NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
8481 |
1ma4   |
5486 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LYS 1 1HT LYS 1 -2.889 -9.180 6.848
2 2H LYS 1 2HT LYS 1 -1.254 -8.946 6.381
3 3H LYS 1 3HT LYS 1 -1.952 -10.511 6.312
4 HA LYS 1 HA LYS 1 -2.029 -9.912 4.163
5 1HB LYS 1 2HB LYS 1 -4.593 -8.735 5.251
6 2HB LYS 1 1HB LYS 1 -4.350 -9.466 3.670
7 1HG LYS 1 2HG LYS 1 -4.403 -11.596 4.489
8 2HG LYS 1 1HG LYS 1 -3.821 -11.115 6.084
9 1HD LYS 1 2HD LYS 1 -6.564 -10.512 4.982
10 2HD LYS 1 1HD LYS 1 -6.187 -11.817 6.108
11 1HE LYS 1 2HE LYS 1 -6.731 -10.300 7.676
12 2HE LYS 1 1HE LYS 1 -5.096 -9.703 7.398
13 1HZ LYS 1 1HZ LYS 1 -7.358 -8.235 7.179
14 2HZ LYS 1 2HZ LYS 1 -7.035 -8.629 5.566
15 3HZ LYS 1 3HZ LYS 1 -5.865 -7.832 6.491
16 H TRP 2 H TRP 2 -1.658 -8.416 2.583
17 HA TRP 2 HA TRP 2 -0.760 -5.853 3.306
18 1HB TRP 2 2HB TRP 2 -0.291 -5.643 0.979
19 2HB TRP 2 1HB TRP 2 -0.062 -7.343 1.368
20 HD1 TRP 2 HD TRP 2 -3.245 -8.056 1.306
21 HE1 TRP 2 1HE TRP 2 -4.352 -8.236 -0.996
22 HE3 TRP 2 3HE TRP 2 0.137 -5.464 -1.365
23 HZ2 TRP 2 2HZ TRP 2 -3.846 -7.369 -3.660
24 HZ3 TRP 2 3HZ TRP 2 -0.204 -5.140 -3.797
25 HH2 TRP 2 HH TRP 2 -2.162 -6.087 -4.919
26 H TYR 3 H TYR 3 -1.898 -4.527 0.904
27 HA TYR 3 HA TYR 3 -4.652 -4.054 1.786
28 1HB TYR 3 2HB TYR 3 -3.717 -1.601 0.779
29 2HB TYR 3 1HB TYR 3 -4.137 -1.985 2.440
30 HD1 TYR 3 1HD TYR 3 -2.492 -2.056 4.117
31 HD2 TYR 3 2HD TYR 3 -1.309 -1.944 0.032
32 HE1 TYR 3 1HE TYR 3 -0.161 -1.685 4.807
33 HE2 TYR 3 2HE TYR 3 1.023 -1.573 0.711
34 HH TYR 3 HH TYR 3 2.164 -2.119 3.750
35 H PHE 4 H PHE 4 -2.996 -2.288 -0.727
36 HA PHE 4 HA PHE 4 -3.320 -3.649 -3.010
37 1HB PHE 4 2HB PHE 4 -5.540 -3.162 -3.898
38 2HB PHE 4 1HB PHE 4 -5.675 -4.107 -2.427
39 HD1 PHE 4 1HD PHE 4 -5.418 -1.981 -0.339
40 HD2 PHE 4 2HD PHE 4 -7.504 -1.998 -4.056
41 HE1 PHE 4 1HE PHE 4 -7.002 -0.361 0.554
42 HE2 PHE 4 2HE PHE 4 -9.087 -0.342 -3.164
43 HZ PHE 4 HZ PHE 4 -8.841 0.480 -0.857
44 H ARG 5 H ARG 5 -4.261 -0.629 -1.497
45 HA ARG 5 HA ARG 5 -2.552 0.901 -3.212
46 1HB ARG 5 2HB ARG 5 -5.540 1.360 -3.281
47 2HB ARG 5 1HB ARG 5 -4.344 2.437 -3.980
48 1HG ARG 5 2HG ARG 5 -4.837 -0.410 -4.829
49 2HG ARG 5 1HG ARG 5 -5.433 1.028 -5.656
50 1HD ARG 5 2HD ARG 5 -2.547 1.044 -5.160
51 2HD ARG 5 1HD ARG 5 -3.087 -0.259 -6.217
52 HE ARG 5 HE ARG 5 -2.944 2.513 -6.854
53 1HH1 ARG 5 1HH1 ARG 5 -4.755 -0.403 -7.486
54 2HH1 ARG 5 2HH1 ARG 5 -5.291 0.120 -9.048
55 1HH2 ARG 5 1HH2 ARG 5 -3.648 3.201 -8.907
56 2HH2 ARG 5 2HH2 ARG 5 -4.662 2.165 -9.855
57 H VAL 6 H VAL 6 -5.471 1.681 -1.439
58 HA VAL 6 HA VAL 6 -5.900 3.058 0.299
59 HB VAL 6 HB VAL 6 -3.359 1.761 1.266
60 1HG1 VAL 6 1HG1 VAL 6 -3.705 3.857 2.487
61 2HG1 VAL 6 2HG1 VAL 6 -3.989 2.458 3.524
62 3HG1 VAL 6 3HG1 VAL 6 -5.355 3.363 2.869
63 1HG2 VAL 6 1HG2 VAL 6 -5.062 0.151 0.931
64 2HG2 VAL 6 2HG2 VAL 6 -6.280 1.182 1.681
65 3HG2 VAL 6 3HG2 VAL 6 -5.002 0.468 2.665
66 H TYR 7 H TYR 7 -2.426 3.305 0.407
67 HA TYR 7 HA TYR 7 -1.345 5.350 1.064
68 1HB TYR 7 2HB TYR 7 -0.007 5.352 -0.678
69 2HB TYR 7 1HB TYR 7 -1.089 4.172 -1.386
70 HD1 TYR 7 1HD TYR 7 0.793 6.807 -2.245
71 HD2 TYR 7 2HD TYR 7 -3.334 5.684 -2.468
72 HE1 TYR 7 1HE TYR 7 0.485 8.299 -4.170
73 HE2 TYR 7 2HE TYR 7 -3.619 7.171 -4.398
74 HH TYR 7 HH TYR 7 -1.194 8.366 -6.201
75 H TYR 8 H TYR 8 -3.918 5.934 -1.162
76 HA TYR 8 HA TYR 8 -5.088 7.712 -1.820
77 1HB TYR 8 2HB TYR 8 -5.436 9.368 0.241
78 2HB TYR 8 1HB TYR 8 -6.294 7.856 0.011
79 HD1 TYR 8 1HD TYR 8 -3.721 9.567 2.027
80 HD2 TYR 8 2HD TYR 8 -5.893 5.952 1.439
81 HE1 TYR 8 1HE TYR 8 -2.985 8.770 4.227
82 HE2 TYR 8 2HE TYR 8 -5.148 5.144 3.634
83 HH TYR 8 HH TYR 8 -2.650 6.523 5.355
84 H ARG 9 H ARG 9 -3.132 9.473 0.478
85 HA ARG 9 HA ARG 9 -1.780 10.830 -1.732
86 1HB ARG 9 2HB ARG 9 -2.005 12.981 -0.601
87 2HB ARG 9 1HB ARG 9 -3.596 12.297 -0.903
88 1HG ARG 9 2HG ARG 9 -3.794 11.613 1.396
89 2HG ARG 9 1HG ARG 9 -2.143 12.140 1.728
90 1HD ARG 9 2HD ARG 9 -2.713 14.333 1.795
91 2HD ARG 9 1HD ARG 9 -3.961 14.157 0.562
92 HE ARG 9 HE ARG 9 -5.488 13.903 2.232
93 1HH1 ARG 9 1HH1 ARG 9 -2.329 13.180 3.525
94 2HH1 ARG 9 2HH1 ARG 9 -2.900 12.989 5.148
95 1HH2 ARG 9 1HH2 ARG 9 -6.241 13.653 4.366
96 2HH2 ARG 9 2HH2 ARG 9 -5.122 13.256 5.626
97 H GLY 10 H GLY 10 -1.014 8.646 -0.084
98 1HA GLY 10 2HA GLY 10 1.026 9.821 1.669
99 2HA GLY 10 1HA GLY 10 0.394 8.188 1.786
100 H ILE 11 H ILE 11 1.066 6.605 0.268
101 HA ILE 11 HA ILE 11 2.691 6.805 -1.880
102 HB ILE 11 HB ILE 11 4.186 8.111 -0.287
103 1HG1 ILE 11 2HG1 ILE 11 4.956 7.466 -2.456
104 2HG1 ILE 11 1HG1 ILE 11 6.252 7.153 -1.302
105 1HG2 ILE 11 1HG2 ILE 11 4.500 7.035 1.664
106 2HG2 ILE 11 2HG2 ILE 11 5.917 6.470 0.784
107 3HG2 ILE 11 3HG2 ILE 11 4.500 5.447 0.916
108 1HD1 ILE 11 1HD1 ILE 11 4.398 5.186 -2.585
109 2HD1 ILE 11 2HD1 ILE 11 5.420 4.793 -1.200
110 3HD1 ILE 11 3HD1 ILE 11 6.157 5.286 -2.731
111 H TYR 12 H TYR 12 1.061 5.054 -1.660
112 HA TYR 12 HA TYR 12 0.391 2.904 -1.224
113 1HB TYR 12 2HB TYR 12 2.781 2.844 -3.006
114 2HB TYR 12 1HB TYR 12 1.839 1.384 -2.684
115 HD1 TYR 12 1HD TYR 12 2.242 3.505 -5.198
116 HD2 TYR 12 2HD TYR 12 -0.866 2.366 -2.535
117 HE1 TYR 12 1HE TYR 12 0.564 4.218 -6.853
118 HE2 TYR 12 2HE TYR 12 -2.547 3.076 -4.155
119 HH TYR 12 HH TYR 12 -2.350 4.970 -6.310
120 H TYR 13 H TYR 13 3.894 2.776 -0.692
121 HA TYR 13 HA TYR 13 4.967 1.998 1.145
122 1HB TYR 13 2HB TYR 13 2.518 0.689 2.271
123 2HB TYR 13 1HB TYR 13 3.901 1.378 3.123
124 HD1 TYR 13 1HD TYR 13 0.709 1.892 3.292
125 HD2 TYR 13 2HD TYR 13 4.049 3.979 1.684
126 HE1 TYR 13 1HE TYR 13 -0.504 4.019 3.516
127 HE2 TYR 13 2HE TYR 13 2.858 6.076 1.870
128 HH TYR 13 HH TYR 13 0.258 6.556 3.769
129 H ARG 14 H ARG 14 5.431 -0.244 2.205
130 HA ARG 14 HA ARG 14 5.970 -2.070 0.147
131 1HB ARG 14 2HB ARG 14 5.833 -2.661 3.108
132 2HB ARG 14 1HB ARG 14 6.713 -3.580 1.895
133 1HG ARG 14 2HG ARG 14 8.022 -1.434 1.467
134 2HG ARG 14 1HG ARG 14 7.320 -0.853 2.978
135 1HD ARG 14 2HD ARG 14 9.250 -1.772 3.779
136 2HD ARG 14 1HD ARG 14 8.190 -3.178 3.869
137 HE ARG 14 HE ARG 14 9.559 -4.197 2.368
138 1HH1 ARG 14 1HH1 ARG 14 9.896 -0.749 1.960
139 2HH1 ARG 14 2HH1 ARG 14 11.127 -0.885 0.750
140 1HH2 ARG 14 1HH2 ARG 14 11.178 -4.381 0.776
141 2HH2 ARG 14 2HH2 ARG 14 11.855 -2.947 0.077
142 H ARG 15 H ARG 15 3.991 -2.430 -0.931
143 HA ARG 15 HA ARG 15 1.772 -3.619 0.451
144 1HB ARG 15 2HB ARG 15 0.647 -3.607 -1.645
145 2HB ARG 15 1HB ARG 15 1.571 -2.117 -1.560
146 1HG ARG 15 2HG ARG 15 2.711 -4.516 -2.933
147 2HG ARG 15 1HG ARG 15 1.545 -3.478 -3.754
148 1HD ARG 15 2HD ARG 15 3.141 -1.567 -2.932
149 2HD ARG 15 1HD ARG 15 4.320 -2.874 -2.845
150 HE ARG 15 HE ARG 15 2.904 -2.735 -5.348
151 1HH1 ARG 15 1HH1 ARG 15 5.663 -1.589 -3.542
152 2HH1 ARG 15 2HH1 ARG 15 6.582 -1.197 -4.956
153 1HH2 ARG 15 1HH2 ARG 15 4.112 -2.219 -7.207
154 2HH2 ARG 15 2HH2 ARG 15 5.702 -1.554 -7.037
155 H TYR 16 H TYR 16 4.475 -4.758 -1.460
156 HA TYR 16 HA TYR 16 3.587 -7.326 -2.072
157 1HB TYR 16 2HB TYR 16 5.864 -7.892 -2.476
158 2HB TYR 16 1HB TYR 16 5.688 -6.196 -2.911
159 HD1 TYR 16 1HD TYR 16 6.425 -4.451 -1.176
160 HD2 TYR 16 2HD TYR 16 7.506 -8.561 -0.957
161 HE1 TYR 16 1HE TYR 16 8.292 -3.876 0.318
162 HE2 TYR 16 2HE TYR 16 9.375 -7.997 0.537
163 HH TYR 16 HH TYR 16 10.069 -6.251 2.039
164 H ARG 17 H ARG 17 5.356 -6.187 0.794
165 HA ARG 17 HA ARG 17 4.132 -8.233 2.407
166 1HB ARG 17 2HB ARG 17 7.008 -8.368 1.604
167 2HB ARG 17 1HB ARG 17 6.557 -8.875 3.227
168 1HG ARG 17 2HG ARG 17 5.551 -10.014 0.629
169 2HG ARG 17 1HG ARG 17 6.624 -10.793 1.792
170 1HD ARG 17 2HD ARG 17 4.840 -11.641 2.806
171 2HD ARG 17 1HD ARG 17 4.345 -10.004 3.232
172 HE ARG 17 HE ARG 17 2.659 -10.205 1.721
173 1HH1 ARG 17 1HH1 ARG 17 5.187 -12.433 0.815
174 2HH1 ARG 17 2HH1 ARG 17 4.292 -13.108 -0.504
175 1HH2 ARG 17 1HH2 ARG 17 1.479 -11.093 -0.013
176 2HH2 ARG 17 2HH2 ARG 17 2.186 -12.348 -0.974
Start of MODEL 2
1 1H LYS 1 1HT LYS 1 2.200 -10.153 -9.189
2 2H LYS 1 2HT LYS 1 0.896 -11.095 -8.591
3 3H LYS 1 3HT LYS 1 1.939 -10.280 -7.500
4 HA LYS 1 HA LYS 1 1.139 -8.222 -8.066
5 1HB LYS 1 2HB LYS 1 -0.296 -7.844 -9.993
6 2HB LYS 1 1HB LYS 1 1.182 -8.647 -10.501
7 1HG LYS 1 2HG LYS 1 -0.188 -10.010 -11.617
8 2HG LYS 1 1HG LYS 1 -0.460 -10.770 -10.047
9 1HD LYS 1 2HD LYS 1 -2.256 -8.780 -9.897
10 2HD LYS 1 1HD LYS 1 -2.225 -9.014 -11.646
11 1HE LYS 1 2HE LYS 1 -3.591 -10.747 -11.396
12 2HE LYS 1 1HE LYS 1 -2.316 -11.583 -10.510
13 1HZ LYS 1 1HZ LYS 1 -4.698 -11.029 -9.476
14 2HZ LYS 1 2HZ LYS 1 -3.855 -9.645 -8.991
15 3HZ LYS 1 3HZ LYS 1 -3.295 -11.177 -8.542
16 H TRP 2 H TRP 2 -0.093 -7.952 -6.306
17 HA TRP 2 HA TRP 2 -2.609 -9.431 -6.130
18 1HB TRP 2 2HB TRP 2 -2.367 -9.228 -3.673
19 2HB TRP 2 1HB TRP 2 -1.014 -10.095 -4.392
20 HD1 TRP 2 HD TRP 2 1.173 -8.230 -4.980
21 HE1 TRP 2 1HE TRP 2 2.086 -6.468 -3.360
22 HE3 TRP 2 3HE TRP 2 -2.724 -7.994 -1.793
23 HZ2 TRP 2 2HZ TRP 2 1.264 -5.167 -0.963
24 HZ3 TRP 2 3HZ TRP 2 -2.631 -6.478 0.148
25 HH2 TRP 2 HH TRP 2 -0.658 -5.100 0.555
26 H TYR 3 H TYR 3 -1.237 -6.529 -4.606
27 HA TYR 3 HA TYR 3 -2.097 -4.391 -5.631
28 1HB TYR 3 2HB TYR 3 -4.502 -3.944 -5.041
29 2HB TYR 3 1HB TYR 3 -4.313 -5.229 -6.225
30 HD1 TYR 3 1HD TYR 3 -3.271 -6.249 -3.006
31 HD2 TYR 3 2HD TYR 3 -6.734 -5.712 -5.419
32 HE1 TYR 3 1HE TYR 3 -4.507 -7.791 -1.566
33 HE2 TYR 3 2HE TYR 3 -7.990 -7.250 -3.969
34 HH TYR 3 HH TYR 3 -6.794 -8.317 -0.945
35 H PHE 4 H PHE 4 -3.931 -3.222 -3.564
36 HA PHE 4 HA PHE 4 -3.564 -3.526 -0.984
37 1HB PHE 4 2HB PHE 4 -1.471 -2.491 -0.266
38 2HB PHE 4 1HB PHE 4 -1.146 -3.888 -1.275
39 HD1 PHE 4 1HD PHE 4 -1.317 -0.193 -1.285
40 HD2 PHE 4 2HD PHE 4 0.061 -3.712 -3.259
41 HE1 PHE 4 1HE PHE 4 0.048 1.191 -2.763
42 HE2 PHE 4 2HE PHE 4 1.451 -2.318 -4.756
43 HZ PHE 4 HZ PHE 4 1.444 0.137 -4.510
44 H ARG 5 H ARG 5 -2.573 -1.150 -3.374
45 HA ARG 5 HA ARG 5 -2.450 1.184 -2.811
46 1HB ARG 5 2HB ARG 5 -5.172 1.079 -3.889
47 2HB ARG 5 1HB ARG 5 -3.754 1.971 -4.415
48 1HG ARG 5 2HG ARG 5 -4.006 0.509 -6.154
49 2HG ARG 5 1HG ARG 5 -2.897 -0.394 -5.122
50 1HD ARG 5 2HD ARG 5 -4.425 -2.032 -5.514
51 2HD ARG 5 1HD ARG 5 -5.182 -1.287 -4.106
52 HE ARG 5 HE ARG 5 -6.945 -0.785 -5.447
53 1HH1 ARG 5 1HH1 ARG 5 -4.101 -1.007 -7.460
54 2HH1 ARG 5 2HH1 ARG 5 -4.964 -0.695 -8.927
55 1HH2 ARG 5 1HH2 ARG 5 -8.079 -0.376 -7.379
56 2HH2 ARG 5 2HH2 ARG 5 -7.221 -0.338 -8.883
57 H VAL 6 H VAL 6 -2.498 2.162 -1.072
58 HA VAL 6 HA VAL 6 -5.021 2.623 0.358
59 HB VAL 6 HB VAL 6 -2.645 2.534 2.062
60 1HG1 VAL 6 1HG1 VAL 6 -4.375 0.912 3.266
61 2HG1 VAL 6 2HG1 VAL 6 -5.494 1.705 2.158
62 3HG1 VAL 6 3HG1 VAL 6 -4.555 2.666 3.298
63 1HG2 VAL 6 1HG2 VAL 6 -2.214 0.232 2.115
64 2HG2 VAL 6 2HG2 VAL 6 -2.240 0.635 0.398
65 3HG2 VAL 6 3HG2 VAL 6 -3.635 -0.149 1.146
66 H TYR 7 H TYR 7 -1.733 3.465 -0.343
67 HA TYR 7 HA TYR 7 -0.803 5.483 0.810
68 1HB TYR 7 2HB TYR 7 0.304 6.016 -1.035
69 2HB TYR 7 1HB TYR 7 -0.516 4.611 -1.677
70 HD1 TYR 7 1HD TYR 7 -3.155 5.603 -2.415
71 HD2 TYR 7 2HD TYR 7 0.647 7.517 -2.691
72 HE1 TYR 7 1HE TYR 7 -3.989 6.987 -4.270
73 HE2 TYR 7 2HE TYR 7 -0.192 8.914 -4.536
74 HH TYR 7 HH TYR 7 -3.103 9.556 -5.193
75 H TYR 8 H TYR 8 -3.746 6.031 -0.998
76 HA TYR 8 HA TYR 8 -5.014 7.973 -1.216
77 1HB TYR 8 2HB TYR 8 -6.238 8.268 0.791
78 2HB TYR 8 1HB TYR 8 -5.699 6.592 0.799
79 HD1 TYR 8 1HD TYR 8 -5.847 9.608 2.662
80 HD2 TYR 8 2HD TYR 8 -3.490 6.110 2.138
81 HE1 TYR 8 1HE TYR 8 -4.822 9.964 4.865
82 HE2 TYR 8 2HE TYR 8 -2.478 6.432 4.329
83 HH TYR 8 HH TYR 8 -3.129 7.623 6.507
84 H ARG 9 H ARG 9 -2.962 9.173 -1.960
85 HA ARG 9 HA ARG 9 -1.782 11.125 -1.984
86 1HB ARG 9 2HB ARG 9 -2.770 12.971 -1.087
87 2HB ARG 9 1HB ARG 9 -4.103 11.864 -0.817
88 1HG ARG 9 2HG ARG 9 -2.841 11.491 1.494
89 2HG ARG 9 1HG ARG 9 -2.239 13.106 1.125
90 1HD ARG 9 2HD ARG 9 -4.750 13.623 0.641
91 2HD ARG 9 1HD ARG 9 -5.035 12.193 1.633
92 HE ARG 9 HE ARG 9 -3.272 14.150 2.814
93 1HH1 ARG 9 1HH1 ARG 9 -6.577 13.079 2.460
94 2HH1 ARG 9 2HH1 ARG 9 -7.112 13.844 3.917
95 1HH2 ARG 9 1HH2 ARG 9 -3.977 15.153 4.732
96 2HH2 ARG 9 2HH2 ARG 9 -5.636 15.022 5.207
97 H GLY 10 H GLY 10 -1.045 8.725 -0.527
98 1HA GLY 10 2HA GLY 10 0.694 9.830 1.577
99 2HA GLY 10 1HA GLY 10 0.111 8.172 1.517
100 H ILE 11 H ILE 11 1.156 6.670 0.280
101 HA ILE 11 HA ILE 11 3.024 7.159 -1.723
102 HB ILE 11 HB ILE 11 4.213 8.177 0.302
103 1HG1 ILE 11 2HG1 ILE 11 5.593 8.124 -1.504
104 2HG1 ILE 11 1HG1 ILE 11 6.428 6.932 -0.512
105 1HG2 ILE 11 1HG2 ILE 11 4.223 6.807 2.072
106 2HG2 ILE 11 2HG2 ILE 11 5.764 6.350 1.351
107 3HG2 ILE 11 3HG2 ILE 11 4.343 5.348 1.096
108 1HD1 ILE 11 1HD1 ILE 11 4.407 6.319 -2.656
109 2HD1 ILE 11 2HD1 ILE 11 5.290 5.143 -1.683
110 3HD1 ILE 11 3HD1 ILE 11 6.163 6.179 -2.815
111 H TYR 12 H TYR 12 1.372 5.389 -2.029
112 HA TYR 12 HA TYR 12 0.706 3.134 -1.633
113 1HB TYR 12 2HB TYR 12 3.048 3.288 -3.528
114 2HB TYR 12 1HB TYR 12 1.974 1.894 -3.409
115 HD1 TYR 12 1HD TYR 12 2.623 4.441 -5.489
116 HD2 TYR 12 2HD TYR 12 -0.659 2.950 -3.233
117 HE1 TYR 12 1HE TYR 12 1.061 5.510 -7.062
118 HE2 TYR 12 2HE TYR 12 -2.229 4.013 -4.793
119 HH TYR 12 HH TYR 12 -2.287 5.806 -6.412
120 H TYR 13 H TYR 13 0.999 2.311 0.361
121 HA TYR 13 HA TYR 13 3.646 1.427 1.165
122 1HB TYR 13 2HB TYR 13 1.205 1.023 2.852
123 2HB TYR 13 1HB TYR 13 2.862 1.351 3.348
124 HD1 TYR 13 1HD TYR 13 3.129 3.715 1.279
125 HD2 TYR 13 2HD TYR 13 0.305 2.745 4.311
126 HE1 TYR 13 1HE TYR 13 2.567 6.028 1.467
127 HE2 TYR 13 2HE TYR 13 -0.261 5.127 4.529
128 HH TYR 13 HH TYR 13 1.354 7.469 3.821
129 H ARG 14 H ARG 14 2.240 -0.678 2.914
130 HA ARG 14 HA ARG 14 1.268 -2.634 1.042
131 1HB ARG 14 2HB ARG 14 3.012 -4.280 1.399
132 2HB ARG 14 1HB ARG 14 3.716 -2.812 0.737
133 1HG ARG 14 2HG ARG 14 3.714 -3.439 3.675
134 2HG ARG 14 1HG ARG 14 5.010 -3.925 2.582
135 1HD ARG 14 2HD ARG 14 4.135 -1.144 3.317
136 2HD ARG 14 1HD ARG 14 5.712 -1.895 3.564
137 HE ARG 14 HE ARG 14 4.805 -0.553 1.223
138 1HH1 ARG 14 1HH1 ARG 14 6.836 -3.167 2.327
139 2HH1 ARG 14 2HH1 ARG 14 7.878 -3.109 0.946
140 1HH2 ARG 14 1HH2 ARG 14 6.175 -0.474 -0.597
141 2HH2 ARG 14 2HH2 ARG 14 7.504 -1.579 -0.715
142 H ARG 15 H ARG 15 -0.096 -4.017 2.038
143 HA ARG 15 HA ARG 15 -0.135 -3.964 4.980
144 1HB ARG 15 2HB ARG 15 -2.544 -4.637 4.738
145 2HB ARG 15 1HB ARG 15 -2.156 -3.027 4.151
146 1HG ARG 15 2HG ARG 15 -1.902 -4.967 2.041
147 2HG ARG 15 1HG ARG 15 -3.496 -5.054 2.788
148 1HD ARG 15 2HD ARG 15 -2.457 -2.349 2.212
149 2HD ARG 15 1HD ARG 15 -2.876 -3.341 0.817
150 HE ARG 15 HE ARG 15 -4.683 -2.143 2.696
151 1HH1 ARG 15 1HH1 ARG 15 -4.259 -4.762 0.428
152 2HH1 ARG 15 2HH1 ARG 15 -5.959 -4.974 0.164
153 1HH2 ARG 15 1HH2 ARG 15 -6.917 -2.421 2.350
154 2HH2 ARG 15 2HH2 ARG 15 -7.467 -3.645 1.254
155 H TYR 16 H TYR 16 -0.231 -6.066 2.154
156 HA TYR 16 HA TYR 16 -0.922 -8.488 3.222
157 1HB TYR 16 2HB TYR 16 0.192 -9.515 1.424
158 2HB TYR 16 1HB TYR 16 -0.219 -7.916 0.819
159 HD1 TYR 16 1HD TYR 16 1.875 -6.227 1.935
160 HD2 TYR 16 2HD TYR 16 2.142 -10.160 0.338
161 HE1 TYR 16 1HE TYR 16 4.239 -5.837 1.386
162 HE2 TYR 16 2HE TYR 16 4.507 -9.778 -0.222
163 HH TYR 16 HH TYR 16 5.954 -6.660 -0.061
164 H ARG 17 H ARG 17 1.965 -6.662 3.832
165 HA ARG 17 HA ARG 17 3.491 -8.815 4.932
166 1HB ARG 17 2HB ARG 17 4.531 -6.783 3.985
167 2HB ARG 17 1HB ARG 17 3.823 -5.830 5.282
168 1HG ARG 17 2HG ARG 17 5.109 -7.603 6.777
169 2HG ARG 17 1HG ARG 17 6.121 -7.696 5.335
170 1HD ARG 17 2HD ARG 17 5.380 -5.030 6.455
171 2HD ARG 17 1HD ARG 17 6.665 -5.967 7.216
172 HE ARG 17 HE ARG 17 6.860 -4.496 4.816
173 1HH1 ARG 17 1HH1 ARG 17 7.888 -7.503 6.256
174 2HH1 ARG 17 2HH1 ARG 17 9.311 -7.629 5.279
175 1HH2 ARG 17 1HH2 ARG 17 8.733 -4.659 3.530
176 2HH2 ARG 17 2HH2 ARG 17 9.793 -6.014 3.732
Start of MODEL 3
1 1H LYS 1 1HT LYS 1 -7.948 -8.976 6.881
2 2H LYS 1 2HT LYS 1 -6.807 -10.030 6.150
3 3H LYS 1 3HT LYS 1 -8.488 -10.348 6.007
4 HA LYS 1 HA LYS 1 -7.721 -9.463 3.990
5 1HB LYS 1 2HB LYS 1 -9.937 -8.787 4.997
6 2HB LYS 1 1HB LYS 1 -9.165 -7.300 5.530
7 1HG LYS 1 2HG LYS 1 -8.727 -7.799 2.709
8 2HG LYS 1 1HG LYS 1 -10.442 -7.729 3.117
9 1HD LYS 1 2HD LYS 1 -10.371 -5.522 3.487
10 2HD LYS 1 1HD LYS 1 -8.871 -5.638 4.410
11 1HE LYS 1 2HE LYS 1 -8.110 -4.444 2.625
12 2HE LYS 1 1HE LYS 1 -7.858 -6.074 2.002
13 1HZ LYS 1 1HZ LYS 1 -10.229 -5.785 1.077
14 2HZ LYS 1 2HZ LYS 1 -8.948 -5.021 0.280
15 3HZ LYS 1 3HZ LYS 1 -9.959 -4.130 1.302
16 H TRP 2 H TRP 2 -5.936 -8.622 3.121
17 HA TRP 2 HA TRP 2 -4.119 -7.002 4.524
18 1HB TRP 2 2HB TRP 2 -2.841 -7.182 2.538
19 2HB TRP 2 1HB TRP 2 -3.766 -8.681 2.614
20 HD1 TRP 2 HD TRP 2 -6.445 -7.996 1.313
21 HE1 TRP 2 1HE TRP 2 -6.593 -7.174 -1.112
22 HE3 TRP 2 3HE TRP 2 -1.719 -6.411 0.779
23 HZ2 TRP 2 2HZ TRP 2 -4.868 -5.997 -3.054
24 HZ3 TRP 2 3HZ TRP 2 -0.978 -5.423 -1.376
25 HH2 TRP 2 HH TRP 2 -2.535 -5.229 -3.256
26 H TYR 3 H TYR 3 -3.556 -5.294 2.097
27 HA TYR 3 HA TYR 3 -5.796 -3.416 2.268
28 1HB TYR 3 2HB TYR 3 -4.003 -1.569 2.310
29 2HB TYR 3 1HB TYR 3 -4.286 -2.457 3.797
30 HD1 TYR 3 1HD TYR 3 -2.351 -2.808 4.990
31 HD2 TYR 3 2HD TYR 3 -2.196 -3.031 0.746
32 HE1 TYR 3 1HE TYR 3 0.037 -3.383 5.114
33 HE2 TYR 3 2HE TYR 3 0.192 -3.608 0.856
34 HH TYR 3 HH TYR 3 1.693 -4.808 3.078
35 H PHE 4 H PHE 4 -3.617 -1.663 0.690
36 HA PHE 4 HA PHE 4 -3.013 -2.660 -1.761
37 1HB PHE 4 2HB PHE 4 -4.905 -2.323 -3.202
38 2HB PHE 4 1HB PHE 4 -5.505 -3.260 -1.838
39 HD1 PHE 4 1HD PHE 4 -6.590 -0.962 -3.947
40 HD2 PHE 4 2HD PHE 4 -5.917 -1.326 0.236
41 HE1 PHE 4 1HE PHE 4 -8.221 0.820 -3.541
42 HE2 PHE 4 2HE PHE 4 -7.569 0.437 0.663
43 HZ PHE 4 HZ PHE 4 -8.736 1.518 -1.228
44 H ARG 5 H ARG 5 -4.538 -0.371 -3.196
45 HA ARG 5 HA ARG 5 -2.588 1.650 -2.846
46 1HB ARG 5 2HB ARG 5 -3.586 2.669 -4.677
47 2HB ARG 5 1HB ARG 5 -4.060 0.995 -4.908
48 1HG ARG 5 2HG ARG 5 -6.116 2.022 -3.397
49 2HG ARG 5 1HG ARG 5 -5.697 3.346 -4.486
50 1HD ARG 5 2HD ARG 5 -5.647 1.135 -6.130
51 2HD ARG 5 1HD ARG 5 -6.996 0.797 -5.049
52 HE ARG 5 HE ARG 5 -7.315 3.408 -5.888
53 1HH1 ARG 5 1HH1 ARG 5 -7.173 0.255 -7.376
54 2HH1 ARG 5 2HH1 ARG 5 -8.208 0.692 -8.694
55 1HH2 ARG 5 1HH2 ARG 5 -8.672 3.987 -7.625
56 2HH2 ARG 5 2HH2 ARG 5 -9.056 2.810 -8.837
57 H VAL 6 H VAL 6 -3.610 1.275 -0.339
58 HA VAL 6 HA VAL 6 -5.692 3.112 0.334
59 HB VAL 6 HB VAL 6 -3.545 2.030 2.114
60 1HG1 VAL 6 1HG1 VAL 6 -6.183 3.338 2.590
61 2HG1 VAL 6 2HG1 VAL 6 -4.632 3.614 3.384
62 3HG1 VAL 6 3HG1 VAL 6 -5.573 2.173 3.766
63 1HG2 VAL 6 1HG2 VAL 6 -4.821 0.272 0.797
64 2HG2 VAL 6 2HG2 VAL 6 -6.225 0.741 1.755
65 3HG2 VAL 6 3HG2 VAL 6 -4.793 0.095 2.549
66 H TYR 7 H TYR 7 -2.496 3.515 -0.524
67 HA TYR 7 HA TYR 7 -1.472 5.416 1.171
68 1HB TYR 7 2HB TYR 7 0.124 5.538 -0.390
69 2HB TYR 7 1HB TYR 7 -0.755 4.210 -1.123
70 HD1 TYR 7 1HD TYR 7 1.037 6.788 -2.136
71 HD2 TYR 7 2HD TYR 7 -3.053 5.593 -2.437
72 HE1 TYR 7 1HE TYR 7 0.806 8.101 -4.193
73 HE2 TYR 7 2HE TYR 7 -3.270 6.899 -4.500
74 HH TYR 7 HH TYR 7 -1.919 7.836 -6.252
75 H TYR 8 H TYR 8 -3.909 5.693 -1.186
76 HA TYR 8 HA TYR 8 -5.028 7.380 -2.172
77 1HB TYR 8 2HB TYR 8 -5.733 9.088 -0.185
78 2HB TYR 8 1HB TYR 8 -6.543 7.593 -0.610
79 HD1 TYR 8 1HD TYR 8 -3.764 8.785 1.601
80 HD2 TYR 8 2HD TYR 8 -7.004 6.082 1.067
81 HE1 TYR 8 1HE TYR 8 -3.398 7.932 3.861
82 HE2 TYR 8 2HE TYR 8 -6.648 5.209 3.343
83 HH TYR 8 HH TYR 8 -3.865 5.999 5.202
84 H ARG 9 H ARG 9 -3.194 9.102 0.276
85 HA ARG 9 HA ARG 9 -1.880 10.676 -1.785
86 1HB ARG 9 2HB ARG 9 -2.319 12.762 -0.604
87 2HB ARG 9 1HB ARG 9 -3.839 11.982 -1.014
88 1HG ARG 9 2HG ARG 9 -2.773 11.309 1.639
89 2HG ARG 9 1HG ARG 9 -3.250 12.994 1.419
90 1HD ARG 9 2HD ARG 9 -4.947 10.533 1.036
91 2HD ARG 9 1HD ARG 9 -5.142 11.796 2.251
92 HE ARG 9 HE ARG 9 -6.043 11.859 -0.473
93 1HH1 ARG 9 1HH1 ARG 9 -5.091 13.810 2.259
94 2HH1 ARG 9 2HH1 ARG 9 -5.988 15.198 1.740
95 1HH2 ARG 9 1HH2 ARG 9 -7.216 13.685 -1.162
96 2HH2 ARG 9 2HH2 ARG 9 -7.192 15.127 -0.202
97 H GLY 10 H GLY 10 -0.992 8.497 -0.260
98 1HA GLY 10 2HA GLY 10 0.850 9.743 1.670
99 2HA GLY 10 1HA GLY 10 0.269 8.089 1.774
100 H ILE 11 H ILE 11 1.093 6.514 0.276
101 HA ILE 11 HA ILE 11 2.882 6.844 -1.752
102 HB ILE 11 HB ILE 11 4.193 8.094 0.050
103 1HG1 ILE 11 2HG1 ILE 11 5.143 7.612 -2.096
104 2HG1 ILE 11 1HG1 ILE 11 6.358 7.276 -0.862
105 1HG2 ILE 11 1HG2 ILE 11 5.860 6.561 1.227
106 2HG2 ILE 11 2HG2 ILE 11 4.639 5.317 1.017
107 3HG2 ILE 11 3HG2 ILE 11 4.262 6.770 1.930
108 1HD1 ILE 11 1HD1 ILE 11 4.673 5.295 -2.349
109 2HD1 ILE 11 2HD1 ILE 11 5.708 4.890 -0.980
110 3HD1 ILE 11 3HD1 ILE 11 6.421 5.527 -2.467
111 H TYR 12 H TYR 12 1.196 5.014 -1.628
112 HA TYR 12 HA TYR 12 0.604 2.829 -1.436
113 1HB TYR 12 2HB TYR 12 3.255 2.858 -2.815
114 2HB TYR 12 1HB TYR 12 2.251 1.410 -2.736
115 HD1 TYR 12 1HD TYR 12 3.180 3.507 -5.062
116 HD2 TYR 12 2HD TYR 12 -0.439 2.548 -3.047
117 HE1 TYR 12 1HE TYR 12 1.893 4.307 -7.000
118 HE2 TYR 12 2HE TYR 12 -1.736 3.345 -4.968
119 HH TYR 12 HH TYR 12 -1.478 3.745 -7.329
120 H TYR 13 H TYR 13 4.037 2.684 -0.618
121 HA TYR 13 HA TYR 13 4.986 1.914 1.287
122 1HB TYR 13 2HB TYR 13 2.500 0.554 2.252
123 2HB TYR 13 1HB TYR 13 3.826 1.234 3.191
124 HD1 TYR 13 1HD TYR 13 0.732 1.724 3.448
125 HD2 TYR 13 2HD TYR 13 3.911 3.847 1.609
126 HE1 TYR 13 1HE TYR 13 -0.547 3.817 3.648
127 HE2 TYR 13 2HE TYR 13 2.664 5.914 1.775
128 HH TYR 13 HH TYR 13 -0.669 5.990 2.889
129 H ARG 14 H ARG 14 2.476 -0.497 0.555
130 HA ARG 14 HA ARG 14 2.604 -2.709 0.034
131 1HB ARG 14 2HB ARG 14 4.254 -1.256 -1.794
132 2HB ARG 14 1HB ARG 14 5.001 -2.817 -1.486
133 1HG ARG 14 2HG ARG 14 2.163 -2.383 -2.398
134 2HG ARG 14 1HG ARG 14 3.513 -2.877 -3.421
135 1HD ARG 14 2HD ARG 14 3.536 -4.670 -1.289
136 2HD ARG 14 1HD ARG 14 1.831 -4.465 -1.687
137 HE ARG 14 HE ARG 14 2.188 -5.606 -3.634
138 1HH1 ARG 14 1HH1 ARG 14 5.271 -4.579 -2.357
139 2HH1 ARG 14 2HH1 ARG 14 6.192 -5.472 -3.520
140 1HH2 ARG 14 1HH2 ARG 14 3.398 -6.781 -5.166
141 2HH2 ARG 14 2HH2 ARG 14 5.129 -6.722 -5.115
142 H ARG 15 H ARG 15 3.012 -3.834 1.860
143 HA ARG 15 HA ARG 15 5.821 -4.176 2.660
144 1HB ARG 15 2HB ARG 15 3.346 -4.711 4.307
145 2HB ARG 15 1HB ARG 15 5.011 -4.770 4.868
146 1HG ARG 15 2HG ARG 15 5.047 -2.278 4.059
147 2HG ARG 15 1HG ARG 15 3.299 -2.416 4.255
148 1HD ARG 15 2HD ARG 15 4.048 -1.626 6.324
149 2HD ARG 15 1HD ARG 15 3.818 -3.356 6.577
150 HE ARG 15 HE ARG 15 6.495 -2.667 5.805
151 1HH1 ARG 15 1HH1 ARG 15 4.289 -2.934 8.497
152 2HH1 ARG 15 2HH1 ARG 15 5.547 -3.148 9.668
153 1HH2 ARG 15 1HH2 ARG 15 8.151 -2.951 7.344
154 2HH2 ARG 15 2HH2 ARG 15 7.739 -3.158 9.014
155 H TYR 16 H TYR 16 3.220 -5.741 1.196
156 HA TYR 16 HA TYR 16 2.598 -8.014 1.037
157 1HB TYR 16 2HB TYR 16 4.368 -9.041 -0.463
158 2HB TYR 16 1HB TYR 16 3.805 -7.443 -0.951
159 HD1 TYR 16 1HD TYR 16 6.650 -9.386 0.148
160 HD2 TYR 16 2HD TYR 16 5.161 -5.452 -0.436
161 HE1 TYR 16 1HE TYR 16 8.934 -8.511 0.308
162 HE2 TYR 16 2HE TYR 16 7.426 -4.558 -0.292
163 HH TYR 16 HH TYR 16 9.600 -5.150 0.580
164 H ARG 17 H ARG 17 4.938 -10.002 0.747
165 HA ARG 17 HA ARG 17 5.563 -11.794 2.035
166 1HB ARG 17 2HB ARG 17 7.349 -9.904 2.130
167 2HB ARG 17 1HB ARG 17 6.829 -9.725 3.804
168 1HG ARG 17 2HG ARG 17 7.744 -11.701 4.450
169 2HG ARG 17 1HG ARG 17 7.503 -12.456 2.873
170 1HD ARG 17 2HD ARG 17 9.822 -12.186 3.043
171 2HD ARG 17 1HD ARG 17 9.296 -10.842 2.029
172 HE ARG 17 HE ARG 17 9.295 -9.892 4.618
173 1HH1 ARG 17 1HH1 ARG 17 11.642 -11.228 2.407
174 2HH1 ARG 17 2HH1 ARG 17 12.968 -10.342 3.081
175 1HH2 ARG 17 1HH2 ARG 17 11.037 -8.726 5.505
176 2HH2 ARG 17 2HH2 ARG 17 12.625 -8.920 4.841
Start of MODEL 4
1 1H LYS 1 1HT LYS 1 -13.852 -3.954 3.195
2 2H LYS 1 2HT LYS 1 -13.094 -5.492 3.130
3 3H LYS 1 3HT LYS 1 -14.259 -5.056 1.948
4 HA LYS 1 HA LYS 1 -11.968 -4.951 1.170
5 1HB LYS 1 2HB LYS 1 -14.009 -3.541 0.417
6 2HB LYS 1 1HB LYS 1 -13.215 -2.214 1.252
7 1HG LYS 1 2HG LYS 1 -11.921 -3.834 -0.928
8 2HG LYS 1 1HG LYS 1 -12.783 -2.318 -1.199
9 1HD LYS 1 2HD LYS 1 -11.099 -1.601 0.801
10 2HD LYS 1 1HD LYS 1 -10.122 -2.803 -0.045
11 1HE LYS 1 2HE LYS 1 -9.999 -1.555 -1.962
12 2HE LYS 1 1HE LYS 1 -11.531 -0.737 -1.655
13 1HZ LYS 1 1HZ LYS 1 -9.561 0.710 -1.414
14 2HZ LYS 1 2HZ LYS 1 -9.040 -0.243 -0.118
15 3HZ LYS 1 3HZ LYS 1 -10.490 0.618 -0.004
16 H TRP 2 H TRP 2 -10.090 -4.966 2.271
17 HA TRP 2 HA TRP 2 -9.472 -3.346 4.479
18 1HB TRP 2 2HB TRP 2 -7.205 -4.216 4.191
19 2HB TRP 2 1HB TRP 2 -8.389 -5.498 3.971
20 HD1 TRP 2 HD TRP 2 -8.775 -3.938 0.860
21 HE1 TRP 2 1HE TRP 2 -7.197 -4.869 -0.925
22 HE3 TRP 2 3HE TRP 2 -5.437 -6.269 3.893
23 HZ2 TRP 2 2HZ TRP 2 -4.822 -6.421 -1.048
24 HZ3 TRP 2 3HZ TRP 2 -3.530 -7.452 2.882
25 HH2 TRP 2 HH TRP 2 -3.231 -7.532 0.460
26 H TYR 3 H TYR 3 -6.681 -2.783 3.076
27 HA TYR 3 HA TYR 3 -7.427 -0.438 1.524
28 1HB TYR 3 2HB TYR 3 -5.710 0.880 2.957
29 2HB TYR 3 1HB TYR 3 -7.329 0.628 3.603
30 HD1 TYR 3 1HD TYR 3 -6.638 0.927 5.904
31 HD2 TYR 3 2HD TYR 3 -4.864 -2.078 3.469
32 HE1 TYR 3 1HE TYR 3 -5.687 -0.126 7.912
33 HE2 TYR 3 2HE TYR 3 -3.904 -3.140 5.475
34 HH TYR 3 HH TYR 3 -4.255 -3.246 7.847
35 H PHE 4 H PHE 4 -5.743 -3.122 1.465
36 HA PHE 4 HA PHE 4 -3.497 -3.664 0.937
37 1HB PHE 4 2HB PHE 4 -3.442 -3.646 -1.529
38 2HB PHE 4 1HB PHE 4 -4.975 -4.203 -0.893
39 HD1 PHE 4 1HD PHE 4 -6.321 -1.574 -0.341
40 HD2 PHE 4 2HD PHE 4 -3.952 -2.892 -3.627
41 HE1 PHE 4 1HE PHE 4 -7.481 0.011 -1.813
42 HE2 PHE 4 2HE PHE 4 -5.103 -1.299 -5.097
43 HZ PHE 4 HZ PHE 4 -6.871 0.157 -4.194
44 H ARG 5 H ARG 5 -3.697 -1.005 -1.368
45 HA ARG 5 HA ARG 5 -1.260 0.113 -0.196
46 1HB ARG 5 2HB ARG 5 -2.109 0.709 -2.991
47 2HB ARG 5 1HB ARG 5 -0.494 0.683 -2.307
48 1HG ARG 5 2HG ARG 5 -0.222 -1.533 -2.688
49 2HG ARG 5 1HG ARG 5 -1.927 -1.902 -2.416
50 1HD ARG 5 2HD ARG 5 -1.814 -2.239 -4.670
51 2HD ARG 5 1HD ARG 5 -2.225 -0.525 -4.643
52 HE ARG 5 HE ARG 5 0.561 -0.760 -4.633
53 1HH1 ARG 5 1HH1 ARG 5 -2.139 -1.397 -6.753
54 2HH1 ARG 5 2HH1 ARG 5 -1.219 -1.160 -8.200
55 1HH2 ARG 5 1HH2 ARG 5 1.773 -0.449 -6.538
56 2HH2 ARG 5 2HH2 ARG 5 1.000 -0.623 -8.078
57 H VAL 6 H VAL 6 -3.755 1.255 -2.396
58 HA VAL 6 HA VAL 6 -4.965 3.182 -2.480
59 HB VAL 6 HB VAL 6 -4.848 2.706 0.496
60 1HG1 VAL 6 1HG1 VAL 6 -6.830 4.230 0.632
61 2HG1 VAL 6 2HG1 VAL 6 -6.516 4.712 -1.036
62 3HG1 VAL 6 3HG1 VAL 6 -5.324 5.048 0.217
63 1HG2 VAL 6 1HG2 VAL 6 -6.117 0.985 -0.260
64 2HG2 VAL 6 2HG2 VAL 6 -6.617 1.840 -1.719
65 3HG2 VAL 6 3HG2 VAL 6 -7.383 2.209 -0.173
66 H TYR 7 H TYR 7 -3.406 3.951 0.525
67 HA TYR 7 HA TYR 7 -1.836 5.454 1.128
68 1HB TYR 7 2HB TYR 7 -0.163 5.893 -0.293
69 2HB TYR 7 1HB TYR 7 -0.959 4.636 -1.205
70 HD1 TYR 7 1HD TYR 7 -1.520 8.368 -0.940
71 HD2 TYR 7 2HD TYR 7 -0.760 5.004 -3.426
72 HE1 TYR 7 1HE TYR 7 -1.573 9.820 -2.918
73 HE2 TYR 7 2HE TYR 7 -0.837 6.446 -5.413
74 HH TYR 7 HH TYR 7 -2.100 8.939 -5.834
75 H TYR 8 H TYR 8 -4.084 6.495 -1.287
76 HA TYR 8 HA TYR 8 -5.316 8.390 -1.571
77 1HB TYR 8 2HB TYR 8 -5.105 9.895 0.750
78 2HB TYR 8 1HB TYR 8 -6.396 8.772 0.355
79 HD1 TYR 8 1HD TYR 8 -3.615 9.499 2.519
80 HD2 TYR 8 2HD TYR 8 -6.258 6.414 1.255
81 HE1 TYR 8 1HE TYR 8 -3.005 8.185 4.496
82 HE2 TYR 8 2HE TYR 8 -5.663 5.087 3.239
83 HH TYR 8 HH TYR 8 -3.025 5.909 5.279
84 H ARG 9 H ARG 9 -2.977 9.627 0.711
85 HA ARG 9 HA ARG 9 -1.801 11.323 -1.376
86 1HB ARG 9 2HB ARG 9 -1.510 12.590 1.147
87 2HB ARG 9 1HB ARG 9 -2.418 13.154 -0.247
88 1HG ARG 9 2HG ARG 9 -4.375 11.888 0.563
89 2HG ARG 9 1HG ARG 9 -3.450 11.424 1.992
90 1HD ARG 9 2HD ARG 9 -4.039 14.266 1.172
91 2HD ARG 9 1HD ARG 9 -4.960 13.358 2.366
92 HE ARG 9 HE ARG 9 -3.201 13.561 3.864
93 1HH1 ARG 9 1HH1 ARG 9 -2.302 14.869 0.751
94 2HH1 ARG 9 2HH1 ARG 9 -0.890 15.665 1.357
95 1HH2 ARG 9 1HH2 ARG 9 -1.341 14.608 4.656
96 2HH2 ARG 9 2HH2 ARG 9 -0.344 15.516 3.570
97 H GLY 10 H GLY 10 -1.382 8.927 0.885
98 1HA GLY 10 2HA GLY 10 1.156 9.521 1.971
99 2HA GLY 10 1HA GLY 10 0.362 7.957 1.944
100 H ILE 11 H ILE 11 0.864 6.481 0.431
101 HA ILE 11 HA ILE 11 2.105 6.706 -1.966
102 HB ILE 11 HB ILE 11 3.909 7.864 -0.564
103 1HG1 ILE 11 2HG1 ILE 11 4.387 7.440 -2.813
104 2HG1 ILE 11 1HG1 ILE 11 5.710 6.642 -1.959
105 1HG2 ILE 11 1HG2 ILE 11 5.166 5.243 -0.111
106 2HG2 ILE 11 2HG2 ILE 11 3.909 5.726 1.019
107 3HG2 ILE 11 3HG2 ILE 11 5.320 6.748 0.791
108 1HD1 ILE 11 1HD1 ILE 11 3.241 5.356 -3.094
109 2HD1 ILE 11 2HD1 ILE 11 4.435 4.531 -2.089
110 3HD1 ILE 11 3HD1 ILE 11 4.908 5.175 -3.667
111 H TYR 12 H TYR 12 0.565 4.951 -1.778
112 HA TYR 12 HA TYR 12 -0.124 2.788 -1.365
113 1HB TYR 12 2HB TYR 12 2.118 2.817 -3.314
114 2HB TYR 12 1HB TYR 12 1.324 1.292 -2.922
115 HD1 TYR 12 1HD TYR 12 1.357 2.703 -5.646
116 HD2 TYR 12 2HD TYR 12 -1.425 2.760 -2.429
117 HE1 TYR 12 1HE TYR 12 -0.454 3.254 -7.218
118 HE2 TYR 12 2HE TYR 12 -3.230 3.315 -3.970
119 HH TYR 12 HH TYR 12 -3.302 4.506 -6.382
120 H TYR 13 H TYR 13 3.392 2.643 -0.961
121 HA TYR 13 HA TYR 13 4.560 1.722 0.712
122 1HB TYR 13 2HB TYR 13 2.269 0.441 2.114
123 2HB TYR 13 1HB TYR 13 3.660 1.298 2.777
124 HD1 TYR 13 1HD TYR 13 0.320 1.533 2.851
125 HD2 TYR 13 2HD TYR 13 3.640 3.800 1.475
126 HE1 TYR 13 1HE TYR 13 -1.052 3.582 2.936
127 HE2 TYR 13 2HE TYR 13 2.334 5.809 1.535
128 HH TYR 13 HH TYR 13 -0.070 6.408 3.175
129 H ARG 14 H ARG 14 2.086 -0.749 1.006
130 HA ARG 14 HA ARG 14 2.428 -2.588 -0.859
131 1HB ARG 14 2HB ARG 14 4.313 -4.086 -0.009
132 2HB ARG 14 1HB ARG 14 4.793 -2.628 -0.867
133 1HG ARG 14 2HG ARG 14 6.122 -2.182 0.851
134 2HG ARG 14 1HG ARG 14 4.667 -1.840 1.788
135 1HD ARG 14 2HD ARG 14 4.585 -4.307 2.324
136 2HD ARG 14 1HD ARG 14 6.199 -4.424 1.624
137 HE ARG 14 HE ARG 14 7.028 -3.551 3.555
138 1HH1 ARG 14 1HH1 ARG 14 3.659 -2.668 3.320
139 2HH1 ARG 14 2HH1 ARG 14 3.619 -1.917 4.881
140 1HH2 ARG 14 1HH2 ARG 14 6.976 -2.565 5.607
141 2HH2 ARG 14 2HH2 ARG 14 5.501 -1.859 6.178
142 H ARG 15 H ARG 15 0.734 -1.895 1.299
143 HA ARG 15 HA ARG 15 -0.476 -2.708 3.048
144 1HB ARG 15 2HB ARG 15 -1.243 -5.094 2.674
145 2HB ARG 15 1HB ARG 15 -1.545 -3.959 1.369
146 1HG ARG 15 2HG ARG 15 -0.814 -5.873 0.291
147 2HG ARG 15 1HG ARG 15 0.622 -4.857 0.341
148 1HD ARG 15 2HD ARG 15 1.713 -6.507 1.360
149 2HD ARG 15 1HD ARG 15 0.605 -6.365 2.724
150 HE ARG 15 HE ARG 15 -0.396 -7.947 0.531
151 1HH1 ARG 15 1HH1 ARG 15 1.414 -7.971 3.517
152 2HH1 ARG 15 2HH1 ARG 15 1.133 -9.653 3.817
153 1HH2 ARG 15 1HH2 ARG 15 -0.764 -10.159 0.927
154 2HH2 ARG 15 2HH2 ARG 15 -0.103 -10.895 2.347
155 H TYR 16 H TYR 16 -0.696 -4.760 4.607
156 HA TYR 16 HA TYR 16 1.797 -5.953 5.349
157 1HB TYR 16 2HB TYR 16 2.181 -4.822 7.392
158 2HB TYR 16 1HB TYR 16 1.908 -3.572 6.187
159 HD1 TYR 16 1HD TYR 16 -0.407 -2.515 6.066
160 HD2 TYR 16 2HD TYR 16 0.891 -4.882 9.354
161 HE1 TYR 16 1HE TYR 16 -2.163 -1.520 7.467
162 HE2 TYR 16 2HE TYR 16 -0.866 -3.896 10.764
163 HH TYR 16 HH TYR 16 -3.414 -2.599 9.895
164 H ARG 17 H ARG 17 -1.445 -5.067 6.520
165 HA ARG 17 HA ARG 17 -1.978 -7.864 7.079
166 1HB ARG 17 2HB ARG 17 -2.206 -5.747 9.225
167 2HB ARG 17 1HB ARG 17 -2.776 -7.402 9.372
168 1HG ARG 17 2HG ARG 17 0.097 -6.630 8.908
169 2HG ARG 17 1HG ARG 17 -0.606 -6.962 10.491
170 1HD ARG 17 2HD ARG 17 0.432 -8.789 8.552
171 2HD ARG 17 1HD ARG 17 -0.117 -9.107 10.192
172 HE ARG 17 HE ARG 17 -2.410 -9.266 9.157
173 1HH1 ARG 17 1HH1 ARG 17 0.483 -10.013 7.337
174 2HH1 ARG 17 2HH1 ARG 17 -0.334 -11.090 6.258
175 1HH2 ARG 17 1HH2 ARG 17 -3.471 -10.685 7.735
176 2HH2 ARG 17 2HH2 ARG 17 -2.570 -11.473 6.481
Start of MODEL 5
1 1H LYS 1 1HT LYS 1 1.674 -9.024 4.151
2 2H LYS 1 2HT LYS 1 0.715 -9.311 5.545
3 3H LYS 1 3HT LYS 1 1.828 -8.005 5.522
4 HA LYS 1 HA LYS 1 -0.516 -8.282 3.765
5 1HB LYS 1 2HB LYS 1 -0.036 -6.825 6.359
6 2HB LYS 1 1HB LYS 1 -1.288 -6.316 5.233
7 1HG LYS 1 2HG LYS 1 -1.423 -9.156 5.774
8 2HG LYS 1 1HG LYS 1 -1.531 -8.194 7.249
9 1HD LYS 1 2HD LYS 1 -3.746 -8.587 6.329
10 2HD LYS 1 1HD LYS 1 -3.340 -6.871 6.236
11 1HE LYS 1 2HE LYS 1 -2.430 -7.717 3.840
12 2HE LYS 1 1HE LYS 1 -3.760 -8.847 4.086
13 1HZ LYS 1 1HZ LYS 1 -5.276 -7.031 4.335
14 2HZ LYS 1 2HZ LYS 1 -4.404 -6.792 2.904
15 3HZ LYS 1 3HZ LYS 1 -4.022 -5.896 4.288
16 H TRP 2 H TRP 2 -0.085 -7.246 1.924
17 HA TRP 2 HA TRP 2 1.706 -4.946 1.958
18 1HB TRP 2 2HB TRP 2 2.501 -5.639 -0.069
19 2HB TRP 2 1HB TRP 2 1.895 -7.201 0.480
20 HD1 TRP 2 HD TRP 2 -0.232 -8.196 -0.785
21 HE1 TRP 2 1HE TRP 2 -1.508 -7.447 -2.891
22 HE3 TRP 2 3HE TRP 2 1.802 -3.608 -1.295
23 HZ2 TRP 2 2HZ TRP 2 -1.587 -5.171 -4.603
24 HZ3 TRP 2 3HZ TRP 2 1.111 -2.170 -3.195
25 HH2 TRP 2 HH TRP 2 -0.560 -2.944 -4.809
26 H TYR 3 H TYR 3 -1.487 -5.806 1.791
27 HA TYR 3 HA TYR 3 -3.390 -4.856 1.092
28 1HB TYR 3 2HB TYR 3 -3.193 -2.187 1.401
29 2HB TYR 3 1HB TYR 3 -3.302 -3.304 2.753
30 HD1 TYR 3 1HD TYR 3 -1.148 -0.981 0.961
31 HD2 TYR 3 2HD TYR 3 -1.304 -3.937 4.012
32 HE1 TYR 3 1HE TYR 3 1.046 -0.244 1.784
33 HE2 TYR 3 2HE TYR 3 0.878 -3.204 4.848
34 HH TYR 3 HH TYR 3 2.915 -1.107 3.095
35 H PHE 4 H PHE 4 -2.761 -1.828 -0.083
36 HA PHE 4 HA PHE 4 -1.776 -2.231 -2.650
37 1HB PHE 4 2HB PHE 4 -3.825 -2.371 -3.984
38 2HB PHE 4 1HB PHE 4 -3.699 -3.754 -2.907
39 HD1 PHE 4 1HD PHE 4 -6.103 -2.177 -4.350
40 HD2 PHE 4 2HD PHE 4 -4.670 -2.538 -0.356
41 HE1 PHE 4 1HE PHE 4 -8.359 -1.701 -3.495
42 HE2 PHE 4 2HE PHE 4 -6.913 -2.073 0.500
43 HZ PHE 4 HZ PHE 4 -8.769 -1.648 -1.067
44 H ARG 5 H ARG 5 -4.338 -0.564 -3.611
45 HA ARG 5 HA ARG 5 -3.105 1.960 -3.296
46 1HB ARG 5 2HB ARG 5 -6.005 1.653 -4.009
47 2HB ARG 5 1HB ARG 5 -4.841 2.833 -4.597
48 1HG ARG 5 2HG ARG 5 -3.670 0.910 -5.748
49 2HG ARG 5 1HG ARG 5 -5.087 -0.064 -5.352
50 1HD ARG 5 2HD ARG 5 -5.297 0.797 -7.595
51 2HD ARG 5 1HD ARG 5 -6.500 1.558 -6.559
52 HE ARG 5 HE ARG 5 -4.189 2.826 -7.792
53 1HH1 ARG 5 1HH1 ARG 5 -6.853 3.103 -5.546
54 2HH1 ARG 5 2HH1 ARG 5 -6.840 4.834 -5.558
55 1HH2 ARG 5 1HH2 ARG 5 -4.177 5.099 -7.801
56 2HH2 ARG 5 2HH2 ARG 5 -5.323 5.966 -6.833
57 H VAL 6 H VAL 6 -2.941 1.653 -0.915
58 HA VAL 6 HA VAL 6 -5.290 2.785 0.464
59 HB VAL 6 HB VAL 6 -3.067 1.170 1.683
60 1HG1 VAL 6 1HG1 VAL 6 -5.180 0.896 3.352
61 2HG1 VAL 6 2HG1 VAL 6 -5.476 2.516 2.718
62 3HG1 VAL 6 3HG1 VAL 6 -3.948 2.148 3.519
63 1HG2 VAL 6 1HG2 VAL 6 -4.570 -0.740 1.747
64 2HG2 VAL 6 2HG2 VAL 6 -4.325 -0.208 0.084
65 3HG2 VAL 6 3HG2 VAL 6 -5.822 0.194 0.928
66 H TYR 7 H TYR 7 -3.056 4.063 -0.958
67 HA TYR 7 HA TYR 7 -1.541 5.330 1.191
68 1HB TYR 7 2HB TYR 7 0.052 5.674 -0.380
69 2HB TYR 7 1HB TYR 7 -0.754 4.300 -1.115
70 HD1 TYR 7 1HD TYR 7 0.954 6.716 -2.295
71 HD2 TYR 7 2HD TYR 7 -3.214 5.817 -2.234
72 HE1 TYR 7 1HE TYR 7 0.646 8.024 -4.344
73 HE2 TYR 7 2HE TYR 7 -3.515 7.116 -4.289
74 HH TYR 7 HH TYR 7 -1.874 9.282 -5.362
75 H TYR 8 H TYR 8 -4.044 5.860 -1.007
76 HA TYR 8 HA TYR 8 -5.262 7.621 -1.715
77 1HB TYR 8 2HB TYR 8 -5.332 9.359 0.386
78 2HB TYR 8 1HB TYR 8 -6.364 7.960 0.153
79 HD1 TYR 8 1HD TYR 8 -5.846 5.828 1.311
80 HD2 TYR 8 2HD TYR 8 -3.727 9.416 2.183
81 HE1 TYR 8 1HE TYR 8 -5.027 4.828 3.400
82 HE2 TYR 8 2HE TYR 8 -2.910 8.430 4.277
83 HH TYR 8 HH TYR 8 -3.432 6.684 5.823
84 H ARG 9 H ARG 9 -3.138 9.439 0.429
85 HA ARG 9 HA ARG 9 -1.870 10.725 -1.874
86 1HB ARG 9 2HB ARG 9 -2.085 12.917 -0.836
87 2HB ARG 9 1HB ARG 9 -3.678 12.211 -1.064
88 1HG ARG 9 2HG ARG 9 -4.128 12.281 1.109
89 2HG ARG 9 1HG ARG 9 -2.574 11.559 1.532
90 1HD ARG 9 2HD ARG 9 -2.770 14.431 0.691
91 2HD ARG 9 1HD ARG 9 -3.100 13.949 2.354
92 HE ARG 9 HE ARG 9 -0.547 14.153 1.101
93 1HH1 ARG 9 1HH1 ARG 9 -2.342 12.408 3.535
94 2HH1 ARG 9 2HH1 ARG 9 -0.933 11.981 4.446
95 1HH2 ARG 9 1HH2 ARG 9 1.307 13.592 2.299
96 2HH2 ARG 9 2HH2 ARG 9 1.138 12.655 3.746
97 H GLY 10 H GLY 10 -1.007 8.615 -0.212
98 1HA GLY 10 2HA GLY 10 1.028 9.882 1.488
99 2HA GLY 10 1HA GLY 10 0.409 8.255 1.691
100 H ILE 11 H ILE 11 1.057 6.603 0.187
101 HA ILE 11 HA ILE 11 2.705 6.739 -1.953
102 HB ILE 11 HB ILE 11 4.231 8.097 -0.439
103 1HG1 ILE 11 2HG1 ILE 11 4.997 7.338 -2.567
104 2HG1 ILE 11 1HG1 ILE 11 6.283 7.052 -1.397
105 1HG2 ILE 11 1HG2 ILE 11 5.921 6.631 0.789
106 2HG2 ILE 11 2HG2 ILE 11 4.634 5.438 0.826
107 3HG2 ILE 11 3HG2 ILE 11 4.394 7.007 1.579
108 1HD1 ILE 11 1HD1 ILE 11 6.143 5.154 -2.808
109 2HD1 ILE 11 2HD1 ILE 11 4.395 5.040 -2.576
110 3HD1 ILE 11 3HD1 ILE 11 5.487 4.703 -1.231
111 H TYR 12 H TYR 12 1.043 4.958 -1.594
112 HA TYR 12 HA TYR 12 0.451 2.788 -1.203
113 1HB TYR 12 2HB TYR 12 2.927 2.841 -2.827
114 2HB TYR 12 1HB TYR 12 2.287 1.272 -2.340
115 HD1 TYR 12 1HD TYR 12 1.352 0.348 -4.273
116 HD2 TYR 12 2HD TYR 12 0.508 4.393 -3.280
117 HE1 TYR 12 1HE TYR 12 -0.304 0.441 -6.091
118 HE2 TYR 12 2HE TYR 12 -1.160 4.499 -5.082
119 HH TYR 12 HH TYR 12 -1.534 3.247 -7.315
120 H TYR 13 H TYR 13 3.918 2.602 -0.597
121 HA TYR 13 HA TYR 13 4.987 2.009 1.309
122 1HB TYR 13 2HB TYR 13 2.573 0.810 2.601
123 2HB TYR 13 1HB TYR 13 3.972 1.576 3.350
124 HD1 TYR 13 1HD TYR 13 3.998 4.041 1.622
125 HD2 TYR 13 2HD TYR 13 0.847 2.066 3.666
126 HE1 TYR 13 1HE TYR 13 2.756 6.113 1.660
127 HE2 TYR 13 2HE TYR 13 -0.421 4.169 3.748
128 HH TYR 13 HH TYR 13 0.133 6.656 3.670
129 H ARG 14 H ARG 14 4.649 0.481 -1.038
130 HA ARG 14 HA ARG 14 3.923 -2.135 -0.871
131 1HB ARG 14 2HB ARG 14 4.843 -1.028 -2.890
132 2HB ARG 14 1HB ARG 14 6.451 -1.135 -2.189
133 1HG ARG 14 2HG ARG 14 5.145 -3.709 -2.203
134 2HG ARG 14 1HG ARG 14 5.203 -3.003 -3.819
135 1HD ARG 14 2HD ARG 14 7.477 -3.079 -3.921
136 2HD ARG 14 1HD ARG 14 7.670 -2.867 -2.181
137 HE ARG 14 HE ARG 14 6.516 -5.368 -2.610
138 1HH1 ARG 14 1HH1 ARG 14 9.523 -3.726 -3.271
139 2HH1 ARG 14 2HH1 ARG 14 10.467 -5.176 -3.228
140 1HH2 ARG 14 1HH2 ARG 14 7.756 -7.274 -2.549
141 2HH2 ARG 14 2HH2 ARG 14 9.465 -7.192 -2.819
142 H ARG 15 H ARG 15 4.225 -3.193 1.041
143 HA ARG 15 HA ARG 15 6.582 -3.182 2.561
144 1HB ARG 15 2HB ARG 15 4.030 -4.528 2.617
145 2HB ARG 15 1HB ARG 15 5.321 -5.653 3.021
146 1HG ARG 15 2HG ARG 15 6.098 -3.725 4.606
147 2HG ARG 15 1HG ARG 15 4.418 -3.207 4.458
148 1HD ARG 15 2HD ARG 15 4.263 -4.586 6.278
149 2HD ARG 15 1HD ARG 15 3.928 -5.732 4.981
150 HE ARG 15 HE ARG 15 5.815 -6.852 5.580
151 1HH1 ARG 15 1HH1 ARG 15 6.113 -3.558 6.693
152 2HH1 ARG 15 2HH1 ARG 15 7.606 -3.842 7.523
153 1HH2 ARG 15 1HH2 ARG 15 7.780 -7.227 6.672
154 2HH2 ARG 15 2HH2 ARG 15 8.553 -5.924 7.510
155 H TYR 16 H TYR 16 5.402 -6.195 1.107
156 HA TYR 16 HA TYR 16 7.518 -6.634 -0.663
157 1HB TYR 16 2HB TYR 16 9.103 -7.896 0.499
158 2HB TYR 16 1HB TYR 16 8.717 -6.617 1.645
159 HD1 TYR 16 1HD TYR 16 6.261 -7.473 2.872
160 HD2 TYR 16 2HD TYR 16 9.610 -9.814 1.701
161 HE1 TYR 16 1HE TYR 16 5.645 -9.163 4.533
162 HE2 TYR 16 2HE TYR 16 9.011 -11.516 3.374
163 HH TYR 16 HH TYR 16 6.624 -10.962 5.787
164 H ARG 17 H ARG 17 5.065 -7.926 1.450
165 HA ARG 17 HA ARG 17 4.389 -9.907 -0.569
166 1HB ARG 17 2HB ARG 17 5.953 -10.912 1.204
167 2HB ARG 17 1HB ARG 17 4.604 -10.745 2.318
168 1HG ARG 17 2HG ARG 17 4.811 -13.004 1.324
169 2HG ARG 17 1HG ARG 17 3.257 -12.231 1.002
170 1HD ARG 17 2HD ARG 17 5.415 -11.826 -0.985
171 2HD ARG 17 1HD ARG 17 4.697 -13.434 -0.898
172 HE ARG 17 HE ARG 17 2.528 -11.862 -1.028
173 1HH1 ARG 17 1HH1 ARG 17 5.452 -11.944 -2.939
174 2HH1 ARG 17 2HH1 ARG 17 4.678 -11.350 -4.371
175 1HH2 ARG 17 1HH2 ARG 17 1.514 -11.086 -2.914
176 2HH2 ARG 17 2HH2 ARG 17 2.446 -10.864 -4.358
Start of MODEL 6
1 1H LYS 1 1HT LYS 1 -7.863 -11.133 4.925
2 2H LYS 1 2HT LYS 1 -7.181 -10.282 6.250
3 3H LYS 1 3HT LYS 1 -6.239 -10.589 4.850
4 HA LYS 1 HA LYS 1 -7.966 -9.289 3.610
5 1HB LYS 1 2HB LYS 1 -9.516 -9.419 5.624
6 2HB LYS 1 1HB LYS 1 -8.480 -8.223 6.388
7 1HG LYS 1 2HG LYS 1 -9.019 -7.091 3.946
8 2HG LYS 1 1HG LYS 1 -10.535 -7.894 4.358
9 1HD LYS 1 2HD LYS 1 -10.964 -6.031 5.536
10 2HD LYS 1 1HD LYS 1 -9.865 -6.724 6.730
11 1HE LYS 1 2HE LYS 1 -8.579 -5.223 4.551
12 2HE LYS 1 1HE LYS 1 -9.584 -4.263 5.636
13 1HZ LYS 1 1HZ LYS 1 -8.306 -4.951 7.490
14 2HZ LYS 1 2HZ LYS 1 -7.207 -4.459 6.302
15 3HZ LYS 1 3HZ LYS 1 -7.464 -6.106 6.583
16 H TRP 2 H TRP 2 -5.790 -8.814 2.916
17 HA TRP 2 HA TRP 2 -4.070 -7.151 4.428
18 1HB TRP 2 2HB TRP 2 -2.658 -7.324 2.529
19 2HB TRP 2 1HB TRP 2 -3.500 -8.867 2.633
20 HD1 TRP 2 HD TRP 2 -6.012 -8.647 1.024
21 HE1 TRP 2 1HE TRP 2 -6.041 -7.912 -1.436
22 HE3 TRP 2 3HE TRP 2 -1.591 -6.271 0.908
23 HZ2 TRP 2 2HZ TRP 2 -4.348 -6.489 -3.232
24 HZ3 TRP 2 3HZ TRP 2 -0.805 -5.226 -1.202
25 HH2 TRP 2 HH TRP 2 -2.171 -5.338 -3.232
26 H TYR 3 H TYR 3 -3.387 -5.488 2.007
27 HA TYR 3 HA TYR 3 -5.667 -3.816 1.511
28 1HB TYR 3 2HB TYR 3 -4.994 -1.871 2.702
29 2HB TYR 3 1HB TYR 3 -4.911 -3.199 3.855
30 HD1 TYR 3 1HD TYR 3 -3.203 -0.417 2.580
31 HD2 TYR 3 2HD TYR 3 -2.542 -4.370 3.999
32 HE1 TYR 3 1HE TYR 3 -0.855 0.152 3.054
33 HE2 TYR 3 2HE TYR 3 -0.196 -3.819 4.472
34 HH TYR 3 HH TYR 3 0.986 -1.012 4.891
35 H PHE 4 H PHE 4 -5.415 -3.387 -0.527
36 HA PHE 4 HA PHE 4 -3.016 -3.450 -1.986
37 1HB PHE 4 2HB PHE 4 -4.373 -2.487 -3.806
38 2HB PHE 4 1HB PHE 4 -5.237 -3.782 -2.987
39 HD1 PHE 4 1HD PHE 4 -5.498 -1.427 -0.612
40 HD2 PHE 4 2HD PHE 4 -6.798 -2.059 -4.619
41 HE1 PHE 4 1HE PHE 4 -7.377 0.068 -0.222
42 HE2 PHE 4 2HE PHE 4 -8.694 -0.541 -4.233
43 HZ PHE 4 HZ PHE 4 -8.994 0.527 -2.032
44 H ARG 5 H ARG 5 -4.113 -0.678 -3.240
45 HA ARG 5 HA ARG 5 -1.984 0.919 -2.586
46 1HB ARG 5 2HB ARG 5 -4.714 2.026 -3.197
47 2HB ARG 5 1HB ARG 5 -3.151 2.716 -3.608
48 1HG ARG 5 2HG ARG 5 -4.593 0.414 -4.867
49 2HG ARG 5 1HG ARG 5 -3.965 1.878 -5.620
50 1HD ARG 5 2HD ARG 5 -1.941 0.173 -4.330
51 2HD ARG 5 1HD ARG 5 -2.757 -0.553 -5.710
52 HE ARG 5 HE ARG 5 -0.847 1.572 -5.760
53 1HH1 ARG 5 1HH1 ARG 5 -3.602 0.217 -7.419
54 2HH1 ARG 5 2HH1 ARG 5 -3.152 0.870 -8.958
55 1HH2 ARG 5 1HH2 ARG 5 -0.251 2.424 -7.782
56 2HH2 ARG 5 2HH2 ARG 5 -1.249 2.123 -9.165
57 H VAL 6 H VAL 6 -5.017 2.343 -1.595
58 HA VAL 6 HA VAL 6 -5.741 3.224 0.389
59 HB VAL 6 HB VAL 6 -3.625 1.590 1.749
60 1HG1 VAL 6 1HG1 VAL 6 -4.528 2.822 3.435
61 2HG1 VAL 6 2HG1 VAL 6 -5.714 1.517 3.416
62 3HG1 VAL 6 3HG1 VAL 6 -6.068 3.042 2.603
63 1HG2 VAL 6 1HG2 VAL 6 -5.293 0.397 0.074
64 2HG2 VAL 6 2HG2 VAL 6 -6.382 0.508 1.455
65 3HG2 VAL 6 3HG2 VAL 6 -4.844 -0.339 1.607
66 H TYR 7 H TYR 7 -3.213 4.105 -1.066
67 HA TYR 7 HA TYR 7 -1.748 5.426 1.068
68 1HB TYR 7 2HB TYR 7 -0.081 5.571 -0.451
69 2HB TYR 7 1HB TYR 7 -0.982 4.254 -1.190
70 HD1 TYR 7 1HD TYR 7 -3.203 5.624 -2.578
71 HD2 TYR 7 2HD TYR 7 0.883 6.834 -2.174
72 HE1 TYR 7 1HE TYR 7 -3.362 6.906 -4.663
73 HE2 TYR 7 2HE TYR 7 0.702 8.125 -4.252
74 HH TYR 7 HH TYR 7 -1.697 7.737 -6.466
75 H TYR 8 H TYR 8 -3.996 6.044 -1.403
76 HA TYR 8 HA TYR 8 -4.974 7.847 -2.305
77 1HB TYR 8 2HB TYR 8 -5.622 9.451 -0.247
78 2HB TYR 8 1HB TYR 8 -6.448 7.971 -0.704
79 HD1 TYR 8 1HD TYR 8 -6.525 6.105 0.723
80 HD2 TYR 8 2HD TYR 8 -3.950 9.359 1.685
81 HE1 TYR 8 1HE TYR 8 -6.130 5.134 2.945
82 HE2 TYR 8 2HE TYR 8 -3.549 8.392 3.903
83 HH TYR 8 HH TYR 8 -5.411 5.795 5.143
84 H ARG 9 H ARG 9 -3.109 9.333 0.272
85 HA ARG 9 HA ARG 9 -1.603 10.875 -1.678
86 1HB ARG 9 2HB ARG 9 -1.993 12.973 -0.569
87 2HB ARG 9 1HB ARG 9 -3.562 12.257 -0.908
88 1HG ARG 9 2HG ARG 9 -3.411 11.343 1.501
89 2HG ARG 9 1HG ARG 9 -2.161 12.571 1.713
90 1HD ARG 9 2HD ARG 9 -4.089 13.674 2.386
91 2HD ARG 9 1HD ARG 9 -3.904 14.189 0.709
92 HE ARG 9 HE ARG 9 -5.511 12.032 0.502
93 1HH1 ARG 9 1HH1 ARG 9 -5.651 14.906 2.478
94 2HH1 ARG 9 2HH1 ARG 9 -7.380 14.921 2.551
95 1HH2 ARG 9 1HH2 ARG 9 -7.787 12.052 0.597
96 2HH2 ARG 9 2HH2 ARG 9 -8.592 13.303 1.486
97 H GLY 10 H GLY 10 -1.022 8.604 -0.107
98 1HA GLY 10 2HA GLY 10 0.811 9.635 1.939
99 2HA GLY 10 1HA GLY 10 0.165 8.002 1.876
100 H ILE 11 H ILE 11 0.957 6.548 0.237
101 HA ILE 11 HA ILE 11 2.773 6.923 -1.705
102 HB ILE 11 HB ILE 11 4.128 8.042 0.143
103 1HG1 ILE 11 2HG1 ILE 11 5.038 7.642 -2.039
104 2HG1 ILE 11 1HG1 ILE 11 6.262 7.233 -0.836
105 1HG2 ILE 11 1HG2 ILE 11 4.335 6.750 1.971
106 2HG2 ILE 11 2HG2 ILE 11 5.794 6.259 1.115
107 3HG2 ILE 11 3HG2 ILE 11 4.359 5.254 1.051
108 1HD1 ILE 11 1HD1 ILE 11 6.287 5.543 -2.495
109 2HD1 ILE 11 2HD1 ILE 11 4.531 5.358 -2.404
110 3HD1 ILE 11 3HD1 ILE 11 5.540 4.865 -1.044
111 H TYR 12 H TYR 12 1.056 5.127 -1.692
112 HA TYR 12 HA TYR 12 0.425 2.947 -1.681
113 1HB TYR 12 2HB TYR 12 3.160 2.963 -2.890
114 2HB TYR 12 1HB TYR 12 2.073 1.577 -2.993
115 HD1 TYR 12 1HD TYR 12 -0.519 3.051 -3.337
116 HD2 TYR 12 2HD TYR 12 3.285 3.636 -5.151
117 HE1 TYR 12 1HE TYR 12 -1.616 4.078 -5.276
118 HE2 TYR 12 2HE TYR 12 2.199 4.661 -7.106
119 HH TYR 12 HH TYR 12 -0.589 4.334 -8.051
120 H TYR 13 H TYR 13 3.824 2.612 -0.800
121 HA TYR 13 HA TYR 13 4.691 1.787 1.134
122 1HB TYR 13 2HB TYR 13 2.084 0.504 1.907
123 2HB TYR 13 1HB TYR 13 3.441 0.933 2.945
124 HD1 TYR 13 1HD TYR 13 0.542 1.703 3.447
125 HD2 TYR 13 2HD TYR 13 3.701 3.702 1.434
126 HE1 TYR 13 1HE TYR 13 -0.531 3.868 3.910
127 HE2 TYR 13 2HE TYR 13 2.650 5.850 1.856
128 HH TYR 13 HH TYR 13 -0.555 6.135 3.053
129 H ARG 14 H ARG 14 4.380 0.567 -1.500
130 HA ARG 14 HA ARG 14 4.716 -1.402 -2.604
131 1HB ARG 14 2HB ARG 14 6.147 -2.269 -0.096
132 2HB ARG 14 1HB ARG 14 6.489 -2.741 -1.755
133 1HG ARG 14 2HG ARG 14 6.739 0.106 -0.850
134 2HG ARG 14 1HG ARG 14 8.050 -1.058 -0.642
135 1HD ARG 14 2HD ARG 14 8.665 -0.791 -2.758
136 2HD ARG 14 1HD ARG 14 7.053 -1.244 -3.312
137 HE ARG 14 HE ARG 14 6.741 1.336 -2.577
138 1HH1 ARG 14 1HH1 ARG 14 9.031 -0.282 -4.655
139 2HH1 ARG 14 2HH1 ARG 14 9.261 1.093 -5.681
140 1HH2 ARG 14 1HH2 ARG 14 7.039 3.144 -3.929
141 2HH2 ARG 14 2HH2 ARG 14 8.131 3.038 -5.270
142 H ARG 15 H ARG 15 4.885 -3.997 -2.013
143 HA ARG 15 HA ARG 15 2.286 -4.589 -0.765
144 1HB ARG 15 2HB ARG 15 3.733 -6.388 -2.697
145 2HB ARG 15 1HB ARG 15 2.035 -6.418 -2.243
146 1HG ARG 15 2HG ARG 15 1.778 -4.203 -3.367
147 2HG ARG 15 1HG ARG 15 3.432 -4.380 -3.956
148 1HD ARG 15 2HD ARG 15 1.031 -6.075 -4.592
149 2HD ARG 15 1HD ARG 15 2.029 -5.135 -5.701
150 HE ARG 15 HE ARG 15 2.529 -7.790 -4.766
151 1HH1 ARG 15 1HH1 ARG 15 4.058 -4.863 -5.892
152 2HH1 ARG 15 2HH1 ARG 15 5.478 -5.675 -6.460
153 1HH2 ARG 15 1HH2 ARG 15 4.395 -8.860 -5.513
154 2HH2 ARG 15 2HH2 ARG 15 5.669 -7.944 -6.246
155 H TYR 16 H TYR 16 2.879 -4.975 1.331
156 HA TYR 16 HA TYR 16 5.169 -6.389 2.142
157 1HB TYR 16 2HB TYR 16 4.316 -6.243 4.319
158 2HB TYR 16 1HB TYR 16 3.601 -4.853 3.513
159 HD1 TYR 16 1HD TYR 16 2.620 -6.205 6.065
160 HD2 TYR 16 2HD TYR 16 1.538 -6.709 1.981
161 HE1 TYR 16 1HE TYR 16 0.388 -6.974 6.755
162 HE2 TYR 16 2HE TYR 16 -0.690 -7.482 2.660
163 HH TYR 16 HH TYR 16 -1.458 -8.264 5.909
164 H ARG 17 H ARG 17 3.941 -8.279 3.996
165 HA ARG 17 HA ARG 17 3.465 -10.499 4.104
166 1HB ARG 17 2HB ARG 17 1.371 -9.337 2.826
167 2HB ARG 17 1HB ARG 17 1.870 -10.513 1.615
168 1HG ARG 17 2HG ARG 17 1.186 -12.275 2.843
169 2HG ARG 17 1HG ARG 17 1.639 -11.521 4.375
170 1HD ARG 17 2HD ARG 17 -0.410 -10.672 4.693
171 2HD ARG 17 1HD ARG 17 -0.563 -10.171 3.010
172 HE ARG 17 HE ARG 17 -1.702 -12.467 4.180
173 1HH1 ARG 17 1HH1 ARG 17 -0.095 -11.433 1.259
174 2HH1 ARG 17 2HH1 ARG 17 -0.868 -12.620 0.263
175 1HH2 ARG 17 1HH2 ARG 17 -2.721 -14.029 2.873
176 2HH2 ARG 17 2HH2 ARG 17 -2.361 -14.095 1.180
Start of MODEL 7
1 1H LYS 1 1HT LYS 1 -8.078 -9.815 2.805
2 2H LYS 1 2HT LYS 1 -9.452 -9.824 3.835
3 3H LYS 1 3HT LYS 1 -7.876 -9.695 4.502
4 HA LYS 1 HA LYS 1 -9.100 -7.724 2.693
5 1HB LYS 1 2HB LYS 1 -10.091 -8.189 5.084
6 2HB LYS 1 1HB LYS 1 -8.663 -7.324 5.630
7 1HG LYS 1 2HG LYS 1 -9.469 -5.339 4.990
8 2HG LYS 1 1HG LYS 1 -10.126 -5.980 3.483
9 1HD LYS 1 2HD LYS 1 -12.053 -6.854 4.647
10 2HD LYS 1 1HD LYS 1 -11.377 -6.362 6.201
11 1HE LYS 1 2HE LYS 1 -12.048 -4.455 3.966
12 2HE LYS 1 1HE LYS 1 -13.133 -4.829 5.305
13 1HZ LYS 1 1HZ LYS 1 -11.036 -4.155 6.698
14 2HZ LYS 1 2HZ LYS 1 -12.103 -2.983 6.109
15 3HZ LYS 1 3HZ LYS 1 -10.648 -3.281 5.302
16 H TRP 2 H TRP 2 -6.954 -7.907 1.642
17 HA TRP 2 HA TRP 2 -4.549 -7.331 2.966
18 1HB TRP 2 2HB TRP 2 -3.659 -6.988 0.732
19 2HB TRP 2 1HB TRP 2 -4.773 -8.346 0.708
20 HD1 TRP 2 HD TRP 2 -7.148 -5.788 0.752
21 HE1 TRP 2 1HE TRP 2 -7.801 -5.007 -1.591
22 HE3 TRP 2 3HE TRP 2 -3.237 -7.709 -1.852
23 HZ2 TRP 2 2HZ TRP 2 -6.800 -5.172 -4.238
24 HZ3 TRP 2 3HZ TRP 2 -3.136 -7.363 -4.292
25 HH2 TRP 2 HH TRP 2 -4.887 -6.119 -5.460
26 H TYR 3 H TYR 3 -3.699 -5.174 1.088
27 HA TYR 3 HA TYR 3 -5.163 -2.851 2.080
28 1HB TYR 3 2HB TYR 3 -2.948 -1.777 2.690
29 2HB TYR 3 1HB TYR 3 -3.485 -3.065 3.764
30 HD1 TYR 3 1HD TYR 3 -1.121 -3.197 4.547
31 HD2 TYR 3 2HD TYR 3 -2.222 -4.076 0.530
32 HE1 TYR 3 1HE TYR 3 1.016 -4.368 4.225
33 HE2 TYR 3 2HE TYR 3 -0.086 -5.253 0.198
34 HH TYR 3 HH TYR 3 1.781 -6.363 2.501
35 H PHE 4 H PHE 4 -4.466 -4.315 -0.524
36 HA PHE 4 HA PHE 4 -3.446 -3.875 -2.573
37 1HB PHE 4 2HB PHE 4 -4.919 -2.302 -3.780
38 2HB PHE 4 1HB PHE 4 -5.808 -3.449 -2.791
39 HD1 PHE 4 1HD PHE 4 -6.006 -0.308 -3.908
40 HD2 PHE 4 2HD PHE 4 -5.917 -2.362 -0.182
41 HE1 PHE 4 1HE PHE 4 -7.198 1.567 -2.850
42 HE2 PHE 4 2HE PHE 4 -7.094 -0.482 0.885
43 HZ PHE 4 HZ PHE 4 -7.747 1.480 -0.453
44 H ARG 5 H ARG 5 -4.079 -0.494 -1.575
45 HA ARG 5 HA ARG 5 -1.238 0.064 -1.915
46 1HB ARG 5 2HB ARG 5 -3.111 2.075 -3.039
47 2HB ARG 5 1HB ARG 5 -1.473 1.667 -3.526
48 1HG ARG 5 2HG ARG 5 -3.842 -0.112 -4.049
49 2HG ARG 5 1HG ARG 5 -3.255 1.101 -5.188
50 1HD ARG 5 2HD ARG 5 -0.982 -0.317 -4.470
51 2HD ARG 5 1HD ARG 5 -2.233 -1.550 -4.607
52 HE ARG 5 HE ARG 5 -2.561 -0.098 -6.861
53 1HH1 ARG 5 1HH1 ARG 5 0.218 -1.619 -5.394
54 2HH1 ARG 5 2HH1 ARG 5 1.009 -1.916 -6.905
55 1HH2 ARG 5 1HH2 ARG 5 -1.521 -0.489 -8.848
56 2HH2 ARG 5 2HH2 ARG 5 0.022 -1.274 -8.867
57 H VAL 6 H VAL 6 -4.332 1.556 -1.164
58 HA VAL 6 HA VAL 6 -4.907 3.248 0.269
59 HB VAL 6 HB VAL 6 -3.196 1.671 2.146
60 1HG1 VAL 6 1HG1 VAL 6 -5.580 3.445 2.616
61 2HG1 VAL 6 2HG1 VAL 6 -3.915 3.755 3.106
62 3HG1 VAL 6 3HG1 VAL 6 -4.822 2.441 3.852
63 1HG2 VAL 6 1HG2 VAL 6 -4.745 0.220 0.907
64 2HG2 VAL 6 2HG2 VAL 6 -6.087 1.211 1.480
65 3HG2 VAL 6 3HG2 VAL 6 -5.116 0.291 2.629
66 H TYR 7 H TYR 7 -4.125 5.135 -0.137
67 HA TYR 7 HA TYR 7 -1.997 6.211 1.365
68 1HB TYR 7 2HB TYR 7 -0.232 5.863 0.032
69 2HB TYR 7 1HB TYR 7 -1.240 4.789 -0.916
70 HD1 TYR 7 1HD TYR 7 1.015 7.318 -1.288
71 HD2 TYR 7 2HD TYR 7 -2.953 6.362 -2.527
72 HE1 TYR 7 1HE TYR 7 1.290 8.762 -3.249
73 HE2 TYR 7 2HE TYR 7 -2.671 7.804 -4.499
74 HH TYR 7 HH TYR 7 -0.517 8.640 -5.890
75 H TYR 8 H TYR 8 -4.028 6.326 -1.425
76 HA TYR 8 HA TYR 8 -5.139 7.979 -2.523
77 1HB TYR 8 2HB TYR 8 -5.530 9.932 -0.608
78 2HB TYR 8 1HB TYR 8 -6.582 8.571 -0.958
79 HD1 TYR 8 1HD TYR 8 -4.545 10.131 1.534
80 HD2 TYR 8 2HD TYR 8 -6.136 6.376 0.308
81 HE1 TYR 8 1HE TYR 8 -4.151 9.236 3.782
82 HE2 TYR 8 2HE TYR 8 -5.724 5.456 2.555
83 HH TYR 8 HH TYR 8 -3.843 7.106 4.890
84 H ARG 9 H ARG 9 -3.227 9.728 -0.204
85 HA ARG 9 HA ARG 9 -1.498 10.889 -2.217
86 1HB ARG 9 2HB ARG 9 -1.878 13.158 -1.483
87 2HB ARG 9 1HB ARG 9 -3.443 12.470 -1.891
88 1HG ARG 9 2HG ARG 9 -3.423 11.891 0.707
89 2HG ARG 9 1HG ARG 9 -2.362 13.303 0.732
90 1HD ARG 9 2HD ARG 9 -4.017 14.721 -0.054
91 2HD ARG 9 1HD ARG 9 -4.957 13.403 -0.749
92 HE ARG 9 HE ARG 9 -5.992 13.114 1.273
93 1HH1 ARG 9 1HH1 ARG 9 -3.166 15.114 1.719
94 2HH1 ARG 9 2HH1 ARG 9 -3.552 15.509 3.360
95 1HH2 ARG 9 1HH2 ARG 9 -6.502 13.636 3.430
96 2HH2 ARG 9 2HH2 ARG 9 -5.445 14.670 4.331
97 H GLY 10 H GLY 10 -1.092 8.844 -0.469
98 1HA GLY 10 2HA GLY 10 0.373 10.044 1.771
99 2HA GLY 10 1HA GLY 10 -0.439 8.507 1.845
100 H ILE 11 H ILE 11 0.523 6.682 0.968
101 HA ILE 11 HA ILE 11 3.303 6.914 0.180
102 HB ILE 11 HB ILE 11 3.761 5.517 2.218
103 1HG1 ILE 11 2HG1 ILE 11 2.206 5.216 3.864
104 2HG1 ILE 11 1HG1 ILE 11 1.398 6.729 3.485
105 1HG2 ILE 11 1HG2 ILE 11 4.176 8.005 1.814
106 2HG2 ILE 11 2HG2 ILE 11 4.356 7.338 3.439
107 3HG2 ILE 11 3HG2 ILE 11 2.884 8.206 2.996
108 1HD1 ILE 11 1HD1 ILE 11 -0.129 5.696 2.218
109 2HD1 ILE 11 2HD1 ILE 11 0.468 4.194 2.888
110 3HD1 ILE 11 3HD1 ILE 11 1.081 4.760 1.326
111 H TYR 12 H TYR 12 1.444 5.519 -1.274
112 HA TYR 12 HA TYR 12 0.719 3.068 -1.277
113 1HB TYR 12 2HB TYR 12 2.358 4.604 -3.038
114 2HB TYR 12 1HB TYR 12 2.613 2.880 -3.285
115 HD1 TYR 12 1HD TYR 12 1.389 2.140 -5.133
116 HD2 TYR 12 2HD TYR 12 -0.260 4.989 -2.471
117 HE1 TYR 12 1HE TYR 12 -0.706 2.079 -6.426
118 HE2 TYR 12 2HE TYR 12 -2.402 4.937 -3.754
119 HH TYR 12 HH TYR 12 -3.221 4.366 -5.941
120 H TYR 13 H TYR 13 1.280 1.009 -0.856
121 HA TYR 13 HA TYR 13 4.048 0.457 -0.024
122 1HB TYR 13 2HB TYR 13 1.619 -1.204 0.656
123 2HB TYR 13 1HB TYR 13 3.209 -1.248 1.415
124 HD1 TYR 13 1HD TYR 13 0.531 -0.889 2.848
125 HD2 TYR 13 2HD TYR 13 3.373 1.891 1.345
126 HE1 TYR 13 1HE TYR 13 -0.204 0.760 4.512
127 HE2 TYR 13 2HE TYR 13 2.637 3.552 2.974
128 HH TYR 13 HH TYR 13 0.583 2.737 5.620
129 H ARG 14 H ARG 14 1.299 -0.860 -1.825
130 HA ARG 14 HA ARG 14 1.138 -2.601 -3.307
131 1HB ARG 14 2HB ARG 14 2.450 -2.252 -5.298
132 2HB ARG 14 1HB ARG 14 1.991 -0.690 -4.635
133 1HG ARG 14 2HG ARG 14 4.611 -1.758 -3.787
134 2HG ARG 14 1HG ARG 14 4.460 -1.266 -5.474
135 1HD ARG 14 2HD ARG 14 4.095 0.939 -4.942
136 2HD ARG 14 1HD ARG 14 3.449 0.559 -3.346
137 HE ARG 14 HE ARG 14 5.560 0.761 -2.513
138 1HH1 ARG 14 1HH1 ARG 14 5.794 0.163 -5.943
139 2HH1 ARG 14 2HH1 ARG 14 7.514 0.368 -5.988
140 1HH2 ARG 14 1HH2 ARG 14 7.821 1.029 -2.569
141 2HH2 ARG 14 2HH2 ARG 14 8.665 0.859 -4.073
142 H ARG 15 H ARG 15 2.185 -3.686 -1.087
143 HA ARG 15 HA ARG 15 4.193 -5.547 -2.164
144 1HB ARG 15 2HB ARG 15 5.102 -5.695 0.198
145 2HB ARG 15 1HB ARG 15 5.445 -4.206 -0.671
146 1HG ARG 15 2HG ARG 15 4.368 -2.963 0.825
147 2HG ARG 15 1HG ARG 15 2.978 -4.051 0.852
148 1HD ARG 15 2HD ARG 15 3.623 -4.616 2.910
149 2HD ARG 15 1HD ARG 15 4.957 -5.482 2.150
150 HE ARG 15 HE ARG 15 5.096 -3.003 3.613
151 1HH1 ARG 15 1HH1 ARG 15 6.666 -5.038 1.251
152 2HH1 ARG 15 2HH1 ARG 15 8.237 -4.370 1.536
153 1HH2 ARG 15 1HH2 ARG 15 7.162 -2.127 3.991
154 2HH2 ARG 15 2HH2 ARG 15 8.520 -2.719 3.093
155 H TYR 16 H TYR 16 1.447 -5.993 -2.258
156 HA TYR 16 HA TYR 16 0.694 -7.645 -0.009
157 1HB TYR 16 2HB TYR 16 -1.384 -8.025 -1.245
158 2HB TYR 16 1HB TYR 16 -1.002 -6.307 -1.188
159 HD1 TYR 16 1HD TYR 16 -0.779 -5.059 -3.173
160 HD2 TYR 16 2HD TYR 16 -0.858 -9.307 -3.362
161 HE1 TYR 16 1HE TYR 16 -0.953 -4.941 -5.623
162 HE2 TYR 16 2HE TYR 16 -1.029 -9.205 -5.811
163 HH TYR 16 HH TYR 16 -1.682 -6.283 -7.486
164 H ARG 17 H ARG 17 -0.522 -9.809 -0.965
165 HA ARG 17 HA ARG 17 -0.139 -11.975 -1.546
166 1HB ARG 17 2HB ARG 17 -0.362 -11.107 -3.801
167 2HB ARG 17 1HB ARG 17 1.328 -10.619 -3.815
168 1HG ARG 17 2HG ARG 17 1.075 -12.629 -5.096
169 2HG ARG 17 1HG ARG 17 1.974 -12.998 -3.622
170 1HD ARG 17 2HD ARG 17 0.510 -14.677 -3.383
171 2HD ARG 17 1HD ARG 17 -0.604 -13.427 -2.833
172 HE ARG 17 HE ARG 17 -1.794 -13.671 -4.777
173 1HH1 ARG 17 1HH1 ARG 17 1.292 -15.266 -5.122
174 2HH1 ARG 17 2HH1 ARG 17 0.876 -16.017 -6.625
175 1HH2 ARG 17 1HH2 ARG 17 -2.342 -14.660 -6.753
176 2HH2 ARG 17 2HH2 ARG 17 -1.186 -15.673 -7.552
Start of MODEL 8
1 1H LYS 1 1HT LYS 1 3.529 -9.262 4.222
2 2H LYS 1 2HT LYS 1 4.260 -8.918 2.708
3 3H LYS 1 3HT LYS 1 4.052 -10.546 3.214
4 HA LYS 1 HA LYS 1 2.469 -9.680 1.521
5 1HB LYS 1 2HB LYS 1 2.143 -11.731 2.815
6 2HB LYS 1 1HB LYS 1 1.482 -10.801 4.152
7 1HG LYS 1 2HG LYS 1 -0.151 -10.022 2.141
8 2HG LYS 1 1HG LYS 1 0.223 -11.672 1.649
9 1HD LYS 1 2HD LYS 1 -1.654 -11.948 2.987
10 2HD LYS 1 1HD LYS 1 -0.326 -12.280 4.101
11 1HE LYS 1 2HE LYS 1 -1.832 -10.862 5.255
12 2HE LYS 1 1HE LYS 1 -0.455 -9.861 4.794
13 1HZ LYS 1 1HZ LYS 1 -1.688 -8.876 3.063
14 2HZ LYS 1 2HZ LYS 1 -2.713 -8.870 4.408
15 3HZ LYS 1 3HZ LYS 1 -2.936 -10.012 3.181
16 H TRP 2 H TRP 2 2.136 -7.497 1.199
17 HA TRP 2 HA TRP 2 1.169 -5.712 3.144
18 1HB TRP 2 2HB TRP 2 1.002 -4.176 1.313
19 2HB TRP 2 1HB TRP 2 2.410 -5.183 1.019
20 HD1 TRP 2 HD TRP 2 0.270 -7.614 -0.019
21 HE1 TRP 2 1HE TRP 2 -0.467 -7.397 -2.459
22 HE3 TRP 2 3HE TRP 2 1.462 -2.763 -0.768
23 HZ2 TRP 2 2HZ TRP 2 -0.541 -5.406 -4.482
24 HZ3 TRP 2 3HZ TRP 2 1.036 -1.734 -2.976
25 HH2 TRP 2 HH TRP 2 0.056 -3.039 -4.797
26 H TYR 3 H TYR 3 -0.887 -4.559 1.248
27 HA TYR 3 HA TYR 3 -3.096 -6.422 1.689
28 1HB TYR 3 2HB TYR 3 -4.478 -4.338 2.269
29 2HB TYR 3 1HB TYR 3 -3.391 -4.964 3.503
30 HD1 TYR 3 1HD TYR 3 -0.911 -3.896 3.323
31 HD2 TYR 3 2HD TYR 3 -4.505 -2.058 1.980
32 HE1 TYR 3 1HE TYR 3 0.166 -1.692 3.475
33 HE2 TYR 3 2HE TYR 3 -3.434 0.148 2.136
34 HH TYR 3 HH TYR 3 -1.119 1.076 2.079
35 H PHE 4 H PHE 4 -2.452 -3.238 0.298
36 HA PHE 4 HA PHE 4 -2.713 -3.828 -2.365
37 1HB PHE 4 2HB PHE 4 -5.111 -3.098 -2.794
38 2HB PHE 4 1HB PHE 4 -4.922 -4.677 -2.047
39 HD1 PHE 4 1HD PHE 4 -5.715 -5.114 0.146
40 HD2 PHE 4 2HD PHE 4 -5.880 -1.169 -1.447
41 HE1 PHE 4 1HE PHE 4 -7.172 -4.437 1.996
42 HE2 PHE 4 2HE PHE 4 -7.355 -0.485 0.385
43 HZ PHE 4 HZ PHE 4 -8.006 -2.117 2.121
44 H ARG 5 H ARG 5 -4.603 -1.551 -2.961
45 HA ARG 5 HA ARG 5 -2.750 0.535 -3.101
46 1HB ARG 5 2HB ARG 5 -5.749 0.863 -3.155
47 2HB ARG 5 1HB ARG 5 -4.543 1.849 -3.974
48 1HG ARG 5 2HG ARG 5 -5.329 -0.984 -4.625
49 2HG ARG 5 1HG ARG 5 -5.643 0.460 -5.583
50 1HD ARG 5 2HD ARG 5 -3.452 0.638 -6.279
51 2HD ARG 5 1HD ARG 5 -2.828 -0.265 -4.902
52 HE ARG 5 HE ARG 5 -3.097 -2.189 -6.102
53 1HH1 ARG 5 1HH1 ARG 5 -5.003 0.327 -7.590
54 2HH1 ARG 5 2HH1 ARG 5 -5.434 -0.639 -8.960
55 1HH2 ARG 5 1HH2 ARG 5 -3.663 -3.460 -7.906
56 2HH2 ARG 5 2HH2 ARG 5 -4.673 -2.788 -9.142
57 H VAL 6 H VAL 6 -5.169 2.370 -2.093
58 HA VAL 6 HA VAL 6 -5.951 3.225 -0.095
59 HB VAL 6 HB VAL 6 -3.607 1.821 1.121
60 1HG1 VAL 6 1HG1 VAL 6 -3.840 3.406 2.713
61 2HG1 VAL 6 2HG1 VAL 6 -5.206 2.417 3.226
62 3HG1 VAL 6 3HG1 VAL 6 -5.475 3.826 2.200
63 1HG2 VAL 6 1HG2 VAL 6 -5.176 0.172 0.548
64 2HG2 VAL 6 2HG2 VAL 6 -6.539 1.183 1.029
65 3HG2 VAL 6 3HG2 VAL 6 -5.474 0.495 2.256
66 H TYR 7 H TYR 7 -2.517 3.110 -0.667
67 HA TYR 7 HA TYR 7 -0.990 4.798 0.118
68 1HB TYR 7 2HB TYR 7 -0.331 5.002 -1.972
69 2HB TYR 7 1HB TYR 7 -1.900 4.440 -2.495
70 HD1 TYR 7 1HD TYR 7 0.434 7.088 -2.561
71 HD2 TYR 7 2HD TYR 7 -3.741 6.258 -2.772
72 HE1 TYR 7 1HE TYR 7 0.081 9.226 -3.689
73 HE2 TYR 7 2HE TYR 7 -4.104 8.416 -3.914
74 HH TYR 7 HH TYR 7 -1.800 10.152 -5.361
75 H TYR 8 H TYR 8 -3.886 6.304 -1.143
76 HA TYR 8 HA TYR 8 -4.819 8.367 -0.873
77 1HB TYR 8 2HB TYR 8 -5.590 8.715 1.382
78 2HB TYR 8 1HB TYR 8 -5.620 6.995 1.011
79 HD1 TYR 8 1HD TYR 8 -3.928 9.620 2.951
80 HD2 TYR 8 2HD TYR 8 -4.193 5.445 2.203
81 HE1 TYR 8 1HE TYR 8 -2.599 9.187 4.959
82 HE2 TYR 8 2HE TYR 8 -2.861 4.991 4.213
83 HH TYR 8 HH TYR 8 -1.083 7.314 5.801
84 H ARG 9 H ARG 9 -3.338 9.800 -1.758
85 HA ARG 9 HA ARG 9 -1.592 11.302 -1.845
86 1HB ARG 9 2HB ARG 9 -2.053 13.256 -0.537
87 2HB ARG 9 1HB ARG 9 -3.599 12.540 -0.965
88 1HG ARG 9 2HG ARG 9 -4.117 12.736 1.191
89 2HG ARG 9 1HG ARG 9 -3.034 11.374 1.468
90 1HD ARG 9 2HD ARG 9 -1.470 13.748 1.296
91 2HD ARG 9 1HD ARG 9 -2.801 14.033 2.417
92 HE ARG 9 HE ARG 9 -1.611 11.539 2.967
93 1HH1 ARG 9 1HH1 ARG 9 -0.978 14.961 3.261
94 2HH1 ARG 9 2HH1 ARG 9 0.059 14.775 4.636
95 1HH2 ARG 9 1HH2 ARG 9 -0.252 11.295 4.771
96 2HH2 ARG 9 2HH2 ARG 9 0.472 12.693 5.494
97 H GLY 10 H GLY 10 -0.930 8.910 -0.518
98 1HA GLY 10 2HA GLY 10 0.889 9.884 1.562
99 2HA GLY 10 1HA GLY 10 0.172 8.286 1.530
100 H ILE 11 H ILE 11 1.044 6.688 0.235
101 HA ILE 11 HA ILE 11 2.742 6.918 -1.866
102 HB ILE 11 HB ILE 11 4.175 8.181 -0.182
103 1HG1 ILE 11 2HG1 ILE 11 5.201 7.775 -2.206
104 2HG1 ILE 11 1HG1 ILE 11 6.278 6.919 -1.103
105 1HG2 ILE 11 1HG2 ILE 11 5.787 6.801 1.088
106 2HG2 ILE 11 2HG2 ILE 11 4.755 5.410 0.794
107 3HG2 ILE 11 3HG2 ILE 11 4.148 6.775 1.725
108 1HD1 ILE 11 1HD1 ILE 11 5.802 5.582 -3.069
109 2HD1 ILE 11 2HD1 ILE 11 4.067 5.685 -2.732
110 3HD1 ILE 11 3HD1 ILE 11 5.135 4.834 -1.616
111 H TYR 12 H TYR 12 1.062 5.153 -1.710
112 HA TYR 12 HA TYR 12 0.453 2.957 -1.476
113 1HB TYR 12 2HB TYR 12 2.914 3.190 -3.031
114 2HB TYR 12 1HB TYR 12 2.552 1.550 -2.482
115 HD1 TYR 12 1HD TYR 12 0.277 4.291 -3.412
116 HD2 TYR 12 2HD TYR 12 1.744 0.435 -4.399
117 HE1 TYR 12 1HE TYR 12 -1.481 4.079 -5.109
118 HE2 TYR 12 2HE TYR 12 0.017 0.215 -6.142
119 HH TYR 12 HH TYR 12 -2.609 2.457 -6.417
120 H TYR 13 H TYR 13 3.855 2.789 -0.541
121 HA TYR 13 HA TYR 13 4.722 2.109 1.440
122 1HB TYR 13 2HB TYR 13 2.163 0.838 2.351
123 2HB TYR 13 1HB TYR 13 3.464 1.529 3.323
124 HD1 TYR 13 1HD TYR 13 0.352 2.134 3.361
125 HD2 TYR 13 2HD TYR 13 3.730 4.056 1.645
126 HE1 TYR 13 1HE TYR 13 -0.848 4.276 3.387
127 HE2 TYR 13 2HE TYR 13 2.554 6.169 1.627
128 HH TYR 13 HH TYR 13 -0.420 6.626 3.337
129 H ARG 14 H ARG 14 4.658 0.747 -1.015
130 HA ARG 14 HA ARG 14 5.873 -1.657 -0.405
131 1HB ARG 14 2HB ARG 14 3.181 -1.975 0.021
132 2HB ARG 14 1HB ARG 14 3.348 -2.518 -1.643
133 1HG ARG 14 2HG ARG 14 3.617 -4.458 -0.400
134 2HG ARG 14 1HG ARG 14 5.273 -3.970 -0.769
135 1HD ARG 14 2HD ARG 14 5.501 -2.979 1.430
136 2HD ARG 14 1HD ARG 14 3.820 -3.355 1.800
137 HE ARG 14 HE ARG 14 4.464 -5.476 2.330
138 1HH1 ARG 14 1HH1 ARG 14 6.950 -4.034 0.349
139 2HH1 ARG 14 2HH1 ARG 14 8.043 -5.366 0.533
140 1HH2 ARG 14 1HH2 ARG 14 5.899 -7.231 2.568
141 2HH2 ARG 14 2HH2 ARG 14 7.446 -7.180 1.790
142 H ARG 15 H ARG 15 5.786 -3.182 -2.499
143 HA ARG 15 HA ARG 15 5.181 -2.034 -4.986
144 1HB ARG 15 2HB ARG 15 7.363 -1.373 -5.794
145 2HB ARG 15 1HB ARG 15 6.970 -0.449 -4.350
146 1HG ARG 15 2HG ARG 15 8.332 -2.708 -3.434
147 2HG ARG 15 1HG ARG 15 9.210 -2.175 -4.868
148 1HD ARG 15 2HD ARG 15 10.199 -0.660 -3.572
149 2HD ARG 15 1HD ARG 15 8.647 0.172 -3.496
150 HE ARG 15 HE ARG 15 8.555 -0.401 -1.300
151 1HH1 ARG 15 1HH1 ARG 15 10.577 -2.730 -2.935
152 2HH1 ARG 15 2HH1 ARG 15 10.946 -3.611 -1.490
153 1HH2 ARG 15 1HH2 ARG 15 9.035 -1.564 0.601
154 2HH2 ARG 15 2HH2 ARG 15 10.068 -2.951 0.516
155 H TYR 16 H TYR 16 4.612 -4.472 -4.289
156 HA TYR 16 HA TYR 16 6.680 -6.169 -5.528
157 1HB TYR 16 2HB TYR 16 6.308 -7.813 -4.003
158 2HB TYR 16 1HB TYR 16 5.731 -6.477 -3.017
159 HD1 TYR 16 1HD TYR 16 5.033 -9.645 -3.350
160 HD2 TYR 16 2HD TYR 16 3.077 -5.964 -4.201
161 HE1 TYR 16 1HE TYR 16 2.851 -10.762 -3.145
162 HE2 TYR 16 2HE TYR 16 0.899 -7.072 -4.006
163 HH TYR 16 HH TYR 16 -0.064 -9.295 -4.145
164 H ARG 17 H ARG 17 5.457 -8.334 -6.318
165 HA ARG 17 HA ARG 17 4.153 -9.249 -7.937
166 1HB ARG 17 2HB ARG 17 2.165 -9.157 -6.863
167 2HB ARG 17 1HB ARG 17 2.371 -7.474 -6.411
168 1HG ARG 17 2HG ARG 17 1.713 -8.147 -9.242
169 2HG ARG 17 1HG ARG 17 0.447 -8.212 -8.015
170 1HD ARG 17 2HD ARG 17 0.206 -6.015 -8.222
171 2HD ARG 17 1HD ARG 17 1.829 -5.814 -7.566
172 HE ARG 17 HE ARG 17 2.609 -5.374 -9.684
173 1HH1 ARG 17 1HH1 ARG 17 -0.661 -6.582 -9.880
174 2HH1 ARG 17 2HH1 ARG 17 -0.840 -6.180 -11.555
175 1HH2 ARG 17 1HH2 ARG 17 2.375 -4.850 -11.885
176 2HH2 ARG 17 2HH2 ARG 17 0.883 -5.196 -12.694
Start of MODEL 9
1 1H LYS 1 1HT LYS 1 1.552 -4.245 8.219
2 2H LYS 1 2HT LYS 1 -0.010 -4.614 7.608
3 3H LYS 1 3HT LYS 1 0.377 -4.958 9.244
4 HA LYS 1 HA LYS 1 -0.839 -3.078 9.416
5 1HB LYS 1 2HB LYS 1 0.741 -1.377 10.098
6 2HB LYS 1 1HB LYS 1 1.381 -2.958 10.522
7 1HG LYS 1 2HG LYS 1 3.259 -2.370 9.505
8 2HG LYS 1 1HG LYS 1 2.381 -2.461 7.977
9 1HD LYS 1 2HD LYS 1 1.850 -0.127 8.066
10 2HD LYS 1 1HD LYS 1 2.487 0.006 9.707
11 1HE LYS 1 2HE LYS 1 4.406 0.646 8.771
12 2HE LYS 1 1HE LYS 1 4.605 -1.034 8.272
13 1HZ LYS 1 1HZ LYS 1 4.735 0.848 6.523
14 2HZ LYS 1 2HZ LYS 1 3.046 0.809 6.590
15 3HZ LYS 1 3HZ LYS 1 3.906 -0.577 6.145
16 H TRP 2 H TRP 2 0.935 -3.238 6.464
17 HA TRP 2 HA TRP 2 0.045 -0.690 5.510
18 1HB TRP 2 2HB TRP 2 1.518 -1.064 3.758
19 2HB TRP 2 1HB TRP 2 2.273 -1.961 5.067
20 HD1 TRP 2 HD TRP 2 1.684 -4.763 4.987
21 HE1 TRP 2 1HE TRP 2 1.582 -6.235 2.870
22 HE3 TRP 2 3HE TRP 2 1.035 -1.113 1.602
23 HZ2 TRP 2 2HZ TRP 2 1.257 -5.844 0.056
24 HZ3 TRP 2 3HZ TRP 2 0.846 -1.680 -0.807
25 HH2 TRP 2 HH TRP 2 0.957 -4.008 -1.549
26 H TYR 3 H TYR 3 -0.469 -1.501 2.787
27 HA TYR 3 HA TYR 3 -2.744 -3.286 2.928
28 1HB TYR 3 2HB TYR 3 -3.607 -0.832 1.638
29 2HB TYR 3 1HB TYR 3 -4.404 -1.799 2.868
30 HD1 TYR 3 1HD TYR 3 -1.300 0.266 2.786
31 HD2 TYR 3 2HD TYR 3 -5.024 -0.519 4.670
32 HE1 TYR 3 1HE TYR 3 -0.791 1.971 4.463
33 HE2 TYR 3 2HE TYR 3 -4.540 1.208 6.359
34 HH TYR 3 HH TYR 3 -2.366 2.266 7.335
35 H PHE 4 H PHE 4 -2.473 -0.818 0.465
36 HA PHE 4 HA PHE 4 -0.960 -2.269 -1.413
37 1HB PHE 4 2HB PHE 4 -2.816 -3.027 -2.892
38 2HB PHE 4 1HB PHE 4 -2.756 -3.882 -1.354
39 HD1 PHE 4 1HD PHE 4 -4.974 -2.759 -3.624
40 HD2 PHE 4 2HD PHE 4 -4.160 -2.304 0.528
41 HE1 PHE 4 1HE PHE 4 -7.322 -2.142 -3.222
42 HE2 PHE 4 2HE PHE 4 -6.478 -1.680 0.939
43 HZ PHE 4 HZ PHE 4 -8.083 -1.605 -0.939
44 H ARG 5 H ARG 5 -4.026 -0.411 -1.592
45 HA ARG 5 HA ARG 5 -2.572 1.730 -2.949
46 1HB ARG 5 2HB ARG 5 -5.224 0.610 -3.880
47 2HB ARG 5 1HB ARG 5 -4.403 2.002 -4.568
48 1HG ARG 5 2HG ARG 5 -3.018 -0.641 -4.476
49 2HG ARG 5 1HG ARG 5 -4.223 -0.313 -5.723
50 1HD ARG 5 2HD ARG 5 -2.554 1.950 -5.616
51 2HD ARG 5 1HD ARG 5 -1.489 0.546 -5.564
52 HE ARG 5 HE ARG 5 -2.069 0.055 -7.730
53 1HH1 ARG 5 1HH1 ARG 5 -4.267 2.463 -6.476
54 2HH1 ARG 5 2HH1 ARG 5 -4.980 2.793 -8.019
55 1HH2 ARG 5 1HH2 ARG 5 -3.005 0.497 -9.758
56 2HH2 ARG 5 2HH2 ARG 5 -4.267 1.678 -9.879
57 H VAL 6 H VAL 6 -3.502 1.366 -0.288
58 HA VAL 6 HA VAL 6 -5.791 3.108 0.112
59 HB VAL 6 HB VAL 6 -3.829 1.883 2.003
60 1HG1 VAL 6 1HG1 VAL 6 -6.381 3.387 2.403
61 2HG1 VAL 6 2HG1 VAL 6 -4.862 3.501 3.292
62 3HG1 VAL 6 3HG1 VAL 6 -5.940 2.132 3.561
63 1HG2 VAL 6 1HG2 VAL 6 -5.490 0.125 2.390
64 2HG2 VAL 6 2HG2 VAL 6 -4.996 0.178 0.698
65 3HG2 VAL 6 3HG2 VAL 6 -6.549 0.859 1.186
66 H TYR 7 H TYR 7 -2.696 3.616 -0.695
67 HA TYR 7 HA TYR 7 -1.639 5.345 1.188
68 1HB TYR 7 2HB TYR 7 0.027 5.518 -0.302
69 2HB TYR 7 1HB TYR 7 -0.832 4.170 -1.029
70 HD1 TYR 7 1HD TYR 7 0.937 6.900 -1.951
71 HD2 TYR 7 2HD TYR 7 -2.982 5.310 -2.550
72 HE1 TYR 7 1HE TYR 7 0.752 8.147 -4.056
73 HE2 TYR 7 2HE TYR 7 -3.156 6.555 -4.660
74 HH TYR 7 HH TYR 7 -0.513 7.998 -6.181
75 H TYR 8 H TYR 8 -3.910 5.888 -1.327
76 HA TYR 8 HA TYR 8 -4.771 7.878 -2.231
77 1HB TYR 8 2HB TYR 8 -6.403 8.690 -0.424
78 2HB TYR 8 1HB TYR 8 -6.482 7.000 -0.924
79 HD1 TYR 8 1HD TYR 8 -4.147 8.689 1.445
80 HD2 TYR 8 2HD TYR 8 -7.234 5.810 0.940
81 HE1 TYR 8 1HE TYR 8 -3.802 7.957 3.744
82 HE2 TYR 8 2HE TYR 8 -6.907 5.059 3.263
83 HH TYR 8 HH TYR 8 -5.239 5.094 4.993
84 H ARG 9 H ARG 9 -2.311 8.736 -1.938
85 HA ARG 9 HA ARG 9 -1.373 10.871 -2.029
86 1HB ARG 9 2HB ARG 9 -2.342 12.742 -1.165
87 2HB ARG 9 1HB ARG 9 -3.761 11.712 -1.186
88 1HG ARG 9 2HG ARG 9 -3.114 11.122 1.238
89 2HG ARG 9 1HG ARG 9 -2.075 12.547 1.145
90 1HD ARG 9 2HD ARG 9 -4.114 13.294 2.070
91 2HD ARG 9 1HD ARG 9 -4.115 13.832 0.391
92 HE ARG 9 HE ARG 9 -5.873 12.410 -0.045
93 1HH1 ARG 9 1HH1 ARG 9 -4.578 11.727 3.125
94 2HH1 ARG 9 2HH1 ARG 9 -5.882 10.678 3.567
95 1HH2 ARG 9 1HH2 ARG 9 -7.586 11.029 0.537
96 2HH2 ARG 9 2HH2 ARG 9 -7.587 10.280 2.098
97 H GLY 10 H GLY 10 -1.050 8.421 -0.271
98 1HA GLY 10 2HA GLY 10 0.539 9.587 1.905
99 2HA GLY 10 1HA GLY 10 -0.011 7.917 1.818
100 H ILE 11 H ILE 11 0.999 6.505 0.255
101 HA ILE 11 HA ILE 11 2.987 6.991 -1.495
102 HB ILE 11 HB ILE 11 4.097 8.086 0.543
103 1HG1 ILE 11 2HG1 ILE 11 5.294 7.950 -1.473
104 2HG1 ILE 11 1HG1 ILE 11 6.371 7.284 -0.249
105 1HG2 ILE 11 1HG2 ILE 11 5.724 6.406 1.639
106 2HG2 ILE 11 2HG2 ILE 11 4.459 5.245 1.280
107 3HG2 ILE 11 3HG2 ILE 11 4.105 6.639 2.292
108 1HD1 ILE 11 1HD1 ILE 11 4.673 5.715 -2.163
109 2HD1 ILE 11 2HD1 ILE 11 5.722 5.034 -0.920
110 3HD1 ILE 11 3HD1 ILE 11 6.423 5.947 -2.261
111 H TYR 12 H TYR 12 1.230 5.176 -1.555
112 HA TYR 12 HA TYR 12 0.628 3.000 -1.624
113 1HB TYR 12 2HB TYR 12 3.323 3.171 -2.894
114 2HB TYR 12 1HB TYR 12 2.351 1.700 -2.973
115 HD1 TYR 12 1HD TYR 12 -0.357 2.865 -3.218
116 HD2 TYR 12 2HD TYR 12 3.289 3.957 -5.112
117 HE1 TYR 12 1HE TYR 12 -1.629 3.803 -5.086
118 HE2 TYR 12 2HE TYR 12 2.026 4.893 -7.005
119 HH TYR 12 HH TYR 12 -0.674 5.879 -7.105
120 H TYR 13 H TYR 13 4.012 2.745 -0.653
121 HA TYR 13 HA TYR 13 4.867 1.754 1.187
122 1HB TYR 13 2HB TYR 13 2.311 0.392 1.944
123 2HB TYR 13 1HB TYR 13 3.609 0.979 2.983
124 HD1 TYR 13 1HD TYR 13 3.816 3.698 1.637
125 HD2 TYR 13 2HD TYR 13 0.502 1.504 3.109
126 HE1 TYR 13 1HE TYR 13 2.593 5.772 1.894
127 HE2 TYR 13 2HE TYR 13 -0.749 3.604 3.417
128 HH TYR 13 HH TYR 13 0.136 6.239 3.781
129 H ARG 14 H ARG 14 5.584 0.691 -0.951
130 HA ARG 14 HA ARG 14 6.532 -1.233 -1.751
131 1HB ARG 14 2HB ARG 14 4.708 -2.829 0.046
132 2HB ARG 14 1HB ARG 14 6.181 -3.371 -0.745
133 1HG ARG 14 2HG ARG 14 7.542 -2.368 0.776
134 2HG ARG 14 1HG ARG 14 6.388 -1.081 1.128
135 1HD ARG 14 2HD ARG 14 5.408 -2.248 2.778
136 2HD ARG 14 1HD ARG 14 5.475 -3.763 1.879
137 HE ARG 14 HE ARG 14 7.335 -4.295 3.074
138 1HH1 ARG 14 1HH1 ARG 14 7.002 -0.822 3.084
139 2HH1 ARG 14 2HH1 ARG 14 8.369 -0.568 4.115
140 1HH2 ARG 14 1HH2 ARG 14 9.138 -3.964 4.426
141 2HH2 ARG 14 2HH2 ARG 14 9.584 -2.352 4.875
142 H ARG 15 H ARG 15 3.454 -0.192 -2.039
143 HA ARG 15 HA ARG 15 1.568 -0.890 -3.225
144 1HB ARG 15 2HB ARG 15 2.098 -0.625 -5.644
145 2HB ARG 15 1HB ARG 15 2.715 0.665 -4.624
146 1HG ARG 15 2HG ARG 15 4.737 0.344 -5.451
147 2HG ARG 15 1HG ARG 15 4.739 -1.299 -4.808
148 1HD ARG 15 2HD ARG 15 4.307 -2.223 -6.816
149 2HD ARG 15 1HD ARG 15 3.191 -0.937 -7.280
150 HE ARG 15 HE ARG 15 5.733 0.157 -7.339
151 1HH1 ARG 15 1HH1 ARG 15 3.998 -2.394 -8.964
152 2HH1 ARG 15 2HH1 ARG 15 4.906 -2.250 -10.431
153 1HH2 ARG 15 1HH2 ARG 15 6.932 0.350 -9.271
154 2HH2 ARG 15 2HH2 ARG 15 6.571 -0.693 -10.606
155 H TYR 16 H TYR 16 0.578 -2.789 -3.146
156 HA TYR 16 HA TYR 16 1.769 -5.295 -3.526
157 1HB TYR 16 2HB TYR 16 -0.378 -6.204 -3.276
158 2HB TYR 16 1HB TYR 16 -0.496 -4.674 -2.419
159 HD1 TYR 16 1HD TYR 16 -0.624 -3.017 -5.070
160 HD2 TYR 16 2HD TYR 16 -2.767 -6.389 -3.612
161 HE1 TYR 16 1HE TYR 16 -2.535 -2.397 -6.470
162 HE2 TYR 16 2HE TYR 16 -4.695 -5.771 -5.009
163 HH TYR 16 HH TYR 16 -5.203 -4.486 -6.982
164 H ARG 17 H ARG 17 -0.139 -6.553 -5.311
165 HA ARG 17 HA ARG 17 -0.210 -7.251 -7.475
166 1HB ARG 17 2HB ARG 17 -1.218 -4.728 -7.372
167 2HB ARG 17 1HB ARG 17 0.058 -4.517 -8.565
168 1HG ARG 17 2HG ARG 17 -1.125 -5.534 -10.138
169 2HG ARG 17 1HG ARG 17 -1.475 -6.908 -9.088
170 1HD ARG 17 2HD ARG 17 -3.521 -5.782 -9.824
171 2HD ARG 17 1HD ARG 17 -3.319 -5.686 -8.076
172 HE ARG 17 HE ARG 17 -3.235 -3.416 -8.267
173 1HH1 ARG 17 1HH1 ARG 17 -2.520 -4.807 -11.387
174 2HH1 ARG 17 2HH1 ARG 17 -2.487 -3.278 -12.199
175 1HH2 ARG 17 1HH2 ARG 17 -3.192 -1.406 -9.334
176 2HH2 ARG 17 2HH2 ARG 17 -2.866 -1.348 -11.034
Start of MODEL 10
1 1H LYS 1 1HT LYS 1 -6.376 -9.966 5.374
2 2H LYS 1 2HT LYS 1 -4.801 -10.560 5.710
3 3H LYS 1 3HT LYS 1 -5.959 -11.573 4.951
4 HA LYS 1 HA LYS 1 -4.336 -10.758 3.406
5 1HB LYS 1 2HB LYS 1 -6.921 -11.097 3.022
6 2HB LYS 1 1HB LYS 1 -6.907 -9.356 2.783
7 1HG LYS 1 2HG LYS 1 -6.598 -10.027 0.639
8 2HG LYS 1 1HG LYS 1 -4.912 -9.957 1.156
9 1HD LYS 1 2HD LYS 1 -6.511 -12.482 1.417
10 2HD LYS 1 1HD LYS 1 -5.730 -12.052 -0.107
11 1HE LYS 1 2HE LYS 1 -4.442 -12.564 2.564
12 2HE LYS 1 1HE LYS 1 -4.219 -13.457 1.060
13 1HZ LYS 1 1HZ LYS 1 -2.391 -12.173 0.937
14 2HZ LYS 1 2HZ LYS 1 -3.021 -10.954 1.925
15 3HZ LYS 1 3HZ LYS 1 -3.462 -11.034 0.293
16 H TRP 2 H TRP 2 -3.524 -8.952 2.165
17 HA TRP 2 HA TRP 2 -2.795 -6.748 3.728
18 1HB TRP 2 2HB TRP 2 -1.614 -6.069 1.780
19 2HB TRP 2 1HB TRP 2 -1.616 -7.829 1.744
20 HD1 TRP 2 HD TRP 2 -4.668 -8.041 0.590
21 HE1 TRP 2 1HE TRP 2 -5.005 -7.512 -1.894
22 HE3 TRP 2 3HE TRP 2 -0.450 -5.418 -0.202
23 HZ2 TRP 2 2HZ TRP 2 -3.627 -6.126 -3.967
24 HZ3 TRP 2 3HZ TRP 2 0.014 -4.485 -2.449
25 HH2 TRP 2 HH TRP 2 -1.551 -4.846 -4.297
26 H TYR 3 H TYR 3 -3.089 -4.775 1.511
27 HA TYR 3 HA TYR 3 -5.948 -4.159 1.745
28 1HB TYR 3 2HB TYR 3 -4.603 -1.709 1.570
29 2HB TYR 3 1HB TYR 3 -5.479 -2.349 2.949
30 HD1 TYR 3 1HD TYR 3 -4.351 -2.500 4.949
31 HD2 TYR 3 2HD TYR 3 -2.122 -2.655 1.333
32 HE1 TYR 3 1HE TYR 3 -2.265 -2.568 6.249
33 HE2 TYR 3 2HE TYR 3 -0.026 -2.724 2.620
34 HH TYR 3 HH TYR 3 0.034 -3.246 6.008
35 H PHE 4 H PHE 4 -3.587 -2.126 0.171
36 HA PHE 4 HA PHE 4 -3.337 -2.835 -2.371
37 1HB PHE 4 2HB PHE 4 -5.301 -2.200 -3.644
38 2HB PHE 4 1HB PHE 4 -5.786 -3.369 -2.427
39 HD1 PHE 4 1HD PHE 4 -5.881 -1.534 -0.031
40 HD2 PHE 4 2HD PHE 4 -7.289 -1.046 -4.019
41 HE1 PHE 4 1HE PHE 4 -7.566 0.022 0.772
42 HE2 PHE 4 2HE PHE 4 -8.980 0.546 -3.222
43 HZ PHE 4 HZ PHE 4 -9.134 1.082 -0.819
44 H ARG 5 H ARG 5 -4.955 -0.351 -3.433
45 HA ARG 5 HA ARG 5 -2.833 1.546 -3.059
46 1HB ARG 5 2HB ARG 5 -5.395 2.348 -4.339
47 2HB ARG 5 1HB ARG 5 -3.741 2.675 -4.842
48 1HG ARG 5 2HG ARG 5 -3.903 -0.024 -5.190
49 2HG ARG 5 1HG ARG 5 -5.546 0.492 -5.576
50 1HD ARG 5 2HD ARG 5 -4.910 1.499 -7.479
51 2HD ARG 5 1HD ARG 5 -3.448 2.167 -6.752
52 HE ARG 5 HE ARG 5 -2.845 -0.447 -6.995
53 1HH1 ARG 5 1HH1 ARG 5 -4.108 1.897 -9.251
54 2HH1 ARG 5 2HH1 ARG 5 -3.388 1.141 -10.632
55 1HH2 ARG 5 1HH2 ARG 5 -1.895 -1.441 -8.812
56 2HH2 ARG 5 2HH2 ARG 5 -2.132 -0.753 -10.383
57 H VAL 6 H VAL 6 -3.581 1.268 -0.586
58 HA VAL 6 HA VAL 6 -5.750 2.998 0.210
59 HB VAL 6 HB VAL 6 -3.540 1.849 1.888
60 1HG1 VAL 6 1HG1 VAL 6 -4.479 3.338 3.326
61 2HG1 VAL 6 2HG1 VAL 6 -5.614 2.010 3.569
62 3HG1 VAL 6 3HG1 VAL 6 -6.030 3.340 2.487
63 1HG2 VAL 6 1HG2 VAL 6 -4.796 -0.061 2.296
64 2HG2 VAL 6 2HG2 VAL 6 -4.995 0.201 0.563
65 3HG2 VAL 6 3HG2 VAL 6 -6.278 0.664 1.682
66 H TYR 7 H TYR 7 -2.508 3.439 -0.610
67 HA TYR 7 HA TYR 7 -1.501 5.267 1.118
68 1HB TYR 7 2HB TYR 7 0.070 5.534 -0.456
69 2HB TYR 7 1HB TYR 7 -0.806 4.232 -1.250
70 HD1 TYR 7 1HD TYR 7 0.981 6.644 -2.324
71 HD2 TYR 7 2HD TYR 7 -3.220 5.887 -2.221
72 HE1 TYR 7 1HE TYR 7 0.679 8.067 -4.302
73 HE2 TYR 7 2HE TYR 7 -3.514 7.301 -4.207
74 HH TYR 7 HH TYR 7 -2.118 8.094 -6.143
75 H TYR 8 H TYR 8 -4.218 5.761 -0.944
76 HA TYR 8 HA TYR 8 -5.392 7.575 -1.599
77 1HB TYR 8 2HB TYR 8 -5.395 9.309 0.518
78 2HB TYR 8 1HB TYR 8 -6.498 7.973 0.262
79 HD1 TYR 8 1HD TYR 8 -6.591 6.172 1.781
80 HD2 TYR 8 2HD TYR 8 -3.375 8.945 2.022
81 HE1 TYR 8 1HE TYR 8 -5.896 5.180 3.924
82 HE2 TYR 8 2HE TYR 8 -2.671 7.967 4.148
83 HH TYR 8 HH TYR 8 -2.894 5.916 5.405
84 H ARG 9 H ARG 9 -3.191 9.346 0.529
85 HA ARG 9 HA ARG 9 -2.048 10.706 -1.795
86 1HB ARG 9 2HB ARG 9 -2.176 12.843 -0.529
87 2HB ARG 9 1HB ARG 9 -3.757 12.182 -0.928
88 1HG ARG 9 2HG ARG 9 -4.269 12.489 1.212
89 2HG ARG 9 1HG ARG 9 -3.240 11.092 1.543
90 1HD ARG 9 2HD ARG 9 -1.459 13.203 1.341
91 2HD ARG 9 1HD ARG 9 -2.842 13.897 2.187
92 HE ARG 9 HE ARG 9 -1.961 11.356 3.225
93 1HH1 ARG 9 1HH1 ARG 9 -1.585 14.820 3.391
94 2HH1 ARG 9 2HH1 ARG 9 -0.953 14.801 5.002
95 1HH2 ARG 9 1HH2 ARG 9 -1.131 11.325 5.343
96 2HH2 ARG 9 2HH2 ARG 9 -0.693 12.814 6.111
97 H GLY 10 H GLY 10 -0.974 8.570 -0.202
98 1HA GLY 10 2HA GLY 10 1.192 9.969 1.240
99 2HA GLY 10 1HA GLY 10 0.613 8.362 1.653
100 H ILE 11 H ILE 11 1.466 6.598 0.627
101 HA ILE 11 HA ILE 11 2.769 6.655 -1.847
102 HB ILE 11 HB ILE 11 4.393 7.999 -0.482
103 1HG1 ILE 11 2HG1 ILE 11 5.050 7.064 -2.590
104 2HG1 ILE 11 1HG1 ILE 11 6.375 6.826 -1.452
105 1HG2 ILE 11 1HG2 ILE 11 5.143 5.365 0.744
106 2HG2 ILE 11 2HG2 ILE 11 4.324 6.681 1.582
107 3HG2 ILE 11 3HG2 ILE 11 5.955 6.910 0.967
108 1HD1 ILE 11 1HD1 ILE 11 6.206 4.796 -2.574
109 2HD1 ILE 11 2HD1 ILE 11 4.436 4.814 -2.526
110 3HD1 ILE 11 3HD1 ILE 11 5.360 4.527 -1.047
111 H TYR 12 H TYR 12 1.316 4.841 -1.812
112 HA TYR 12 HA TYR 12 0.657 2.663 -1.300
113 1HB TYR 12 2HB TYR 12 3.220 2.731 -2.829
114 2HB TYR 12 1HB TYR 12 2.511 1.172 -2.412
115 HD1 TYR 12 1HD TYR 12 0.366 4.047 -3.002
116 HD2 TYR 12 2HD TYR 12 2.165 0.638 -4.779
117 HE1 TYR 12 1HE TYR 12 -1.197 4.227 -4.885
118 HE2 TYR 12 2HE TYR 12 0.620 0.809 -6.687
119 HH TYR 12 HH TYR 12 -1.054 3.423 -7.470
120 H TYR 13 H TYR 13 4.150 2.726 -0.496
121 HA TYR 13 HA TYR 13 5.175 2.145 1.480
122 1HB TYR 13 2HB TYR 13 2.714 0.753 2.507
123 2HB TYR 13 1HB TYR 13 4.007 1.539 3.414
124 HD1 TYR 13 1HD TYR 13 0.771 1.917 3.280
125 HD2 TYR 13 2HD TYR 13 4.175 4.095 1.930
126 HE1 TYR 13 1HE TYR 13 -0.542 3.994 3.296
127 HE2 TYR 13 2HE TYR 13 2.885 6.134 1.923
128 HH TYR 13 HH TYR 13 -0.237 6.368 3.384
129 H ARG 14 H ARG 14 4.534 -0.460 2.831
130 HA ARG 14 HA ARG 14 6.261 -2.146 1.645
131 1HB ARG 14 2HB ARG 14 3.848 -2.601 3.313
132 2HB ARG 14 1HB ARG 14 4.549 -4.008 2.525
133 1HG ARG 14 2HG ARG 14 5.501 -3.873 4.685
134 2HG ARG 14 1HG ARG 14 6.747 -3.368 3.543
135 1HD ARG 14 2HD ARG 14 4.963 -1.366 4.886
136 2HD ARG 14 1HD ARG 14 6.409 -1.982 5.687
137 HE ARG 14 HE ARG 14 7.083 -1.097 3.105
138 1HH1 ARG 14 1HH1 ARG 14 6.115 0.162 6.213
139 2HH1 ARG 14 2HH1 ARG 14 6.926 1.675 5.991
140 1HH2 ARG 14 1HH2 ARG 14 8.149 0.893 2.812
141 2HH2 ARG 14 2HH2 ARG 14 8.080 2.092 4.061
142 H ARG 15 H ARG 15 2.914 -3.232 1.300
143 HA ARG 15 HA ARG 15 1.898 -4.352 -0.414
144 1HB ARG 15 2HB ARG 15 3.142 -2.183 -2.106
145 2HB ARG 15 1HB ARG 15 1.671 -3.082 -2.445
146 1HG ARG 15 2HG ARG 15 2.074 -1.136 -0.183
147 2HG ARG 15 1HG ARG 15 1.167 -0.842 -1.668
148 1HD ARG 15 2HD ARG 15 -0.309 -2.765 -1.041
149 2HD ARG 15 1HD ARG 15 0.522 -2.818 0.513
150 HE ARG 15 HE ARG 15 -1.508 -0.984 -0.277
151 1HH1 ARG 15 1HH1 ARG 15 1.366 -1.294 1.680
152 2HH1 ARG 15 2HH1 ARG 15 0.904 -0.039 2.779
153 1HH2 ARG 15 1HH2 ARG 15 -2.114 0.670 1.166
154 2HH2 ARG 15 2HH2 ARG 15 -1.072 1.076 2.488
155 H TYR 16 H TYR 16 3.501 -6.123 -0.101
156 HA TYR 16 HA TYR 16 5.538 -6.317 -2.172
157 1HB TYR 16 2HB TYR 16 6.535 -7.966 -0.903
158 2HB TYR 16 1HB TYR 16 5.729 -7.042 0.356
159 HD1 TYR 16 1HD TYR 16 6.653 -10.069 0.162
160 HD2 TYR 16 2HD TYR 16 2.908 -8.076 -0.146
161 HE1 TYR 16 1HE TYR 16 5.511 -12.115 0.908
162 HE2 TYR 16 2HE TYR 16 1.757 -10.116 0.595
163 HH TYR 16 HH TYR 16 3.307 -13.144 0.776
164 H ARG 17 H ARG 17 5.535 -9.118 -2.524
165 HA ARG 17 HA ARG 17 4.691 -10.684 -3.940
166 1HB ARG 17 2HB ARG 17 2.786 -10.227 -1.993
167 2HB ARG 17 1HB ARG 17 1.865 -10.070 -3.484
168 1HG ARG 17 2HG ARG 17 2.126 -12.262 -4.044
169 2HG ARG 17 1HG ARG 17 3.675 -12.406 -3.213
170 1HD ARG 17 2HD ARG 17 2.526 -13.482 -1.625
171 2HD ARG 17 1HD ARG 17 1.955 -11.883 -1.149
172 HE ARG 17 HE ARG 17 -0.122 -12.528 -1.807
173 1HH1 ARG 17 1HH1 ARG 17 2.203 -14.439 -3.573
174 2HH1 ARG 17 2HH1 ARG 17 1.000 -15.390 -4.375
175 1HH2 ARG 17 1HH2 ARG 17 -1.707 -13.779 -2.861
176 2HH2 ARG 17 2HH2 ARG 17 -1.220 -15.016 -3.970
Start of MODEL 11
1 1H LYS 1 1HT LYS 1 -5.281 -11.916 3.565
2 2H LYS 1 2HT LYS 1 -6.118 -13.091 2.636
3 3H LYS 1 3HT LYS 1 -6.798 -11.532 2.864
4 HA LYS 1 HA LYS 1 -4.487 -12.326 1.249
5 1HB LYS 1 2HB LYS 1 -7.136 -10.962 0.800
6 2HB LYS 1 1HB LYS 1 -5.842 -10.882 -0.387
7 1HG LYS 1 2HG LYS 1 -7.208 -13.371 0.614
8 2HG LYS 1 1HG LYS 1 -7.397 -12.627 -0.974
9 1HD LYS 1 2HD LYS 1 -5.806 -14.085 -1.606
10 2HD LYS 1 1HD LYS 1 -4.695 -12.947 -0.842
11 1HE LYS 1 2HE LYS 1 -5.250 -14.309 1.319
12 2HE LYS 1 1HE LYS 1 -5.741 -15.556 0.171
13 1HZ LYS 1 1HZ LYS 1 -3.086 -14.238 0.086
14 2HZ LYS 1 2HZ LYS 1 -3.575 -15.634 -0.734
15 3HZ LYS 1 3HZ LYS 1 -3.378 -15.667 0.945
16 H TRP 2 H TRP 2 -3.998 -10.156 -0.146
17 HA TRP 2 HA TRP 2 -2.583 -8.475 1.643
18 1HB TRP 2 2HB TRP 2 -1.603 -7.576 -0.237
19 2HB TRP 2 1HB TRP 2 -2.194 -9.088 -0.910
20 HD1 TRP 2 HD TRP 2 -5.125 -8.458 -1.569
21 HE1 TRP 2 1HE TRP 2 -5.739 -6.717 -3.341
22 HE3 TRP 2 3HE TRP 2 -0.786 -5.761 -1.605
23 HZ2 TRP 2 2HZ TRP 2 -4.556 -4.484 -4.610
24 HZ3 TRP 2 3HZ TRP 2 -0.606 -3.835 -3.130
25 HH2 TRP 2 HH TRP 2 -2.454 -3.212 -4.601
26 H TYR 3 H TYR 3 -2.974 -5.908 0.454
27 HA TYR 3 HA TYR 3 -5.656 -5.274 1.475
28 1HB TYR 3 2HB TYR 3 -4.591 -2.962 1.953
29 2HB TYR 3 1HB TYR 3 -4.256 -4.297 3.043
30 HD1 TYR 3 1HD TYR 3 -2.649 -4.023 -0.255
31 HD2 TYR 3 2HD TYR 3 -2.244 -3.319 3.916
32 HE1 TYR 3 1HE TYR 3 -0.237 -3.653 -0.561
33 HE2 TYR 3 2HE TYR 3 0.169 -2.948 3.626
34 HH TYR 3 HH TYR 3 1.613 -2.577 0.538
35 H PHE 4 H PHE 4 -3.973 -2.604 0.165
36 HA PHE 4 HA PHE 4 -4.822 -2.898 -2.558
37 1HB PHE 4 2HB PHE 4 -6.516 -1.072 -2.421
38 2HB PHE 4 1HB PHE 4 -6.979 -2.506 -1.506
39 HD1 PHE 4 1HD PHE 4 -6.370 0.998 -1.360
40 HD2 PHE 4 2HD PHE 4 -6.477 -2.539 0.983
41 HE1 PHE 4 1HE PHE 4 -6.632 2.364 0.653
42 HE2 PHE 4 2HE PHE 4 -6.749 -1.187 3.020
43 HZ PHE 4 HZ PHE 4 -6.827 1.274 2.862
44 H ARG 5 H ARG 5 -5.249 0.056 -2.799
45 HA ARG 5 HA ARG 5 -2.602 0.860 -3.243
46 1HB ARG 5 2HB ARG 5 -4.406 3.095 -2.699
47 2HB ARG 5 1HB ARG 5 -3.471 2.740 -4.145
48 1HG ARG 5 2HG ARG 5 -5.255 1.024 -4.704
49 2HG ARG 5 1HG ARG 5 -6.206 1.736 -3.395
50 1HD ARG 5 2HD ARG 5 -5.194 3.817 -5.082
51 2HD ARG 5 1HD ARG 5 -5.998 2.603 -6.074
52 HE ARG 5 HE ARG 5 -7.229 4.423 -4.235
53 1HH1 ARG 5 1HH1 ARG 5 -7.541 1.316 -5.791
54 2HH1 ARG 5 2HH1 ARG 5 -9.266 1.277 -5.644
55 1HH2 ARG 5 1HH2 ARG 5 -9.498 4.372 -4.038
56 2HH2 ARG 5 2HH2 ARG 5 -10.377 3.011 -4.650
57 H VAL 6 H VAL 6 -4.860 2.059 -0.812
58 HA VAL 6 HA VAL 6 -4.536 2.852 1.323
59 HB VAL 6 HB VAL 6 -2.081 1.185 0.982
60 1HG1 VAL 6 1HG1 VAL 6 -2.321 1.249 3.651
61 2HG1 VAL 6 2HG1 VAL 6 -2.932 2.858 3.267
62 3HG1 VAL 6 3HG1 VAL 6 -1.312 2.386 2.756
63 1HG2 VAL 6 1HG2 VAL 6 -4.441 0.178 0.997
64 2HG2 VAL 6 2HG2 VAL 6 -4.392 0.496 2.731
65 3HG2 VAL 6 3HG2 VAL 6 -3.193 -0.566 1.994
66 H TYR 7 H TYR 7 -3.474 4.074 -1.157
67 HA TYR 7 HA TYR 7 -1.150 5.569 -0.283
68 1HB TYR 7 2HB TYR 7 -1.147 4.503 -2.448
69 2HB TYR 7 1HB TYR 7 -2.612 5.348 -2.904
70 HD1 TYR 7 1HD TYR 7 -1.738 8.134 -1.799
71 HD2 TYR 7 2HD TYR 7 0.190 5.222 -4.239
72 HE1 TYR 7 1HE TYR 7 -0.367 9.898 -2.820
73 HE2 TYR 7 2HE TYR 7 1.569 6.983 -5.258
74 HH TYR 7 HH TYR 7 0.880 10.226 -5.017
75 H TYR 8 H TYR 8 -3.872 6.575 -2.231
76 HA TYR 8 HA TYR 8 -5.115 8.478 -2.300
77 1HB TYR 8 2HB TYR 8 -5.299 9.453 0.271
78 2HB TYR 8 1HB TYR 8 -6.418 8.331 -0.482
79 HD1 TYR 8 1HD TYR 8 -4.051 8.845 2.156
80 HD2 TYR 8 2HD TYR 8 -6.020 5.835 -0.118
81 HE1 TYR 8 1HE TYR 8 -3.499 7.191 3.884
82 HE2 TYR 8 2HE TYR 8 -5.480 4.173 1.613
83 HH TYR 8 HH TYR 8 -3.215 4.692 4.019
84 H ARG 9 H ARG 9 -3.380 9.516 0.533
85 HA ARG 9 HA ARG 9 -1.877 11.463 -1.077
86 1HB ARG 9 2HB ARG 9 -2.065 13.018 0.868
87 2HB ARG 9 1HB ARG 9 -3.606 12.678 0.093
88 1HG ARG 9 2HG ARG 9 -3.915 10.894 1.896
89 2HG ARG 9 1HG ARG 9 -2.578 11.690 2.729
90 1HD ARG 9 2HD ARG 9 -3.807 13.534 3.224
91 2HD ARG 9 1HD ARG 9 -4.768 13.422 1.751
92 HE ARG 9 HE ARG 9 -6.318 12.199 2.901
93 1HH1 ARG 9 1HH1 ARG 9 -3.343 12.232 4.724
94 2HH1 ARG 9 2HH1 ARG 9 -4.036 11.460 6.109
95 1HH2 ARG 9 1HH2 ARG 9 -7.234 11.183 4.723
96 2HH2 ARG 9 2HH2 ARG 9 -6.245 10.863 6.110
97 H GLY 10 H GLY 10 -1.332 8.747 0.025
98 1HA GLY 10 2HA GLY 10 0.871 9.369 1.867
99 2HA GLY 10 1HA GLY 10 0.046 7.823 1.766
100 H ILE 11 H ILE 11 0.652 6.328 0.172
101 HA ILE 11 HA ILE 11 1.929 6.477 -2.118
102 HB ILE 11 HB ILE 11 3.576 7.973 -0.921
103 1HG1 ILE 11 2HG1 ILE 11 3.961 7.083 -3.154
104 2HG1 ILE 11 1HG1 ILE 11 5.468 7.170 -2.245
105 1HG2 ILE 11 1HG2 ILE 11 4.533 5.381 0.216
106 2HG2 ILE 11 2HG2 ILE 11 4.056 6.835 1.083
107 3HG2 ILE 11 3HG2 ILE 11 5.525 6.827 0.115
108 1HD1 ILE 11 1HD1 ILE 11 5.485 5.105 -3.361
109 2HD1 ILE 11 2HD1 ILE 11 3.820 4.755 -2.879
110 3HD1 ILE 11 3HD1 ILE 11 5.108 4.754 -1.672
111 H TYR 12 H TYR 12 0.482 4.529 -1.430
112 HA TYR 12 HA TYR 12 0.229 2.301 -0.997
113 1HB TYR 12 2HB TYR 12 2.493 2.626 -2.851
114 2HB TYR 12 1HB TYR 12 2.268 1.015 -2.178
115 HD1 TYR 12 1HD TYR 12 1.095 -0.425 -3.541
116 HD2 TYR 12 2HD TYR 12 0.078 3.696 -3.553
117 HE1 TYR 12 1HE TYR 12 -0.657 -0.869 -5.210
118 HE2 TYR 12 2HE TYR 12 -1.678 3.275 -5.218
119 HH TYR 12 HH TYR 12 -2.685 0.097 -6.055
120 H TYR 13 H TYR 13 3.723 2.422 -0.793
121 HA TYR 13 HA TYR 13 5.074 2.080 0.997
122 1HB TYR 13 2HB TYR 13 2.975 0.756 2.661
123 2HB TYR 13 1HB TYR 13 4.382 1.686 3.174
124 HD1 TYR 13 1HD TYR 13 3.943 4.027 1.316
125 HD2 TYR 13 2HD TYR 13 1.305 1.929 3.898
126 HE1 TYR 13 1HE TYR 13 2.529 5.979 1.418
127 HE2 TYR 13 2HE TYR 13 -0.134 3.916 4.040
128 HH TYR 13 HH TYR 13 0.295 6.520 3.731
129 H ARG 14 H ARG 14 5.354 -0.155 2.583
130 HA ARG 14 HA ARG 14 5.783 -2.197 0.563
131 1HB ARG 14 2HB ARG 14 7.426 -1.440 2.451
132 2HB ARG 14 1HB ARG 14 6.484 -2.530 3.459
133 1HG ARG 14 2HG ARG 14 8.509 -3.577 2.534
134 2HG ARG 14 1HG ARG 14 7.027 -4.394 2.038
135 1HD ARG 14 2HD ARG 14 7.784 -2.300 0.180
136 2HD ARG 14 1HD ARG 14 9.066 -3.492 0.383
137 HE ARG 14 HE ARG 14 6.878 -5.026 0.014
138 1HH1 ARG 14 1HH1 ARG 14 8.201 -2.328 -1.762
139 2HH1 ARG 14 2HH1 ARG 14 7.590 -2.872 -3.288
140 1HH2 ARG 14 1HH2 ARG 14 6.076 -5.743 -1.993
141 2HH2 ARG 14 2HH2 ARG 14 6.384 -4.811 -3.420
142 H ARG 15 H ARG 15 5.285 -4.492 1.098
143 HA ARG 15 HA ARG 15 2.613 -4.989 1.335
144 1HB ARG 15 2HB ARG 15 3.162 -7.309 1.760
145 2HB ARG 15 1HB ARG 15 4.291 -6.640 0.591
146 1HG ARG 15 2HG ARG 15 5.946 -7.395 1.847
147 2HG ARG 15 1HG ARG 15 5.479 -6.226 3.084
148 1HD ARG 15 2HD ARG 15 5.422 -8.206 4.262
149 2HD ARG 15 1HD ARG 15 3.742 -8.040 3.762
150 HE ARG 15 HE ARG 15 5.711 -9.913 2.660
151 1HH1 ARG 15 1HH1 ARG 15 2.410 -8.762 2.801
152 2HH1 ARG 15 2HH1 ARG 15 1.768 -10.147 1.988
153 1HH2 ARG 15 1HH2 ARG 15 4.856 -11.728 1.597
154 2HH2 ARG 15 2HH2 ARG 15 3.152 -11.829 1.308
155 H TYR 16 H TYR 16 1.240 -5.796 2.981
156 HA TYR 16 HA TYR 16 1.518 -4.465 5.468
157 1HB TYR 16 2HB TYR 16 -0.638 -5.200 5.934
158 2HB TYR 16 1HB TYR 16 -0.628 -5.214 4.176
159 HD1 TYR 16 1HD TYR 16 1.051 -7.806 3.948
160 HD2 TYR 16 2HD TYR 16 -2.408 -6.785 6.203
161 HE1 TYR 16 1HE TYR 16 0.384 -10.167 3.980
162 HE2 TYR 16 2HE TYR 16 -3.089 -9.148 6.238
163 HH TYR 16 HH TYR 16 -2.372 -11.297 4.398
164 H ARG 17 H ARG 17 0.508 -6.430 7.270
165 HA ARG 17 HA ARG 17 1.307 -7.842 8.864
166 1HB ARG 17 2HB ARG 17 1.366 -9.158 6.392
167 2HB ARG 17 1HB ARG 17 2.907 -9.545 7.149
168 1HG ARG 17 2HG ARG 17 1.948 -10.753 8.815
169 2HG ARG 17 1HG ARG 17 0.473 -9.786 8.820
170 1HD ARG 17 2HD ARG 17 -0.547 -11.134 7.353
171 2HD ARG 17 1HD ARG 17 0.886 -11.254 6.332
172 HE ARG 17 HE ARG 17 -0.012 -13.178 8.184
173 1HH1 ARG 17 1HH1 ARG 17 2.930 -11.677 7.056
174 2HH1 ARG 17 2HH1 ARG 17 3.920 -13.046 7.431
175 1HH2 ARG 17 1HH2 ARG 17 1.290 -14.980 8.679
176 2HH2 ARG 17 2HH2 ARG 17 2.990 -14.921 8.352
Start of MODEL 12
1 1H LYS 1 1HT LYS 1 -2.302 -10.217 7.449
2 2H LYS 1 2HT LYS 1 -1.088 -10.373 6.244
3 3H LYS 1 3HT LYS 1 -2.425 -11.450 6.265
4 HA LYS 1 HA LYS 1 -2.887 -9.979 4.587
5 1HB LYS 1 2HB LYS 1 -4.241 -9.172 7.164
6 2HB LYS 1 1HB LYS 1 -4.791 -8.644 5.579
7 1HG LYS 1 2HG LYS 1 -6.146 -10.447 5.903
8 2HG LYS 1 1HG LYS 1 -4.792 -11.224 5.078
9 1HD LYS 1 2HD LYS 1 -4.924 -12.653 6.826
10 2HD LYS 1 1HD LYS 1 -3.949 -11.418 7.624
11 1HE LYS 1 2HE LYS 1 -6.960 -11.566 7.727
12 2HE LYS 1 1HE LYS 1 -5.883 -12.186 8.976
13 1HZ LYS 1 1HZ LYS 1 -5.031 -9.949 9.303
14 2HZ LYS 1 2HZ LYS 1 -6.707 -9.985 9.530
15 3HZ LYS 1 3HZ LYS 1 -6.061 -9.353 8.100
16 H TRP 2 H TRP 2 -1.412 -8.609 3.727
17 HA TRP 2 HA TRP 2 -0.117 -6.527 5.077
18 1HB TRP 2 2HB TRP 2 0.650 -5.855 2.887
19 2HB TRP 2 1HB TRP 2 0.633 -7.610 2.966
20 HD1 TRP 2 HD TRP 2 -2.813 -7.090 2.517
21 HE1 TRP 2 1HE TRP 2 -3.494 -7.045 0.047
22 HE3 TRP 2 3HE TRP 2 1.766 -6.360 0.443
23 HZ2 TRP 2 2HZ TRP 2 -2.251 -6.738 -2.481
24 HZ3 TRP 2 3HZ TRP 2 1.955 -6.192 -2.007
25 HH2 TRP 2 HH TRP 2 -0.015 -6.382 -3.441
26 H TYR 3 H TYR 3 -0.599 -4.456 2.972
27 HA TYR 3 HA TYR 3 -3.302 -3.555 3.641
28 1HB TYR 3 2HB TYR 3 -2.257 -1.239 4.059
29 2HB TYR 3 1HB TYR 3 -2.099 -2.448 5.334
30 HD1 TYR 3 1HD TYR 3 -0.137 -2.494 2.225
31 HD2 TYR 3 2HD TYR 3 -0.148 -1.500 6.363
32 HE1 TYR 3 1HE TYR 3 2.315 -2.254 2.171
33 HE2 TYR 3 2HE TYR 3 2.297 -1.248 6.319
34 HH TYR 3 HH TYR 3 4.084 -0.852 4.760
35 H PHE 4 H PHE 4 -1.448 -4.361 1.221
36 HA PHE 4 HA PHE 4 -0.808 -3.418 -0.836
37 1HB PHE 4 2HB PHE 4 -2.586 -3.918 -2.249
38 2HB PHE 4 1HB PHE 4 -2.982 -4.821 -0.794
39 HD1 PHE 4 1HD PHE 4 -4.660 -3.550 -3.211
40 HD2 PHE 4 2HD PHE 4 -4.062 -2.607 0.891
41 HE1 PHE 4 1HE PHE 4 -6.841 -2.424 -3.158
42 HE2 PHE 4 2HE PHE 4 -6.253 -1.493 0.960
43 HZ PHE 4 HZ PHE 4 -7.650 -1.400 -1.068
44 H ARG 5 H ARG 5 -2.898 -1.796 -2.356
45 HA ARG 5 HA ARG 5 -1.709 0.706 -2.180
46 1HB ARG 5 2HB ARG 5 -3.304 1.424 -3.746
47 2HB ARG 5 1HB ARG 5 -3.170 -0.303 -4.045
48 1HG ARG 5 2HG ARG 5 -5.192 -0.270 -2.259
49 2HG ARG 5 1HG ARG 5 -5.443 1.275 -3.071
50 1HD ARG 5 2HD ARG 5 -5.107 -1.352 -4.507
51 2HD ARG 5 1HD ARG 5 -6.666 -0.648 -4.094
52 HE ARG 5 HE ARG 5 -6.285 1.070 -5.660
53 1HH1 ARG 5 1HH1 ARG 5 -3.714 -1.302 -5.638
54 2HH1 ARG 5 2HH1 ARG 5 -3.084 -0.808 -7.173
55 1HH2 ARG 5 1HH2 ARG 5 -5.455 1.708 -7.676
56 2HH2 ARG 5 2HH2 ARG 5 -4.070 0.897 -8.329
57 H VAL 6 H VAL 6 -4.145 2.361 -2.115
58 HA VAL 6 HA VAL 6 -5.817 3.071 -0.568
59 HB VAL 6 HB VAL 6 -3.903 1.914 1.429
60 1HG1 VAL 6 1HG1 VAL 6 -6.152 3.828 1.790
61 2HG1 VAL 6 2HG1 VAL 6 -4.623 3.707 2.660
62 3HG1 VAL 6 3HG1 VAL 6 -5.927 2.573 3.009
63 1HG2 VAL 6 1HG2 VAL 6 -5.395 0.213 1.778
64 2HG2 VAL 6 2HG2 VAL 6 -5.707 0.545 0.074
65 3HG2 VAL 6 3HG2 VAL 6 -6.785 1.192 1.310
66 H TYR 7 H TYR 7 -2.404 3.244 -0.001
67 HA TYR 7 HA TYR 7 -1.345 5.112 1.138
68 1HB TYR 7 2HB TYR 7 0.099 5.542 -0.542
69 2HB TYR 7 1HB TYR 7 -0.790 4.208 -1.258
70 HD1 TYR 7 1HD TYR 7 -3.151 5.295 -2.419
71 HD2 TYR 7 2HD TYR 7 0.701 7.101 -2.116
72 HE1 TYR 7 1HE TYR 7 -3.636 6.664 -4.402
73 HE2 TYR 7 2HE TYR 7 0.209 8.487 -4.086
74 HH TYR 7 HH TYR 7 -1.263 8.430 -6.057
75 H TYR 8 H TYR 8 -3.674 6.234 -1.245
76 HA TYR 8 HA TYR 8 -4.646 8.262 -1.587
77 1HB TYR 8 2HB TYR 8 -5.942 8.949 0.373
78 2HB TYR 8 1HB TYR 8 -5.944 7.198 0.151
79 HD1 TYR 8 1HD TYR 8 -4.448 9.931 2.192
80 HD2 TYR 8 2HD TYR 8 -5.182 5.755 1.861
81 HE1 TYR 8 1HE TYR 8 -3.667 9.621 4.487
82 HE2 TYR 8 2HE TYR 8 -4.404 5.430 4.164
83 HH TYR 8 HH TYR 8 -4.304 7.343 6.360
84 H ARG 9 H ARG 9 -2.762 9.440 -2.252
85 HA ARG 9 HA ARG 9 -1.153 11.059 -2.137
86 1HB ARG 9 2HB ARG 9 -1.845 13.126 -1.103
87 2HB ARG 9 1HB ARG 9 -3.248 12.385 -1.857
88 1HG ARG 9 2HG ARG 9 -4.193 11.801 0.193
89 2HG ARG 9 1HG ARG 9 -2.667 11.985 1.058
90 1HD ARG 9 2HD ARG 9 -3.145 14.106 1.515
91 2HD ARG 9 1HD ARG 9 -3.335 14.462 -0.201
92 HE ARG 9 HE ARG 9 -5.575 14.557 0.164
93 1HH1 ARG 9 1HH1 ARG 9 -4.182 12.474 2.595
94 2HH1 ARG 9 2HH1 ARG 9 -5.687 12.213 3.411
95 1HH2 ARG 9 1HH2 ARG 9 -7.553 14.214 1.235
96 2HH2 ARG 9 2HH2 ARG 9 -7.602 13.200 2.640
97 H GLY 10 H GLY 10 -0.980 8.790 -0.317
98 1HA GLY 10 2HA GLY 10 0.414 9.983 1.968
99 2HA GLY 10 1HA GLY 10 -0.239 8.354 1.901
100 H ILE 11 H ILE 11 0.685 7.374 -0.366
101 HA ILE 11 HA ILE 11 2.742 7.276 -1.693
102 HB ILE 11 HB ILE 11 4.015 8.524 0.058
103 1HG1 ILE 11 2HG1 ILE 11 5.283 7.775 -1.763
104 2HG1 ILE 11 1HG1 ILE 11 6.165 7.178 -0.361
105 1HG2 ILE 11 1HG2 ILE 11 3.304 6.846 1.880
106 2HG2 ILE 11 2HG2 ILE 11 4.931 7.526 1.931
107 3HG2 ILE 11 3HG2 ILE 11 4.676 5.894 1.310
108 1HD1 ILE 11 1HD1 ILE 11 6.128 5.440 -1.959
109 2HD1 ILE 11 2HD1 ILE 11 4.391 5.629 -2.224
110 3HD1 ILE 11 3HD1 ILE 11 4.988 4.987 -0.690
111 H TYR 12 H TYR 12 1.666 5.489 -2.355
112 HA TYR 12 HA TYR 12 0.729 3.275 -1.462
113 1HB TYR 12 2HB TYR 12 2.848 3.391 -3.593
114 2HB TYR 12 1HB TYR 12 1.865 1.962 -3.283
115 HD1 TYR 12 1HD TYR 12 2.155 4.675 -5.368
116 HD2 TYR 12 2HD TYR 12 -0.775 2.642 -3.052
117 HE1 TYR 12 1HE TYR 12 0.387 5.585 -6.818
118 HE2 TYR 12 2HE TYR 12 -2.553 3.544 -4.487
119 HH TYR 12 HH TYR 12 -2.048 6.070 -6.668
120 H TYR 13 H TYR 13 1.078 1.513 -0.331
121 HA TYR 13 HA TYR 13 3.765 1.084 0.790
122 1HB TYR 13 2HB TYR 13 1.205 -0.017 1.938
123 2HB TYR 13 1HB TYR 13 2.756 0.218 2.744
124 HD1 TYR 13 1HD TYR 13 3.172 3.034 1.569
125 HD2 TYR 13 2HD TYR 13 -0.081 1.197 3.587
126 HE1 TYR 13 1HE TYR 13 2.431 5.233 2.332
127 HE2 TYR 13 2HE TYR 13 -0.841 3.400 4.376
128 HH TYR 13 HH TYR 13 0.011 5.620 4.750
129 H ARG 14 H ARG 14 4.651 -1.009 0.774
130 HA ARG 14 HA ARG 14 3.103 -3.087 -0.598
131 1HB ARG 14 2HB ARG 14 5.438 -1.708 -1.637
132 2HB ARG 14 1HB ARG 14 5.701 -3.443 -1.539
133 1HG ARG 14 2HG ARG 14 4.564 -3.709 -3.414
134 2HG ARG 14 1HG ARG 14 3.125 -3.059 -2.628
135 1HD ARG 14 2HD ARG 14 4.207 -0.754 -3.151
136 2HD ARG 14 1HD ARG 14 5.153 -1.664 -4.327
137 HE ARG 14 HE ARG 14 3.274 -1.898 -5.626
138 1HH1 ARG 14 1HH1 ARG 14 2.356 -0.699 -2.478
139 2HH1 ARG 14 2HH1 ARG 14 0.728 -0.347 -2.949
140 1HH2 ARG 14 1HH2 ARG 14 1.132 -1.433 -6.247
141 2HH2 ARG 14 2HH2 ARG 14 0.031 -0.764 -5.087
142 H ARG 15 H ARG 15 6.091 -2.347 1.179
143 HA ARG 15 HA ARG 15 6.897 -4.906 1.815
144 1HB ARG 15 2HB ARG 15 7.345 -2.228 2.894
145 2HB ARG 15 1HB ARG 15 7.476 -3.484 4.115
146 1HG ARG 15 2HG ARG 15 9.047 -3.249 1.562
147 2HG ARG 15 1HG ARG 15 9.644 -3.090 3.214
148 1HD ARG 15 2HD ARG 15 8.345 -5.605 2.986
149 2HD ARG 15 1HD ARG 15 9.435 -5.430 1.612
150 HE ARG 15 HE ARG 15 10.934 -4.677 3.757
151 1HH1 ARG 15 1HH1 ARG 15 9.082 -7.521 2.949
152 2HH1 ARG 15 2HH1 ARG 15 10.095 -8.593 3.856
153 1HH2 ARG 15 1HH2 ARG 15 12.272 -6.086 4.950
154 2HH2 ARG 15 2HH2 ARG 15 11.906 -7.777 4.992
155 H TYR 16 H TYR 16 6.081 -6.508 2.974
156 HA TYR 16 HA TYR 16 3.910 -5.905 4.868
157 1HB TYR 16 2HB TYR 16 2.911 -7.998 4.348
158 2HB TYR 16 1HB TYR 16 3.363 -7.287 2.802
159 HD1 TYR 16 1HD TYR 16 5.636 -8.051 1.802
160 HD2 TYR 16 2HD TYR 16 3.569 -10.167 4.861
161 HE1 TYR 16 1HE TYR 16 6.893 -10.086 1.236
162 HE2 TYR 16 2HE TYR 16 4.821 -12.207 4.304
163 HH TYR 16 HH TYR 16 6.051 -13.172 2.474
164 H ARG 17 H ARG 17 3.912 -8.592 5.959
165 HA ARG 17 HA ARG 17 5.380 -8.368 8.219
166 1HB ARG 17 2HB ARG 17 4.600 -10.825 6.669
167 2HB ARG 17 1HB ARG 17 5.438 -10.942 8.211
168 1HG ARG 17 2HG ARG 17 3.464 -9.292 8.928
169 2HG ARG 17 1HG ARG 17 2.656 -10.151 7.613
170 1HD ARG 17 2HD ARG 17 3.787 -11.243 10.167
171 2HD ARG 17 1HD ARG 17 2.156 -11.411 9.519
172 HE ARG 17 HE ARG 17 4.393 -13.093 8.984
173 1HH1 ARG 17 1HH1 ARG 17 1.478 -11.796 7.572
174 2HH1 ARG 17 2HH1 ARG 17 1.285 -13.108 6.457
175 1HH2 ARG 17 1HH2 ARG 17 4.143 -14.819 7.519
176 2HH2 ARG 17 2HH2 ARG 17 2.797 -14.824 6.428
Start of MODEL 13
1 1H LYS 1 1HT LYS 1 -5.782 -12.072 6.089
2 2H LYS 1 2HT LYS 1 -5.575 -10.502 6.752
3 3H LYS 1 3HT LYS 1 -4.205 -11.461 6.364
4 HA LYS 1 HA LYS 1 -4.670 -11.338 4.080
5 1HB LYS 1 2HB LYS 1 -7.105 -11.416 4.264
6 2HB LYS 1 1HB LYS 1 -7.124 -9.809 4.975
7 1HG LYS 1 2HG LYS 1 -7.776 -9.830 2.601
8 2HG LYS 1 1HG LYS 1 -6.357 -8.831 2.919
9 1HD LYS 1 2HD LYS 1 -6.030 -10.140 0.899
10 2HD LYS 1 1HD LYS 1 -4.913 -10.673 2.158
11 1HE LYS 1 2HE LYS 1 -5.807 -12.614 1.085
12 2HE LYS 1 1HE LYS 1 -6.506 -12.508 2.701
13 1HZ LYS 1 1HZ LYS 1 -8.015 -11.221 0.579
14 2HZ LYS 1 2HZ LYS 1 -8.557 -12.150 1.883
15 3HZ LYS 1 3HZ LYS 1 -7.942 -12.910 0.503
16 H TRP 2 H TRP 2 -3.199 -9.988 3.280
17 HA TRP 2 HA TRP 2 -2.182 -7.792 4.677
18 1HB TRP 2 2HB TRP 2 -0.801 -7.442 2.754
19 2HB TRP 2 1HB TRP 2 -1.032 -9.175 2.906
20 HD1 TRP 2 HD TRP 2 -4.147 -8.308 1.498
21 HE1 TRP 2 1HE TRP 2 -4.115 -8.385 -1.052
22 HE3 TRP 2 3HE TRP 2 0.882 -8.316 0.749
23 HZ2 TRP 2 2HZ TRP 2 -2.218 -8.445 -3.151
24 HZ3 TRP 2 3HZ TRP 2 1.745 -8.389 -1.562
25 HH2 TRP 2 HH TRP 2 0.221 -8.455 -3.472
26 H TYR 3 H TYR 3 -1.923 -5.864 2.542
27 HA TYR 3 HA TYR 3 -4.666 -4.811 2.423
28 1HB TYR 3 2HB TYR 3 -3.432 -2.506 2.465
29 2HB TYR 3 1HB TYR 3 -3.714 -3.372 3.966
30 HD1 TYR 3 1HD TYR 3 -1.977 -2.553 5.307
31 HD2 TYR 3 2HD TYR 3 -1.077 -4.110 1.450
32 HE1 TYR 3 1HE TYR 3 0.422 -2.458 5.834
33 HE2 TYR 3 2HE TYR 3 1.324 -4.020 1.968
34 HH TYR 3 HH TYR 3 2.504 -3.487 5.125
35 H PHE 4 H PHE 4 -2.632 -2.621 0.955
36 HA PHE 4 HA PHE 4 -1.871 -3.654 -1.457
37 1HB PHE 4 2HB PHE 4 -3.733 -3.190 -2.977
38 2HB PHE 4 1HB PHE 4 -4.213 -4.372 -1.772
39 HD1 PHE 4 1HD PHE 4 -5.898 -2.457 -3.569
40 HD2 PHE 4 2HD PHE 4 -4.648 -2.328 0.496
41 HE1 PHE 4 1HE PHE 4 -7.845 -1.062 -3.011
42 HE2 PHE 4 2HE PHE 4 -6.577 -0.941 1.060
43 HZ PHE 4 HZ PHE 4 -8.192 -0.302 -0.692
44 H ARG 5 H ARG 5 -3.499 -1.303 -2.860
45 HA ARG 5 HA ARG 5 -1.527 0.560 -3.000
46 1HB ARG 5 2HB ARG 5 -4.478 1.182 -3.062
47 2HB ARG 5 1HB ARG 5 -3.196 2.153 -3.771
48 1HG ARG 5 2HG ARG 5 -2.663 0.233 -5.264
49 2HG ARG 5 1HG ARG 5 -4.080 -0.595 -4.619
50 1HD ARG 5 2HD ARG 5 -5.483 0.603 -5.877
51 2HD ARG 5 1HD ARG 5 -4.666 2.116 -5.493
52 HE ARG 5 HE ARG 5 -3.554 1.968 -7.480
53 1HH1 ARG 5 1HH1 ARG 5 -4.831 -1.182 -6.685
54 2HH1 ARG 5 2HH1 ARG 5 -4.381 -1.886 -8.203
55 1HH2 ARG 5 1HH2 ARG 5 -2.963 1.043 -9.478
56 2HH2 ARG 5 2HH2 ARG 5 -3.320 -0.623 -9.788
57 H VAL 6 H VAL 6 -4.440 1.467 -1.256
58 HA VAL 6 HA VAL 6 -4.728 3.006 0.436
59 HB VAL 6 HB VAL 6 -2.670 1.293 1.741
60 1HG1 VAL 6 1HG1 VAL 6 -3.700 1.864 3.810
61 2HG1 VAL 6 2HG1 VAL 6 -5.058 2.632 2.986
62 3HG1 VAL 6 3HG1 VAL 6 -3.457 3.369 2.922
63 1HG2 VAL 6 1HG2 VAL 6 -4.097 -0.331 0.990
64 2HG2 VAL 6 2HG2 VAL 6 -5.493 0.747 1.024
65 3HG2 VAL 6 3HG2 VAL 6 -4.859 0.078 2.529
66 H TYR 7 H TYR 7 -3.868 4.876 -0.301
67 HA TYR 7 HA TYR 7 -1.486 5.755 1.048
68 1HB TYR 7 2HB TYR 7 -0.076 5.724 -0.673
69 2HB TYR 7 1HB TYR 7 -1.211 4.606 -1.414
70 HD1 TYR 7 1HD TYR 7 -3.355 6.166 -2.525
71 HD2 TYR 7 2HD TYR 7 0.742 7.282 -2.168
72 HE1 TYR 7 1HE TYR 7 -3.597 7.696 -4.423
73 HE2 TYR 7 2HE TYR 7 0.496 8.822 -4.054
74 HH TYR 7 HH TYR 7 -0.968 9.109 -6.017
75 H TYR 8 H TYR 8 -4.030 6.339 -1.193
76 HA TYR 8 HA TYR 8 -5.144 8.191 -1.874
77 1HB TYR 8 2HB TYR 8 -5.412 9.697 0.380
78 2HB TYR 8 1HB TYR 8 -6.386 8.302 -0.057
79 HD1 TYR 8 1HD TYR 8 -3.891 9.584 2.276
80 HD2 TYR 8 2HD TYR 8 -5.900 6.082 0.918
81 HE1 TYR 8 1HE TYR 8 -3.142 8.384 4.281
82 HE2 TYR 8 2HE TYR 8 -5.153 4.869 2.923
83 HH TYR 8 HH TYR 8 -3.823 6.434 5.623
84 H ARG 9 H ARG 9 -3.361 9.887 0.592
85 HA ARG 9 HA ARG 9 -1.841 11.308 -1.471
86 1HB ARG 9 2HB ARG 9 -1.893 13.270 0.168
87 2HB ARG 9 1HB ARG 9 -3.401 12.918 -0.663
88 1HG ARG 9 2HG ARG 9 -4.110 11.626 1.362
89 2HG ARG 9 1HG ARG 9 -2.678 12.256 2.176
90 1HD ARG 9 2HD ARG 9 -4.783 13.542 2.606
91 2HD ARG 9 1HD ARG 9 -3.447 14.498 1.966
92 HE ARG 9 HE ARG 9 -4.658 14.869 0.051
93 1HH1 ARG 9 1HH1 ARG 9 -6.209 12.365 1.924
94 2HH1 ARG 9 2HH1 ARG 9 -7.645 12.361 0.958
95 1HH2 ARG 9 1HH2 ARG 9 -6.546 14.863 -1.221
96 2HH2 ARG 9 2HH2 ARG 9 -7.837 13.778 -0.825
97 H GLY 10 H GLY 10 -1.113 8.964 -0.297
98 1HA GLY 10 2HA GLY 10 0.926 9.707 1.689
99 2HA GLY 10 1HA GLY 10 0.140 8.140 1.590
100 H ILE 11 H ILE 11 0.946 6.578 0.305
101 HA ILE 11 HA ILE 11 2.536 6.905 -1.930
102 HB ILE 11 HB ILE 11 4.079 7.939 -0.221
103 1HG1 ILE 11 2HG1 ILE 11 5.111 7.638 -2.240
104 2HG1 ILE 11 1HG1 ILE 11 6.072 6.532 -1.263
105 1HG2 ILE 11 1HG2 ILE 11 4.291 6.698 1.639
106 2HG2 ILE 11 2HG2 ILE 11 5.668 6.086 0.728
107 3HG2 ILE 11 3HG2 ILE 11 4.170 5.173 0.774
108 1HD1 ILE 11 1HD1 ILE 11 5.393 5.568 -3.424
109 2HD1 ILE 11 2HD1 ILE 11 3.698 5.724 -2.945
110 3HD1 ILE 11 3HD1 ILE 11 4.778 4.658 -2.046
111 H TYR 12 H TYR 12 0.886 5.135 -2.046
112 HA TYR 12 HA TYR 12 0.308 2.825 -1.530
113 1HB TYR 12 2HB TYR 12 2.263 3.283 -3.753
114 2HB TYR 12 1HB TYR 12 1.745 1.640 -3.395
115 HD1 TYR 12 1HD TYR 12 -0.305 4.710 -3.176
116 HD2 TYR 12 2HD TYR 12 0.499 1.132 -5.317
117 HE1 TYR 12 1HE TYR 12 -2.336 5.068 -4.527
118 HE2 TYR 12 2HE TYR 12 -1.523 1.476 -6.678
119 HH TYR 12 HH TYR 12 -3.867 3.897 -5.902
120 H TYR 13 H TYR 13 0.925 1.938 0.403
121 HA TYR 13 HA TYR 13 3.726 1.269 0.798
122 1HB TYR 13 2HB TYR 13 1.669 0.642 2.859
123 2HB TYR 13 1HB TYR 13 3.315 1.251 3.052
124 HD1 TYR 13 1HD TYR 13 0.348 2.213 4.004
125 HD2 TYR 13 2HD TYR 13 3.288 3.568 1.241
126 HE1 TYR 13 1HE TYR 13 -0.545 4.497 4.157
127 HE2 TYR 13 2HE TYR 13 2.419 5.795 1.368
128 HH TYR 13 HH TYR 13 -0.569 6.555 2.885
129 H ARG 14 H ARG 14 1.945 -0.209 -1.097
130 HA ARG 14 HA ARG 14 1.181 -2.694 -0.086
131 1HB ARG 14 2HB ARG 14 1.066 -3.441 -2.354
132 2HB ARG 14 1HB ARG 14 0.571 -1.756 -2.326
133 1HG ARG 14 2HG ARG 14 2.008 -1.429 -3.982
134 2HG ARG 14 1HG ARG 14 3.292 -1.626 -2.788
135 1HD ARG 14 2HD ARG 14 2.800 -4.201 -3.318
136 2HD ARG 14 1HD ARG 14 2.312 -3.501 -4.861
137 HE ARG 14 HE ARG 14 4.719 -2.366 -4.429
138 1HH1 ARG 14 1HH1 ARG 14 3.621 -5.679 -4.360
139 2HH1 ARG 14 2HH1 ARG 14 5.150 -6.327 -4.849
140 1HH2 ARG 14 1HH2 ARG 14 6.732 -3.219 -5.075
141 2HH2 ARG 14 2HH2 ARG 14 6.917 -4.931 -5.253
142 H ARG 15 H ARG 15 2.157 -4.722 -0.092
143 HA ARG 15 HA ARG 15 4.907 -5.076 -0.831
144 1HB ARG 15 2HB ARG 15 5.772 -5.560 1.390
145 2HB ARG 15 1HB ARG 15 5.159 -3.913 1.331
146 1HG ARG 15 2HG ARG 15 3.330 -4.407 2.661
147 2HG ARG 15 1HG ARG 15 3.423 -6.136 2.321
148 1HD ARG 15 2HD ARG 15 5.856 -5.220 3.556
149 2HD ARG 15 1HD ARG 15 4.463 -4.768 4.537
150 HE ARG 15 HE ARG 15 5.478 -7.417 4.080
151 1HH1 ARG 15 1HH1 ARG 15 2.661 -5.544 4.939
152 2HH1 ARG 15 2HH1 ARG 15 1.895 -6.850 5.779
153 1HH2 ARG 15 1HH2 ARG 15 4.471 -9.136 5.185
154 2HH2 ARG 15 2HH2 ARG 15 2.921 -8.888 5.920
155 H TYR 16 H TYR 16 5.641 -7.310 -0.423
156 HA TYR 16 HA TYR 16 3.438 -9.143 -0.816
157 1HB TYR 16 2HB TYR 16 4.962 -10.585 -1.756
158 2HB TYR 16 1HB TYR 16 5.794 -9.060 -2.019
159 HD1 TYR 16 1HD TYR 16 6.823 -8.627 0.793
160 HD2 TYR 16 2HD TYR 16 6.770 -12.083 -1.690
161 HE1 TYR 16 1HE TYR 16 8.780 -9.509 1.987
162 HE2 TYR 16 2HE TYR 16 8.730 -12.973 -0.501
163 HH TYR 16 HH TYR 16 9.767 -12.657 1.837
164 H ARG 17 H ARG 17 4.488 -11.496 0.243
165 HA ARG 17 HA ARG 17 4.308 -12.756 2.131
166 1HB ARG 17 2HB ARG 17 6.438 -10.996 2.440
167 2HB ARG 17 1HB ARG 17 5.554 -10.858 3.955
168 1HG ARG 17 2HG ARG 17 7.320 -12.552 4.054
169 2HG ARG 17 1HG ARG 17 5.717 -13.243 4.311
170 1HD ARG 17 2HD ARG 17 5.666 -14.187 2.152
171 2HD ARG 17 1HD ARG 17 7.034 -13.217 1.610
172 HE ARG 17 HE ARG 17 8.439 -14.795 2.477
173 1HH1 ARG 17 1HH1 ARG 17 5.274 -15.237 3.879
174 2HH1 ARG 17 2HH1 ARG 17 5.699 -16.708 4.686
175 1HH2 ARG 17 1HH2 ARG 17 8.999 -16.731 3.536
176 2HH2 ARG 17 2HH2 ARG 17 7.816 -17.557 4.492
Start of MODEL 14
1 1H LYS 1 1HT LYS 1 0.212 -3.823 8.767
2 2H LYS 1 2HT LYS 1 -0.425 -5.326 8.239
3 3H LYS 1 3HT LYS 1 -1.232 -4.433 9.463
4 HA LYS 1 HA LYS 1 -2.347 -4.250 7.379
5 1HB LYS 1 2HB LYS 1 -1.685 -1.564 7.270
6 2HB LYS 1 1HB LYS 1 -2.898 -2.284 8.313
7 1HG LYS 1 2HG LYS 1 -1.607 -0.966 9.732
8 2HG LYS 1 1HG LYS 1 -1.010 -2.602 10.005
9 1HD LYS 1 2HD LYS 1 0.957 -1.414 9.800
10 2HD LYS 1 1HD LYS 1 0.715 -1.979 8.148
11 1HE LYS 1 2HE LYS 1 -0.544 0.267 7.834
12 2HE LYS 1 1HE LYS 1 0.319 0.758 9.291
13 1HZ LYS 1 1HZ LYS 1 1.300 1.053 6.845
14 2HZ LYS 1 2HZ LYS 1 1.927 -0.476 7.208
15 3HZ LYS 1 3HZ LYS 1 2.277 0.841 8.210
16 H TRP 2 H TRP 2 -1.782 -5.002 5.421
17 HA TRP 2 HA TRP 2 0.516 -3.798 4.065
18 1HB TRP 2 2HB TRP 2 0.871 -5.805 3.005
19 2HB TRP 2 1HB TRP 2 0.092 -6.404 4.466
20 HD1 TRP 2 HD TRP 2 -2.153 -7.711 4.164
21 HE1 TRP 2 1HE TRP 2 -3.608 -8.319 2.130
22 HE3 TRP 2 3HE TRP 2 0.144 -4.820 0.666
23 HZ2 TRP 2 2HZ TRP 2 -3.742 -7.673 -0.625
24 HZ3 TRP 2 3HZ TRP 2 -0.694 -4.869 -1.659
25 HH2 TRP 2 HH TRP 2 -2.600 -6.263 -2.285
26 H TYR 3 H TYR 3 -2.869 -3.881 4.155
27 HA TYR 3 HA TYR 3 -4.546 -3.375 2.651
28 1HB TYR 3 2HB TYR 3 -3.890 -0.926 1.746
29 2HB TYR 3 1HB TYR 3 -4.322 -1.234 3.426
30 HD1 TYR 3 1HD TYR 3 -2.854 -0.633 5.115
31 HD2 TYR 3 2HD TYR 3 -1.371 -1.160 1.170
32 HE1 TYR 3 1HE TYR 3 -0.631 0.079 5.859
33 HE2 TYR 3 2HE TYR 3 0.848 -0.455 1.892
34 HH TYR 3 HH TYR 3 1.426 1.098 4.819
35 H PHE 4 H PHE 4 -3.106 -1.351 0.409
36 HA PHE 4 HA PHE 4 -2.060 -3.209 -1.446
37 1HB PHE 4 2HB PHE 4 -3.924 -3.214 -3.063
38 2HB PHE 4 1HB PHE 4 -4.379 -3.982 -1.546
39 HD1 PHE 4 1HD PHE 4 -5.622 -2.028 -4.020
40 HD2 PHE 4 2HD PHE 4 -5.263 -2.020 0.222
41 HE1 PHE 4 1HE PHE 4 -7.538 -0.496 -3.860
42 HE2 PHE 4 2HE PHE 4 -7.163 -0.485 0.394
43 HZ PHE 4 HZ PHE 4 -8.317 0.277 -1.652
44 H ARG 5 H ARG 5 -4.122 -0.289 -1.519
45 HA ARG 5 HA ARG 5 -1.941 1.322 -2.514
46 1HB ARG 5 2HB ARG 5 -4.493 1.141 -4.123
47 2HB ARG 5 1HB ARG 5 -3.050 2.063 -4.517
48 1HG ARG 5 2HG ARG 5 -3.148 -0.941 -4.366
49 2HG ARG 5 1HG ARG 5 -3.343 -0.008 -5.850
50 1HD ARG 5 2HD ARG 5 -0.955 0.525 -4.161
51 2HD ARG 5 1HD ARG 5 -0.990 -0.964 -5.102
52 HE ARG 5 HE ARG 5 -0.716 1.724 -6.103
53 1HH1 ARG 5 1HH1 ARG 5 -1.595 -1.562 -6.884
54 2HH1 ARG 5 2HH1 ARG 5 -1.272 -1.378 -8.575
55 1HH2 ARG 5 1HH2 ARG 5 -0.292 1.967 -8.325
56 2HH2 ARG 5 2HH2 ARG 5 -0.534 0.625 -9.393
57 H VAL 6 H VAL 6 -3.824 1.071 -0.215
58 HA VAL 6 HA VAL 6 -5.807 2.989 -0.102
59 HB VAL 6 HB VAL 6 -3.881 2.191 2.067
60 1HG1 VAL 6 1HG1 VAL 6 -6.204 2.688 3.358
61 2HG1 VAL 6 2HG1 VAL 6 -6.304 3.876 2.059
62 3HG1 VAL 6 3HG1 VAL 6 -4.922 3.881 3.153
63 1HG2 VAL 6 1HG2 VAL 6 -6.625 1.047 1.633
64 2HG2 VAL 6 2HG2 VAL 6 -5.311 0.415 2.623
65 3HG2 VAL 6 3HG2 VAL 6 -5.196 0.358 0.865
66 H TYR 7 H TYR 7 -2.408 3.366 -0.076
67 HA TYR 7 HA TYR 7 -1.466 5.425 1.101
68 1HB TYR 7 2HB TYR 7 0.016 5.419 -0.529
69 2HB TYR 7 1HB TYR 7 -1.015 4.233 -1.304
70 HD1 TYR 7 1HD TYR 7 0.921 6.861 -2.092
71 HD2 TYR 7 2HD TYR 7 -3.176 5.737 -2.555
72 HE1 TYR 7 1HE TYR 7 0.730 8.341 -4.037
73 HE2 TYR 7 2HE TYR 7 -3.350 7.211 -4.502
74 HH TYR 7 HH TYR 7 -1.519 9.602 -5.185
75 H TYR 8 H TYR 8 -3.927 5.874 -1.262
76 HA TYR 8 HA TYR 8 -5.061 7.607 -2.094
77 1HB TYR 8 2HB TYR 8 -5.815 9.251 -0.179
78 2HB TYR 8 1HB TYR 8 -6.484 7.649 -0.406
79 HD1 TYR 8 1HD TYR 8 -6.666 6.247 1.404
80 HD2 TYR 8 2HD TYR 8 -3.797 9.385 1.573
81 HE1 TYR 8 1HE TYR 8 -6.192 5.685 3.747
82 HE2 TYR 8 2HE TYR 8 -3.307 8.820 3.907
83 HH TYR 8 HH TYR 8 -3.625 6.419 5.332
84 H ARG 9 H ARG 9 -2.999 9.151 0.298
85 HA ARG 9 HA ARG 9 -1.787 10.792 -1.759
86 1HB ARG 9 2HB ARG 9 -2.226 12.870 -0.639
87 2HB ARG 9 1HB ARG 9 -3.764 12.050 -0.865
88 1HG ARG 9 2HG ARG 9 -4.145 12.429 1.286
89 2HG ARG 9 1HG ARG 9 -2.938 11.186 1.621
90 1HD ARG 9 2HD ARG 9 -1.374 13.373 1.178
91 2HD ARG 9 1HD ARG 9 -2.792 14.100 1.931
92 HE ARG 9 HE ARG 9 -0.800 12.536 3.214
93 1HH1 ARG 9 1HH1 ARG 9 -4.219 13.233 3.252
94 2HH1 ARG 9 2HH1 ARG 9 -4.408 12.830 4.926
95 1HH2 ARG 9 1HH2 ARG 9 -1.047 12.005 5.414
96 2HH2 ARG 9 2HH2 ARG 9 -2.609 12.134 6.153
97 H GLY 10 H GLY 10 -1.022 8.567 -0.069
98 1HA GLY 10 2HA GLY 10 0.930 9.791 1.749
99 2HA GLY 10 1HA GLY 10 0.342 8.137 1.832
100 H ILE 11 H ILE 11 1.031 6.634 0.280
101 HA ILE 11 HA ILE 11 2.665 6.791 -1.805
102 HB ILE 11 HB ILE 11 4.173 8.165 -0.361
103 1HG1 ILE 11 2HG1 ILE 11 4.961 7.281 -2.447
104 2HG1 ILE 11 1HG1 ILE 11 6.244 7.114 -1.251
105 1HG2 ILE 11 1HG2 ILE 11 4.705 5.538 0.963
106 2HG2 ILE 11 2HG2 ILE 11 4.208 7.059 1.701
107 3HG2 ILE 11 3HG2 ILE 11 5.822 6.898 1.019
108 1HD1 ILE 11 1HD1 ILE 11 4.448 4.993 -2.356
109 2HD1 ILE 11 2HD1 ILE 11 5.434 4.758 -0.907
110 3HD1 ILE 11 3HD1 ILE 11 6.208 5.104 -2.458
111 H TYR 12 H TYR 12 1.167 5.111 -1.766
112 HA TYR 12 HA TYR 12 0.364 2.990 -1.312
113 1HB TYR 12 2HB TYR 12 2.843 2.777 -2.970
114 2HB TYR 12 1HB TYR 12 1.695 1.451 -2.786
115 HD1 TYR 12 1HD TYR 12 -0.863 2.923 -2.790
116 HD2 TYR 12 2HD TYR 12 2.592 3.422 -5.216
117 HE1 TYR 12 1HE TYR 12 -2.263 3.881 -4.560
118 HE2 TYR 12 2HE TYR 12 1.202 4.381 -7.007
119 HH TYR 12 HH TYR 12 -2.173 4.177 -7.023
120 H TYR 13 H TYR 13 3.848 2.594 -0.775
121 HA TYR 13 HA TYR 13 4.877 1.566 0.967
122 1HB TYR 13 2HB TYR 13 2.305 0.587 2.144
123 2HB TYR 13 1HB TYR 13 3.807 1.004 2.965
124 HD1 TYR 13 1HD TYR 13 4.495 3.558 2.219
125 HD2 TYR 13 2HD TYR 13 0.568 2.027 2.735
126 HE1 TYR 13 1HE TYR 13 3.676 5.805 2.585
127 HE2 TYR 13 2HE TYR 13 -0.270 4.302 3.124
128 HH TYR 13 HH TYR 13 0.819 6.548 3.985
129 H ARG 14 H ARG 14 4.630 -0.878 2.071
130 HA ARG 14 HA ARG 14 4.809 -3.108 1.631
131 1HB ARG 14 2HB ARG 14 2.532 -3.382 1.532
132 2HB ARG 14 1HB ARG 14 2.338 -2.229 0.225
133 1HG ARG 14 2HG ARG 14 3.606 -4.896 -0.262
134 2HG ARG 14 1HG ARG 14 1.856 -4.713 -0.217
135 1HD ARG 14 2HD ARG 14 3.288 -2.751 -1.881
136 2HD ARG 14 1HD ARG 14 3.356 -4.418 -2.449
137 HE ARG 14 HE ARG 14 0.714 -3.500 -1.754
138 1HH1 ARG 14 1HH1 ARG 14 3.105 -3.753 -4.286
139 2HH1 ARG 14 2HH1 ARG 14 1.943 -3.635 -5.565
140 1HH2 ARG 14 1HH2 ARG 14 -0.813 -3.347 -3.437
141 2HH2 ARG 14 2HH2 ARG 14 -0.280 -3.405 -5.084
142 H ARG 15 H ARG 15 5.465 -4.713 0.041
143 HA ARG 15 HA ARG 15 6.091 -3.882 -2.635
144 1HB ARG 15 2HB ARG 15 8.609 -4.604 -2.092
145 2HB ARG 15 1HB ARG 15 8.064 -2.936 -2.013
146 1HG ARG 15 2HG ARG 15 7.694 -4.404 0.485
147 2HG ARG 15 1HG ARG 15 9.376 -4.280 -0.031
148 1HD ARG 15 2HD ARG 15 7.428 -2.039 0.460
149 2HD ARG 15 1HD ARG 15 8.907 -2.394 1.352
150 HE ARG 15 HE ARG 15 9.829 -1.969 -1.135
151 1HH1 ARG 15 1HH1 ARG 15 7.661 -0.131 0.893
152 2HH1 ARG 15 2HH1 ARG 15 8.114 1.392 0.208
153 1HH2 ARG 15 1HH2 ARG 15 10.423 0.035 -2.035
154 2HH2 ARG 15 2HH2 ARG 15 9.682 1.487 -1.454
155 H TYR 16 H TYR 16 4.500 -5.932 -1.613
156 HA TYR 16 HA TYR 16 6.049 -8.385 -1.834
157 1HB TYR 16 2HB TYR 16 4.247 -9.488 -0.892
158 2HB TYR 16 1HB TYR 16 4.064 -7.886 -0.191
159 HD1 TYR 16 1HD TYR 16 2.906 -6.560 -2.712
160 HD2 TYR 16 2HD TYR 16 1.993 -10.198 -0.704
161 HE1 TYR 16 1HE TYR 16 0.612 -6.462 -3.587
162 HE2 TYR 16 2HE TYR 16 -0.306 -10.106 -1.571
163 HH TYR 16 HH TYR 16 -1.885 -8.530 -2.444
164 H ARG 17 H ARG 17 3.986 -9.990 -3.007
165 HA ARG 17 HA ARG 17 3.486 -10.841 -5.050
166 1HB ARG 17 2HB ARG 17 1.893 -9.635 -6.121
167 2HB ARG 17 1HB ARG 17 2.040 -8.600 -4.709
168 1HG ARG 17 2HG ARG 17 3.912 -7.486 -6.283
169 2HG ARG 17 1HG ARG 17 2.810 -8.111 -7.510
170 1HD ARG 17 2HD ARG 17 0.963 -7.009 -6.090
171 2HD ARG 17 1HD ARG 17 2.283 -6.113 -5.339
172 HE ARG 17 HE ARG 17 1.156 -5.656 -7.912
173 1HH1 ARG 17 1HH1 ARG 17 4.150 -5.516 -6.126
174 2HH1 ARG 17 2HH1 ARG 17 4.839 -4.289 -7.133
175 1HH2 ARG 17 1HH2 ARG 17 2.062 -4.043 -9.241
176 2HH2 ARG 17 2HH2 ARG 17 3.654 -3.453 -8.902
Start of MODEL 15
1 1H LYS 1 1HT LYS 1 -3.755 -9.024 8.263
2 2H LYS 1 2HT LYS 1 -4.309 -7.494 7.720
3 3H LYS 1 3HT LYS 1 -2.736 -7.651 8.388
4 HA LYS 1 HA LYS 1 -2.020 -8.957 6.592
5 1HB LYS 1 2HB LYS 1 -4.912 -9.167 6.199
6 2HB LYS 1 1HB LYS 1 -4.040 -8.854 4.705
7 1HG LYS 1 2HG LYS 1 -3.585 -11.137 6.614
8 2HG LYS 1 1HG LYS 1 -4.299 -11.223 5.003
9 1HD LYS 1 2HD LYS 1 -2.225 -11.707 4.304
10 2HD LYS 1 1HD LYS 1 -1.900 -9.987 4.520
11 1HE LYS 1 2HE LYS 1 -1.614 -11.138 7.058
12 2HE LYS 1 1HE LYS 1 -0.821 -12.247 5.942
13 1HZ LYS 1 1HZ LYS 1 0.369 -10.113 6.976
14 2HZ LYS 1 2HZ LYS 1 -0.243 -9.426 5.556
15 3HZ LYS 1 3HZ LYS 1 0.787 -10.766 5.472
16 H TRP 2 H TRP 2 -2.350 -8.106 4.014
17 HA TRP 2 HA TRP 2 -1.255 -5.522 4.083
18 1HB TRP 2 2HB TRP 2 -1.097 -5.798 1.722
19 2HB TRP 2 1HB TRP 2 -0.867 -7.394 2.423
20 HD1 TRP 2 HD TRP 2 -4.007 -8.024 2.873
21 HE1 TRP 2 1HE TRP 2 -5.410 -8.575 0.801
22 HE3 TRP 2 3HE TRP 2 -1.019 -5.991 -0.626
23 HZ2 TRP 2 2HZ TRP 2 -5.263 -8.186 -2.017
24 HZ3 TRP 2 3HZ TRP 2 -1.678 -6.084 -3.010
25 HH2 TRP 2 HH TRP 2 -3.764 -7.172 -3.687
26 H TYR 3 H TYR 3 -2.691 -4.653 1.600
27 HA TYR 3 HA TYR 3 -5.305 -3.894 2.642
28 1HB TYR 3 2HB TYR 3 -4.784 -1.510 1.766
29 2HB TYR 3 1HB TYR 3 -4.177 -1.985 3.343
30 HD1 TYR 3 1HD TYR 3 -1.719 -3.339 2.936
31 HD2 TYR 3 2HD TYR 3 -3.332 -0.120 0.667
32 HE1 TYR 3 1HE TYR 3 0.539 -2.725 2.215
33 HE2 TYR 3 2HE TYR 3 -1.066 0.511 -0.049
34 HH TYR 3 HH TYR 3 1.207 -0.790 -0.313
35 H PHE 4 H PHE 4 -3.636 -2.484 -0.086
36 HA PHE 4 HA PHE 4 -4.297 -4.067 -2.181
37 1HB PHE 4 2HB PHE 4 -6.407 -3.172 -3.062
38 2HB PHE 4 1HB PHE 4 -6.651 -3.955 -1.511
39 HD1 PHE 4 1HD PHE 4 -6.093 -1.970 0.486
40 HD2 PHE 4 2HD PHE 4 -7.858 -1.455 -3.354
41 HE1 PHE 4 1HE PHE 4 -7.270 -0.008 1.306
42 HE2 PHE 4 2HE PHE 4 -9.024 0.550 -2.538
43 HZ PHE 4 HZ PHE 4 -8.734 1.279 -0.204
44 H ARG 5 H ARG 5 -4.700 -0.723 -1.138
45 HA ARG 5 HA ARG 5 -2.618 0.200 -2.862
46 1HB ARG 5 2HB ARG 5 -5.346 1.385 -3.318
47 2HB ARG 5 1HB ARG 5 -3.869 1.719 -4.206
48 1HG ARG 5 2HG ARG 5 -3.922 -0.641 -5.027
49 2HG ARG 5 1HG ARG 5 -5.509 -0.805 -4.272
50 1HD ARG 5 2HD ARG 5 -5.596 1.559 -5.790
51 2HD ARG 5 1HD ARG 5 -4.805 0.353 -6.804
52 HE ARG 5 HE ARG 5 -7.123 -0.733 -5.597
53 1HH1 ARG 5 1HH1 ARG 5 -6.118 1.455 -8.124
54 2HH1 ARG 5 2HH1 ARG 5 -7.537 1.198 -9.082
55 1HH2 ARG 5 1HH2 ARG 5 -8.990 -1.071 -6.855
56 2HH2 ARG 5 2HH2 ARG 5 -9.170 -0.235 -8.361
57 H VAL 6 H VAL 6 -5.533 1.505 -1.410
58 HA VAL 6 HA VAL 6 -5.893 3.242 -0.001
59 HB VAL 6 HB VAL 6 -3.582 1.829 1.306
60 1HG1 VAL 6 1HG1 VAL 6 -4.981 4.314 2.241
61 2HG1 VAL 6 2HG1 VAL 6 -3.250 3.979 2.175
62 3HG1 VAL 6 3HG1 VAL 6 -4.260 3.176 3.378
63 1HG2 VAL 6 1HG2 VAL 6 -6.533 1.829 1.546
64 2HG2 VAL 6 2HG2 VAL 6 -5.586 1.556 3.008
65 3HG2 VAL 6 3HG2 VAL 6 -5.387 0.491 1.617
66 H TYR 7 H TYR 7 -2.417 3.325 0.374
67 HA TYR 7 HA TYR 7 -0.958 5.069 0.197
68 1HB TYR 7 2HB TYR 7 -0.412 4.852 -1.944
69 2HB TYR 7 1HB TYR 7 -2.028 4.301 -2.324
70 HD1 TYR 7 1HD TYR 7 -3.744 5.912 -3.070
71 HD2 TYR 7 2HD TYR 7 0.339 7.036 -2.517
72 HE1 TYR 7 1HE TYR 7 -4.101 7.926 -4.458
73 HE2 TYR 7 2HE TYR 7 -0.018 9.039 -3.882
74 HH TYR 7 HH TYR 7 -2.063 9.540 -5.935
75 H TYR 8 H TYR 8 -3.894 6.276 -1.317
76 HA TYR 8 HA TYR 8 -4.801 8.402 -1.362
77 1HB TYR 8 2HB TYR 8 -5.966 8.790 0.703
78 2HB TYR 8 1HB TYR 8 -5.873 7.051 0.431
79 HD1 TYR 8 1HD TYR 8 -5.307 9.660 2.764
80 HD2 TYR 8 2HD TYR 8 -3.900 5.825 1.610
81 HE1 TYR 8 1HE TYR 8 -4.288 9.373 4.979
82 HE2 TYR 8 2HE TYR 8 -2.890 5.505 3.815
83 HH TYR 8 HH TYR 8 -3.632 7.344 6.457
84 H ARG 9 H ARG 9 -3.025 9.706 -2.023
85 HA ARG 9 HA ARG 9 -1.400 11.297 -1.829
86 1HB ARG 9 2HB ARG 9 -1.958 13.173 -0.407
87 2HB ARG 9 1HB ARG 9 -3.438 12.555 -1.122
88 1HG ARG 9 2HG ARG 9 -4.181 11.647 0.892
89 2HG ARG 9 1HG ARG 9 -2.571 11.688 1.613
90 1HD ARG 9 2HD ARG 9 -2.897 14.301 1.142
91 2HD ARG 9 1HD ARG 9 -4.588 13.838 1.329
92 HE ARG 9 HE ARG 9 -2.588 13.971 3.386
93 1HH1 ARG 9 1HH1 ARG 9 -5.603 12.494 2.430
94 2HH1 ARG 9 2HH1 ARG 9 -6.099 12.162 4.056
95 1HH2 ARG 9 1HH2 ARG 9 -3.238 13.532 5.524
96 2HH2 ARG 9 2HH2 ARG 9 -4.758 12.752 5.811
97 H GLY 10 H GLY 10 -1.131 8.769 -0.383
98 1HA GLY 10 2HA GLY 10 0.523 9.548 1.896
99 2HA GLY 10 1HA GLY 10 -0.132 7.943 1.586
100 H ILE 11 H ILE 11 0.949 6.540 0.225
101 HA ILE 11 HA ILE 11 2.815 7.065 -1.660
102 HB ILE 11 HB ILE 11 4.021 8.199 0.278
103 1HG1 ILE 11 2HG1 ILE 11 5.372 8.128 -1.541
104 2HG1 ILE 11 1HG1 ILE 11 6.264 6.986 -0.540
105 1HG2 ILE 11 1HG2 ILE 11 3.914 6.652 2.038
106 2HG2 ILE 11 2HG2 ILE 11 5.597 6.704 1.523
107 3HG2 ILE 11 3HG2 ILE 11 4.574 5.359 1.042
108 1HD1 ILE 11 1HD1 ILE 11 5.932 6.213 -2.856
109 2HD1 ILE 11 2HD1 ILE 11 4.186 6.218 -2.572
110 3HD1 ILE 11 3HD1 ILE 11 5.228 5.137 -1.649
111 H TYR 12 H TYR 12 1.120 5.169 -1.688
112 HA TYR 12 HA TYR 12 0.670 2.941 -1.837
113 1HB TYR 12 2HB TYR 12 3.498 3.255 -2.742
114 2HB TYR 12 1HB TYR 12 2.730 1.672 -2.782
115 HD1 TYR 12 1HD TYR 12 3.678 2.509 -5.257
116 HD2 TYR 12 2HD TYR 12 0.067 3.731 -3.362
117 HE1 TYR 12 1HE TYR 12 2.717 3.054 -7.451
118 HE2 TYR 12 2HE TYR 12 -0.901 4.277 -5.554
119 HH TYR 12 HH TYR 12 0.199 4.955 -7.934
120 H TYR 13 H TYR 13 4.017 2.692 -0.647
121 HA TYR 13 HA TYR 13 4.795 1.960 1.394
122 1HB TYR 13 2HB TYR 13 2.221 0.594 2.108
123 2HB TYR 13 1HB TYR 13 3.464 1.254 3.167
124 HD1 TYR 13 1HD TYR 13 0.435 1.770 3.330
125 HD2 TYR 13 2HD TYR 13 3.625 3.865 1.478
126 HE1 TYR 13 1HE TYR 13 -0.860 3.857 3.455
127 HE2 TYR 13 2HE TYR 13 2.361 5.919 1.560
128 HH TYR 13 HH TYR 13 -0.454 6.272 3.465
129 H ARG 14 H ARG 14 6.033 0.241 1.648
130 HA ARG 14 HA ARG 14 7.097 -1.669 0.958
131 1HB ARG 14 2HB ARG 14 5.864 -2.359 2.914
132 2HB ARG 14 1HB ARG 14 4.430 -2.674 1.950
133 1HG ARG 14 2HG ARG 14 5.095 -4.745 1.544
134 2HG ARG 14 1HG ARG 14 6.641 -4.172 0.912
135 1HD ARG 14 2HD ARG 14 7.483 -4.014 3.232
136 2HD ARG 14 1HD ARG 14 5.960 -4.694 3.802
137 HE ARG 14 HE ARG 14 7.128 -6.390 1.865
138 1HH1 ARG 14 1HH1 ARG 14 7.492 -5.381 5.187
139 2HH1 ARG 14 2HH1 ARG 14 8.240 -6.862 5.686
140 1HH2 ARG 14 1HH2 ARG 14 8.110 -8.336 2.517
141 2HH2 ARG 14 2HH2 ARG 14 8.593 -8.541 4.168
142 H ARG 15 H ARG 15 3.936 -2.982 0.132
143 HA ARG 15 HA ARG 15 4.832 -4.126 -2.266
144 1HB ARG 15 2HB ARG 15 1.980 -3.477 -1.567
145 2HB ARG 15 1HB ARG 15 2.545 -4.734 -2.652
146 1HG ARG 15 2HG ARG 15 3.348 -6.046 -0.872
147 2HG ARG 15 1HG ARG 15 3.208 -4.709 0.274
148 1HD ARG 15 2HD ARG 15 1.036 -6.357 -0.972
149 2HD ARG 15 1HD ARG 15 1.363 -6.074 0.735
150 HE ARG 15 HE ARG 15 0.201 -4.090 0.609
151 1HH1 ARG 15 1HH1 ARG 15 0.702 -5.338 -2.611
152 2HH1 ARG 15 2HH1 ARG 15 -0.416 -4.240 -3.347
153 1HH2 ARG 15 1HH2 ARG 15 -1.287 -2.655 -0.363
154 2HH2 ARG 15 2HH2 ARG 15 -1.541 -2.719 -2.074
155 H TYR 16 H TYR 16 2.033 -2.956 -3.421
156 HA TYR 16 HA TYR 16 2.837 -0.348 -4.292
157 1HB TYR 16 2HB TYR 16 3.534 -0.751 -6.449
158 2HB TYR 16 1HB TYR 16 4.167 -2.180 -5.643
159 HD1 TYR 16 1HD TYR 16 1.500 -3.665 -5.405
160 HD2 TYR 16 2HD TYR 16 3.361 -1.625 -8.643
161 HE1 TYR 16 1HE TYR 16 0.283 -5.088 -6.997
162 HE2 TYR 16 2HE TYR 16 2.151 -3.046 -10.242
163 HH TYR 16 HH TYR 16 -0.475 -4.922 -9.411
164 H ARG 17 H ARG 17 1.376 -0.261 -6.693
165 HA ARG 17 HA ARG 17 -0.725 0.112 -7.462
166 1HB ARG 17 2HB ARG 17 -0.722 -2.431 -7.213
167 2HB ARG 17 1HB ARG 17 -1.613 -2.180 -5.719
168 1HG ARG 17 2HG ARG 17 -3.037 -2.711 -7.679
169 2HG ARG 17 1HG ARG 17 -3.443 -1.191 -6.881
170 1HD ARG 17 2HD ARG 17 -3.442 -1.076 -9.372
171 2HD ARG 17 1HD ARG 17 -2.362 0.078 -8.592
172 HE ARG 17 HE ARG 17 -0.568 -0.997 -9.537
173 1HH1 ARG 17 1HH1 ARG 17 -3.417 -2.980 -9.904
174 2HH1 ARG 17 2HH1 ARG 17 -2.657 -4.087 -10.996
175 1HH2 ARG 17 1HH2 ARG 17 0.430 -2.452 -10.976
176 2HH2 ARG 17 2HH2 ARG 17 -0.474 -3.790 -11.604
Start of MODEL 16
1 1H LYS 1 1HT LYS 1 -1.924 -9.669 4.816
2 2H LYS 1 2HT LYS 1 -2.574 -10.560 6.132
3 3H LYS 1 3HT LYS 1 -1.728 -9.096 6.419
4 HA LYS 1 HA LYS 1 -4.214 -9.306 4.867
5 1HB LYS 1 2HB LYS 1 -4.951 -8.042 7.116
6 2HB LYS 1 1HB LYS 1 -5.064 -9.786 6.929
7 1HG LYS 1 2HG LYS 1 -4.103 -9.315 9.061
8 2HG LYS 1 1HG LYS 1 -2.845 -9.991 8.027
9 1HD LYS 1 2HD LYS 1 -2.248 -7.542 7.506
10 2HD LYS 1 1HD LYS 1 -3.222 -7.152 8.924
11 1HE LYS 1 2HE LYS 1 -1.455 -7.579 10.202
12 2HE LYS 1 1HE LYS 1 -1.528 -9.263 9.686
13 1HZ LYS 1 1HZ LYS 1 0.144 -8.978 8.198
14 2HZ LYS 1 2HZ LYS 1 0.604 -7.790 9.310
15 3HZ LYS 1 3HZ LYS 1 -0.221 -7.353 7.900
16 H TRP 2 H TRP 2 -2.697 -7.955 3.484
17 HA TRP 2 HA TRP 2 -1.984 -5.352 4.329
18 1HB TRP 2 2HB TRP 2 -1.193 -5.127 2.123
19 2HB TRP 2 1HB TRP 2 -1.018 -6.839 2.486
20 HD1 TRP 2 HD TRP 2 -4.287 -7.313 1.946
21 HE1 TRP 2 1HE TRP 2 -4.976 -7.512 -0.510
22 HE3 TRP 2 3HE TRP 2 -0.229 -5.184 -0.165
23 HZ2 TRP 2 2HZ TRP 2 -3.923 -6.843 -3.066
24 HZ3 TRP 2 3HZ TRP 2 -0.108 -4.970 -2.627
25 HH2 TRP 2 HH TRP 2 -1.923 -5.794 -4.046
26 H TYR 3 H TYR 3 -2.866 -4.053 1.847
27 HA TYR 3 HA TYR 3 -5.688 -3.549 2.500
28 1HB TYR 3 2HB TYR 3 -5.029 -1.259 1.314
29 2HB TYR 3 1HB TYR 3 -4.820 -1.507 3.044
30 HD1 TYR 3 1HD TYR 3 -3.267 -0.353 0.146
31 HD2 TYR 3 2HD TYR 3 -2.442 -2.584 3.672
32 HE1 TYR 3 1HE TYR 3 -0.875 0.157 -0.099
33 HE2 TYR 3 2HE TYR 3 -0.048 -2.081 3.438
34 HH TYR 3 HH TYR 3 1.263 -0.698 0.586
35 H PHE 4 H PHE 4 -3.720 -2.462 -0.179
36 HA PHE 4 HA PHE 4 -4.226 -4.105 -2.240
37 1HB PHE 4 2HB PHE 4 -6.297 -3.387 -3.304
38 2HB PHE 4 1HB PHE 4 -6.665 -3.946 -1.679
39 HD1 PHE 4 1HD PHE 4 -6.517 -1.945 0.154
40 HD2 PHE 4 2HD PHE 4 -7.319 -1.471 -3.999
41 HE1 PHE 4 1HE PHE 4 -7.609 0.171 0.629
42 HE2 PHE 4 2HE PHE 4 -8.399 0.687 -3.540
43 HZ PHE 4 HZ PHE 4 -8.558 1.515 -1.219
44 H ARG 5 H ARG 5 -4.821 -0.769 -1.336
45 HA ARG 5 HA ARG 5 -2.775 0.237 -3.121
46 1HB ARG 5 2HB ARG 5 -5.707 0.736 -3.451
47 2HB ARG 5 1HB ARG 5 -4.598 2.069 -3.728
48 1HG ARG 5 2HG ARG 5 -4.896 1.206 -5.836
49 2HG ARG 5 1HG ARG 5 -3.396 0.427 -5.323
50 1HD ARG 5 2HD ARG 5 -5.396 -1.284 -4.446
51 2HD ARG 5 1HD ARG 5 -5.964 -0.731 -6.018
52 HE ARG 5 HE ARG 5 -3.271 -1.464 -6.249
53 1HH1 ARG 5 1HH1 ARG 5 -6.386 -2.935 -5.689
54 2HH1 ARG 5 2HH1 ARG 5 -5.939 -4.447 -6.403
55 1HH2 ARG 5 1HH2 ARG 5 -2.681 -3.453 -7.188
56 2HH2 ARG 5 2HH2 ARG 5 -3.835 -4.743 -7.253
57 H VAL 6 H VAL 6 -5.616 1.541 -1.479
58 HA VAL 6 HA VAL 6 -5.889 3.174 0.051
59 HB VAL 6 HB VAL 6 -3.638 1.544 1.181
60 1HG1 VAL 6 1HG1 VAL 6 -4.962 3.835 2.637
61 2HG1 VAL 6 2HG1 VAL 6 -3.306 3.853 2.034
62 3HG1 VAL 6 3HG1 VAL 6 -3.771 2.717 3.294
63 1HG2 VAL 6 1HG2 VAL 6 -6.538 1.926 1.871
64 2HG2 VAL 6 2HG2 VAL 6 -5.408 0.984 2.842
65 3HG2 VAL 6 3HG2 VAL 6 -5.766 0.497 1.187
66 H TYR 7 H TYR 7 -2.408 3.188 0.386
67 HA TYR 7 HA TYR 7 -0.937 4.945 0.300
68 1HB TYR 7 2HB TYR 7 -0.380 4.797 -1.854
69 2HB TYR 7 1HB TYR 7 -2.002 4.281 -2.260
70 HD1 TYR 7 1HD TYR 7 0.416 6.967 -2.428
71 HD2 TYR 7 2HD TYR 7 -3.719 5.983 -2.884
72 HE1 TYR 7 1HE TYR 7 0.072 9.025 -3.736
73 HE2 TYR 7 2HE TYR 7 -4.054 8.043 -4.204
74 HH TYR 7 HH TYR 7 -1.904 9.666 -5.682
75 H TYR 8 H TYR 8 -3.829 6.228 -1.219
76 HA TYR 8 HA TYR 8 -4.807 8.294 -1.189
77 1HB TYR 8 2HB TYR 8 -5.736 8.806 1.008
78 2HB TYR 8 1HB TYR 8 -5.816 7.077 0.670
79 HD1 TYR 8 1HD TYR 8 -4.432 5.515 1.889
80 HD2 TYR 8 2HD TYR 8 -4.255 9.667 2.744
81 HE1 TYR 8 1HE TYR 8 -3.246 5.019 3.984
82 HE2 TYR 8 2HE TYR 8 -3.070 9.205 4.831
83 HH TYR 8 HH TYR 8 -1.507 7.104 5.641
84 H ARG 9 H ARG 9 -3.143 9.631 -2.016
85 HA ARG 9 HA ARG 9 -1.488 11.214 -1.986
86 1HB ARG 9 2HB ARG 9 -2.179 13.186 -0.984
87 2HB ARG 9 1HB ARG 9 -3.691 12.297 -1.064
88 1HG ARG 9 2HG ARG 9 -3.026 11.532 1.358
89 2HG ARG 9 1HG ARG 9 -2.007 12.971 1.304
90 1HD ARG 9 2HD ARG 9 -3.858 14.006 2.050
91 2HD ARG 9 1HD ARG 9 -4.327 13.973 0.350
92 HE ARG 9 HE ARG 9 -5.960 12.451 0.865
93 1HH1 ARG 9 1HH1 ARG 9 -3.718 12.649 3.532
94 2HH1 ARG 9 2HH1 ARG 9 -4.691 11.679 4.586
95 1HH2 ARG 9 1HH2 ARG 9 -7.241 11.173 2.250
96 2HH2 ARG 9 2HH2 ARG 9 -6.690 10.840 3.859
97 H GLY 10 H GLY 10 -1.063 8.798 -0.416
98 1HA GLY 10 2HA GLY 10 0.627 9.803 1.743
99 2HA GLY 10 1HA GLY 10 -0.008 8.172 1.607
100 H ILE 11 H ILE 11 1.028 6.666 0.291
101 HA ILE 11 HA ILE 11 2.890 7.116 -1.636
102 HB ILE 11 HB ILE 11 4.108 8.283 0.281
103 1HG1 ILE 11 2HG1 ILE 11 5.393 8.150 -1.596
104 2HG1 ILE 11 1HG1 ILE 11 6.339 7.105 -0.539
105 1HG2 ILE 11 1HG2 ILE 11 4.017 6.763 2.066
106 2HG2 ILE 11 2HG2 ILE 11 5.691 6.791 1.525
107 3HG2 ILE 11 3HG2 ILE 11 4.648 5.450 1.079
108 1HD1 ILE 11 1HD1 ILE 11 5.307 5.155 -1.501
109 2HD1 ILE 11 2HD1 ILE 11 6.024 6.149 -2.771
110 3HD1 ILE 11 3HD1 ILE 11 4.274 6.163 -2.511
111 H TYR 12 H TYR 12 1.181 5.244 -1.642
112 HA TYR 12 HA TYR 12 0.694 3.028 -1.733
113 1HB TYR 12 2HB TYR 12 3.529 3.204 -2.641
114 2HB TYR 12 1HB TYR 12 2.597 1.718 -2.783
115 HD1 TYR 12 1HD TYR 12 3.882 3.461 -5.000
116 HD2 TYR 12 2HD TYR 12 -0.065 3.227 -3.427
117 HE1 TYR 12 1HE TYR 12 2.985 4.263 -7.144
118 HE2 TYR 12 2HE TYR 12 -0.969 4.030 -5.563
119 HH TYR 12 HH TYR 12 -0.057 5.446 -7.536
120 H TYR 13 H TYR 13 4.010 2.715 -0.612
121 HA TYR 13 HA TYR 13 4.846 1.806 1.270
122 1HB TYR 13 2HB TYR 13 2.332 0.698 2.373
123 2HB TYR 13 1HB TYR 13 3.653 1.512 3.196
124 HD1 TYR 13 1HD TYR 13 3.756 4.022 1.679
125 HD2 TYR 13 2HD TYR 13 0.418 1.843 3.135
126 HE1 TYR 13 1HE TYR 13 2.444 6.074 1.670
127 HE2 TYR 13 2HE TYR 13 -0.917 3.907 3.174
128 HH TYR 13 HH TYR 13 -0.952 6.090 2.128
129 H ARG 14 H ARG 14 5.336 -0.354 2.105
130 HA ARG 14 HA ARG 14 5.565 -2.249 0.109
131 1HB ARG 14 2HB ARG 14 6.713 -2.055 2.446
132 2HB ARG 14 1HB ARG 14 5.405 -3.100 2.977
133 1HG ARG 14 2HG ARG 14 7.190 -4.533 2.487
134 2HG ARG 14 1HG ARG 14 6.093 -4.673 1.113
135 1HD ARG 14 2HD ARG 14 7.559 -2.810 0.067
136 2HD ARG 14 1HD ARG 14 8.741 -3.287 1.285
137 HE ARG 14 HE ARG 14 9.128 -5.223 0.117
138 1HH1 ARG 14 1HH1 ARG 14 6.239 -3.703 -1.112
139 2HH1 ARG 14 2HH1 ARG 14 6.109 -4.765 -2.473
140 1HH2 ARG 14 1HH2 ARG 14 8.962 -6.621 -1.672
141 2HH2 ARG 14 2HH2 ARG 14 7.653 -6.422 -2.791
142 H ARG 15 H ARG 15 4.606 -4.347 -0.155
143 HA ARG 15 HA ARG 15 1.810 -4.294 -0.284
144 1HB ARG 15 2HB ARG 15 3.853 -6.475 -0.565
145 2HB ARG 15 1HB ARG 15 2.136 -6.849 -0.620
146 1HG ARG 15 2HG ARG 15 1.877 -5.267 -2.489
147 2HG ARG 15 1HG ARG 15 3.618 -4.979 -2.457
148 1HD ARG 15 2HD ARG 15 3.923 -7.450 -2.807
149 2HD ARG 15 1HD ARG 15 2.186 -7.553 -3.087
150 HE ARG 15 HE ARG 15 3.266 -5.577 -4.765
151 1HH1 ARG 15 1HH1 ARG 15 3.290 -9.043 -4.357
152 2HH1 ARG 15 2HH1 ARG 15 3.553 -9.364 -6.037
153 1HH2 ARG 15 1HH2 ARG 15 3.612 -5.999 -6.975
154 2HH2 ARG 15 2HH2 ARG 15 3.736 -7.636 -7.524
155 H TYR 16 H TYR 16 3.985 -5.465 2.192
156 HA TYR 16 HA TYR 16 1.700 -6.512 3.708
157 1HB TYR 16 2HB TYR 16 3.110 -7.974 4.778
158 2HB TYR 16 1HB TYR 16 3.951 -7.812 3.244
159 HD1 TYR 16 1HD TYR 16 4.760 -8.400 6.351
160 HD2 TYR 16 2HD TYR 16 5.330 -5.229 3.573
161 HE1 TYR 16 1HE TYR 16 6.796 -7.722 7.552
162 HE2 TYR 16 2HE TYR 16 7.365 -4.542 4.766
163 HH TYR 16 HH TYR 16 8.195 -5.773 7.849
164 H ARG 17 H ARG 17 3.596 -3.761 3.469
165 HA ARG 17 HA ARG 17 3.313 -3.087 6.306
166 1HB ARG 17 2HB ARG 17 5.519 -2.739 5.228
167 2HB ARG 17 1HB ARG 17 4.774 -1.593 4.122
168 1HG ARG 17 2HG ARG 17 4.014 -0.527 6.467
169 2HG ARG 17 1HG ARG 17 5.538 -1.277 6.946
170 1HD ARG 17 2HD ARG 17 6.500 -0.139 4.841
171 2HD ARG 17 1HD ARG 17 5.043 0.854 4.895
172 HE ARG 17 HE ARG 17 7.325 1.057 6.600
173 1HH1 ARG 17 1HH1 ARG 17 3.871 1.534 6.464
174 2HH1 ARG 17 2HH1 ARG 17 3.861 2.733 7.714
175 1HH2 ARG 17 1HH2 ARG 17 7.316 2.631 8.246
176 2HH2 ARG 17 2HH2 ARG 17 5.817 3.355 8.726
Start of MODEL 17
1 1H LYS 1 1HT LYS 1 -2.162 -10.876 1.881
2 2H LYS 1 2HT LYS 1 -0.715 -10.756 2.796
3 3H LYS 1 3HT LYS 1 -0.876 -11.975 1.599
4 HA LYS 1 HA LYS 1 0.503 -10.240 0.808
5 1HB LYS 1 2HB LYS 1 -2.237 -10.624 -0.356
6 2HB LYS 1 1HB LYS 1 -1.094 -9.546 -1.144
7 1HG LYS 1 2HG LYS 1 -0.543 -12.439 -0.523
8 2HG LYS 1 1HG LYS 1 -1.127 -11.841 -2.076
9 1HD LYS 1 2HD LYS 1 1.379 -10.759 -0.825
10 2HD LYS 1 1HD LYS 1 1.399 -12.229 -1.800
11 1HE LYS 1 2HE LYS 1 1.022 -11.111 -3.736
12 2HE LYS 1 1HE LYS 1 0.011 -9.893 -2.960
13 1HZ LYS 1 1HZ LYS 1 2.885 -9.923 -2.370
14 2HZ LYS 1 2HZ LYS 1 1.807 -8.620 -2.405
15 3HZ LYS 1 3HZ LYS 1 2.369 -9.291 -3.853
16 H TRP 2 H TRP 2 -0.111 -8.003 -0.537
17 HA TRP 2 HA TRP 2 -0.118 -6.001 1.395
18 1HB TRP 2 2HB TRP 2 -0.030 -4.521 -0.453
19 2HB TRP 2 1HB TRP 2 0.765 -5.997 -0.994
20 HD1 TRP 2 HD TRP 2 -2.241 -7.457 -1.465
21 HE1 TRP 2 1HE TRP 2 -3.458 -6.844 -3.650
22 HE3 TRP 2 3HE TRP 2 0.274 -3.219 -2.564
23 HZ2 TRP 2 2HZ TRP 2 -3.344 -4.789 -5.608
24 HZ3 TRP 2 3HZ TRP 2 -0.319 -1.949 -4.604
25 HH2 TRP 2 HH TRP 2 -2.089 -2.730 -6.098
26 H TYR 3 H TYR 3 -1.901 -4.136 -0.007
27 HA TYR 3 HA TYR 3 -4.515 -5.087 0.942
28 1HB TYR 3 2HB TYR 3 -4.340 -2.211 0.932
29 2HB TYR 3 1HB TYR 3 -4.744 -3.295 2.254
30 HD1 TYR 3 1HD TYR 3 -3.314 -3.464 4.077
31 HD2 TYR 3 2HD TYR 3 -1.812 -1.920 0.410
32 HE1 TYR 3 1HE TYR 3 -1.195 -2.901 5.190
33 HE2 TYR 3 2HE TYR 3 0.313 -1.354 1.509
34 HH TYR 3 HH TYR 3 0.709 -1.150 4.745
35 H PHE 4 H PHE 4 -3.576 -2.181 -0.776
36 HA PHE 4 HA PHE 4 -4.058 -2.661 -3.380
37 1HB PHE 4 2HB PHE 4 -6.439 -2.259 -3.790
38 2HB PHE 4 1HB PHE 4 -6.248 -3.661 -2.753
39 HD1 PHE 4 1HD PHE 4 -5.919 -2.569 -0.105
40 HD2 PHE 4 2HD PHE 4 -8.415 -1.216 -3.268
41 HE1 PHE 4 1HE PHE 4 -7.397 -1.567 1.531
42 HE2 PHE 4 2HE PHE 4 -9.926 -0.188 -1.626
43 HZ PHE 4 HZ PHE 4 -9.432 -0.368 0.787
44 H ARG 5 H ARG 5 -6.268 -0.418 -3.479
45 HA ARG 5 HA ARG 5 -4.405 1.756 -3.511
46 1HB ARG 5 2HB ARG 5 -7.327 2.306 -3.622
47 2HB ARG 5 1HB ARG 5 -6.028 2.958 -4.608
48 1HG ARG 5 2HG ARG 5 -7.375 0.282 -4.882
49 2HG ARG 5 1HG ARG 5 -7.436 1.644 -6.002
50 1HD ARG 5 2HD ARG 5 -5.511 1.065 -6.979
51 2HD ARG 5 1HD ARG 5 -4.716 0.774 -5.434
52 HE ARG 5 HE ARG 5 -6.475 -1.337 -5.889
53 1HH1 ARG 5 1HH1 ARG 5 -3.569 -0.006 -7.290
54 2HH1 ARG 5 2HH1 ARG 5 -3.016 -1.530 -7.899
55 1HH2 ARG 5 1HH2 ARG 5 -5.749 -3.339 -6.690
56 2HH2 ARG 5 2HH2 ARG 5 -4.254 -3.423 -7.559
57 H VAL 6 H VAL 6 -3.779 1.573 -1.252
58 HA VAL 6 HA VAL 6 -5.666 2.988 0.510
59 HB VAL 6 HB VAL 6 -3.589 1.018 1.436
60 1HG1 VAL 6 1HG1 VAL 6 -5.360 1.032 3.405
61 2HG1 VAL 6 2HG1 VAL 6 -5.723 2.628 2.750
62 3HG1 VAL 6 3HG1 VAL 6 -4.090 2.251 3.301
63 1HG2 VAL 6 1HG2 VAL 6 -4.976 -0.412 0.304
64 2HG2 VAL 6 2HG2 VAL 6 -6.405 0.585 0.577
65 3HG2 VAL 6 3HG2 VAL 6 -5.744 -0.386 1.894
66 H TYR 7 H TYR 7 -3.138 3.612 -1.213
67 HA TYR 7 HA TYR 7 -1.439 4.711 0.849
68 1HB TYR 7 2HB TYR 7 0.174 4.781 -0.748
69 2HB TYR 7 1HB TYR 7 -0.862 3.552 -1.463
70 HD1 TYR 7 1HD TYR 7 1.131 6.003 -2.458
71 HD2 TYR 7 2HD TYR 7 -3.039 5.069 -2.666
72 HE1 TYR 7 1HE TYR 7 0.922 7.394 -4.483
73 HE2 TYR 7 2HE TYR 7 -3.232 6.441 -4.706
74 HH TYR 7 HH TYR 7 -1.813 7.300 -6.503
75 H TYR 8 H TYR 8 -3.800 5.692 -1.451
76 HA TYR 8 HA TYR 8 -4.410 7.773 -2.251
77 1HB TYR 8 2HB TYR 8 -5.420 8.961 -0.140
78 2HB TYR 8 1HB TYR 8 -6.040 7.417 -0.713
79 HD1 TYR 8 1HD TYR 8 -6.280 5.665 0.756
80 HD2 TYR 8 2HD TYR 8 -3.540 8.772 1.724
81 HE1 TYR 8 1HE TYR 8 -5.867 4.613 2.940
82 HE2 TYR 8 2HE TYR 8 -3.123 7.736 3.908
83 HH TYR 8 HH TYR 8 -4.331 6.190 5.475
84 H ARG 9 H ARG 9 -4.006 9.866 0.303
85 HA ARG 9 HA ARG 9 -1.844 11.208 -1.037
86 1HB ARG 9 2HB ARG 9 -2.019 12.823 0.874
87 2HB ARG 9 1HB ARG 9 -3.523 12.588 -0.001
88 1HG ARG 9 2HG ARG 9 -3.552 10.694 2.054
89 2HG ARG 9 1HG ARG 9 -2.944 12.183 2.780
90 1HD ARG 9 2HD ARG 9 -5.135 12.655 3.005
91 2HD ARG 9 1HD ARG 9 -4.988 13.165 1.327
92 HE ARG 9 HE ARG 9 -6.196 10.680 2.296
93 1HH1 ARG 9 1HH1 ARG 9 -5.438 12.801 -0.381
94 2HH1 ARG 9 2HH1 ARG 9 -6.524 12.009 -1.469
95 1HH2 ARG 9 1HH2 ARG 9 -7.615 9.644 0.857
96 2HH2 ARG 9 2HH2 ARG 9 -7.757 10.220 -0.770
97 H GLY 10 H GLY 10 -0.788 8.880 -0.609
98 1HA GLY 10 2HA GLY 10 0.966 9.222 1.728
99 2HA GLY 10 1HA GLY 10 0.272 7.663 1.330
100 H ILE 11 H ILE 11 1.121 6.453 -0.446
101 HA ILE 11 HA ILE 11 2.916 7.324 -2.354
102 HB ILE 11 HB ILE 11 4.454 8.145 -0.795
103 1HG1 ILE 11 2HG1 ILE 11 5.438 6.534 -2.499
104 2HG1 ILE 11 1HG1 ILE 11 6.432 6.855 -1.077
105 1HG2 ILE 11 1HG2 ILE 11 3.541 5.927 0.848
106 2HG2 ILE 11 2HG2 ILE 11 3.982 7.569 1.304
107 3HG2 ILE 11 3HG2 ILE 11 5.236 6.358 1.039
108 1HD1 ILE 11 1HD1 ILE 11 5.590 4.382 -2.060
109 2HD1 ILE 11 2HD1 ILE 11 4.673 4.666 -0.577
110 3HD1 ILE 11 3HD1 ILE 11 6.444 4.709 -0.548
111 H TYR 12 H TYR 12 1.917 4.746 -0.316
112 HA TYR 12 HA TYR 12 1.272 2.669 -1.403
113 1HB TYR 12 2HB TYR 12 4.063 3.004 -2.401
114 2HB TYR 12 1HB TYR 12 3.298 1.414 -2.372
115 HD1 TYR 12 1HD TYR 12 0.914 3.872 -2.693
116 HD2 TYR 12 2HD TYR 12 3.773 1.783 -5.015
117 HE1 TYR 12 1HE TYR 12 -0.313 4.477 -4.639
118 HE2 TYR 12 2HE TYR 12 2.527 2.383 -7.062
119 HH TYR 12 HH TYR 12 0.932 3.992 -7.845
120 H TYR 13 H TYR 13 4.276 3.481 0.239
121 HA TYR 13 HA TYR 13 4.993 2.927 2.311
122 1HB TYR 13 2HB TYR 13 2.688 1.028 2.651
123 2HB TYR 13 1HB TYR 13 3.533 1.980 3.874
124 HD1 TYR 13 1HD TYR 13 0.468 1.880 3.402
125 HD2 TYR 13 2HD TYR 13 3.519 4.539 1.999
126 HE1 TYR 13 1HE TYR 13 -1.180 3.682 3.178
127 HE2 TYR 13 2HE TYR 13 1.880 6.303 1.767
128 HH TYR 13 HH TYR 13 -1.561 5.778 2.541
129 H ARG 14 H ARG 14 3.593 -0.040 0.846
130 HA ARG 14 HA ARG 14 6.240 -1.176 0.653
131 1HB ARG 14 2HB ARG 14 5.000 -1.587 3.037
132 2HB ARG 14 1HB ARG 14 4.436 -2.983 2.128
133 1HG ARG 14 2HG ARG 14 6.468 -3.447 3.425
134 2HG ARG 14 1HG ARG 14 6.706 -3.672 1.691
135 1HD ARG 14 2HD ARG 14 7.905 -1.639 1.501
136 2HD ARG 14 1HD ARG 14 7.422 -1.121 3.115
137 HE ARG 14 HE ARG 14 9.634 -2.784 2.438
138 1HH1 ARG 14 1HH1 ARG 14 7.247 -2.190 4.912
139 2HH1 ARG 14 2HH1 ARG 14 8.230 -2.824 6.189
140 1HH2 ARG 14 1HH2 ARG 14 10.926 -3.624 4.114
141 2HH2 ARG 14 2HH2 ARG 14 10.319 -3.639 5.736
142 H ARG 15 H ARG 15 2.817 -2.182 0.704
143 HA ARG 15 HA ARG 15 1.515 -3.102 -0.934
144 1HB ARG 15 2HB ARG 15 3.842 -3.115 -2.838
145 2HB ARG 15 1HB ARG 15 2.126 -3.019 -3.203
146 1HG ARG 15 2HG ARG 15 3.062 -0.786 -1.589
147 2HG ARG 15 1HG ARG 15 3.891 -0.918 -3.140
148 1HD ARG 15 2HD ARG 15 2.106 0.315 -3.810
149 2HD ARG 15 1HD ARG 15 1.401 -1.289 -3.990
150 HE ARG 15 HE ARG 15 0.776 -0.625 -1.445
151 1HH1 ARG 15 1HH1 ARG 15 0.355 0.998 -4.506
152 2HH1 ARG 15 2HH1 ARG 15 -1.076 1.835 -4.006
153 1HH2 ARG 15 1HH2 ARG 15 -1.105 0.474 -0.787
154 2HH2 ARG 15 2HH2 ARG 15 -1.904 1.539 -1.895
155 H TYR 16 H TYR 16 3.596 -4.544 0.819
156 HA TYR 16 HA TYR 16 3.336 -7.124 -0.565
157 1HB TYR 16 2HB TYR 16 5.524 -7.684 -0.309
158 2HB TYR 16 1HB TYR 16 5.736 -5.939 -0.328
159 HD1 TYR 16 1HD TYR 16 6.956 -8.688 1.180
160 HD2 TYR 16 2HD TYR 16 5.133 -5.004 2.271
161 HE1 TYR 16 1HE TYR 16 8.044 -8.810 3.382
162 HE2 TYR 16 2HE TYR 16 6.214 -5.113 4.473
163 HH TYR 16 HH TYR 16 8.736 -7.218 5.185
164 H ARG 17 H ARG 17 3.192 -5.322 2.399
165 HA ARG 17 HA ARG 17 2.651 -7.728 3.963
166 1HB ARG 17 2HB ARG 17 4.074 -5.592 4.659
167 2HB ARG 17 1HB ARG 17 2.494 -4.996 5.146
168 1HG ARG 17 2HG ARG 17 2.704 -6.096 7.052
169 2HG ARG 17 1HG ARG 17 2.688 -7.611 6.150
170 1HD ARG 17 2HD ARG 17 4.718 -7.895 7.083
171 2HD ARG 17 1HD ARG 17 5.249 -6.843 5.773
172 HE ARG 17 HE ARG 17 4.490 -5.225 7.914
173 1HH1 ARG 17 1HH1 ARG 17 6.945 -7.586 7.150
174 2HH1 ARG 17 2HH1 ARG 17 8.118 -6.895 8.219
175 1HH2 ARG 17 1HH2 ARG 17 6.034 -4.313 9.317
176 2HH2 ARG 17 2HH2 ARG 17 7.602 -5.036 9.449
Start of MODEL 18
1 1H LYS 1 1HT LYS 1 4.016 -9.910 -4.620
2 2H LYS 1 2HT LYS 1 4.786 -10.696 -3.305
3 3H LYS 1 3HT LYS 1 5.492 -9.297 -4.003
4 HA LYS 1 HA LYS 1 2.818 -9.250 -2.813
5 1HB LYS 1 2HB LYS 1 3.879 -8.516 -0.721
6 2HB LYS 1 1HB LYS 1 4.355 -10.154 -1.140
7 1HG LYS 1 2HG LYS 1 6.404 -8.979 -2.242
8 2HG LYS 1 1HG LYS 1 5.967 -7.648 -1.169
9 1HD LYS 1 2HD LYS 1 6.394 -8.881 0.747
10 2HD LYS 1 1HD LYS 1 6.212 -10.426 -0.087
11 1HE LYS 1 2HE LYS 1 8.572 -9.763 0.557
12 2HE LYS 1 1HE LYS 1 8.318 -10.232 -1.123
13 1HZ LYS 1 1HZ LYS 1 8.535 -8.070 -1.850
14 2HZ LYS 1 2HZ LYS 1 9.673 -8.124 -0.599
15 3HZ LYS 1 3HZ LYS 1 8.168 -7.398 -0.342
16 H TRP 2 H TRP 2 2.823 -7.821 -4.871
17 HA TRP 2 HA TRP 2 4.261 -5.398 -4.844
18 1HB TRP 2 2HB TRP 2 3.248 -5.090 -6.872
19 2HB TRP 2 1HB TRP 2 2.982 -6.822 -6.702
20 HD1 TRP 2 HD TRP 2 0.429 -7.370 -5.431
21 HE1 TRP 2 1HE TRP 2 -1.789 -6.201 -5.998
22 HE3 TRP 2 3HE TRP 2 2.313 -3.308 -7.643
23 HZ2 TRP 2 2HZ TRP 2 -2.637 -3.814 -7.315
24 HZ3 TRP 2 3HZ TRP 2 0.780 -1.572 -8.567
25 HH2 TRP 2 HH TRP 2 -1.649 -1.830 -8.396
26 H TYR 3 H TYR 3 2.216 -3.483 -5.384
27 HA TYR 3 HA TYR 3 1.004 -3.307 -2.723
28 1HB TYR 3 2HB TYR 3 1.146 -0.863 -2.892
29 2HB TYR 3 1HB TYR 3 2.718 -1.617 -3.055
30 HD1 TYR 3 1HD TYR 3 3.969 -0.093 -4.256
31 HD2 TYR 3 2HD TYR 3 0.096 -1.084 -5.697
32 HE1 TYR 3 1HE TYR 3 4.402 1.202 -6.292
33 HE2 TYR 3 2HE TYR 3 0.521 0.204 -7.736
34 HH TYR 3 HH TYR 3 2.340 1.056 -9.035
35 H PHE 4 H PHE 4 -0.408 -0.806 -3.696
36 HA PHE 4 HA PHE 4 -2.267 -1.184 -5.635
37 1HB PHE 4 2HB PHE 4 -4.178 -2.226 -4.626
38 2HB PHE 4 1HB PHE 4 -2.822 -3.310 -4.366
39 HD1 PHE 4 1HD PHE 4 -5.632 -2.552 -2.888
40 HD2 PHE 4 2HD PHE 4 -1.482 -2.134 -2.053
41 HE1 PHE 4 1HE PHE 4 -6.126 -2.542 -0.486
42 HE2 PHE 4 2HE PHE 4 -1.965 -2.135 0.360
43 HZ PHE 4 HZ PHE 4 -4.289 -2.343 1.148
44 H ARG 5 H ARG 5 -4.590 -0.518 -3.711
45 HA ARG 5 HA ARG 5 -4.073 2.307 -3.618
46 1HB ARG 5 2HB ARG 5 -6.444 1.197 -2.221
47 2HB ARG 5 1HB ARG 5 -6.328 2.562 -3.321
48 1HG ARG 5 2HG ARG 5 -5.828 0.412 -4.961
49 2HG ARG 5 1HG ARG 5 -7.037 -0.213 -3.837
50 1HD ARG 5 2HD ARG 5 -7.236 2.060 -5.774
51 2HD ARG 5 1HD ARG 5 -8.329 0.698 -5.540
52 HE ARG 5 HE ARG 5 -8.561 2.007 -3.210
53 1HH1 ARG 5 1HH1 ARG 5 -8.715 3.115 -6.518
54 2HH1 ARG 5 2HH1 ARG 5 -9.807 4.410 -6.163
55 1HH2 ARG 5 1HH2 ARG 5 -10.000 3.710 -2.746
56 2HH2 ARG 5 2HH2 ARG 5 -10.538 4.746 -4.024
57 H VAL 6 H VAL 6 -5.668 2.726 -1.187
58 HA VAL 6 HA VAL 6 -5.528 2.977 1.033
59 HB VAL 6 HB VAL 6 -3.370 0.921 1.003
60 1HG1 VAL 6 1HG1 VAL 6 -4.701 0.547 3.319
61 2HG1 VAL 6 2HG1 VAL 6 -4.913 2.285 3.106
62 3HG1 VAL 6 3HG1 VAL 6 -3.291 1.594 3.158
63 1HG2 VAL 6 1HG2 VAL 6 -5.249 -0.679 1.572
64 2HG2 VAL 6 2HG2 VAL 6 -5.195 -0.105 -0.095
65 3HG2 VAL 6 3HG2 VAL 6 -6.355 0.587 1.038
66 H TYR 7 H TYR 7 -3.347 4.003 -1.041
67 HA TYR 7 HA TYR 7 -1.421 4.868 0.972
68 1HB TYR 7 2HB TYR 7 0.044 5.375 -0.742
69 2HB TYR 7 1HB TYR 7 -0.795 3.963 -1.364
70 HD1 TYR 7 1HD TYR 7 0.724 6.524 -2.623
71 HD2 TYR 7 2HD TYR 7 -3.328 5.207 -2.325
72 HE1 TYR 7 1HE TYR 7 0.167 7.776 -4.672
73 HE2 TYR 7 2HE TYR 7 -3.881 6.453 -4.377
74 HH TYR 7 HH TYR 7 -2.749 8.645 -5.568
75 H TYR 8 H TYR 8 -3.912 6.010 -1.113
76 HA TYR 8 HA TYR 8 -4.775 8.136 -1.527
77 1HB TYR 8 2HB TYR 8 -5.832 8.862 0.673
78 2HB TYR 8 1HB TYR 8 -6.139 7.197 0.165
79 HD1 TYR 8 1HD TYR 8 -4.097 9.279 2.443
80 HD2 TYR 8 2HD TYR 8 -5.424 5.360 1.474
81 HE1 TYR 8 1HE TYR 8 -3.084 8.454 4.496
82 HE2 TYR 8 2HE TYR 8 -4.433 4.498 3.552
83 HH TYR 8 HH TYR 8 -2.187 5.913 5.233
84 H ARG 9 H ARG 9 -3.212 9.643 -2.213
85 HA ARG 9 HA ARG 9 -1.631 11.306 -2.045
86 1HB ARG 9 2HB ARG 9 -2.343 13.135 -0.821
87 2HB ARG 9 1HB ARG 9 -3.832 12.212 -0.928
88 1HG ARG 9 2HG ARG 9 -3.979 12.422 1.282
89 2HG ARG 9 1HG ARG 9 -2.644 11.276 1.408
90 1HD ARG 9 2HD ARG 9 -1.534 13.820 0.844
91 2HD ARG 9 1HD ARG 9 -2.718 14.035 2.132
92 HE ARG 9 HE ARG 9 -1.325 11.896 2.978
93 1HH1 ARG 9 1HH1 ARG 9 -0.328 15.037 1.826
94 2HH1 ARG 9 2HH1 ARG 9 1.116 15.067 2.779
95 1HH2 ARG 9 1HH2 ARG 9 0.574 11.934 4.235
96 2HH2 ARG 9 2HH2 ARG 9 1.628 13.305 4.147
97 H GLY 10 H GLY 10 -1.204 8.700 -0.590
98 1HA GLY 10 2HA GLY 10 0.624 9.583 1.526
99 2HA GLY 10 1HA GLY 10 -0.061 7.974 1.369
100 H ILE 11 H ILE 11 1.016 6.450 0.309
101 HA ILE 11 HA ILE 11 2.725 6.712 -1.812
102 HB ILE 11 HB ILE 11 4.021 8.139 -0.164
103 1HG1 ILE 11 2HG1 ILE 11 5.081 7.508 -2.176
104 2HG1 ILE 11 1HG1 ILE 11 6.233 7.127 -0.896
105 1HG2 ILE 11 1HG2 ILE 11 3.860 6.722 1.807
106 2HG2 ILE 11 2HG2 ILE 11 5.529 7.074 1.383
107 3HG2 ILE 11 3HG2 ILE 11 4.843 5.501 1.004
108 1HD1 ILE 11 1HD1 ILE 11 4.466 5.250 -2.415
109 2HD1 ILE 11 2HD1 ILE 11 5.326 4.798 -0.941
110 3HD1 ILE 11 3HD1 ILE 11 6.234 5.296 -2.375
111 H TYR 12 H TYR 12 1.275 4.817 -1.828
112 HA TYR 12 HA TYR 12 0.740 2.604 -1.411
113 1HB TYR 12 2HB TYR 12 3.440 2.652 -2.708
114 2HB TYR 12 1HB TYR 12 2.440 1.203 -2.614
115 HD1 TYR 12 1HD TYR 12 3.433 3.227 -4.985
116 HD2 TYR 12 2HD TYR 12 -0.244 2.312 -3.053
117 HE1 TYR 12 1HE TYR 12 2.204 3.953 -6.988
118 HE2 TYR 12 2HE TYR 12 -1.486 3.035 -5.040
119 HH TYR 12 HH TYR 12 -0.361 4.898 -7.333
120 H TYR 13 H TYR 13 4.136 2.831 -0.410
121 HA TYR 13 HA TYR 13 4.994 2.321 1.629
122 1HB TYR 13 2HB TYR 13 2.599 0.696 2.420
123 2HB TYR 13 1HB TYR 13 3.753 1.540 3.455
124 HD1 TYR 13 1HD TYR 13 0.543 1.718 3.189
125 HD2 TYR 13 2HD TYR 13 3.824 4.123 1.938
126 HE1 TYR 13 1HE TYR 13 -0.912 3.700 3.157
127 HE2 TYR 13 2HE TYR 13 2.397 6.077 1.864
128 HH TYR 13 HH TYR 13 0.247 6.835 2.999
129 H ARG 14 H ARG 14 5.038 -0.049 3.013
130 HA ARG 14 HA ARG 14 6.851 -1.603 1.775
131 1HB ARG 14 2HB ARG 14 6.276 -3.400 3.301
132 2HB ARG 14 1HB ARG 14 6.162 -1.851 4.125
133 1HG ARG 14 2HG ARG 14 3.608 -2.263 3.150
134 2HG ARG 14 1HG ARG 14 4.132 -3.866 3.668
135 1HD ARG 14 2HD ARG 14 3.201 -3.004 5.598
136 2HD ARG 14 1HD ARG 14 4.913 -2.647 5.816
137 HE ARG 14 HE ARG 14 4.079 -0.390 4.701
138 1HH1 ARG 14 1HH1 ARG 14 2.645 -2.275 7.268
139 2HH1 ARG 14 2HH1 ARG 14 1.915 -0.904 8.032
140 1HH2 ARG 14 1HH2 ARG 14 3.124 1.410 5.707
141 2HH2 ARG 14 2HH2 ARG 14 2.187 1.189 7.148
142 H ARG 15 H ARG 15 6.032 -1.484 -0.483
143 HA ARG 15 HA ARG 15 5.471 -3.894 -1.593
144 1HB ARG 15 2HB ARG 15 2.975 -3.425 -2.260
145 2HB ARG 15 1HB ARG 15 3.350 -4.246 -0.757
146 1HG ARG 15 2HG ARG 15 3.304 -1.560 -0.064
147 2HG ARG 15 1HG ARG 15 1.989 -1.734 -1.217
148 1HD ARG 15 2HD ARG 15 2.309 -3.700 1.011
149 2HD ARG 15 1HD ARG 15 1.532 -2.145 1.299
150 HE ARG 15 HE ARG 15 0.215 -3.085 -0.859
151 1HH1 ARG 15 1HH1 ARG 15 0.965 -4.481 2.249
152 2HH1 ARG 15 2HH1 ARG 15 -0.447 -5.482 2.280
153 1HH2 ARG 15 1HH2 ARG 15 -1.646 -4.402 -0.819
154 2HH2 ARG 15 2HH2 ARG 15 -1.930 -5.437 0.540
155 H TYR 16 H TYR 16 5.680 -3.735 -3.802
156 HA TYR 16 HA TYR 16 4.795 -1.686 -5.441
157 1HB TYR 16 2HB TYR 16 6.557 -0.189 -5.626
158 2HB TYR 16 1HB TYR 16 6.587 -0.561 -3.909
159 HD1 TYR 16 1HD TYR 16 7.837 -3.342 -4.238
160 HD2 TYR 16 2HD TYR 16 8.862 0.475 -5.805
161 HE1 TYR 16 1HE TYR 16 10.167 -4.057 -4.426
162 HE2 TYR 16 2HE TYR 16 11.212 -0.229 -5.992
163 HH TYR 16 HH TYR 16 12.535 -2.216 -6.122
164 H ARG 17 H ARG 17 6.746 -1.550 -7.366
165 HA ARG 17 HA ARG 17 7.529 -2.666 -9.175
166 1HB ARG 17 2HB ARG 17 9.419 -3.547 -8.372
167 2HB ARG 17 1HB ARG 17 8.673 -3.900 -6.822
168 1HG ARG 17 2HG ARG 17 8.200 -5.718 -9.149
169 2HG ARG 17 1HG ARG 17 9.708 -5.808 -8.241
170 1HD ARG 17 2HD ARG 17 6.917 -6.138 -7.156
171 2HD ARG 17 1HD ARG 17 8.146 -7.391 -7.323
172 HE ARG 17 HE ARG 17 9.314 -5.514 -5.731
173 1HH1 ARG 17 1HH1 ARG 17 6.347 -7.343 -5.579
174 2HH1 ARG 17 2HH1 ARG 17 6.302 -7.361 -3.847
175 1HH2 ARG 17 1HH2 ARG 17 9.253 -5.532 -3.456
176 2HH2 ARG 17 2HH2 ARG 17 7.949 -6.331 -2.643
Start of MODEL 19
1 1H LYS 1 1HT LYS 1 0.621 -10.861 5.949
2 2H LYS 1 2HT LYS 1 0.579 -9.150 6.071
3 3H LYS 1 3HT LYS 1 2.055 -9.952 5.722
4 HA LYS 1 HA LYS 1 1.380 -10.552 3.622
5 1HB LYS 1 2HB LYS 1 -0.944 -10.194 2.862
6 2HB LYS 1 1HB LYS 1 -0.854 -11.301 4.225
7 1HG LYS 1 2HG LYS 1 -1.950 -9.898 5.618
8 2HG LYS 1 1HG LYS 1 -1.284 -8.449 4.862
9 1HD LYS 1 2HD LYS 1 -3.143 -10.081 3.233
10 2HD LYS 1 1HD LYS 1 -3.839 -9.186 4.586
11 1HE LYS 1 2HE LYS 1 -2.095 -7.966 2.451
12 2HE LYS 1 1HE LYS 1 -3.858 -7.944 2.428
13 1HZ LYS 1 1HZ LYS 1 -2.370 -6.013 3.494
14 2HZ LYS 1 2HZ LYS 1 -2.619 -6.971 4.866
15 3HZ LYS 1 3HZ LYS 1 -3.945 -6.366 4.007
16 H TRP 2 H TRP 2 0.974 -9.105 1.735
17 HA TRP 2 HA TRP 2 2.149 -6.584 2.135
18 1HB TRP 2 2HB TRP 2 2.130 -6.501 -0.203
19 2HB TRP 2 1HB TRP 2 2.137 -8.231 0.123
20 HD1 TRP 2 HD TRP 2 -0.865 -8.852 0.581
21 HE1 TRP 2 1HE TRP 2 -2.571 -8.506 -1.304
22 HE3 TRP 2 3HE TRP 2 1.787 -5.661 -2.227
23 HZ2 TRP 2 2HZ TRP 2 -2.757 -7.032 -3.742
24 HZ3 TRP 2 3HZ TRP 2 0.822 -4.774 -4.340
25 HH2 TRP 2 HH TRP 2 -1.409 -5.461 -5.078
26 H TYR 3 H TYR 3 0.506 -5.168 0.148
27 HA TYR 3 HA TYR 3 -1.844 -4.552 1.798
28 1HB TYR 3 2HB TYR 3 -1.605 -2.196 1.147
29 2HB TYR 3 1HB TYR 3 -0.166 -2.776 1.970
30 HD1 TYR 3 1HD TYR 3 -0.085 -4.122 -1.268
31 HD2 TYR 3 2HD TYR 3 0.487 -0.466 0.820
32 HE1 TYR 3 1HE TYR 3 1.278 -3.284 -3.127
33 HE2 TYR 3 2HE TYR 3 1.853 0.373 -1.037
34 HH TYR 3 HH TYR 3 1.973 -1.122 -4.069
35 H PHE 4 H PHE 4 -2.013 -2.537 -0.795
36 HA PHE 4 HA PHE 4 -2.770 -4.169 -2.917
37 1HB PHE 4 2HB PHE 4 -5.218 -4.003 -2.807
38 2HB PHE 4 1HB PHE 4 -4.567 -4.939 -1.472
39 HD1 PHE 4 1HD PHE 4 -7.213 -3.178 -2.054
40 HD2 PHE 4 2HD PHE 4 -3.772 -2.783 0.431
41 HE1 PHE 4 1HE PHE 4 -8.507 -1.810 -0.474
42 HE2 PHE 4 2HE PHE 4 -5.065 -1.429 2.007
43 HZ PHE 4 HZ PHE 4 -7.435 -0.933 1.560
44 H ARG 5 H ARG 5 -3.623 -1.184 -1.197
45 HA ARG 5 HA ARG 5 -2.709 0.456 -3.329
46 1HB ARG 5 2HB ARG 5 -5.672 0.138 -2.932
47 2HB ARG 5 1HB ARG 5 -4.985 1.609 -3.598
48 1HG ARG 5 2HG ARG 5 -4.911 -1.157 -4.776
49 2HG ARG 5 1HG ARG 5 -5.717 0.273 -5.414
50 1HD ARG 5 2HD ARG 5 -3.556 1.337 -5.793
51 2HD ARG 5 1HD ARG 5 -2.733 -0.072 -5.128
52 HE ARG 5 HE ARG 5 -4.445 -0.760 -7.300
53 1HH1 ARG 5 1HH1 ARG 5 -1.313 0.567 -6.519
54 2HH1 ARG 5 2HH1 ARG 5 -0.591 0.067 -8.011
55 1HH2 ARG 5 1HH2 ARG 5 -3.499 -1.419 -9.261
56 2HH2 ARG 5 2HH2 ARG 5 -1.832 -1.060 -9.570
57 H VAL 6 H VAL 6 -5.465 1.550 -1.574
58 HA VAL 6 HA VAL 6 -5.750 3.109 0.024
59 HB VAL 6 HB VAL 6 -3.308 1.726 1.127
60 1HG1 VAL 6 1HG1 VAL 6 -3.189 3.754 2.245
61 2HG1 VAL 6 2HG1 VAL 6 -4.159 2.760 3.332
62 3HG1 VAL 6 3HG1 VAL 6 -4.942 3.947 2.289
63 1HG2 VAL 6 1HG2 VAL 6 -6.061 1.562 2.262
64 2HG2 VAL 6 2HG2 VAL 6 -4.740 0.397 2.337
65 3HG2 VAL 6 3HG2 VAL 6 -5.642 0.612 0.836
66 H TYR 7 H TYR 7 -2.255 3.134 0.108
67 HA TYR 7 HA TYR 7 -0.788 4.893 -0.027
68 1HB TYR 7 2HB TYR 7 -0.512 4.846 -2.246
69 2HB TYR 7 1HB TYR 7 -2.205 4.466 -2.486
70 HD1 TYR 7 1HD TYR 7 -3.846 6.237 -2.864
71 HD2 TYR 7 2HD TYR 7 0.333 7.074 -2.549
72 HE1 TYR 7 1HE TYR 7 -4.193 8.431 -3.952
73 HE2 TYR 7 2HE TYR 7 -0.016 9.260 -3.610
74 HH TYR 7 HH TYR 7 -1.757 10.857 -4.023
75 H TYR 8 H TYR 8 -3.808 6.290 -1.147
76 HA TYR 8 HA TYR 8 -4.784 8.329 -0.874
77 1HB TYR 8 2HB TYR 8 -5.521 8.691 1.388
78 2HB TYR 8 1HB TYR 8 -5.521 6.965 1.034
79 HD1 TYR 8 1HD TYR 8 -3.869 5.501 2.050
80 HD2 TYR 8 2HD TYR 8 -3.997 9.620 3.027
81 HE1 TYR 8 1HE TYR 8 -2.470 5.055 4.019
82 HE2 TYR 8 2HE TYR 8 -2.599 9.215 4.996
83 HH TYR 8 HH TYR 8 -0.939 7.508 5.760
84 H ARG 9 H ARG 9 -3.284 9.759 -1.802
85 HA ARG 9 HA ARG 9 -1.591 11.321 -1.884
86 1HB ARG 9 2HB ARG 9 -2.126 13.264 -0.602
87 2HB ARG 9 1HB ARG 9 -3.655 12.481 -0.974
88 1HG ARG 9 2HG ARG 9 -3.470 11.398 1.333
89 2HG ARG 9 1HG ARG 9 -2.192 12.571 1.648
90 1HD ARG 9 2HD ARG 9 -3.669 14.203 1.993
91 2HD ARG 9 1HD ARG 9 -4.529 13.831 0.500
92 HE ARG 9 HE ARG 9 -6.126 12.848 1.780
93 1HH1 ARG 9 1HH1 ARG 9 -3.112 12.709 3.538
94 2HH1 ARG 9 2HH1 ARG 9 -3.811 11.939 4.922
95 1HH2 ARG 9 1HH2 ARG 9 -7.045 11.837 3.601
96 2HH2 ARG 9 2HH2 ARG 9 -6.043 11.445 4.959
97 H GLY 10 H GLY 10 -0.929 8.927 -0.511
98 1HA GLY 10 2HA GLY 10 0.883 9.923 1.565
99 2HA GLY 10 1HA GLY 10 0.174 8.316 1.531
100 H ILE 11 H ILE 11 1.057 6.733 0.298
101 HA ILE 11 HA ILE 11 2.786 7.003 -1.803
102 HB ILE 11 HB ILE 11 4.196 8.139 0.020
103 1HG1 ILE 11 2HG1 ILE 11 5.315 7.871 -1.960
104 2HG1 ILE 11 1HG1 ILE 11 6.296 6.850 -0.910
105 1HG2 ILE 11 1HG2 ILE 11 5.778 6.474 1.128
106 2HG2 ILE 11 2HG2 ILE 11 4.490 5.304 0.887
107 3HG2 ILE 11 3HG2 ILE 11 4.197 6.745 1.855
108 1HD1 ILE 11 1HD1 ILE 11 5.159 4.891 -1.699
109 2HD1 ILE 11 2HD1 ILE 11 5.802 5.800 -3.068
110 3HD1 ILE 11 3HD1 ILE 11 4.077 5.873 -2.684
111 H TYR 12 H TYR 12 0.827 5.360 -1.360
112 HA TYR 12 HA TYR 12 0.105 3.205 -1.276
113 1HB TYR 12 2HB TYR 12 2.570 3.255 -2.897
114 2HB TYR 12 1HB TYR 12 1.876 1.676 -2.525
115 HD1 TYR 12 1HD TYR 12 2.011 3.852 -5.071
116 HD2 TYR 12 2HD TYR 12 -0.929 2.030 -2.604
117 HE1 TYR 12 1HE TYR 12 0.334 4.163 -6.848
118 HE2 TYR 12 2HE TYR 12 -2.614 2.337 -4.355
119 HH TYR 12 HH TYR 12 -2.507 2.583 -6.991
120 H TYR 13 H TYR 13 3.544 2.666 -0.709
121 HA TYR 13 HA TYR 13 4.555 1.891 1.166
122 1HB TYR 13 2HB TYR 13 2.052 0.775 2.365
123 2HB TYR 13 1HB TYR 13 3.493 1.390 3.171
124 HD1 TYR 13 1HD TYR 13 3.678 3.919 1.500
125 HD2 TYR 13 2HD TYR 13 0.448 2.121 3.580
126 HE1 TYR 13 1HE TYR 13 2.598 6.086 1.628
127 HE2 TYR 13 2HE TYR 13 -0.659 4.311 3.759
128 HH TYR 13 HH TYR 13 0.611 7.034 3.587
129 H ARG 14 H ARG 14 5.241 0.493 -0.663
130 HA ARG 14 HA ARG 14 4.138 -2.209 -0.618
131 1HB ARG 14 2HB ARG 14 5.056 -0.626 -2.666
132 2HB ARG 14 1HB ARG 14 6.435 -1.672 -2.382
133 1HG ARG 14 2HG ARG 14 3.628 -2.625 -2.917
134 2HG ARG 14 1HG ARG 14 4.910 -2.521 -4.121
135 1HD ARG 14 2HD ARG 14 5.323 -4.076 -1.603
136 2HD ARG 14 1HD ARG 14 4.417 -4.781 -2.940
137 HE ARG 14 HE ARG 14 6.990 -3.684 -3.662
138 1HH1 ARG 14 1HH1 ARG 14 5.241 -6.521 -2.622
139 2HH1 ARG 14 2HH1 ARG 14 6.430 -7.626 -3.225
140 1HH2 ARG 14 1HH2 ARG 14 8.552 -5.136 -4.455
141 2HH2 ARG 14 2HH2 ARG 14 8.310 -6.840 -4.263
142 H ARG 15 H ARG 15 6.992 -3.095 -1.536
143 HA ARG 15 HA ARG 15 8.708 -4.217 -0.566
144 1HB ARG 15 2HB ARG 15 8.652 -1.828 1.283
145 2HB ARG 15 1HB ARG 15 9.983 -2.968 1.140
146 1HG ARG 15 2HG ARG 15 10.748 -1.327 -0.229
147 2HG ARG 15 1HG ARG 15 9.834 -2.272 -1.405
148 1HD ARG 15 2HD ARG 15 7.887 -0.772 -0.995
149 2HD ARG 15 1HD ARG 15 8.925 0.220 0.026
150 HE ARG 15 HE ARG 15 9.776 1.158 -1.864
151 1HH1 ARG 15 1HH1 ARG 15 8.388 -1.930 -2.713
152 2HH1 ARG 15 2HH1 ARG 15 8.676 -1.733 -4.409
153 1HH2 ARG 15 1HH2 ARG 15 10.152 1.421 -4.093
154 2HH2 ARG 15 2HH2 ARG 15 9.678 0.168 -5.193
155 H TYR 16 H TYR 16 6.074 -4.967 0.315
156 HA TYR 16 HA TYR 16 5.947 -5.261 3.118
157 1HB TYR 16 2HB TYR 16 4.045 -6.535 2.763
158 2HB TYR 16 1HB TYR 16 4.112 -5.592 1.278
159 HD1 TYR 16 1HD TYR 16 5.526 -6.772 -0.662
160 HD2 TYR 16 2HD TYR 16 3.649 -8.796 2.574
161 HE1 TYR 16 1HE TYR 16 5.508 -8.848 -1.978
162 HE2 TYR 16 2HE TYR 16 3.624 -10.878 1.266
163 HH TYR 16 HH TYR 16 4.985 -11.850 -0.671
164 H ARG 17 H ARG 17 7.410 -7.189 0.586
165 HA ARG 17 HA ARG 17 8.156 -9.280 2.476
166 1HB ARG 17 2HB ARG 17 7.350 -9.597 0.003
167 2HB ARG 17 1HB ARG 17 9.024 -9.231 -0.391
168 1HG ARG 17 2HG ARG 17 9.654 -11.293 0.110
169 2HG ARG 17 1HG ARG 17 8.911 -11.188 1.706
170 1HD ARG 17 2HD ARG 17 7.901 -13.016 0.553
171 2HD ARG 17 1HD ARG 17 6.717 -11.711 0.633
172 HE ARG 17 HE ARG 17 7.957 -11.350 -1.768
173 1HH1 ARG 17 1HH1 ARG 17 6.280 -14.009 -0.252
174 2HH1 ARG 17 2HH1 ARG 17 5.715 -14.671 -1.749
175 1HH2 ARG 17 1HH2 ARG 17 7.215 -12.218 -3.738
176 2HH2 ARG 17 2HH2 ARG 17 6.246 -13.653 -3.730
Start of MODEL 20
1 1H LYS 1 1HT LYS 1 -5.410 -7.898 7.058
2 2H LYS 1 2HT LYS 1 -5.540 -9.117 5.856
3 3H LYS 1 3HT LYS 1 -6.909 -8.688 6.799
4 HA LYS 1 HA LYS 1 -6.936 -7.800 4.548
5 1HB LYS 1 2HB LYS 1 -7.148 -5.318 5.538
6 2HB LYS 1 1HB LYS 1 -8.344 -6.567 5.851
7 1HG LYS 1 2HG LYS 1 -7.904 -5.522 7.917
8 2HG LYS 1 1HG LYS 1 -7.086 -7.083 7.972
9 1HD LYS 1 2HD LYS 1 -5.005 -6.148 7.919
10 2HD LYS 1 1HD LYS 1 -5.539 -4.754 6.979
11 1HE LYS 1 2HE LYS 1 -4.864 -4.316 9.386
12 2HE LYS 1 1HE LYS 1 -6.427 -3.682 8.872
13 1HZ LYS 1 1HZ LYS 1 -7.544 -5.102 10.204
14 2HZ LYS 1 2HZ LYS 1 -6.107 -5.064 11.095
15 3HZ LYS 1 3HZ LYS 1 -6.414 -6.351 10.042
16 H TRP 2 H TRP 2 -5.560 -7.368 2.957
17 HA TRP 2 HA TRP 2 -3.157 -5.816 3.527
18 1HB TRP 2 2HB TRP 2 -2.014 -7.170 2.079
19 2HB TRP 2 1HB TRP 2 -3.304 -8.302 2.487
20 HD1 TRP 2 HD TRP 2 -5.039 -8.913 0.568
21 HE1 TRP 2 1HE TRP 2 -5.128 -8.356 -1.945
22 HE3 TRP 2 3HE TRP 2 -1.466 -5.338 0.460
23 HZ2 TRP 2 2HZ TRP 2 -3.786 -6.627 -3.763
24 HZ3 TRP 2 3HZ TRP 2 -0.882 -4.268 -1.697
25 HH2 TRP 2 HH TRP 2 -2.033 -4.899 -3.762
26 H TYR 3 H TYR 3 -6.156 -5.640 2.179
27 HA TYR 3 HA TYR 3 -7.160 -4.414 0.574
28 1HB TYR 3 2HB TYR 3 -6.158 -1.890 0.905
29 2HB TYR 3 1HB TYR 3 -7.355 -2.643 1.952
30 HD1 TYR 3 1HD TYR 3 -3.713 -2.050 1.564
31 HD2 TYR 3 2HD TYR 3 -6.872 -3.131 4.195
32 HE1 TYR 3 1HE TYR 3 -2.159 -1.950 3.452
33 HE2 TYR 3 2HE TYR 3 -5.331 -3.018 6.099
34 HH TYR 3 HH TYR 3 -3.139 -1.822 6.632
35 H PHE 4 H PHE 4 -4.582 -2.136 0.127
36 HA PHE 4 HA PHE 4 -3.207 -3.251 -2.019
37 1HB PHE 4 2HB PHE 4 -4.512 -1.922 -3.849
38 2HB PHE 4 1HB PHE 4 -5.159 -3.465 -3.300
39 HD1 PHE 4 1HD PHE 4 -5.288 -0.131 -1.654
40 HD2 PHE 4 2HD PHE 4 -7.469 -3.277 -3.506
41 HE1 PHE 4 1HE PHE 4 -7.358 0.963 -1.009
42 HE2 PHE 4 2HE PHE 4 -9.576 -2.188 -2.850
43 HZ PHE 4 HZ PHE 4 -9.530 -0.062 -1.604
44 H ARG 5 H ARG 5 -4.227 -0.343 -3.268
45 HA ARG 5 HA ARG 5 -1.883 1.063 -2.726
46 1HB ARG 5 2HB ARG 5 -4.330 2.663 -3.202
47 2HB ARG 5 1HB ARG 5 -2.766 2.742 -4.001
48 1HG ARG 5 2HG ARG 5 -3.479 0.485 -5.063
49 2HG ARG 5 1HG ARG 5 -5.105 0.980 -4.583
50 1HD ARG 5 2HD ARG 5 -3.354 2.893 -6.067
51 2HD ARG 5 1HD ARG 5 -4.176 1.605 -6.946
52 HE ARG 5 HE ARG 5 -5.909 3.120 -5.225
53 1HH1 ARG 5 1HH1 ARG 5 -4.455 2.956 -8.393
54 2HH1 ARG 5 2HH1 ARG 5 -5.683 3.919 -9.144
55 1HH2 ARG 5 1HH2 ARG 5 -7.524 4.387 -6.210
56 2HH2 ARG 5 2HH2 ARG 5 -7.425 4.732 -7.904
57 H VAL 6 H VAL 6 -5.082 2.026 -1.607
58 HA VAL 6 HA VAL 6 -5.797 3.126 0.280
59 HB VAL 6 HB VAL 6 -3.644 1.527 1.570
60 1HG1 VAL 6 1HG1 VAL 6 -6.004 2.999 2.541
61 2HG1 VAL 6 2HG1 VAL 6 -4.481 2.640 3.354
62 3HG1 VAL 6 3HG1 VAL 6 -5.747 1.416 3.275
63 1HG2 VAL 6 1HG2 VAL 6 -5.441 -0.239 1.863
64 2HG2 VAL 6 2HG2 VAL 6 -4.776 -0.052 0.241
65 3HG2 VAL 6 3HG2 VAL 6 -6.353 0.635 0.633
66 H TYR 7 H TYR 7 -3.271 4.131 -1.152
67 HA TYR 7 HA TYR 7 -1.816 5.330 1.026
68 1HB TYR 7 2HB TYR 7 -0.173 5.731 -0.496
69 2HB TYR 7 1HB TYR 7 -0.977 4.343 -1.221
70 HD1 TYR 7 1HD TYR 7 -3.379 5.813 -2.390
71 HD2 TYR 7 2HD TYR 7 0.790 6.739 -2.413
72 HE1 TYR 7 1HE TYR 7 -3.666 7.074 -4.479
73 HE2 TYR 7 2HE TYR 7 0.496 8.003 -4.498
74 HH TYR 7 HH TYR 7 -1.011 8.178 -6.354
75 H TYR 8 H TYR 8 -4.316 6.167 -1.153
76 HA TYR 8 HA TYR 8 -5.216 8.243 -1.752
77 1HB TYR 8 2HB TYR 8 -6.352 9.018 0.409
78 2HB TYR 8 1HB TYR 8 -6.617 7.357 -0.124
79 HD1 TYR 8 1HD TYR 8 -4.038 9.156 1.937
80 HD2 TYR 8 2HD TYR 8 -6.620 5.790 1.560
81 HE1 TYR 8 1HE TYR 8 -3.221 8.310 4.073
82 HE2 TYR 8 2HE TYR 8 -5.793 4.917 3.705
83 HH TYR 8 HH TYR 8 -3.067 5.846 5.143
84 H ARG 9 H ARG 9 -2.629 8.913 -1.889
85 HA ARG 9 HA ARG 9 -1.502 10.915 -2.060
86 1HB ARG 9 2HB ARG 9 -2.296 12.855 -1.173
87 2HB ARG 9 1HB ARG 9 -3.751 11.883 -1.037
88 1HG ARG 9 2HG ARG 9 -2.688 11.321 1.345
89 2HG ARG 9 1HG ARG 9 -1.944 12.902 1.080
90 1HD ARG 9 2HD ARG 9 -4.851 12.196 1.287
91 2HD ARG 9 1HD ARG 9 -3.933 13.381 2.212
92 HE ARG 9 HE ARG 9 -3.797 14.330 -0.318
93 1HH1 ARG 9 1HH1 ARG 9 -6.448 13.331 1.721
94 2HH1 ARG 9 2HH1 ARG 9 -7.578 14.429 1.003
95 1HH2 ARG 9 1HH2 ARG 9 -5.281 15.775 -1.263
96 2HH2 ARG 9 2HH2 ARG 9 -6.916 15.816 -0.692
97 H GLY 10 H GLY 10 -1.059 8.489 -0.391
98 1HA GLY 10 2HA GLY 10 0.714 9.596 1.676
99 2HA GLY 10 1HA GLY 10 0.120 7.942 1.618
100 H ILE 11 H ILE 11 1.245 6.413 0.496
101 HA ILE 11 HA ILE 11 3.050 6.913 -1.558
102 HB ILE 11 HB ILE 11 4.255 7.995 0.417
103 1HG1 ILE 11 2HG1 ILE 11 5.513 7.836 -1.513
104 2HG1 ILE 11 1HG1 ILE 11 6.494 6.930 -0.366
105 1HG2 ILE 11 1HG2 ILE 11 4.182 6.552 2.190
106 2HG2 ILE 11 2HG2 ILE 11 5.815 6.315 1.572
107 3HG2 ILE 11 3HG2 ILE 11 4.558 5.146 1.204
108 1HD1 ILE 11 1HD1 ILE 11 4.570 5.728 -2.333
109 2HD1 ILE 11 2HD1 ILE 11 5.629 4.854 -1.227
110 3HD1 ILE 11 3HD1 ILE 11 6.323 5.819 -2.534
111 H TYR 12 H TYR 12 1.217 5.141 -1.531
112 HA TYR 12 HA TYR 12 0.577 2.979 -1.622
113 1HB TYR 12 2HB TYR 12 3.320 3.005 -2.799
114 2HB TYR 12 1HB TYR 12 2.260 1.602 -2.918
115 HD1 TYR 12 1HD TYR 12 -0.355 2.999 -3.300
116 HD2 TYR 12 2HD TYR 12 3.463 3.717 -5.035
117 HE1 TYR 12 1HE TYR 12 -1.443 4.010 -5.252
118 HE2 TYR 12 2HE TYR 12 2.383 4.727 -7.000
119 HH TYR 12 HH TYR 12 -0.946 5.534 -7.059
120 H TYR 13 H TYR 13 3.945 2.583 -0.651
121 HA TYR 13 HA TYR 13 4.770 1.636 1.227
122 1HB TYR 13 2HB TYR 13 2.168 0.404 2.048
123 2HB TYR 13 1HB TYR 13 3.505 0.950 3.058
124 HD1 TYR 13 1HD TYR 13 0.487 1.630 3.350
125 HD2 TYR 13 2HD TYR 13 3.757 3.622 1.524
126 HE1 TYR 13 1HE TYR 13 -0.666 3.786 3.632
127 HE2 TYR 13 2HE TYR 13 2.633 5.744 1.762
128 HH TYR 13 HH TYR 13 0.866 6.741 3.306
129 H ARG 14 H ARG 14 5.095 -0.673 2.100
130 HA ARG 14 HA ARG 14 5.150 -2.440 -0.206
131 1HB ARG 14 2HB ARG 14 6.338 -2.740 2.557
132 2HB ARG 14 1HB ARG 14 6.574 -3.874 1.235
133 1HG ARG 14 2HG ARG 14 7.256 -1.043 0.712
134 2HG ARG 14 1HG ARG 14 8.308 -1.940 1.810
135 1HD ARG 14 2HD ARG 14 9.278 -2.290 -0.273
136 2HD ARG 14 1HD ARG 14 8.321 -3.748 -0.022
137 HE ARG 14 HE ARG 14 7.751 -1.579 -1.898
138 1HH1 ARG 14 1HH1 ARG 14 6.837 -4.669 -0.541
139 2HH1 ARG 14 2HH1 ARG 14 5.735 -5.040 -1.823
140 1HH2 ARG 14 1HH2 ARG 14 6.300 -2.074 -3.577
141 2HH2 ARG 14 2HH2 ARG 14 5.431 -3.572 -3.543
142 H ARG 15 H ARG 15 3.471 -3.717 -0.580
143 HA ARG 15 HA ARG 15 1.752 -5.173 -0.291
144 1HB ARG 15 2HB ARG 15 3.282 -5.661 2.255
145 2HB ARG 15 1HB ARG 15 1.801 -6.532 1.885
146 1HG ARG 15 2HG ARG 15 2.769 -7.545 -0.023
147 2HG ARG 15 1HG ARG 15 4.174 -6.482 0.045
148 1HD ARG 15 2HD ARG 15 3.442 -8.492 2.168
149 2HD ARG 15 1HD ARG 15 4.613 -8.777 0.883
150 HE ARG 15 HE ARG 15 6.105 -7.342 1.935
151 1HH1 ARG 15 1HH1 ARG 15 3.043 -7.375 3.620
152 2HH1 ARG 15 2HH1 ARG 15 3.674 -6.598 5.031
153 1HH2 ARG 15 1HH2 ARG 15 6.929 -6.319 3.791
154 2HH2 ARG 15 2HH2 ARG 15 5.876 -5.996 5.129
155 H TYR 16 H TYR 16 2.039 -4.276 3.127
156 HA TYR 16 HA TYR 16 -0.418 -2.696 2.894
157 1HB TYR 16 2HB TYR 16 -1.431 -3.783 4.796
158 2HB TYR 16 1HB TYR 16 -1.008 -5.009 3.608
159 HD1 TYR 16 1HD TYR 16 -0.122 -3.567 6.879
160 HD2 TYR 16 2HD TYR 16 0.615 -6.702 4.098
161 HE1 TYR 16 1HE TYR 16 1.128 -4.795 8.604
162 HE2 TYR 16 2HE TYR 16 1.868 -7.938 5.816
163 HH TYR 16 HH TYR 16 3.043 -7.547 7.878
164 H ARG 17 H ARG 17 2.277 -3.680 4.981
165 HA ARG 17 HA ARG 17 1.986 -1.484 6.777
166 1HB ARG 17 2HB ARG 17 3.190 -3.798 7.082
167 2HB ARG 17 1HB ARG 17 4.576 -2.939 6.424
168 1HG ARG 17 2HG ARG 17 4.823 -1.634 8.269
169 2HG ARG 17 1HG ARG 17 3.101 -1.665 8.657
170 1HD ARG 17 2HD ARG 17 3.801 -4.288 8.956
171 2HD ARG 17 1HD ARG 17 5.259 -3.458 9.499
172 HE ARG 17 HE ARG 17 3.294 -2.153 10.812
173 1HH1 ARG 17 1HH1 ARG 17 4.088 -5.536 10.487
174 2HH1 ARG 17 2HH1 ARG 17 3.460 -5.961 12.043
175 1HH2 ARG 17 1HH2 ARG 17 2.469 -2.710 12.860
176 2HH2 ARG 17 2HH2 ARG 17 2.540 -4.358 13.390
Start of MODEL 21
1 1H LYS 1 1HT LYS 1 5.314 -8.360 -0.978
2 2H LYS 1 2HT LYS 1 5.811 -8.046 0.634
3 3H LYS 1 3HT LYS 1 6.529 -7.190 -0.669
4 HA LYS 1 HA LYS 1 3.802 -6.979 0.393
5 1HB LYS 1 2HB LYS 1 6.171 -5.140 0.058
6 2HB LYS 1 1HB LYS 1 4.558 -4.543 0.416
7 1HG LYS 1 2HG LYS 1 4.625 -5.232 2.560
8 2HG LYS 1 1HG LYS 1 5.564 -6.676 2.181
9 1HD LYS 1 2HD LYS 1 7.417 -5.659 2.868
10 2HD LYS 1 1HD LYS 1 7.189 -4.405 1.648
11 1HE LYS 1 2HE LYS 1 5.479 -4.147 4.022
12 2HE LYS 1 1HE LYS 1 7.205 -3.973 4.332
13 1HZ LYS 1 1HZ LYS 1 5.410 -2.258 2.811
14 2HZ LYS 1 2HZ LYS 1 6.977 -2.436 2.199
15 3HZ LYS 1 3HZ LYS 1 6.744 -1.851 3.769
16 H TRP 2 H TRP 2 2.249 -6.775 -1.073
17 HA TRP 2 HA TRP 2 2.921 -5.610 -3.683
18 1HB TRP 2 2HB TRP 2 1.702 -7.214 -4.786
19 2HB TRP 2 1HB TRP 2 2.236 -8.154 -3.396
20 HD1 TRP 2 HD TRP 2 0.366 -9.222 -1.938
21 HE1 TRP 2 1HE TRP 2 -2.193 -9.038 -1.888
22 HE3 TRP 2 3HE TRP 2 -0.224 -5.443 -5.207
23 HZ2 TRP 2 2HZ TRP 2 -4.235 -7.570 -3.192
24 HZ3 TRP 2 3HZ TRP 2 -2.500 -4.703 -5.842
25 HH2 TRP 2 HH TRP 2 -4.471 -5.740 -4.823
26 H TYR 3 H TYR 3 1.061 -5.328 -0.940
27 HA TYR 3 HA TYR 3 -0.782 -4.194 -0.346
28 1HB TYR 3 2HB TYR 3 -0.601 -1.787 -0.758
29 2HB TYR 3 1HB TYR 3 0.996 -2.455 -0.467
30 HD1 TYR 3 1HD TYR 3 -0.889 -0.351 -2.569
31 HD2 TYR 3 2HD TYR 3 2.330 -3.130 -2.657
32 HE1 TYR 3 1HE TYR 3 -0.113 0.617 -4.688
33 HE2 TYR 3 2HE TYR 3 3.101 -2.182 -4.778
34 HH TYR 3 HH TYR 3 2.847 -0.527 -6.269
35 H PHE 4 H PHE 4 -1.747 -1.920 -2.312
36 HA PHE 4 HA PHE 4 -2.933 -3.190 -4.493
37 1HB PHE 4 2HB PHE 4 -5.214 -3.488 -3.755
38 2HB PHE 4 1HB PHE 4 -4.150 -4.425 -2.715
39 HD1 PHE 4 1HD PHE 4 -3.275 -2.918 -0.601
40 HD2 PHE 4 2HD PHE 4 -6.936 -2.438 -2.719
41 HE1 PHE 4 1HE PHE 4 -4.263 -1.861 1.367
42 HE2 PHE 4 2HE PHE 4 -7.932 -1.355 -0.753
43 HZ PHE 4 HZ PHE 4 -6.599 -1.067 1.301
44 H ARG 5 H ARG 5 -3.666 -0.787 -1.971
45 HA ARG 5 HA ARG 5 -3.497 1.350 -3.864
46 1HB ARG 5 2HB ARG 5 -6.173 0.746 -2.604
47 2HB ARG 5 1HB ARG 5 -5.775 2.220 -3.473
48 1HG ARG 5 2HG ARG 5 -5.783 -0.550 -4.660
49 2HG ARG 5 1HG ARG 5 -7.084 0.627 -4.809
50 1HD ARG 5 2HD ARG 5 -5.939 1.920 -6.289
51 2HD ARG 5 1HD ARG 5 -4.369 1.516 -5.596
52 HE ARG 5 HE ARG 5 -5.646 -0.676 -6.957
53 1HH1 ARG 5 1HH1 ARG 5 -3.569 2.107 -7.322
54 2HH1 ARG 5 2HH1 ARG 5 -2.815 1.510 -8.761
55 1HH2 ARG 5 1HH2 ARG 5 -4.651 -1.461 -8.850
56 2HH2 ARG 5 2HH2 ARG 5 -3.429 -0.512 -9.628
57 H VAL 6 H VAL 6 -5.677 1.613 -1.164
58 HA VAL 6 HA VAL 6 -5.632 3.017 0.602
59 HB VAL 6 HB VAL 6 -3.109 1.422 1.037
60 1HG1 VAL 6 1HG1 VAL 6 -2.738 3.436 2.260
61 2HG1 VAL 6 2HG1 VAL 6 -3.244 2.203 3.414
62 3HG1 VAL 6 3HG1 VAL 6 -4.388 3.433 2.882
63 1HG2 VAL 6 1HG2 VAL 6 -4.421 -0.095 2.026
64 2HG2 VAL 6 2HG2 VAL 6 -5.758 0.727 1.224
65 3HG2 VAL 6 3HG2 VAL 6 -5.347 1.133 2.888
66 H TYR 7 H TYR 7 -2.209 2.966 -0.048
67 HA TYR 7 HA TYR 7 -0.759 4.803 0.151
68 1HB TYR 7 2HB TYR 7 -0.367 4.788 -2.045
69 2HB TYR 7 1HB TYR 7 -1.985 4.186 -2.324
70 HD1 TYR 7 1HD TYR 7 0.251 6.986 -2.591
71 HD2 TYR 7 2HD TYR 7 -3.846 5.783 -2.732
72 HE1 TYR 7 1HE TYR 7 -0.293 9.035 -3.800
73 HE2 TYR 7 2HE TYR 7 -4.398 7.859 -3.968
74 HH TYR 7 HH TYR 7 -1.974 9.951 -5.247
75 H TYR 8 H TYR 8 -3.794 6.064 -1.059
76 HA TYR 8 HA TYR 8 -4.827 8.085 -0.897
77 1HB TYR 8 2HB TYR 8 -5.545 8.531 1.397
78 2HB TYR 8 1HB TYR 8 -5.617 6.813 1.013
79 HD1 TYR 8 1HD TYR 8 -3.849 9.389 2.951
80 HD2 TYR 8 2HD TYR 8 -4.172 5.235 2.122
81 HE1 TYR 8 1HE TYR 8 -2.457 8.908 4.897
82 HE2 TYR 8 2HE TYR 8 -2.777 4.721 4.073
83 HH TYR 8 HH TYR 8 -2.160 5.816 6.232
84 H ARG 9 H ARG 9 -3.346 9.510 -1.863
85 HA ARG 9 HA ARG 9 -1.779 11.184 -1.988
86 1HB ARG 9 2HB ARG 9 -2.269 13.055 -0.467
87 2HB ARG 9 1HB ARG 9 -3.753 12.360 -1.105
88 1HG ARG 9 2HG ARG 9 -4.257 11.295 0.941
89 2HG ARG 9 1HG ARG 9 -2.638 11.583 1.583
90 1HD ARG 9 2HD ARG 9 -3.311 14.106 1.162
91 2HD ARG 9 1HD ARG 9 -4.941 13.450 1.298
92 HE ARG 9 HE ARG 9 -3.111 13.897 3.419
93 1HH1 ARG 9 1HH1 ARG 9 -5.605 11.703 2.346
94 2HH1 ARG 9 2HH1 ARG 9 -6.029 11.203 3.949
95 1HH2 ARG 9 1HH2 ARG 9 -3.667 13.241 5.527
96 2HH2 ARG 9 2HH2 ARG 9 -4.930 12.077 5.754
97 H GLY 10 H GLY 10 -0.993 8.797 -0.563
98 1HA GLY 10 2HA GLY 10 0.886 9.947 1.370
99 2HA GLY 10 1HA GLY 10 0.221 8.328 1.461
100 H ILE 11 H ILE 11 1.096 6.689 0.255
101 HA ILE 11 HA ILE 11 2.727 6.888 -1.926
102 HB ILE 11 HB ILE 11 4.168 8.202 -0.271
103 1HG1 ILE 11 2HG1 ILE 11 5.247 7.824 -2.246
104 2HG1 ILE 11 1HG1 ILE 11 6.273 6.871 -1.174
105 1HG2 ILE 11 1HG2 ILE 11 4.300 6.968 1.675
106 2HG2 ILE 11 2HG2 ILE 11 5.856 6.688 0.903
107 3HG2 ILE 11 3HG2 ILE 11 4.603 5.463 0.818
108 1HD1 ILE 11 1HD1 ILE 11 4.005 5.801 -2.830
109 2HD1 ILE 11 2HD1 ILE 11 5.075 4.867 -1.787
110 3HD1 ILE 11 3HD1 ILE 11 5.725 5.667 -3.221
111 H TYR 12 H TYR 12 0.954 5.148 -1.533
112 HA TYR 12 HA TYR 12 0.346 2.963 -1.240
113 1HB TYR 12 2HB TYR 12 2.945 2.851 -2.713
114 2HB TYR 12 1HB TYR 12 1.945 1.416 -2.476
115 HD1 TYR 12 1HD TYR 12 2.733 3.343 -5.010
116 HD2 TYR 12 2HD TYR 12 -0.746 2.525 -2.708
117 HE1 TYR 12 1HE TYR 12 1.319 4.010 -6.910
118 HE2 TYR 12 2HE TYR 12 -2.164 3.190 -4.580
119 HH TYR 12 HH TYR 12 -1.147 4.935 -7.137
120 H TYR 13 H TYR 13 3.805 2.709 -0.534
121 HA TYR 13 HA TYR 13 4.799 2.082 1.397
122 1HB TYR 13 2HB TYR 13 2.337 0.963 2.650
123 2HB TYR 13 1HB TYR 13 3.719 1.751 3.409
124 HD1 TYR 13 1HD TYR 13 0.549 2.263 3.538
125 HD2 TYR 13 2HD TYR 13 3.856 4.138 1.658
126 HE1 TYR 13 1HE TYR 13 -0.692 4.384 3.484
127 HE2 TYR 13 2HE TYR 13 2.659 6.237 1.568
128 HH TYR 13 HH TYR 13 -0.703 6.479 2.297
129 H ARG 14 H ARG 14 2.745 0.041 -0.442
130 HA ARG 14 HA ARG 14 2.935 -2.151 -1.057
131 1HB ARG 14 2HB ARG 14 5.516 -2.376 0.463
132 2HB ARG 14 1HB ARG 14 5.029 -3.218 -0.999
133 1HG ARG 14 2HG ARG 14 5.423 -0.253 -1.019
134 2HG ARG 14 1HG ARG 14 6.799 -1.347 -1.145
135 1HD ARG 14 2HD ARG 14 6.402 -1.494 -3.325
136 2HD ARG 14 1HD ARG 14 4.895 -2.328 -2.946
137 HE ARG 14 HE ARG 14 4.147 0.222 -2.733
138 1HH1 ARG 14 1HH1 ARG 14 5.999 -1.403 -5.211
139 2HH1 ARG 14 2HH1 ARG 14 5.469 -0.341 -6.473
140 1HH2 ARG 14 1HH2 ARG 14 3.455 1.613 -4.390
141 2HH2 ARG 14 2HH2 ARG 14 4.026 1.370 -6.008
142 H ARG 15 H ARG 15 2.104 -4.039 -0.174
143 HA ARG 15 HA ARG 15 2.389 -4.442 2.691
144 1HB ARG 15 2HB ARG 15 -0.331 -4.225 1.413
145 2HB ARG 15 1HB ARG 15 0.000 -4.604 3.095
146 1HG ARG 15 2HG ARG 15 0.771 -2.021 1.757
147 2HG ARG 15 1HG ARG 15 -0.698 -2.260 2.704
148 1HD ARG 15 2HD ARG 15 1.987 -2.898 3.864
149 2HD ARG 15 1HD ARG 15 1.394 -1.241 3.843
150 HE ARG 15 HE ARG 15 -0.315 -1.851 5.335
151 1HH1 ARG 15 1HH1 ARG 15 1.785 -4.545 4.586
152 2HH1 ARG 15 2HH1 ARG 15 1.266 -5.482 5.943
153 1HH2 ARG 15 1HH2 ARG 15 -0.998 -3.092 7.113
154 2HH2 ARG 15 2HH2 ARG 15 -0.314 -4.661 7.376
155 H TYR 16 H TYR 16 0.135 -5.846 0.242
156 HA TYR 16 HA TYR 16 0.986 -8.089 -0.620
157 1HB TYR 16 2HB TYR 16 1.066 -9.806 1.068
158 2HB TYR 16 1HB TYR 16 2.150 -8.494 1.491
159 HD1 TYR 16 1HD TYR 16 1.324 -10.433 3.549
160 HD2 TYR 16 2HD TYR 16 -0.567 -6.855 2.255
161 HE1 TYR 16 1HE TYR 16 0.220 -10.213 5.740
162 HE2 TYR 16 2HE TYR 16 -1.661 -6.621 4.393
163 HH TYR 16 HH TYR 16 -1.685 -9.140 6.744
164 H ARG 17 H ARG 17 -1.497 -6.343 0.694
165 HA ARG 17 HA ARG 17 -3.465 -8.436 0.060
166 1HB ARG 17 2HB ARG 17 -4.882 -7.690 1.814
167 2HB ARG 17 1HB ARG 17 -3.277 -7.842 2.514
168 1HG ARG 17 2HG ARG 17 -2.977 -5.400 2.251
169 2HG ARG 17 1HG ARG 17 -4.642 -5.292 1.675
170 1HD ARG 17 2HD ARG 17 -5.329 -6.392 3.843
171 2HD ARG 17 1HD ARG 17 -3.675 -6.140 4.396
172 HE ARG 17 HE ARG 17 -5.739 -4.149 4.115
173 1HH1 ARG 17 1HH1 ARG 17 -2.303 -4.723 4.330
174 2HH1 ARG 17 2HH1 ARG 17 -1.946 -3.126 4.895
175 1HH2 ARG 17 1HH2 ARG 17 -5.270 -2.050 4.860
176 2HH2 ARG 17 2HH2 ARG 17 -3.629 -1.609 5.197
Start of MODEL 22
1 1H LYS 1 1HT LYS 1 -2.263 -3.083 9.758
2 2H LYS 1 2HT LYS 1 -3.719 -3.963 9.981
3 3H LYS 1 3HT LYS 1 -3.674 -2.279 10.308
4 HA LYS 1 HA LYS 1 -4.737 -2.991 8.190
5 1HB LYS 1 2HB LYS 1 -3.343 -0.761 8.969
6 2HB LYS 1 1HB LYS 1 -2.547 -1.169 7.456
7 1HG LYS 1 2HG LYS 1 -4.979 -1.330 6.541
8 2HG LYS 1 1HG LYS 1 -5.366 -0.339 7.949
9 1HD LYS 1 2HD LYS 1 -3.117 0.436 6.132
10 2HD LYS 1 1HD LYS 1 -4.785 0.810 5.691
11 1HE LYS 1 2HE LYS 1 -4.712 2.601 7.000
12 2HE LYS 1 1HE LYS 1 -4.452 1.555 8.396
13 1HZ LYS 1 1HZ LYS 1 -2.458 2.968 6.748
14 2HZ LYS 1 2HZ LYS 1 -2.012 1.599 7.635
15 3HZ LYS 1 3HZ LYS 1 -2.633 2.957 8.431
16 H TRP 2 H TRP 2 -4.473 -3.832 6.146
17 HA TRP 2 HA TRP 2 -2.020 -5.327 5.677
18 1HB TRP 2 2HB TRP 2 -3.379 -6.743 4.325
19 2HB TRP 2 1HB TRP 2 -4.334 -6.386 5.761
20 HD1 TRP 2 HD TRP 2 -6.093 -4.116 5.313
21 HE1 TRP 2 1HE TRP 2 -7.536 -3.750 3.225
22 HE3 TRP 2 3HE TRP 2 -3.644 -7.148 2.148
23 HZ2 TRP 2 2HZ TRP 2 -7.671 -4.700 0.554
24 HZ3 TRP 2 3HZ TRP 2 -4.450 -7.379 -0.182
25 HH2 TRP 2 HH TRP 2 -6.436 -6.198 -0.953
26 H TYR 3 H TYR 3 -2.877 -5.487 2.732
27 HA TYR 3 HA TYR 3 -2.560 -2.758 1.863
28 1HB TYR 3 2HB TYR 3 -0.451 -2.973 0.799
29 2HB TYR 3 1HB TYR 3 -0.238 -3.691 2.394
30 HD1 TYR 3 1HD TYR 3 1.488 -4.200 -0.084
31 HD2 TYR 3 2HD TYR 3 -1.878 -6.244 1.520
32 HE1 TYR 3 1HE TYR 3 2.278 -6.287 -1.114
33 HE2 TYR 3 2HE TYR 3 -1.088 -8.347 0.506
34 HH TYR 3 HH TYR 3 0.956 -9.344 -0.325
35 H PHE 4 H PHE 4 -3.084 -2.312 -0.122
36 HA PHE 4 HA PHE 4 -3.481 -4.241 -2.203
37 1HB PHE 4 2HB PHE 4 -5.863 -3.294 -2.553
38 2HB PHE 4 1HB PHE 4 -5.636 -4.517 -1.318
39 HD1 PHE 4 1HD PHE 4 -4.884 -3.375 1.074
40 HD2 PHE 4 2HD PHE 4 -7.254 -1.601 -2.004
41 HE1 PHE 4 1HE PHE 4 -5.872 -1.813 2.711
42 HE2 PHE 4 2HE PHE 4 -8.241 -0.063 -0.369
43 HZ PHE 4 HZ PHE 4 -7.559 -0.172 1.995
44 H ARG 5 H ARG 5 -4.348 -0.960 -1.153
45 HA ARG 5 HA ARG 5 -2.724 0.237 -3.205
46 1HB ARG 5 2HB ARG 5 -5.519 1.232 -3.149
47 2HB ARG 5 1HB ARG 5 -4.339 1.301 -4.441
48 1HG ARG 5 2HG ARG 5 -5.471 -1.343 -3.661
49 2HG ARG 5 1HG ARG 5 -6.449 -0.232 -4.614
50 1HD ARG 5 2HD ARG 5 -3.656 -1.069 -5.374
51 2HD ARG 5 1HD ARG 5 -5.114 -1.870 -5.960
52 HE ARG 5 HE ARG 5 -5.244 0.917 -6.444
53 1HH1 ARG 5 1HH1 ARG 5 -3.699 -1.997 -7.592
54 2HH1 ARG 5 2HH1 ARG 5 -3.486 -1.397 -9.202
55 1HH2 ARG 5 1HH2 ARG 5 -4.966 1.705 -8.560
56 2HH2 ARG 5 2HH2 ARG 5 -4.204 0.704 -9.752
57 H VAL 6 H VAL 6 -5.521 1.416 -1.451
58 HA VAL 6 HA VAL 6 -5.829 3.220 -0.123
59 HB VAL 6 HB VAL 6 -3.395 2.043 1.218
60 1HG1 VAL 6 1HG1 VAL 6 -4.957 4.416 1.828
61 2HG1 VAL 6 2HG1 VAL 6 -3.417 3.875 2.493
62 3HG1 VAL 6 3HG1 VAL 6 -4.930 3.260 3.162
63 1HG2 VAL 6 1HG2 VAL 6 -4.977 0.374 1.291
64 2HG2 VAL 6 2HG2 VAL 6 -6.323 1.509 1.401
65 3HG2 VAL 6 3HG2 VAL 6 -5.281 1.237 2.798
66 H TYR 7 H TYR 7 -2.349 3.249 0.117
67 HA TYR 7 HA TYR 7 -0.846 4.937 -0.164
68 1HB TYR 7 2HB TYR 7 -0.624 4.855 -2.383
69 2HB TYR 7 1HB TYR 7 -2.339 4.542 -2.592
70 HD1 TYR 7 1HD TYR 7 0.293 7.048 -2.630
71 HD2 TYR 7 2HD TYR 7 -3.904 6.372 -2.960
72 HE1 TYR 7 1HE TYR 7 0.036 9.253 -3.642
73 HE2 TYR 7 2HE TYR 7 -4.172 8.601 -3.998
74 HH TYR 7 HH TYR 7 -1.577 10.429 -5.146
75 H TYR 8 H TYR 8 -3.924 6.302 -1.160
76 HA TYR 8 HA TYR 8 -4.796 8.413 -0.941
77 1HB TYR 8 2HB TYR 8 -5.749 8.641 1.216
78 2HB TYR 8 1HB TYR 8 -5.610 6.917 0.892
79 HD1 TYR 8 1HD TYR 8 -4.935 9.501 3.216
80 HD2 TYR 8 2HD TYR 8 -3.477 5.755 1.847
81 HE1 TYR 8 1HE TYR 8 -3.703 9.216 5.321
82 HE2 TYR 8 2HE TYR 8 -2.260 5.440 3.944
83 HH TYR 8 HH TYR 8 -2.326 6.243 6.256
84 H ARG 9 H ARG 9 -3.146 9.764 -1.739
85 HA ARG 9 HA ARG 9 -1.490 11.336 -1.679
86 1HB ARG 9 2HB ARG 9 -1.913 13.161 -0.114
87 2HB ARG 9 1HB ARG 9 -3.431 12.585 -0.791
88 1HG ARG 9 2HG ARG 9 -4.059 11.541 1.211
89 2HG ARG 9 1HG ARG 9 -2.421 11.613 1.865
90 1HD ARG 9 2HD ARG 9 -4.081 14.051 1.252
91 2HD ARG 9 1HD ARG 9 -4.042 13.273 2.832
92 HE ARG 9 HE ARG 9 -2.089 15.025 1.754
93 1HH1 ARG 9 1HH1 ARG 9 -2.453 12.200 3.770
94 2HH1 ARG 9 2HH1 ARG 9 -0.999 12.497 4.663
95 1HH2 ARG 9 1HH2 ARG 9 -0.177 15.418 2.928
96 2HH2 ARG 9 2HH2 ARG 9 0.292 14.324 4.185
97 H GLY 10 H GLY 10 -0.983 8.810 -0.382
98 1HA GLY 10 2HA GLY 10 0.879 9.605 1.733
99 2HA GLY 10 1HA GLY 10 0.172 8.003 1.532
100 H ILE 11 H ILE 11 0.983 6.612 0.045
101 HA ILE 11 HA ILE 11 2.618 6.874 -2.047
102 HB ILE 11 HB ILE 11 4.124 8.116 -0.378
103 1HG1 ILE 11 2HG1 ILE 11 5.129 7.769 -2.419
104 2HG1 ILE 11 1HG1 ILE 11 6.202 6.850 -1.369
105 1HG2 ILE 11 1HG2 ILE 11 3.881 6.034 1.230
106 2HG2 ILE 11 2HG2 ILE 11 5.312 7.058 1.222
107 3HG2 ILE 11 3HG2 ILE 11 5.322 5.522 0.358
108 1HD1 ILE 11 1HD1 ILE 11 5.100 4.792 -2.003
109 2HD1 ILE 11 2HD1 ILE 11 5.661 5.659 -3.435
110 3HD1 ILE 11 3HD1 ILE 11 3.950 5.692 -2.998
111 H TYR 12 H TYR 12 0.831 5.152 -1.600
112 HA TYR 12 HA TYR 12 0.200 3.002 -1.254
113 1HB TYR 12 2HB TYR 12 2.713 2.863 -2.853
114 2HB TYR 12 1HB TYR 12 1.752 1.414 -2.538
115 HD1 TYR 12 1HD TYR 12 -0.953 2.428 -2.650
116 HD2 TYR 12 2HD TYR 12 2.366 3.369 -5.122
117 HE1 TYR 12 1HE TYR 12 -2.490 3.065 -4.430
118 HE2 TYR 12 2HE TYR 12 0.833 4.000 -6.941
119 HH TYR 12 HH TYR 12 -1.498 4.750 -7.209
120 H TYR 13 H TYR 13 3.669 2.906 -0.556
121 HA TYR 13 HA TYR 13 4.625 2.359 1.434
122 1HB TYR 13 2HB TYR 13 2.191 0.882 2.366
123 2HB TYR 13 1HB TYR 13 3.481 1.597 3.329
124 HD1 TYR 13 1HD TYR 13 0.442 2.001 3.648
125 HD2 TYR 13 2HD TYR 13 3.450 4.222 1.612
126 HE1 TYR 13 1HE TYR 13 -0.903 4.040 3.890
127 HE2 TYR 13 2HE TYR 13 2.113 6.253 1.853
128 HH TYR 13 HH TYR 13 0.011 6.863 3.846
129 H ARG 14 H ARG 14 4.830 0.078 2.766
130 HA ARG 14 HA ARG 14 5.162 -1.973 0.679
131 1HB ARG 14 2HB ARG 14 7.015 -2.835 2.204
132 2HB ARG 14 1HB ARG 14 7.336 -1.337 1.344
133 1HG ARG 14 2HG ARG 14 6.133 -0.928 3.968
134 2HG ARG 14 1HG ARG 14 7.692 -1.755 4.024
135 1HD ARG 14 2HD ARG 14 8.610 0.274 3.893
136 2HD ARG 14 1HD ARG 14 8.114 0.268 2.201
137 HE ARG 14 HE ARG 14 6.073 1.195 4.001
138 1HH1 ARG 14 1HH1 ARG 14 8.867 2.121 2.128
139 2HH1 ARG 14 2HH1 ARG 14 8.398 3.784 2.015
140 1HH2 ARG 14 1HH2 ARG 14 5.454 3.383 3.857
141 2HH2 ARG 14 2HH2 ARG 14 6.461 4.501 2.998
142 H ARG 15 H ARG 15 3.217 -2.994 1.013
143 HA ARG 15 HA ARG 15 1.632 -4.283 1.979
144 1HB ARG 15 2HB ARG 15 2.644 -6.112 3.531
145 2HB ARG 15 1HB ARG 15 3.016 -6.107 1.815
146 1HG ARG 15 2HG ARG 15 5.148 -4.974 2.311
147 2HG ARG 15 1HG ARG 15 4.773 -5.078 4.034
148 1HD ARG 15 2HD ARG 15 5.971 -6.987 3.882
149 2HD ARG 15 1HD ARG 15 4.428 -7.646 3.340
150 HE ARG 15 HE ARG 15 5.317 -7.916 1.248
151 1HH1 ARG 15 1HH1 ARG 15 7.385 -5.792 3.087
152 2HH1 ARG 15 2HH1 ARG 15 8.640 -5.778 1.896
153 1HH2 ARG 15 1HH2 ARG 15 6.967 -7.899 -0.321
154 2HH2 ARG 15 2HH2 ARG 15 8.403 -6.974 -0.041
155 H TYR 16 H TYR 16 0.663 -5.166 4.035
156 HA TYR 16 HA TYR 16 -0.641 -3.897 5.644
157 1HB TYR 16 2HB TYR 16 0.252 -4.897 7.790
158 2HB TYR 16 1HB TYR 16 -0.095 -6.028 6.489
159 HD1 TYR 16 1HD TYR 16 2.395 -4.771 8.751
160 HD2 TYR 16 2HD TYR 16 1.842 -6.910 5.114
161 HE1 TYR 16 1HE TYR 16 4.676 -5.665 8.939
162 HE2 TYR 16 2HE TYR 16 4.124 -7.813 5.294
163 HH TYR 16 HH TYR 16 6.014 -7.484 8.150
164 H ARG 17 H ARG 17 2.809 -3.554 6.560
165 HA ARG 17 HA ARG 17 2.122 -0.916 7.662
166 1HB ARG 17 2HB ARG 17 4.004 -3.045 8.479
167 2HB ARG 17 1HB ARG 17 4.609 -1.402 8.630
168 1HG ARG 17 2HG ARG 17 2.120 -2.526 9.896
169 2HG ARG 17 1HG ARG 17 3.627 -2.098 10.710
170 1HD ARG 17 2HD ARG 17 2.912 -0.013 10.968
171 2HD ARG 17 1HD ARG 17 2.734 0.160 9.223
172 HE ARG 17 HE ARG 17 0.545 -1.220 10.465
173 1HH1 ARG 17 1HH1 ARG 17 1.849 1.914 9.661
174 2HH1 ARG 17 2HH1 ARG 17 0.306 2.698 9.670
175 1HH2 ARG 17 1HH2 ARG 17 -1.488 -0.192 10.478
176 2HH2 ARG 17 2HH2 ARG 17 -1.589 1.503 10.134
Start of MODEL 23
1 1H LYS 1 1HT LYS 1 -4.642 -9.541 6.842
2 2H LYS 1 2HT LYS 1 -3.916 -8.016 7.147
3 3H LYS 1 3HT LYS 1 -2.972 -9.312 6.535
4 HA LYS 1 HA LYS 1 -3.964 -9.240 4.482
5 1HB LYS 1 2HB LYS 1 -6.262 -9.073 5.261
6 2HB LYS 1 1HB LYS 1 -5.993 -7.421 5.799
7 1HG LYS 1 2HG LYS 1 -5.808 -6.631 3.575
8 2HG LYS 1 1HG LYS 1 -5.725 -8.270 2.929
9 1HD LYS 1 2HD LYS 1 -8.008 -8.685 3.482
10 2HD LYS 1 1HD LYS 1 -8.116 -7.189 4.412
11 1HE LYS 1 2HE LYS 1 -8.553 -5.973 2.589
12 2HE LYS 1 1HE LYS 1 -7.259 -6.739 1.669
13 1HZ LYS 1 1HZ LYS 1 -10.089 -7.372 1.767
14 2HZ LYS 1 2HZ LYS 1 -9.049 -8.705 1.740
15 3HZ LYS 1 3HZ LYS 1 -8.981 -7.555 0.501
16 H TRP 2 H TRP 2 -3.200 -7.873 2.900
17 HA TRP 2 HA TRP 2 -1.365 -5.882 3.630
18 1HB TRP 2 2HB TRP 2 -1.144 -5.550 1.230
19 2HB TRP 2 1HB TRP 2 -1.289 -7.269 1.575
20 HD1 TRP 2 HD TRP 2 -4.646 -6.687 1.960
21 HE1 TRP 2 1HE TRP 2 -5.982 -6.744 -0.224
22 HE3 TRP 2 3HE TRP 2 -0.824 -6.070 -1.305
23 HZ2 TRP 2 2HZ TRP 2 -5.481 -6.553 -3.008
24 HZ3 TRP 2 3HZ TRP 2 -1.310 -6.008 -3.724
25 HH2 TRP 2 HH TRP 2 -3.594 -6.249 -4.558
26 H TYR 3 H TYR 3 -2.343 -4.113 1.288
27 HA TYR 3 HA TYR 3 -4.608 -2.766 2.520
28 1HB TYR 3 2HB TYR 3 -3.549 -0.699 2.851
29 2HB TYR 3 1HB TYR 3 -2.359 -1.858 3.428
30 HD1 TYR 3 1HD TYR 3 -1.862 -2.565 0.277
31 HD2 TYR 3 2HD TYR 3 -1.616 0.899 2.725
32 HE1 TYR 3 1HE TYR 3 -0.188 -1.621 -1.251
33 HE2 TYR 3 2HE TYR 3 0.048 1.865 1.199
34 HH TYR 3 HH TYR 3 1.570 0.027 -1.266
35 H PHE 4 H PHE 4 -4.159 -4.244 0.047
36 HA PHE 4 HA PHE 4 -4.203 -4.055 -2.234
37 1HB PHE 4 2HB PHE 4 -6.358 -3.328 -2.981
38 2HB PHE 4 1HB PHE 4 -6.530 -4.116 -1.424
39 HD1 PHE 4 1HD PHE 4 -7.966 -1.766 -3.255
40 HD2 PHE 4 2HD PHE 4 -6.043 -2.045 0.539
41 HE1 PHE 4 1HE PHE 4 -9.276 0.153 -2.452
42 HE2 PHE 4 2HE PHE 4 -7.360 -0.134 1.343
43 HZ PHE 4 HZ PHE 4 -8.975 0.971 -0.150
44 H ARG 5 H ARG 5 -5.098 -0.725 -1.272
45 HA ARG 5 HA ARG 5 -2.940 0.272 -2.944
46 1HB ARG 5 2HB ARG 5 -5.581 1.650 -3.103
47 2HB ARG 5 1HB ARG 5 -4.247 1.678 -4.240
48 1HG ARG 5 2HG ARG 5 -5.730 -0.871 -3.825
49 2HG ARG 5 1HG ARG 5 -6.457 0.407 -4.799
50 1HD ARG 5 2HD ARG 5 -3.978 0.373 -5.845
51 2HD ARG 5 1HD ARG 5 -4.125 -1.315 -5.355
52 HE ARG 5 HE ARG 5 -5.492 -1.614 -7.145
53 1HH1 ARG 5 1HH1 ARG 5 -5.670 1.744 -6.210
54 2HH1 ARG 5 2HH1 ARG 5 -6.747 2.172 -7.496
55 1HH2 ARG 5 1HH2 ARG 5 -6.909 -1.051 -8.835
56 2HH2 ARG 5 2HH2 ARG 5 -7.451 0.588 -8.984
57 H VAL 6 H VAL 6 -5.711 1.584 -1.229
58 HA VAL 6 HA VAL 6 -5.914 3.221 0.327
59 HB VAL 6 HB VAL 6 -3.520 1.705 1.363
60 1HG1 VAL 6 1HG1 VAL 6 -3.820 4.208 2.174
61 2HG1 VAL 6 2HG1 VAL 6 -3.401 2.918 3.296
62 3HG1 VAL 6 3HG1 VAL 6 -5.068 3.476 3.183
63 1HG2 VAL 6 1HG2 VAL 6 -5.335 1.069 3.086
64 2HG2 VAL 6 2HG2 VAL 6 -5.370 0.327 1.486
65 3HG2 VAL 6 3HG2 VAL 6 -6.465 1.656 1.865
66 H TYR 7 H TYR 7 -2.440 3.130 0.439
67 HA TYR 7 HA TYR 7 -1.037 4.995 0.611
68 1HB TYR 7 2HB TYR 7 0.012 4.707 -1.317
69 2HB TYR 7 1HB TYR 7 -1.345 3.719 -1.810
70 HD1 TYR 7 1HD TYR 7 -3.311 4.951 -3.007
71 HD2 TYR 7 2HD TYR 7 0.604 6.601 -2.550
72 HE1 TYR 7 1HE TYR 7 -3.718 6.459 -4.908
73 HE2 TYR 7 2HE TYR 7 0.184 8.120 -4.438
74 HH TYR 7 HH TYR 7 -2.495 7.762 -6.536
75 H TYR 8 H TYR 8 -3.548 5.908 -1.649
76 HA TYR 8 HA TYR 8 -4.262 7.961 -2.349
77 1HB TYR 8 2HB TYR 8 -5.469 9.078 -0.332
78 2HB TYR 8 1HB TYR 8 -5.977 7.499 -0.915
79 HD1 TYR 8 1HD TYR 8 -6.494 5.952 0.678
80 HD2 TYR 8 2HD TYR 8 -3.507 8.841 1.588
81 HE1 TYR 8 1HE TYR 8 -6.253 4.989 2.924
82 HE2 TYR 8 2HE TYR 8 -3.261 7.888 3.836
83 HH TYR 8 HH TYR 8 -4.610 6.552 5.426
84 H ARG 9 H ARG 9 -4.086 10.002 0.262
85 HA ARG 9 HA ARG 9 -1.936 11.482 -0.928
86 1HB ARG 9 2HB ARG 9 -2.292 13.074 0.897
87 2HB ARG 9 1HB ARG 9 -3.835 12.617 0.186
88 1HG ARG 9 2HG ARG 9 -3.860 10.844 2.106
89 2HG ARG 9 1HG ARG 9 -2.705 11.947 2.859
90 1HD ARG 9 2HD ARG 9 -4.605 13.691 2.059
91 2HD ARG 9 1HD ARG 9 -5.594 12.264 2.366
92 HE ARG 9 HE ARG 9 -3.754 12.885 4.488
93 1HH1 ARG 9 1HH1 ARG 9 -6.929 13.504 3.179
94 2HH1 ARG 9 2HH1 ARG 9 -7.596 13.995 4.699
95 1HH2 ARG 9 1HH2 ARG 9 -4.631 13.531 6.487
96 2HH2 ARG 9 2HH2 ARG 9 -6.292 14.012 6.578
97 H GLY 10 H GLY 10 -0.785 9.197 -0.580
98 1HA GLY 10 2HA GLY 10 0.891 9.510 1.809
99 2HA GLY 10 1HA GLY 10 0.186 7.957 1.405
100 H ILE 11 H ILE 11 1.214 6.626 0.150
101 HA ILE 11 HA ILE 11 2.850 7.091 -1.996
102 HB ILE 11 HB ILE 11 4.213 8.331 -0.219
103 1HG1 ILE 11 2HG1 ILE 11 5.271 7.995 -2.282
104 2HG1 ILE 11 1HG1 ILE 11 6.397 7.298 -1.122
105 1HG2 ILE 11 1HG2 ILE 11 3.968 6.150 1.294
106 2HG2 ILE 11 2HG2 ILE 11 5.283 7.311 1.460
107 3HG2 ILE 11 3HG2 ILE 11 5.530 5.825 0.543
108 1HD1 ILE 11 1HD1 ILE 11 5.446 5.068 -1.621
109 2HD1 ILE 11 2HD1 ILE 11 6.215 5.841 -3.011
110 3HD1 ILE 11 3HD1 ILE 11 4.453 5.816 -2.874
111 H TYR 12 H TYR 12 1.473 5.175 -2.203
112 HA TYR 12 HA TYR 12 1.026 2.899 -1.401
113 1HB TYR 12 2HB TYR 12 2.941 3.198 -3.707
114 2HB TYR 12 1HB TYR 12 2.261 1.636 -3.258
115 HD1 TYR 12 1HD TYR 12 1.864 4.244 -5.456
116 HD2 TYR 12 2HD TYR 12 -0.415 1.862 -2.772
117 HE1 TYR 12 1HE TYR 12 -0.178 4.764 -6.734
118 HE2 TYR 12 2HE TYR 12 -2.459 2.376 -4.026
119 HH TYR 12 HH TYR 12 -2.823 3.140 -6.720
120 H TYR 13 H TYR 13 1.728 2.414 0.556
121 HA TYR 13 HA TYR 13 4.458 2.113 1.259
122 1HB TYR 13 2HB TYR 13 2.296 0.946 2.942
123 2HB TYR 13 1HB TYR 13 3.704 1.901 3.411
124 HD1 TYR 13 1HD TYR 13 3.523 4.273 1.780
125 HD2 TYR 13 2HD TYR 13 0.389 2.081 3.684
126 HE1 TYR 13 1HE TYR 13 2.147 6.258 1.812
127 HE2 TYR 13 2HE TYR 13 -0.992 4.108 3.726
128 HH TYR 13 HH TYR 13 -0.480 6.692 3.708
129 H ARG 14 H ARG 14 1.835 -0.278 1.505
130 HA ARG 14 HA ARG 14 3.452 -2.524 1.749
131 1HB ARG 14 2HB ARG 14 0.706 -1.968 1.679
132 2HB ARG 14 1HB ARG 14 0.966 -3.157 0.412
133 1HG ARG 14 2HG ARG 14 0.393 -4.179 2.567
134 2HG ARG 14 1HG ARG 14 1.986 -4.673 1.991
135 1HD ARG 14 2HD ARG 14 3.092 -3.496 3.619
136 2HD ARG 14 1HD ARG 14 1.796 -2.312 3.793
137 HE ARG 14 HE ARG 14 2.096 -4.767 5.233
138 1HH1 ARG 14 1HH1 ARG 14 -0.230 -2.450 4.050
139 2HH1 ARG 14 2HH1 ARG 14 -1.414 -2.838 5.251
140 1HH2 ARG 14 1HH2 ARG 14 0.541 -5.279 6.815
141 2HH2 ARG 14 2HH2 ARG 14 -0.977 -4.444 6.823
142 H ARG 15 H ARG 15 2.398 -4.320 -0.196
143 HA ARG 15 HA ARG 15 2.651 -5.071 -2.339
144 1HB ARG 15 2HB ARG 15 3.831 -2.392 -3.080
145 2HB ARG 15 1HB ARG 15 3.196 -3.619 -4.165
146 1HG ARG 15 2HG ARG 15 1.540 -2.110 -2.156
147 2HG ARG 15 1HG ARG 15 1.693 -1.680 -3.860
148 1HD ARG 15 2HD ARG 15 0.415 -4.103 -2.639
149 2HD ARG 15 1HD ARG 15 -0.293 -2.919 -3.732
150 HE ARG 15 HE ARG 15 1.056 -3.874 -5.509
151 1HH1 ARG 15 1HH1 ARG 15 0.756 -5.789 -2.593
152 2HH1 ARG 15 2HH1 ARG 15 1.129 -7.276 -3.391
153 1HH2 ARG 15 1HH2 ARG 15 1.547 -5.834 -6.544
154 2HH2 ARG 15 2HH2 ARG 15 1.577 -7.305 -5.629
155 H TYR 16 H TYR 16 4.132 -6.590 -1.908
156 HA TYR 16 HA TYR 16 6.714 -6.329 -1.021
157 1HB TYR 16 2HB TYR 16 7.144 -8.542 -2.092
158 2HB TYR 16 1HB TYR 16 5.661 -8.492 -1.145
159 HD1 TYR 16 1HD TYR 16 6.837 -8.007 -4.658
160 HD2 TYR 16 2HD TYR 16 3.725 -9.346 -2.083
161 HE1 TYR 16 1HE TYR 16 5.573 -8.804 -6.611
162 HE2 TYR 16 2HE TYR 16 2.455 -10.150 -4.028
163 HH TYR 16 HH TYR 16 2.497 -9.377 -6.702
164 H ARG 17 H ARG 17 5.500 -5.816 -4.250
165 HA ARG 17 HA ARG 17 7.978 -5.918 -5.613
166 1HB ARG 17 2HB ARG 17 6.805 -4.764 -7.429
167 2HB ARG 17 1HB ARG 17 5.841 -6.086 -6.788
168 1HG ARG 17 2HG ARG 17 4.288 -4.396 -7.034
169 2HG ARG 17 1HG ARG 17 4.734 -4.262 -5.331
170 1HD ARG 17 2HD ARG 17 6.431 -2.694 -7.121
171 2HD ARG 17 1HD ARG 17 4.734 -2.211 -7.151
172 HE ARG 17 HE ARG 17 5.255 -2.359 -4.514
173 1HH1 ARG 17 1HH1 ARG 17 6.900 -0.768 -7.150
174 2HH1 ARG 17 2HH1 ARG 17 7.514 0.511 -6.159
175 1HH2 ARG 17 1HH2 ARG 17 6.063 -0.677 -3.209
176 2HH2 ARG 17 2HH2 ARG 17 7.040 0.564 -3.921
Start of MODEL 24
1 1H LYS 1 1HT LYS 1 -12.197 -6.611 4.859
2 2H LYS 1 2HT LYS 1 -11.214 -8.015 4.966
3 3H LYS 1 3HT LYS 1 -12.632 -8.028 3.997
4 HA LYS 1 HA LYS 1 -10.846 -7.835 2.554
5 1HB LYS 1 2HB LYS 1 -12.810 -6.422 2.113
6 2HB LYS 1 1HB LYS 1 -12.097 -5.125 3.063
7 1HG LYS 1 2HG LYS 1 -10.351 -4.818 1.471
8 2HG LYS 1 1HG LYS 1 -10.830 -6.268 0.587
9 1HD LYS 1 2HD LYS 1 -13.148 -4.888 0.538
10 2HD LYS 1 1HD LYS 1 -11.993 -3.555 0.562
11 1HE LYS 1 2HE LYS 1 -11.528 -3.867 -1.587
12 2HE LYS 1 1HE LYS 1 -11.106 -5.552 -1.287
13 1HZ LYS 1 1HZ LYS 1 -13.082 -4.878 -2.867
14 2HZ LYS 1 2HZ LYS 1 -13.945 -4.866 -1.413
15 3HZ LYS 1 3HZ LYS 1 -13.150 -6.272 -1.913
16 H TRP 2 H TRP 2 -8.767 -7.246 2.112
17 HA TRP 2 HA TRP 2 -7.094 -6.433 4.208
18 1HB TRP 2 2HB TRP 2 -5.353 -6.515 2.527
19 2HB TRP 2 1HB TRP 2 -6.472 -7.843 2.252
20 HD1 TRP 2 HD TRP 2 -8.584 -5.561 0.851
21 HE1 TRP 2 1HE TRP 2 -8.113 -5.047 -1.614
22 HE3 TRP 2 3HE TRP 2 -3.833 -7.280 0.594
23 HZ2 TRP 2 2HZ TRP 2 -5.977 -5.344 -3.463
24 HZ3 TRP 2 3HZ TRP 2 -2.613 -7.139 -1.547
25 HH2 TRP 2 HH TRP 2 -3.668 -6.192 -3.537
26 H TYR 3 H TYR 3 -5.478 -4.643 2.284
27 HA TYR 3 HA TYR 3 -7.056 -2.187 2.417
28 1HB TYR 3 2HB TYR 3 -4.996 -1.040 3.394
29 2HB TYR 3 1HB TYR 3 -5.897 -2.083 4.491
30 HD1 TYR 3 1HD TYR 3 -4.474 -3.149 5.960
31 HD2 TYR 3 2HD TYR 3 -3.264 -2.711 1.902
32 HE1 TYR 3 1HE TYR 3 -2.433 -4.434 6.435
33 HE2 TYR 3 2HE TYR 3 -1.225 -4.002 2.367
34 HH TYR 3 HH TYR 3 -0.762 -5.954 4.670
35 H PHE 4 H PHE 4 -6.059 -3.922 0.260
36 HA PHE 4 HA PHE 4 -4.384 -3.847 -1.450
37 1HB PHE 4 2HB PHE 4 -5.577 -2.709 -3.246
38 2HB PHE 4 1HB PHE 4 -6.680 -3.614 -2.227
39 HD1 PHE 4 1HD PHE 4 -5.681 -0.619 -0.588
40 HD2 PHE 4 2HD PHE 4 -8.291 -2.131 -3.588
41 HE1 PHE 4 1HE PHE 4 -7.063 1.387 -0.385
42 HE2 PHE 4 2HE PHE 4 -9.691 -0.121 -3.379
43 HZ PHE 4 HZ PHE 4 -9.080 1.643 -1.774
44 H ARG 5 H ARG 5 -4.829 -0.947 -2.831
45 HA ARG 5 HA ARG 5 -2.176 -0.086 -2.488
46 1HB ARG 5 2HB ARG 5 -4.184 1.877 -3.433
47 2HB ARG 5 1HB ARG 5 -2.624 1.440 -4.118
48 1HG ARG 5 2HG ARG 5 -3.733 -0.749 -4.821
49 2HG ARG 5 1HG ARG 5 -5.260 0.058 -4.455
50 1HD ARG 5 2HD ARG 5 -3.529 1.723 -6.070
51 2HD ARG 5 1HD ARG 5 -3.834 0.169 -6.840
52 HE ARG 5 HE ARG 5 -6.040 0.759 -7.122
53 1HH1 ARG 5 1HH1 ARG 5 -4.480 3.063 -5.012
54 2HH1 ARG 5 2HH1 ARG 5 -5.804 4.178 -5.047
55 1HH2 ARG 5 1HH2 ARG 5 -7.780 2.224 -7.167
56 2HH2 ARG 5 2HH2 ARG 5 -7.677 3.702 -6.270
57 H VAL 6 H VAL 6 -5.126 1.644 -1.691
58 HA VAL 6 HA VAL 6 -5.689 3.103 -0.060
59 HB VAL 6 HB VAL 6 -3.245 1.974 1.290
60 1HG1 VAL 6 1HG1 VAL 6 -3.499 4.239 2.096
61 2HG1 VAL 6 2HG1 VAL 6 -4.039 3.118 3.344
62 3HG1 VAL 6 3HG1 VAL 6 -5.222 3.983 2.364
63 1HG2 VAL 6 1HG2 VAL 6 -5.616 0.789 0.937
64 2HG2 VAL 6 2HG2 VAL 6 -5.954 1.678 2.423
65 3HG2 VAL 6 3HG2 VAL 6 -4.614 0.534 2.364
66 H TYR 7 H TYR 7 -2.280 3.521 0.540
67 HA TYR 7 HA TYR 7 -0.932 5.363 0.286
68 1HB TYR 7 2HB TYR 7 -0.457 4.964 -1.871
69 2HB TYR 7 1HB TYR 7 -2.116 4.532 -2.212
70 HD1 TYR 7 1HD TYR 7 0.388 7.159 -2.344
71 HD2 TYR 7 2HD TYR 7 -3.732 6.188 -2.952
72 HE1 TYR 7 1HE TYR 7 0.120 9.191 -3.701
73 HE2 TYR 7 2HE TYR 7 -3.996 8.233 -4.329
74 HH TYR 7 HH TYR 7 -1.757 9.825 -5.739
75 H TYR 8 H TYR 8 -3.841 6.179 -1.388
76 HA TYR 8 HA TYR 8 -5.215 7.903 -1.571
77 1HB TYR 8 2HB TYR 8 -5.627 9.213 0.605
78 2HB TYR 8 1HB TYR 8 -6.106 7.532 0.464
79 HD1 TYR 8 1HD TYR 8 -5.223 5.877 1.900
80 HD2 TYR 8 2HD TYR 8 -3.574 9.803 1.981
81 HE1 TYR 8 1HE TYR 8 -4.013 5.328 3.971
82 HE2 TYR 8 2HE TYR 8 -2.367 9.259 4.045
83 HH TYR 8 HH TYR 8 -1.562 6.630 5.070
84 H ARG 9 H ARG 9 -2.691 9.168 0.489
85 HA ARG 9 HA ARG 9 -1.813 11.009 -1.531
86 1HB ARG 9 2HB ARG 9 -2.315 13.020 -0.393
87 2HB ARG 9 1HB ARG 9 -3.799 12.081 -0.334
88 1HG ARG 9 2HG ARG 9 -2.369 11.403 1.981
89 2HG ARG 9 1HG ARG 9 -2.245 13.154 1.819
90 1HD ARG 9 2HD ARG 9 -4.698 11.451 2.080
91 2HD ARG 9 1HD ARG 9 -4.198 12.827 3.061
92 HE ARG 9 HE ARG 9 -5.663 12.897 0.589
93 1HH1 ARG 9 1HH1 ARG 9 -3.565 14.694 2.722
94 2HH1 ARG 9 2HH1 ARG 9 -4.101 16.238 2.152
95 1HH2 ARG 9 1HH2 ARG 9 -6.372 14.925 -0.160
96 2HH2 ARG 9 2HH2 ARG 9 -5.698 16.371 0.515
97 H GLY 10 H GLY 10 -0.892 8.738 0.011
98 1HA GLY 10 2HA GLY 10 1.203 9.978 1.643
99 2HA GLY 10 1HA GLY 10 0.578 8.360 1.861
100 H ILE 11 H ILE 11 1.086 6.736 0.248
101 HA ILE 11 HA ILE 11 2.664 6.929 -1.932
102 HB ILE 11 HB ILE 11 4.252 8.114 -0.295
103 1HG1 ILE 11 2HG1 ILE 11 5.052 7.773 -2.444
104 2HG1 ILE 11 1HG1 ILE 11 6.255 6.957 -1.446
105 1HG2 ILE 11 1HG2 ILE 11 4.618 6.861 1.549
106 2HG2 ILE 11 2HG2 ILE 11 5.984 6.356 0.560
107 3HG2 ILE 11 3HG2 ILE 11 4.558 5.342 0.668
108 1HD1 ILE 11 1HD1 ILE 11 3.970 5.650 -2.888
109 2HD1 ILE 11 2HD1 ILE 11 5.163 4.832 -1.879
110 3HD1 ILE 11 3HD1 ILE 11 5.668 5.619 -3.378
111 H TYR 12 H TYR 12 0.852 5.253 -1.432
112 HA TYR 12 HA TYR 12 0.156 3.109 -1.182
113 1HB TYR 12 2HB TYR 12 2.568 3.004 -2.926
114 2HB TYR 12 1HB TYR 12 1.596 1.557 -2.635
115 HD1 TYR 12 1HD TYR 12 2.075 3.586 -5.171
116 HD2 TYR 12 2HD TYR 12 -1.077 2.694 -2.468
117 HE1 TYR 12 1HE TYR 12 0.429 4.373 -6.827
118 HE2 TYR 12 2HE TYR 12 -2.718 3.476 -4.073
119 HH TYR 12 HH TYR 12 -1.828 5.174 -6.948
120 H TYR 13 H TYR 13 3.642 2.694 -0.757
121 HA TYR 13 HA TYR 13 4.736 1.826 1.020
122 1HB TYR 13 2HB TYR 13 2.279 0.806 2.379
123 2HB TYR 13 1HB TYR 13 3.766 1.435 3.085
124 HD1 TYR 13 1HD TYR 13 3.930 3.923 1.422
125 HD2 TYR 13 2HD TYR 13 0.693 2.185 3.548
126 HE1 TYR 13 1HE TYR 13 2.897 6.103 1.571
127 HE2 TYR 13 2HE TYR 13 -0.358 4.398 3.755
128 HH TYR 13 HH TYR 13 -0.241 6.619 2.369
129 H ARG 14 H ARG 14 1.860 -0.239 0.782
130 HA ARG 14 HA ARG 14 3.458 -2.357 -0.440
131 1HB ARG 14 2HB ARG 14 1.857 -2.674 2.103
132 2HB ARG 14 1HB ARG 14 2.485 -4.017 1.160
133 1HG ARG 14 2HG ARG 14 4.355 -1.899 2.109
134 2HG ARG 14 1HG ARG 14 3.787 -3.132 3.237
135 1HD ARG 14 2HD ARG 14 4.514 -4.495 0.894
136 2HD ARG 14 1HD ARG 14 5.793 -3.317 1.189
137 HE ARG 14 HE ARG 14 6.428 -4.514 3.038
138 1HH1 ARG 14 1HH1 ARG 14 3.274 -5.601 2.012
139 2HH1 ARG 14 2HH1 ARG 14 3.252 -6.954 3.093
140 1HH2 ARG 14 1HH2 ARG 14 6.399 -6.295 4.459
141 2HH2 ARG 14 2HH2 ARG 14 5.025 -7.347 4.481
142 H ARG 15 H ARG 15 1.760 -4.362 -0.659
143 HA ARG 15 HA ARG 15 -0.939 -3.672 -1.169
144 1HB ARG 15 2HB ARG 15 -0.856 -3.930 -3.658
145 2HB ARG 15 1HB ARG 15 -0.117 -2.454 -3.057
146 1HG ARG 15 2HG ARG 15 2.014 -4.146 -3.118
147 2HG ARG 15 1HG ARG 15 1.069 -4.702 -4.500
148 1HD ARG 15 2HD ARG 15 2.253 -1.994 -3.994
149 2HD ARG 15 1HD ARG 15 2.473 -3.054 -5.385
150 HE ARG 15 HE ARG 15 0.425 -1.113 -5.024
151 1HH1 ARG 15 1HH1 ARG 15 1.080 -4.232 -6.444
152 2HH1 ARG 15 2HH1 ARG 15 -0.143 -4.077 -7.658
153 1HH2 ARG 15 1HH2 ARG 15 -1.187 -0.906 -6.620
154 2HH2 ARG 15 2HH2 ARG 15 -1.432 -2.189 -7.758
155 H TYR 16 H TYR 16 0.587 -5.749 0.117
156 HA TYR 16 HA TYR 16 -0.806 -8.019 -0.960
157 1HB TYR 16 2HB TYR 16 1.010 -9.363 -1.601
158 2HB TYR 16 1HB TYR 16 1.402 -7.786 -2.279
159 HD1 TYR 16 1HD TYR 16 2.946 -6.271 -0.835
160 HD2 TYR 16 2HD TYR 16 2.569 -10.472 -0.286
161 HE1 TYR 16 1HE TYR 16 5.102 -6.304 0.344
162 HE2 TYR 16 2HE TYR 16 4.721 -10.519 0.897
163 HH TYR 16 HH TYR 16 6.281 -7.718 1.987
164 H ARG 17 H ARG 17 0.779 -9.999 0.353
165 HA ARG 17 HA ARG 17 -0.307 -10.204 2.825
166 1HB ARG 17 2HB ARG 17 2.093 -11.312 1.527
167 2HB ARG 17 1HB ARG 17 2.134 -11.348 3.284
168 1HG ARG 17 2HG ARG 17 1.242 -13.416 2.265
169 2HG ARG 17 1HG ARG 17 0.115 -12.632 3.371
170 1HD ARG 17 2HD ARG 17 -0.177 -11.710 0.627
171 2HD ARG 17 1HD ARG 17 -0.425 -13.448 0.789
172 HE ARG 17 HE ARG 17 -1.849 -12.027 2.789
173 1HH1 ARG 17 1HH1 ARG 17 -1.929 -12.844 -0.603
174 2HH1 ARG 17 2HH1 ARG 17 -3.653 -12.729 -0.717
175 1HH2 ARG 17 1HH2 ARG 17 -4.118 -11.881 2.641
176 2HH2 ARG 17 2HH2 ARG 17 -4.895 -12.184 1.124
Start of MODEL 25
1 1H LYS 1 1HT LYS 1 -5.196 -11.743 -0.823
2 2H LYS 1 2HT LYS 1 -5.147 -10.117 -1.375
3 3H LYS 1 3HT LYS 1 -6.307 -11.208 -2.013
4 HA LYS 1 HA LYS 1 -7.486 -9.940 -0.548
5 1HB LYS 1 2HB LYS 1 -6.599 -12.306 1.104
6 2HB LYS 1 1HB LYS 1 -8.181 -11.538 1.086
7 1HG LYS 1 2HG LYS 1 -8.346 -12.270 -1.338
8 2HG LYS 1 1HG LYS 1 -6.938 -13.285 -1.013
9 1HD LYS 1 2HD LYS 1 -8.408 -14.050 1.045
10 2HD LYS 1 1HD LYS 1 -9.727 -13.510 0.004
11 1HE LYS 1 2HE LYS 1 -7.605 -15.524 -0.731
12 2HE LYS 1 1HE LYS 1 -9.267 -15.898 -0.282
13 1HZ LYS 1 1HZ LYS 1 -8.245 -14.661 -2.744
14 2HZ LYS 1 2HZ LYS 1 -9.820 -14.308 -2.235
15 3HZ LYS 1 3HZ LYS 1 -9.375 -15.907 -2.559
16 H TRP 2 H TRP 2 -6.329 -8.054 -0.033
17 HA TRP 2 HA TRP 2 -5.455 -7.957 2.725
18 1HB TRP 2 2HB TRP 2 -3.285 -7.094 2.303
19 2HB TRP 2 1HB TRP 2 -3.455 -8.498 1.261
20 HD1 TRP 2 HD TRP 2 -5.310 -6.574 -0.804
21 HE1 TRP 2 1HE TRP 2 -3.974 -5.134 -2.420
22 HE3 TRP 2 3HE TRP 2 -0.798 -6.664 1.568
23 HZ2 TRP 2 2HZ TRP 2 -1.317 -4.164 -2.710
24 HZ3 TRP 2 3HZ TRP 2 1.086 -5.455 0.564
25 HH2 TRP 2 HH TRP 2 0.839 -4.233 -1.529
26 H TYR 3 H TYR 3 -4.178 -5.181 1.859
27 HA TYR 3 HA TYR 3 -6.781 -3.842 1.711
28 1HB TYR 3 2HB TYR 3 -5.907 -2.039 3.059
29 2HB TYR 3 1HB TYR 3 -5.645 -3.571 3.884
30 HD1 TYR 3 1HD TYR 3 -3.978 -0.965 1.853
31 HD2 TYR 3 2HD TYR 3 -3.474 -4.249 4.507
32 HE1 TYR 3 1HE TYR 3 -1.588 -0.419 2.066
33 HE2 TYR 3 2HE TYR 3 -1.083 -3.716 4.727
34 HH TYR 3 HH TYR 3 0.661 -2.545 3.538
35 H PHE 4 H PHE 4 -3.774 -4.101 0.114
36 HA PHE 4 HA PHE 4 -2.973 -3.158 -1.790
37 1HB PHE 4 2HB PHE 4 -4.520 -2.221 -3.399
38 2HB PHE 4 1HB PHE 4 -5.227 -3.640 -2.648
39 HD1 PHE 4 1HD PHE 4 -5.135 0.052 -1.961
40 HD2 PHE 4 2HD PHE 4 -7.453 -3.507 -2.226
41 HE1 PHE 4 1HE PHE 4 -7.136 1.331 -1.397
42 HE2 PHE 4 2HE PHE 4 -9.474 -2.228 -1.655
43 HZ PHE 4 HZ PHE 4 -9.321 0.196 -1.242
44 H ARG 5 H ARG 5 -3.424 -0.778 -3.099
45 HA ARG 5 HA ARG 5 -1.683 0.994 -2.221
46 1HB ARG 5 2HB ARG 5 -4.228 2.289 -3.063
47 2HB ARG 5 1HB ARG 5 -2.586 2.588 -3.597
48 1HG ARG 5 2HG ARG 5 -4.347 0.286 -4.403
49 2HG ARG 5 1HG ARG 5 -3.885 1.668 -5.396
50 1HD ARG 5 2HD ARG 5 -1.702 0.060 -4.198
51 2HD ARG 5 1HD ARG 5 -2.614 -0.673 -5.517
52 HE ARG 5 HE ARG 5 -2.033 1.654 -6.609
53 1HH1 ARG 5 1HH1 ARG 5 0.025 -0.446 -4.719
54 2HH1 ARG 5 2HH1 ARG 5 1.477 0.064 -5.511
55 1HH2 ARG 5 1HH2 ARG 5 -0.121 2.321 -7.646
56 2HH2 ARG 5 2HH2 ARG 5 1.395 1.632 -7.170
57 H VAL 6 H VAL 6 -5.018 2.054 -1.512
58 HA VAL 6 HA VAL 6 -5.858 3.221 0.282
59 HB VAL 6 HB VAL 6 -3.886 1.515 1.750
60 1HG1 VAL 6 1HG1 VAL 6 -6.015 1.698 3.419
61 2HG1 VAL 6 2HG1 VAL 6 -6.102 3.267 2.619
62 3HG1 VAL 6 3HG1 VAL 6 -4.633 2.794 3.473
63 1HG2 VAL 6 1HG2 VAL 6 -6.713 0.893 0.907
64 2HG2 VAL 6 2HG2 VAL 6 -5.767 -0.091 2.025
65 3HG2 VAL 6 3HG2 VAL 6 -5.233 0.107 0.356
66 H TYR 7 H TYR 7 -3.381 4.119 -1.050
67 HA TYR 7 HA TYR 7 -1.888 5.421 1.079
68 1HB TYR 7 2HB TYR 7 -0.194 5.434 -0.412
69 2HB TYR 7 1HB TYR 7 -1.158 4.162 -1.157
70 HD1 TYR 7 1HD TYR 7 0.770 6.832 -2.025
71 HD2 TYR 7 2HD TYR 7 -3.232 5.475 -2.676
72 HE1 TYR 7 1HE TYR 7 0.672 8.119 -4.110
73 HE2 TYR 7 2HE TYR 7 -3.310 6.750 -4.769
74 HH TYR 7 HH TYR 7 -1.365 9.170 -5.533
75 H TYR 8 H TYR 8 -3.988 6.077 -1.543
76 HA TYR 8 HA TYR 8 -4.809 7.926 -2.512
77 1HB TYR 8 2HB TYR 8 -5.497 9.581 -0.518
78 2HB TYR 8 1HB TYR 8 -6.360 8.124 -0.985
79 HD1 TYR 8 1HD TYR 8 -6.449 6.207 0.419
80 HD2 TYR 8 2HD TYR 8 -4.070 9.549 1.558
81 HE1 TYR 8 1HE TYR 8 -6.195 5.258 2.672
82 HE2 TYR 8 2HE TYR 8 -3.809 8.607 3.804
83 HH TYR 8 HH TYR 8 -4.888 7.051 5.287
84 H ARG 9 H ARG 9 -3.344 9.641 0.158
85 HA ARG 9 HA ARG 9 -1.480 10.918 -1.711
86 1HB ARG 9 2HB ARG 9 -1.756 13.042 -0.540
87 2HB ARG 9 1HB ARG 9 -3.311 12.487 -1.143
88 1HG ARG 9 2HG ARG 9 -3.930 11.720 1.068
89 2HG ARG 9 1HG ARG 9 -2.343 12.177 1.692
90 1HD ARG 9 2HD ARG 9 -4.575 13.945 0.746
91 2HD ARG 9 1HD ARG 9 -3.758 13.941 2.306
92 HE ARG 9 HE ARG 9 -2.032 15.185 1.393
93 1HH1 ARG 9 1HH1 ARG 9 -4.269 14.211 -1.108
94 2HH1 ARG 9 2HH1 ARG 9 -3.611 15.294 -2.287
95 1HH2 ARG 9 1HH2 ARG 9 -1.172 16.609 -0.159
96 2HH2 ARG 9 2HH2 ARG 9 -1.856 16.654 -1.751
97 H GLY 10 H GLY 10 -1.057 8.637 -0.159
98 1HA GLY 10 2HA GLY 10 0.648 9.570 2.047
99 2HA GLY 10 1HA GLY 10 -0.035 7.958 1.901
100 H ILE 11 H ILE 11 0.846 6.512 0.264
101 HA ILE 11 HA ILE 11 2.897 6.930 -1.462
102 HB ILE 11 HB ILE 11 4.342 7.898 0.139
103 1HG1 ILE 11 2HG1 ILE 11 6.252 6.778 -0.312
104 2HG1 ILE 11 1HG1 ILE 11 5.626 5.255 0.309
105 1HG2 ILE 11 1HG2 ILE 11 4.958 7.022 2.248
106 2HG2 ILE 11 2HG2 ILE 11 4.083 5.525 1.943
107 3HG2 ILE 11 3HG2 ILE 11 3.198 7.038 2.153
108 1HD1 ILE 11 1HD1 ILE 11 4.403 6.157 -2.182
109 2HD1 ILE 11 2HD1 ILE 11 4.972 4.567 -1.699
110 3HD1 ILE 11 3HD1 ILE 11 6.120 5.769 -2.290
111 H TYR 12 H TYR 12 1.065 5.178 -1.688
112 HA TYR 12 HA TYR 12 0.375 2.994 -1.754
113 1HB TYR 12 2HB TYR 12 3.072 3.102 -3.041
114 2HB TYR 12 1HB TYR 12 2.018 1.693 -3.173
115 HD1 TYR 12 1HD TYR 12 -0.622 2.918 -3.437
116 HD2 TYR 12 2HD TYR 12 3.088 4.070 -5.165
117 HE1 TYR 12 1HE TYR 12 -1.830 3.999 -5.278
118 HE2 TYR 12 2HE TYR 12 1.890 5.152 -7.024
119 HH TYR 12 HH TYR 12 -1.470 4.705 -7.555
120 H TYR 13 H TYR 13 3.772 2.677 -0.863
121 HA TYR 13 HA TYR 13 4.651 1.709 0.978
122 1HB TYR 13 2HB TYR 13 2.144 0.223 1.681
123 2HB TYR 13 1HB TYR 13 3.440 0.774 2.741
124 HD1 TYR 13 1HD TYR 13 0.399 1.241 3.106
125 HD2 TYR 13 2HD TYR 13 3.500 3.580 1.381
126 HE1 TYR 13 1HE TYR 13 -0.899 3.290 3.529
127 HE2 TYR 13 2HE TYR 13 2.230 5.588 1.743
128 HH TYR 13 HH TYR 13 -0.333 5.801 3.840
129 H ARG 14 H ARG 14 2.520 -0.175 -1.090
130 HA ARG 14 HA ARG 14 4.428 -1.799 -2.175
131 1HB ARG 14 2HB ARG 14 3.839 -2.597 0.537
132 2HB ARG 14 1HB ARG 14 3.401 -3.881 -0.583
133 1HG ARG 14 2HG ARG 14 6.096 -2.549 -0.392
134 2HG ARG 14 1HG ARG 14 5.677 -4.145 0.232
135 1HD ARG 14 2HD ARG 14 5.419 -3.384 -2.669
136 2HD ARG 14 1HD ARG 14 6.873 -4.110 -1.988
137 HE ARG 14 HE ARG 14 4.951 -5.839 -1.239
138 1HH1 ARG 14 1HH1 ARG 14 5.755 -4.411 -4.322
139 2HH1 ARG 14 2HH1 ARG 14 5.193 -5.768 -5.237
140 1HH2 ARG 14 1HH2 ARG 14 4.213 -7.625 -2.444
141 2HH2 ARG 14 2HH2 ARG 14 4.316 -7.592 -4.173
142 H ARG 15 H ARG 15 3.543 -3.760 -3.255
143 HA ARG 15 HA ARG 15 0.659 -3.989 -3.393
144 1HB ARG 15 2HB ARG 15 0.705 -3.705 -5.913
145 2HB ARG 15 1HB ARG 15 0.852 -2.234 -4.964
146 1HG ARG 15 2HG ARG 15 3.241 -2.188 -5.342
147 2HG ARG 15 1HG ARG 15 3.152 -3.718 -6.217
148 1HD ARG 15 2HD ARG 15 1.267 -2.019 -7.420
149 2HD ARG 15 1HD ARG 15 2.714 -1.043 -7.172
150 HE ARG 15 HE ARG 15 2.401 -3.273 -8.974
151 1HH1 ARG 15 1HH1 ARG 15 4.663 -1.253 -7.245
152 2HH1 ARG 15 2HH1 ARG 15 5.977 -1.593 -8.317
153 1HH2 ARG 15 1HH2 ARG 15 4.131 -3.722 -10.384
154 2HH2 ARG 15 2HH2 ARG 15 5.677 -2.995 -10.099
155 H TYR 16 H TYR 16 0.494 -6.119 -3.112
156 HA TYR 16 HA TYR 16 2.242 -7.872 -4.706
157 1HB TYR 16 2HB TYR 16 2.427 -9.350 -2.950
158 2HB TYR 16 1HB TYR 16 2.279 -7.841 -2.063
159 HD1 TYR 16 1HD TYR 16 -0.760 -7.527 -2.508
160 HD2 TYR 16 2HD TYR 16 1.644 -10.799 -1.238
161 HE1 TYR 16 1HE TYR 16 -2.679 -8.455 -1.288
162 HE2 TYR 16 2HE TYR 16 -0.269 -11.736 -0.010
163 HH TYR 16 HH TYR 16 -3.462 -10.566 -0.410
164 H ARG 17 H ARG 17 0.806 -10.260 -4.194
165 HA ARG 17 HA ARG 17 -0.858 -11.523 -5.079
166 1HB ARG 17 2HB ARG 17 -2.393 -10.642 -3.575
167 2HB ARG 17 1HB ARG 17 -2.271 -9.021 -4.237
168 1HG ARG 17 2HG ARG 17 -3.490 -11.219 -5.857
169 2HG ARG 17 1HG ARG 17 -4.428 -10.393 -4.610
170 1HD ARG 17 2HD ARG 17 -2.975 -8.541 -6.310
171 2HD ARG 17 1HD ARG 17 -4.078 -9.565 -7.229
172 HE ARG 17 HE ARG 17 -5.576 -8.694 -5.129
173 1HH1 ARG 17 1HH1 ARG 17 -3.679 -7.107 -7.591
174 2HH1 ARG 17 2HH1 ARG 17 -4.672 -5.687 -7.616
175 1HH2 ARG 17 1HH2 ARG 17 -6.881 -6.828 -5.161
176 2HH2 ARG 17 2HH2 ARG 17 -6.489 -5.529 -6.238
Start of MODEL 26
1 1H LYS 1 1HT LYS 1 -6.010 -6.173 10.119
2 2H LYS 1 2HT LYS 1 -7.597 -5.789 10.648
3 3H LYS 1 3HT LYS 1 -6.312 -4.679 10.906
4 HA LYS 1 HA LYS 1 -7.177 -5.557 8.241
5 1HB LYS 1 2HB LYS 1 -8.839 -4.289 9.914
6 2HB LYS 1 1HB LYS 1 -7.932 -2.897 9.341
7 1HG LYS 1 2HG LYS 1 -9.324 -4.875 7.550
8 2HG LYS 1 1HG LYS 1 -10.008 -3.333 8.067
9 1HD LYS 1 2HD LYS 1 -7.416 -3.635 6.556
10 2HD LYS 1 1HD LYS 1 -8.970 -3.255 5.811
11 1HE LYS 1 2HE LYS 1 -9.086 -1.262 7.355
12 2HE LYS 1 1HE LYS 1 -7.409 -1.601 7.783
13 1HZ LYS 1 1HZ LYS 1 -7.012 -0.208 6.080
14 2HZ LYS 1 2HZ LYS 1 -8.507 -0.483 5.339
15 3HZ LYS 1 3HZ LYS 1 -7.246 -1.590 5.130
16 H TRP 2 H TRP 2 -5.309 -5.331 7.144
17 HA TRP 2 HA TRP 2 -3.245 -3.540 7.780
18 1HB TRP 2 2HB TRP 2 -2.303 -4.196 5.636
19 2HB TRP 2 1HB TRP 2 -2.986 -5.603 6.440
20 HD1 TRP 2 HD TRP 2 -5.966 -4.126 5.270
21 HE1 TRP 2 1HE TRP 2 -6.634 -4.976 2.947
22 HE3 TRP 2 3HE TRP 2 -1.522 -6.145 3.855
23 HZ2 TRP 2 2HZ TRP 2 -5.436 -6.341 0.773
24 HZ3 TRP 2 3HZ TRP 2 -1.348 -7.211 1.639
25 HH2 TRP 2 HH TRP 2 -3.267 -7.306 0.129
26 H TYR 3 H TYR 3 -2.929 -2.612 4.897
27 HA TYR 3 HA TYR 3 -5.008 -0.578 4.713
28 1HB TYR 3 2HB TYR 3 -3.192 1.187 4.444
29 2HB TYR 3 1HB TYR 3 -3.462 0.589 6.077
30 HD1 TYR 3 1HD TYR 3 -1.738 -1.618 3.781
31 HD2 TYR 3 2HD TYR 3 -1.211 1.480 6.648
32 HE1 TYR 3 1HE TYR 3 0.641 -2.204 3.967
33 HE2 TYR 3 2HE TYR 3 1.170 0.904 6.840
34 HH TYR 3 HH TYR 3 2.904 -0.207 5.598
35 H PHE 4 H PHE 4 -3.456 -2.903 3.148
36 HA PHE 4 HA PHE 4 -2.463 -3.126 1.035
37 1HB PHE 4 2HB PHE 4 -4.282 -3.302 -0.550
38 2HB PHE 4 1HB PHE 4 -4.808 -3.869 1.025
39 HD1 PHE 4 1HD PHE 4 -5.642 -1.552 2.465
40 HD2 PHE 4 2HD PHE 4 -6.025 -2.386 -1.690
41 HE1 PHE 4 1HE PHE 4 -7.612 -0.083 2.353
42 HE2 PHE 4 2HE PHE 4 -7.987 -0.908 -1.812
43 HZ PHE 4 HZ PHE 4 -8.784 0.245 0.213
44 H ARG 5 H ARG 5 -3.954 -1.528 -1.239
45 HA ARG 5 HA ARG 5 -1.864 0.222 -1.797
46 1HB ARG 5 2HB ARG 5 -4.709 0.197 -2.790
47 2HB ARG 5 1HB ARG 5 -3.492 1.309 -3.406
48 1HG ARG 5 2HG ARG 5 -3.458 -1.701 -3.574
49 2HG ARG 5 1HG ARG 5 -3.690 -0.560 -4.899
50 1HD ARG 5 2HD ARG 5 -1.418 0.311 -4.512
51 2HD ARG 5 1HD ARG 5 -1.194 -0.887 -3.238
52 HE ARG 5 HE ARG 5 -0.968 -1.314 -6.043
53 1HH1 ARG 5 1HH1 ARG 5 -1.900 -2.853 -3.054
54 2HH1 ARG 5 2HH1 ARG 5 -1.560 -4.452 -3.625
55 1HH2 ARG 5 1HH2 ARG 5 -0.521 -3.417 -6.797
56 2HH2 ARG 5 2HH2 ARG 5 -0.777 -4.773 -5.751
57 H VAL 6 H VAL 6 -5.121 1.429 -1.331
58 HA VAL 6 HA VAL 6 -5.935 3.304 -0.354
59 HB VAL 6 HB VAL 6 -3.768 2.594 1.616
60 1HG1 VAL 6 1HG1 VAL 6 -3.952 4.758 2.277
61 2HG1 VAL 6 2HG1 VAL 6 -5.397 4.144 3.082
62 3HG1 VAL 6 3HG1 VAL 6 -5.535 4.966 1.528
63 1HG2 VAL 6 1HG2 VAL 6 -6.765 2.299 1.682
64 2HG2 VAL 6 2HG2 VAL 6 -5.663 1.862 2.988
65 3HG2 VAL 6 3HG2 VAL 6 -5.584 1.013 1.446
66 H TYR 7 H TYR 7 -2.536 3.676 0.377
67 HA TYR 7 HA TYR 7 -1.149 5.484 0.189
68 1HB TYR 7 2HB TYR 7 -0.292 5.071 -1.812
69 2HB TYR 7 1HB TYR 7 -1.787 4.282 -2.283
70 HD1 TYR 7 1HD TYR 7 0.221 7.322 -2.538
71 HD2 TYR 7 2HD TYR 7 -3.508 5.492 -3.533
72 HE1 TYR 7 1HE TYR 7 -0.164 9.049 -4.235
73 HE2 TYR 7 2HE TYR 7 -3.891 7.227 -5.248
74 HH TYR 7 HH TYR 7 -1.905 8.933 -6.636
75 H TYR 8 H TYR 8 -3.880 6.289 -1.939
76 HA TYR 8 HA TYR 8 -4.788 8.284 -2.473
77 1HB TYR 8 2HB TYR 8 -6.166 9.113 -0.710
78 2HB TYR 8 1HB TYR 8 -6.062 7.361 -0.624
79 HD1 TYR 8 1HD TYR 8 -4.029 6.552 1.061
80 HD2 TYR 8 2HD TYR 8 -6.156 10.236 1.286
81 HE1 TYR 8 1HE TYR 8 -3.495 6.698 3.437
82 HE2 TYR 8 2HE TYR 8 -5.602 10.404 3.675
83 HH TYR 8 HH TYR 8 -4.781 8.072 5.540
84 H ARG 9 H ARG 9 -3.362 9.340 0.566
85 HA ARG 9 HA ARG 9 -1.731 11.238 -0.949
86 1HB ARG 9 2HB ARG 9 -2.131 12.962 0.750
87 2HB ARG 9 1HB ARG 9 -3.653 12.462 0.026
88 1HG ARG 9 2HG ARG 9 -4.462 11.688 1.961
89 2HG ARG 9 1HG ARG 9 -2.924 10.958 2.426
90 1HD ARG 9 2HD ARG 9 -2.109 12.984 3.304
91 2HD ARG 9 1HD ARG 9 -3.368 13.928 2.507
92 HE ARG 9 HE ARG 9 -4.733 13.518 4.287
93 1HH1 ARG 9 1HH1 ARG 9 -2.153 11.168 4.311
94 2HH1 ARG 9 2HH1 ARG 9 -2.615 10.490 5.835
95 1HH2 ARG 9 1HH2 ARG 9 -5.345 12.626 6.291
96 2HH2 ARG 9 2HH2 ARG 9 -4.428 11.317 6.960
97 H GLY 10 H GLY 10 -1.064 8.741 -0.125
98 1HA GLY 10 2HA GLY 10 0.690 9.147 2.197
99 2HA GLY 10 1HA GLY 10 0.023 7.598 1.678
100 H ILE 11 H ILE 11 1.190 6.357 0.394
101 HA ILE 11 HA ILE 11 2.845 7.115 -1.677
102 HB ILE 11 HB ILE 11 4.158 8.062 0.325
103 1HG1 ILE 11 2HG1 ILE 11 5.602 8.234 -1.384
104 2HG1 ILE 11 1HG1 ILE 11 6.311 6.733 -0.805
105 1HG2 ILE 11 1HG2 ILE 11 3.893 5.672 1.446
106 2HG2 ILE 11 2HG2 ILE 11 5.223 6.770 1.810
107 3HG2 ILE 11 3HG2 ILE 11 5.458 5.451 0.663
108 1HD1 ILE 11 1HD1 ILE 11 4.135 6.935 -2.884
109 2HD1 ILE 11 2HD1 ILE 11 4.944 5.462 -2.346
110 3HD1 ILE 11 3HD1 ILE 11 5.853 6.701 -3.211
111 H TYR 12 H TYR 12 1.354 5.292 -2.084
112 HA TYR 12 HA TYR 12 0.855 2.955 -1.625
113 1HB TYR 12 2HB TYR 12 2.771 3.513 -3.875
114 2HB TYR 12 1HB TYR 12 2.062 1.915 -3.639
115 HD1 TYR 12 1HD TYR 12 1.704 4.748 -5.505
116 HD2 TYR 12 2HD TYR 12 -0.606 2.191 -3.019
117 HE1 TYR 12 1HE TYR 12 -0.345 5.473 -6.669
118 HE2 TYR 12 2HE TYR 12 -2.657 2.914 -4.147
119 HH TYR 12 HH TYR 12 -3.302 3.871 -6.353
120 H TYR 13 H TYR 13 1.541 2.244 0.275
121 HA TYR 13 HA TYR 13 4.228 1.741 0.960
122 1HB TYR 13 2HB TYR 13 1.967 0.355 2.343
123 2HB TYR 13 1HB TYR 13 3.406 1.114 3.027
124 HD1 TYR 13 1HD TYR 13 0.205 1.462 3.493
125 HD2 TYR 13 2HD TYR 13 3.295 3.756 1.656
126 HE1 TYR 13 1HE TYR 13 -1.084 3.519 3.872
127 HE2 TYR 13 2HE TYR 13 2.022 5.774 2.024
128 HH TYR 13 HH TYR 13 0.152 6.506 3.793
129 H ARG 14 H ARG 14 5.419 0.240 -0.054
130 HA ARG 14 HA ARG 14 4.591 -1.889 -1.565
131 1HB ARG 14 2HB ARG 14 7.088 -1.122 -0.229
132 2HB ARG 14 1HB ARG 14 6.938 -2.848 -0.523
133 1HG ARG 14 2HG ARG 14 6.720 -0.669 -2.589
134 2HG ARG 14 1HG ARG 14 8.088 -1.758 -2.355
135 1HD ARG 14 2HD ARG 14 7.068 -2.965 -3.963
136 2HD ARG 14 1HD ARG 14 6.085 -3.545 -2.619
137 HE ARG 14 HE ARG 14 4.293 -2.398 -3.473
138 1HH1 ARG 14 1HH1 ARG 14 7.208 -1.291 -5.043
139 2HH1 ARG 14 2HH1 ARG 14 6.363 -0.348 -6.223
140 1HH2 ARG 14 1HH2 ARG 14 3.181 -1.157 -5.023
141 2HH2 ARG 14 2HH2 ARG 14 4.076 -0.270 -6.211
142 H ARG 15 H ARG 15 3.790 -3.859 -1.225
143 HA ARG 15 HA ARG 15 2.762 -4.642 1.249
144 1HB ARG 15 2HB ARG 15 3.295 -6.143 -1.304
145 2HB ARG 15 1HB ARG 15 2.607 -6.944 0.103
146 1HG ARG 15 2HG ARG 15 1.293 -4.443 -0.746
147 2HG ARG 15 1HG ARG 15 1.133 -5.826 -1.830
148 1HD ARG 15 2HD ARG 15 -0.662 -5.543 -0.050
149 2HD ARG 15 1HD ARG 15 0.087 -7.134 -0.185
150 HE ARG 15 HE ARG 15 1.003 -6.855 1.904
151 1HH1 ARG 15 1HH1 ARG 15 -0.283 -3.806 0.794
152 2HH1 ARG 15 2HH1 ARG 15 -0.109 -3.031 2.333
153 1HH2 ARG 15 1HH2 ARG 15 1.238 -5.837 3.925
154 2HH2 ARG 15 2HH2 ARG 15 0.756 -4.183 4.111
155 H TYR 16 H TYR 16 3.311 -6.498 2.567
156 HA TYR 16 HA TYR 16 6.070 -7.423 2.393
157 1HB TYR 16 2HB TYR 16 6.793 -6.614 4.428
158 2HB TYR 16 1HB TYR 16 5.748 -5.296 3.916
159 HD1 TYR 16 1HD TYR 16 6.700 -6.296 6.767
160 HD2 TYR 16 2HD TYR 16 3.089 -6.659 4.545
161 HE1 TYR 16 1HE TYR 16 5.438 -6.509 8.865
162 HE2 TYR 16 2HE TYR 16 1.818 -6.876 6.637
163 HH TYR 16 HH TYR 16 2.764 -5.963 9.467
164 H ARG 17 H ARG 17 6.153 -8.684 4.909
165 HA ARG 17 HA ARG 17 5.633 -10.682 5.862
166 1HB ARG 17 2HB ARG 17 3.403 -9.098 6.030
167 2HB ARG 17 1HB ARG 17 2.758 -10.544 5.261
168 1HG ARG 17 2HG ARG 17 2.769 -11.652 7.178
169 2HG ARG 17 1HG ARG 17 4.466 -11.257 7.460
170 1HD ARG 17 2HD ARG 17 2.621 -9.022 7.884
171 2HD ARG 17 1HD ARG 17 2.370 -10.381 8.976
172 HE ARG 17 HE ARG 17 5.118 -9.570 8.747
173 1HH1 ARG 17 1HH1 ARG 17 2.098 -9.017 10.409
174 2HH1 ARG 17 2HH1 ARG 17 2.851 -8.336 11.811
175 1HH2 ARG 17 1HH2 ARG 17 6.109 -8.674 10.593
176 2HH2 ARG 17 2HH2 ARG 17 5.129 -8.141 11.916
Start of MODEL 27
1 1H LYS 1 1HT LYS 1 -2.925 -9.509 6.456
2 2H LYS 1 2HT LYS 1 -2.595 -10.384 5.018
3 3H LYS 1 3HT LYS 1 -3.757 -10.974 6.135
4 HA LYS 1 HA LYS 1 -4.481 -9.766 4.012
5 1HB LYS 1 2HB LYS 1 -6.404 -8.790 5.419
6 2HB LYS 1 1HB LYS 1 -6.111 -10.521 5.519
7 1HG LYS 1 2HG LYS 1 -4.565 -9.619 7.557
8 2HG LYS 1 1HG LYS 1 -5.877 -8.441 7.574
9 1HD LYS 1 2HD LYS 1 -6.437 -10.271 9.038
10 2HD LYS 1 1HD LYS 1 -7.498 -10.314 7.628
11 1HE LYS 1 2HE LYS 1 -6.922 -12.472 7.491
12 2HE LYS 1 1HE LYS 1 -5.405 -11.875 6.819
13 1HZ LYS 1 1HZ LYS 1 -4.281 -12.327 8.713
14 2HZ LYS 1 2HZ LYS 1 -5.499 -13.486 8.900
15 3HZ LYS 1 3HZ LYS 1 -5.600 -12.014 9.726
16 H TRP 2 H TRP 2 -2.641 -8.279 3.520
17 HA TRP 2 HA TRP 2 -2.274 -5.815 4.779
18 1HB TRP 2 2HB TRP 2 -0.925 -5.323 2.893
19 2HB TRP 2 1HB TRP 2 -0.825 -7.069 3.081
20 HD1 TRP 2 HD TRP 2 -3.839 -7.415 1.676
21 HE1 TRP 2 1HE TRP 2 -3.892 -7.289 -0.875
22 HE3 TRP 2 3HE TRP 2 0.589 -5.119 0.927
23 HZ2 TRP 2 2HZ TRP 2 -2.242 -6.332 -2.986
24 HZ3 TRP 2 3HZ TRP 2 1.315 -4.600 -1.379
25 HH2 TRP 2 HH TRP 2 -0.075 -5.207 -3.298
26 H TYR 3 H TYR 3 -2.466 -4.215 2.270
27 HA TYR 3 HA TYR 3 -5.341 -3.648 2.338
28 1HB TYR 3 2HB TYR 3 -4.321 -1.373 1.313
29 2HB TYR 3 1HB TYR 3 -4.540 -1.630 3.040
30 HD1 TYR 3 1HD TYR 3 -2.226 -0.790 0.490
31 HD2 TYR 3 2HD TYR 3 -2.515 -2.663 4.302
32 HE1 TYR 3 1HE TYR 3 0.191 -0.471 0.834
33 HE2 TYR 3 2HE TYR 3 -0.105 -2.343 4.655
34 HH TYR 3 HH TYR 3 2.019 -1.565 2.205
35 H PHE 4 H PHE 4 -3.028 -2.419 0.010
36 HA PHE 4 HA PHE 4 -3.160 -4.146 -2.050
37 1HB PHE 4 2HB PHE 4 -5.069 -3.063 -3.452
38 2HB PHE 4 1HB PHE 4 -5.450 -4.311 -2.278
39 HD1 PHE 4 1HD PHE 4 -5.183 -0.547 -2.378
40 HD2 PHE 4 2HD PHE 4 -7.286 -3.970 -0.969
41 HE1 PHE 4 1HE PHE 4 -6.857 0.907 -1.420
42 HE2 PHE 4 2HE PHE 4 -8.982 -2.496 0.034
43 HZ PHE 4 HZ PHE 4 -8.775 -0.050 -0.191
44 H ARG 5 H ARG 5 -3.934 -0.741 -1.567
45 HA ARG 5 HA ARG 5 -1.633 0.284 -2.837
46 1HB ARG 5 2HB ARG 5 -3.918 1.276 -4.322
47 2HB ARG 5 1HB ARG 5 -2.366 0.738 -4.936
48 1HG ARG 5 2HG ARG 5 -4.177 -1.423 -4.133
49 2HG ARG 5 1HG ARG 5 -4.785 -0.408 -5.426
50 1HD ARG 5 2HD ARG 5 -3.268 -2.528 -5.904
51 2HD ARG 5 1HD ARG 5 -3.207 -1.081 -6.906
52 HE ARG 5 HE ARG 5 -1.324 -0.954 -4.773
53 1HH1 ARG 5 1HH1 ARG 5 -1.885 -2.376 -7.908
54 2HH1 ARG 5 2HH1 ARG 5 -0.200 -2.554 -8.268
55 1HH2 ARG 5 1HH2 ARG 5 0.891 -1.186 -5.240
56 2HH2 ARG 5 2HH2 ARG 5 1.376 -1.878 -6.753
57 H VAL 6 H VAL 6 -3.328 0.511 -0.445
58 HA VAL 6 HA VAL 6 -4.781 2.944 -0.544
59 HB VAL 6 HB VAL 6 -3.615 1.386 1.695
60 1HG1 VAL 6 1HG1 VAL 6 -5.763 2.626 2.812
61 2HG1 VAL 6 2HG1 VAL 6 -5.202 3.860 1.682
62 3HG1 VAL 6 3HG1 VAL 6 -4.107 3.228 2.913
63 1HG2 VAL 6 1HG2 VAL 6 -5.850 0.429 1.992
64 2HG2 VAL 6 2HG2 VAL 6 -5.199 0.093 0.388
65 3HG2 VAL 6 3HG2 VAL 6 -6.417 1.351 0.599
66 H TYR 7 H TYR 7 -4.106 4.955 -0.308
67 HA TYR 7 HA TYR 7 -1.922 5.619 1.370
68 1HB TYR 7 2HB TYR 7 -0.239 5.929 -0.098
69 2HB TYR 7 1HB TYR 7 -1.073 4.563 -0.821
70 HD1 TYR 7 1HD TYR 7 -1.180 4.639 -3.057
71 HD2 TYR 7 2HD TYR 7 -1.413 8.343 -1.011
72 HE1 TYR 7 1HE TYR 7 -1.346 5.797 -5.220
73 HE2 TYR 7 2HE TYR 7 -1.563 9.523 -3.165
74 HH TYR 7 HH TYR 7 -0.770 8.219 -6.049
75 H TYR 8 H TYR 8 -4.173 6.565 -1.058
76 HA TYR 8 HA TYR 8 -5.336 8.498 -1.445
77 1HB TYR 8 2HB TYR 8 -4.844 10.106 0.798
78 2HB TYR 8 1HB TYR 8 -6.259 9.102 0.509
79 HD1 TYR 8 1HD TYR 8 -3.473 9.710 2.618
80 HD2 TYR 8 2HD TYR 8 -6.073 6.618 1.281
81 HE1 TYR 8 1HE TYR 8 -2.803 8.336 4.533
82 HE2 TYR 8 2HE TYR 8 -5.419 5.229 3.206
83 HH TYR 8 HH TYR 8 -2.765 6.037 5.232
84 H ARG 9 H ARG 9 -2.928 9.928 0.629
85 HA ARG 9 HA ARG 9 -1.770 11.364 -1.666
86 1HB ARG 9 2HB ARG 9 -1.271 13.202 -0.014
87 2HB ARG 9 1HB ARG 9 -2.977 12.977 -0.373
88 1HG ARG 9 2HG ARG 9 -3.311 11.811 1.706
89 2HG ARG 9 1HG ARG 9 -1.582 11.866 2.052
90 1HD ARG 9 2HD ARG 9 -3.513 14.173 1.918
91 2HD ARG 9 1HD ARG 9 -2.626 13.590 3.325
92 HE ARG 9 HE ARG 9 -1.680 15.392 1.330
93 1HH1 ARG 9 1HH1 ARG 9 -0.669 12.887 3.539
94 2HH1 ARG 9 2HH1 ARG 9 0.955 13.476 3.660
95 1HH2 ARG 9 1HH2 ARG 9 0.456 16.166 1.486
96 2HH2 ARG 9 2HH2 ARG 9 1.594 15.337 2.496
97 H GLY 10 H GLY 10 -1.329 9.171 0.796
98 1HA GLY 10 2HA GLY 10 1.283 9.674 1.691
99 2HA GLY 10 1HA GLY 10 0.428 8.142 1.752
100 H ILE 11 H ILE 11 0.868 6.586 0.343
101 HA ILE 11 HA ILE 11 1.801 6.580 -2.155
102 HB ILE 11 HB ILE 11 3.680 8.000 -1.257
103 1HG1 ILE 11 2HG1 ILE 11 4.041 7.261 -3.409
104 2HG1 ILE 11 1HG1 ILE 11 5.419 6.541 -2.579
105 1HG2 ILE 11 1HG2 ILE 11 5.060 7.309 0.324
106 2HG2 ILE 11 2HG2 ILE 11 5.398 5.818 -0.551
107 3HG2 ILE 11 3HG2 ILE 11 4.023 5.905 0.545
108 1HD1 ILE 11 1HD1 ILE 11 4.396 4.933 -4.061
109 2HD1 ILE 11 2HD1 ILE 11 2.830 5.167 -3.268
110 3HD1 ILE 11 3HD1 ILE 11 4.175 4.448 -2.379
111 H TYR 12 H TYR 12 0.464 4.793 -1.693
112 HA TYR 12 HA TYR 12 -0.073 2.623 -1.223
113 1HB TYR 12 2HB TYR 12 2.415 2.543 -2.868
114 2HB TYR 12 1HB TYR 12 1.526 1.072 -2.481
115 HD1 TYR 12 1HD TYR 12 -1.154 2.885 -2.556
116 HD2 TYR 12 2HD TYR 12 1.977 1.980 -5.278
117 HE1 TYR 12 1HE TYR 12 -2.673 3.353 -4.412
118 HE2 TYR 12 2HE TYR 12 0.467 2.431 -7.168
119 HH TYR 12 HH TYR 12 -2.374 4.072 -6.901
120 H TYR 13 H TYR 13 3.426 2.393 -0.810
121 HA TYR 13 HA TYR 13 4.579 1.819 1.065
122 1HB TYR 13 2HB TYR 13 2.195 0.733 2.506
123 2HB TYR 13 1HB TYR 13 3.645 1.486 3.166
124 HD1 TYR 13 1HD TYR 13 3.710 3.862 1.395
125 HD2 TYR 13 2HD TYR 13 0.495 2.084 3.526
126 HE1 TYR 13 1HE TYR 13 2.549 5.986 1.353
127 HE2 TYR 13 2HE TYR 13 -0.681 4.241 3.552
128 HH TYR 13 HH TYR 13 0.334 6.898 3.319
129 H ARG 14 H ARG 14 4.792 -0.378 2.467
130 HA ARG 14 HA ARG 14 3.964 -2.679 0.887
131 1HB ARG 14 2HB ARG 14 6.393 -3.519 0.980
132 2HB ARG 14 1HB ARG 14 5.989 -2.308 -0.230
133 1HG ARG 14 2HG ARG 14 8.040 -1.633 0.678
134 2HG ARG 14 1HG ARG 14 6.833 -0.580 1.417
135 1HD ARG 14 2HD ARG 14 7.212 -2.980 2.976
136 2HD ARG 14 1HD ARG 14 8.742 -2.142 2.722
137 HE ARG 14 HE ARG 14 6.958 -0.194 3.474
138 1HH1 ARG 14 1HH1 ARG 14 8.160 -3.162 4.863
139 2HH1 ARG 14 2HH1 ARG 14 7.978 -2.616 6.497
140 1HH2 ARG 14 1HH2 ARG 14 6.717 0.524 5.621
141 2HH2 ARG 14 2HH2 ARG 14 7.158 -0.523 6.928
142 H ARG 15 H ARG 15 3.999 -4.631 2.015
143 HA ARG 15 HA ARG 15 4.161 -4.317 4.919
144 1HB ARG 15 2HB ARG 15 2.848 -6.356 3.134
145 2HB ARG 15 1HB ARG 15 3.028 -6.616 4.863
146 1HG ARG 15 2HG ARG 15 1.772 -4.090 3.914
147 2HG ARG 15 1HG ARG 15 0.837 -5.585 3.870
148 1HD ARG 15 2HD ARG 15 0.507 -4.301 5.953
149 2HD ARG 15 1HD ARG 15 1.160 -5.912 6.235
150 HE ARG 15 HE ARG 15 2.567 -3.370 6.561
151 1HH1 ARG 15 1HH1 ARG 15 2.628 -6.862 6.756
152 2HH1 ARG 15 2HH1 ARG 15 4.061 -6.900 7.726
153 1HH2 ARG 15 1HH2 ARG 15 4.446 -3.432 7.836
154 2HH2 ARG 15 2HH2 ARG 15 5.092 -4.959 8.339
155 H TYR 16 H TYR 16 4.806 -7.078 2.764
156 HA TYR 16 HA TYR 16 7.352 -7.480 4.192
157 1HB TYR 16 2HB TYR 16 7.001 -9.935 3.840
158 2HB TYR 16 1HB TYR 16 5.835 -9.193 4.932
159 HD1 TYR 16 1HD TYR 16 6.316 -10.575 1.546
160 HD2 TYR 16 2HD TYR 16 3.508 -9.136 4.399
161 HE1 TYR 16 1HE TYR 16 4.478 -11.471 0.179
162 HE2 TYR 16 2HE TYR 16 1.661 -10.029 3.041
163 HH TYR 16 HH TYR 16 1.558 -12.078 1.194
164 H ARG 17 H ARG 17 5.565 -8.018 1.182
165 HA ARG 17 HA ARG 17 8.082 -8.479 -0.236
166 1HB ARG 17 2HB ARG 17 6.698 -9.188 -2.110
167 2HB ARG 17 1HB ARG 17 6.235 -10.047 -0.648
168 1HG ARG 17 2HG ARG 17 4.185 -9.103 -0.575
169 2HG ARG 17 1HG ARG 17 4.745 -7.570 -1.247
170 1HD ARG 17 2HD ARG 17 3.381 -8.489 -2.917
171 2HD ARG 17 1HD ARG 17 5.027 -8.828 -3.445
172 HE ARG 17 HE ARG 17 4.600 -11.065 -3.222
173 1HH1 ARG 17 1HH1 ARG 17 2.132 -9.274 -1.528
174 2HH1 ARG 17 2HH1 ARG 17 1.157 -10.670 -1.214
175 1HH2 ARG 17 1HH2 ARG 17 3.321 -12.903 -2.810
176 2HH2 ARG 17 2HH2 ARG 17 1.832 -12.731 -1.943
Start of MODEL 28
1 1H LYS 1 1HT LYS 1 -2.167 -6.265 11.417
2 2H LYS 1 2HT LYS 1 -1.893 -4.656 10.885
3 3H LYS 1 3HT LYS 1 -0.661 -5.838 10.719
4 HA LYS 1 HA LYS 1 -1.693 -6.902 9.033
5 1HB LYS 1 2HB LYS 1 -4.023 -6.858 8.608
6 2HB LYS 1 1HB LYS 1 -3.863 -6.956 10.355
7 1HG LYS 1 2HG LYS 1 -4.312 -4.367 8.892
8 2HG LYS 1 1HG LYS 1 -5.620 -5.383 9.493
9 1HD LYS 1 2HD LYS 1 -5.409 -4.488 11.514
10 2HD LYS 1 1HD LYS 1 -3.730 -5.024 11.593
11 1HE LYS 1 2HE LYS 1 -4.130 -2.543 11.888
12 2HE LYS 1 1HE LYS 1 -2.938 -3.000 10.671
13 1HZ LYS 1 1HZ LYS 1 -4.802 -1.247 10.165
14 2HZ LYS 1 2HZ LYS 1 -5.712 -2.630 9.812
15 3HZ LYS 1 3HZ LYS 1 -4.274 -2.329 8.974
16 H TRP 2 H TRP 2 -1.267 -6.189 7.015
17 HA TRP 2 HA TRP 2 -0.792 -3.397 6.611
18 1HB TRP 2 2HB TRP 2 0.368 -4.129 4.690
19 2HB TRP 2 1HB TRP 2 0.625 -5.409 5.870
20 HD1 TRP 2 HD TRP 2 -1.498 -7.446 5.570
21 HE1 TRP 2 1HE TRP 2 -2.135 -8.539 3.333
22 HE3 TRP 2 3HE TRP 2 0.386 -3.968 2.487
23 HZ2 TRP 2 2HZ TRP 2 -1.848 -7.972 0.554
24 HZ3 TRP 2 3HZ TRP 2 0.200 -4.258 0.027
25 HH2 TRP 2 HH TRP 2 -0.902 -6.233 -0.912
26 H TYR 3 H TYR 3 -1.390 -3.576 3.718
27 HA TYR 3 HA TYR 3 -4.238 -3.958 3.529
28 1HB TYR 3 2HB TYR 3 -4.155 -1.416 2.515
29 2HB TYR 3 1HB TYR 3 -4.766 -1.853 4.101
30 HD1 TYR 3 1HD TYR 3 -4.203 -0.146 5.550
31 HD2 TYR 3 2HD TYR 3 -1.263 -1.565 2.823
32 HE1 TYR 3 1HE TYR 3 -2.527 1.305 6.614
33 HE2 TYR 3 2HE TYR 3 0.423 -0.117 3.878
34 HH TYR 3 HH TYR 3 0.712 0.956 6.238
35 H PHE 4 H PHE 4 -2.622 -1.650 1.497
36 HA PHE 4 HA PHE 4 -1.400 -3.082 -0.444
37 1HB PHE 4 2HB PHE 4 -3.345 -3.328 -2.147
38 2HB PHE 4 1HB PHE 4 -3.178 -4.549 -0.892
39 HD1 PHE 4 1HD PHE 4 -5.558 -5.118 -1.422
40 HD2 PHE 4 2HD PHE 4 -4.431 -1.349 0.203
41 HE1 PHE 4 1HE PHE 4 -7.888 -4.706 -0.745
42 HE2 PHE 4 2HE PHE 4 -6.738 -0.935 0.876
43 HZ PHE 4 HZ PHE 4 -8.486 -2.614 0.410
44 H ARG 5 H ARG 5 -4.069 -1.505 -1.936
45 HA ARG 5 HA ARG 5 -2.532 0.555 -3.017
46 1HB ARG 5 2HB ARG 5 -5.499 0.798 -2.680
47 2HB ARG 5 1HB ARG 5 -4.494 1.338 -4.016
48 1HG ARG 5 2HG ARG 5 -5.328 -1.479 -3.357
49 2HG ARG 5 1HG ARG 5 -5.793 -0.513 -4.758
50 1HD ARG 5 2HD ARG 5 -2.902 -0.797 -4.460
51 2HD ARG 5 1HD ARG 5 -3.737 -2.336 -4.670
52 HE ARG 5 HE ARG 5 -3.253 -0.408 -6.669
53 1HH1 ARG 5 1HH1 ARG 5 -5.735 -2.597 -5.562
54 2HH1 ARG 5 2HH1 ARG 5 -6.448 -2.779 -7.129
55 1HH2 ARG 5 1HH2 ARG 5 -4.192 -0.646 -8.731
56 2HH2 ARG 5 2HH2 ARG 5 -5.574 -1.670 -8.928
57 H VAL 6 H VAL 6 -5.383 1.267 -1.105
58 HA VAL 6 HA VAL 6 -5.860 3.049 0.237
59 HB VAL 6 HB VAL 6 -3.379 1.988 1.580
60 1HG1 VAL 6 1HG1 VAL 6 -3.644 3.916 2.761
61 2HG1 VAL 6 2HG1 VAL 6 -4.813 2.914 3.621
62 3HG1 VAL 6 3HG1 VAL 6 -5.362 4.043 2.383
63 1HG2 VAL 6 1HG2 VAL 6 -6.266 1.359 2.162
64 2HG2 VAL 6 2HG2 VAL 6 -4.837 0.598 2.861
65 3HG2 VAL 6 3HG2 VAL 6 -5.222 0.355 1.156
66 H TYR 7 H TYR 7 -2.375 3.144 0.359
67 HA TYR 7 HA TYR 7 -1.007 5.026 0.512
68 1HB TYR 7 2HB TYR 7 -0.144 4.868 -1.519
69 2HB TYR 7 1HB TYR 7 -1.572 3.986 -2.007
70 HD1 TYR 7 1HD TYR 7 -3.543 5.327 -2.963
71 HD2 TYR 7 2HD TYR 7 0.363 7.005 -2.479
72 HE1 TYR 7 1HE TYR 7 -4.053 7.036 -4.658
73 HE2 TYR 7 2HE TYR 7 -0.163 8.710 -4.159
74 HH TYR 7 HH TYR 7 -2.873 8.533 -6.198
75 H TYR 8 H TYR 8 -3.700 6.007 -1.488
76 HA TYR 8 HA TYR 8 -4.643 8.021 -1.903
77 1HB TYR 8 2HB TYR 8 -5.494 9.133 0.145
78 2HB TYR 8 1HB TYR 8 -5.793 7.398 0.092
79 HD1 TYR 8 1HD TYR 8 -3.956 10.077 1.807
80 HD2 TYR 8 2HD TYR 8 -4.689 5.889 1.634
81 HE1 TYR 8 1HE TYR 8 -2.928 9.813 4.021
82 HE2 TYR 8 2HE TYR 8 -3.666 5.615 3.851
83 HH TYR 8 HH TYR 8 -3.288 7.814 5.988
84 H ARG 9 H ARG 9 -4.005 10.376 0.088
85 HA ARG 9 HA ARG 9 -1.706 11.185 -1.449
86 1HB ARG 9 2HB ARG 9 -1.846 13.305 -0.234
87 2HB ARG 9 1HB ARG 9 -3.450 12.841 -0.790
88 1HG ARG 9 2HG ARG 9 -4.254 12.805 1.279
89 2HG ARG 9 1HG ARG 9 -2.910 11.824 1.864
90 1HD ARG 9 2HD ARG 9 -2.365 14.681 1.289
91 2HD ARG 9 1HD ARG 9 -3.346 14.315 2.707
92 HE ARG 9 HE ARG 9 -0.547 13.972 2.452
93 1HH1 ARG 9 1HH1 ARG 9 -3.375 12.493 3.867
94 2HH1 ARG 9 2HH1 ARG 9 -2.493 11.740 5.152
95 1HH2 ARG 9 1HH2 ARG 9 0.616 12.980 4.141
96 2HH2 ARG 9 2HH2 ARG 9 -0.227 12.017 5.308
97 H GLY 10 H GLY 10 -0.805 9.076 -0.514
98 1HA GLY 10 2HA GLY 10 0.815 9.743 1.849
99 2HA GLY 10 1HA GLY 10 0.127 8.149 1.586
100 H ILE 11 H ILE 11 1.094 6.717 0.227
101 HA ILE 11 HA ILE 11 2.855 7.205 -1.794
102 HB ILE 11 HB ILE 11 4.176 8.241 0.228
103 1HG1 ILE 11 2HG1 ILE 11 5.082 8.367 -1.922
104 2HG1 ILE 11 1HG1 ILE 11 6.308 7.476 -1.015
105 1HG2 ILE 11 1HG2 ILE 11 4.145 5.828 1.323
106 2HG2 ILE 11 2HG2 ILE 11 5.477 6.949 1.541
107 3HG2 ILE 11 3HG2 ILE 11 5.594 5.662 0.343
108 1HD1 ILE 11 1HD1 ILE 11 5.218 5.376 -1.810
109 2HD1 ILE 11 2HD1 ILE 11 6.002 6.341 -3.069
110 3HD1 ILE 11 3HD1 ILE 11 4.241 6.374 -2.886
111 H TYR 12 H TYR 12 1.275 5.359 -2.016
112 HA TYR 12 HA TYR 12 0.786 3.029 -1.499
113 1HB TYR 12 2HB TYR 12 2.729 3.529 -3.733
114 2HB TYR 12 1HB TYR 12 2.089 1.913 -3.431
115 HD1 TYR 12 1HD TYR 12 -0.594 2.032 -2.934
116 HD2 TYR 12 2HD TYR 12 1.629 4.695 -5.391
117 HE1 TYR 12 1HE TYR 12 -2.650 2.619 -4.134
118 HE2 TYR 12 2HE TYR 12 -0.422 5.289 -6.609
119 HH TYR 12 HH TYR 12 -3.258 3.517 -6.420
120 H TYR 13 H TYR 13 1.378 2.123 0.355
121 HA TYR 13 HA TYR 13 4.173 1.589 0.905
122 1HB TYR 13 2HB TYR 13 1.995 0.764 2.771
123 2HB TYR 13 1HB TYR 13 3.584 1.447 3.123
124 HD1 TYR 13 1HD TYR 13 3.574 3.813 1.376
125 HD2 TYR 13 2HD TYR 13 0.506 2.237 3.865
126 HE1 TYR 13 1HE TYR 13 2.585 6.002 1.490
127 HE2 TYR 13 2HE TYR 13 -0.505 4.471 4.026
128 HH TYR 13 HH TYR 13 0.575 7.003 3.735
129 H ARG 14 H ARG 14 3.873 -0.671 2.557
130 HA ARG 14 HA ARG 14 2.901 -2.798 0.795
131 1HB ARG 14 2HB ARG 14 5.623 -2.957 2.085
132 2HB ARG 14 1HB ARG 14 4.938 -4.019 0.862
133 1HG ARG 14 2HG ARG 14 5.166 -2.382 -0.826
134 2HG ARG 14 1HG ARG 14 5.519 -1.117 0.352
135 1HD ARG 14 2HD ARG 14 7.404 -3.190 0.746
136 2HD ARG 14 1HD ARG 14 7.323 -2.879 -0.988
137 HE ARG 14 HE ARG 14 8.394 -1.148 1.034
138 1HH1 ARG 14 1HH1 ARG 14 6.973 -1.272 -2.151
139 2HH1 ARG 14 2HH1 ARG 14 7.674 0.228 -2.658
140 1HH2 ARG 14 1HH2 ARG 14 9.319 0.822 0.369
141 2HH2 ARG 14 2HH2 ARG 14 9.007 1.416 -1.228
142 H ARG 15 H ARG 15 4.134 -4.868 2.443
143 HA ARG 15 HA ARG 15 2.142 -5.407 4.248
144 1HB ARG 15 2HB ARG 15 3.760 -7.079 3.544
145 2HB ARG 15 1HB ARG 15 5.045 -6.232 4.391
146 1HG ARG 15 2HG ARG 15 4.616 -7.388 6.226
147 2HG ARG 15 1HG ARG 15 2.970 -6.750 6.255
148 1HD ARG 15 2HD ARG 15 3.283 -8.838 4.270
149 2HD ARG 15 1HD ARG 15 3.732 -9.398 5.881
150 HE ARG 15 HE ARG 15 1.108 -8.856 4.936
151 1HH1 ARG 15 1HH1 ARG 15 3.116 -8.664 7.783
152 2HH1 ARG 15 2HH1 ARG 15 1.786 -8.804 8.883
153 1HH2 ARG 15 1HH2 ARG 15 -0.643 -9.041 6.384
154 2HH2 ARG 15 2HH2 ARG 15 -0.347 -9.018 8.090
155 H TYR 16 H TYR 16 4.855 -3.272 4.649
156 HA TYR 16 HA TYR 16 3.886 -2.640 7.350
157 1HB TYR 16 2HB TYR 16 6.108 -2.446 8.213
158 2HB TYR 16 1HB TYR 16 5.995 -4.012 7.417
159 HD1 TYR 16 1HD TYR 16 6.900 -4.167 5.009
160 HD2 TYR 16 2HD TYR 16 7.814 -0.960 7.650
161 HE1 TYR 16 1HE TYR 16 8.873 -3.615 3.647
162 HE2 TYR 16 2HE TYR 16 9.788 -0.399 6.296
163 HH TYR 16 HH TYR 16 10.383 -0.861 3.630
164 H ARG 17 H ARG 17 5.907 -1.519 4.646
165 HA ARG 17 HA ARG 17 4.650 1.078 4.753
166 1HB ARG 17 2HB ARG 17 7.533 0.672 5.506
167 2HB ARG 17 1HB ARG 17 6.975 2.193 4.822
168 1HG ARG 17 2HG ARG 17 6.013 0.912 7.371
169 2HG ARG 17 1HG ARG 17 7.032 2.344 7.224
170 1HD ARG 17 2HD ARG 17 4.817 2.926 5.662
171 2HD ARG 17 1HD ARG 17 4.147 2.089 7.062
172 HE ARG 17 HE ARG 17 6.037 4.152 7.732
173 1HH1 ARG 17 1HH1 ARG 17 2.691 3.443 7.041
174 2HH1 ARG 17 2HH1 ARG 17 2.092 4.826 7.895
175 1HH2 ARG 17 1HH2 ARG 17 5.252 5.969 8.857
176 2HH2 ARG 17 2HH2 ARG 17 3.546 6.260 8.925
Start of MODEL 29
1 1H LYS 1 1HT LYS 1 -3.521 -6.722 10.373
2 2H LYS 1 2HT LYS 1 -2.619 -5.329 9.936
3 3H LYS 1 3HT LYS 1 -2.014 -6.894 9.578
4 HA LYS 1 HA LYS 1 -3.516 -7.261 7.933
5 1HB LYS 1 2HB LYS 1 -5.452 -5.609 7.636
6 2HB LYS 1 1HB LYS 1 -5.549 -6.723 8.991
7 1HG LYS 1 2HG LYS 1 -4.244 -4.205 9.661
8 2HG LYS 1 1HG LYS 1 -5.908 -4.012 9.111
9 1HD LYS 1 2HD LYS 1 -6.568 -4.569 11.164
10 2HD LYS 1 1HD LYS 1 -5.965 -6.198 10.852
11 1HE LYS 1 2HE LYS 1 -3.686 -4.789 11.505
12 2HE LYS 1 1HE LYS 1 -4.906 -4.108 12.582
13 1HZ LYS 1 1HZ LYS 1 -5.304 -6.170 13.553
14 2HZ LYS 1 2HZ LYS 1 -3.622 -6.140 13.375
15 3HZ LYS 1 3HZ LYS 1 -4.571 -7.031 12.293
16 H TRP 2 H TRP 2 -3.201 -6.527 5.861
17 HA TRP 2 HA TRP 2 -1.436 -4.213 5.568
18 1HB TRP 2 2HB TRP 2 -0.949 -5.214 3.437
19 2HB TRP 2 1HB TRP 2 -1.006 -6.521 4.612
20 HD1 TRP 2 HD TRP 2 -1.395 -7.825 2.084
21 HE1 TRP 2 1HE TRP 2 -3.614 -8.451 1.008
22 HE3 TRP 2 3HE TRP 2 -4.557 -4.827 4.738
23 HZ2 TRP 2 2HZ TRP 2 -6.313 -7.825 1.179
24 HZ3 TRP 2 3HZ TRP 2 -6.973 -4.936 4.241
25 HH2 TRP 2 HH TRP 2 -7.834 -6.413 2.497
26 H TYR 3 H TYR 3 -2.483 -4.187 2.645
27 HA TYR 3 HA TYR 3 -5.124 -3.690 2.384
28 1HB TYR 3 2HB TYR 3 -4.763 -0.979 2.235
29 2HB TYR 3 1HB TYR 3 -5.563 -1.819 3.559
30 HD1 TYR 3 1HD TYR 3 -4.774 -1.578 5.685
31 HD2 TYR 3 2HD TYR 3 -2.235 -0.749 2.405
32 HE1 TYR 3 1HE TYR 3 -3.032 -0.926 7.239
33 HE2 TYR 3 2HE TYR 3 -0.455 -0.043 3.954
34 HH TYR 3 HH TYR 3 -0.497 -0.722 7.233
35 H PHE 4 H PHE 4 -5.579 -3.652 0.403
36 HA PHE 4 HA PHE 4 -4.144 -4.100 -1.703
37 1HB PHE 4 2HB PHE 4 -5.801 -2.883 -3.095
38 2HB PHE 4 1HB PHE 4 -6.538 -3.852 -1.826
39 HD1 PHE 4 1HD PHE 4 -5.911 -1.755 0.455
40 HD2 PHE 4 2HD PHE 4 -7.656 -1.477 -3.437
41 HE1 PHE 4 1HE PHE 4 -7.193 0.190 1.163
42 HE2 PHE 4 2HE PHE 4 -8.908 0.506 -2.724
43 HZ PHE 4 HZ PHE 4 -8.694 1.342 -0.420
44 H ARG 5 H ARG 5 -5.147 -0.748 -2.060
45 HA ARG 5 HA ARG 5 -2.402 0.032 -2.678
46 1HB ARG 5 2HB ARG 5 -4.815 1.669 -3.358
47 2HB ARG 5 1HB ARG 5 -3.258 1.611 -4.170
48 1HG ARG 5 2HG ARG 5 -3.775 -0.445 -5.219
49 2HG ARG 5 1HG ARG 5 -5.184 -0.695 -4.182
50 1HD ARG 5 2HD ARG 5 -6.297 0.116 -5.969
51 2HD ARG 5 1HD ARG 5 -5.835 1.669 -5.278
52 HE ARG 5 HE ARG 5 -3.758 1.038 -6.917
53 1HH1 ARG 5 1HH1 ARG 5 -7.211 1.299 -7.354
54 2HH1 ARG 5 2HH1 ARG 5 -7.092 1.771 -9.016
55 1HH2 ARG 5 1HH2 ARG 5 -3.601 1.652 -9.111
56 2HH2 ARG 5 2HH2 ARG 5 -5.046 1.966 -10.012
57 H VAL 6 H VAL 6 -5.311 1.641 -1.551
58 HA VAL 6 HA VAL 6 -5.728 3.162 0.059
59 HB VAL 6 HB VAL 6 -3.286 1.874 1.258
60 1HG1 VAL 6 1HG1 VAL 6 -3.137 3.981 2.246
61 2HG1 VAL 6 2HG1 VAL 6 -4.097 3.058 3.400
62 3HG1 VAL 6 3HG1 VAL 6 -4.887 4.181 2.297
63 1HG2 VAL 6 1HG2 VAL 6 -6.220 1.764 1.915
64 2HG2 VAL 6 2HG2 VAL 6 -4.948 1.013 2.878
65 3HG2 VAL 6 3HG2 VAL 6 -5.229 0.483 1.221
66 H TYR 7 H TYR 7 -2.301 3.497 0.508
67 HA TYR 7 HA TYR 7 -0.979 5.376 0.349
68 1HB TYR 7 2HB TYR 7 -0.389 4.949 -1.767
69 2HB TYR 7 1HB TYR 7 -2.012 4.446 -2.169
70 HD1 TYR 7 1HD TYR 7 0.422 7.131 -2.314
71 HD2 TYR 7 2HD TYR 7 -3.657 6.038 -3.034
72 HE1 TYR 7 1HE TYR 7 0.160 9.096 -3.774
73 HE2 TYR 7 2HE TYR 7 -3.908 8.014 -4.511
74 HH TYR 7 HH TYR 7 -1.662 9.582 -5.911
75 H TYR 8 H TYR 8 -3.803 6.168 -1.478
76 HA TYR 8 HA TYR 8 -5.144 7.905 -1.785
77 1HB TYR 8 2HB TYR 8 -5.709 9.220 0.361
78 2HB TYR 8 1HB TYR 8 -6.189 7.543 0.172
79 HD1 TYR 8 1HD TYR 8 -5.510 5.906 1.706
80 HD2 TYR 8 2HD TYR 8 -3.687 9.749 1.848
81 HE1 TYR 8 1HE TYR 8 -4.474 5.335 3.861
82 HE2 TYR 8 2HE TYR 8 -2.650 9.183 3.998
83 HH TYR 8 HH TYR 8 -2.626 5.992 5.246
84 H ARG 9 H ARG 9 -2.741 9.151 0.430
85 HA ARG 9 HA ARG 9 -1.754 11.010 -1.529
86 1HB ARG 9 2HB ARG 9 -2.263 13.026 -0.397
87 2HB ARG 9 1HB ARG 9 -3.774 12.130 -0.410
88 1HG ARG 9 2HG ARG 9 -2.584 11.350 1.956
89 2HG ARG 9 1HG ARG 9 -2.178 13.061 1.826
90 1HD ARG 9 2HD ARG 9 -4.805 13.068 1.109
91 2HD ARG 9 1HD ARG 9 -4.768 11.761 2.291
92 HE ARG 9 HE ARG 9 -3.433 13.734 3.549
93 1HH1 ARG 9 1HH1 ARG 9 -6.521 13.638 1.927
94 2HH1 ARG 9 2HH1 ARG 9 -7.226 14.864 2.926
95 1HH2 ARG 9 1HH2 ARG 9 -4.359 15.345 4.867
96 2HH2 ARG 9 2HH2 ARG 9 -6.000 15.832 4.595
97 H GLY 10 H GLY 10 -0.928 8.716 -0.029
98 1HA GLY 10 2HA GLY 10 1.085 9.858 1.765
99 2HA GLY 10 1HA GLY 10 0.443 8.232 1.858
100 H ILE 11 H ILE 11 1.080 6.670 0.292
101 HA ILE 11 HA ILE 11 2.727 6.930 -1.835
102 HB ILE 11 HB ILE 11 4.236 8.117 -0.131
103 1HG1 ILE 11 2HG1 ILE 11 5.153 7.810 -2.230
104 2HG1 ILE 11 1HG1 ILE 11 6.298 6.954 -1.198
105 1HG2 ILE 11 1HG2 ILE 11 4.592 5.326 0.797
106 2HG2 ILE 11 2HG2 ILE 11 4.483 6.816 1.723
107 3HG2 ILE 11 3HG2 ILE 11 5.950 6.437 0.825
108 1HD1 ILE 11 1HD1 ILE 11 4.063 5.717 -2.774
109 2HD1 ILE 11 2HD1 ILE 11 5.189 4.857 -1.724
110 3HD1 ILE 11 3HD1 ILE 11 5.784 5.662 -3.179
111 H TYR 12 H TYR 12 0.936 5.215 -1.464
112 HA TYR 12 HA TYR 12 0.263 3.057 -1.222
113 1HB TYR 12 2HB TYR 12 2.668 3.029 -2.979
114 2HB TYR 12 1HB TYR 12 1.727 1.559 -2.710
115 HD1 TYR 12 1HD TYR 12 2.145 3.693 -5.184
116 HD2 TYR 12 2HD TYR 12 -0.970 2.596 -2.513
117 HE1 TYR 12 1HE TYR 12 0.470 4.474 -6.815
118 HE2 TYR 12 2HE TYR 12 -2.642 3.378 -4.093
119 HH TYR 12 HH TYR 12 -2.599 3.655 -6.838
120 H TYR 13 H TYR 13 3.759 2.770 -0.724
121 HA TYR 13 HA TYR 13 4.814 1.926 1.095
122 1HB TYR 13 2HB TYR 13 2.320 0.689 2.208
123 2HB TYR 13 1HB TYR 13 3.739 1.287 3.070
124 HD1 TYR 13 1HD TYR 13 3.902 3.889 1.477
125 HD2 TYR 13 2HD TYR 13 0.682 1.978 3.487
126 HE1 TYR 13 1HE TYR 13 2.802 6.038 1.691
127 HE2 TYR 13 2HE TYR 13 -0.429 4.155 3.765
128 HH TYR 13 HH TYR 13 -0.421 6.380 2.614
129 H ARG 14 H ARG 14 4.462 -0.600 2.328
130 HA ARG 14 HA ARG 14 4.426 -2.408 0.010
131 1HB ARG 14 2HB ARG 14 6.421 -3.505 0.722
132 2HB ARG 14 1HB ARG 14 6.756 -1.780 0.680
133 1HG ARG 14 2HG ARG 14 6.034 -3.273 3.191
134 2HG ARG 14 1HG ARG 14 7.691 -2.999 2.649
135 1HD ARG 14 2HD ARG 14 6.780 -0.490 2.515
136 2HD ARG 14 1HD ARG 14 5.716 -1.104 3.781
137 HE ARG 14 HE ARG 14 8.338 -1.850 4.400
138 1HH1 ARG 14 1HH1 ARG 14 6.401 1.042 4.146
139 2HH1 ARG 14 2HH1 ARG 14 7.319 1.910 5.331
140 1HH2 ARG 14 1HH2 ARG 14 9.545 -0.711 5.958
141 2HH2 ARG 14 2HH2 ARG 14 9.103 0.915 6.362
142 H ARG 15 H ARG 15 2.375 -1.959 2.054
143 HA ARG 15 HA ARG 15 2.485 -4.147 3.889
144 1HB ARG 15 2HB ARG 15 0.088 -2.524 3.019
145 2HB ARG 15 1HB ARG 15 0.172 -3.574 4.427
146 1HG ARG 15 2HG ARG 15 1.329 -0.873 3.992
147 2HG ARG 15 1HG ARG 15 0.508 -1.542 5.401
148 1HD ARG 15 2HD ARG 15 3.255 -2.429 4.547
149 2HD ARG 15 1HD ARG 15 2.985 -1.077 5.644
150 HE ARG 15 HE ARG 15 1.694 -3.536 6.429
151 1HH1 ARG 15 1HH1 ARG 15 4.584 -1.586 6.650
152 2HH1 ARG 15 2HH1 ARG 15 5.106 -2.307 8.135
153 1HH2 ARG 15 1HH2 ARG 15 2.387 -4.486 8.384
154 2HH2 ARG 15 2HH2 ARG 15 3.863 -3.952 9.117
155 H TYR 16 H TYR 16 -0.325 -3.794 1.764
156 HA TYR 16 HA TYR 16 -1.454 -5.917 1.213
157 1HB TYR 16 2HB TYR 16 -1.048 -5.785 -1.312
158 2HB TYR 16 1HB TYR 16 -1.615 -4.323 -0.509
159 HD1 TYR 16 1HD TYR 16 1.821 -5.286 0.049
160 HD2 TYR 16 2HD TYR 16 -0.743 -3.038 -2.477
161 HE1 TYR 16 1HE TYR 16 3.734 -4.072 -0.775
162 HE2 TYR 16 2HE TYR 16 1.192 -1.793 -3.325
163 HH TYR 16 HH TYR 16 4.212 -2.731 -3.137
164 H ARG 17 H ARG 17 0.613 -6.601 -1.343
165 HA ARG 17 HA ARG 17 1.320 -8.810 -1.807
166 1HB ARG 17 2HB ARG 17 3.153 -6.811 -1.014
167 2HB ARG 17 1HB ARG 17 3.742 -8.328 -0.333
168 1HG ARG 17 2HG ARG 17 4.293 -9.170 -2.338
169 2HG ARG 17 1HG ARG 17 2.867 -8.496 -3.129
170 1HD ARG 17 2HD ARG 17 3.903 -6.339 -3.290
171 2HD ARG 17 1HD ARG 17 5.270 -6.869 -2.312
172 HE ARG 17 HE ARG 17 4.946 -7.221 -5.107
173 1HH1 ARG 17 1HH1 ARG 17 6.229 -8.777 -2.258
174 2HH1 ARG 17 2HH1 ARG 17 7.398 -9.703 -3.139
175 1HH2 ARG 17 1HH2 ARG 17 6.480 -8.442 -6.265
176 2HH2 ARG 17 2HH2 ARG 17 7.540 -9.513 -5.412
Start of MODEL 30
1 1H LYS 1 1HT LYS 1 -1.110 -11.388 3.533
2 2H LYS 1 2HT LYS 1 -0.808 -11.594 1.855
3 3H LYS 1 3HT LYS 1 -1.831 -12.694 2.687
4 HA LYS 1 HA LYS 1 -2.862 -10.917 1.244
5 1HB LYS 1 2HB LYS 1 -4.620 -10.580 3.158
6 2HB LYS 1 1HB LYS 1 -4.346 -12.181 2.491
7 1HG LYS 1 2HG LYS 1 -4.304 -12.693 4.696
8 2HG LYS 1 1HG LYS 1 -2.598 -12.313 4.478
9 1HD LYS 1 2HD LYS 1 -4.241 -9.977 5.092
10 2HD LYS 1 1HD LYS 1 -4.261 -11.203 6.360
11 1HE LYS 1 2HE LYS 1 -1.742 -10.110 5.120
12 2HE LYS 1 1HE LYS 1 -2.465 -9.474 6.596
13 1HZ LYS 1 1HZ LYS 1 -1.087 -10.966 7.539
14 2HZ LYS 1 2HZ LYS 1 -1.003 -11.948 6.165
15 3HZ LYS 1 3HZ LYS 1 -2.336 -12.054 7.198
16 H TRP 2 H TRP 2 -1.218 -9.173 1.076
17 HA TRP 2 HA TRP 2 -0.811 -7.249 3.057
18 1HB TRP 2 2HB TRP 2 0.233 -6.018 1.326
19 2HB TRP 2 1HB TRP 2 0.457 -7.705 0.882
20 HD1 TRP 2 HD TRP 2 -2.710 -7.829 -0.218
21 HE1 TRP 2 1HE TRP 2 -3.102 -6.861 -2.549
22 HE3 TRP 2 3HE TRP 2 1.483 -5.046 -0.606
23 HZ2 TRP 2 2HZ TRP 2 -1.785 -5.112 -4.365
24 HZ3 TRP 2 3HZ TRP 2 1.871 -3.722 -2.657
25 HH2 TRP 2 HH TRP 2 0.270 -3.766 -4.505
26 H TYR 3 H TYR 3 -1.444 -4.913 1.321
27 HA TYR 3 HA TYR 3 -4.327 -4.729 1.859
28 1HB TYR 3 2HB TYR 3 -3.326 -2.128 1.658
29 2HB TYR 3 1HB TYR 3 -3.850 -2.953 3.120
30 HD1 TYR 3 1HD TYR 3 -2.133 -4.220 4.472
31 HD2 TYR 3 2HD TYR 3 -1.072 -1.576 1.316
32 HE1 TYR 3 1HE TYR 3 0.154 -4.091 5.364
33 HE2 TYR 3 2HE TYR 3 1.224 -1.439 2.199
34 HH TYR 3 HH TYR 3 2.441 -3.568 4.494
35 H PHE 4 H PHE 4 -2.256 -2.555 0.041
36 HA PHE 4 HA PHE 4 -2.235 -2.801 -2.471
37 1HB PHE 4 2HB PHE 4 -4.328 -2.820 -3.633
38 2HB PHE 4 1HB PHE 4 -4.440 -4.075 -2.410
39 HD1 PHE 4 1HD PHE 4 -4.892 -2.121 -0.060
40 HD2 PHE 4 2HD PHE 4 -6.662 -2.466 -3.911
41 HE1 PHE 4 1HE PHE 4 -6.912 -1.083 0.804
42 HE2 PHE 4 2HE PHE 4 -8.705 -1.402 -3.062
43 HZ PHE 4 HZ PHE 4 -8.848 -0.712 -0.695
44 H ARG 5 H ARG 5 -4.409 -0.904 -3.470
45 HA ARG 5 HA ARG 5 -3.030 1.521 -3.004
46 1HB ARG 5 2HB ARG 5 -5.858 1.567 -3.947
47 2HB ARG 5 1HB ARG 5 -4.473 2.493 -4.513
48 1HG ARG 5 2HG ARG 5 -3.828 -0.113 -5.174
49 2HG ARG 5 1HG ARG 5 -5.567 -0.019 -5.475
50 1HD ARG 5 2HD ARG 5 -5.330 1.573 -7.115
51 2HD ARG 5 1HD ARG 5 -3.818 2.187 -6.450
52 HE ARG 5 HE ARG 5 -3.655 -0.492 -7.503
53 1HH1 ARG 5 1HH1 ARG 5 -3.382 2.913 -8.230
54 2HH1 ARG 5 2HH1 ARG 5 -2.358 2.664 -9.604
55 1HH2 ARG 5 1HH2 ARG 5 -2.304 -0.818 -9.309
56 2HH2 ARG 5 2HH2 ARG 5 -1.746 0.549 -10.216
57 H VAL 6 H VAL 6 -2.976 1.874 -0.797
58 HA VAL 6 HA VAL 6 -5.494 2.866 0.376
59 HB VAL 6 HB VAL 6 -3.357 1.522 1.984
60 1HG1 VAL 6 1HG1 VAL 6 -4.662 2.675 3.474
61 2HG1 VAL 6 2HG1 VAL 6 -5.541 1.147 3.425
62 3HG1 VAL 6 3HG1 VAL 6 -6.117 2.525 2.486
63 1HG2 VAL 6 1HG2 VAL 6 -3.917 -0.447 1.119
64 2HG2 VAL 6 2HG2 VAL 6 -5.263 0.255 0.228
65 3HG2 VAL 6 3HG2 VAL 6 -5.488 -0.260 1.900
66 H TYR 7 H TYR 7 -3.055 3.998 -0.939
67 HA TYR 7 HA TYR 7 -1.780 5.429 1.235
68 1HB TYR 7 2HB TYR 7 -0.059 5.742 -0.209
69 2HB TYR 7 1HB TYR 7 -0.779 4.294 -0.911
70 HD1 TYR 7 1HD TYR 7 -3.206 5.785 -2.231
71 HD2 TYR 7 2HD TYR 7 1.004 6.569 -2.214
72 HE1 TYR 7 1HE TYR 7 -3.394 6.929 -4.391
73 HE2 TYR 7 2HE TYR 7 0.793 7.719 -4.367
74 HH TYR 7 HH TYR 7 -0.683 7.812 -6.274
75 H TYR 8 H TYR 8 -4.225 5.900 -1.103
76 HA TYR 8 HA TYR 8 -5.299 7.720 -1.902
77 1HB TYR 8 2HB TYR 8 -5.519 9.474 0.086
78 2HB TYR 8 1HB TYR 8 -6.429 7.981 -0.023
79 HD1 TYR 8 1HD TYR 8 -3.782 9.751 1.812
80 HD2 TYR 8 2HD TYR 8 -5.912 6.083 1.409
81 HE1 TYR 8 1HE TYR 8 -2.954 9.041 3.990
82 HE2 TYR 8 2HE TYR 8 -5.065 5.352 3.598
83 HH TYR 8 HH TYR 8 -3.080 5.881 5.078
84 H ARG 9 H ARG 9 -3.135 9.402 0.283
85 HA ARG 9 HA ARG 9 -1.776 10.690 -1.942
86 1HB ARG 9 2HB ARG 9 -2.051 12.599 0.138
87 2HB ARG 9 1HB ARG 9 -2.698 12.683 -1.490
88 1HG ARG 9 2HG ARG 9 -4.173 11.157 0.612
89 2HG ARG 9 1HG ARG 9 -4.266 12.919 0.571
90 1HD ARG 9 2HD ARG 9 -5.251 12.941 -1.550
91 2HD ARG 9 1HD ARG 9 -4.757 11.284 -1.893
92 HE ARG 9 HE ARG 9 -6.579 11.517 0.318
93 1HH1 ARG 9 1HH1 ARG 9 -6.306 11.223 -3.148
94 2HH1 ARG 9 2HH1 ARG 9 -7.884 10.537 -3.341
95 1HH2 ARG 9 1HH2 ARG 9 -8.655 10.612 0.069
96 2HH2 ARG 9 2HH2 ARG 9 -9.220 10.190 -1.513
97 H GLY 10 H GLY 10 -1.057 8.548 -0.112
98 1HA GLY 10 2HA GLY 10 0.911 9.801 1.655
99 2HA GLY 10 1HA GLY 10 0.369 8.137 1.734
100 H ILE 11 H ILE 11 1.473 6.574 0.636
101 HA ILE 11 HA ILE 11 3.162 7.081 -1.549
102 HB ILE 11 HB ILE 11 4.400 8.163 0.412
103 1HG1 ILE 11 2HG1 ILE 11 5.490 7.996 -1.669
104 2HG1 ILE 11 1HG1 ILE 11 6.622 7.341 -0.489
105 1HG2 ILE 11 1HG2 ILE 11 6.044 6.484 1.456
106 2HG2 ILE 11 2HG2 ILE 11 4.782 5.309 1.124
107 3HG2 ILE 11 3HG2 ILE 11 4.440 6.696 2.152
108 1HD1 ILE 11 1HD1 ILE 11 6.548 6.005 -2.521
109 2HD1 ILE 11 2HD1 ILE 11 4.821 5.729 -2.272
110 3HD1 ILE 11 3HD1 ILE 11 5.995 5.091 -1.117
111 H TYR 12 H TYR 12 1.281 5.281 -1.274
112 HA TYR 12 HA TYR 12 0.666 3.129 -1.430
113 1HB TYR 12 2HB TYR 12 3.399 3.037 -2.659
114 2HB TYR 12 1HB TYR 12 2.230 1.724 -2.783
115 HD1 TYR 12 1HD TYR 12 -0.269 3.356 -3.111
116 HD2 TYR 12 2HD TYR 12 3.569 3.721 -4.910
117 HE1 TYR 12 1HE TYR 12 -1.295 4.451 -5.051
118 HE2 TYR 12 2HE TYR 12 2.552 4.820 -6.863
119 HH TYR 12 HH TYR 12 -0.841 4.892 -7.373
120 H TYR 13 H TYR 13 4.053 2.693 -0.590
121 HA TYR 13 HA TYR 13 4.955 1.689 1.212
122 1HB TYR 13 2HB TYR 13 2.367 0.596 2.238
123 2HB TYR 13 1HB TYR 13 3.782 1.131 3.139
124 HD1 TYR 13 1HD TYR 13 3.992 3.767 1.514
125 HD2 TYR 13 2HD TYR 13 0.816 1.886 3.612
126 HE1 TYR 13 1HE TYR 13 2.928 5.909 1.781
127 HE2 TYR 13 2HE TYR 13 -0.267 4.073 3.923
128 HH TYR 13 HH TYR 13 0.422 6.483 3.967
129 H ARG 14 H ARG 14 3.619 -0.909 2.239
130 HA ARG 14 HA ARG 14 3.933 -3.120 1.804
131 1HB ARG 14 2HB ARG 14 2.959 -3.375 -0.830
132 2HB ARG 14 1HB ARG 14 2.100 -3.665 0.671
133 1HG ARG 14 2HG ARG 14 0.676 -2.139 -0.130
134 2HG ARG 14 1HG ARG 14 1.853 -0.971 0.458
135 1HD ARG 14 2HD ARG 14 2.328 -0.291 -1.611
136 2HD ARG 14 1HD ARG 14 2.558 -1.946 -2.170
137 HE ARG 14 HE ARG 14 -0.200 -1.188 -1.870
138 1HH1 ARG 14 1HH1 ARG 14 2.551 -1.220 -4.018
139 2HH1 ARG 14 2HH1 ARG 14 1.589 -1.141 -5.455
140 1HH2 ARG 14 1HH2 ARG 14 -1.467 -1.083 -3.761
141 2HH2 ARG 14 2HH2 ARG 14 -0.692 -1.059 -5.309
142 H ARG 15 H ARG 15 4.320 -2.041 -1.546
143 HA ARG 15 HA ARG 15 6.140 -2.025 -2.937
144 1HB ARG 15 2HB ARG 15 7.826 -3.292 -0.790
145 2HB ARG 15 1HB ARG 15 8.352 -2.344 -2.173
146 1HG ARG 15 2HG ARG 15 8.258 -0.468 -1.002
147 2HG ARG 15 1HG ARG 15 6.590 -0.787 -0.526
148 1HD ARG 15 2HD ARG 15 7.311 -1.106 1.552
149 2HD ARG 15 1HD ARG 15 8.154 -2.546 0.988
150 HE ARG 15 HE ARG 15 9.318 0.004 1.652
151 1HH1 ARG 15 1HH1 ARG 15 9.741 -2.983 -0.103
152 2HH1 ARG 15 2HH1 ARG 15 11.468 -2.867 -0.133
153 1HH2 ARG 15 1HH2 ARG 15 11.589 0.158 1.614
154 2HH2 ARG 15 2HH2 ARG 15 12.517 -1.085 0.841
155 H TYR 16 H TYR 16 6.510 -4.887 -0.838
156 HA TYR 16 HA TYR 16 5.575 -6.650 -2.886
157 1HB TYR 16 2HB TYR 16 7.612 -7.785 -3.356
158 2HB TYR 16 1HB TYR 16 7.933 -6.065 -3.545
159 HD1 TYR 16 1HD TYR 16 8.832 -9.082 -1.789
160 HD2 TYR 16 2HD TYR 16 9.159 -4.841 -1.736
161 HE1 TYR 16 1HE TYR 16 10.721 -9.253 -0.223
162 HE2 TYR 16 2HE TYR 16 11.048 -4.999 -0.172
163 HH TYR 16 HH TYR 16 12.015 -6.509 1.407
164 H ARG 17 H ARG 17 7.454 -6.393 0.114
165 HA ARG 17 HA ARG 17 6.433 -8.950 1.042
166 1HB ARG 17 2HB ARG 17 8.830 -7.990 1.392
167 2HB ARG 17 1HB ARG 17 8.091 -7.082 2.703
168 1HG ARG 17 2HG ARG 17 9.008 -9.030 3.664
169 2HG ARG 17 1HG ARG 17 7.262 -9.278 3.609
170 1HD ARG 17 2HD ARG 17 8.210 -11.304 2.873
171 2HD ARG 17 1HD ARG 17 7.646 -10.488 1.415
172 HE ARG 17 HE ARG 17 10.369 -9.877 1.955
173 1HH1 ARG 17 1HH1 ARG 17 8.287 -12.370 0.678
174 2HH1 ARG 17 2HH1 ARG 17 9.514 -13.047 -0.339
175 1HH2 ARG 17 1HH2 ARG 17 11.985 -10.769 0.623
176 2HH2 ARG 17 2HH2 ARG 17 11.614 -12.141 -0.369
Start of MODEL 31
1 1H LYS 1 1HT LYS 1 -6.977 -10.814 3.762
2 2H LYS 1 2HT LYS 1 -5.267 -10.706 3.659
3 3H LYS 1 3HT LYS 1 -6.253 -9.587 2.808
4 HA LYS 1 HA LYS 1 -7.150 -8.911 5.006
5 1HB LYS 1 2HB LYS 1 -4.857 -10.694 5.772
6 2HB LYS 1 1HB LYS 1 -5.353 -9.372 6.819
7 1HG LYS 1 2HG LYS 1 -7.091 -10.514 7.598
8 2HG LYS 1 1HG LYS 1 -7.607 -10.981 5.977
9 1HD LYS 1 2HD LYS 1 -5.241 -12.314 7.227
10 2HD LYS 1 1HD LYS 1 -6.871 -12.807 7.690
11 1HE LYS 1 2HE LYS 1 -5.778 -12.754 4.879
12 2HE LYS 1 1HE LYS 1 -5.972 -14.194 5.877
13 1HZ LYS 1 1HZ LYS 1 -8.055 -12.503 4.652
14 2HZ LYS 1 2HZ LYS 1 -8.413 -13.467 5.994
15 3HZ LYS 1 3HZ LYS 1 -7.860 -14.181 4.564
16 H TRP 2 H TRP 2 -4.275 -9.042 3.146
17 HA TRP 2 HA TRP 2 -2.849 -6.887 4.242
18 1HB TRP 2 2HB TRP 2 -1.481 -7.010 2.343
19 2HB TRP 2 1HB TRP 2 -2.109 -8.645 2.496
20 HD1 TRP 2 HD TRP 2 -4.596 -8.864 0.949
21 HE1 TRP 2 1HE TRP 2 -4.813 -8.244 -1.530
22 HE3 TRP 2 3HE TRP 2 -0.585 -5.728 0.540
23 HZ2 TRP 2 2HZ TRP 2 -3.466 -6.639 -3.426
24 HZ3 TRP 2 3HZ TRP 2 -0.118 -4.691 -1.639
25 HH2 TRP 2 HH TRP 2 -1.528 -5.137 -3.581
26 H TYR 3 H TYR 3 -2.519 -5.247 1.832
27 HA TYR 3 HA TYR 3 -5.073 -4.068 1.240
28 1HB TYR 3 2HB TYR 3 -4.801 -1.980 2.349
29 2HB TYR 3 1HB TYR 3 -4.527 -3.230 3.559
30 HD1 TYR 3 1HD TYR 3 -1.876 -4.010 3.500
31 HD2 TYR 3 2HD TYR 3 -3.422 -0.163 2.561
32 HE1 TYR 3 1HE TYR 3 0.305 -3.012 4.037
33 HE2 TYR 3 2HE TYR 3 -1.246 0.851 3.099
34 HH TYR 3 HH TYR 3 0.917 -0.248 4.838
35 H PHE 4 H PHE 4 -4.922 -3.556 -0.776
36 HA PHE 4 HA PHE 4 -2.585 -3.301 -2.292
37 1HB PHE 4 2HB PHE 4 -4.111 -2.452 -4.050
38 2HB PHE 4 1HB PHE 4 -4.764 -3.876 -3.248
39 HD1 PHE 4 1HD PHE 4 -5.228 -1.585 -0.805
40 HD2 PHE 4 2HD PHE 4 -6.624 -2.391 -4.751
41 HE1 PHE 4 1HE PHE 4 -7.277 -0.371 -0.310
42 HE2 PHE 4 2HE PHE 4 -8.692 -1.157 -4.260
43 HZ PHE 4 HZ PHE 4 -9.032 -0.146 -2.039
44 H ARG 5 H ARG 5 -4.121 -0.645 -3.419
45 HA ARG 5 HA ARG 5 -2.146 1.185 -2.890
46 1HB ARG 5 2HB ARG 5 -5.039 1.934 -3.286
47 2HB ARG 5 1HB ARG 5 -3.614 2.849 -3.759
48 1HG ARG 5 2HG ARG 5 -3.111 0.779 -5.248
49 2HG ARG 5 1HG ARG 5 -4.828 0.432 -5.019
50 1HD ARG 5 2HD ARG 5 -3.733 3.046 -6.053
51 2HD ARG 5 1HD ARG 5 -4.330 1.741 -7.073
52 HE ARG 5 HE ARG 5 -6.511 2.188 -6.348
53 1HH1 ARG 5 1HH1 ARG 5 -4.196 4.358 -4.875
54 2HH1 ARG 5 2HH1 ARG 5 -5.405 5.478 -4.348
55 1HH2 ARG 5 1HH2 ARG 5 -8.089 3.665 -5.650
56 2HH2 ARG 5 2HH2 ARG 5 -7.609 5.087 -4.786
57 H VAL 6 H VAL 6 -5.202 2.330 -1.682
58 HA VAL 6 HA VAL 6 -5.867 3.128 0.364
59 HB VAL 6 HB VAL 6 -3.660 1.571 1.636
60 1HG1 VAL 6 1HG1 VAL 6 -5.855 1.220 3.182
61 2HG1 VAL 6 2HG1 VAL 6 -6.192 2.805 2.484
62 3HG1 VAL 6 3HG1 VAL 6 -4.700 2.538 3.385
63 1HG2 VAL 6 1HG2 VAL 6 -4.474 -0.417 1.031
64 2HG2 VAL 6 2HG2 VAL 6 -5.513 0.425 -0.112
65 3HG2 VAL 6 3HG2 VAL 6 -6.109 0.048 1.501
66 H TYR 7 H TYR 7 -3.236 4.046 -1.114
67 HA TYR 7 HA TYR 7 -1.804 5.241 1.073
68 1HB TYR 7 2HB TYR 7 -0.156 5.693 -0.446
69 2HB TYR 7 1HB TYR 7 -0.929 4.281 -1.160
70 HD1 TYR 7 1HD TYR 7 -3.361 5.692 -2.337
71 HD2 TYR 7 2HD TYR 7 0.791 6.695 -2.378
72 HE1 TYR 7 1HE TYR 7 -3.677 6.930 -4.436
73 HE2 TYR 7 2HE TYR 7 0.467 7.937 -4.474
74 HH TYR 7 HH TYR 7 -1.409 9.074 -5.675
75 H TYR 8 H TYR 8 -4.284 6.148 -1.114
76 HA TYR 8 HA TYR 8 -5.191 8.217 -1.669
77 1HB TYR 8 2HB TYR 8 -6.251 9.055 0.490
78 2HB TYR 8 1HB TYR 8 -6.531 7.369 0.048
79 HD1 TYR 8 1HD TYR 8 -4.001 9.347 1.998
80 HD2 TYR 8 2HD TYR 8 -6.359 5.812 1.733
81 HE1 TYR 8 1HE TYR 8 -3.107 8.610 4.145
82 HE2 TYR 8 2HE TYR 8 -5.456 5.049 3.889
83 HH TYR 8 HH TYR 8 -4.379 6.509 6.050
84 H ARG 9 H ARG 9 -2.620 8.868 -1.956
85 HA ARG 9 HA ARG 9 -1.453 10.837 -2.188
86 1HB ARG 9 2HB ARG 9 -2.272 12.800 -1.428
87 2HB ARG 9 1HB ARG 9 -3.699 11.829 -1.110
88 1HG ARG 9 2HG ARG 9 -2.664 11.471 1.237
89 2HG ARG 9 1HG ARG 9 -1.655 12.860 0.820
90 1HD ARG 9 2HD ARG 9 -3.690 13.478 2.083
91 2HD ARG 9 1HD ARG 9 -3.594 14.246 0.503
92 HE ARG 9 HE ARG 9 -5.463 12.157 1.324
93 1HH1 ARG 9 1HH1 ARG 9 -4.262 14.244 -1.211
94 2HH1 ARG 9 2HH1 ARG 9 -5.673 14.057 -2.198
95 1HH2 ARG 9 1HH2 ARG 9 -7.310 11.914 0.022
96 2HH2 ARG 9 2HH2 ARG 9 -7.399 12.735 -1.500
97 H GLY 10 H GLY 10 -1.110 8.484 -0.272
98 1HA GLY 10 2HA GLY 10 0.710 9.669 1.691
99 2HA GLY 10 1HA GLY 10 0.151 8.002 1.668
100 H ILE 11 H ILE 11 1.285 6.475 0.541
101 HA ILE 11 HA ILE 11 3.115 7.000 -1.491
102 HB ILE 11 HB ILE 11 4.298 8.056 0.508
103 1HG1 ILE 11 2HG1 ILE 11 5.608 7.923 -1.377
104 2HG1 ILE 11 1HG1 ILE 11 6.543 6.949 -0.247
105 1HG2 ILE 11 1HG2 ILE 11 4.195 6.608 2.271
106 2HG2 ILE 11 2HG2 ILE 11 5.832 6.354 1.668
107 3HG2 ILE 11 3HG2 ILE 11 4.567 5.202 1.281
108 1HD1 ILE 11 1HD1 ILE 11 4.615 5.862 -2.279
109 2HD1 ILE 11 2HD1 ILE 11 5.656 4.931 -1.202
110 3HD1 ILE 11 3HD1 ILE 11 6.369 5.931 -2.471
111 H TYR 12 H TYR 12 1.262 5.239 -1.478
112 HA TYR 12 HA TYR 12 0.607 3.089 -1.608
113 1HB TYR 12 2HB TYR 12 3.348 3.110 -2.782
114 2HB TYR 12 1HB TYR 12 2.276 1.720 -2.927
115 HD1 TYR 12 1HD TYR 12 -0.325 3.164 -3.277
116 HD2 TYR 12 2HD TYR 12 3.498 3.844 -5.013
117 HE1 TYR 12 1HE TYR 12 -1.403 4.219 -5.210
118 HE2 TYR 12 2HE TYR 12 2.429 4.900 -6.962
119 HH TYR 12 HH TYR 12 0.317 4.968 -8.094
120 H TYR 13 H TYR 13 3.968 2.653 -0.642
121 HA TYR 13 HA TYR 13 4.790 1.658 1.211
122 1HB TYR 13 2HB TYR 13 2.182 0.441 2.029
123 2HB TYR 13 1HB TYR 13 3.526 0.971 3.036
124 HD1 TYR 13 1HD TYR 13 0.504 1.661 3.335
125 HD2 TYR 13 2HD TYR 13 3.789 3.660 1.545
126 HE1 TYR 13 1HE TYR 13 -0.638 3.818 3.640
127 HE2 TYR 13 2HE TYR 13 2.677 5.785 1.810
128 HH TYR 13 HH TYR 13 -0.112 6.180 3.781
129 H ARG 14 H ARG 14 2.213 -0.203 -0.353
130 HA ARG 14 HA ARG 14 3.888 -2.059 -1.577
131 1HB ARG 14 2HB ARG 14 3.294 -2.633 1.224
132 2HB ARG 14 1HB ARG 14 2.803 -3.935 0.150
133 1HG ARG 14 2HG ARG 14 5.339 -3.228 -0.735
134 2HG ARG 14 1HG ARG 14 5.443 -3.156 1.024
135 1HD ARG 14 2HD ARG 14 3.983 -5.495 0.201
136 2HD ARG 14 1HD ARG 14 5.547 -5.433 -0.610
137 HE ARG 14 HE ARG 14 6.565 -5.850 1.395
138 1HH1 ARG 14 1HH1 ARG 14 3.265 -4.877 1.988
139 2HH1 ARG 14 2HH1 ARG 14 3.329 -5.247 3.679
140 1HH2 ARG 14 1HH2 ARG 14 6.649 -6.336 3.619
141 2HH2 ARG 14 2HH2 ARG 14 5.250 -6.075 4.604
142 H ARG 15 H ARG 15 2.524 -1.958 -3.294
143 HA ARG 15 HA ARG 15 -0.057 -3.297 -2.983
144 1HB ARG 15 2HB ARG 15 -1.146 -1.583 -4.428
145 2HB ARG 15 1HB ARG 15 -0.665 -0.978 -2.850
146 1HG ARG 15 2HG ARG 15 0.765 0.507 -3.716
147 2HG ARG 15 1HG ARG 15 1.360 -0.627 -4.930
148 1HD ARG 15 2HD ARG 15 -1.266 -0.064 -5.685
149 2HD ARG 15 1HD ARG 15 -0.593 1.486 -5.180
150 HE ARG 15 HE ARG 15 1.213 0.125 -6.881
151 1HH1 ARG 15 1HH1 ARG 15 -1.782 1.915 -6.932
152 2HH1 ARG 15 2HH1 ARG 15 -1.572 2.462 -8.563
153 1HH2 ARG 15 1HH2 ARG 15 1.492 0.845 -9.024
154 2HH2 ARG 15 2HH2 ARG 15 0.287 1.854 -9.750
155 H TYR 16 H TYR 16 0.965 -5.054 -4.038
156 HA TYR 16 HA TYR 16 1.992 -4.674 -6.716
157 1HB TYR 16 2HB TYR 16 2.764 -6.872 -6.611
158 2HB TYR 16 1HB TYR 16 2.862 -6.343 -4.937
159 HD1 TYR 16 1HD TYR 16 2.637 -9.205 -6.226
160 HD2 TYR 16 2HD TYR 16 -0.142 -6.598 -4.335
161 HE1 TYR 16 1HE TYR 16 1.284 -11.145 -5.552
162 HE2 TYR 16 2HE TYR 16 -1.501 -8.528 -3.655
163 HH TYR 16 HH TYR 16 -0.963 -11.684 -4.893
164 H ARG 17 H ARG 17 -1.058 -4.900 -5.474
165 HA ARG 17 HA ARG 17 -2.126 -6.437 -7.729
166 1HB ARG 17 2HB ARG 17 -2.919 -7.058 -5.489
167 2HB ARG 17 1HB ARG 17 -3.498 -5.417 -5.233
168 1HG ARG 17 2HG ARG 17 -4.780 -6.046 -7.530
169 2HG ARG 17 1HG ARG 17 -4.690 -7.627 -6.751
170 1HD ARG 17 2HD ARG 17 -5.609 -5.217 -5.229
171 2HD ARG 17 1HD ARG 17 -6.723 -6.100 -6.272
172 HE ARG 17 HE ARG 17 -5.643 -8.046 -4.737
173 1HH1 ARG 17 1HH1 ARG 17 -7.173 -4.998 -3.993
174 2HH1 ARG 17 2HH1 ARG 17 -7.798 -5.540 -2.472
175 1HH2 ARG 17 1HH2 ARG 17 -6.464 -8.761 -2.737
176 2HH2 ARG 17 2HH2 ARG 17 -7.395 -7.676 -1.759
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