Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
11500 | 1rkk RC | 6020 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ARG 1 1HT ARG 1 0.756 -1.916 4.039
2 2H ARG 1 2HT ARG 1 -0.307 -3.046 4.731
3 3H ARG 1 3HT ARG 1 -0.577 -2.478 3.154
4 HA ARG 1 HA ARG 1 0.942 -3.863 2.227
5 1HB ARG 1 2HB ARG 1 2.526 -2.493 3.907
6 2HB ARG 1 1HB ARG 1 2.585 -4.061 4.715
7 1HG ARG 1 2HG ARG 1 3.490 -5.137 2.809
8 2HG ARG 1 1HG ARG 1 3.057 -3.797 1.746
9 1HD ARG 1 2HD ARG 1 5.179 -3.039 2.056
10 2HD ARG 1 1HD ARG 1 4.687 -2.630 3.713
11 HE ARG 1 HE ARG 1 5.262 -5.134 4.190
12 1HH1 ARG 1 1HH1 ARG 1 7.593 -3.225 4.249
13 2HH1 ARG 1 2HH1 ARG 1 8.733 -4.028 3.224
14 1HH2 ARG 1 1HH2 ARG 1 6.377 -6.146 1.815
15 2HH2 ARG 1 2HH2 ARG 1 8.045 -5.682 1.845
16 H ARG 2 H ARG 2 -0.171 -5.786 2.092
17 HA ARG 2 HA ARG 2 -0.913 -7.948 2.700
18 1HB ARG 2 2HB ARG 2 1.544 -7.444 3.929
19 2HB ARG 2 1HB ARG 2 0.527 -8.043 5.239
20 1HG ARG 2 2HG ARG 2 1.629 -9.927 4.131
21 2HG ARG 2 1HG ARG 2 -0.108 -9.988 3.821
22 1HD ARG 2 2HD ARG 2 0.185 -9.697 1.583
23 2HD ARG 2 1HD ARG 2 1.374 -8.402 1.829
24 HE ARG 2 HE ARG 2 3.066 -10.181 2.278
25 1HH1 ARG 2 1HH1 ARG 2 0.213 -11.850 2.081
26 2HH1 ARG 2 2HH1 ARG 2 0.724 -12.974 0.867
27 1HH2 ARG 2 1HH2 ARG 2 3.673 -11.291 0.169
28 2HH2 ARG 2 2HH2 ARG 2 2.682 -12.658 -0.216
29 H TRP 3 H TRP 3 -2.773 -8.596 3.754
30 HA TRP 3 HA TRP 3 -4.740 -8.251 5.053
31 1HB TRP 3 2HB TRP 3 -2.604 -7.957 7.183
32 2HB TRP 3 1HB TRP 3 -4.208 -8.676 7.362
33 HD1 TRP 3 HD TRP 3 -4.628 -10.883 5.654
34 HE1 TRP 3 1HE TRP 3 -2.994 -12.814 5.163
35 HE3 TRP 3 3HE TRP 3 -0.232 -8.703 7.072
36 HZ2 TRP 3 2HZ TRP 3 -0.197 -13.360 5.346
37 HZ3 TRP 3 3HZ TRP 3 1.901 -9.952 6.903
38 HH2 TRP 3 HH TRP 3 1.925 -12.278 6.043
39 H CYS 4 H CYS 4 -5.493 -6.183 4.337
40 HA CYS 4 HA CYS 4 -6.116 -3.902 4.670
41 1HB CYS 4 2HB CYS 4 -5.428 -5.099 7.271
42 2HB CYS 4 1HB CYS 4 -5.284 -3.342 7.246
43 H PHE 5 H PHE 5 -5.060 -2.064 4.021
44 HA PHE 5 HA PHE 5 -2.089 -2.025 4.184
45 1HB PHE 5 2HB PHE 5 -4.024 -0.236 2.681
46 2HB PHE 5 1HB PHE 5 -2.295 -0.411 2.382
47 HD1 PHE 5 1HD PHE 5 -1.421 -2.254 1.120
48 HD2 PHE 5 2HD PHE 5 -5.571 -2.149 2.223
49 HE1 PHE 5 1HE PHE 5 -1.875 -4.154 -0.407
50 HE2 PHE 5 2HE PHE 5 -6.025 -4.049 0.696
51 HZ PHE 5 HZ PHE 5 -4.177 -5.051 -0.619
52 H ARG 6 H ARG 6 -4.871 0.152 4.795
53 HA ARG 6 HA ARG 6 -5.075 1.979 6.281
54 1HB ARG 6 2HB ARG 6 -4.108 -0.114 7.635
55 2HB ARG 6 1HB ARG 6 -2.703 0.944 7.782
56 1HG ARG 6 2HG ARG 6 -3.979 2.651 8.858
57 2HG ARG 6 1HG ARG 6 -5.505 1.872 8.439
58 1HD ARG 6 2HD ARG 6 -5.376 0.993 10.550
59 2HD ARG 6 1HD ARG 6 -4.204 -0.128 9.831
60 HE ARG 6 HE ARG 6 -2.889 2.335 10.486
61 1HH1 ARG 6 1HH1 ARG 6 -4.594 1.650 12.945
62 2HH1 ARG 6 2HH1 ARG 6 -3.457 0.741 13.883
63 1HH2 ARG 6 1HH2 ARG 6 -1.272 0.240 11.238
64 2HH2 ARG 6 2HH2 ARG 6 -1.577 -0.057 12.917
65 H VAL 7 H VAL 7 -4.415 3.821 5.176
66 HA VAL 7 HA VAL 7 -1.630 4.729 5.603
67 HB VAL 7 HB VAL 7 -2.903 4.102 2.931
68 1HG1 VAL 7 1HG1 VAL 7 -1.178 6.325 3.616
69 2HG1 VAL 7 2HG1 VAL 7 -1.907 5.926 2.060
70 3HG1 VAL 7 3HG1 VAL 7 -0.352 5.226 2.512
71 1HG2 VAL 7 1HG2 VAL 7 -1.641 2.277 3.860
72 2HG2 VAL 7 2HG2 VAL 7 -0.323 3.349 4.331
73 3HG2 VAL 7 3HG2 VAL 7 -0.623 3.016 2.625
74 H CYS 8 H CYS 8 -2.015 6.747 6.439
75 HA CYS 8 HA CYS 8 -4.414 8.278 5.656
76 1HB CYS 8 2HB CYS 8 -2.211 8.453 7.683
77 2HB CYS 8 1HB CYS 8 -3.128 9.913 7.316
78 H TYR 9 H TYR 9 -4.386 9.674 3.955
79 HA TYR 9 HA TYR 9 -1.768 10.573 2.853
80 1HB TYR 9 2HB TYR 9 -4.195 9.634 1.799
81 2HB TYR 9 1HB TYR 9 -4.179 11.357 1.420
82 HD1 TYR 9 1HD TYR 9 -2.033 8.292 1.275
83 HD2 TYR 9 2HD TYR 9 -2.904 12.159 -0.383
84 HE1 TYR 9 1HE TYR 9 -0.403 7.878 -0.547
85 HE2 TYR 9 2HE TYR 9 -1.274 11.744 -2.205
86 HH TYR 9 HH TYR 9 1.050 9.511 -2.118
87 H ARG 10 H ARG 10 -2.532 11.819 5.295
88 HA ARG 10 HA ARG 10 -2.771 13.971 6.216
89 1HB ARG 10 2HB ARG 10 -2.293 14.748 3.321
90 2HB ARG 10 1HB ARG 10 -2.031 15.776 4.730
91 1HG ARG 10 2HG ARG 10 -0.413 13.990 5.570
92 2HG ARG 10 1HG ARG 10 -0.521 13.270 3.963
93 1HD ARG 10 2HD ARG 10 -0.038 15.848 3.266
94 2HD ARG 10 1HD ARG 10 0.831 15.774 4.814
95 HE ARG 10 HE ARG 10 2.011 13.749 3.917
96 1HH1 ARG 10 1HH1 ARG 10 1.235 16.411 1.998
97 2HH1 ARG 10 2HH1 ARG 10 1.728 15.689 0.502
98 1HH2 ARG 10 1HH2 ARG 10 2.263 12.555 1.885
99 2HH2 ARG 10 2HH2 ARG 10 2.310 13.507 0.438
100 H GLY 11 H GLY 11 -5.195 12.675 5.598
101 1HA GLY 11 2HA GLY 11 -7.188 14.486 5.854
102 2HA GLY 11 1HA GLY 11 -6.884 14.583 4.118
103 H PHE 12 H PHE 12 -6.285 11.866 3.615
104 HA PHE 12 HA PHE 12 -8.864 10.511 4.339
105 1HB PHE 12 2HB PHE 12 -7.781 11.389 1.807
106 2HB PHE 12 1HB PHE 12 -7.972 9.635 1.799
107 HD1 PHE 12 1HD PHE 12 -9.601 12.359 0.708
108 HD2 PHE 12 2HD PHE 12 -10.278 9.109 3.434
109 HE1 PHE 12 1HE PHE 12 -12.050 12.624 0.417
110 HE2 PHE 12 2HE PHE 12 -12.727 9.375 3.144
111 HZ PHE 12 HZ PHE 12 -13.613 11.132 1.636
112 H CYS 13 H CYS 13 -8.495 8.557 5.308
113 HA CYS 13 HA CYS 13 -5.819 7.266 4.915
114 1HB CYS 13 2HB CYS 13 -7.082 8.115 7.189
115 2HB CYS 13 1HB CYS 13 -7.597 6.428 7.128
116 H TYR 14 H TYR 14 -5.777 5.242 4.011
117 HA TYR 14 HA TYR 14 -8.264 4.078 2.984
118 1HB TYR 14 2HB TYR 14 -5.438 4.013 2.488
119 2HB TYR 14 1HB TYR 14 -6.005 2.356 2.695
120 HD1 TYR 14 1HD TYR 14 -7.303 1.283 1.021
121 HD2 TYR 14 2HD TYR 14 -6.645 5.524 0.838
122 HE1 TYR 14 1HE TYR 14 -8.298 1.340 -1.250
123 HE2 TYR 14 2HE TYR 14 -7.642 5.581 -1.432
124 HH TYR 14 HH TYR 14 -7.928 3.839 -3.356
125 H ARG 15 H ARG 15 -8.708 1.699 3.378
126 HA ARG 15 HA ARG 15 -7.623 0.331 5.662
127 1HB ARG 15 2HB ARG 15 -9.616 0.672 7.137
128 2HB ARG 15 1HB ARG 15 -8.705 2.151 6.846
129 1HG ARG 15 2HG ARG 15 -11.062 1.437 5.104
130 2HG ARG 15 1HG ARG 15 -11.295 2.244 6.650
131 1HD ARG 15 2HD ARG 15 -9.467 3.913 5.789
132 2HD ARG 15 1HD ARG 15 -9.902 3.277 4.190
133 HE ARG 15 HE ARG 15 -11.876 4.501 6.081
134 1HH1 ARG 15 1HH1 ARG 15 -12.131 2.626 3.438
135 2HH1 ARG 15 2HH1 ARG 15 -12.832 3.809 2.385
136 1HH2 ARG 15 1HH2 ARG 15 -12.194 6.470 4.515
137 2HH2 ARG 15 2HH2 ARG 15 -12.868 5.986 2.994
138 H LYS 16 H LYS 16 -7.771 -1.207 3.777
139 HA LYS 16 HA LYS 16 -10.482 -2.489 3.677
140 1HB LYS 16 2HB LYS 16 -8.976 -1.206 1.626
141 2HB LYS 16 1HB LYS 16 -8.961 -2.936 1.280
142 1HG LYS 16 2HG LYS 16 -11.572 -1.814 2.132
143 2HG LYS 16 1HG LYS 16 -10.993 -1.299 0.547
144 1HD LYS 16 2HD LYS 16 -11.249 -3.370 -0.364
145 2HD LYS 16 1HD LYS 16 -10.689 -4.186 1.097
146 1HE LYS 16 2HE LYS 16 -12.845 -3.952 2.155
147 2HE LYS 16 1HE LYS 16 -13.420 -2.879 0.864
148 1HZ LYS 16 1HZ LYS 16 -12.781 -4.784 -0.685
149 2HZ LYS 16 2HZ LYS 16 -14.198 -4.971 0.235
150 3HZ LYS 16 3HZ LYS 16 -12.767 -5.759 0.704
151 H CYS 17 H CYS 17 -10.212 -4.413 4.748
152 HA CYS 17 HA CYS 17 -7.608 -5.792 4.779
153 1HB CYS 17 2HB CYS 17 -10.237 -5.914 6.153
154 2HB CYS 17 1HB CYS 17 -9.388 -7.452 6.007
155 H ARG 18 H ARG 18 -7.103 -7.590 3.542
156 HA ARG 18 HA ARG 18 -9.065 -9.343 2.349
157 1HB ARG 18 2HB ARG 18 -9.397 -7.211 1.069
158 2HB ARG 18 1HB ARG 18 -7.721 -7.318 0.531
159 1HG ARG 18 2HG ARG 18 -8.129 -9.310 -0.700
160 2HG ARG 18 1HG ARG 18 -9.678 -9.577 0.098
161 1HD ARG 18 2HD ARG 18 -10.491 -8.622 -1.841
162 2HD ARG 18 1HD ARG 18 -10.118 -7.113 -0.983
163 HE ARG 18 HE ARG 18 -7.830 -7.254 -2.096
164 1HH1 ARG 18 1HH1 ARG 18 -9.317 -9.946 -3.207
165 2HH1 ARG 18 2HH1 ARG 18 -9.276 -9.539 -4.890
166 1HH2 ARG 18 1HH2 ARG 18 -8.316 -6.252 -4.343
167 2HH2 ARG 18 2HH2 ARG 18 -8.709 -7.447 -5.534
168 1HN NH2 19 1H ARG 18 -7.571 -11.031 3.006
169 2HN NH2 19 2H ARG 18 -6.049 -11.237 2.284
Start of MODEL 2
1 1H ARG 1 1HT ARG 1 5.079 7.955 3.116
2 2H ARG 1 2HT ARG 1 3.434 7.586 3.325
3 3H ARG 1 3HT ARG 1 3.936 9.204 3.208
4 HA ARG 1 HA ARG 1 2.977 8.596 1.112
5 1HB ARG 1 2HB ARG 1 5.229 9.891 1.481
6 2HB ARG 1 1HB ARG 1 5.962 8.462 0.755
7 1HG ARG 1 2HG ARG 1 3.773 9.046 -0.892
8 2HG ARG 1 1HG ARG 1 4.489 10.616 -0.525
9 1HD ARG 1 2HD ARG 1 6.327 8.363 -1.267
10 2HD ARG 1 1HD ARG 1 5.422 9.185 -2.554
11 HE ARG 1 HE ARG 1 6.367 11.299 -1.106
12 1HH1 ARG 1 1HH2 ARG 1 7.541 10.023 -3.734
13 2HH1 ARG 1 2HH2 ARG 1 9.224 10.036 -3.326
14 1HH2 ARG 1 1HH1 ARG 1 8.675 10.634 0.045
15 2HH2 ARG 1 2HH1 ARG 1 9.866 10.381 -1.186
16 H ARG 2 H ARG 2 2.092 6.491 0.882
17 HA ARG 2 HA ARG 2 3.557 4.605 -0.715
18 1HB ARG 2 2HB ARG 2 3.962 2.877 0.941
19 2HB ARG 2 1HB ARG 2 4.704 4.372 1.510
20 1HG ARG 2 2HG ARG 2 3.114 4.689 3.176
21 2HG ARG 2 1HG ARG 2 1.879 3.769 2.317
22 1HD ARG 2 2HD ARG 2 2.661 1.734 3.090
23 2HD ARG 2 1HD ARG 2 4.339 2.304 3.197
24 HE ARG 2 HE ARG 2 2.373 3.543 5.039
25 1HH1 ARG 2 1HH1 ARG 2 5.532 3.281 4.986
26 2HH1 ARG 2 2HH1 ARG 2 5.748 2.317 6.409
27 1HH2 ARG 2 1HH2 ARG 2 2.396 1.466 6.660
28 2HH2 ARG 2 2HH2 ARG 2 3.971 1.291 7.357
29 H TRP 3 H TRP 3 2.319 2.555 -0.968
30 HA TRP 3 HA TRP 3 -0.612 2.988 -0.477
31 1HB TRP 3 2HB TRP 3 -0.710 1.531 -2.646
32 2HB TRP 3 1HB TRP 3 -0.232 3.222 -2.800
33 HD1 TRP 3 HD TRP 3 1.035 -0.290 -3.252
34 HE1 TRP 3 1HE TRP 3 3.451 -0.230 -4.153
35 HE3 TRP 3 3HE TRP 3 2.050 4.685 -2.720
36 HZ2 TRP 3 2HZ TRP 3 5.539 1.680 -4.585
37 HZ3 TRP 3 3HZ TRP 3 4.256 5.598 -3.384
38 HH2 TRP 3 HH TRP 3 6.000 4.102 -4.317
39 H CYS 4 H CYS 4 -0.589 1.690 1.474
40 HA CYS 4 HA CYS 4 -0.963 -1.138 1.070
41 1HB CYS 4 2HB CYS 4 1.587 -0.663 0.844
42 2HB CYS 4 1HB CYS 4 1.547 -0.451 2.595
43 H PHE 5 H PHE 5 -1.997 -2.003 2.856
44 HA PHE 5 HA PHE 5 -3.247 -1.884 4.873
45 1HB PHE 5 2HB PHE 5 -0.519 -0.855 5.723
46 2HB PHE 5 1HB PHE 5 -1.712 -1.614 6.779
47 HD1 PHE 5 1HD PHE 5 1.264 -2.290 5.291
48 HD2 PHE 5 2HD PHE 5 -2.721 -3.886 5.430
49 HE1 PHE 5 1HE PHE 5 2.139 -4.528 4.675
50 HE2 PHE 5 2HE PHE 5 -1.847 -6.123 4.815
51 HZ PHE 5 HZ PHE 5 0.583 -6.445 4.437
52 H ARG 6 H ARG 6 -3.198 -0.178 7.016
53 HA ARG 6 HA ARG 6 -4.744 2.031 6.311
54 1HB ARG 6 2HB ARG 6 -2.847 1.420 8.573
55 2HB ARG 6 1HB ARG 6 -3.728 2.947 8.539
56 1HG ARG 6 2HG ARG 6 -5.857 1.789 8.484
57 2HG ARG 6 1HG ARG 6 -5.050 0.230 8.311
58 1HD ARG 6 2HD ARG 6 -5.183 0.107 10.585
59 2HD ARG 6 1HD ARG 6 -3.873 1.304 10.597
60 HE ARG 6 HE ARG 6 -6.563 2.435 10.246
61 1HH1 ARG 6 1HH2 ARG 6 -5.990 0.879 12.923
62 2HH1 ARG 6 2HH2 ARG 6 -5.623 2.222 13.955
63 1HH2 ARG 6 1HH1 ARG 6 -5.241 4.468 11.340
64 2HH2 ARG 6 2HH1 ARG 6 -5.199 4.254 13.058
65 H VAL 7 H VAL 7 -4.255 3.786 5.057
66 HA VAL 7 HA VAL 7 -1.488 4.919 5.214
67 HB VAL 7 HB VAL 7 -3.167 4.210 2.795
68 1HG1 VAL 7 1HG1 VAL 7 -2.288 6.383 2.309
69 2HG1 VAL 7 2HG1 VAL 7 -1.212 5.233 1.515
70 3HG1 VAL 7 3HG1 VAL 7 -0.730 5.988 3.035
71 1HG2 VAL 7 1HG2 VAL 7 -0.843 3.088 4.175
72 2HG2 VAL 7 2HG2 VAL 7 -0.533 3.375 2.462
73 3HG2 VAL 7 3HG2 VAL 7 -1.882 2.352 2.954
74 H CYS 8 H CYS 8 -2.050 6.814 6.317
75 HA CYS 8 HA CYS 8 -4.451 8.345 5.539
76 1HB CYS 8 2HB CYS 8 -2.269 8.547 7.616
77 2HB CYS 8 1HB CYS 8 -3.409 9.870 7.374
78 H TYR 9 H TYR 9 -4.259 9.555 3.690
79 HA TYR 9 HA TYR 9 -1.644 10.668 2.879
80 1HB TYR 9 2HB TYR 9 -4.134 9.866 1.686
81 2HB TYR 9 1HB TYR 9 -3.803 11.540 1.238
82 HD1 TYR 9 1HD TYR 9 -2.438 11.929 -0.608
83 HD2 TYR 9 2HD TYR 9 -1.991 8.270 1.597
84 HE1 TYR 9 1HE TYR 9 -0.728 11.159 -2.231
85 HE2 TYR 9 2HE TYR 9 -0.282 7.500 -0.026
86 HH TYR 9 HH TYR 9 1.268 9.495 -2.146
87 H ARG 10 H ARG 10 -2.449 11.819 5.297
88 HA ARG 10 HA ARG 10 -2.808 13.916 6.299
89 1HB ARG 10 2HB ARG 10 -2.059 14.599 3.446
90 2HB ARG 10 1HB ARG 10 -2.245 15.829 4.697
91 1HG ARG 10 2HG ARG 10 -0.572 14.552 6.088
92 2HG ARG 10 1HG ARG 10 -0.290 13.514 4.690
93 1HD ARG 10 2HD ARG 10 -0.156 16.256 3.830
94 2HD ARG 10 1HD ARG 10 0.919 16.030 5.225
95 HE ARG 10 HE ARG 10 0.990 14.006 3.043
96 1HH1 ARG 10 1HH2 ARG 10 2.678 15.439 5.538
97 2HH1 ARG 10 2HH2 ARG 10 4.165 15.631 4.670
98 1HH2 ARG 10 1HH1 ARG 10 2.805 14.732 1.610
99 2HH2 ARG 10 2HH1 ARG 10 4.237 15.231 2.446
100 H GLY 11 H GLY 11 -5.191 12.633 5.633
101 1HA GLY 11 2HA GLY 11 -7.211 14.414 5.840
102 2HA GLY 11 1HA GLY 11 -6.865 14.526 4.114
103 H PHE 12 H PHE 12 -6.247 11.832 3.575
104 HA PHE 12 HA PHE 12 -8.863 10.487 4.184
105 1HB PHE 12 2HB PHE 12 -7.628 11.323 1.736
106 2HB PHE 12 1HB PHE 12 -7.700 9.561 1.744
107 HD1 PHE 12 1HD PHE 12 -10.012 12.007 3.362
108 HD2 PHE 12 2HD PHE 12 -9.494 9.043 0.297
109 HE1 PHE 12 1HE PHE 12 -12.439 12.101 2.862
110 HE2 PHE 12 2HE PHE 12 -11.921 9.138 -0.204
111 HZ PHE 12 HZ PHE 12 -13.393 10.667 1.079
112 H CYS 13 H CYS 13 -8.594 8.577 5.257
113 HA CYS 13 HA CYS 13 -5.923 7.223 5.114
114 1HB CYS 13 2HB CYS 13 -8.143 7.207 7.186
115 2HB CYS 13 1HB CYS 13 -6.646 6.285 7.320
116 H TYR 14 H TYR 14 -5.871 5.198 4.203
117 HA TYR 14 HA TYR 14 -8.400 3.618 4.054
118 1HB TYR 14 2HB TYR 14 -8.086 3.316 1.657
119 2HB TYR 14 1HB TYR 14 -8.083 5.045 2.009
120 HD1 TYR 14 1HD TYR 14 -5.948 6.315 2.062
121 HD2 TYR 14 2HD TYR 14 -6.100 2.187 0.887
122 HE1 TYR 14 1HE TYR 14 -3.686 6.515 1.066
123 HE2 TYR 14 2HE TYR 14 -3.838 2.386 -0.108
124 HH TYR 14 HH TYR 14 -2.441 5.036 -0.977
125 H ARG 15 H ARG 15 -7.877 1.334 3.240
126 HA ARG 15 HA ARG 15 -5.092 0.510 3.984
127 1HB ARG 15 2HB ARG 15 -6.405 0.044 5.904
128 2HB ARG 15 1HB ARG 15 -7.783 -0.477 4.936
129 1HG ARG 15 2HG ARG 15 -5.309 -2.018 4.471
130 2HG ARG 15 1HG ARG 15 -5.986 -2.188 6.090
131 1HD ARG 15 2HD ARG 15 -7.606 -3.550 5.288
132 2HD ARG 15 1HD ARG 15 -8.122 -2.293 4.146
133 HE ARG 15 HE ARG 15 -5.990 -3.129 2.818
134 1HH1 ARG 15 1HH2 ARG 15 -6.865 -5.330 5.145
135 2HH1 ARG 15 2HH2 ARG 15 -7.202 -6.637 4.060
136 1HH2 ARG 15 1HH1 ARG 15 -6.988 -4.673 1.209
137 2HH2 ARG 15 2HH1 ARG 15 -7.272 -6.265 1.831
138 H LYS 16 H LYS 16 -4.240 -0.496 2.203
139 HA LYS 16 HA LYS 16 -5.430 -2.769 0.944
140 1HB LYS 16 2HB LYS 16 -6.390 -0.167 0.138
141 2HB LYS 16 1HB LYS 16 -5.587 -0.949 -1.223
142 1HG LYS 16 2HG LYS 16 -6.974 -3.055 -0.415
143 2HG LYS 16 1HG LYS 16 -8.013 -1.824 0.302
144 1HD LYS 16 2HD LYS 16 -7.456 -0.868 -2.272
145 2HD LYS 16 1HD LYS 16 -7.742 -2.595 -2.488
146 1HE LYS 16 2HE LYS 16 -9.699 -1.621 -0.640
147 2HE LYS 16 1HE LYS 16 -9.692 -0.550 -2.056
148 1HZ LYS 16 1HZ LYS 16 -11.040 -2.714 -2.201
149 2HZ LYS 16 2HZ LYS 16 -9.534 -3.482 -2.369
150 3HZ LYS 16 3HZ LYS 16 -10.027 -2.317 -3.502
151 H CYS 17 H CYS 17 -3.735 -3.824 -0.007
152 HA CYS 17 HA CYS 17 -1.404 -2.180 -0.948
153 1HB CYS 17 2HB CYS 17 -1.416 -3.761 1.208
154 2HB CYS 17 1HB CYS 17 -1.117 -5.005 -0.005
155 H ARG 18 H ARG 18 -0.946 -2.475 -3.095
156 HA ARG 18 HA ARG 18 -2.429 -4.400 -4.700
157 1HB ARG 18 2HB ARG 18 -0.338 -2.282 -5.087
158 2HB ARG 18 1HB ARG 18 -0.643 -3.420 -6.401
159 1HG ARG 18 2HG ARG 18 -3.185 -2.805 -5.815
160 2HG ARG 18 1HG ARG 18 -2.422 -1.312 -5.268
161 1HD ARG 18 2HD ARG 18 -2.287 -2.538 -8.042
162 2HD ARG 18 1HD ARG 18 -2.935 -0.950 -7.585
163 HE ARG 18 HE ARG 18 -0.477 -0.564 -6.723
164 1HH1 ARG 18 1HH1 ARG 18 -1.297 -0.248 -9.731
165 2HH1 ARG 18 2HH1 ARG 18 0.094 -0.950 -10.485
166 1HH2 ARG 18 1HH2 ARG 18 1.265 -2.418 -7.569
167 2HH2 ARG 18 2HH2 ARG 18 1.544 -2.180 -9.262
168 1HN NH2 19 1H ARG 18 -0.722 -5.564 -6.465
169 2HN NH2 19 2H ARG 18 0.423 -6.554 -5.697
Start of MODEL 3
1 1H ARG 1 1HT ARG 1 5.930 -7.106 8.863
2 2H ARG 1 2HT ARG 1 6.459 -5.718 9.685
3 3H ARG 1 3HT ARG 1 6.547 -5.789 7.990
4 HA ARG 1 HA ARG 1 4.184 -5.712 7.769
5 1HB ARG 1 2HB ARG 1 4.379 -7.025 10.208
6 2HB ARG 1 1HB ARG 1 3.660 -5.475 10.647
7 1HG ARG 1 2HG ARG 1 1.881 -5.779 9.020
8 2HG ARG 1 1HG ARG 1 2.636 -7.254 8.417
9 1HD ARG 1 2HD ARG 1 0.878 -7.943 9.928
10 2HD ARG 1 1HD ARG 1 2.406 -8.179 10.800
11 HE ARG 1 HE ARG 1 1.988 -6.052 11.974
12 1HH1 ARG 1 1HH2 ARG 1 -0.476 -7.827 12.377
13 2HH1 ARG 1 2HH2 ARG 1 -1.750 -6.683 12.115
14 1HH2 ARG 1 1HH1 ARG 1 0.311 -4.334 10.615
15 2HH2 ARG 1 2HH1 ARG 1 -1.305 -4.705 11.117
16 H ARG 2 H ARG 2 3.819 -3.607 7.203
17 HA ARG 2 HA ARG 2 3.699 -1.444 9.089
18 1HB ARG 2 2HB ARG 2 5.777 -0.300 8.538
19 2HB ARG 2 1HB ARG 2 6.165 -1.941 9.047
20 1HG ARG 2 2HG ARG 2 6.719 -2.626 6.895
21 2HG ARG 2 1HG ARG 2 5.702 -1.403 6.133
22 1HD ARG 2 2HD ARG 2 7.637 -0.243 5.820
23 2HD ARG 2 1HD ARG 2 7.553 0.111 7.557
24 HE ARG 2 HE ARG 2 8.965 -2.294 6.457
25 1HH1 ARG 2 1HH2 ARG 2 8.078 -1.237 9.408
26 2HH1 ARG 2 2HH2 ARG 2 9.669 -0.983 10.043
27 1HH2 ARG 2 1HH1 ARG 2 11.238 -1.317 6.969
28 2HH2 ARG 2 2HH1 ARG 2 11.458 -1.028 8.663
29 H TRP 3 H TRP 3 2.890 0.457 8.079
30 HA TRP 3 HA TRP 3 1.608 1.548 6.404
31 1HB TRP 3 2HB TRP 3 3.915 0.663 4.658
32 2HB TRP 3 1HB TRP 3 3.022 2.182 4.591
33 HD1 TRP 3 HD TRP 3 6.277 1.531 5.229
34 HE1 TRP 3 1HE TRP 3 7.295 2.800 7.229
35 HE3 TRP 3 3HE TRP 3 2.007 2.866 7.695
36 HZ2 TRP 3 2HZ TRP 3 6.416 4.195 9.564
37 HZ3 TRP 3 3HZ TRP 3 2.127 4.163 9.803
38 HH2 TRP 3 HH TRP 3 4.324 4.829 10.740
39 H CYS 4 H CYS 4 -0.097 -0.123 6.325
40 HA CYS 4 HA CYS 4 -0.461 -1.237 3.668
41 1HB CYS 4 2HB CYS 4 1.261 -2.701 5.007
42 2HB CYS 4 1HB CYS 4 -0.171 -3.294 5.847
43 H PHE 5 H PHE 5 -2.631 -1.702 3.353
44 HA PHE 5 HA PHE 5 -4.945 -1.757 3.842
45 1HB PHE 5 2HB PHE 5 -3.660 -3.016 6.280
46 2HB PHE 5 1HB PHE 5 -5.404 -3.002 6.020
47 HD1 PHE 5 1HD PHE 5 -2.585 -4.974 5.638
48 HD2 PHE 5 2HD PHE 5 -6.020 -3.652 3.422
49 HE1 PHE 5 1HE PHE 5 -2.382 -6.945 4.147
50 HE2 PHE 5 2HE PHE 5 -5.817 -5.624 1.931
51 HZ PHE 5 HZ PHE 5 -3.997 -7.270 2.293
52 H ARG 6 H ARG 6 -3.057 0.505 4.919
53 HA ARG 6 HA ARG 6 -5.116 2.144 6.081
54 1HB ARG 6 2HB ARG 6 -4.702 0.470 7.906
55 2HB ARG 6 1HB ARG 6 -3.032 1.030 7.987
56 1HG ARG 6 2HG ARG 6 -3.600 2.885 9.149
57 2HG ARG 6 1HG ARG 6 -4.967 3.226 8.087
58 1HD ARG 6 2HD ARG 6 -5.025 1.057 10.211
59 2HD ARG 6 1HD ARG 6 -5.639 2.702 10.472
60 HE ARG 6 HE ARG 6 -6.726 0.779 8.460
61 1HH1 ARG 6 1HH2 ARG 6 -6.853 3.849 7.987
62 2HH1 ARG 6 2HH2 ARG 6 -8.467 4.172 8.527
63 1HH2 ARG 6 1HH1 ARG 6 -8.819 1.125 10.143
64 2HH2 ARG 6 2HH1 ARG 6 -9.579 2.629 9.748
65 H VAL 7 H VAL 7 -4.301 3.841 4.815
66 HA VAL 7 HA VAL 7 -1.606 4.869 5.592
67 HB VAL 7 HB VAL 7 -2.707 4.506 2.786
68 1HG1 VAL 7 1HG1 VAL 7 -0.220 5.126 2.285
69 2HG1 VAL 7 2HG1 VAL 7 -0.244 5.831 3.901
70 3HG1 VAL 7 3HG1 VAL 7 -1.354 6.422 2.665
71 1HG2 VAL 7 1HG2 VAL 7 -0.348 3.128 2.923
72 2HG2 VAL 7 2HG2 VAL 7 -1.933 2.393 3.165
73 3HG2 VAL 7 3HG2 VAL 7 -0.971 2.891 4.556
74 H CYS 8 H CYS 8 -2.185 6.801 6.528
75 HA CYS 8 HA CYS 8 -4.476 8.361 5.557
76 1HB CYS 8 2HB CYS 8 -2.412 8.555 7.739
77 2HB CYS 8 1HB CYS 8 -3.419 9.952 7.367
78 H TYR 9 H TYR 9 -4.235 9.580 3.733
79 HA TYR 9 HA TYR 9 -1.567 10.582 2.935
80 1HB TYR 9 2HB TYR 9 -3.688 9.551 1.593
81 2HB TYR 9 1HB TYR 9 -4.047 11.272 1.445
82 HD1 TYR 9 1HD TYR 9 -1.603 12.645 1.135
83 HD2 TYR 9 2HD TYR 9 -2.615 8.724 -0.299
84 HE1 TYR 9 1HE TYR 9 0.114 12.851 -0.641
85 HE2 TYR 9 2HE TYR 9 -0.897 8.931 -2.075
86 HH TYR 9 HH TYR 9 1.536 11.067 -2.038
87 H ARG 10 H ARG 10 -2.543 11.786 5.332
88 HA ARG 10 HA ARG 10 -2.845 13.924 6.267
89 1HB ARG 10 2HB ARG 10 -0.949 14.271 4.632
90 2HB ARG 10 1HB ARG 10 -2.145 14.807 3.451
91 1HG ARG 10 2HG ARG 10 -1.178 16.748 4.595
92 2HG ARG 10 1HG ARG 10 -2.880 16.579 5.030
93 1HD ARG 10 2HD ARG 10 -1.450 15.005 6.900
94 2HD ARG 10 1HD ARG 10 -0.579 16.546 6.775
95 HE ARG 10 HE ARG 10 -2.850 17.654 7.095
96 1HH1 ARG 10 1HH1 ARG 10 -1.648 15.166 8.975
97 2HH1 ARG 10 2HH1 ARG 10 -3.133 14.823 9.798
98 1HH2 ARG 10 1HH2 ARG 10 -5.040 16.899 7.778
99 2HH2 ARG 10 2HH2 ARG 10 -5.053 15.805 9.120
100 H GLY 11 H GLY 11 -5.224 12.719 5.543
101 1HA GLY 11 2HA GLY 11 -7.125 14.720 5.477
102 2HA GLY 11 1HA GLY 11 -6.794 14.418 3.770
103 H PHE 12 H PHE 12 -6.473 11.725 3.623
104 HA PHE 12 HA PHE 12 -8.867 10.509 4.936
105 1HB PHE 12 2HB PHE 12 -8.719 11.463 2.294
106 2HB PHE 12 1HB PHE 12 -8.562 9.712 2.158
107 HD1 PHE 12 1HD PHE 12 -10.746 12.486 3.180
108 HD2 PHE 12 2HD PHE 12 -10.345 8.216 2.936
109 HE1 PHE 12 1HE PHE 12 -13.180 12.234 3.584
110 HE2 PHE 12 2HE PHE 12 -12.779 7.965 3.340
111 HZ PHE 12 HZ PHE 12 -14.196 9.974 3.665
112 H CYS 13 H CYS 13 -8.451 8.416 5.590
113 HA CYS 13 HA CYS 13 -5.810 7.243 4.870
114 1HB CYS 13 2HB CYS 13 -7.305 7.543 7.219
115 2HB CYS 13 1HB CYS 13 -7.444 5.830 6.827
116 H TYR 14 H TYR 14 -5.661 5.384 3.663
117 HA TYR 14 HA TYR 14 -8.212 3.937 3.023
118 1HB TYR 14 2HB TYR 14 -7.190 3.686 0.719
119 2HB TYR 14 1HB TYR 14 -7.598 5.345 1.155
120 HD1 TYR 14 1HD TYR 14 -4.896 2.979 0.465
121 HD2 TYR 14 2HD TYR 14 -5.827 6.946 1.825
122 HE1 TYR 14 1HE TYR 14 -2.535 3.654 0.113
123 HE2 TYR 14 2HE TYR 14 -3.466 7.620 1.474
124 HH TYR 14 HH TYR 14 -1.060 5.301 0.221
125 H ARG 15 H ARG 15 -6.996 1.944 1.432
126 HA ARG 15 HA ARG 15 -5.150 0.602 3.381
127 1HB ARG 15 2HB ARG 15 -7.634 -0.307 1.939
128 2HB ARG 15 1HB ARG 15 -6.432 -1.489 2.458
129 1HG ARG 15 2HG ARG 15 -7.268 -1.410 4.543
130 2HG ARG 15 1HG ARG 15 -6.861 0.304 4.632
131 1HD ARG 15 2HD ARG 15 -9.272 0.008 5.028
132 2HD ARG 15 1HD ARG 15 -9.032 0.823 3.469
133 HE ARG 15 HE ARG 15 -9.212 -2.144 3.471
134 1HH1 ARG 15 1HH2 ARG 15 -11.175 0.607 3.482
135 2HH1 ARG 15 2HH2 ARG 15 -12.082 0.169 2.073
136 1HH2 ARG 15 1HH1 ARG 15 -10.099 -2.577 1.327
137 2HH2 ARG 15 2HH1 ARG 15 -11.473 -1.633 0.853
138 H LYS 16 H LYS 16 -3.205 0.324 2.378
139 HA LYS 16 HA LYS 16 -2.992 -1.034 -0.183
140 1HB LYS 16 2HB LYS 16 -3.311 1.820 -0.103
141 2HB LYS 16 1HB LYS 16 -1.684 1.451 -0.676
142 1HG LYS 16 2HG LYS 16 -3.257 -0.403 -2.011
143 2HG LYS 16 1HG LYS 16 -4.260 1.048 -2.009
144 1HD LYS 16 2HD LYS 16 -2.987 1.929 -3.638
145 2HD LYS 16 1HD LYS 16 -1.579 1.845 -2.579
146 1HE LYS 16 2HE LYS 16 -2.405 -0.735 -3.800
147 2HE LYS 16 1HE LYS 16 -1.729 0.470 -4.914
148 1HZ LYS 16 1HZ LYS 16 -0.490 -0.142 -2.294
149 2HZ LYS 16 2HZ LYS 16 0.190 0.701 -3.602
150 3HZ LYS 16 3HZ LYS 16 -0.062 -0.976 -3.706
151 H CYS 17 H CYS 17 -1.013 -2.040 -0.214
152 HA CYS 17 HA CYS 17 0.924 -1.404 1.929
153 1HB CYS 17 2HB CYS 17 0.000 -3.689 0.565
154 2HB CYS 17 1HB CYS 17 1.677 -3.493 0.059
155 H ARG 18 H ARG 18 2.201 0.358 1.368
156 HA ARG 18 HA ARG 18 3.698 0.157 -1.220
157 1HB ARG 18 2HB ARG 18 1.899 1.770 -1.484
158 2HB ARG 18 1HB ARG 18 2.328 2.555 0.036
159 1HG ARG 18 2HG ARG 18 4.686 2.465 -1.553
160 2HG ARG 18 1HG ARG 18 3.383 3.057 -2.585
161 1HD ARG 18 2HD ARG 18 3.436 4.210 0.149
162 2HD ARG 18 1HD ARG 18 4.784 4.677 -0.907
163 HE ARG 18 HE ARG 18 2.593 4.901 -2.565
164 1HH1 ARG 18 1HH2 ARG 18 4.209 6.793 -0.372
165 2HH1 ARG 18 2HH2 ARG 18 2.921 7.917 -0.096
166 1HH2 ARG 18 1HH1 ARG 18 0.561 6.042 -1.810
167 2HH2 ARG 18 2HH1 ARG 18 0.855 7.492 -0.910
168 1HN NH2 19 1H ARG 18 5.798 -0.273 -0.401
169 2HN NH2 19 2H ARG 18 6.560 0.643 0.808
Start of MODEL 4
1 1H ARG 1 1HT ARG 1 -13.385 -4.776 -3.366
2 2H ARG 1 2HT ARG 1 -12.510 -5.972 -4.196
3 3H ARG 1 3HT ARG 1 -12.492 -4.366 -4.747
4 HA ARG 1 HA ARG 1 -10.479 -4.428 -3.662
5 1HB ARG 1 2HB ARG 1 -12.812 -3.411 -2.182
6 2HB ARG 1 1HB ARG 1 -11.391 -3.666 -1.169
7 1HG ARG 1 2HG ARG 1 -11.452 -1.379 -2.156
8 2HG ARG 1 1HG ARG 1 -10.032 -2.293 -2.664
9 1HD ARG 1 2HD ARG 1 -10.790 -2.519 -4.847
10 2HD ARG 1 1HD ARG 1 -12.498 -2.456 -4.366
11 HE ARG 1 HE ARG 1 -10.866 -0.006 -3.966
12 1HH1 ARG 1 1HH1 ARG 1 -13.910 -0.198 -3.865
13 2HH1 ARG 1 2HH1 ARG 1 -14.339 0.514 -5.385
14 1HH2 ARG 1 1HH2 ARG 1 -11.146 0.245 -6.712
15 2HH2 ARG 1 2HH2 ARG 1 -12.773 0.765 -6.997
16 H ARG 2 H ARG 2 -9.128 -5.312 -1.914
17 HA ARG 2 HA ARG 2 -10.276 -7.577 -0.362
18 1HB ARG 2 2HB ARG 2 -8.163 -7.694 -2.518
19 2HB ARG 2 1HB ARG 2 -8.251 -8.926 -1.260
20 1HG ARG 2 2HG ARG 2 -10.864 -8.805 -2.011
21 2HG ARG 2 1HG ARG 2 -10.071 -8.426 -3.541
22 1HD ARG 2 2HD ARG 2 -9.397 -10.577 -3.807
23 2HD ARG 2 1HD ARG 2 -8.751 -10.639 -2.155
24 HE ARG 2 HE ARG 2 -11.533 -11.299 -2.944
25 1HH1 ARG 2 1HH2 ARG 2 -9.727 -10.047 -0.359
26 2HH1 ARG 2 2HH2 ARG 2 -10.356 -11.147 0.822
27 1HH2 ARG 2 1HH1 ARG 2 -12.110 -13.043 -1.492
28 2HH2 ARG 2 2HH1 ARG 2 -11.706 -12.844 0.181
29 H TRP 3 H TRP 3 -8.856 -8.241 1.381
30 HA TRP 3 HA TRP 3 -7.399 -7.768 3.181
31 1HB TRP 3 2HB TRP 3 -5.714 -6.573 0.967
32 2HB TRP 3 1HB TRP 3 -5.147 -7.350 2.448
33 HD1 TRP 3 HD TRP 3 -5.915 -10.018 2.707
34 HE1 TRP 3 1HE TRP 3 -6.021 -11.836 0.883
35 HE3 TRP 3 3HE TRP 3 -5.993 -7.075 -1.464
36 HZ2 TRP 3 2HZ TRP 3 -6.135 -12.011 -1.957
37 HZ3 TRP 3 3HZ TRP 3 -6.098 -8.098 -3.721
38 HH2 TRP 3 HH TRP 3 -6.165 -10.564 -3.973
39 H CYS 4 H CYS 4 -7.852 -6.191 4.639
40 HA CYS 4 HA CYS 4 -8.546 -3.472 3.875
41 1HB CYS 4 2HB CYS 4 -9.193 -5.010 5.936
42 2HB CYS 4 1HB CYS 4 -7.750 -4.292 6.655
43 H PHE 5 H PHE 5 -7.253 -1.657 3.896
44 HA PHE 5 HA PHE 5 -4.373 -2.042 4.655
45 1HB PHE 5 2HB PHE 5 -5.610 -0.269 2.524
46 2HB PHE 5 1HB PHE 5 -3.885 -0.506 2.804
47 HD1 PHE 5 1HD PHE 5 -3.176 -3.107 2.911
48 HD2 PHE 5 2HD PHE 5 -6.586 -1.530 0.829
49 HE1 PHE 5 1HE PHE 5 -3.212 -5.110 1.450
50 HE2 PHE 5 2HE PHE 5 -6.622 -3.534 -0.631
51 HZ PHE 5 HZ PHE 5 -4.934 -5.324 -0.322
52 H ARG 6 H ARG 6 -3.339 0.255 5.028
53 HA ARG 6 HA ARG 6 -5.216 2.208 6.235
54 1HB ARG 6 2HB ARG 6 -4.838 0.586 8.008
55 2HB ARG 6 1HB ARG 6 -3.095 0.646 7.741
56 1HG ARG 6 2HG ARG 6 -3.542 3.267 8.151
57 2HG ARG 6 1HG ARG 6 -4.870 2.607 9.107
58 1HD ARG 6 2HD ARG 6 -2.564 1.031 9.690
59 2HD ARG 6 1HD ARG 6 -2.093 2.738 9.814
60 HE ARG 6 HE ARG 6 -4.036 1.381 11.524
61 1HH1 ARG 6 1HH2 ARG 6 -2.062 3.785 11.964
62 2HH1 ARG 6 2HH2 ARG 6 -3.206 5.024 12.359
63 1HH2 ARG 6 1HH1 ARG 6 -5.946 3.222 11.232
64 2HH2 ARG 6 2HH1 ARG 6 -5.405 4.705 11.944
65 H VAL 7 H VAL 7 -4.399 3.785 4.780
66 HA VAL 7 HA VAL 7 -1.581 4.642 5.312
67 HB VAL 7 HB VAL 7 -2.991 4.264 2.651
68 1HG1 VAL 7 1HG1 VAL 7 -0.128 5.080 2.823
69 2HG1 VAL 7 2HG1 VAL 7 -1.338 6.327 3.130
70 3HG1 VAL 7 3HG1 VAL 7 -1.334 5.460 1.593
71 1HG2 VAL 7 1HG2 VAL 7 -1.904 2.290 2.574
72 2HG2 VAL 7 2HG2 VAL 7 -1.403 2.548 4.245
73 3HG2 VAL 7 3HG2 VAL 7 -0.368 3.082 2.921
74 H CYS 8 H CYS 8 -2.101 6.541 6.419
75 HA CYS 8 HA CYS 8 -4.319 8.262 5.640
76 1HB CYS 8 2HB CYS 8 -2.040 8.311 7.597
77 2HB CYS 8 1HB CYS 8 -2.958 9.789 7.313
78 H TYR 9 H TYR 9 -4.269 9.771 4.041
79 HA TYR 9 HA TYR 9 -1.620 10.569 2.905
80 1HB TYR 9 2HB TYR 9 -3.407 9.442 1.518
81 2HB TYR 9 1HB TYR 9 -4.423 10.859 1.783
82 HD1 TYR 9 1HD TYR 9 -0.785 10.352 0.993
83 HD2 TYR 9 2HD TYR 9 -4.490 12.233 -0.090
84 HE1 TYR 9 1HE TYR 9 0.355 11.519 -0.874
85 HE2 TYR 9 2HE TYR 9 -3.351 13.402 -1.958
86 HH TYR 9 HH TYR 9 -0.872 14.131 -2.427
87 H ARG 10 H ARG 10 -2.724 11.776 5.369
88 HA ARG 10 HA ARG 10 -2.866 13.946 6.272
89 1HB ARG 10 2HB ARG 10 -1.098 14.181 4.381
90 2HB ARG 10 1HB ARG 10 -2.396 14.947 3.463
91 1HG ARG 10 2HG ARG 10 -0.975 16.583 4.733
92 2HG ARG 10 1HG ARG 10 -2.682 16.644 5.176
93 1HD ARG 10 2HD ARG 10 -1.057 14.728 6.752
94 2HD ARG 10 1HD ARG 10 -0.681 16.443 7.015
95 HE ARG 10 HE ARG 10 -3.158 15.129 7.772
96 1HH1 ARG 10 1HH2 ARG 10 -1.497 17.845 8.387
97 2HH1 ARG 10 2HH2 ARG 10 -2.819 18.958 8.272
98 1HH2 ARG 10 1HH1 ARG 10 -4.987 16.646 6.866
99 2HH2 ARG 10 2HH1 ARG 10 -4.796 18.279 7.411
100 H GLY 11 H GLY 11 -5.271 12.681 5.573
101 1HA GLY 11 2HA GLY 11 -7.232 14.573 5.708
102 2HA GLY 11 1HA GLY 11 -6.899 14.527 3.975
103 H PHE 12 H PHE 12 -6.457 11.865 3.497
104 HA PHE 12 HA PHE 12 -8.968 10.527 4.458
105 1HB PHE 12 2HB PHE 12 -7.968 11.241 1.778
106 2HB PHE 12 1HB PHE 12 -8.521 9.572 1.912
107 HD1 PHE 12 1HD PHE 12 -9.589 12.964 3.132
108 HD2 PHE 12 2HD PHE 12 -10.764 9.196 1.437
109 HE1 PHE 12 1HE PHE 12 -11.945 13.735 3.051
110 HE2 PHE 12 2HE PHE 12 -13.118 9.967 1.356
111 HZ PHE 12 HZ PHE 12 -13.709 12.237 2.163
112 H CYS 13 H CYS 13 -8.404 8.685 5.545
113 HA CYS 13 HA CYS 13 -5.807 7.362 4.907
114 1HB CYS 13 2HB CYS 13 -6.912 8.158 7.251
115 2HB CYS 13 1HB CYS 13 -7.524 6.505 7.178
116 H TYR 14 H TYR 14 -5.788 5.373 3.930
117 HA TYR 14 HA TYR 14 -8.087 4.238 2.705
118 1HB TYR 14 2HB TYR 14 -5.270 3.792 2.941
119 2HB TYR 14 1HB TYR 14 -6.088 2.251 3.200
120 HD1 TYR 14 1HD TYR 14 -8.268 2.008 1.540
121 HD2 TYR 14 2HD TYR 14 -4.678 4.225 0.735
122 HE1 TYR 14 1HE TYR 14 -8.699 1.821 -0.895
123 HE2 TYR 14 2HE TYR 14 -5.110 4.039 -1.700
124 HH TYR 14 HH TYR 14 -6.328 2.698 -3.252
125 H ARG 15 H ARG 15 -9.792 3.310 3.765
126 HA ARG 15 HA ARG 15 -9.210 1.448 6.029
127 1HB ARG 15 2HB ARG 15 -10.388 4.066 6.139
128 2HB ARG 15 1HB ARG 15 -11.617 2.877 6.569
129 1HG ARG 15 2HG ARG 15 -10.689 2.793 8.621
130 2HG ARG 15 1HG ARG 15 -9.296 2.007 7.877
131 1HD ARG 15 2HD ARG 15 -8.159 4.112 7.580
132 2HD ARG 15 1HD ARG 15 -9.614 5.022 8.030
133 HE ARG 15 HE ARG 15 -7.979 3.375 9.903
134 1HH1 ARG 15 1HH1 ARG 15 -9.082 6.419 9.619
135 2HH1 ARG 15 2HH1 ARG 15 -9.990 6.473 11.092
136 1HH2 ARG 15 1HH2 ARG 15 -9.789 3.057 11.650
137 2HH2 ARG 15 2HH2 ARG 15 -10.390 4.570 12.243
138 H LYS 16 H LYS 16 -9.668 -0.034 4.086
139 HA LYS 16 HA LYS 16 -12.604 -0.580 3.972
140 1HB LYS 16 2HB LYS 16 -10.650 -0.068 1.734
141 2HB LYS 16 1HB LYS 16 -12.067 -1.082 1.456
142 1HG LYS 16 2HG LYS 16 -13.014 0.950 0.950
143 2HG LYS 16 1HG LYS 16 -13.271 0.977 2.695
144 1HD LYS 16 2HD LYS 16 -11.815 2.681 2.987
145 2HD LYS 16 1HD LYS 16 -10.610 1.932 1.938
146 1HE LYS 16 2HE LYS 16 -11.133 3.745 0.599
147 2HE LYS 16 1HE LYS 16 -12.441 2.667 0.072
148 1HZ LYS 16 1HZ LYS 16 -13.511 4.626 0.758
149 2HZ LYS 16 2HZ LYS 16 -12.538 4.785 2.141
150 3HZ LYS 16 3HZ LYS 16 -13.707 3.555 2.058
151 H CYS 17 H CYS 17 -12.503 -2.510 5.108
152 HA CYS 17 HA CYS 17 -10.379 -4.481 4.537
153 1HB CYS 17 2HB CYS 17 -12.816 -4.736 6.318
154 2HB CYS 17 1HB CYS 17 -11.283 -5.595 6.462
155 H ARG 18 H ARG 18 -10.670 -6.270 3.238
156 HA ARG 18 HA ARG 18 -13.384 -7.236 2.584
157 1HB ARG 18 2HB ARG 18 -11.542 -5.758 0.715
158 2HB ARG 18 1HB ARG 18 -12.667 -6.957 0.077
159 1HG ARG 18 2HG ARG 18 -14.330 -5.571 1.714
160 2HG ARG 18 1HG ARG 18 -13.215 -4.288 1.244
161 1HD ARG 18 2HD ARG 18 -13.572 -5.162 -1.185
162 2HD ARG 18 1HD ARG 18 -15.014 -5.953 -0.517
163 HE ARG 18 HE ARG 18 -15.207 -3.406 0.497
164 1HH1 ARG 18 1HH1 ARG 18 -15.753 -5.006 -2.413
165 2HH1 ARG 18 2HH1 ARG 18 -16.041 -3.575 -3.345
166 1HH2 ARG 18 1HH2 ARG 18 -15.113 -1.411 -0.800
167 2HH2 ARG 18 2HH2 ARG 18 -15.679 -1.541 -2.432
168 1HN NH2 19 1H ARG 18 -13.293 -9.441 1.786
169 2HN NH2 19 2H ARG 18 -11.841 -10.313 1.673
Start of MODEL 5
1 1H ARG 1 1HT ARG 1 2.462 8.163 -1.844
2 2H ARG 1 2HT ARG 1 2.749 8.992 -3.298
3 3H ARG 1 3HT ARG 1 4.052 8.390 -2.388
4 HA ARG 1 HA ARG 1 2.112 6.896 -4.045
5 1HB ARG 1 2HB ARG 1 5.043 7.452 -3.826
6 2HB ARG 1 1HB ARG 1 4.552 5.897 -4.496
7 1HG ARG 1 2HG ARG 1 2.900 7.390 -5.925
8 2HG ARG 1 1HG ARG 1 4.076 8.656 -5.568
9 1HD ARG 1 2HD ARG 1 5.813 6.771 -6.314
10 2HD ARG 1 1HD ARG 1 4.406 6.183 -7.222
11 HE ARG 1 HE ARG 1 5.878 8.594 -7.821
12 1HH1 ARG 1 1HH1 ARG 1 3.808 6.791 -9.393
13 2HH1 ARG 1 2HH1 ARG 1 2.664 8.011 -9.838
14 1HH2 ARG 1 1HH2 ARG 1 3.934 10.376 -7.642
15 2HH2 ARG 1 2HH2 ARG 1 2.735 10.042 -8.847
16 H ARG 2 H ARG 2 1.062 5.852 -2.166
17 HA ARG 2 HA ARG 2 2.350 3.375 -1.396
18 1HB ARG 2 2HB ARG 2 3.596 5.001 -0.013
19 2HB ARG 2 1HB ARG 2 2.076 5.578 0.671
20 1HG ARG 2 2HG ARG 2 1.839 3.757 2.025
21 2HG ARG 2 1HG ARG 2 2.501 2.652 0.818
22 1HD ARG 2 2HD ARG 2 4.612 4.407 1.613
23 2HD ARG 2 1HD ARG 2 3.846 3.772 3.083
24 HE ARG 2 HE ARG 2 4.806 1.699 2.512
25 1HH1 ARG 2 1HH1 ARG 2 6.279 3.200 0.219
26 2HH1 ARG 2 2HH1 ARG 2 5.893 2.164 -1.114
27 1HH2 ARG 2 1HH2 ARG 2 3.360 0.499 0.569
28 2HH2 ARG 2 2HH2 ARG 2 4.240 0.635 -0.916
29 H TRP 3 H TRP 3 0.511 2.160 -1.598
30 HA TRP 3 HA TRP 3 -1.918 3.042 -0.071
31 1HB TRP 3 2HB TRP 3 -2.072 1.511 -2.661
32 2HB TRP 3 1HB TRP 3 -3.268 2.589 -1.940
33 HD1 TRP 3 HD TRP 3 -3.202 5.077 -2.624
34 HE1 TRP 3 1HE TRP 3 -1.656 6.500 -4.120
35 HE3 TRP 3 3HE TRP 3 0.540 1.712 -3.475
36 HZ2 TRP 3 2HZ TRP 3 0.842 6.239 -5.490
37 HZ3 TRP 3 3HZ TRP 3 2.488 2.322 -4.879
38 HH2 TRP 3 HH TRP 3 2.643 4.581 -5.889
39 H CYS 4 H CYS 4 -1.588 1.580 1.650
40 HA CYS 4 HA CYS 4 -2.208 -1.241 1.067
41 1HB CYS 4 2HB CYS 4 0.479 -0.194 1.876
42 2HB CYS 4 1HB CYS 4 -0.042 -1.745 2.532
43 H PHE 5 H PHE 5 -3.733 -1.655 2.599
44 HA PHE 5 HA PHE 5 -4.841 -1.683 4.686
45 1HB PHE 5 2HB PHE 5 -1.900 -1.470 5.282
46 2HB PHE 5 1HB PHE 5 -3.058 -1.426 6.611
47 HD1 PHE 5 1HD PHE 5 -3.829 -3.271 3.532
48 HD2 PHE 5 2HD PHE 5 -2.249 -3.572 7.515
49 HE1 PHE 5 1HE PHE 5 -4.046 -5.738 3.432
50 HE2 PHE 5 2HE PHE 5 -2.465 -6.040 7.414
51 HZ PHE 5 HZ PHE 5 -3.364 -7.124 5.372
52 H ARG 6 H ARG 6 -4.434 -0.179 6.996
53 HA ARG 6 HA ARG 6 -5.688 2.268 6.525
54 1HB ARG 6 2HB ARG 6 -5.461 1.302 8.727
55 2HB ARG 6 1HB ARG 6 -3.701 1.396 8.642
56 1HG ARG 6 2HG ARG 6 -3.661 3.645 9.094
57 2HG ARG 6 1HG ARG 6 -5.184 3.944 8.256
58 1HD ARG 6 2HD ARG 6 -6.282 2.621 10.209
59 2HD ARG 6 1HD ARG 6 -4.758 2.928 11.066
60 HE ARG 6 HE ARG 6 -6.740 4.956 10.327
61 1HH1 ARG 6 1HH2 ARG 6 -3.408 4.267 10.909
62 2HH1 ARG 6 2HH2 ARG 6 -3.047 5.857 11.491
63 1HH2 ARG 6 1HH1 ARG 6 -6.297 7.012 11.154
64 2HH2 ARG 6 2HH1 ARG 6 -4.680 7.409 11.630
65 H VAL 7 H VAL 7 -4.888 3.644 4.924
66 HA VAL 7 HA VAL 7 -2.049 4.568 5.240
67 HB VAL 7 HB VAL 7 -2.552 3.209 3.203
68 1HG1 VAL 7 1HG1 VAL 7 -4.235 5.507 2.228
69 2HG1 VAL 7 2HG1 VAL 7 -4.969 4.182 3.133
70 3HG1 VAL 7 3HG1 VAL 7 -4.146 3.859 1.608
71 1HG2 VAL 7 1HG2 VAL 7 -1.465 5.911 3.287
72 2HG2 VAL 7 2HG2 VAL 7 -2.089 5.515 1.686
73 3HG2 VAL 7 3HG2 VAL 7 -0.860 4.493 2.430
74 H CYS 8 H CYS 8 -2.450 6.434 6.467
75 HA CYS 8 HA CYS 8 -4.613 8.289 5.699
76 1HB CYS 8 2HB CYS 8 -2.546 8.075 7.880
77 2HB CYS 8 1HB CYS 8 -3.483 9.556 7.676
78 H TYR 9 H TYR 9 -4.239 9.664 4.022
79 HA TYR 9 HA TYR 9 -1.526 10.932 3.821
80 1HB TYR 9 2HB TYR 9 -2.923 9.207 2.022
81 2HB TYR 9 1HB TYR 9 -2.860 10.809 1.288
82 HD1 TYR 9 1HD TYR 9 -0.714 11.891 0.790
83 HD2 TYR 9 2HD TYR 9 -0.890 7.947 2.479
84 HE1 TYR 9 1HE TYR 9 1.674 11.543 0.221
85 HE2 TYR 9 2HE TYR 9 1.499 7.597 1.911
86 HH TYR 9 HH TYR 9 3.600 9.682 1.445
87 H ARG 10 H ARG 10 -2.088 12.938 4.714
88 HA ARG 10 HA ARG 10 -2.978 15.115 4.707
89 1HB ARG 10 2HB ARG 10 -4.183 14.330 2.045
90 2HB ARG 10 1HB ARG 10 -3.660 15.931 2.567
91 1HG ARG 10 2HG ARG 10 -1.310 14.853 2.812
92 2HG ARG 10 1HG ARG 10 -1.957 13.560 1.802
93 1HD ARG 10 2HD ARG 10 -2.725 15.511 0.226
94 2HD ARG 10 1HD ARG 10 -1.499 16.453 1.097
95 HE ARG 10 HE ARG 10 -0.693 13.788 0.070
96 1HH1 ARG 10 1HH1 ARG 10 -1.204 16.733 -1.358
97 2HH1 ARG 10 2HH1 ARG 10 0.440 17.014 -1.826
98 1HH2 ARG 10 1HH2 ARG 10 1.695 14.351 0.005
99 2HH2 ARG 10 2HH2 ARG 10 2.081 15.665 -1.054
100 H GLY 11 H GLY 11 -4.504 12.924 5.903
101 1HA GLY 11 2HA GLY 11 -6.600 13.039 7.060
102 2HA GLY 11 1HA GLY 11 -7.156 14.227 5.882
103 H PHE 12 H PHE 12 -5.867 12.067 3.900
104 HA PHE 12 HA PHE 12 -8.468 10.690 3.485
105 1HB PHE 12 2HB PHE 12 -5.951 11.137 1.865
106 2HB PHE 12 1HB PHE 12 -7.246 10.076 1.308
107 HD1 PHE 12 1HD PHE 12 -6.810 13.509 2.767
108 HD2 PHE 12 2HD PHE 12 -8.919 11.009 -0.017
109 HE1 PHE 12 1HE PHE 12 -8.079 15.481 1.958
110 HE2 PHE 12 2HE PHE 12 -10.188 12.980 -0.826
111 HZ PHE 12 HZ PHE 12 -9.767 15.216 0.162
112 H CYS 13 H CYS 13 -8.286 9.108 5.193
113 HA CYS 13 HA CYS 13 -6.004 7.220 5.105
114 1HB CYS 13 2HB CYS 13 -8.454 7.446 6.881
115 2HB CYS 13 1HB CYS 13 -7.097 6.354 7.159
116 H TYR 14 H TYR 14 -6.121 5.313 4.032
117 HA TYR 14 HA TYR 14 -8.832 4.213 3.367
118 1HB TYR 14 2HB TYR 14 -6.831 5.326 1.665
119 2HB TYR 14 1HB TYR 14 -6.885 3.590 1.352
120 HD1 TYR 14 1HD TYR 14 -8.070 3.377 -0.675
121 HD2 TYR 14 2HD TYR 14 -9.625 5.883 2.447
122 HE1 TYR 14 1HE TYR 14 -10.172 3.668 -1.957
123 HE2 TYR 14 2HE TYR 14 -11.728 6.176 1.164
124 HH TYR 14 HH TYR 14 -12.990 4.986 -0.588
125 H ARG 15 H ARG 15 -8.586 1.827 2.656
126 HA ARG 15 HA ARG 15 -6.323 0.482 4.084
127 1HB ARG 15 2HB ARG 15 -9.239 0.440 4.583
128 2HB ARG 15 1HB ARG 15 -8.472 -1.149 4.561
129 1HG ARG 15 2HG ARG 15 -7.809 -0.752 6.679
130 2HG ARG 15 1HG ARG 15 -6.708 0.460 6.021
131 1HD ARG 15 2HD ARG 15 -7.880 1.973 7.256
132 2HD ARG 15 1HD ARG 15 -9.183 1.763 6.069
133 HE ARG 15 HE ARG 15 -9.134 -0.342 8.091
134 1HH1 ARG 15 1HH1 ARG 15 -11.025 1.930 6.575
135 2HH1 ARG 15 2HH1 ARG 15 -12.012 2.308 7.946
136 1HH2 ARG 15 1HH2 ARG 15 -10.050 0.523 10.182
137 2HH2 ARG 15 2HH2 ARG 15 -11.461 1.511 9.988
138 H LYS 16 H LYS 16 -5.403 -0.069 2.014
139 HA LYS 16 HA LYS 16 -6.531 -2.466 0.787
140 1HB LYS 16 2HB LYS 16 -7.960 -0.820 -0.253
141 2HB LYS 16 1HB LYS 16 -6.583 0.222 -0.615
142 1HG LYS 16 2HG LYS 16 -5.802 -1.175 -2.320
143 2HG LYS 16 1HG LYS 16 -6.651 -2.586 -1.685
144 1HD LYS 16 2HD LYS 16 -8.783 -1.044 -2.181
145 2HD LYS 16 1HD LYS 16 -7.683 -0.355 -3.376
146 1HE LYS 16 2HE LYS 16 -8.789 -2.142 -4.519
147 2HE LYS 16 1HE LYS 16 -7.207 -2.812 -4.070
148 1HZ LYS 16 1HZ LYS 16 -8.328 -3.484 -1.915
149 2HZ LYS 16 2HZ LYS 16 -8.760 -4.373 -3.297
150 3HZ LYS 16 3HZ LYS 16 -9.804 -3.177 -2.693
151 H CYS 17 H CYS 17 -4.794 -3.642 0.080
152 HA CYS 17 HA CYS 17 -2.328 -2.166 -0.776
153 1HB CYS 17 2HB CYS 17 -2.268 -3.041 1.587
154 2HB CYS 17 1HB CYS 17 -2.468 -4.667 0.936
155 H ARG 18 H ARG 18 -1.119 -3.236 -2.420
156 HA ARG 18 HA ARG 18 -2.364 -5.713 -3.564
157 1HB ARG 18 2HB ARG 18 -3.124 -3.872 -4.890
158 2HB ARG 18 1HB ARG 18 -1.529 -3.119 -4.880
159 1HG ARG 18 2HG ARG 18 -0.660 -5.139 -6.122
160 2HG ARG 18 1HG ARG 18 -2.331 -5.681 -6.283
161 1HD ARG 18 2HD ARG 18 -2.883 -3.518 -7.421
162 2HD ARG 18 1HD ARG 18 -1.162 -3.091 -7.361
163 HE ARG 18 HE ARG 18 -0.838 -4.589 -9.150
164 1HH1 ARG 18 1HH2 ARG 18 -3.959 -4.994 -7.843
165 2HH1 ARG 18 2HH2 ARG 18 -4.239 -6.530 -8.593
166 1HH2 ARG 18 1HH1 ARG 18 -1.033 -6.777 -9.894
167 2HH2 ARG 18 2HH1 ARG 18 -2.582 -7.540 -9.753
168 1HN NH2 19 1H ARG 18 -0.772 -7.002 -4.885
169 2HN NH2 19 2H ARG 18 0.891 -6.860 -4.575
Start of MODEL 6
1 1H ARG 1 1HT ARG 1 -0.396 -3.472 -3.017
2 2H ARG 1 2HT ARG 1 0.477 -2.838 -1.704
3 3H ARG 1 3HT ARG 1 -0.222 -1.794 -2.848
4 HA ARG 1 HA ARG 1 -1.374 -2.322 -0.518
5 1HB ARG 1 2HB ARG 1 -2.095 -1.425 -3.219
6 2HB ARG 1 1HB ARG 1 -3.484 -1.982 -2.285
7 1HG ARG 1 2HG ARG 1 -3.423 0.184 -1.520
8 2HG ARG 1 1HG ARG 1 -2.269 -0.518 -0.385
9 1HD ARG 1 2HD ARG 1 -0.392 0.185 -1.787
10 2HD ARG 1 1HD ARG 1 -1.512 0.799 -3.019
11 HE ARG 1 HE ARG 1 -2.159 1.939 -0.461
12 1HH1 ARG 1 1HH1 ARG 1 -1.229 2.815 -3.475
13 2HH1 ARG 1 2HH1 ARG 1 -0.188 4.119 -3.011
14 1HH2 ARG 1 1HH2 ARG 1 -0.215 3.292 0.357
15 2HH2 ARG 1 2HH2 ARG 1 0.387 4.388 -0.841
16 H ARG 2 H ARG 2 -1.241 -4.601 0.075
17 HA ARG 2 HA ARG 2 -3.435 -6.237 -1.136
18 1HB ARG 2 2HB ARG 2 -0.505 -6.771 -0.888
19 2HB ARG 2 1HB ARG 2 -1.601 -8.132 -0.649
20 1HG ARG 2 2HG ARG 2 -2.711 -7.501 -2.833
21 2HG ARG 2 1HG ARG 2 -1.404 -6.344 -3.086
22 1HD ARG 2 2HD ARG 2 -0.893 -9.285 -2.546
23 2HD ARG 2 1HD ARG 2 -1.028 -8.611 -4.182
24 HE ARG 2 HE ARG 2 1.019 -7.738 -2.178
25 1HH1 ARG 2 1HH1 ARG 2 -0.118 -6.279 -4.810
26 2HH1 ARG 2 2HH1 ARG 2 1.274 -6.477 -5.822
27 1HH2 ARG 2 1HH2 ARG 2 2.800 -8.778 -3.724
28 2HH2 ARG 2 2HH2 ARG 2 2.926 -7.892 -5.207
29 H TRP 3 H TRP 3 -4.789 -6.866 0.495
30 HA TRP 3 HA TRP 3 -5.537 -7.497 2.648
31 1HB TRP 3 2HB TRP 3 -2.625 -8.175 3.121
32 2HB TRP 3 1HB TRP 3 -4.043 -8.964 3.808
33 HD1 TRP 3 HD TRP 3 -1.592 -10.050 1.700
34 HE1 TRP 3 1HE TRP 3 -2.409 -11.486 -0.278
35 HE3 TRP 3 3HE TRP 3 -6.536 -8.773 1.666
36 HZ2 TRP 3 2HZ TRP 3 -4.838 -12.024 -1.688
37 HZ3 TRP 3 3HZ TRP 3 -8.078 -9.760 -0.004
38 HH2 TRP 3 HH TRP 3 -7.236 -11.383 -1.679
39 H CYS 4 H CYS 4 -6.079 -5.808 3.974
40 HA CYS 4 HA CYS 4 -5.827 -3.984 5.491
41 1HB CYS 4 2HB CYS 4 -3.161 -5.407 5.808
42 2HB CYS 4 1HB CYS 4 -3.806 -4.208 6.930
43 H PHE 5 H PHE 5 -5.655 -2.009 4.506
44 HA PHE 5 HA PHE 5 -3.304 -1.387 2.807
45 1HB PHE 5 2HB PHE 5 -5.823 0.171 3.476
46 2HB PHE 5 1HB PHE 5 -4.685 0.549 2.183
47 HD1 PHE 5 1HD PHE 5 -7.566 -1.394 3.137
48 HD2 PHE 5 2HD PHE 5 -4.301 -1.197 0.353
49 HE1 PHE 5 1HE PHE 5 -8.762 -2.953 1.624
50 HE2 PHE 5 2HE PHE 5 -5.497 -2.756 -1.160
51 HZ PHE 5 HZ PHE 5 -7.728 -3.634 -0.525
52 H ARG 6 H ARG 6 -5.093 0.571 5.214
53 HA ARG 6 HA ARG 6 -4.284 1.983 6.931
54 1HB ARG 6 2HB ARG 6 -3.045 -0.377 7.192
55 2HB ARG 6 1HB ARG 6 -1.635 0.603 6.787
56 1HG ARG 6 2HG ARG 6 -2.450 2.234 8.597
57 2HG ARG 6 1HG ARG 6 -3.529 0.938 9.117
58 1HD ARG 6 2HD ARG 6 -0.991 -0.271 8.782
59 2HD ARG 6 1HD ARG 6 -0.708 1.243 9.663
60 HE ARG 6 HE ARG 6 -2.863 -0.648 10.519
61 1HH1 ARG 6 1HH2 ARG 6 -1.763 2.160 11.607
62 2HH1 ARG 6 2HH2 ARG 6 -1.075 1.601 13.094
63 1HH2 ARG 6 1HH1 ARG 6 -1.256 -1.751 12.226
64 2HH2 ARG 6 2HH1 ARG 6 -0.788 -0.613 13.446
65 H VAL 7 H VAL 7 -4.261 3.724 5.254
66 HA VAL 7 HA VAL 7 -1.504 4.763 4.860
67 HB VAL 7 HB VAL 7 -3.533 4.336 2.641
68 1HG1 VAL 7 1HG1 VAL 7 -1.641 6.299 2.778
69 2HG1 VAL 7 2HG1 VAL 7 -2.190 5.568 1.268
70 3HG1 VAL 7 3HG1 VAL 7 -0.711 4.994 2.040
71 1HG2 VAL 7 1HG2 VAL 7 -2.519 2.226 3.307
72 2HG2 VAL 7 2HG2 VAL 7 -0.913 2.955 3.300
73 3HG2 VAL 7 3HG2 VAL 7 -1.792 2.742 1.787
74 H CYS 8 H CYS 8 -1.768 6.714 5.911
75 HA CYS 8 HA CYS 8 -4.302 8.237 5.533
76 1HB CYS 8 2HB CYS 8 -2.031 8.174 7.495
77 2HB CYS 8 1HB CYS 8 -2.989 9.648 7.358
78 H TYR 9 H TYR 9 -4.248 9.604 3.794
79 HA TYR 9 HA TYR 9 -1.669 10.775 2.902
80 1HB TYR 9 2HB TYR 9 -4.274 10.058 1.793
81 2HB TYR 9 1HB TYR 9 -3.767 11.670 1.285
82 HD1 TYR 9 1HD TYR 9 -2.156 8.318 1.847
83 HD2 TYR 9 2HD TYR 9 -2.556 11.760 -0.692
84 HE1 TYR 9 1HE TYR 9 -0.566 7.312 0.232
85 HE2 TYR 9 2HE TYR 9 -0.967 10.753 -2.307
86 HH TYR 9 HH TYR 9 -0.203 7.645 -2.439
87 H ARG 10 H ARG 10 -2.394 11.830 5.375
88 HA ARG 10 HA ARG 10 -2.944 13.841 6.480
89 1HB ARG 10 2HB ARG 10 -1.737 14.486 3.813
90 2HB ARG 10 1HB ARG 10 -2.325 15.815 4.812
91 1HG ARG 10 2HG ARG 10 -0.485 13.683 5.908
92 2HG ARG 10 1HG ARG 10 0.132 15.146 5.139
93 1HD ARG 10 2HD ARG 10 -1.845 15.200 7.443
94 2HD ARG 10 1HD ARG 10 -0.088 15.333 7.656
95 HE ARG 10 HE ARG 10 -1.828 17.374 6.458
96 1HH1 ARG 10 1HH1 ARG 10 0.936 17.132 8.138
97 2HH1 ARG 10 2HH1 ARG 10 1.921 18.115 7.107
98 1HH2 ARG 10 1HH2 ARG 10 -0.389 18.185 4.522
99 2HH2 ARG 10 2HH2 ARG 10 1.171 18.712 5.060
100 H GLY 11 H GLY 11 -5.254 12.619 5.491
101 1HA GLY 11 2HA GLY 11 -7.224 14.544 5.550
102 2HA GLY 11 1HA GLY 11 -6.781 14.481 3.843
103 H PHE 12 H PHE 12 -6.279 11.774 3.499
104 HA PHE 12 HA PHE 12 -8.907 10.507 4.207
105 1HB PHE 12 2HB PHE 12 -8.483 11.394 1.812
106 2HB PHE 12 1HB PHE 12 -7.347 10.054 1.658
107 HD1 PHE 12 1HD PHE 12 -10.649 10.292 3.412
108 HD2 PHE 12 2HD PHE 12 -8.353 8.438 0.291
109 HE1 PHE 12 1HE PHE 12 -12.532 8.746 2.945
110 HE2 PHE 12 2HE PHE 12 -10.236 6.893 -0.177
111 HZ PHE 12 HZ PHE 12 -12.325 7.047 1.149
112 H CYS 13 H CYS 13 -8.616 8.631 5.339
113 HA CYS 13 HA CYS 13 -5.969 7.234 5.118
114 1HB CYS 13 2HB CYS 13 -8.035 7.466 7.326
115 2HB CYS 13 1HB CYS 13 -6.638 6.393 7.416
116 H TYR 14 H TYR 14 -5.962 5.017 4.764
117 HA TYR 14 HA TYR 14 -8.593 3.814 3.988
118 1HB TYR 14 2HB TYR 14 -6.170 4.168 2.638
119 2HB TYR 14 1HB TYR 14 -6.171 2.463 3.090
120 HD1 TYR 14 1HD TYR 14 -8.075 0.993 2.422
121 HD2 TYR 14 2HD TYR 14 -7.687 5.026 0.994
122 HE1 TYR 14 1HE TYR 14 -9.700 0.506 0.611
123 HE2 TYR 14 2HE TYR 14 -9.312 4.539 -0.818
124 HH TYR 14 HH TYR 14 -10.020 2.001 -2.021
125 H ARG 15 H ARG 15 -9.120 1.757 4.806
126 HA ARG 15 HA ARG 15 -7.199 0.197 6.373
127 1HB ARG 15 2HB ARG 15 -8.248 0.551 8.506
128 2HB ARG 15 1HB ARG 15 -7.993 2.151 7.810
129 1HG ARG 15 2HG ARG 15 -10.590 0.621 7.524
130 2HG ARG 15 1HG ARG 15 -10.291 1.779 8.818
131 1HD ARG 15 2HD ARG 15 -11.044 3.366 7.373
132 2HD ARG 15 1HD ARG 15 -9.514 3.146 6.502
133 HE ARG 15 HE ARG 15 -11.247 1.044 5.716
134 1HH1 ARG 15 1HH1 ARG 15 -12.639 3.957 5.997
135 2HH1 ARG 15 2HH1 ARG 15 -12.778 4.313 4.307
136 1HH2 ARG 15 1HH2 ARG 15 -10.707 1.711 3.320
137 2HH2 ARG 15 2HH2 ARG 15 -11.683 3.042 2.791
138 H LYS 16 H LYS 16 -7.862 -1.943 6.398
139 HA LYS 16 HA LYS 16 -10.503 -2.942 6.515
140 1HB LYS 16 2HB LYS 16 -9.831 -1.635 4.055
141 2HB LYS 16 1HB LYS 16 -10.030 -3.356 3.722
142 1HG LYS 16 2HG LYS 16 -12.162 -3.014 5.310
143 2HG LYS 16 1HG LYS 16 -12.032 -1.368 4.689
144 1HD LYS 16 2HD LYS 16 -11.687 -3.345 2.576
145 2HD LYS 16 1HD LYS 16 -13.241 -3.524 3.391
146 1HE LYS 16 2HE LYS 16 -12.846 -0.733 3.045
147 2HE LYS 16 1HE LYS 16 -12.451 -1.503 1.495
148 1HZ LYS 16 1HZ LYS 16 -14.906 -1.030 1.988
149 2HZ LYS 16 2HZ LYS 16 -14.811 -2.343 3.062
150 3HZ LYS 16 3HZ LYS 16 -14.500 -2.570 1.407
151 H CYS 17 H CYS 17 -10.212 -5.082 6.994
152 HA CYS 17 HA CYS 17 -7.982 -6.566 5.658
153 1HB CYS 17 2HB CYS 17 -8.622 -6.338 8.614
154 2HB CYS 17 1HB CYS 17 -7.498 -7.523 7.951
155 H ARG 18 H ARG 18 -8.454 -8.773 5.313
156 HA ARG 18 HA ARG 18 -10.911 -9.938 6.492
157 1HB ARG 18 2HB ARG 18 -11.804 -10.408 4.211
158 2HB ARG 18 1HB ARG 18 -11.668 -8.677 4.523
159 1HG ARG 18 2HG ARG 18 -9.183 -9.700 3.448
160 2HG ARG 18 1HG ARG 18 -10.526 -10.102 2.378
161 1HD ARG 18 2HD ARG 18 -11.194 -7.550 2.890
162 2HD ARG 18 1HD ARG 18 -9.437 -7.423 3.115
163 HE ARG 18 HE ARG 18 -9.604 -8.885 0.811
164 1HH1 ARG 18 1HH1 ARG 18 -10.424 -5.749 1.881
165 2HH1 ARG 18 2HH1 ARG 18 -10.888 -5.173 0.315
166 1HH2 ARG 18 1HH2 ARG 18 -10.506 -8.259 -1.223
167 2HH2 ARG 18 2HH2 ARG 18 -10.935 -6.596 -1.443
168 1HN NH2 19 1H ARG 18 -8.390 -10.902 7.077
169 2HN NH2 19 2H ARG 18 -8.064 -12.331 6.221
Start of MODEL 7
1 1H ARG 1 1HT ARG 1 -9.553 -10.655 7.901
2 2H ARG 1 2HT ARG 1 -9.993 -10.277 9.498
3 3H ARG 1 3HT ARG 1 -8.756 -11.402 9.199
4 HA ARG 1 HA ARG 1 -8.502 -8.619 8.233
5 1HB ARG 1 2HB ARG 1 -9.177 -8.887 10.718
6 2HB ARG 1 1HB ARG 1 -7.584 -9.614 10.934
7 1HG ARG 1 2HG ARG 1 -6.546 -7.574 9.963
8 2HG ARG 1 1HG ARG 1 -8.147 -6.843 9.836
9 1HD ARG 1 2HD ARG 1 -8.309 -7.420 12.404
10 2HD ARG 1 1HD ARG 1 -6.537 -7.444 12.303
11 HE ARG 1 HE ARG 1 -6.837 -5.140 11.138
12 1HH1 ARG 1 1HH1 ARG 1 -6.842 -4.867 14.075
13 2HH1 ARG 1 2HH1 ARG 1 -8.328 -4.035 14.386
14 1HH2 ARG 1 1HH2 ARG 1 -9.689 -4.748 11.277
15 2HH2 ARG 1 2HH2 ARG 1 -9.939 -3.967 12.802
16 H ARG 2 H ARG 2 -6.823 -8.879 6.802
17 HA ARG 2 HA ARG 2 -4.257 -9.894 7.681
18 1HB ARG 2 2HB ARG 2 -4.236 -11.919 6.292
19 2HB ARG 2 1HB ARG 2 -5.589 -11.989 7.421
20 1HG ARG 2 2HG ARG 2 -5.907 -10.890 4.627
21 2HG ARG 2 1HG ARG 2 -6.091 -12.609 4.976
22 1HD ARG 2 2HD ARG 2 -7.661 -11.569 6.937
23 2HD ARG 2 1HD ARG 2 -7.885 -10.349 5.667
24 HE ARG 2 HE ARG 2 -8.338 -12.369 4.128
25 1HH1 ARG 2 1HH1 ARG 2 -10.491 -11.563 6.240
26 2HH1 ARG 2 2HH1 ARG 2 -11.003 -13.136 6.756
27 1HH2 ARG 2 1HH2 ARG 2 -8.292 -14.771 5.342
28 2HH2 ARG 2 2HH2 ARG 2 -9.758 -14.952 6.247
29 H TRP 3 H TRP 3 -2.638 -9.253 6.215
30 HA TRP 3 HA TRP 3 -1.709 -8.060 4.396
31 1HB TRP 3 2HB TRP 3 -4.170 -8.993 2.909
32 2HB TRP 3 1HB TRP 3 -2.543 -8.756 2.274
33 HD1 TRP 3 HD TRP 3 -4.252 -11.531 2.193
34 HE1 TRP 3 1HE TRP 3 -3.152 -13.648 3.167
35 HE3 TRP 3 3HE TRP 3 -0.712 -9.392 5.197
36 HZ2 TRP 3 2HZ TRP 3 -1.052 -14.344 4.975
37 HZ3 TRP 3 3HZ TRP 3 0.823 -10.807 6.530
38 HH2 TRP 3 HH TRP 3 0.657 -13.278 6.425
39 H CYS 4 H CYS 4 -2.149 -5.975 5.404
40 HA CYS 4 HA CYS 4 -3.675 -4.157 3.802
41 1HB CYS 4 2HB CYS 4 -5.190 -5.773 5.536
42 2HB CYS 4 1HB CYS 4 -5.105 -4.203 6.333
43 H PHE 5 H PHE 5 -2.900 -2.126 4.259
44 HA PHE 5 HA PHE 5 -1.754 -1.622 6.982
45 1HB PHE 5 2HB PHE 5 -0.496 -0.760 4.366
46 2HB PHE 5 1HB PHE 5 0.239 -0.756 5.970
47 HD1 PHE 5 1HD PHE 5 -0.105 -3.243 7.165
48 HD2 PHE 5 2HD PHE 5 0.320 -2.427 2.969
49 HE1 PHE 5 1HE PHE 5 0.712 -5.556 6.797
50 HE2 PHE 5 2HE PHE 5 1.138 -4.739 2.602
51 HZ PHE 5 HZ PHE 5 1.334 -6.304 4.516
52 H ARG 6 H ARG 6 -3.037 0.020 7.757
53 HA ARG 6 HA ARG 6 -4.637 1.803 6.267
54 1HB ARG 6 2HB ARG 6 -4.661 1.302 8.740
55 2HB ARG 6 1HB ARG 6 -3.236 2.328 8.907
56 1HG ARG 6 2HG ARG 6 -4.520 4.174 8.924
57 2HG ARG 6 1HG ARG 6 -5.237 3.723 7.377
58 1HD ARG 6 2HD ARG 6 -6.503 1.972 9.065
59 2HD ARG 6 1HD ARG 6 -6.326 3.402 10.103
60 HE ARG 6 HE ARG 6 -7.139 4.376 7.599
61 1HH1 ARG 6 1HH2 ARG 6 -8.340 3.104 10.497
62 2HH1 ARG 6 2HH2 ARG 6 -9.988 3.024 9.969
63 1HH2 ARG 6 1HH1 ARG 6 -9.259 3.897 6.693
64 2HH2 ARG 6 2HH1 ARG 6 -10.508 3.473 7.816
65 H VAL 7 H VAL 7 -4.205 3.730 5.208
66 HA VAL 7 HA VAL 7 -1.467 4.910 5.499
67 HB VAL 7 HB VAL 7 -2.991 4.042 3.039
68 1HG1 VAL 7 1HG1 VAL 7 -2.380 6.166 2.301
69 2HG1 VAL 7 2HG1 VAL 7 -0.941 5.235 1.882
70 3HG1 VAL 7 3HG1 VAL 7 -0.955 6.227 3.339
71 1HG2 VAL 7 1HG2 VAL 7 -0.178 3.622 4.091
72 2HG2 VAL 7 2HG2 VAL 7 -0.729 3.073 2.508
73 3HG2 VAL 7 3HG2 VAL 7 -1.455 2.412 3.973
74 H CYS 8 H CYS 8 -2.039 6.839 6.491
75 HA CYS 8 HA CYS 8 -4.476 8.294 5.716
76 1HB CYS 8 2HB CYS 8 -2.272 8.531 7.731
77 2HB CYS 8 1HB CYS 8 -3.224 9.971 7.372
78 H TYR 9 H TYR 9 -4.462 9.529 3.887
79 HA TYR 9 HA TYR 9 -1.911 10.568 2.803
80 1HB TYR 9 2HB TYR 9 -4.421 9.665 1.828
81 2HB TYR 9 1HB TYR 9 -4.288 11.367 1.381
82 HD1 TYR 9 1HD TYR 9 -1.302 11.586 1.146
83 HD2 TYR 9 2HD TYR 9 -4.030 8.578 -0.252
84 HE1 TYR 9 1HE TYR 9 0.285 10.987 -0.663
85 HE2 TYR 9 2HE TYR 9 -2.444 7.980 -2.063
86 HH TYR 9 HH TYR 9 0.743 8.875 -2.082
87 H ARG 10 H ARG 10 -2.372 11.850 5.188
88 HA ARG 10 HA ARG 10 -2.696 13.974 6.155
89 1HB ARG 10 2HB ARG 10 -1.952 14.349 3.279
90 2HB ARG 10 1HB ARG 10 -2.418 15.776 4.205
91 1HG ARG 10 2HG ARG 10 -0.359 13.801 5.209
92 2HG ARG 10 1HG ARG 10 0.075 15.197 4.221
93 1HD ARG 10 2HD ARG 10 -1.415 15.325 6.871
94 2HD ARG 10 1HD ARG 10 0.290 15.752 6.621
95 HE ARG 10 HE ARG 10 -0.616 17.439 4.899
96 1HH1 ARG 10 1HH1 ARG 10 -1.675 16.975 8.058
97 2HH1 ARG 10 2HH1 ARG 10 -3.026 18.053 7.947
98 1HH2 ARG 10 1HH2 ARG 10 -2.698 18.536 4.529
99 2HH2 ARG 10 2HH2 ARG 10 -3.606 18.937 5.948
100 H GLY 11 H GLY 11 -5.124 12.653 5.661
101 1HA GLY 11 2HA GLY 11 -7.159 14.344 6.029
102 2HA GLY 11 1HA GLY 11 -6.893 14.603 4.303
103 H PHE 12 H PHE 12 -6.180 11.910 3.638
104 HA PHE 12 HA PHE 12 -8.785 10.505 4.145
105 1HB PHE 12 2HB PHE 12 -7.772 11.571 1.788
106 2HB PHE 12 1HB PHE 12 -7.351 9.862 1.668
107 HD1 PHE 12 1HD PHE 12 -9.648 8.773 3.348
108 HD2 PHE 12 2HD PHE 12 -9.535 11.651 0.162
109 HE1 PHE 12 1HE PHE 12 -11.999 8.232 2.776
110 HE2 PHE 12 2HE PHE 12 -11.887 11.109 -0.410
111 HZ PHE 12 HZ PHE 12 -13.119 9.400 0.896
112 H CYS 13 H CYS 13 -8.486 8.560 5.158
113 HA CYS 13 HA CYS 13 -5.802 7.243 4.921
114 1HB CYS 13 2HB CYS 13 -7.079 8.201 7.135
115 2HB CYS 13 1HB CYS 13 -7.649 6.532 7.125
116 H TYR 14 H TYR 14 -5.760 5.168 4.148
117 HA TYR 14 HA TYR 14 -8.266 3.564 4.098
118 1HB TYR 14 2HB TYR 14 -8.172 3.304 1.707
119 2HB TYR 14 1HB TYR 14 -8.037 5.032 2.029
120 HD1 TYR 14 1HD TYR 14 -6.245 2.005 0.944
121 HD2 TYR 14 2HD TYR 14 -5.917 6.215 1.735
122 HE1 TYR 14 1HE TYR 14 -4.068 2.059 -0.241
123 HE2 TYR 14 2HE TYR 14 -3.738 6.267 0.550
124 HH TYR 14 HH TYR 14 -2.189 3.306 -0.577
125 H ARG 15 H ARG 15 -7.412 1.448 2.580
126 HA ARG 15 HA ARG 15 -4.686 0.639 3.276
127 1HB ARG 15 2HB ARG 15 -5.311 -1.011 4.909
128 2HB ARG 15 1HB ARG 15 -6.118 0.484 5.382
129 1HG ARG 15 2HG ARG 15 -7.447 -1.636 3.677
130 2HG ARG 15 1HG ARG 15 -7.582 -1.589 5.435
131 1HD ARG 15 2HD ARG 15 -9.351 -0.194 5.108
132 2HD ARG 15 1HD ARG 15 -8.154 1.035 4.653
133 HE ARG 15 HE ARG 15 -8.441 -0.474 2.351
134 1HH1 ARG 15 1HH1 ARG 15 -11.214 -0.557 3.964
135 2HH1 ARG 15 2HH1 ARG 15 -12.106 0.560 2.986
136 1HH2 ARG 15 1HH2 ARG 15 -9.307 1.727 1.302
137 2HH2 ARG 15 2HH2 ARG 15 -11.026 1.854 1.478
138 H LYS 16 H LYS 16 -4.054 -1.080 1.961
139 HA LYS 16 HA LYS 16 -5.962 -1.940 -0.123
140 1HB LYS 16 2HB LYS 16 -3.685 -1.211 -0.682
141 2HB LYS 16 1HB LYS 16 -3.011 -2.452 0.376
142 1HG LYS 16 2HG LYS 16 -4.244 -4.165 -1.048
143 2HG LYS 16 1HG LYS 16 -4.569 -2.857 -2.186
144 1HD LYS 16 2HD LYS 16 -2.098 -2.421 -2.295
145 2HD LYS 16 1HD LYS 16 -1.847 -3.857 -1.301
146 1HE LYS 16 2HE LYS 16 -2.721 -5.306 -2.991
147 2HE LYS 16 1HE LYS 16 -3.390 -3.943 -3.912
148 1HZ LYS 16 1HZ LYS 16 -1.052 -4.943 -4.514
149 2HZ LYS 16 2HZ LYS 16 -0.531 -3.922 -3.258
150 3HZ LYS 16 3HZ LYS 16 -1.336 -3.273 -4.607
151 H CYS 17 H CYS 17 -7.172 -3.759 0.199
152 HA CYS 17 HA CYS 17 -5.984 -5.979 1.836
153 1HB CYS 17 2HB CYS 17 -8.447 -4.430 2.054
154 2HB CYS 17 1HB CYS 17 -8.773 -6.161 1.961
155 H ARG 18 H ARG 18 -6.381 -8.098 1.043
156 HA ARG 18 HA ARG 18 -8.138 -8.578 -1.245
157 1HB ARG 18 2HB ARG 18 -5.496 -7.612 -1.648
158 2HB ARG 18 1HB ARG 18 -5.493 -9.313 -2.116
159 1HG ARG 18 2HG ARG 18 -6.753 -8.915 -3.951
160 2HG ARG 18 1HG ARG 18 -7.877 -7.895 -3.051
161 1HD ARG 18 2HD ARG 18 -5.179 -6.732 -3.527
162 2HD ARG 18 1HD ARG 18 -6.228 -6.893 -4.949
163 HE ARG 18 HE ARG 18 -7.066 -5.490 -2.436
164 1HH1 ARG 18 1HH1 ARG 18 -9.135 -6.408 -4.494
165 2HH1 ARG 18 2HH1 ARG 18 -9.357 -4.953 -5.409
166 1HH2 ARG 18 1HH2 ARG 18 -6.487 -3.435 -4.192
167 2HH2 ARG 18 2HH2 ARG 18 -7.859 -3.270 -5.237
168 1HN NH2 19 1H ARG 18 -7.590 -10.985 -2.086
169 2HN NH2 19 2H ARG 18 -7.187 -12.097 -0.869
Start of MODEL 8
1 1H ARG 1 1HT ARG 1 -9.230 1.785 20.091
2 2H ARG 1 2HT ARG 1 -9.942 1.027 18.747
3 3H ARG 1 3HT ARG 1 -10.063 2.711 18.941
4 HA ARG 1 HA ARG 1 -8.399 2.433 17.318
5 1HB ARG 1 2HB ARG 1 -8.057 3.675 19.719
6 2HB ARG 1 1HB ARG 1 -6.658 2.601 19.714
7 1HG ARG 1 2HG ARG 1 -6.536 3.534 17.173
8 2HG ARG 1 1HG ARG 1 -7.261 4.928 17.975
9 1HD ARG 1 2HD ARG 1 -5.037 5.422 18.384
10 2HD ARG 1 1HD ARG 1 -5.311 4.344 19.768
11 HE ARG 1 HE ARG 1 -4.400 2.489 18.391
12 1HH1 ARG 1 1HH1 ARG 1 -2.850 5.377 18.335
13 2HH1 ARG 1 2HH1 ARG 1 -2.039 5.156 16.821
14 1HH2 ARG 1 1HH2 ARG 1 -3.859 2.333 15.956
15 2HH2 ARG 1 2HH2 ARG 1 -2.610 3.433 15.474
16 H ARG 2 H ARG 2 -8.553 0.080 16.742
17 HA ARG 2 HA ARG 2 -6.052 -1.323 17.467
18 1HB ARG 2 2HB ARG 2 -8.832 -2.098 18.283
19 2HB ARG 2 1HB ARG 2 -7.677 -3.378 17.908
20 1HG ARG 2 2HG ARG 2 -6.208 -1.633 19.493
21 2HG ARG 2 1HG ARG 2 -7.804 -1.625 20.244
22 1HD ARG 2 2HD ARG 2 -7.603 -4.263 19.889
23 2HD ARG 2 1HD ARG 2 -5.868 -3.888 19.947
24 HE ARG 2 HE ARG 2 -6.778 -2.448 22.062
25 1HH1 ARG 2 1HH2 ARG 2 -9.215 -4.203 22.141
26 2HH1 ARG 2 2HH2 ARG 2 -8.720 -5.456 23.229
27 1HH2 ARG 2 1HH1 ARG 2 -5.345 -4.699 22.986
28 2HH2 ARG 2 2HH1 ARG 2 -6.529 -5.738 23.707
29 H TRP 3 H TRP 3 -5.300 -2.377 15.665
30 HA TRP 3 HA TRP 3 -5.250 -2.954 13.354
31 1HB TRP 3 2HB TRP 3 -7.753 -4.420 14.224
32 2HB TRP 3 1HB TRP 3 -6.538 -4.956 13.061
33 HD1 TRP 3 HD TRP 3 -3.933 -5.080 14.231
34 HE1 TRP 3 1HE TRP 3 -3.318 -6.168 16.486
35 HE3 TRP 3 3HE TRP 3 -8.523 -5.132 16.469
36 HZ2 TRP 3 2HZ TRP 3 -4.601 -6.950 18.913
37 HZ3 TRP 3 3HZ TRP 3 -8.798 -6.056 18.752
38 HH2 TRP 3 HH TRP 3 -6.844 -6.966 19.978
39 H CYS 4 H CYS 4 -5.848 -0.807 12.504
40 HA CYS 4 HA CYS 4 -8.285 -0.886 10.892
41 1HB CYS 4 2HB CYS 4 -9.077 -0.251 13.182
42 2HB CYS 4 1HB CYS 4 -8.018 1.158 13.121
43 H PHE 5 H PHE 5 -8.320 0.805 9.338
44 HA PHE 5 HA PHE 5 -7.400 2.514 7.972
45 1HB PHE 5 2HB PHE 5 -5.348 2.940 10.147
46 2HB PHE 5 1HB PHE 5 -6.036 4.127 9.043
47 HD1 PHE 5 1HD PHE 5 -8.753 4.206 9.172
48 HD2 PHE 5 2HD PHE 5 -6.113 3.013 12.343
49 HE1 PHE 5 1HE PHE 5 -10.512 4.742 10.837
50 HE2 PHE 5 2HE PHE 5 -7.872 3.549 14.008
51 HZ PHE 5 HZ PHE 5 -10.070 4.413 13.255
52 H ARG 6 H ARG 6 -5.202 2.992 6.853
53 HA ARG 6 HA ARG 6 -3.220 0.801 7.079
54 1HB ARG 6 2HB ARG 6 -5.098 -0.021 5.653
55 2HB ARG 6 1HB ARG 6 -4.827 1.337 4.560
56 1HG ARG 6 2HG ARG 6 -2.967 0.398 3.647
57 2HG ARG 6 1HG ARG 6 -2.409 -0.235 5.197
58 1HD ARG 6 2HD ARG 6 -4.602 -1.795 4.831
59 2HD ARG 6 1HD ARG 6 -4.121 -1.530 3.144
60 HE ARG 6 HE ARG 6 -1.803 -2.101 4.754
61 1HH1 ARG 6 1HH2 ARG 6 -4.344 -3.375 2.836
62 2HH1 ARG 6 2HH2 ARG 6 -3.746 -5.000 2.870
63 1HH2 ARG 6 1HH1 ARG 6 -1.121 -4.271 5.015
64 2HH2 ARG 6 2HH1 ARG 6 -1.922 -5.508 4.103
65 H VAL 7 H VAL 7 -4.303 3.732 5.359
66 HA VAL 7 HA VAL 7 -1.542 4.759 5.395
67 HB VAL 7 HB VAL 7 -3.067 4.071 2.869
68 1HG1 VAL 7 1HG1 VAL 7 -0.328 5.311 2.918
69 2HG1 VAL 7 2HG1 VAL 7 -1.757 6.340 2.997
70 3HG1 VAL 7 3HG1 VAL 7 -1.510 5.280 1.610
71 1HG2 VAL 7 1HG2 VAL 7 -1.918 2.141 3.611
72 2HG2 VAL 7 2HG2 VAL 7 -0.539 3.078 4.186
73 3HG2 VAL 7 3HG2 VAL 7 -0.804 2.873 2.455
74 H CYS 8 H CYS 8 -2.052 6.723 6.324
75 HA CYS 8 HA CYS 8 -4.487 8.183 5.495
76 1HB CYS 8 2HB CYS 8 -2.294 9.009 7.415
77 2HB CYS 8 1HB CYS 8 -3.967 9.565 7.393
78 H TYR 9 H TYR 9 -4.423 9.691 3.885
79 HA TYR 9 HA TYR 9 -1.763 10.653 2.931
80 1HB TYR 9 2HB TYR 9 -4.331 9.913 1.785
81 2HB TYR 9 1HB TYR 9 -3.827 11.509 1.228
82 HD1 TYR 9 1HD TYR 9 -1.664 8.639 2.223
83 HD2 TYR 9 2HD TYR 9 -3.105 11.095 -0.994
84 HE1 TYR 9 1HE TYR 9 -0.025 7.589 0.687
85 HE2 TYR 9 2HE TYR 9 -1.466 10.044 -2.529
86 HH TYR 9 HH TYR 9 0.510 8.812 -2.543
87 H ARG 10 H ARG 10 -2.430 11.888 5.294
88 HA ARG 10 HA ARG 10 -2.783 14.008 6.252
89 1HB ARG 10 2HB ARG 10 -2.282 14.680 3.336
90 2HB ARG 10 1HB ARG 10 -2.289 15.875 4.634
91 1HG ARG 10 2HG ARG 10 -0.545 14.359 5.789
92 2HG ARG 10 1HG ARG 10 -0.365 13.586 4.213
93 1HD ARG 10 2HD ARG 10 0.348 15.641 3.185
94 2HD ARG 10 1HD ARG 10 -0.111 16.585 4.617
95 HE ARG 10 HE ARG 10 1.628 14.953 5.784
96 1HH1 ARG 10 1HH2 ARG 10 2.042 17.391 3.576
97 2HH1 ARG 10 2HH2 ARG 10 3.643 16.944 3.088
98 1HH2 ARG 10 1HH1 ARG 10 3.589 13.905 4.756
99 2HH2 ARG 10 2HH1 ARG 10 4.519 14.970 3.757
100 H GLY 11 H GLY 11 -5.165 12.612 5.669
101 1HA GLY 11 2HA GLY 11 -7.253 14.244 6.027
102 2HA GLY 11 1HA GLY 11 -6.956 14.542 4.313
103 H PHE 12 H PHE 12 -6.236 11.961 3.482
104 HA PHE 12 HA PHE 12 -8.801 10.469 3.939
105 1HB PHE 12 2HB PHE 12 -7.220 11.272 1.580
106 2HB PHE 12 1HB PHE 12 -7.775 9.599 1.542
107 HD1 PHE 12 1HD PHE 12 -10.324 9.690 2.954
108 HD2 PHE 12 2HD PHE 12 -8.643 12.496 0.170
109 HE1 PHE 12 1HE PHE 12 -12.604 10.458 2.352
110 HE2 PHE 12 2HE PHE 12 -10.923 13.264 -0.432
111 HZ PHE 12 HZ PHE 12 -12.904 12.245 0.660
112 H CYS 13 H CYS 13 -8.339 8.749 5.275
113 HA CYS 13 HA CYS 13 -5.854 7.166 4.694
114 1HB CYS 13 2HB CYS 13 -5.901 8.557 6.821
115 2HB CYS 13 1HB CYS 13 -7.233 7.539 7.367
116 H TYR 14 H TYR 14 -6.080 4.909 4.760
117 HA TYR 14 HA TYR 14 -8.480 3.723 3.911
118 1HB TYR 14 2HB TYR 14 -5.866 2.952 4.783
119 2HB TYR 14 1HB TYR 14 -7.034 1.868 5.538
120 HD1 TYR 14 1HD TYR 14 -8.617 0.558 4.142
121 HD2 TYR 14 2HD TYR 14 -5.499 2.947 2.404
122 HE1 TYR 14 1HE TYR 14 -8.903 -0.638 1.988
123 HE2 TYR 14 2HE TYR 14 -5.786 1.752 0.248
124 HH TYR 14 HH TYR 14 -6.747 -0.010 -0.760
125 H ARG 15 H ARG 15 -10.060 2.404 5.079
126 HA ARG 15 HA ARG 15 -10.217 2.883 8.024
127 1HB ARG 15 2HB ARG 15 -12.236 3.576 5.878
128 2HB ARG 15 1HB ARG 15 -12.680 3.445 7.580
129 1HG ARG 15 2HG ARG 15 -11.528 5.346 8.171
130 2HG ARG 15 1HG ARG 15 -10.299 5.115 6.927
131 1HD ARG 15 2HD ARG 15 -11.985 5.757 5.190
132 2HD ARG 15 1HD ARG 15 -13.138 6.109 6.493
133 HE ARG 15 HE ARG 15 -10.526 7.528 6.139
134 1HH1 ARG 15 1HH1 ARG 15 -13.001 9.002 5.459
135 2HH1 ARG 15 2HH1 ARG 15 -13.368 9.836 6.933
136 1HH2 ARG 15 1HH2 ARG 15 -11.305 7.846 8.883
137 2HH2 ARG 15 2HH2 ARG 15 -12.408 9.181 8.871
138 H LYS 16 H LYS 16 -9.663 0.543 8.061
139 HA LYS 16 HA LYS 16 -12.063 -1.159 7.496
140 1HB LYS 16 2HB LYS 16 -9.996 -1.222 5.881
141 2HB LYS 16 1HB LYS 16 -9.232 -2.138 7.181
142 1HG LYS 16 2HG LYS 16 -11.384 -3.580 7.150
143 2HG LYS 16 1HG LYS 16 -11.681 -2.847 5.574
144 1HD LYS 16 2HD LYS 16 -9.001 -4.069 6.190
145 2HD LYS 16 1HD LYS 16 -10.347 -5.090 5.680
146 1HE LYS 16 2HE LYS 16 -10.233 -2.781 3.960
147 2HE LYS 16 1HE LYS 16 -8.639 -3.560 4.008
148 1HZ LYS 16 1HZ LYS 16 -11.224 -4.672 3.180
149 2HZ LYS 16 2HZ LYS 16 -10.103 -5.712 3.922
150 3HZ LYS 16 3HZ LYS 16 -9.688 -4.892 2.493
151 H CYS 17 H CYS 17 -12.744 -1.735 9.528
152 HA CYS 17 HA CYS 17 -11.191 -3.423 11.233
153 1HB CYS 17 2HB CYS 17 -10.895 -1.671 13.082
154 2HB CYS 17 1HB CYS 17 -9.840 -1.500 11.681
155 H ARG 18 H ARG 18 -12.543 -4.324 12.813
156 HA ARG 18 HA ARG 18 -15.322 -3.212 12.943
157 1HB ARG 18 2HB ARG 18 -14.123 -5.979 13.231
158 2HB ARG 18 1HB ARG 18 -15.803 -5.627 13.639
159 1HG ARG 18 2HG ARG 18 -16.055 -4.661 11.304
160 2HG ARG 18 1HG ARG 18 -14.467 -5.335 10.939
161 1HD ARG 18 2HD ARG 18 -15.387 -7.593 11.727
162 2HD ARG 18 1HD ARG 18 -16.992 -6.837 11.679
163 HE ARG 18 HE ARG 18 -16.013 -6.137 9.241
164 1HH1 ARG 18 1HH2 ARG 18 -14.081 -8.449 9.510
165 2HH1 ARG 18 2HH2 ARG 18 -14.959 -9.727 8.738
166 1HH2 ARG 18 1HH1 ARG 18 -18.002 -8.068 8.868
167 2HH2 ARG 18 2HH1 ARG 18 -17.181 -9.510 8.374
168 1HN NH2 19 1H ARG 18 -16.194 -2.759 15.033
169 2HN NH2 19 2H ARG 18 -15.327 -2.948 16.480
Start of MODEL 9
1 1H ARG 1 1HT ARG 1 -4.005 -8.830 16.013
2 2H ARG 1 2HT ARG 1 -5.009 -9.801 15.044
3 3H ARG 1 3HT ARG 1 -5.572 -8.308 15.628
4 HA ARG 1 HA ARG 1 -4.512 -7.111 14.040
5 1HB ARG 1 2HB ARG 1 -2.238 -7.828 13.282
6 2HB ARG 1 1HB ARG 1 -2.357 -7.717 15.039
7 1HG ARG 1 2HG ARG 1 -3.167 -10.321 14.499
8 2HG ARG 1 1HG ARG 1 -1.846 -10.055 13.361
9 1HD ARG 1 2HD ARG 1 -1.332 -9.039 16.095
10 2HD ARG 1 1HD ARG 1 -1.454 -10.804 15.958
11 HE ARG 1 HE ARG 1 0.619 -9.136 14.732
12 1HH1 ARG 1 1HH1 ARG 1 1.118 -11.850 15.882
13 2HH1 ARG 1 2HH1 ARG 1 1.313 -12.820 14.461
14 1HH2 ARG 1 1HH2 ARG 1 -0.120 -10.478 12.343
15 2HH2 ARG 1 2HH2 ARG 1 0.611 -12.044 12.457
16 H ARG 2 H ARG 2 -5.882 -7.340 12.299
17 HA ARG 2 HA ARG 2 -5.957 -9.951 10.850
18 1HB ARG 2 2HB ARG 2 -7.782 -7.691 11.414
19 2HB ARG 2 1HB ARG 2 -7.914 -8.361 9.787
20 1HG ARG 2 2HG ARG 2 -9.434 -9.611 11.156
21 2HG ARG 2 1HG ARG 2 -8.044 -10.659 10.872
22 1HD ARG 2 2HD ARG 2 -7.675 -10.802 13.100
23 2HD ARG 2 1HD ARG 2 -7.551 -9.035 13.209
24 HE ARG 2 HE ARG 2 -10.020 -8.958 13.430
25 1HH1 ARG 2 1HH2 ARG 2 -8.445 -11.163 15.223
26 2HH1 ARG 2 2HH2 ARG 2 -9.747 -12.294 15.389
27 1HH2 ARG 2 1HH1 ARG 2 -11.721 -10.784 12.972
28 2HH2 ARG 2 2HH1 ARG 2 -11.601 -12.080 14.115
29 H TRP 3 H TRP 3 -5.713 -9.959 8.539
30 HA TRP 3 HA TRP 3 -3.643 -8.343 7.463
31 1HB TRP 3 2HB TRP 3 -4.530 -9.321 5.280
32 2HB TRP 3 1HB TRP 3 -4.176 -10.501 6.542
33 HD1 TRP 3 HD TRP 3 -7.075 -8.833 4.711
34 HE1 TRP 3 1HE TRP 3 -9.234 -10.159 5.184
35 HE3 TRP 3 3HE TRP 3 -5.356 -12.081 8.259
36 HZ2 TRP 3 2HZ TRP 3 -10.115 -12.313 6.848
37 HZ3 TRP 3 3HZ TRP 3 -6.875 -13.758 9.268
38 HH2 TRP 3 HH TRP 3 -9.250 -13.879 8.568
39 H CYS 4 H CYS 4 -4.456 -6.158 8.116
40 HA CYS 4 HA CYS 4 -6.405 -5.068 6.106
41 1HB CYS 4 2HB CYS 4 -6.449 -5.145 8.964
42 2HB CYS 4 1HB CYS 4 -6.231 -3.464 8.477
43 H PHE 5 H PHE 5 -5.618 -3.374 4.907
44 HA PHE 5 HA PHE 5 -2.859 -2.439 5.425
45 1HB PHE 5 2HB PHE 5 -4.816 -1.750 3.211
46 2HB PHE 5 1HB PHE 5 -3.065 -1.547 3.176
47 HD1 PHE 5 1HD PHE 5 -1.575 -3.443 2.871
48 HD2 PHE 5 2HD PHE 5 -5.831 -3.990 3.094
49 HE1 PHE 5 1HE PHE 5 -1.322 -5.761 2.027
50 HE2 PHE 5 2HE PHE 5 -5.577 -6.308 2.250
51 HZ PHE 5 HZ PHE 5 -3.322 -7.194 1.717
52 H ARG 6 H ARG 6 -2.405 -0.077 5.377
53 HA ARG 6 HA ARG 6 -4.668 1.727 6.017
54 1HB ARG 6 2HB ARG 6 -3.385 0.356 8.018
55 2HB ARG 6 1HB ARG 6 -2.441 1.845 7.955
56 1HG ARG 6 2HG ARG 6 -4.467 3.185 8.208
57 2HG ARG 6 1HG ARG 6 -5.463 1.729 8.171
58 1HD ARG 6 2HD ARG 6 -5.265 2.051 10.478
59 2HD ARG 6 1HD ARG 6 -3.857 1.011 10.185
60 HE ARG 6 HE ARG 6 -2.588 3.244 9.855
61 1HH1 ARG 6 1HH1 ARG 6 -2.825 2.577 12.721
62 2HH1 ARG 6 2HH1 ARG 6 -3.547 4.001 13.392
63 1HH2 ARG 6 1HH2 ARG 6 -4.627 5.218 10.330
64 2HH2 ARG 6 2HH2 ARG 6 -4.567 5.496 12.040
65 H VAL 7 H VAL 7 -4.222 3.770 5.232
66 HA VAL 7 HA VAL 7 -1.429 4.706 4.975
67 HB VAL 7 HB VAL 7 -3.275 4.157 2.629
68 1HG1 VAL 7 1HG1 VAL 7 -0.475 5.278 2.480
69 2HG1 VAL 7 2HG1 VAL 7 -1.884 6.333 2.584
70 3HG1 VAL 7 3HG1 VAL 7 -1.705 5.232 1.218
71 1HG2 VAL 7 1HG2 VAL 7 -1.268 2.763 1.919
72 2HG2 VAL 7 2HG2 VAL 7 -2.143 2.153 3.323
73 3HG2 VAL 7 3HG2 VAL 7 -0.619 3.016 3.540
74 H CYS 8 H CYS 8 -1.867 6.611 6.109
75 HA CYS 8 HA CYS 8 -4.288 8.192 5.457
76 1HB CYS 8 2HB CYS 8 -2.064 8.303 7.502
77 2HB CYS 8 1HB CYS 8 -3.230 9.616 7.342
78 H TYR 9 H TYR 9 -4.173 9.693 3.842
79 HA TYR 9 HA TYR 9 -1.500 10.740 3.026
80 1HB TYR 9 2HB TYR 9 -4.082 10.091 1.769
81 2HB TYR 9 1HB TYR 9 -3.391 11.616 1.212
82 HD1 TYR 9 1HD TYR 9 -0.608 11.349 1.070
83 HD2 TYR 9 2HD TYR 9 -3.558 8.305 0.376
84 HE1 TYR 9 1HE TYR 9 1.008 10.105 -0.341
85 HE2 TYR 9 2HE TYR 9 -1.942 7.061 -1.036
86 HH TYR 9 HH TYR 9 0.076 7.518 -2.356
87 H ARG 10 H ARG 10 -2.496 11.818 5.439
88 HA ARG 10 HA ARG 10 -3.043 13.870 6.460
89 1HB ARG 10 2HB ARG 10 -1.879 14.666 3.775
90 2HB ARG 10 1HB ARG 10 -2.184 15.819 5.076
91 1HG ARG 10 2HG ARG 10 -0.760 14.357 6.576
92 2HG ARG 10 1HG ARG 10 -0.312 13.439 5.136
93 1HD ARG 10 2HD ARG 10 0.293 15.812 4.153
94 2HD ARG 10 1HD ARG 10 0.395 16.268 5.866
95 HE ARG 10 HE ARG 10 1.777 13.879 5.765
96 1HH1 ARG 10 1HH1 ARG 10 2.680 16.964 5.762
97 2HH1 ARG 10 2HH1 ARG 10 4.031 16.825 4.687
98 1HH2 ARG 10 1HH2 ARG 10 3.192 13.634 3.621
99 2HH2 ARG 10 2HH2 ARG 10 4.320 14.941 3.474
100 H GLY 11 H GLY 11 -5.334 12.717 5.520
101 1HA GLY 11 2HA GLY 11 -7.213 14.739 5.298
102 2HA GLY 11 1HA GLY 11 -6.751 14.412 3.627
103 H PHE 12 H PHE 12 -6.427 11.705 3.567
104 HA PHE 12 HA PHE 12 -8.963 10.551 4.658
105 1HB PHE 12 2HB PHE 12 -8.026 10.895 1.832
106 2HB PHE 12 1HB PHE 12 -8.965 9.455 2.230
107 HD1 PHE 12 1HD PHE 12 -11.172 9.832 3.571
108 HD2 PHE 12 2HD PHE 12 -9.127 12.919 1.393
109 HE1 PHE 12 1HE PHE 12 -13.257 11.173 3.514
110 HE2 PHE 12 2HE PHE 12 -11.213 14.260 1.337
111 HZ PHE 12 HZ PHE 12 -13.278 13.388 2.397
112 H CYS 13 H CYS 13 -8.535 8.599 5.614
113 HA CYS 13 HA CYS 13 -5.919 7.278 5.045
114 1HB CYS 13 2HB CYS 13 -7.976 7.040 7.264
115 2HB CYS 13 1HB CYS 13 -6.485 6.099 7.197
116 H TYR 14 H TYR 14 -5.827 5.125 4.395
117 HA TYR 14 HA TYR 14 -8.338 4.031 3.229
118 1HB TYR 14 2HB TYR 14 -5.686 4.328 2.387
119 2HB TYR 14 1HB TYR 14 -5.853 2.601 2.708
120 HD1 TYR 14 1HD TYR 14 -6.502 1.324 0.890
121 HD2 TYR 14 2HD TYR 14 -7.978 5.341 1.252
122 HE1 TYR 14 1HE TYR 14 -7.771 1.046 -1.224
123 HE2 TYR 14 2HE TYR 14 -9.247 5.065 -0.862
124 HH TYR 14 HH TYR 14 -9.726 2.027 -2.334
125 H ARG 15 H ARG 15 -8.747 1.693 3.486
126 HA ARG 15 HA ARG 15 -7.365 0.033 5.360
127 1HB ARG 15 2HB ARG 15 -8.500 0.431 7.353
128 2HB ARG 15 1HB ARG 15 -8.473 2.053 6.670
129 1HG ARG 15 2HG ARG 15 -10.765 1.064 5.555
130 2HG ARG 15 1HG ARG 15 -10.758 0.230 7.108
131 1HD ARG 15 2HD ARG 15 -10.172 3.179 7.047
132 2HD ARG 15 1HD ARG 15 -11.855 2.623 6.940
133 HE ARG 15 HE ARG 15 -10.106 1.535 9.096
134 1HH1 ARG 15 1HH2 ARG 15 -11.498 4.387 9.161
135 2HH1 ARG 15 2HH2 ARG 15 -12.825 4.013 10.208
136 1HH2 ARG 15 1HH1 ARG 15 -12.402 0.581 9.960
137 2HH2 ARG 15 2HH1 ARG 15 -13.337 1.859 10.661
138 H LYS 16 H LYS 16 -8.269 -2.069 5.344
139 HA LYS 16 HA LYS 16 -10.982 -2.660 4.563
140 1HB LYS 16 2HB LYS 16 -10.386 -1.828 2.418
141 2HB LYS 16 1HB LYS 16 -8.794 -2.584 2.479
142 1HG LYS 16 2HG LYS 16 -9.848 -4.815 2.385
143 2HG LYS 16 1HG LYS 16 -11.440 -4.058 2.315
144 1HD LYS 16 2HD LYS 16 -11.207 -4.037 0.071
145 2HD LYS 16 1HD LYS 16 -9.988 -2.781 0.300
146 1HE LYS 16 2HE LYS 16 -8.465 -4.960 0.811
147 2HE LYS 16 1HE LYS 16 -9.625 -5.664 -0.335
148 1HZ LYS 16 1HZ LYS 16 -8.137 -3.123 -0.745
149 2HZ LYS 16 2HZ LYS 16 -9.230 -3.827 -1.838
150 3HZ LYS 16 3HZ LYS 16 -7.760 -4.602 -1.486
151 H CYS 17 H CYS 17 -11.276 -4.612 5.550
152 HA CYS 17 HA CYS 17 -8.939 -6.466 5.787
153 1HB CYS 17 2HB CYS 17 -11.269 -5.672 7.432
154 2HB CYS 17 1HB CYS 17 -10.884 -7.393 7.473
155 H ARG 18 H ARG 18 -9.027 -7.870 4.036
156 HA ARG 18 HA ARG 18 -11.086 -9.854 3.862
157 1HB ARG 18 2HB ARG 18 -11.857 -7.384 2.888
158 2HB ARG 18 1HB ARG 18 -11.325 -8.220 1.429
159 1HG ARG 18 2HG ARG 18 -13.219 -9.429 1.410
160 2HG ARG 18 1HG ARG 18 -12.846 -10.057 3.015
161 1HD ARG 18 2HD ARG 18 -15.058 -8.810 2.864
162 2HD ARG 18 1HD ARG 18 -13.938 -8.152 4.073
163 HE ARG 18 HE ARG 18 -13.373 -6.884 1.593
164 1HH1 ARG 18 1HH1 ARG 18 -16.480 -7.337 2.646
165 2HH1 ARG 18 2HH1 ARG 18 -16.839 -5.666 2.929
166 1HH2 ARG 18 1HH2 ARG 18 -13.558 -4.618 2.522
167 2HH2 ARG 18 2HH2 ARG 18 -15.185 -4.127 2.859
168 1HN NH2 19 1H ARG 18 -8.762 -7.981 1.834
169 2HN NH2 19 2H ARG 18 -8.051 -9.341 1.111
Start of MODEL 10
1 1H ARG 1 1HT ARG 1 -0.009 -8.129 7.781
2 2H ARG 1 2HT ARG 1 0.858 -7.368 6.534
3 3H ARG 1 3HT ARG 1 0.011 -8.808 6.227
4 HA ARG 1 HA ARG 1 -1.528 -6.526 7.239
5 1HB ARG 1 2HB ARG 1 0.147 -5.711 5.526
6 2HB ARG 1 1HB ARG 1 -0.587 -6.825 4.371
7 1HG ARG 1 2HG ARG 1 -2.463 -5.547 4.129
8 2HG ARG 1 1HG ARG 1 -2.481 -5.072 5.827
9 1HD ARG 1 2HD ARG 1 -1.817 -3.042 4.968
10 2HD ARG 1 1HD ARG 1 -0.213 -3.802 4.976
11 HE ARG 1 HE ARG 1 -1.776 -4.439 2.591
12 1HH1 ARG 1 1HH2 ARG 1 -0.506 -1.592 3.870
13 2HH1 ARG 1 2HH2 ARG 1 0.504 -1.230 2.510
14 1HH2 ARG 1 1HH1 ARG 1 -0.091 -4.258 0.927
15 2HH2 ARG 1 2HH1 ARG 1 0.739 -2.739 0.843
16 H ARG 2 H ARG 2 -3.553 -7.403 7.372
17 HA ARG 2 HA ARG 2 -4.537 -9.136 5.171
18 1HB ARG 2 2HB ARG 2 -3.558 -10.053 7.713
19 2HB ARG 2 1HB ARG 2 -5.293 -10.359 7.631
20 1HG ARG 2 2HG ARG 2 -5.099 -11.756 5.775
21 2HG ARG 2 1HG ARG 2 -3.573 -11.033 5.266
22 1HD ARG 2 2HD ARG 2 -2.404 -12.586 6.428
23 2HD ARG 2 1HD ARG 2 -3.297 -12.197 7.911
24 HE ARG 2 HE ARG 2 -5.183 -13.622 6.720
25 1HH1 ARG 2 1HH1 ARG 2 -2.357 -14.173 5.138
26 2HH1 ARG 2 2HH1 ARG 2 -2.207 -15.849 5.551
27 1HH2 ARG 2 1HH2 ARG 2 -4.751 -15.770 7.906
28 2HH2 ARG 2 2HH2 ARG 2 -3.562 -16.753 7.117
29 H TRP 3 H TRP 3 -6.530 -8.328 4.669
30 HA TRP 3 HA TRP 3 -8.690 -7.404 4.948
31 1HB TRP 3 2HB TRP 3 -8.296 -8.016 7.884
32 2HB TRP 3 1HB TRP 3 -9.800 -8.026 6.964
33 HD1 TRP 3 HD TRP 3 -8.226 -10.496 8.615
34 HE1 TRP 3 1HE TRP 3 -8.003 -12.732 7.350
35 HE3 TRP 3 3HE TRP 3 -8.957 -8.878 3.826
36 HZ2 TRP 3 2HZ TRP 3 -8.120 -13.704 4.663
37 HZ3 TRP 3 3HZ TRP 3 -8.896 -10.478 1.936
38 HH2 TRP 3 HH TRP 3 -8.479 -12.888 2.347
39 H CYS 4 H CYS 4 -9.008 -5.220 4.877
40 HA CYS 4 HA CYS 4 -8.963 -2.928 5.556
41 1HB CYS 4 2HB CYS 4 -9.292 -4.444 7.801
42 2HB CYS 4 1HB CYS 4 -7.783 -3.617 8.187
43 H PHE 5 H PHE 5 -7.412 -1.360 5.235
44 HA PHE 5 HA PHE 5 -4.544 -2.225 5.407
45 1HB PHE 5 2HB PHE 5 -5.829 -0.069 3.700
46 2HB PHE 5 1HB PHE 5 -4.194 -0.711 3.539
47 HD1 PHE 5 1HD PHE 5 -3.914 -3.197 2.991
48 HD2 PHE 5 2HD PHE 5 -7.653 -1.115 2.618
49 HE1 PHE 5 1HE PHE 5 -4.764 -4.989 1.502
50 HE2 PHE 5 2HE PHE 5 -8.502 -2.907 1.128
51 HZ PHE 5 HZ PHE 5 -7.057 -4.844 0.570
52 H ARG 6 H ARG 6 -3.695 0.568 4.954
53 HA ARG 6 HA ARG 6 -4.718 2.304 7.012
54 1HB ARG 6 2HB ARG 6 -3.878 0.611 8.512
55 2HB ARG 6 1HB ARG 6 -2.349 0.518 7.638
56 1HG ARG 6 2HG ARG 6 -1.537 2.455 8.570
57 2HG ARG 6 1HG ARG 6 -3.135 3.194 8.684
58 1HD ARG 6 2HD ARG 6 -2.595 2.738 10.944
59 2HD ARG 6 1HD ARG 6 -3.582 1.335 10.488
60 HE ARG 6 HE ARG 6 -1.110 0.477 9.767
61 1HH1 ARG 6 1HH1 ARG 6 -2.770 0.772 12.631
62 2HH1 ARG 6 2HH1 ARG 6 -1.390 0.639 13.668
63 1HH2 ARG 6 1HH2 ARG 6 0.909 0.868 11.082
64 2HH2 ARG 6 2HH2 ARG 6 0.693 0.692 12.791
65 H VAL 7 H VAL 7 -4.327 4.011 5.568
66 HA VAL 7 HA VAL 7 -1.518 4.875 5.296
67 HB VAL 7 HB VAL 7 -3.289 3.991 3.007
68 1HG1 VAL 7 1HG1 VAL 7 -1.392 4.934 1.567
69 2HG1 VAL 7 2HG1 VAL 7 -0.899 5.843 2.995
70 3HG1 VAL 7 3HG1 VAL 7 -2.487 6.118 2.281
71 1HG2 VAL 7 1HG2 VAL 7 -0.626 3.220 4.161
72 2HG2 VAL 7 2HG2 VAL 7 -0.917 2.971 2.439
73 3HG2 VAL 7 3HG2 VAL 7 -1.953 2.186 3.631
74 H CYS 8 H CYS 8 -2.182 6.768 6.438
75 HA CYS 8 HA CYS 8 -4.476 8.350 5.507
76 1HB CYS 8 2HB CYS 8 -2.327 8.595 7.614
77 2HB CYS 8 1HB CYS 8 -3.442 9.923 7.297
78 H TYR 9 H TYR 9 -4.303 9.715 3.783
79 HA TYR 9 HA TYR 9 -1.610 10.639 2.913
80 1HB TYR 9 2HB TYR 9 -3.303 9.512 1.400
81 2HB TYR 9 1HB TYR 9 -4.321 10.939 1.590
82 HD1 TYR 9 1HD TYR 9 -0.915 9.843 0.515
83 HD2 TYR 9 2HD TYR 9 -3.954 12.870 0.286
84 HE1 TYR 9 1HE TYR 9 0.377 11.005 -1.253
85 HE2 TYR 9 2HE TYR 9 -2.661 14.033 -1.484
86 HH TYR 9 HH TYR 9 -0.152 14.131 -2.161
87 H ARG 10 H ARG 10 -2.575 11.868 5.289
88 HA ARG 10 HA ARG 10 -2.755 14.046 6.172
89 1HB ARG 10 2HB ARG 10 -1.513 14.212 3.642
90 2HB ARG 10 1HB ARG 10 -2.730 15.490 3.658
91 1HG ARG 10 2HG ARG 10 -0.569 15.040 5.739
92 2HG ARG 10 1HG ARG 10 -0.641 16.361 4.573
93 1HD ARG 10 2HD ARG 10 -2.067 17.546 5.882
94 2HD ARG 10 1HD ARG 10 -3.110 16.132 6.137
95 HE ARG 10 HE ARG 10 -1.315 15.366 7.803
96 1HH1 ARG 10 1HH2 ARG 10 -2.865 18.293 7.856
97 2HH1 ARG 10 2HH2 ARG 10 -1.752 19.088 8.919
98 1HH2 ARG 10 1HH1 ARG 10 0.602 16.546 8.785
99 2HH2 ARG 10 2HH1 ARG 10 0.212 18.099 9.444
100 H GLY 11 H GLY 11 -5.141 12.634 5.697
101 1HA GLY 11 2HA GLY 11 -7.239 14.228 6.074
102 2HA GLY 11 1HA GLY 11 -6.977 14.540 4.357
103 H PHE 12 H PHE 12 -6.201 11.929 3.563
104 HA PHE 12 HA PHE 12 -8.798 10.475 3.929
105 1HB PHE 12 2HB PHE 12 -7.749 11.478 1.672
106 2HB PHE 12 1HB PHE 12 -6.911 9.926 1.679
107 HD1 PHE 12 1HD PHE 12 -8.794 8.053 2.792
108 HD2 PHE 12 2HD PHE 12 -9.529 11.366 0.159
109 HE1 PHE 12 1HE PHE 12 -10.848 6.937 1.964
110 HE2 PHE 12 2HE PHE 12 -11.583 10.249 -0.671
111 HZ PHE 12 HZ PHE 12 -12.242 8.035 0.232
112 H CYS 13 H CYS 13 -8.640 8.577 5.054
113 HA CYS 13 HA CYS 13 -5.964 7.218 5.170
114 1HB CYS 13 2HB CYS 13 -8.249 7.410 7.159
115 2HB CYS 13 1HB CYS 13 -6.803 6.429 7.404
116 H TYR 14 H TYR 14 -5.914 5.105 4.493
117 HA TYR 14 HA TYR 14 -8.215 3.926 3.187
118 1HB TYR 14 2HB TYR 14 -5.387 3.572 3.409
119 2HB TYR 14 1HB TYR 14 -6.152 2.025 3.773
120 HD1 TYR 14 1HD TYR 14 -7.192 0.728 2.072
121 HD2 TYR 14 2HD TYR 14 -5.990 4.771 1.264
122 HE1 TYR 14 1HE TYR 14 -7.649 0.381 -0.341
123 HE2 TYR 14 2HE TYR 14 -6.446 4.425 -1.150
124 HH TYR 14 HH TYR 14 -8.271 2.015 -2.345
125 H ARG 15 H ARG 15 -9.854 2.869 4.229
126 HA ARG 15 HA ARG 15 -9.227 1.130 6.551
127 1HB ARG 15 2HB ARG 15 -10.175 3.790 6.773
128 2HB ARG 15 1HB ARG 15 -11.553 2.746 7.131
129 1HG ARG 15 2HG ARG 15 -10.593 2.817 9.229
130 2HG ARG 15 1HG ARG 15 -9.713 1.441 8.563
131 1HD ARG 15 2HD ARG 15 -7.737 2.594 8.464
132 2HD ARG 15 1HD ARG 15 -8.534 4.103 7.975
133 HE ARG 15 HE ARG 15 -9.162 3.281 10.714
134 1HH1 ARG 15 1HH1 ARG 15 -6.375 4.284 9.095
135 2HH1 ARG 15 2HH1 ARG 15 -6.076 5.656 10.109
136 1HH2 ARG 15 1HH2 ARG 15 -9.070 5.365 11.835
137 2HH2 ARG 15 2HH2 ARG 15 -7.602 6.268 11.661
138 H LYS 16 H LYS 16 -9.869 -0.368 4.687
139 HA LYS 16 HA LYS 16 -12.857 -0.533 4.438
140 1HB LYS 16 2HB LYS 16 -10.812 -0.324 2.515
141 2HB LYS 16 1HB LYS 16 -11.329 -2.009 2.457
142 1HG LYS 16 2HG LYS 16 -13.667 -0.386 2.690
143 2HG LYS 16 1HG LYS 16 -12.669 0.285 1.399
144 1HD LYS 16 2HD LYS 16 -12.556 -1.878 0.293
145 2HD LYS 16 1HD LYS 16 -13.415 -2.644 1.630
146 1HE LYS 16 2HE LYS 16 -14.860 -0.331 0.537
147 2HE LYS 16 1HE LYS 16 -14.628 -1.637 -0.644
148 1HZ LYS 16 1HZ LYS 16 -15.658 -1.965 2.126
149 2HZ LYS 16 2HZ LYS 16 -15.404 -3.222 1.012
150 3HZ LYS 16 3HZ LYS 16 -16.592 -2.046 0.713
151 H CYS 17 H CYS 17 -13.587 -2.174 5.733
152 HA CYS 17 HA CYS 17 -12.754 -4.894 5.414
153 1HB CYS 17 2HB CYS 17 -11.614 -5.053 7.700
154 2HB CYS 17 1HB CYS 17 -10.697 -4.218 6.446
155 H ARG 18 H ARG 18 -14.099 -6.301 6.648
156 HA ARG 18 HA ARG 18 -16.071 -6.873 7.822
157 1HB ARG 18 2HB ARG 18 -14.521 -4.884 9.364
158 2HB ARG 18 1HB ARG 18 -16.207 -5.038 9.858
159 1HG ARG 18 2HG ARG 18 -15.274 -7.673 9.438
160 2HG ARG 18 1HG ARG 18 -14.012 -6.845 10.352
161 1HD ARG 18 2HD ARG 18 -15.601 -6.187 12.072
162 2HD ARG 18 1HD ARG 18 -16.953 -6.834 11.121
163 HE ARG 18 HE ARG 18 -14.737 -8.686 11.823
164 1HH1 ARG 18 1HH1 ARG 18 -17.350 -9.629 10.697
165 2HH1 ARG 18 2HH1 ARG 18 -18.180 -10.177 12.116
166 1HH2 ARG 18 1HH2 ARG 18 -16.073 -8.514 14.312
167 2HH2 ARG 18 2HH2 ARG 18 -17.455 -9.545 14.163
168 1HN NH2 19 1H ARG 18 -17.138 -5.828 5.707
169 2HN NH2 19 2H ARG 18 -18.193 -4.528 5.986
Start of MODEL 11
1 1H ARG 1 1HT ARG 1 -5.772 -9.167 13.974
2 2H ARG 1 2HT ARG 1 -5.549 -7.634 14.673
3 3H ARG 1 3HT ARG 1 -4.332 -8.312 13.700
4 HA ARG 1 HA ARG 1 -6.929 -7.163 12.875
5 1HB ARG 1 2HB ARG 1 -4.114 -6.527 12.867
6 2HB ARG 1 1HB ARG 1 -4.705 -6.594 11.206
7 1HG ARG 1 2HG ARG 1 -5.855 -4.672 11.455
8 2HG ARG 1 1HG ARG 1 -6.604 -5.242 12.946
9 1HD ARG 1 2HD ARG 1 -5.161 -3.192 13.266
10 2HD ARG 1 1HD ARG 1 -4.627 -4.579 14.236
11 HE ARG 1 HE ARG 1 -2.660 -4.594 12.940
12 1HH1 ARG 1 1HH1 ARG 1 -4.990 -2.549 11.514
13 2HH1 ARG 1 2HH1 ARG 1 -4.186 -2.451 9.983
14 1HH2 ARG 1 1HH2 ARG 1 -1.730 -4.750 10.827
15 2HH2 ARG 1 2HH2 ARG 1 -2.340 -3.697 9.594
16 H ARG 2 H ARG 2 -7.491 -7.529 10.585
17 HA ARG 2 HA ARG 2 -6.356 -10.057 9.441
18 1HB ARG 2 2HB ARG 2 -9.231 -9.201 9.864
19 2HB ARG 2 1HB ARG 2 -8.783 -10.530 8.796
20 1HG ARG 2 2HG ARG 2 -7.716 -11.710 10.648
21 2HG ARG 2 1HG ARG 2 -8.043 -10.356 11.731
22 1HD ARG 2 2HD ARG 2 -9.965 -11.475 12.245
23 2HD ARG 2 1HD ARG 2 -10.548 -10.919 10.663
24 HE ARG 2 HE ARG 2 -9.153 -13.105 9.914
25 1HH1 ARG 2 1HH1 ARG 2 -12.212 -12.863 10.782
26 2HH1 ARG 2 2HH1 ARG 2 -12.364 -14.372 11.620
27 1HH2 ARG 2 1HH2 ARG 2 -8.947 -14.944 11.759
28 2HH2 ARG 2 2HH2 ARG 2 -10.516 -15.550 12.172
29 H TRP 3 H TRP 3 -5.324 -9.249 7.628
30 HA TRP 3 HA TRP 3 -4.984 -7.954 5.662
31 1HB TRP 3 2HB TRP 3 -7.900 -8.696 5.303
32 2HB TRP 3 1HB TRP 3 -6.668 -8.533 4.050
33 HD1 TRP 3 HD TRP 3 -4.600 -10.355 4.183
34 HE1 TRP 3 1HE TRP 3 -4.669 -12.836 4.878
35 HE3 TRP 3 3HE TRP 3 -9.030 -10.437 6.720
36 HZ2 TRP 3 2HZ TRP 3 -6.377 -14.617 6.322
37 HZ3 TRP 3 3HZ TRP 3 -9.854 -12.538 7.744
38 HH2 TRP 3 HH TRP 3 -8.534 -14.628 7.548
39 H CYS 4 H CYS 4 -4.859 -5.861 6.841
40 HA CYS 4 HA CYS 4 -7.190 -4.107 6.172
41 1HB CYS 4 2HB CYS 4 -5.624 -4.205 8.773
42 2HB CYS 4 1HB CYS 4 -6.915 -3.063 8.405
43 H PHE 5 H PHE 5 -6.365 -2.608 4.771
44 HA PHE 5 HA PHE 5 -3.493 -1.897 4.863
45 1HB PHE 5 2HB PHE 5 -5.737 -0.984 3.035
46 2HB PHE 5 1HB PHE 5 -4.006 -0.848 2.723
47 HD1 PHE 5 1HD PHE 5 -2.623 -2.975 2.533
48 HD2 PHE 5 2HD PHE 5 -6.919 -2.980 2.530
49 HE1 PHE 5 1HE PHE 5 -2.619 -5.251 1.550
50 HE2 PHE 5 2HE PHE 5 -6.915 -5.257 1.547
51 HZ PHE 5 HZ PHE 5 -4.766 -6.393 1.057
52 H ARG 6 H ARG 6 -2.833 -0.156 6.054
53 HA ARG 6 HA ARG 6 -4.834 1.998 6.649
54 1HB ARG 6 2HB ARG 6 -3.781 0.459 8.461
55 2HB ARG 6 1HB ARG 6 -2.312 1.399 8.195
56 1HG ARG 6 2HG ARG 6 -4.294 3.338 8.403
57 2HG ARG 6 1HG ARG 6 -4.755 2.144 9.617
58 1HD ARG 6 2HD ARG 6 -3.074 2.817 10.977
59 2HD ARG 6 1HD ARG 6 -1.885 2.592 9.679
60 HE ARG 6 HE ARG 6 -3.454 4.933 9.142
61 1HH1 ARG 6 1HH2 ARG 6 -1.729 4.049 11.907
62 2HH1 ARG 6 2HH2 ARG 6 -0.677 5.425 11.894
63 1HH2 ARG 6 1HH1 ARG 6 -1.782 6.574 8.815
64 2HH2 ARG 6 2HH1 ARG 6 -0.708 6.856 10.144
65 H VAL 7 H VAL 7 -4.416 3.768 5.377
66 HA VAL 7 HA VAL 7 -1.607 4.740 5.185
67 HB VAL 7 HB VAL 7 -3.468 3.970 2.931
68 1HG1 VAL 7 1HG1 VAL 7 -1.183 5.067 1.778
69 2HG1 VAL 7 2HG1 VAL 7 -1.588 6.204 3.064
70 3HG1 VAL 7 3HG1 VAL 7 -2.779 5.816 1.822
71 1HG2 VAL 7 1HG2 VAL 7 -1.222 2.957 2.150
72 2HG2 VAL 7 2HG2 VAL 7 -2.018 2.187 3.523
73 3HG2 VAL 7 3HG2 VAL 7 -0.655 3.276 3.789
74 H CYS 8 H CYS 8 -1.890 6.744 6.124
75 HA CYS 8 HA CYS 8 -4.354 8.305 5.527
76 1HB CYS 8 2HB CYS 8 -2.135 8.361 7.560
77 2HB CYS 8 1HB CYS 8 -3.136 9.793 7.323
78 H TYR 9 H TYR 9 -4.226 9.650 3.779
79 HA TYR 9 HA TYR 9 -1.576 10.667 2.893
80 1HB TYR 9 2HB TYR 9 -3.687 9.593 1.572
81 2HB TYR 9 1HB TYR 9 -4.099 11.304 1.454
82 HD1 TYR 9 1HD TYR 9 -2.849 12.800 0.064
83 HD2 TYR 9 2HD TYR 9 -1.475 8.781 0.711
84 HE1 TYR 9 1HE TYR 9 -1.168 13.084 -1.738
85 HE2 TYR 9 2HE TYR 9 0.206 9.066 -1.090
86 HH TYR 9 HH TYR 9 1.023 10.417 -2.643
87 H ARG 10 H ARG 10 -2.628 11.789 5.331
88 HA ARG 10 HA ARG 10 -2.882 13.926 6.290
89 1HB ARG 10 2HB ARG 10 -1.162 14.298 4.395
90 2HB ARG 10 1HB ARG 10 -2.509 14.980 3.483
91 1HG ARG 10 2HG ARG 10 -1.206 16.713 4.732
92 2HG ARG 10 1HG ARG 10 -2.901 16.644 5.218
93 1HD ARG 10 2HD ARG 10 -1.081 14.859 6.741
94 2HD ARG 10 1HD ARG 10 -0.859 16.599 7.011
95 HE ARG 10 HE ARG 10 -3.136 15.074 7.893
96 1HH1 ARG 10 1HH2 ARG 10 -2.047 17.930 8.610
97 2HH1 ARG 10 2HH2 ARG 10 -3.462 18.870 8.270
98 1HH2 ARG 10 1HH1 ARG 10 -5.045 16.333 6.513
99 2HH2 ARG 10 2HH1 ARG 10 -5.159 17.965 7.083
100 H GLY 11 H GLY 11 -5.255 12.634 5.765
101 1HA GLY 11 2HA GLY 11 -7.335 14.252 5.996
102 2HA GLY 11 1HA GLY 11 -6.978 14.558 4.295
103 H PHE 12 H PHE 12 -6.189 11.892 3.601
104 HA PHE 12 HA PHE 12 -8.832 10.490 3.851
105 1HB PHE 12 2HB PHE 12 -7.679 11.527 1.628
106 2HB PHE 12 1HB PHE 12 -6.965 9.914 1.608
107 HD1 PHE 12 1HD PHE 12 -8.117 8.506 0.156
108 HD2 PHE 12 2HD PHE 12 -10.330 11.257 2.601
109 HE1 PHE 12 1HE PHE 12 -10.242 7.575 -0.720
110 HE2 PHE 12 2HE PHE 12 -12.456 10.327 1.725
111 HZ PHE 12 HZ PHE 12 -12.412 8.485 0.064
112 H CYS 13 H CYS 13 -8.560 8.793 5.263
113 HA CYS 13 HA CYS 13 -5.971 7.285 5.193
114 1HB CYS 13 2HB CYS 13 -8.149 7.631 7.276
115 2HB CYS 13 1HB CYS 13 -6.776 6.543 7.475
116 H TYR 14 H TYR 14 -6.020 5.150 4.575
117 HA TYR 14 HA TYR 14 -8.611 4.023 3.677
118 1HB TYR 14 2HB TYR 14 -5.874 3.958 2.888
119 2HB TYR 14 1HB TYR 14 -6.337 2.305 3.296
120 HD1 TYR 14 1HD TYR 14 -8.519 5.026 1.979
121 HD2 TYR 14 2HD TYR 14 -6.563 1.289 1.163
122 HE1 TYR 14 1HE TYR 14 -9.761 4.842 -0.160
123 HE2 TYR 14 2HE TYR 14 -7.805 1.106 -0.976
124 HH TYR 14 HH TYR 14 -9.741 1.932 -2.053
125 H ARG 15 H ARG 15 -9.695 2.519 4.885
126 HA ARG 15 HA ARG 15 -8.197 0.755 6.746
127 1HB ARG 15 2HB ARG 15 -8.735 2.805 8.005
128 2HB ARG 15 1HB ARG 15 -10.432 2.648 7.550
129 1HG ARG 15 2HG ARG 15 -9.097 0.330 8.896
130 2HG ARG 15 1HG ARG 15 -9.572 1.716 9.879
131 1HD ARG 15 2HD ARG 15 -11.818 1.335 8.325
132 2HD ARG 15 1HD ARG 15 -11.266 -0.328 8.604
133 HE ARG 15 HE ARG 15 -11.132 0.340 11.073
134 1HH1 ARG 15 1HH1 ARG 15 -13.913 0.355 9.448
135 2HH1 ARG 15 2HH1 ARG 15 -14.714 1.599 10.347
136 1HH2 ARG 15 1HH2 ARG 15 -11.836 2.647 11.971
137 2HH2 ARG 15 2HH2 ARG 15 -13.538 2.897 11.776
138 H LYS 16 H LYS 16 -8.920 -1.027 5.469
139 HA LYS 16 HA LYS 16 -11.836 -1.635 5.740
140 1HB LYS 16 2HB LYS 16 -10.411 -0.907 3.382
141 2HB LYS 16 1HB LYS 16 -10.799 -2.622 3.249
142 1HG LYS 16 2HG LYS 16 -13.093 -1.319 4.319
143 2HG LYS 16 1HG LYS 16 -12.552 -0.376 2.929
144 1HD LYS 16 2HD LYS 16 -13.031 -3.371 2.927
145 2HD LYS 16 1HD LYS 16 -14.127 -2.165 2.253
146 1HE LYS 16 2HE LYS 16 -11.263 -2.167 1.343
147 2HE LYS 16 1HE LYS 16 -12.386 -3.362 0.665
148 1HZ LYS 16 1HZ LYS 16 -13.637 -1.778 -0.315
149 2HZ LYS 16 2HZ LYS 16 -12.201 -0.872 -0.252
150 3HZ LYS 16 3HZ LYS 16 -13.401 -0.651 0.931
151 H CYS 17 H CYS 17 -12.019 -3.604 6.722
152 HA CYS 17 HA CYS 17 -9.776 -5.570 6.386
153 1HB CYS 17 2HB CYS 17 -11.724 -5.052 8.655
154 2HB CYS 17 1HB CYS 17 -10.538 -6.358 8.644
155 H ARG 18 H ARG 18 -10.679 -6.713 4.600
156 HA ARG 18 HA ARG 18 -13.300 -8.072 5.149
157 1HB ARG 18 2HB ARG 18 -12.139 -6.649 2.823
158 2HB ARG 18 1HB ARG 18 -12.993 -8.144 2.439
159 1HG ARG 18 2HG ARG 18 -14.924 -7.297 3.831
160 2HG ARG 18 1HG ARG 18 -14.084 -5.750 3.937
161 1HD ARG 18 2HD ARG 18 -14.033 -5.679 1.414
162 2HD ARG 18 1HD ARG 18 -15.075 -7.116 1.414
163 HE ARG 18 HE ARG 18 -16.051 -4.960 3.137
164 1HH1 ARG 18 1HH2 ARG 18 -15.675 -4.227 0.099
165 2HH1 ARG 18 2HH2 ARG 18 -17.303 -4.449 -0.448
166 1HH2 ARG 18 1HH1 ARG 18 -18.303 -6.167 2.394
167 2HH2 ARG 18 2HH1 ARG 18 -18.791 -5.548 0.851
168 1HN NH2 19 1H ARG 18 -10.541 -8.581 2.867
169 2HN NH2 19 2H ARG 18 -10.324 -10.220 3.251
Start of MODEL 12
1 1H ARG 1 1HT ARG 1 -10.187 -15.123 2.357
2 2H ARG 1 2HT ARG 1 -10.881 -15.074 3.907
3 3H ARG 1 3HT ARG 1 -9.380 -14.331 3.621
4 HA ARG 1 HA ARG 1 -10.765 -12.979 1.854
5 1HB ARG 1 2HB ARG 1 -12.746 -14.385 2.258
6 2HB ARG 1 1HB ARG 1 -12.729 -13.936 3.963
7 1HG ARG 1 2HG ARG 1 -13.239 -11.650 3.460
8 2HG ARG 1 1HG ARG 1 -12.945 -11.897 1.738
9 1HD ARG 1 2HD ARG 1 -14.868 -13.788 2.197
10 2HD ARG 1 1HD ARG 1 -15.360 -12.513 3.330
11 HE ARG 1 HE ARG 1 -14.630 -11.639 0.599
12 1HH1 ARG 1 1HH2 ARG 1 -17.193 -13.283 0.645
13 2HH1 ARG 1 2HH2 ARG 1 -18.385 -12.042 0.846
14 1HH2 ARG 1 1HH1 ARG 1 -16.096 -9.638 1.850
15 2HH2 ARG 1 2HH1 ARG 1 -17.764 -9.978 1.529
16 H ARG 2 H ARG 2 -9.881 -11.031 2.413
17 HA ARG 2 HA ARG 2 -10.528 -9.627 4.827
18 1HB ARG 2 2HB ARG 2 -8.618 -11.676 5.095
19 2HB ARG 2 1HB ARG 2 -7.693 -10.174 5.095
20 1HG ARG 2 2HG ARG 2 -8.999 -9.282 6.914
21 2HG ARG 2 1HG ARG 2 -10.142 -10.620 6.819
22 1HD ARG 2 2HD ARG 2 -7.650 -11.868 7.123
23 2HD ARG 2 1HD ARG 2 -7.607 -10.492 8.242
24 HE ARG 2 HE ARG 2 -10.169 -11.818 8.356
25 1HH1 ARG 2 1HH2 ARG 2 -7.279 -11.191 9.963
26 2HH1 ARG 2 2HH2 ARG 2 -7.422 -12.500 11.089
27 1HH2 ARG 2 1HH1 ARG 2 -10.194 -13.887 9.532
28 2HH2 ARG 2 2HH1 ARG 2 -9.073 -14.026 10.846
29 H TRP 3 H TRP 3 -10.785 -8.125 3.022
30 HA TRP 3 HA TRP 3 -8.234 -7.058 1.878
31 1HB TRP 3 2HB TRP 3 -11.013 -6.259 1.032
32 2HB TRP 3 1HB TRP 3 -9.547 -6.359 0.058
33 HD1 TRP 3 HD TRP 3 -12.531 -7.946 -0.215
34 HE1 TRP 3 1HE TRP 3 -12.404 -10.482 -0.658
35 HE3 TRP 3 3HE TRP 3 -7.731 -8.858 1.261
36 HZ2 TRP 3 2HZ TRP 3 -10.514 -12.613 -0.410
37 HZ3 TRP 3 3HZ TRP 3 -6.791 -11.149 1.147
38 HH2 TRP 3 HH TRP 3 -8.177 -13.027 0.311
39 H CYS 4 H CYS 4 -7.632 -5.810 3.775
40 HA CYS 4 HA CYS 4 -9.280 -3.331 4.112
41 1HB CYS 4 2HB CYS 4 -8.141 -5.194 6.213
42 2HB CYS 4 1HB CYS 4 -8.717 -3.570 6.585
43 H PHE 5 H PHE 5 -8.042 -1.478 4.215
44 HA PHE 5 HA PHE 5 -5.070 -1.799 4.481
45 1HB PHE 5 2HB PHE 5 -6.762 -0.256 2.505
46 2HB PHE 5 1HB PHE 5 -5.059 0.122 2.760
47 HD1 PHE 5 1HD PHE 5 -7.448 -2.286 1.385
48 HD2 PHE 5 2HD PHE 5 -3.303 -1.543 2.233
49 HE1 PHE 5 1HE PHE 5 -6.807 -4.158 -0.110
50 HE2 PHE 5 2HE PHE 5 -2.662 -3.415 0.738
51 HZ PHE 5 HZ PHE 5 -4.414 -4.722 -0.434
52 H ARG 6 H ARG 6 -4.114 0.566 4.820
53 HA ARG 6 HA ARG 6 -5.852 2.454 6.226
54 1HB ARG 6 2HB ARG 6 -4.750 2.079 8.426
55 2HB ARG 6 1HB ARG 6 -5.607 0.640 7.872
56 1HG ARG 6 2HG ARG 6 -3.142 0.263 6.741
57 2HG ARG 6 1HG ARG 6 -2.714 1.075 8.248
58 1HD ARG 6 2HD ARG 6 -4.638 -0.747 9.070
59 2HD ARG 6 1HD ARG 6 -3.728 -1.647 7.841
60 HE ARG 6 HE ARG 6 -1.878 -1.616 9.302
61 1HH1 ARG 6 1HH1 ARG 6 -4.244 0.727 10.192
62 2HH1 ARG 6 2HH1 ARG 6 -3.316 1.356 11.512
63 1HH2 ARG 6 1HH2 ARG 6 -0.603 -0.727 10.952
64 2HH2 ARG 6 2HH2 ARG 6 -1.258 0.534 11.943
65 H VAL 7 H VAL 7 -4.661 3.634 4.422
66 HA VAL 7 HA VAL 7 -1.892 4.413 5.280
67 HB VAL 7 HB VAL 7 -3.260 4.202 2.585
68 1HG1 VAL 7 1HG1 VAL 7 -1.057 5.932 3.451
69 2HG1 VAL 7 2HG1 VAL 7 -1.986 5.964 1.952
70 3HG1 VAL 7 3HG1 VAL 7 -0.611 4.871 2.115
71 1HG2 VAL 7 1HG2 VAL 7 -2.338 2.115 3.424
72 2HG2 VAL 7 2HG2 VAL 7 -0.820 2.909 3.841
73 3HG2 VAL 7 3HG2 VAL 7 -1.277 2.715 2.150
74 H CYS 8 H CYS 8 -2.597 6.160 6.623
75 HA CYS 8 HA CYS 8 -4.520 8.147 5.825
76 1HB CYS 8 2HB CYS 8 -2.374 7.837 7.892
77 2HB CYS 8 1HB CYS 8 -3.074 9.437 7.653
78 H TYR 9 H TYR 9 -4.280 9.838 4.429
79 HA TYR 9 HA TYR 9 -1.568 10.945 3.906
80 1HB TYR 9 2HB TYR 9 -2.704 9.000 2.309
81 2HB TYR 9 1HB TYR 9 -3.180 10.486 1.488
82 HD1 TYR 9 1HD TYR 9 -1.724 11.176 -0.184
83 HD2 TYR 9 2HD TYR 9 -0.134 9.229 3.299
84 HE1 TYR 9 1HE TYR 9 0.568 11.407 -1.102
85 HE2 TYR 9 2HE TYR 9 2.158 9.459 2.382
86 HH TYR 9 HH TYR 9 2.987 9.780 -0.430
87 H ARG 10 H ARG 10 -2.100 13.013 4.617
88 HA ARG 10 HA ARG 10 -3.056 15.161 4.519
89 1HB ARG 10 2HB ARG 10 -2.974 14.048 1.937
90 2HB ARG 10 1HB ARG 10 -4.587 14.746 2.086
91 1HG ARG 10 2HG ARG 10 -2.023 16.219 2.755
92 2HG ARG 10 1HG ARG 10 -2.892 16.378 1.228
93 1HD ARG 10 2HD ARG 10 -4.952 17.005 2.631
94 2HD ARG 10 1HD ARG 10 -3.826 17.192 3.991
95 HE ARG 10 HE ARG 10 -3.620 18.727 1.428
96 1HH1 ARG 10 1HH2 ARG 10 -1.624 18.035 3.941
97 2HH1 ARG 10 2HH2 ARG 10 -1.469 19.652 4.541
98 1HH2 ARG 10 1HH1 ARG 10 -4.015 20.918 2.555
99 2HH2 ARG 10 2HH1 ARG 10 -2.822 21.284 3.758
100 H GLY 11 H GLY 11 -4.498 13.018 5.894
101 1HA GLY 11 2HA GLY 11 -6.565 13.098 7.083
102 2HA GLY 11 1HA GLY 11 -7.162 14.279 5.917
103 H PHE 12 H PHE 12 -5.990 12.204 3.839
104 HA PHE 12 HA PHE 12 -8.564 10.739 3.582
105 1HB PHE 12 2HB PHE 12 -6.942 12.108 1.838
106 2HB PHE 12 1HB PHE 12 -6.446 10.441 1.545
107 HD1 PHE 12 1HD PHE 12 -8.287 8.694 1.117
108 HD2 PHE 12 2HD PHE 12 -8.963 12.933 0.943
109 HE1 PHE 12 1HE PHE 12 -10.349 8.311 -0.207
110 HE2 PHE 12 2HE PHE 12 -11.023 12.550 -0.382
111 HZ PHE 12 HZ PHE 12 -11.717 10.239 -0.957
112 H CYS 13 H CYS 13 -8.199 9.119 5.225
113 HA CYS 13 HA CYS 13 -5.870 7.308 4.861
114 1HB CYS 13 2HB CYS 13 -7.078 8.357 7.051
115 2HB CYS 13 1HB CYS 13 -7.947 6.827 6.930
116 H TYR 14 H TYR 14 -6.075 5.275 4.023
117 HA TYR 14 HA TYR 14 -8.472 4.529 2.589
118 1HB TYR 14 2HB TYR 14 -5.728 3.805 2.799
119 2HB TYR 14 1HB TYR 14 -6.671 2.336 3.050
120 HD1 TYR 14 1HD TYR 14 -7.135 1.114 1.133
121 HD2 TYR 14 2HD TYR 14 -6.860 5.393 0.867
122 HE1 TYR 14 1HE TYR 14 -7.599 0.993 -1.301
123 HE2 TYR 14 2HE TYR 14 -7.323 5.271 -1.566
124 HH TYR 14 HH TYR 14 -8.166 2.213 -3.125
125 H ARG 15 H ARG 15 -10.253 3.544 3.448
126 HA ARG 15 HA ARG 15 -9.913 1.621 5.696
127 1HB ARG 15 2HB ARG 15 -10.657 4.288 6.040
128 2HB ARG 15 1HB ARG 15 -12.192 3.418 6.056
129 1HG ARG 15 2HG ARG 15 -11.564 3.270 8.297
130 2HG ARG 15 1HG ARG 15 -10.904 1.766 7.653
131 1HD ARG 15 2HD ARG 15 -8.755 3.206 7.193
132 2HD ARG 15 1HD ARG 15 -9.449 4.286 8.420
133 HE ARG 15 HE ARG 15 -9.315 1.388 9.056
134 1HH1 ARG 15 1HH2 ARG 15 -7.290 4.073 9.031
135 2HH1 ARG 15 2HH2 ARG 15 -6.874 3.991 10.710
136 1HH2 ARG 15 1HH1 ARG 15 -9.180 1.503 11.432
137 2HH2 ARG 15 2HH1 ARG 15 -7.944 2.536 12.070
138 H LYS 16 H LYS 16 -10.608 -0.069 4.284
139 HA LYS 16 HA LYS 16 -13.520 -0.027 3.660
140 1HB LYS 16 2HB LYS 16 -11.298 0.220 1.794
141 2HB LYS 16 1HB LYS 16 -12.284 -1.196 1.429
142 1HG LYS 16 2HG LYS 16 -14.101 0.875 2.054
143 2HG LYS 16 1HG LYS 16 -12.893 1.591 0.986
144 1HD LYS 16 2HD LYS 16 -13.590 0.383 -0.802
145 2HD LYS 16 1HD LYS 16 -13.755 -1.092 0.151
146 1HE LYS 16 2HE LYS 16 -15.982 -0.513 -0.543
147 2HE LYS 16 1HE LYS 16 -15.873 -0.006 1.154
148 1HZ LYS 16 1HZ LYS 16 -16.611 1.654 -0.768
149 2HZ LYS 16 2HZ LYS 16 -14.930 1.887 -0.853
150 3HZ LYS 16 3HZ LYS 16 -15.757 2.173 0.603
151 H CYS 17 H CYS 17 -14.350 -1.925 4.422
152 HA CYS 17 HA CYS 17 -12.701 -4.408 4.211
153 1HB CYS 17 2HB CYS 17 -13.986 -3.179 6.660
154 2HB CYS 17 1HB CYS 17 -13.516 -4.878 6.600
155 H ARG 18 H ARG 18 -13.964 -6.276 3.880
156 HA ARG 18 HA ARG 18 -15.903 -7.554 3.420
157 1HB ARG 18 2HB ARG 18 -16.495 -5.731 5.532
158 2HB ARG 18 1HB ARG 18 -17.894 -5.765 4.460
159 1HG ARG 18 2HG ARG 18 -17.302 -8.418 4.576
160 2HG ARG 18 1HG ARG 18 -16.786 -7.902 6.183
161 1HD ARG 18 2HD ARG 18 -19.495 -7.181 5.019
162 2HD ARG 18 1HD ARG 18 -19.225 -8.597 6.053
163 HE ARG 18 HE ARG 18 -18.110 -6.759 7.619
164 1HH1 ARG 18 1HH2 ARG 18 -21.264 -7.316 6.770
165 2HH1 ARG 18 2HH2 ARG 18 -21.875 -5.770 7.258
166 1HH2 ARG 18 1HH1 ARG 18 -18.734 -4.391 7.763
167 2HH2 ARG 18 2HH1 ARG 18 -20.444 -4.114 7.820
168 1HN NH2 19 1H ARG 18 -17.398 -4.290 3.276
169 2HN NH2 19 2H ARG 18 -17.715 -4.328 1.608
Start of MODEL 13
1 1H ARG 1 1HT ARG 1 -5.396 -4.903 10.370
2 2H ARG 1 2HT ARG 1 -4.092 -5.979 10.532
3 3H ARG 1 3HT ARG 1 -4.575 -5.022 11.849
4 HA ARG 1 HA ARG 1 -5.456 -7.140 12.318
5 1HB ARG 1 2HB ARG 1 -7.004 -4.832 11.674
6 2HB ARG 1 1HB ARG 1 -7.940 -6.246 11.189
7 1HG ARG 1 2HG ARG 1 -8.294 -6.885 13.333
8 2HG ARG 1 1HG ARG 1 -6.619 -6.572 13.789
9 1HD ARG 1 2HD ARG 1 -8.550 -4.294 13.306
10 2HD ARG 1 1HD ARG 1 -8.412 -5.075 14.895
11 HE ARG 1 HE ARG 1 -6.116 -3.783 13.470
12 1HH1 ARG 1 1HH1 ARG 1 -7.649 -2.646 15.913
13 2HH1 ARG 1 2HH1 ARG 1 -6.526 -3.015 17.180
14 1HH2 ARG 1 1HH2 ARG 1 -4.692 -5.248 15.263
15 2HH2 ARG 1 2HH2 ARG 1 -4.852 -4.489 16.811
16 H ARG 2 H ARG 2 -4.479 -8.670 10.771
17 HA ARG 2 HA ARG 2 -4.622 -10.297 9.062
18 1HB ARG 2 2HB ARG 2 -7.502 -9.537 9.607
19 2HB ARG 2 1HB ARG 2 -7.063 -10.860 8.526
20 1HG ARG 2 2HG ARG 2 -7.258 -12.027 10.517
21 2HG ARG 2 1HG ARG 2 -5.552 -11.585 10.589
22 1HD ARG 2 2HD ARG 2 -5.969 -9.790 12.104
23 2HD ARG 2 1HD ARG 2 -7.715 -9.831 11.785
24 HE ARG 2 HE ARG 2 -7.380 -12.333 12.693
25 1HH1 ARG 2 1HH2 ARG 2 -4.791 -10.605 13.653
26 2HH1 ARG 2 2HH2 ARG 2 -5.154 -10.577 15.346
27 1HH2 ARG 2 1HH1 ARG 2 -8.384 -11.772 14.944
28 2HH2 ARG 2 2HH1 ARG 2 -7.188 -11.237 16.077
29 H TRP 3 H TRP 3 -3.738 -9.572 7.150
30 HA TRP 3 HA TRP 3 -3.518 -8.317 5.139
31 1HB TRP 3 2HB TRP 3 -6.445 -9.084 4.982
32 2HB TRP 3 1HB TRP 3 -5.302 -8.936 3.647
33 HD1 TRP 3 HD TRP 3 -3.189 -10.728 3.714
34 HE1 TRP 3 1HE TRP 3 -3.198 -13.199 4.448
35 HE3 TRP 3 3HE TRP 3 -7.493 -10.819 6.460
36 HZ2 TRP 3 2HZ TRP 3 -4.814 -14.976 5.996
37 HZ3 TRP 3 3HZ TRP 3 -8.245 -12.912 7.551
38 HH2 TRP 3 HH TRP 3 -6.912 -14.991 7.322
39 H CYS 4 H CYS 4 -3.294 -6.160 6.056
40 HA CYS 4 HA CYS 4 -5.609 -4.411 5.443
41 1HB CYS 4 2HB CYS 4 -4.372 -4.882 8.155
42 2HB CYS 4 1HB CYS 4 -5.184 -3.361 7.787
43 H PHE 5 H PHE 5 -4.892 -2.470 4.623
44 HA PHE 5 HA PHE 5 -1.998 -1.777 5.021
45 1HB PHE 5 2HB PHE 5 -3.747 -1.931 2.573
46 2HB PHE 5 1HB PHE 5 -2.344 -0.862 2.589
47 HD1 PHE 5 1HD PHE 5 -0.092 -1.734 2.600
48 HD2 PHE 5 2HD PHE 5 -3.468 -4.379 2.830
49 HE1 PHE 5 1HE PHE 5 1.393 -3.669 2.149
50 HE2 PHE 5 2HE PHE 5 -1.984 -6.314 2.379
51 HZ PHE 5 HZ PHE 5 0.447 -5.959 2.038
52 H ARG 6 H ARG 6 -3.858 -0.642 6.721
53 HA ARG 6 HA ARG 6 -5.268 1.653 5.968
54 1HB ARG 6 2HB ARG 6 -5.019 2.280 8.276
55 2HB ARG 6 1HB ARG 6 -5.002 0.516 8.239
56 1HG ARG 6 2HG ARG 6 -2.404 0.820 8.000
57 2HG ARG 6 1HG ARG 6 -2.719 2.419 8.675
58 1HD ARG 6 2HD ARG 6 -4.134 1.038 10.450
59 2HD ARG 6 1HD ARG 6 -3.037 -0.269 9.962
60 HE ARG 6 HE ARG 6 -1.205 0.977 10.845
61 1HH1 ARG 6 1HH1 ARG 6 -3.905 2.024 12.316
62 2HH1 ARG 6 2HH1 ARG 6 -3.404 3.661 12.579
63 1HH2 ARG 6 1HH2 ARG 6 -0.638 3.428 10.501
64 2HH2 ARG 6 2HH2 ARG 6 -1.554 4.456 11.552
65 H VAL 7 H VAL 7 -4.673 3.783 5.455
66 HA VAL 7 HA VAL 7 -1.885 4.673 5.775
67 HB VAL 7 HB VAL 7 -3.180 3.983 3.139
68 1HG1 VAL 7 1HG1 VAL 7 -1.119 5.121 2.134
69 2HG1 VAL 7 2HG1 VAL 7 -0.913 5.904 3.701
70 3HG1 VAL 7 3HG1 VAL 7 -2.372 6.197 2.756
71 1HG2 VAL 7 1HG2 VAL 7 -0.634 3.160 2.959
72 2HG2 VAL 7 2HG2 VAL 7 -1.878 2.171 3.723
73 3HG2 VAL 7 3HG2 VAL 7 -0.790 3.141 4.716
74 H CYS 8 H CYS 8 -2.163 6.737 6.495
75 HA CYS 8 HA CYS 8 -4.568 8.273 5.669
76 1HB CYS 8 2HB CYS 8 -2.488 8.398 7.831
77 2HB CYS 8 1HB CYS 8 -3.411 9.852 7.451
78 H TYR 9 H TYR 9 -4.395 9.689 3.986
79 HA TYR 9 HA TYR 9 -1.679 10.782 3.325
80 1HB TYR 9 2HB TYR 9 -3.896 9.594 1.804
81 2HB TYR 9 1HB TYR 9 -3.294 11.097 1.104
82 HD1 TYR 9 1HD TYR 9 -0.455 11.074 1.780
83 HD2 TYR 9 2HD TYR 9 -2.993 7.843 0.526
84 HE1 TYR 9 1HE TYR 9 1.520 9.868 0.887
85 HE2 TYR 9 2HE TYR 9 -1.018 6.637 -0.367
86 HH TYR 9 HH TYR 9 2.077 7.335 0.437
87 H ARG 10 H ARG 10 -2.072 12.579 4.843
88 HA ARG 10 HA ARG 10 -2.742 14.783 5.325
89 1HB ARG 10 2HB ARG 10 -3.018 14.393 2.373
90 2HB ARG 10 1HB ARG 10 -3.678 15.873 3.069
91 1HG ARG 10 2HG ARG 10 -0.856 14.909 3.595
92 2HG ARG 10 1HG ARG 10 -1.267 16.051 2.315
93 1HD ARG 10 2HD ARG 10 -1.693 17.766 3.798
94 2HD ARG 10 1HD ARG 10 -2.296 16.665 5.053
95 HE ARG 10 HE ARG 10 0.465 16.102 4.619
96 1HH1 ARG 10 1HH1 ARG 10 -1.231 16.937 7.150
97 2HH1 ARG 10 2HH1 ARG 10 -0.255 18.253 7.714
98 1HH2 ARG 10 1HH2 ARG 10 1.574 18.503 4.779
99 2HH2 ARG 10 2HH2 ARG 10 1.332 19.139 6.372
100 H GLY 11 H GLY 11 -4.655 12.680 5.879
101 1HA GLY 11 2HA GLY 11 -6.857 13.212 6.886
102 2HA GLY 11 1HA GLY 11 -7.188 14.218 5.474
103 H PHE 12 H PHE 12 -6.026 12.204 3.622
104 HA PHE 12 HA PHE 12 -8.450 10.581 3.286
105 1HB PHE 12 2HB PHE 12 -6.752 11.792 1.595
106 2HB PHE 12 1HB PHE 12 -5.980 10.207 1.649
107 HD1 PHE 12 1HD PHE 12 -7.990 8.247 1.772
108 HD2 PHE 12 2HD PHE 12 -8.146 12.033 -0.252
109 HE1 PHE 12 1HE PHE 12 -9.717 7.353 0.232
110 HE2 PHE 12 2HE PHE 12 -9.873 11.140 -1.791
111 HZ PHE 12 HZ PHE 12 -10.658 8.800 -1.550
112 H CYS 13 H CYS 13 -8.412 9.051 5.014
113 HA CYS 13 HA CYS 13 -6.037 7.242 5.168
114 1HB CYS 13 2HB CYS 13 -8.410 7.694 7.005
115 2HB CYS 13 1HB CYS 13 -7.039 6.642 7.357
116 H TYR 14 H TYR 14 -6.223 5.144 4.475
117 HA TYR 14 HA TYR 14 -8.971 4.024 4.105
118 1HB TYR 14 2HB TYR 14 -8.626 3.627 1.843
119 2HB TYR 14 1HB TYR 14 -7.703 5.113 2.039
120 HD1 TYR 14 1HD TYR 14 -5.353 5.158 1.672
121 HD2 TYR 14 2HD TYR 14 -7.414 1.399 1.941
122 HE1 TYR 14 1HE TYR 14 -3.311 3.983 0.897
123 HE2 TYR 14 2HE TYR 14 -5.371 0.224 1.168
124 HH TYR 14 HH TYR 14 -2.789 1.785 -0.269
125 H ARG 15 H ARG 15 -9.049 2.128 5.205
126 HA ARG 15 HA ARG 15 -6.571 0.438 5.319
127 1HB ARG 15 2HB ARG 15 -6.820 1.435 7.460
128 2HB ARG 15 1HB ARG 15 -8.574 1.260 7.427
129 1HG ARG 15 2HG ARG 15 -7.355 -1.330 7.114
130 2HG ARG 15 1HG ARG 15 -6.688 -0.537 8.541
131 1HD ARG 15 2HD ARG 15 -9.340 0.069 8.825
132 2HD ARG 15 1HD ARG 15 -9.434 -1.532 8.064
133 HE ARG 15 HE ARG 15 -7.498 -1.946 9.932
134 1HH1 ARG 15 1HH1 ARG 15 -9.060 0.557 11.091
135 2HH1 ARG 15 2HH1 ARG 15 -10.005 -0.249 12.299
136 1HH2 ARG 15 1HH2 ARG 15 -9.372 -3.424 11.053
137 2HH2 ARG 15 2HH2 ARG 15 -10.182 -2.503 12.277
138 H LYS 16 H LYS 16 -7.029 -1.381 4.134
139 HA LYS 16 HA LYS 16 -9.797 -2.323 3.791
140 1HB LYS 16 2HB LYS 16 -8.010 -2.241 2.010
141 2HB LYS 16 1HB LYS 16 -7.157 -3.513 2.887
142 1HG LYS 16 2HG LYS 16 -9.400 -4.814 2.754
143 2HG LYS 16 1HG LYS 16 -9.823 -3.660 1.489
144 1HD LYS 16 2HD LYS 16 -8.059 -4.362 0.089
145 2HD LYS 16 1HD LYS 16 -7.201 -5.145 1.415
146 1HE LYS 16 2HE LYS 16 -8.157 -7.061 0.607
147 2HE LYS 16 1HE LYS 16 -9.621 -6.480 1.427
148 1HZ LYS 16 1HZ LYS 16 -10.414 -6.588 -0.690
149 2HZ LYS 16 2HZ LYS 16 -8.894 -6.330 -1.404
150 3HZ LYS 16 3HZ LYS 16 -9.760 -5.024 -0.748
151 H CYS 17 H CYS 17 -10.687 -3.590 5.372
152 HA CYS 17 HA CYS 17 -9.100 -5.857 6.454
153 1HB CYS 17 2HB CYS 17 -10.411 -3.677 8.113
154 2HB CYS 17 1HB CYS 17 -9.697 -5.148 8.773
155 H ARG 18 H ARG 18 -10.443 -7.592 6.171
156 HA ARG 18 HA ARG 18 -13.371 -7.218 6.713
157 1HB ARG 18 2HB ARG 18 -11.946 -7.933 4.300
158 2HB ARG 18 1HB ARG 18 -12.996 -9.264 4.791
159 1HG ARG 18 2HG ARG 18 -13.944 -6.393 4.635
160 2HG ARG 18 1HG ARG 18 -14.085 -7.526 3.289
161 1HD ARG 18 2HD ARG 18 -15.162 -9.061 5.226
162 2HD ARG 18 1HD ARG 18 -15.585 -7.460 5.864
163 HE ARG 18 HE ARG 18 -16.293 -8.389 3.106
164 1HH1 ARG 18 1HH2 ARG 18 -17.465 -7.366 6.081
165 2HH1 ARG 18 2HH2 ARG 18 -18.597 -6.222 5.440
166 1HH2 ARG 18 1HH1 ARG 18 -17.442 -6.503 2.183
167 2HH2 ARG 18 2HH1 ARG 18 -18.584 -5.733 3.234
168 1HN NH2 19 1H ARG 18 -13.615 -8.406 8.656
169 2HN NH2 19 2H ARG 18 -13.035 -9.983 8.897
Start of MODEL 14
1 1H ARG 1 1HT ARG 1 -3.424 -5.739 6.240
2 2H ARG 1 2HT ARG 1 -2.450 -5.319 4.913
3 3H ARG 1 3HT ARG 1 -1.780 -5.392 6.473
4 HA ARG 1 HA ARG 1 -1.204 -7.354 5.092
5 1HB ARG 1 2HB ARG 1 -1.349 -7.233 7.609
6 2HB ARG 1 1HB ARG 1 -2.991 -7.866 7.489
7 1HG ARG 1 2HG ARG 1 -1.204 -9.490 5.910
8 2HG ARG 1 1HG ARG 1 -0.587 -9.354 7.556
9 1HD ARG 1 2HD ARG 1 -3.463 -9.748 7.596
10 2HD ARG 1 1HD ARG 1 -2.662 -11.050 6.694
11 HE ARG 1 HE ARG 1 -2.294 -10.465 9.547
12 1HH1 ARG 1 1HH1 ARG 1 -2.439 -13.210 8.267
13 2HH1 ARG 1 2HH1 ARG 1 -0.794 -13.736 8.395
14 1HH2 ARG 1 1HH2 ARG 1 0.449 -10.563 9.034
15 2HH2 ARG 1 2HH2 ARG 1 0.841 -12.237 8.829
16 H ARG 2 H ARG 2 -2.619 -7.228 3.107
17 HA ARG 2 HA ARG 2 -4.219 -8.238 1.688
18 1HB ARG 2 2HB ARG 2 -3.191 -10.149 3.270
19 2HB ARG 2 1HB ARG 2 -4.860 -10.211 3.837
20 1HG ARG 2 2HG ARG 2 -5.261 -11.541 2.054
21 2HG ARG 2 1HG ARG 2 -5.135 -10.077 1.080
22 1HD ARG 2 2HD ARG 2 -2.665 -11.647 1.838
23 2HD ARG 2 1HD ARG 2 -3.618 -12.061 0.398
24 HE ARG 2 HE ARG 2 -3.337 -9.356 0.124
25 1HH1 ARG 2 1HH2 ARG 2 -1.777 -11.167 -1.642
26 2HH1 ARG 2 2HH2 ARG 2 -0.141 -10.718 -1.293
27 1HH2 ARG 2 1HH1 ARG 2 -0.940 -9.080 1.656
28 2HH2 ARG 2 2HH1 ARG 2 0.333 -9.536 0.574
29 H TRP 3 H TRP 3 -6.274 -7.491 1.329
30 HA TRP 3 HA TRP 3 -8.471 -6.733 1.765
31 1HB TRP 3 2HB TRP 3 -8.178 -8.270 4.355
32 2HB TRP 3 1HB TRP 3 -9.647 -7.996 3.419
33 HD1 TRP 3 HD TRP 3 -7.988 -10.839 4.215
34 HE1 TRP 3 1HE TRP 3 -7.680 -12.521 2.286
35 HE3 TRP 3 3HE TRP 3 -8.760 -7.752 0.220
36 HZ2 TRP 3 2HZ TRP 3 -7.750 -12.553 -0.573
37 HZ3 TRP 3 3HZ TRP 3 -8.634 -8.634 -2.092
38 HH2 TRP 3 HH TRP 3 -8.130 -11.028 -2.494
39 H CYS 4 H CYS 4 -8.899 -4.661 2.404
40 HA CYS 4 HA CYS 4 -8.999 -2.726 3.811
41 1HB CYS 4 2HB CYS 4 -9.265 -4.893 5.436
42 2HB CYS 4 1HB CYS 4 -7.781 -4.198 6.086
43 H PHE 5 H PHE 5 -7.530 -1.066 4.070
44 HA PHE 5 HA PHE 5 -4.620 -1.804 4.160
45 1HB PHE 5 2HB PHE 5 -6.140 0.293 2.589
46 2HB PHE 5 1HB PHE 5 -4.382 0.304 2.738
47 HD1 PHE 5 1HD PHE 5 -7.279 -1.363 1.243
48 HD2 PHE 5 2HD PHE 5 -3.023 -1.537 1.795
49 HE1 PHE 5 1HE PHE 5 -7.113 -3.043 -0.574
50 HE2 PHE 5 2HE PHE 5 -2.856 -3.216 -0.022
51 HZ PHE 5 HZ PHE 5 -4.901 -3.969 -1.207
52 H ARG 6 H ARG 6 -3.543 0.694 4.502
53 HA ARG 6 HA ARG 6 -4.939 2.215 6.580
54 1HB ARG 6 2HB ARG 6 -4.228 0.197 7.795
55 2HB ARG 6 1HB ARG 6 -2.570 0.430 7.235
56 1HG ARG 6 2HG ARG 6 -3.189 2.887 8.347
57 2HG ARG 6 1HG ARG 6 -4.000 1.753 9.428
58 1HD ARG 6 2HD ARG 6 -1.961 1.484 10.410
59 2HD ARG 6 1HD ARG 6 -1.522 0.554 8.963
60 HE ARG 6 HE ARG 6 -1.301 3.451 8.608
61 1HH1 ARG 6 1HH2 ARG 6 0.242 0.869 10.231
62 2HH1 ARG 6 2HH2 ARG 6 1.836 1.293 9.699
63 1HH2 ARG 6 1HH1 ARG 6 0.754 3.867 7.643
64 2HH2 ARG 6 2HH1 ARG 6 2.125 2.990 8.235
65 H VAL 7 H VAL 7 -4.287 3.744 4.762
66 HA VAL 7 HA VAL 7 -1.511 4.759 5.248
67 HB VAL 7 HB VAL 7 -2.977 4.197 2.662
68 1HG1 VAL 7 1HG1 VAL 7 -0.472 5.858 3.080
69 2HG1 VAL 7 2HG1 VAL 7 -2.029 6.460 2.513
70 3HG1 VAL 7 3HG1 VAL 7 -1.100 5.343 1.515
71 1HG2 VAL 7 1HG2 VAL 7 -0.138 3.522 2.920
72 2HG2 VAL 7 2HG2 VAL 7 -1.495 2.498 2.446
73 3HG2 VAL 7 3HG2 VAL 7 -1.132 2.747 4.155
74 H CYS 8 H CYS 8 -2.079 6.627 6.380
75 HA CYS 8 HA CYS 8 -4.386 8.264 5.619
76 1HB CYS 8 2HB CYS 8 -2.162 8.335 7.641
77 2HB CYS 8 1HB CYS 8 -3.118 9.791 7.370
78 H TYR 9 H TYR 9 -4.298 9.627 3.885
79 HA TYR 9 HA TYR 9 -1.657 10.615 2.931
80 1HB TYR 9 2HB TYR 9 -3.788 9.531 1.657
81 2HB TYR 9 1HB TYR 9 -4.207 11.240 1.534
82 HD1 TYR 9 1HD TYR 9 -3.623 12.080 -0.561
83 HD2 TYR 9 2HD TYR 9 -0.955 9.367 1.433
84 HE1 TYR 9 1HE TYR 9 -1.975 12.354 -2.393
85 HE2 TYR 9 2HE TYR 9 0.693 9.640 -0.400
86 HH TYR 9 HH TYR 9 0.020 11.789 -3.169
87 H ARG 10 H ARG 10 -2.507 11.807 5.353
88 HA ARG 10 HA ARG 10 -2.912 13.917 6.315
89 1HB ARG 10 2HB ARG 10 -1.854 14.460 3.541
90 2HB ARG 10 1HB ARG 10 -2.228 15.788 4.640
91 1HG ARG 10 2HG ARG 10 -0.518 13.496 5.582
92 2HG ARG 10 1HG ARG 10 0.201 14.803 4.639
93 1HD ARG 10 2HD ARG 10 -1.127 16.322 6.393
94 2HD ARG 10 1HD ARG 10 -0.938 14.875 7.405
95 HE ARG 10 HE ARG 10 1.449 15.923 5.965
96 1HH1 ARG 10 1HH2 ARG 10 -0.049 16.885 8.715
97 2HH1 ARG 10 2HH2 ARG 10 1.192 16.397 9.819
98 1HH2 ARG 10 1HH1 ARG 10 2.959 14.586 7.447
99 2HH2 ARG 10 2HH1 ARG 10 2.896 15.095 9.102
100 H GLY 11 H GLY 11 -5.289 12.763 5.617
101 1HA GLY 11 2HA GLY 11 -7.204 14.700 5.536
102 2HA GLY 11 1HA GLY 11 -6.805 14.529 3.825
103 H PHE 12 H PHE 12 -6.340 11.765 3.699
104 HA PHE 12 HA PHE 12 -8.881 10.527 4.671
105 1HB PHE 12 2HB PHE 12 -8.121 11.313 1.969
106 2HB PHE 12 1HB PHE 12 -8.480 9.589 2.063
107 HD1 PHE 12 1HD PHE 12 -10.010 12.335 1.016
108 HD2 PHE 12 2HD PHE 12 -10.521 9.443 4.152
109 HE1 PHE 12 1HE PHE 12 -12.438 12.840 1.088
110 HE2 PHE 12 2HE PHE 12 -12.947 9.949 4.224
111 HZ PHE 12 HZ PHE 12 -13.907 11.648 2.691
112 H CYS 13 H CYS 13 -8.459 8.511 5.502
113 HA CYS 13 HA CYS 13 -5.812 7.264 4.882
114 1HB CYS 13 2HB CYS 13 -7.052 7.894 7.246
115 2HB CYS 13 1HB CYS 13 -7.512 6.202 7.054
116 H TYR 14 H TYR 14 -5.741 5.261 3.914
117 HA TYR 14 HA TYR 14 -7.944 4.218 2.462
118 1HB TYR 14 2HB TYR 14 -5.179 3.656 2.981
119 2HB TYR 14 1HB TYR 14 -6.084 2.145 3.091
120 HD1 TYR 14 1HD TYR 14 -8.168 2.240 1.195
121 HD2 TYR 14 2HD TYR 14 -4.240 3.949 0.872
122 HE1 TYR 14 1HE TYR 14 -8.335 2.157 -1.277
123 HE2 TYR 14 2HE TYR 14 -4.407 3.866 -1.600
124 HH TYR 14 HH TYR 14 -6.557 2.041 -3.236
125 H ARG 15 H ARG 15 -9.714 3.112 3.189
126 HA ARG 15 HA ARG 15 -9.458 1.198 5.428
127 1HB ARG 15 2HB ARG 15 -10.479 3.918 5.648
128 2HB ARG 15 1HB ARG 15 -11.700 2.734 6.118
129 1HG ARG 15 2HG ARG 15 -10.636 2.354 8.061
130 2HG ARG 15 1HG ARG 15 -9.152 1.947 7.199
131 1HD ARG 15 2HD ARG 15 -8.246 4.032 7.514
132 2HD ARG 15 1HD ARG 15 -9.814 4.846 7.343
133 HE ARG 15 HE ARG 15 -10.346 4.147 9.653
134 1HH1 ARG 15 1HH1 ARG 15 -7.795 2.196 9.098
135 2HH1 ARG 15 2HH1 ARG 15 -6.820 2.717 10.431
136 1HH2 ARG 15 1HH2 ARG 15 -8.801 5.471 11.147
137 2HH2 ARG 15 2HH2 ARG 15 -7.390 4.572 11.591
138 H LYS 16 H LYS 16 -9.991 -0.024 3.306
139 HA LYS 16 HA LYS 16 -12.971 -0.132 2.975
140 1HB LYS 16 2HB LYS 16 -10.769 0.297 1.070
141 2HB LYS 16 1HB LYS 16 -11.895 -0.965 0.570
142 1HG LYS 16 2HG LYS 16 -13.548 1.061 1.535
143 2HG LYS 16 1HG LYS 16 -12.284 1.924 0.655
144 1HD LYS 16 2HD LYS 16 -12.728 0.729 -1.358
145 2HD LYS 16 1HD LYS 16 -13.713 -0.468 -0.517
146 1HE LYS 16 2HE LYS 16 -15.545 0.795 -0.931
147 2HE LYS 16 1HE LYS 16 -14.835 2.106 0.032
148 1HZ LYS 16 1HZ LYS 16 -15.022 3.014 -2.095
149 2HZ LYS 16 2HZ LYS 16 -14.536 1.579 -2.863
150 3HZ LYS 16 3HZ LYS 16 -13.402 2.521 -2.019
151 H CYS 17 H CYS 17 -13.587 -2.081 3.822
152 HA CYS 17 HA CYS 17 -12.661 -4.585 2.772
153 1HB CYS 17 2HB CYS 17 -11.403 -5.316 4.822
154 2HB CYS 17 1HB CYS 17 -10.616 -3.992 3.963
155 H ARG 18 H ARG 18 -14.047 -6.247 3.465
156 HA ARG 18 HA ARG 18 -15.932 -7.211 4.514
157 1HB ARG 18 2HB ARG 18 -14.203 -6.623 6.406
158 2HB ARG 18 1HB ARG 18 -15.373 -5.372 6.829
159 1HG ARG 18 2HG ARG 18 -16.992 -7.568 6.482
160 2HG ARG 18 1HG ARG 18 -15.541 -8.289 7.180
161 1HD ARG 18 2HD ARG 18 -15.841 -6.049 8.748
162 2HD ARG 18 1HD ARG 18 -17.527 -6.509 8.438
163 HE ARG 18 HE ARG 18 -16.105 -8.893 8.997
164 1HH1 ARG 18 1HH1 ARG 18 -18.546 -8.200 10.499
165 2HH1 ARG 18 2HH1 ARG 18 -17.947 -7.891 12.094
166 1HH2 ARG 18 1HH2 ARG 18 -14.654 -7.523 11.075
167 2HH2 ARG 18 2HH2 ARG 18 -15.743 -7.508 12.421
168 1HN NH2 19 1H ARG 18 -18.218 -6.676 4.980
169 2HN NH2 19 2H ARG 18 -18.822 -5.112 4.718
Start of MODEL 15
1 1H ARG 1 1HT ARG 1 0.776 -5.430 5.475
2 2H ARG 1 2HT ARG 1 -0.435 -4.275 5.762
3 3H ARG 1 3HT ARG 1 0.716 -4.017 4.539
4 HA ARG 1 HA ARG 1 -1.469 -4.732 3.651
5 1HB ARG 1 2HB ARG 1 -0.378 -6.463 2.210
6 2HB ARG 1 1HB ARG 1 0.648 -5.049 2.459
7 1HG ARG 1 2HG ARG 1 0.974 -7.129 4.515
8 2HG ARG 1 1HG ARG 1 1.435 -7.651 2.894
9 1HD ARG 1 2HD ARG 1 2.398 -4.949 3.497
10 2HD ARG 1 1HD ARG 1 3.046 -6.171 4.609
11 HE ARG 1 HE ARG 1 3.162 -7.312 2.038
12 1HH1 ARG 1 1HH1 ARG 1 5.110 -5.808 4.250
13 2HH1 ARG 1 2HH1 ARG 1 6.277 -5.214 3.117
14 1HH2 ARG 1 1HH2 ARG 1 4.380 -6.026 0.331
15 2HH2 ARG 1 2HH2 ARG 1 5.864 -5.337 0.898
16 H ARG 2 H ARG 2 -2.428 -5.426 5.968
17 HA ARG 2 HA ARG 2 -3.077 -8.318 5.717
18 1HB ARG 2 2HB ARG 2 -1.263 -7.149 7.612
19 2HB ARG 2 1HB ARG 2 -2.681 -7.740 8.481
20 1HG ARG 2 2HG ARG 2 -2.204 -9.919 8.033
21 2HG ARG 2 1HG ARG 2 -1.676 -9.564 6.387
22 1HD ARG 2 2HD ARG 2 0.510 -8.969 7.091
23 2HD ARG 2 1HD ARG 2 0.003 -8.785 8.782
24 HE ARG 2 HE ARG 2 -0.621 -11.366 8.425
25 1HH1 ARG 2 1HH1 ARG 2 2.262 -9.722 8.682
26 2HH1 ARG 2 2HH1 ARG 2 3.266 -11.005 8.095
27 1HH2 ARG 2 1HH2 ARG 2 0.604 -12.980 7.076
28 2HH2 ARG 2 2HH2 ARG 2 2.327 -12.850 7.185
29 H TRP 3 H TRP 3 -5.257 -8.548 5.965
30 HA TRP 3 HA TRP 3 -7.508 -7.846 6.301
31 1HB TRP 3 2HB TRP 3 -6.359 -7.181 9.021
32 2HB TRP 3 1HB TRP 3 -7.947 -7.855 8.650
33 HD1 TRP 3 HD TRP 3 -7.802 -10.358 7.337
34 HE1 TRP 3 1HE TRP 3 -6.269 -12.343 7.934
35 HE3 TRP 3 3HE TRP 3 -4.228 -7.924 10.053
36 HZ2 TRP 3 2HZ TRP 3 -3.848 -12.830 9.368
37 HZ3 TRP 3 3HZ TRP 3 -2.319 -9.173 11.024
38 HH2 TRP 3 HH TRP 3 -2.126 -11.622 10.686
39 H CYS 4 H CYS 4 -7.593 -5.923 4.972
40 HA CYS 4 HA CYS 4 -8.033 -3.598 4.651
41 1HB CYS 4 2HB CYS 4 -8.668 -4.330 7.401
42 2HB CYS 4 1HB CYS 4 -8.168 -2.642 7.282
43 H PHE 5 H PHE 5 -6.644 -1.904 4.268
44 HA PHE 5 HA PHE 5 -3.945 -2.018 5.496
45 1HB PHE 5 2HB PHE 5 -4.994 -0.152 3.356
46 2HB PHE 5 1HB PHE 5 -3.328 -0.658 3.627
47 HD1 PHE 5 1HD PHE 5 -3.253 -3.453 3.821
48 HD2 PHE 5 2HD PHE 5 -5.915 -1.074 1.431
49 HE1 PHE 5 1HE PHE 5 -3.586 -5.370 2.283
50 HE2 PHE 5 2HE PHE 5 -6.248 -2.991 -0.106
51 HZ PHE 5 HZ PHE 5 -5.083 -5.139 0.319
52 H ARG 6 H ARG 6 -3.376 0.787 5.153
53 HA ARG 6 HA ARG 6 -5.231 2.498 6.518
54 1HB ARG 6 2HB ARG 6 -4.413 0.587 8.183
55 2HB ARG 6 1HB ARG 6 -3.020 1.657 8.356
56 1HG ARG 6 2HG ARG 6 -4.579 3.538 8.870
57 2HG ARG 6 1HG ARG 6 -5.924 2.397 8.815
58 1HD ARG 6 2HD ARG 6 -5.498 2.210 11.068
59 2HD ARG 6 1HD ARG 6 -4.221 1.102 10.528
60 HE ARG 6 HE ARG 6 -3.692 4.033 10.832
61 1HH1 ARG 6 1HH1 ARG 6 -3.363 1.019 12.313
62 2HH1 ARG 6 2HH1 ARG 6 -1.671 1.179 12.647
63 1HH2 ARG 6 1HH2 ARG 6 -1.324 4.123 10.847
64 2HH2 ARG 6 2HH2 ARG 6 -0.517 2.937 11.817
65 H VAL 7 H VAL 7 -4.195 3.718 4.690
66 HA VAL 7 HA VAL 7 -1.526 4.838 5.486
67 HB VAL 7 HB VAL 7 -2.748 4.521 2.726
68 1HG1 VAL 7 1HG1 VAL 7 -0.772 6.242 3.536
69 2HG1 VAL 7 2HG1 VAL 7 -0.910 5.582 1.906
70 3HG1 VAL 7 3HG1 VAL 7 0.167 4.821 3.077
71 1HG2 VAL 7 1HG2 VAL 7 -1.579 2.528 2.477
72 2HG2 VAL 7 2HG2 VAL 7 -1.999 2.431 4.187
73 3HG2 VAL 7 3HG2 VAL 7 -0.386 2.954 3.704
74 H CYS 8 H CYS 8 -2.294 6.691 6.576
75 HA CYS 8 HA CYS 8 -4.454 8.345 5.549
76 1HB CYS 8 2HB CYS 8 -2.362 8.511 7.706
77 2HB CYS 8 1HB CYS 8 -3.342 9.927 7.329
78 H TYR 9 H TYR 9 -4.244 9.671 3.801
79 HA TYR 9 HA TYR 9 -1.536 10.563 2.953
80 1HB TYR 9 2HB TYR 9 -3.898 9.681 1.696
81 2HB TYR 9 1HB TYR 9 -3.782 11.399 1.311
82 HD1 TYR 9 1HD TYR 9 -1.381 12.239 0.596
83 HD2 TYR 9 2HD TYR 9 -2.688 8.151 0.409
84 HE1 TYR 9 1HE TYR 9 0.390 11.749 -1.069
85 HE2 TYR 9 2HE TYR 9 -0.916 7.662 -1.256
86 HH TYR 9 HH TYR 9 1.563 8.971 -1.740
87 H ARG 10 H ARG 10 -2.660 11.777 5.341
88 HA ARG 10 HA ARG 10 -2.873 13.939 6.249
89 1HB ARG 10 2HB ARG 10 -1.454 14.122 3.730
90 2HB ARG 10 1HB ARG 10 -2.424 15.572 3.989
91 1HG ARG 10 2HG ARG 10 -0.560 14.398 6.068
92 2HG ARG 10 1HG ARG 10 -0.116 15.713 4.978
93 1HD ARG 10 2HD ARG 10 -1.101 17.196 6.376
94 2HD ARG 10 1HD ARG 10 -2.649 16.347 6.186
95 HE ARG 10 HE ARG 10 -2.101 14.984 8.110
96 1HH1 ARG 10 1HH2 ARG 10 0.953 15.403 7.302
97 2HH1 ARG 10 2HH2 ARG 10 1.516 16.123 8.774
98 1HH2 ARG 10 1HH1 ARG 10 -1.667 16.738 10.003
99 2HH2 ARG 10 2HH1 ARG 10 0.033 16.879 10.303
100 H GLY 11 H GLY 11 -5.269 12.754 5.588
101 1HA GLY 11 2HA GLY 11 -7.176 14.719 5.538
102 2HA GLY 11 1HA GLY 11 -6.830 14.495 3.822
103 H PHE 12 H PHE 12 -6.400 11.741 3.730
104 HA PHE 12 HA PHE 12 -8.875 10.515 4.864
105 1HB PHE 12 2HB PHE 12 -8.715 11.539 2.309
106 2HB PHE 12 1HB PHE 12 -8.298 9.844 2.053
107 HD1 PHE 12 1HD PHE 12 -10.066 8.396 1.630
108 HD2 PHE 12 2HD PHE 12 -10.736 11.849 4.096
109 HE1 PHE 12 1HE PHE 12 -12.456 7.775 1.850
110 HE2 PHE 12 2HE PHE 12 -13.127 11.226 4.317
111 HZ PHE 12 HZ PHE 12 -13.987 9.189 3.194
112 H CYS 13 H CYS 13 -8.491 8.415 5.518
113 HA CYS 13 HA CYS 13 -5.819 7.244 4.877
114 1HB CYS 13 2HB CYS 13 -7.273 7.638 7.223
115 2HB CYS 13 1HB CYS 13 -7.480 5.919 6.888
116 H TYR 14 H TYR 14 -5.671 5.318 3.774
117 HA TYR 14 HA TYR 14 -7.927 4.325 2.278
118 1HB TYR 14 2HB TYR 14 -5.072 3.964 2.514
119 2HB TYR 14 1HB TYR 14 -5.859 2.390 2.402
120 HD1 TYR 14 1HD TYR 14 -6.615 1.582 0.327
121 HD2 TYR 14 2HD TYR 14 -5.780 5.769 0.798
122 HE1 TYR 14 1HE TYR 14 -6.958 1.924 -2.105
123 HE2 TYR 14 2HE TYR 14 -6.123 6.111 -1.635
124 HH TYR 14 HH TYR 14 -6.622 3.386 -3.819
125 H ARG 15 H ARG 15 -9.265 2.555 2.702
126 HA ARG 15 HA ARG 15 -8.668 0.815 5.038
127 1HB ARG 15 2HB ARG 15 -10.735 2.933 4.821
128 2HB ARG 15 1HB ARG 15 -11.287 1.400 5.498
129 1HG ARG 15 2HG ARG 15 -10.291 1.882 7.454
130 2HG ARG 15 1HG ARG 15 -8.734 2.035 6.639
131 1HD ARG 15 2HD ARG 15 -9.086 4.175 7.623
132 2HD ARG 15 1HD ARG 15 -9.587 4.400 5.936
133 HE ARG 15 HE ARG 15 -11.570 3.696 8.067
134 1HH1 ARG 15 1HH1 ARG 15 -10.474 6.483 6.767
135 2HH1 ARG 15 2HH1 ARG 15 -11.942 6.952 5.976
136 1HH2 ARG 15 1HH2 ARG 15 -13.484 3.880 6.444
137 2HH2 ARG 15 2HH2 ARG 15 -13.647 5.478 5.794
138 H LYS 16 H LYS 16 -8.442 -0.658 3.084
139 HA LYS 16 HA LYS 16 -11.132 -1.590 2.129
140 1HB LYS 16 2HB LYS 16 -9.698 -0.549 0.399
141 2HB LYS 16 1HB LYS 16 -8.410 -1.691 0.785
142 1HG LYS 16 2HG LYS 16 -9.369 -2.866 -0.938
143 2HG LYS 16 1HG LYS 16 -10.415 -3.439 0.363
144 1HD LYS 16 2HD LYS 16 -12.143 -1.913 -0.208
145 2HD LYS 16 1HD LYS 16 -11.069 -0.955 -1.227
146 1HE LYS 16 2HE LYS 16 -10.811 -3.070 -2.676
147 2HE LYS 16 1HE LYS 16 -12.218 -3.697 -1.793
148 1HZ LYS 16 1HZ LYS 16 -12.380 -0.945 -2.734
149 2HZ LYS 16 2HZ LYS 16 -13.587 -2.138 -2.661
150 3HZ LYS 16 3HZ LYS 16 -12.457 -2.146 -3.929
151 H CYS 17 H CYS 17 -11.550 -3.353 3.431
152 HA CYS 17 HA CYS 17 -9.490 -5.120 4.461
153 1HB CYS 17 2HB CYS 17 -12.491 -5.003 4.351
154 2HB CYS 17 1HB CYS 17 -11.709 -6.487 4.896
155 H ARG 18 H ARG 18 -8.832 -7.121 3.643
156 HA ARG 18 HA ARG 18 -8.572 -8.873 2.075
157 1HB ARG 18 2HB ARG 18 -11.092 -8.900 2.652
158 2HB ARG 18 1HB ARG 18 -11.324 -8.079 1.108
159 1HG ARG 18 2HG ARG 18 -9.913 -10.739 1.480
160 2HG ARG 18 1HG ARG 18 -11.556 -10.534 0.871
161 1HD ARG 18 2HD ARG 18 -10.500 -8.992 -0.925
162 2HD ARG 18 1HD ARG 18 -8.958 -9.730 -0.447
163 HE ARG 18 HE ARG 18 -10.650 -11.901 -0.743
164 1HH1 ARG 18 1HH1 ARG 18 -8.466 -10.365 -2.613
165 2HH1 ARG 18 2HH1 ARG 18 -9.210 -10.691 -4.142
166 1HH2 ARG 18 1HH2 ARG 18 -12.177 -11.833 -2.755
167 2HH2 ARG 18 2HH2 ARG 18 -11.311 -11.522 -4.222
168 1HN NH2 19 1H ARG 18 -6.974 -8.006 0.632
169 2HN NH2 19 2H ARG 18 -7.357 -7.116 -0.761
Start of MODEL 16
1 1H ARG 1 1HT ARG 1 -17.272 4.366 14.584
2 2H ARG 1 2HT ARG 1 -16.476 4.186 13.095
3 3H ARG 1 3HT ARG 1 -16.958 5.727 13.623
4 HA ARG 1 HA ARG 1 -14.583 5.476 13.954
5 1HB ARG 1 2HB ARG 1 -16.588 5.667 16.162
6 2HB ARG 1 1HB ARG 1 -14.884 5.622 16.614
7 1HG ARG 1 2HG ARG 1 -14.607 7.762 15.979
8 2HG ARG 1 1HG ARG 1 -15.255 7.408 14.377
9 1HD ARG 1 2HD ARG 1 -16.990 7.897 16.824
10 2HD ARG 1 1HD ARG 1 -16.606 9.134 15.611
11 HE ARG 1 HE ARG 1 -18.011 6.571 14.948
12 1HH1 ARG 1 1HH1 ARG 1 -18.633 9.795 15.261
13 2HH1 ARG 1 2HH1 ARG 1 -19.185 10.055 13.639
14 1HH2 ARG 1 1HH2 ARG 1 -18.156 6.944 12.507
15 2HH2 ARG 1 2HH2 ARG 1 -18.915 8.441 12.081
16 H ARG 2 H ARG 2 -13.398 3.599 13.570
17 HA ARG 2 HA ARG 2 -13.219 1.645 15.788
18 1HB ARG 2 2HB ARG 2 -14.157 1.036 12.972
19 2HB ARG 2 1HB ARG 2 -13.568 -0.214 14.070
20 1HG ARG 2 2HG ARG 2 -15.303 0.876 15.741
21 2HG ARG 2 1HG ARG 2 -16.057 1.448 14.252
22 1HD ARG 2 2HD ARG 2 -15.390 -1.285 13.824
23 2HD ARG 2 1HD ARG 2 -16.194 -1.183 15.404
24 HE ARG 2 HE ARG 2 -18.062 0.003 14.286
25 1HH1 ARG 2 1HH1 ARG 2 -17.167 -2.706 12.856
26 2HH1 ARG 2 2HH1 ARG 2 -17.517 -2.263 11.218
27 1HH2 ARG 2 1HH2 ARG 2 -17.880 1.112 11.930
28 2HH2 ARG 2 2HH2 ARG 2 -17.920 -0.101 10.695
29 H TRP 3 H TRP 3 -11.252 0.411 15.677
30 HA TRP 3 HA TRP 3 -8.994 1.729 14.543
31 1HB TRP 3 2HB TRP 3 -7.868 -0.449 15.189
32 2HB TRP 3 1HB TRP 3 -8.831 0.277 16.474
33 HD1 TRP 3 HD TRP 3 -8.773 -2.658 14.050
34 HE1 TRP 3 1HE TRP 3 -10.546 -4.382 14.775
35 HE3 TRP 3 3HE TRP 3 -11.118 -0.017 17.743
36 HZ2 TRP 3 2HZ TRP 3 -12.672 -4.615 16.670
37 HZ3 TRP 3 3HZ TRP 3 -13.011 -1.016 18.991
38 HH2 TRP 3 HH TRP 3 -13.790 -3.309 18.461
39 H CYS 4 H CYS 4 -9.845 1.970 12.272
40 HA CYS 4 HA CYS 4 -9.056 -0.408 10.634
41 1HB CYS 4 2HB CYS 4 -11.482 1.362 10.194
42 2HB CYS 4 1HB CYS 4 -11.048 -0.071 9.262
43 H PHE 5 H PHE 5 -7.397 0.277 9.354
44 HA PHE 5 HA PHE 5 -7.618 2.502 7.554
45 1HB PHE 5 2HB PHE 5 -5.822 3.889 8.767
46 2HB PHE 5 1HB PHE 5 -7.433 3.895 9.484
47 HD1 PHE 5 1HD PHE 5 -4.278 1.858 9.592
48 HD2 PHE 5 2HD PHE 5 -7.605 3.487 11.768
49 HE1 PHE 5 1HE PHE 5 -3.342 0.950 11.703
50 HE2 PHE 5 2HE PHE 5 -6.670 2.579 13.878
51 HZ PHE 5 HZ PHE 5 -4.538 1.311 13.845
52 H ARG 6 H ARG 6 -5.028 3.156 7.057
53 HA ARG 6 HA ARG 6 -3.113 1.020 7.287
54 1HB ARG 6 2HB ARG 6 -4.958 -0.003 5.881
55 2HB ARG 6 1HB ARG 6 -4.579 1.190 4.638
56 1HG ARG 6 2HG ARG 6 -2.485 0.263 4.195
57 2HG ARG 6 1HG ARG 6 -2.374 -0.496 5.784
58 1HD ARG 6 2HD ARG 6 -4.183 -2.082 5.136
59 2HD ARG 6 1HD ARG 6 -4.211 -1.354 3.518
60 HE ARG 6 HE ARG 6 -1.511 -2.017 4.163
61 1HH1 ARG 6 1HH2 ARG 6 -3.898 -2.869 2.086
62 2HH1 ARG 6 2HH2 ARG 6 -3.509 -4.554 1.989
63 1HH2 ARG 6 1HH1 ARG 6 -1.275 -4.462 4.640
64 2HH2 ARG 6 2HH1 ARG 6 -2.023 -5.455 3.434
65 H VAL 7 H VAL 7 -4.319 3.807 5.479
66 HA VAL 7 HA VAL 7 -1.553 4.835 5.264
67 HB VAL 7 HB VAL 7 -3.379 4.326 2.894
68 1HG1 VAL 7 1HG1 VAL 7 -2.078 5.723 1.687
69 2HG1 VAL 7 2HG1 VAL 7 -0.599 5.024 2.350
70 3HG1 VAL 7 3HG1 VAL 7 -1.439 6.306 3.223
71 1HG2 VAL 7 1HG2 VAL 7 -1.359 2.869 2.231
72 2HG2 VAL 7 2HG2 VAL 7 -2.399 2.249 3.513
73 3HG2 VAL 7 3HG2 VAL 7 -0.858 3.005 3.917
74 H CYS 8 H CYS 8 -1.800 6.873 6.084
75 HA CYS 8 HA CYS 8 -4.358 8.333 5.611
76 1HB CYS 8 2HB CYS 8 -2.110 8.400 7.593
77 2HB CYS 8 1HB CYS 8 -3.055 9.870 7.351
78 H TYR 9 H TYR 9 -4.278 9.511 3.734
79 HA TYR 9 HA TYR 9 -1.742 10.658 2.755
80 1HB TYR 9 2HB TYR 9 -3.483 9.572 1.314
81 2HB TYR 9 1HB TYR 9 -4.594 10.873 1.737
82 HD1 TYR 9 1HD TYR 9 -4.828 12.435 0.031
83 HD2 TYR 9 2HD TYR 9 -0.969 10.696 0.761
84 HE1 TYR 9 1HE TYR 9 -3.853 13.851 -1.755
85 HE2 TYR 9 2HE TYR 9 0.007 12.114 -1.025
86 HH TYR 9 HH TYR 9 -1.282 14.767 -2.176
87 H ARG 10 H ARG 10 -2.569 11.737 5.281
88 HA ARG 10 HA ARG 10 -2.815 13.839 6.312
89 1HB ARG 10 2HB ARG 10 -1.647 14.180 3.693
90 2HB ARG 10 1HB ARG 10 -2.678 15.563 4.061
91 1HG ARG 10 2HG ARG 10 -0.646 14.494 6.031
92 2HG ARG 10 1HG ARG 10 -0.251 15.741 4.847
93 1HD ARG 10 2HD ARG 10 -2.651 16.628 5.990
94 2HD ARG 10 1HD ARG 10 -1.703 16.010 7.358
95 HE ARG 10 HE ARG 10 -0.552 17.930 5.365
96 1HH1 ARG 10 1HH2 ARG 10 -1.802 17.714 8.467
97 2HH1 ARG 10 2HH2 ARG 10 -0.442 18.438 9.258
98 1HH2 ARG 10 1HH1 ARG 10 1.545 18.446 6.416
99 2HH2 ARG 10 2HH1 ARG 10 1.452 18.852 8.098
100 H GLY 11 H GLY 11 -5.199 12.499 5.685
101 1HA GLY 11 2HA GLY 11 -7.293 14.080 6.105
102 2HA GLY 11 1HA GLY 11 -6.975 14.516 4.425
103 H PHE 12 H PHE 12 -6.137 11.891 3.567
104 HA PHE 12 HA PHE 12 -8.787 10.490 3.657
105 1HB PHE 12 2HB PHE 12 -7.244 11.510 1.557
106 2HB PHE 12 1HB PHE 12 -6.957 9.771 1.500
107 HD1 PHE 12 1HD PHE 12 -9.157 8.292 1.879
108 HD2 PHE 12 2HD PHE 12 -9.111 12.338 0.436
109 HE1 PHE 12 1HE PHE 12 -11.391 7.953 0.859
110 HE2 PHE 12 2HE PHE 12 -11.346 11.999 -0.585
111 HZ PHE 12 HZ PHE 12 -12.486 9.806 -0.373
112 H CYS 13 H CYS 13 -8.401 9.008 5.356
113 HA CYS 13 HA CYS 13 -5.936 7.330 5.221
114 1HB CYS 13 2HB CYS 13 -8.106 7.740 7.303
115 2HB CYS 13 1HB CYS 13 -6.725 6.664 7.513
116 H TYR 14 H TYR 14 -6.056 5.148 4.767
117 HA TYR 14 HA TYR 14 -8.226 4.054 3.317
118 1HB TYR 14 2HB TYR 14 -5.656 3.314 4.285
119 2HB TYR 14 1HB TYR 14 -6.767 2.019 4.732
120 HD1 TYR 14 1HD TYR 14 -8.134 0.884 2.988
121 HD2 TYR 14 2HD TYR 14 -5.094 3.748 1.990
122 HE1 TYR 14 1HE TYR 14 -8.147 0.077 0.642
123 HE2 TYR 14 2HE TYR 14 -5.105 2.942 -0.358
124 HH TYR 14 HH TYR 14 -6.333 1.727 -1.877
125 H ARG 15 H ARG 15 -9.524 2.078 4.071
126 HA ARG 15 HA ARG 15 -10.369 2.378 6.935
127 1HB ARG 15 2HB ARG 15 -12.029 3.458 5.613
128 2HB ARG 15 1HB ARG 15 -11.957 2.210 4.368
129 1HG ARG 15 2HG ARG 15 -12.598 1.054 6.952
130 2HG ARG 15 1HG ARG 15 -13.750 2.319 6.526
131 1HD ARG 15 2HD ARG 15 -13.251 0.785 4.164
132 2HD ARG 15 1HD ARG 15 -13.622 -0.341 5.485
133 HE ARG 15 HE ARG 15 -15.821 0.498 5.439
134 1HH1 ARG 15 1HH2 ARG 15 -13.882 2.402 3.420
135 2HH1 ARG 15 2HH2 ARG 15 -14.941 3.772 3.422
136 1HH2 ARG 15 1HH1 ARG 15 -17.074 2.452 5.815
137 2HH2 ARG 15 2HH1 ARG 15 -16.748 3.800 4.778
138 H LYS 16 H LYS 16 -8.835 0.466 7.145
139 HA LYS 16 HA LYS 16 -10.267 -2.071 6.437
140 1HB LYS 16 2HB LYS 16 -8.356 -1.650 4.932
141 2HB LYS 16 1HB LYS 16 -7.294 -1.462 6.329
142 1HG LYS 16 2HG LYS 16 -7.904 -3.802 7.022
143 2HG LYS 16 1HG LYS 16 -8.779 -3.971 5.501
144 1HD LYS 16 2HD LYS 16 -6.245 -2.937 4.815
145 2HD LYS 16 1HD LYS 16 -5.941 -4.212 5.996
146 1HE LYS 16 2HE LYS 16 -6.094 -5.578 4.152
147 2HE LYS 16 1HE LYS 16 -7.839 -5.407 4.420
148 1HZ LYS 16 1HZ LYS 16 -7.430 -3.174 3.136
149 2HZ LYS 16 2HZ LYS 16 -7.691 -4.626 2.292
150 3HZ LYS 16 3HZ LYS 16 -6.113 -4.028 2.492
151 H CYS 17 H CYS 17 -10.901 -2.903 8.389
152 HA CYS 17 HA CYS 17 -9.562 -2.276 10.894
153 1HB CYS 17 2HB CYS 17 -11.573 -4.452 10.242
154 2HB CYS 17 1HB CYS 17 -11.294 -3.701 11.814
155 H ARG 18 H ARG 18 -8.209 -3.649 12.119
156 HA ARG 18 HA ARG 18 -6.752 -5.710 10.600
157 1HB ARG 18 2HB ARG 18 -6.529 -4.451 13.346
158 2HB ARG 18 1HB ARG 18 -5.438 -5.723 12.796
159 1HG ARG 18 2HG ARG 18 -5.744 -3.612 10.803
160 2HG ARG 18 1HG ARG 18 -5.127 -2.992 12.336
161 1HD ARG 18 2HD ARG 18 -3.133 -4.098 12.121
162 2HD ARG 18 1HD ARG 18 -3.901 -5.536 11.415
163 HE ARG 18 HE ARG 18 -4.221 -3.482 9.523
164 1HH1 ARG 18 1HH2 ARG 18 -1.931 -5.692 10.770
165 2HH1 ARG 18 2HH2 ARG 18 -0.702 -5.294 9.618
166 1HH2 ARG 18 1HH1 ARG 18 -2.518 -2.722 8.168
167 2HH2 ARG 18 2HH1 ARG 18 -1.034 -3.613 8.144
168 1HN NH2 19 1H ARG 18 -9.177 -6.864 10.729
169 2HN NH2 19 2H ARG 18 -9.301 -8.010 11.974
Start of MODEL 17
1 1H ARG 1 1HT ARG 1 -3.990 -14.633 6.648
2 2H ARG 1 2HT ARG 1 -4.272 -14.260 5.014
3 3H ARG 1 3HT ARG 1 -4.953 -15.658 5.699
4 HA ARG 1 HA ARG 1 -6.553 -13.765 5.416
5 1HB ARG 1 2HB ARG 1 -7.333 -14.138 7.840
6 2HB ARG 1 1HB ARG 1 -7.061 -15.587 6.872
7 1HG ARG 1 2HG ARG 1 -5.018 -16.069 7.941
8 2HG ARG 1 1HG ARG 1 -4.851 -14.425 8.558
9 1HD ARG 1 2HD ARG 1 -7.317 -15.454 9.566
10 2HD ARG 1 1HD ARG 1 -6.059 -16.671 9.863
11 HE ARG 1 HE ARG 1 -4.705 -14.527 10.654
12 1HH1 ARG 1 1HH2 ARG 1 -7.376 -16.058 11.915
13 2HH1 ARG 1 2HH2 ARG 1 -7.835 -14.783 12.993
14 1HH2 ARG 1 1HH1 ARG 1 -5.581 -12.500 11.678
15 2HH2 ARG 1 2HH1 ARG 1 -6.818 -12.769 12.859
16 H ARG 2 H ARG 2 -5.939 -11.600 5.134
17 HA ARG 2 HA ARG 2 -5.761 -9.901 7.451
18 1HB ARG 2 2HB ARG 2 -3.554 -10.964 7.600
19 2HB ARG 2 1HB ARG 2 -3.206 -10.510 5.933
20 1HG ARG 2 2HG ARG 2 -2.507 -8.475 6.589
21 2HG ARG 2 1HG ARG 2 -4.044 -8.179 7.401
22 1HD ARG 2 2HD ARG 2 -2.489 -8.067 9.178
23 2HD ARG 2 1HD ARG 2 -3.050 -9.749 9.270
24 HE ARG 2 HE ARG 2 -0.853 -9.549 7.423
25 1HH1 ARG 2 1HH1 ARG 2 -1.421 -11.495 9.793
26 2HH1 ARG 2 2HH1 ARG 2 0.000 -11.226 10.746
27 1HH2 ARG 2 1HH2 ARG 2 0.895 -8.325 9.070
28 2HH2 ARG 2 2HH2 ARG 2 1.311 -9.432 10.336
29 H TRP 3 H TRP 3 -6.860 -8.183 6.603
30 HA TRP 3 HA TRP 3 -6.006 -7.137 3.924
31 1HB TRP 3 2HB TRP 3 -8.868 -7.055 4.854
32 2HB TRP 3 1HB TRP 3 -8.239 -7.060 3.207
33 HD1 TRP 3 HD TRP 3 -8.068 -9.333 2.021
34 HE1 TRP 3 1HE TRP 3 -8.394 -11.789 2.738
35 HE3 TRP 3 3HE TRP 3 -8.586 -8.719 7.063
36 HZ2 TRP 3 2HZ TRP 3 -8.812 -13.288 5.137
37 HZ3 TRP 3 3HZ TRP 3 -8.946 -10.674 8.540
38 HH2 TRP 3 HH TRP 3 -9.062 -12.959 7.582
39 H CYS 4 H CYS 4 -4.806 -5.455 5.022
40 HA CYS 4 HA CYS 4 -6.549 -3.285 6.095
41 1HB CYS 4 2HB CYS 4 -5.010 -5.024 7.662
42 2HB CYS 4 1HB CYS 4 -4.037 -3.556 7.550
43 H PHE 5 H PHE 5 -5.901 -1.299 5.333
44 HA PHE 5 HA PHE 5 -3.321 -1.184 3.816
45 1HB PHE 5 2HB PHE 5 -5.903 0.403 3.649
46 2HB PHE 5 1HB PHE 5 -4.488 0.699 2.640
47 HD1 PHE 5 1HD PHE 5 -7.573 -0.919 2.715
48 HD2 PHE 5 2HD PHE 5 -3.488 -1.587 1.565
49 HE1 PHE 5 1HE PHE 5 -8.304 -2.705 1.158
50 HE2 PHE 5 2HE PHE 5 -4.219 -3.374 0.008
51 HZ PHE 5 HZ PHE 5 -6.626 -3.933 -0.196
52 H ARG 6 H ARG 6 -5.378 0.605 6.108
53 HA ARG 6 HA ARG 6 -4.889 2.550 7.392
54 1HB ARG 6 2HB ARG 6 -2.987 2.002 8.901
55 2HB ARG 6 1HB ARG 6 -4.052 0.618 8.656
56 1HG ARG 6 2HG ARG 6 -2.533 -0.389 7.100
57 2HG ARG 6 1HG ARG 6 -1.559 1.079 7.004
58 1HD ARG 6 2HD ARG 6 -1.281 0.733 9.603
59 2HD ARG 6 1HD ARG 6 -1.700 -0.948 9.218
60 HE ARG 6 HE ARG 6 0.767 0.399 8.451
61 1HH1 ARG 6 1HH1 ARG 6 0.070 -2.600 8.982
62 2HH1 ARG 6 2HH1 ARG 6 0.437 -3.266 7.427
63 1HH2 ARG 6 1HH2 ARG 6 0.537 -0.187 5.836
64 2HH2 ARG 6 2HH2 ARG 6 0.703 -1.900 5.645
65 H VAL 7 H VAL 7 -4.411 3.513 4.993
66 HA VAL 7 HA VAL 7 -1.616 4.605 5.056
67 HB VAL 7 HB VAL 7 -3.499 3.846 2.811
68 1HG1 VAL 7 1HG1 VAL 7 -1.192 5.754 2.847
69 2HG1 VAL 7 2HG1 VAL 7 -2.682 5.818 1.905
70 3HG1 VAL 7 3HG1 VAL 7 -1.392 4.708 1.441
71 1HG2 VAL 7 1HG2 VAL 7 -0.891 2.944 2.340
72 2HG2 VAL 7 2HG2 VAL 7 -2.240 1.973 2.929
73 3HG2 VAL 7 3HG2 VAL 7 -1.125 2.720 4.073
74 H CYS 8 H CYS 8 -2.198 6.478 6.283
75 HA CYS 8 HA CYS 8 -4.454 8.160 5.463
76 1HB CYS 8 2HB CYS 8 -2.162 8.822 7.328
77 2HB CYS 8 1HB CYS 8 -3.804 9.463 7.368
78 H TYR 9 H TYR 9 -4.338 9.828 4.010
79 HA TYR 9 HA TYR 9 -1.625 10.627 3.013
80 1HB TYR 9 2HB TYR 9 -4.322 10.186 1.816
81 2HB TYR 9 1HB TYR 9 -3.329 11.459 1.103
82 HD1 TYR 9 1HD TYR 9 -0.617 10.488 1.320
83 HD2 TYR 9 2HD TYR 9 -4.206 8.301 0.434
84 HE1 TYR 9 1HE TYR 9 0.722 8.777 0.125
85 HE2 TYR 9 2HE TYR 9 -2.867 6.590 -0.763
86 HH TYR 9 HH TYR 9 -0.499 5.756 -0.727
87 H ARG 10 H ARG 10 -2.656 11.828 5.394
88 HA ARG 10 HA ARG 10 -2.981 13.971 6.309
89 1HB ARG 10 2HB ARG 10 -1.104 14.349 4.658
90 2HB ARG 10 1HB ARG 10 -2.320 14.848 3.481
91 1HG ARG 10 2HG ARG 10 -1.425 16.832 4.571
92 2HG ARG 10 1HG ARG 10 -3.094 16.598 5.093
93 1HD ARG 10 2HD ARG 10 -1.651 15.112 6.948
94 2HD ARG 10 1HD ARG 10 -0.639 16.548 6.691
95 HE ARG 10 HE ARG 10 -2.409 17.908 7.530
96 1HH1 ARG 10 1HH1 ARG 10 -2.858 15.007 8.828
97 2HH1 ARG 10 2HH1 ARG 10 -4.590 15.007 8.847
98 1HH2 ARG 10 1HH2 ARG 10 -4.876 17.765 6.764
99 2HH2 ARG 10 2HH2 ARG 10 -5.732 16.569 7.679
100 H GLY 11 H GLY 11 -5.352 12.822 5.822
101 1HA GLY 11 2HA GLY 11 -7.379 14.508 5.810
102 2HA GLY 11 1HA GLY 11 -6.941 14.663 4.108
103 H PHE 12 H PHE 12 -6.177 11.875 3.777
104 HA PHE 12 HA PHE 12 -8.801 10.488 4.186
105 1HB PHE 12 2HB PHE 12 -7.261 11.126 1.697
106 2HB PHE 12 1HB PHE 12 -8.166 9.613 1.752
107 HD1 PHE 12 1HD PHE 12 -10.639 9.802 2.658
108 HD2 PHE 12 2HD PHE 12 -8.370 13.084 1.066
109 HE1 PHE 12 1HE PHE 12 -12.741 11.041 2.215
110 HE2 PHE 12 2HE PHE 12 -10.472 14.323 0.624
111 HZ PHE 12 HZ PHE 12 -12.658 13.302 1.198
112 H CYS 13 H CYS 13 -8.355 8.640 5.312
113 HA CYS 13 HA CYS 13 -5.825 7.159 4.660
114 1HB CYS 13 2HB CYS 13 -5.855 8.461 6.836
115 2HB CYS 13 1HB CYS 13 -7.172 7.414 7.365
116 H TYR 14 H TYR 14 -6.063 4.954 4.418
117 HA TYR 14 HA TYR 14 -8.850 3.905 4.418
118 1HB TYR 14 2HB TYR 14 -6.533 3.678 2.789
119 2HB TYR 14 1HB TYR 14 -6.839 2.077 3.465
120 HD1 TYR 14 1HD TYR 14 -8.516 0.711 2.552
121 HD2 TYR 14 2HD TYR 14 -8.572 4.936 1.780
122 HE1 TYR 14 1HE TYR 14 -10.396 0.397 0.965
123 HE2 TYR 14 2HE TYR 14 -10.450 4.621 0.192
124 HH TYR 14 HH TYR 14 -12.245 1.756 0.016
125 H ARG 15 H ARG 15 -9.127 3.499 6.694
126 HA ARG 15 HA ARG 15 -7.245 1.513 7.908
127 1HB ARG 15 2HB ARG 15 -8.769 3.854 8.798
128 2HB ARG 15 1HB ARG 15 -8.972 2.465 9.867
129 1HG ARG 15 2HG ARG 15 -6.647 2.307 10.291
130 2HG ARG 15 1HG ARG 15 -6.242 3.330 8.912
131 1HD ARG 15 2HD ARG 15 -6.709 5.284 10.053
132 2HD ARG 15 1HD ARG 15 -7.980 4.526 11.034
133 HE ARG 15 HE ARG 15 -5.963 3.237 12.100
134 1HH1 ARG 15 1HH1 ARG 15 -3.867 4.768 10.632
135 2HH1 ARG 15 2HH1 ARG 15 -3.478 6.032 11.749
136 1HH2 ARG 15 1HH2 ARG 15 -6.346 5.596 13.649
137 2HH2 ARG 15 2HH2 ARG 15 -4.882 6.501 13.458
138 H LYS 16 H LYS 16 -8.351 -0.246 6.668
139 HA LYS 16 HA LYS 16 -11.019 -0.951 7.854
140 1HB LYS 16 2HB LYS 16 -9.814 -1.212 5.102
141 2HB LYS 16 1HB LYS 16 -11.141 -2.265 5.596
142 1HG LYS 16 2HG LYS 16 -11.656 0.516 6.300
143 2HG LYS 16 1HG LYS 16 -11.389 0.318 4.567
144 1HD LYS 16 2HD LYS 16 -13.047 -1.572 4.595
145 2HD LYS 16 1HD LYS 16 -13.397 -1.174 6.277
146 1HE LYS 16 2HE LYS 16 -14.391 0.881 5.722
147 2HE LYS 16 1HE LYS 16 -13.559 0.967 4.156
148 1HZ LYS 16 1HZ LYS 16 -15.737 -0.883 4.953
149 2HZ LYS 16 2HZ LYS 16 -14.781 -1.129 3.570
150 3HZ LYS 16 3HZ LYS 16 -15.754 0.258 3.698
151 H CYS 17 H CYS 17 -10.891 -2.738 9.144
152 HA CYS 17 HA CYS 17 -9.098 -4.978 8.370
153 1HB CYS 17 2HB CYS 17 -8.504 -2.990 10.337
154 2HB CYS 17 1HB CYS 17 -8.809 -4.509 11.181
155 H ARG 18 H ARG 18 -10.603 -6.619 8.323
156 HA ARG 18 HA ARG 18 -12.251 -7.058 10.773
157 1HB ARG 18 2HB ARG 18 -13.199 -5.927 8.411
158 2HB ARG 18 1HB ARG 18 -13.658 -7.624 8.269
159 1HG ARG 18 2HG ARG 18 -15.310 -7.340 9.767
160 2HG ARG 18 1HG ARG 18 -14.159 -6.730 10.958
161 1HD ARG 18 2HD ARG 18 -15.921 -5.043 10.447
162 2HD ARG 18 1HD ARG 18 -14.319 -4.468 9.944
163 HE ARG 18 HE ARG 18 -15.667 -5.973 7.848
164 1HH1 ARG 18 1HH2 ARG 18 -17.512 -3.706 8.777
165 2HH1 ARG 18 2HH2 ARG 18 -17.057 -2.447 7.679
166 1HH2 ARG 18 1HH1 ARG 18 -14.126 -4.010 6.686
167 2HH2 ARG 18 2HH1 ARG 18 -15.140 -2.619 6.495
168 1HN NH2 19 1H ARG 18 -10.733 -8.905 11.138
169 2HN NH2 19 2H ARG 18 -10.846 -10.308 10.189