Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
8478 | 1ma2 RC | 5486 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LYS 1 1HT LYS 1 -7.144 -9.051 9.228
2 2H LYS 1 2HT LYS 1 -8.562 -9.101 8.261
3 3H LYS 1 3HT LYS 1 -7.694 -7.631 8.441
4 HA LYS 1 HA LYS 1 -6.976 -10.044 6.948
5 1HB LYS 1 2HB LYS 1 -7.908 -7.359 6.406
6 2HB LYS 1 1HB LYS 1 -6.376 -7.655 5.596
7 1HG LYS 1 2HG LYS 1 -8.403 -9.783 5.358
8 2HG LYS 1 1HG LYS 1 -8.758 -8.263 4.536
9 1HD LYS 1 2HD LYS 1 -7.603 -9.420 2.906
10 2HD LYS 1 1HD LYS 1 -6.312 -8.485 3.663
11 1HE LYS 1 2HE LYS 1 -5.269 -10.475 3.777
12 2HE LYS 1 1HE LYS 1 -6.285 -10.711 5.198
13 1HZ LYS 1 1HZ LYS 1 -6.780 -12.594 4.065
14 2HZ LYS 1 2HZ LYS 1 -6.491 -11.914 2.544
15 3HZ LYS 1 3HZ LYS 1 -7.938 -11.586 3.356
16 H TRP 2 H TRP 2 -4.892 -8.993 5.535
17 HA TRP 2 HA TRP 2 -2.863 -8.375 7.569
18 1HB TRP 2 2HB TRP 2 -2.814 -10.467 5.423
19 2HB TRP 2 1HB TRP 2 -1.311 -9.771 6.023
20 HD1 TRP 2 HD TRP 2 -4.401 -11.665 7.396
21 HE1 TRP 2 1HE TRP 2 -3.642 -13.054 9.426
22 HE3 TRP 2 3HE TRP 2 0.462 -10.113 7.669
23 HZ2 TRP 2 2HZ TRP 2 -1.292 -13.438 10.944
24 HZ3 TRP 2 3HZ TRP 2 1.897 -11.036 9.440
25 HH2 TRP 2 HH TRP 2 1.037 -12.664 11.043
26 H CYS 3 H CYS 3 -2.553 -8.845 4.106
27 HA CYS 3 HA CYS 3 -0.935 -6.602 3.695
28 1HB CYS 3 2HB CYS 3 -2.626 -8.216 1.787
29 2HB CYS 3 1HB CYS 3 -1.563 -6.919 1.253
30 H PHE 4 H PHE 4 -1.359 -4.499 3.500
31 HA PHE 4 HA PHE 4 -3.973 -3.606 2.585
32 1HB PHE 4 2HB PHE 4 -2.950 -3.253 5.361
33 2HB PHE 4 1HB PHE 4 -3.806 -1.900 4.626
34 HD1 PHE 4 1HD PHE 4 -4.379 -4.158 6.929
35 HD2 PHE 4 2HD PHE 4 -5.872 -3.212 3.058
36 HE1 PHE 4 1HE PHE 4 -6.527 -5.213 7.504
37 HE2 PHE 4 2HE PHE 4 -8.022 -4.266 3.626
38 HZ PHE 4 HZ PHE 4 -8.351 -5.267 5.852
39 H ARG 5 H ARG 5 -2.622 -2.983 0.785
40 HA ARG 5 HA ARG 5 -0.588 -0.984 1.153
41 1HB ARG 5 2HB ARG 5 -0.388 -2.574 -0.665
42 2HB ARG 5 1HB ARG 5 -1.934 -2.065 -1.326
43 1HG ARG 5 2HG ARG 5 -0.853 0.251 -1.549
44 2HG ARG 5 1HG ARG 5 0.676 -0.600 -1.313
45 1HD ARG 5 2HD ARG 5 -1.342 -1.416 -3.385
46 2HD ARG 5 1HD ARG 5 -0.063 -0.249 -3.713
47 HE ARG 5 HE ARG 5 0.231 -3.111 -3.316
48 1HH1 ARG 5 1HH1 ARG 5 1.815 -0.010 -3.594
49 2HH1 ARG 5 2HH1 ARG 5 3.352 -0.695 -4.003
50 1HH2 ARG 5 1HH2 ARG 5 2.251 -4.007 -3.849
51 2HH2 ARG 5 2HH2 ARG 5 3.600 -2.962 -4.147
52 H VAL 6 H VAL 6 -1.576 0.781 2.138
53 HA VAL 6 HA VAL 6 -3.184 2.421 0.337
54 HB VAL 6 HB VAL 6 -4.833 1.245 1.730
55 1HG1 VAL 6 1HG1 VAL 6 -3.114 1.160 3.700
56 2HG1 VAL 6 2HG1 VAL 6 -4.845 1.222 4.027
57 3HG1 VAL 6 3HG1 VAL 6 -3.871 2.686 4.156
58 1HG2 VAL 6 1HG2 VAL 6 -4.708 4.103 2.646
59 2HG2 VAL 6 2HG2 VAL 6 -6.129 3.124 2.282
60 3HG2 VAL 6 3HG2 VAL 6 -5.075 3.669 0.977
61 H CYS 7 H CYS 7 -3.271 4.677 0.976
62 HA CYS 7 HA CYS 7 -0.915 5.440 2.565
63 1HB CYS 7 2HB CYS 7 -2.323 7.211 0.573
64 2HB CYS 7 1HB CYS 7 -0.697 7.381 1.226
65 H TYR 8 H TYR 8 -1.061 7.340 3.901
66 HA TYR 8 HA TYR 8 -3.795 8.102 4.657
67 1HB TYR 8 2HB TYR 8 -1.600 7.138 6.482
68 2HB TYR 8 1HB TYR 8 -2.945 8.106 7.072
69 HD1 TYR 8 1HD TYR 8 -1.814 4.901 6.954
70 HD2 TYR 8 2HD TYR 8 -5.311 7.123 5.988
71 HE1 TYR 8 1HE TYR 8 -3.168 2.861 7.189
72 HE2 TYR 8 2HE TYR 8 -6.675 5.090 6.220
73 HH TYR 8 HH TYR 8 -5.483 2.063 6.201
74 H ARG 9 H ARG 9 -3.952 10.209 4.297
75 HA ARG 9 HA ARG 9 -3.530 12.442 4.304
76 1HB ARG 9 2HB ARG 9 -1.955 11.427 6.588
77 2HB ARG 9 1HB ARG 9 -1.463 12.998 5.974
78 1HG ARG 9 2HG ARG 9 -3.034 13.314 7.751
79 2HG ARG 9 1HG ARG 9 -3.797 13.782 6.230
80 1HD ARG 9 2HD ARG 9 -5.358 12.504 7.550
81 2HD ARG 9 1HD ARG 9 -4.883 11.565 6.135
82 HE ARG 9 HE ARG 9 -4.028 9.990 7.541
83 1HH1 ARG 9 1HH1 ARG 9 -4.273 12.999 9.292
84 2HH1 ARG 9 2HH1 ARG 9 -3.798 12.302 10.805
85 1HH2 ARG 9 1HH2 ARG 9 -3.403 9.072 9.529
86 2HH2 ARG 9 2HH2 ARG 9 -3.304 10.073 10.940
87 H GLY 10 H GLY 10 -0.198 11.416 4.976
88 1HA GLY 10 2HA GLY 10 0.534 12.096 2.213
89 2HA GLY 10 1HA GLY 10 1.334 12.939 3.530
90 H ILE 11 H ILE 11 0.428 9.591 3.840
91 HA ILE 11 HA ILE 11 3.196 8.765 3.324
92 HB ILE 11 HB ILE 11 2.793 9.153 5.793
93 1HG1 ILE 11 2HG1 ILE 11 4.583 7.684 4.843
94 2HG1 ILE 11 1HG1 ILE 11 4.059 7.222 6.458
95 1HG2 ILE 11 1HG2 ILE 11 1.429 7.750 7.056
96 2HG2 ILE 11 2HG2 ILE 11 1.266 6.576 5.751
97 3HG2 ILE 11 3HG2 ILE 11 0.447 8.133 5.643
98 1HD1 ILE 11 1HD1 ILE 11 3.900 5.761 3.932
99 2HD1 ILE 11 2HD1 ILE 11 2.436 5.691 4.913
100 3HD1 ILE 11 3HD1 ILE 11 3.977 5.167 5.591
101 H CYS 12 H CYS 12 3.275 7.070 2.012
102 HA CYS 12 HA CYS 12 0.847 5.461 1.651
103 1HB CYS 12 2HB CYS 12 3.185 6.097 -0.121
104 2HB CYS 12 1HB CYS 12 2.192 4.679 -0.438
105 H TYR 13 H TYR 13 0.794 3.600 2.703
106 HA TYR 13 HA TYR 13 3.308 2.259 3.379
107 1HB TYR 13 2HB TYR 13 0.599 2.350 4.565
108 2HB TYR 13 1HB TYR 13 1.424 0.797 4.656
109 HD1 TYR 13 1HD TYR 13 1.238 4.164 5.953
110 HD2 TYR 13 2HD TYR 13 3.634 0.650 5.818
111 HE1 TYR 13 1HE TYR 13 2.510 4.964 7.900
112 HE2 TYR 13 2HE TYR 13 4.912 1.440 7.765
113 HH TYR 13 HH TYR 13 5.406 3.881 8.777
114 H ARG 14 H ARG 14 3.938 1.039 1.692
115 HA ARG 14 HA ARG 14 2.009 -0.513 0.178
116 1HB ARG 14 2HB ARG 14 5.013 -0.479 -0.113
117 2HB ARG 14 1HB ARG 14 3.838 -1.053 -1.288
118 1HG ARG 14 2HG ARG 14 3.336 1.027 -2.014
119 2HG ARG 14 1HG ARG 14 3.579 1.760 -0.428
120 1HD ARG 14 2HD ARG 14 5.249 2.368 -2.244
121 2HD ARG 14 1HD ARG 14 5.910 1.838 -0.701
122 HE ARG 14 HE ARG 14 5.926 0.342 -3.218
123 1HH1 ARG 14 1HH1 ARG 14 6.823 0.527 0.159
124 2HH1 ARG 14 2HH1 ARG 14 7.983 -0.752 0.042
125 1HH2 ARG 14 1HH2 ARG 14 7.449 -1.338 -3.358
126 2HH2 ARG 14 2HH2 ARG 14 8.338 -1.810 -1.949
127 H ARG 15 H ARG 15 4.129 -0.956 2.838
128 HA ARG 15 HA ARG 15 4.773 -3.662 2.620
129 1HB ARG 15 2HB ARG 15 4.758 -1.635 4.719
130 2HB ARG 15 1HB ARG 15 4.419 -3.247 5.338
131 1HG ARG 15 2HG ARG 15 6.775 -2.830 5.467
132 2HG ARG 15 1HG ARG 15 6.476 -4.061 4.240
133 1HD ARG 15 2HD ARG 15 6.487 -1.299 3.241
134 2HD ARG 15 1HD ARG 15 8.031 -1.859 3.883
135 HE ARG 15 HE ARG 15 6.887 -2.587 1.414
136 1HH1 ARG 15 1HH1 ARG 15 8.624 -3.977 4.103
137 2HH1 ARG 15 2HH1 ARG 15 9.344 -5.230 3.152
138 1HH2 ARG 15 1HH2 ARG 15 7.832 -4.237 0.161
139 2HH2 ARG 15 2HH2 ARG 15 8.895 -5.378 0.913
140 H CYS 16 H CYS 16 3.789 -5.543 3.267
141 HA CYS 16 HA CYS 16 0.923 -5.534 3.274
142 1HB CYS 16 2HB CYS 16 3.069 -7.557 3.134
143 2HB CYS 16 1HB CYS 16 1.575 -8.099 3.892
144 H ARG 17 H ARG 17 3.361 -5.466 5.682
145 HA ARG 17 HA ARG 17 1.480 -6.335 7.758
146 1HB ARG 17 2HB ARG 17 4.472 -5.940 7.780
147 2HB ARG 17 1HB ARG 17 3.536 -6.262 9.233
148 1HG ARG 17 2HG ARG 17 3.905 -8.059 6.851
149 2HG ARG 17 1HG ARG 17 4.468 -8.319 8.502
150 1HD ARG 17 2HD ARG 17 1.624 -8.310 7.513
151 2HD ARG 17 1HD ARG 17 2.532 -9.683 8.143
152 HE ARG 17 HE ARG 17 2.581 -8.293 10.290
153 1HH1 ARG 17 1HH1 ARG 17 -0.072 -8.258 8.008
154 2HH1 ARG 17 2HH1 ARG 17 -1.252 -7.853 9.206
155 1HH2 ARG 17 1HH2 ARG 17 1.022 -7.758 11.854
156 2HH2 ARG 17 2HH2 ARG 17 -0.634 -7.569 11.384
Start of MODEL 2
1 1H LYS 1 1HT LYS 1 -6.948 -9.514 6.612
2 2H LYS 1 2HT LYS 1 -6.915 -7.922 7.255
3 3H LYS 1 3HT LYS 1 -7.190 -8.169 5.578
4 HA LYS 1 HA LYS 1 -9.188 -9.490 6.281
5 1HB LYS 1 2HB LYS 1 -8.544 -7.937 8.796
6 2HB LYS 1 1HB LYS 1 -10.085 -8.726 8.487
7 1HG LYS 1 2HG LYS 1 -7.649 -10.391 8.262
8 2HG LYS 1 1HG LYS 1 -8.132 -9.871 9.877
9 1HD LYS 1 2HD LYS 1 -9.215 -11.928 9.574
10 2HD LYS 1 1HD LYS 1 -10.465 -10.723 9.257
11 1HE LYS 1 2HE LYS 1 -10.334 -12.655 7.629
12 2HE LYS 1 1HE LYS 1 -10.318 -11.038 6.924
13 1HZ LYS 1 1HZ LYS 1 -8.609 -12.856 6.181
14 2HZ LYS 1 2HZ LYS 1 -7.752 -12.317 7.537
15 3HZ LYS 1 3HZ LYS 1 -8.148 -11.231 6.300
16 H TRP 2 H TRP 2 -8.669 -6.258 7.693
17 HA TRP 2 HA TRP 2 -10.694 -5.216 5.842
18 1HB TRP 2 2HB TRP 2 -10.545 -4.948 8.552
19 2HB TRP 2 1HB TRP 2 -9.758 -3.466 8.020
20 HD1 TRP 2 HD TRP 2 -13.022 -5.343 7.027
21 HE1 TRP 2 1HE TRP 2 -14.885 -3.589 6.769
22 HE3 TRP 2 3HE TRP 2 -10.322 -1.130 8.074
23 HZ2 TRP 2 2HZ TRP 2 -15.175 -0.789 6.983
24 HZ3 TRP 2 3HZ TRP 2 -11.467 1.047 8.026
25 HH2 TRP 2 HH TRP 2 -13.844 1.212 7.491
26 H CYS 3 H CYS 3 -7.355 -5.092 6.600
27 HA CYS 3 HA CYS 3 -6.924 -2.590 5.176
28 1HB CYS 3 2HB CYS 3 -4.663 -4.319 6.083
29 2HB CYS 3 1HB CYS 3 -4.790 -2.564 6.062
30 H PHE 4 H PHE 4 -5.285 -2.506 3.433
31 HA PHE 4 HA PHE 4 -4.682 -4.923 2.001
32 1HB PHE 4 2HB PHE 4 -5.871 -3.927 -0.111
33 2HB PHE 4 1HB PHE 4 -6.792 -4.874 1.052
34 HD1 PHE 4 1HD PHE 4 -8.935 -4.053 1.124
35 HD2 PHE 4 2HD PHE 4 -5.679 -1.312 1.061
36 HE1 PHE 4 1HE PHE 4 -10.507 -2.181 1.406
37 HE2 PHE 4 2HE PHE 4 -7.245 0.563 1.344
38 HZ PHE 4 HZ PHE 4 -9.662 0.129 1.518
39 H ARG 5 H ARG 5 -3.324 -2.557 3.131
40 HA ARG 5 HA ARG 5 -1.557 -1.218 2.631
41 1HB ARG 5 2HB ARG 5 -1.189 -3.416 1.101
42 2HB ARG 5 1HB ARG 5 -1.286 -2.185 -0.151
43 1HG ARG 5 2HG ARG 5 0.997 -2.413 0.366
44 2HG ARG 5 1HG ARG 5 0.475 -0.914 1.138
45 1HD ARG 5 2HD ARG 5 1.373 -1.719 3.013
46 2HD ARG 5 1HD ARG 5 0.010 -2.835 3.067
47 HE ARG 5 HE ARG 5 1.423 -4.542 2.484
48 1HH1 ARG 5 1HH1 ARG 5 3.020 -1.496 1.902
49 2HH1 ARG 5 2HH1 ARG 5 4.558 -2.220 1.574
50 1HH2 ARG 5 1HH2 ARG 5 3.444 -5.499 2.054
51 2HH2 ARG 5 2HH2 ARG 5 4.798 -4.494 1.661
52 H VAL 6 H VAL 6 -1.474 0.878 2.065
53 HA VAL 6 HA VAL 6 -2.225 1.978 -0.380
54 HB VAL 6 HB VAL 6 -4.518 1.205 0.670
55 1HG1 VAL 6 1HG1 VAL 6 -3.926 2.623 2.767
56 2HG1 VAL 6 2HG1 VAL 6 -5.578 2.618 2.148
57 3HG1 VAL 6 3HG1 VAL 6 -4.506 3.972 1.790
58 1HG2 VAL 6 1HG2 VAL 6 -5.486 2.472 -0.917
59 2HG2 VAL 6 2HG2 VAL 6 -3.818 2.851 -1.343
60 3HG2 VAL 6 3HG2 VAL 6 -4.745 3.962 -0.332
61 H CYS 7 H CYS 7 -2.762 4.470 -0.060
62 HA CYS 7 HA CYS 7 -0.774 5.452 1.860
63 1HB CYS 7 2HB CYS 7 -1.989 7.074 -0.366
64 2HB CYS 7 1HB CYS 7 -0.454 7.319 0.457
65 H TYR 8 H TYR 8 -1.210 7.325 3.134
66 HA TYR 8 HA TYR 8 -3.787 8.524 3.234
67 1HB TYR 8 2HB TYR 8 -3.193 6.251 5.063
68 2HB TYR 8 1HB TYR 8 -4.041 7.639 5.737
69 HD1 TYR 8 1HD TYR 8 -5.996 8.503 4.015
70 HD2 TYR 8 2HD TYR 8 -4.549 4.521 4.396
71 HE1 TYR 8 1HE TYR 8 -8.116 7.651 3.104
72 HE2 TYR 8 2HE TYR 8 -6.663 3.659 3.485
73 HH TYR 8 HH TYR 8 -8.522 4.385 2.143
74 H ARG 9 H ARG 9 -3.985 10.059 5.060
75 HA ARG 9 HA ARG 9 -3.192 11.763 6.333
76 1HB ARG 9 2HB ARG 9 -2.335 10.003 7.790
77 2HB ARG 9 1HB ARG 9 -0.883 9.868 6.809
78 1HG ARG 9 2HG ARG 9 -0.140 11.149 8.558
79 2HG ARG 9 1HG ARG 9 -0.588 12.389 7.386
80 1HD ARG 9 2HD ARG 9 -2.844 11.640 9.025
81 2HD ARG 9 1HD ARG 9 -1.481 12.150 10.019
82 HE ARG 9 HE ARG 9 -3.151 13.825 8.488
83 1HH1 ARG 9 1HH1 ARG 9 0.206 13.391 9.336
84 2HH1 ARG 9 2HH1 ARG 9 0.603 15.065 9.135
85 1HH2 ARG 9 1HH2 ARG 9 -2.631 16.026 8.222
86 2HH2 ARG 9 2HH2 ARG 9 -1.008 16.562 8.503
87 H GLY 10 H GLY 10 -0.044 10.553 5.201
88 1HA GLY 10 2HA GLY 10 0.189 12.553 3.159
89 2HA GLY 10 1HA GLY 10 1.102 12.966 4.602
90 H ILE 11 H ILE 11 0.617 9.673 3.522
91 HA ILE 11 HA ILE 11 3.132 9.497 2.150
92 HB ILE 11 HB ILE 11 3.961 7.683 3.789
93 1HG1 ILE 11 2HG1 ILE 11 3.366 8.160 6.161
94 2HG1 ILE 11 1HG1 ILE 11 2.137 9.288 5.596
95 1HG2 ILE 11 1HG2 ILE 11 4.166 10.450 4.904
96 2HG2 ILE 11 2HG2 ILE 11 4.848 10.069 3.323
97 3HG2 ILE 11 3HG2 ILE 11 5.409 9.209 4.757
98 1HD1 ILE 11 1HD1 ILE 11 0.709 7.645 5.027
99 2HD1 ILE 11 2HD1 ILE 11 1.638 6.736 6.217
100 3HD1 ILE 11 3HD1 ILE 11 1.993 6.560 4.499
101 H CYS 12 H CYS 12 3.665 7.061 1.780
102 HA CYS 12 HA CYS 12 1.124 5.658 1.272
103 1HB CYS 12 2HB CYS 12 3.601 5.933 -0.404
104 2HB CYS 12 1HB CYS 12 2.527 4.555 -0.618
105 H TYR 13 H TYR 13 0.997 4.184 2.872
106 HA TYR 13 HA TYR 13 3.184 2.243 3.044
107 1HB TYR 13 2HB TYR 13 2.049 3.868 5.275
108 2HB TYR 13 1HB TYR 13 2.534 2.209 5.610
109 HD1 TYR 13 1HD TYR 13 3.702 5.557 4.689
110 HD2 TYR 13 2HD TYR 13 4.864 1.552 5.530
111 HE1 TYR 13 1HE TYR 13 6.039 6.287 4.908
112 HE2 TYR 13 2HE TYR 13 7.201 2.271 5.752
113 HH TYR 13 HH TYR 13 8.161 5.295 6.237
114 H ARG 14 H ARG 14 0.642 2.052 5.395
115 HA ARG 14 HA ARG 14 -0.786 0.115 3.719
116 1HB ARG 14 2HB ARG 14 -0.921 -0.817 6.394
117 2HB ARG 14 1HB ARG 14 -0.186 -1.601 5.005
118 1HG ARG 14 2HG ARG 14 1.538 -1.536 6.534
119 2HG ARG 14 1HG ARG 14 1.862 -0.117 5.539
120 1HD ARG 14 2HD ARG 14 2.127 0.445 7.875
121 2HD ARG 14 1HD ARG 14 0.722 1.284 7.218
122 HE ARG 14 HE ARG 14 0.091 -1.222 8.479
123 1HH1 ARG 14 1HH1 ARG 14 0.594 2.194 8.989
124 2HH1 ARG 14 2HH1 ARG 14 -0.356 2.244 10.436
125 1HH2 ARG 14 1HH2 ARG 14 -1.157 -1.157 10.384
126 2HH2 ARG 14 2HH2 ARG 14 -1.348 0.343 11.228
127 H ARG 15 H ARG 15 -1.245 0.971 7.126
128 HA ARG 15 HA ARG 15 -3.030 1.824 8.246
129 1HB ARG 15 2HB ARG 15 -2.427 3.803 6.802
130 2HB ARG 15 1HB ARG 15 -3.669 3.274 5.677
131 1HG ARG 15 2HG ARG 15 -4.449 5.056 7.162
132 2HG ARG 15 1HG ARG 15 -5.377 3.569 7.357
133 1HD ARG 15 2HD ARG 15 -4.154 3.017 9.362
134 2HD ARG 15 1HD ARG 15 -3.093 4.406 9.139
135 HE ARG 15 HE ARG 15 -5.533 5.541 9.271
136 1HH1 ARG 15 1HH1 ARG 15 -3.884 3.243 11.318
137 2HH1 ARG 15 2HH1 ARG 15 -4.689 3.761 12.760
138 1HH2 ARG 15 1HH2 ARG 15 -6.592 6.225 11.168
139 2HH2 ARG 15 2HH2 ARG 15 -6.227 5.453 12.675
140 H CYS 16 H CYS 16 -5.427 1.838 8.345
141 HA CYS 16 HA CYS 16 -6.678 0.051 6.385
142 1HB CYS 16 2HB CYS 16 -7.163 -0.300 9.338
143 2HB CYS 16 1HB CYS 16 -7.570 -1.398 8.022
144 H ARG 17 H ARG 17 -7.380 2.333 5.820
145 HA ARG 17 HA ARG 17 -9.901 2.892 7.224
146 1HB ARG 17 2HB ARG 17 -7.757 4.526 7.491
147 2HB ARG 17 1HB ARG 17 -8.501 5.221 6.059
148 1HG ARG 17 2HG ARG 17 -9.935 4.748 8.662
149 2HG ARG 17 1HG ARG 17 -9.215 6.284 8.175
150 1HD ARG 17 2HD ARG 17 -10.685 6.390 6.247
151 2HD ARG 17 1HD ARG 17 -11.365 4.816 6.654
152 HE ARG 17 HE ARG 17 -12.014 7.350 7.845
153 1HH1 ARG 17 1HH1 ARG 17 -11.987 3.890 8.313
154 2HH1 ARG 17 2HH1 ARG 17 -13.245 3.917 9.504
155 1HH2 ARG 17 1HH2 ARG 17 -13.666 7.385 9.412
156 2HH2 ARG 17 2HH2 ARG 17 -14.198 5.900 10.128
Start of MODEL 3
1 1H LYS 1 1HT LYS 1 4.808 8.073 9.124
2 2H LYS 1 2HT LYS 1 5.562 6.969 10.199
3 3H LYS 1 3HT LYS 1 4.095 6.542 9.417
4 HA LYS 1 HA LYS 1 5.362 6.897 7.283
5 1HB LYS 1 2HB LYS 1 7.749 6.641 7.440
6 2HB LYS 1 1HB LYS 1 7.273 7.982 8.471
7 1HG LYS 1 2HG LYS 1 8.562 6.997 10.004
8 2HG LYS 1 1HG LYS 1 7.202 5.894 10.220
9 1HD LYS 1 2HD LYS 1 9.162 4.566 9.941
10 2HD LYS 1 1HD LYS 1 8.219 4.433 8.456
11 1HE LYS 1 2HE LYS 1 9.751 6.502 7.775
12 2HE LYS 1 1HE LYS 1 10.835 5.745 8.941
13 1HZ LYS 1 1HZ LYS 1 10.650 3.673 7.690
14 2HZ LYS 1 2HZ LYS 1 11.256 4.922 6.723
15 3HZ LYS 1 3HZ LYS 1 9.646 4.430 6.556
16 H TRP 2 H TRP 2 5.508 4.995 6.178
17 HA TRP 2 HA TRP 2 5.326 2.768 5.751
18 1HB TRP 2 2HB TRP 2 7.513 2.590 6.769
19 2HB TRP 2 1HB TRP 2 6.810 2.592 8.381
20 HD1 TRP 2 HD TRP 2 6.944 0.346 5.234
21 HE1 TRP 2 1HE TRP 2 6.690 -2.099 5.990
22 HE3 TRP 2 3HE TRP 2 6.091 1.118 10.217
23 HZ2 TRP 2 2HZ TRP 2 6.194 -3.517 8.379
24 HZ3 TRP 2 3HZ TRP 2 5.736 -0.838 11.668
25 HH2 TRP 2 HH TRP 2 5.786 -3.107 10.767
26 H CYS 3 H CYS 3 3.039 2.835 5.896
27 HA CYS 3 HA CYS 3 2.008 1.457 8.267
28 1HB CYS 3 2HB CYS 3 1.446 4.049 7.851
29 2HB CYS 3 1HB CYS 3 0.166 3.325 6.884
30 H PHE 4 H PHE 4 -0.518 0.928 7.610
31 HA PHE 4 HA PHE 4 -0.422 -1.297 6.020
32 1HB PHE 4 2HB PHE 4 -2.421 0.141 7.410
33 2HB PHE 4 1HB PHE 4 -3.047 -0.163 5.791
34 HD1 PHE 4 1HD PHE 4 -0.845 -2.210 7.994
35 HD2 PHE 4 2HD PHE 4 -4.569 -1.888 5.959
36 HE1 PHE 4 1HE PHE 4 -1.398 -4.516 8.649
37 HE2 PHE 4 2HE PHE 4 -5.129 -4.193 6.612
38 HZ PHE 4 HZ PHE 4 -3.541 -5.510 7.958
39 H ARG 5 H ARG 5 -2.104 -1.531 4.089
40 HA ARG 5 HA ARG 5 -0.862 -0.441 1.834
41 1HB ARG 5 2HB ARG 5 -2.287 -2.561 2.044
42 2HB ARG 5 1HB ARG 5 -3.671 -1.501 1.835
43 1HG ARG 5 2HG ARG 5 -2.850 -2.651 -0.238
44 2HG ARG 5 1HG ARG 5 -3.006 -0.898 -0.349
45 1HD ARG 5 2HD ARG 5 -0.811 -0.618 -0.702
46 2HD ARG 5 1HD ARG 5 -0.373 -1.784 0.545
47 HE ARG 5 HE ARG 5 -1.292 -3.325 -1.498
48 1HH1 ARG 5 1HH1 ARG 5 1.152 -0.845 -1.240
49 2HH1 ARG 5 2HH1 ARG 5 2.146 -1.521 -2.489
50 1HH2 ARG 5 1HH2 ARG 5 0.012 -4.211 -3.139
51 2HH2 ARG 5 2HH2 ARG 5 1.498 -3.430 -3.568
52 H VAL 6 H VAL 6 -1.431 1.104 0.367
53 HA VAL 6 HA VAL 6 -2.579 2.879 -0.559
54 HB VAL 6 HB VAL 6 -4.369 3.011 1.862
55 1HG1 VAL 6 1HG1 VAL 6 -4.785 4.926 0.696
56 2HG1 VAL 6 2HG1 VAL 6 -5.904 3.835 -0.123
57 3HG1 VAL 6 3HG1 VAL 6 -4.344 4.212 -0.855
58 1HG2 VAL 6 1HG2 VAL 6 -4.211 0.884 -0.020
59 2HG2 VAL 6 2HG2 VAL 6 -5.706 1.772 -0.311
60 3HG2 VAL 6 3HG2 VAL 6 -5.369 1.113 1.288
61 H CYS 7 H CYS 7 -2.780 5.235 -0.132
62 HA CYS 7 HA CYS 7 -0.686 6.036 1.708
63 1HB CYS 7 2HB CYS 7 -0.919 6.820 -0.750
64 2HB CYS 7 1HB CYS 7 -2.153 7.909 -0.120
65 H TYR 8 H TYR 8 -1.249 6.440 3.722
66 HA TYR 8 HA TYR 8 -3.906 7.457 4.331
67 1HB TYR 8 2HB TYR 8 -1.657 6.507 6.113
68 2HB TYR 8 1HB TYR 8 -3.216 7.074 6.703
69 HD1 TYR 8 1HD TYR 8 -4.912 5.788 4.507
70 HD2 TYR 8 2HD TYR 8 -1.755 4.284 6.931
71 HE1 TYR 8 1HE TYR 8 -5.827 3.518 4.281
72 HE2 TYR 8 2HE TYR 8 -2.660 2.009 6.709
73 HH TYR 8 HH TYR 8 -5.762 1.380 5.469
74 H ARG 9 H ARG 9 -4.045 9.585 3.953
75 HA ARG 9 HA ARG 9 -3.797 11.817 4.263
76 1HB ARG 9 2HB ARG 9 -3.222 10.677 6.719
77 2HB ARG 9 1HB ARG 9 -1.860 11.750 6.440
78 1HG ARG 9 2HG ARG 9 -4.754 12.571 6.306
79 2HG ARG 9 1HG ARG 9 -3.693 12.813 7.695
80 1HD ARG 9 2HD ARG 9 -2.381 13.827 5.385
81 2HD ARG 9 1HD ARG 9 -4.025 14.459 5.404
82 HE ARG 9 HE ARG 9 -3.518 15.679 7.289
83 1HH1 ARG 9 1HH1 ARG 9 -0.922 13.444 6.609
84 2HH1 ARG 9 2HH1 ARG 9 0.159 14.157 7.756
85 1HH2 ARG 9 1HH2 ARG 9 -2.094 16.616 8.797
86 2HH2 ARG 9 2HH2 ARG 9 -0.505 15.959 8.999
87 H GLY 10 H GLY 10 -0.558 10.694 5.291
88 1HA GLY 10 2HA GLY 10 0.538 12.284 3.052
89 2HA GLY 10 1HA GLY 10 1.279 12.249 4.641
90 H ILE 11 H ILE 11 1.028 9.416 5.077
91 HA ILE 11 HA ILE 11 3.253 8.573 3.396
92 HB ILE 11 HB ILE 11 3.420 6.631 4.899
93 1HG1 ILE 11 2HG1 ILE 11 1.907 7.245 7.109
94 2HG1 ILE 11 1HG1 ILE 11 0.810 7.638 5.788
95 1HG2 ILE 11 1HG2 ILE 11 3.650 9.422 5.754
96 2HG2 ILE 11 2HG2 ILE 11 4.838 8.117 5.780
97 3HG2 ILE 11 3HG2 ILE 11 3.638 8.243 7.066
98 1HD1 ILE 11 1HD1 ILE 11 1.094 5.395 4.881
99 2HD1 ILE 11 2HD1 ILE 11 0.502 5.354 6.542
100 3HD1 ILE 11 3HD1 ILE 11 2.196 5.000 6.201
101 H CYS 12 H CYS 12 3.318 6.569 2.300
102 HA CYS 12 HA CYS 12 0.766 5.226 1.830
103 1HB CYS 12 2HB CYS 12 2.334 5.522 -0.629
104 2HB CYS 12 1HB CYS 12 0.605 5.694 -0.375
105 H TYR 13 H TYR 13 1.152 3.208 2.435
106 HA TYR 13 HA TYR 13 3.335 1.748 1.213
107 1HB TYR 13 2HB TYR 13 3.174 2.102 4.211
108 2HB TYR 13 1HB TYR 13 4.231 0.957 3.392
109 HD1 TYR 13 1HD TYR 13 3.860 4.349 4.517
110 HD2 TYR 13 2HD TYR 13 5.942 1.858 1.763
111 HE1 TYR 13 1HE TYR 13 5.571 6.089 4.240
112 HE2 TYR 13 2HE TYR 13 7.654 3.589 1.481
113 HH TYR 13 HH TYR 13 8.513 5.606 3.049
114 H ARG 14 H ARG 14 3.196 -0.480 3.064
115 HA ARG 14 HA ARG 14 0.401 -1.320 2.784
116 1HB ARG 14 2HB ARG 14 1.420 -2.312 0.907
117 2HB ARG 14 1HB ARG 14 2.861 -2.746 1.813
118 1HG ARG 14 2HG ARG 14 1.529 -4.704 1.311
119 2HG ARG 14 1HG ARG 14 1.579 -4.420 3.050
120 1HD ARG 14 2HD ARG 14 -0.627 -3.394 2.960
121 2HD ARG 14 1HD ARG 14 -0.670 -3.615 1.213
122 HE ARG 14 HE ARG 14 -1.144 -5.848 1.520
123 1HH1 ARG 14 1HH1 ARG 14 -0.296 -4.397 4.581
124 2HH1 ARG 14 2HH1 ARG 14 -0.805 -5.764 5.511
125 1HH2 ARG 14 1HH2 ARG 14 -1.810 -7.647 2.745
126 2HH2 ARG 14 2HH2 ARG 14 -1.662 -7.609 4.471
127 H ARG 15 H ARG 15 3.030 -1.020 4.862
128 HA ARG 15 HA ARG 15 1.731 -2.850 6.751
129 1HB ARG 15 2HB ARG 15 4.727 -2.679 6.432
130 2HB ARG 15 1HB ARG 15 3.837 -3.746 7.508
131 1HG ARG 15 2HG ARG 15 4.293 -5.199 5.826
132 2HG ARG 15 1HG ARG 15 2.758 -4.556 5.241
133 1HD ARG 15 2HD ARG 15 4.364 -4.601 3.435
134 2HD ARG 15 1HD ARG 15 3.997 -2.929 3.862
135 HE ARG 15 HE ARG 15 6.317 -3.986 5.191
136 1HH1 ARG 15 1HH1 ARG 15 5.140 -2.412 2.307
137 2HH1 ARG 15 2HH1 ARG 15 6.677 -1.717 1.909
138 1HH2 ARG 15 1HH2 ARG 15 8.335 -3.075 4.671
139 2HH2 ARG 15 2HH2 ARG 15 8.491 -2.094 3.252
140 H CYS 16 H CYS 16 1.766 -2.238 8.891
141 HA CYS 16 HA CYS 16 3.065 0.328 9.519
142 1HB CYS 16 2HB CYS 16 0.397 0.165 9.176
143 2HB CYS 16 1HB CYS 16 0.495 -0.280 10.876
144 H ARG 17 H ARG 17 2.873 0.681 12.036
145 HA ARG 17 HA ARG 17 4.460 -1.285 13.258
146 1HB ARG 17 2HB ARG 17 3.327 1.279 13.970
147 2HB ARG 17 1HB ARG 17 3.235 0.164 15.326
148 1HG ARG 17 2HG ARG 17 5.304 0.921 15.747
149 2HG ARG 17 1HG ARG 17 5.771 -0.269 14.529
150 1HD ARG 17 2HD ARG 17 5.571 1.519 12.805
151 2HD ARG 17 1HD ARG 17 5.287 2.677 14.104
152 HE ARG 17 HE ARG 17 7.629 1.466 14.788
153 1HH1 ARG 17 1HH1 ARG 17 6.491 3.152 11.951
154 2HH1 ARG 17 2HH1 ARG 17 8.060 3.738 11.516
155 1HH2 ARG 17 1HH2 ARG 17 9.694 2.236 14.217
156 2HH2 ARG 17 2HH2 ARG 17 9.882 3.217 12.803
Start of MODEL 4
1 1H LYS 1 1HT LYS 1 -11.166 -2.654 6.857
2 2H LYS 1 2HT LYS 1 -11.887 -1.231 7.491
3 3H LYS 1 3HT LYS 1 -12.635 -2.756 7.733
4 HA LYS 1 HA LYS 1 -11.401 -1.797 9.643
5 1HB LYS 1 2HB LYS 1 -12.102 -4.211 9.210
6 2HB LYS 1 1HB LYS 1 -10.441 -4.490 8.702
7 1HG LYS 1 2HG LYS 1 -10.626 -5.182 10.964
8 2HG LYS 1 1HG LYS 1 -9.702 -3.679 10.945
9 1HD LYS 1 2HD LYS 1 -11.800 -2.455 11.490
10 2HD LYS 1 1HD LYS 1 -12.616 -4.012 11.650
11 1HE LYS 1 2HE LYS 1 -10.484 -4.410 13.256
12 2HE LYS 1 1HE LYS 1 -10.706 -2.672 13.452
13 1HZ LYS 1 1HZ LYS 1 -12.629 -2.954 14.555
14 2HZ LYS 1 2HZ LYS 1 -12.010 -4.494 14.882
15 3HZ LYS 1 3HZ LYS 1 -13.118 -4.279 13.621
16 H TRP 2 H TRP 2 -9.288 -3.512 7.401
17 HA TRP 2 HA TRP 2 -7.303 -1.480 7.378
18 1HB TRP 2 2HB TRP 2 -7.191 -2.911 9.671
19 2HB TRP 2 1HB TRP 2 -6.166 -3.905 8.643
20 HD1 TRP 2 HD TRP 2 -5.960 -0.231 7.873
21 HE1 TRP 2 1HE TRP 2 -3.738 0.715 8.761
22 HE3 TRP 2 3HE TRP 2 -4.446 -4.219 10.694
23 HZ2 TRP 2 2HZ TRP 2 -1.624 -0.115 10.434
24 HZ3 TRP 2 3HZ TRP 2 -2.310 -4.059 11.907
25 HH2 TRP 2 HH TRP 2 -0.930 -2.050 11.778
26 H CYS 3 H CYS 3 -5.071 -3.343 6.979
27 HA CYS 3 HA CYS 3 -4.143 -4.718 5.408
28 1HB CYS 3 2HB CYS 3 -6.509 -5.902 5.663
29 2HB CYS 3 1HB CYS 3 -6.742 -5.253 4.043
30 H PHE 4 H PHE 4 -3.078 -4.039 3.657
31 HA PHE 4 HA PHE 4 -2.498 -2.808 1.832
32 1HB PHE 4 2HB PHE 4 -5.461 -2.679 1.244
33 2HB PHE 4 1HB PHE 4 -4.140 -2.488 0.096
34 HD1 PHE 4 1HD PHE 4 -2.640 -4.486 -0.343
35 HD2 PHE 4 2HD PHE 4 -6.373 -4.781 1.680
36 HE1 PHE 4 1HE PHE 4 -2.706 -6.897 -0.824
37 HE2 PHE 4 2HE PHE 4 -6.444 -7.194 1.202
38 HZ PHE 4 HZ PHE 4 -4.610 -8.255 -0.050
39 H ARG 5 H ARG 5 -2.023 -1.223 3.618
40 HA ARG 5 HA ARG 5 -3.753 0.934 4.148
41 1HB ARG 5 2HB ARG 5 -1.459 2.081 4.755
42 2HB ARG 5 1HB ARG 5 -2.132 0.807 5.758
43 1HG ARG 5 2HG ARG 5 -0.612 -0.779 4.970
44 2HG ARG 5 1HG ARG 5 -0.170 0.207 3.574
45 1HD ARG 5 2HD ARG 5 1.541 0.145 5.401
46 2HD ARG 5 1HD ARG 5 1.000 1.761 4.946
47 HE ARG 5 HE ARG 5 -0.562 0.822 7.089
48 1HH1 ARG 5 1HH1 ARG 5 2.678 1.919 6.399
49 2HH1 ARG 5 2HH1 ARG 5 2.952 2.515 8.002
50 1HH2 ARG 5 1HH2 ARG 5 -0.206 1.606 9.197
51 2HH2 ARG 5 2HH2 ARG 5 1.314 2.338 9.590
52 H VAL 6 H VAL 6 -1.824 0.239 1.419
53 HA VAL 6 HA VAL 6 -1.153 1.430 -0.396
54 HB VAL 6 HB VAL 6 -3.267 1.338 -1.238
55 1HG1 VAL 6 1HG1 VAL 6 -4.425 1.407 0.913
56 2HG1 VAL 6 2HG1 VAL 6 -5.254 2.357 -0.316
57 3HG1 VAL 6 3HG1 VAL 6 -4.299 3.164 0.925
58 1HG2 VAL 6 1HG2 VAL 6 -2.005 3.602 -1.762
59 2HG2 VAL 6 2HG2 VAL 6 -3.431 4.290 -0.988
60 3HG2 VAL 6 3HG2 VAL 6 -3.609 3.258 -2.406
61 H CYS 7 H CYS 7 -2.918 4.175 0.897
62 HA CYS 7 HA CYS 7 -0.690 5.508 1.993
63 1HB CYS 7 2HB CYS 7 0.004 5.647 -0.365
64 2HB CYS 7 1HB CYS 7 -1.518 6.437 -0.765
65 H TYR 8 H TYR 8 -1.618 6.644 3.539
66 HA TYR 8 HA TYR 8 -3.962 8.282 2.888
67 1HB TYR 8 2HB TYR 8 -3.740 6.574 5.375
68 2HB TYR 8 1HB TYR 8 -5.077 7.641 4.960
69 HD1 TYR 8 1HD TYR 8 -4.602 4.419 5.372
70 HD2 TYR 8 2HD TYR 8 -5.545 7.024 2.142
71 HE1 TYR 8 1HE TYR 8 -5.714 2.561 4.206
72 HE2 TYR 8 2HE TYR 8 -6.660 5.176 0.968
73 HH TYR 8 HH TYR 8 -6.309 1.946 1.870
74 H ARG 9 H ARG 9 -4.301 10.073 4.324
75 HA ARG 9 HA ARG 9 -3.654 11.857 5.574
76 1HB ARG 9 2HB ARG 9 -2.577 9.590 6.929
77 2HB ARG 9 1HB ARG 9 -1.386 10.881 6.998
78 1HG ARG 9 2HG ARG 9 -2.566 11.413 8.850
79 2HG ARG 9 1HG ARG 9 -3.537 12.293 7.669
80 1HD ARG 9 2HD ARG 9 -5.096 11.112 8.961
81 2HD ARG 9 1HD ARG 9 -4.932 10.168 7.480
82 HE ARG 9 HE ARG 9 -3.115 9.102 9.250
83 1HH1 ARG 9 1HH1 ARG 9 -6.570 9.582 9.168
84 2HH1 ARG 9 2HH1 ARG 9 -6.911 8.198 10.153
85 1HH2 ARG 9 1HH2 ARG 9 -3.560 7.282 10.543
86 2HH2 ARG 9 2HH2 ARG 9 -5.202 6.892 10.933
87 H GLY 10 H GLY 10 -0.610 10.113 4.942
88 1HA GLY 10 2HA GLY 10 0.263 12.072 3.036
89 2HA GLY 10 1HA GLY 10 1.067 12.243 4.587
90 H ILE 11 H ILE 11 0.943 9.269 5.021
91 HA ILE 11 HA ILE 11 3.359 8.666 3.526
92 HB ILE 11 HB ILE 11 2.485 8.080 6.123
93 1HG1 ILE 11 2HG1 ILE 11 4.769 8.509 5.650
94 2HG1 ILE 11 1HG1 ILE 11 4.700 6.849 6.232
95 1HG2 ILE 11 1HG2 ILE 11 2.780 5.513 4.569
96 2HG2 ILE 11 2HG2 ILE 11 1.270 6.134 5.236
97 3HG2 ILE 11 3HG2 ILE 11 2.586 5.671 6.316
98 1HD1 ILE 11 1HD1 ILE 11 6.138 6.735 4.425
99 2HD1 ILE 11 2HD1 ILE 11 5.176 7.856 3.462
100 3HD1 ILE 11 3HD1 ILE 11 4.597 6.216 3.742
101 H CYS 12 H CYS 12 3.620 6.903 2.159
102 HA CYS 12 HA CYS 12 1.128 5.579 1.320
103 1HB CYS 12 2HB CYS 12 3.484 6.233 -0.453
104 2HB CYS 12 1HB CYS 12 1.956 5.524 -0.956
105 H TYR 13 H TYR 13 1.234 3.623 2.235
106 HA TYR 13 HA TYR 13 3.513 1.931 1.516
107 1HB TYR 13 2HB TYR 13 2.612 2.632 4.250
108 2HB TYR 13 1HB TYR 13 2.984 0.934 3.968
109 HD1 TYR 13 1HD TYR 13 4.343 4.310 4.219
110 HD2 TYR 13 2HD TYR 13 5.261 0.236 3.412
111 HE1 TYR 13 1HE TYR 13 6.737 4.802 4.496
112 HE2 TYR 13 2HE TYR 13 7.656 0.715 3.687
113 HH TYR 13 HH TYR 13 8.887 3.902 3.853
114 H ARG 14 H ARG 14 3.003 -0.421 1.873
115 HA ARG 14 HA ARG 14 0.139 -1.017 1.784
116 1HB ARG 14 2HB ARG 14 0.914 -0.736 -0.558
117 2HB ARG 14 1HB ARG 14 2.096 -2.012 -0.295
118 1HG ARG 14 2HG ARG 14 -0.549 -2.889 0.443
119 2HG ARG 14 1HG ARG 14 -0.514 -2.291 -1.217
120 1HD ARG 14 2HD ARG 14 1.789 -3.942 -0.640
121 2HD ARG 14 1HD ARG 14 0.285 -4.803 -0.315
122 HE ARG 14 HE ARG 14 0.079 -3.530 -2.805
123 1HH1 ARG 14 1HH1 ARG 14 1.811 -6.150 -1.284
124 2HH1 ARG 14 2HH1 ARG 14 1.986 -7.051 -2.752
125 1HH2 ARG 14 1HH2 ARG 14 0.307 -4.714 -4.737
126 2HH2 ARG 14 2HH2 ARG 14 1.133 -6.237 -4.712
127 H ARG 15 H ARG 15 0.286 -2.037 3.766
128 HA ARG 15 HA ARG 15 1.494 -4.688 3.679
129 1HB ARG 15 2HB ARG 15 2.027 -2.818 5.990
130 2HB ARG 15 1HB ARG 15 2.646 -4.450 5.785
131 1HG ARG 15 2HG ARG 15 3.301 -2.150 3.959
132 2HG ARG 15 1HG ARG 15 4.304 -2.668 5.315
133 1HD ARG 15 2HD ARG 15 5.039 -4.519 4.242
134 2HD ARG 15 1HD ARG 15 3.510 -4.771 3.403
135 HE ARG 15 HE ARG 15 4.403 -3.686 1.616
136 1HH1 ARG 15 1HH1 ARG 15 6.116 -2.645 4.473
137 2HH1 ARG 15 2HH1 ARG 15 7.239 -1.663 3.593
138 1HH2 ARG 15 1HH2 ARG 15 5.879 -2.394 0.458
139 2HH2 ARG 15 2HH2 ARG 15 7.104 -1.520 1.314
140 H CYS 16 H CYS 16 0.217 -6.178 4.581
141 HA CYS 16 HA CYS 16 -2.177 -5.252 5.987
142 1HB CYS 16 2HB CYS 16 -2.301 -6.802 3.973
143 2HB CYS 16 1HB CYS 16 -1.617 -8.052 5.008
144 H ARG 17 H ARG 17 -1.012 -4.817 7.962
145 HA ARG 17 HA ARG 17 -0.404 -5.306 10.098
146 1HB ARG 17 2HB ARG 17 -2.472 -6.620 10.117
147 2HB ARG 17 1HB ARG 17 -1.613 -8.002 9.450
148 1HG ARG 17 2HG ARG 17 -1.879 -8.368 11.781
149 2HG ARG 17 1HG ARG 17 -0.178 -7.998 11.493
150 1HD ARG 17 2HD ARG 17 -0.986 -5.539 11.993
151 2HD ARG 17 1HD ARG 17 -2.277 -6.380 12.849
152 HE ARG 17 HE ARG 17 -0.763 -7.012 14.455
153 1HH1 ARG 17 1HH1 ARG 17 0.958 -5.768 11.685
154 2HH1 ARG 17 2HH1 ARG 17 2.490 -5.743 12.492
155 1HH2 ARG 17 1HH2 ARG 17 1.249 -6.979 15.518
156 2HH2 ARG 17 2HH2 ARG 17 2.655 -6.431 14.668
Start of MODEL 5
1 1H LYS 1 1HT LYS 1 -0.869 -10.378 11.864
2 2H LYS 1 2HT LYS 1 -0.387 -8.756 11.576
3 3H LYS 1 3HT LYS 1 0.598 -10.056 11.039
4 HA LYS 1 HA LYS 1 -0.868 -10.669 9.406
5 1HB LYS 1 2HB LYS 1 -3.133 -9.684 9.261
6 2HB LYS 1 1HB LYS 1 -2.886 -10.570 10.759
7 1HG LYS 1 2HG LYS 1 -3.199 -8.755 12.023
8 2HG LYS 1 1HG LYS 1 -2.237 -7.729 10.956
9 1HD LYS 1 2HD LYS 1 -4.235 -6.775 10.513
10 2HD LYS 1 1HD LYS 1 -4.406 -8.139 9.404
11 1HE LYS 1 2HE LYS 1 -5.215 -8.679 12.178
12 2HE LYS 1 1HE LYS 1 -6.197 -7.480 11.337
13 1HZ LYS 1 1HZ LYS 1 -6.550 -9.082 9.556
14 2HZ LYS 1 2HZ LYS 1 -7.087 -9.697 11.036
15 3HZ LYS 1 3HZ LYS 1 -5.624 -10.233 10.382
16 H TRP 2 H TRP 2 -0.603 -9.761 7.438
17 HA TRP 2 HA TRP 2 0.182 -6.926 7.359
18 1HB TRP 2 2HB TRP 2 1.377 -9.290 6.293
19 2HB TRP 2 1HB TRP 2 0.880 -8.275 4.944
20 HD1 TRP 2 HD TRP 2 3.175 -7.382 4.178
21 HE1 TRP 2 1HE TRP 2 5.015 -5.947 5.257
22 HE3 TRP 2 3HE TRP 2 1.468 -7.334 9.014
23 HZ2 TRP 2 2HZ TRP 2 5.664 -4.932 7.800
24 HZ3 TRP 2 3HZ TRP 2 2.766 -6.107 10.700
25 HH2 TRP 2 HH TRP 2 4.820 -4.930 10.106
26 H CYS 3 H CYS 3 -1.087 -5.522 6.247
27 HA CYS 3 HA CYS 3 -2.388 -5.958 3.871
28 1HB CYS 3 2HB CYS 3 -4.814 -5.997 4.909
29 2HB CYS 3 1HB CYS 3 -3.933 -7.490 4.613
30 H PHE 4 H PHE 4 -1.222 -3.811 4.181
31 HA PHE 4 HA PHE 4 -3.270 -1.791 4.563
32 1HB PHE 4 2HB PHE 4 -1.678 -2.273 6.698
33 2HB PHE 4 1HB PHE 4 -0.714 -1.065 5.856
34 HD1 PHE 4 1HD PHE 4 -3.725 -1.701 7.772
35 HD2 PHE 4 2HD PHE 4 -1.607 1.191 5.478
36 HE1 PHE 4 1HE PHE 4 -5.138 0.077 8.718
37 HE2 PHE 4 2HE PHE 4 -3.014 2.974 6.422
38 HZ PHE 4 HZ PHE 4 -4.781 2.419 8.045
39 H ARG 5 H ARG 5 -2.914 -1.879 2.219
40 HA ARG 5 HA ARG 5 -0.488 -0.448 1.370
41 1HB ARG 5 2HB ARG 5 -1.377 -2.773 0.386
42 2HB ARG 5 1HB ARG 5 -2.307 -1.682 -0.630
43 1HG ARG 5 2HG ARG 5 0.690 -1.727 -0.345
44 2HG ARG 5 1HG ARG 5 -0.243 -2.324 -1.719
45 1HD ARG 5 2HD ARG 5 -1.174 0.225 -1.489
46 2HD ARG 5 1HD ARG 5 0.506 0.417 -0.988
47 HE ARG 5 HE ARG 5 -0.436 -0.009 -3.624
48 1HH1 ARG 5 1HH1 ARG 5 2.186 -0.853 -1.482
49 2HH1 ARG 5 2HH1 ARG 5 3.330 -1.071 -2.764
50 1HH2 ARG 5 1HH2 ARG 5 1.066 -0.298 -5.312
51 2HH2 ARG 5 2HH2 ARG 5 2.694 -0.755 -4.937
52 H VAL 6 H VAL 6 -1.198 1.642 1.857
53 HA VAL 6 HA VAL 6 -2.689 2.930 -0.178
54 HB VAL 6 HB VAL 6 -4.602 1.956 1.009
55 1HG1 VAL 6 1HG1 VAL 6 -3.250 2.145 3.268
56 2HG1 VAL 6 2HG1 VAL 6 -5.014 2.162 3.248
57 3HG1 VAL 6 3HG1 VAL 6 -4.120 3.676 3.387
58 1HG2 VAL 6 1HG2 VAL 6 -4.525 4.914 1.556
59 2HG2 VAL 6 2HG2 VAL 6 -5.918 3.918 1.134
60 3HG2 VAL 6 3HG2 VAL 6 -4.671 4.243 -0.068
61 H CYS 7 H CYS 7 -2.839 5.252 0.137
62 HA CYS 7 HA CYS 7 -0.620 6.225 1.744
63 1HB CYS 7 2HB CYS 7 -2.092 7.167 -0.631
64 2HB CYS 7 1HB CYS 7 -1.554 8.431 0.469
65 H TYR 8 H TYR 8 -1.267 6.348 3.831
66 HA TYR 8 HA TYR 8 -3.784 7.634 4.510
67 1HB TYR 8 2HB TYR 8 -2.079 5.712 5.749
68 2HB TYR 8 1HB TYR 8 -2.211 7.095 6.829
69 HD1 TYR 8 1HD TYR 8 -4.770 5.718 4.504
70 HD2 TYR 8 2HD TYR 8 -3.593 6.325 8.548
71 HE1 TYR 8 1HE TYR 8 -6.967 4.911 5.259
72 HE2 TYR 8 2HE TYR 8 -5.787 5.519 9.313
73 HH TYR 8 HH TYR 8 -7.618 4.047 8.435
74 H ARG 9 H ARG 9 -3.965 9.727 4.949
75 HA ARG 9 HA ARG 9 -3.481 11.864 5.565
76 1HB ARG 9 2HB ARG 9 -2.409 10.682 7.540
77 2HB ARG 9 1HB ARG 9 -0.876 10.838 6.691
78 1HG ARG 9 2HG ARG 9 -0.648 12.801 7.695
79 2HG ARG 9 1HG ARG 9 -1.929 13.398 6.638
80 1HD ARG 9 2HD ARG 9 -2.473 13.926 8.927
81 2HD ARG 9 1HD ARG 9 -3.594 12.704 8.329
82 HE ARG 9 HE ARG 9 -1.672 11.230 9.522
83 1HH1 ARG 9 1HH1 ARG 9 -3.583 13.950 10.585
84 2HH1 ARG 9 2HH1 ARG 9 -3.568 13.470 12.249
85 1HH2 ARG 9 1HH2 ARG 9 -1.653 10.596 11.711
86 2HH2 ARG 9 2HH2 ARG 9 -2.473 11.567 12.887
87 H GLY 10 H GLY 10 -0.264 10.496 4.824
88 1HA GLY 10 2HA GLY 10 -0.115 11.816 2.291
89 2HA GLY 10 1HA GLY 10 0.805 12.668 3.523
90 H ILE 11 H ILE 11 0.378 9.175 3.314
91 HA ILE 11 HA ILE 11 2.914 8.708 2.078
92 HB ILE 11 HB ILE 11 3.595 9.375 4.383
93 1HG1 ILE 11 2HG1 ILE 11 4.885 7.782 2.893
94 2HG1 ILE 11 1HG1 ILE 11 5.245 7.684 4.613
95 1HG2 ILE 11 1HG2 ILE 11 1.710 8.523 5.629
96 2HG2 ILE 11 2HG2 ILE 11 3.202 7.797 6.227
97 3HG2 ILE 11 3HG2 ILE 11 2.126 6.868 5.183
98 1HD1 ILE 11 1HD1 ILE 11 4.942 5.499 4.434
99 2HD1 ILE 11 2HD1 ILE 11 4.270 5.658 2.812
100 3HD1 ILE 11 3HD1 ILE 11 3.223 5.825 4.221
101 H CYS 12 H CYS 12 2.926 6.749 1.148
102 HA CYS 12 HA CYS 12 0.643 5.017 1.588
103 1HB CYS 12 2HB CYS 12 2.762 5.253 -0.500
104 2HB CYS 12 1HB CYS 12 1.928 3.713 -0.320
105 H TYR 13 H TYR 13 0.736 3.622 3.201
106 HA TYR 13 HA TYR 13 3.289 2.452 3.981
107 1HB TYR 13 2HB TYR 13 0.574 2.608 5.251
108 2HB TYR 13 1HB TYR 13 1.749 1.425 5.815
109 HD1 TYR 13 1HD TYR 13 0.599 4.763 6.119
110 HD2 TYR 13 2HD TYR 13 4.084 2.349 6.480
111 HE1 TYR 13 1HE TYR 13 1.633 6.480 7.542
112 HE2 TYR 13 2HE TYR 13 5.130 4.059 7.904
113 HH TYR 13 HH TYR 13 3.793 7.204 8.282
114 H ARG 14 H ARG 14 3.354 0.120 4.495
115 HA ARG 14 HA ARG 14 1.548 -1.543 2.914
116 1HB ARG 14 2HB ARG 14 3.419 -1.031 1.415
117 2HB ARG 14 1HB ARG 14 4.559 -1.593 2.629
118 1HG ARG 14 2HG ARG 14 4.262 -3.275 0.930
119 2HG ARG 14 1HG ARG 14 3.601 -3.850 2.461
120 1HD ARG 14 2HD ARG 14 1.453 -2.598 1.268
121 2HD ARG 14 1HD ARG 14 2.278 -3.368 -0.086
122 HE ARG 14 HE ARG 14 1.861 -5.070 2.211
123 1HH1 ARG 14 1HH1 ARG 14 0.575 -3.948 -0.835
124 2HH1 ARG 14 2HH1 ARG 14 -0.454 -5.325 -1.049
125 1HH2 ARG 14 1HH2 ARG 14 0.512 -6.878 1.930
126 2HH2 ARG 14 2HH2 ARG 14 -0.489 -6.988 0.521
127 H ARG 15 H ARG 15 0.970 -1.846 5.267
128 HA ARG 15 HA ARG 15 1.772 -4.361 6.160
129 1HB ARG 15 2HB ARG 15 2.976 -3.649 8.268
130 2HB ARG 15 1HB ARG 15 3.893 -3.494 6.775
131 1HG ARG 15 2HG ARG 15 4.343 -1.417 7.414
132 2HG ARG 15 1HG ARG 15 2.660 -1.037 7.040
133 1HD ARG 15 2HD ARG 15 3.102 -0.264 9.253
134 2HD ARG 15 1HD ARG 15 2.079 -1.694 9.381
135 HE ARG 15 HE ARG 15 3.791 -2.788 10.443
136 1HH1 ARG 15 1HH1 ARG 15 5.037 0.120 8.971
137 2HH1 ARG 15 2HH1 ARG 15 6.582 -0.003 9.742
138 1HH2 ARG 15 1HH2 ARG 15 5.823 -2.952 11.457
139 2HH2 ARG 15 2HH2 ARG 15 7.029 -1.746 11.153
140 H CYS 16 H CYS 16 0.196 -5.108 7.440
141 HA CYS 16 HA CYS 16 -1.924 -3.382 8.258
142 1HB CYS 16 2HB CYS 16 -1.571 -6.190 7.931
143 2HB CYS 16 1HB CYS 16 -2.139 -5.912 9.566
144 H ARG 17 H ARG 17 -2.648 -4.503 10.756
145 HA ARG 17 HA ARG 17 -0.607 -4.506 12.662
146 1HB ARG 17 2HB ARG 17 -1.535 -1.852 11.829
147 2HB ARG 17 1HB ARG 17 -1.636 -2.111 13.566
148 1HG ARG 17 2HG ARG 17 0.575 -1.994 13.826
149 2HG ARG 17 1HG ARG 17 0.888 -3.006 12.415
150 1HD ARG 17 2HD ARG 17 1.824 -0.901 11.914
151 2HD ARG 17 1HD ARG 17 0.315 -0.984 11.005
152 HE ARG 17 HE ARG 17 -0.053 0.250 13.544
153 1HH1 ARG 17 1HH1 ARG 17 1.119 0.829 10.308
154 2HH1 ARG 17 2HH1 ARG 17 0.815 2.532 10.369
155 1HH2 ARG 17 1HH2 ARG 17 -0.453 2.490 13.626
156 2HH2 ARG 17 2HH2 ARG 17 -0.076 3.476 12.253
Start of MODEL 6
1 1H LYS 1 1HT LYS 1 -7.154 -8.535 -5.808
2 2H LYS 1 2HT LYS 1 -8.723 -8.254 -5.171
3 3H LYS 1 3HT LYS 1 -7.385 -8.440 -4.112
4 HA LYS 1 HA LYS 1 -7.894 -6.245 -5.992
5 1HB LYS 1 2HB LYS 1 -8.414 -6.756 -3.179
6 2HB LYS 1 1HB LYS 1 -7.453 -5.304 -3.411
7 1HG LYS 1 2HG LYS 1 -9.485 -5.151 -5.318
8 2HG LYS 1 1HG LYS 1 -10.262 -5.732 -3.844
9 1HD LYS 1 2HD LYS 1 -10.295 -3.296 -3.940
10 2HD LYS 1 1HD LYS 1 -9.293 -3.858 -2.599
11 1HE LYS 1 2HE LYS 1 -8.345 -1.960 -3.972
12 2HE LYS 1 1HE LYS 1 -7.295 -3.358 -3.753
13 1HZ LYS 1 1HZ LYS 1 -7.492 -3.965 -5.930
14 2HZ LYS 1 2HZ LYS 1 -7.627 -2.286 -6.095
15 3HZ LYS 1 3HZ LYS 1 -9.014 -3.254 -6.126
16 H TRP 2 H TRP 2 -5.912 -6.529 -3.118
17 HA TRP 2 HA TRP 2 -3.405 -6.800 -4.298
18 1HB TRP 2 2HB TRP 2 -4.530 -4.193 -4.667
19 2HB TRP 2 1HB TRP 2 -3.162 -4.056 -3.571
20 HD1 TRP 2 HD TRP 2 -3.219 -6.603 -6.442
21 HE1 TRP 2 1HE TRP 2 -1.371 -5.981 -8.123
22 HE3 TRP 2 3HE TRP 2 -1.751 -2.139 -4.425
23 HZ2 TRP 2 2HZ TRP 2 0.463 -3.879 -8.540
24 HZ3 TRP 2 3HZ TRP 2 0.058 -0.885 -5.528
25 HH2 TRP 2 HH TRP 2 1.141 -1.740 -7.542
26 H CYS 3 H CYS 3 -1.864 -5.106 -2.639
27 HA CYS 3 HA CYS 3 -1.777 -6.574 -0.274
28 1HB CYS 3 2HB CYS 3 -0.174 -4.692 -1.462
29 2HB CYS 3 1HB CYS 3 -0.744 -3.837 -0.035
30 H PHE 4 H PHE 4 -1.554 -4.745 1.810
31 HA PHE 4 HA PHE 4 -4.227 -3.562 2.056
32 1HB PHE 4 2HB PHE 4 -3.776 -5.960 3.158
33 2HB PHE 4 1HB PHE 4 -3.136 -4.948 4.449
34 HD1 PHE 4 1HD PHE 4 -4.584 -3.514 5.739
35 HD2 PHE 4 2HD PHE 4 -6.128 -5.932 2.597
36 HE1 PHE 4 1HE PHE 4 -6.867 -3.135 6.574
37 HE2 PHE 4 2HE PHE 4 -8.412 -5.559 3.426
38 HZ PHE 4 HZ PHE 4 -8.785 -4.159 5.418
39 H ARG 5 H ARG 5 -1.644 -2.346 1.600
40 HA ARG 5 HA ARG 5 -0.665 -1.255 4.045
41 1HB ARG 5 2HB ARG 5 -0.223 -0.617 1.156
42 2HB ARG 5 1HB ARG 5 0.434 0.414 2.417
43 1HG ARG 5 2HG ARG 5 1.040 -2.498 1.971
44 2HG ARG 5 1HG ARG 5 2.116 -1.127 1.691
45 1HD ARG 5 2HD ARG 5 1.238 -0.904 4.351
46 2HD ARG 5 1HD ARG 5 1.633 -2.604 4.110
47 HE ARG 5 HE ARG 5 3.687 -0.959 3.073
48 1HH1 ARG 5 1HH1 ARG 5 2.350 -2.086 6.093
49 2HH1 ARG 5 2HH1 ARG 5 3.850 -1.953 6.949
50 1HH2 ARG 5 1HH2 ARG 5 5.660 -0.781 4.197
51 2HH2 ARG 5 2HH2 ARG 5 5.729 -1.211 5.874
52 H VAL 6 H VAL 6 -1.956 0.502 1.299
53 HA VAL 6 HA VAL 6 -3.793 1.959 1.218
54 HB VAL 6 HB VAL 6 -3.472 2.378 4.195
55 1HG1 VAL 6 1HG1 VAL 6 -5.763 3.352 3.964
56 2HG1 VAL 6 2HG1 VAL 6 -5.561 3.259 2.214
57 3HG1 VAL 6 3HG1 VAL 6 -4.488 4.278 3.174
58 1HG2 VAL 6 1HG2 VAL 6 -4.786 0.619 4.615
59 2HG2 VAL 6 2HG2 VAL 6 -4.435 0.100 2.966
60 3HG2 VAL 6 3HG2 VAL 6 -5.894 1.032 3.305
61 H CYS 7 H CYS 7 -3.508 3.964 0.477
62 HA CYS 7 HA CYS 7 -1.153 5.440 1.446
63 1HB CYS 7 2HB CYS 7 -2.306 5.160 -1.315
64 2HB CYS 7 1HB CYS 7 -1.265 6.516 -0.896
65 H TYR 8 H TYR 8 -1.878 6.940 2.795
66 HA TYR 8 HA TYR 8 -3.511 9.068 1.794
67 1HB TYR 8 2HB TYR 8 -4.607 7.143 3.830
68 2HB TYR 8 1HB TYR 8 -5.137 8.822 3.798
69 HD1 TYR 8 1HD TYR 8 -6.184 5.741 2.914
70 HD2 TYR 8 2HD TYR 8 -5.519 9.531 1.096
71 HE1 TYR 8 1HE TYR 8 -7.818 5.183 1.162
72 HE2 TYR 8 2HE TYR 8 -7.151 8.982 -0.659
73 HH TYR 8 HH TYR 8 -8.058 6.258 -1.541
74 H ARG 9 H ARG 9 -3.772 10.807 3.473
75 HA ARG 9 HA ARG 9 -2.869 12.222 5.007
76 1HB ARG 9 2HB ARG 9 -1.753 9.719 6.286
77 2HB ARG 9 1HB ARG 9 -1.947 11.287 7.056
78 1HG ARG 9 2HG ARG 9 -4.067 10.881 7.572
79 2HG ARG 9 1HG ARG 9 -4.437 10.322 5.940
80 1HD ARG 9 2HD ARG 9 -2.803 8.398 7.324
81 2HD ARG 9 1HD ARG 9 -4.237 8.784 8.273
82 HE ARG 9 HE ARG 9 -4.139 7.421 5.723
83 1HH1 ARG 9 1HH1 ARG 9 -6.132 9.106 8.043
84 2HH1 ARG 9 2HH1 ARG 9 -7.605 8.387 7.486
85 1HH2 ARG 9 1HH2 ARG 9 -6.081 6.483 4.984
86 2HH2 ARG 9 2HH2 ARG 9 -7.576 6.900 5.750
87 H GLY 10 H GLY 10 -0.226 11.582 6.403
88 1HA GLY 10 2HA GLY 10 1.443 12.553 4.224
89 2HA GLY 10 1HA GLY 10 1.860 12.539 5.930
90 H ILE 11 H ILE 11 0.601 9.620 4.572
91 HA ILE 11 HA ILE 11 3.242 8.549 4.015
92 HB ILE 11 HB ILE 11 2.776 8.216 6.478
93 1HG1 ILE 11 2HG1 ILE 11 3.618 5.927 6.484
94 2HG1 ILE 11 1HG1 ILE 11 3.091 5.708 4.817
95 1HG2 ILE 11 1HG2 ILE 11 0.288 7.466 5.674
96 2HG2 ILE 11 2HG2 ILE 11 0.995 7.099 7.247
97 3HG2 ILE 11 3HG2 ILE 11 1.059 5.904 5.952
98 1HD1 ILE 11 1HD1 ILE 11 4.972 6.571 4.044
99 2HD1 ILE 11 2HD1 ILE 11 5.581 6.565 5.700
100 3HD1 ILE 11 3HD1 ILE 11 4.797 8.007 5.052
101 H CYS 12 H CYS 12 3.228 6.976 2.480
102 HA CYS 12 HA CYS 12 0.665 5.755 1.764
103 1HB CYS 12 2HB CYS 12 0.649 7.442 0.171
104 2HB CYS 12 1HB CYS 12 2.400 7.464 0.024
105 H TYR 13 H TYR 13 0.802 3.647 1.402
106 HA TYR 13 HA TYR 13 3.274 2.467 0.416
107 1HB TYR 13 2HB TYR 13 2.032 1.735 3.073
108 2HB TYR 13 1HB TYR 13 3.209 0.729 2.236
109 HD1 TYR 13 1HD TYR 13 2.868 3.028 4.773
110 HD2 TYR 13 2HD TYR 13 5.365 2.195 1.433
111 HE1 TYR 13 1HE TYR 13 4.691 4.298 5.829
112 HE2 TYR 13 2HE TYR 13 7.196 3.462 2.477
113 HH TYR 13 HH TYR 13 7.375 5.355 4.203
114 H ARG 14 H ARG 14 3.006 0.304 -0.373
115 HA ARG 14 HA ARG 14 0.558 -1.087 -0.333
116 1HB ARG 14 2HB ARG 14 0.196 1.056 -1.842
117 2HB ARG 14 1HB ARG 14 0.988 0.056 -3.051
118 1HG ARG 14 2HG ARG 14 -1.193 -0.464 -3.454
119 2HG ARG 14 1HG ARG 14 -0.789 -1.718 -2.280
120 1HD ARG 14 2HD ARG 14 -1.571 0.316 -0.652
121 2HD ARG 14 1HD ARG 14 -2.613 0.571 -2.051
122 HE ARG 14 HE ARG 14 -2.584 -2.157 -1.223
123 1HH1 ARG 14 1HH1 ARG 14 -3.959 0.969 -0.506
124 2HH1 ARG 14 2HH1 ARG 14 -5.379 0.313 0.236
125 1HH2 ARG 14 1HH2 ARG 14 -4.450 -3.023 -0.252
126 2HH2 ARG 14 2HH2 ARG 14 -5.658 -1.955 0.381
127 H ARG 15 H ARG 15 2.037 -2.765 0.065
128 HA ARG 15 HA ARG 15 3.971 -3.462 -1.977
129 1HB ARG 15 2HB ARG 15 3.174 -4.822 0.604
130 2HB ARG 15 1HB ARG 15 4.436 -5.413 -0.464
131 1HG ARG 15 2HG ARG 15 5.775 -4.235 0.888
132 2HG ARG 15 1HG ARG 15 5.269 -2.881 -0.121
133 1HD ARG 15 2HD ARG 15 5.142 -2.532 2.384
134 2HD ARG 15 1HD ARG 15 3.687 -2.157 1.464
135 HE ARG 15 HE ARG 15 2.599 -3.864 2.540
136 1HH1 ARG 15 1HH1 ARG 15 6.028 -4.156 3.111
137 2HH1 ARG 15 2HH1 ARG 15 5.852 -5.408 4.295
138 1HH2 ARG 15 1HH2 ARG 15 2.363 -5.511 4.094
139 2HH2 ARG 15 2HH2 ARG 15 3.769 -6.179 4.853
140 H CYS 16 H CYS 16 3.365 -6.438 -1.333
141 HA CYS 16 HA CYS 16 2.434 -8.129 -2.546
142 1HB CYS 16 2HB CYS 16 -0.106 -6.548 -2.163
143 2HB CYS 16 1HB CYS 16 0.053 -8.292 -2.347
144 H ARG 17 H ARG 17 3.487 -6.005 -4.163
145 HA ARG 17 HA ARG 17 1.799 -5.181 -6.224
146 1HB ARG 17 2HB ARG 17 4.310 -4.602 -5.607
147 2HB ARG 17 1HB ARG 17 4.651 -5.835 -6.813
148 1HG ARG 17 2HG ARG 17 2.791 -3.574 -7.421
149 2HG ARG 17 1HG ARG 17 4.541 -3.376 -7.548
150 1HD ARG 17 2HD ARG 17 3.322 -5.751 -8.837
151 2HD ARG 17 1HD ARG 17 3.048 -4.183 -9.594
152 HE ARG 17 HE ARG 17 5.472 -5.682 -9.584
153 1HH1 ARG 17 1HH1 ARG 17 4.193 -2.436 -9.625
154 2HH1 ARG 17 2HH1 ARG 17 5.585 -1.764 -10.405
155 1HH2 ARG 17 1HH2 ARG 17 7.303 -4.801 -10.610
156 2HH2 ARG 17 2HH2 ARG 17 7.351 -3.106 -10.966
Start of MODEL 7
1 1H LYS 1 1HT LYS 1 -7.004 -8.701 10.988
2 2H LYS 1 2HT LYS 1 -8.188 -9.678 10.218
3 3H LYS 1 3HT LYS 1 -7.241 -8.583 9.295
4 HA LYS 1 HA LYS 1 -6.266 -10.946 10.739
5 1HB LYS 1 2HB LYS 1 -7.638 -11.345 8.685
6 2HB LYS 1 1HB LYS 1 -6.472 -10.389 7.781
7 1HG LYS 1 2HG LYS 1 -4.843 -12.193 8.981
8 2HG LYS 1 1HG LYS 1 -6.306 -13.151 8.746
9 1HD LYS 1 2HD LYS 1 -5.247 -11.493 6.497
10 2HD LYS 1 1HD LYS 1 -4.487 -13.040 6.872
11 1HE LYS 1 2HE LYS 1 -6.051 -13.919 5.532
12 2HE LYS 1 1HE LYS 1 -7.141 -13.688 6.898
13 1HZ LYS 1 1HZ LYS 1 -8.200 -12.715 5.068
14 2HZ LYS 1 2HZ LYS 1 -6.792 -11.951 4.528
15 3HZ LYS 1 3HZ LYS 1 -7.563 -11.407 5.932
16 H TRP 2 H TRP 2 -5.381 -8.776 8.110
17 HA TRP 2 HA TRP 2 -3.135 -7.638 9.320
18 1HB TRP 2 2HB TRP 2 -2.593 -10.251 8.815
19 2HB TRP 2 1HB TRP 2 -2.061 -9.516 7.305
20 HD1 TRP 2 HD TRP 2 -1.032 -6.769 8.866
21 HE1 TRP 2 1HE TRP 2 1.246 -6.899 10.056
22 HE3 TRP 2 3HE TRP 2 -0.639 -11.847 9.314
23 HZ2 TRP 2 2HZ TRP 2 2.979 -8.891 11.055
24 HZ3 TRP 2 3HZ TRP 2 1.361 -12.784 10.399
25 HH2 TRP 2 HH TRP 2 3.131 -11.335 11.250
26 H CYS 3 H CYS 3 -1.467 -7.661 6.874
27 HA CYS 3 HA CYS 3 -1.263 -6.603 4.869
28 1HB CYS 3 2HB CYS 3 -3.959 -7.604 4.811
29 2HB CYS 3 1HB CYS 3 -3.912 -6.014 4.060
30 H PHE 4 H PHE 4 -0.763 -4.529 4.541
31 HA PHE 4 HA PHE 4 -2.520 -2.414 5.491
32 1HB PHE 4 2HB PHE 4 -0.624 -1.284 6.679
33 2HB PHE 4 1HB PHE 4 -1.172 -2.767 7.452
34 HD1 PHE 4 1HD PHE 4 0.131 -4.939 6.632
35 HD2 PHE 4 2HD PHE 4 1.634 -0.960 6.465
36 HE1 PHE 4 1HE PHE 4 2.429 -5.813 6.582
37 HE2 PHE 4 2HE PHE 4 3.934 -1.827 6.413
38 HZ PHE 4 HZ PHE 4 4.336 -4.257 6.473
39 H ARG 5 H ARG 5 -2.698 -2.114 3.183
40 HA ARG 5 HA ARG 5 -0.431 -0.580 2.107
41 1HB ARG 5 2HB ARG 5 -0.434 -2.778 1.035
42 2HB ARG 5 1HB ARG 5 -2.120 -2.569 0.581
43 1HG ARG 5 2HG ARG 5 -0.924 -0.336 -0.479
44 2HG ARG 5 1HG ARG 5 0.300 -1.586 -0.702
45 1HD ARG 5 2HD ARG 5 -0.841 -2.446 -2.402
46 2HD ARG 5 1HD ARG 5 -2.265 -2.652 -1.381
47 HE ARG 5 HE ARG 5 -2.344 -0.028 -2.024
48 1HH1 ARG 5 1HH1 ARG 5 -2.044 -2.937 -3.927
49 2HH1 ARG 5 2HH1 ARG 5 -2.842 -2.265 -5.308
50 1HH2 ARG 5 1HH2 ARG 5 -3.394 0.858 -3.842
51 2HH2 ARG 5 2HH2 ARG 5 -3.608 -0.110 -5.260
52 H VAL 6 H VAL 6 -1.080 1.447 1.903
53 HA VAL 6 HA VAL 6 -3.152 2.261 0.219
54 HB VAL 6 HB VAL 6 -4.630 1.411 2.001
55 1HG1 VAL 6 1HG1 VAL 6 -4.497 3.295 4.012
56 2HG1 VAL 6 2HG1 VAL 6 -2.806 2.918 3.685
57 3HG1 VAL 6 3HG1 VAL 6 -3.930 1.627 4.106
58 1HG2 VAL 6 1HG2 VAL 6 -5.935 3.532 2.326
59 2HG2 VAL 6 2HG2 VAL 6 -5.502 3.166 0.655
60 3HG2 VAL 6 3HG2 VAL 6 -4.600 4.388 1.554
61 H CYS 7 H CYS 7 -3.165 4.500 -0.099
62 HA CYS 7 HA CYS 7 -0.949 5.892 1.219
63 1HB CYS 7 2HB CYS 7 -2.388 6.415 -1.383
64 2HB CYS 7 1HB CYS 7 -1.194 7.514 -0.701
65 H TYR 8 H TYR 8 -1.576 6.980 2.954
66 HA TYR 8 HA TYR 8 -3.471 9.119 2.695
67 1HB TYR 8 2HB TYR 8 -4.115 6.719 4.407
68 2HB TYR 8 1HB TYR 8 -4.827 8.302 4.699
69 HD1 TYR 8 1HD TYR 8 -5.597 5.278 3.406
70 HD2 TYR 8 2HD TYR 8 -5.608 9.362 2.216
71 HE1 TYR 8 1HE TYR 8 -7.348 4.784 1.753
72 HE2 TYR 8 2HE TYR 8 -7.361 8.881 0.559
73 HH TYR 8 HH TYR 8 -9.304 6.624 0.539
74 H ARG 9 H ARG 9 -3.679 10.322 4.819
75 HA ARG 9 HA ARG 9 -2.733 11.414 6.568
76 1HB ARG 9 2HB ARG 9 -1.698 8.648 6.899
77 2HB ARG 9 1HB ARG 9 -0.915 9.919 7.829
78 1HG ARG 9 2HG ARG 9 -2.568 9.088 9.245
79 2HG ARG 9 1HG ARG 9 -3.262 10.571 8.586
80 1HD ARG 9 2HD ARG 9 -4.843 8.650 8.636
81 2HD ARG 9 1HD ARG 9 -4.593 9.330 7.029
82 HE ARG 9 HE ARG 9 -3.652 7.347 6.369
83 1HH1 ARG 9 1HH1 ARG 9 -3.872 7.398 9.851
84 2HH1 ARG 9 2HH1 ARG 9 -3.423 5.735 10.028
85 1HH2 ARG 9 1HH2 ARG 9 -3.060 5.160 6.601
86 2HH2 ARG 9 2HH2 ARG 9 -2.962 4.465 8.184
87 H GLY 10 H GLY 10 -1.254 10.970 3.797
88 1HA GLY 10 2HA GLY 10 0.384 12.557 3.060
89 2HA GLY 10 1HA GLY 10 1.107 12.494 4.657
90 H ILE 11 H ILE 11 0.827 9.451 4.537
91 HA ILE 11 HA ILE 11 3.265 9.042 2.945
92 HB ILE 11 HB ILE 11 4.071 7.579 4.470
93 1HG1 ILE 11 2HG1 ILE 11 2.399 5.849 4.138
94 2HG1 ILE 11 1HG1 ILE 11 2.719 6.048 5.855
95 1HG2 ILE 11 1HG2 ILE 11 3.897 9.322 5.954
96 2HG2 ILE 11 2HG2 ILE 11 3.066 8.025 6.818
97 3HG2 ILE 11 3HG2 ILE 11 2.134 9.264 5.982
98 1HD1 ILE 11 1HD1 ILE 11 0.276 6.661 4.300
99 2HD1 ILE 11 2HD1 ILE 11 0.654 7.674 5.694
100 3HD1 ILE 11 3HD1 ILE 11 0.458 5.933 5.895
101 H CYS 12 H CYS 12 3.459 6.564 2.335
102 HA CYS 12 HA CYS 12 0.910 5.711 1.152
103 1HB CYS 12 2HB CYS 12 3.490 6.273 -0.175
104 2HB CYS 12 1HB CYS 12 2.690 4.785 -0.672
105 H TYR 13 H TYR 13 0.846 4.369 3.076
106 HA TYR 13 HA TYR 13 2.678 2.472 3.855
107 1HB TYR 13 2HB TYR 13 -0.232 2.825 4.120
108 2HB TYR 13 1HB TYR 13 0.316 1.160 4.282
109 HD1 TYR 13 1HD TYR 13 1.751 4.434 5.401
110 HD2 TYR 13 2HD TYR 13 0.364 0.567 6.507
111 HE1 TYR 13 1HE TYR 13 2.392 4.877 7.731
112 HE2 TYR 13 2HE TYR 13 1.001 1.000 8.841
113 HH TYR 13 HH TYR 13 1.321 3.486 10.231
114 H ARG 14 H ARG 14 3.413 0.587 3.079
115 HA ARG 14 HA ARG 14 1.952 -0.696 0.875
116 1HB ARG 14 2HB ARG 14 4.938 -0.234 0.964
117 2HB ARG 14 1HB ARG 14 4.082 -1.142 -0.273
118 1HG ARG 14 2HG ARG 14 3.462 0.703 -1.367
119 2HG ARG 14 1HG ARG 14 3.051 1.560 0.119
120 1HD ARG 14 2HD ARG 14 5.847 1.147 -0.933
121 2HD ARG 14 1HD ARG 14 4.901 2.619 -1.125
122 HE ARG 14 HE ARG 14 5.130 3.048 1.177
123 1HH1 ARG 14 1HH1 ARG 14 6.843 0.157 0.204
124 2HH1 ARG 14 2HH1 ARG 14 7.828 0.120 1.624
125 1HH2 ARG 14 1HH2 ARG 14 6.428 2.989 3.039
126 2HH2 ARG 14 2HH2 ARG 14 7.593 1.723 3.233
127 H ARG 15 H ARG 15 3.412 -2.869 0.398
128 HA ARG 15 HA ARG 15 3.942 -4.957 1.126
129 1HB ARG 15 2HB ARG 15 5.057 -3.185 3.146
130 2HB ARG 15 1HB ARG 15 4.602 -4.742 3.822
131 1HG ARG 15 2HG ARG 15 6.651 -5.355 3.160
132 2HG ARG 15 1HG ARG 15 5.887 -5.529 1.579
133 1HD ARG 15 2HD ARG 15 6.791 -2.810 2.208
134 2HD ARG 15 1HD ARG 15 8.085 -4.004 2.095
135 HE ARG 15 HE ARG 15 6.598 -2.907 -0.057
136 1HH1 ARG 15 1HH1 ARG 15 8.103 -5.861 1.031
137 2HH1 ARG 15 2HH1 ARG 15 8.367 -6.465 -0.571
138 1HH2 ARG 15 1HH2 ARG 15 6.944 -3.698 -2.165
139 2HH2 ARG 15 2HH2 ARG 15 7.709 -5.236 -2.386
140 H CYS 16 H CYS 16 3.153 -6.713 2.471
141 HA CYS 16 HA CYS 16 0.783 -6.085 4.072
142 1HB CYS 16 2HB CYS 16 0.805 -7.421 1.470
143 2HB CYS 16 1HB CYS 16 0.007 -8.368 2.721
144 H ARG 17 H ARG 17 -0.074 -8.220 5.083
145 HA ARG 17 HA ARG 17 0.287 -9.902 6.571
146 1HB ARG 17 2HB ARG 17 2.674 -10.590 4.852
147 2HB ARG 17 1HB ARG 17 1.798 -11.668 5.930
148 1HG ARG 17 2HG ARG 17 0.030 -10.482 3.982
149 2HG ARG 17 1HG ARG 17 1.381 -11.312 3.207
150 1HD ARG 17 2HD ARG 17 -0.611 -12.755 3.604
151 2HD ARG 17 1HD ARG 17 0.872 -13.351 4.349
152 HE ARG 17 HE ARG 17 -0.115 -13.115 6.393
153 1HH1 ARG 17 1HH1 ARG 17 -1.902 -11.213 4.076
154 2HH1 ARG 17 2HH1 ARG 17 -3.164 -10.812 5.192
155 1HH2 ARG 17 1HH2 ARG 17 -1.775 -12.588 7.861
156 2HH2 ARG 17 2HH2 ARG 17 -3.092 -11.591 7.341
Start of MODEL 8
1 1H LYS 1 1HT LYS 1 -12.889 -5.168 0.941
2 2H LYS 1 2HT LYS 1 -13.163 -6.855 0.785
3 3H LYS 1 3HT LYS 1 -12.314 -6.005 -0.441
4 HA LYS 1 HA LYS 1 -11.379 -6.188 2.336
5 1HB LYS 1 2HB LYS 1 -10.978 -8.025 -0.017
6 2HB LYS 1 1HB LYS 1 -9.807 -7.936 1.290
7 1HG LYS 1 2HG LYS 1 -11.084 -9.133 2.679
8 2HG LYS 1 1HG LYS 1 -12.562 -8.297 2.195
9 1HD LYS 1 2HD LYS 1 -11.251 -10.269 0.359
10 2HD LYS 1 1HD LYS 1 -12.306 -10.820 1.662
11 1HE LYS 1 2HE LYS 1 -13.076 -8.835 -0.474
12 2HE LYS 1 1HE LYS 1 -13.490 -10.547 -0.489
13 1HZ LYS 1 1HZ LYS 1 -14.433 -9.906 1.879
14 2HZ LYS 1 2HZ LYS 1 -15.354 -9.728 0.471
15 3HZ LYS 1 3HZ LYS 1 -14.574 -8.388 1.146
16 H TRP 2 H TRP 2 -11.372 -3.850 0.855
17 HA TRP 2 HA TRP 2 -8.671 -3.670 -0.276
18 1HB TRP 2 2HB TRP 2 -9.506 -1.350 -0.991
19 2HB TRP 2 1HB TRP 2 -10.216 -2.745 -1.793
20 HD1 TRP 2 HD TRP 2 -12.773 -3.346 -1.178
21 HE1 TRP 2 1HE TRP 2 -14.672 -1.894 -0.226
22 HE3 TRP 2 3HE TRP 2 -9.996 0.570 0.587
23 HZ2 TRP 2 2HZ TRP 2 -14.957 0.582 1.097
24 HZ3 TRP 2 3HZ TRP 2 -11.162 2.440 1.682
25 HH2 TRP 2 HH TRP 2 -13.590 2.446 1.929
26 H CYS 3 H CYS 3 -9.123 -3.894 2.572
27 HA CYS 3 HA CYS 3 -8.454 -1.216 3.554
28 1HB CYS 3 2HB CYS 3 -10.156 -3.037 4.597
29 2HB CYS 3 1HB CYS 3 -8.684 -3.477 5.456
30 H PHE 4 H PHE 4 -6.508 -2.453 1.991
31 HA PHE 4 HA PHE 4 -4.303 -2.454 3.837
32 1HB PHE 4 2HB PHE 4 -5.326 -4.883 3.627
33 2HB PHE 4 1HB PHE 4 -4.413 -4.899 2.121
34 HD1 PHE 4 1HD PHE 4 -3.598 -3.427 5.441
35 HD2 PHE 4 2HD PHE 4 -2.605 -6.290 2.454
36 HE1 PHE 4 1HE PHE 4 -1.561 -4.014 6.689
37 HE2 PHE 4 2HE PHE 4 -0.565 -6.884 3.696
38 HZ PHE 4 HZ PHE 4 -0.042 -5.746 5.817
39 H ARG 5 H ARG 5 -2.316 -2.082 2.839
40 HA ARG 5 HA ARG 5 -0.901 -1.269 1.257
41 1HB ARG 5 2HB ARG 5 -2.636 -2.731 -0.736
42 2HB ARG 5 1HB ARG 5 -0.960 -2.241 -0.946
43 1HG ARG 5 2HG ARG 5 -1.087 -3.818 1.389
44 2HG ARG 5 1HG ARG 5 -1.997 -4.659 0.134
45 1HD ARG 5 2HD ARG 5 -0.149 -4.845 -1.258
46 2HD ARG 5 1HD ARG 5 0.698 -3.513 -0.474
47 HE ARG 5 HE ARG 5 0.267 -5.794 1.228
48 1HH1 ARG 5 1HH1 ARG 5 2.392 -4.329 -1.120
49 2HH1 ARG 5 2HH1 ARG 5 3.788 -5.203 -0.586
50 1HH2 ARG 5 1HH2 ARG 5 2.101 -6.942 1.932
51 2HH2 ARG 5 2HH2 ARG 5 3.623 -6.687 1.146
52 H VAL 6 H VAL 6 -1.771 0.817 1.769
53 HA VAL 6 HA VAL 6 -2.751 2.163 -0.591
54 HB VAL 6 HB VAL 6 -4.747 1.299 0.902
55 1HG1 VAL 6 1HG1 VAL 6 -4.575 3.965 2.185
56 2HG1 VAL 6 2HG1 VAL 6 -3.590 2.667 2.862
57 3HG1 VAL 6 3HG1 VAL 6 -5.340 2.477 2.748
58 1HG2 VAL 6 1HG2 VAL 6 -4.447 3.222 -1.039
59 2HG2 VAL 6 2HG2 VAL 6 -5.292 4.080 0.250
60 3HG2 VAL 6 3HG2 VAL 6 -5.978 2.601 -0.422
61 H CYS 7 H CYS 7 -3.394 4.631 0.540
62 HA CYS 7 HA CYS 7 -0.806 5.370 1.705
63 1HB CYS 7 2HB CYS 7 -1.786 6.334 -0.563
64 2HB CYS 7 1HB CYS 7 -2.617 7.428 0.539
65 H TYR 8 H TYR 8 -0.737 7.051 3.312
66 HA TYR 8 HA TYR 8 -3.243 7.404 4.809
67 1HB TYR 8 2HB TYR 8 -1.004 5.845 5.620
68 2HB TYR 8 1HB TYR 8 -1.066 7.268 6.651
69 HD1 TYR 8 1HD TYR 8 -1.847 6.484 8.699
70 HD2 TYR 8 2HD TYR 8 -3.866 5.333 5.135
71 HE1 TYR 8 1HE TYR 8 -3.614 5.430 10.046
72 HE2 TYR 8 2HE TYR 8 -5.638 4.278 6.473
73 HH TYR 8 HH TYR 8 -5.909 4.744 9.861
74 H ARG 9 H ARG 9 -3.653 9.460 5.232
75 HA ARG 9 HA ARG 9 -3.435 11.714 5.395
76 1HB ARG 9 2HB ARG 9 -0.775 11.059 6.672
77 2HB ARG 9 1HB ARG 9 -1.721 12.523 6.898
78 1HG ARG 9 2HG ARG 9 -3.043 11.575 8.431
79 2HG ARG 9 1HG ARG 9 -3.163 10.059 7.536
80 1HD ARG 9 2HD ARG 9 -0.866 10.941 9.280
81 2HD ARG 9 1HD ARG 9 -2.052 9.694 9.661
82 HE ARG 9 HE ARG 9 -0.653 9.164 7.226
83 1HH1 ARG 9 1HH1 ARG 9 -0.450 8.919 10.700
84 2HH1 ARG 9 2HH1 ARG 9 0.667 7.597 10.667
85 1HH2 ARG 9 1HH2 ARG 9 0.819 7.425 7.180
86 2HH2 ARG 9 2HH2 ARG 9 1.387 6.747 8.670
87 H GLY 10 H GLY 10 0.065 11.266 5.122
88 1HA GLY 10 2HA GLY 10 -0.063 12.629 2.504
89 2HA GLY 10 1HA GLY 10 1.171 12.978 3.706
90 H ILE 11 H ILE 11 1.676 10.306 4.509
91 HA ILE 11 HA ILE 11 3.267 9.437 2.222
92 HB ILE 11 HB ILE 11 4.357 9.695 4.435
93 1HG1 ILE 11 2HG1 ILE 11 5.561 7.561 4.413
94 2HG1 ILE 11 1HG1 ILE 11 4.286 6.836 3.441
95 1HG2 ILE 11 1HG2 ILE 11 3.911 7.939 6.156
96 2HG2 ILE 11 2HG2 ILE 11 2.485 7.473 5.226
97 3HG2 ILE 11 3HG2 ILE 11 2.594 9.089 5.921
98 1HD1 ILE 11 1HD1 ILE 11 5.300 7.506 1.597
99 2HD1 ILE 11 2HD1 ILE 11 6.595 8.196 2.575
100 3HD1 ILE 11 3HD1 ILE 11 5.205 9.186 2.128
101 H CYS 12 H CYS 12 3.375 7.103 1.705
102 HA CYS 12 HA CYS 12 0.735 5.866 2.046
103 1HB CYS 12 2HB CYS 12 2.759 5.398 -0.151
104 2HB CYS 12 1HB CYS 12 1.165 4.660 -0.042
105 H TYR 13 H TYR 13 0.620 4.133 3.284
106 HA TYR 13 HA TYR 13 2.978 2.399 3.498
107 1HB TYR 13 2HB TYR 13 1.540 3.823 5.654
108 2HB TYR 13 1HB TYR 13 1.921 2.137 5.981
109 HD1 TYR 13 1HD TYR 13 3.856 1.807 7.173
110 HD2 TYR 13 2HD TYR 13 3.672 5.077 4.457
111 HE1 TYR 13 1HE TYR 13 6.151 2.440 7.789
112 HE2 TYR 13 2HE TYR 13 5.967 5.719 5.065
113 HH TYR 13 HH TYR 13 7.457 5.228 7.402
114 H ARG 14 H ARG 14 2.493 0.199 4.180
115 HA ARG 14 HA ARG 14 0.176 -0.828 2.884
116 1HB ARG 14 2HB ARG 14 2.393 -2.035 4.506
117 2HB ARG 14 1HB ARG 14 0.994 -3.003 4.062
118 1HG ARG 14 2HG ARG 14 1.899 -3.401 2.087
119 2HG ARG 14 1HG ARG 14 1.878 -1.674 1.727
120 1HD ARG 14 2HD ARG 14 4.079 -3.226 3.082
121 2HD ARG 14 1HD ARG 14 4.121 -2.503 1.477
122 HE ARG 14 HE ARG 14 4.275 -0.367 2.464
123 1HH1 ARG 14 1HH1 ARG 14 4.286 -2.935 4.840
124 2HH1 ARG 14 2HH1 ARG 14 4.950 -1.939 6.087
125 1HH2 ARG 14 1HH2 ARG 14 5.146 0.934 4.112
126 2HH2 ARG 14 2HH2 ARG 14 5.437 0.253 5.677
127 H ARG 15 H ARG 15 -1.544 0.227 3.999
128 HA ARG 15 HA ARG 15 -2.462 -1.281 6.291
129 1HB ARG 15 2HB ARG 15 -1.108 1.077 6.787
130 2HB ARG 15 1HB ARG 15 -2.794 1.574 6.816
131 1HG ARG 15 2HG ARG 15 -1.938 0.958 9.036
132 2HG ARG 15 1HG ARG 15 -3.293 -0.049 8.524
133 1HD ARG 15 2HD ARG 15 -1.912 -1.890 8.098
134 2HD ARG 15 1HD ARG 15 -0.454 -0.901 8.062
135 HE ARG 15 HE ARG 15 -1.328 -0.596 10.597
136 1HH1 ARG 15 1HH1 ARG 15 -0.728 -3.407 8.617
137 2HH1 ARG 15 2HH1 ARG 15 -0.304 -4.416 9.959
138 1HH2 ARG 15 1HH2 ARG 15 -0.773 -1.922 12.363
139 2HH2 ARG 15 2HH2 ARG 15 -0.331 -3.574 12.085
140 H CYS 16 H CYS 16 -4.599 0.256 7.055
141 HA CYS 16 HA CYS 16 -6.423 -0.204 4.913
142 1HB CYS 16 2HB CYS 16 -6.636 0.812 7.714
143 2HB CYS 16 1HB CYS 16 -7.985 1.084 6.614
144 H ARG 17 H ARG 17 -8.156 1.616 4.533
145 HA ARG 17 HA ARG 17 -6.900 3.640 3.041
146 1HB ARG 17 2HB ARG 17 -9.403 2.598 3.104
147 2HB ARG 17 1HB ARG 17 -9.681 4.139 3.903
148 1HG ARG 17 2HG ARG 17 -8.370 5.111 1.872
149 2HG ARG 17 1HG ARG 17 -8.814 3.585 1.106
150 1HD ARG 17 2HD ARG 17 -10.801 4.454 0.631
151 2HD ARG 17 1HD ARG 17 -11.141 4.536 2.359
152 HE ARG 17 HE ARG 17 -9.598 6.761 1.452
153 1HH1 ARG 17 1HH1 ARG 17 -12.839 5.477 1.636
154 2HH1 ARG 17 2HH1 ARG 17 -13.593 7.036 1.587
155 1HH2 ARG 17 1HH2 ARG 17 -10.589 8.812 1.387
156 2HH2 ARG 17 2HH2 ARG 17 -12.316 8.928 1.445
Start of MODEL 9
1 1H LYS 1 1HT LYS 1 7.697 -8.477 -0.565
2 2H LYS 1 2HT LYS 1 8.956 -8.828 0.548
3 3H LYS 1 3HT LYS 1 7.816 -7.596 0.901
4 HA LYS 1 HA LYS 1 7.048 -10.395 0.488
5 1HB LYS 1 2HB LYS 1 8.713 -9.437 2.512
6 2HB LYS 1 1HB LYS 1 7.118 -9.486 3.251
7 1HG LYS 1 2HG LYS 1 7.288 -11.900 1.926
8 2HG LYS 1 1HG LYS 1 8.918 -11.650 2.555
9 1HD LYS 1 2HD LYS 1 6.367 -11.537 4.164
10 2HD LYS 1 1HD LYS 1 7.524 -12.870 4.153
11 1HE LYS 1 2HE LYS 1 7.893 -10.082 5.211
12 2HE LYS 1 1HE LYS 1 8.015 -11.609 6.085
13 1HZ LYS 1 1HZ LYS 1 10.203 -11.223 5.761
14 2HZ LYS 1 2HZ LYS 1 9.966 -10.283 4.375
15 3HZ LYS 1 3HZ LYS 1 9.901 -11.970 4.272
16 H TRP 2 H TRP 2 5.755 -8.038 -0.455
17 HA TRP 2 HA TRP 2 3.691 -7.088 -0.508
18 1HB TRP 2 2HB TRP 2 2.529 -9.074 -0.434
19 2HB TRP 2 1HB TRP 2 3.243 -9.562 1.097
20 HD1 TRP 2 HD TRP 2 0.200 -7.889 -0.362
21 HE1 TRP 2 1HE TRP 2 -1.446 -7.302 1.528
22 HE3 TRP 2 3HE TRP 2 3.222 -8.804 3.657
23 HZ2 TRP 2 2HZ TRP 2 -1.457 -7.233 4.353
24 HZ3 TRP 2 3HZ TRP 2 2.324 -8.450 5.917
25 HH2 TRP 2 HH TRP 2 0.029 -7.681 6.257
26 H CYS 3 H CYS 3 2.981 -5.248 0.379
27 HA CYS 3 HA CYS 3 3.643 -4.746 3.203
28 1HB CYS 3 2HB CYS 3 4.206 -3.241 0.916
29 2HB CYS 3 1HB CYS 3 2.883 -2.385 1.691
30 H PHE 4 H PHE 4 2.017 -2.483 3.552
31 HA PHE 4 HA PHE 4 -0.619 -3.762 3.672
32 1HB PHE 4 2HB PHE 4 -0.547 -1.278 5.112
33 2HB PHE 4 1HB PHE 4 -0.786 -2.905 5.735
34 HD1 PHE 4 1HD PHE 4 0.991 -4.099 6.796
35 HD2 PHE 4 2HD PHE 4 1.689 -0.281 5.053
36 HE1 PHE 4 1HE PHE 4 3.163 -3.976 7.946
37 HE2 PHE 4 2HE PHE 4 3.863 -0.151 6.197
38 HZ PHE 4 HZ PHE 4 4.603 -2.000 7.647
39 H ARG 5 H ARG 5 -1.031 -3.328 1.430
40 HA ARG 5 HA ARG 5 -0.943 -0.950 0.092
41 1HB ARG 5 2HB ARG 5 -2.050 -3.443 -0.375
42 2HB ARG 5 1HB ARG 5 -3.439 -2.367 -0.441
43 1HG ARG 5 2HG ARG 5 -0.923 -2.157 -2.080
44 2HG ARG 5 1HG ARG 5 -2.519 -2.655 -2.645
45 1HD ARG 5 2HD ARG 5 -3.178 -0.542 -2.908
46 2HD ARG 5 1HD ARG 5 -2.602 -0.087 -1.307
47 HE ARG 5 HE ARG 5 -0.510 -0.380 -3.260
48 1HH1 ARG 5 1HH1 ARG 5 -2.851 1.807 -1.875
49 2HH1 ARG 5 2HH1 ARG 5 -1.973 3.230 -2.325
50 1HH2 ARG 5 1HH2 ARG 5 0.643 1.492 -3.857
51 2HH2 ARG 5 2HH2 ARG 5 0.009 3.052 -3.453
52 H VAL 6 H VAL 6 -1.396 0.847 1.306
53 HA VAL 6 HA VAL 6 -3.894 1.970 1.227
54 HB VAL 6 HB VAL 6 -3.638 0.140 3.500
55 1HG1 VAL 6 1HG1 VAL 6 -3.166 2.115 4.790
56 2HG1 VAL 6 2HG1 VAL 6 -4.829 1.619 5.102
57 3HG1 VAL 6 3HG1 VAL 6 -4.502 2.981 4.032
58 1HG2 VAL 6 1HG2 VAL 6 -5.488 0.659 1.598
59 2HG2 VAL 6 2HG2 VAL 6 -6.169 1.536 2.967
60 3HG2 VAL 6 3HG2 VAL 6 -5.827 -0.188 3.108
61 H CYS 7 H CYS 7 -3.962 4.071 2.194
62 HA CYS 7 HA CYS 7 -1.968 5.020 3.935
63 1HB CYS 7 2HB CYS 7 -0.478 6.092 2.534
64 2HB CYS 7 1HB CYS 7 -0.759 4.556 1.732
65 H TYR 8 H TYR 8 -1.726 7.600 3.430
66 HA TYR 8 HA TYR 8 -4.117 8.886 2.563
67 1HB TYR 8 2HB TYR 8 -3.757 8.266 5.456
68 2HB TYR 8 1HB TYR 8 -4.414 9.843 5.032
69 HD1 TYR 8 1HD TYR 8 -5.187 6.452 5.651
70 HD2 TYR 8 2HD TYR 8 -6.429 9.820 3.368
71 HE1 TYR 8 1HE TYR 8 -7.411 5.441 5.380
72 HE2 TYR 8 2HE TYR 8 -8.656 8.819 3.092
73 HH TYR 8 HH TYR 8 -9.498 6.143 3.180
74 H ARG 9 H ARG 9 -4.025 11.267 3.807
75 HA ARG 9 HA ARG 9 -1.795 12.527 2.668
76 1HB ARG 9 2HB ARG 9 -3.832 13.752 2.970
77 2HB ARG 9 1HB ARG 9 -3.807 13.481 4.706
78 1HG ARG 9 2HG ARG 9 -1.388 14.785 3.946
79 2HG ARG 9 1HG ARG 9 -2.755 15.661 3.256
80 1HD ARG 9 2HD ARG 9 -2.390 14.908 6.154
81 2HD ARG 9 1HD ARG 9 -2.213 16.522 5.464
82 HE ARG 9 HE ARG 9 -4.733 15.870 4.785
83 1HH1 ARG 9 1HH1 ARG 9 -3.020 15.758 7.824
84 2HH1 ARG 9 2HH1 ARG 9 -4.438 16.028 8.777
85 1HH2 ARG 9 1HH2 ARG 9 -6.601 16.226 6.039
86 2HH2 ARG 9 2HH2 ARG 9 -6.471 16.293 7.765
87 H GLY 10 H GLY 10 0.035 11.379 3.520
88 1HA GLY 10 2HA GLY 10 1.436 12.696 5.507
89 2HA GLY 10 1HA GLY 10 0.641 11.342 6.300
90 H ILE 11 H ILE 11 0.794 9.654 3.929
91 HA ILE 11 HA ILE 11 3.228 9.224 2.798
92 HB ILE 11 HB ILE 11 4.221 9.141 5.041
93 1HG1 ILE 11 2HG1 ILE 11 5.342 6.968 4.867
94 2HG1 ILE 11 1HG1 ILE 11 4.088 6.400 3.768
95 1HG2 ILE 11 1HG2 ILE 11 3.434 7.912 6.777
96 2HG2 ILE 11 2HG2 ILE 11 2.808 6.634 5.734
97 3HG2 ILE 11 3HG2 ILE 11 1.918 8.151 5.905
98 1HD1 ILE 11 1HD1 ILE 11 4.775 8.374 2.290
99 2HD1 ILE 11 2HD1 ILE 11 5.843 6.973 2.368
100 3HD1 ILE 11 3HD1 ILE 11 6.227 8.429 3.287
101 H CYS 12 H CYS 12 3.366 7.092 1.796
102 HA CYS 12 HA CYS 12 0.940 5.486 2.151
103 1HB CYS 12 2HB CYS 12 2.232 6.242 -0.467
104 2HB CYS 12 1HB CYS 12 0.950 5.047 -0.305
105 H TYR 13 H TYR 13 1.125 3.349 2.243
106 HA TYR 13 HA TYR 13 3.842 2.247 1.965
107 1HB TYR 13 2HB TYR 13 1.581 1.062 3.577
108 2HB TYR 13 1HB TYR 13 3.287 0.632 3.637
109 HD1 TYR 13 1HD TYR 13 4.271 3.574 3.600
110 HD2 TYR 13 2HD TYR 13 1.366 1.510 5.923
111 HE1 TYR 13 1HE TYR 13 4.614 5.168 5.431
112 HE2 TYR 13 2HE TYR 13 1.698 3.104 7.765
113 HH TYR 13 HH TYR 13 2.518 5.331 8.145
114 H ARG 14 H ARG 14 4.204 0.711 0.493
115 HA ARG 14 HA ARG 14 2.216 -1.160 -0.349
116 1HB ARG 14 2HB ARG 14 2.354 -0.433 -2.791
117 2HB ARG 14 1HB ARG 14 1.344 0.537 -1.729
118 1HG ARG 14 2HG ARG 14 2.468 2.348 -2.308
119 2HG ARG 14 1HG ARG 14 3.952 1.638 -1.667
120 1HD ARG 14 2HD ARG 14 2.993 0.806 -4.365
121 2HD ARG 14 1HD ARG 14 3.781 2.374 -4.184
122 HE ARG 14 HE ARG 14 5.350 0.404 -2.941
123 1HH1 ARG 14 1HH1 ARG 14 4.369 1.431 -6.129
124 2HH1 ARG 14 2HH1 ARG 14 5.801 0.836 -6.898
125 1HH2 ARG 14 1HH2 ARG 14 7.236 -0.374 -3.950
126 2HH2 ARG 14 2HH2 ARG 14 7.430 -0.190 -5.661
127 H ARG 15 H ARG 15 3.163 -2.971 -1.107
128 HA ARG 15 HA ARG 15 4.805 -4.456 -1.633
129 1HB ARG 15 2HB ARG 15 6.200 -2.200 -3.062
130 2HB ARG 15 1HB ARG 15 6.229 -3.916 -3.448
131 1HG ARG 15 2HG ARG 15 3.531 -3.088 -3.550
132 2HG ARG 15 1HG ARG 15 4.486 -1.884 -4.419
133 1HD ARG 15 2HD ARG 15 4.915 -3.289 -6.108
134 2HD ARG 15 1HD ARG 15 5.268 -4.631 -5.020
135 HE ARG 15 HE ARG 15 2.582 -4.447 -4.887
136 1HH1 ARG 15 1HH1 ARG 15 4.808 -4.634 -7.570
137 2HH1 ARG 15 2HH1 ARG 15 3.684 -5.446 -8.606
138 1HH2 ARG 15 1HH2 ARG 15 1.104 -5.515 -6.249
139 2HH2 ARG 15 2HH2 ARG 15 1.580 -5.946 -7.858
140 H CYS 16 H CYS 16 5.486 -4.603 0.561
141 HA CYS 16 HA CYS 16 8.183 -4.440 1.028
142 1HB CYS 16 2HB CYS 16 8.084 -2.497 2.790
143 2HB CYS 16 1HB CYS 16 8.356 -2.132 1.092
144 H ARG 17 H ARG 17 8.698 -4.497 3.492
145 HA ARG 17 HA ARG 17 6.659 -6.217 4.708
146 1HB ARG 17 2HB ARG 17 9.553 -5.834 5.499
147 2HB ARG 17 1HB ARG 17 8.445 -7.034 6.150
148 1HG ARG 17 2HG ARG 17 9.457 -8.365 4.648
149 2HG ARG 17 1HG ARG 17 8.284 -7.645 3.544
150 1HD ARG 17 2HD ARG 17 10.007 -5.891 3.025
151 2HD ARG 17 1HD ARG 17 11.162 -6.850 3.949
152 HE ARG 17 HE ARG 17 10.138 -7.414 1.313
153 1HH1 ARG 17 1HH1 ARG 17 11.660 -8.746 4.159
154 2HH1 ARG 17 2HH1 ARG 17 12.347 -10.092 3.314
155 1HH2 ARG 17 1HH2 ARG 17 11.042 -9.184 0.202
156 2HH2 ARG 17 2HH2 ARG 17 11.996 -10.341 1.068
Start of MODEL 10
1 1H LYS 1 1HT LYS 1 2.781 -12.335 3.609
2 2H LYS 1 2HT LYS 1 3.764 -13.357 4.576
3 3H LYS 1 3HT LYS 1 4.153 -11.693 4.409
4 HA LYS 1 HA LYS 1 1.831 -12.867 5.765
5 1HB LYS 1 2HB LYS 1 3.866 -13.005 7.047
6 2HB LYS 1 1HB LYS 1 4.263 -11.332 6.680
7 1HG LYS 1 2HG LYS 1 3.114 -10.605 8.431
8 2HG LYS 1 1HG LYS 1 1.678 -11.500 7.932
9 1HD LYS 1 2HD LYS 1 4.006 -12.764 9.366
10 2HD LYS 1 1HD LYS 1 2.596 -12.104 10.198
11 1HE LYS 1 2HE LYS 1 2.369 -14.171 8.026
12 2HE LYS 1 1HE LYS 1 2.592 -14.603 9.722
13 1HZ LYS 1 1HZ LYS 1 0.566 -13.019 10.038
14 2HZ LYS 1 2HZ LYS 1 0.326 -14.620 9.546
15 3HZ LYS 1 3HZ LYS 1 0.276 -13.369 8.408
16 H TRP 2 H TRP 2 3.465 -9.758 5.861
17 HA TRP 2 HA TRP 2 0.936 -8.373 5.879
18 1HB TRP 2 2HB TRP 2 3.468 -7.842 6.903
19 2HB TRP 2 1HB TRP 2 3.279 -6.669 5.605
20 HD1 TRP 2 HD TRP 2 0.561 -7.901 8.076
21 HE1 TRP 2 1HE TRP 2 -0.389 -5.845 9.300
22 HE3 TRP 2 3HE TRP 2 3.624 -4.306 6.118
23 HZ2 TRP 2 2HZ TRP 2 0.098 -3.066 9.420
24 HZ3 TRP 2 3HZ TRP 2 3.316 -1.974 6.838
25 HH2 TRP 2 HH TRP 2 1.589 -1.369 8.456
26 H CYS 3 H CYS 3 -0.115 -8.048 4.033
27 HA CYS 3 HA CYS 3 1.268 -6.772 1.824
28 1HB CYS 3 2HB CYS 3 0.943 -9.520 1.750
29 2HB CYS 3 1HB CYS 3 -0.426 -8.927 0.817
30 H PHE 4 H PHE 4 -0.066 -5.018 2.482
31 HA PHE 4 HA PHE 4 -2.646 -5.032 1.189
32 1HB PHE 4 2HB PHE 4 -2.337 -4.924 4.147
33 2HB PHE 4 1HB PHE 4 -3.557 -3.894 3.406
34 HD1 PHE 4 1HD PHE 4 -4.576 -5.552 1.244
35 HD2 PHE 4 2HD PHE 4 -3.476 -6.623 5.213
36 HE1 PHE 4 1HE PHE 4 -6.131 -7.456 1.156
37 HE2 PHE 4 2HE PHE 4 -5.027 -8.531 5.132
38 HZ PHE 4 HZ PHE 4 -6.358 -8.950 3.102
39 H ARG 5 H ARG 5 -1.297 -2.991 3.705
40 HA ARG 5 HA ARG 5 -0.644 -0.815 3.752
41 1HB ARG 5 2HB ARG 5 -0.180 -1.230 0.804
42 2HB ARG 5 1HB ARG 5 0.399 0.135 1.741
43 1HG ARG 5 2HG ARG 5 1.299 -2.714 1.827
44 2HG ARG 5 1HG ARG 5 2.253 -1.250 1.583
45 1HD ARG 5 2HD ARG 5 2.774 -1.874 3.762
46 2HD ARG 5 1HD ARG 5 1.535 -0.638 3.977
47 HE ARG 5 HE ARG 5 0.173 -2.225 4.896
48 1HH1 ARG 5 1HH1 ARG 5 2.731 -3.831 3.148
49 2HH1 ARG 5 2HH1 ARG 5 2.287 -5.410 3.701
50 1HH2 ARG 5 1HH2 ARG 5 -0.413 -4.302 5.623
51 2HH2 ARG 5 2HH2 ARG 5 0.502 -5.679 5.105
52 H VAL 6 H VAL 6 -0.995 1.368 2.299
53 HA VAL 6 HA VAL 6 -3.358 1.696 0.861
54 HB VAL 6 HB VAL 6 -3.728 1.607 3.783
55 1HG1 VAL 6 1HG1 VAL 6 -4.946 3.870 2.201
56 2HG1 VAL 6 2HG1 VAL 6 -3.835 4.012 3.563
57 3HG1 VAL 6 3HG1 VAL 6 -5.458 3.370 3.812
58 1HG2 VAL 6 1HG2 VAL 6 -5.227 0.185 2.949
59 2HG2 VAL 6 2HG2 VAL 6 -5.128 0.895 1.338
60 3HG2 VAL 6 3HG2 VAL 6 -6.191 1.607 2.552
61 H CYS 7 H CYS 7 -3.876 3.973 0.502
62 HA CYS 7 HA CYS 7 -1.495 5.616 0.779
63 1HB CYS 7 2HB CYS 7 -3.200 5.279 -1.299
64 2HB CYS 7 1HB CYS 7 -3.874 6.734 -0.573
65 H TYR 8 H TYR 8 -1.255 7.132 2.274
66 HA TYR 8 HA TYR 8 -3.661 8.303 3.503
67 1HB TYR 8 2HB TYR 8 -1.183 7.253 4.858
68 2HB TYR 8 1HB TYR 8 -2.245 8.419 5.639
69 HD1 TYR 8 1HD TYR 8 -1.463 5.202 5.881
70 HD2 TYR 8 2HD TYR 8 -4.905 7.535 4.989
71 HE1 TYR 8 1HE TYR 8 -2.902 3.363 6.654
72 HE2 TYR 8 2HE TYR 8 -6.355 5.704 5.760
73 HH TYR 8 HH TYR 8 -6.290 3.327 6.111
74 H ARG 9 H ARG 9 -3.366 10.434 4.398
75 HA ARG 9 HA ARG 9 -1.904 12.141 2.701
76 1HB ARG 9 2HB ARG 9 -2.455 13.874 4.576
77 2HB ARG 9 1HB ARG 9 -3.744 13.206 3.589
78 1HG ARG 9 2HG ARG 9 -4.419 13.295 5.899
79 2HG ARG 9 1HG ARG 9 -4.278 11.617 5.385
80 1HD ARG 9 2HD ARG 9 -1.796 12.648 6.490
81 2HD ARG 9 1HD ARG 9 -3.133 12.761 7.630
82 HE ARG 9 HE ARG 9 -3.232 10.215 6.554
83 1HH1 ARG 9 1HH1 ARG 9 -0.998 12.112 8.445
84 2HH1 ARG 9 2HH1 ARG 9 -0.324 10.740 9.257
85 1HH2 ARG 9 1HH2 ARG 9 -2.349 8.406 7.622
86 2HH2 ARG 9 2HH2 ARG 9 -1.090 8.636 8.790
87 H GLY 10 H GLY 10 -0.956 10.416 5.496
88 1HA GLY 10 2HA GLY 10 1.335 12.202 5.944
89 2HA GLY 10 1HA GLY 10 0.789 10.944 7.042
90 H ILE 11 H ILE 11 0.514 9.098 4.651
91 HA ILE 11 HA ILE 11 3.062 8.734 3.494
92 HB ILE 11 HB ILE 11 3.846 8.135 5.677
93 1HG1 ILE 11 2HG1 ILE 11 4.611 5.862 5.322
94 2HG1 ILE 11 1HG1 ILE 11 3.296 5.554 4.195
95 1HG2 ILE 11 1HG2 ILE 11 1.508 6.240 5.821
96 2HG2 ILE 11 2HG2 ILE 11 1.720 7.720 6.755
97 3HG2 ILE 11 3HG2 ILE 11 2.805 6.353 7.010
98 1HD1 ILE 11 1HD1 ILE 11 5.872 6.427 3.604
99 2HD1 ILE 11 2HD1 ILE 11 4.830 7.827 3.347
100 3HD1 ILE 11 3HD1 ILE 11 4.498 6.314 2.504
101 H CYS 12 H CYS 12 2.631 7.699 1.665
102 HA CYS 12 HA CYS 12 0.230 6.047 1.504
103 1HB CYS 12 2HB CYS 12 0.654 7.880 -0.163
104 2HB CYS 12 1HB CYS 12 2.027 6.952 -0.752
105 H TYR 13 H TYR 13 0.842 4.127 2.433
106 HA TYR 13 HA TYR 13 3.254 2.768 1.672
107 1HB TYR 13 2HB TYR 13 0.846 1.819 3.237
108 2HB TYR 13 1HB TYR 13 2.349 0.920 3.055
109 HD1 TYR 13 1HD TYR 13 4.514 2.211 3.784
110 HD2 TYR 13 2HD TYR 13 0.585 3.196 5.081
111 HE1 TYR 13 1HE TYR 13 5.456 3.375 5.728
112 HE2 TYR 13 2HE TYR 13 1.516 4.363 7.034
113 HH TYR 13 HH TYR 13 4.563 5.361 7.300
114 H ARG 14 H ARG 14 3.499 1.084 0.259
115 HA ARG 14 HA ARG 14 1.188 0.508 -1.468
116 1HB ARG 14 2HB ARG 14 3.124 1.566 -2.570
117 2HB ARG 14 1HB ARG 14 4.135 0.220 -2.062
118 1HG ARG 14 2HG ARG 14 1.742 -0.585 -3.535
119 2HG ARG 14 1HG ARG 14 2.858 0.419 -4.461
120 1HD ARG 14 2HD ARG 14 3.564 -2.116 -2.988
121 2HD ARG 14 1HD ARG 14 3.357 -1.960 -4.731
122 HE ARG 14 HE ARG 14 5.264 -0.132 -4.188
123 1HH1 ARG 14 1HH1 ARG 14 4.928 -3.511 -3.384
124 2HH1 ARG 14 2HH1 ARG 14 6.635 -3.803 -3.363
125 1HH2 ARG 14 1HH2 ARG 14 7.509 -0.515 -4.162
126 2HH2 ARG 14 2HH2 ARG 14 8.100 -2.103 -3.804
127 H ARG 15 H ARG 15 0.264 -1.374 -1.193
128 HA ARG 15 HA ARG 15 0.280 -3.397 0.273
129 1HB ARG 15 2HB ARG 15 -0.047 -3.267 -2.549
130 2HB ARG 15 1HB ARG 15 0.735 -4.794 -2.166
131 1HG ARG 15 2HG ARG 15 -1.317 -5.564 -1.792
132 2HG ARG 15 1HG ARG 15 -1.251 -4.654 -0.282
133 1HD ARG 15 2HD ARG 15 -2.111 -2.676 -1.688
134 2HD ARG 15 1HD ARG 15 -2.540 -3.901 -2.883
135 HE ARG 15 HE ARG 15 -3.656 -4.843 -0.608
136 1HH1 ARG 15 1HH1 ARG 15 -3.807 -1.760 -2.238
137 2HH1 ARG 15 2HH1 ARG 15 -5.408 -1.404 -1.683
138 1HH2 ARG 15 1HH2 ARG 15 -5.762 -4.376 0.123
139 2HH2 ARG 15 2HH2 ARG 15 -6.518 -2.888 -0.342
140 H CYS 16 H CYS 16 1.581 -4.635 1.424
141 HA CYS 16 HA CYS 16 3.342 -5.914 2.081
142 1HB CYS 16 2HB CYS 16 3.327 -6.209 -0.824
143 2HB CYS 16 1HB CYS 16 4.937 -6.392 -0.135
144 H ARG 17 H ARG 17 4.585 -4.680 3.338
145 HA ARG 17 HA ARG 17 5.930 -2.354 2.591
146 1HB ARG 17 2HB ARG 17 6.170 -4.259 4.884
147 2HB ARG 17 1HB ARG 17 7.390 -3.009 4.684
148 1HG ARG 17 2HG ARG 17 4.471 -2.336 4.712
149 2HG ARG 17 1HG ARG 17 5.388 -2.530 6.208
150 1HD ARG 17 2HD ARG 17 6.912 -0.882 4.484
151 2HD ARG 17 1HD ARG 17 5.256 -0.279 4.462
152 HE ARG 17 HE ARG 17 7.106 -0.193 6.661
153 1HH1 ARG 17 1HH1 ARG 17 3.739 -0.137 5.743
154 2HH1 ARG 17 2HH1 ARG 17 3.231 0.678 7.183
155 1HH2 ARG 17 1HH2 ARG 17 6.439 0.878 8.557
156 2HH2 ARG 17 2HH2 ARG 17 4.763 1.255 8.782
Start of MODEL 11
1 1H LYS 1 1HT LYS 1 -8.139 -6.918 9.349
2 2H LYS 1 2HT LYS 1 -8.951 -6.165 8.037
3 3H LYS 1 3HT LYS 1 -8.578 -5.265 9.448
4 HA LYS 1 HA LYS 1 -6.617 -6.467 7.612
5 1HB LYS 1 2HB LYS 1 -7.969 -3.818 7.777
6 2HB LYS 1 1HB LYS 1 -6.259 -3.830 7.365
7 1HG LYS 1 2HG LYS 1 -7.695 -5.795 5.823
8 2HG LYS 1 1HG LYS 1 -8.416 -4.194 5.642
9 1HD LYS 1 2HD LYS 1 -6.688 -4.599 3.955
10 2HD LYS 1 1HD LYS 1 -6.245 -3.271 5.029
11 1HE LYS 1 2HE LYS 1 -4.425 -4.340 5.757
12 2HE LYS 1 1HE LYS 1 -5.311 -5.845 6.002
13 1HZ LYS 1 1HZ LYS 1 -3.416 -5.551 4.172
14 2HZ LYS 1 2HZ LYS 1 -4.760 -5.117 3.242
15 3HZ LYS 1 3HZ LYS 1 -4.708 -6.630 3.996
16 H TRP 2 H TRP 2 -4.478 -5.267 7.948
17 HA TRP 2 HA TRP 2 -3.836 -5.424 10.767
18 1HB TRP 2 2HB TRP 2 -2.435 -5.880 8.318
19 2HB TRP 2 1HB TRP 2 -1.554 -4.676 9.254
20 HD1 TRP 2 HD TRP 2 -3.384 -7.894 10.441
21 HE1 TRP 2 1HE TRP 2 -1.713 -9.285 11.821
22 HE3 TRP 2 3HE TRP 2 0.758 -4.935 9.934
23 HZ2 TRP 2 2HZ TRP 2 0.999 -9.146 12.591
24 HZ3 TRP 2 3HZ TRP 2 2.849 -5.636 11.023
25 HH2 TRP 2 HH TRP 2 2.965 -7.697 12.325
26 H CYS 3 H CYS 3 -3.448 -3.091 8.160
27 HA CYS 3 HA CYS 3 -3.814 -0.911 10.024
28 1HB CYS 3 2HB CYS 3 -1.270 -1.209 8.435
29 2HB CYS 3 1HB CYS 3 -1.749 0.259 9.276
30 H PHE 4 H PHE 4 -2.338 -0.937 6.829
31 HA PHE 4 HA PHE 4 -4.663 -0.351 5.366
32 1HB PHE 4 2HB PHE 4 -4.381 2.038 4.950
33 2HB PHE 4 1HB PHE 4 -4.638 1.734 6.666
34 HD1 PHE 4 1HD PHE 4 -2.733 1.882 8.240
35 HD2 PHE 4 2HD PHE 4 -2.381 3.021 4.155
36 HE1 PHE 4 1HE PHE 4 -0.679 3.129 8.769
37 HE2 PHE 4 2HE PHE 4 -0.326 4.270 4.676
38 HZ PHE 4 HZ PHE 4 0.528 4.324 6.986
39 H ARG 5 H ARG 5 -4.118 -1.197 3.482
40 HA ARG 5 HA ARG 5 -1.361 -1.032 2.535
41 1HB ARG 5 2HB ARG 5 -3.091 -3.099 2.516
42 2HB ARG 5 1HB ARG 5 -3.430 -2.424 0.929
43 1HG ARG 5 2HG ARG 5 -0.671 -3.150 1.876
44 2HG ARG 5 1HG ARG 5 -1.716 -4.238 0.965
45 1HD ARG 5 2HD ARG 5 -1.579 -1.680 -0.334
46 2HD ARG 5 1HD ARG 5 0.045 -2.297 -0.041
47 HE ARG 5 HE ARG 5 -1.894 -3.330 -1.886
48 1HH1 ARG 5 1HH1 ARG 5 0.898 -4.122 0.055
49 2HH1 ARG 5 2HH1 ARG 5 1.370 -5.456 -0.944
50 1HH2 ARG 5 1HH2 ARG 5 -1.272 -5.083 -3.201
51 2HH2 ARG 5 2HH2 ARG 5 0.139 -6.001 -2.794
52 H VAL 6 H VAL 6 -1.711 1.349 2.220
53 HA VAL 6 HA VAL 6 -1.899 1.991 -0.478
54 HB VAL 6 HB VAL 6 -4.407 1.499 0.249
55 1HG1 VAL 6 1HG1 VAL 6 -4.449 4.447 0.670
56 2HG1 VAL 6 2HG1 VAL 6 -4.102 3.383 2.033
57 3HG1 VAL 6 3HG1 VAL 6 -5.621 3.220 1.154
58 1HG2 VAL 6 1HG2 VAL 6 -3.154 3.180 -1.749
59 2HG2 VAL 6 2HG2 VAL 6 -4.800 3.696 -1.385
60 3HG2 VAL 6 3HG2 VAL 6 -4.489 2.039 -1.906
61 H CYS 7 H CYS 7 -2.742 4.623 -0.457
62 HA CYS 7 HA CYS 7 -0.704 5.821 1.241
63 1HB CYS 7 2HB CYS 7 -2.333 7.195 -0.891
64 2HB CYS 7 1HB CYS 7 -0.813 7.732 -0.187
65 H TYR 8 H TYR 8 -1.233 6.619 3.139
66 HA TYR 8 HA TYR 8 -3.916 7.790 3.487
67 1HB TYR 8 2HB TYR 8 -2.385 5.880 5.152
68 2HB TYR 8 1HB TYR 8 -3.213 7.163 6.026
69 HD1 TYR 8 1HD TYR 8 -5.037 6.159 7.054
70 HD2 TYR 8 2HD TYR 8 -4.239 5.289 2.968
71 HE1 TYR 8 1HE TYR 8 -7.140 4.893 6.919
72 HE2 TYR 8 2HE TYR 8 -6.341 4.021 2.820
73 HH TYR 8 HH TYR 8 -7.849 2.739 4.666
74 H ARG 9 H ARG 9 -3.863 9.197 5.615
75 HA ARG 9 HA ARG 9 -3.352 11.380 6.170
76 1HB ARG 9 2HB ARG 9 -0.781 11.076 7.169
77 2HB ARG 9 1HB ARG 9 -2.283 10.795 8.038
78 1HG ARG 9 2HG ARG 9 -2.218 8.463 7.558
79 2HG ARG 9 1HG ARG 9 -0.867 8.675 6.443
80 1HD ARG 9 2HD ARG 9 -0.325 7.778 8.752
81 2HD ARG 9 1HD ARG 9 0.634 9.140 8.178
82 HE ARG 9 HE ARG 9 -0.270 10.449 9.836
83 1HH1 ARG 9 1HH1 ARG 9 -2.070 7.468 9.610
84 2HH1 ARG 9 2HH1 ARG 9 -2.954 7.746 11.072
85 1HH2 ARG 9 1HH2 ARG 9 -1.431 10.815 11.759
86 2HH2 ARG 9 2HH2 ARG 9 -2.592 9.646 12.291
87 H GLY 10 H GLY 10 0.031 10.651 5.491
88 1HA GLY 10 2HA GLY 10 -0.036 12.389 3.137
89 2HA GLY 10 1HA GLY 10 0.964 12.889 4.492
90 H ILE 11 H ILE 11 0.697 9.507 4.010
91 HA ILE 11 HA ILE 11 3.021 9.334 2.285
92 HB ILE 11 HB ILE 11 3.872 9.630 4.646
93 1HG1 ILE 11 2HG1 ILE 11 5.054 8.439 2.701
94 2HG1 ILE 11 1HG1 ILE 11 5.666 8.152 4.326
95 1HG2 ILE 11 1HG2 ILE 11 3.714 7.815 6.208
96 2HG2 ILE 11 2HG2 ILE 11 2.803 6.843 5.051
97 3HG2 ILE 11 3HG2 ILE 11 2.087 8.305 5.733
98 1HD1 ILE 11 1HD1 ILE 11 5.406 5.980 4.056
99 2HD1 ILE 11 2HD1 ILE 11 4.853 6.267 2.407
100 3HD1 ILE 11 3HD1 ILE 11 3.687 6.194 3.727
101 H CYS 12 H CYS 12 3.345 7.204 1.436
102 HA CYS 12 HA CYS 12 0.950 5.535 1.675
103 1HB CYS 12 2HB CYS 12 1.999 6.529 -0.577
104 2HB CYS 12 1HB CYS 12 2.931 5.039 -0.483
105 H TYR 13 H TYR 13 1.080 3.783 2.858
106 HA TYR 13 HA TYR 13 3.686 2.436 3.071
107 1HB TYR 13 2HB TYR 13 1.833 3.348 5.129
108 2HB TYR 13 1HB TYR 13 2.229 1.643 5.300
109 HD1 TYR 13 1HD TYR 13 4.607 4.048 3.866
110 HD2 TYR 13 2HD TYR 13 3.420 1.955 7.375
111 HE1 TYR 13 1HE TYR 13 6.736 4.650 4.940
112 HE2 TYR 13 2HE TYR 13 5.543 2.552 8.459
113 HH TYR 13 HH TYR 13 7.642 4.905 7.220
114 H ARG 14 H ARG 14 3.692 0.160 3.179
115 HA ARG 14 HA ARG 14 1.880 -1.136 1.476
116 1HB ARG 14 2HB ARG 14 4.335 -1.730 2.534
117 2HB ARG 14 1HB ARG 14 3.298 -2.866 3.386
118 1HG ARG 14 2HG ARG 14 2.469 -3.721 1.258
119 2HG ARG 14 1HG ARG 14 3.493 -2.572 0.394
120 1HD ARG 14 2HD ARG 14 5.244 -3.934 0.545
121 2HD ARG 14 1HD ARG 14 5.054 -4.064 2.292
122 HE ARG 14 HE ARG 14 3.146 -5.726 1.343
123 1HH1 ARG 14 1HH1 ARG 14 6.566 -5.427 0.716
124 2HH1 ARG 14 2HH1 ARG 14 6.778 -7.111 0.377
125 1HH2 ARG 14 1HH2 ARG 14 3.424 -7.942 0.899
126 2HH2 ARG 14 2HH2 ARG 14 4.995 -8.539 0.481
127 H ARG 15 H ARG 15 1.490 -3.610 2.998
128 HA ARG 15 HA ARG 15 -1.090 -3.363 3.836
129 1HB ARG 15 2HB ARG 15 -0.045 -5.522 3.500
130 2HB ARG 15 1HB ARG 15 1.016 -5.259 4.877
131 1HG ARG 15 2HG ARG 15 -1.565 -4.958 5.887
132 2HG ARG 15 1HG ARG 15 -1.651 -6.339 4.791
133 1HD ARG 15 2HD ARG 15 0.564 -6.091 6.796
134 2HD ARG 15 1HD ARG 15 -1.007 -6.742 7.260
135 HE ARG 15 HE ARG 15 -0.296 -8.155 5.028
136 1HH1 ARG 15 1HH1 ARG 15 1.151 -7.568 8.149
137 2HH1 ARG 15 2HH1 ARG 15 1.978 -9.088 8.192
138 1HH2 ARG 15 1HH2 ARG 15 0.791 -10.155 5.081
139 2HH2 ARG 15 2HH2 ARG 15 1.775 -10.557 6.450
140 H CYS 16 H CYS 16 1.776 -2.552 5.598
141 HA CYS 16 HA CYS 16 0.480 -0.905 7.428
142 1HB CYS 16 2HB CYS 16 -0.433 -2.910 8.435
143 2HB CYS 16 1HB CYS 16 1.171 -3.628 8.531
144 H ARG 17 H ARG 17 3.005 -3.198 8.247
145 HA ARG 17 HA ARG 17 5.207 -2.952 8.754
146 1HB ARG 17 2HB ARG 17 4.752 -1.442 6.351
147 2HB ARG 17 1HB ARG 17 5.976 -0.638 7.323
148 1HG ARG 17 2HG ARG 17 7.506 -2.218 6.924
149 2HG ARG 17 1HG ARG 17 6.343 -3.531 7.109
150 1HD ARG 17 2HD ARG 17 5.670 -2.142 4.740
151 2HD ARG 17 1HD ARG 17 7.413 -2.399 4.715
152 HE ARG 17 HE ARG 17 7.042 -4.634 4.417
153 1HH1 ARG 17 1HH1 ARG 17 4.088 -3.149 5.528
154 2HH1 ARG 17 2HH1 ARG 17 3.134 -4.573 5.288
155 1HH2 ARG 17 1HH2 ARG 17 5.789 -6.509 4.100
156 2HH2 ARG 17 2HH2 ARG 17 4.099 -6.482 4.477
Start of MODEL 12
1 1H LYS 1 1HT LYS 1 -0.339 -2.872 9.137
2 2H LYS 1 2HT LYS 1 -1.229 -3.679 7.912
3 3H LYS 1 3HT LYS 1 -1.877 -2.280 8.667
4 HA LYS 1 HA LYS 1 -1.135 -1.520 6.670
5 1HB LYS 1 2HB LYS 1 0.664 -0.033 7.271
6 2HB LYS 1 1HB LYS 1 -0.376 -0.249 8.672
7 1HG LYS 1 2HG LYS 1 1.528 -2.227 8.969
8 2HG LYS 1 1HG LYS 1 2.438 -0.858 8.332
9 1HD LYS 1 2HD LYS 1 2.539 -0.299 10.526
10 2HD LYS 1 1HD LYS 1 0.967 0.418 10.170
11 1HE LYS 1 2HE LYS 1 0.913 -2.429 10.902
12 2HE LYS 1 1HE LYS 1 1.432 -1.335 12.183
13 1HZ LYS 1 1HZ LYS 1 -0.923 -0.506 10.709
14 2HZ LYS 1 2HZ LYS 1 -0.608 -0.448 12.369
15 3HZ LYS 1 3HZ LYS 1 -1.116 -1.895 11.656
16 H TRP 2 H TRP 2 0.725 -4.126 7.881
17 HA TRP 2 HA TRP 2 2.913 -4.125 6.151
18 1HB TRP 2 2HB TRP 2 1.559 -6.094 7.863
19 2HB TRP 2 1HB TRP 2 2.443 -6.785 6.507
20 HD1 TRP 2 HD TRP 2 3.088 -6.505 9.887
21 HE1 TRP 2 1HE TRP 2 5.541 -5.981 10.462
22 HE3 TRP 2 3HE TRP 2 4.636 -4.761 5.336
23 HZ2 TRP 2 2HZ TRP 2 7.831 -4.964 9.160
24 HZ3 TRP 2 3HZ TRP 2 6.972 -4.032 5.085
25 HH2 TRP 2 HH TRP 2 8.536 -4.132 6.958
26 H CYS 3 H CYS 3 0.315 -6.465 5.836
27 HA CYS 3 HA CYS 3 0.627 -6.373 2.932
28 1HB CYS 3 2HB CYS 3 0.414 -8.496 4.656
29 2HB CYS 3 1HB CYS 3 -1.231 -8.358 4.045
30 H PHE 4 H PHE 4 -0.798 -4.282 4.427
31 HA PHE 4 HA PHE 4 -3.508 -4.661 3.347
32 1HB PHE 4 2HB PHE 4 -2.545 -3.602 5.868
33 2HB PHE 4 1HB PHE 4 -3.576 -2.439 5.041
34 HD1 PHE 4 1HD PHE 4 -3.614 -4.916 7.400
35 HD2 PHE 4 2HD PHE 4 -5.719 -3.706 3.903
36 HE1 PHE 4 1HE PHE 4 -5.604 -6.136 8.178
37 HE2 PHE 4 2HE PHE 4 -7.711 -4.924 4.677
38 HZ PHE 4 HZ PHE 4 -7.657 -6.141 6.816
39 H ARG 5 H ARG 5 -0.663 -2.714 3.255
40 HA ARG 5 HA ARG 5 -0.034 -0.928 1.998
41 1HB ARG 5 2HB ARG 5 -2.316 -1.729 0.187
42 2HB ARG 5 1HB ARG 5 -0.872 -0.830 -0.258
43 1HG ARG 5 2HG ARG 5 0.301 -2.684 -0.593
44 2HG ARG 5 1HG ARG 5 -0.226 -3.387 0.937
45 1HD ARG 5 2HD ARG 5 -2.493 -3.660 -0.434
46 2HD ARG 5 1HD ARG 5 -1.362 -3.676 -1.788
47 HE ARG 5 HE ARG 5 -0.652 -5.454 0.366
48 1HH1 ARG 5 1HH1 ARG 5 -2.465 -5.108 -2.598
49 2HH1 ARG 5 2HH1 ARG 5 -2.481 -6.805 -2.933
50 1HH2 ARG 5 1HH2 ARG 5 -0.671 -7.687 -0.076
51 2HH2 ARG 5 2HH2 ARG 5 -1.463 -8.271 -1.501
52 H VAL 6 H VAL 6 -2.112 0.540 0.256
53 HA VAL 6 HA VAL 6 -3.651 2.221 0.435
54 HB VAL 6 HB VAL 6 -3.888 1.699 3.393
55 1HG1 VAL 6 1HG1 VAL 6 -6.336 2.415 2.545
56 2HG1 VAL 6 2HG1 VAL 6 -5.339 3.282 1.375
57 3HG1 VAL 6 3HG1 VAL 6 -5.121 3.565 3.101
58 1HG2 VAL 6 1HG2 VAL 6 -4.876 0.094 1.115
59 2HG2 VAL 6 2HG2 VAL 6 -6.019 0.408 2.419
60 3HG2 VAL 6 3HG2 VAL 6 -4.487 -0.394 2.763
61 H CYS 7 H CYS 7 -3.632 4.437 1.021
62 HA CYS 7 HA CYS 7 -1.212 5.260 2.486
63 1HB CYS 7 2HB CYS 7 -0.892 5.764 0.156
64 2HB CYS 7 1HB CYS 7 -2.485 6.504 0.042
65 H TYR 8 H TYR 8 -1.317 7.269 3.621
66 HA TYR 8 HA TYR 8 -4.029 8.216 4.219
67 1HB TYR 8 2HB TYR 8 -2.126 6.943 6.045
68 2HB TYR 8 1HB TYR 8 -2.718 8.493 6.630
69 HD1 TYR 8 1HD TYR 8 -5.269 8.831 6.679
70 HD2 TYR 8 2HD TYR 8 -3.422 5.017 6.295
71 HE1 TYR 8 1HE TYR 8 -7.347 7.756 7.435
72 HE2 TYR 8 2HE TYR 8 -5.495 3.931 7.050
73 HH TYR 8 HH TYR 8 -8.105 5.696 8.412
74 H ARG 9 H ARG 9 -2.868 9.664 2.491
75 HA ARG 9 HA ARG 9 -2.016 11.686 1.922
76 1HB ARG 9 2HB ARG 9 -3.529 12.024 4.337
77 2HB ARG 9 1HB ARG 9 -2.190 13.163 4.324
78 1HG ARG 9 2HG ARG 9 -4.093 12.837 2.022
79 2HG ARG 9 1HG ARG 9 -4.337 13.995 3.333
80 1HD ARG 9 2HD ARG 9 -2.121 13.909 1.303
81 2HD ARG 9 1HD ARG 9 -3.291 15.195 1.590
82 HE ARG 9 HE ARG 9 -0.834 14.736 3.009
83 1HH1 ARG 9 1HH1 ARG 9 -4.005 16.182 3.175
84 2HH1 ARG 9 2HH1 ARG 9 -3.556 17.328 4.392
85 1HH2 ARG 9 1HH2 ARG 9 -0.242 16.241 4.612
86 2HH2 ARG 9 2HH2 ARG 9 -1.420 17.361 5.209
87 H GLY 10 H GLY 10 -1.042 11.910 5.322
88 1HA GLY 10 2HA GLY 10 1.481 12.943 4.817
89 2HA GLY 10 1HA GLY 10 1.017 12.130 6.301
90 H ILE 11 H ILE 11 0.455 9.617 4.717
91 HA ILE 11 HA ILE 11 3.099 8.869 3.796
92 HB ILE 11 HB ILE 11 3.214 8.532 6.231
93 1HG1 ILE 11 2HG1 ILE 11 4.061 6.269 6.180
94 2HG1 ILE 11 1HG1 ILE 11 3.091 5.893 4.757
95 1HG2 ILE 11 1HG2 ILE 11 1.788 7.115 7.424
96 2HG2 ILE 11 2HG2 ILE 11 1.132 6.390 5.955
97 3HG2 ILE 11 3HG2 ILE 11 0.708 8.048 6.384
98 1HD1 ILE 11 1HD1 ILE 11 4.772 8.171 4.271
99 2HD1 ILE 11 2HD1 ILE 11 4.676 6.636 3.408
100 3HD1 ILE 11 3HD1 ILE 11 5.721 6.789 4.820
101 H CYS 12 H CYS 12 3.095 7.194 2.364
102 HA CYS 12 HA CYS 12 0.503 5.888 1.863
103 1HB CYS 12 2HB CYS 12 2.632 6.648 -0.147
104 2HB CYS 12 1HB CYS 12 1.163 5.755 -0.518
105 H TYR 13 H TYR 13 0.575 3.720 1.043
106 HA TYR 13 HA TYR 13 3.111 2.306 1.260
107 1HB TYR 13 2HB TYR 13 0.910 2.106 3.215
108 2HB TYR 13 1HB TYR 13 1.546 0.566 2.645
109 HD1 TYR 13 1HD TYR 13 3.523 -0.300 3.543
110 HD2 TYR 13 2HD TYR 13 2.581 3.805 4.149
111 HE1 TYR 13 1HE TYR 13 5.408 -0.104 5.108
112 HE2 TYR 13 2HE TYR 13 4.466 4.012 5.713
113 HH TYR 13 HH TYR 13 6.161 1.287 6.923
114 H ARG 14 H ARG 14 3.266 0.675 -0.176
115 HA ARG 14 HA ARG 14 0.875 -0.593 -1.232
116 1HB ARG 14 2HB ARG 14 1.533 -0.152 -3.584
117 2HB ARG 14 1HB ARG 14 1.071 1.303 -2.713
118 1HG ARG 14 2HG ARG 14 3.482 1.780 -2.349
119 2HG ARG 14 1HG ARG 14 3.863 0.396 -3.375
120 1HD ARG 14 2HD ARG 14 1.976 2.397 -4.468
121 2HD ARG 14 1HD ARG 14 3.659 2.898 -4.308
122 HE ARG 14 HE ARG 14 3.471 0.361 -5.564
123 1HH1 ARG 14 1HH1 ARG 14 3.028 3.770 -6.158
124 2HH1 ARG 14 2HH1 ARG 14 3.347 3.643 -7.856
125 1HH2 ARG 14 1HH2 ARG 14 3.891 0.191 -7.795
126 2HH2 ARG 14 2HH2 ARG 14 3.836 1.611 -8.786
127 H ARG 15 H ARG 15 2.417 -1.992 0.278
128 HA ARG 15 HA ARG 15 3.558 -3.958 -1.448
129 1HB ARG 15 2HB ARG 15 5.808 -3.845 -0.103
130 2HB ARG 15 1HB ARG 15 5.567 -2.833 -1.519
131 1HG ARG 15 2HG ARG 15 4.638 -1.504 0.866
132 2HG ARG 15 1HG ARG 15 6.318 -2.017 1.033
133 1HD ARG 15 2HD ARG 15 5.138 -0.300 -1.146
134 2HD ARG 15 1HD ARG 15 6.279 0.197 0.104
135 HE ARG 15 HE ARG 15 7.628 -1.752 -1.159
136 1HH1 ARG 15 1HH1 ARG 15 5.918 1.049 -2.350
137 2HH1 ARG 15 2HH1 ARG 15 6.936 1.233 -3.737
138 1HH2 ARG 15 1HH2 ARG 15 8.967 -1.508 -2.985
139 2HH2 ARG 15 2HH2 ARG 15 8.666 -0.217 -4.099
140 H CYS 16 H CYS 16 4.319 -5.867 -0.246
141 HA CYS 16 HA CYS 16 3.056 -6.033 2.412
142 1HB CYS 16 2HB CYS 16 1.801 -7.297 0.722
143 2HB CYS 16 1HB CYS 16 3.256 -8.192 0.301
144 H ARG 17 H ARG 17 4.516 -6.240 3.959
145 HA ARG 17 HA ARG 17 6.362 -6.867 5.131
146 1HB ARG 17 2HB ARG 17 6.566 -9.136 3.146
147 2HB ARG 17 1HB ARG 17 7.246 -9.082 4.767
148 1HG ARG 17 2HG ARG 17 4.308 -8.764 4.462
149 2HG ARG 17 1HG ARG 17 5.011 -10.369 4.250
150 1HD ARG 17 2HD ARG 17 5.427 -10.601 6.440
151 2HD ARG 17 1HD ARG 17 6.020 -8.947 6.594
152 HE ARG 17 HE ARG 17 3.970 -8.350 7.387
153 1HH1 ARG 17 1HH1 ARG 17 3.629 -11.342 5.625
154 2HH1 ARG 17 2HH1 ARG 17 1.962 -11.546 6.047
155 1HH2 ARG 17 1HH2 ARG 17 1.778 -8.615 7.943
156 2HH2 ARG 17 2HH2 ARG 17 0.911 -9.997 7.363
Start of MODEL 13
1 1H LYS 1 1HT LYS 1 6.807 -7.881 6.367
2 2H LYS 1 2HT LYS 1 5.723 -9.044 7.014
3 3H LYS 1 3HT LYS 1 7.416 -9.244 7.208
4 HA LYS 1 HA LYS 1 6.155 -8.435 9.172
5 1HB LYS 1 2HB LYS 1 7.967 -6.827 9.718
6 2HB LYS 1 1HB LYS 1 8.567 -8.318 9.005
7 1HG LYS 1 2HG LYS 1 9.439 -7.263 7.243
8 2HG LYS 1 1HG LYS 1 8.024 -6.226 7.046
9 1HD LYS 1 2HD LYS 1 9.399 -4.585 7.729
10 2HD LYS 1 1HD LYS 1 9.106 -5.238 9.341
11 1HE LYS 1 2HE LYS 1 11.221 -6.634 7.894
12 2HE LYS 1 1HE LYS 1 11.563 -4.924 8.151
13 1HZ LYS 1 1HZ LYS 1 11.600 -5.175 10.409
14 2HZ LYS 1 2HZ LYS 1 12.201 -6.685 9.940
15 3HZ LYS 1 3HZ LYS 1 10.582 -6.527 10.406
16 H TRP 2 H TRP 2 4.053 -7.655 8.303
17 HA TRP 2 HA TRP 2 2.469 -6.034 8.100
18 1HB TRP 2 2HB TRP 2 3.638 -5.240 10.202
19 2HB TRP 2 1HB TRP 2 4.542 -4.123 9.185
20 HD1 TRP 2 HD TRP 2 0.739 -4.930 9.226
21 HE1 TRP 2 1HE TRP 2 -0.532 -2.705 9.467
22 HE3 TRP 2 3HE TRP 2 4.726 -1.751 9.624
23 HZ2 TRP 2 2HZ TRP 2 0.072 0.033 9.784
24 HZ3 TRP 2 3HZ TRP 2 4.292 0.655 9.894
25 HH2 TRP 2 HH TRP 2 2.012 1.528 9.970
26 H CYS 3 H CYS 3 2.581 -6.201 5.797
27 HA CYS 3 HA CYS 3 4.195 -4.203 4.420
28 1HB CYS 3 2HB CYS 3 3.297 -6.803 3.762
29 2HB CYS 3 1HB CYS 3 2.527 -5.696 2.629
30 H PHE 4 H PHE 4 0.907 -4.833 5.322
31 HA PHE 4 HA PHE 4 -1.068 -3.759 4.901
32 1HB PHE 4 2HB PHE 4 -0.737 -1.168 5.009
33 2HB PHE 4 1HB PHE 4 -0.381 -2.152 6.422
34 HD1 PHE 4 1HD PHE 4 1.901 -2.498 7.156
35 HD2 PHE 4 2HD PHE 4 1.021 -0.095 3.757
36 HE1 PHE 4 1HE PHE 4 4.179 -1.572 7.225
37 HE2 PHE 4 2HE PHE 4 3.298 0.836 3.821
38 HZ PHE 4 HZ PHE 4 4.881 0.097 5.557
39 H ARG 5 H ARG 5 -1.883 -1.556 3.588
40 HA ARG 5 HA ARG 5 -0.772 -1.122 1.043
41 1HB ARG 5 2HB ARG 5 -1.376 -3.392 0.530
42 2HB ARG 5 1HB ARG 5 -2.995 -3.162 1.175
43 1HG ARG 5 2HG ARG 5 -2.917 -3.189 -1.289
44 2HG ARG 5 1HG ARG 5 -3.566 -1.686 -0.631
45 1HD ARG 5 2HD ARG 5 -1.534 -0.527 -1.058
46 2HD ARG 5 1HD ARG 5 -0.687 -2.026 -1.440
47 HE ARG 5 HE ARG 5 -2.603 -2.010 -3.300
48 1HH1 ARG 5 1HH1 ARG 5 -0.410 0.499 -2.257
49 2HH1 ARG 5 2HH1 ARG 5 -0.367 1.274 -3.804
50 1HH2 ARG 5 1HH2 ARG 5 -2.546 -0.991 -5.333
51 2HH2 ARG 5 2HH2 ARG 5 -1.580 0.431 -5.549
52 H VAL 6 H VAL 6 -1.284 0.992 1.626
53 HA VAL 6 HA VAL 6 -3.705 2.014 0.676
54 HB VAL 6 HB VAL 6 -4.675 1.026 2.705
55 1HG1 VAL 6 1HG1 VAL 6 -3.046 2.954 4.330
56 2HG1 VAL 6 2HG1 VAL 6 -2.515 1.297 4.030
57 3HG1 VAL 6 3HG1 VAL 6 -4.028 1.598 4.884
58 1HG2 VAL 6 1HG2 VAL 6 -4.589 4.014 2.463
59 2HG2 VAL 6 2HG2 VAL 6 -5.593 3.218 3.674
60 3HG2 VAL 6 3HG2 VAL 6 -5.858 2.897 1.960
61 H CYS 7 H CYS 7 -3.537 4.183 0.340
62 HA CYS 7 HA CYS 7 -1.032 5.425 1.137
63 1HB CYS 7 2HB CYS 7 -2.261 5.466 -1.226
64 2HB CYS 7 1HB CYS 7 -3.040 6.876 -0.518
65 H TYR 8 H TYR 8 -0.970 6.442 3.027
66 HA TYR 8 HA TYR 8 -3.392 7.643 4.117
67 1HB TYR 8 2HB TYR 8 -0.751 6.821 5.228
68 2HB TYR 8 1HB TYR 8 -1.630 8.105 6.053
69 HD1 TYR 8 1HD TYR 8 -0.925 4.946 6.588
70 HD2 TYR 8 2HD TYR 8 -4.413 7.246 5.788
71 HE1 TYR 8 1HE TYR 8 -2.295 3.259 7.738
72 HE2 TYR 8 2HE TYR 8 -5.792 5.566 6.937
73 HH TYR 8 HH TYR 8 -5.572 3.044 7.449
74 H ARG 9 H ARG 9 -3.514 9.799 4.817
75 HA ARG 9 HA ARG 9 -2.729 11.760 3.096
76 1HB ARG 9 2HB ARG 9 -3.015 13.340 5.094
77 2HB ARG 9 1HB ARG 9 -4.386 12.337 4.645
78 1HG ARG 9 2HG ARG 9 -4.330 11.160 6.563
79 2HG ARG 9 1HG ARG 9 -2.567 11.182 6.651
80 1HD ARG 9 2HD ARG 9 -4.124 13.696 7.098
81 2HD ARG 9 1HD ARG 9 -3.970 12.512 8.396
82 HE ARG 9 HE ARG 9 -1.911 14.245 7.364
83 1HH1 ARG 9 1HH1 ARG 9 -2.590 11.316 9.137
84 2HH1 ARG 9 2HH1 ARG 9 -1.066 11.313 9.959
85 1HH2 ARG 9 1HH2 ARG 9 0.094 14.240 8.444
86 2HH2 ARG 9 2HH2 ARG 9 0.456 12.972 9.566
87 H GLY 10 H GLY 10 -0.882 10.468 5.795
88 1HA GLY 10 2HA GLY 10 1.147 12.499 5.668
89 2HA GLY 10 1HA GLY 10 1.221 11.006 6.592
90 H ILE 11 H ILE 11 1.003 9.076 4.712
91 HA ILE 11 HA ILE 11 2.873 9.599 2.559
92 HB ILE 11 HB ILE 11 4.686 8.489 3.303
93 1HG1 ILE 11 2HG1 ILE 11 2.755 6.555 4.571
94 2HG1 ILE 11 1HG1 ILE 11 3.844 6.278 3.219
95 1HG2 ILE 11 1HG2 ILE 11 3.311 8.815 5.968
96 2HG2 ILE 11 2HG2 ILE 11 4.244 10.051 5.122
97 3HG2 ILE 11 3HG2 ILE 11 5.045 8.597 5.718
98 1HD1 ILE 11 1HD1 ILE 11 4.717 5.119 5.086
99 2HD1 ILE 11 2HD1 ILE 11 4.546 6.534 6.127
100 3HD1 ILE 11 3HD1 ILE 11 5.745 6.532 4.832
101 H CYS 12 H CYS 12 3.305 7.385 1.378
102 HA CYS 12 HA CYS 12 0.672 6.169 1.036
103 1HB CYS 12 2HB CYS 12 2.519 7.066 -0.803
104 2HB CYS 12 1HB CYS 12 2.763 5.322 -0.827
105 H TYR 13 H TYR 13 0.682 4.808 2.845
106 HA TYR 13 HA TYR 13 2.749 2.950 3.399
107 1HB TYR 13 2HB TYR 13 -0.021 3.433 4.353
108 2HB TYR 13 1HB TYR 13 0.629 1.817 4.607
109 HD1 TYR 13 1HD TYR 13 2.031 1.390 6.423
110 HD2 TYR 13 2HD TYR 13 1.386 5.412 5.198
111 HE1 TYR 13 1HE TYR 13 3.245 2.182 8.406
112 HE2 TYR 13 2HE TYR 13 2.597 6.215 7.177
113 HH TYR 13 HH TYR 13 3.149 5.361 9.475
114 H ARG 14 H ARG 14 3.315 1.454 1.921
115 HA ARG 14 HA ARG 14 1.617 -0.696 1.307
116 1HB ARG 14 2HB ARG 14 0.439 0.149 -0.403
117 2HB ARG 14 1HB ARG 14 1.453 1.579 -0.492
118 1HG ARG 14 2HG ARG 14 1.553 0.516 -2.602
119 2HG ARG 14 1HG ARG 14 3.099 0.214 -1.810
120 1HD ARG 14 2HD ARG 14 2.798 -1.981 -1.976
121 2HD ARG 14 1HD ARG 14 1.256 -1.868 -1.130
122 HE ARG 14 HE ARG 14 1.133 -1.128 -3.911
123 1HH1 ARG 14 1HH1 ARG 14 0.924 -3.756 -1.622
124 2HH1 ARG 14 2HH1 ARG 14 -0.011 -4.763 -2.675
125 1HH2 ARG 14 1HH2 ARG 14 -0.095 -2.453 -5.295
126 2HH2 ARG 14 2HH2 ARG 14 -0.589 -4.024 -4.761
127 H ARG 15 H ARG 15 2.705 -2.404 0.348
128 HA ARG 15 HA ARG 15 4.468 -3.676 -0.308
129 1HB ARG 15 2HB ARG 15 4.687 -1.386 -1.835
130 2HB ARG 15 1HB ARG 15 6.280 -1.522 -1.103
131 1HG ARG 15 2HG ARG 15 6.488 -2.690 -3.094
132 2HG ARG 15 1HG ARG 15 6.220 -3.960 -1.900
133 1HD ARG 15 2HD ARG 15 4.021 -2.737 -3.556
134 2HD ARG 15 1HD ARG 15 4.905 -4.186 -4.032
135 HE ARG 15 HE ARG 15 2.862 -3.981 -2.019
136 1HH1 ARG 15 1HH1 ARG 15 5.618 -5.816 -3.122
137 2HH1 ARG 15 2HH1 ARG 15 5.113 -7.278 -2.342
138 1HH2 ARG 15 1HH2 ARG 15 2.197 -5.901 -0.992
139 2HH2 ARG 15 2HH2 ARG 15 3.172 -7.327 -1.133
140 H CYS 16 H CYS 16 4.295 -2.843 2.371
141 HA CYS 16 HA CYS 16 5.489 -2.894 4.304
142 1HB CYS 16 2HB CYS 16 7.529 -3.991 2.381
143 2HB CYS 16 1HB CYS 16 7.895 -3.779 4.089
144 H ARG 17 H ARG 17 6.460 -1.397 5.534
145 HA ARG 17 HA ARG 17 7.485 0.542 6.130
146 1HB ARG 17 2HB ARG 17 9.241 0.235 3.702
147 2HB ARG 17 1HB ARG 17 9.629 1.004 5.234
148 1HG ARG 17 2HG ARG 17 9.224 -1.944 4.770
149 2HG ARG 17 1HG ARG 17 10.763 -1.122 5.038
150 1HD ARG 17 2HD ARG 17 8.477 -1.367 6.986
151 2HD ARG 17 1HD ARG 17 10.037 -2.176 7.085
152 HE ARG 17 HE ARG 17 11.038 0.028 7.429
153 1HH1 ARG 17 1HH1 ARG 17 7.588 -0.262 7.950
154 2HH1 ARG 17 2HH1 ARG 17 7.514 1.109 9.003
155 1HH2 ARG 17 1HH2 ARG 17 10.926 1.825 8.813
156 2HH2 ARG 17 2HH2 ARG 17 9.403 2.291 9.491
Start of MODEL 14
1 1H LYS 1 1HT LYS 1 -10.640 -8.231 -1.225
2 2H LYS 1 2HT LYS 1 -11.271 -8.269 -2.821
3 3H LYS 1 3HT LYS 1 -12.204 -7.607 -1.544
4 HA LYS 1 HA LYS 1 -9.815 -6.531 -2.849
5 1HB LYS 1 2HB LYS 1 -12.465 -5.267 -2.132
6 2HB LYS 1 1HB LYS 1 -11.244 -4.641 -3.231
7 1HG LYS 1 2HG LYS 1 -12.880 -7.130 -3.671
8 2HG LYS 1 1HG LYS 1 -13.168 -5.559 -4.421
9 1HD LYS 1 2HD LYS 1 -10.551 -5.961 -5.030
10 2HD LYS 1 1HD LYS 1 -11.161 -7.617 -5.042
11 1HE LYS 1 2HE LYS 1 -12.477 -7.264 -6.858
12 2HE LYS 1 1HE LYS 1 -12.809 -5.588 -6.425
13 1HZ LYS 1 1HZ LYS 1 -11.471 -5.309 -8.233
14 2HZ LYS 1 2HZ LYS 1 -10.562 -6.706 -7.940
15 3HZ LYS 1 3HZ LYS 1 -10.292 -5.315 -7.018
16 H TRP 2 H TRP 2 -9.976 -3.998 -1.828
17 HA TRP 2 HA TRP 2 -9.252 -2.692 -0.114
18 1HB TRP 2 2HB TRP 2 -11.391 -3.308 0.918
19 2HB TRP 2 1HB TRP 2 -10.658 -4.759 1.593
20 HD1 TRP 2 HD TRP 2 -10.416 -4.395 4.110
21 HE1 TRP 2 1HE TRP 2 -9.591 -2.490 5.631
22 HE3 TRP 2 3HE TRP 2 -9.538 -0.833 0.548
23 HZ2 TRP 2 2HZ TRP 2 -8.687 0.170 5.357
24 HZ3 TRP 2 3HZ TRP 2 -8.695 1.364 1.262
25 HH2 TRP 2 HH TRP 2 -8.278 1.856 3.617
26 H CYS 3 H CYS 3 -7.237 -4.004 -1.063
27 HA CYS 3 HA CYS 3 -5.500 -4.389 1.155
28 1HB CYS 3 2HB CYS 3 -6.872 -6.644 0.678
29 2HB CYS 3 1HB CYS 3 -5.574 -6.861 -0.492
30 H PHE 4 H PHE 4 -5.064 -2.560 -0.560
31 HA PHE 4 HA PHE 4 -2.887 -3.567 -2.244
32 1HB PHE 4 2HB PHE 4 -4.709 -1.399 -3.261
33 2HB PHE 4 1HB PHE 4 -3.557 -2.379 -4.163
34 HD1 PHE 4 1HD PHE 4 -6.938 -2.094 -2.957
35 HD2 PHE 4 2HD PHE 4 -4.077 -4.776 -4.610
36 HE1 PHE 4 1HE PHE 4 -8.751 -3.638 -3.576
37 HE2 PHE 4 2HE PHE 4 -5.884 -6.324 -5.234
38 HZ PHE 4 HZ PHE 4 -8.224 -5.757 -4.718
39 H ARG 5 H ARG 5 -2.071 -2.664 -0.020
40 HA ARG 5 HA ARG 5 -0.747 -1.136 1.022
41 1HB ARG 5 2HB ARG 5 -0.619 -0.357 -1.821
42 2HB ARG 5 1HB ARG 5 -0.183 0.911 -0.682
43 1HG ARG 5 2HG ARG 5 1.855 0.034 -0.682
44 2HG ARG 5 1HG ARG 5 1.177 -1.293 0.264
45 1HD ARG 5 2HD ARG 5 0.507 -2.086 -2.223
46 2HD ARG 5 1HD ARG 5 1.989 -1.197 -2.572
47 HE ARG 5 HE ARG 5 3.190 -2.850 -1.532
48 1HH1 ARG 5 1HH1 ARG 5 -0.188 -3.230 -0.743
49 2HH1 ARG 5 2HH1 ARG 5 0.037 -4.768 0.021
50 1HH2 ARG 5 1HH2 ARG 5 3.486 -4.871 -0.530
51 2HH2 ARG 5 2HH2 ARG 5 2.122 -5.699 0.142
52 H VAL 6 H VAL 6 -1.289 0.360 2.480
53 HA VAL 6 HA VAL 6 -3.751 1.857 2.076
54 HB VAL 6 HB VAL 6 -3.422 0.653 4.198
55 1HG1 VAL 6 1HG1 VAL 6 -0.841 1.485 4.075
56 2HG1 VAL 6 2HG1 VAL 6 -1.622 0.851 5.525
57 3HG1 VAL 6 3HG1 VAL 6 -1.504 2.593 5.276
58 1HG2 VAL 6 1HG2 VAL 6 -3.946 3.535 4.001
59 2HG2 VAL 6 2HG2 VAL 6 -3.573 2.960 5.627
60 3HG2 VAL 6 3HG2 VAL 6 -4.911 2.249 4.726
61 H CYS 7 H CYS 7 -3.857 3.977 1.663
62 HA CYS 7 HA CYS 7 -1.340 5.489 1.665
63 1HB CYS 7 2HB CYS 7 -3.546 5.302 -0.210
64 2HB CYS 7 1HB CYS 7 -3.214 6.973 0.235
65 H TYR 8 H TYR 8 -1.134 6.594 3.492
66 HA TYR 8 HA TYR 8 -3.460 7.724 4.817
67 1HB TYR 8 2HB TYR 8 -0.666 7.127 5.553
68 2HB TYR 8 1HB TYR 8 -1.328 8.586 6.282
69 HD1 TYR 8 1HD TYR 8 -1.615 7.979 8.524
70 HD2 TYR 8 2HD TYR 8 -3.094 5.413 5.470
71 HE1 TYR 8 1HE TYR 8 -2.747 6.615 10.227
72 HE2 TYR 8 2HE TYR 8 -4.230 4.041 7.165
73 HH TYR 8 HH TYR 8 -3.949 3.557 9.636
74 H ARG 9 H ARG 9 -3.204 10.011 5.696
75 HA ARG 9 HA ARG 9 -2.916 11.780 3.481
76 1HB ARG 9 2HB ARG 9 -3.559 13.534 5.044
77 2HB ARG 9 1HB ARG 9 -4.599 12.130 5.240
78 1HG ARG 9 2HG ARG 9 -2.590 11.655 7.050
79 2HG ARG 9 1HG ARG 9 -2.798 13.405 7.136
80 1HD ARG 9 2HD ARG 9 -4.573 13.079 8.431
81 2HD ARG 9 1HD ARG 9 -5.386 12.317 7.065
82 HE ARG 9 HE ARG 9 -5.190 10.343 8.170
83 1HH1 ARG 9 1HH1 ARG 9 -2.641 12.449 9.282
84 2HH1 ARG 9 2HH1 ARG 9 -2.034 11.313 10.439
85 1HH2 ARG 9 1HH2 ARG 9 -4.394 8.845 9.692
86 2HH2 ARG 9 2HH2 ARG 9 -3.029 9.267 10.672
87 H GLY 10 H GLY 10 -0.553 10.948 3.259
88 1HA GLY 10 2HA GLY 10 1.215 12.997 3.485
89 2HA GLY 10 1HA GLY 10 1.362 12.178 5.032
90 H ILE 11 H ILE 11 0.767 9.553 3.720
91 HA ILE 11 HA ILE 11 2.794 9.042 1.797
92 HB ILE 11 HB ILE 11 4.246 9.412 3.739
93 1HG1 ILE 11 2HG1 ILE 11 4.569 7.546 1.912
94 2HG1 ILE 11 1HG1 ILE 11 5.663 7.647 3.284
95 1HG2 ILE 11 1HG2 ILE 11 2.834 7.067 4.997
96 2HG2 ILE 11 2HG2 ILE 11 2.618 8.754 5.462
97 3HG2 ILE 11 3HG2 ILE 11 4.185 7.974 5.675
98 1HD1 ILE 11 1HD1 ILE 11 4.470 5.386 2.461
99 2HD1 ILE 11 2HD1 ILE 11 3.308 5.932 3.669
100 3HD1 ILE 11 3HD1 ILE 11 4.993 5.675 4.120
101 H CYS 12 H CYS 12 2.872 6.801 1.166
102 HA CYS 12 HA CYS 12 0.423 5.384 1.907
103 1HB CYS 12 2HB CYS 12 1.457 5.935 -0.558
104 2HB CYS 12 1HB CYS 12 2.047 4.299 -0.294
105 H TYR 13 H TYR 13 0.727 4.086 3.596
106 HA TYR 13 HA TYR 13 3.212 2.808 4.170
107 1HB TYR 13 2HB TYR 13 0.477 2.797 5.361
108 2HB TYR 13 1HB TYR 13 1.571 1.490 5.791
109 HD1 TYR 13 1HD TYR 13 3.251 4.578 5.082
110 HD2 TYR 13 2HD TYR 13 1.213 2.421 8.128
111 HE1 TYR 13 1HE TYR 13 4.285 6.017 6.783
112 HE2 TYR 13 2HE TYR 13 2.242 3.853 9.837
113 HH TYR 13 HH TYR 13 3.445 6.668 9.401
114 H ARG 14 H ARG 14 3.578 0.519 4.302
115 HA ARG 14 HA ARG 14 2.520 -0.872 1.993
116 1HB ARG 14 2HB ARG 14 4.513 -1.936 3.989
117 2HB ARG 14 1HB ARG 14 4.280 -2.440 2.322
118 1HG ARG 14 2HG ARG 14 5.420 -0.649 1.470
119 2HG ARG 14 1HG ARG 14 5.067 0.378 2.860
120 1HD ARG 14 2HD ARG 14 7.466 -0.446 2.581
121 2HD ARG 14 1HD ARG 14 6.727 -0.626 4.168
122 HE ARG 14 HE ARG 14 7.343 -2.763 2.270
123 1HH1 ARG 14 1HH1 ARG 14 6.036 -1.812 5.371
124 2HH1 ARG 14 2HH1 ARG 14 6.104 -3.413 6.025
125 1HH2 ARG 14 1HH2 ARG 14 7.424 -4.863 3.134
126 2HH2 ARG 14 2HH2 ARG 14 6.889 -5.143 4.758
127 H ARG 15 H ARG 15 2.826 -3.537 3.009
128 HA ARG 15 HA ARG 15 1.771 -5.174 4.184
129 1HB ARG 15 2HB ARG 15 0.301 -3.056 5.742
130 2HB ARG 15 1HB ARG 15 0.536 -4.740 6.182
131 1HG ARG 15 2HG ARG 15 2.638 -2.590 6.051
132 2HG ARG 15 1HG ARG 15 1.993 -3.368 7.498
133 1HD ARG 15 2HD ARG 15 3.738 -4.558 5.358
134 2HD ARG 15 1HD ARG 15 4.079 -4.395 7.079
135 HE ARG 15 HE ARG 15 2.571 -6.481 5.795
136 1HH1 ARG 15 1HH1 ARG 15 3.128 -4.778 8.791
137 2HH1 ARG 15 2HH1 ARG 15 2.565 -6.083 9.782
138 1HH2 ARG 15 1HH2 ARG 15 1.829 -8.196 7.097
139 2HH2 ARG 15 2HH2 ARG 15 1.827 -8.023 8.819
140 H CYS 16 H CYS 16 -0.888 -2.899 4.457
141 HA CYS 16 HA CYS 16 -2.228 -3.366 2.095
142 1HB CYS 16 2HB CYS 16 -2.241 -5.687 3.780
143 2HB CYS 16 1HB CYS 16 -3.881 -5.063 3.658
144 H ARG 17 H ARG 17 -4.874 -3.558 2.847
145 HA ARG 17 HA ARG 17 -6.617 -2.357 3.674
146 1HB ARG 17 2HB ARG 17 -4.819 -1.438 5.908
147 2HB ARG 17 1HB ARG 17 -6.566 -1.626 5.929
148 1HG ARG 17 2HG ARG 17 -4.557 -3.862 5.750
149 2HG ARG 17 1HG ARG 17 -5.461 -3.389 7.191
150 1HD ARG 17 2HD ARG 17 -7.042 -3.971 4.760
151 2HD ARG 17 1HD ARG 17 -6.248 -5.343 5.531
152 HE ARG 17 HE ARG 17 -8.560 -4.012 6.449
153 1HH1 ARG 17 1HH1 ARG 17 -5.608 -5.454 7.623
154 2HH1 ARG 17 2HH1 ARG 17 -6.273 -5.853 9.173
155 1HH2 ARG 17 1HH2 ARG 17 -9.435 -4.534 8.486
156 2HH2 ARG 17 2HH2 ARG 17 -8.445 -5.330 9.662
Start of MODEL 15
1 1H LYS 1 1HT LYS 1 -9.975 -3.263 5.274
2 2H LYS 1 2HT LYS 1 -10.031 -2.321 3.842
3 3H LYS 1 3HT LYS 1 -8.655 -3.282 4.184
4 HA LYS 1 HA LYS 1 -10.356 -5.186 4.225
5 1HB LYS 1 2HB LYS 1 -11.664 -3.254 2.312
6 2HB LYS 1 1HB LYS 1 -12.252 -4.833 2.814
7 1HG LYS 1 2HG LYS 1 -13.380 -3.919 4.482
8 2HG LYS 1 1HG LYS 1 -11.903 -3.202 5.128
9 1HD LYS 1 2HD LYS 1 -13.521 -1.460 4.696
10 2HD LYS 1 1HD LYS 1 -12.180 -1.310 3.558
11 1HE LYS 1 2HE LYS 1 -14.251 -3.024 2.505
12 2HE LYS 1 1HE LYS 1 -14.903 -1.450 2.957
13 1HZ LYS 1 1HZ LYS 1 -13.415 -0.360 1.522
14 2HZ LYS 1 2HZ LYS 1 -14.024 -1.661 0.626
15 3HZ LYS 1 3HZ LYS 1 -12.472 -1.746 1.293
16 H TRP 2 H TRP 2 -7.774 -4.595 3.336
17 HA TRP 2 HA TRP 2 -7.558 -6.182 1.058
18 1HB TRP 2 2HB TRP 2 -7.138 -4.733 -0.732
19 2HB TRP 2 1HB TRP 2 -8.524 -3.999 0.062
20 HD1 TRP 2 HD TRP 2 -5.198 -3.146 -1.246
21 HE1 TRP 2 1HE TRP 2 -4.469 -0.808 -0.444
22 HE3 TRP 2 3HE TRP 2 -8.682 -2.424 2.413
23 HZ2 TRP 2 2HZ TRP 2 -5.271 1.086 1.491
24 HZ3 TRP 2 3HZ TRP 2 -8.636 -0.331 3.700
25 HH2 TRP 2 HH TRP 2 -6.964 1.392 3.245
26 H CYS 3 H CYS 3 -5.565 -7.012 1.035
27 HA CYS 3 HA CYS 3 -3.520 -5.686 2.661
28 1HB CYS 3 2HB CYS 3 -3.951 -8.533 1.802
29 2HB CYS 3 1HB CYS 3 -2.379 -7.997 2.384
30 H PHE 4 H PHE 4 -3.017 -4.146 0.987
31 HA PHE 4 HA PHE 4 -1.077 -5.218 -0.907
32 1HB PHE 4 2HB PHE 4 -3.546 -4.645 -1.834
33 2HB PHE 4 1HB PHE 4 -2.783 -3.068 -1.996
34 HD1 PHE 4 1HD PHE 4 -3.732 -5.489 -3.974
35 HD2 PHE 4 2HD PHE 4 -0.048 -3.754 -2.732
36 HE1 PHE 4 1HE PHE 4 -2.684 -6.219 -6.078
37 HE2 PHE 4 2HE PHE 4 1.006 -4.481 -4.833
38 HZ PHE 4 HZ PHE 4 -0.311 -5.714 -6.510
39 H ARG 5 H ARG 5 -2.596 -2.102 -0.289
40 HA ARG 5 HA ARG 5 -0.442 -0.955 1.096
41 1HB ARG 5 2HB ARG 5 0.280 -1.266 -1.475
42 2HB ARG 5 1HB ARG 5 -0.534 0.286 -1.597
43 1HG ARG 5 2HG ARG 5 1.614 -0.253 0.428
44 2HG ARG 5 1HG ARG 5 1.958 0.342 -1.198
45 1HD ARG 5 2HD ARG 5 -0.136 1.810 0.242
46 2HD ARG 5 1HD ARG 5 1.469 1.919 0.958
47 HE ARG 5 HE ARG 5 2.227 3.044 -0.938
48 1HH1 ARG 5 1HH1 ARG 5 -1.125 2.111 -1.291
49 2HH1 ARG 5 2HH1 ARG 5 -1.394 3.145 -2.651
50 1HH2 ARG 5 1HH2 ARG 5 1.866 4.399 -2.727
51 2HH2 ARG 5 2HH2 ARG 5 0.300 4.442 -3.467
52 H VAL 6 H VAL 6 -1.182 0.805 2.128
53 HA VAL 6 HA VAL 6 -3.613 2.090 1.064
54 HB VAL 6 HB VAL 6 -4.040 0.801 3.122
55 1HG1 VAL 6 1HG1 VAL 6 -1.624 1.405 3.972
56 2HG1 VAL 6 2HG1 VAL 6 -2.937 1.093 5.107
57 3HG1 VAL 6 3HG1 VAL 6 -2.471 2.752 4.732
58 1HG2 VAL 6 1HG2 VAL 6 -5.393 2.400 4.129
59 2HG2 VAL 6 2HG2 VAL 6 -5.162 3.042 2.501
60 3HG2 VAL 6 3HG2 VAL 6 -4.233 3.700 3.850
61 H CYS 7 H CYS 7 -3.921 4.348 1.636
62 HA CYS 7 HA CYS 7 -1.366 5.772 1.998
63 1HB CYS 7 2HB CYS 7 -3.698 6.348 0.188
64 2HB CYS 7 1HB CYS 7 -2.593 7.629 0.675
65 H TYR 8 H TYR 8 -1.256 7.202 3.624
66 HA TYR 8 HA TYR 8 -3.761 8.179 4.807
67 1HB TYR 8 2HB TYR 8 -1.495 6.787 6.204
68 2HB TYR 8 1HB TYR 8 -2.506 7.939 7.068
69 HD1 TYR 8 1HD TYR 8 -2.053 4.701 7.069
70 HD2 TYR 8 2HD TYR 8 -5.167 7.378 5.957
71 HE1 TYR 8 1HE TYR 8 -3.711 2.931 7.472
72 HE2 TYR 8 2HE TYR 8 -6.833 5.616 6.359
73 HH TYR 8 HH TYR 8 -6.479 3.111 8.106
74 H ARG 9 H ARG 9 -3.788 10.303 5.033
75 HA ARG 9 HA ARG 9 -3.141 12.476 5.136
76 1HB ARG 9 2HB ARG 9 -1.260 11.024 6.823
77 2HB ARG 9 1HB ARG 9 -0.563 12.499 6.167
78 1HG ARG 9 2HG ARG 9 -1.483 13.268 8.114
79 2HG ARG 9 1HG ARG 9 -2.797 13.575 6.977
80 1HD ARG 9 2HD ARG 9 -4.150 12.074 7.953
81 2HD ARG 9 1HD ARG 9 -2.850 10.905 8.177
82 HE ARG 9 HE ARG 9 -3.795 12.842 10.081
83 1HH1 ARG 9 1HH1 ARG 9 -1.097 10.845 9.123
84 2HH1 ARG 9 2HH1 ARG 9 -0.394 10.820 10.705
85 1HH2 ARG 9 1HH2 ARG 9 -2.869 12.809 12.162
86 2HH2 ARG 9 2HH2 ARG 9 -1.399 11.935 12.431
87 H GLY 10 H GLY 10 0.162 11.267 4.746
88 1HA GLY 10 2HA GLY 10 0.154 12.317 1.990
89 2HA GLY 10 1HA GLY 10 1.412 12.784 3.122
90 H ILE 11 H ILE 11 1.546 10.100 4.327
91 HA ILE 11 HA ILE 11 3.187 8.866 2.243
92 HB ILE 11 HB ILE 11 4.251 9.306 4.415
93 1HG1 ILE 11 2HG1 ILE 11 5.193 7.049 4.768
94 2HG1 ILE 11 1HG1 ILE 11 3.888 6.363 3.806
95 1HG2 ILE 11 1HG2 ILE 11 2.424 9.117 5.926
96 2HG2 ILE 11 2HG2 ILE 11 3.591 7.867 6.358
97 3HG2 ILE 11 3HG2 ILE 11 2.133 7.441 5.460
98 1HD1 ILE 11 1HD1 ILE 11 6.386 7.328 2.937
99 2HD1 ILE 11 2HD1 ILE 11 5.153 8.414 2.296
100 3HD1 ILE 11 3HD1 ILE 11 5.063 6.684 1.966
101 H CYS 12 H CYS 12 3.076 6.617 1.801
102 HA CYS 12 HA CYS 12 0.519 5.357 2.553
103 1HB CYS 12 2HB CYS 12 1.920 5.027 -0.105
104 2HB CYS 12 1HB CYS 12 0.336 4.406 0.346
105 H TYR 13 H TYR 13 0.768 3.529 3.639
106 HA TYR 13 HA TYR 13 3.294 2.046 3.340
107 1HB TYR 13 2HB TYR 13 1.649 2.759 5.669
108 2HB TYR 13 1HB TYR 13 2.165 1.076 5.643
109 HD1 TYR 13 1HD TYR 13 3.772 4.342 4.764
110 HD2 TYR 13 2HD TYR 13 4.010 0.712 6.970
111 HE1 TYR 13 1HE TYR 13 5.974 5.016 5.624
112 HE2 TYR 13 2HE TYR 13 6.212 1.376 7.836
113 HH TYR 13 HH TYR 13 7.345 4.240 7.983
114 H ARG 14 H ARG 14 3.004 -0.359 3.938
115 HA ARG 14 HA ARG 14 1.334 -1.541 2.012
116 1HB ARG 14 2HB ARG 14 2.752 -2.740 4.394
117 2HB ARG 14 1HB ARG 14 1.937 -3.691 3.160
118 1HG ARG 14 2HG ARG 14 4.097 -3.759 2.413
119 2HG ARG 14 1HG ARG 14 3.482 -2.362 1.527
120 1HD ARG 14 2HD ARG 14 4.545 -1.692 4.162
121 2HD ARG 14 1HD ARG 14 5.743 -2.410 3.085
122 HE ARG 14 HE ARG 14 4.569 -0.534 1.535
123 1HH1 ARG 14 1HH1 ARG 14 6.010 -0.438 4.711
124 2HH1 ARG 14 2HH1 ARG 14 6.525 1.207 4.565
125 1HH2 ARG 14 1HH2 ARG 14 5.246 1.632 1.341
126 2HH2 ARG 14 2HH2 ARG 14 6.090 2.384 2.651
127 H ARG 15 H ARG 15 1.142 -2.059 5.534
128 HA ARG 15 HA ARG 15 -0.617 -2.445 6.922
129 1HB ARG 15 2HB ARG 15 -1.546 -0.412 5.036
130 2HB ARG 15 1HB ARG 15 -2.859 -1.353 5.729
131 1HG ARG 15 2HG ARG 15 -2.352 0.705 6.990
132 2HG ARG 15 1HG ARG 15 -2.184 -0.763 7.955
133 1HD ARG 15 2HD ARG 15 0.116 -0.610 8.032
134 2HD ARG 15 1HD ARG 15 0.205 0.351 6.558
135 HE ARG 15 HE ARG 15 -0.157 1.316 9.244
136 1HH1 ARG 15 1HH1 ARG 15 -0.606 2.023 5.856
137 2HH1 ARG 15 2HH1 ARG 15 -0.633 3.738 6.088
138 1HH2 ARG 15 1HH2 ARG 15 -0.196 3.574 9.552
139 2HH2 ARG 15 2HH2 ARG 15 -0.400 4.619 8.187
140 H CYS 16 H CYS 16 -3.200 -3.095 6.666
141 HA CYS 16 HA CYS 16 -3.600 -5.000 4.532
142 1HB CYS 16 2HB CYS 16 -2.527 -5.828 7.086
143 2HB CYS 16 1HB CYS 16 -4.095 -6.576 6.808
144 H ARG 17 H ARG 17 -5.636 -6.500 5.645
145 HA ARG 17 HA ARG 17 -7.899 -5.040 5.273
146 1HB ARG 17 2HB ARG 17 -7.267 -7.557 6.673
147 2HB ARG 17 1HB ARG 17 -8.783 -6.809 7.152
148 1HG ARG 17 2HG ARG 17 -9.160 -8.415 5.392
149 2HG ARG 17 1HG ARG 17 -9.502 -6.787 4.810
150 1HD ARG 17 2HD ARG 17 -7.150 -6.766 3.879
151 2HD ARG 17 1HD ARG 17 -7.090 -8.490 4.240
152 HE ARG 17 HE ARG 17 -9.349 -7.662 2.642
153 1HH1 ARG 17 1HH1 ARG 17 -6.054 -8.820 2.617
154 2HH1 ARG 17 2HH1 ARG 17 -6.159 -9.454 1.011
155 1HH2 ARG 17 1HH2 ARG 17 -9.485 -8.494 0.529
156 2HH2 ARG 17 2HH2 ARG 17 -8.105 -9.268 -0.176
Start of MODEL 16
1 1H LYS 1 1HT LYS 1 3.855 5.496 13.431
2 2H LYS 1 2HT LYS 1 2.613 4.483 14.044
3 3H LYS 1 3HT LYS 1 2.403 6.185 14.027
4 HA LYS 1 HA LYS 1 1.229 4.889 12.278
5 1HB LYS 1 2HB LYS 1 2.255 7.412 12.393
6 2HB LYS 1 1HB LYS 1 2.991 6.821 10.909
7 1HG LYS 1 2HG LYS 1 0.454 6.041 10.500
8 2HG LYS 1 1HG LYS 1 0.179 7.461 11.511
9 1HD LYS 1 2HD LYS 1 0.165 8.240 9.281
10 2HD LYS 1 1HD LYS 1 1.732 8.707 9.945
11 1HE LYS 1 2HE LYS 1 1.770 7.732 7.620
12 2HE LYS 1 1HE LYS 1 2.845 6.968 8.790
13 1HZ LYS 1 1HZ LYS 1 1.211 5.602 7.220
14 2HZ LYS 1 2HZ LYS 1 0.179 5.825 8.541
15 3HZ LYS 1 3HZ LYS 1 1.672 5.058 8.754
16 H TRP 2 H TRP 2 1.885 2.811 11.761
17 HA TRP 2 HA TRP 2 3.629 2.597 9.478
18 1HB TRP 2 2HB TRP 2 4.744 2.180 12.036
19 2HB TRP 2 1HB TRP 2 4.537 0.582 11.327
20 HD1 TRP 2 HD TRP 2 6.433 3.869 10.792
21 HE1 TRP 2 1HE TRP 2 8.389 3.432 9.177
22 HE3 TRP 2 3HE TRP 2 5.325 -0.941 9.454
23 HZ2 TRP 2 2HZ TRP 2 9.338 1.328 7.551
24 HZ3 TRP 2 3HZ TRP 2 6.808 -2.093 7.865
25 HH2 TRP 2 HH TRP 2 8.771 -0.981 6.932
26 H CYS 3 H CYS 3 0.837 2.107 10.135
27 HA CYS 3 HA CYS 3 0.659 -0.592 9.082
28 1HB CYS 3 2HB CYS 3 0.504 -0.431 11.750
29 2HB CYS 3 1HB CYS 3 -1.171 -0.052 11.364
30 H PHE 4 H PHE 4 -0.013 0.736 7.254
31 HA PHE 4 HA PHE 4 -2.881 1.036 7.207
32 1HB PHE 4 2HB PHE 4 -1.144 3.446 6.636
33 2HB PHE 4 1HB PHE 4 -2.895 3.365 6.484
34 HD1 PHE 4 1HD PHE 4 -0.080 3.571 8.802
35 HD2 PHE 4 2HD PHE 4 -4.316 3.396 8.437
36 HE1 PHE 4 1HE PHE 4 -0.307 4.287 11.146
37 HE2 PHE 4 2HE PHE 4 -4.551 4.113 10.780
38 HZ PHE 4 HZ PHE 4 -2.545 4.560 12.137
39 H ARG 5 H ARG 5 -3.320 -0.126 5.451
40 HA ARG 5 HA ARG 5 -1.605 -0.656 3.323
41 1HB ARG 5 2HB ARG 5 -3.791 -1.828 3.976
42 2HB ARG 5 1HB ARG 5 -4.605 -0.575 3.051
43 1HG ARG 5 2HG ARG 5 -2.873 -1.345 1.197
44 2HG ARG 5 1HG ARG 5 -2.942 -2.843 2.125
45 1HD ARG 5 2HD ARG 5 -4.981 -3.337 1.361
46 2HD ARG 5 1HD ARG 5 -5.574 -1.704 1.664
47 HE ARG 5 HE ARG 5 -3.932 -1.645 -0.601
48 1HH1 ARG 5 1HH1 ARG 5 -7.013 -2.939 0.407
49 2HH1 ARG 5 2HH1 ARG 5 -7.695 -2.890 -1.184
50 1HH2 ARG 5 1HH2 ARG 5 -4.829 -1.578 -2.695
51 2HH2 ARG 5 2HH2 ARG 5 -6.455 -2.117 -2.945
52 H VAL 6 H VAL 6 -1.570 0.105 1.151
53 HA VAL 6 HA VAL 6 -1.273 1.804 -0.341
54 HB VAL 6 HB VAL 6 -3.866 1.170 -0.293
55 1HG1 VAL 6 1HG1 VAL 6 -4.262 4.095 -0.129
56 2HG1 VAL 6 2HG1 VAL 6 -4.067 3.238 1.397
57 3HG1 VAL 6 3HG1 VAL 6 -5.353 2.774 0.285
58 1HG2 VAL 6 1HG2 VAL 6 -2.171 2.318 -2.070
59 2HG2 VAL 6 2HG2 VAL 6 -3.411 3.563 -1.925
60 3HG2 VAL 6 3HG2 VAL 6 -3.858 1.925 -2.402
61 H CYS 7 H CYS 7 -2.270 4.391 -0.538
62 HA CYS 7 HA CYS 7 -0.614 5.736 1.369
63 1HB CYS 7 2HB CYS 7 -2.517 6.907 -0.671
64 2HB CYS 7 1HB CYS 7 -1.250 7.778 0.185
65 H TYR 8 H TYR 8 -1.634 7.880 2.323
66 HA TYR 8 HA TYR 8 -4.257 8.126 3.078
67 1HB TYR 8 2HB TYR 8 -3.025 5.890 4.402
68 2HB TYR 8 1HB TYR 8 -3.442 7.116 5.592
69 HD1 TYR 8 1HD TYR 8 -5.367 6.590 2.486
70 HD2 TYR 8 2HD TYR 8 -5.154 5.843 6.668
71 HE1 TYR 8 1HE TYR 8 -7.694 5.807 2.455
72 HE2 TYR 8 2HE TYR 8 -7.487 5.061 6.651
73 HH TYR 8 HH TYR 8 -9.588 5.597 4.090
74 H ARG 9 H ARG 9 -4.043 10.229 3.277
75 HA ARG 9 HA ARG 9 -2.619 12.161 3.673
76 1HB ARG 9 2HB ARG 9 -3.756 12.507 6.213
77 2HB ARG 9 1HB ARG 9 -4.378 13.075 4.674
78 1HG ARG 9 2HG ARG 9 -6.114 11.894 5.806
79 2HG ARG 9 1HG ARG 9 -5.592 10.923 4.430
80 1HD ARG 9 2HD ARG 9 -5.954 9.880 6.844
81 2HD ARG 9 1HD ARG 9 -4.716 9.286 5.741
82 HE ARG 9 HE ARG 9 -3.091 10.149 7.128
83 1HH1 ARG 9 1HH1 ARG 9 -6.228 11.292 8.151
84 2HH1 ARG 9 2HH1 ARG 9 -5.644 11.921 9.653
85 1HH2 ARG 9 1HH2 ARG 9 -2.326 10.977 9.104
86 2HH2 ARG 9 2HH2 ARG 9 -3.430 11.745 10.195
87 H GLY 10 H GLY 10 -0.492 10.897 3.937
88 1HA GLY 10 2HA GLY 10 0.964 11.930 6.016
89 2HA GLY 10 1HA GLY 10 0.423 10.351 6.572
90 H ILE 11 H ILE 11 0.561 8.796 4.372
91 HA ILE 11 HA ILE 11 3.131 9.141 3.080
92 HB ILE 11 HB ILE 11 4.239 7.260 3.955
93 1HG1 ILE 11 2HG1 ILE 11 1.628 6.542 5.315
94 2HG1 ILE 11 1HG1 ILE 11 2.408 5.662 4.004
95 1HG2 ILE 11 1HG2 ILE 11 4.328 9.176 5.426
96 2HG2 ILE 11 2HG2 ILE 11 4.312 7.693 6.379
97 3HG2 ILE 11 3HG2 ILE 11 2.843 8.662 6.228
98 1HD1 ILE 11 1HD1 ILE 11 2.900 4.414 5.896
99 2HD1 ILE 11 2HD1 ILE 11 3.203 5.845 6.881
100 3HD1 ILE 11 3HD1 ILE 11 4.360 5.367 5.639
101 H CYS 12 H CYS 12 3.618 6.692 2.111
102 HA CYS 12 HA CYS 12 1.152 5.678 0.912
103 1HB CYS 12 2HB CYS 12 3.457 6.914 -0.547
104 2HB CYS 12 1HB CYS 12 2.564 5.599 -1.301
105 H TYR 13 H TYR 13 1.312 3.720 1.936
106 HA TYR 13 HA TYR 13 3.513 2.008 1.042
107 1HB TYR 13 2HB TYR 13 2.808 2.646 3.879
108 2HB TYR 13 1HB TYR 13 3.425 1.045 3.483
109 HD1 TYR 13 1HD TYR 13 4.233 4.590 3.781
110 HD2 TYR 13 2HD TYR 13 5.707 0.764 2.646
111 HE1 TYR 13 1HE TYR 13 6.528 5.466 3.833
112 HE2 TYR 13 2HE TYR 13 8.006 1.628 2.695
113 HH TYR 13 HH TYR 13 8.998 4.138 4.206
114 H ARG 14 H ARG 14 3.030 -0.337 1.948
115 HA ARG 14 HA ARG 14 0.154 -0.892 1.767
116 1HB ARG 14 2HB ARG 14 2.191 -2.524 0.259
117 2HB ARG 14 1HB ARG 14 0.440 -2.586 0.123
118 1HG ARG 14 2HG ARG 14 1.855 -0.052 -0.543
119 2HG ARG 14 1HG ARG 14 1.882 -1.389 -1.694
120 1HD ARG 14 2HD ARG 14 -0.608 -1.464 -1.546
121 2HD ARG 14 1HD ARG 14 -0.543 -0.002 -0.562
122 HE ARG 14 HE ARG 14 -0.295 -0.173 -3.396
123 1HH1 ARG 14 1HH1 ARG 14 0.758 1.637 -0.605
124 2HH1 ARG 14 2HH1 ARG 14 1.055 3.087 -1.502
125 1HH2 ARG 14 1HH2 ARG 14 0.094 1.734 -4.578
126 2HH2 ARG 14 2HH2 ARG 14 0.677 3.145 -3.757
127 H ARG 15 H ARG 15 -0.331 -3.204 2.352
128 HA ARG 15 HA ARG 15 -0.306 -4.877 3.892
129 1HB ARG 15 2HB ARG 15 2.699 -4.619 3.854
130 2HB ARG 15 1HB ARG 15 1.751 -6.041 4.258
131 1HG ARG 15 2HG ARG 15 1.493 -6.638 2.117
132 2HG ARG 15 1HG ARG 15 1.256 -4.975 1.575
133 1HD ARG 15 2HD ARG 15 3.889 -6.297 2.218
134 2HD ARG 15 1HD ARG 15 3.282 -5.898 0.614
135 HE ARG 15 HE ARG 15 3.637 -3.609 1.075
136 1HH1 ARG 15 1HH1 ARG 15 4.740 -5.683 3.665
137 2HH1 ARG 15 2HH1 ARG 15 5.765 -4.473 4.357
138 1HH2 ARG 15 1HH2 ARG 15 4.983 -2.025 1.994
139 2HH2 ARG 15 2HH2 ARG 15 5.901 -2.400 3.414
140 H CYS 16 H CYS 16 0.390 -5.470 6.151
141 HA CYS 16 HA CYS 16 1.042 -3.071 7.728
142 1HB CYS 16 2HB CYS 16 -1.409 -4.555 7.720
143 2HB CYS 16 1HB CYS 16 -0.629 -4.763 9.284
144 H ARG 17 H ARG 17 1.371 -3.903 10.161
145 HA ARG 17 HA ARG 17 3.769 -5.332 10.179
146 1HB ARG 17 2HB ARG 17 1.805 -4.764 12.402
147 2HB ARG 17 1HB ARG 17 3.388 -5.481 12.663
148 1HG ARG 17 2HG ARG 17 4.505 -3.525 11.993
149 2HG ARG 17 1HG ARG 17 3.039 -2.837 11.288
150 1HD ARG 17 2HD ARG 17 2.049 -2.746 13.558
151 2HD ARG 17 1HD ARG 17 3.582 -3.315 14.216
152 HE ARG 17 HE ARG 17 3.835 -0.955 12.600
153 1HH1 ARG 17 1HH1 ARG 17 3.150 -2.165 15.802
154 2HH1 ARG 17 2HH1 ARG 17 3.614 -0.696 16.593
155 1HH2 ARG 17 1HH2 ARG 17 4.446 0.977 13.638
156 2HH2 ARG 17 2HH2 ARG 17 4.349 1.089 15.364
Start of MODEL 17
1 1H LYS 1 1HT LYS 1 -7.959 -0.814 2.170
2 2H LYS 1 2HT LYS 1 -9.015 0.537 2.239
3 3H LYS 1 3HT LYS 1 -8.423 -0.015 0.726
4 HA LYS 1 HA LYS 1 -10.745 -0.614 1.308
5 1HB LYS 1 2HB LYS 1 -8.928 -1.748 -0.273
6 2HB LYS 1 1HB LYS 1 -9.143 -3.078 0.857
7 1HG LYS 1 2HG LYS 1 -11.523 -1.789 -0.409
8 2HG LYS 1 1HG LYS 1 -10.572 -2.983 -1.296
9 1HD LYS 1 2HD LYS 1 -11.390 -3.663 1.473
10 2HD LYS 1 1HD LYS 1 -12.644 -3.659 0.233
11 1HE LYS 1 2HE LYS 1 -11.827 -5.863 0.278
12 2HE LYS 1 1HE LYS 1 -11.078 -5.120 -1.137
13 1HZ LYS 1 1HZ LYS 1 -9.035 -5.199 -0.208
14 2HZ LYS 1 2HZ LYS 1 -9.709 -6.486 0.659
15 3HZ LYS 1 3HZ LYS 1 -9.599 -4.954 1.368
16 H TRP 2 H TRP 2 -8.425 -2.882 2.683
17 HA TRP 2 HA TRP 2 -10.066 -3.081 5.094
18 1HB TRP 2 2HB TRP 2 -10.833 -4.942 3.809
19 2HB TRP 2 1HB TRP 2 -9.190 -5.393 3.369
20 HD1 TRP 2 HD TRP 2 -8.854 -7.689 4.471
21 HE1 TRP 2 1HE TRP 2 -9.109 -8.637 6.849
22 HE3 TRP 2 3HE TRP 2 -10.996 -3.635 6.738
23 HZ2 TRP 2 2HZ TRP 2 -10.087 -7.782 9.352
24 HZ3 TRP 2 3HZ TRP 2 -11.560 -3.784 9.127
25 HH2 TRP 2 HH TRP 2 -11.115 -5.816 10.407
26 H CYS 3 H CYS 3 -7.431 -5.206 4.225
27 HA CYS 3 HA CYS 3 -5.805 -3.935 6.319
28 1HB CYS 3 2HB CYS 3 -6.496 -6.168 6.978
29 2HB CYS 3 1HB CYS 3 -5.884 -6.834 5.467
30 H PHE 4 H PHE 4 -5.963 -4.763 3.013
31 HA PHE 4 HA PHE 4 -3.268 -5.127 2.372
32 1HB PHE 4 2HB PHE 4 -5.347 -3.752 0.658
33 2HB PHE 4 1HB PHE 4 -3.883 -4.556 0.101
34 HD1 PHE 4 1HD PHE 4 -7.037 -4.969 -0.384
35 HD2 PHE 4 2HD PHE 4 -3.986 -7.025 1.756
36 HE1 PHE 4 1HE PHE 4 -8.291 -7.072 -0.622
37 HE2 PHE 4 2HE PHE 4 -5.236 -9.132 1.521
38 HZ PHE 4 HZ PHE 4 -7.390 -9.157 0.330
39 H ARG 5 H ARG 5 -2.055 -3.468 0.933
40 HA ARG 5 HA ARG 5 -1.285 -1.326 2.547
41 1HB ARG 5 2HB ARG 5 -0.212 -0.472 0.348
42 2HB ARG 5 1HB ARG 5 0.346 -1.989 1.036
43 1HG ARG 5 2HG ARG 5 -0.355 -3.186 -0.716
44 2HG ARG 5 1HG ARG 5 -1.865 -2.282 -0.855
45 1HD ARG 5 2HD ARG 5 0.651 -0.898 -1.611
46 2HD ARG 5 1HD ARG 5 0.051 -2.149 -2.697
47 HE ARG 5 HE ARG 5 -2.054 -0.407 -2.032
48 1HH1 ARG 5 1HH1 ARG 5 0.901 -0.467 -3.885
49 2HH1 ARG 5 2HH1 ARG 5 0.360 0.721 -5.024
50 1HH2 ARG 5 1HH2 ARG 5 -2.767 1.157 -3.527
51 2HH2 ARG 5 2HH2 ARG 5 -1.723 1.643 -4.819