17 1HH2 ARG 17 -2.812 -12.051 5.280
156 2HH2 ARG 17 2HH2 ARG 17 -1.566 -13.234 5.054
Start of MODEL 3
1 1H LYS 1 1HT LYS 1 -3.888 1.088 3.166
2 2H LYS 1 2HT LYS 1 -3.708 1.112 4.874
3 3H LYS 1 3HT LYS 1 -5.253 0.850 4.175
4 HA LYS 1 HA LYS 1 -2.920 -0.919 4.217
5 1HB LYS 1 2HB LYS 1 -5.793 -1.120 5.134
6 2HB LYS 1 1HB LYS 1 -4.644 -2.451 5.183
7 1HG LYS 1 2HG LYS 1 -3.273 -0.514 6.504
8 2HG LYS 1 1HG LYS 1 -4.936 -0.139 6.956
9 1HD LYS 1 2HD LYS 1 -5.270 -2.296 7.874
10 2HD LYS 1 1HD LYS 1 -3.784 -2.913 7.147
11 1HE LYS 1 2HE LYS 1 -3.207 -2.578 9.381
12 2HE LYS 1 1HE LYS 1 -2.592 -1.138 8.569
13 1HZ LYS 1 1HZ LYS 1 -5.236 -1.234 9.906
14 2HZ LYS 1 2HZ LYS 1 -4.404 0.133 9.361
15 3HZ LYS 1 3HZ LYS 1 -3.823 -0.732 10.692
16 H TRP 2 H TRP 2 -6.306 -1.151 3.271
17 HA TRP 2 HA TRP 2 -7.165 -2.669 1.695
18 1HB TRP 2 2HB TRP 2 -5.986 -0.659 -0.193
19 2HB TRP 2 1HB TRP 2 -7.522 -1.486 -0.296
20 HD1 TRP 2 HD TRP 2 -7.901 -0.450 3.029
21 HE1 TRP 2 1HE TRP 2 -8.932 1.887 3.268
22 HE3 TRP 2 3HE TRP 2 -7.102 1.274 -1.714
23 HZ2 TRP 2 2HZ TRP 2 -9.360 4.165 1.662
24 HZ3 TRP 2 3HZ TRP 2 -7.859 3.545 -2.283
25 HH2 TRP 2 HH TRP 2 -8.965 4.959 -0.629
26 H CYS 3 H CYS 3 -4.820 -3.853 2.396
27 HA CYS 3 HA CYS 3 -3.750 -5.725 1.529
28 1HB CYS 3 2HB CYS 3 -5.115 -5.204 -0.666
29 2HB CYS 3 1HB CYS 3 -3.560 -4.600 -1.227
30 H PHE 4 H PHE 4 -2.588 -3.015 -0.530
31 HA PHE 4 HA PHE 4 0.032 -3.422 0.752
32 1HB PHE 4 2HB PHE 4 0.751 -2.350 -1.611
33 2HB PHE 4 1HB PHE 4 0.619 -4.074 -1.326
34 HD1 PHE 4 1HD PHE 4 -0.214 -5.134 -3.171
35 HD2 PHE 4 2HD PHE 4 -1.889 -1.400 -2.016
36 HE1 PHE 4 1HE PHE 4 -1.858 -5.314 -4.992
37 HE2 PHE 4 2HE PHE 4 -3.537 -1.569 -3.834
38 HZ PHE 4 HZ PHE 4 -3.523 -3.529 -5.326
39 H ARG 5 H ARG 5 -2.330 -1.034 -0.012
40 HA ARG 5 HA ARG 5 -2.417 1.196 0.554
41 1HB ARG 5 2HB ARG 5 0.317 1.023 1.772
42 2HB ARG 5 1HB ARG 5 -1.026 2.057 2.230
43 1HG ARG 5 2HG ARG 5 -1.740 0.585 3.718
44 2HG ARG 5 1HG ARG 5 -1.730 -0.716 2.528
45 1HD ARG 5 2HD ARG 5 -0.258 -1.294 4.344
46 2HD ARG 5 1HD ARG 5 0.701 -0.982 2.897
47 HE ARG 5 HE ARG 5 0.469 1.366 4.463
48 1HH1 ARG 5 1HH1 ARG 5 2.099 -1.719 4.370
49 2HH1 ARG 5 2HH1 ARG 5 3.466 -1.167 5.278
50 1HH2 ARG 5 1HH2 ARG 5 2.266 2.094 5.661
51 2HH2 ARG 5 2HH2 ARG 5 3.560 0.998 6.012
52 H VAL 6 H VAL 6 -1.506 0.419 -1.973
53 HA VAL 6 HA VAL 6 0.823 2.045 -2.559
54 HB VAL 6 HB VAL 6 0.599 1.205 -4.873
55 1HG1 VAL 6 1HG1 VAL 6 0.696 -0.813 -2.639
56 2HG1 VAL 6 2HG1 VAL 6 2.049 0.060 -3.353
57 3HG1 VAL 6 3HG1 VAL 6 1.181 -1.152 -4.301
58 1HG2 VAL 6 1HG2 VAL 6 -0.975 -0.894 -4.969
59 2HG2 VAL 6 2HG2 VAL 6 -1.603 0.719 -5.307
60 3HG2 VAL 6 3HG2 VAL 6 -1.868 -0.016 -3.729
61 H CYS 7 H CYS 7 0.176 4.106 -2.289
62 HA CYS 7 HA CYS 7 -0.398 6.151 -3.037
63 1HB CYS 7 2HB CYS 7 -0.833 4.514 -5.415
64 2HB CYS 7 1HB CYS 7 -1.886 5.924 -5.349
65 H TYR 8 H TYR 8 -1.741 5.349 -1.098
66 HA TYR 8 HA TYR 8 -4.098 6.752 -1.049
67 1HB TYR 8 2HB TYR 8 -5.838 5.052 -1.001
68 2HB TYR 8 1HB TYR 8 -4.997 4.978 -2.545
69 HD1 TYR 8 1HD TYR 8 -5.318 3.347 0.755
70 HD2 TYR 8 2HD TYR 8 -3.908 3.002 -3.242
71 HE1 TYR 8 1HE TYR 8 -4.892 0.957 1.125
72 HE2 TYR 8 2HE TYR 8 -3.482 0.607 -2.891
73 HH TYR 8 HH TYR 8 -4.328 -1.214 -1.368
74 H ARG 9 H ARG 9 -5.400 6.129 1.004
75 HA ARG 9 HA ARG 9 -5.273 6.120 3.264
76 1HB ARG 9 2HB ARG 9 -5.716 3.836 3.204
77 2HB ARG 9 1HB ARG 9 -4.237 3.475 2.335
78 1HG ARG 9 2HG ARG 9 -4.012 4.411 5.143
79 2HG ARG 9 1HG ARG 9 -4.588 2.774 4.834
80 1HD ARG 9 2HD ARG 9 -2.589 2.402 3.404
81 2HD ARG 9 1HD ARG 9 -1.993 3.982 3.888
82 HE ARG 9 HE ARG 9 -1.836 1.569 5.385
83 1HH1 ARG 9 1HH1 ARG 9 -2.221 5.019 5.746
84 2HH1 ARG 9 2HH1 ARG 9 -1.537 5.053 7.335
85 1HH2 ARG 9 1HH2 ARG 9 -0.938 1.614 7.472
86 2HH2 ARG 9 2HH2 ARG 9 -0.808 3.122 8.315
87 H GLY 10 H GLY 10 -2.992 7.310 1.754
88 1HA GLY 10 2HA GLY 10 -1.534 8.547 3.549
89 2HA GLY 10 1HA GLY 10 -0.798 6.960 3.662
90 H ILE 11 H ILE 11 -0.212 6.072 1.285
91 HA ILE 11 HA ILE 11 0.577 8.037 -0.632
92 HB ILE 11 HB ILE 11 3.123 7.405 -0.249
93 1HG1 ILE 11 2HG1 ILE 11 3.561 7.592 2.268
94 2HG1 ILE 11 1HG1 ILE 11 1.873 7.153 2.491
95 1HG2 ILE 11 1HG2 ILE 11 2.250 9.518 1.607
96 2HG2 ILE 11 2HG2 ILE 11 1.667 9.652 -0.053
97 3HG2 ILE 11 3HG2 ILE 11 3.399 9.579 0.270
98 1HD1 ILE 11 1HD1 ILE 11 2.211 4.995 1.858
99 2HD1 ILE 11 2HD1 ILE 11 3.802 5.352 2.534
100 3HD1 ILE 11 3HD1 ILE 11 3.551 5.398 0.785
101 H CYS 12 H CYS 12 2.360 7.058 -2.171
102 HA CYS 12 HA CYS 12 1.325 4.623 -3.189
103 1HB CYS 12 2HB CYS 12 3.133 6.627 -4.103
104 2HB CYS 12 1HB CYS 12 3.899 5.047 -4.290
105 H TYR 13 H TYR 13 1.511 3.348 -1.239
106 HA TYR 13 HA TYR 13 4.227 2.409 -0.676
107 1HB TYR 13 2HB TYR 13 2.628 3.268 1.144
108 2HB TYR 13 1HB TYR 13 1.791 1.736 0.933
109 HD1 TYR 13 1HD TYR 13 4.016 3.306 2.945
110 HD2 TYR 13 2HD TYR 13 3.625 -0.304 0.719
111 HE1 TYR 13 1HE TYR 13 5.637 2.241 4.433
112 HE2 TYR 13 2HE TYR 13 5.260 -1.397 2.220
113 HH TYR 13 HH TYR 13 6.277 -0.002 5.166
114 H ARG 14 H ARG 14 4.854 0.592 -1.579
115 HA ARG 14 HA ARG 14 2.856 -1.361 -2.457
116 1HB ARG 14 2HB ARG 14 5.783 -1.405 -3.138
117 2HB ARG 14 1HB ARG 14 4.452 -2.162 -4.000
118 1HG ARG 14 2HG ARG 14 4.194 0.745 -3.821
119 2HG ARG 14 1HG ARG 14 5.656 0.217 -4.656
120 1HD ARG 14 2HD ARG 14 2.846 -0.669 -5.302
121 2HD ARG 14 1HD ARG 14 3.777 0.527 -6.199
122 HE ARG 14 HE ARG 14 5.171 -1.190 -7.006
123 1HH1 ARG 14 1HH1 ARG 14 2.588 -2.428 -4.998
124 2HH1 ARG 14 2HH1 ARG 14 2.742 -4.045 -5.591
125 1HH2 ARG 14 1HH2 ARG 14 5.366 -3.320 -7.776
126 2HH2 ARG 14 2HH2 ARG 14 4.315 -4.552 -7.162
127 H ARG 15 H ARG 15 2.566 -3.212 -1.421
128 HA ARG 15 HA ARG 15 4.740 -4.452 0.048
129 1HB ARG 15 2HB ARG 15 2.690 -2.931 1.354
130 2HB ARG 15 1HB ARG 15 2.543 -4.623 1.810
131 1HG ARG 15 2HG ARG 15 5.276 -3.558 1.874
132 2HG ARG 15 1HG ARG 15 4.160 -2.834 3.033
133 1HD ARG 15 2HD ARG 15 3.562 -5.456 3.329
134 2HD ARG 15 1HD ARG 15 5.274 -5.558 2.916
135 HE ARG 15 HE ARG 15 5.785 -4.680 4.964
136 1HH1 ARG 15 1HH1 ARG 15 2.407 -4.095 4.305
137 2HH1 ARG 15 2HH1 ARG 15 2.073 -3.495 5.895
138 1HH2 ARG 15 1HH2 ARG 15 5.346 -3.889 7.054
139 2HH2 ARG 15 2HH2 ARG 15 3.740 -3.377 7.455
140 H CYS 16 H CYS 16 1.264 -4.886 0.288
141 HA CYS 16 HA CYS 16 0.839 -7.463 0.406
142 1HB CYS 16 2HB CYS 16 -0.673 -5.352 -0.591
143 2HB CYS 16 1HB CYS 16 -0.736 -6.563 -1.864
144 H ARG 17 H ARG 17 1.088 -9.347 -0.674
145 HA ARG 17 HA ARG 17 2.140 -9.236 -3.418
146 1HB ARG 17 2HB ARG 17 3.253 -10.703 -1.047
147 2HB ARG 17 1HB ARG 17 3.523 -11.306 -2.675
148 1HG ARG 17 2HG ARG 17 4.271 -8.550 -1.728
149 2HG ARG 17 1HG ARG 17 5.377 -9.923 -1.818
150 1HD ARG 17 2HD ARG 17 5.819 -9.277 -3.904
151 2HD ARG 17 1HD ARG 17 4.204 -9.846 -4.325
152 HE ARG 17 HE ARG 17 3.560 -7.674 -4.591
153 1HH1 ARG 17 1HH1 ARG 17 6.495 -7.733 -2.700
154 2HH1 ARG 17 2HH1 ARG 17 6.672 -6.010 -2.695
155 1HH2 ARG 17 1HH2 ARG 17 3.794 -5.411 -4.584
156 2HH2 ARG 17 2HH2 ARG 17 5.139 -4.691 -3.763
Start of MODEL 4
1 1H LYS 1 1HT LYS 1 -10.999 1.293 4.392
2 2H LYS 1 2HT LYS 1 -11.223 2.340 3.049
3 3H LYS 1 3HT LYS 1 -10.611 2.958 4.527
4 HA LYS 1 HA LYS 1 -8.899 2.701 2.882
5 1HB LYS 1 2HB LYS 1 -7.385 1.380 4.344
6 2HB LYS 1 1HB LYS 1 -8.344 2.553 5.235
7 1HG LYS 1 2HG LYS 1 -9.636 0.936 6.244
8 2HG LYS 1 1HG LYS 1 -9.311 -0.259 4.983
9 1HD LYS 1 2HD LYS 1 -7.307 0.745 7.006
10 2HD LYS 1 1HD LYS 1 -8.163 -0.797 7.092
11 1HE LYS 1 2HE LYS 1 -6.946 -0.559 4.522
12 2HE LYS 1 1HE LYS 1 -5.739 -0.199 5.754
13 1HZ LYS 1 1HZ LYS 1 -6.571 -2.317 6.868
14 2HZ LYS 1 2HZ LYS 1 -5.625 -2.491 5.475
15 3HZ LYS 1 3HZ LYS 1 -7.304 -2.677 5.386
16 H TRP 2 H TRP 2 -7.907 1.504 1.327
17 HA TRP 2 HA TRP 2 -8.398 -1.345 1.109
18 1HB TRP 2 2HB TRP 2 -8.989 0.091 -1.412
19 2HB TRP 2 1HB TRP 2 -9.699 -1.381 -0.762
20 HD1 TRP 2 HD TRP 2 -9.849 2.423 0.011
21 HE1 TRP 2 1HE TRP 2 -12.267 2.993 0.694
22 HE3 TRP 2 3HE TRP 2 -11.880 -2.265 -0.195
23 HZ2 TRP 2 2HZ TRP 2 -14.709 1.636 1.093
24 HZ3 TRP 2 3HZ TRP 2 -14.263 -2.543 0.353
25 HH2 TRP 2 HH TRP 2 -15.646 -0.633 0.984
26 H CYS 3 H CYS 3 -7.522 -1.779 -1.451
27 HA CYS 3 HA CYS 3 -5.535 -2.200 -2.508
28 1HB CYS 3 2HB CYS 3 -6.237 0.485 -2.786
29 2HB CYS 3 1HB CYS 3 -4.523 0.526 -2.395
30 H PHE 4 H PHE 4 -5.388 -2.611 0.285
31 HA PHE 4 HA PHE 4 -3.905 -2.931 1.972
32 1HB PHE 4 2HB PHE 4 -1.944 -2.675 -0.318
33 2HB PHE 4 1HB PHE 4 -1.519 -3.245 1.293
34 HD1 PHE 4 1HD PHE 4 -2.318 -4.260 -1.911
35 HD2 PHE 4 2HD PHE 4 -3.154 -5.197 2.157
36 HE1 PHE 4 1HE PHE 4 -2.945 -6.548 -2.570
37 HE2 PHE 4 2HE PHE 4 -3.781 -7.485 1.504
38 HZ PHE 4 HZ PHE 4 -3.678 -8.162 -0.861
39 H ARG 5 H ARG 5 -1.320 -1.093 0.577
40 HA ARG 5 HA ARG 5 -2.100 1.342 1.962
41 1HB ARG 5 2HB ARG 5 0.664 0.369 2.512
42 2HB ARG 5 1HB ARG 5 -0.357 1.430 3.472
43 1HG ARG 5 2HG ARG 5 -0.419 -0.414 4.783
44 2HG ARG 5 1HG ARG 5 -1.782 -0.783 3.727
45 1HD ARG 5 2HD ARG 5 -0.779 -2.666 3.120
46 2HD ARG 5 1HD ARG 5 0.549 -1.728 2.441
47 HE ARG 5 HE ARG 5 0.493 -3.090 5.005
48 1HH1 ARG 5 1HH1 ARG 5 2.152 -0.827 2.920
49 2HH1 ARG 5 2HH1 ARG 5 3.660 -0.981 3.751
50 1HH2 ARG 5 1HH2 ARG 5 2.481 -3.286 6.094
51 2HH2 ARG 5 2HH2 ARG 5 3.850 -2.375 5.550
52 H VAL 6 H VAL 6 -1.743 0.545 -0.775
53 HA VAL 6 HA VAL 6 0.714 1.781 -1.671
54 HB VAL 6 HB VAL 6 -0.331 1.448 -3.982
55 1HG1 VAL 6 1HG1 VAL 6 -0.026 -1.099 -2.426
56 2HG1 VAL 6 2HG1 VAL 6 1.346 -0.034 -2.752
57 3HG1 VAL 6 3HG1 VAL 6 0.448 -0.754 -4.090
58 1HG2 VAL 6 1HG2 VAL 6 -2.386 0.624 -4.214
59 2HG2 VAL 6 2HG2 VAL 6 -2.614 0.951 -2.497
60 3HG2 VAL 6 3HG2 VAL 6 -2.090 -0.647 -3.029
61 H CYS 7 H CYS 7 0.145 3.213 -3.828
62 HA CYS 7 HA CYS 7 -0.273 5.757 -3.038
63 1HB CYS 7 2HB CYS 7 -1.368 4.906 -5.701
64 2HB CYS 7 1HB CYS 7 -0.515 6.387 -5.280
65 H TYR 8 H TYR 8 -1.851 5.871 -1.470
66 HA TYR 8 HA TYR 8 -4.239 7.010 -2.030
67 1HB TYR 8 2HB TYR 8 -5.021 5.012 -3.168
68 2HB TYR 8 1HB TYR 8 -4.586 4.009 -1.789
69 HD1 TYR 8 1HD TYR 8 -6.854 6.754 -2.850
70 HD2 TYR 8 2HD TYR 8 -6.141 3.605 -0.078
71 HE1 TYR 8 1HE TYR 8 -9.116 7.054 -1.936
72 HE2 TYR 8 2HE TYR 8 -8.401 3.897 0.845
73 HH TYR 8 HH TYR 8 -10.624 4.820 0.018
74 H ARG 9 H ARG 9 -5.705 7.094 -0.137
75 HA ARG 9 HA ARG 9 -5.242 7.955 2.110
76 1HB ARG 9 2HB ARG 9 -7.311 6.839 2.002
77 2HB ARG 9 1HB ARG 9 -6.552 5.263 1.856
78 1HG ARG 9 2HG ARG 9 -5.833 6.565 4.339
79 2HG ARG 9 1HG ARG 9 -7.581 6.408 4.156
80 1HD ARG 9 2HD ARG 9 -7.526 4.178 4.384
81 2HD ARG 9 1HD ARG 9 -6.087 4.021 3.380
82 HE ARG 9 HE ARG 9 -5.966 4.844 6.209
83 1HH1 ARG 9 1HH1 ARG 9 -4.809 2.883 3.550
84 2HH1 ARG 9 2HH1 ARG 9 -3.523 2.185 4.473
85 1HH2 ARG 9 1HH2 ARG 9 -4.278 3.915 7.410
86 2HH2 ARG 9 2HH2 ARG 9 -3.223 2.765 6.657
87 H GLY 10 H GLY 10 -2.861 7.915 2.245
88 1HA GLY 10 2HA GLY 10 -1.711 7.043 4.423
89 2HA GLY 10 1HA GLY 10 -1.764 5.524 3.544
90 H ILE 11 H ILE 11 -0.665 5.476 1.421
91 HA ILE 11 HA ILE 11 1.309 7.512 0.875
92 HB ILE 11 HB ILE 11 3.231 5.901 1.008
93 1HG1 ILE 11 2HG1 ILE 11 2.340 4.182 3.038
94 2HG1 ILE 11 1HG1 ILE 11 1.080 4.131 1.808
95 1HG2 ILE 11 1HG2 ILE 11 2.642 7.674 2.722
96 2HG2 ILE 11 2HG2 ILE 11 3.697 6.368 3.264
97 3HG2 ILE 11 3HG2 ILE 11 1.988 6.360 3.701
98 1HD1 ILE 11 1HD1 ILE 11 4.006 3.631 1.317
99 2HD1 ILE 11 2HD1 ILE 11 2.706 3.502 0.131
100 3HD1 ILE 11 3HD1 ILE 11 2.767 2.388 1.498
101 H CYS 12 H CYS 12 2.995 6.247 -0.824
102 HA CYS 12 HA CYS 12 1.294 4.743 -2.671
103 1HB CYS 12 2HB CYS 12 1.173 6.965 -3.530
104 2HB CYS 12 1HB CYS 12 2.901 7.205 -3.322
105 H TYR 13 H TYR 13 2.443 2.874 -2.012
106 HA TYR 13 HA TYR 13 5.238 2.807 -2.841
107 1HB TYR 13 2HB TYR 13 5.576 0.941 -1.459
108 2HB TYR 13 1HB TYR 13 4.463 1.939 -0.536
109 HD1 TYR 13 1HD TYR 13 4.753 -1.105 -2.602
110 HD2 TYR 13 2HD TYR 13 2.271 1.170 -0.002
111 HE1 TYR 13 1HE TYR 13 3.213 -3.013 -2.412
112 HE2 TYR 13 2HE TYR 13 0.724 -0.731 0.196
113 HH TYR 13 HH TYR 13 0.885 -3.272 -0.062
114 H ARG 14 H ARG 14 2.634 2.674 -4.362
115 HA ARG 14 HA ARG 14 1.662 1.577 -6.115
116 1HB ARG 14 2HB ARG 14 4.532 1.188 -6.941
117 2HB ARG 14 1HB ARG 14 3.131 1.412 -7.982
118 1HG ARG 14 2HG ARG 14 3.097 3.662 -7.695
119 2HG ARG 14 1HG ARG 14 3.717 3.579 -6.045
120 1HD ARG 14 2HD ARG 14 5.257 3.330 -8.622
121 2HD ARG 14 1HD ARG 14 5.410 4.576 -7.385
122 HE ARG 14 HE ARG 14 6.632 1.981 -7.388
123 1HH1 ARG 14 1HH1 ARG 14 5.506 4.592 -5.365
124 2HH1 ARG 14 2HH1 ARG 14 6.559 4.195 -4.051
125 1HH2 ARG 14 1HH2 ARG 14 8.019 1.456 -5.661
126 2HH2 ARG 14 2HH2 ARG 14 7.986 2.414 -4.218
127 H ARG 15 H ARG 15 1.982 -0.413 -7.697
128 HA ARG 15 HA ARG 15 1.935 -2.665 -7.990
129 1HB ARG 15 2HB ARG 15 3.618 -2.925 -5.502
130 2HB ARG 15 1HB ARG 15 3.485 -4.062 -6.836
131 1HG ARG 15 2HG ARG 15 4.784 -1.348 -6.897
132 2HG ARG 15 1HG ARG 15 5.588 -2.916 -6.970
133 1HD ARG 15 2HD ARG 15 3.799 -3.077 -9.036
134 2HD ARG 15 1HD ARG 15 4.266 -1.377 -9.076
135 HE ARG 15 HE ARG 15 5.830 -3.559 -9.931
136 1HH1 ARG 15 1HH1 ARG 15 6.107 -0.537 -8.209
137 2HH1 ARG 15 2HH1 ARG 15 7.770 -0.303 -8.634
138 1HH2 ARG 15 1HH2 ARG 15 8.017 -3.254 -10.492
139 2HH2 ARG 15 2HH2 ARG 15 8.854 -1.846 -9.930
140 H CYS 16 H CYS 16 -0.316 -1.859 -7.090
141 HA CYS 16 HA CYS 16 -0.999 -2.991 -4.526
142 1HB CYS 16 2HB CYS 16 -2.043 -0.889 -5.442
143 2HB CYS 16 1HB CYS 16 -2.888 -1.897 -6.614
144 H ARG 17 H ARG 17 -1.911 -4.927 -4.141
145 HA ARG 17 HA ARG 17 -2.650 -7.052 -4.477
146 1HB ARG 17 2HB ARG 17 -3.941 -5.563 -6.732
147 2HB ARG 17 1HB ARG 17 -4.077 -7.314 -6.664
148 1HG ARG 17 2HG ARG 17 -5.888 -6.934 -5.420
149 2HG ARG 17 1HG ARG 17 -4.745 -6.606 -4.118
150 1HD ARG 17 2HD ARG 17 -5.199 -4.410 -4.115
151 2HD ARG 17 1HD ARG 17 -5.235 -4.319 -5.875
152 HE ARG 17 HE ARG 17 -7.530 -5.617 -4.725
153 1HH1 ARG 17 1HH1 ARG 17 -6.134 -2.560 -5.665
154 2HH1 ARG 17 2HH1 ARG 17 -7.665 -1.772 -5.840
155 1HH2 ARG 17 1HH2 ARG 17 -9.545 -4.585 -4.958
156 2HH2 ARG 17 2HH2 ARG 17 -9.604 -2.922 -5.438
Start of MODEL 5
1 1H LYS 1 1HT LYS 1 -2.086 2.696 7.525
2 2H LYS 1 2HT LYS 1 -3.560 2.494 6.672
3 3H LYS 1 3HT LYS 1 -2.297 1.349 6.487
4 HA LYS 1 HA LYS 1 -2.565 1.189 9.055
5 1HB LYS 1 2HB LYS 1 -4.931 1.373 9.664
6 2HB LYS 1 1HB LYS 1 -4.301 2.921 9.122
7 1HG LYS 1 2HG LYS 1 -5.503 1.323 6.992
8 2HG LYS 1 1HG LYS 1 -6.624 1.776 8.277
9 1HD LYS 1 2HD LYS 1 -5.322 4.120 7.886
10 2HD LYS 1 1HD LYS 1 -5.276 3.443 6.257
11 1HE LYS 1 2HE LYS 1 -7.873 3.199 7.589
12 2HE LYS 1 1HE LYS 1 -7.354 4.863 7.321
13 1HZ LYS 1 1HZ LYS 1 -8.658 3.520 5.499
14 2HZ LYS 1 2HZ LYS 1 -7.107 2.976 5.098
15 3HZ LYS 1 3HZ LYS 1 -7.453 4.631 5.076
16 H TRP 2 H TRP 2 -3.985 0.384 5.966
17 HA TRP 2 HA TRP 2 -4.671 -2.306 6.887
18 1HB TRP 2 2HB TRP 2 -5.011 -1.225 4.094
19 2HB TRP 2 1HB TRP 2 -5.855 -2.576 4.844
20 HD1 TRP 2 HD TRP 2 -6.984 0.366 3.586
21 HE1 TRP 2 1HE TRP 2 -8.747 1.579 5.015
22 HE3 TRP 2 3HE TRP 2 -6.132 -1.950 8.065
23 HZ2 TRP 2 2HZ TRP 2 -9.657 1.556 7.686
24 HZ3 TRP 2 3HZ TRP 2 -7.490 -1.296 10.006
25 HH2 TRP 2 HH TRP 2 -9.216 0.421 9.820
26 H CYS 3 H CYS 3 -4.278 -3.682 4.463
27 HA CYS 3 HA CYS 3 -2.081 -5.082 4.588
28 1HB CYS 3 2HB CYS 3 -3.853 -4.769 2.619
29 2HB CYS 3 1HB CYS 3 -2.481 -3.976 1.855
30 H PHE 4 H PHE 4 -1.992 -1.962 2.877
31 HA PHE 4 HA PHE 4 0.441 -1.119 3.918
32 1HB PHE 4 2HB PHE 4 0.786 -3.157 1.992
33 2HB PHE 4 1HB PHE 4 1.268 -1.653 1.216
34 HD1 PHE 4 1HD PHE 4 1.614 -2.458 4.815
35 HD2 PHE 4 2HD PHE 4 3.579 -1.984 1.069
36 HE1 PHE 4 1HE PHE 4 3.792 -2.572 5.950
37 HE2 PHE 4 2HE PHE 4 5.763 -2.098 2.201
38 HZ PHE 4 HZ PHE 4 5.871 -2.392 4.642
39 H ARG 5 H ARG 5 -1.795 -1.128 1.265
40 HA ARG 5 HA ARG 5 -2.715 0.540 0.026
41 1HB ARG 5 2HB ARG 5 -1.482 2.556 1.875
42 2HB ARG 5 1HB ARG 5 -3.014 2.640 1.018
43 1HG ARG 5 2HG ARG 5 -4.094 1.277 2.536
44 2HG ARG 5 1HG ARG 5 -2.594 0.548 3.106
45 1HD ARG 5 2HD ARG 5 -3.754 3.228 3.759
46 2HD ARG 5 1HD ARG 5 -3.249 1.946 4.853
47 HE ARG 5 HE ARG 5 -1.634 4.046 3.827
48 1HH1 ARG 5 1HH1 ARG 5 -1.532 0.687 4.772
49 2HH1 ARG 5 2HH1 ARG 5 0.153 0.720 5.167
50 1HH2 ARG 5 1HH2 ARG 5 0.584 4.090 4.343
51 2HH2 ARG 5 2HH2 ARG 5 1.353 2.652 4.925
52 H VAL 6 H VAL 6 -1.913 0.922 -1.912
53 HA VAL 6 HA VAL 6 0.732 2.205 -2.101
54 HB VAL 6 HB VAL 6 0.791 1.098 -4.423
55 1HG1 VAL 6 1HG1 VAL 6 2.349 -0.122 -3.420
56 2HG1 VAL 6 2HG1 VAL 6 1.119 -1.176 -2.727
57 3HG1 VAL 6 3HG1 VAL 6 1.641 0.265 -1.852
58 1HG2 VAL 6 1HG2 VAL 6 -0.430 -1.068 -4.517
59 2HG2 VAL 6 2HG2 VAL 6 -1.490 0.341 -4.557
60 3HG2 VAL 6 3HG2 VAL 6 -1.313 -0.589 -3.068
61 H CYS 7 H CYS 7 -0.163 4.244 -2.108
62 HA CYS 7 HA CYS 7 -0.503 6.162 -3.344
63 1HB CYS 7 2HB CYS 7 -1.835 4.415 -5.428
64 2HB CYS 7 1HB CYS 7 -1.527 6.141 -5.566
65 H TYR 8 H TYR 8 -1.922 5.299 -1.224
66 HA TYR 8 HA TYR 8 -4.235 6.857 -1.317
67 1HB TYR 8 2HB TYR 8 -4.977 4.859 -2.730
68 2HB TYR 8 1HB TYR 8 -4.915 3.917 -1.246
69 HD1 TYR 8 1HD TYR 8 -6.129 7.395 -1.852
70 HD2 TYR 8 2HD TYR 8 -7.115 3.418 -0.701
71 HE1 TYR 8 1HE TYR 8 -8.414 8.125 -1.305
72 HE2 TYR 8 2HE TYR 8 -9.401 4.138 -0.151
73 HH TYR 8 HH TYR 8 -10.622 6.133 0.408
74 H ARG 9 H ARG 9 -5.574 6.591 0.677
75 HA ARG 9 HA ARG 9 -5.406 6.894 2.969
76 1HB ARG 9 2HB ARG 9 -5.191 4.392 3.940
77 2HB ARG 9 1HB ARG 9 -6.653 5.013 3.188
78 1HG ARG 9 2HG ARG 9 -5.785 4.061 1.013
79 2HG ARG 9 1HG ARG 9 -4.565 3.231 1.976
80 1HD ARG 9 2HD ARG 9 -6.421 2.229 3.313
81 2HD ARG 9 1HD ARG 9 -7.557 2.936 2.164
82 HE ARG 9 HE ARG 9 -5.502 1.280 0.985
83 1HH1 ARG 9 1HH1 ARG 9 -8.729 1.381 2.318
84 2HH1 ARG 9 2HH1 ARG 9 -9.246 -0.054 1.496
85 1HH2 ARG 9 1HH2 ARG 9 -6.184 -0.601 -0.097
86 2HH2 ARG 9 2HH2 ARG 9 -7.802 -1.178 0.126
87 H GLY 10 H GLY 10 -2.848 7.426 1.898
88 1HA GLY 10 2HA GLY 10 -1.227 7.614 4.032
89 2HA GLY 10 1HA GLY 10 -0.930 5.965 3.514
90 H ILE 11 H ILE 11 -0.405 5.776 1.087
91 HA ILE 11 HA ILE 11 0.661 7.896 -0.392
92 HB ILE 11 HB ILE 11 3.167 7.017 -0.008
93 1HG1 ILE 11 2HG1 ILE 11 2.461 7.242 2.848
94 2HG1 ILE 11 1HG1 ILE 11 1.942 5.748 2.074
95 1HG2 ILE 11 1HG2 ILE 11 3.554 9.140 0.574
96 2HG2 ILE 11 2HG2 ILE 11 2.476 9.059 1.967
97 3HG2 ILE 11 3HG2 ILE 11 1.817 9.355 0.358
98 1HD1 ILE 11 1HD1 ILE 11 4.657 6.726 2.690
99 2HD1 ILE 11 2HD1 ILE 11 4.451 5.814 1.194
100 3HD1 ILE 11 3HD1 ILE 11 3.994 5.091 2.738
101 H CYS 12 H CYS 12 2.574 6.945 -1.912
102 HA CYS 12 HA CYS 12 1.377 4.631 -3.155
103 1HB CYS 12 2HB CYS 12 3.558 6.521 -3.941
104 2HB CYS 12 1HB CYS 12 3.390 4.975 -4.775
105 H TYR 13 H TYR 13 1.971 3.390 -1.081
106 HA TYR 13 HA TYR 13 4.656 2.614 -0.674
107 1HB TYR 13 2HB TYR 13 2.321 2.207 0.684
108 2HB TYR 13 1HB TYR 13 2.615 0.609 0.006
109 HD1 TYR 13 1HD TYR 13 5.485 0.306 0.109
110 HD2 TYR 13 2HD TYR 13 2.896 2.159 2.924
111 HE1 TYR 13 1HE TYR 13 7.107 -0.169 1.882
112 HE2 TYR 13 2HE TYR 13 4.519 1.706 4.718
113 HH TYR 13 HH TYR 13 7.204 -0.387 4.281
114 H ARG 14 H ARG 14 4.235 -0.266 -0.708
115 HA ARG 14 HA ARG 14 3.527 -1.506 -2.994
116 1HB ARG 14 2HB ARG 14 5.975 0.135 -3.409
117 2HB ARG 14 1HB ARG 14 6.015 -1.499 -4.050
118 1HG ARG 14 2HG ARG 14 3.577 -0.552 -4.914
119 2HG ARG 14 1HG ARG 14 4.625 0.867 -5.033
120 1HD ARG 14 2HD ARG 14 5.961 -0.085 -6.622
121 2HD ARG 14 1HD ARG 14 5.662 -1.727 -6.053
122 HE ARG 14 HE ARG 14 4.094 -0.225 -7.966
123 1HH1 ARG 14 1HH1 ARG 14 4.212 -2.984 -5.827
124 2HH1 ARG 14 2HH1 ARG 14 2.976 -3.848 -6.678
125 1HH2 ARG 14 1HH2 ARG 14 2.469 -1.365 -9.079
126 2HH2 ARG 14 2HH2 ARG 14 1.988 -2.931 -8.520
127 H ARG 15 H ARG 15 3.494 -3.419 -2.018
128 HA ARG 15 HA ARG 15 4.663 -5.468 -1.591
129 1HB ARG 15 2HB ARG 15 6.683 -3.662 -0.245
130 2HB ARG 15 1HB ARG 15 6.690 -5.414 -0.115
131 1HG ARG 15 2HG ARG 15 7.144 -3.761 -2.586
132 2HG ARG 15 1HG ARG 15 8.272 -4.849 -1.778
133 1HD ARG 15 2HD ARG 15 7.561 -6.120 -3.577
134 2HD ARG 15 1HD ARG 15 6.492 -6.666 -2.285
135 HE ARG 15 HE ARG 15 5.421 -4.497 -3.843
136 1HH1 ARG 15 1HH1 ARG 15 5.758 -7.963 -3.616
137 2HH1 ARG 15 2HH1 ARG 15 4.353 -8.288 -4.576
138 1HH2 ARG 15 1HH2 ARG 15 3.571 -4.922 -5.102
139 2HH2 ARG 15 2HH2 ARG 15 3.113 -6.561 -5.420
140 H CYS 16 H CYS 16 2.578 -5.542 -0.502
141 HA CYS 16 HA CYS 16 2.303 -4.621 2.170
142 1HB CYS 16 2HB CYS 16 0.306 -4.939 0.872
143 2HB CYS 16 1HB CYS 16 0.711 -6.623 0.568
144 H ARG 17 H ARG 17 1.944 -7.986 1.247
145 HA ARG 17 HA ARG 17 4.037 -8.810 3.087
146 1HB ARG 17 2HB ARG 17 1.151 -9.085 3.638
147 2HB ARG 17 1HB ARG 17 2.097 -10.545 3.883
148 1HG ARG 17 2HG ARG 17 3.647 -9.139 5.307
149 2HG ARG 17 1HG ARG 17 2.409 -7.884 5.236
150 1HD ARG 17 2HD ARG 17 1.289 -10.467 5.926
151 2HD ARG 17 1HD ARG 17 2.555 -9.980 7.055
152 HE ARG 17 HE ARG 17 0.669 -7.891 6.509
153 1HH1 ARG 17 1HH1 ARG 17 1.284 -10.722 8.453
154 2HH1 ARG 17 2HH1 ARG 17 0.237 -10.220 9.738
155 1HH2 ARG 17 1HH2 ARG 17 -0.708 -7.229 8.196
156 2HH2 ARG 17 2HH2 ARG 17 -0.895 -8.238 9.591
Start of MODEL 6
1 1H LYS 1 1HT LYS 1 -8.011 -4.062 4.519
2 2H LYS 1 2HT LYS 1 -6.733 -4.113 3.373
3 3H LYS 1 3HT LYS 1 -8.347 -4.426 2.879
4 HA LYS 1 HA LYS 1 -8.863 -2.132 3.696
5 1HB LYS 1 2HB LYS 1 -6.187 -2.350 4.482
6 2HB LYS 1 1HB LYS 1 -6.158 -1.255 3.107
7 1HG LYS 1 2HG LYS 1 -6.371 -0.081 5.252
8 2HG LYS 1 1HG LYS 1 -7.745 0.208 4.184
9 1HD LYS 1 2HD LYS 1 -8.091 -2.091 5.961
10 2HD LYS 1 1HD LYS 1 -7.908 -0.555 6.810
11 1HE LYS 1 2HE LYS 1 -9.720 -0.520 4.489
12 2HE LYS 1 1HE LYS 1 -10.257 -1.497 5.856
13 1HZ LYS 1 1HZ LYS 1 -10.578 0.312 7.131
14 2HZ LYS 1 2HZ LYS 1 -10.709 1.113 5.647
15 3HZ LYS 1 3HZ LYS 1 -9.250 1.151 6.503
16 H TRP 2 H TRP 2 -7.590 -0.239 2.033
17 HA TRP 2 HA TRP 2 -8.808 -0.675 -0.406
18 1HB TRP 2 2HB TRP 2 -6.643 1.170 0.506
19 2HB TRP 2 1HB TRP 2 -7.038 1.091 -1.208
20 HD1 TRP 2 HD TRP 2 -9.325 2.160 -1.992
21 HE1 TRP 2 1HE TRP 2 -11.030 3.698 -0.828
22 HE3 TRP 2 3HE TRP 2 -7.709 1.658 2.831
23 HZ2 TRP 2 2HZ TRP 2 -11.610 4.583 1.789
24 HZ3 TRP 2 3HZ TRP 2 -8.892 2.884 4.606
25 HH2 TRP 2 HH TRP 2 -10.803 4.316 4.093
26 H CYS 3 H CYS 3 -5.320 -0.326 -0.328
27 HA CYS 3 HA CYS 3 -4.965 -2.850 -1.750
28 1HB CYS 3 2HB CYS 3 -5.298 -0.769 -3.321
29 2HB CYS 3 1HB CYS 3 -3.629 -0.428 -2.890
30 H PHE 4 H PHE 4 -4.136 -3.015 0.586
31 HA PHE 4 HA PHE 4 -2.396 -3.264 2.025
32 1HB PHE 4 2HB PHE 4 -1.499 -4.140 -0.355
33 2HB PHE 4 1HB PHE 4 -0.347 -2.838 -0.075
34 HD1 PHE 4 1HD PHE 4 1.090 -2.879 1.938
35 HD2 PHE 4 2HD PHE 4 -1.393 -6.164 0.868
36 HE1 PHE 4 1HE PHE 4 2.391 -4.342 3.429
37 HE2 PHE 4 2HE PHE 4 -0.096 -7.635 2.354
38 HZ PHE 4 HZ PHE 4 1.799 -6.725 3.637
39 H ARG 5 H ARG 5 -3.341 -0.508 1.188
40 HA ARG 5 HA ARG 5 -2.902 1.643 1.743
41 1HB ARG 5 2HB ARG 5 -0.578 0.638 3.372
42 2HB ARG 5 1HB ARG 5 -1.546 2.083 3.638
43 1HG ARG 5 2HG ARG 5 -3.504 0.535 4.045
44 2HG ARG 5 1HG ARG 5 -2.329 -0.782 4.082
45 1HD ARG 5 2HD ARG 5 -2.129 1.663 5.826
46 2HD ARG 5 1HD ARG 5 -2.961 0.192 6.321
47 HE ARG 5 HE ARG 5 -0.121 0.614 6.172
48 1HH1 ARG 5 1HH1 ARG 5 -2.664 -1.775 6.143
49 2HH1 ARG 5 2HH1 ARG 5 -1.638 -3.056 6.695
50 1HH2 ARG 5 1HH2 ARG 5 1.231 -1.068 6.897
51 2HH2 ARG 5 2HH2 ARG 5 0.573 -2.656 7.123
52 H VAL 6 H VAL 6 -1.753 0.691 -0.656
53 HA VAL 6 HA VAL 6 0.953 1.655 -0.815
54 HB VAL 6 HB VAL 6 0.508 1.466 -3.361
55 1HG1 VAL 6 1HG1 VAL 6 0.774 -1.031 -3.216
56 2HG1 VAL 6 2HG1 VAL 6 0.562 -0.871 -1.471
57 3HG1 VAL 6 3HG1 VAL 6 1.923 -0.080 -2.271
58 1HG2 VAL 6 1HG2 VAL 6 -1.525 0.911 -4.053
59 2HG2 VAL 6 2HG2 VAL 6 -2.098 0.903 -2.388
60 3HG2 VAL 6 3HG2 VAL 6 -1.455 -0.574 -3.107
61 H CYS 7 H CYS 7 -1.042 2.748 -3.437
62 HA CYS 7 HA CYS 7 -0.280 5.458 -2.900
63 1HB CYS 7 2HB CYS 7 -1.506 3.981 -5.136
64 2HB CYS 7 1HB CYS 7 -2.037 5.653 -4.969
65 H TYR 8 H TYR 8 -1.619 7.196 -2.441
66 HA TYR 8 HA TYR 8 -3.207 8.218 -1.177
67 1HB TYR 8 2HB TYR 8 -5.507 7.930 -1.907
68 2HB TYR 8 1HB TYR 8 -4.439 7.954 -3.304
69 HD1 TYR 8 1HD TYR 8 -4.194 6.017 -4.712
70 HD2 TYR 8 2HD TYR 8 -6.604 5.853 -1.211
71 HE1 TYR 8 1HE TYR 8 -5.168 3.894 -5.487
72 HE2 TYR 8 2HE TYR 8 -7.579 3.730 -1.971
73 HH TYR 8 HH TYR 8 -7.916 2.480 -4.003
74 H ARG 9 H ARG 9 -5.282 7.712 0.277
75 HA ARG 9 HA ARG 9 -5.657 6.908 2.417
76 1HB ARG 9 2HB ARG 9 -6.293 4.895 0.372
77 2HB ARG 9 1HB ARG 9 -6.141 4.239 1.994
78 1HG ARG 9 2HG ARG 9 -8.359 4.749 1.959
79 2HG ARG 9 1HG ARG 9 -7.703 6.247 2.620
80 1HD ARG 9 2HD ARG 9 -8.347 5.760 -0.285
81 2HD ARG 9 1HD ARG 9 -9.376 6.633 0.848
82 HE ARG 9 HE ARG 9 -7.103 7.650 -0.519
83 1HH1 ARG 9 1HH1 ARG 9 -8.854 7.864 2.493
84 2HH1 ARG 9 2HH1 ARG 9 -8.319 9.476 2.832
85 1HH2 ARG 9 1HH2 ARG 9 -6.401 9.771 -0.074
86 2HH2 ARG 9 2HH2 ARG 9 -6.928 10.559 1.375
87 H GLY 10 H GLY 10 -2.844 6.979 1.851
88 1HA GLY 10 2HA GLY 10 -1.756 5.661 3.996
89 2HA GLY 10 1HA GLY 10 -1.635 4.518 2.666
90 H ILE 11 H ILE 11 -0.749 5.643 0.556
91 HA ILE 11 HA ILE 11 0.962 7.851 0.749
92 HB ILE 11 HB ILE 11 3.148 6.344 0.524
93 1HG1 ILE 11 2HG1 ILE 11 1.979 4.858 2.793
94 2HG1 ILE 11 1HG1 ILE 11 1.386 4.387 1.205
95 1HG2 ILE 11 1HG2 ILE 11 3.787 7.436 2.358
96 2HG2 ILE 11 2HG2 ILE 11 2.505 6.730 3.342
97 3HG2 ILE 11 3HG2 ILE 11 2.169 8.137 2.333
98 1HD1 ILE 11 1HD1 ILE 11 3.166 2.968 1.496
99 2HD1 ILE 11 2HD1 ILE 11 4.132 4.180 2.338
100 3HD1 ILE 11 3HD1 ILE 11 3.907 4.289 0.591
101 H CYS 12 H CYS 12 2.585 5.183 -0.745
102 HA CYS 12 HA CYS 12 1.365 4.813 -3.162
103 1HB CYS 12 2HB CYS 12 2.596 7.484 -2.982
104 2HB CYS 12 1HB CYS 12 3.102 6.552 -4.386
105 H TYR 13 H TYR 13 2.736 3.017 -1.971
106 HA TYR 13 HA TYR 13 5.478 3.092 -2.986
107 1HB TYR 13 2HB TYR 13 6.096 1.523 -1.381
108 2HB TYR 13 1HB TYR 13 4.901 2.494 -0.541
109 HD1 TYR 13 1HD TYR 13 5.608 -0.781 -2.031
110 HD2 TYR 13 2HD TYR 13 2.781 1.553 0.125
111 HE1 TYR 13 1HE TYR 13 4.376 -2.825 -1.451
112 HE2 TYR 13 2HE TYR 13 1.538 -0.486 0.710
113 HH TYR 13 HH TYR 13 2.016 -3.426 -0.814
114 H ARG 14 H ARG 14 3.162 2.716 -4.655
115 HA ARG 14 HA ARG 14 2.330 1.374 -6.310
116 1HB ARG 14 2HB ARG 14 5.167 0.405 -6.560
117 2HB ARG 14 1HB ARG 14 3.985 0.660 -7.836
118 1HG ARG 14 2HG ARG 14 4.748 2.711 -8.156
119 2HG ARG 14 1HG ARG 14 4.365 3.132 -6.484
120 1HD ARG 14 2HD ARG 14 6.512 3.023 -5.857
121 2HD ARG 14 1HD ARG 14 6.788 1.524 -6.742
122 HE ARG 14 HE ARG 14 7.356 4.197 -7.634
123 1HH1 ARG 14 1HH1 ARG 14 6.688 0.924 -8.645
124 2HH1 ARG 14 2HH1 ARG 14 7.467 1.107 -10.179
125 1HH2 ARG 14 1HH2 ARG 14 8.381 4.439 -9.652
126 2HH2 ARG 14 2HH2 ARG 14 8.430 3.101 -10.753
127 H ARG 15 H ARG 15 3.100 -1.082 -7.332
128 HA ARG 15 HA ARG 15 2.856 -3.327 -7.062
129 1HB ARG 15 2HB ARG 15 4.102 -2.480 -4.542
130 2HB ARG 15 1HB ARG 15 3.165 -3.960 -4.404
131 1HG ARG 15 2HG ARG 15 5.049 -4.958 -5.063
132 2HG ARG 15 1HG ARG 15 4.571 -4.433 -6.678
133 1HD ARG 15 2HD ARG 15 5.825 -2.230 -5.956
134 2HD ARG 15 1HD ARG 15 6.645 -3.328 -4.849
135 HE ARG 15 HE ARG 15 7.062 -3.112 -7.650
136 1HH1 ARG 15 1HH1 ARG 15 7.000 -5.417 -5.032
137 2HH1 ARG 15 2HH1 ARG 15 8.099 -6.511 -5.804
138 1HH2 ARG 15 1HH2 ARG 15 8.508 -4.548 -8.666
139 2HH2 ARG 15 2HH2 ARG 15 8.956 -6.017 -7.866
140 H CYS 16 H CYS 16 0.591 -1.848 -7.154
141 HA CYS 16 HA CYS 16 -1.168 -2.870 -5.044
142 1HB CYS 16 2HB CYS 16 -1.358 -0.493 -5.417
143 2HB CYS 16 1HB CYS 16 -1.591 -0.740 -7.142
144 H ARG 17 H ARG 17 -1.803 -2.180 -8.428
145 HA ARG 17 HA ARG 17 -2.992 -4.859 -8.693
146 1HB ARG 17 2HB ARG 17 -4.243 -3.743 -10.648
147 2HB ARG 17 1HB ARG 17 -4.748 -3.350 -9.010
148 1HG ARG 17 2HG ARG 17 -4.692 -1.351 -10.351
149 2HG ARG 17 1HG ARG 17 -3.424 -1.277 -9.125
150 1HD ARG 17 2HD ARG 17 -2.690 -2.425 -11.753
151 2HD ARG 17 1HD ARG 17 -2.999 -0.691 -11.699
152 HE ARG 17 HE ARG 17 -0.702 -2.023 -10.731
153 1HH1 ARG 17 1HH1 ARG 17 -2.858 0.612 -9.966
154 2HH1 ARG 17 2HH1 ARG 17 -1.663 1.500 -9.083
155 1HH2 ARG 17 1HH2 ARG 17 0.873 -0.856 -9.570
156 2HH2 ARG 17 2HH2 ARG 17 0.456 0.667 -8.858
Start of MODEL 7
1 1H LYS 1 1HT LYS 1 -5.539 0.009 6.886
2 2H LYS 1 2HT LYS 1 -6.977 -0.913 7.048
3 3H LYS 1 3HT LYS 1 -6.576 -0.203 5.539
4 HA LYS 1 HA LYS 1 -4.826 -2.148 6.856
5 1HB LYS 1 2HB LYS 1 -7.324 -2.840 6.400
6 2HB LYS 1 1HB LYS 1 -6.788 -2.914 4.727
7 1HG LYS 1 2HG LYS 1 -5.535 -4.763 5.063
8 2HG LYS 1 1HG LYS 1 -5.102 -4.305 6.711
9 1HD LYS 1 2HD LYS 1 -6.933 -5.309 7.612
10 2HD LYS 1 1HD LYS 1 -7.943 -4.971 6.206
11 1HE LYS 1 2HE LYS 1 -7.386 -6.902 5.177
12 2HE LYS 1 1HE LYS 1 -5.721 -6.849 5.753
13 1HZ LYS 1 1HZ LYS 1 -7.278 -8.666 6.639
14 2HZ LYS 1 2HZ LYS 1 -7.927 -7.447 7.615
15 3HZ LYS 1 3HZ LYS 1 -6.290 -7.846 7.743
16 H TRP 2 H TRP 2 -4.328 0.290 5.316
17 HA TRP 2 HA TRP 2 -3.809 -0.269 2.608
18 1HB TRP 2 2HB TRP 2 -1.951 1.606 3.944
19 2HB TRP 2 1HB TRP 2 -2.937 1.833 2.505
20 HD1 TRP 2 HD TRP 2 -5.818 1.702 3.511
21 HE1 TRP 2 1HE TRP 2 -6.753 3.385 5.219
22 HE3 TRP 2 3HE TRP 2 -1.421 3.283 5.586
23 HZ2 TRP 2 2HZ TRP 2 -5.759 5.149 7.187
24 HZ3 TRP 2 3HZ TRP 2 -1.500 4.969 7.377
25 HH2 TRP 2 HH TRP 2 -3.626 5.882 8.159
26 H CYS 3 H CYS 3 -2.819 -2.306 2.448
27 HA CYS 3 HA CYS 3 -0.120 -2.523 3.584
28 1HB CYS 3 2HB CYS 3 -2.163 -4.337 3.641
29 2HB CYS 3 1HB CYS 3 -1.238 -4.897 2.253
30 H PHE 4 H PHE 4 -1.553 -3.960 0.644
31 HA PHE 4 HA PHE 4 0.890 -3.248 -0.778
32 1HB PHE 4 2HB PHE 4 0.017 -5.588 -0.882
33 2HB PHE 4 1HB PHE 4 -1.388 -4.976 -1.745
34 HD1 PHE 4 1HD PHE 4 -0.541 -6.788 -3.378
35 HD2 PHE 4 2HD PHE 4 1.526 -3.135 -2.614
36 HE1 PHE 4 1HE PHE 4 0.666 -7.028 -5.507
37 HE2 PHE 4 2HE PHE 4 2.734 -3.381 -4.747
38 HZ PHE 4 HZ PHE 4 2.305 -5.325 -6.193
39 H ARG 5 H ARG 5 -2.529 -2.633 -0.781
40 HA ARG 5 HA ARG 5 -2.356 -0.982 -3.177
41 1HB ARG 5 2HB ARG 5 -4.778 -0.689 -2.901
42 2HB ARG 5 1HB ARG 5 -4.340 -2.391 -2.889
43 1HG ARG 5 2HG ARG 5 -5.184 -2.688 -0.858
44 2HG ARG 5 1HG ARG 5 -4.355 -1.268 -0.221
45 1HD ARG 5 2HD ARG 5 -6.858 -1.185 -0.096
46 2HD ARG 5 1HD ARG 5 -6.107 0.174 -0.928
47 HE ARG 5 HE ARG 5 -7.647 -1.992 -2.163
48 1HH1 ARG 5 1HH1 ARG 5 -5.950 1.049 -2.491
49 2HH1 ARG 5 2HH1 ARG 5 -6.627 1.395 -4.046
50 1HH2 ARG 5 1HH2 ARG 5 -8.529 -1.528 -4.206
51 2HH2 ARG 5 2HH2 ARG 5 -8.085 -0.063 -5.017
52 H VAL 6 H VAL 6 -0.850 -0.273 -0.829
53 HA VAL 6 HA VAL 6 -1.985 1.713 0.746
54 HB VAL 6 HB VAL 6 0.134 0.624 1.263
55 1HG1 VAL 6 1HG1 VAL 6 2.199 1.593 0.051
56 2HG1 VAL 6 2HG1 VAL 6 1.055 2.032 -1.218
57 3HG1 VAL 6 3HG1 VAL 6 1.252 0.338 -0.758
58 1HG2 VAL 6 1HG2 VAL 6 1.165 3.335 1.108
59 2HG2 VAL 6 2HG2 VAL 6 0.739 2.362 2.517
60 3HG2 VAL 6 3HG2 VAL 6 -0.506 3.280 1.671
61 H CYS 7 H CYS 7 -1.553 1.890 -2.571
62 HA CYS 7 HA CYS 7 -0.587 4.519 -2.866
63 1HB CYS 7 2HB CYS 7 -1.637 2.440 -4.579
64 2HB CYS 7 1HB CYS 7 -2.244 4.019 -5.066
65 H TYR 8 H TYR 8 -1.982 5.298 -0.979
66 HA TYR 8 HA TYR 8 -3.709 7.230 -1.836
67 1HB TYR 8 2HB TYR 8 -5.950 6.469 -1.255
68 2HB TYR 8 1HB TYR 8 -5.270 5.481 -2.529
69 HD1 TYR 8 1HD TYR 8 -7.593 5.032 -0.450
70 HD2 TYR 8 2HD TYR 8 -3.582 3.641 -0.738
71 HE1 TYR 8 1HE TYR 8 -8.197 3.039 0.850
72 HE2 TYR 8 2HE TYR 8 -4.179 1.644 0.563
73 HH TYR 8 HH TYR 8 -7.177 0.567 1.007
74 H ARG 9 H ARG 9 -4.838 5.359 0.946
75 HA ARG 9 HA ARG 9 -4.450 7.500 2.720
76 1HB ARG 9 2HB ARG 9 -4.672 4.581 3.480
77 2HB ARG 9 1HB ARG 9 -5.093 5.973 4.468
78 1HG ARG 9 2HG ARG 9 -6.493 5.352 1.888
79 2HG ARG 9 1HG ARG 9 -7.004 4.676 3.433
80 1HD ARG 9 2HD ARG 9 -8.311 6.634 2.962
81 2HD ARG 9 1HD ARG 9 -7.228 6.981 4.310
82 HE ARG 9 HE ARG 9 -6.247 8.600 3.037
83 1HH1 ARG 9 1HH1 ARG 9 -7.962 6.421 0.917
84 2HH1 ARG 9 2HH1 ARG 9 -7.684 7.378 -0.499
85 1HH2 ARG 9 1HH2 ARG 9 -5.880 9.861 1.176
86 2HH2 ARG 9 2HH2 ARG 9 -6.500 9.331 -0.352
87 H GLY 10 H GLY 10 -2.236 8.053 2.224
88 1HA GLY 10 2HA GLY 10 -0.236 8.100 3.666
89 2HA GLY 10 1HA GLY 10 -0.305 6.342 3.665
90 H ILE 11 H ILE 11 -0.627 8.718 1.054
91 HA ILE 11 HA ILE 11 0.290 8.781 -1.030
92 HB ILE 11 HB ILE 11 2.671 9.043 -1.119
93 1HG1 ILE 11 2HG1 ILE 11 2.976 6.975 0.518
94 2HG1 ILE 11 1HG1 ILE 11 4.213 8.213 0.366
95 1HG2 ILE 11 1HG2 ILE 11 3.002 10.693 0.705
96 2HG2 ILE 11 2HG2 ILE 11 1.488 10.137 1.420
97 3HG2 ILE 11 3HG2 ILE 11 1.486 10.887 -0.177
98 1HD1 ILE 11 1HD1 ILE 11 2.212 8.757 2.431
99 2HD1 ILE 11 2HD1 ILE 11 3.969 8.881 2.483
100 3HD1 ILE 11 3HD1 ILE 11 3.190 7.316 2.707
101 H CYS 12 H CYS 12 2.417 7.546 -2.258
102 HA CYS 12 HA CYS 12 1.470 4.768 -2.376
103 1HB CYS 12 2HB CYS 12 2.717 6.595 -4.413
104 2HB CYS 12 1HB CYS 12 2.722 4.852 -4.642
105 H TYR 13 H TYR 13 2.778 3.142 -1.813
106 HA TYR 13 HA TYR 13 5.560 3.117 -2.225
107 1HB TYR 13 2HB TYR 13 6.490 3.518 -0.134
108 2HB TYR 13 1HB TYR 13 5.247 4.752 -0.249
109 HD1 TYR 13 1HD TYR 13 3.020 4.303 0.924
110 HD2 TYR 13 2HD TYR 13 6.546 2.047 1.673
111 HE1 TYR 13 1HE TYR 13 2.096 3.586 3.090
112 HE2 TYR 13 2HE TYR 13 5.627 1.310 3.831
113 HH TYR 13 HH TYR 13 3.970 2.051 5.475
114 H ARG 14 H ARG 14 3.570 1.409 -2.856
115 HA ARG 14 HA ARG 14 2.730 -0.669 -1.425
116 1HB ARG 14 2HB ARG 14 4.211 -1.015 -4.035
117 2HB ARG 14 1HB ARG 14 3.021 -2.117 -3.358
118 1HG ARG 14 2HG ARG 14 1.300 -0.390 -3.579
119 2HG ARG 14 1HG ARG 14 2.497 0.703 -4.277
120 1HD ARG 14 2HD ARG 14 2.881 -0.996 -6.070
121 2HD ARG 14 1HD ARG 14 1.521 -1.909 -5.419
122 HE ARG 14 HE ARG 14 0.120 -0.459 -6.477
123 1HH1 ARG 14 1HH1 ARG 14 3.221 1.100 -6.111
124 2HH1 ARG 14 2HH1 ARG 14 2.770 2.490 -7.039
125 1HH2 ARG 14 1HH2 ARG 14 -0.473 1.369 -7.697
126 2HH2 ARG 14 2HH2 ARG 14 0.674 2.643 -7.938
127 H ARG 15 H ARG 15 3.651 -1.711 0.205
128 HA ARG 15 HA ARG 15 6.007 -3.293 -0.234
129 1HB ARG 15 2HB ARG 15 6.153 -0.744 1.238
130 2HB ARG 15 1HB ARG 15 6.861 -2.120 2.074
131 1HG ARG 15 2HG ARG 15 7.578 -1.164 -0.691
132 2HG ARG 15 1HG ARG 15 8.532 -0.933 0.776
133 1HD ARG 15 2HD ARG 15 9.580 -2.805 0.097
134 2HD ARG 15 1HD ARG 15 8.188 -3.617 0.816
135 HE ARG 15 HE ARG 15 7.644 -4.331 -1.272
136 1HH1 ARG 15 1HH1 ARG 15 9.513 -1.402 -1.594
137 2HH1 ARG 15 2HH1 ARG 15 9.514 -1.445 -3.325
138 1HH2 ARG 15 1HH2 ARG 15 7.647 -4.391 -3.549
139 2HH2 ARG 15 2HH2 ARG 15 8.454 -3.142 -4.435
140 H CYS 16 H CYS 16 4.124 -4.727 0.173
141 HA CYS 16 HA CYS 16 3.878 -5.252 3.056
142 1HB CYS 16 2HB CYS 16 1.791 -4.231 2.360
143 2HB CYS 16 1HB CYS 16 1.657 -5.344 1.002
144 H ARG 17 H ARG 17 4.254 -7.309 3.635
145 HA ARG 17 HA ARG 17 3.726 -9.561 2.006
146 1HB ARG 17 2HB ARG 17 5.981 -10.266 1.475
147 2HB ARG 17 1HB ARG 17 5.682 -8.682 0.777
148 1HG ARG 17 2HG ARG 17 7.574 -8.016 1.720
149 2HG ARG 17 1HG ARG 17 6.754 -8.138 3.278
150 1HD ARG 17 2HD ARG 17 7.627 -10.260 3.708
151 2HD ARG 17 1HD ARG 17 8.034 -10.536 2.015
152 HE ARG 17 HE ARG 17 10.020 -9.436 2.342
153 1HH1 ARG 17 1HH1 ARG 17 7.919 -8.832 5.063
154 2HH1 ARG 17 2HH1 ARG 17 9.154 -8.069 6.005
155 1HH2 ARG 17 1HH2 ARG 17 11.644 -8.430 3.580
156 2HH2 ARG 17 2HH2 ARG 17 11.268 -7.839 5.163
Start of MODEL 8
1 1H LYS 1 1HT LYS 1 -9.139 0.852 -0.863
2 2H LYS 1 2HT LYS 1 -9.953 0.136 0.467
3 3H LYS 1 3HT LYS 1 -10.839 0.643 -0.915
4 HA LYS 1 HA LYS 1 -10.701 -1.606 -1.152
5 1HB LYS 1 2HB LYS 1 -8.564 -0.132 -2.673
6 2HB LYS 1 1HB LYS 1 -8.885 -1.833 -2.980
7 1HG LYS 1 2HG LYS 1 -10.973 0.325 -3.153
8 2HG LYS 1 1HG LYS 1 -10.034 -0.259 -4.529
9 1HD LYS 1 2HD LYS 1 -10.939 -2.473 -4.275
10 2HD LYS 1 1HD LYS 1 -11.752 -2.013 -2.777
11 1HE LYS 1 2HE LYS 1 -13.302 -2.085 -4.677
12 2HE LYS 1 1HE LYS 1 -13.173 -0.466 -3.993
13 1HZ LYS 1 1HZ LYS 1 -11.581 0.065 -5.784
14 2HZ LYS 1 2HZ LYS 1 -13.121 -0.323 -6.367
15 3HZ LYS 1 3HZ LYS 1 -11.868 -1.455 -6.469
16 H TRP 2 H TRP 2 -7.783 -0.233 0.180
17 HA TRP 2 HA TRP 2 -6.105 -1.116 1.431
18 1HB TRP 2 2HB TRP 2 -8.420 -2.650 2.061
19 2HB TRP 2 1HB TRP 2 -7.050 -3.754 1.988
20 HD1 TRP 2 HD TRP 2 -7.696 -0.264 3.592
21 HE1 TRP 2 1HE TRP 2 -6.654 -0.281 5.945
22 HE3 TRP 2 3HE TRP 2 -5.765 -4.999 3.593
23 HZ2 TRP 2 2HZ TRP 2 -5.207 -2.065 7.586
24 HZ3 TRP 2 3HZ TRP 2 -4.567 -5.784 5.593
25 HH2 TRP 2 HH TRP 2 -4.293 -4.346 7.547
26 H CYS 3 H CYS 3 -4.337 -2.611 1.366
27 HA CYS 3 HA CYS 3 -4.113 -4.812 -0.330
28 1HB CYS 3 2HB CYS 3 -3.994 -2.268 -1.700
29 2HB CYS 3 1HB CYS 3 -2.462 -3.118 -1.855
30 H PHE 4 H PHE 4 -2.017 -1.968 0.072
31 HA PHE 4 HA PHE 4 -0.432 -3.157 2.115
32 1HB PHE 4 2HB PHE 4 0.371 -4.454 0.155
33 2HB PHE 4 1HB PHE 4 0.830 -2.945 -0.629
34 HD1 PHE 4 1HD PHE 4 3.138 -3.003 -0.775
35 HD2 PHE 4 2HD PHE 4 1.255 -4.017 2.904
36 HE1 PHE 4 1HE PHE 4 5.340 -3.102 0.321
37 HE2 PHE 4 2HE PHE 4 3.454 -4.119 4.006
38 HZ PHE 4 HZ PHE 4 5.500 -3.660 2.713
39 H ARG 5 H ARG 5 -1.833 -0.725 1.669
40 HA ARG 5 HA ARG 5 -1.606 1.497 2.061
41 1HB ARG 5 2HB ARG 5 1.292 0.846 2.626
42 2HB ARG 5 1HB ARG 5 0.451 2.321 3.084
43 1HG ARG 5 2HG ARG 5 -0.685 -0.249 4.018
44 2HG ARG 5 1HG ARG 5 0.810 0.314 4.769
45 1HD ARG 5 2HD ARG 5 -0.198 2.300 5.532
46 2HD ARG 5 1HD ARG 5 -1.593 2.092 4.473
47 HE ARG 5 HE ARG 5 -1.257 0.004 6.435
48 1HH1 ARG 5 1HH1 ARG 5 -2.683 3.118 5.751
49 2HH1 ARG 5 2HH1 ARG 5 -3.916 2.955 6.954
50 1HH2 ARG 5 1HH2 ARG 5 -2.880 -0.207 8.018
51 2HH2 ARG 5 2HH2 ARG 5 -4.027 1.069 8.242
52 H VAL 6 H VAL 6 -1.328 0.448 -0.558
53 HA VAL 6 HA VAL 6 0.783 1.691 -1.982
54 HB VAL 6 HB VAL 6 -0.657 1.320 -4.001
55 1HG1 VAL 6 1HG1 VAL 6 -0.857 -1.310 -2.843
56 2HG1 VAL 6 2HG1 VAL 6 0.655 -0.536 -2.370
57 3HG1 VAL 6 3HG1 VAL 6 0.250 -0.708 -4.077
58 1HG2 VAL 6 1HG2 VAL 6 -2.565 -0.265 -2.381
59 2HG2 VAL 6 2HG2 VAL 6 -2.809 0.603 -3.898
60 3HG2 VAL 6 3HG2 VAL 6 -2.763 1.487 -2.372
61 H CYS 7 H CYS 7 0.043 3.242 -3.913
62 HA CYS 7 HA CYS 7 -0.183 5.768 -3.069
63 1HB CYS 7 2HB CYS 7 -1.248 4.495 -5.557
64 2HB CYS 7 1HB CYS 7 -1.503 6.213 -5.267
65 H TYR 8 H TYR 8 -1.535 7.074 -2.110
66 HA TYR 8 HA TYR 8 -3.501 8.014 -1.387
67 1HB TYR 8 2HB TYR 8 -4.468 6.757 -3.522
68 2HB TYR 8 1HB TYR 8 -5.175 5.714 -2.296
69 HD1 TYR 8 1HD TYR 8 -4.644 9.406 -2.300
70 HD2 TYR 8 2HD TYR 8 -7.438 6.200 -2.263
71 HE1 TYR 8 1HE TYR 8 -6.478 11.016 -1.990
72 HE2 TYR 8 2HE TYR 8 -9.279 7.796 -1.952
73 HH TYR 8 HH TYR 8 -9.675 10.027 -1.186
74 H ARG 9 H ARG 9 -5.543 7.055 0.017
75 HA ARG 9 HA ARG 9 -5.900 6.430 2.199
76 1HB ARG 9 2HB ARG 9 -5.006 3.742 1.174
77 2HB ARG 9 1HB ARG 9 -6.217 4.079 2.400
78 1HG ARG 9 2HG ARG 9 -7.657 3.727 0.721
79 2HG ARG 9 1HG ARG 9 -7.273 5.395 0.291
80 1HD ARG 9 2HD ARG 9 -6.922 4.368 -1.721
81 2HD ARG 9 1HD ARG 9 -5.307 4.251 -1.028
82 HE ARG 9 HE ARG 9 -7.240 2.073 -1.321
83 1HH1 ARG 9 1HH1 ARG 9 -4.039 3.139 -0.398
84 2HH1 ARG 9 2HH1 ARG 9 -3.391 1.536 -0.344
85 1HH2 ARG 9 1HH2 ARG 9 -6.379 -0.029 -1.249
86 2HH2 ARG 9 2HH2 ARG 9 -4.715 -0.259 -0.826
87 H GLY 10 H GLY 10 -3.283 7.481 1.927
88 1HA GLY 10 2HA GLY 10 -2.030 7.346 4.175
89 2HA GLY 10 1HA GLY 10 -1.689 5.706 3.651
90 H ILE 11 H ILE 11 -0.624 5.563 1.423
91 HA ILE 11 HA ILE 11 0.966 7.847 0.638
92 HB ILE 11 HB ILE 11 3.143 6.814 1.017
93 1HG1 ILE 11 2HG1 ILE 11 2.249 4.771 2.903
94 2HG1 ILE 11 1HG1 ILE 11 1.716 4.446 1.257
95 1HG2 ILE 11 1HG2 ILE 11 1.588 6.827 3.592
96 2HG2 ILE 11 2HG2 ILE 11 2.098 8.283 2.738
97 3HG2 ILE 11 3HG2 ILE 11 3.306 7.163 3.371
98 1HD1 ILE 11 1HD1 ILE 11 3.875 3.396 1.846
99 2HD1 ILE 11 2HD1 ILE 11 4.565 5.008 2.037
100 3HD1 ILE 11 3HD1 ILE 11 3.973 4.483 0.461
101 H CYS 12 H CYS 12 2.975 6.480 -0.780
102 HA CYS 12 HA CYS 12 1.368 4.991 -2.738
103 1HB CYS 12 2HB CYS 12 3.452 7.075 -3.056
104 2HB CYS 12 1HB CYS 12 3.452 5.766 -4.233
105 H TYR 13 H TYR 13 1.818 2.961 -3.030
106 HA TYR 13 HA TYR 13 4.530 1.970 -2.897
107 1HB TYR 13 2HB TYR 13 3.149 1.899 -0.562
108 2HB TYR 13 1HB TYR 13 2.667 0.358 -1.263
109 HD1 TYR 13 1HD TYR 13 4.659 -1.083 -2.215
110 HD2 TYR 13 2HD TYR 13 5.071 1.982 0.700
111 HE1 TYR 13 1HE TYR 13 6.779 -2.088 -1.471
112 HE2 TYR 13 2HE TYR 13 7.190 0.991 1.456
113 HH TYR 13 HH TYR 13 8.214 -2.123 0.486
114 H ARG 14 H ARG 14 3.202 2.118 -5.147
115 HA ARG 14 HA ARG 14 1.343 0.302 -5.954
116 1HB ARG 14 2HB ARG 14 3.816 1.054 -7.520
117 2HB ARG 14 1HB ARG 14 2.313 0.431 -8.189
118 1HG ARG 14 2HG ARG 14 2.711 3.075 -6.807
119 2HG ARG 14 1HG ARG 14 2.423 2.806 -8.526
120 1HD ARG 14 2HD ARG 14 0.502 2.073 -6.321
121 2HD ARG 14 1HD ARG 14 0.405 3.543 -7.289
122 HE ARG 14 HE ARG 14 0.474 1.279 -8.973
123 1HH1 ARG 14 1HH1 ARG 14 -1.643 2.960 -6.769
124 2HH1 ARG 14 2HH1 ARG 14 -3.091 2.433 -7.560
125 1HH2 ARG 14 1HH2 ARG 14 -1.427 0.584 -10.015
126 2HH2 ARG 14 2HH2 ARG 14 -2.968 1.083 -9.402
127 H ARG 15 H ARG 15 1.201 -1.803 -5.628
128 HA ARG 15 HA ARG 15 3.000 -3.668 -6.645
129 1HB ARG 15 2HB ARG 15 4.522 -3.022 -4.892
130 2HB ARG 15 1HB ARG 15 3.266 -3.202 -3.675
131 1HG ARG 15 2HG ARG 15 4.608 -5.105 -3.460
132 2HG ARG 15 1HG ARG 15 3.183 -5.654 -4.346
133 1HD ARG 15 2HD ARG 15 5.367 -6.490 -5.241
134 2HD ARG 15 1HD ARG 15 4.363 -5.637 -6.412
135 HE ARG 15 HE ARG 15 6.016 -4.082 -6.617
136 1HH1 ARG 15 1HH1 ARG 15 6.484 -5.785 -3.607
137 2HH1 ARG 15 2HH1 ARG 15 7.994 -5.011 -3.260
138 1HH2 ARG 15 1HH2 ARG 15 7.999 -3.063 -6.161
139 2HH2 ARG 15 2HH2 ARG 15 8.854 -3.465 -4.710
140 H CYS 16 H CYS 16 1.663 -4.212 -3.471
141 HA CYS 16 HA CYS 16 0.157 -5.777 -2.767
142 1HB CYS 16 2HB CYS 16 -1.262 -3.838 -3.152
143 2HB CYS 16 1HB CYS 16 -1.492 -4.313 -4.829
144 H ARG 17 H ARG 17 -1.369 -5.811 -5.898
145 HA ARG 17 HA ARG 17 -1.114 -8.668 -6.045
146 1HB ARG 17 2HB ARG 17 -3.176 -7.574 -6.763
147 2HB ARG 17 1HB ARG 17 -2.294 -6.680 -7.994
148 1HG ARG 17 2HG ARG 17 -1.780 -9.457 -8.349
149 2HG ARG 17 1HG ARG 17 -3.520 -9.214 -8.203
150 1HD ARG 17 2HD ARG 17 -1.995 -7.354 -9.947
151 2HD ARG 17 1HD ARG 17 -2.255 -9.000 -10.526
152 HE ARG 17 HE ARG 17 -4.707 -8.035 -9.639
153 1HH1 ARG 17 1HH1 ARG 17 -2.376 -7.308 -12.133
154 2HH1 ARG 17 2HH1 ARG 17 -3.560 -6.682 -13.233
155 1HH2 ARG 17 1HH2 ARG 17 -6.265 -7.213 -11.085
156 2HH2 ARG 17 2HH2 ARG 17 -5.767 -6.629 -12.637
Start of MODEL 9
1 1H LYS 1 1HT LYS 1 -0.654 3.996 5.014
2 2H LYS 1 2HT LYS 1 -1.827 3.488 6.159
3 3H LYS 1 3HT LYS 1 -1.280 2.402 4.949
4 HA LYS 1 HA LYS 1 0.886 2.384 5.870
5 1HB LYS 1 2HB LYS 1 0.894 4.695 6.665
6 2HB LYS 1 1HB LYS 1 -0.319 4.302 7.876
7 1HG LYS 1 2HG LYS 1 1.949 4.470 8.807
8 2HG LYS 1 1HG LYS 1 1.233 2.876 9.040
9 1HD LYS 1 2HD LYS 1 2.783 3.173 6.564
10 2HD LYS 1 1HD LYS 1 3.727 3.331 8.047
11 1HE LYS 1 2HE LYS 1 2.004 1.012 7.198
12 2HE LYS 1 1HE LYS 1 3.753 1.031 7.407
13 1HZ LYS 1 1HZ LYS 1 3.105 1.709 9.826
14 2HZ LYS 1 2HZ LYS 1 3.089 0.084 9.360
15 3HZ LYS 1 3HZ LYS 1 1.641 0.954 9.439
16 H TRP 2 H TRP 2 -0.031 0.261 5.933
17 HA TRP 2 HA TRP 2 -0.370 -0.720 8.588
18 1HB TRP 2 2HB TRP 2 -2.603 -1.677 8.327
19 2HB TRP 2 1HB TRP 2 -2.659 0.078 8.180
20 HD1 TRP 2 HD TRP 2 -2.453 0.867 5.386
21 HE1 TRP 2 1HE TRP 2 -3.873 -0.082 3.459
22 HE3 TRP 2 3HE TRP 2 -3.894 -3.541 7.536
23 HZ2 TRP 2 2HZ TRP 2 -5.401 -2.395 2.923
24 HZ3 TRP 2 3HZ TRP 2 -5.333 -5.066 6.250
25 HH2 TRP 2 HH TRP 2 -6.071 -4.503 3.992
26 H CYS 3 H CYS 3 -0.769 -1.384 5.167
27 HA CYS 3 HA CYS 3 0.702 -3.894 5.547
28 1HB CYS 3 2HB CYS 3 -1.593 -4.584 5.339
29 2HB CYS 3 1HB CYS 3 -1.833 -3.545 3.939
30 H PHE 4 H PHE 4 -0.781 -2.476 2.648
31 HA PHE 4 HA PHE 4 1.827 -1.678 1.661
32 1HB PHE 4 2HB PHE 4 1.957 -3.116 -0.138
33 2HB PHE 4 1HB PHE 4 1.227 -4.159 1.069
34 HD1 PHE 4 1HD PHE 4 0.500 -2.051 -1.878
35 HD2 PHE 4 2HD PHE 4 -0.889 -5.119 0.724
36 HE1 PHE 4 1HE PHE 4 -1.375 -2.496 -3.409
37 HE2 PHE 4 2HE PHE 4 -2.765 -5.571 -0.802
38 HZ PHE 4 HZ PHE 4 -3.011 -4.258 -2.872
39 H ARG 5 H ARG 5 -1.569 -2.052 0.854
40 HA ARG 5 HA ARG 5 -2.603 -0.807 -0.964
41 1HB ARG 5 2HB ARG 5 -2.777 0.247 1.812
42 2HB ARG 5 1HB ARG 5 -3.534 1.182 0.529
43 1HG ARG 5 2HG ARG 5 -4.090 -1.735 0.698
44 2HG ARG 5 1HG ARG 5 -4.872 -0.647 1.844
45 1HD ARG 5 2HD ARG 5 -6.279 0.130 0.293
46 2HD ARG 5 1HD ARG 5 -4.988 0.338 -0.889
47 HE ARG 5 HE ARG 5 -5.714 -1.574 -1.877
48 1HH1 ARG 5 1HH1 ARG 5 -6.627 -1.696 1.490
49 2HH1 ARG 5 2HH1 ARG 5 -7.448 -3.215 1.341
50 1HH2 ARG 5 1HH2 ARG 5 -6.794 -3.571 -2.074
51 2HH2 ARG 5 2HH2 ARG 5 -7.542 -4.278 -0.681
52 H VAL 6 H VAL 6 -1.110 -0.042 -2.458
53 HA VAL 6 HA VAL 6 0.690 2.029 -2.130
54 HB VAL 6 HB VAL 6 -0.307 2.262 -4.788
55 1HG1 VAL 6 1HG1 VAL 6 2.140 1.313 -3.402
56 2HG1 VAL 6 2HG1 VAL 6 1.934 2.561 -4.631
57 3HG1 VAL 6 3HG1 VAL 6 1.933 0.868 -5.098
58 1HG2 VAL 6 1HG2 VAL 6 -1.488 0.149 -4.437
59 2HG2 VAL 6 2HG2 VAL 6 0.019 -0.613 -3.930
60 3HG2 VAL 6 3HG2 VAL 6 -0.163 -0.036 -5.585
61 H CYS 7 H CYS 7 0.213 3.948 -4.016
62 HA CYS 7 HA CYS 7 -0.594 6.132 -2.966
63 1HB CYS 7 2HB CYS 7 -1.714 5.281 -5.636
64 2HB CYS 7 1HB CYS 7 -1.545 6.943 -5.073
65 H TYR 8 H TYR 8 -1.906 5.856 -1.213
66 HA TYR 8 HA TYR 8 -4.572 6.597 -1.528
67 1HB TYR 8 2HB TYR 8 -4.846 4.244 -2.275
68 2HB TYR 8 1HB TYR 8 -4.248 3.698 -0.713
69 HD1 TYR 8 1HD TYR 8 -5.620 3.967 1.307
70 HD2 TYR 8 2HD TYR 8 -7.074 5.127 -2.522
71 HE1 TYR 8 1HE TYR 8 -7.907 4.058 2.208
72 HE2 TYR 8 2HE TYR 8 -9.362 5.221 -1.631
73 HH TYR 8 HH TYR 8 -10.264 3.863 1.271
74 H ARG 9 H ARG 9 -3.558 4.212 0.881
75 HA ARG 9 HA ARG 9 -4.313 5.611 3.112
76 1HB ARG 9 2HB ARG 9 -1.972 3.712 2.895
77 2HB ARG 9 1HB ARG 9 -2.782 4.170 4.385
78 1HG ARG 9 2HG ARG 9 -4.197 2.814 2.108
79 2HG ARG 9 1HG ARG 9 -3.414 1.936 3.423
80 1HD ARG 9 2HD ARG 9 -4.874 3.639 4.868
81 2HD ARG 9 1HD ARG 9 -5.887 3.567 3.427
82 HE ARG 9 HE ARG 9 -5.480 1.487 5.372
83 1HH1 ARG 9 1HH1 ARG 9 -6.407 2.190 2.082
84 2HH1 ARG 9 2HH1 ARG 9 -7.313 0.726 1.892
85 1HH2 ARG 9 1HH2 ARG 9 -6.672 -0.438 5.126
86 2HH2 ARG 9 2HH2 ARG 9 -7.465 -0.765 3.620
87 H GLY 10 H GLY 10 -3.622 7.810 2.321
88 1HA GLY 10 2HA GLY 10 -2.347 9.685 2.603
89 2HA GLY 10 1HA GLY 10 -1.607 8.840 3.951
90 H ILE 11 H ILE 11 -1.236 7.184 0.987
91 HA ILE 11 HA ILE 11 0.802 8.401 -0.365
92 HB ILE 11 HB ILE 11 2.805 7.020 0.631
93 1HG1 ILE 11 2HG1 ILE 11 2.810 6.837 3.038
94 2HG1 ILE 11 1HG1 ILE 11 1.203 7.539 3.142
95 1HG2 ILE 11 1HG2 ILE 11 2.625 9.270 2.376
96 2HG2 ILE 11 2HG2 ILE 11 1.971 9.692 0.794
97 3HG2 ILE 11 3HG2 ILE 11 3.607 9.051 0.926
98 1HD1 ILE 11 1HD1 ILE 11 1.061 5.170 3.454
99 2HD1 ILE 11 2HD1 ILE 11 1.938 4.878 1.951
100 3HD1 ILE 11 3HD1 ILE 11 0.323 5.586 1.908
101 H CYS 12 H CYS 12 2.544 6.605 -1.189
102 HA CYS 12 HA CYS 12 0.899 4.311 -1.986
103 1HB CYS 12 2HB CYS 12 3.411 5.083 -3.421
104 2HB CYS 12 1HB CYS 12 2.012 4.219 -4.038
105 H TYR 13 H TYR 13 3.036 2.843 -3.079
106 HA TYR 13 HA TYR 13 5.017 1.718 -2.528
107 1HB TYR 13 2HB TYR 13 5.998 1.801 -0.520
108 2HB TYR 13 1HB TYR 13 4.912 3.149 -0.265
109 HD1 TYR 13 1HD TYR 13 6.298 0.723 1.494
110 HD2 TYR 13 2HD TYR 13 2.364 1.883 0.359
111 HE1 TYR 13 1HE TYR 13 5.393 -0.429 3.468
112 HE2 TYR 13 2HE TYR 13 1.451 0.741 2.334
113 HH TYR 13 HH TYR 13 3.154 -1.469 4.130
114 H ARG 14 H ARG 14 5.300 -0.506 -2.102
115 HA ARG 14 HA ARG 14 2.975 -1.996 -1.207
116 1HB ARG 14 2HB ARG 14 4.078 -2.800 -3.856
117 2HB ARG 14 1HB ARG 14 2.466 -3.039 -3.195
118 1HG ARG 14 2HG ARG 14 1.878 -0.755 -3.623
119 2HG ARG 14 1HG ARG 14 3.531 -0.354 -4.084
120 1HD ARG 14 2HD ARG 14 2.600 -0.645 -6.154
121 2HD ARG 14 1HD ARG 14 3.151 -2.289 -5.837
122 HE ARG 14 HE ARG 14 0.616 -2.263 -4.869
123 1HH1 ARG 14 1HH1 ARG 14 2.037 -1.431 -7.945
124 2HH1 ARG 14 2HH1 ARG 14 0.627 -1.858 -8.854
125 1HH2 ARG 14 1HH2 ARG 14 -1.237 -2.830 -6.060
126 2HH2 ARG 14 2HH2 ARG 14 -1.234 -2.653 -7.783
127 H ARG 15 H ARG 15 3.860 -3.296 0.269
128 HA ARG 15 HA ARG 15 6.256 -4.811 -0.491
129 1HB ARG 15 2HB ARG 15 6.101 -4.546 2.369
130 2HB ARG 15 1HB ARG 15 7.412 -4.121 1.285
131 1HG ARG 15 2HG ARG 15 5.147 -2.230 1.385
132 2HG ARG 15 1HG ARG 15 6.139 -2.356 2.837
133 1HD ARG 15 2HD ARG 15 7.828 -2.259 0.526
134 2HD ARG 15 1HD ARG 15 6.690 -0.914 0.482
135 HE ARG 15 HE ARG 15 7.857 -1.176 3.054
136 1HH1 ARG 15 1HH1 ARG 15 8.532 -0.048 -0.177
137 2HH1 ARG 15 2HH1 ARG 15 9.712 1.109 0.340
138 1HH2 ARG 15 1HH2 ARG 15 9.409 0.342 3.737
139 2HH2 ARG 15 2HH2 ARG 15 10.211 1.330 2.562
140 H CYS 16 H CYS 16 4.310 -4.976 2.422
141 HA CYS 16 HA CYS 16 3.728 -7.002 3.484
142 1HB CYS 16 2HB CYS 16 1.788 -5.915 1.577
143 2HB CYS 16 1HB CYS 16 1.460 -7.572 2.073
144 H ARG 17 H ARG 17 2.420 -7.956 0.392
145 HA ARG 17 HA ARG 17 2.487 -9.972 -0.684
146 1HB ARG 17 2HB ARG 17 4.641 -10.528 -1.592
147 2HB ARG 17 1HB ARG 17 4.509 -8.778 -1.519
148 1HG ARG 17 2HG ARG 17 5.968 -8.649 0.335
149 2HG ARG 17 1HG ARG 17 5.895 -10.392 0.602
150 1HD ARG 17 2HD ARG 17 7.998 -9.723 -0.464
151 2HD ARG 17 1HD ARG 17 7.045 -10.782 -1.503
152 HE ARG 17 HE ARG 17 6.877 -9.078 -3.018
153 1HH1 ARG 17 1HH1 ARG 17 7.884 -7.754 0.049
154 2HH1 ARG 17 2HH1 ARG 17 8.166 -6.168 -0.586
155 1HH2 ARG 17 1HH2 ARG 17 7.245 -6.992 -3.856
156 2HH2 ARG 17 2HH2 ARG 17 7.801 -5.735 -2.804
Start of MODEL 10
1 1H LYS 1 1HT LYS 1 -6.780 2.986 7.790
2 2H LYS 1 2HT LYS 1 -7.143 1.322 7.566
3 3H LYS 1 3HT LYS 1 -6.384 2.213 6.313
4 HA LYS 1 HA LYS 1 -4.399 2.294 7.362
5 1HB LYS 1 2HB LYS 1 -4.262 1.604 9.831
6 2HB LYS 1 1HB LYS 1 -4.982 3.165 9.464
7 1HG LYS 1 2HG LYS 1 -6.486 2.379 10.977
8 2HG LYS 1 1HG LYS 1 -7.214 1.770 9.491
9 1HD LYS 1 2HD LYS 1 -7.236 -0.039 11.008
10 2HD LYS 1 1HD LYS 1 -5.909 -0.366 9.892
11 1HE LYS 1 2HE LYS 1 -5.267 -0.823 12.206
12 2HE LYS 1 1HE LYS 1 -4.311 0.488 11.518
13 1HZ LYS 1 1HZ LYS 1 -6.722 1.295 12.914
14 2HZ LYS 1 2HZ LYS 1 -5.175 1.979 12.938
15 3HZ LYS 1 3HZ LYS 1 -5.514 0.622 13.889
16 H TRP 2 H TRP 2 -6.019 0.198 6.070
17 HA TRP 2 HA TRP 2 -5.445 -2.309 7.279
18 1HB TRP 2 2HB TRP 2 -6.011 -3.222 4.991
19 2HB TRP 2 1HB TRP 2 -7.252 -2.215 5.722
20 HD1 TRP 2 HD TRP 2 -4.626 0.007 4.421
21 HE1 TRP 2 1HE TRP 2 -5.307 0.988 2.142
22 HE3 TRP 2 3HE TRP 2 -8.568 -3.071 3.356
23 HZ2 TRP 2 2HZ TRP 2 -7.257 0.519 0.155
24 HZ3 TRP 2 3HZ TRP 2 -9.787 -2.737 1.244
25 HH2 TRP 2 HH TRP 2 -9.144 -0.978 -0.321
26 H CYS 3 H CYS 3 -4.320 -3.836 5.213
27 HA CYS 3 HA CYS 3 -1.630 -3.724 5.732
28 1HB CYS 3 2HB CYS 3 -2.963 -5.546 4.507
29 2HB CYS 3 1HB CYS 3 -2.651 -4.618 3.044
30 H PHE 4 H PHE 4 -3.441 -1.725 3.580
31 HA PHE 4 HA PHE 4 -2.816 0.276 2.639
32 1HB PHE 4 2HB PHE 4 -0.630 -0.175 4.226
33 2HB PHE 4 1HB PHE 4 0.093 -0.178 2.621
34 HD1 PHE 4 1HD PHE 4 -1.508 1.815 5.198
35 HD2 PHE 4 2HD PHE 4 -0.002 1.823 1.219
36 HE1 PHE 4 1HE PHE 4 -1.499 4.274 5.212
37 HE2 PHE 4 2HE PHE 4 0.009 4.281 1.226
38 HZ PHE 4 HZ PHE 4 -0.738 5.509 3.222
39 H ARG 5 H ARG 5 -3.600 -0.226 0.656
40 HA ARG 5 HA ARG 5 -2.012 -1.868 -1.149
41 1HB ARG 5 2HB ARG 5 -3.921 -1.829 -2.622
42 2HB ARG 5 1HB ARG 5 -4.469 -2.198 -0.994
43 1HG ARG 5 2HG ARG 5 -5.690 -0.319 -0.835
44 2HG ARG 5 1HG ARG 5 -4.510 0.654 -1.715
45 1HD ARG 5 2HD ARG 5 -5.686 -1.291 -3.471
46 2HD ARG 5 1HD ARG 5 -6.951 -0.373 -2.658
47 HE ARG 5 HE ARG 5 -6.252 1.542 -3.754
48 1HH1 ARG 5 1HH1 ARG 5 -4.052 -1.092 -4.415
49 2HH1 ARG 5 2HH1 ARG 5 -3.263 -0.268 -5.715
50 1HH2 ARG 5 1HH2 ARG 5 -5.210 2.621 -5.466
51 2HH2 ARG 5 2HH2 ARG 5 -3.916 1.835 -6.312
52 H VAL 6 H VAL 6 -0.611 0.312 -0.570
53 HA VAL 6 HA VAL 6 0.401 2.190 -1.333
54 HB VAL 6 HB VAL 6 0.385 2.108 -4.060
55 1HG1 VAL 6 1HG1 VAL 6 2.487 2.150 -3.298
56 2HG1 VAL 6 2HG1 VAL 6 2.411 0.394 -3.449
57 3HG1 VAL 6 3HG1 VAL 6 2.102 1.162 -1.891
58 1HG2 VAL 6 1HG2 VAL 6 0.682 -0.331 -4.608
59 2HG2 VAL 6 2HG2 VAL 6 -0.977 0.177 -4.305
60 3HG2 VAL 6 3HG2 VAL 6 -0.082 -0.695 -3.062
61 H CYS 7 H CYS 7 0.274 3.912 -3.219
62 HA CYS 7 HA CYS 7 -0.810 5.991 -3.274
63 1HB CYS 7 2HB CYS 7 -2.085 4.167 -5.306
64 2HB CYS 7 1HB CYS 7 -2.212 5.924 -5.342
65 H TYR 8 H TYR 8 -1.827 5.398 -1.055
66 HA TYR 8 HA TYR 8 -4.296 6.599 -0.902
67 1HB TYR 8 2HB TYR 8 -4.961 4.347 -2.025
68 2HB TYR 8 1HB TYR 8 -4.706 3.656 -0.426
69 HD1 TYR 8 1HD TYR 8 -6.857 3.091 0.298
70 HD2 TYR 8 2HD TYR 8 -6.166 6.959 -1.336
71 HE1 TYR 8 1HE TYR 8 -9.125 3.773 0.964
72 HE2 TYR 8 2HE TYR 8 -8.430 7.650 -0.674
73 HH TYR 8 HH TYR 8 -10.127 6.869 1.175
74 H ARG 9 H ARG 9 -5.359 6.200 1.302
75 HA ARG 9 HA ARG 9 -5.066 6.534 3.542
76 1HB ARG 9 2HB ARG 9 -3.535 3.944 3.297
77 2HB ARG 9 1HB ARG 9 -4.375 4.543 4.721
78 1HG ARG 9 2HG ARG 9 -5.676 3.758 2.122
79 2HG ARG 9 1HG ARG 9 -5.631 2.782 3.592
80 1HD ARG 9 2HD ARG 9 -6.612 5.207 4.465
81 2HD ARG 9 1HD ARG 9 -7.360 5.015 2.880
82 HE ARG 9 HE ARG 9 -7.581 2.626 4.383
83 1HH1 ARG 9 1HH1 ARG 9 -8.901 5.846 4.131
84 2HH1 ARG 9 2HH1 ARG 9 -10.433 5.406 4.806
85 1HH2 ARG 9 1HH2 ARG 9 -9.599 2.042 5.267
86 2HH2 ARG 9 2HH2 ARG 9 -10.831 3.246 5.452
87 H GLY 10 H GLY 10 -2.875 7.673 1.835
88 1HA GLY 10 2HA GLY 10 -1.316 8.971 3.511
89 2HA GLY 10 1HA GLY 10 -0.570 7.389 3.615
90 H ILE 11 H ILE 11 -0.124 6.435 1.271
91 HA ILE 11 HA ILE 11 0.463 8.256 -0.818
92 HB ILE 11 HB ILE 11 3.079 7.801 -0.491
93 1HG1 ILE 11 2HG1 ILE 11 3.784 8.019 1.798
94 2HG1 ILE 11 1HG1 ILE 11 2.127 8.226 2.347
95 1HG2 ILE 11 1HG2 ILE 11 1.467 9.974 -0.505
96 2HG2 ILE 11 2HG2 ILE 11 3.221 10.033 -0.335
97 3HG2 ILE 11 3HG2 ILE 11 2.193 10.103 1.097
98 1HD1 ILE 11 1HD1 ILE 11 3.388 5.938 2.601
99 2HD1 ILE 11 2HD1 ILE 11 2.836 5.710 0.942
100 3HD1 ILE 11 3HD1 ILE 11 1.665 5.998 2.227
101 H CYS 12 H CYS 12 2.531 7.139 -2.143
102 HA CYS 12 HA CYS 12 1.568 4.417 -2.602
103 1HB CYS 12 2HB CYS 12 3.388 6.016 -4.398
104 2HB CYS 12 1HB CYS 12 2.499 4.554 -4.804
105 H TYR 13 H TYR 13 2.636 3.004 -1.368
106 HA TYR 13 HA TYR 13 5.517 2.823 -1.766
107 1HB TYR 13 2HB TYR 13 6.131 2.951 0.425
108 2HB TYR 13 1HB TYR 13 4.714 3.985 0.495
109 HD1 TYR 13 1HD TYR 13 6.145 0.769 1.464
110 HD2 TYR 13 2HD TYR 13 2.676 3.227 1.605
111 HE1 TYR 13 1HE TYR 13 5.216 -0.658 3.237
112 HE2 TYR 13 2HE TYR 13 1.735 1.808 3.379
113 HH TYR 13 HH TYR 13 3.093 -1.232 4.217
114 H ARG 14 H ARG 14 5.346 1.048 -3.013
115 HA ARG 14 HA ARG 14 3.607 -1.117 -2.522
116 1HB ARG 14 2HB ARG 14 6.169 -1.183 -4.118
117 2HB ARG 14 1HB ARG 14 4.780 -2.247 -4.292
118 1HG ARG 14 2HG ARG 14 3.573 -0.716 -5.457
119 2HG ARG 14 1HG ARG 14 4.309 0.660 -4.631
120 1HD ARG 14 2HD ARG 14 5.533 0.958 -6.469
121 2HD ARG 14 1HD ARG 14 6.412 -0.501 -6.011
122 HE ARG 14 HE ARG 14 4.069 -1.175 -7.441
123 1HH1 ARG 14 1HH1 ARG 14 7.259 0.162 -7.905
124 2HH1 ARG 14 2HH1 ARG 14 7.383 -0.381 -9.544
125 1HH2 ARG 14 1HH2 ARG 14 4.229 -1.887 -9.597
126 2HH2 ARG 14 2HH2 ARG 14 5.663 -1.544 -10.506
127 H ARG 15 H ARG 15 3.801 -1.926 -0.466
128 HA ARG 15 HA ARG 15 5.644 -3.965 -0.010
129 1HB ARG 15 2HB ARG 15 6.914 -1.590 0.365
130 2HB ARG 15 1HB ARG 15 6.318 -1.899 1.988
131 1HG ARG 15 2HG ARG 15 7.868 -3.939 0.421
132 2HG ARG 15 1HG ARG 15 8.642 -2.735 1.456
133 1HD ARG 15 2HD ARG 15 8.041 -3.795 3.344
134 2HD ARG 15 1HD ARG 15 6.436 -4.188 2.728
135 HE ARG 15 HE ARG 15 8.544 -5.735 1.533
136 1HH1 ARG 15 1HH1 ARG 15 6.339 -5.513 4.229
137 2HH1 ARG 15 2HH1 ARG 15 6.370 -7.213 4.553
138 1HH2 ARG 15 1HH2 ARG 15 8.584 -7.971 1.961
139 2HH2 ARG 15 2HH2 ARG 15 7.644 -8.609 3.267
140 H CYS 16 H CYS 16 3.294 -4.532 0.336
141 HA CYS 16 HA CYS 16 2.470 -3.957 3.098
142 1HB CYS 16 2HB CYS 16 0.517 -3.410 2.133
143 2HB CYS 16 1HB CYS 16 1.008 -4.095 0.592
144 H ARG 17 H ARG 17 3.300 -6.448 0.849
145 HA ARG 17 HA ARG 17 3.285 -8.385 3.036
146 1HB ARG 17 2HB ARG 17 2.232 -10.106 1.659
147 2HB ARG 17 1HB ARG 17 1.160 -8.727 1.867
148 1HG ARG 17 2HG ARG 17 2.858 -8.625 -0.525
149 2HG ARG 17 1HG ARG 17 1.673 -9.932 -0.496
150 1HD ARG 17 2HD ARG 17 1.077 -7.006 -0.072
151 2HD ARG 17 1HD ARG 17 0.786 -7.904 -1.559
152 HE ARG 17 HE ARG 17 -0.517 -9.177 0.591
153 1HH1 ARG 17 1HH1 ARG 17 -0.736 -6.316 -1.396
154 2HH1 ARG 17 2HH1 ARG 17 -2.454 -6.175 -1.225
155 1HH2 ARG 17 1HH2 ARG 17 -2.776 -8.992 0.821
156 2HH2 ARG 17 2HH2 ARG 17 -3.612 -7.693 0.035
Start of MODEL 11
1 1H LYS 1 1HT LYS 1 -7.526 3.106 -5.482
2 2H LYS 1 2HT LYS 1 -7.611 3.398 -3.792
3 3H LYS 1 3HT LYS 1 -8.295 1.970 -4.455
4 HA LYS 1 HA LYS 1 -5.931 1.560 -5.302
5 1HB LYS 1 2HB LYS 1 -5.646 3.624 -3.136
6 2HB LYS 1 1HB LYS 1 -4.378 2.437 -3.406
7 1HG LYS 1 2HG LYS 1 -3.815 4.434 -4.585
8 2HG LYS 1 1HG LYS 1 -4.245 3.196 -5.765
9 1HD LYS 1 2HD LYS 1 -6.173 4.258 -6.383
10 2HD LYS 1 1HD LYS 1 -6.398 5.002 -4.799
11 1HE LYS 1 2HE LYS 1 -5.476 6.883 -5.532
12 2HE LYS 1 1HE LYS 1 -3.995 6.017 -5.942
13 1HZ LYS 1 1HZ LYS 1 -4.563 5.886 -8.110
14 2HZ LYS 1 2HZ LYS 1 -5.460 7.271 -7.741
15 3HZ LYS 1 3HZ LYS 1 -6.223 5.762 -7.803
16 H TRP 2 H TRP 2 -6.339 2.118 -1.816
17 HA TRP 2 HA TRP 2 -6.566 0.697 -0.069
18 1HB TRP 2 2HB TRP 2 -7.661 -1.527 -1.696
19 2HB TRP 2 1HB TRP 2 -8.234 -0.855 -0.178
20 HD1 TRP 2 HD TRP 2 -8.713 2.144 -1.108
21 HE1 TRP 2 1HE TRP 2 -10.661 2.682 -2.704
22 HE3 TRP 2 3HE TRP 2 -9.412 -2.500 -3.129
23 HZ2 TRP 2 2HZ TRP 2 -12.278 1.317 -4.572
24 HZ3 TRP 2 3HZ TRP 2 -11.180 -2.799 -4.813
25 HH2 TRP 2 HH TRP 2 -12.583 -0.930 -5.518
26 H CYS 3 H CYS 3 -6.138 -1.850 -2.457
27 HA CYS 3 HA CYS 3 -4.689 -3.626 -2.476
28 1HB CYS 3 2HB CYS 3 -2.907 -1.199 -2.397
29 2HB CYS 3 1HB CYS 3 -2.245 -2.821 -2.567
30 H PHE 4 H PHE 4 -2.485 -1.756 -0.481
31 HA PHE 4 HA PHE 4 -3.196 -2.976 1.988
32 1HB PHE 4 2HB PHE 4 -0.481 -3.846 1.631
33 2HB PHE 4 1HB PHE 4 -1.899 -4.802 2.036
34 HD1 PHE 4 1HD PHE 4 -2.426 -6.537 0.644
35 HD2 PHE 4 2HD PHE 4 -0.358 -3.178 -0.946
36 HE1 PHE 4 1HE PHE 4 -2.285 -7.663 -1.539
37 HE2 PHE 4 2HE PHE 4 -0.212 -4.294 -3.129
38 HZ PHE 4 HZ PHE 4 -1.177 -6.542 -3.431
39 H ARG 5 H ARG 5 -3.017 -0.398 1.340
40 HA ARG 5 HA ARG 5 -2.255 1.529 2.316
41 1HB ARG 5 2HB ARG 5 0.185 0.110 3.350
42 2HB ARG 5 1HB ARG 5 -0.606 1.544 3.989
43 1HG ARG 5 2HG ARG 5 -2.603 -0.223 4.251
44 2HG ARG 5 1HG ARG 5 -1.220 -1.307 4.404
45 1HD ARG 5 2HD ARG 5 -1.868 1.114 6.075
46 2HD ARG 5 1HD ARG 5 -1.790 -0.569 6.597
47 HE ARG 5 HE ARG 5 0.386 1.255 6.380
48 1HH1 ARG 5 1HH1 ARG 5 -0.469 -2.115 6.073
49 2HH1 ARG 5 2HH1 ARG 5 1.128 -2.682 6.424
50 1HH2 ARG 5 1HH2 ARG 5 2.490 0.510 6.839
51 2HH2 ARG 5 2HH2 ARG 5 2.809 -1.191 6.858
52 H VAL 6 H VAL 6 -1.949 1.338 -0.229
53 HA VAL 6 HA VAL 6 0.853 2.020 -0.834
54 HB VAL 6 HB VAL 6 0.340 1.486 -3.192
55 1HG1 VAL 6 1HG1 VAL 6 1.380 -0.255 -2.054
56 2HG1 VAL 6 2HG1 VAL 6 -0.021 -1.016 -2.812
57 3HG1 VAL 6 3HG1 VAL 6 -0.056 -0.613 -1.095
58 1HG2 VAL 6 1HG2 VAL 6 -2.340 0.686 -2.070
59 2HG2 VAL 6 2HG2 VAL 6 -1.758 0.208 -3.664
60 3HG2 VAL 6 3HG2 VAL 6 -2.012 1.913 -3.294
61 H CYS 7 H CYS 7 -0.410 3.072 -3.525
62 HA CYS 7 HA CYS 7 -0.285 5.767 -2.929
63 1HB CYS 7 2HB CYS 7 -1.319 4.186 -5.217
64 2HB CYS 7 1HB CYS 7 -1.821 5.870 -5.116
65 H TYR 8 H TYR 8 -1.831 7.402 -2.689
66 HA TYR 8 HA TYR 8 -3.779 8.343 -1.955
67 1HB TYR 8 2HB TYR 8 -4.773 6.673 -3.685
68 2HB TYR 8 1HB TYR 8 -5.191 5.699 -2.280
69 HD1 TYR 8 1HD TYR 8 -7.461 5.828 -1.932
70 HD2 TYR 8 2HD TYR 8 -5.348 9.383 -2.924
71 HE1 TYR 8 1HE TYR 8 -9.520 7.126 -1.624
72 HE2 TYR 8 2HE TYR 8 -7.405 10.696 -2.619
73 HH TYR 8 HH TYR 8 -10.488 9.233 -2.290
74 H ARG 9 H ARG 9 -5.729 6.332 -0.472
75 HA ARG 9 HA ARG 9 -5.177 6.884 2.103
76 1HB ARG 9 2HB ARG 9 -6.045 4.326 2.444
77 2HB ARG 9 1HB ARG 9 -7.094 5.698 2.140
78 1HG ARG 9 2HG ARG 9 -6.289 4.735 -0.384
79 2HG ARG 9 1HG ARG 9 -6.705 3.330 0.592
80 1HD ARG 9 2HD ARG 9 -8.417 5.681 -0.143
81 2HD ARG 9 1HD ARG 9 -8.715 3.968 -0.429
82 HE ARG 9 HE ARG 9 -9.409 5.455 1.892
83 1HH1 ARG 9 1HH1 ARG 9 -8.371 2.295 0.836
84 2HH1 ARG 9 2HH1 ARG 9 -9.092 1.472 2.177
85 1HH2 ARG 9 1HH2 ARG 9 -10.357 4.374 3.657
86 2HH2 ARG 9 2HH2 ARG 9 -10.220 2.651 3.778
87 H GLY 10 H GLY 10 -2.979 6.984 2.550
88 1HA GLY 10 2HA GLY 10 -1.615 5.396 4.037
89 2HA GLY 10 1HA GLY 10 -1.522 4.424 2.577
90 H ILE 11 H ILE 11 -0.649 5.629 0.616
91 HA ILE 11 HA ILE 11 0.892 7.934 0.812
92 HB ILE 11 HB ILE 11 3.178 6.464 0.594
93 1HG1 ILE 11 2HG1 ILE 11 3.336 4.817 2.289
94 2HG1 ILE 11 1HG1 ILE 11 1.794 5.269 2.995
95 1HG2 ILE 11 1HG2 ILE 11 1.928 8.186 2.587
96 2HG2 ILE 11 2HG2 ILE 11 3.547 8.235 1.891
97 3HG2 ILE 11 3HG2 ILE 11 3.197 7.147 3.233
98 1HD1 ILE 11 1HD1 ILE 11 1.225 4.456 0.375
99 2HD1 ILE 11 2HD1 ILE 11 0.876 3.604 1.876
100 3HD1 ILE 11 3HD1 ILE 11 2.383 3.291 1.016
101 H CYS 12 H CYS 12 2.628 5.262 -0.647
102 HA CYS 12 HA CYS 12 1.333 5.002 -3.069
103 1HB CYS 12 2HB CYS 12 2.760 7.531 -2.836
104 2HB CYS 12 1HB CYS 12 3.311 6.573 -4.208
105 H TYR 13 H TYR 13 2.434 3.030 -1.940
106 HA TYR 13 HA TYR 13 5.131 2.725 -3.056
107 1HB TYR 13 2HB TYR 13 5.666 1.216 -1.408
108 2HB TYR 13 1HB TYR 13 4.529 2.231 -0.542
109 HD1 TYR 13 1HD TYR 13 4.948 -1.040 -2.219
110 HD2 TYR 13 2HD TYR 13 2.525 1.344 0.335
111 HE1 TYR 13 1HE TYR 13 3.657 -3.037 -1.593
112 HE2 TYR 13 2HE TYR 13 1.221 -0.644 0.967
113 HH TYR 13 HH TYR 13 0.859 -2.819 0.577
114 H ARG 14 H ARG 14 4.795 2.259 -5.114
115 HA ARG 14 HA ARG 14 2.731 0.782 -6.220
116 1HB ARG 14 2HB ARG 14 5.515 0.920 -7.365
117 2HB ARG 14 1HB ARG 14 3.998 0.757 -8.238
118 1HG ARG 14 2HG ARG 14 3.900 3.136 -6.660
119 2HG ARG 14 1HG ARG 14 5.399 3.118 -7.591
120 1HD ARG 14 2HD ARG 14 3.538 4.200 -8.796
121 2HD ARG 14 1HD ARG 14 4.171 2.788 -9.643
122 HE ARG 14 HE ARG 14 1.943 2.154 -7.969
123 1HH1 ARG 14 1HH1 ARG 14 2.854 3.431 -11.086
124 2HH1 ARG 14 2HH1 ARG 14 1.363 2.985 -11.845
125 1HH2 ARG 14 1HH2 ARG 14 -0.020 1.567 -8.965
126 2HH2 ARG 14 2HH2 ARG 14 -0.270 1.928 -10.640
127 H ARG 15 H ARG 15 2.189 -1.250 -5.975
128 HA ARG 15 HA ARG 15 4.097 -3.367 -6.274
129 1HB ARG 15 2HB ARG 15 3.158 -2.571 -3.605
130 2HB ARG 15 1HB ARG 15 2.992 -4.284 -3.954
131 1HG ARG 15 2HG ARG 15 5.587 -2.949 -4.533
132 2HG ARG 15 1HG ARG 15 5.171 -3.336 -2.863
133 1HD ARG 15 2HD ARG 15 4.897 -5.417 -4.990
134 2HD ARG 15 1HD ARG 15 6.484 -5.054 -4.317
135 HE ARG 15 HE ARG 15 5.784 -5.893 -2.245
136 1HH1 ARG 15 1HH1 ARG 15 3.241 -6.100 -4.639
137 2HH1 ARG 15 2HH1 ARG 15 2.303 -7.222 -3.716
138 1HH2 ARG 15 1HH2 ARG 15 4.544 -7.368 -1.041
139 2HH2 ARG 15 2HH2 ARG 15 3.039 -7.941 -1.678
140 H CYS 16 H CYS 16 1.197 -3.722 -4.377
141 HA CYS 16 HA CYS 16 -0.519 -5.243 -4.735
142 1HB CYS 16 2HB CYS 16 -0.925 -2.724 -5.784
143 2HB CYS 16 1HB CYS 16 -1.432 -3.784 -7.094
144 H ARG 17 H ARG 17 1.289 -6.786 -5.580
145 HA ARG 17 HA ARG 17 0.333 -7.812 -8.153
146 1HB ARG 17 2HB ARG 17 2.472 -6.524 -8.464
147 2HB ARG 17 1HB ARG 17 3.262 -7.699 -7.423
148 1HG ARG 17 2HG ARG 17 2.852 -9.461 -8.981
149 2HG ARG 17 1HG ARG 17 1.837 -8.414 -9.974
150 1HD ARG 17 2HD ARG 17 3.605 -7.625 -11.071
151 2HD ARG 17 1HD ARG 17 4.433 -7.231 -9.565
152 HE ARG 17 HE ARG 17 4.614 -9.993 -9.977
153 1HH1 ARG 17 1HH1 ARG 17 5.778 -7.021 -11.389
154 2HH1 ARG 17 2HH1 ARG 17 7.233 -7.736 -12.000
155 1HH2 ARG 17 1HH2 ARG 17 6.526 -10.933 -10.779
156 2HH2 ARG 17 2HH2 ARG 17 7.657 -9.956 -11.656
Start of MODEL 12
1 1H LYS 1 1HT LYS 1 1.833 2.312 3.500
2 2H LYS 1 2HT LYS 1 1.180 2.614 1.942
3 3H LYS 1 3HT LYS 1 1.832 1.072 2.318
4 HA LYS 1 HA LYS 1 -0.513 2.295 3.604
5 1HB LYS 1 2HB LYS 1 -0.189 0.288 1.374
6 2HB LYS 1 1HB LYS 1 -1.672 0.417 2.309
7 1HG LYS 1 2HG LYS 1 -0.610 2.907 1.109
8 2HG LYS 1 1HG LYS 1 -1.304 1.707 0.020
9 1HD LYS 1 2HD LYS 1 -2.962 3.370 0.773
10 2HD LYS 1 1HD LYS 1 -3.382 1.728 1.261
11 1HE LYS 1 2HE LYS 1 -3.775 3.286 3.083
12 2HE LYS 1 1HE LYS 1 -2.476 2.168 3.495
13 1HZ LYS 1 1HZ LYS 1 -0.922 3.977 2.703
14 2HZ LYS 1 2HZ LYS 1 -1.738 4.278 4.153
15 3HZ LYS 1 3HZ LYS 1 -2.255 5.016 2.724
16 H TRP 2 H TRP 2 -1.727 0.722 4.862
17 HA TRP 2 HA TRP 2 -0.316 -0.535 6.823
18 1HB TRP 2 2HB TRP 2 -2.514 -2.182 6.695
19 2HB TRP 2 1HB TRP 2 -2.448 -0.636 7.532
20 HD1 TRP 2 HD TRP 2 -3.759 1.402 6.457
21 HE1 TRP 2 1HE TRP 2 -5.564 1.541 4.627
22 HE3 TRP 2 3HE TRP 2 -3.256 -3.279 4.460
23 HZ2 TRP 2 2HZ TRP 2 -6.632 -0.113 2.607
24 HZ3 TRP 2 3HZ TRP 2 -4.709 -3.921 2.582
25 HH2 TRP 2 HH TRP 2 -6.362 -2.370 1.675
26 H CYS 3 H CYS 3 -1.244 -1.882 3.745
27 HA CYS 3 HA CYS 3 0.890 -3.634 3.524
28 1HB CYS 3 2HB CYS 3 -0.633 -4.685 5.451
29 2HB CYS 3 1HB CYS 3 -1.488 -5.345 4.061
30 H PHE 4 H PHE 4 1.078 -3.897 1.412
31 HA PHE 4 HA PHE 4 0.599 -3.948 -0.807
32 1HB PHE 4 2HB PHE 4 -0.958 -5.948 0.463
33 2HB PHE 4 1HB PHE 4 -1.984 -5.202 -0.756
34 HD1 PHE 4 1HD PHE 4 -0.344 -8.003 -0.395
35 HD2 PHE 4 2HD PHE 4 -0.076 -4.549 -2.867
36 HE1 PHE 4 1HE PHE 4 0.769 -9.339 -2.136
37 HE2 PHE 4 2HE PHE 4 1.035 -5.879 -4.613
38 HZ PHE 4 HZ PHE 4 1.459 -8.278 -4.248
39 H ARG 5 H ARG 5 -1.806 -3.800 -2.223
40 HA ARG 5 HA ARG 5 -3.081 -2.127 -3.142
41 1HB ARG 5 2HB ARG 5 -4.226 -1.183 -0.642
42 2HB ARG 5 1HB ARG 5 -4.997 -2.026 -1.976
43 1HG ARG 5 2HG ARG 5 -3.335 -3.518 0.030
44 2HG ARG 5 1HG ARG 5 -5.018 -3.105 0.355
45 1HD ARG 5 2HD ARG 5 -4.614 -5.386 -0.640
46 2HD ARG 5 1HD ARG 5 -5.795 -4.380 -1.471
47 HE ARG 5 HE ARG 5 -4.023 -3.886 -3.110
48 1HH1 ARG 5 1HH1 ARG 5 -3.700 -6.750 -1.123
49 2HH1 ARG 5 2HH1 ARG 5 -2.683 -7.565 -2.257
50 1HH2 ARG 5 1HH2 ARG 5 -2.684 -4.968 -4.592
51 2HH2 ARG 5 2HH2 ARG 5 -2.105 -6.559 -4.222
52 H VAL 6 H VAL 6 -0.485 -1.285 -2.597
53 HA VAL 6 HA VAL 6 0.076 0.887 -1.129
54 HB VAL 6 HB VAL 6 1.611 1.645 -2.900
55 1HG1 VAL 6 1HG1 VAL 6 2.426 -0.080 -1.498
56 2HG1 VAL 6 2HG1 VAL 6 2.832 -0.553 -3.148
57 3HG1 VAL 6 3HG1 VAL 6 1.466 -1.305 -2.328
58 1HG2 VAL 6 1HG2 VAL 6 0.197 1.279 -4.839
59 2HG2 VAL 6 2HG2 VAL 6 0.242 -0.464 -4.569
60 3HG2 VAL 6 3HG2 VAL 6 1.714 0.398 -5.019
61 H CYS 7 H CYS 7 0.268 3.169 -1.663
62 HA CYS 7 HA CYS 7 -0.518 5.197 -2.271
63 1HB CYS 7 2HB CYS 7 -1.381 3.532 -4.484
64 2HB CYS 7 1HB CYS 7 -2.512 4.845 -4.173
65 H TYR 8 H TYR 8 -2.097 6.551 -1.574
66 HA TYR 8 HA TYR 8 -4.225 7.168 -0.818
67 1HB TYR 8 2HB TYR 8 -5.138 4.954 -1.720
68 2HB TYR 8 1HB TYR 8 -4.770 4.273 -0.140
69 HD1 TYR 8 1HD TYR 8 -6.320 4.419 1.585
70 HD2 TYR 8 2HD TYR 8 -6.707 7.006 -1.771
71 HE1 TYR 8 1HE TYR 8 -8.489 5.194 2.442
72 HE2 TYR 8 2HE TYR 8 -8.880 7.789 -0.925
73 HH TYR 8 HH TYR 8 -10.500 6.240 1.690
74 H ARG 9 H ARG 9 -5.281 6.973 1.466
75 HA ARG 9 HA ARG 9 -4.829 7.618 3.630
76 1HB ARG 9 2HB ARG 9 -4.917 4.853 3.251
77 2HB ARG 9 1HB ARG 9 -3.560 5.105 4.341
78 1HG ARG 9 2HG ARG 9 -5.677 4.701 5.519
79 2HG ARG 9 1HG ARG 9 -4.974 6.272 5.904
80 1HD ARG 9 2HD ARG 9 -6.608 6.779 3.724
81 2HD ARG 9 1HD ARG 9 -7.526 5.621 4.687
82 HE ARG 9 HE ARG 9 -7.080 8.348 5.298
83 1HH1 ARG 9 1HH1 ARG 9 -7.341 5.206 6.793
84 2HH1 ARG 9 2HH1 ARG 9 -7.875 5.835 8.315
85 1HH2 ARG 9 1HH2 ARG 9 -7.780 9.179 7.303
86 2HH2 ARG 9 2HH2 ARG 9 -8.124 8.090 8.604
87 H GLY 10 H GLY 10 -2.716 8.492 1.964
88 1HA GLY 10 2HA GLY 10 -0.850 9.448 3.626
89 2HA GLY 10 1HA GLY 10 -0.249 7.824 3.345
90 H ILE 11 H ILE 11 -0.112 7.226 0.930
91 HA ILE 11 HA ILE 11 0.177 9.268 -1.000
92 HB ILE 11 HB ILE 11 2.870 8.595 -1.020
93 1HG1 ILE 11 2HG1 ILE 11 3.763 9.178 1.156
94 2HG1 ILE 11 1HG1 ILE 11 2.152 9.439 1.800
95 1HG2 ILE 11 1HG2 ILE 11 1.425 10.795 -1.336
96 2HG2 ILE 11 2HG2 ILE 11 3.170 10.837 -1.084
97 3HG2 ILE 11 3HG2 ILE 11 2.076 11.137 0.266
98 1HD1 ILE 11 1HD1 ILE 11 3.642 6.934 1.351
99 2HD1 ILE 11 2HD1 ILE 11 1.906 6.883 1.052
100 3HD1 ILE 11 3HD1 ILE 11 2.514 7.373 2.631
101 H CYS 12 H CYS 12 2.608 6.730 -0.702
102 HA CYS 12 HA CYS 12 1.203 4.745 -2.149
103 1HB CYS 12 2HB CYS 12 2.145 6.750 -3.799
104 2HB CYS 12 1HB CYS 12 3.431 5.544 -3.866
105 H TYR 13 H TYR 13 2.027 2.916 -1.422
106 HA TYR 13 HA TYR 13 4.788 2.919 -0.456
107 1HB TYR 13 2HB TYR 13 2.380 1.834 0.562
108 2HB TYR 13 1HB TYR 13 3.402 0.471 0.117
109 HD1 TYR 13 1HD TYR 13 3.332 3.597 2.115
110 HD2 TYR 13 2HD TYR 13 5.216 -0.158 1.460
111 HE1 TYR 13 1HE TYR 13 4.623 3.892 4.186
112 HE2 TYR 13 2HE TYR 13 6.513 0.122 3.531
113 HH TYR 13 HH TYR 13 7.204 2.616 4.946
114 H ARG 14 H ARG 14 5.806 0.612 -0.665
115 HA ARG 14 HA ARG 14 5.196 -0.672 -3.190
116 1HB ARG 14 2HB ARG 14 8.052 0.091 -2.921
117 2HB ARG 14 1HB ARG 14 7.074 -0.109 -4.364
118 1HG ARG 14 2HG ARG 14 7.567 2.167 -4.317
119 2HG ARG 14 1HG ARG 14 5.926 2.082 -3.679
120 1HD ARG 14 2HD ARG 14 7.702 3.555 -2.484
121 2HD ARG 14 1HD ARG 14 6.602 2.571 -1.523
122 HE ARG 14 HE ARG 14 8.408 1.425 -0.746
123 1HH1 ARG 14 1HH1 ARG 14 9.304 2.968 -3.746
124 2HH1 ARG 14 2HH1 ARG 14 10.962 2.482 -3.647
125 1HH2 ARG 14 1HH2 ARG 14 10.591 0.783 -0.614
126 2HH2 ARG 14 2HH2 ARG 14 11.693 1.241 -1.869
127 H ARG 15 H ARG 15 5.272 -1.327 -0.301
128 HA ARG 15 HA ARG 15 6.104 -3.940 -0.367
129 1HB ARG 15 2HB ARG 15 8.335 -2.081 0.039
130 2HB ARG 15 1HB ARG 15 8.217 -3.311 1.290
131 1HG ARG 15 2HG ARG 15 7.934 -4.352 -1.428
132 2HG ARG 15 1HG ARG 15 9.498 -3.606 -1.094
133 1HD ARG 15 2HD ARG 15 10.134 -5.294 0.223
134 2HD ARG 15 1HD ARG 15 8.590 -5.318 1.074
135 HE ARG 15 HE ARG 15 7.995 -6.470 -1.294
136 1HH1 ARG 15 1HH1 ARG 15 10.488 -7.066 1.075
137 2HH1 ARG 15 2HH1 ARG 15 10.593 -8.757 0.722
138 1HH2 ARG 15 1HH2 ARG 15 8.131 -8.695 -1.758
139 2HH2 ARG 15 2HH2 ARG 15 9.255 -9.683 -0.887
140 H CYS 16 H CYS 16 4.975 -4.820 1.250
141 HA CYS 16 HA CYS 16 4.028 -3.189 3.420
142 1HB CYS 16 2HB CYS 16 2.553 -4.872 2.445
143 2HB CYS 16 1HB CYS 16 3.687 -6.149 2.878
144 H ARG 17 H ARG 17 6.438 -2.825 3.967
145 HA ARG 17 HA ARG 17 6.965 -3.966 6.455
146 1HB ARG 17 2HB ARG 17 9.108 -5.203 5.787
147 2HB ARG 17 1HB ARG 17 7.579 -6.016 5.491
148 1HG ARG 17 2HG ARG 17 7.771 -4.979 3.123
149 2HG ARG 17 1HG ARG 17 9.476 -4.792 3.539
150 1HD ARG 17 2HD ARG 17 8.929 -6.905 2.322
151 2HD ARG 17 1HD ARG 17 9.726 -7.140 3.877
152 HE ARG 17 HE ARG 17 7.838 -8.176 4.660
153 1HH1 ARG 17 1HH1 ARG 17 7.080 -6.522 1.681
154 2HH1 ARG 17 2HH1 ARG 17 5.502 -7.222 1.548
155 1HH2 ARG 17 1HH2 ARG 17 5.763 -9.099 4.485
156 2HH2 ARG 17 2HH2 ARG 17 4.753 -8.685 3.140
Start of MODEL 13
1 1H LYS 1 1HT LYS 1 -8.446 1.012 6.766
2 2H LYS 1 2HT LYS 1 -8.518 -0.701 6.796
3 3H LYS 1 3HT LYS 1 -9.038 0.158 5.403
4 HA LYS 1 HA LYS 1 -6.724 1.053 5.286
5 1HB LYS 1 2HB LYS 1 -6.191 -1.382 6.991
6 2HB LYS 1 1HB LYS 1 -5.023 -0.193 6.427
7 1HG LYS 1 2HG LYS 1 -6.709 1.394 7.817
8 2HG LYS 1 1HG LYS 1 -6.852 -0.112 8.725
9 1HD LYS 1 2HD LYS 1 -4.284 1.332 8.067
10 2HD LYS 1 1HD LYS 1 -5.081 1.296 9.640
11 1HE LYS 1 2HE LYS 1 -4.792 -1.383 8.844
12 2HE LYS 1 1HE LYS 1 -3.260 -0.594 8.477
13 1HZ LYS 1 1HZ LYS 1 -3.743 0.362 10.913
14 2HZ LYS 1 2HZ LYS 1 -2.851 -1.047 10.626
15 3HZ LYS 1 3HZ LYS 1 -4.487 -1.152 11.046
16 H TRP 2 H TRP 2 -6.545 0.559 3.202
17 HA TRP 2 HA TRP 2 -7.446 -1.887 2.083
18 1HB TRP 2 2HB TRP 2 -5.808 0.373 0.946
19 2HB TRP 2 1HB TRP 2 -6.305 -1.020 -0.006
20 HD1 TRP 2 HD TRP 2 -7.723 2.097 1.708
21 HE1 TRP 2 1HE TRP 2 -10.078 2.548 0.773
22 HE3 TRP 2 3HE TRP 2 -8.314 -2.144 -1.084
23 HZ2 TRP 2 2HZ TRP 2 -11.939 1.276 -0.925
24 HZ3 TRP 2 3HZ TRP 2 -10.412 -2.450 -2.335
25 HH2 TRP 2 HH TRP 2 -12.186 -0.775 -2.254
26 H CYS 3 H CYS 3 -4.616 -1.230 3.762
27 HA CYS 3 HA CYS 3 -2.759 -2.468 4.184
28 1HB CYS 3 2HB CYS 3 -3.880 -4.503 4.279
29 2HB CYS 3 1HB CYS 3 -4.351 -4.446 2.589
30 H PHE 4 H PHE 4 -3.582 -2.953 0.740
31 HA PHE 4 HA PHE 4 -1.129 -3.215 -0.357
32 1HB PHE 4 2HB PHE 4 -3.717 -2.498 -1.289
33 2HB PHE 4 1HB PHE 4 -2.560 -1.414 -2.048
34 HD1 PHE 4 1HD PHE 4 -1.886 -4.913 -1.071
35 HD2 PHE 4 2HD PHE 4 -2.698 -2.217 -4.262
36 HE1 PHE 4 1HE PHE 4 -1.317 -6.670 -2.697
37 HE2 PHE 4 2HE PHE 4 -2.127 -3.968 -5.892
38 HZ PHE 4 HZ PHE 4 -1.435 -6.198 -5.111
39 H ARG 5 H ARG 5 -2.478 -0.306 0.951
40 HA ARG 5 HA ARG 5 -1.722 1.875 1.003
41 1HB ARG 5 2HB ARG 5 0.535 2.008 2.058
42 2HB ARG 5 1HB ARG 5 -0.576 0.912 2.869
43 1HG ARG 5 2HG ARG 5 0.497 -0.992 1.816
44 2HG ARG 5 1HG ARG 5 1.579 0.085 0.939
45 1HD ARG 5 2HD ARG 5 2.793 -0.736 2.803
46 2HD ARG 5 1HD ARG 5 2.376 0.937 3.164
47 HE ARG 5 HE ARG 5 1.382 -1.443 4.489
48 1HH1 ARG 5 1HH1 ARG 5 1.034 2.001 4.009
49 2HH1 ARG 5 2HH1 ARG 5 0.128 2.234 5.464
50 1HH2 ARG 5 1HH2 ARG 5 0.192 -1.130 6.402
51 2HH2 ARG 5 2HH2 ARG 5 -0.349 0.460 6.822
52 H VAL 6 H VAL 6 -1.590 0.836 -1.643
53 HA VAL 6 HA VAL 6 0.866 2.108 -2.649
54 HB VAL 6 HB VAL 6 0.173 0.929 -4.844
55 1HG1 VAL 6 1HG1 VAL 6 1.158 -0.728 -2.524
56 2HG1 VAL 6 2HG1 VAL 6 2.141 0.400 -3.451
57 3HG1 VAL 6 3HG1 VAL 6 1.455 -1.021 -4.236
58 1HG2 VAL 6 1HG2 VAL 6 -1.415 -0.663 -4.841
59 2HG2 VAL 6 2HG2 VAL 6 -2.029 0.210 -3.437
60 3HG2 VAL 6 3HG2 VAL 6 -1.008 -1.211 -3.215
61 H CYS 7 H CYS 7 -0.147 4.166 -2.306
62 HA CYS 7 HA CYS 7 -0.848 6.095 -3.292
63 1HB CYS 7 2HB CYS 7 -2.032 4.374 -5.480
64 2HB CYS 7 1HB CYS 7 -1.893 6.128 -5.500
65 H TYR 8 H TYR 8 -2.080 4.932 -1.237
66 HA TYR 8 HA TYR 8 -4.788 5.950 -1.510
67 1HB TYR 8 2HB TYR 8 -5.886 3.989 -1.270
68 2HB TYR 8 1HB TYR 8 -4.361 3.191 -1.635
69 HD1 TYR 8 1HD TYR 8 -3.361 1.795 -0.045
70 HD2 TYR 8 2HD TYR 8 -6.370 4.527 1.197
71 HE1 TYR 8 1HE TYR 8 -3.330 0.800 2.207
72 HE2 TYR 8 2HE TYR 8 -6.348 3.541 3.451
73 HH TYR 8 HH TYR 8 -3.917 1.351 4.471
74 H ARG 9 H ARG 9 -5.620 6.699 0.476
75 HA ARG 9 HA ARG 9 -5.206 7.925 2.370
76 1HB ARG 9 2HB ARG 9 -6.141 5.555 2.858
77 2HB ARG 9 1HB ARG 9 -4.576 5.297 3.607
78 1HG ARG 9 2HG ARG 9 -6.396 7.576 4.325
79 2HG ARG 9 1HG ARG 9 -6.421 6.011 5.142
80 1HD ARG 9 2HD ARG 9 -4.395 6.340 6.130
81 2HD ARG 9 1HD ARG 9 -3.819 7.387 4.837
82 HE ARG 9 HE ARG 9 -4.541 9.169 6.053
83 1HH1 ARG 9 1HH1 ARG 9 -6.323 6.357 7.096
84 2HH1 ARG 9 2HH1 ARG 9 -7.157 7.201 8.358
85 1HH2 ARG 9 1HH2 ARG 9 -5.633 10.279 7.712
86 2HH2 ARG 9 2HH2 ARG 9 -6.767 9.427 8.708
87 H GLY 10 H GLY 10 -3.006 5.498 3.199
88 1HA GLY 10 2HA GLY 10 -1.084 7.065 4.390
89 2HA GLY 10 1HA GLY 10 -0.766 5.474 3.720
90 H ILE 11 H ILE 11 -0.309 5.404 1.335
91 HA ILE 11 HA ILE 11 0.423 7.702 -0.132
92 HB ILE 11 HB ILE 11 2.995 7.052 -0.027
93 1HG1 ILE 11 2HG1 ILE 11 2.659 6.839 2.875
94 2HG1 ILE 11 1HG1 ILE 11 2.045 5.438 2.003
95 1HG2 ILE 11 1HG2 ILE 11 1.526 9.183 0.753
96 2HG2 ILE 11 2HG2 ILE 11 3.283 9.086 0.862
97 3HG2 ILE 11 3HG2 ILE 11 2.292 8.726 2.275
98 1HD1 ILE 11 1HD1 ILE 11 4.327 5.049 2.637
99 2HD1 ILE 11 2HD1 ILE 11 4.833 6.559 1.875
100 3HD1 ILE 11 3HD1 ILE 11 4.237 5.229 0.884
101 H CYS 12 H CYS 12 2.367 6.922 -1.788
102 HA CYS 12 HA CYS 12 1.237 4.615 -3.131
103 1HB CYS 12 2HB CYS 12 3.278 6.680 -3.888
104 2HB CYS 12 1HB CYS 12 3.106 5.201 -4.831
105 H TYR 13 H TYR 13 2.032 3.517 -1.014
106 HA TYR 13 HA TYR 13 4.820 2.754 -1.061
107 1HB TYR 13 2HB TYR 13 3.419 3.204 1.024
108 2HB TYR 13 1HB TYR 13 2.676 1.636 0.729
109 HD1 TYR 13 1HD TYR 13 4.521 -0.275 0.215
110 HD2 TYR 13 2HD TYR 13 5.118 3.239 2.539
111 HE1 TYR 13 1HE TYR 13 6.392 -1.369 1.402
112 HE2 TYR 13 2HE TYR 13 6.974 2.168 3.722
113 HH TYR 13 HH TYR 13 8.540 -0.479 2.673
114 H ARG 14 H ARG 14 5.363 1.351 -2.618
115 HA ARG 14 HA ARG 14 3.655 -0.626 -3.700
116 1HB ARG 14 2HB ARG 14 6.667 -0.468 -3.800
117 2HB ARG 14 1HB ARG 14 5.642 -1.427 -4.862
118 1HG ARG 14 2HG ARG 14 4.584 0.699 -5.638
119 2HG ARG 14 1HG ARG 14 5.791 1.577 -4.698
120 1HD ARG 14 2HD ARG 14 6.273 1.227 -7.176
121 2HD ARG 14 1HD ARG 14 7.556 0.813 -6.041
122 HE ARG 14 HE ARG 14 7.416 -1.344 -6.759
123 1HH1 ARG 14 1HH1 ARG 14 4.442 0.278 -7.588
124 2HH1 ARG 14 2HH1 ARG 14 3.803 -1.071 -8.466
125 1HH2 ARG 14 1HH2 ARG 14 6.580 -3.119 -7.915
126 2HH2 ARG 14 2HH2 ARG 14 5.017 -3.000 -8.652
127 H ARG 15 H ARG 15 3.065 -1.347 -1.379
128 HA ARG 15 HA ARG 15 3.694 -3.983 -1.007
129 1HB ARG 15 2HB ARG 15 5.908 -2.458 -0.217
130 2HB ARG 15 1HB ARG 15 5.113 -2.902 1.285
131 1HG ARG 15 2HG ARG 15 6.067 -4.890 1.174
132 2HG ARG 15 1HG ARG 15 5.162 -5.223 -0.304
133 1HD ARG 15 2HD ARG 15 7.123 -5.336 -1.350
134 2HD ARG 15 1HD ARG 15 7.250 -3.592 -1.132
135 HE ARG 15 HE ARG 15 8.221 -4.542 1.190
136 1HH1 ARG 15 1HH1 ARG 15 8.935 -5.308 -2.139
137 2HH1 ARG 15 2HH1 ARG 15 10.583 -5.732 -1.818
138 1HH2 ARG 15 1HH2 ARG 15 10.387 -5.098 1.613
139 2HH2 ARG 15 2HH2 ARG 15 11.407 -5.614 0.312
140 H CYS 16 H CYS 16 3.639 -4.253 1.801
141 HA CYS 16 HA CYS 16 1.427 -2.594 2.721
142 1HB CYS 16 2HB CYS 16 0.348 -4.515 1.601
143 2HB CYS 16 1HB CYS 16 1.232 -5.614 2.655
144 H ARG 17 H ARG 17 3.756 -2.195 3.760
145 HA ARG 17 HA ARG 17 4.690 -3.900 5.773
146 1HB ARG 17 2HB ARG 17 5.951 -1.973 4.851
147 2HB ARG 17 1HB ARG 17 4.856 -0.882 5.687
148 1HG ARG 17 2HG ARG 17 6.190 -0.955 7.448
149 2HG ARG 17 1HG ARG 17 5.808 -2.668 7.632
150 1HD ARG 17 2HD ARG 17 8.218 -2.318 7.522
151 2HD ARG 17 1HD ARG 17 7.650 -3.240 6.131
152 HE ARG 17 HE ARG 17 8.292 -1.518 4.762
153 1HH1 ARG 17 1HH1 ARG 17 8.278 -0.401 8.068
154 2HH1 ARG 17 2HH1 ARG 17 9.036 1.110 7.692
155 1HH2 ARG 17 1HH2 ARG 17 9.288 0.469 4.265
156 2HH2 ARG 17 2HH2 ARG 17 9.609 1.604 5.533
Start of MODEL 14
1 1H LYS 1 1HT LYS 1 -3.714 3.699 4.792
2 2H LYS 1 2HT LYS 1 -2.748 3.819 6.205
3 3H LYS 1 3HT LYS 1 -4.161 4.779 6.047
4 HA LYS 1 HA LYS 1 -4.379 2.859 7.528
5 1HB LYS 1 2HB LYS 1 -6.109 4.014 5.726
6 2HB LYS 1 1HB LYS 1 -6.290 2.303 5.369
7 1HG LYS 1 2HG LYS 1 -7.940 2.939 6.978
8 2HG LYS 1 1HG LYS 1 -6.752 1.901 7.770
9 1HD LYS 1 2HD LYS 1 -5.684 4.367 8.198
10 2HD LYS 1 1HD LYS 1 -7.413 4.724 8.242
11 1HE LYS 1 2HE LYS 1 -6.419 4.156 10.460
12 2HE LYS 1 1HE LYS 1 -7.771 3.129 9.982
13 1HZ LYS 1 1HZ LYS 1 -5.584 2.103 10.930
14 2HZ LYS 1 2HZ LYS 1 -5.046 2.259 9.334
15 3HZ LYS 1 3HZ LYS 1 -6.419 1.333 9.676
16 H TRP 2 H TRP 2 -5.711 0.589 6.751
17 HA TRP 2 HA TRP 2 -5.199 -1.629 6.472
18 1HB TRP 2 2HB TRP 2 -4.044 -0.912 3.802
19 2HB TRP 2 1HB TRP 2 -5.108 -2.247 4.235
20 HD1 TRP 2 HD TRP 2 -5.140 1.286 2.957
21 HE1 TRP 2 1HE TRP 2 -7.565 2.012 2.481
22 HE3 TRP 2 3HE TRP 2 -7.600 -2.620 5.150
23 HZ2 TRP 2 2HZ TRP 2 -10.176 1.053 2.970
24 HZ3 TRP 2 3HZ TRP 2 -10.061 -2.642 5.102
25 HH2 TRP 2 HH TRP 2 -11.319 -0.842 4.036
26 H CYS 3 H CYS 3 -3.217 -2.913 4.950
27 HA CYS 3 HA CYS 3 -1.031 -2.808 6.773
28 1HB CYS 3 2HB CYS 3 0.061 -4.301 4.892
29 2HB CYS 3 1HB CYS 3 -1.217 -4.940 5.914
30 H PHE 4 H PHE 4 -1.279 -2.030 3.315
31 HA PHE 4 HA PHE 4 0.739 0.049 3.675
32 1HB PHE 4 2HB PHE 4 1.092 -2.418 2.184
33 2HB PHE 4 1HB PHE 4 1.347 -1.001 1.179
34 HD1 PHE 4 1HD PHE 4 2.244 -2.147 4.619
35 HD2 PHE 4 2HD PHE 4 3.506 -0.290 1.001
36 HE1 PHE 4 1HE PHE 4 4.516 -1.922 5.535
37 HE2 PHE 4 2HE PHE 4 5.782 -0.065 1.918
38 HZ PHE 4 HZ PHE 4 6.289 -0.881 4.182
39 H ARG 5 H ARG 5 -1.212 -1.518 1.197
40 HA ARG 5 HA ARG 5 -2.450 -0.689 -0.535
41 1HB ARG 5 2HB ARG 5 -3.405 0.374 1.934
42 2HB ARG 5 1HB ARG 5 -3.592 1.610 0.698
43 1HG ARG 5 2HG ARG 5 -4.687 -1.191 0.633
44 2HG ARG 5 1HG ARG 5 -5.599 0.306 0.825
45 1HD ARG 5 2HD ARG 5 -5.884 0.226 -1.390
46 2HD ARG 5 1HD ARG 5 -4.202 0.742 -1.498
47 HE ARG 5 HE ARG 5 -4.325 -2.064 -1.253
48 1HH1 ARG 5 1HH1 ARG 5 -4.980 0.484 -3.548
49 2HH1 ARG 5 2HH1 ARG 5 -4.701 -0.518 -4.930
50 1HH2 ARG 5 1HH2 ARG 5 -3.960 -3.384 -3.071
51 2HH2 ARG 5 2HH2 ARG 5 -4.122 -2.714 -4.661
52 H VAL 6 H VAL 6 -0.930 0.013 -1.996
53 HA VAL 6 HA VAL 6 0.615 2.310 -1.824
54 HB VAL 6 HB VAL 6 0.528 2.220 -4.428
55 1HG1 VAL 6 1HG1 VAL 6 1.672 0.154 -2.580
56 2HG1 VAL 6 2HG1 VAL 6 2.484 1.520 -3.347
57 3HG1 VAL 6 3HG1 VAL 6 2.002 0.125 -4.312
58 1HG2 VAL 6 1HG2 VAL 6 -0.414 0.389 -5.456
59 2HG2 VAL 6 2HG2 VAL 6 -1.598 0.709 -4.189
60 3HG2 VAL 6 3HG2 VAL 6 -0.410 -0.578 -3.981
61 H CYS 7 H CYS 7 0.294 3.957 -3.872
62 HA CYS 7 HA CYS 7 -0.765 6.131 -3.539
63 1HB CYS 7 2HB CYS 7 -1.848 4.503 -5.831
64 2HB CYS 7 1HB CYS 7 -2.036 6.250 -5.694
65 H TYR 8 H TYR 8 -1.877 5.735 -1.510
66 HA TYR 8 HA TYR 8 -4.516 6.586 -1.591
67 1HB TYR 8 2HB TYR 8 -4.405 3.870 -2.176
68 2HB TYR 8 1HB TYR 8 -4.807 3.909 -0.463
69 HD1 TYR 8 1HD TYR 8 -6.528 2.962 -2.857
70 HD2 TYR 8 2HD TYR 8 -6.341 6.620 -0.691
71 HE1 TYR 8 1HE TYR 8 -8.875 3.417 -3.431
72 HE2 TYR 8 2HE TYR 8 -8.687 7.083 -1.259
73 HH TYR 8 HH TYR 8 -10.813 5.111 -2.059
74 H ARG 9 H ARG 9 -5.536 5.512 0.752
75 HA ARG 9 HA ARG 9 -4.971 6.922 2.811
76 1HB ARG 9 2HB ARG 9 -4.928 3.907 3.013
77 2HB ARG 9 1HB ARG 9 -5.168 4.999 4.367
78 1HG ARG 9 2HG ARG 9 -6.973 5.145 1.991
79 2HG ARG 9 1HG ARG 9 -7.214 3.908 3.225
80 1HD ARG 9 2HD ARG 9 -6.801 6.593 4.306
81 2HD ARG 9 1HD ARG 9 -8.236 6.449 3.292
82 HE ARG 9 HE ARG 9 -7.947 5.473 5.916
83 1HH1 ARG 9 1HH1 ARG 9 -9.255 4.531 2.820
84 2HH1 ARG 9 2HH1 ARG 9 -10.467 3.503 3.506
85 1HH2 ARG 9 1HH2 ARG 9 -9.541 4.121 6.818
86 2HH2 ARG 9 2HH2 ARG 9 -10.631 3.271 5.774
87 H GLY 10 H GLY 10 -2.892 7.903 2.573
88 1HA GLY 10 2HA GLY 10 -0.981 7.900 4.186
89 2HA GLY 10 1HA GLY 10 -0.693 6.251 3.654
90 H ILE 11 H ILE 11 -0.112 5.946 1.368
91 HA ILE 11 HA ILE 11 0.725 8.110 -0.276
92 HB ILE 11 HB ILE 11 3.220 7.419 -0.160
93 1HG1 ILE 11 2HG1 ILE 11 2.939 6.971 2.726
94 2HG1 ILE 11 1HG1 ILE 11 2.293 5.661 1.743
95 1HG2 ILE 11 1HG2 ILE 11 3.659 9.310 1.019
96 2HG2 ILE 11 2HG2 ILE 11 2.486 8.932 2.280
97 3HG2 ILE 11 3HG2 ILE 11 1.938 9.556 0.723
98 1HD1 ILE 11 1HD1 ILE 11 4.600 5.226 2.331
99 2HD1 ILE 11 2HD1 ILE 11 5.092 6.762 1.618
100 3HD1 ILE 11 3HD1 ILE 11 4.451 5.480 0.593
101 H CYS 12 H CYS 12 2.620 7.017 -1.866
102 HA CYS 12 HA CYS 12 1.268 4.648 -2.889
103 1HB CYS 12 2HB CYS 12 3.426 6.347 -4.152
104 2HB CYS 12 1HB CYS 12 2.680 4.945 -4.913
105 H TYR 13 H TYR 13 2.111 3.389 -1.047
106 HA TYR 13 HA TYR 13 4.906 2.610 -1.507
107 1HB TYR 13 2HB TYR 13 3.987 3.536 0.808
108 2HB TYR 13 1HB TYR 13 3.560 1.836 1.021
109 HD1 TYR 13 1HD TYR 13 5.920 0.881 -0.766
110 HD2 TYR 13 2HD TYR 13 5.624 3.482 2.586
111 HE1 TYR 13 1HE TYR 13 8.265 0.371 -0.164
112 HE2 TYR 13 2HE TYR 13 7.951 2.990 3.198
113 HH TYR 13 HH TYR 13 9.603 1.145 2.828
114 H ARG 14 H ARG 14 5.026 0.887 -2.704
115 HA ARG 14 HA ARG 14 2.975 -1.106 -2.840
116 1HB ARG 14 2HB ARG 14 5.707 -1.513 -3.977
117 2HB ARG 14 1HB ARG 14 4.145 -1.976 -4.638
118 1HG ARG 14 2HG ARG 14 3.865 0.694 -4.715
119 2HG ARG 14 1HG ARG 14 5.620 0.579 -4.858
120 1HD ARG 14 2HD ARG 14 5.386 -0.913 -6.765
121 2HD ARG 14 1HD ARG 14 3.631 -0.872 -6.603
122 HE ARG 14 HE ARG 14 4.240 1.728 -6.902
123 1HH1 ARG 14 1HH1 ARG 14 5.170 -1.107 -8.715
124 2HH1 ARG 14 2HH1 ARG 14 5.323 -0.252 -10.212
125 1HH2 ARG 14 1HH2 ARG 14 4.440 2.853 -8.869
126 2HH2 ARG 14 2HH2 ARG 14 4.910 1.996 -10.301
127 H ARG 15 H ARG 15 2.701 -2.285 -1.052
128 HA ARG 15 HA ARG 15 4.233 -4.474 -0.447
129 1HB ARG 15 2HB ARG 15 5.470 -2.105 0.552
130 2HB ARG 15 1HB ARG 15 4.888 -3.023 1.930
131 1HG ARG 15 2HG ARG 15 6.831 -3.888 -0.187
132 2HG ARG 15 1HG ARG 15 7.106 -3.717 1.546
133 1HD ARG 15 2HD ARG 15 4.951 -5.537 1.149
134 2HD ARG 15 1HD ARG 15 6.287 -6.017 0.103
135 HE ARG 15 HE ARG 15 7.435 -5.538 2.541
136 1HH1 ARG 15 1HH1 ARG 15 4.895 -7.619 1.358
137 2HH1 ARG 15 2HH1 ARG 15 5.181 -8.849 2.542
138 1HH2 ARG 15 1HH2 ARG 15 7.814 -7.156 4.097
139 2HH2 ARG 15 2HH2 ARG 15 6.838 -8.587 4.098
140 H CYS 16 H CYS 16 3.938 -4.505 2.441
141 HA CYS 16 HA CYS 16 1.581 -3.671 3.515
142 1HB CYS 16 2HB CYS 16 1.119 -5.783 1.543
143 2HB CYS 16 1HB CYS 16 0.453 -6.160 3.127
144 H ARG 17 H ARG 17 3.840 -6.273 3.149
145 HA ARG 17 HA ARG 17 4.854 -7.671 4.632
146 1HB ARG 17 2HB ARG 17 4.620 -5.140 5.886
147 2HB ARG 17 1HB ARG 17 4.270 -6.350 7.113
148 1HG ARG 17 2HG ARG 17 6.432 -7.489 6.204
149 2HG ARG 17 1HG ARG 17 6.783 -5.876 5.581
150 1HD ARG 17 2HD ARG 17 7.387 -5.159 7.597
151 2HD ARG 17 1HD ARG 17 5.879 -5.731 8.311
152 HE ARG 17 HE ARG 17 8.438 -7.034 8.385
153 1HH1 ARG 17 1HH1 ARG 17 4.985 -7.507 8.573
154 2HH1 ARG 17 2HH1 ARG 17 5.110 -8.981 9.472
155 1HH2 ARG 17 1HH2 ARG 17 8.604 -8.973 9.567
156 2HH2 ARG 17 2HH2 ARG 17 7.166 -9.814 10.037
Start of MODEL 15
1 1H LYS 1 1HT LYS 1 -5.155 -1.367 1.364
2 2H LYS 1 2HT LYS 1 -5.006 -0.010 2.405
3 3H LYS 1 3HT LYS 1 -6.229 -0.040 1.200
4 HA LYS 1 HA LYS 1 -7.258 -0.486 3.218
5 1HB LYS 1 2HB LYS 1 -7.448 -2.041 1.033
6 2HB LYS 1 1HB LYS 1 -6.947 -3.259 2.196
7 1HG LYS 1 2HG LYS 1 -8.975 -1.780 3.447
8 2HG LYS 1 1HG LYS 1 -9.523 -2.075 1.796
9 1HD LYS 1 2HD LYS 1 -8.299 -4.394 3.123
10 2HD LYS 1 1HD LYS 1 -9.803 -3.829 3.854
11 1HE LYS 1 2HE LYS 1 -10.210 -5.540 2.152
12 2HE LYS 1 1HE LYS 1 -10.930 -3.993 1.708
13 1HZ LYS 1 1HZ LYS 1 -8.450 -5.206 0.626
14 2HZ LYS 1 2HZ LYS 1 -8.894 -3.598 0.341
15 3HZ LYS 1 3HZ LYS 1 -9.881 -4.857 -0.209
16 H TRP 2 H TRP 2 -5.286 -0.092 4.661
17 HA TRP 2 HA TRP 2 -4.109 -0.683 6.512
18 1HB TRP 2 2HB TRP 2 -5.560 -3.330 6.413
19 2HB TRP 2 1HB TRP 2 -4.860 -2.537 7.821
20 HD1 TRP 2 HD TRP 2 -6.398 0.275 6.350
21 HE1 TRP 2 1HE TRP 2 -8.812 0.653 7.159
22 HE3 TRP 2 3HE TRP 2 -7.331 -4.347 8.344
23 HZ2 TRP 2 2HZ TRP 2 -10.841 -0.806 8.465
24 HZ3 TRP 2 3HZ TRP 2 -9.534 -4.770 9.354
25 HH2 TRP 2 HH TRP 2 -11.252 -3.035 9.412
26 H CYS 3 H CYS 3 -3.355 -1.492 3.715
27 HA CYS 3 HA CYS 3 -0.830 -2.452 4.140
28 1HB CYS 3 2HB CYS 3 -0.865 -4.697 4.257
29 2HB CYS 3 1HB CYS 3 -2.587 -4.564 4.563
30 H PHE 4 H PHE 4 -3.605 -2.809 1.981
31 HA PHE 4 HA PHE 4 -1.965 -2.547 -0.377
32 1HB PHE 4 2HB PHE 4 -4.607 -3.457 0.214
33 2HB PHE 4 1HB PHE 4 -4.724 -2.183 -0.995
34 HD1 PHE 4 1HD PHE 4 -2.219 -2.611 -2.500
35 HD2 PHE 4 2HD PHE 4 -5.046 -5.401 -0.972
36 HE1 PHE 4 1HE PHE 4 -1.575 -4.216 -4.250
37 HE2 PHE 4 2HE PHE 4 -4.407 -7.012 -2.719
38 HZ PHE 4 HZ PHE 4 -2.668 -6.419 -4.360
39 H ARG 5 H ARG 5 -1.452 -0.393 1.146
40 HA ARG 5 HA ARG 5 -3.088 1.814 0.170
41 1HB ARG 5 2HB ARG 5 -0.728 2.488 1.785
42 2HB ARG 5 1HB ARG 5 -2.400 2.993 1.974
43 1HG ARG 5 2HG ARG 5 -2.222 1.787 3.870
44 2HG ARG 5 1HG ARG 5 -2.631 0.456 2.788
45 1HD ARG 5 2HD ARG 5 -0.755 -0.522 3.497
46 2HD ARG 5 1HD ARG 5 0.111 0.677 2.537
47 HE ARG 5 HE ARG 5 -0.385 1.886 4.955
48 1HH1 ARG 5 1HH1 ARG 5 1.285 -0.983 3.880
49 2HH1 ARG 5 2HH1 ARG 5 2.429 -0.957 5.179
50 1HH2 ARG 5 1HH2 ARG 5 1.119 1.924 6.665
51 2HH2 ARG 5 2HH2 ARG 5 2.335 0.693 6.762
52 H VAL 6 H VAL 6 -1.570 0.358 -1.715
53 HA VAL 6 HA VAL 6 0.849 1.759 -2.302
54 HB VAL 6 HB VAL 6 0.821 0.508 -4.427
55 1HG1 VAL 6 1HG1 VAL 6 1.708 -1.232 -3.348
56 2HG1 VAL 6 2HG1 VAL 6 0.162 -1.671 -2.622
57 3HG1 VAL 6 3HG1 VAL 6 1.180 -0.449 -1.857
58 1HG2 VAL 6 1HG2 VAL 6 -1.144 -1.369 -4.201
59 2HG2 VAL 6 2HG2 VAL 6 -1.228 0.056 -5.236
60 3HG2 VAL 6 3HG2 VAL 6 -1.973 0.083 -3.638
61 H CYS 7 H CYS 7 -0.185 3.859 -2.108
62 HA CYS 7 HA CYS 7 -0.333 5.828 -3.333
63 1HB CYS 7 2HB CYS 7 -1.655 4.191 -5.508
64 2HB CYS 7 1HB CYS 7 -1.299 5.912 -5.586
65 H TYR 8 H TYR 8 -1.842 4.912 -1.297
66 HA TYR 8 HA TYR 8 -4.249 6.435 -1.671
67 1HB TYR 8 2HB TYR 8 -4.969 4.216 -2.446
68 2HB TYR 8 1HB TYR 8 -4.432 3.502 -0.931
69 HD1 TYR 8 1HD TYR 8 -6.473 6.533 -1.749
70 HD2 TYR 8 2HD TYR 8 -6.251 2.816 0.309
71 HE1 TYR 8 1HE TYR 8 -8.694 6.946 -0.774
72 HE2 TYR 8 2HE TYR 8 -8.470 3.217 1.289
73 HH TYR 8 HH TYR 8 -10.440 4.505 0.924
74 H ARG 9 H ARG 9 -4.544 4.177 0.866
75 HA ARG 9 HA ARG 9 -4.618 5.940 2.922
76 1HB ARG 9 2HB ARG 9 -4.779 3.213 2.697
77 2HB ARG 9 1HB ARG 9 -3.348 3.412 3.696
78 1HG ARG 9 2HG ARG 9 -4.597 4.684 5.314
79 2HG ARG 9 1HG ARG 9 -6.030 4.643 4.284
80 1HD ARG 9 2HD ARG 9 -6.581 2.573 4.942
81 2HD ARG 9 1HD ARG 9 -4.916 2.002 4.845
82 HE ARG 9 HE ARG 9 -4.661 2.435 7.087
83 1HH1 ARG 9 1HH1 ARG 9 -7.620 3.906 5.959
84 2HH1 ARG 9 2HH1 ARG 9 -8.180 4.293 7.549
85 1HH2 ARG 9 1HH2 ARG 9 -5.400 2.945 9.179
86 2HH2 ARG 9 2HH2 ARG 9 -6.920 3.749 9.378
87 H GLY 10 H GLY 10 -3.044 7.549 2.777
88 1HA GLY 10 2HA GLY 10 -1.156 8.320 4.023
89 2HA GLY 10 1HA GLY 10 -0.446 6.724 3.868
90 H ILE 11 H ILE 11 -0.545 6.268 1.165
91 HA ILE 11 HA ILE 11 0.097 8.144 -0.689
92 HB ILE 11 HB ILE 11 2.737 7.925 -0.540
93 1HG1 ILE 11 2HG1 ILE 11 2.596 8.467 2.298
94 2HG1 ILE 11 1HG1 ILE 11 1.997 6.850 1.943
95 1HG2 ILE 11 1HG2 ILE 11 2.245 10.074 1.196
96 2HG2 ILE 11 2HG2 ILE 11 0.829 9.932 0.154
97 3HG2 ILE 11 3HG2 ILE 11 2.435 10.110 -0.557
98 1HD1 ILE 11 1HD1 ILE 11 4.235 6.860 0.459
99 2HD1 ILE 11 2HD1 ILE 11 4.160 6.306 2.132
100 3HD1 ILE 11 3HD1 ILE 11 4.714 7.942 1.766
101 H CYS 12 H CYS 12 2.156 7.247 -2.165
102 HA CYS 12 HA CYS 12 1.270 4.719 -3.082
103 1HB CYS 12 2HB CYS 12 3.537 6.524 -3.816
104 2HB CYS 12 1HB CYS 12 3.486 4.884 -4.454
105 H TYR 13 H TYR 13 1.430 3.322 -1.320
106 HA TYR 13 HA TYR 13 4.060 2.747 -0.226
107 1HB TYR 13 2HB TYR 13 1.675 2.832 0.972
108 2HB TYR 13 1HB TYR 13 1.676 1.133 0.513
109 HD1 TYR 13 1HD TYR 13 2.889 -0.443 1.742
110 HD2 TYR 13 2HD TYR 13 3.598 3.703 2.367
111 HE1 TYR 13 1HE TYR 13 4.274 -0.980 3.709
112 HE2 TYR 13 2HE TYR 13 4.985 3.185 4.326
113 HH TYR 13 HH TYR 13 5.295 1.395 5.942
114 H ARG 14 H ARG 14 4.529 0.336 0.131
115 HA ARG 14 HA ARG 14 3.591 -1.528 -1.831
116 1HB ARG 14 2HB ARG 14 6.424 -0.490 -2.095
117 2HB ARG 14 1HB ARG 14 5.748 -1.847 -2.983
118 1HG ARG 14 2HG ARG 14 4.071 -0.247 -3.950
119 2HG ARG 14 1HG ARG 14 5.009 1.059 -3.220
120 1HD ARG 14 2HD ARG 14 6.908 -0.469 -4.528
121 2HD ARG 14 1HD ARG 14 5.527 -0.498 -5.623
122 HE ARG 14 HE ARG 14 7.198 1.754 -4.993
123 1HH1 ARG 14 1HH1 ARG 14 4.056 0.753 -6.138
124 2HH1 ARG 14 2HH1 ARG 14 3.750 2.237 -6.975
125 1HH2 ARG 14 1HH2 ARG 14 6.798 3.706 -6.097
126 2HH2 ARG 14 2HH2 ARG 14 5.307 3.914 -6.952
127 H ARG 15 H ARG 15 3.276 -2.983 -0.132
128 HA ARG 15 HA ARG 15 5.483 -4.539 0.663
129 1HB ARG 15 2HB ARG 15 4.941 -2.231 2.314
130 2HB ARG 15 1HB ARG 15 4.760 -3.714 3.240
131 1HG ARG 15 2HG ARG 15 7.164 -3.558 1.545
132 2HG ARG 15 1HG ARG 15 7.095 -2.423 2.894
133 1HD ARG 15 2HD ARG 15 7.973 -4.145 4.051
134 2HD ARG 15 1HD ARG 15 6.297 -4.684 4.128
135 HE ARG 15 HE ARG 15 7.690 -5.630 1.805
136 1HH1 ARG 15 1HH1 ARG 15 7.038 -6.239 5.179
137 2HH1 ARG 15 2HH1 ARG 15 7.350 -7.938 5.062
138 1HH2 ARG 15 1HH2 ARG 15 8.100 -7.865 1.648
139 2HH2 ARG 15 2HH2 ARG 15 7.953 -8.861 3.058
140 H CYS 16 H CYS 16 2.748 -3.597 2.717
141 HA CYS 16 HA CYS 16 0.888 -4.704 3.413
142 1HB CYS 16 2HB CYS 16 1.456 -6.136 0.868
143 2HB CYS 16 1HB CYS 16 0.374 -6.919 2.012
144 H ARG 17 H ARG 17 3.849 -5.577 3.937
145 HA ARG 17 HA ARG 17 4.986 -7.282 4.981
146 1HB ARG 17 2HB ARG 17 3.976 -7.780 7.222
147 2HB ARG 17 1HB ARG 17 4.152 -6.073 6.851
148 1HG ARG 17 2HG ARG 17 2.057 -6.204 7.824
149 2HG ARG 17 1HG ARG 17 1.695 -6.193 6.101
150 1HD ARG 17 2HD ARG 17 0.942 -8.330 6.111
151 2HD ARG 17 1HD ARG 17 2.106 -8.845 7.331
152 HE ARG 17 HE ARG 17 0.483 -8.539 8.890
153 1HH1 ARG 17 1HH1 ARG 17 -0.273 -6.519 6.146
154 2HH1 ARG 17 2HH1 ARG 17 -1.760 -5.946 6.819
155 1HH2 ARG 17 1HH2 ARG 17 -1.476 -7.783 9.777
156 2HH2 ARG 17 2HH2 ARG 17 -2.444 -6.662 8.880
Start of MODEL 16
1 1H LYS 1 1HT LYS 1 -6.717 -2.386 5.551
2 2H LYS 1 2HT LYS 1 -6.340 -1.090 6.611
3 3H LYS 1 3HT LYS 1 -5.102 -1.829 5.681
4 HA LYS 1 HA LYS 1 -7.277 -0.071 4.817
5 1HB LYS 1 2HB LYS 1 -4.426 0.079 5.258
6 2HB LYS 1 1HB LYS 1 -4.799 0.467 3.584
7 1HG LYS 1 2HG LYS 1 -5.925 1.804 6.035
8 2HG LYS 1 1HG LYS 1 -4.759 2.481 4.896
9 1HD LYS 1 2HD LYS 1 -6.352 3.016 3.400
10 2HD LYS 1 1HD LYS 1 -7.247 1.520 3.668
11 1HE LYS 1 2HE LYS 1 -7.799 2.675 5.975
12 2HE LYS 1 1HE LYS 1 -7.458 4.143 5.061
13 1HZ LYS 1 1HZ LYS 1 -9.630 3.955 4.556
14 2HZ LYS 1 2HZ LYS 1 -9.682 2.286 4.826
15 3HZ LYS 1 3HZ LYS 1 -9.069 2.888 3.368
16 H TRP 2 H TRP 2 -6.274 0.436 2.296
17 HA TRP 2 HA TRP 2 -7.472 -1.523 0.729
18 1HB TRP 2 2HB TRP 2 -5.927 0.900 0.278
19 2HB TRP 2 1HB TRP 2 -5.605 -0.314 -0.955
20 HD1 TRP 2 HD TRP 2 -8.516 1.696 0.535
21 HE1 TRP 2 1HE TRP 2 -10.389 1.849 -1.225
22 HE3 TRP 2 3HE TRP 2 -6.520 -1.372 -3.022
23 HZ2 TRP 2 2HZ TRP 2 -10.942 0.801 -3.791
24 HZ3 TRP 2 3HZ TRP 2 -7.780 -1.748 -5.101
25 HH2 TRP 2 HH TRP 2 -9.946 -0.684 -5.475
26 H CYS 3 H CYS 3 -5.893 -2.222 -1.326
27 HA CYS 3 HA CYS 3 -4.639 -4.562 -0.516
28 1HB CYS 3 2HB CYS 3 -5.352 -3.978 -2.854
29 2HB CYS 3 1HB CYS 3 -3.933 -2.948 -2.980
30 H PHE 4 H PHE 4 -2.256 -5.098 -0.794
31 HA PHE 4 HA PHE 4 -0.664 -3.904 1.030
32 1HB PHE 4 2HB PHE 4 -0.235 -5.985 -0.472
33 2HB PHE 4 1HB PHE 4 0.590 -4.847 -1.524
34 HD1 PHE 4 1HD PHE 4 1.151 -3.489 1.563
35 HD2 PHE 4 2HD PHE 4 2.217 -6.918 -0.726
36 HE1 PHE 4 1HE PHE 4 3.200 -3.742 2.898
37 HE2 PHE 4 2HE PHE 4 4.265 -7.174 0.608
38 HZ PHE 4 HZ PHE 4 4.759 -5.586 2.423
39 H ARG 5 H ARG 5 -1.276 -2.779 -2.196
40 HA ARG 5 HA ARG 5 0.796 -0.815 -2.259
41 1HB ARG 5 2HB ARG 5 -0.473 0.107 -4.194
42 2HB ARG 5 1HB ARG 5 -0.113 -1.605 -4.348
43 1HG ARG 5 2HG ARG 5 -2.258 -1.962 -4.752
44 2HG ARG 5 1HG ARG 5 -2.611 -1.470 -3.095
45 1HD ARG 5 2HD ARG 5 -3.960 -0.071 -4.376
46 2HD ARG 5 1HD ARG 5 -2.554 0.929 -4.017
47 HE ARG 5 HE ARG 5 -2.019 0.935 -6.246
48 1HH1 ARG 5 1HH1 ARG 5 -4.430 -1.519 -5.655
49 2HH1 ARG 5 2HH1 ARG 5 -4.704 -1.832 -7.335
50 1HH2 ARG 5 1HH2 ARG 5 -2.379 0.523 -8.458
51 2HH2 ARG 5 2HH2 ARG 5 -3.540 -0.674 -8.927
52 H VAL 6 H VAL 6 0.674 0.388 -0.401
53 HA VAL 6 HA VAL 6 -1.543 1.444 0.831
54 HB VAL 6 HB VAL 6 -0.109 2.992 1.949
55 1HG1 VAL 6 1HG1 VAL 6 0.163 0.463 2.262
56 2HG1 VAL 6 2HG1 VAL 6 1.429 1.514 2.898
57 3HG1 VAL 6 3HG1 VAL 6 1.678 0.651 1.379
58 1HG2 VAL 6 1HG2 VAL 6 1.264 4.156 0.606
59 2HG2 VAL 6 2HG2 VAL 6 1.439 2.830 -0.539
60 3HG2 VAL 6 3HG2 VAL 6 2.410 2.856 0.934
61 H CYS 7 H CYS 7 -0.295 2.379 -2.226
62 HA CYS 7 HA CYS 7 -0.585 4.968 -2.668
63 1HB CYS 7 2HB CYS 7 -1.597 2.641 -4.212
64 2HB CYS 7 1HB CYS 7 -2.126 4.239 -4.722
65 H TYR 8 H TYR 8 -1.773 6.337 -1.568
66 HA TYR 8 HA TYR 8 -3.795 7.605 -1.507
67 1HB TYR 8 2HB TYR 8 -5.008 5.817 -2.844
68 2HB TYR 8 1HB TYR 8 -5.262 4.962 -1.327
69 HD1 TYR 8 1HD TYR 8 -5.835 8.327 -2.856
70 HD2 TYR 8 2HD TYR 8 -7.219 5.335 -0.165
71 HE1 TYR 8 1HE TYR 8 -7.881 9.634 -2.461
72 HE2 TYR 8 2HE TYR 8 -9.268 6.632 0.234
73 HH TYR 8 HH TYR 8 -10.590 8.345 -0.769
74 H ARG 9 H ARG 9 -5.550 7.577 0.368
75 HA ARG 9 HA ARG 9 -5.605 8.049 2.617
76 1HB ARG 9 2HB ARG 9 -5.884 5.210 2.029
77 2HB ARG 9 1HB ARG 9 -5.393 5.496 3.692
78 1HG ARG 9 2HG ARG 9 -7.813 6.642 2.317
79 2HG ARG 9 1HG ARG 9 -7.795 5.373 3.542
80 1HD ARG 9 2HD ARG 9 -6.427 7.830 4.351
81 2HD ARG 9 1HD ARG 9 -8.145 8.043 4.026
82 HE ARG 9 HE ARG 9 -8.641 6.729 5.859
83 1HH1 ARG 9 1HH1 ARG 9 -5.205 6.645 5.235
84 2HH1 ARG 9 2HH1 ARG 9 -4.827 5.874 6.737
85 1HH2 ARG 9 1HH2 ARG 9 -8.140 5.726 7.836
86 2HH2 ARG 9 2HH2 ARG 9 -6.492 5.353 8.215
87 H GLY 10 H GLY 10 -2.953 8.435 1.732
88 1HA GLY 10 2HA GLY 10 -1.495 8.881 3.898
89 2HA GLY 10 1HA GLY 10 -1.275 7.147 3.745
90 H ILE 11 H ILE 11 -0.460 6.402 1.559
91 HA ILE 11 HA ILE 11 1.039 8.329 0.013
92 HB ILE 11 HB ILE 11 3.256 7.473 0.423
93 1HG1 ILE 11 2HG1 ILE 11 1.883 5.560 2.319
94 2HG1 ILE 11 1HG1 ILE 11 2.843 5.164 0.898
95 1HG2 ILE 11 1HG2 ILE 11 2.413 9.281 1.874
96 2HG2 ILE 11 2HG2 ILE 11 3.651 8.294 2.650
97 3HG2 ILE 11 3HG2 ILE 11 1.955 8.072 3.073
98 1HD1 ILE 11 1HD1 ILE 11 4.651 6.538 2.369
99 2HD1 ILE 11 2HD1 ILE 11 4.457 4.784 2.395
100 3HD1 ILE 11 3HD1 ILE 11 3.685 5.776 3.633
101 H CYS 12 H CYS 12 2.863 6.656 -1.234
102 HA CYS 12 HA CYS 12 1.125 4.585 -2.400
103 1HB CYS 12 2HB CYS 12 2.621 6.749 -3.671
104 2HB CYS 12 1HB CYS 12 2.957 5.168 -4.381
105 H TYR 13 H TYR 13 1.864 2.610 -2.630
106 HA TYR 13 HA TYR 13 4.675 2.085 -1.936
107 1HB TYR 13 2HB TYR 13 2.406 1.095 -0.706
108 2HB TYR 13 1HB TYR 13 2.843 -0.201 -1.814
109 HD1 TYR 13 1HD TYR 13 4.490 2.082 0.647
110 HD2 TYR 13 2HD TYR 13 4.278 -1.824 -1.022
111 HE1 TYR 13 1HE TYR 13 6.199 1.316 2.242
112 HE2 TYR 13 2HE TYR 13 5.986 -2.603 0.568
113 HH TYR 13 HH TYR 13 6.918 -1.999 2.710
114 H ARG 14 H ARG 14 4.747 -0.573 -2.856
115 HA ARG 14 HA ARG 14 3.854 -0.580 -5.601
116 1HB ARG 14 2HB ARG 14 6.807 -0.490 -4.968
117 2HB ARG 14 1HB ARG 14 6.118 -0.797 -6.556
118 1HG ARG 14 2HG ARG 14 5.067 1.442 -6.495
119 2HG ARG 14 1HG ARG 14 5.866 1.747 -4.953
120 1HD ARG 14 2HD ARG 14 7.011 2.676 -7.006
121 2HD ARG 14 1HD ARG 14 8.008 1.689 -5.938
122 HE ARG 14 HE ARG 14 6.789 0.242 -8.115
123 1HH1 ARG 14 1HH1 ARG 14 9.566 2.081 -7.066
124 2HH1 ARG 14 2HH1 ARG 14 10.624 1.390 -8.250
125 1HH2 ARG 14 1HH2 ARG 14 8.183 -0.666 -9.669
126 2HH2 ARG 14 2HH2 ARG 14 9.840 -0.168 -9.727
127 H ARG 15 H ARG 15 2.794 -2.467 -5.089
128 HA ARG 15 HA ARG 15 4.174 -4.866 -5.476
129 1HB ARG 15 2HB ARG 15 3.896 -3.990 -2.684
130 2HB ARG 15 1HB ARG 15 3.364 -5.638 -2.993
131 1HG ARG 15 2HG ARG 15 5.843 -5.280 -4.310
132 2HG ARG 15 1HG ARG 15 6.006 -4.645 -2.671
133 1HD ARG 15 2HD ARG 15 5.655 -6.684 -1.699
134 2HD ARG 15 1HD ARG 15 4.647 -7.263 -3.025
135 HE ARG 15 HE ARG 15 6.516 -8.167 -3.961
136 1HH1 ARG 15 1HH1 ARG 15 7.509 -5.631 -1.779
137 2HH1 ARG 15 2HH1 ARG 15 9.200 -5.945 -1.984
138 1HH2 ARG 15 1HH2 ARG 15 8.738 -8.581 -4.233
139 2HH2 ARG 15 2HH2 ARG 15 9.898 -7.619 -3.379
140 H CYS 16 H CYS 16 1.628 -4.573 -3.100
141 HA CYS 16 HA CYS 16 -0.460 -5.499 -3.040
142 1HB CYS 16 2HB CYS 16 -0.966 -3.364 -4.039
143 2HB CYS 16 1HB CYS 16 -0.559 -3.969 -5.639
144 H ARG 17 H ARG 17 -0.527 -5.659 -6.521
145 HA ARG 17 HA ARG 17 -0.830 -8.564 -6.323
146 1HB ARG 17 2HB ARG 17 -1.936 -6.472 -8.068
147 2HB ARG 17 1HB ARG 17 -1.460 -7.939 -8.911
148 1HG ARG 17 2HG ARG 17 -2.816 -9.150 -7.071
149 2HG ARG 17 1HG ARG 17 -3.543 -7.564 -6.803
150 1HD ARG 17 2HD ARG 17 -4.990 -8.477 -8.345
151 2HD ARG 17 1HD ARG 17 -3.879 -7.591 -9.386
152 HE ARG 17 HE ARG 17 -3.143 -9.581 -10.251
153 1HH1 ARG 17 1HH1 ARG 17 -4.977 -10.213 -7.350
154 2HH1 ARG 17 2HH1 ARG 17 -5.002 -11.928 -7.591
155 1HH2 ARG 17 1HH2 ARG 17 -3.176 -11.835 -10.569
156 2HH2 ARG 17 2HH2 ARG 17 -3.978 -12.849 -9.417
Start of MODEL 17
1 1H LYS 1 1HT LYS 1 -5.612 -0.389 3.161
2 2H LYS 1 2HT LYS 1 -6.359 -1.919 2.946
3 3H LYS 1 3HT LYS 1 -4.738 -1.674 2.440
4 HA LYS 1 HA LYS 1 -5.578 -1.345 5.229
5 1HB LYS 1 2HB LYS 1 -4.872 -3.661 5.595
6 2HB LYS 1 1HB LYS 1 -6.221 -3.587 4.470
7 1HG LYS 1 2HG LYS 1 -3.539 -3.559 3.255
8 2HG LYS 1 1HG LYS 1 -4.008 -5.054 4.065
9 1HD LYS 1 2HD LYS 1 -6.096 -3.909 2.359
10 2HD LYS 1 1HD LYS 1 -4.639 -4.393 1.490
11 1HE LYS 1 2HE LYS 1 -4.832 -6.623 2.174
12 2HE LYS 1 1HE LYS 1 -5.949 -6.219 3.477
13 1HZ LYS 1 1HZ LYS 1 -7.347 -5.396 1.379
14 2HZ LYS 1 2HZ LYS 1 -7.449 -6.969 1.993
15 3HZ LYS 1 3HZ LYS 1 -6.473 -6.647 0.650
16 H TRP 2 H TRP 2 -3.627 -0.061 3.272
17 HA TRP 2 HA TRP 2 -1.449 0.607 3.196
18 1HB TRP 2 2HB TRP 2 -0.923 0.009 6.036
19 2HB TRP 2 1HB TRP 2 -0.751 1.519 5.152
20 HD1 TRP 2 HD TRP 2 -3.684 2.142 4.330
21 HE1 TRP 2 1HE TRP 2 -5.471 2.674 6.103
22 HE3 TRP 2 3HE TRP 2 -1.464 -0.021 8.398
23 HZ2 TRP 2 2HZ TRP 2 -5.886 2.236 8.860
24 HZ3 TRP 2 3HZ TRP 2 -2.623 0.081 10.565
25 HH2 TRP 2 HH TRP 2 -4.788 1.188 10.791
26 H CYS 3 H CYS 3 -1.623 -1.907 2.269
27 HA CYS 3 HA CYS 3 0.840 -3.128 3.295
28 1HB CYS 3 2HB CYS 3 -1.754 -4.557 2.704
29 2HB CYS 3 1HB CYS 3 -0.210 -5.387 2.876
30 H PHE 4 H PHE 4 -1.419 -4.206 0.781
31 HA PHE 4 HA PHE 4 0.789 -4.026 -1.142
32 1HB PHE 4 2HB PHE 4 -0.631 -6.204 -0.567
33 2HB PHE 4 1HB PHE 4 -1.700 -5.524 -1.787
34 HD1 PHE 4 1HD PHE 4 1.105 -4.290 -3.044
35 HD2 PHE 4 2HD PHE 4 -0.549 -8.126 -2.216
36 HE1 PHE 4 1HE PHE 4 2.503 -5.274 -4.811
37 HE2 PHE 4 2HE PHE 4 0.848 -9.113 -3.982
38 HZ PHE 4 HZ PHE 4 2.377 -7.687 -5.283
39 H ARG 5 H ARG 5 -2.315 -2.759 -0.398
40 HA ARG 5 HA ARG 5 -2.859 -1.806 -3.068
41 1HB ARG 5 2HB ARG 5 -4.775 -0.640 -1.983
42 2HB ARG 5 1HB ARG 5 -4.750 -2.374 -1.694
43 1HG ARG 5 2HG ARG 5 -4.783 -2.044 0.490
44 2HG ARG 5 1HG ARG 5 -3.312 -1.077 0.396
45 1HD ARG 5 2HD ARG 5 -4.761 0.463 1.278
46 2HD ARG 5 1HD ARG 5 -4.966 0.780 -0.443
47 HE ARG 5 HE ARG 5 -6.811 -1.156 0.624
48 1HH1 ARG 5 1HH1 ARG 5 -6.215 2.236 0.051
49 2HH1 ARG 5 2HH1 ARG 5 -7.893 2.661 0.071
50 1HH2 ARG 5 1HH2 ARG 5 -9.018 -0.596 0.652
51 2HH2 ARG 5 2HH2 ARG 5 -9.484 1.054 0.410
52 H VAL 6 H VAL 6 -0.458 -0.878 -2.688
53 HA VAL 6 HA VAL 6 -0.072 1.486 -1.279
54 HB VAL 6 HB VAL 6 1.696 1.932 -3.093
55 1HG1 VAL 6 1HG1 VAL 6 1.885 0.687 -0.808
56 2HG1 VAL 6 2HG1 VAL 6 3.211 0.596 -1.968
57 3HG1 VAL 6 3HG1 VAL 6 2.073 -0.745 -1.822
58 1HG2 VAL 6 1HG2 VAL 6 1.397 -0.920 -3.853
59 2HG2 VAL 6 2HG2 VAL 6 2.085 0.428 -4.759
60 3HG2 VAL 6 3HG2 VAL 6 0.334 0.257 -4.625
61 H CYS 7 H CYS 7 -0.567 3.530 -1.602
62 HA CYS 7 HA CYS 7 -0.866 5.472 -2.924
63 1HB CYS 7 2HB CYS 7 -2.305 3.647 -4.862
64 2HB CYS 7 1HB CYS 7 -2.191 5.394 -5.019
65 H TYR 8 H TYR 8 -1.969 5.765 -0.895
66 HA TYR 8 HA TYR 8 -4.588 6.636 -1.211
67 1HB TYR 8 2HB TYR 8 -5.217 4.288 -1.332
68 2HB TYR 8 1HB TYR 8 -4.396 3.959 0.189
69 HD1 TYR 8 1HD TYR 8 -6.918 6.450 -1.024
70 HD2 TYR 8 2HD TYR 8 -5.830 3.612 1.956
71 HE1 TYR 8 1HE TYR 8 -9.000 6.936 0.193
72 HE2 TYR 8 2HE TYR 8 -7.906 4.093 3.181
73 HH TYR 8 HH TYR 8 -9.570 5.804 3.387
74 H ARG 9 H ARG 9 -4.223 4.983 1.786
75 HA ARG 9 HA ARG 9 -4.282 7.322 3.306
76 1HB ARG 9 2HB ARG 9 -4.554 4.611 3.786
77 2HB ARG 9 1HB ARG 9 -3.115 5.039 4.699
78 1HG ARG 9 2HG ARG 9 -5.102 5.199 6.077
79 2HG ARG 9 1HG ARG 9 -4.362 6.786 5.861
80 1HD ARG 9 2HD ARG 9 -6.009 7.404 4.240
81 2HD ARG 9 1HD ARG 9 -6.665 5.767 4.206
82 HE ARG 9 HE ARG 9 -7.328 7.825 6.044
83 1HH1 ARG 9 1HH1 ARG 9 -6.876 4.371 5.820
84 2HH1 ARG 9 2HH1 ARG 9 -7.952 4.020 7.130
85 1HH2 ARG 9 1HH2 ARG 9 -8.745 7.363 7.766
86 2HH2 ARG 9 2HH2 ARG 9 -9.015 5.718 8.233
87 H GLY 10 H GLY 10 -2.574 8.645 2.484
88 1HA GLY 10 2HA GLY 10 -0.564 9.667 3.113
89 2HA GLY 10 1HA GLY 10 -0.085 8.181 3.916
90 H ILE 11 H ILE 11 -1.037 8.908 0.570
91 HA ILE 11 HA ILE 11 0.021 8.655 -1.414
92 HB ILE 11 HB ILE 11 2.246 9.114 -1.640
93 1HG1 ILE 11 2HG1 ILE 11 2.625 7.082 0.368
94 2HG1 ILE 11 1HG1 ILE 11 3.768 7.693 -0.815
95 1HG2 ILE 11 1HG2 ILE 11 1.072 10.786 -0.183
96 2HG2 ILE 11 2HG2 ILE 11 2.834 10.808 -0.109
97 3HG2 ILE 11 3HG2 ILE 11 1.906 10.060 1.189
98 1HD1 ILE 11 1HD1 ILE 11 4.547 9.358 0.690
99 2HD1 ILE 11 2HD1 ILE 11 4.517 7.822 1.558
100 3HD1 ILE 11 3HD1 ILE 11 3.247 9.016 1.833
101 H CYS 12 H CYS 12 2.084 7.059 -2.287
102 HA CYS 12 HA CYS 12 0.882 4.445 -1.966
103 1HB CYS 12 2HB CYS 12 3.171 5.187 -3.777
104 2HB CYS 12 1HB CYS 12 2.111 3.788 -3.904
105 H TYR 13 H TYR 13 3.050 2.788 -2.527
106 HA TYR 13 HA TYR 13 4.784 1.713 -1.586
107 1HB TYR 13 2HB TYR 13 6.416 3.212 -1.293
108 2HB TYR 13 1HB TYR 13 5.270 4.448 -0.806
109 HD1 TYR 13 1HD TYR 13 6.337 1.226 0.723
110 HD2 TYR 13 2HD TYR 13 5.976 5.436 1.135
111 HE1 TYR 13 1HE TYR 13 7.208 1.068 3.031
112 HE2 TYR 13 2HE TYR 13 6.829 5.304 3.438
113 HH TYR 13 HH TYR 13 8.102 3.858 4.850
114 H ARG 14 H ARG 14 3.535 3.600 0.951
115 HA ARG 14 HA ARG 14 2.762 3.110 3.056
116 1HB ARG 14 2HB ARG 14 1.420 0.737 1.799
117 2HB ARG 14 1HB ARG 14 0.826 1.784 3.079
118 1HG ARG 14 2HG ARG 14 1.285 2.822 0.302
119 2HG ARG 14 1HG ARG 14 -0.212 2.002 0.750
120 1HD ARG 14 2HD ARG 14 0.893 4.596 1.764
121 2HD ARG 14 1HD ARG 14 -0.690 4.260 1.074
122 HE ARG 14 HE ARG 14 -1.347 3.273 3.128
123 1HH1 ARG 14 1HH1 ARG 14 1.810 4.776 3.267
124 2HH1 ARG 14 2HH1 ARG 14 1.827 4.851 4.996
125 1HH2 ARG 14 1HH2 ARG 14 -1.318 3.392 5.396
126 2HH2 ARG 14 2HH2 ARG 14 0.057 4.068 6.202
127 H ARG 15 H ARG 15 2.337 1.188 4.661
128 HA ARG 15 HA ARG 15 4.409 -0.862 4.399
129 1HB ARG 15 2HB ARG 15 4.849 -0.361 6.942
130 2HB ARG 15 1HB ARG 15 5.691 0.542 5.691
131 1HG ARG 15 2HG ARG 15 4.767 2.472 6.317
132 2HG ARG 15 1HG ARG 15 3.158 1.758 6.445
133 1HD ARG 15 2HD ARG 15 3.319 1.771 8.658
134 2HD ARG 15 1HD ARG 15 4.747 0.743 8.571
135 HE ARG 15 HE ARG 15 5.632 3.292 8.037
136 1HH1 ARG 15 1HH1 ARG 15 4.004 1.692 10.676
137 2HH1 ARG 15 2HH1 ARG 15 4.677 2.731 11.887
138 1HH2 ARG 15 1HH2 ARG 15 6.519 4.660 9.628
139 2HH2 ARG 15 2HH2 ARG 15 6.105 4.416 11.292
140 H CYS 16 H CYS 16 3.725 -2.804 5.040
141 HA CYS 16 HA CYS 16 1.090 -3.012 6.237
142 1HB CYS 16 2HB CYS 16 1.967 -4.430 4.270
143 2HB CYS 16 1HB CYS 16 2.859 -5.331 5.491
144 H ARG 17 H ARG 17 0.879 -3.006 8.364
145 HA ARG 17 HA ARG 17 2.930 -4.364 9.984
146 1HB ARG 17 2HB ARG 17 2.988 -1.860 10.165
147 2HB ARG 17 1HB ARG 17 1.360 -1.923 10.827
148 1HG ARG 17 2HG ARG 17 2.412 -1.968 12.799
149 2HG ARG 17 1HG ARG 17 2.638 -3.681 12.443
150 1HD ARG 17 2HD ARG 17 4.592 -1.442 11.939
151 2HD ARG 17 1HD ARG 17 4.742 -2.736 13.123
152 HE ARG 17 HE ARG 17 5.214 -4.250 11.386
153 1HH1 ARG 17 1HH1 ARG 17 4.785 -0.985 10.202
154 2HH1 ARG 17 2HH1 ARG 17 5.549 -1.309 8.684
155 1HH2 ARG 17 1HH2 ARG 17 6.213 -4.664 9.388
156 2HH2 ARG 17 2HH2 ARG 17 6.356 -3.393 8.221
Start of MODEL 18
1 1H LYS 1 1HT LYS 1 -4.399 -0.642 7.848
2 2H LYS 1 2HT LYS 1 -4.650 -2.123 8.677
3 3H LYS 1 3HT LYS 1 -5.608 -1.733 7.308
4 HA LYS 1 HA LYS 1 -3.700 -3.367 7.075
5 1HB LYS 1 2HB LYS 1 -3.155 -2.042 4.813
6 2HB LYS 1 1HB LYS 1 -4.670 -2.891 5.069
7 1HG LYS 1 2HG LYS 1 -4.659 -0.106 5.991
8 2HG LYS 1 1HG LYS 1 -4.455 -0.319 4.252
9 1HD LYS 1 2HD LYS 1 -6.548 -1.168 3.971
10 2HD LYS 1 1HD LYS 1 -6.574 -1.919 5.568
11 1HE LYS 1 2HE LYS 1 -8.093 -0.230 5.874
12 2HE LYS 1 1HE LYS 1 -6.612 0.573 6.389
13 1HZ LYS 1 1HZ LYS 1 -6.801 2.045 4.758
14 2HZ LYS 1 2HZ LYS 1 -8.353 1.440 4.461
15 3HZ LYS 1 3HZ LYS 1 -7.033 0.848 3.584
16 H TRP 2 H TRP 2 -2.610 -0.147 6.050
17 HA TRP 2 HA TRP 2 -0.600 0.900 6.226
18 1HB TRP 2 2HB TRP 2 -0.316 -0.631 8.816
19 2HB TRP 2 1HB TRP 2 0.513 0.857 8.372
20 HD1 TRP 2 HD TRP 2 -2.273 2.216 7.189
21 HE1 TRP 2 1HE TRP 2 -3.920 3.180 8.916
22 HE3 TRP 2 3HE TRP 2 -0.668 -0.307 11.335
23 HZ2 TRP 2 2HZ TRP 2 -4.466 2.905 11.674
24 HZ3 TRP 2 3HZ TRP 2 -1.805 0.100 13.478
25 HH2 TRP 2 HH TRP 2 -3.664 1.675 13.643
26 H CYS 3 H CYS 3 -0.821 -1.935 5.122
27 HA CYS 3 HA CYS 3 2.072 -2.423 5.043
28 1HB CYS 3 2HB CYS 3 1.026 -4.083 6.558
29 2HB CYS 3 1HB CYS 3 -0.018 -4.602 5.239
30 H PHE 4 H PHE 4 -0.779 -3.972 3.564
31 HA PHE 4 HA PHE 4 0.475 -4.121 1.026
32 1HB PHE 4 2HB PHE 4 -1.307 -5.681 1.881
33 2HB PHE 4 1HB PHE 4 -2.478 -4.402 1.608
34 HD1 PHE 4 1HD PHE 4 -3.444 -6.425 0.261
35 HD2 PHE 4 2HD PHE 4 0.017 -4.221 -0.879
36 HE1 PHE 4 1HE PHE 4 -3.726 -7.186 -2.061
37 HE2 PHE 4 2HE PHE 4 -0.261 -4.980 -3.199
38 HZ PHE 4 HZ PHE 4 -2.134 -6.463 -3.795
39 H ARG 5 H ARG 5 -2.609 -3.087 0.257
40 HA ARG 5 HA ARG 5 -3.333 -1.291 -0.942
41 1HB ARG 5 2HB ARG 5 -1.868 0.610 0.807
42 2HB ARG 5 1HB ARG 5 -3.552 0.614 0.306
43 1HG ARG 5 2HG ARG 5 -2.305 -1.071 2.463
44 2HG ARG 5 1HG ARG 5 -3.446 0.257 2.666
45 1HD ARG 5 2HD ARG 5 -5.166 -1.128 2.418
46 2HD ARG 5 1HD ARG 5 -4.542 -1.680 0.864
47 HE ARG 5 HE ARG 5 -3.091 -2.953 2.880
48 1HH1 ARG 5 1HH1 ARG 5 -6.349 -2.882 1.631
49 2HH1 ARG 5 2HH1 ARG 5 -6.693 -4.517 2.086
50 1HH2 ARG 5 1HH2 ARG 5 -3.542 -5.104 3.479
51 2HH2 ARG 5 2HH2 ARG 5 -5.100 -5.779 3.134
52 H VAL 6 H VAL 6 -2.428 1.085 -1.697
53 HA VAL 6 HA VAL 6 0.236 1.482 -2.281
54 HB VAL 6 HB VAL 6 -0.059 0.840 -4.867
55 1HG1 VAL 6 1HG1 VAL 6 1.320 -0.267 -2.590
56 2HG1 VAL 6 2HG1 VAL 6 1.862 -0.091 -4.258
57 3HG1 VAL 6 3HG1 VAL 6 0.952 -1.521 -3.774
58 1HG2 VAL 6 1HG2 VAL 6 -1.383 -0.927 -5.340
59 2HG2 VAL 6 2HG2 VAL 6 -2.283 -0.357 -3.935
60 3HG2 VAL 6 3HG2 VAL 6 -1.129 -1.679 -3.767
61 H CYS 7 H CYS 7 0.130 3.590 -2.505
62 HA CYS 7 HA CYS 7 -0.382 5.665 -3.283
63 1HB CYS 7 2HB CYS 7 -1.124 3.909 -5.508
64 2HB CYS 7 1HB CYS 7 -1.983 5.447 -5.490
65 H TYR 8 H TYR 8 -1.639 5.553 -1.257
66 HA TYR 8 HA TYR 8 -4.115 6.807 -1.567
67 1HB TYR 8 2HB TYR 8 -4.963 4.619 -2.213
68 2HB TYR 8 1HB TYR 8 -4.289 3.895 -0.757
69 HD1 TYR 8 1HD TYR 8 -5.313 4.336 1.435
70 HD2 TYR 8 2HD TYR 8 -7.025 5.857 -2.150
71 HE1 TYR 8 1HE TYR 8 -7.413 4.779 2.635
72 HE2 TYR 8 2HE TYR 8 -9.130 6.306 -0.962
73 HH TYR 8 HH TYR 8 -9.926 4.997 1.927
74 H ARG 9 H ARG 9 -3.162 4.336 0.808
75 HA ARG 9 HA ARG 9 -3.832 5.684 3.092
76 1HB ARG 9 2HB ARG 9 -1.678 3.653 2.569
77 2HB ARG 9 1HB ARG 9 -1.977 4.281 4.184
78 1HG ARG 9 2HG ARG 9 -4.231 3.146 2.590
79 2HG ARG 9 1HG ARG 9 -3.103 2.074 3.421
80 1HD ARG 9 2HD ARG 9 -4.849 2.404 4.950
81 2HD ARG 9 1HD ARG 9 -3.561 3.477 5.499
82 HE ARG 9 HE ARG 9 -5.462 4.730 3.738
83 1HH1 ARG 9 1HH1 ARG 9 -4.718 3.921 7.052
84 2HH1 ARG 9 2HH1 ARG 9 -5.709 5.179 7.711
85 1HH2 ARG 9 1HH2 ARG 9 -6.764 6.384 4.605
86 2HH2 ARG 9 2HH2 ARG 9 -6.871 6.577 6.323
87 H GLY 10 H GLY 10 -3.262 7.913 2.617
88 1HA GLY 10 2HA GLY 10 -1.990 9.796 2.887
89 2HA GLY 10 1HA GLY 10 -1.166 8.875 4.130
90 H ILE 11 H ILE 11 -0.934 7.556 0.964
91 HA ILE 11 HA ILE 11 1.017 8.912 -0.343
92 HB ILE 11 HB ILE 11 3.079 7.435 0.451
93 1HG1 ILE 11 2HG1 ILE 11 2.340 8.030 3.196
94 2HG1 ILE 11 1HG1 ILE 11 1.243 6.859 2.474
95 1HG2 ILE 11 1HG2 ILE 11 3.932 9.442 0.794
96 2HG2 ILE 11 2HG2 ILE 11 2.986 9.649 2.268
97 3HG2 ILE 11 3HG2 ILE 11 2.303 10.109 0.708
98 1HD1 ILE 11 1HD1 ILE 11 2.802 5.248 2.398
99 2HD1 ILE 11 2HD1 ILE 11 3.546 6.207 3.677
100 3HD1 ILE 11 3HD1 ILE 11 4.104 6.374 2.013
101 H CYS 12 H CYS 12 2.702 7.279 -1.469
102 HA CYS 12 HA CYS 12 1.034 5.084 -2.422
103 1HB CYS 12 2HB CYS 12 2.170 6.871 -3.962
104 2HB CYS 12 1HB CYS 12 3.598 5.862 -3.749
105 H TYR 13 H TYR 13 1.312 3.532 -0.931
106 HA TYR 13 HA TYR 13 3.877 2.750 0.057
107 1HB TYR 13 2HB TYR 13 1.444 2.498 1.070
108 2HB TYR 13 1HB TYR 13 1.500 0.953 0.229
109 HD1 TYR 13 1HD TYR 13 2.858 -0.834 1.020
110 HD2 TYR 13 2HD TYR 13 3.056 2.989 2.875
111 HE1 TYR 13 1HE TYR 13 4.119 -1.812 2.896
112 HE2 TYR 13 2HE TYR 13 4.316 2.029 4.750
113 HH TYR 13 HH TYR 13 5.740 0.076 5.205
114 H ARG 14 H ARG 14 4.610 0.444 -0.091
115 HA ARG 14 HA ARG 14 3.861 -1.261 -2.177
116 1HB ARG 14 2HB ARG 14 6.240 -0.774 -3.391
117 2HB ARG 14 1HB ARG 14 4.702 -0.138 -3.945
118 1HG ARG 14 2HG ARG 14 6.570 1.516 -3.841
119 2HG ARG 14 1HG ARG 14 5.117 1.979 -2.959
120 1HD ARG 14 2HD ARG 14 6.320 2.225 -1.109
121 2HD ARG 14 1HD ARG 14 6.792 0.529 -1.184
122 HE ARG 14 HE ARG 14 8.373 2.813 -1.951
123 1HH1 ARG 14 1HH1 ARG 14 7.933 -0.635 -2.290
124 2HH1 ARG 14 2HH1 ARG 14 9.579 -0.925 -2.738
125 1HH2 ARG 14 1HH2 ARG 14 10.537 2.430 -2.540
126 2HH2 ARG 14 2HH2 ARG 14 11.058 0.813 -2.880
127 H ARG 15 H ARG 15 4.223 -2.185 0.118
128 HA ARG 15 HA ARG 15 6.542 -3.841 0.001
129 1HB ARG 15 2HB ARG 15 6.526 -1.482 1.804
130 2HB ARG 15 1HB ARG 15 7.127 -2.990 2.477
131 1HG ARG 15 2HG ARG 15 9.086 -2.629 1.520
132 2HG ARG 15 1HG ARG 15 8.318 -2.671 -0.068
133 1HD ARG 15 2HD ARG 15 9.362 -0.590 -0.017
134 2HD ARG 15 1HD ARG 15 7.688 -0.226 0.396
135 HE ARG 15 HE ARG 15 9.404 -0.676 2.668
136 1HH1 ARG 15 1HH1 ARG 15 8.152 1.688 0.425
137 2HH1 ARG 15 2HH1 ARG 15 8.422 3.025 1.491
138 1HH2 ARG 15 1HH2 ARG 15 9.759 1.083 4.070
139 2HH2 ARG 15 2HH2 ARG 15 9.334 2.682 3.560
140 H CYS 16 H CYS 16 4.763 -5.350 0.025
141 HA CYS 16 HA CYS 16 4.188 -6.292 2.670
142 1HB CYS 16 2HB CYS 16 2.437 -4.465 2.116
143 2HB CYS 16 1HB CYS 16 1.755 -5.661 1.021
144 H ARG 17 H ARG 17 3.809 -8.455 2.688
145 HA ARG 17 HA ARG 17 4.223 -9.899 0.257
146 1HB ARG 17 2HB ARG 17 4.902 -10.502 2.714
147 2HB ARG 17 1HB ARG 17 3.291 -11.204 2.787
148 1HG ARG 17 2HG ARG 17 3.799 -12.878 1.319
149 2HG ARG 17 1HG ARG 17 5.048 -11.935 0.503
150 1HD ARG 17 2HD ARG 17 6.526 -12.202 2.416
151 2HD ARG 17 1HD ARG 17 5.272 -13.088 3.281
152 HE ARG 17 HE ARG 17 7.008 -14.098 1.224
153 1HH1 ARG 17 1HH1 ARG 17 3.953 -14.524 2.856
154 2HH1 ARG 17 2HH1 ARG 17 3.836 -16.207 2.466
155 1HH2 ARG 17 1HH2 ARG 17 6.858 -16.313 0.713
156 2HH2 ARG 17 2HH2 ARG 17 5.487 -17.224 1.250
Start of MODEL 19
1 1H LYS 1 1HT LYS 1 -4.650 1.273 4.277
2 2H LYS 1 2HT LYS 1 -5.508 1.067 2.805
3 3H LYS 1 3HT LYS 1 -4.552 -0.213 3.431
4 HA LYS 1 HA LYS 1 -6.038 -0.055 5.450
5 1HB LYS 1 2HB LYS 1 -7.241 1.812 3.537
6 2HB LYS 1 1HB LYS 1 -8.385 0.644 4.183
7 1HG LYS 1 2HG LYS 1 -6.684 1.821 6.231
8 2HG LYS 1 1HG LYS 1 -7.652 3.012 5.361
9 1HD LYS 1 2HD LYS 1 -9.266 2.457 6.821
10 2HD LYS 1 1HD LYS 1 -9.479 1.036 5.797
11 1HE LYS 1 2HE LYS 1 -7.681 -0.047 7.275
12 2HE LYS 1 1HE LYS 1 -7.989 1.281 8.391
13 1HZ LYS 1 1HZ LYS 1 -9.379 -0.432 9.099
14 2HZ LYS 1 2HZ LYS 1 -9.839 -0.854 7.527
15 3HZ LYS 1 3HZ LYS 1 -10.411 0.579 8.218
16 H TRP 2 H TRP 2 -6.122 -0.757 2.038
17 HA TRP 2 HA TRP 2 -7.257 -3.388 2.681
18 1HB TRP 2 2HB TRP 2 -8.126 -2.984 0.092
19 2HB TRP 2 1HB TRP 2 -9.115 -2.881 1.541
20 HD1 TRP 2 HD TRP 2 -6.618 -0.218 0.236
21 HE1 TRP 2 1HE TRP 2 -7.915 1.971 -0.134
22 HE3 TRP 2 3HE TRP 2 -11.327 -1.879 1.313
23 HZ2 TRP 2 2HZ TRP 2 -10.581 2.874 0.009
24 HZ3 TRP 2 3HZ TRP 2 -13.198 -0.287 1.171
25 HH2 TRP 2 HH TRP 2 -12.831 2.040 0.532
26 H CYS 3 H CYS 3 -4.570 -1.934 1.740
27 HA CYS 3 HA CYS 3 -3.358 -4.224 0.715
28 1HB CYS 3 2HB CYS 3 -4.710 -3.749 -1.306
29 2HB CYS 3 1HB CYS 3 -3.940 -2.174 -1.435
30 H PHE 4 H PHE 4 -2.285 -3.040 2.599
31 HA PHE 4 HA PHE 4 -0.617 -1.734 3.466
32 1HB PHE 4 2HB PHE 4 1.185 -1.767 1.230
33 2HB PHE 4 1HB PHE 4 1.280 -2.663 2.740
34 HD1 PHE 4 1HD PHE 4 1.160 -2.972 -0.717
35 HD2 PHE 4 2HD PHE 4 -0.394 -4.746 2.828
36 HE1 PHE 4 1HE PHE 4 0.765 -5.072 -1.941
37 HE2 PHE 4 2HE PHE 4 -0.791 -6.846 1.609
38 HZ PHE 4 HZ PHE 4 -0.212 -7.010 -0.778
39 H ARG 5 H ARG 5 -2.642 -0.260 1.924
40 HA ARG 5 HA ARG 5 -3.001 1.754 0.892
41 1HB ARG 5 2HB ARG 5 -1.321 3.534 2.032
42 2HB ARG 5 1HB ARG 5 -2.757 2.907 2.823
43 1HG ARG 5 2HG ARG 5 -1.266 1.122 3.822
44 2HG ARG 5 1HG ARG 5 0.098 2.073 3.233
45 1HD ARG 5 2HD ARG 5 -1.826 3.712 4.649
46 2HD ARG 5 1HD ARG 5 -1.239 2.384 5.651
47 HE ARG 5 HE ARG 5 0.256 4.668 4.740
48 1HH1 ARG 5 1HH1 ARG 5 0.456 1.383 5.902
49 2HH1 ARG 5 2HH1 ARG 5 2.077 1.555 6.484
50 1HH2 ARG 5 1HH2 ARG 5 2.386 4.897 5.505
51 2HH2 ARG 5 2HH2 ARG 5 3.174 3.552 6.260
52 H VAL 6 H VAL 6 -1.822 0.506 -0.988
53 HA VAL 6 HA VAL 6 0.716 1.646 -1.756
54 HB VAL 6 HB VAL 6 -1.080 -0.048 -3.480
55 1HG1 VAL 6 1HG1 VAL 6 1.629 -0.652 -3.864
56 2HG1 VAL 6 2HG1 VAL 6 1.533 1.109 -3.785
57 3HG1 VAL 6 3HG1 VAL 6 0.557 0.224 -4.958
58 1HG2 VAL 6 1HG2 VAL 6 0.985 -1.599 -2.291
59 2HG2 VAL 6 2HG2 VAL 6 -0.761 -1.799 -2.151
60 3HG2 VAL 6 3HG2 VAL 6 0.103 -0.778 -1.004
61 H CYS 7 H CYS 7 0.261 3.843 -1.951
62 HA CYS 7 HA CYS 7 -0.054 5.722 -3.202
63 1HB CYS 7 2HB CYS 7 -0.036 3.732 -5.142
64 2HB CYS 7 1HB CYS 7 -1.520 4.622 -5.460
65 H TYR 8 H TYR 8 -1.725 5.204 -1.226
66 HA TYR 8 HA TYR 8 -3.902 6.843 -1.660
67 1HB TYR 8 2HB TYR 8 -5.798 5.326 -1.739
68 2HB TYR 8 1HB TYR 8 -4.736 4.979 -3.099
69 HD1 TYR 8 1HD TYR 8 -3.578 2.874 -3.264
70 HD2 TYR 8 2HD TYR 8 -5.919 3.793 0.162
71 HE1 TYR 8 1HE TYR 8 -3.444 0.524 -2.549
72 HE2 TYR 8 2HE TYR 8 -5.792 1.452 0.889
73 HH TYR 8 HH TYR 8 -4.009 -0.524 0.422
74 H ARG 9 H ARG 9 -5.637 6.442 0.141
75 HA ARG 9 HA ARG 9 -5.683 6.913 2.440
76 1HB ARG 9 2HB ARG 9 -5.585 3.917 2.059
77 2HB ARG 9 1HB ARG 9 -6.068 4.690 3.564
78 1HG ARG 9 2HG ARG 9 -7.797 5.943 2.152
79 2HG ARG 9 1HG ARG 9 -7.451 4.742 0.909
80 1HD ARG 9 2HD ARG 9 -8.209 2.970 2.268
81 2HD ARG 9 1HD ARG 9 -8.200 3.977 3.717
82 HE ARG 9 HE ARG 9 -10.315 3.717 1.838
83 1HH1 ARG 9 1HH1 ARG 9 -8.763 6.002 3.968
84 2HH1 ARG 9 2HH1 ARG 9 -10.176 6.987 4.145
85 1HH2 ARG 9 1HH2 ARG 9 -12.176 5.011 2.068
86 2HH2 ARG 9 2HH2 ARG 9 -12.113 6.425 3.067
87 H GLY 10 H GLY 10 -3.087 7.496 1.908
88 1HA GLY 10 2HA GLY 10 -1.743 7.517 4.200
89 2HA GLY 10 1HA GLY 10 -1.410 5.880 3.663
90 H ILE 11 H ILE 11 -0.411 5.667 1.470
91 HA ILE 11 HA ILE 11 0.973 7.971 0.407
92 HB ILE 11 HB ILE 11 3.245 7.080 0.749
93 1HG1 ILE 11 2HG1 ILE 11 2.467 5.309 2.964
94 2HG1 ILE 11 1HG1 ILE 11 1.995 4.719 1.373
95 1HG2 ILE 11 1HG2 ILE 11 1.839 7.439 3.387
96 2HG2 ILE 11 2HG2 ILE 11 2.232 8.762 2.288
97 3HG2 ILE 11 3HG2 ILE 11 3.522 7.799 3.006
98 1HD1 ILE 11 1HD1 ILE 11 4.352 5.006 0.643
99 2HD1 ILE 11 2HD1 ILE 11 4.132 3.812 1.923
100 3HD1 ILE 11 3HD1 ILE 11 4.768 5.411 2.307
101 H CYS 12 H CYS 12 2.912 6.876 -1.105
102 HA CYS 12 HA CYS 12 1.468 4.909 -2.735
103 1HB CYS 12 2HB CYS 12 1.964 7.205 -3.728
104 2HB CYS 12 1HB CYS 12 3.650 6.696 -3.762
105 H TYR 13 H TYR 13 2.193 2.946 -2.713
106 HA TYR 13 HA TYR 13 5.088 2.495 -2.423
107 1HB TYR 13 2HB TYR 13 3.382 1.893 -0.454
108 2HB TYR 13 1HB TYR 13 3.187 0.433 -1.421
109 HD1 TYR 13 1HD TYR 13 5.328 -0.839 -2.058
110 HD2 TYR 13 2HD TYR 13 5.168 2.087 1.025
111 HE1 TYR 13 1HE TYR 13 7.383 -1.772 -1.075
112 HE2 TYR 13 2HE TYR 13 7.217 1.169 2.018
113 HH TYR 13 HH TYR 13 8.558 -1.834 1.024
114 H ARG 14 H ARG 14 4.463 2.702 -4.869
115 HA ARG 14 HA ARG 14 3.207 1.223 -6.576
116 1HB ARG 14 2HB ARG 14 6.211 1.206 -6.787
117 2HB ARG 14 1HB ARG 14 5.037 1.218 -8.095
118 1HG ARG 14 2HG ARG 14 4.329 3.495 -6.931
119 2HG ARG 14 1HG ARG 14 6.007 3.439 -6.390
120 1HD ARG 14 2HD ARG 14 5.703 2.785 -9.211
121 2HD ARG 14 1HD ARG 14 5.107 4.396 -8.815
122 HE ARG 14 HE ARG 14 7.812 3.597 -8.976
123 1HH1 ARG 14 1HH1 ARG 14 5.672 5.602 -7.086
124 2HH1 ARG 14 2HH1 ARG 14 6.920 6.707 -6.614
125 1HH2 ARG 14 1HH2 ARG 14 9.455 5.048 -8.355
126 2HH2 ARG 14 2HH2 ARG 14 9.068 6.391 -7.334
127 H ARG 15 H ARG 15 2.370 -0.726 -5.905
128 HA ARG 15 HA ARG 15 3.638 -3.059 -6.640
129 1HB ARG 15 2HB ARG 15 4.435 -2.177 -4.000
130 2HB ARG 15 1HB ARG 15 3.647 -3.747 -3.932
131 1HG ARG 15 2HG ARG 15 5.855 -3.182 -5.881
132 2HG ARG 15 1HG ARG 15 6.181 -3.693 -4.224
133 1HD ARG 15 2HD ARG 15 6.182 -5.627 -5.654
134 2HD ARG 15 1HD ARG 15 4.763 -5.687 -4.610
135 HE ARG 15 HE ARG 15 3.455 -5.607 -6.473
136 1HH1 ARG 15 1HH1 ARG 15 6.623 -4.401 -7.309
137 2HH1 ARG 15 2HH1 ARG 15 6.259 -4.254 -8.995
138 1HH2 ARG 15 1HH2 ARG 15 2.974 -5.413 -8.691
139 2HH2 ARG 15 2HH2 ARG 15 4.187 -4.827 -9.780
140 H CYS 16 H CYS 16 1.971 -2.757 -3.571
141 HA CYS 16 HA CYS 16 -0.027 -3.539 -2.826
142 1HB CYS 16 2HB CYS 16 -0.811 -1.742 -4.397
143 2HB CYS 16 1HB CYS 16 -1.016 -2.981 -5.625
144 H ARG 17 H ARG 17 1.798 -5.477 -3.787
145 HA ARG 17 HA ARG 17 0.614 -7.376 -5.497
146 1HB ARG 17 2HB ARG 17 3.039 -7.269 -4.861
147 2HB ARG 17 1HB ARG 17 2.601 -7.927 -3.291
148 1HG ARG 17 2HG ARG 17 2.457 -10.008 -4.076
149 2HG ARG 17 1HG ARG 17 1.573 -9.501 -5.517
150 1HD ARG 17 2HD ARG 17 3.842 -10.540 -5.915
151 2HD ARG 17 1HD ARG 17 3.567 -8.971 -6.670
152 HE ARG 17 HE ARG 17 4.820 -8.810 -4.088
153 1HH1 ARG 17 1HH1 ARG 17 5.367 -9.210 -7.511
154 2HH1 ARG 17 2HH1 ARG 17 6.995 -8.625 -7.447
155 1HH2 ARG 17 1HH2 ARG 17 6.960 -8.041 -4.001
156 2HH2 ARG 17 2HH2 ARG 17 7.901 -7.962 -5.454
Start of MODEL 20
1 1H LYS 1 1HT LYS 1 -12.485 1.257 0.451
2 2H LYS 1 2HT LYS 1 -10.936 1.837 0.906
3 3H LYS 1 3HT LYS 1 -12.192 1.738 2.069
4 HA LYS 1 HA LYS 1 -10.697 -0.033 2.401
5 1HB LYS 1 2HB LYS 1 -13.115 -0.382 2.734
6 2HB LYS 1 1HB LYS 1 -13.267 -0.914 1.066
7 1HG LYS 1 2HG LYS 1 -11.234 -2.456 2.334
8 2HG LYS 1 1HG LYS 1 -12.676 -2.456 3.353
9 1HD LYS 1 2HD LYS 1 -13.998 -3.413 1.684
10 2HD LYS 1 1HD LYS 1 -12.866 -2.974 0.405
11 1HE LYS 1 2HE LYS 1 -11.848 -4.774 2.519
12 2HE LYS 1 1HE LYS 1 -13.053 -5.448 1.423
13 1HZ LYS 1 1HZ LYS 1 -10.446 -5.421 0.907
14 2HZ LYS 1 2HZ LYS 1 -10.893 -3.967 0.168
15 3HZ LYS 1 3HZ LYS 1 -11.630 -5.416 -0.302
16 H TRP 2 H TRP 2 -9.109 0.554 0.565
17 HA TRP 2 HA TRP 2 -9.346 -1.105 -1.802
18 1HB TRP 2 2HB TRP 2 -7.871 1.242 -1.027
19 2HB TRP 2 1HB TRP 2 -6.766 0.035 -1.675
20 HD1 TRP 2 HD TRP 2 -8.289 2.903 -2.919
21 HE1 TRP 2 1HE TRP 2 -8.962 2.740 -5.398
22 HE3 TRP 2 3HE TRP 2 -8.155 -2.180 -3.467
23 HZ2 TRP 2 2HZ TRP 2 -9.378 0.724 -7.331
24 HZ3 TRP 2 3HZ TRP 2 -8.704 -3.145 -5.664
25 HH2 TRP 2 HH TRP 2 -9.303 -1.720 -7.554
26 H CYS 3 H CYS 3 -6.627 -1.764 -2.193
27 HA CYS 3 HA CYS 3 -6.355 -4.287 -1.279
28 1HB CYS 3 2HB CYS 3 -4.169 -2.247 -1.704
29 2HB CYS 3 1HB CYS 3 -3.852 -3.955 -1.431
30 H PHE 4 H PHE 4 -4.368 -1.782 0.245
31 HA PHE 4 HA PHE 4 -5.212 -2.034 2.860
32 1HB PHE 4 2HB PHE 4 -3.728 -3.571 3.912
33 2HB PHE 4 1HB PHE 4 -4.437 -4.423 2.551
34 HD1 PHE 4 1HD PHE 4 -1.662 -4.495 4.270
35 HD2 PHE 4 2HD PHE 4 -2.819 -3.515 0.292
36 HE1 PHE 4 1HE PHE 4 0.593 -5.071 3.474
37 HE2 PHE 4 2HE PHE 4 -0.567 -4.089 -0.509
38 HZ PHE 4 HZ PHE 4 1.143 -4.869 1.083
39 H ARG 5 H ARG 5 -2.633 -1.510 0.626
40 HA ARG 5 HA ARG 5 -1.808 0.867 2.078
41 1HB ARG 5 2HB ARG 5 0.219 -1.193 1.190
42 2HB ARG 5 1HB ARG 5 0.543 0.309 2.045
43 1HG ARG 5 2HG ARG 5 -0.520 -0.514 4.024
44 2HG ARG 5 1HG ARG 5 -1.067 -1.962 3.180
45 1HD ARG 5 2HD ARG 5 1.326 -2.549 2.788
46 2HD ARG 5 1HD ARG 5 1.774 -1.186 3.812
47 HE ARG 5 HE ARG 5 0.061 -2.649 5.347
48 1HH1 ARG 5 1HH1 ARG 5 3.032 -3.340 3.650
49 2HH1 ARG 5 2HH1 ARG 5 3.528 -4.567 4.766
50 1HH2 ARG 5 1HH2 ARG 5 0.712 -4.262 6.814
51 2HH2 ARG 5 2HH2 ARG 5 2.212 -5.092 6.563
52 H VAL 6 H VAL 6 0.496 1.291 0.443
53 HA VAL 6 HA VAL 6 1.204 1.838 -1.662
54 HB VAL 6 HB VAL 6 0.179 1.224 -3.631
55 1HG1 VAL 6 1HG1 VAL 6 0.440 -0.914 -3.165
56 2HG1 VAL 6 2HG1 VAL 6 -1.245 -0.982 -2.654
57 3HG1 VAL 6 3HG1 VAL 6 0.026 -0.656 -1.476
58 1HG2 VAL 6 1HG2 VAL 6 -2.473 0.465 -3.139
59 2HG2 VAL 6 2HG2 VAL 6 -1.906 1.859 -4.057
60 3HG2 VAL 6 3HG2 VAL 6 -2.268 2.023 -2.341
61 H CYS 7 H CYS 7 -0.104 3.301 -3.650
62 HA CYS 7 HA CYS 7 -0.150 5.828 -2.532
63 1HB CYS 7 2HB CYS 7 -0.303 4.852 -5.102
64 2HB CYS 7 1HB CYS 7 -1.856 5.654 -4.888
65 H TYR 8 H TYR 8 -1.918 7.392 -2.428
66 HA TYR 8 HA TYR 8 -3.794 8.071 -1.332
67 1HB TYR 8 2HB TYR 8 -5.903 7.016 -1.926
68 2HB TYR 8 1HB TYR 8 -4.895 7.122 -3.365
69 HD1 TYR 8 1HD TYR 8 -4.587 5.230 -4.678
70 HD2 TYR 8 2HD TYR 8 -5.802 4.760 -0.633
71 HE1 TYR 8 1HE TYR 8 -4.825 2.809 -5.037
72 HE2 TYR 8 2HE TYR 8 -6.047 2.340 -0.970
73 HH TYR 8 HH TYR 8 -5.067 0.600 -2.561
74 H ARG 9 H ARG 9 -5.522 7.224 0.340
75 HA ARG 9 HA ARG 9 -5.477 6.624 2.597
76 1HB ARG 9 2HB ARG 9 -6.891 5.014 1.394
77 2HB ARG 9 1HB ARG 9 -5.492 3.990 1.108
78 1HG ARG 9 2HG ARG 9 -5.693 3.015 3.083
79 2HG ARG 9 1HG ARG 9 -5.813 4.564 3.920
80 1HD ARG 9 2HD ARG 9 -8.217 4.650 3.155
81 2HD ARG 9 1HD ARG 9 -8.022 2.979 2.626
82 HE ARG 9 HE ARG 9 -8.127 2.308 4.816
83 1HH1 ARG 9 1HH1 ARG 9 -7.612 5.758 4.712
84 2HH1 ARG 9 2HH1 ARG 9 -7.848 5.971 6.414
85 1HH2 ARG 9 1HH2 ARG 9 -8.438 2.587 7.058
86 2HH2 ARG 9 2HH2 ARG 9 -8.316 4.172 7.745
87 H GLY 10 H GLY 10 -2.799 7.172 1.881
88 1HA GLY 10 2HA GLY 10 -1.339 6.156 3.946
89 2HA GLY 10 1HA GLY 10 -1.137 4.959 2.679
90 H ILE 11 H ILE 11 -0.455 5.956 0.478
91 HA ILE 11 HA ILE 11 0.896 8.426 0.381
92 HB ILE 11 HB ILE 11 3.271 7.186 0.204
93 1HG1 ILE 11 2HG1 ILE 11 2.358 5.897 2.712
94 2HG1 ILE 11 1HG1 ILE 11 1.834 5.126 1.217
95 1HG2 ILE 11 1HG2 ILE 11 2.620 7.901 2.974
96 2HG2 ILE 11 2HG2 ILE 11 2.178 9.106 1.765
97 3HG2 ILE 11 3HG2 ILE 11 3.847 8.549 1.885
98 1HD1 ILE 11 1HD1 ILE 11 4.179 4.980 0.498
99 2HD1 ILE 11 2HD1 ILE 11 3.884 4.122 2.012
100 3HD1 ILE 11 3HD1 ILE 11 4.676 5.698 2.030
101 H CYS 12 H CYS 12 2.556 5.555 -0.790
102 HA CYS 12 HA CYS 12 1.296 5.227 -3.255
103 1HB CYS 12 2HB CYS 12 2.680 7.601 -3.284
104 2HB CYS 12 1HB CYS 12 3.811 6.464 -4.019
105 H TYR 13 H TYR 13 2.101 3.497 -1.463
106 HA TYR 13 HA TYR 13 4.673 2.372 -2.118
107 1HB TYR 13 2HB TYR 13 3.089 2.254 0.090
108 2HB TYR 13 1HB TYR 13 2.688 0.722 -0.675
109 HD1 TYR 13 1HD TYR 13 4.501 -0.935 -1.121
110 HD2 TYR 13 2HD TYR 13 5.156 2.576 1.187
111 HE1 TYR 13 1HE TYR 13 6.541 -1.936 -0.196
112 HE2 TYR 13 2HE TYR 13 7.200 1.592 2.122
113 HH TYR 13 HH TYR 13 8.007 -1.731 1.686
114 H ARG 14 H ARG 14 4.339 2.100 -4.403
115 HA ARG 14 HA ARG 14 2.359 0.799 -5.735
116 1HB ARG 14 2HB ARG 14 5.322 0.498 -6.247
117 2HB ARG 14 1HB ARG 14 4.045 0.141 -7.402
118 1HG ARG 14 2HG ARG 14 3.501 2.385 -7.686
119 2HG ARG 14 1HG ARG 14 4.296 2.868 -6.187
120 1HD ARG 14 2HD ARG 14 6.274 3.117 -7.195
121 2HD ARG 14 1HD ARG 14 6.115 1.594 -8.071
122 HE ARG 14 HE ARG 14 5.486 4.229 -9.037
123 1HH1 ARG 14 1HH1 ARG 14 4.894 0.813 -9.427
124 2HH1 ARG 14 2HH1 ARG 14 4.390 0.960 -11.077
125 1HH2 ARG 14 1HH2 ARG 14 4.824 4.427 -11.208
126 2HH2 ARG 14 2HH2 ARG 14 4.350 3.012 -12.089
127 H ARG 15 H ARG 15 1.356 -0.924 -4.844
128 HA ARG 15 HA ARG 15 2.297 -3.498 -5.239
129 1HB ARG 15 2HB ARG 15 3.280 -2.303 -2.787
130 2HB ARG 15 1HB ARG 15 2.289 -3.707 -2.432
131 1HG ARG 15 2HG ARG 15 4.802 -3.567 -4.062
132 2HG ARG 15 1HG ARG 15 4.493 -4.494 -2.596
133 1HD ARG 15 2HD ARG 15 4.131 -6.212 -3.984
134 2HD ARG 15 1HD ARG 15 2.574 -5.446 -4.293
135 HE ARG 15 HE ARG 15 4.603 -4.407 -5.994
136 1HH1 ARG 15 1HH1 ARG 15 2.492 -7.148 -5.545
137 2HH1 ARG 15 2HH1 ARG 15 2.466 -7.562 -7.226
138 1HH2 ARG 15 1HH2 ARG 15 4.567 -4.945 -8.205
139 2HH2 ARG 15 2HH2 ARG 15 3.644 -6.310 -8.737
140 H CYS 16 H CYS 16 1.036 -4.918 -3.181
141 HA CYS 16 HA CYS 16 -1.440 -4.055 -2.310
142 1HB CYS 16 2HB CYS 16 -2.072 -3.713 -4.642
143 2HB CYS 16 1HB CYS 16 -1.608 -5.364 -5.037
144 H ARG 17 H ARG 17 -2.774 -5.788 -1.478
145 HA ARG 17 HA ARG 17 -1.419 -7.814 -0.229
146 1HB ARG 17 2HB ARG 17 -4.314 -7.787 -1.091
147 2HB ARG 17 1HB ARG 17 -3.629 -8.923 0.063
148 1HG ARG 17 2HG ARG 17 -3.132 -7.146 1.600
149 2HG ARG 17 1HG ARG 17 -3.637 -5.935 0.419
150 1HD ARG 17 2HD ARG 17 -5.858 -6.361 0.726
151 2HD ARG 17 1HD ARG 17 -5.586 -8.051 1.148
152 HE ARG 17 HE ARG 17 -4.548 -6.331 3.148
153 1HH1 ARG 17 1HH1 ARG 17 -7.545 -7.614 1.903
154 2HH1 ARG 17 2HH1 ARG 17 -8.374 -7.488 3.417
155 1HH2 ARG 17 1HH2 ARG 17 -5.636 -6.163 5.142
156 2HH2 ARG 17 2HH2 ARG 17 -7.290 -6.664 5.257
Start of MODEL 21
1 1H LYS 1 1HT LYS 1 -10.923 -2.678 -2.076
2 2H LYS 1 2HT LYS 1 -10.782 -3.568 -0.616
3 3H LYS 1 3HT LYS 1 -9.712 -3.882 -1.920
4 HA LYS 1 HA LYS 1 -8.623 -1.889 -1.670
5 1HB LYS 1 2HB LYS 1 -9.495 -0.248 0.090
6 2HB LYS 1 1HB LYS 1 -10.399 -0.364 -1.412
7 1HG LYS 1 2HG LYS 1 -11.965 -0.277 0.369
8 2HG LYS 1 1HG LYS 1 -11.967 -1.927 -0.261
9 1HD LYS 1 2HD LYS 1 -10.744 -2.740 1.582
10 2HD LYS 1 1HD LYS 1 -10.288 -1.115 2.097
11 1HE LYS 1 2HE LYS 1 -12.101 -2.264 3.447
12 2HE LYS 1 1HE LYS 1 -12.461 -0.638 2.869
13 1HZ LYS 1 1HZ LYS 1 -14.162 -2.598 2.589
14 2HZ LYS 1 2HZ LYS 1 -13.258 -2.899 1.190
15 3HZ LYS 1 3HZ LYS 1 -14.007 -1.398 1.406
16 H TRP 2 H TRP 2 -7.384 -1.056 0.322
17 HA TRP 2 HA TRP 2 -6.093 -1.486 2.142
18 1HB TRP 2 2HB TRP 2 -8.362 -1.722 3.237
19 2HB TRP 2 1HB TRP 2 -8.208 -3.462 3.005
20 HD1 TRP 2 HD TRP 2 -5.466 -1.025 4.245
21 HE1 TRP 2 1HE TRP 2 -4.668 -1.837 6.554
22 HE3 TRP 2 3HE TRP 2 -8.728 -4.903 4.917
23 HZ2 TRP 2 2HZ TRP 2 -5.334 -3.851 8.414
24 HZ3 TRP 2 3HZ TRP 2 -8.582 -6.223 6.989
25 HH2 TRP 2 HH TRP 2 -6.919 -5.706 8.700
26 H CYS 3 H CYS 3 -5.593 -2.911 -0.239
27 HA CYS 3 HA CYS 3 -4.875 -5.610 0.633
28 1HB CYS 3 2HB CYS 3 -5.956 -5.487 -1.528
29 2HB CYS 3 1HB CYS 3 -4.787 -4.295 -2.088
30 H PHE 4 H PHE 4 -3.498 -2.526 0.376
31 HA PHE 4 HA PHE 4 -0.934 -3.518 1.159
32 1HB PHE 4 2HB PHE 4 0.215 -2.313 -0.821
33 2HB PHE 4 1HB PHE 4 -0.446 -3.918 -1.070
34 HD1 PHE 4 1HD PHE 4 -0.403 -3.465 -3.492
35 HD2 PHE 4 2HD PHE 4 -2.806 -1.167 -0.839
36 HE1 PHE 4 1HE PHE 4 -1.720 -2.645 -5.398
37 HE2 PHE 4 2HE PHE 4 -4.127 -0.345 -2.739
38 HZ PHE 4 HZ PHE 4 -3.586 -1.082 -5.024
39 H ARG 5 H ARG 5 -3.221 -1.095 1.103
40 HA ARG 5 HA ARG 5 -3.265 1.095 1.740
41 1HB ARG 5 2HB ARG 5 -0.997 0.070 3.453
42 2HB ARG 5 1HB ARG 5 -1.790 1.622 3.690
43 1HG ARG 5 2HG ARG 5 -3.951 0.130 3.763
44 2HG ARG 5 1HG ARG 5 -2.792 -1.123 4.211
45 1HD ARG 5 2HD ARG 5 -2.412 -0.222 6.241
46 2HD ARG 5 1HD ARG 5 -2.459 1.430 5.625
47 HE ARG 5 HE ARG 5 -4.550 0.085 6.939
48 1HH1 ARG 5 1HH1 ARG 5 -4.007 2.194 4.209
49 2HH1 ARG 5 2HH1 ARG 5 -5.594 2.882 4.267
50 1HH2 ARG 5 1HH2 ARG 5 -6.636 0.992 7.016
51 2HH2 ARG 5 2HH2 ARG 5 -7.086 2.202 5.862
52 H VAL 6 H VAL 6 -1.768 0.565 -0.606
53 HA VAL 6 HA VAL 6 0.610 2.203 -0.475
54 HB VAL 6 HB VAL 6 0.939 1.644 -2.811
55 1HG1 VAL 6 1HG1 VAL 6 0.553 -1.004 -2.394
56 2HG1 VAL 6 2HG1 VAL 6 0.486 -0.383 -0.746
57 3HG1 VAL 6 3HG1 VAL 6 1.906 -0.075 -1.744
58 1HG2 VAL 6 1HG2 VAL 6 -0.948 -0.239 -3.475
59 2HG2 VAL 6 2HG2 VAL 6 -0.902 1.423 -4.065
60 3HG2 VAL 6 3HG2 VAL 6 -1.903 1.007 -2.674
61 H CYS 7 H CYS 7 0.011 3.085 -3.365
62 HA CYS 7 HA CYS 7 -0.319 5.656 -3.204
63 1HB CYS 7 2HB CYS 7 -1.302 3.737 -5.189
64 2HB CYS 7 1HB CYS 7 -2.053 5.328 -5.260
65 H TYR 8 H TYR 8 -1.561 7.189 -2.548
66 HA TYR 8 HA TYR 8 -3.337 8.333 -1.743
67 1HB TYR 8 2HB TYR 8 -5.067 7.905 -3.120
68 2HB TYR 8 1HB TYR 8 -4.620 6.217 -3.294
69 HD1 TYR 8 1HD TYR 8 -6.262 8.527 -0.857
70 HD2 TYR 8 2HD TYR 8 -6.042 4.598 -2.465
71 HE1 TYR 8 1HE TYR 8 -8.209 7.871 0.495
72 HE2 TYR 8 2HE TYR 8 -7.979 3.927 -1.118
73 HH TYR 8 HH TYR 8 -10.049 5.312 -0.050
74 H ARG 9 H ARG 9 -4.344 5.012 -0.955
75 HA ARG 9 HA ARG 9 -5.050 5.499 1.661
76 1HB ARG 9 2HB ARG 9 -4.297 2.924 1.897
77 2HB ARG 9 1HB ARG 9 -5.798 3.432 1.145
78 1HG ARG 9 2HG ARG 9 -3.658 3.389 -0.784
79 2HG ARG 9 1HG ARG 9 -3.795 1.842 0.041
80 1HD ARG 9 2HD ARG 9 -6.407 2.811 -0.619
81 2HD ARG 9 1HD ARG 9 -5.385 2.843 -2.055
82 HE ARG 9 HE ARG 9 -5.182 0.378 -0.621
83 1HH1 ARG 9 1HH1 ARG 9 -7.111 2.148 -2.930
84 2HH1 ARG 9 2HH1 ARG 9 -7.767 0.723 -3.663
85 1HH2 ARG 9 1HH2 ARG 9 -6.044 -1.497 -1.583
86 2HH2 ARG 9 2HH2 ARG 9 -7.162 -1.345 -2.900
87 H GLY 10 H GLY 10 -3.350 6.990 2.348
88 1HA GLY 10 2HA GLY 10 -1.835 7.193 4.128
89 2HA GLY 10 1HA GLY 10 -1.343 5.531 3.876
90 H ILE 11 H ILE 11 -1.007 6.244 0.893
91 HA ILE 11 HA ILE 11 0.806 8.167 0.293
92 HB ILE 11 HB ILE 11 3.021 6.728 0.510
93 1HG1 ILE 11 2HG1 ILE 11 2.273 5.988 3.199
94 2HG1 ILE 11 1HG1 ILE 11 1.253 5.162 2.027
95 1HG2 ILE 11 1HG2 ILE 11 1.847 8.855 2.012
96 2HG2 ILE 11 2HG2 ILE 11 3.537 8.580 1.587
97 3HG2 ILE 11 3HG2 ILE 11 2.871 7.872 3.058
98 1HD1 ILE 11 1HD1 ILE 11 4.206 5.000 2.395
99 2HD1 ILE 11 2HD1 ILE 11 3.464 4.583 0.850
100 3HD1 ILE 11 3HD1 ILE 11 3.011 3.705 2.310
101 H CYS 12 H CYS 12 2.850 6.828 -1.154
102 HA CYS 12 HA CYS 12 1.315 5.019 -2.904
103 1HB CYS 12 2HB CYS 12 2.865 7.460 -3.596
104 2HB CYS 12 1HB CYS 12 3.006 6.090 -4.690
105 H TYR 13 H TYR 13 2.186 3.069 -2.449
106 HA TYR 13 HA TYR 13 4.956 2.670 -3.188
107 1HB TYR 13 2HB TYR 13 5.780 1.856 -1.187
108 2HB TYR 13 1HB TYR 13 4.749 3.164 -0.631
109 HD1 TYR 13 1HD TYR 13 5.494 -0.317 -0.386
110 HD2 TYR 13 2HD TYR 13 2.402 2.545 0.198
111 HE1 TYR 13 1HE TYR 13 4.330 -1.890 1.101
112 HE2 TYR 13 2HE TYR 13 1.226 0.979 1.686
113 HH TYR 13 HH TYR 13 1.915 -2.263 1.862
114 H ARG 14 H ARG 14 2.504 1.971 -4.353
115 HA ARG 14 HA ARG 14 1.130 -0.172 -4.280
116 1HB ARG 14 2HB ARG 14 2.461 -0.761 -6.684
117 2HB ARG 14 1HB ARG 14 0.999 0.188 -6.471
118 1HG ARG 14 2HG ARG 14 2.541 1.460 -7.769
119 2HG ARG 14 1HG ARG 14 2.426 2.210 -6.176
120 1HD ARG 14 2HD ARG 14 4.749 2.029 -7.087
121 2HD ARG 14 1HD ARG 14 4.518 1.283 -5.507
122 HE ARG 14 HE ARG 14 4.961 -0.766 -6.436
123 1HH1 ARG 14 1HH1 ARG 14 4.421 1.554 -8.987
124 2HH1 ARG 14 2HH1 ARG 14 4.952 0.485 -10.241
125 1HH2 ARG 14 1HH2 ARG 14 5.658 -2.173 -8.086
126 2HH2 ARG 14 2HH2 ARG 14 5.653 -1.631 -9.730
127 H ARG 15 H ARG 15 1.165 -2.238 -3.737
128 HA ARG 15 HA ARG 15 2.850 -4.237 -4.462
129 1HB ARG 15 2HB ARG 15 4.164 -2.512 -2.554
130 2HB ARG 15 1HB ARG 15 3.974 -4.126 -1.882
131 1HG ARG 15 2HG ARG 15 5.026 -3.846 -4.650
132 2HG ARG 15 1HG ARG 15 6.087 -3.479 -3.289
133 1HD ARG 15 2HD ARG 15 6.420 -5.768 -3.837
134 2HD ARG 15 1HD ARG 15 5.487 -5.723 -2.342
135 HE ARG 15 HE ARG 15 3.882 -5.920 -4.723
136 1HH1 ARG 15 1HH1 ARG 15 5.641 -7.704 -2.294
137 2HH1 ARG 15 2HH1 ARG 15 4.729 -9.157 -2.521
138 1HH2 ARG 15 1HH2 ARG 15 2.681 -7.830 -5.024
139 2HH2 ARG 15 2HH2 ARG 15 3.048 -9.229 -4.072
140 H CYS 16 H CYS 16 0.968 -5.426 -4.293
141 HA CYS 16 HA CYS 16 -0.491 -5.574 -1.812
142 1HB CYS 16 2HB CYS 16 -0.831 -6.602 -4.558
143 2HB CYS 16 1HB CYS 16 -1.488 -7.628 -3.288
144 H ARG 17 H ARG 17 0.684 -6.474 -0.204
145 HA ARG 17 HA ARG 17 2.503 -8.583 -0.442
146 1HB ARG 17 2HB ARG 17 1.478 -6.970 1.631
147 2HB ARG 17 1HB ARG 17 1.206 -8.633 2.132
148 1HG ARG 17 2HG ARG 17 3.300 -8.609 2.871
149 2HG ARG 17 1HG ARG 17 3.790 -8.677 1.177
150 1HD ARG 17 2HD ARG 17 4.974 -6.854 2.013
151 2HD ARG 17 1HD ARG 17 3.579 -6.116 1.227
152 HE ARG 17 HE ARG 17 2.964 -5.286 3.254
153 1HH1 ARG 17 1HH1 ARG 17 5.015 -8.059 3.798
154 2HH1 ARG 17 2HH1 ARG 17 5.048 -7.853 5.516
155 1HH2 ARG 17 1HH2 ARG 17 3.007 -5.016 5.514
156 2HH2 ARG 17 2HH2 ARG 17 3.908 -6.127 6.491
Start of MODEL 22
1 1H LYS 1 1HT LYS 1 -6.411 3.280 1.683
2 2H LYS 1 2HT LYS 1 -7.630 2.437 0.817
3 3H LYS 1 3HT LYS 1 -6.358 3.220 -0.029
4 HA LYS 1 HA LYS 1 -4.780 1.728 0.757
5 1HB LYS 1 2HB LYS 1 -5.319 0.010 2.384
6 2HB LYS 1 1HB LYS 1 -5.720 1.591 3.038
7 1HG LYS 1 2HG LYS 1 -8.017 0.571 1.712
8 2HG LYS 1 1HG LYS 1 -7.380 -0.684 2.777
9 1HD LYS 1 2HD LYS 1 -7.438 1.993 3.969
10 2HD LYS 1 1HD LYS 1 -9.029 1.352 3.552
11 1HE LYS 1 2HE LYS 1 -8.989 0.091 5.377
12 2HE LYS 1 1HE LYS 1 -7.560 -0.742 4.764
13 1HZ LYS 1 1HZ LYS 1 -7.177 1.867 6.031
14 2HZ LYS 1 2HZ LYS 1 -6.174 0.503 6.039
15 3HZ LYS 1 3HZ LYS 1 -7.539 0.555 7.037
16 H TRP 2 H TRP 2 -7.350 1.848 -1.091
17 HA TRP 2 HA TRP 2 -7.940 -0.849 -1.734
18 1HB TRP 2 2HB TRP 2 -8.150 1.413 -3.708
19 2HB TRP 2 1HB TRP 2 -9.177 -0.008 -3.549
20 HD1 TRP 2 HD TRP 2 -8.702 3.508 -2.197
21 HE1 TRP 2 1HE TRP 2 -10.724 4.124 -0.730
22 HE3 TRP 2 3HE TRP 2 -10.967 -1.070 -1.970
23 HZ2 TRP 2 2HZ TRP 2 -12.981 2.840 0.378
24 HZ3 TRP 2 3HZ TRP 2 -13.053 -1.291 -0.683
25 HH2 TRP 2 HH TRP 2 -14.037 0.625 0.468
26 H CYS 3 H CYS 3 -5.229 1.098 -2.371
27 HA CYS 3 HA CYS 3 -4.374 -0.561 -4.644
28 1HB CYS 3 2HB CYS 3 -4.331 2.117 -4.419
29 2HB CYS 3 1HB CYS 3 -2.757 1.755 -3.725
30 H PHE 4 H PHE 4 -4.117 -2.296 -2.922
31 HA PHE 4 HA PHE 4 -2.814 -3.601 -1.580
32 1HB PHE 4 2HB PHE 4 -1.312 -2.892 -3.725
33 2HB PHE 4 1HB PHE 4 -0.293 -2.306 -2.418
34 HD1 PHE 4 1HD PHE 4 -0.119 -4.109 -0.398
35 HD2 PHE 4 2HD PHE 4 -0.867 -4.993 -4.493
36 HE1 PHE 4 1HE PHE 4 0.747 -6.384 -0.060
37 HE2 PHE 4 2HE PHE 4 -0.002 -7.272 -4.161
38 HZ PHE 4 HZ PHE 4 0.807 -7.970 -1.942
39 H ARG 5 H ARG 5 -3.701 -0.990 -0.574
40 HA ARG 5 HA ARG 5 -3.400 0.432 1.169
41 1HB ARG 5 2HB ARG 5 -1.817 -1.837 2.368
42 2HB ARG 5 1HB ARG 5 -2.692 -0.579 3.228
43 1HG ARG 5 2HG ARG 5 -4.648 -1.651 3.061
44 2HG ARG 5 1HG ARG 5 -4.346 -2.148 1.396
45 1HD ARG 5 2HD ARG 5 -2.645 -3.464 3.386
46 2HD ARG 5 1HD ARG 5 -4.364 -3.813 3.556
47 HE ARG 5 HE ARG 5 -3.917 -4.192 0.917
48 1HH1 ARG 5 1HH1 ARG 5 -2.371 -5.404 3.800
49 2HH1 ARG 5 2HH1 ARG 5 -1.900 -6.902 3.070
50 1HH2 ARG 5 1HH2 ARG 5 -3.304 -6.164 -0.046
51 2HH2 ARG 5 2HH2 ARG 5 -2.430 -7.333 0.885
52 H VAL 6 H VAL 6 -1.442 0.666 -0.909
53 HA VAL 6 HA VAL 6 0.567 2.105 0.586
54 HB VAL 6 HB VAL 6 2.337 1.146 -1.034
55 1HG1 VAL 6 1HG1 VAL 6 3.088 0.298 0.871
56 2HG1 VAL 6 2HG1 VAL 6 1.924 -1.024 0.782
57 3HG1 VAL 6 3HG1 VAL 6 1.480 0.494 1.566
58 1HG2 VAL 6 1HG2 VAL 6 1.664 -0.446 -2.435
59 2HG2 VAL 6 2HG2 VAL 6 0.063 -0.475 -1.701
60 3HG2 VAL 6 3HG2 VAL 6 1.349 -1.488 -1.049
61 H CYS 7 H CYS 7 -1.437 3.206 -0.658
62 HA CYS 7 HA CYS 7 -0.326 5.014 -2.424
63 1HB CYS 7 2HB CYS 7 -1.022 2.602 -3.742
64 2HB CYS 7 1HB CYS 7 -2.183 3.826 -4.242
65 H TYR 8 H TYR 8 -1.573 6.775 -2.571
66 HA TYR 8 HA TYR 8 -3.365 8.154 -2.298
67 1HB TYR 8 2HB TYR 8 -4.567 6.172 -3.530
68 2HB TYR 8 1HB TYR 8 -5.219 5.812 -1.934
69 HD1 TYR 8 1HD TYR 8 -4.744 8.832 -4.106
70 HD2 TYR 8 2HD TYR 8 -7.301 6.658 -1.498
71 HE1 TYR 8 1HE TYR 8 -6.500 10.524 -4.430
72 HE2 TYR 8 2HE TYR 8 -9.060 8.342 -1.798
73 HH TYR 8 HH TYR 8 -8.933 10.711 -4.244
74 H ARG 9 H ARG 9 -5.654 7.034 -0.448
75 HA ARG 9 HA ARG 9 -5.080 8.217 1.893
76 1HB ARG 9 2HB ARG 9 -6.758 5.879 1.161
77 2HB ARG 9 1HB ARG 9 -6.449 6.119 2.875
78 1HG ARG 9 2HG ARG 9 -8.366 7.327 2.646
79 2HG ARG 9 1HG ARG 9 -7.181 8.589 2.318
80 1HD ARG 9 2HD ARG 9 -7.554 8.502 0.024
81 2HD ARG 9 1HD ARG 9 -8.355 6.936 0.116
82 HE ARG 9 HE ARG 9 -9.532 9.533 0.561
83 1HH1 ARG 9 1HH1 ARG 9 -9.838 6.099 1.109
84 2HH1 ARG 9 2HH1 ARG 9 -11.552 6.163 1.345
85 1HH2 ARG 9 1HH2 ARG 9 -11.782 9.620 0.876
86 2HH2 ARG 9 2HH2 ARG 9 -12.656 8.164 1.212
87 H GLY 10 H GLY 10 -2.813 7.999 2.302
88 1HA GLY 10 2HA GLY 10 -1.831 6.755 4.340
89 2HA GLY 10 1HA GLY 10 -1.964 5.359 3.284
90 H ILE 11 H ILE 11 -0.845 5.654 1.085
91 HA ILE 11 HA ILE 11 1.403 7.463 1.040
92 HB ILE 11 HB ILE 11 3.129 5.697 0.951
93 1HG1 ILE 11 2HG1 ILE 11 1.160 3.765 2.122
94 2HG1 ILE 11 1HG1 ILE 11 1.265 3.938 0.373
95 1HG2 ILE 11 1HG2 ILE 11 2.499 6.914 3.066
96 2HG2 ILE 11 2HG2 ILE 11 3.334 5.376 3.280
97 3HG2 ILE 11 3HG2 ILE 11 1.591 5.474 3.523
98 1HD1 ILE 11 1HD1 ILE 11 3.016 2.562 2.216
99 2HD1 ILE 11 2HD1 ILE 11 3.888 3.659 1.146
100 3HD1 ILE 11 3HD1 ILE 11 2.855 2.402 0.467
101 H CYS 12 H CYS 12 2.738 5.173 -0.707
102 HA CYS 12 HA CYS 12 1.279 4.442 -2.871
103 1HB CYS 12 2HB CYS 12 1.448 7.285 -2.820
104 2HB CYS 12 1HB CYS 12 2.443 6.722 -4.150
105 H TYR 13 H TYR 13 2.885 2.780 -2.808
106 HA TYR 13 HA TYR 13 5.549 3.747 -3.601
107 1HB TYR 13 2HB TYR 13 6.519 1.678 -2.867
108 2HB TYR 13 1HB TYR 13 5.534 2.352 -1.586
109 HD1 TYR 13 1HD TYR 13 4.578 0.137 -4.492
110 HD2 TYR 13 2HD TYR 13 4.869 0.620 -0.276
111 HE1 TYR 13 1HE TYR 13 3.518 -2.048 -4.176
112 HE2 TYR 13 2HE TYR 13 3.801 -1.563 0.047
113 HH TYR 13 HH TYR 13 2.176 -3.199 -2.359
114 H ARG 14 H ARG 14 3.282 3.499 -5.370
115 HA ARG 14 HA ARG 14 2.693 2.676 -7.430
116 1HB ARG 14 2HB ARG 14 5.666 3.106 -7.572
117 2HB ARG 14 1HB ARG 14 4.734 2.637 -8.988
118 1HG ARG 14 2HG ARG 14 4.054 4.718 -9.316
119 2HG ARG 14 1HG ARG 14 3.482 4.854 -7.651
120 1HD ARG 14 2HD ARG 14 6.401 5.068 -8.294
121 2HD ARG 14 1HD ARG 14 5.334 6.458 -8.480
122 HE ARG 14 HE ARG 14 5.112 5.196 -5.913
123 1HH1 ARG 14 1HH1 ARG 14 6.906 7.522 -7.798
124 2HH1 ARG 14 2HH1 ARG 14 7.456 8.406 -6.414
125 1HH2 ARG 14 1HH2 ARG 14 5.834 6.359 -4.091
126 2HH2 ARG 14 2HH2 ARG 14 6.848 7.746 -4.310
127 H ARG 15 H ARG 15 1.881 0.633 -7.170
128 HA ARG 15 HA ARG 15 2.931 -1.488 -8.505
129 1HB ARG 15 2HB ARG 15 4.251 -1.182 -5.948
130 2HB ARG 15 1HB ARG 15 3.417 -2.727 -6.035
131 1HG ARG 15 2HG ARG 15 5.464 -1.694 -7.988
132 2HG ARG 15 1HG ARG 15 5.708 -2.953 -6.775
133 1HD ARG 15 2HD ARG 15 3.972 -3.040 -9.230
134 2HD ARG 15 1HD ARG 15 5.354 -4.062 -8.837
135 HE ARG 15 HE ARG 15 3.580 -4.536 -6.827
136 1HH1 ARG 15 1HH1 ARG 15 3.424 -4.699 -10.308
137 2HH1 ARG 15 2HH1 ARG 15 2.245 -5.967 -10.321
138 1HH2 ARG 15 1HH2 ARG 15 2.029 -6.204 -6.840
139 2HH2 ARG 15 2HH2 ARG 15 1.451 -6.822 -8.354
140 H CYS 16 H CYS 16 0.485 -0.745 -8.477
141 HA CYS 16 HA CYS 16 -0.997 -2.967 -7.532
142 1HB CYS 16 2HB CYS 16 -2.537 -1.548 -6.051
143 2HB CYS 16 1HB CYS 16 -0.988 -2.046 -5.380
144 H ARG 17 H ARG 17 -0.568 -1.525 -9.973
145 HA ARG 17 HA ARG 17 -3.193 -1.453 -10.974
146 1HB ARG 17 2HB ARG 17 -3.242 0.683 -9.690
147 2HB ARG 17 1HB ARG 17 -1.922 1.276 -10.691
148 1HG ARG 17 2HG ARG 17 -3.520 2.132 -11.984
149 2HG ARG 17 1HG ARG 17 -3.754 0.478 -12.558
150 1HD ARG 17 2HD ARG 17 -5.871 0.724 -11.879
151 2HD ARG 17 1HD ARG 17 -5.232 0.522 -10.249
152 HE ARG 17 HE ARG 17 -5.776 2.692 -9.847
153 1HH1 ARG 17 1HH1 ARG 17 -5.415 2.292 -13.296
154 2HH1 ARG 17 2HH1 ARG 17 -5.903 3.913 -13.660
155 1HH2 ARG 17 1HH2 ARG 17 -6.416 4.823 -10.326
156 2HH2 ARG 17 2HH2 ARG 17 -6.469 5.351 -11.975
Start of MODEL 23
1 1H LYS 1 1HT LYS 1 -12.352 -2.489 4.360
2 2H LYS 1 2HT LYS 1 -11.673 -3.051 2.887
3 3H LYS 1 3HT LYS 1 -12.061 -1.390 3.077
4 HA LYS 1 HA LYS 1 -10.433 -1.205 4.815
5 1HB LYS 1 2HB LYS 1 -10.703 -3.934 4.930
6 2HB LYS 1 1HB LYS 1 -9.159 -3.759 4.109
7 1HG LYS 1 2HG LYS 1 -8.115 -3.099 5.966
8 2HG LYS 1 1HG LYS 1 -9.431 -2.023 6.436
9 1HD LYS 1 2HD LYS 1 -10.478 -4.570 6.786
10 2HD LYS 1 1HD LYS 1 -8.812 -4.708 7.347
11 1HE LYS 1 2HE LYS 1 -10.295 -4.087 9.175
12 2HE LYS 1 1HE LYS 1 -9.148 -2.793 8.828
13 1HZ LYS 1 1HZ LYS 1 -11.838 -2.786 7.617
14 2HZ LYS 1 2HZ LYS 1 -10.789 -1.487 7.880
15 3HZ LYS 1 3HZ LYS 1 -11.599 -2.195 9.184
16 H TRP 2 H TRP 2 -9.469 0.319 3.603
17 HA TRP 2 HA TRP 2 -8.741 0.282 0.990
18 1HB TRP 2 2HB TRP 2 -6.744 1.836 1.994
19 2HB TRP 2 1HB TRP 2 -8.389 2.381 1.713
20 HD1 TRP 2 HD TRP 2 -8.554 4.113 3.634
21 HE1 TRP 2 1HE TRP 2 -8.527 3.968 6.200
22 HE3 TRP 2 3HE TRP 2 -7.034 -0.751 4.180
23 HZ2 TRP 2 2HZ TRP 2 -7.942 2.063 8.188
24 HZ3 TRP 2 3HZ TRP 2 -6.766 -1.648 6.450
25 HH2 TRP 2 HH TRP 2 -7.213 -0.270 8.413
26 H CYS 3 H CYS 3 -5.923 0.482 2.996
27 HA CYS 3 HA CYS 3 -4.782 -2.032 2.686
28 1HB CYS 3 2HB CYS 3 -4.999 -0.983 0.201
29 2HB CYS 3 1HB CYS 3 -3.442 -0.314 0.675
30 H PHE 4 H PHE 4 -2.660 -2.075 3.552
31 HA PHE 4 HA PHE 4 -1.997 -0.308 5.503
32 1HB PHE 4 2HB PHE 4 0.465 -1.146 4.220
33 2HB PHE 4 1HB PHE 4 -0.180 -1.601 5.788
34 HD1 PHE 4 1HD PHE 4 -0.843 -3.778 6.167
35 HD2 PHE 4 2HD PHE 4 -0.528 -2.371 2.156
36 HE1 PHE 4 1HE PHE 4 -1.246 -6.057 5.340
37 HE2 PHE 4 2HE PHE 4 -0.931 -4.655 1.329
38 HZ PHE 4 HZ PHE 4 -1.292 -6.499 2.919
39 H ARG 5 H ARG 5 -1.363 -0.047 2.115
40 HA ARG 5 HA ARG 5 -1.342 2.665 1.886
41 1HB ARG 5 2HB ARG 5 1.252 2.950 1.548
42 2HB ARG 5 1HB ARG 5 0.540 3.119 3.146
43 1HG ARG 5 2HG ARG 5 1.155 0.398 2.887
44 2HG ARG 5 1HG ARG 5 2.531 1.274 2.219
45 1HD ARG 5 2HD ARG 5 3.065 2.252 4.210
46 2HD ARG 5 1HD ARG 5 1.405 2.218 4.798
47 HE ARG 5 HE ARG 5 2.259 -0.416 4.614
48 1HH1 ARG 5 1HH1 ARG 5 3.107 2.455 6.406
49 2HH1 ARG 5 2HH1 ARG 5 3.686 1.578 7.782
50 1HH2 ARG 5 1HH2 ARG 5 3.018 -1.573 6.422
51 2HH2 ARG 5 2HH2 ARG 5 3.636 -0.710 7.791
52 H VAL 6 H VAL 6 -0.949 3.329 -0.254
53 HA VAL 6 HA VAL 6 0.429 2.089 -2.266
54 HB VAL 6 HB VAL 6 -0.602 0.082 -2.410
55 1HG1 VAL 6 1HG1 VAL 6 -3.265 0.092 -1.956
56 2HG1 VAL 6 2HG1 VAL 6 -2.732 1.414 -0.916
57 3HG1 VAL 6 3HG1 VAL 6 -2.034 -0.195 -0.722
58 1HG2 VAL 6 1HG2 VAL 6 -1.961 -0.038 -4.266
59 2HG2 VAL 6 2HG2 VAL 6 -1.246 1.563 -4.458
60 3HG2 VAL 6 3HG2 VAL 6 -2.882 1.399 -3.819
61 H CYS 7 H CYS 7 0.597 4.229 -2.683
62 HA CYS 7 HA CYS 7 0.031 6.369 -3.262
63 1HB CYS 7 2HB CYS 7 0.039 4.566 -5.419
64 2HB CYS 7 1HB CYS 7 -1.302 5.673 -5.712
65 H TYR 8 H TYR 8 -1.744 5.438 -1.495
66 HA TYR 8 HA TYR 8 -3.801 7.246 -1.541
67 1HB TYR 8 2HB TYR 8 -4.453 5.444 -3.456
68 2HB TYR 8 1HB TYR 8 -5.143 4.644 -2.049
69 HD1 TYR 8 1HD TYR 8 -4.937 8.248 -3.016
70 HD2 TYR 8 2HD TYR 8 -7.435 4.930 -2.097
71 HE1 TYR 8 1HE TYR 8 -6.912 9.704 -3.160
72 HE2 TYR 8 2HE TYR 8 -9.419 6.377 -2.240
73 HH TYR 8 HH TYR 8 -9.829 8.974 -1.933
74 H ARG 9 H ARG 9 -5.566 6.568 0.098
75 HA ARG 9 HA ARG 9 -5.742 6.262 2.389
76 1HB ARG 9 2HB ARG 9 -5.300 3.361 1.938
77 2HB ARG 9 1HB ARG 9 -6.653 4.183 2.697
78 1HG ARG 9 2HG ARG 9 -6.284 4.464 -0.245
79 2HG ARG 9 1HG ARG 9 -6.930 2.958 0.396
80 1HD ARG 9 2HD ARG 9 -8.412 4.766 1.760
81 2HD ARG 9 1HD ARG 9 -8.144 5.633 0.250
82 HE ARG 9 HE ARG 9 -8.932 3.152 -0.543
83 1HH1 ARG 9 1HH1 ARG 9 -10.287 5.575 1.572
84 2HH1 ARG 9 2HH1 ARG 9 -11.926 5.124 1.243
85 1HH2 ARG 9 1HH2 ARG 9 -11.087 2.557 -0.976
86 2HH2 ARG 9 2HH2 ARG 9 -12.380 3.411 -0.203
87 H GLY 10 H GLY 10 -3.041 6.902 1.791
88 1HA GLY 10 2HA GLY 10 -1.690 6.540 4.073
89 2HA GLY 10 1HA GLY 10 -1.399 5.010 3.267
90 H ILE 11 H ILE 11 -0.470 5.187 1.004
91 HA ILE 11 HA ILE 11 0.890 7.539 0.163
92 HB ILE 11 HB ILE 11 3.244 6.519 0.502
93 1HG1 ILE 11 2HG1 ILE 11 3.005 5.465 3.019
94 2HG1 ILE 11 1HG1 ILE 11 1.586 4.797 2.220
95 1HG2 ILE 11 1HG2 ILE 11 2.314 7.484 3.118
96 2HG2 ILE 11 2HG2 ILE 11 1.915 8.506 1.738
97 3HG2 ILE 11 3HG2 ILE 11 3.597 8.088 2.069
98 1HD1 ILE 11 1HD1 ILE 11 3.727 3.424 2.164
99 2HD1 ILE 11 2HD1 ILE 11 4.319 4.611 1.002
100 3HD1 ILE 11 3HD1 ILE 11 2.879 3.662 0.636
101 H CYS 12 H CYS 12 2.700 6.915 -1.523
102 HA CYS 12 HA CYS 12 1.490 5.116 -3.370
103 1HB CYS 12 2HB CYS 12 3.116 7.231 -3.738
104 2HB CYS 12 1HB CYS 12 4.260 5.898 -3.932
105 H TYR 13 H TYR 13 1.583 3.318 -1.691
106 HA TYR 13 HA TYR 13 4.100 2.001 -1.348
107 1HB TYR 13 2HB TYR 13 1.854 1.878 0.033
108 2HB TYR 13 1HB TYR 13 1.502 0.569 -1.090
109 HD1 TYR 13 1HD TYR 13 4.735 1.539 0.462
110 HD2 TYR 13 2HD TYR 13 1.630 -1.357 0.192
111 HE1 TYR 13 1HE TYR 13 6.050 0.019 1.869
112 HE2 TYR 13 2HE TYR 13 2.946 -2.900 1.597
113 HH TYR 13 HH TYR 13 5.761 -1.892 3.292
114 H ARG 14 H ARG 14 5.000 0.441 -2.564
115 HA ARG 14 HA ARG 14 3.640 -0.224 -5.067
116 1HB ARG 14 2HB ARG 14 6.510 -0.865 -4.468
117 2HB ARG 14 1HB ARG 14 5.743 -0.577 -6.024
118 1HG ARG 14 2HG ARG 14 6.622 1.470 -5.910
119 2HG ARG 14 1HG ARG 14 5.375 1.822 -4.708
120 1HD ARG 14 2HD ARG 14 6.930 2.103 -3.150
121 2HD ARG 14 1HD ARG 14 7.532 0.468 -3.422
122 HE ARG 14 HE ARG 14 8.675 2.928 -4.389
123 1HH1 ARG 14 1HH1 ARG 14 8.473 -0.525 -4.855
124 2HH1 ARG 14 2HH1 ARG 14 9.988 -0.628 -5.684
125 1HH2 ARG 14 1HH2 ARG 14 10.669 2.793 -5.480
126 2HH2 ARG 14 2HH2 ARG 14 11.237 1.255 -6.040
127 H ARG 15 H ARG 15 2.512 -1.528 -3.031
128 HA ARG 15 HA ARG 15 3.126 -4.284 -3.630
129 1HB ARG 15 2HB ARG 15 4.642 -3.941 -1.784
130 2HB ARG 15 1HB ARG 15 3.369 -3.212 -0.817
131 1HG ARG 15 2HG ARG 15 2.522 -5.197 -0.193
132 2HG ARG 15 1HG ARG 15 2.813 -5.936 -1.770
133 1HD ARG 15 2HD ARG 15 5.350 -5.467 -0.723
134 2HD ARG 15 1HD ARG 15 4.400 -6.045 0.645
135 HE ARG 15 HE ARG 15 3.795 -7.807 -1.316
136 1HH1 ARG 15 1HH1 ARG 15 6.810 -6.640 -0.001
137 2HH1 ARG 15 2HH1 ARG 15 7.664 -8.112 -0.325
138 1HH2 ARG 15 1HH2 ARG 15 4.917 -9.741 -1.746
139 2HH2 ARG 15 2HH2 ARG 15 6.591 -9.872 -1.317
140 H CYS 16 H CYS 16 1.434 -3.089 -0.753
141 HA CYS 16 HA CYS 16 -0.724 -3.337 -0.061
142 1HB CYS 16 2HB CYS 16 -1.077 -1.561 -1.684
143 2HB CYS 16 1HB CYS 16 -1.258 -2.738 -2.976
144 H ARG 17 H ARG 17 -1.919 -4.479 -3.098
145 HA ARG 17 HA ARG 17 -2.881 -6.446 -3.708
146 1HB ARG 17 2HB ARG 17 -0.422 -7.441 -2.274
147 2HB ARG 17 1HB ARG 17 -1.522 -8.514 -3.129
148 1HG ARG 17 2HG ARG 17 -0.078 -6.192 -4.391
149 2HG ARG 17 1HG ARG 17 0.468 -7.870 -4.446
150 1HD ARG 17 2HD ARG 17 -2.146 -6.823 -5.530
151 2HD ARG 17 1HD ARG 17 -0.726 -7.246 -6.487
152 HE ARG 17 HE ARG 17 -1.422 -9.475 -4.965
153 1HH1 ARG 17 1HH1 ARG 17 -2.742 -7.561 -7.568
154 2HH1 ARG 17 2HH1 ARG 17 -3.632 -8.880 -8.252
155 1HH2 ARG 17 1HH2 ARG 17 -2.591 -11.209 -5.865
156 2HH2 ARG 17 2HH2 ARG 17 -3.547 -10.951 -7.286
Start of MODEL 24
1 1H LYS 1 1HT LYS 1 -3.667 0.978 1.843
2 2H LYS 1 2HT LYS 1 -5.364 1.232 1.847
3 3H LYS 1 3HT LYS 1 -4.685 -0.021 0.896
4 HA LYS 1 HA LYS 1 -5.066 0.141 3.778
5 1HB LYS 1 2HB LYS 1 -5.367 -2.166 1.859
6 2HB LYS 1 1HB LYS 1 -6.062 -2.002 3.464
7 1HG LYS 1 2HG LYS 1 -7.908 -1.176 2.572
8 2HG LYS 1 1HG LYS 1 -6.984 0.184 1.930
9 1HD LYS 1 2HD LYS 1 -6.400 -1.893 0.196
10 2HD LYS 1 1HD LYS 1 -8.113 -2.118 0.559
11 1HE LYS 1 2HE LYS 1 -8.707 -0.082 -0.351
12 2HE LYS 1 1HE LYS 1 -7.105 0.612 -0.107
13 1HZ LYS 1 1HZ LYS 1 -8.119 -0.982 -2.315
14 2HZ LYS 1 2HZ LYS 1 -6.529 -1.308 -1.838
15 3HZ LYS 1 3HZ LYS 1 -6.965 0.256 -2.310
16 H TRP 2 H TRP 2 -2.460 0.673 3.267
17 HA TRP 2 HA TRP 2 -0.410 0.008 4.005
18 1HB TRP 2 2HB TRP 2 -1.488 -2.759 4.526
19 2HB TRP 2 1HB TRP 2 -0.123 -1.953 5.294
20 HD1 TRP 2 HD TRP 2 -1.766 0.811 5.916
21 HE1 TRP 2 1HE TRP 2 -3.413 0.789 7.893
22 HE3 TRP 2 3HE TRP 2 -2.525 -4.236 6.294
23 HZ2 TRP 2 2HZ TRP 2 -4.849 -1.108 9.408
24 HZ3 TRP 2 3HZ TRP 2 -4.053 -5.068 8.035
25 HH2 TRP 2 HH TRP 2 -5.189 -3.536 9.557
26 H CYS 3 H CYS 3 0.527 -2.849 3.696
27 HA CYS 3 HA CYS 3 2.221 -2.972 1.783
28 1HB CYS 3 2HB CYS 3 0.470 -5.313 1.412
29 2HB CYS 3 1HB CYS 3 2.182 -5.232 1.799
30 H PHE 4 H PHE 4 2.571 -3.031 -0.389
31 HA PHE 4 HA PHE 4 2.128 -3.119 -2.626
32 1HB PHE 4 2HB PHE 4 -0.834 -2.991 -2.073
33 2HB PHE 4 1HB PHE 4 -0.021 -3.543 -3.532
34 HD1 PHE 4 1HD PHE 4 -1.932 -4.680 -1.024
35 HD2 PHE 4 2HD PHE 4 1.863 -5.470 -2.775
36 HE1 PHE 4 1HE PHE 4 -2.043 -7.004 -0.209
37 HE2 PHE 4 2HE PHE 4 1.763 -7.791 -1.964
38 HZ PHE 4 HZ PHE 4 -0.193 -8.561 -0.681
39 H ARG 5 H ARG 5 1.762 -1.492 -4.155
40 HA ARG 5 HA ARG 5 1.694 1.116 -2.999
41 1HB ARG 5 2HB ARG 5 1.703 0.333 -5.912
42 2HB ARG 5 1HB ARG 5 2.140 1.903 -5.238
43 1HG ARG 5 2HG ARG 5 4.053 0.983 -4.151
44 2HG ARG 5 1HG ARG 5 3.576 -0.663 -4.583
45 1HD ARG 5 2HD ARG 5 4.268 -0.432 -6.745
46 2HD ARG 5 1HD ARG 5 3.880 1.286 -6.800
47 HE ARG 5 HE ARG 5 5.987 1.316 -5.189
48 1HH1 ARG 5 1HH1 ARG 5 5.477 -0.383 -8.200
49 2HH1 ARG 5 2HH1 ARG 5 7.156 -0.392 -8.623
50 1HH2 ARG 5 1HH2 ARG 5 8.197 1.312 -5.753
51 2HH2 ARG 5 2HH2 ARG 5 8.698 0.568 -7.235
52 H VAL 6 H VAL 6 -0.493 0.282 -2.161
53 HA VAL 6 HA VAL 6 -2.769 0.581 -3.852
54 HB VAL 6 HB VAL 6 -3.128 -0.870 -2.064
55 1HG1 VAL 6 1HG1 VAL 6 -2.729 0.313 0.372
56 2HG1 VAL 6 2HG1 VAL 6 -1.391 0.952 -0.576
57 3HG1 VAL 6 3HG1 VAL 6 -1.605 -0.792 -0.422
58 1HG2 VAL 6 1HG2 VAL 6 -4.841 1.094 -2.349
59 2HG2 VAL 6 2HG2 VAL 6 -4.307 1.514 -0.723
60 3HG2 VAL 6 3HG2 VAL 6 -5.014 -0.069 -1.037
61 H CYS 7 H CYS 7 -0.626 2.757 -2.533
62 HA CYS 7 HA CYS 7 -0.669 4.968 -1.966
63 1HB CYS 7 2HB CYS 7 -2.622 5.157 -4.250
64 2HB CYS 7 1HB CYS 7 -1.441 6.355 -3.730
65 H TYR 8 H TYR 8 -1.976 3.928 -0.113
66 HA TYR 8 HA TYR 8 -4.557 5.314 0.148
67 1HB TYR 8 2HB TYR 8 -5.321 3.490 1.239
68 2HB TYR 8 1HB TYR 8 -3.869 2.669 0.690
69 HD1 TYR 8 1HD TYR 8 -1.774 3.792 2.410
70 HD2 TYR 8 2HD TYR 8 -5.778 2.707 3.367
71 HE1 TYR 8 1HE TYR 8 -1.110 3.441 4.755
72 HE2 TYR 8 2HE TYR 8 -5.124 2.345 5.709
73 HH TYR 8 HH TYR 8 -2.210 3.425 6.998
74 H ARG 9 H ARG 9 -4.914 5.912 2.604
75 HA ARG 9 HA ARG 9 -4.360 7.553 4.096
76 1HB ARG 9 2HB ARG 9 -3.438 5.172 4.770
77 2HB ARG 9 1HB ARG 9 -1.879 5.966 4.604
78 1HG ARG 9 2HG ARG 9 -4.076 7.096 6.308
79 2HG ARG 9 1HG ARG 9 -2.910 5.913 6.917
80 1HD ARG 9 2HD ARG 9 -1.134 7.483 5.982
81 2HD ARG 9 1HD ARG 9 -2.424 8.683 5.902
82 HE ARG 9 HE ARG 9 -1.060 7.764 8.253
83 1HH1 ARG 9 1HH1 ARG 9 -4.052 9.118 7.063
84 2HH1 ARG 9 2HH1 ARG 9 -4.483 9.818 8.588
85 1HH2 ARG 9 1HH2 ARG 9 -1.628 8.683 10.253
86 2HH2 ARG 9 2HH2 ARG 9 -3.108 9.571 10.398
87 H GLY 10 H GLY 10 -3.480 8.178 1.473
88 1HA GLY 10 2HA GLY 10 -2.226 9.763 0.400
89 2HA GLY 10 1HA GLY 10 -1.774 10.349 1.990
90 H ILE 11 H ILE 11 -1.041 7.271 0.286
91 HA ILE 11 HA ILE 11 1.578 7.888 -0.401
92 HB ILE 11 HB ILE 11 2.337 8.171 1.752
93 1HG1 ILE 11 2HG1 ILE 11 3.232 5.901 0.461
94 2HG1 ILE 11 1HG1 ILE 11 3.994 6.649 1.857
95 1HG2 ILE 11 1HG2 ILE 11 0.357 6.073 2.548
96 2HG2 ILE 11 2HG2 ILE 11 0.474 7.754 3.073
97 3HG2 ILE 11 3HG2 ILE 11 1.654 6.570 3.635
98 1HD1 ILE 11 1HD1 ILE 11 2.630 5.135 3.307
99 2HD1 ILE 11 2HD1 ILE 11 3.803 4.313 2.283
100 3HD1 ILE 11 3HD1 ILE 11 2.095 4.319 1.840
101 H CYS 12 H CYS 12 2.213 6.411 -1.830
102 HA CYS 12 HA CYS 12 0.735 3.985 -2.204
103 1HB CYS 12 2HB CYS 12 3.289 4.915 -3.524
104 2HB CYS 12 1HB CYS 12 2.310 3.549 -4.046
105 H TYR 13 H TYR 13 1.151 3.377 0.034
106 HA TYR 13 HA TYR 13 3.434 2.704 1.254
107 1HB TYR 13 2HB TYR 13 1.091 2.387 2.097
108 2HB TYR 13 1HB TYR 13 1.055 0.863 1.208
109 HD1 TYR 13 1HD TYR 13 1.993 -1.049 2.072
110 HD2 TYR 13 2HD TYR 13 2.866 2.701 3.848
111 HE1 TYR 13 1HE TYR 13 3.161 -2.201 3.930
112 HE2 TYR 13 2HE TYR 13 4.018 1.593 5.700
113 HH TYR 13 HH TYR 13 5.257 -0.979 5.819
114 H ARG 14 H ARG 14 4.845 0.991 1.397
115 HA ARG 14 HA ARG 14 4.686 -1.356 -0.189
116 1HB ARG 14 2HB ARG 14 5.901 1.025 -1.372
117 2HB ARG 14 1HB ARG 14 6.989 -0.355 -1.357
118 1HG ARG 14 2HG ARG 14 4.190 -0.587 -2.405
119 2HG ARG 14 1HG ARG 14 5.514 -0.004 -3.411
120 1HD ARG 14 2HD ARG 14 6.697 -2.041 -3.211
121 2HD ARG 14 1HD ARG 14 5.672 -2.591 -1.891
122 HE ARG 14 HE ARG 14 4.009 -3.153 -3.430
123 1HH1 ARG 14 1HH1 ARG 14 6.781 -1.729 -5.016
124 2HH1 ARG 14 2HH1 ARG 14 6.310 -2.276 -6.588
125 1HH2 ARG 14 1HH2 ARG 14 3.392 -3.855 -5.498
126 2HH2 ARG 14 2HH2 ARG 14 4.388 -3.478 -6.864
127 H ARG 15 H ARG 15 5.159 -2.040 2.046
128 HA ARG 15 HA ARG 15 7.700 -2.980 2.471
129 1HB ARG 15 2HB ARG 15 7.374 -0.189 3.441
130 2HB ARG 15 1HB ARG 15 8.183 -1.310 4.526
131 1HG ARG 15 2HG ARG 15 9.199 -1.508 1.824
132 2HG ARG 15 1HG ARG 15 9.334 0.129 2.465
133 1HD ARG 15 2HD ARG 15 11.109 -0.492 3.638
134 2HD ARG 15 1HD ARG 15 10.123 -1.668 4.509
135 HE ARG 15 HE ARG 15 11.050 -3.332 3.237
136 1HH1 ARG 15 1HH1 ARG 15 11.699 -0.256 1.725
137 2HH1 ARG 15 2HH1 ARG 15 12.770 -0.921 0.539
138 1HH2 ARG 15 1HH2 ARG 15 12.449 -4.215 1.669
139 2HH2 ARG 15 2HH2 ARG 15 13.195 -3.170 0.506
140 H CYS 16 H CYS 16 5.915 -4.530 3.001
141 HA CYS 16 HA CYS 16 4.898 -4.200 5.741
142 1HB CYS 16 2HB CYS 16 3.858 -5.463 3.307
143 2HB CYS 16 1HB CYS 16 3.661 -6.442 4.755
144 H ARG 17 H ARG 17 4.655 -6.335 6.957
145 HA ARG 17 HA ARG 17 6.968 -8.092 6.510
146 1HB ARG 17 2HB ARG 17 7.197 -8.153 9.054
147 2HB ARG 17 1HB ARG 17 7.761 -6.703 8.236
148 1HG ARG 17 2HG ARG 17 4.962 -6.712 9.198
149 2HG ARG 17 1HG ARG 17 6.242 -6.623 10.410
150 1HD ARG 17 2HD ARG 17 7.119 -4.802 8.614
151 2HD ARG 17 1HD ARG 17 5.373 -4.639 8.418
152 HE ARG 17 HE ARG 17 6.948 -3.817 10.670
153 1HH1 ARG 17 1HH1 ARG 17 3.776 -4.852 9.647
154 2HH1 ARG 17 2HH1 ARG 17 2.957 -4.043 10.940
155 1HH2 ARG 17 1HH2 ARG 17 5.877 -2.742 12.362
156 2HH2 ARG 17 2HH2 ARG 17 4.152 -2.838 12.482
Start of MODEL 25
1 1H LYS 1 1HT LYS 1 3.150 1.236 4.247
2 2H LYS 1 2HT LYS 1 1.450 1.097 4.051
3 3H LYS 1 3HT LYS 1 2.462 -0.260 3.774
4 HA LYS 1 HA LYS 1 3.058 -0.366 6.031
5 1HB LYS 1 2HB LYS 1 1.527 2.215 6.119
6 2HB LYS 1 1HB LYS 1 1.715 1.242 7.569
7 1HG LYS 1 2HG LYS 1 4.151 1.365 7.326
8 2HG LYS 1 1HG LYS 1 3.945 2.378 5.896
9 1HD LYS 1 2HD LYS 1 2.488 3.819 7.562
10 2HD LYS 1 1HD LYS 1 3.499 3.020 8.766
11 1HE LYS 1 2HE LYS 1 4.468 4.637 6.412
12 2HE LYS 1 1HE LYS 1 4.462 5.156 8.097
13 1HZ LYS 1 1HZ LYS 1 6.281 3.950 8.562
14 2HZ LYS 1 2HZ LYS 1 6.555 4.023 6.896
15 3HZ LYS 1 3HZ LYS 1 5.828 2.654 7.574
16 H TRP 2 H TRP 2 -0.206 0.744 5.046
17 HA TRP 2 HA TRP 2 -1.644 -0.955 6.728
18 1HB TRP 2 2HB TRP 2 -2.350 0.216 4.039
19 2HB TRP 2 1HB TRP 2 -3.498 -0.679 5.030
20 HD1 TRP 2 HD TRP 2 -2.020 2.727 4.578
21 HE1 TRP 2 1HE TRP 2 -2.945 4.329 6.368
22 HE3 TRP 2 3HE TRP 2 -4.275 -0.691 7.641
23 HZ2 TRP 2 2HZ TRP 2 -4.432 4.166 8.762
24 HZ3 TRP 2 3HZ TRP 2 -5.426 0.114 9.661
25 HH2 TRP 2 HH TRP 2 -5.502 2.492 10.208
26 H CYS 3 H CYS 3 0.224 -1.712 3.972
27 HA CYS 3 HA CYS 3 0.696 -3.665 2.915
28 1HB CYS 3 2HB CYS 3 -0.524 -4.564 5.465
29 2HB CYS 3 1HB CYS 3 -0.434 -5.759 4.176
30 H PHE 4 H PHE 4 -0.306 -3.568 0.994
31 HA PHE 4 HA PHE 4 -2.369 -5.237 0.293
32 1HB PHE 4 2HB PHE 4 -3.892 -3.938 1.645
33 2HB PHE 4 1HB PHE 4 -3.364 -2.443 0.882
34 HD1 PHE 4 1HD PHE 4 -4.170 -5.669 -0.754
35 HD2 PHE 4 2HD PHE 4 -5.340 -1.638 -0.058
36 HE1 PHE 4 1HE PHE 4 -5.959 -5.906 -2.425
37 HE2 PHE 4 2HE PHE 4 -7.133 -1.866 -1.729
38 HZ PHE 4 HZ PHE 4 -7.444 -4.002 -2.914
39 H ARG 5 H ARG 5 -0.397 -2.502 -0.348
40 HA ARG 5 HA ARG 5 0.443 -1.619 -2.271
41 1HB ARG 5 2HB ARG 5 -0.709 -4.136 -3.492
42 2HB ARG 5 1HB ARG 5 0.362 -3.019 -4.326
43 1HG ARG 5 2HG ARG 5 2.188 -3.583 -2.988
44 2HG ARG 5 1HG ARG 5 1.167 -4.332 -1.756
45 1HD ARG 5 2HD ARG 5 2.444 -5.924 -3.238
46 2HD ARG 5 1HD ARG 5 0.704 -6.195 -3.140
47 HE ARG 5 HE ARG 5 0.562 -5.765 -5.375
48 1HH1 ARG 5 1HH1 ARG 5 3.572 -4.454 -4.191
49 2HH1 ARG 5 2HH1 ARG 5 4.148 -4.024 -5.767
50 1HH2 ARG 5 1HH2 ARG 5 1.318 -5.200 -7.448
51 2HH2 ARG 5 2HH2 ARG 5 2.869 -4.446 -7.616
52 H VAL 6 H VAL 6 -1.296 -0.049 -1.807
53 HA VAL 6 HA VAL 6 -3.273 0.006 -3.990
54 HB VAL 6 HB VAL 6 -4.565 -0.358 -2.075
55 1HG1 VAL 6 1HG1 VAL 6 -4.260 0.710 0.049
56 2HG1 VAL 6 2HG1 VAL 6 -3.009 1.765 -0.607
57 3HG1 VAL 6 3HG1 VAL 6 -2.720 0.033 -0.468
58 1HG2 VAL 6 1HG2 VAL 6 -5.357 1.543 -3.445
59 2HG2 VAL 6 2HG2 VAL 6 -4.515 2.646 -2.355
60 3HG2 VAL 6 3HG2 VAL 6 -5.849 1.660 -1.757
61 H CYS 7 H CYS 7 -0.860 1.741 -2.190
62 HA CYS 7 HA CYS 7 0.192 3.719 -2.583
63 1HB CYS 7 2HB CYS 7 0.159 3.018 -4.952
64 2HB CYS 7 1HB CYS 7 -1.422 3.765 -5.145
65 H TYR 8 H TYR 8 -1.214 4.334 -0.708
66 HA TYR 8 HA TYR 8 -2.241 6.893 -1.046
67 1HB TYR 8 2HB TYR 8 -4.555 6.727 -1.072
68 2HB TYR 8 1HB TYR 8 -4.079 5.427 -2.151
69 HD1 TYR 8 1HD TYR 8 -6.707 5.860 -0.550
70 HD2 TYR 8 2HD TYR 8 -3.234 3.505 0.135
71 HE1 TYR 8 1HE TYR 8 -8.050 4.278 0.768
72 HE2 TYR 8 2HE TYR 8 -4.569 1.917 1.457
73 HH TYR 8 HH TYR 8 -7.691 1.590 1.336
74 H ARG 9 H ARG 9 -4.244 6.822 1.056
75 HA ARG 9 HA ARG 9 -4.362 6.989 3.318
76 1HB ARG 9 2HB ARG 9 -2.745 4.493 2.974
77 2HB ARG 9 1HB ARG 9 -2.859 5.200 4.577
78 1HG ARG 9 2HG ARG 9 -5.050 4.089 2.872
79 2HG ARG 9 1HG ARG 9 -4.559 3.595 4.485
80 1HD ARG 9 2HD ARG 9 -6.408 4.796 5.032
81 2HD ARG 9 1HD ARG 9 -5.229 6.109 5.028
82 HE ARG 9 HE ARG 9 -6.214 5.944 2.453
83 1HH1 ARG 9 1HH1 ARG 9 -7.505 6.567 5.636
84 2HH1 ARG 9 2HH1 ARG 9 -8.788 7.573 5.054
85 1HH2 ARG 9 1HH2 ARG 9 -7.899 7.267 1.687
86 2HH2 ARG 9 2HH2 ARG 9 -9.013 7.971 2.813
87 H GLY 10 H GLY 10 -2.805 8.818 2.167
88 1HA GLY 10 2HA GLY 10 -1.496 10.438 3.432
89 2HA GLY 10 1HA GLY 10 -0.564 9.089 4.069
90 H ILE 11 H ILE 11 -0.320 7.698 1.572
91 HA ILE 11 HA ILE 11 0.770 9.294 -0.472
92 HB ILE 11 HB ILE 11 3.205 8.341 -0.008
93 1HG1 ILE 11 2HG1 ILE 11 3.822 8.444 2.335
94 2HG1 ILE 11 1HG1 ILE 11 2.178 8.879 2.788
95 1HG2 ILE 11 1HG2 ILE 11 2.687 10.769 1.576
96 2HG2 ILE 11 2HG2 ILE 11 2.102 10.790 -0.087
97 3HG2 ILE 11 3HG2 ILE 11 3.809 10.495 0.242
98 1HD1 ILE 11 1HD1 ILE 11 2.638 6.322 1.341
99 2HD1 ILE 11 2HD1 ILE 11 1.397 6.747 2.520
100 3HD1 ILE 11 3HD1 ILE 11 3.049 6.430 3.053
101 H CYS 12 H CYS 12 2.506 7.783 -1.746
102 HA CYS 12 HA CYS 12 0.999 5.512 -2.542
103 1HB CYS 12 2HB CYS 12 2.835 7.011 -3.798
104 2HB CYS 12 1HB CYS 12 3.873 5.687 -3.281
105 H TYR 13 H TYR 13 0.749 4.155 -0.775
106 HA TYR 13 HA TYR 13 2.939 3.276 0.803
107 1HB TYR 13 2HB TYR 13 0.051 2.712 0.640
108 2HB TYR 13 1HB TYR 13 1.038 1.392 1.261
109 HD1 TYR 13 1HD TYR 13 3.130 2.853 2.722
110 HD2 TYR 13 2HD TYR 13 -1.061 3.554 2.509
111 HE1 TYR 13 1HE TYR 13 3.212 3.938 4.920
112 HE2 TYR 13 2HE TYR 13 -0.991 4.648 4.715
113 HH TYR 13 HH TYR 13 0.717 4.414 6.833
114 H ARG 14 H ARG 14 4.291 1.652 0.573
115 HA ARG 14 HA ARG 14 3.702 -0.614 -1.125
116 1HB ARG 14 2HB ARG 14 5.828 -0.334 -2.423
117 2HB ARG 14 1HB ARG 14 4.591 0.858 -2.799
118 1HG ARG 14 2HG ARG 14 5.938 2.529 -2.252
119 2HG ARG 14 1HG ARG 14 6.296 1.806 -0.683
120 1HD ARG 14 2HD ARG 14 7.655 1.206 -3.310
121 2HD ARG 14 1HD ARG 14 8.341 2.079 -1.941
122 HE ARG 14 HE ARG 14 7.486 -0.558 -1.241
123 1HH1 ARG 14 1HH1 ARG 14 10.082 1.267 -2.695
124 2HH1 ARG 14 2HH1 ARG 14 11.292 0.086 -2.316
125 1HH2 ARG 14 1HH2 ARG 14 9.075 -2.111 -0.740
126 2HH2 ARG 14 2HH2 ARG 14 10.720 -1.831 -1.206
127 H ARG 15 H ARG 15 4.276 0.009 1.705
128 HA ARG 15 HA ARG 15 6.853 -1.294 2.137
129 1HB ARG 15 2HB ARG 15 5.092 0.482 3.707
130 2HB ARG 15 1HB ARG 15 5.888 -0.782 4.633
131 1HG ARG 15 2HG ARG 15 7.274 1.224 2.868
132 2HG ARG 15 1HG ARG 15 7.168 1.297 4.627
133 1HD ARG 15 2HD ARG 15 8.801 -0.213 4.900
134 2HD ARG 15 1HD ARG 15 8.178 -1.252 3.619
135 HE ARG 15 HE ARG 15 9.779 -0.385 2.262
136 1HH1 ARG 15 1HH1 ARG 15 9.095 1.967 4.750
137 2HH1 ARG 15 2HH1 ARG 15 10.298 3.084 4.199
138 1HH2 ARG 15 1HH2 ARG 15 11.358 1.088 1.534
139 2HH2 ARG 15 2HH2 ARG 15 11.579 2.586 2.371
140 H CYS 16 H CYS 16 5.625 -3.227 1.114
141 HA CYS 16 HA CYS 16 5.128 -5.093 3.211
142 1HB CYS 16 2HB CYS 16 2.909 -3.781 2.856
143 2HB CYS 16 1HB CYS 16 2.774 -4.734 1.382
144 H ARG 17 H ARG 17 4.649 -7.289 2.349
145 HA ARG 17 HA ARG 17 6.024 -7.641 -0.215
146 1HB ARG 17 2HB ARG 17 5.463 -9.559 2.050
147 2HB ARG 17 1HB ARG 17 6.202 -10.039 0.528
148 1HG ARG 17 2HG ARG 17 7.316 -8.091 2.533
149 2HG ARG 17 1HG ARG 17 7.906 -9.719 2.195
150 1HD ARG 17 2HD ARG 17 9.315 -8.747 0.762
151 2HD ARG 17 1HD ARG 17 7.914 -8.531 -0.286
152 HE ARG 17 HE ARG 17 7.958 -6.285 0.168
153 1HH1 ARG 17 1HH1 ARG 17 9.996 -7.950 2.458
154 2HH1 ARG 17 2HH1 ARG 17 10.652 -6.493 3.124
155 1HH2 ARG 17 1HH2 ARG 17 8.820 -4.366 1.040
156 2HH2 ARG 17 2HH2 ARG 17 9.985 -4.457 2.319
Start of MODEL 26
1 1H LYS 1 1HT LYS 1 -4.559 1.171 0.324
2 2H LYS 1 2HT LYS 1 -5.731 1.660 -0.829
3 3H LYS 1 3HT LYS 1 -4.059 1.792 -1.193
4 HA LYS 1 HA LYS 1 -3.782 -0.427 -1.446
5 1HB LYS 1 2HB LYS 1 -5.026 -2.072 -0.385
6 2HB LYS 1 1HB LYS 1 -5.132 -0.752 0.767
7 1HG LYS 1 2HG LYS 1 -7.236 -1.611 -1.207
8 2HG LYS 1 1HG LYS 1 -7.280 -1.787 0.548
9 1HD LYS 1 2HD LYS 1 -7.096 0.755 0.636
10 2HD LYS 1 1HD LYS 1 -7.469 0.727 -1.089
11 1HE LYS 1 2HE LYS 1 -9.210 -0.722 0.869
12 2HE LYS 1 1HE LYS 1 -9.394 1.015 0.628
13 1HZ LYS 1 1HZ LYS 1 -10.649 -0.837 -0.827
14 2HZ LYS 1 2HZ LYS 1 -9.290 -0.567 -1.797
15 3HZ LYS 1 3HZ LYS 1 -10.305 0.723 -1.387
16 H TRP 2 H TRP 2 -5.472 1.810 -2.774
17 HA TRP 2 HA TRP 2 -7.494 0.523 -4.263
18 1HB TRP 2 2HB TRP 2 -7.430 2.499 -5.730
19 2HB TRP 2 1HB TRP 2 -7.463 2.934 -4.025
20 HD1 TRP 2 HD TRP 2 -5.247 4.036 -2.996
21 HE1 TRP 2 1HE TRP 2 -3.273 5.248 -4.112
22 HE3 TRP 2 3HE TRP 2 -5.975 2.505 -7.819
23 HZ2 TRP 2 2HZ TRP 2 -2.162 5.515 -6.695
24 HZ3 TRP 2 3HZ TRP 2 -4.411 3.283 -9.552
25 HH2 TRP 2 HH TRP 2 -2.545 4.757 -9.000
26 H CYS 3 H CYS 3 -4.075 0.463 -4.652
27 HA CYS 3 HA CYS 3 -4.457 -0.892 -7.244
28 1HB CYS 3 2HB CYS 3 -3.354 1.449 -7.311
29 2HB CYS 3 1HB CYS 3 -1.943 0.642 -6.637
30 H PHE 4 H PHE 4 -3.154 -1.065 -4.093
31 HA PHE 4 HA PHE 4 -2.247 -3.734 -4.544
32 1HB PHE 4 2HB PHE 4 -0.252 -2.488 -5.267
33 2HB PHE 4 1HB PHE 4 -0.216 -1.658 -3.719
34 HD1 PHE 4 1HD PHE 4 -0.930 -5.247 -4.268
35 HD2 PHE 4 2HD PHE 4 1.866 -2.343 -2.905
36 HE1 PHE 4 1HE PHE 4 0.473 -7.040 -3.334
37 HE2 PHE 4 2HE PHE 4 3.273 -4.131 -1.969
38 HZ PHE 4 HZ PHE 4 2.577 -6.484 -2.184
39 H ARG 5 H ARG 5 -1.255 -1.335 -2.156
40 HA ARG 5 HA ARG 5 -3.149 -1.925 -0.207
41 1HB ARG 5 2HB ARG 5 -1.358 -3.262 1.269
42 2HB ARG 5 1HB ARG 5 -2.550 -4.057 0.252
43 1HG ARG 5 2HG ARG 5 -1.003 -4.638 -1.350
44 2HG ARG 5 1HG ARG 5 0.116 -3.355 -0.884
45 1HD ARG 5 2HD ARG 5 -0.390 -5.265 1.260
46 2HD ARG 5 1HD ARG 5 0.308 -6.011 -0.177
47 HE ARG 5 HE ARG 5 1.655 -3.613 0.670
48 1HH1 ARG 5 1HH1 ARG 5 1.455 -7.078 1.038
49 2HH1 ARG 5 2HH1 ARG 5 3.085 -7.237 1.598
50 1HH2 ARG 5 1HH2 ARG 5 3.800 -3.822 1.404
51 2HH2 ARG 5 2HH2 ARG 5 4.417 -5.391 1.805
52 H VAL 6 H VAL 6 -1.315 0.267 -1.201
53 HA VAL 6 HA VAL 6 -1.038 1.601 1.231
54 HB VAL 6 HB VAL 6 0.743 0.040 1.733
55 1HG1 VAL 6 1HG1 VAL 6 2.510 1.069 -0.408
56 2HG1 VAL 6 2HG1 VAL 6 1.287 -0.121 -0.852
57 3HG1 VAL 6 3HG1 VAL 6 2.484 -0.505 0.384
58 1HG2 VAL 6 1HG2 VAL 6 1.589 1.761 2.849
59 2HG2 VAL 6 2HG2 VAL 6 1.089 2.894 1.596
60 3HG2 VAL 6 3HG2 VAL 6 2.641 2.069 1.470
61 H CYS 7 H CYS 7 -2.126 2.667 -0.905
62 HA CYS 7 HA CYS 7 -0.303 4.811 -1.527
63 1HB CYS 7 2HB CYS 7 0.090 3.381 -3.455
64 2HB CYS 7 1HB CYS 7 -1.640 3.309 -3.778
65 H TYR 8 H TYR 8 -1.284 6.718 -2.350
66 HA TYR 8 HA TYR 8 -2.885 8.326 -2.379
67 1HB TYR 8 2HB TYR 8 -4.296 7.039 -3.817
68 2HB TYR 8 1HB TYR 8 -4.704 5.915 -2.528
69 HD1 TYR 8 1HD TYR 8 -5.395 9.199 -3.982
70 HD2 TYR 8 2HD TYR 8 -6.345 6.503 -0.830
71 HE1 TYR 8 1HE TYR 8 -7.404 10.521 -3.462
72 HE2 TYR 8 2HE TYR 8 -8.356 7.815 -0.303
73 HH TYR 8 HH TYR 8 -9.247 10.022 -0.607
74 H ARG 9 H ARG 9 -4.381 5.752 -0.480
75 HA ARG 9 HA ARG 9 -5.329 7.283 1.608
76 1HB ARG 9 2HB ARG 9 -4.915 4.465 1.015
77 2HB ARG 9 1HB ARG 9 -4.687 4.805 2.732
78 1HG ARG 9 2HG ARG 9 -7.079 5.942 1.386
79 2HG ARG 9 1HG ARG 9 -7.050 4.209 1.724
80 1HD ARG 9 2HD ARG 9 -6.172 5.849 3.973
81 2HD ARG 9 1HD ARG 9 -7.830 6.178 3.472
82 HE ARG 9 HE ARG 9 -6.933 3.917 4.893
83 1HH1 ARG 9 1HH1 ARG 9 -9.100 4.795 2.303
84 2HH1 ARG 9 2HH1 ARG 9 -10.171 3.464 2.579
85 1HH2 ARG 9 1HH2 ARG 9 -8.340 2.163 5.257
86 2HH2 ARG 9 2HH2 ARG 9 -9.740 1.968 4.256
87 H GLY 10 H GLY 10 -3.322 8.734 1.643
88 1HA GLY 10 2HA GLY 10 -1.668 9.639 2.934
89 2HA GLY 10 1HA GLY 10 -2.017 8.396 4.120
90 H ILE 11 H ILE 11 -0.972 7.620 0.833
91 HA ILE 11 HA ILE 11 1.805 7.524 1.264
92 HB ILE 11 HB ILE 11 1.817 4.851 1.377
93 1HG1 ILE 11 2HG1 ILE 11 0.209 4.004 2.991
94 2HG1 ILE 11 1HG1 ILE 11 -0.537 5.588 3.131
95 1HG2 ILE 11 1HG2 ILE 11 2.956 5.186 3.256
96 2HG2 ILE 11 2HG2 ILE 11 1.578 5.930 4.069
97 3HG2 ILE 11 3HG2 ILE 11 2.604 6.896 3.008
98 1HD1 ILE 11 1HD1 ILE 11 -1.845 5.205 1.379
99 2HD1 ILE 11 2HD1 ILE 11 -1.297 3.531 1.442
100 3HD1 ILE 11 3HD1 ILE 11 -0.485 4.683 0.391
101 H CYS 12 H CYS 12 2.667 5.318 -0.132
102 HA CYS 12 HA CYS 12 1.187 4.464 -2.292
103 1HB CYS 12 2HB CYS 12 1.417 7.020 -2.840
104 2HB CYS 12 1HB CYS 12 3.021 6.521 -3.400
105 H TYR 13 H TYR 13 2.097 3.139 -3.609
106 HA TYR 13 HA TYR 13 4.913 2.435 -3.121
107 1HB TYR 13 2HB TYR 13 4.048 0.267 -4.385
108 2HB TYR 13 1HB TYR 13 3.725 0.468 -2.664
109 HD1 TYR 13 1HD TYR 13 2.262 -0.099 -5.865
110 HD2 TYR 13 2HD TYR 13 1.495 1.550 -2.033
111 HE1 TYR 13 1HE TYR 13 -0.156 -0.238 -6.295
112 HE2 TYR 13 2HE TYR 13 -0.918 1.428 -2.438
113 HH TYR 13 HH TYR 13 -2.362 1.403 -4.855
114 H ARG 14 H ARG 14 5.447 1.067 -5.450
115 HA ARG 14 HA ARG 14 4.577 2.772 -7.635
116 1HB ARG 14 2HB ARG 14 7.434 2.551 -6.719
117 2HB ARG 14 1HB ARG 14 7.011 3.044 -8.353
118 1HG ARG 14 2HG ARG 14 5.790 4.474 -6.011
119 2HG ARG 14 1HG ARG 14 7.440 4.847 -6.526
120 1HD ARG 14 2HD ARG 14 6.261 6.358 -7.778
121 2HD ARG 14 1HD ARG 14 6.332 5.000 -8.899
122 HE ARG 14 HE ARG 14 4.005 4.975 -7.217
123 1HH1 ARG 14 1HH1 ARG 14 5.368 6.223 -10.179
124 2HH1 ARG 14 2HH1 ARG 14 3.827 6.467 -10.931
125 1HH2 ARG 14 1HH2 ARG 14 1.979 5.296 -8.204
126 2HH2 ARG 14 2HH2 ARG 14 1.903 5.941 -9.810
127 H ARG 15 H ARG 15 3.567 0.530 -7.703
128 HA ARG 15 HA ARG 15 5.178 -1.138 -9.498
129 1HB ARG 15 2HB ARG 15 4.944 -2.116 -7.173
130 2HB ARG 15 1HB ARG 15 3.222 -2.256 -7.495
131 1HG ARG 15 2HG ARG 15 5.206 -3.469 -9.372
132 2HG ARG 15 1HG ARG 15 4.767 -4.294 -7.876
133 1HD ARG 15 2HD ARG 15 2.944 -3.488 -10.134
134 2HD ARG 15 1HD ARG 15 3.359 -5.122 -9.624
135 HE ARG 15 HE ARG 15 1.430 -3.346 -8.405
136 1HH1 ARG 15 1HH1 ARG 15 3.372 -6.224 -8.027
137 2HH1 ARG 15 2HH1 ARG 15 2.359 -6.893 -6.794
138 1HH2 ARG 15 1HH2 ARG 15 0.101 -4.225 -6.781
139 2HH2 ARG 15 2HH2 ARG 15 0.505 -5.759 -6.085
140 H CYS 16 H CYS 16 1.882 -1.371 -8.296
141 HA CYS 16 HA CYS 16 -0.114 -1.620 -9.358
142 1HB CYS 16 2HB CYS 16 1.186 0.701 -10.697
143 2HB CYS 16 1HB CYS 16 -0.322 0.086 -11.368
144 H ARG 17 H ARG 17 1.471 -0.740 -12.345
145 HA ARG 17 HA ARG 17 0.358 -2.774 -13.866
146 1HB ARG 17 2HB ARG 17 1.339 -0.766 -14.851
147 2HB ARG 17 1HB ARG 17 2.940 -1.272 -14.330
148 1HG ARG 17 2HG ARG 17 2.657 -3.306 -15.775
149 2HG ARG 17 1HG ARG 17 1.194 -2.552 -16.415
150 1HD ARG 17 2HD ARG 17 3.202 -2.175 -17.823
151 2HD ARG 17 1HD ARG 17 2.452 -0.685 -17.249
152 HE ARG 17 HE ARG 17 4.349 -0.227 -16.046
153 1HH1 ARG 17 1HH1 ARG 17 4.433 -3.558 -17.082
154 2HH1 ARG 17 2HH1 ARG 17 6.071 -3.806 -16.574
155 1HH2 ARG 17 1HH2 ARG 17 6.501 -0.551 -15.374
156 2HH2 ARG 17 2HH2 ARG 17 7.244 -2.099 -15.604
Start of MODEL 27
1 1H LYS 1 1HT LYS 1 -6.997 1.338 1.306
2 2H LYS 1 2HT LYS 1 -7.238 0.871 2.941
3 3H LYS 1 3HT LYS 1 -8.526 0.753 1.813
4 HA LYS 1 HA LYS 1 -6.008 -0.702 1.468
5 1HB LYS 1 2HB LYS 1 -7.631 -0.995 3.659
6 2HB LYS 1 1HB LYS 1 -8.325 -2.164 2.545
7 1HG LYS 1 2HG LYS 1 -5.406 -2.060 3.265
8 2HG LYS 1 1HG LYS 1 -6.592 -3.085 4.077
9 1HD LYS 1 2HD LYS 1 -6.232 -3.176 1.099
10 2HD LYS 1 1HD LYS 1 -5.192 -4.110 2.176
11 1HE LYS 1 2HE LYS 1 -7.563 -4.800 3.189
12 2HE LYS 1 1HE LYS 1 -8.067 -4.444 1.537
13 1HZ LYS 1 1HZ LYS 1 -7.519 -6.718 1.598
14 2HZ LYS 1 2HZ LYS 1 -6.075 -6.445 2.434
15 3HZ LYS 1 3HZ LYS 1 -6.219 -5.965 0.819
16 H TRP 2 H TRP 2 -7.241 0.497 -0.622
17 HA TRP 2 HA TRP 2 -9.260 -1.212 -1.767
18 1HB TRP 2 2HB TRP 2 -7.763 1.203 -2.714
19 2HB TRP 2 1HB TRP 2 -8.717 0.254 -3.847
20 HD1 TRP 2 HD TRP 2 -9.207 2.148 -0.505
21 HE1 TRP 2 1HE TRP 2 -11.608 3.078 -0.461
22 HE3 TRP 2 3HE TRP 2 -10.930 0.150 -4.883
23 HZ2 TRP 2 2HZ TRP 2 -13.927 2.974 -2.071
24 HZ3 TRP 2 3HZ TRP 2 -13.251 0.612 -5.558
25 HH2 TRP 2 HH TRP 2 -14.717 1.993 -4.180
26 H CYS 3 H CYS 3 -6.031 -1.649 -1.373
27 HA CYS 3 HA CYS 3 -5.850 -3.911 -2.977
28 1HB CYS 3 2HB CYS 3 -4.330 -3.184 -4.761
29 2HB CYS 3 1HB CYS 3 -5.892 -2.384 -4.890
30 H PHE 4 H PHE 4 -5.202 -3.747 -0.504
31 HA PHE 4 HA PHE 4 -3.571 -4.283 0.988
32 1HB PHE 4 2HB PHE 4 -2.538 -5.554 -0.893
33 2HB PHE 4 1HB PHE 4 -1.637 -4.109 -1.335
34 HD1 PHE 4 1HD PHE 4 -2.338 -5.651 1.986
35 HD2 PHE 4 2HD PHE 4 0.588 -4.509 -0.888
36 HE1 PHE 4 1HE PHE 4 -0.554 -6.288 3.555
37 HE2 PHE 4 2HE PHE 4 2.377 -5.146 0.678
38 HZ PHE 4 HZ PHE 4 1.807 -6.038 2.901
39 H ARG 5 H ARG 5 -4.391 -1.577 0.458
40 HA ARG 5 HA ARG 5 -3.720 0.626 0.650
41 1HB ARG 5 2HB ARG 5 -2.525 0.943 2.884
42 2HB ARG 5 1HB ARG 5 -4.080 0.125 2.919
43 1HG ARG 5 2HG ARG 5 -3.112 -1.957 3.326
44 2HG ARG 5 1HG ARG 5 -1.517 -1.419 2.792
45 1HD ARG 5 2HD ARG 5 -1.936 -1.693 5.316
46 2HD ARG 5 1HD ARG 5 -1.123 -0.234 4.753
47 HE ARG 5 HE ARG 5 -3.985 0.010 5.018
48 1HH1 ARG 5 1HH1 ARG 5 -0.897 0.346 6.610
49 2HH1 ARG 5 2HH1 ARG 5 -1.487 1.472 7.787
50 1HH2 ARG 5 1HH2 ARG 5 -4.760 1.492 6.564
51 2HH2 ARG 5 2HH2 ARG 5 -3.679 2.122 7.761
52 H VAL 6 H VAL 6 -2.325 0.598 -1.292
53 HA VAL 6 HA VAL 6 0.510 0.765 -0.558
54 HB VAL 6 HB VAL 6 0.494 0.438 -3.313
55 1HG1 VAL 6 1HG1 VAL 6 1.776 -0.613 -1.187
56 2HG1 VAL 6 2HG1 VAL 6 1.933 -1.224 -2.833
57 3HG1 VAL 6 3HG1 VAL 6 0.824 -2.004 -1.706
58 1HG2 VAL 6 1HG2 VAL 6 -0.745 -1.849 -3.381
59 2HG2 VAL 6 2HG2 VAL 6 -1.650 -0.356 -3.628
60 3HG2 VAL 6 3HG2 VAL 6 -1.696 -1.168 -2.065
61 H CYS 7 H CYS 7 -0.965 1.768 -3.643
62 HA CYS 7 HA CYS 7 0.321 4.317 -3.251
63 1HB CYS 7 2HB CYS 7 0.158 2.800 -5.448
64 2HB CYS 7 1HB CYS 7 -1.162 3.930 -5.747
65 H TYR 8 H TYR 8 -0.968 5.315 -1.709
66 HA TYR 8 HA TYR 8 -2.521 7.313 -2.315
67 1HB TYR 8 2HB TYR 8 -4.943 6.516 -2.024
68 2HB TYR 8 1HB TYR 8 -4.170 6.247 -3.577
69 HD1 TYR 8 1HD TYR 8 -3.137 4.048 -0.894
70 HD2 TYR 8 2HD TYR 8 -5.992 4.610 -3.995
71 HE1 TYR 8 1HE TYR 8 -3.747 1.677 -0.761
72 HE2 TYR 8 2HE TYR 8 -6.606 2.236 -3.870
73 HH TYR 8 HH TYR 8 -5.412 0.167 -1.334
74 H ARG 9 H ARG 9 -4.673 5.553 -0.345
75 HA ARG 9 HA ARG 9 -4.764 6.962 1.838
76 1HB ARG 9 2HB ARG 9 -5.822 5.217 2.785
77 2HB ARG 9 1HB ARG 9 -5.554 4.432 1.236
78 1HG ARG 9 2HG ARG 9 -3.504 3.405 2.155
79 2HG ARG 9 1HG ARG 9 -3.876 4.131 3.720
80 1HD ARG 9 2HD ARG 9 -5.337 1.973 2.242
81 2HD ARG 9 1HD ARG 9 -4.726 1.967 3.895
82 HE ARG 9 HE ARG 9 -7.269 2.925 2.998
83 1HH1 ARG 9 1HH1 ARG 9 -4.804 3.319 5.438
84 2HH1 ARG 9 2HH1 ARG 9 -5.898 3.958 6.618
85 1HH2 ARG 9 1HH2 ARG 9 -8.709 3.762 4.548
86 2HH2 ARG 9 2HH2 ARG 9 -8.116 4.208 6.114
87 H GLY 10 H GLY 10 -3.250 8.056 2.889
88 1HA GLY 10 2HA GLY 10 -1.596 8.281 4.522
89 2HA GLY 10 1HA GLY 10 -1.185 6.588 4.306
90 H ILE 11 H ILE 11 -0.324 6.213 1.912
91 HA ILE 11 HA ILE 11 1.343 8.349 0.906
92 HB ILE 11 HB ILE 11 2.853 7.744 2.595
93 1HG1 ILE 11 2HG1 ILE 11 3.658 7.526 0.080
94 2HG1 ILE 11 1HG1 ILE 11 4.739 7.150 1.415
95 1HG2 ILE 11 1HG2 ILE 11 1.973 4.929 2.085
96 2HG2 ILE 11 2HG2 ILE 11 1.934 5.857 3.585
97 3HG2 ILE 11 3HG2 ILE 11 3.473 5.278 2.948
98 1HD1 ILE 11 1HD1 ILE 11 4.858 4.977 0.867
99 2HD1 ILE 11 2HD1 ILE 11 4.317 5.548 -0.713
100 3HD1 ILE 11 3HD1 ILE 11 3.152 4.886 0.430
101 H CYS 12 H CYS 12 2.201 7.854 -1.204
102 HA CYS 12 HA CYS 12 0.717 5.733 -2.459
103 1HB CYS 12 2HB CYS 12 1.461 8.202 -3.374
104 2HB CYS 12 1HB CYS 12 2.587 7.132 -4.210
105 H TYR 13 H TYR 13 1.549 3.767 -2.079
106 HA TYR 13 HA TYR 13 4.409 3.316 -2.379
107 1HB TYR 13 2HB TYR 13 2.713 2.303 -0.581
108 2HB TYR 13 1HB TYR 13 2.521 1.081 -1.835
109 HD1 TYR 13 1HD TYR 13 4.981 2.718 0.387
110 HD2 TYR 13 2HD TYR 13 4.191 -0.545 -2.221
111 HE1 TYR 13 1HE TYR 13 7.043 1.625 1.145
112 HE2 TYR 13 2HE TYR 13 6.247 -1.656 -1.473
113 HH TYR 13 HH TYR 13 7.709 -1.519 0.759
114 H ARG 14 H ARG 14 5.025 3.167 -4.449
115 HA ARG 14 HA ARG 14 3.501 2.498 -6.643
116 1HB ARG 14 2HB ARG 14 6.447 1.910 -6.344
117 2HB ARG 14 1HB ARG 14 5.571 2.183 -7.843
118 1HG ARG 14 2HG ARG 14 5.808 4.384 -7.683
119 2HG ARG 14 1HG ARG 14 5.246 4.399 -6.009
120 1HD ARG 14 2HD ARG 14 8.036 3.631 -6.863
121 2HD ARG 14 1HD ARG 14 7.575 5.245 -6.323
122 HE ARG 14 HE ARG 14 7.990 2.916 -4.685
123 1HH1 ARG 14 1HH1 ARG 14 6.427 6.030 -4.898
124 2HH1 ARG 14 2HH1 ARG 14 6.322 6.235 -3.183
125 1HH2 ARG 14 1HH2 ARG 14 7.853 3.185 -2.427
126 2HH2 ARG 14 2HH2 ARG 14 7.131 4.620 -1.777
127 H ARG 15 H ARG 15 2.186 0.722 -6.373
128 HA ARG 15 HA ARG 15 3.235 -1.771 -7.122
129 1HB ARG 15 2HB ARG 15 3.231 -1.266 -4.291
130 2HB ARG 15 1HB ARG 15 2.131 -2.587 -4.664
131 1HG ARG 15 2HG ARG 15 5.047 -2.414 -5.383
132 2HG ARG 15 1HG ARG 15 4.314 -3.459 -4.166
133 1HD ARG 15 2HD ARG 15 2.970 -4.503 -6.008
134 2HD ARG 15 1HD ARG 15 3.936 -3.577 -7.154
135 HE ARG 15 HE ARG 15 5.694 -5.009 -6.800
136 1HH1 ARG 15 1HH1 ARG 15 3.256 -5.558 -4.363
137 2HH1 ARG 15 2HH1 ARG 15 3.997 -7.006 -3.769
138 1HH2 ARG 15 1HH2 ARG 15 6.671 -6.910 -6.017
139 2HH2 ARG 15 2HH2 ARG 15 5.938 -7.772 -4.708
140 H CYS 16 H CYS 16 0.627 -1.512 -4.798
141 HA CYS 16 HA CYS 16 -1.557 -2.211 -4.993
142 1HB CYS 16 2HB CYS 16 -1.559 0.221 -5.522
143 2HB CYS 16 1HB CYS 16 -1.502 -0.186 -7.230
144 H ARG 17 H ARG 17 -1.562 -1.492 -8.402
145 HA ARG 17 HA ARG 17 -1.949 -4.358 -8.945
146 1HB ARG 17 2HB ARG 17 -3.057 -2.092 -10.596
147 2HB ARG 17 1HB ARG 17 -3.490 -3.793 -10.676
148 1HG ARG 17 2HG ARG 17 -5.065 -3.536 -9.141
149 2HG ARG 17 1HG ARG 17 -3.933 -2.767 -8.027
150 1HD ARG 17 2HD ARG 17 -4.369 -0.625 -8.898
151 2HD ARG 17 1HD ARG 17 -5.158 -1.280 -10.332
152 HE ARG 17 HE ARG 17 -6.627 -2.124 -8.131
153 1HH1 ARG 17 1HH1 ARG 17 -5.779 0.880 -9.688
154 2HH1 ARG 17 2HH1 ARG 17 -7.227 1.691 -9.194
155 1HH2 ARG 17 1HH2 ARG 17 -8.532 -1.062 -7.479
156 2HH2 ARG 17 2HH2 ARG 17 -8.791 0.588 -7.938
Start of MODEL 28
1 1H LYS 1 1HT LYS 1 -4.875 0.069 6.576
2 2H LYS 1 2HT LYS 1 -4.524 -1.529 6.061
3 3H LYS 1 3HT LYS 1 -6.150 -1.052 6.340
4 HA LYS 1 HA LYS 1 -6.193 0.320 4.510
5 1HB LYS 1 2HB LYS 1 -4.030 0.588 3.160
6 2HB LYS 1 1HB LYS 1 -4.147 1.472 4.675
7 1HG LYS 1 2HG LYS 1 -2.940 -1.202 4.866
8 2HG LYS 1 1HG LYS 1 -2.021 -0.011 3.945
9 1HD LYS 1 2HD LYS 1 -2.839 1.385 6.189
10 2HD LYS 1 1HD LYS 1 -2.457 -0.220 6.814
11 1HE LYS 1 2HE LYS 1 -0.337 0.173 5.204
12 2HE LYS 1 1HE LYS 1 -0.691 1.841 5.652
13 1HZ LYS 1 1HZ LYS 1 0.851 0.937 7.212
14 2HZ LYS 1 2HZ LYS 1 -0.124 -0.415 7.494
15 3HZ LYS 1 3HZ LYS 1 -0.634 1.115 8.002
16 H TRP 2 H TRP 2 -6.411 -0.377 2.318
17 HA TRP 2 HA TRP 2 -6.850 -3.138 2.027
18 1HB TRP 2 2HB TRP 2 -7.220 -2.615 -0.377
19 2HB TRP 2 1HB TRP 2 -8.111 -1.554 0.709
20 HD1 TRP 2 HD TRP 2 -4.865 -0.122 0.970
21 HE1 TRP 2 1HE TRP 2 -4.473 1.767 -0.730
22 HE3 TRP 2 3HE TRP 2 -8.714 -1.113 -2.246
23 HZ2 TRP 2 2HZ TRP 2 -5.639 2.714 -3.119
24 HZ3 TRP 2 3HZ TRP 2 -9.006 0.333 -4.215
25 HH2 TRP 2 HH TRP 2 -7.499 2.208 -4.642
26 H CYS 3 H CYS 3 -5.759 -4.740 0.917
27 HA CYS 3 HA CYS 3 -3.996 -5.895 0.058
28 1HB CYS 3 2HB CYS 3 -4.034 -3.851 -1.555
29 2HB CYS 3 1HB CYS 3 -2.614 -3.323 -0.659
30 H PHE 4 H PHE 4 -2.456 -2.914 1.233
31 HA PHE 4 HA PHE 4 -1.570 -3.780 3.684
32 1HB PHE 4 2HB PHE 4 0.695 -4.515 3.375
33 2HB PHE 4 1HB PHE 4 -0.328 -5.522 2.362
34 HD1 PHE 4 1HD PHE 4 2.731 -4.150 2.423
35 HD2 PHE 4 2HD PHE 4 -0.723 -4.142 -0.060
36 HE1 PHE 4 1HE PHE 4 4.134 -3.599 0.479
37 HE2 PHE 4 2HE PHE 4 0.672 -3.590 -2.009
38 HZ PHE 4 HZ PHE 4 3.105 -3.319 -1.742
39 H ARG 5 H ARG 5 -0.875 -1.986 0.800
40 HA ARG 5 HA ARG 5 -0.887 0.524 1.859
41 1HB ARG 5 2HB ARG 5 1.657 0.997 1.852
42 2HB ARG 5 1HB ARG 5 0.952 0.233 3.269
43 1HG ARG 5 2HG ARG 5 1.964 -1.777 2.864
44 2HG ARG 5 1HG ARG 5 2.059 -1.502 1.122
45 1HD ARG 5 2HD ARG 5 4.236 -1.123 1.574
46 2HD ARG 5 1HD ARG 5 3.649 0.484 1.999
47 HE ARG 5 HE ARG 5 4.069 0.031 4.213
48 1HH1 ARG 5 1HH1 ARG 5 4.318 -2.920 2.363
49 2HH1 ARG 5 2HH1 ARG 5 5.013 -3.823 3.667
50 1HH2 ARG 5 1HH2 ARG 5 4.984 -1.158 5.926
51 2HH2 ARG 5 2HH2 ARG 5 5.390 -2.826 5.688
52 H VAL 6 H VAL 6 -1.128 1.807 0.142
53 HA VAL 6 HA VAL 6 0.583 1.606 -2.157
54 HB VAL 6 HB VAL 6 -1.427 1.373 -3.736
55 1HG1 VAL 6 1HG1 VAL 6 -0.827 -0.784 -4.088
56 2HG1 VAL 6 2HG1 VAL 6 -0.995 -1.224 -2.389
57 3HG1 VAL 6 3HG1 VAL 6 0.444 -0.366 -2.938
58 1HG2 VAL 6 1HG2 VAL 6 -3.191 -0.173 -2.729
59 2HG2 VAL 6 2HG2 VAL 6 -3.277 1.536 -2.296
60 3HG2 VAL 6 3HG2 VAL 6 -2.602 0.370 -1.158
61 H CYS 7 H CYS 7 -0.196 3.187 -3.915
62 HA CYS 7 HA CYS 7 -0.141 5.744 -3.066
63 1HB CYS 7 2HB CYS 7 -0.850 4.433 -5.524
64 2HB CYS 7 1HB CYS 7 -1.840 5.871 -5.296
65 H TYR 8 H TYR 8 -1.412 7.267 -2.254
66 HA TYR 8 HA TYR 8 -3.222 8.326 -1.401
67 1HB TYR 8 2HB TYR 8 -4.828 8.276 -2.960
68 2HB TYR 8 1HB TYR 8 -4.322 6.693 -3.515
69 HD1 TYR 8 1HD TYR 8 -5.209 4.665 -2.097
70 HD2 TYR 8 2HD TYR 8 -6.923 8.558 -2.048
71 HE1 TYR 8 1HE TYR 8 -7.324 3.718 -1.278
72 HE2 TYR 8 2HE TYR 8 -9.043 7.620 -1.230
73 HH TYR 8 HH TYR 8 -10.086 4.929 -1.494
74 H ARG 9 H ARG 9 -5.330 7.698 0.001
75 HA ARG 9 HA ARG 9 -5.933 6.960 2.057
76 1HB ARG 9 2HB ARG 9 -5.500 4.612 0.378
77 2HB ARG 9 1HB ARG 9 -5.365 4.253 2.093
78 1HG ARG 9 2HG ARG 9 -7.687 5.857 1.163
79 2HG ARG 9 1HG ARG 9 -7.670 4.122 0.840
80 1HD ARG 9 2HD ARG 9 -7.540 3.601 3.134
81 2HD ARG 9 1HD ARG 9 -7.173 5.271 3.568
82 HE ARG 9 HE ARG 9 -9.750 4.134 3.246
83 1HH1 ARG 9 1HH1 ARG 9 -7.954 7.077 2.706
84 2HH1 ARG 9 2HH1 ARG 9 -9.353 8.094 2.792
85 1HH2 ARG 9 1HH2 ARG 9 -11.590 5.469 3.357
86 2HH2 ARG 9 2HH2 ARG 9 -11.416 7.182 3.163
87 H GLY 10 H GLY 10 -3.282 7.989 1.910
88 1HA GLY 10 2HA GLY 10 -2.137 8.032 4.165
89 2HA GLY 10 1HA GLY 10 -1.931 6.307 3.929
90 H ILE 11 H ILE 11 -0.904 5.908 1.548
91 HA ILE 11 HA ILE 11 1.134 7.859 0.889
92 HB ILE 11 HB ILE 11 3.057 6.451 1.344
93 1HG1 ILE 11 2HG1 ILE 11 1.833 4.489 3.080
94 2HG1 ILE 11 1HG1 ILE 11 1.167 4.371 1.455
95 1HG2 ILE 11 1HG2 ILE 11 3.125 6.611 3.735
96 2HG2 ILE 11 2HG2 ILE 11 1.365 6.633 3.827
97 3HG2 ILE 11 3HG2 ILE 11 2.227 7.988 3.098
98 1HD1 ILE 11 1HD1 ILE 11 4.059 4.635 1.466
99 2HD1 ILE 11 2HD1 ILE 11 3.029 3.455 0.659
100 3HD1 ILE 11 3HD1 ILE 11 3.491 3.214 2.343
101 H CYS 12 H CYS 12 2.908 5.994 -0.431
102 HA CYS 12 HA CYS 12 1.116 4.718 -2.354
103 1HB CYS 12 2HB CYS 12 1.902 6.981 -3.188
104 2HB CYS 12 1HB CYS 12 3.521 6.289 -3.257
105 H TYR 13 H TYR 13 1.712 2.856 -3.177
106 HA TYR 13 HA TYR 13 4.435 1.879 -2.850
107 1HB TYR 13 2HB TYR 13 2.540 1.214 -0.965
108 2HB TYR 13 1HB TYR 13 2.426 -0.125 -2.101
109 HD1 TYR 13 1HD TYR 13 4.174 -1.736 -2.296
110 HD2 TYR 13 2HD TYR 13 4.661 1.660 0.216
111 HE1 TYR 13 1HE TYR 13 6.157 -2.781 -1.279
112 HE2 TYR 13 2HE TYR 13 6.643 0.630 1.242
113 HH TYR 13 HH TYR 13 8.345 -1.739 -0.027
114 H ARG 14 H ARG 14 4.429 2.118 -5.124
115 HA ARG 14 HA ARG 14 2.548 0.988 -6.861
116 1HB ARG 14 2HB ARG 14 5.479 1.403 -7.445
117 2HB ARG 14 1HB ARG 14 4.159 1.355 -8.607
118 1HG ARG 14 2HG ARG 14 3.485 3.478 -8.144
119 2HG ARG 14 1HG ARG 14 4.029 3.411 -6.465
120 1HD ARG 14 2HD ARG 14 5.711 3.773 -8.938
121 2HD ARG 14 1HD ARG 14 5.450 4.931 -7.635
122 HE ARG 14 HE ARG 14 7.363 2.821 -7.690
123 1HH1 ARG 14 1HH1 ARG 14 5.301 4.664 -5.560
124 2HH1 ARG 14 2HH1 ARG 14 6.304 4.417 -4.171
125 1HH2 ARG 14 1HH2 ARG 14 8.684 2.497 -5.866
126 2HH2 ARG 14 2HH2 ARG 14 8.228 3.187 -4.344
127 H ARG 15 H ARG 15 2.201 -1.091 -5.787
128 HA ARG 15 HA ARG 15 3.607 -3.176 -7.138
129 1HB ARG 15 2HB ARG 15 4.051 -2.735 -4.203
130 2HB ARG 15 1HB ARG 15 4.144 -4.351 -4.892
131 1HG ARG 15 2HG ARG 15 5.808 -3.303 -6.557
132 2HG ARG 15 1HG ARG 15 5.909 -1.989 -5.385
133 1HD ARG 15 2HD ARG 15 6.816 -3.358 -3.740
134 2HD ARG 15 1HD ARG 15 6.241 -4.833 -4.515
135 HE ARG 15 HE ARG 15 8.696 -3.445 -5.043
136 1HH1 ARG 15 1HH1 ARG 15 6.292 -5.589 -6.388
137 2HH1 ARG 15 2HH1 ARG 15 7.379 -6.283 -7.544
138 1HH2 ARG 15 1HH2 ARG 15 10.125 -4.357 -6.564
139 2HH2 ARG 15 2HH2 ARG 15 9.554 -5.584 -7.645
140 H CYS 16 H CYS 16 2.270 -3.797 -3.995
141 HA CYS 16 HA CYS 16 0.537 -5.164 -3.388
142 1HB CYS 16 2HB CYS 16 -0.555 -2.995 -3.458
143 2HB CYS 16 1HB CYS 16 -0.868 -3.175 -5.180
144 H ARG 17 H ARG 17 1.244 -7.087 -4.431
145 HA ARG 17 HA ARG 17 -0.669 -8.272 -6.108
146 1HB ARG 17 2HB ARG 17 0.523 -8.510 -8.187
147 2HB ARG 17 1HB ARG 17 0.399 -6.797 -7.803
148 1HG ARG 17 2HG ARG 17 2.710 -6.850 -6.949
149 2HG ARG 17 1HG ARG 17 2.822 -8.544 -7.427
150 1HD ARG 17 2HD ARG 17 2.578 -6.109 -9.160
151 2HD ARG 17 1HD ARG 17 3.809 -7.370 -9.194
152 HE ARG 17 HE ARG 17 1.324 -7.373 -10.580
153 1HH1 ARG 17 1HH1 ARG 17 3.623 -9.470 -8.997
154 2HH1 ARG 17 2HH1 ARG 17 3.187 -10.860 -9.934
155 1HH2 ARG 17 1HH2 ARG 17 0.749 -9.200 -11.809
156 2HH2 ARG 17 2HH2 ARG 17 1.557 -10.707 -11.529
Start of MODEL 29
1 1H LYS 1 1HT LYS 1 -6.297 1.387 5.570
2 2H LYS 1 2HT LYS 1 -5.858 2.130 4.090
3 3H LYS 1 3HT LYS 1 -5.547 2.927 5.577
4 HA LYS 1 HA LYS 1 -3.581 1.968 4.603
5 1HB LYS 1 2HB LYS 1 -2.867 0.805 6.669
6 2HB LYS 1 1HB LYS 1 -3.720 2.306 6.997
7 1HG LYS 1 2HG LYS 1 -4.747 0.997 8.524
8 2HG LYS 1 1HG LYS 1 -5.786 0.633 7.148
9 1HD LYS 1 2HD LYS 1 -3.923 -1.229 6.748
10 2HD LYS 1 1HD LYS 1 -3.747 -1.047 8.494
11 1HE LYS 1 2HE LYS 1 -6.355 -1.242 8.477
12 2HE LYS 1 1HE LYS 1 -6.090 -2.002 6.908
13 1HZ LYS 1 1HZ LYS 1 -5.232 -3.834 7.848
14 2HZ LYS 1 2HZ LYS 1 -6.054 -3.316 9.232
15 3HZ LYS 1 3HZ LYS 1 -4.407 -2.980 9.053
16 H TRP 2 H TRP 2 -5.985 -0.480 5.539
17 HA TRP 2 HA TRP 2 -6.152 -2.710 5.045
18 1HB TRP 2 2HB TRP 2 -5.271 -1.883 2.283
19 2HB TRP 2 1HB TRP 2 -6.425 -3.136 2.731
20 HD1 TRP 2 HD TRP 2 -6.273 0.366 1.601
21 HE1 TRP 2 1HE TRP 2 -8.587 1.483 1.788
22 HE3 TRP 2 3HE TRP 2 -8.630 -3.136 4.481
23 HZ2 TRP 2 2HZ TRP 2 -11.080 0.947 2.999
24 HZ3 TRP 2 3HZ TRP 2 -10.979 -2.759 5.111
25 HH2 TRP 2 HH TRP 2 -12.178 -0.759 4.384
26 H CYS 3 H CYS 3 -4.797 -4.222 3.020
27 HA CYS 3 HA CYS 3 -2.604 -5.175 4.467
28 1HB CYS 3 2HB CYS 3 -3.977 -6.310 2.584
29 2HB CYS 3 1HB CYS 3 -2.836 -5.535 1.492
30 H PHE 4 H PHE 4 -2.850 -2.517 2.298
31 HA PHE 4 HA PHE 4 -0.217 -1.657 2.852
32 1HB PHE 4 2HB PHE 4 0.624 -1.716 0.481
33 2HB PHE 4 1HB PHE 4 0.540 -3.277 1.281
34 HD1 PHE 4 1HD PHE 4 -2.730 -2.241 0.401
35 HD2 PHE 4 2HD PHE 4 0.837 -3.901 -1.224
36 HE1 PHE 4 1HE PHE 4 -4.013 -3.138 -1.488
37 HE2 PHE 4 2HE PHE 4 -0.446 -4.801 -3.118
38 HZ PHE 4 HZ PHE 4 -2.874 -4.420 -3.253
39 H ARG 5 H ARG 5 0.372 0.280 1.435
40 HA ARG 5 HA ARG 5 -2.087 1.810 0.900
41 1HB ARG 5 2HB ARG 5 0.545 3.096 1.538
42 2HB ARG 5 1HB ARG 5 -1.079 3.734 1.753
43 1HG ARG 5 2HG ARG 5 -1.288 1.754 3.464
44 2HG ARG 5 1HG ARG 5 0.472 1.872 3.479
45 1HD ARG 5 2HD ARG 5 0.006 4.423 3.804
46 2HD ARG 5 1HD ARG 5 -1.574 3.866 4.352
47 HE ARG 5 HE ARG 5 -0.587 3.281 6.312
48 1HH1 ARG 5 1HH1 ARG 5 1.859 3.233 3.823
49 2HH1 ARG 5 2HH1 ARG 5 3.143 2.842 4.918
50 1HH2 ARG 5 1HH2 ARG 5 1.099 2.767 7.752
51 2HH2 ARG 5 2HH2 ARG 5 2.712 2.577 7.149
52 H VAL 6 H VAL 6 -1.578 0.479 -1.211
53 HA VAL 6 HA VAL 6 0.483 1.332 -2.918
54 HB VAL 6 HB VAL 6 -0.926 0.361 -4.750
55 1HG1 VAL 6 1HG1 VAL 6 0.510 -0.854 -2.729
56 2HG1 VAL 6 2HG1 VAL 6 -0.012 -1.609 -4.236
57 3HG1 VAL 6 3HG1 VAL 6 -0.992 -1.777 -2.781
58 1HG2 VAL 6 1HG2 VAL 6 -2.932 0.530 -2.653
59 2HG2 VAL 6 2HG2 VAL 6 -2.822 -1.084 -3.353
60 3HG2 VAL 6 3HG2 VAL 6 -3.130 0.307 -4.391
61 H CYS 7 H CYS 7 0.242 3.642 -2.412
62 HA CYS 7 HA CYS 7 -0.093 5.759 -3.134
63 1HB CYS 7 2HB CYS 7 -1.251 4.318 -5.515
64 2HB CYS 7 1HB CYS 7 -1.110 6.070 -5.430
65 H TYR 8 H TYR 8 -1.690 5.067 -1.215
66 HA TYR 8 HA TYR 8 -3.795 6.851 -1.330
67 1HB TYR 8 2HB TYR 8 -5.770 5.563 -1.551
68 2HB TYR 8 1HB TYR 8 -4.743 5.087 -2.894
69 HD1 TYR 8 1HD TYR 8 -2.945 3.299 -0.972
70 HD2 TYR 8 2HD TYR 8 -7.115 3.567 -1.770
71 HE1 TYR 8 1HE TYR 8 -3.218 0.937 -0.336
72 HE2 TYR 8 2HE TYR 8 -7.396 1.210 -1.132
73 HH TYR 8 HH TYR 8 -5.699 -0.905 -1.118
74 H ARG 9 H ARG 9 -5.536 6.096 0.512
75 HA ARG 9 HA ARG 9 -5.651 6.209 2.806
76 1HB ARG 9 2HB ARG 9 -4.328 3.507 2.590
77 2HB ARG 9 1HB ARG 9 -5.471 4.045 3.812
78 1HG ARG 9 2HG ARG 9 -6.147 3.760 0.896
79 2HG ARG 9 1HG ARG 9 -6.421 2.504 2.104
80 1HD ARG 9 2HD ARG 9 -7.477 5.230 2.643
81 2HD ARG 9 1HD ARG 9 -8.305 4.241 1.442
82 HE ARG 9 HE ARG 9 -8.021 2.600 3.606
83 1HH1 ARG 9 1HH1 ARG 9 -9.445 5.740 3.065
84 2HH1 ARG 9 2HH1 ARG 9 -10.645 5.546 4.297
85 1HH2 ARG 9 1HH2 ARG 9 -9.601 2.343 5.229
86 2HH2 ARG 9 2HH2 ARG 9 -10.734 3.619 5.525
87 H GLY 10 H GLY 10 -3.266 7.448 1.849
88 1HA GLY 10 2HA GLY 10 -1.896 8.284 3.912
89 2HA GLY 10 1HA GLY 10 -1.242 6.657 3.818
90 H ILE 11 H ILE 11 -0.308 6.052 1.627
91 HA ILE 11 HA ILE 11 0.643 8.246 -0.003
92 HB ILE 11 HB ILE 11 2.984 7.999 0.368
93 1HG1 ILE 11 2HG1 ILE 11 2.999 5.546 0.750
94 2HG1 ILE 11 1HG1 ILE 11 3.969 6.420 1.930
95 1HG2 ILE 11 1HG2 ILE 11 1.660 8.098 3.070
96 2HG2 ILE 11 2HG2 ILE 11 1.786 9.449 1.945
97 3HG2 ILE 11 3HG2 ILE 11 3.242 8.750 2.648
98 1HD1 ILE 11 1HD1 ILE 11 1.309 5.101 2.306
99 2HD1 ILE 11 2HD1 ILE 11 1.926 6.301 3.443
100 3HD1 ILE 11 3HD1 ILE 11 2.824 4.809 3.160
101 H CYS 12 H CYS 12 2.857 6.880 -1.173
102 HA CYS 12 HA CYS 12 1.396 4.861 -2.670
103 1HB CYS 12 2HB CYS 12 3.793 6.528 -3.237
104 2HB CYS 12 1HB CYS 12 3.615 4.991 -4.084
105 H TYR 13 H TYR 13 1.858 2.760 -2.715
106 HA TYR 13 HA TYR 13 4.291 1.804 -1.400
107 1HB TYR 13 2HB TYR 13 1.877 1.769 -0.101
108 2HB TYR 13 1HB TYR 13 1.908 0.175 -0.843
109 HD1 TYR 13 1HD TYR 13 3.622 2.424 1.515
110 HD2 TYR 13 2HD TYR 13 3.387 -1.521 -0.055
111 HE1 TYR 13 1HE TYR 13 5.066 1.626 3.335
112 HE2 TYR 13 2HE TYR 13 4.836 -2.336 1.761
113 HH TYR 13 HH TYR 13 6.761 -0.626 3.486
114 H ARG 14 H ARG 14 4.480 -0.656 -1.758
115 HA ARG 14 HA ARG 14 3.183 -1.655 -4.133
116 1HB ARG 14 2HB ARG 14 6.178 -1.243 -4.165
117 2HB ARG 14 1HB ARG 14 5.196 -1.927 -5.453
118 1HG ARG 14 2HG ARG 14 4.024 0.265 -5.635
119 2HG ARG 14 1HG ARG 14 5.179 0.923 -4.473
120 1HD ARG 14 2HD ARG 14 6.781 -0.321 -6.346
121 2HD ARG 14 1HD ARG 14 5.487 0.379 -7.317
122 HE ARG 14 HE ARG 14 6.615 2.195 -5.392
123 1HH1 ARG 14 1HH1 ARG 14 6.891 0.905 -8.623
124 2HH1 ARG 14 2HH1 ARG 14 7.754 2.277 -9.232
125 1HH2 ARG 14 1HH2 ARG 14 7.751 4.001 -6.191
126 2HH2 ARG 14 2HH2 ARG 14 8.243 4.035 -7.851
127 H ARG 15 H ARG 15 3.004 -2.662 -1.637
128 HA ARG 15 HA ARG 15 3.734 -5.338 -1.936
129 1HB ARG 15 2HB ARG 15 5.750 -3.636 -0.636
130 2HB ARG 15 1HB ARG 15 5.321 -5.076 0.276
131 1HG ARG 15 2HG ARG 15 5.654 -6.110 -2.208
132 2HG ARG 15 1HG ARG 15 6.837 -4.801 -2.214
133 1HD ARG 15 2HD ARG 15 7.506 -5.754 0.109
134 2HD ARG 15 1HD ARG 15 6.683 -7.209 -0.447
135 HE ARG 15 HE ARG 15 9.243 -6.279 -1.264
136 1HH1 ARG 15 1HH1 ARG 15 6.404 -7.959 -2.402
137 2HH1 ARG 15 2HH1 ARG 15 7.259 -8.838 -3.625
138 1HH2 ARG 15 1HH2 ARG 15 10.371 -7.433 -2.871
139 2HH2 ARG 15 2HH2 ARG 15 9.513 -8.541 -3.891
140 H CYS 16 H CYS 16 2.453 -6.533 -0.654
141 HA CYS 16 HA CYS 16 1.346 -5.269 1.762
142 1HB CYS 16 2HB CYS 16 -0.686 -5.311 0.827
143 2HB CYS 16 1HB CYS 16 -0.048 -6.104 -0.605
144 H ARG 17 H ARG 17 0.697 -6.724 3.444
145 HA ARG 17 HA ARG 17 2.539 -8.716 4.029
146 1HB ARG 17 2HB ARG 17 1.168 -7.602 5.731
147 2HB ARG 17 1HB ARG 17 -0.267 -8.401 5.107
148 1HG ARG 17 2HG ARG 17 1.350 -10.528 5.598
149 2HG ARG 17 1HG ARG 17 1.836 -9.410 6.876
150 1HD ARG 17 2HD ARG 17 -0.011 -9.859 8.024
151 2HD ARG 17 1HD ARG 17 -1.017 -9.412 6.647
152 HE ARG 17 HE ARG 17 -1.308 -11.636 6.179
153 1HH1 ARG 17 1HH1 ARG 17 1.333 -11.287 8.433
154 2HH1 ARG 17 2HH1 ARG 17 1.474 -12.988 8.723
155 1HH2 ARG 17 1HH2 ARG 17 -1.124 -13.873 6.561
156 2HH2 ARG 17 2HH2 ARG 17 0.079 -14.456 7.661
Start of MODEL 30
1 1H LYS 1 1HT LYS 1 -5.354 0.803 4.742
2 2H LYS 1 2HT LYS 1 -4.358 -0.591 4.771
3 3H LYS 1 3HT LYS 1 -4.235 0.579 6.018
4 HA LYS 1 HA LYS 1 -5.467 -0.897 7.081
5 1HB LYS 1 2HB LYS 1 -7.817 -0.204 6.994
6 2HB LYS 1 1HB LYS 1 -6.740 1.183 6.928
7 1HG LYS 1 2HG LYS 1 -7.933 1.860 5.184
8 2HG LYS 1 1HG LYS 1 -7.157 0.565 4.275
9 1HD LYS 1 2HD LYS 1 -8.986 -0.827 4.434
10 2HD LYS 1 1HD LYS 1 -9.582 -0.047 5.902
11 1HE LYS 1 2HE LYS 1 -10.786 1.450 4.751
12 2HE LYS 1 1HE LYS 1 -9.491 1.732 3.587
13 1HZ LYS 1 1HZ LYS 1 -11.753 -0.077 3.440
14 2HZ LYS 1 2HZ LYS 1 -10.289 -0.711 2.882
15 3HZ LYS 1 3HZ LYS 1 -10.909 0.707 2.201
16 H TRP 2 H TRP 2 -5.895 -1.110 3.623
17 HA TRP 2 HA TRP 2 -7.365 -3.626 3.923
18 1HB TRP 2 2HB TRP 2 -7.119 -3.432 1.250
19 2HB TRP 2 1HB TRP 2 -8.422 -2.675 2.156
20 HD1 TRP 2 HD TRP 2 -8.016 0.027 2.731
21 HE1 TRP 2 1HE TRP 2 -6.907 1.827 1.263
22 HE3 TRP 2 3HE TRP 2 -5.429 -3.011 -0.457
23 HZ2 TRP 2 2HZ TRP 2 -5.170 1.940 -0.959
24 HZ3 TRP 2 3HZ TRP 2 -4.072 -1.980 -2.231
25 HH2 TRP 2 HH TRP 2 -3.947 0.446 -2.476
26 H CYS 3 H CYS 3 -4.728 -2.668 1.721
27 HA CYS 3 HA CYS 3 -2.793 -4.423 2.694
28 1HB CYS 3 2HB CYS 3 -4.305 -6.224 2.047
29 2HB CYS 3 1HB CYS 3 -4.421 -5.573 0.417
30 H PHE 4 H PHE 4 -0.981 -3.581 1.979
31 HA PHE 4 HA PHE 4 0.626 -2.908 0.475
32 1HB PHE 4 2HB PHE 4 -1.640 -2.677 -1.504
33 2HB PHE 4 1HB PHE 4 0.017 -2.219 -1.859
34 HD1 PHE 4 1HD PHE 4 -2.335 -4.924 -1.625
35 HD2 PHE 4 2HD PHE 4 1.806 -3.959 -1.800
36 HE1 PHE 4 1HE PHE 4 -1.828 -7.240 -2.281
37 HE2 PHE 4 2HE PHE 4 2.322 -6.273 -2.457
38 HZ PHE 4 HZ PHE 4 0.503 -7.918 -2.699
39 H ARG 5 H ARG 5 -2.418 -1.156 0.482
40 HA ARG 5 HA ARG 5 -2.892 1.085 0.616
41 1HB ARG 5 2HB ARG 5 -0.818 0.471 2.625
42 2HB ARG 5 1HB ARG 5 -1.026 2.180 2.266
43 1HG ARG 5 2HG ARG 5 -3.434 1.945 2.762
44 2HG ARG 5 1HG ARG 5 -3.138 0.268 3.228
45 1HD ARG 5 2HD ARG 5 -2.116 0.845 5.171
46 2HD ARG 5 1HD ARG 5 -1.414 2.310 4.488
47 HE ARG 5 HE ARG 5 -4.274 2.394 4.868
48 1HH1 ARG 5 1HH1 ARG 5 -1.148 3.044 6.279
49 2HH1 ARG 5 2HH1 ARG 5 -1.761 4.203 7.409
50 1HH2 ARG 5 1HH2 ARG 5 -5.081 3.916 6.355
51 2HH2 ARG 5 2HH2 ARG 5 -3.994 4.698 7.452
52 H VAL 6 H VAL 6 -1.798 0.740 -1.726
53 HA VAL 6 HA VAL 6 0.446 2.614 -1.944
54 HB VAL 6 HB VAL 6 0.311 1.669 -4.441
55 1HG1 VAL 6 1HG1 VAL 6 2.375 1.354 -3.654
56 2HG1 VAL 6 2HG1 VAL 6 1.826 -0.265 -3.217
57 3HG1 VAL 6 3HG1 VAL 6 1.796 1.033 -2.022
58 1HG2 VAL 6 1HG2 VAL 6 -0.130 -0.754 -4.375
59 2HG2 VAL 6 2HG2 VAL 6 -1.579 0.194 -4.039
60 3HG2 VAL 6 3HG2 VAL 6 -0.712 -0.590 -2.718
61 H CYS 7 H CYS 7 0.109 4.548 -2.540
62 HA CYS 7 HA CYS 7 -0.692 6.414 -3.483
63 1HB CYS 7 2HB CYS 7 -1.996 4.487 -5.417
64 2HB CYS 7 1HB CYS 7 -1.877 6.230 -5.647
65 H TYR 8 H TYR 8 -1.954 5.309 -1.297
66 HA TYR 8 HA TYR 8 -4.316 6.802 -1.159
67 1HB TYR 8 2HB TYR 8 -5.013 4.800 -2.649
68 2HB TYR 8 1HB TYR 8 -4.941 3.860 -1.165
69 HD1 TYR 8 1HD TYR 8 -6.567 6.813 -2.719
70 HD2 TYR 8 2HD TYR 8 -6.738 3.866 0.346
71 HE1 TYR 8 1HE TYR 8 -8.850 7.536 -2.160
72 HE2 TYR 8 2HE TYR 8 -9.022 4.581 0.914
73 HH TYR 8 HH TYR 8 -10.903 5.731 -0.127
74 H ARG 9 H ARG 9 -5.575 6.223 0.892
75 HA ARG 9 HA ARG 9 -5.321 6.358 3.182
76 1HB ARG 9 2HB ARG 9 -4.744 3.512 2.392
77 2HB ARG 9 1HB ARG 9 -4.802 3.990 4.082
78 1HG ARG 9 2HG ARG 9 -7.078 4.699 2.297
79 2HG ARG 9 1HG ARG 9 -6.921 3.046 2.893
80 1HD ARG 9 2HD ARG 9 -6.819 3.927 5.199
81 2HD ARG 9 1HD ARG 9 -7.079 5.550 4.565
82 HE ARG 9 HE ARG 9 -9.184 4.167 3.585
83 1HH1 ARG 9 1HH1 ARG 9 -7.864 4.538 6.795
84 2HH1 ARG 9 2HH1 ARG 9 -9.395 4.344 7.582
85 1HH2 ARG 9 1HH2 ARG 9 -11.198 3.911 4.618
86 2HH2 ARG 9 2HH2 ARG 9 -11.287 3.989 6.347
87 H GLY 10 H GLY 10 -2.987 7.347 1.927
88 1HA GLY 10 2HA GLY 10 -1.231 7.867 3.829
89 2HA GLY 10 1HA GLY 10 -0.761 6.221 3.445
90 H ILE 11 H ILE 11 -0.282 5.814 1.080
91 HA ILE 11 HA ILE 11 0.343 7.854 -0.733
92 HB ILE 11 HB ILE 11 2.974 7.447 -0.427
93 1HG1 ILE 11 2HG1 ILE 11 3.680 7.427 1.850
94 2HG1 ILE 11 1HG1 ILE 11 2.031 7.605 2.437
95 1HG2 ILE 11 1HG2 ILE 11 1.279 9.562 -0.217
96 2HG2 ILE 11 2HG2 ILE 11 3.035 9.654 -0.096
97 3HG2 ILE 11 3HG2 ILE 11 2.054 9.562 1.367
98 1HD1 ILE 11 1HD1 ILE 11 2.649 5.210 0.810
99 2HD1 ILE 11 2HD1 ILE 11 1.561 5.400 2.186
100 3HD1 ILE 11 3HD1 ILE 11 3.301 5.286 2.445
101 H CYS 12 H CYS 12 2.529 6.891 -2.093
102 HA CYS 12 HA CYS 12 1.566 4.274 -2.956
103 1HB CYS 12 2HB CYS 12 3.634 6.042 -4.266
104 2HB CYS 12 1HB CYS 12 2.898 4.598 -4.956
105 H TYR 13 H TYR 13 2.340 2.872 -1.462
106 HA TYR 13 HA TYR 13 5.225 2.392 -1.613
107 1HB TYR 13 2HB TYR 13 5.629 2.541 0.611
108 2HB TYR 13 1HB TYR 13 4.257 3.634 0.548
109 HD1 TYR 13 1HD TYR 13 5.566 0.577 1.898
110 HD2 TYR 13 2HD TYR 13 1.988 2.774 1.238
111 HE1 TYR 13 1HE TYR 13 4.429 -0.781 3.605
112 HE2 TYR 13 2HE TYR 13 0.839 1.424 2.941
113 HH TYR 13 HH TYR 13 2.212 -1.433 4.261
114 H ARG 14 H ARG 14 5.132 0.602 -2.790
115 HA ARG 14 HA ARG 14 3.157 -1.435 -2.384
116 1HB ARG 14 2HB ARG 14 5.616 -1.866 -4.029
117 2HB ARG 14 1HB ARG 14 3.973 -2.419 -4.317
118 1HG ARG 14 2HG ARG 14 3.854 0.385 -4.394
119 2HG ARG 14 1HG ARG 14 5.304 -0.068 -5.290
120 1HD ARG 14 2HD ARG 14 2.742 -1.522 -5.781
121 2HD ARG 14 1HD ARG 14 2.998 0.066 -6.502
122 HE ARG 14 HE ARG 14 5.161 -1.778 -6.947
123 1HH1 ARG 14 1HH1 ARG 14 2.078 -0.635 -8.120
124 2HH1 ARG 14 2HH1 ARG 14 2.367 -1.146 -9.748
125 1HH2 ARG 14 1HH2 ARG 14 5.542 -2.452 -9.089
126 2HH2 ARG 14 2HH2 ARG 14 4.332 -2.177 -10.299
127 H ARG 15 H ARG 15 3.228 -2.883 -0.829
128 HA ARG 15 HA ARG 15 5.093 -4.815 -0.429
129 1HB ARG 15 2HB ARG 15 6.226 -4.042 1.710
130 2HB ARG 15 1HB ARG 15 6.805 -3.317 0.218
131 1HG ARG 15 2HG ARG 15 5.400 -1.338 0.679
132 2HG ARG 15 1HG ARG 15 4.941 -2.066 2.219
133 1HD ARG 15 2HD ARG 15 6.679 -0.777 2.928
134 2HD ARG 15 1HD ARG 15 7.568 -2.238 2.503
135 HE ARG 15 HE ARG 15 7.582 0.302 1.086
136 1HH1 ARG 15 1HH1 ARG 15 8.531 -3.063 1.112
137 2HH1 ARG 15 2HH1 ARG 15 9.756 -2.852 -0.093
138 1HH2 ARG 15 1HH2 ARG 15 9.192 0.574 -0.495
139 2HH2 ARG 15 2HH2 ARG 15 10.132 -0.791 -1.003
140 H CYS 16 H CYS 16 3.111 -5.868 -0.105
141 HA CYS 16 HA CYS 16 1.909 -5.438 2.555
142 1HB CYS 16 2HB CYS 16 0.432 -4.869 0.597
143 2HB CYS 16 1HB CYS 16 0.497 -6.563 0.129
144 H ARG 17 H ARG 17 1.737 -7.160 3.889
145 HA ARG 17 HA ARG 17 3.103 -9.586 3.124
146 1HB ARG 17 2HB ARG 17 2.736 -10.255 5.474
147 2HB ARG 17 1HB ARG 17 3.501 -8.678 5.336
148 1HG ARG 17 2HG ARG 17 1.917 -7.796 6.597
149 2HG ARG 17 1HG ARG 17 0.700 -8.267 5.410
150 1HD ARG 17 2HD ARG 17 1.742 -10.002 7.648
151 2HD ARG 17 1HD ARG 17 0.197 -9.152 7.644
152 HE ARG 17 HE ARG 17 0.784 -11.634 6.382
153 1HH1 ARG 17 1HH1 ARG 17 -1.134 -8.737 6.066
154 2HH1 ARG 17 2HH1 ARG 17 -2.371 -9.507 5.129
155 1HH2 ARG 17 1HH2 ARG 17 -0.840 -12.649 5.148
156 2HH2 ARG 17 2HH2 ARG 17 -2.204 -11.727 4.609
Start of MODEL 31
1 1H LYS 1 1HT LYS 1 -8.329 6.302 2.176
2 2H LYS 1 2HT LYS 1 -7.446 6.427 3.642
3 3H LYS 1 3HT LYS 1 -9.018 5.738 3.640
4 HA LYS 1 HA LYS 1 -6.636 4.648 2.297
5 1HB LYS 1 2HB LYS 1 -6.937 4.665 4.907
6 2HB LYS 1 1HB LYS 1 -8.108 3.392 4.586
7 1HG LYS 1 2HG LYS 1 -6.514 1.899 3.921
8 2HG LYS 1 1HG LYS 1 -5.410 3.158 3.366
9 1HD LYS 1 2HD LYS 1 -4.291 2.660 5.258
10 2HD LYS 1 1HD LYS 1 -5.498 3.703 6.014
11 1HE LYS 1 2HE LYS 1 -5.370 1.684 7.286
12 2HE LYS 1 1HE LYS 1 -6.898 1.678 6.405
13 1HZ LYS 1 1HZ LYS 1 -4.444 0.274 5.497
14 2HZ LYS 1 2HZ LYS 1 -5.986 0.173 4.808
15 3HZ LYS 1 3HZ LYS 1 -5.706 -0.468 6.347
16 H TRP 2 H TRP 2 -7.025 2.352 1.673
17 HA TRP 2 HA TRP 2 -9.554 1.224 1.422
18 1HB TRP 2 2HB TRP 2 -9.808 1.581 -1.121
19 2HB TRP 2 1HB TRP 2 -10.315 2.869 -0.041
20 HD1 TRP 2 HD TRP 2 -6.703 3.214 -0.067
21 HE1 TRP 2 1HE TRP 2 -5.930 4.933 -1.814
22 HE3 TRP 2 3HE TRP 2 -11.005 3.585 -2.815
23 HZ2 TRP 2 2HZ TRP 2 -6.994 6.271 -4.058
24 HZ3 TRP 2 3HZ TRP 2 -11.041 5.110 -4.745
25 HH2 TRP 2 HH TRP 2 -9.076 6.425 -5.353
26 H CYS 3 H CYS 3 -8.042 0.982 -1.638
27 HA CYS 3 HA CYS 3 -7.497 -1.697 -1.515
28 1HB CYS 3 2HB CYS 3 -7.452 -0.301 -3.578
29 2HB CYS 3 1HB CYS 3 -5.874 0.308 -3.091
30 H PHE 4 H PHE 4 -6.016 -2.967 -0.606
31 HA PHE 4 HA PHE 4 -4.063 -1.813 1.151
32 1HB PHE 4 2HB PHE 4 -3.677 -4.013 1.936
33 2HB PHE 4 1HB PHE 4 -5.398 -3.934 1.595
34 HD1 PHE 4 1HD PHE 4 -4.888 -4.160 -1.521
35 HD2 PHE 4 2HD PHE 4 -3.669 -6.419 1.880
36 HE1 PHE 4 1HE PHE 4 -4.693 -6.168 -2.927
37 HE2 PHE 4 2HE PHE 4 -3.469 -8.428 0.474
38 HZ PHE 4 HZ PHE 4 -3.980 -8.305 -1.931
39 H ARG 5 H ARG 5 -1.794 -2.109 1.045
40 HA ARG 5 HA ARG 5 0.180 -1.879 -0.075
41 1HB ARG 5 2HB ARG 5 -0.354 -4.100 -1.925
42 2HB ARG 5 1HB ARG 5 0.940 -3.899 -0.750
43 1HG ARG 5 2HG ARG 5 -0.999 -4.331 0.962
44 2HG ARG 5 1HG ARG 5 -1.747 -5.118 -0.426
45 1HD ARG 5 2HD ARG 5 0.851 -5.789 0.930
46 2HD ARG 5 1HD ARG 5 -0.565 -6.816 0.714
47 HE ARG 5 HE ARG 5 0.202 -6.297 -1.822
48 1HH1 ARG 5 1HH1 ARG 5 1.909 -7.479 0.984
49 2HH1 ARG 5 2HH1 ARG 5 3.029 -8.423 0.059
50 1HH2 ARG 5 1HH2 ARG 5 1.677 -7.538 -3.039
51 2HH2 ARG 5 2HH2 ARG 5 2.899 -8.455 -2.224
52 H VAL 6 H VAL 6 -0.474 0.092 -1.084
53 HA VAL 6 HA VAL 6 -0.114 0.270 -3.887
54 HB VAL 6 HB VAL 6 -2.237 -0.849 -4.068
55 1HG1 VAL 6 1HG1 VAL 6 -4.090 -0.309 -2.730
56 2HG1 VAL 6 2HG1 VAL 6 -3.408 1.268 -2.298
57 3HG1 VAL 6 3HG1 VAL 6 -2.691 -0.212 -1.650
58 1HG2 VAL 6 1HG2 VAL 6 -2.845 2.096 -4.394
59 2HG2 VAL 6 2HG2 VAL 6 -3.597 0.748 -5.245
60 3HG2 VAL 6 3HG2 VAL 6 -1.910 1.157 -5.559
61 H CYS 7 H CYS 7 -0.700 2.482 -4.741
62 HA CYS 7 HA CYS 7 0.047 4.576 -3.038
63 1HB CYS 7 2HB CYS 7 -0.791 4.264 -5.785
64 2HB CYS 7 1HB CYS 7 -1.537 5.695 -5.084
65 H TYR 8 H TYR 8 -1.255 4.447 -1.118
66 HA TYR 8 HA TYR 8 -3.954 5.529 -1.512
67 1HB TYR 8 2HB TYR 8 -4.912 4.029 0.111
68 2HB TYR 8 1HB TYR 8 -4.105 3.082 -1.134
69 HD1 TYR 8 1HD TYR 8 -2.605 1.420 -0.509
70 HD2 TYR 8 2HD TYR 8 -3.547 4.483 2.280
71 HE1 TYR 8 1HE TYR 8 -1.331 0.225 1.216
72 HE2 TYR 8 2HE TYR 8 -2.270 3.295 4.017
73 HH TYR 8 HH TYR 8 -1.465 0.211 3.922
74 H ARG 9 H ARG 9 -4.845 6.674 0.211
75 HA ARG 9 HA ARG 9 -4.671 8.458 1.628
76 1HB ARG 9 2HB ARG 9 -4.634 7.715 3.806
77 2HB ARG 9 1HB ARG 9 -4.939 6.220 2.930
78 1HG ARG 9 2HG ARG 9 -2.385 5.897 3.028
79 2HG ARG 9 1HG ARG 9 -2.433 7.127 4.294
80 1HD ARG 9 2HD ARG 9 -4.030 4.572 4.289
81 2HD ARG 9 1HD ARG 9 -2.538 4.835 5.192
82 HE ARG 9 HE ARG 9 -5.149 5.687 5.930
83 1HH1 ARG 9 1HH1 ARG 9 -1.780 6.581 6.104
84 2HH1 ARG 9 2HH1 ARG 9 -1.975 7.525 7.541
85 1HH2 ARG 9 1HH2 ARG 9 -5.409 6.931 7.821
86 2HH2 ARG 9 2HH2 ARG 9 -4.035 7.724 8.516
87 H GLY 10 H GLY 10 -2.874 8.944 3.739
88 1HA GLY 10 2HA GLY 10 -1.071 10.667 2.644
89 2HA GLY 10 1HA GLY 10 -0.870 9.937 4.224
90 H ILE 11 H ILE 11 -0.664 7.200 2.763
91 HA ILE 11 HA ILE 11 2.133 7.612 1.929
92 HB ILE 11 HB ILE 11 2.764 5.500 2.815
93 1HG1 ILE 11 2HG1 ILE 11 0.651 4.450 4.257
94 2HG1 ILE 11 1HG1 ILE 11 -0.112 4.951 2.752
95 1HG2 ILE 11 1HG2 ILE 11 2.282 7.550 4.349
96 2HG2 ILE 11 2HG2 ILE 11 2.695 5.989 5.058
97 3HG2 ILE 11 3HG2 ILE 11 1.013 6.516 5.004
98 1HD1 ILE 11 1HD1 ILE 11 1.740 3.675 1.570
99 2HD1 ILE 11 2HD1 ILE 11 0.528 2.721 2.426
100 3HD1 ILE 11 3HD1 ILE 11 2.116 2.981 3.147
101 H CYS 12 H CYS 12 2.117 7.618 -0.223
102 HA CYS 12 HA CYS 12 0.350 6.045 -1.797
103 1HB CYS 12 2HB CYS 12 2.155 8.142 -2.289
104 2HB CYS 12 1HB CYS 12 2.758 6.773 -3.227
105 H TYR 13 H TYR 13 0.521 3.857 -1.338
106 HA TYR 13 HA TYR 13 3.153 2.631 -1.393
107 1HB TYR 13 2HB TYR 13 0.945 2.068 0.018
108 2HB TYR 13 1HB TYR 13 0.667 1.039 -1.365
109 HD1 TYR 13 1HD TYR 13 1.336 -1.085 -1.239
110 HD2 TYR 13 2HD TYR 13 3.460 1.858 0.958
111 HE1 TYR 13 1HE TYR 13 2.783 -2.851 -0.284
112 HE2 TYR 13 2HE TYR 13 4.903 0.126 1.928
113 HH TYR 13 HH TYR 13 4.260 -2.921 2.103
114 H ARG 14 H ARG 14 2.541 0.221 -2.740
115 HA ARG 14 HA ARG 14 1.460 0.922 -5.322
116 1HB ARG 14 2HB ARG 14 4.408 0.333 -5.030
117 2HB ARG 14 1HB ARG 14 3.549 0.433 -6.562
118 1HG ARG 14 2HG ARG 14 2.927 2.799 -5.930
119 2HG ARG 14 1HG ARG 14 4.064 2.652 -4.588
120 1HD ARG 14 2HD ARG 14 5.140 1.829 -7.191
121 2HD ARG 14 1HD ARG 14 4.694 3.531 -7.091
122 HE ARG 14 HE ARG 14 6.872 2.220 -5.738
123 1HH1 ARG 14 1HH1 ARG 14 4.727 4.974 -5.731
124 2HH1 ARG 14 2HH1 ARG 14 5.803 5.968 -4.809
125 1HH2 ARG 14 1HH2 ARG 14 8.289 3.526 -4.526
126 2HH2 ARG 14 2HH2 ARG 14 7.826 5.146 -4.124
127 H ARG 15 H ARG 15 0.265 -0.756 -5.832
128 HA ARG 15 HA ARG 15 1.144 -3.253 -6.494
129 1HB ARG 15 2HB ARG 15 0.971 -2.993 -3.638
130 2HB ARG 15 1HB ARG 15 -0.181 -4.197 -4.198
131 1HG ARG 15 2HG ARG 15 2.572 -4.337 -5.279
132 2HG ARG 15 1HG ARG 15 2.325 -4.800 -3.594
133 1HD ARG 15 2HD ARG 15 2.154 -6.734 -5.067
134 2HD ARG 15 1HD ARG 15 0.611 -6.399 -4.282
135 HE ARG 15 HE ARG 15 0.880 -5.196 -6.882
136 1HH1 ARG 15 1HH1 ARG 15 -0.054 -8.072 -5.139
137 2HH1 ARG 15 2HH1 ARG 15 -1.096 -8.646 -6.395
138 1HH2 ARG 15 1HH2 ARG 15 -0.492 -5.950 -8.536
139 2HH2 ARG 15 2HH2 ARG 15 -1.346 -7.442 -8.323
140 H CYS 16 H CYS 16 -1.600 -2.936 -4.325
141 HA CYS 16 HA CYS 16 -3.838 -3.277 -4.659
142 1HB CYS 16 2HB CYS 16 -3.137 -1.008 -5.937
143 2HB CYS 16 1HB CYS 16 -3.758 -1.921 -7.301
144 H ARG 17 H ARG 17 -5.359 -3.598 -7.001
145 HA ARG 17 HA ARG 17 -4.144 -5.890 -8.362
146 1HB ARG 17 2HB ARG 17 -6.206 -6.056 -6.397
147 2HB ARG 17 1HB ARG 17 -6.899 -6.482 -7.955
148 1HG ARG 17 2HG ARG 17 -5.268 -8.211 -8.273
149 2HG ARG 17 1HG ARG 17 -4.403 -7.718 -6.814
150 1HD ARG 17 2HD ARG 17 -7.120 -8.179 -6.121
151 2HD ARG 17 1HD ARG 17 -6.557 -9.555 -7.069
152 HE ARG 17 HE ARG 17 -5.874 -8.978 -4.398
153 1HH1 ARG 17 1HH1 ARG 17 -4.437 -10.107 -7.372
154 2HH1 ARG 17 2HH1 ARG 17 -3.201 -11.019 -6.574
155 1HH2 ARG 17 1HH2 ARG 17 -4.247 -10.175 -3.348
156 2HH2 ARG 17 2HH2 ARG 17 -3.093 -11.058 -4.290
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