Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
641533 | 6pi3 RC | 30618 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 1HT LYS 1 12.790 -0.073 -4.204
2 H2 LYS 1 2HT LYS 1 13.297 1.262 -3.295
3 H3 LYS 1 3HT LYS 1 11.670 1.011 -3.646
4 HA LYS 1 HA LYS 1 13.210 -0.919 -2.047
5 HB2 LYS 1 2HB LYS 1 11.104 1.063 -1.112
6 HB3 LYS 1 1HB LYS 1 11.927 -0.112 -0.116
7 HG2 LYS 1 2HG LYS 1 13.178 2.295 -1.427
8 HG3 LYS 1 1HG LYS 1 12.739 2.158 0.266
9 HD2 LYS 1 2HD LYS 1 14.848 0.577 -1.203
10 HD3 LYS 1 1HD LYS 1 15.135 1.871 -0.055
11 HE2 LYS 1 2HE LYS 1 13.860 -0.795 0.580
12 HE3 LYS 1 1HE LYS 1 15.515 -0.342 0.942
13 HZ1 LYS 1 1HZ LYS 1 13.090 0.945 2.130
14 HZ2 LYS 1 2HZ LYS 1 14.680 1.377 2.433
15 HZ3 LYS 1 3HZ LYS 1 14.142 -0.141 2.878
16 H TRP 2 HN TRP 2 11.339 -2.134 -0.751
17 HA TRP 2 HA TRP 2 9.595 -3.108 -2.806
18 HB2 TRP 2 2HB TRP 2 10.790 -4.697 -1.358
19 HB3 TRP 2 1HB TRP 2 9.997 -4.010 0.053
20 HD1 TRP 2 1HD TRP 2 8.987 -5.816 -3.215
21 HE1 TRP 2 1HE TRP 2 6.922 -7.310 -2.679
22 HE3 TRP 2 3HE TRP 2 8.262 -4.512 1.649
23 HZ2 TRP 2 2HZ TRP 2 5.263 -7.854 -0.505
24 HZ3 TRP 2 3HZ TRP 2 6.411 -5.576 2.895
25 HH2 TRP 2 2HH TRP 2 4.956 -7.209 1.830
26 H CYS 3 HN CYS 3 7.582 -2.518 -3.025
27 HA CYS 3 HA CYS 3 6.174 -1.228 -0.804
28 HB2 CYS 3 2HB CYS 3 6.093 -0.380 -3.695
29 HB3 CYS 3 1HB CYS 3 5.231 0.379 -2.368
30 H PHE 4 HN PHE 4 4.152 -2.025 -0.580
31 HA PHE 4 HA PHE 4 3.224 -3.815 -2.692
32 HB2 PHE 4 2HB PHE 4 1.833 -4.883 -0.882
33 HB3 PHE 4 1HB PHE 4 3.572 -5.151 -0.756
34 HD1 PHE 4 1HD PHE 4 4.851 -3.915 0.989
35 HD2 PHE 4 2HD PHE 4 0.603 -3.815 0.821
36 HE1 PHE 4 1HE PHE 4 4.781 -3.142 3.316
37 HE2 PHE 4 2HE PHE 4 0.537 -3.036 3.152
38 HZ PHE 4 HZ PHE 4 2.626 -2.705 4.396
39 H ARG 5 HN ARG 5 0.861 -3.939 -2.914
40 HA ARG 5 HA ARG 5 -0.203 -1.225 -2.705
41 HB2 ARG 5 2HB ARG 5 -0.009 -2.228 -4.965
42 HB3 ARG 5 1HB ARG 5 -1.111 -3.500 -4.469
43 HG2 ARG 5 2HG ARG 5 -2.827 -1.741 -4.024
44 HG3 ARG 5 1HG ARG 5 -1.721 -0.565 -4.735
45 HD2 ARG 5 2HD ARG 5 -2.930 -2.972 -6.078
46 HD3 ARG 5 1HD ARG 5 -3.297 -1.285 -6.405
47 HE ARG 5 HE ARG 5 -0.545 -1.760 -6.776
48 HH11 ARG 5 1HH1 ARG 5 -3.657 -2.372 -8.330
49 HH12 ARG 5 2HH1 ARG 5 -2.991 -2.551 -9.887
50 HH21 ARG 5 1HH2 ARG 5 0.362 -2.033 -8.887
51 HH22 ARG 5 2HH2 ARG 5 -0.668 -2.328 -10.214
52 H VAL 6 HN VAL 6 -1.864 -0.854 -1.435
53 HA VAL 6 HA VAL 6 -3.374 -3.146 -0.388
54 HB VAL 6 HB VAL 6 -2.968 -0.439 0.929
55 HG11 VAL 6 1HG1 VAL 6 -3.988 -1.444 2.904
56 HG12 VAL 6 2HG1 VAL 6 -4.212 -2.953 2.032
57 HG13 VAL 6 3HG1 VAL 6 -5.088 -1.507 1.525
58 HG21 VAL 6 1HG2 VAL 6 -1.555 -1.603 2.563
59 HG22 VAL 6 2HG2 VAL 6 -0.880 -1.686 0.934
60 HG23 VAL 6 3HG2 VAL 6 -1.701 -3.086 1.620
61 H CYS 7 HN CYS 7 -5.466 -3.141 -1.026
62 HA CYS 7 HA CYS 7 -6.616 -0.597 -1.876
63 HB2 CYS 7 2HB CYS 7 -7.315 -3.438 -2.668
64 HB3 CYS 7 1HB CYS 7 -8.287 -2.035 -3.096
65 H TYR 8 HN TYR 8 -7.731 0.273 -0.393
66 HA TYR 8 HA TYR 8 -9.182 -1.427 1.522
67 HB2 TYR 8 2HB TYR 8 -6.970 -0.361 2.276
68 HB3 TYR 8 1HB TYR 8 -7.803 1.174 2.156
69 HD1 TYR 8 1HD TYR 8 -9.206 1.932 3.951
70 HD2 TYR 8 2HD TYR 8 -7.810 -2.071 3.864
71 HE1 TYR 8 1HE TYR 8 -9.985 1.604 6.261
72 HE2 TYR 8 2HE TYR 8 -8.581 -2.414 6.150
73 HH TYR 8 HH TYR 8 -9.060 -1.061 8.126
74 H ARG 9 HN ARG 9 -11.272 -1.073 0.952
75 HA ARG 9 HA ARG 9 -13.286 -0.048 0.798
76 HB2 ARG 9 2HB ARG 9 -11.819 2.382 1.854
77 HB3 ARG 9 1HB ARG 9 -13.564 2.226 1.747
78 HG2 ARG 9 2HG ARG 9 -13.545 0.444 3.373
79 HG3 ARG 9 1HG ARG 9 -11.781 0.456 3.411
80 HD2 ARG 9 2HD ARG 9 -12.642 1.647 5.334
81 HD3 ARG 9 1HD ARG 9 -11.844 2.772 4.241
82 HE ARG 9 HE ARG 9 -14.672 2.545 3.818
83 HH11 ARG 9 1HH1 ARG 9 -12.172 4.276 5.640
84 HH12 ARG 9 2HH1 ARG 9 -13.161 5.616 5.972
85 HH21 ARG 9 1HH2 ARG 9 -15.996 4.349 4.259
86 HH22 ARG 9 2HH2 ARG 9 -15.429 5.660 5.171
87 H GLY 10 HN GLY 10 -11.302 0.034 -1.406
88 HA2 GLY 10 2HA GLY 10 -11.835 0.654 -3.634
89 HA3 GLY 10 1HA GLY 10 -12.666 2.070 -3.009
90 H ILE 11 HN ILE 11 -10.099 2.154 -1.169
91 HA ILE 11 HA ILE 11 -8.669 3.905 -2.997
92 HB ILE 11 HB ILE 11 -8.316 3.539 -0.006
93 HG12 ILE 11 2HG1 ILE 11 -10.560 4.418 -0.531
94 HG13 ILE 11 1HG1 ILE 11 -9.571 5.619 0.282
95 HG21 ILE 11 1HG2 ILE 11 -7.061 5.633 -0.089
96 HG22 ILE 11 2HG2 ILE 11 -7.329 5.732 -1.828
97 HG23 ILE 11 3HG2 ILE 11 -6.336 4.437 -1.170
98 HD11 ILE 11 1HD1 ILE 11 -9.167 6.712 -1.887
99 HD12 ILE 11 2HD1 ILE 11 -10.883 6.625 -1.492
100 HD13 ILE 11 3HD1 ILE 11 -10.193 5.508 -2.669
101 H CYS 12 HN CYS 12 -7.187 2.844 -4.116
102 HA CYS 12 HA CYS 12 -5.598 0.772 -2.824
103 HB2 CYS 12 2HB CYS 12 -5.841 1.556 -5.742
104 HB3 CYS 12 1HB CYS 12 -4.768 0.305 -5.128
105 H TYR 13 HN TYR 13 -3.723 1.262 -2.098
106 HA TYR 13 HA TYR 13 -2.278 3.459 -3.310
107 HB2 TYR 13 2HB TYR 13 -1.591 4.247 -1.042
108 HB3 TYR 13 1HB TYR 13 -3.296 4.468 -1.408
109 HD1 TYR 13 1HD TYR 13 -0.881 2.576 0.638
110 HD2 TYR 13 2HD TYR 13 -4.991 3.304 -0.182
111 HE1 TYR 13 1HE TYR 13 -1.500 1.468 2.747
112 HE2 TYR 13 2HE TYR 13 -5.625 2.208 1.891
113 HH TYR 13 HH TYR 13 -4.699 0.566 3.465
114 H ARG 14 HN ARG 14 -0.083 3.362 -3.044
115 HA ARG 14 HA ARG 14 0.946 0.696 -2.552
116 HB2 ARG 14 2HB ARG 14 3.068 1.578 -3.463
117 HB3 ARG 14 1HB ARG 14 1.737 1.912 -4.564
118 HG2 ARG 14 2HG ARG 14 1.616 4.203 -3.706
119 HG3 ARG 14 1HG ARG 14 2.957 3.858 -2.625
120 HD2 ARG 14 2HD ARG 14 4.378 3.416 -4.593
121 HD3 ARG 14 1HD ARG 14 3.021 3.857 -5.640
122 HE ARG 14 HE ARG 14 3.441 5.851 -3.743
123 HH11 ARG 14 1HH1 ARG 14 4.861 4.657 -6.766
124 HH12 ARG 14 2HH1 ARG 14 5.681 6.105 -7.116
125 HH21 ARG 14 1HH2 ARG 14 4.569 7.830 -4.232
126 HH22 ARG 14 2HH2 ARG 14 5.513 7.957 -5.644
127 H LYS 15 HN LYS 15 2.089 0.183 -0.782
128 HA LYS 15 HA LYS 15 2.739 2.354 1.071
129 HB2 LYS 15 2HB LYS 15 0.836 0.874 1.803
130 HB3 LYS 15 1HB LYS 15 1.956 -0.479 1.795
131 HG2 LYS 15 2HG LYS 15 3.275 0.562 3.534
132 HG3 LYS 15 1HG LYS 15 2.230 1.984 3.507
133 HD2 LYS 15 2HD LYS 15 0.323 0.552 4.136
134 HD3 LYS 15 1HD LYS 15 1.418 -0.824 4.255
135 HE2 LYS 15 2HE LYS 15 2.691 0.352 5.991
136 HE3 LYS 15 1HE LYS 15 1.575 1.712 5.874
137 HZ1 LYS 15 1HZ LYS 15 -0.216 0.225 6.602
138 HZ2 LYS 15 2HZ LYS 15 1.040 0.278 7.727
139 HZ3 LYS 15 3HZ LYS 15 0.892 -1.044 6.714
140 H CYS 16 HN CYS 16 4.821 2.554 1.291
141 HA CYS 16 HA CYS 16 6.546 0.377 0.398
142 HB2 CYS 16 2HB CYS 16 7.073 3.317 0.748
143 HB3 CYS 16 1HB CYS 16 8.267 2.133 0.224
144 H ARG 17 HN ARG 17 8.245 -0.350 1.606
145 HA ARG 17 HA ARG 17 8.227 0.484 4.404
146 HB2 ARG 17 2HB ARG 17 9.190 -2.058 3.105
147 HB3 ARG 17 1HB ARG 17 9.507 -1.651 4.783
148 HG2 ARG 17 2HG ARG 17 7.115 -1.610 5.229
149 HG3 ARG 17 1HG ARG 17 6.794 -2.023 3.537
150 HD2 ARG 17 2HD ARG 17 7.958 -4.104 3.792
151 HD3 ARG 17 1HD ARG 17 8.430 -3.686 5.434
152 HE ARG 17 HE ARG 17 5.687 -3.576 5.376
153 HH11 ARG 17 1HH1 ARG 17 8.174 -6.005 4.772
154 HH12 ARG 17 2HH1 ARG 17 7.230 -7.316 5.333
155 HH21 ARG 17 1HH2 ARG 17 4.386 -5.380 6.159
156 HH22 ARG 17 2HH2 ARG 17 5.053 -6.945 6.164
157 HN1 NH2 18 1H ARG 17 9.453 2.276 4.134
158 HN2 NH2 18 2H ARG 17 11.130 2.231 3.732
Start of MODEL 2
1 H1 LYS 1 1HT LYS 1 12.703 1.449 -4.220
2 H2 LYS 1 2HT LYS 1 11.034 1.170 -4.332
3 H3 LYS 1 3HT LYS 1 12.105 0.033 -4.930
4 HA LYS 1 HA LYS 1 12.919 -0.421 -2.736
5 HB2 LYS 1 2HB LYS 1 10.795 1.594 -1.972
6 HB3 LYS 1 1HB LYS 1 11.519 0.480 -0.825
7 HG2 LYS 1 2HG LYS 1 13.724 1.470 -1.285
8 HG3 LYS 1 1HG LYS 1 12.968 2.599 -2.405
9 HD2 LYS 1 2HD LYS 1 13.379 3.645 -0.249
10 HD3 LYS 1 1HD LYS 1 11.644 3.535 -0.552
11 HE2 LYS 1 2HE LYS 1 11.533 1.577 0.919
12 HE3 LYS 1 1HE LYS 1 13.274 1.669 1.174
13 HZ1 LYS 1 1HZ LYS 1 11.362 3.816 1.903
14 HZ2 LYS 1 2HZ LYS 1 13.004 3.735 2.320
15 HZ3 LYS 1 3HZ LYS 1 11.915 2.633 2.964
16 H TRP 2 HN TRP 2 11.461 -1.680 -1.073
17 HA TRP 2 HA TRP 2 9.676 -3.212 -2.715
18 HB2 TRP 2 2HB TRP 2 11.231 -4.311 -1.080
19 HB3 TRP 2 1HB TRP 2 10.292 -3.580 0.223
20 HD1 TRP 2 1HD TRP 2 9.877 -6.120 -2.644
21 HE1 TRP 2 1HE TRP 2 8.005 -7.768 -2.015
22 HE3 TRP 2 3HE TRP 2 8.315 -3.943 1.699
23 HZ2 TRP 2 2HZ TRP 2 6.116 -8.099 0.059
24 HZ3 TRP 2 3HZ TRP 2 6.459 -4.995 2.949
25 HH2 TRP 2 2HH TRP 2 5.394 -7.028 2.133
26 H CYS 3 HN CYS 3 7.698 -2.631 -2.982
27 HA CYS 3 HA CYS 3 6.315 -1.265 -0.818
28 HB2 CYS 3 2HB CYS 3 6.184 -0.671 -3.775
29 HB3 CYS 3 1HB CYS 3 5.207 0.095 -2.530
30 H PHE 4 HN PHE 4 4.048 -1.571 -0.840
31 HA PHE 4 HA PHE 4 3.053 -3.686 -2.524
32 HB2 PHE 4 2HB PHE 4 1.874 -4.669 -0.556
33 HB3 PHE 4 1HB PHE 4 3.627 -4.885 -0.558
34 HD1 PHE 4 1HD PHE 4 5.010 -3.489 0.994
35 HD2 PHE 4 2HD PHE 4 0.768 -3.627 1.211
36 HE1 PHE 4 1HE PHE 4 5.105 -2.651 3.303
37 HE2 PHE 4 2HE PHE 4 0.861 -2.787 3.504
38 HZ PHE 4 HZ PHE 4 3.040 -2.301 4.559
39 H ARG 5 HN ARG 5 0.830 -3.622 -2.817
40 HA ARG 5 HA ARG 5 -0.202 -0.964 -2.257
41 HB2 ARG 5 2HB ARG 5 0.174 -1.526 -4.637
42 HB3 ARG 5 1HB ARG 5 -0.954 -2.857 -4.477
43 HG2 ARG 5 2HG ARG 5 -2.767 -1.342 -4.045
44 HG3 ARG 5 1HG ARG 5 -1.660 0.032 -4.042
45 HD2 ARG 5 2HD ARG 5 -2.176 -1.788 -6.389
46 HD3 ARG 5 1HD ARG 5 -2.883 -0.187 -6.162
47 HE ARG 5 HE ARG 5 -0.017 -0.243 -6.088
48 HH11 ARG 5 1HH1 ARG 5 -2.831 -0.018 -8.229
49 HH12 ARG 5 2HH1 ARG 5 -2.013 0.819 -9.457
50 HH21 ARG 5 1HH2 ARG 5 1.131 0.844 -7.814
51 HH22 ARG 5 2HH2 ARG 5 0.302 1.311 -9.216
52 H VAL 6 HN VAL 6 -1.946 -0.748 -1.109
53 HA VAL 6 HA VAL 6 -3.431 -3.161 -0.347
54 HB VAL 6 HB VAL 6 -3.080 -0.556 1.187
55 HG11 VAL 6 1HG1 VAL 6 -4.226 -1.676 3.059
56 HG12 VAL 6 2HG1 VAL 6 -4.496 -3.088 2.051
57 HG13 VAL 6 3HG1 VAL 6 -5.272 -1.562 1.647
58 HG21 VAL 6 1HG2 VAL 6 -1.811 -1.918 2.795
59 HG22 VAL 6 2HG2 VAL 6 -1.046 -1.847 1.205
60 HG23 VAL 6 3HG2 VAL 6 -1.926 -3.292 1.694
61 H CYS 7 HN CYS 7 -5.592 -3.117 -0.780
62 HA CYS 7 HA CYS 7 -6.689 -0.608 -1.781
63 HB2 CYS 7 2HB CYS 7 -7.581 -3.464 -2.273
64 HB3 CYS 7 1HB CYS 7 -8.433 -2.033 -2.844
65 H TYR 8 HN TYR 8 -7.808 0.392 -0.431
66 HA TYR 8 HA TYR 8 -9.207 -1.094 1.663
67 HB2 TYR 8 2HB TYR 8 -7.061 0.112 2.316
68 HB3 TYR 8 1HB TYR 8 -7.911 1.602 1.935
69 HD1 TYR 8 1HD TYR 8 -7.883 -1.335 4.143
70 HD2 TYR 8 2HD TYR 8 -9.410 2.575 3.501
71 HE1 TYR 8 1HE TYR 8 -8.712 -1.317 6.411
72 HE2 TYR 8 2HE TYR 8 -10.271 2.621 5.793
73 HH TYR 8 HH TYR 8 -9.350 0.315 8.121
74 H ARG 9 HN ARG 9 -11.223 -0.920 0.972
75 HA ARG 9 HA ARG 9 -13.279 -0.088 0.484
76 HB2 ARG 9 2HB ARG 9 -12.121 2.458 1.647
77 HB3 ARG 9 1HB ARG 9 -13.830 2.183 1.336
78 HG2 ARG 9 2HG ARG 9 -12.116 0.609 3.259
79 HG3 ARG 9 1HG ARG 9 -13.288 1.852 3.697
80 HD2 ARG 9 2HD ARG 9 -15.091 0.520 2.780
81 HD3 ARG 9 1HD ARG 9 -13.953 -0.698 2.219
82 HE ARG 9 HE ARG 9 -13.469 -0.627 4.835
83 HH11 ARG 9 1HH1 ARG 9 -16.469 -0.906 2.994
84 HH12 ARG 9 2HH1 ARG 9 -17.283 -1.854 4.136
85 HH21 ARG 9 1HH2 ARG 9 -14.562 -1.915 6.438
86 HH22 ARG 9 2HH2 ARG 9 -16.163 -2.434 6.182
87 H GLY 10 HN GLY 10 -11.326 -0.111 -1.540
88 HA2 GLY 10 2HA GLY 10 -11.779 0.331 -3.824
89 HA3 GLY 10 1HA GLY 10 -12.592 1.816 -3.352
90 H ILE 11 HN ILE 11 -10.137 2.138 -1.468
91 HA ILE 11 HA ILE 11 -8.644 3.678 -3.427
92 HB ILE 11 HB ILE 11 -8.306 3.568 -0.420
93 HG12 ILE 11 2HG1 ILE 11 -10.548 4.383 -0.967
94 HG13 ILE 11 1HG1 ILE 11 -9.551 5.694 -0.350
95 HG21 ILE 11 1HG2 ILE 11 -7.334 5.608 -2.418
96 HG22 ILE 11 2HG2 ILE 11 -6.343 4.364 -1.680
97 HG23 ILE 11 3HG2 ILE 11 -7.045 5.636 -0.675
98 HD11 ILE 11 1HD1 ILE 11 -9.218 6.493 -2.640
99 HD12 ILE 11 2HD1 ILE 11 -10.921 6.442 -2.197
100 HD13 ILE 11 3HD1 ILE 11 -10.245 5.190 -3.240
101 H CYS 12 HN CYS 12 -7.098 2.529 -4.434
102 HA CYS 12 HA CYS 12 -5.586 0.604 -2.851
103 HB2 CYS 12 2HB CYS 12 -5.606 1.023 -5.849
104 HB3 CYS 12 1HB CYS 12 -4.705 -0.204 -4.957
105 H TYR 13 HN TYR 13 -3.919 1.338 -1.925
106 HA TYR 13 HA TYR 13 -2.401 3.472 -3.225
107 HB2 TYR 13 2HB TYR 13 -1.979 4.450 -0.971
108 HB3 TYR 13 1HB TYR 13 -3.664 4.495 -1.472
109 HD1 TYR 13 1HD TYR 13 -1.266 2.759 0.727
110 HD2 TYR 13 2HD TYR 13 -5.357 3.467 -0.147
111 HE1 TYR 13 1HE TYR 13 -1.876 1.751 2.832
112 HE2 TYR 13 2HE TYR 13 -5.999 2.438 1.969
113 HH TYR 13 HH TYR 13 -5.121 0.922 3.637
114 H ARG 14 HN ARG 14 -0.184 3.625 -2.577
115 HA ARG 14 HA ARG 14 0.935 0.961 -2.248
116 HB2 ARG 14 2HB ARG 14 1.547 2.120 -4.273
117 HB3 ARG 14 1HB ARG 14 2.076 3.516 -3.358
118 HG2 ARG 14 2HG ARG 14 3.899 2.224 -2.400
119 HG3 ARG 14 1HG ARG 14 3.350 0.797 -3.281
120 HD2 ARG 14 2HD ARG 14 5.228 1.901 -4.412
121 HD3 ARG 14 1HD ARG 14 3.770 1.908 -5.398
122 HE ARG 14 HE ARG 14 3.883 4.285 -3.929
123 HH11 ARG 14 1HH1 ARG 14 5.616 2.691 -6.565
124 HH12 ARG 14 2HH1 ARG 14 6.036 4.121 -7.379
125 HH21 ARG 14 1HH2 ARG 14 4.500 6.300 -5.023
126 HH22 ARG 14 2HH2 ARG 14 5.412 6.228 -6.451
127 H LYS 15 HN LYS 15 1.859 0.407 -0.436
128 HA LYS 15 HA LYS 15 2.879 2.455 1.390
129 HB2 LYS 15 2HB LYS 15 2.044 -0.411 1.893
130 HB3 LYS 15 1HB LYS 15 2.783 0.632 3.097
131 HG2 LYS 15 2HG LYS 15 0.888 2.102 3.072
132 HG3 LYS 15 1HG LYS 15 0.177 1.224 1.719
133 HD2 LYS 15 2HD LYS 15 -0.898 0.575 3.848
134 HD3 LYS 15 1HD LYS 15 -0.028 -0.770 3.122
135 HE2 LYS 15 2HE LYS 15 1.800 -0.409 4.666
136 HE3 LYS 15 1HE LYS 15 0.958 0.982 5.356
137 HZ1 LYS 15 1HZ LYS 15 -0.798 -0.454 6.083
138 HZ2 LYS 15 2HZ LYS 15 0.656 -1.046 6.669
139 HZ3 LYS 15 3HZ LYS 15 -0.093 -1.800 5.359
140 H CYS 16 HN CYS 16 5.094 2.141 2.104
141 HA CYS 16 HA CYS 16 6.524 0.006 0.688
142 HB2 CYS 16 2HB CYS 16 7.388 2.892 0.856
143 HB3 CYS 16 1HB CYS 16 8.341 1.586 0.168
144 H ARG 17 HN ARG 17 8.320 -0.807 1.720
145 HA ARG 17 HA ARG 17 8.741 0.194 4.446
146 HB2 ARG 17 2HB ARG 17 9.419 -2.538 3.320
147 HB3 ARG 17 1HB ARG 17 9.877 -1.989 4.921
148 HG2 ARG 17 2HG ARG 17 7.398 -1.690 5.365
149 HG3 ARG 17 1HG ARG 17 7.134 -2.587 3.867
150 HD2 ARG 17 2HD ARG 17 7.066 -4.115 5.776
151 HD3 ARG 17 1HD ARG 17 8.467 -4.446 4.755
152 HE ARG 17 HE ARG 17 9.184 -2.625 6.765
153 HH11 ARG 17 1HH1 ARG 17 8.394 -6.071 6.509
154 HH12 ARG 17 2HH1 ARG 17 9.358 -6.550 7.812
155 HH21 ARG 17 1HH2 ARG 17 10.536 -3.257 8.513
156 HH22 ARG 17 2HH2 ARG 17 10.665 -4.889 8.981
157 HN1 NH2 18 1H ARG 17 10.871 -1.684 2.357
158 HN2 NH2 18 2H ARG 17 12.155 -0.538 2.369
Start of MODEL 3
1 H1 LYS 1 1HT LYS 1 12.465 0.064 -4.321
2 H2 LYS 1 2HT LYS 1 13.087 1.497 -3.726
3 H3 LYS 1 3HT LYS 1 11.495 1.423 -4.335
4 HA LYS 1 HA LYS 1 12.464 0.024 -1.944
5 HB2 LYS 1 2HB LYS 1 10.484 2.304 -2.232
6 HB3 LYS 1 1HB LYS 1 10.875 1.483 -0.735
7 HG2 LYS 1 2HG LYS 1 13.186 2.332 -0.909
8 HG3 LYS 1 1HG LYS 1 12.727 3.204 -2.375
9 HD2 LYS 1 2HD LYS 1 11.048 4.454 -1.094
10 HD3 LYS 1 1HD LYS 1 11.520 3.586 0.365
11 HE2 LYS 1 2HE LYS 1 12.579 5.754 0.367
12 HE3 LYS 1 1HE LYS 1 13.805 4.512 0.126
13 HZ1 LYS 1 1HZ LYS 1 12.633 6.233 -1.995
14 HZ2 LYS 1 2HZ LYS 1 13.786 5.035 -2.260
15 HZ3 LYS 1 3HZ LYS 1 14.166 6.375 -1.335
16 H TRP 2 HN TRP 2 11.239 -1.672 -1.441
17 HA TRP 2 HA TRP 2 9.157 -2.570 -3.145
18 HB2 TRP 2 2HB TRP 2 10.603 -4.151 -1.975
19 HB3 TRP 2 1HB TRP 2 10.009 -3.561 -0.425
20 HD1 TRP 2 1HD TRP 2 8.105 -4.824 0.545
21 HE1 TRP 2 1HE TRP 2 6.330 -6.541 -0.299
22 HE3 TRP 2 3HE TRP 2 9.191 -4.703 -4.405
23 HZ2 TRP 2 2HZ TRP 2 5.516 -7.638 -2.760
24 HZ3 TRP 2 3HZ TRP 2 7.871 -6.089 -5.958
25 HH2 TRP 2 2HH TRP 2 6.075 -7.523 -5.145
26 H CYS 3 HN CYS 3 7.069 -2.375 -3.046
27 HA CYS 3 HA CYS 3 5.835 -1.220 -0.662
28 HB2 CYS 3 2HB CYS 3 5.138 -0.334 -3.465
29 HB3 CYS 3 1HB CYS 3 4.653 0.349 -1.912
30 H PHE 4 HN PHE 4 3.992 -2.304 -0.187
31 HA PHE 4 HA PHE 4 2.968 -4.096 -2.233
32 HB2 PHE 4 2HB PHE 4 1.604 -5.059 -0.350
33 HB3 PHE 4 1HB PHE 4 3.334 -5.410 -0.281
34 HD1 PHE 4 1HD PHE 4 4.714 -4.125 1.401
35 HD2 PHE 4 2HD PHE 4 0.461 -3.985 1.394
36 HE1 PHE 4 1HE PHE 4 4.742 -3.305 3.709
37 HE2 PHE 4 2HE PHE 4 0.482 -3.165 3.706
38 HZ PHE 4 HZ PHE 4 2.620 -2.822 4.872
39 H ARG 5 HN ARG 5 0.848 -4.097 -2.810
40 HA ARG 5 HA ARG 5 -0.343 -1.487 -2.518
41 HB2 ARG 5 2HB ARG 5 -0.032 -2.225 -4.781
42 HB3 ARG 5 1HB ARG 5 -0.842 -3.745 -4.456
43 HG2 ARG 5 2HG ARG 5 -2.954 -2.536 -4.123
44 HG3 ARG 5 1HG ARG 5 -2.128 -1.020 -4.497
45 HD2 ARG 5 2HD ARG 5 -1.560 -1.863 -6.711
46 HD3 ARG 5 1HD ARG 5 -2.326 -3.397 -6.334
47 HE ARG 5 HE ARG 5 -4.429 -2.235 -6.210
48 HH11 ARG 5 1HH1 ARG 5 -1.797 -0.458 -7.829
49 HH12 ARG 5 2HH1 ARG 5 -2.838 0.380 -8.882
50 HH21 ARG 5 1HH2 ARG 5 -5.837 -1.014 -7.694
51 HH22 ARG 5 2HH2 ARG 5 -5.122 0.057 -8.812
52 H VAL 6 HN VAL 6 -1.992 -1.161 -1.245
53 HA VAL 6 HA VAL 6 -3.669 -3.448 -0.475
54 HB VAL 6 HB VAL 6 -3.196 -0.892 1.111
55 HG11 VAL 6 1HG1 VAL 6 -5.390 -1.853 1.538
56 HG12 VAL 6 2HG1 VAL 6 -4.362 -2.042 2.951
57 HG13 VAL 6 3HG1 VAL 6 -4.659 -3.416 1.888
58 HG21 VAL 6 1HG2 VAL 6 -1.166 -2.228 1.118
59 HG22 VAL 6 2HG2 VAL 6 -2.080 -3.652 1.614
60 HG23 VAL 6 3HG2 VAL 6 -1.930 -2.276 2.708
61 H CYS 7 HN CYS 7 -5.793 -3.193 -1.023
62 HA CYS 7 HA CYS 7 -6.581 -0.518 -1.893
63 HB2 CYS 7 2HB CYS 7 -7.658 -3.217 -2.750
64 HB3 CYS 7 1HB CYS 7 -8.388 -1.673 -3.191
65 H TYR 8 HN TYR 8 -7.591 0.460 -0.419
66 HA TYR 8 HA TYR 8 -9.238 -1.099 1.439
67 HB2 TYR 8 2HB TYR 8 -7.052 -0.070 2.271
68 HB3 TYR 8 1HB TYR 8 -7.812 1.489 2.015
69 HD1 TYR 8 1HD TYR 8 -9.463 2.329 3.540
70 HD2 TYR 8 2HD TYR 8 -7.915 -1.596 3.997
71 HE1 TYR 8 1HE TYR 8 -10.471 2.199 5.770
72 HE2 TYR 8 2HE TYR 8 -8.903 -1.756 6.203
73 HH TYR 8 HH TYR 8 -9.689 -0.195 8.011
74 H ARG 9 HN ARG 9 -11.251 -0.734 0.909
75 HA ARG 9 HA ARG 9 -13.247 0.244 0.492
76 HB2 ARG 9 2HB ARG 9 -11.847 2.800 1.304
77 HB3 ARG 9 1HB ARG 9 -13.580 2.617 1.109
78 HG2 ARG 9 2HG ARG 9 -13.614 0.998 2.948
79 HG3 ARG 9 1HG ARG 9 -11.870 1.184 3.132
80 HD2 ARG 9 2HD ARG 9 -13.068 2.549 4.762
81 HD3 ARG 9 1HD ARG 9 -12.167 3.553 3.626
82 HE ARG 9 HE ARG 9 -14.942 3.017 3.015
83 HH11 ARG 9 1HH1 ARG 9 -12.547 5.375 4.199
84 HH12 ARG 9 2HH1 ARG 9 -13.624 6.696 4.073
85 HH21 ARG 9 1HH2 ARG 9 -16.369 4.879 2.878
86 HH22 ARG 9 2HH2 ARG 9 -15.794 6.417 3.354
87 H GLY 10 HN GLY 10 -11.124 0.060 -1.546
88 HA2 GLY 10 2HA GLY 10 -11.448 0.393 -3.869
89 HA3 GLY 10 1HA GLY 10 -12.348 1.862 -3.503
90 H ILE 11 HN ILE 11 -10.020 2.321 -1.465
91 HA ILE 11 HA ILE 11 -8.470 3.901 -3.327
92 HB ILE 11 HB ILE 11 -8.298 3.709 -0.304
93 HG12 ILE 11 2HG1 ILE 11 -10.460 4.606 -1.008
94 HG13 ILE 11 1HG1 ILE 11 -9.480 5.868 -0.274
95 HG21 ILE 11 1HG2 ILE 11 -7.009 5.808 -0.437
96 HG22 ILE 11 2HG2 ILE 11 -7.058 5.714 -2.197
97 HG23 ILE 11 3HG2 ILE 11 -6.203 4.479 -1.271
98 HD11 ILE 11 1HD1 ILE 11 -10.644 6.718 -2.203
99 HD12 ILE 11 2HD1 ILE 11 -9.967 5.447 -3.214
100 HD13 ILE 11 3HD1 ILE 11 -8.910 6.682 -2.529
101 H CYS 12 HN CYS 12 -6.889 2.891 -4.282
102 HA CYS 12 HA CYS 12 -5.472 0.792 -2.835
103 HB2 CYS 12 2HB CYS 12 -5.393 1.527 -5.764
104 HB3 CYS 12 1HB CYS 12 -4.531 0.186 -5.024
105 H TYR 13 HN TYR 13 -3.609 1.136 -2.015
106 HA TYR 13 HA TYR 13 -1.929 3.275 -3.035
107 HB2 TYR 13 2HB TYR 13 -1.475 4.040 -0.719
108 HB3 TYR 13 1HB TYR 13 -3.157 4.252 -1.184
109 HD1 TYR 13 1HD TYR 13 -0.881 2.623 1.112
110 HD2 TYR 13 2HD TYR 13 -4.905 2.750 -0.243
111 HE1 TYR 13 1HE TYR 13 -1.584 1.428 3.105
112 HE2 TYR 13 2HE TYR 13 -5.628 1.554 1.752
113 HH TYR 13 HH TYR 13 -4.612 -0.004 3.441
114 H ARG 14 HN ARG 14 0.268 3.080 -2.023
115 HA ARG 14 HA ARG 14 0.928 0.240 -1.705
116 HB2 ARG 14 2HB ARG 14 2.515 2.413 -3.079
117 HB3 ARG 14 1HB ARG 14 3.047 0.767 -2.813
118 HG2 ARG 14 2HG ARG 14 1.382 -0.095 -4.277
119 HG3 ARG 14 1HG ARG 14 0.650 1.504 -4.447
120 HD2 ARG 14 2HD ARG 14 3.467 0.808 -5.256
121 HD3 ARG 14 1HD ARG 14 2.092 0.877 -6.357
122 HE ARG 14 HE ARG 14 2.284 3.294 -4.944
123 HH11 ARG 14 1HH1 ARG 14 3.989 1.537 -7.495
124 HH12 ARG 14 2HH1 ARG 14 4.545 2.931 -8.284
125 HH21 ARG 14 1HH2 ARG 14 3.010 5.219 -6.048
126 HH22 ARG 14 2HH2 ARG 14 3.969 5.094 -7.435
127 H LYS 15 HN LYS 15 1.707 -0.136 0.265
128 HA LYS 15 HA LYS 15 2.889 2.053 1.752
129 HB2 LYS 15 2HB LYS 15 2.316 -0.801 2.546
130 HB3 LYS 15 1HB LYS 15 3.163 0.327 3.586
131 HG2 LYS 15 2HG LYS 15 1.137 1.804 3.483
132 HG3 LYS 15 1HG LYS 15 0.318 0.488 2.633
133 HD2 LYS 15 2HD LYS 15 0.671 -0.997 4.504
134 HD3 LYS 15 1HD LYS 15 1.605 0.232 5.347
135 HE2 LYS 15 2HE LYS 15 -0.453 1.667 5.378
136 HE3 LYS 15 1HE LYS 15 -1.331 0.308 4.672
137 HZ1 LYS 15 1HZ LYS 15 -1.594 0.361 7.067
138 HZ2 LYS 15 2HZ LYS 15 0.094 0.225 7.260
139 HZ3 LYS 15 3HZ LYS 15 -0.761 -1.017 6.563
140 H CYS 16 HN CYS 16 4.919 2.500 1.568
141 HA CYS 16 HA CYS 16 6.660 0.503 0.357
142 HB2 CYS 16 2HB CYS 16 6.945 3.487 0.582
143 HB3 CYS 16 1HB CYS 16 8.104 2.415 -0.193
144 H ARG 17 HN ARG 17 8.327 -0.348 1.353
145 HA ARG 17 HA ARG 17 9.374 0.930 3.763
146 HB2 ARG 17 2HB ARG 17 8.742 -2.008 3.418
147 HB3 ARG 17 1HB ARG 17 9.716 -1.362 4.724
148 HG2 ARG 17 2HG ARG 17 7.775 -0.063 5.505
149 HG3 ARG 17 1HG ARG 17 6.805 -0.769 4.209
150 HD2 ARG 17 2HD ARG 17 6.503 -1.924 6.371
151 HD3 ARG 17 1HD ARG 17 7.139 -2.991 5.118
152 HE ARG 17 HE ARG 17 9.116 -1.709 6.755
153 HH11 ARG 17 1HH1 ARG 17 7.030 -4.555 6.527
154 HH12 ARG 17 2HH1 ARG 17 8.080 -5.589 7.383
155 HH21 ARG 17 1HH2 ARG 17 10.553 -3.081 7.939
156 HH22 ARG 17 2HH2 ARG 17 10.160 -4.698 8.238
157 HN1 NH2 18 1H ARG 17 11.043 1.691 2.492
158 HN2 NH2 18 2H ARG 17 12.262 0.671 1.814
Start of MODEL 4
1 H1 LYS 1 1HT LYS 1 12.007 0.761 -3.519
2 H2 LYS 1 2HT LYS 1 12.912 -0.617 -3.724
3 H3 LYS 1 3HT LYS 1 13.621 0.700 -2.998
4 HA LYS 1 HA LYS 1 13.065 -1.010 -1.421
5 HB2 LYS 1 2HB LYS 1 11.164 1.355 -1.255
6 HB3 LYS 1 1HB LYS 1 11.323 0.177 0.028
7 HG2 LYS 1 2HG LYS 1 12.617 2.017 0.702
8 HG3 LYS 1 1HG LYS 1 13.783 0.831 0.131
9 HD2 LYS 1 2HD LYS 1 13.944 2.036 -1.998
10 HD3 LYS 1 1HD LYS 1 12.775 3.225 -1.417
11 HE2 LYS 1 2HE LYS 1 14.346 3.757 0.436
12 HE3 LYS 1 1HE LYS 1 15.502 2.639 -0.279
13 HZ1 LYS 1 1HZ LYS 1 14.446 5.095 -1.578
14 HZ2 LYS 1 2HZ LYS 1 15.575 4.035 -2.258
15 HZ3 LYS 1 3HZ LYS 1 15.966 4.915 -0.891
16 H TRP 2 HN TRP 2 11.145 -2.093 -0.288
17 HA TRP 2 HA TRP 2 9.581 -3.325 -2.360
18 HB2 TRP 2 2HB TRP 2 9.734 -3.852 0.607
19 HB3 TRP 2 1HB TRP 2 8.669 -4.736 -0.475
20 HD1 TRP 2 1HD TRP 2 10.168 -5.886 -2.660
21 HE1 TRP 2 1HE TRP 2 12.316 -7.302 -2.427
22 HE3 TRP 2 3HE TRP 2 11.666 -4.332 1.973
23 HZ2 TRP 2 2HZ TRP 2 14.365 -7.692 -0.527
24 HZ3 TRP 2 3HZ TRP 2 13.722 -5.274 2.924
25 HH2 TRP 2 2HH TRP 2 15.040 -6.922 1.698
26 H CYS 3 HN CYS 3 7.756 -2.581 -3.006
27 HA CYS 3 HA CYS 3 6.108 -1.024 -1.144
28 HB2 CYS 3 2HB CYS 3 6.267 -0.781 -4.158
29 HB3 CYS 3 1HB CYS 3 5.219 0.163 -3.104
30 H PHE 4 HN PHE 4 4.030 -1.588 -0.907
31 HA PHE 4 HA PHE 4 3.013 -3.678 -2.640
32 HB2 PHE 4 2HB PHE 4 1.801 -4.571 -0.638
33 HB3 PHE 4 1HB PHE 4 3.541 -4.900 -0.705
34 HD1 PHE 4 1HD PHE 4 5.050 -3.668 0.850
35 HD2 PHE 4 2HD PHE 4 0.817 -3.366 1.136
36 HE1 PHE 4 1HE PHE 4 5.276 -2.796 3.132
37 HE2 PHE 4 2HE PHE 4 1.031 -2.483 3.424
38 HZ PHE 4 HZ PHE 4 3.263 -2.195 4.428
39 H ARG 5 HN ARG 5 0.887 -3.637 -3.092
40 HA ARG 5 HA ARG 5 -0.268 -1.019 -2.737
41 HB2 ARG 5 2HB ARG 5 -0.199 -1.706 -5.017
42 HB3 ARG 5 1HB ARG 5 -0.897 -3.271 -4.640
43 HG2 ARG 5 2HG ARG 5 -3.040 -2.198 -4.140
44 HG3 ARG 5 1HG ARG 5 -2.332 -0.620 -4.482
45 HD2 ARG 5 2HD ARG 5 -2.028 -1.146 -6.772
46 HD3 ARG 5 1HD ARG 5 -2.368 -2.853 -6.507
47 HE ARG 5 HE ARG 5 -4.666 -1.830 -5.769
48 HH11 ARG 5 1HH1 ARG 5 -2.716 -0.936 -8.578
49 HH12 ARG 5 2HH1 ARG 5 -4.042 -0.522 -9.558
50 HH21 ARG 5 1HH2 ARG 5 -6.502 -1.318 -7.136
51 HH22 ARG 5 2HH2 ARG 5 -6.263 -0.754 -8.715
52 H VAL 6 HN VAL 6 -1.940 -0.632 -1.487
53 HA VAL 6 HA VAL 6 -3.417 -2.932 -0.447
54 HB VAL 6 HB VAL 6 -2.851 -0.327 1.013
55 HG11 VAL 6 1HG1 VAL 6 -4.217 -2.842 1.969
56 HG12 VAL 6 2HG1 VAL 6 -4.997 -1.301 1.624
57 HG13 VAL 6 3HG1 VAL 6 -3.856 -1.430 2.962
58 HG21 VAL 6 1HG2 VAL 6 -0.824 -1.676 0.885
59 HG22 VAL 6 2HG2 VAL 6 -1.697 -3.073 1.511
60 HG23 VAL 6 3HG2 VAL 6 -1.450 -1.658 2.534
61 H CYS 7 HN CYS 7 -5.483 -2.838 -0.935
62 HA CYS 7 HA CYS 7 -6.575 -0.255 -1.728
63 HB2 CYS 7 2HB CYS 7 -7.441 -3.055 -2.490
64 HB3 CYS 7 1HB CYS 7 -8.320 -1.586 -2.906
65 H TYR 8 HN TYR 8 -7.557 0.608 -0.159
66 HA TYR 8 HA TYR 8 -8.885 -1.109 1.814
67 HB2 TYR 8 2HB TYR 8 -6.917 0.455 2.429
68 HB3 TYR 8 1HB TYR 8 -8.063 1.757 2.159
69 HD1 TYR 8 1HD TYR 8 -9.972 2.108 3.665
70 HD2 TYR 8 2HD TYR 8 -7.127 -0.981 4.370
71 HE1 TYR 8 1HE TYR 8 -10.801 1.861 5.960
72 HE2 TYR 8 2HE TYR 8 -7.943 -1.231 6.646
73 HH TYR 8 HH TYR 8 -9.139 0.159 8.334
74 H ARG 9 HN ARG 9 -10.988 -1.172 1.311
75 HA ARG 9 HA ARG 9 -13.107 -0.538 0.834
76 HB2 ARG 9 2HB ARG 9 -11.987 2.133 1.634
77 HB3 ARG 9 1HB ARG 9 -13.652 1.958 1.103
78 HG2 ARG 9 2HG ARG 9 -12.458 0.408 3.379
79 HG3 ARG 9 1HG ARG 9 -13.319 1.937 3.570
80 HD2 ARG 9 2HD ARG 9 -14.431 -0.613 2.401
81 HD3 ARG 9 1HD ARG 9 -14.847 0.104 3.958
82 HE ARG 9 HE ARG 9 -15.391 2.099 2.276
83 HH11 ARG 9 1HH1 ARG 9 -16.365 -1.289 2.258
84 HH12 ARG 9 2HH1 ARG 9 -17.833 -1.028 1.449
85 HH21 ARG 9 1HH2 ARG 9 -17.422 2.485 1.093
86 HH22 ARG 9 2HH2 ARG 9 -18.432 1.153 0.774
87 H GLY 10 HN GLY 10 -10.934 -0.506 -1.207
88 HA2 GLY 10 2HA GLY 10 -11.217 -0.384 -3.550
89 HA3 GLY 10 1HA GLY 10 -12.471 0.827 -3.309
90 H ILE 11 HN ILE 11 -10.288 1.912 -1.272
91 HA ILE 11 HA ILE 11 -9.147 3.737 -3.195
92 HB ILE 11 HB ILE 11 -8.820 3.635 -0.174
93 HG12 ILE 11 2HG1 ILE 11 -11.166 4.019 -0.743
94 HG13 ILE 11 1HG1 ILE 11 -10.458 5.488 -0.085
95 HG21 ILE 11 1HG2 ILE 11 -8.043 5.958 -0.353
96 HG22 ILE 11 2HG2 ILE 11 -8.164 5.858 -2.107
97 HG23 ILE 11 3HG2 ILE 11 -7.003 4.848 -1.248
98 HD11 ILE 11 1HD1 ILE 11 -10.988 4.915 -2.997
99 HD12 ILE 11 2HD1 ILE 11 -10.258 6.387 -2.359
100 HD13 ILE 11 3HD1 ILE 11 -11.924 5.980 -1.949
101 H CYS 12 HN CYS 12 -7.389 3.041 -4.188
102 HA CYS 12 HA CYS 12 -5.686 1.113 -2.809
103 HB2 CYS 12 2HB CYS 12 -5.833 1.765 -5.745
104 HB3 CYS 12 1HB CYS 12 -4.812 0.539 -5.011
105 H TYR 13 HN TYR 13 -3.766 1.537 -2.210
106 HA TYR 13 HA TYR 13 -2.267 3.706 -3.407
107 HB2 TYR 13 2HB TYR 13 -1.592 4.479 -1.108
108 HB3 TYR 13 1HB TYR 13 -3.282 4.758 -1.518
109 HD1 TYR 13 1HD TYR 13 -1.061 2.463 0.381
110 HD2 TYR 13 2HD TYR 13 -4.995 3.985 -0.127
111 HE1 TYR 13 1HE TYR 13 -1.747 1.338 2.418
112 HE2 TYR 13 2HE TYR 13 -5.701 2.873 1.932
113 HH TYR 13 HH TYR 13 -4.950 0.904 3.298
114 H ARG 14 HN ARG 14 0.039 3.575 -2.585
115 HA ARG 14 HA ARG 14 0.669 0.769 -2.077
116 HB2 ARG 14 2HB ARG 14 2.795 1.044 -3.270
117 HB3 ARG 14 1HB ARG 14 1.435 1.371 -4.326
118 HG2 ARG 14 2HG ARG 14 1.845 3.755 -4.167
119 HG3 ARG 14 1HG ARG 14 3.128 3.480 -2.990
120 HD2 ARG 14 2HD ARG 14 4.075 3.886 -5.201
121 HD3 ARG 14 1HD ARG 14 4.407 2.239 -4.682
122 HE ARG 14 HE ARG 14 2.050 2.259 -6.190
123 HH11 ARG 14 1HH1 ARG 14 5.541 2.686 -6.690
124 HH12 ARG 14 2HH1 ARG 14 5.517 2.152 -8.294
125 HH21 ARG 14 1HH2 ARG 14 2.030 1.532 -8.414
126 HH22 ARG 14 2HH2 ARG 14 3.472 1.489 -9.313
127 H LYS 15 HN LYS 15 1.880 0.299 -0.431
128 HA LYS 15 HA LYS 15 2.947 2.510 1.121
129 HB2 LYS 15 2HB LYS 15 2.054 -0.239 1.911
130 HB3 LYS 15 1HB LYS 15 3.127 0.700 2.940
131 HG2 LYS 15 2HG LYS 15 1.452 2.512 2.941
132 HG3 LYS 15 1HG LYS 15 0.369 1.452 2.038
133 HD2 LYS 15 2HD LYS 15 0.259 -0.080 3.841
134 HD3 LYS 15 1HD LYS 15 1.578 0.729 4.691
135 HE2 LYS 15 2HE LYS 15 -1.059 1.985 4.030
136 HE3 LYS 15 1HE LYS 15 -0.676 1.280 5.615
137 HZ1 LYS 15 1HZ LYS 15 1.115 2.994 5.759
138 HZ2 LYS 15 2HZ LYS 15 -0.425 3.654 5.614
139 HZ3 LYS 15 3HZ LYS 15 0.565 3.640 4.288
140 H CYS 16 HN CYS 16 5.112 2.674 1.154
141 HA CYS 16 HA CYS 16 6.617 0.385 0.150
142 HB2 CYS 16 2HB CYS 16 7.323 3.314 0.110
143 HB3 CYS 16 1HB CYS 16 8.374 2.017 -0.443
144 H ARG 17 HN ARG 17 7.849 -0.646 1.452
145 HA ARG 17 HA ARG 17 8.906 0.716 3.813
146 HB2 ARG 17 2HB ARG 17 7.689 -2.048 3.677
147 HB3 ARG 17 1HB ARG 17 8.756 -1.557 4.983
148 HG2 ARG 17 2HG ARG 17 7.179 0.217 5.596
149 HG3 ARG 17 1HG ARG 17 6.114 -0.282 4.280
150 HD2 ARG 17 2HD ARG 17 5.741 -2.414 5.301
151 HD3 ARG 17 1HD ARG 17 6.980 -2.107 6.516
152 HE ARG 17 HE ARG 17 5.211 -0.090 6.874
153 HH11 ARG 17 1HH1 ARG 17 4.774 -3.603 6.723
154 HH12 ARG 17 2HH1 ARG 17 3.594 -3.653 7.940
155 HH21 ARG 17 1HH2 ARG 17 3.606 -0.173 8.582
156 HH22 ARG 17 2HH2 ARG 17 2.914 -1.660 9.024
157 HN1 NH2 18 1H ARG 17 9.393 -2.604 2.775
158 HN2 NH2 18 2H ARG 17 11.057 -2.388 2.349
Start of MODEL 5
1 H1 LYS 1 1HT LYS 1 12.219 0.452 -4.286
2 H2 LYS 1 2HT LYS 1 13.067 -0.989 -4.431
3 H3 LYS 1 3HT LYS 1 13.780 0.323 -3.644
4 HA LYS 1 HA LYS 1 13.007 -1.316 -2.087
5 HB2 LYS 1 2HB LYS 1 11.308 1.185 -2.131
6 HB3 LYS 1 1HB LYS 1 11.412 0.093 -0.768
7 HG2 LYS 1 2HG LYS 1 13.822 0.574 -0.605
8 HG3 LYS 1 1HG LYS 1 13.652 1.726 -1.930
9 HD2 LYS 1 2HD LYS 1 12.040 3.008 -0.593
10 HD3 LYS 1 1HD LYS 1 12.237 1.855 0.724
11 HE2 LYS 1 2HE LYS 1 14.593 2.418 0.886
12 HE3 LYS 1 1HE LYS 1 14.421 3.540 -0.462
13 HZ1 LYS 1 1HZ LYS 1 12.990 3.766 2.113
14 HZ2 LYS 1 2HZ LYS 1 12.961 4.899 0.855
15 HZ3 LYS 1 3HZ LYS 1 14.385 4.612 1.713
16 H TRP 2 HN TRP 2 11.217 -2.444 -1.152
17 HA TRP 2 HA TRP 2 9.332 -3.313 -3.153
18 HB2 TRP 2 2HB TRP 2 9.717 -4.191 -0.286
19 HB3 TRP 2 1HB TRP 2 8.577 -4.901 -1.413
20 HD1 TRP 2 1HD TRP 2 9.780 -6.072 -3.652
21 HE1 TRP 2 1HE TRP 2 11.923 -7.514 -3.691
22 HE3 TRP 2 3HE TRP 2 11.860 -4.562 0.748
23 HZ2 TRP 2 2HZ TRP 2 14.164 -7.951 -2.063
24 HZ3 TRP 2 3HZ TRP 2 13.999 -5.541 1.441
25 HH2 TRP 2 2HH TRP 2 15.126 -7.203 0.058
26 H CYS 3 HN CYS 3 7.560 -2.180 -3.438
27 HA CYS 3 HA CYS 3 6.266 -1.064 -1.061
28 HB2 CYS 3 2HB CYS 3 6.123 -0.060 -3.918
29 HB3 CYS 3 1HB CYS 3 5.329 0.665 -2.524
30 H PHE 4 HN PHE 4 4.271 -1.787 -0.667
31 HA PHE 4 HA PHE 4 3.177 -3.694 -2.586
32 HB2 PHE 4 2HB PHE 4 1.855 -4.540 -0.602
33 HB3 PHE 4 1HB PHE 4 3.583 -4.864 -0.567
34 HD1 PHE 4 1HD PHE 4 5.018 -3.637 1.049
35 HD2 PHE 4 2HD PHE 4 0.785 -3.147 1.037
36 HE1 PHE 4 1HE PHE 4 5.130 -2.663 3.287
37 HE2 PHE 4 2HE PHE 4 0.902 -2.171 3.279
38 HZ PHE 4 HZ PHE 4 3.077 -1.921 4.410
39 H ARG 5 HN ARG 5 0.883 -3.818 -2.835
40 HA ARG 5 HA ARG 5 -0.266 -1.140 -2.806
41 HB2 ARG 5 2HB ARG 5 -0.187 -2.510 -4.928
42 HB3 ARG 5 1HB ARG 5 -1.328 -3.615 -4.177
43 HG2 ARG 5 2HG ARG 5 -2.948 -1.761 -3.974
44 HG3 ARG 5 1HG ARG 5 -1.808 -0.705 -4.808
45 HD2 ARG 5 2HD ARG 5 -1.851 -2.351 -6.716
46 HD3 ARG 5 1HD ARG 5 -3.174 -3.159 -5.881
47 HE ARG 5 HE ARG 5 -3.436 -0.319 -6.468
48 HH11 ARG 5 1HH1 ARG 5 -4.507 -3.632 -7.176
49 HH12 ARG 5 2HH1 ARG 5 -5.812 -3.142 -8.149
50 HH21 ARG 5 1HH2 ARG 5 -5.251 0.337 -7.789
51 HH22 ARG 5 2HH2 ARG 5 -6.238 -0.855 -8.493
52 H VAL 6 HN VAL 6 -1.776 -0.636 -1.377
53 HA VAL 6 HA VAL 6 -3.130 -2.798 0.058
54 HB VAL 6 HB VAL 6 -2.865 0.116 0.861
55 HG11 VAL 6 1HG1 VAL 6 -4.859 -0.932 1.785
56 HG12 VAL 6 2HG1 VAL 6 -3.689 -0.623 3.063
57 HG13 VAL 6 3HG1 VAL 6 -3.892 -2.253 2.433
58 HG21 VAL 6 1HG2 VAL 6 -0.683 -0.941 0.949
59 HG22 VAL 6 2HG2 VAL 6 -1.341 -2.273 1.897
60 HG23 VAL 6 3HG2 VAL 6 -1.282 -0.649 2.581
61 H CYS 7 HN CYS 7 -5.148 -3.076 -0.618
62 HA CYS 7 HA CYS 7 -6.548 -0.751 -1.684
63 HB2 CYS 7 2HB CYS 7 -6.872 -3.683 -2.301
64 HB3 CYS 7 1HB CYS 7 -8.114 -2.499 -2.702
65 H TYR 8 HN TYR 8 -7.932 0.095 -0.425
66 HA TYR 8 HA TYR 8 -9.357 -1.592 1.494
67 HB2 TYR 8 2HB TYR 8 -7.223 -0.451 2.382
68 HB3 TYR 8 1HB TYR 8 -8.113 1.048 2.206
69 HD1 TYR 8 1HD TYR 8 -7.172 -1.411 4.407
70 HD2 TYR 8 2HD TYR 8 -10.590 0.922 3.407
71 HE1 TYR 8 1HE TYR 8 -8.053 -1.775 6.627
72 HE2 TYR 8 2HE TYR 8 -11.487 0.571 5.648
73 HH TYR 8 HH TYR 8 -11.202 -1.194 7.476
74 H ARG 9 HN ARG 9 -11.384 -1.234 0.925
75 HA ARG 9 HA ARG 9 -13.344 -0.368 0.384
76 HB2 ARG 9 2HB ARG 9 -14.130 1.643 1.487
77 HB3 ARG 9 1HB ARG 9 -13.086 0.763 2.572
78 HG2 ARG 9 2HG ARG 9 -11.294 2.359 2.160
79 HG3 ARG 9 1HG ARG 9 -12.312 3.215 1.009
80 HD2 ARG 9 2HD ARG 9 -13.898 3.752 2.741
81 HD3 ARG 9 1HD ARG 9 -12.981 2.801 3.909
82 HE ARG 9 HE ARG 9 -11.150 4.528 3.179
83 HH11 ARG 9 1HH1 ARG 9 -14.581 5.143 3.887
84 HH12 ARG 9 2HH1 ARG 9 -14.325 6.658 4.596
85 HH21 ARG 9 1HH2 ARG 9 -10.798 6.647 4.176
86 HH22 ARG 9 2HH2 ARG 9 -12.134 7.534 4.750
87 H GLY 10 HN GLY 10 -11.326 -0.116 -1.599
88 HA2 GLY 10 2HA GLY 10 -11.741 0.521 -3.846
89 HA3 GLY 10 1HA GLY 10 -12.690 1.881 -3.256
90 H ILE 11 HN ILE 11 -10.256 2.058 -1.283
91 HA ILE 11 HA ILE 11 -8.800 3.915 -2.980
92 HB ILE 11 HB ILE 11 -8.664 3.487 0.022
93 HG12 ILE 11 2HG1 ILE 11 -10.886 4.268 -0.624
94 HG13 ILE 11 1HG1 ILE 11 -10.018 5.529 0.236
95 HG21 ILE 11 1HG2 ILE 11 -6.637 4.491 -0.885
96 HG22 ILE 11 2HG2 ILE 11 -7.533 5.663 0.083
97 HG23 ILE 11 3HG2 ILE 11 -7.599 5.738 -1.678
98 HD11 ILE 11 1HD1 ILE 11 -11.267 6.440 -1.635
99 HD12 ILE 11 2HD1 ILE 11 -10.443 5.352 -2.747
100 HD13 ILE 11 3HD1 ILE 11 -9.536 6.623 -1.922
101 H CYS 12 HN CYS 12 -7.252 2.852 -4.049
102 HA CYS 12 HA CYS 12 -5.656 0.908 -2.568
103 HB2 CYS 12 2HB CYS 12 -5.931 1.342 -5.540
104 HB3 CYS 12 1HB CYS 12 -4.843 0.179 -4.794
105 H TYR 13 HN TYR 13 -3.619 1.326 -2.147
106 HA TYR 13 HA TYR 13 -2.242 3.412 -3.602
107 HB2 TYR 13 2HB TYR 13 -1.528 4.518 -1.476
108 HB3 TYR 13 1HB TYR 13 -3.239 4.679 -1.840
109 HD1 TYR 13 1HD TYR 13 -4.910 3.534 -0.488
110 HD2 TYR 13 2HD TYR 13 -0.784 3.277 0.459
111 HE1 TYR 13 1HE TYR 13 -5.497 2.757 1.745
112 HE2 TYR 13 2HE TYR 13 -1.351 2.494 2.712
113 HH TYR 13 HH TYR 13 -3.229 2.614 4.279
114 H ARG 14 HN ARG 14 0.072 3.492 -2.900
115 HA ARG 14 HA ARG 14 0.944 0.754 -2.349
116 HB2 ARG 14 2HB ARG 14 2.588 3.007 -3.526
117 HB3 ARG 14 1HB ARG 14 3.029 1.315 -3.441
118 HG2 ARG 14 2HG ARG 14 0.829 2.483 -5.143
119 HG3 ARG 14 1HG ARG 14 2.426 2.006 -5.703
120 HD2 ARG 14 2HD ARG 14 0.360 0.158 -4.503
121 HD3 ARG 14 1HD ARG 14 0.683 0.336 -6.219
122 HE ARG 14 HE ARG 14 2.865 -0.493 -4.470
123 HH11 ARG 14 1HH1 ARG 14 0.607 -1.324 -7.112
124 HH12 ARG 14 2HH1 ARG 14 1.320 -2.839 -7.398
125 HH21 ARG 14 1HH2 ARG 14 3.869 -2.611 -4.957
126 HH22 ARG 14 2HH2 ARG 14 3.216 -3.549 -6.207
127 H LYS 15 HN LYS 15 2.172 0.354 -0.615
128 HA LYS 15 HA LYS 15 3.151 2.643 0.942
129 HB2 LYS 15 2HB LYS 15 2.285 -0.074 1.940
130 HB3 LYS 15 1HB LYS 15 3.146 1.114 2.900
131 HG2 LYS 15 2HG LYS 15 1.237 2.657 2.610
132 HG3 LYS 15 1HG LYS 15 0.381 1.372 1.756
133 HD2 LYS 15 2HD LYS 15 -0.319 1.426 4.110
134 HD3 LYS 15 1HD LYS 15 0.549 -0.061 3.752
135 HE2 LYS 15 2HE LYS 15 2.572 0.834 4.767
136 HE3 LYS 15 1HE LYS 15 1.767 2.377 5.051
137 HZ1 LYS 15 1HZ LYS 15 0.978 -0.225 6.245
138 HZ2 LYS 15 2HZ LYS 15 0.266 1.263 6.570
139 HZ3 LYS 15 3HZ LYS 15 1.867 0.977 7.019
140 H CYS 16 HN CYS 16 5.244 2.559 1.559
141 HA CYS 16 HA CYS 16 6.791 0.250 0.624
142 HB2 CYS 16 2HB CYS 16 7.713 3.131 0.898
143 HB3 CYS 16 1HB CYS 16 8.628 1.797 0.207
144 H ARG 17 HN ARG 17 8.202 -0.608 2.177
145 HA ARG 17 HA ARG 17 7.590 0.154 4.886
146 HB2 ARG 17 2HB ARG 17 8.005 -2.246 4.176
147 HB3 ARG 17 1HB ARG 17 9.701 -1.800 3.994
148 HG2 ARG 17 2HG ARG 17 9.752 -1.141 6.373
149 HG3 ARG 17 1HG ARG 17 8.102 -1.739 6.535
150 HD2 ARG 17 2HD ARG 17 9.560 -3.446 7.320
151 HD3 ARG 17 1HD ARG 17 8.936 -3.962 5.753
152 HE ARG 17 HE ARG 17 11.350 -2.605 5.383
153 HH11 ARG 17 1HH1 ARG 17 10.180 -5.708 6.648
154 HH12 ARG 17 2HH1 ARG 17 11.654 -6.519 6.399
155 HH21 ARG 17 1HH2 ARG 17 13.361 -3.744 5.018
156 HH22 ARG 17 2HH2 ARG 17 13.512 -5.378 5.467
157 HN1 NH2 18 1H ARG 17 8.405 2.040 5.411
158 HN2 NH2 18 2H ARG 17 10.064 2.514 5.297
Start of MODEL 6
1 H1 LYS 1 1HT LYS 1 13.370 -1.257 -3.818
2 H2 LYS 1 2HT LYS 1 13.962 0.239 -3.285
3 H3 LYS 1 3HT LYS 1 12.588 0.147 -4.279
4 HA LYS 1 HA LYS 1 12.771 -1.035 -1.599
5 HB2 LYS 1 2HB LYS 1 11.285 0.782 -0.841
6 HB3 LYS 1 1HB LYS 1 12.819 1.412 -1.400
7 HG2 LYS 1 2HG LYS 1 11.729 2.060 -3.536
8 HG3 LYS 1 1HG LYS 1 10.189 1.499 -2.882
9 HD2 LYS 1 2HD LYS 1 10.350 3.115 -1.066
10 HD3 LYS 1 1HD LYS 1 11.921 3.651 -1.658
11 HE2 LYS 1 2HE LYS 1 10.278 5.244 -2.357
12 HE3 LYS 1 1HE LYS 1 10.804 4.351 -3.777
13 HZ1 LYS 1 1HZ LYS 1 8.260 3.912 -2.281
14 HZ2 LYS 1 2HZ LYS 1 8.756 3.021 -3.634
15 HZ3 LYS 1 3HZ LYS 1 8.443 4.654 -3.778
16 H TRP 2 HN TRP 2 10.898 -2.034 -0.935
17 HA TRP 2 HA TRP 2 9.172 -2.846 -3.112
18 HB2 TRP 2 2HB TRP 2 9.591 -3.918 -0.332
19 HB3 TRP 2 1HB TRP 2 8.302 -4.480 -1.385
20 HD1 TRP 2 1HD TRP 2 12.098 -4.635 -0.953
21 HE1 TRP 2 1HE TRP 2 13.001 -6.544 -2.447
22 HE3 TRP 2 3HE TRP 2 7.824 -5.766 -3.509
23 HZ2 TRP 2 2HZ TRP 2 12.027 -8.277 -4.428
24 HZ3 TRP 2 3HZ TRP 2 7.891 -7.563 -5.188
25 HH2 TRP 2 2HH TRP 2 9.956 -8.792 -5.637
26 H CYS 3 HN CYS 3 7.081 -2.442 -3.179
27 HA CYS 3 HA CYS 3 5.829 -1.054 -0.963
28 HB2 CYS 3 2HB CYS 3 5.649 -0.221 -3.873
29 HB3 CYS 3 1HB CYS 3 4.808 0.519 -2.517
30 H PHE 4 HN PHE 4 3.870 -1.888 -0.610
31 HA PHE 4 HA PHE 4 2.912 -3.736 -2.630
32 HB2 PHE 4 2HB PHE 4 1.581 -4.739 -0.729
33 HB3 PHE 4 1HB PHE 4 3.312 -5.095 -0.763
34 HD1 PHE 4 1HD PHE 4 0.560 -3.748 1.107
35 HD2 PHE 4 2HD PHE 4 4.801 -3.798 0.833
36 HE1 PHE 4 1HE PHE 4 0.719 -2.939 3.416
37 HE2 PHE 4 2HE PHE 4 4.967 -2.986 3.139
38 HZ PHE 4 HZ PHE 4 2.919 -2.556 4.437
39 H ARG 5 HN ARG 5 0.793 -3.851 -3.138
40 HA ARG 5 HA ARG 5 -0.478 -1.276 -2.973
41 HB2 ARG 5 2HB ARG 5 -0.295 -2.199 -5.184
42 HB3 ARG 5 1HB ARG 5 -1.034 -3.704 -4.672
43 HG2 ARG 5 2HG ARG 5 -3.168 -2.615 -4.381
44 HG3 ARG 5 1HG ARG 5 -2.459 -1.045 -4.749
45 HD2 ARG 5 2HD ARG 5 -1.932 -1.808 -7.015
46 HD3 ARG 5 1HD ARG 5 -2.571 -3.404 -6.635
47 HE ARG 5 HE ARG 5 -4.697 -1.943 -6.150
48 HH11 ARG 5 1HH1 ARG 5 -2.440 -1.596 -8.869
49 HH12 ARG 5 2HH1 ARG 5 -3.608 -1.157 -10.006
50 HH21 ARG 5 1HH2 ARG 5 -6.360 -1.336 -7.746
51 HH22 ARG 5 2HH2 ARG 5 -5.896 -1.024 -9.349
52 H VAL 6 HN VAL 6 -1.811 -0.917 -1.364
53 HA VAL 6 HA VAL 6 -3.492 -3.137 -0.433
54 HB VAL 6 HB VAL 6 -2.867 -0.540 1.016
55 HG11 VAL 6 1HG1 VAL 6 -4.292 -3.022 1.984
56 HG12 VAL 6 2HG1 VAL 6 -5.047 -1.474 1.619
57 HG13 VAL 6 3HG1 VAL 6 -3.921 -1.606 2.966
58 HG21 VAL 6 1HG2 VAL 6 -1.790 -3.309 1.531
59 HG22 VAL 6 2HG2 VAL 6 -1.511 -1.895 2.547
60 HG23 VAL 6 3HG2 VAL 6 -0.878 -1.937 0.901
61 H CYS 7 HN CYS 7 -5.537 -2.993 -0.988
62 HA CYS 7 HA CYS 7 -6.556 -0.372 -1.780
63 HB2 CYS 7 2HB CYS 7 -7.497 -3.142 -2.551
64 HB3 CYS 7 1HB CYS 7 -8.269 -1.638 -3.045
65 H TYR 8 HN TYR 8 -7.570 0.512 -0.236
66 HA TYR 8 HA TYR 8 -9.062 -1.171 1.655
67 HB2 TYR 8 2HB TYR 8 -6.996 0.171 2.413
68 HB3 TYR 8 1HB TYR 8 -7.998 1.594 2.184
69 HD1 TYR 8 1HD TYR 8 -9.941 2.011 3.668
70 HD2 TYR 8 2HD TYR 8 -7.379 -1.321 4.242
71 HE1 TYR 8 1HE TYR 8 -10.867 1.696 5.902
72 HE2 TYR 8 2HE TYR 8 -8.284 -1.658 6.467
73 HH TYR 8 HH TYR 8 -11.128 -0.137 7.487
74 H ARG 9 HN ARG 9 -11.132 -1.043 1.127
75 HA ARG 9 HA ARG 9 -13.206 -0.321 0.571
76 HB2 ARG 9 2HB ARG 9 -12.153 2.368 1.478
77 HB3 ARG 9 1HB ARG 9 -13.838 2.034 1.120
78 HG2 ARG 9 2HG ARG 9 -13.859 0.357 2.922
79 HG3 ARG 9 1HG ARG 9 -12.184 0.775 3.293
80 HD2 ARG 9 2HD ARG 9 -13.692 1.913 4.805
81 HD3 ARG 9 1HD ARG 9 -12.882 3.083 3.764
82 HE ARG 9 HE ARG 9 -15.146 2.652 2.425
83 HH11 ARG 9 1HH1 ARG 9 -14.646 3.354 5.879
84 HH12 ARG 9 2HH1 ARG 9 -16.136 4.149 6.055
85 HH21 ARG 9 1HH2 ARG 9 -17.182 3.769 2.711
86 HH22 ARG 9 2HH2 ARG 9 -17.600 4.367 4.248
87 H GLY 10 HN GLY 10 -11.022 -0.283 -1.365
88 HA2 GLY 10 2HA GLY 10 -11.305 -0.041 -3.698
89 HA3 GLY 10 1HA GLY 10 -12.350 1.343 -3.402
90 H ILE 11 HN ILE 11 -10.153 2.133 -1.344
91 HA ILE 11 HA ILE 11 -8.688 3.808 -3.199
92 HB ILE 11 HB ILE 11 -8.443 3.581 -0.182
93 HG12 ILE 11 2HG1 ILE 11 -10.692 4.328 -0.803
94 HG13 ILE 11 1HG1 ILE 11 -9.788 5.636 -0.053
95 HG21 ILE 11 1HG2 ILE 11 -7.413 5.720 -2.041
96 HG22 ILE 11 2HG2 ILE 11 -6.445 4.532 -1.170
97 HG23 ILE 11 3HG2 ILE 11 -7.333 5.768 -0.280
98 HD11 ILE 11 1HD1 ILE 11 -10.301 5.284 -2.994
99 HD12 ILE 11 2HD1 ILE 11 -9.365 6.586 -2.267
100 HD13 ILE 11 3HD1 ILE 11 -11.090 6.441 -1.921
101 H CYS 12 HN CYS 12 -7.008 2.877 -4.200
102 HA CYS 12 HA CYS 12 -5.461 0.887 -2.733
103 HB2 CYS 12 2HB CYS 12 -5.424 1.577 -5.682
104 HB3 CYS 12 1HB CYS 12 -4.507 0.290 -4.910
105 H TYR 13 HN TYR 13 -3.610 1.365 -1.930
106 HA TYR 13 HA TYR 13 -2.100 3.605 -3.032
107 HB2 TYR 13 2HB TYR 13 -1.492 4.313 -0.742
108 HB3 TYR 13 1HB TYR 13 -3.215 4.436 -1.066
109 HD1 TYR 13 1HD TYR 13 -0.643 2.729 0.923
110 HD2 TYR 13 2HD TYR 13 -4.812 2.988 0.082
111 HE1 TYR 13 1HE TYR 13 -1.132 1.502 2.980
112 HE2 TYR 13 2HE TYR 13 -5.309 1.757 2.133
113 HH TYR 13 HH TYR 13 -3.066 1.290 4.567
114 H ARG 14 HN ARG 14 0.183 3.524 -2.443
115 HA ARG 14 HA ARG 14 1.047 0.738 -2.281
116 HB2 ARG 14 2HB ARG 14 2.648 3.137 -3.184
117 HB3 ARG 14 1HB ARG 14 3.118 1.451 -3.304
118 HG2 ARG 14 2HG ARG 14 1.244 1.086 -4.860
119 HG3 ARG 14 1HG ARG 14 0.920 2.823 -4.820
120 HD2 ARG 14 2HD ARG 14 2.255 2.398 -6.747
121 HD3 ARG 14 1HD ARG 14 3.293 3.178 -5.554
122 HE ARG 14 HE ARG 14 3.258 0.266 -5.774
123 HH11 ARG 14 1HH1 ARG 14 5.120 3.282 -6.035
124 HH12 ARG 14 2HH1 ARG 14 6.582 2.498 -6.407
125 HH21 ARG 14 1HH2 ARG 14 5.225 -0.774 -6.289
126 HH22 ARG 14 2HH2 ARG 14 6.642 0.125 -6.590
127 H LYS 15 HN LYS 15 1.734 0.162 -0.387
128 HA LYS 15 HA LYS 15 2.782 2.241 1.388
129 HB2 LYS 15 2HB LYS 15 0.820 0.655 2.033
130 HB3 LYS 15 1HB LYS 15 2.070 -0.569 2.212
131 HG2 LYS 15 2HG LYS 15 3.182 0.762 3.884
132 HG3 LYS 15 1HG LYS 15 2.011 2.060 3.657
133 HD2 LYS 15 2HD LYS 15 0.224 0.447 4.354
134 HD3 LYS 15 1HD LYS 15 1.503 -0.694 4.768
135 HE2 LYS 15 2HE LYS 15 1.129 2.066 5.929
136 HE3 LYS 15 1HE LYS 15 0.758 0.548 6.744
137 HZ1 LYS 15 1HZ LYS 15 3.128 -0.001 6.663
138 HZ2 LYS 15 2HZ LYS 15 2.876 1.460 7.448
139 HZ3 LYS 15 3HZ LYS 15 3.455 1.457 5.883
140 H CYS 16 HN CYS 16 4.939 2.286 1.701
141 HA CYS 16 HA CYS 16 6.483 0.035 0.607
142 HB2 CYS 16 2HB CYS 16 7.332 2.920 0.915
143 HB3 CYS 16 1HB CYS 16 8.190 1.643 0.074
144 H ARG 17 HN ARG 17 8.752 -0.016 1.606
145 HA ARG 17 HA ARG 17 8.618 0.559 4.480
146 HB2 ARG 17 2HB ARG 17 10.341 -1.415 2.959
147 HB3 ARG 17 1HB ARG 17 10.564 -1.032 4.653
148 HG2 ARG 17 2HG ARG 17 8.143 -2.318 3.416
149 HG3 ARG 17 1HG ARG 17 9.379 -3.116 4.392
150 HD2 ARG 17 2HD ARG 17 7.437 -0.990 5.275
151 HD3 ARG 17 1HD ARG 17 7.473 -2.681 5.779
152 HE ARG 17 HE ARG 17 9.858 -1.887 6.571
153 HH11 ARG 17 1HH1 ARG 17 6.678 -0.377 7.055
154 HH12 ARG 17 2HH1 ARG 17 7.146 0.486 8.431
155 HH21 ARG 17 1HH2 ARG 17 10.493 -0.711 8.463
156 HH22 ARG 17 2HH2 ARG 17 9.372 0.292 9.260
157 HN1 NH2 18 1H ARG 17 9.114 2.742 4.078
158 HN2 NH2 18 2H ARG 17 10.718 3.230 3.671
Start of MODEL 7
1 H1 LYS 1 1HT LYS 1 13.305 1.443 -3.690
2 H2 LYS 1 2HT LYS 1 11.846 1.245 -4.544
3 H3 LYS 1 3HT LYS 1 12.877 -0.050 -4.364
4 HA LYS 1 HA LYS 1 12.485 -0.093 -2.002
5 HB2 LYS 1 2HB LYS 1 10.555 2.152 -2.665
6 HB3 LYS 1 1HB LYS 1 10.600 1.291 -1.142
7 HG2 LYS 1 2HG LYS 1 12.906 2.898 -2.217
8 HG3 LYS 1 1HG LYS 1 11.669 3.528 -1.130
9 HD2 LYS 1 2HD LYS 1 12.281 1.855 0.547
10 HD3 LYS 1 1HD LYS 1 13.524 1.222 -0.535
11 HE2 LYS 1 2HE LYS 1 14.713 3.305 -0.473
12 HE3 LYS 1 1HE LYS 1 13.428 4.066 0.460
13 HZ1 LYS 1 1HZ LYS 1 15.299 3.436 1.845
14 HZ2 LYS 1 2HZ LYS 1 15.158 1.833 1.392
15 HZ3 LYS 1 3HZ LYS 1 13.928 2.576 2.285
16 H TRP 2 HN TRP 2 10.874 -1.514 -1.329
17 HA TRP 2 HA TRP 2 9.065 -2.367 -3.431
18 HB2 TRP 2 2HB TRP 2 9.929 -3.724 -0.865
19 HB3 TRP 2 1HB TRP 2 8.736 -4.384 -1.978
20 HD1 TRP 2 1HD TRP 2 9.648 -5.249 -4.372
21 HE1 TRP 2 1HE TRP 2 11.997 -6.068 -5.095
22 HE3 TRP 2 3HE TRP 2 12.397 -3.391 -0.491
23 HZ2 TRP 2 2HZ TRP 2 14.631 -5.941 -4.138
24 HZ3 TRP 2 3HZ TRP 2 14.828 -3.784 -0.470
25 HH2 TRP 2 2HH TRP 2 15.913 -5.036 -2.260
26 H CYS 3 HN CYS 3 7.000 -1.911 -3.293
27 HA CYS 3 HA CYS 3 5.991 -0.945 -0.719
28 HB2 CYS 3 2HB CYS 3 5.252 0.183 -3.423
29 HB3 CYS 3 1HB CYS 3 4.854 0.842 -1.839
30 H PHE 4 HN PHE 4 4.140 -1.830 -0.096
31 HA PHE 4 HA PHE 4 2.968 -3.772 -1.892
32 HB2 PHE 4 2HB PHE 4 1.646 -4.443 0.142
33 HB3 PHE 4 1HB PHE 4 3.374 -4.786 0.205
34 HD1 PHE 4 1HD PHE 4 4.787 -3.515 1.744
35 HD2 PHE 4 2HD PHE 4 0.590 -2.917 1.609
36 HE1 PHE 4 1HE PHE 4 4.887 -2.396 3.909
37 HE2 PHE 4 2HE PHE 4 0.681 -1.779 3.784
38 HZ PHE 4 HZ PHE 4 2.839 -1.519 4.942
39 H ARG 5 HN ARG 5 0.740 -3.884 -2.246
40 HA ARG 5 HA ARG 5 -0.295 -1.165 -2.416
41 HB2 ARG 5 2HB ARG 5 0.185 -2.462 -4.517
42 HB3 ARG 5 1HB ARG 5 -1.103 -3.561 -4.055
43 HG2 ARG 5 2HG ARG 5 -2.697 -1.692 -4.138
44 HG3 ARG 5 1HG ARG 5 -1.392 -0.627 -4.669
45 HD2 ARG 5 2HD ARG 5 -1.020 -2.217 -6.584
46 HD3 ARG 5 1HD ARG 5 -2.490 -3.039 -6.088
47 HE ARG 5 HE ARG 5 -2.550 -0.188 -6.721
48 HH11 ARG 5 1HH1 ARG 5 -3.713 -3.474 -7.386
49 HH12 ARG 5 2HH1 ARG 5 -4.777 -2.991 -8.623
50 HH21 ARG 5 1HH2 ARG 5 -4.011 0.463 -8.454
51 HH22 ARG 5 2HH2 ARG 5 -4.939 -0.727 -9.237
52 H VAL 6 HN VAL 6 -1.648 -0.793 -0.817
53 HA VAL 6 HA VAL 6 -3.352 -2.940 0.187
54 HB VAL 6 HB VAL 6 -3.009 -0.118 1.258
55 HG11 VAL 6 1HG1 VAL 6 -4.332 -2.515 2.544
56 HG12 VAL 6 2HG1 VAL 6 -5.160 -1.108 1.892
57 HG13 VAL 6 3HG1 VAL 6 -4.115 -0.936 3.295
58 HG21 VAL 6 1HG2 VAL 6 -1.662 -1.132 3.040
59 HG22 VAL 6 2HG2 VAL 6 -0.934 -1.349 1.450
60 HG23 VAL 6 3HG2 VAL 6 -1.778 -2.693 2.226
61 H CYS 7 HN CYS 7 -5.409 -3.024 -0.418
62 HA CYS 7 HA CYS 7 -6.563 -0.633 -1.641
63 HB2 CYS 7 2HB CYS 7 -7.270 -3.545 -2.044
64 HB3 CYS 7 1HB CYS 7 -8.186 -2.197 -2.712
65 H TYR 8 HN TYR 8 -7.667 0.399 -0.287
66 HA TYR 8 HA TYR 8 -9.262 -1.035 1.731
67 HB2 TYR 8 2HB TYR 8 -7.087 0.134 2.450
68 HB3 TYR 8 1HB TYR 8 -7.909 1.630 2.076
69 HD1 TYR 8 1HD TYR 8 -7.782 -1.203 4.379
70 HD2 TYR 8 2HD TYR 8 -9.690 2.488 3.500
71 HE1 TYR 8 1HE TYR 8 -8.731 -1.179 6.611
72 HE2 TYR 8 2HE TYR 8 -10.657 2.538 5.740
73 HH TYR 8 HH TYR 8 -9.631 0.498 8.222
74 H ARG 9 HN ARG 9 -11.299 -0.769 0.943
75 HA ARG 9 HA ARG 9 -13.258 0.179 0.296
76 HB2 ARG 9 2HB ARG 9 -11.941 2.761 1.190
77 HB3 ARG 9 1HB ARG 9 -13.621 2.640 0.695
78 HG2 ARG 9 2HG ARG 9 -14.056 1.113 2.551
79 HG3 ARG 9 1HG ARG 9 -12.364 1.233 3.040
80 HD2 ARG 9 2HD ARG 9 -14.315 3.532 2.894
81 HD3 ARG 9 1HD ARG 9 -13.818 2.703 4.369
82 HE ARG 9 HE ARG 9 -11.567 3.658 2.949
83 HH11 ARG 9 1HH1 ARG 9 -14.237 4.895 4.915
84 HH12 ARG 9 2HH1 ARG 9 -13.336 6.166 5.593
85 HH21 ARG 9 1HH2 ARG 9 -10.325 5.410 3.887
86 HH22 ARG 9 2HH2 ARG 9 -11.083 6.453 4.991
87 H GLY 10 HN GLY 10 -11.225 -0.315 -1.542
88 HA2 GLY 10 2HA GLY 10 -11.159 -0.133 -3.851
89 HA3 GLY 10 1HA GLY 10 -12.183 1.294 -3.748
90 H ILE 11 HN ILE 11 -10.024 2.057 -1.572
91 HA ILE 11 HA ILE 11 -8.415 3.547 -3.433
92 HB ILE 11 HB ILE 11 -8.455 3.541 -0.402
93 HG12 ILE 11 2HG1 ILE 11 -10.513 4.425 -1.414
94 HG13 ILE 11 1HG1 ILE 11 -9.602 5.698 -0.617
95 HG21 ILE 11 1HG2 ILE 11 -7.011 5.422 -2.264
96 HG22 ILE 11 2HG2 ILE 11 -6.260 4.179 -1.268
97 HG23 ILE 11 3HG2 ILE 11 -7.076 5.541 -0.502
98 HD11 ILE 11 1HD1 ILE 11 -9.743 5.174 -3.585
99 HD12 ILE 11 2HD1 ILE 11 -8.736 6.401 -2.822
100 HD13 ILE 11 3HD1 ILE 11 -10.491 6.511 -2.707
101 H CYS 12 HN CYS 12 -6.905 2.369 -4.340
102 HA CYS 12 HA CYS 12 -5.335 0.573 -2.673
103 HB2 CYS 12 2HB CYS 12 -5.391 0.909 -5.684
104 HB3 CYS 12 1HB CYS 12 -4.444 -0.286 -4.810
105 H TYR 13 HN TYR 13 -3.472 1.251 -1.955
106 HA TYR 13 HA TYR 13 -1.994 3.274 -3.455
107 HB2 TYR 13 2HB TYR 13 -1.431 4.444 -1.343
108 HB3 TYR 13 1HB TYR 13 -3.162 4.453 -1.651
109 HD1 TYR 13 1HD TYR 13 -0.509 3.280 0.573
110 HD2 TYR 13 2HD TYR 13 -4.682 3.118 -0.244
111 HE1 TYR 13 1HE TYR 13 -0.902 2.377 2.803
112 HE2 TYR 13 2HE TYR 13 -5.096 2.219 1.978
113 HH TYR 13 HH TYR 13 -2.673 2.220 4.416
114 H ARG 14 HN ARG 14 0.303 3.205 -2.960
115 HA ARG 14 HA ARG 14 1.015 0.566 -1.964
116 HB2 ARG 14 2HB ARG 14 3.109 0.743 -3.303
117 HB3 ARG 14 1HB ARG 14 1.642 0.682 -4.258
118 HG2 ARG 14 2HG ARG 14 1.774 3.101 -4.604
119 HG3 ARG 14 1HG ARG 14 3.248 3.151 -3.636
120 HD2 ARG 14 2HD ARG 14 4.354 1.674 -5.220
121 HD3 ARG 14 1HD ARG 14 2.880 1.578 -6.183
122 HE ARG 14 HE ARG 14 3.306 4.190 -6.098
123 HH11 ARG 14 1HH1 ARG 14 5.525 1.515 -6.868
124 HH12 ARG 14 2HH1 ARG 14 6.481 2.421 -7.944
125 HH21 ARG 14 1HH2 ARG 14 4.631 5.433 -7.606
126 HH22 ARG 14 2HH2 ARG 14 5.960 4.700 -8.363
127 H LYS 15 HN LYS 15 1.733 0.520 -0.092
128 HA LYS 15 HA LYS 15 3.051 2.842 1.100
129 HB2 LYS 15 2HB LYS 15 1.084 1.673 2.183
130 HB3 LYS 15 1HB LYS 15 2.106 0.264 2.370
131 HG2 LYS 15 2HG LYS 15 3.566 1.480 3.869
132 HG3 LYS 15 1HG LYS 15 2.626 2.957 3.618
133 HD2 LYS 15 2HD LYS 15 0.628 1.784 4.486
134 HD3 LYS 15 1HD LYS 15 1.632 0.381 4.827
135 HE2 LYS 15 2HE LYS 15 2.970 1.715 6.382
136 HE3 LYS 15 1HE LYS 15 1.985 3.131 6.018
137 HZ1 LYS 15 1HZ LYS 15 1.022 0.624 7.306
138 HZ2 LYS 15 2HZ LYS 15 0.046 1.921 6.883
139 HZ3 LYS 15 3HZ LYS 15 1.215 2.121 8.052
140 H CYS 16 HN CYS 16 5.217 2.705 1.631
141 HA CYS 16 HA CYS 16 6.539 0.412 0.425
142 HB2 CYS 16 2HB CYS 16 7.626 3.138 1.069
143 HB3 CYS 16 1HB CYS 16 8.463 1.865 0.180
144 H ARG 17 HN ARG 17 7.726 -0.955 1.457
145 HA ARG 17 HA ARG 17 8.677 -0.353 4.140
146 HB2 ARG 17 2HB ARG 17 6.502 -1.402 4.426
147 HB3 ARG 17 1HB ARG 17 6.993 -2.766 3.431
148 HG2 ARG 17 2HG ARG 17 7.031 -3.427 5.731
149 HG3 ARG 17 1HG ARG 17 8.697 -3.307 5.172
150 HD2 ARG 17 2HD ARG 17 7.291 -1.089 6.650
151 HD3 ARG 17 1HD ARG 17 8.206 -2.345 7.468
152 HE ARG 17 HE ARG 17 10.053 -1.473 5.843
153 HH11 ARG 17 1HH1 ARG 17 7.700 0.479 7.635
154 HH12 ARG 17 2HH1 ARG 17 8.762 1.772 7.896
155 HH21 ARG 17 1HH2 ARG 17 11.521 0.321 6.209
156 HH22 ARG 17 2HH2 ARG 17 10.997 1.667 7.089
157 HN1 NH2 18 1H ARG 17 8.436 -3.386 2.349
158 HN2 NH2 18 2H ARG 17 10.133 -3.592 2.126
Start of MODEL 8
1 H1 LYS 1 1HT LYS 1 13.681 0.667 -1.036
2 H2 LYS 1 2HT LYS 1 13.099 -0.851 -0.628
3 H3 LYS 1 3HT LYS 1 12.077 0.495 -0.605
4 HA LYS 1 HA LYS 1 12.286 0.789 -2.954
5 HB2 LYS 1 2HB LYS 1 14.607 -0.161 -3.090
6 HB3 LYS 1 1HB LYS 1 13.921 -1.764 -2.897
7 HG2 LYS 1 2HG LYS 1 12.692 -1.487 -4.998
8 HG3 LYS 1 1HG LYS 1 13.398 0.117 -5.191
9 HD2 LYS 1 2HD LYS 1 15.643 -0.897 -5.215
10 HD3 LYS 1 1HD LYS 1 14.908 -2.495 -5.073
11 HE2 LYS 1 2HE LYS 1 13.739 -2.138 -7.201
12 HE3 LYS 1 1HE LYS 1 14.485 -0.545 -7.339
13 HZ1 LYS 1 1HZ LYS 1 15.687 -2.129 -8.653
14 HZ2 LYS 1 2HZ LYS 1 15.901 -3.155 -7.329
15 HZ3 LYS 1 3HZ LYS 1 16.655 -1.649 -7.355
16 H TRP 2 HN TRP 2 11.537 -1.927 -0.844
17 HA TRP 2 HA TRP 2 9.775 -3.085 -2.789
18 HB2 TRP 2 2HB TRP 2 10.202 -3.736 0.125
19 HB3 TRP 2 1HB TRP 2 9.102 -4.604 -0.936
20 HD1 TRP 2 1HD TRP 2 10.614 -5.364 -3.368
21 HE1 TRP 2 1HE TRP 2 12.779 -6.757 -3.330
22 HE3 TRP 2 3HE TRP 2 12.043 -4.471 1.444
23 HZ2 TRP 2 2HZ TRP 2 14.812 -7.398 -1.483
24 HZ3 TRP 2 3HZ TRP 2 14.101 -5.510 2.272
25 HH2 TRP 2 2HH TRP 2 15.455 -6.946 0.839
26 H CYS 3 HN CYS 3 7.704 -2.742 -3.033
27 HA CYS 3 HA CYS 3 6.256 -1.213 -1.027
28 HB2 CYS 3 2HB CYS 3 6.299 -0.571 -3.984
29 HB3 CYS 3 1HB CYS 3 5.382 0.266 -2.741
30 H PHE 4 HN PHE 4 4.016 -1.634 -1.090
31 HA PHE 4 HA PHE 4 3.101 -3.573 -3.047
32 HB2 PHE 4 2HB PHE 4 1.839 -4.735 -1.216
33 HB3 PHE 4 1HB PHE 4 3.597 -4.965 -1.203
34 HD1 PHE 4 1HD PHE 4 4.950 -3.855 0.545
35 HD2 PHE 4 2HD PHE 4 0.700 -3.728 0.595
36 HE1 PHE 4 1HE PHE 4 4.997 -3.193 2.917
37 HE2 PHE 4 2HE PHE 4 0.748 -3.066 2.957
38 HZ PHE 4 HZ PHE 4 2.905 -2.794 4.116
39 H ARG 5 HN ARG 5 0.743 -3.710 -3.151
40 HA ARG 5 HA ARG 5 -0.346 -1.029 -2.789
41 HB2 ARG 5 2HB ARG 5 -0.246 -1.946 -5.085
42 HB3 ARG 5 1HB ARG 5 -1.259 -3.286 -4.575
43 HG2 ARG 5 2HG ARG 5 -3.010 -1.593 -3.970
44 HG3 ARG 5 1HG ARG 5 -2.009 -0.387 -4.781
45 HD2 ARG 5 2HD ARG 5 -3.680 -1.193 -6.310
46 HD3 ARG 5 1HD ARG 5 -2.096 -1.768 -6.838
47 HE ARG 5 HE ARG 5 -2.933 -3.837 -5.388
48 HH11 ARG 5 1HH1 ARG 5 -4.662 -1.983 -7.872
49 HH12 ARG 5 2HH1 ARG 5 -5.673 -3.284 -8.296
50 HH21 ARG 5 1HH2 ARG 5 -4.286 -5.605 -6.019
51 HH22 ARG 5 2HH2 ARG 5 -5.449 -5.374 -7.251
52 H VAL 6 HN VAL 6 -1.945 -0.745 -1.343
53 HA VAL 6 HA VAL 6 -3.377 -3.121 -0.381
54 HB VAL 6 HB VAL 6 -2.787 -0.526 1.113
55 HG11 VAL 6 1HG1 VAL 6 -3.887 -1.558 3.060
56 HG12 VAL 6 2HG1 VAL 6 -4.313 -2.956 2.083
57 HG13 VAL 6 3HG1 VAL 6 -5.010 -1.382 1.716
58 HG21 VAL 6 1HG2 VAL 6 -1.829 -3.340 1.601
59 HG22 VAL 6 2HG2 VAL 6 -1.514 -1.957 2.646
60 HG23 VAL 6 3HG2 VAL 6 -0.858 -1.992 1.008
61 H CYS 7 HN CYS 7 -5.589 -3.028 -0.633
62 HA CYS 7 HA CYS 7 -6.634 -0.486 -1.612
63 HB2 CYS 7 2HB CYS 7 -7.626 -3.300 -2.083
64 HB3 CYS 7 1HB CYS 7 -8.459 -1.845 -2.625
65 H TYR 8 HN TYR 8 -7.540 0.562 -0.139
66 HA TYR 8 HA TYR 8 -8.891 -0.885 2.012
67 HB2 TYR 8 2HB TYR 8 -6.758 0.453 2.498
68 HB3 TYR 8 1HB TYR 8 -7.716 1.885 2.151
69 HD1 TYR 8 1HD TYR 8 -7.281 -0.952 4.431
70 HD2 TYR 8 2HD TYR 8 -9.281 2.731 3.762
71 HE1 TYR 8 1HE TYR 8 -8.000 -0.947 6.746
72 HE2 TYR 8 2HE TYR 8 -10.028 2.758 6.085
73 HH TYR 8 HH TYR 8 -10.383 1.250 7.881
74 H ARG 9 HN ARG 9 -10.906 -0.901 1.242
75 HA ARG 9 HA ARG 9 -13.049 -0.205 0.946
76 HB2 ARG 9 2HB ARG 9 -12.011 2.547 1.684
77 HB3 ARG 9 1HB ARG 9 -13.699 2.087 1.600
78 HG2 ARG 9 2HG ARG 9 -11.713 0.861 3.510
79 HG3 ARG 9 1HG ARG 9 -12.741 2.229 3.909
80 HD2 ARG 9 2HD ARG 9 -13.706 0.228 4.792
81 HD3 ARG 9 1HD ARG 9 -14.729 0.800 3.482
82 HE ARG 9 HE ARG 9 -12.921 -1.151 2.511
83 HH11 ARG 9 1HH1 ARG 9 -15.659 -0.990 4.732
84 HH12 ARG 9 2HH1 ARG 9 -16.299 -2.496 4.287
85 HH21 ARG 9 1HH2 ARG 9 -13.749 -3.245 1.933
86 HH22 ARG 9 2HH2 ARG 9 -15.164 -3.832 2.682
87 H GLY 10 HN GLY 10 -11.134 -0.294 -1.182
88 HA2 GLY 10 2HA GLY 10 -11.642 -0.069 -3.489
89 HA3 GLY 10 1HA GLY 10 -12.570 1.378 -3.118
90 H ILE 11 HN ILE 11 -10.291 2.216 -1.345
91 HA ILE 11 HA ILE 11 -8.862 3.653 -3.400
92 HB ILE 11 HB ILE 11 -8.568 3.748 -0.382
93 HG12 ILE 11 2HG1 ILE 11 -10.817 4.438 -1.040
94 HG13 ILE 11 1HG1 ILE 11 -9.892 5.823 -0.477
95 HG21 ILE 11 1HG2 ILE 11 -7.554 5.674 -2.471
96 HG22 ILE 11 2HG2 ILE 11 -6.573 4.568 -1.511
97 HG23 ILE 11 3HG2 ILE 11 -7.435 5.893 -0.726
98 HD11 ILE 11 1HD1 ILE 11 -9.529 6.505 -2.805
99 HD12 ILE 11 2HD1 ILE 11 -11.240 6.402 -2.396
100 HD13 ILE 11 3HD1 ILE 11 -10.486 5.125 -3.350
101 H CYS 12 HN CYS 12 -7.291 2.552 -4.361
102 HA CYS 12 HA CYS 12 -5.682 0.701 -2.783
103 HB2 CYS 12 2HB CYS 12 -5.835 1.102 -5.777
104 HB3 CYS 12 1HB CYS 12 -4.874 -0.113 -4.939
105 H TYR 13 HN TYR 13 -3.909 1.404 -1.985
106 HA TYR 13 HA TYR 13 -2.461 3.481 -3.425
107 HB2 TYR 13 2HB TYR 13 -1.846 4.498 -1.255
108 HB3 TYR 13 1HB TYR 13 -3.574 4.544 -1.578
109 HD1 TYR 13 1HD TYR 13 -5.134 3.343 -0.161
110 HD2 TYR 13 2HD TYR 13 -0.948 3.075 0.520
111 HE1 TYR 13 1HE TYR 13 -5.556 2.375 2.047
112 HE2 TYR 13 2HE TYR 13 -1.365 2.109 2.723
113 HH TYR 13 HH TYR 13 -3.106 2.050 4.384
114 H ARG 14 HN ARG 14 -0.187 3.559 -2.841
115 HA ARG 14 HA ARG 14 0.796 0.832 -2.457
116 HB2 ARG 14 2HB ARG 14 1.385 1.946 -4.554
117 HB3 ARG 14 1HB ARG 14 2.150 3.248 -3.654
118 HG2 ARG 14 2HG ARG 14 3.725 1.572 -2.721
119 HG3 ARG 14 1HG ARG 14 3.019 0.369 -3.808
120 HD2 ARG 14 2HD ARG 14 5.017 1.298 -4.814
121 HD3 ARG 14 1HD ARG 14 3.595 1.819 -5.718
122 HE ARG 14 HE ARG 14 4.580 3.594 -3.643
123 HH11 ARG 14 1HH1 ARG 14 4.422 2.900 -7.114
124 HH12 ARG 14 2HH1 ARG 14 4.851 4.474 -7.580
125 HH21 ARG 14 1HH2 ARG 14 5.140 5.747 -4.284
126 HH22 ARG 14 2HH2 ARG 14 5.239 6.154 -5.924
127 H LYS 15 HN LYS 15 1.901 0.335 -0.717
128 HA LYS 15 HA LYS 15 2.874 2.475 1.053
129 HB2 LYS 15 2HB LYS 15 2.276 -0.434 1.621
130 HB3 LYS 15 1HB LYS 15 2.981 0.691 2.767
131 HG2 LYS 15 2HG LYS 15 0.952 2.011 2.753
132 HG3 LYS 15 1HG LYS 15 0.253 0.945 1.533
133 HD2 LYS 15 2HD LYS 15 -0.607 0.351 3.732
134 HD3 LYS 15 1HD LYS 15 0.410 -0.937 3.105
135 HE2 LYS 15 2HE LYS 15 0.883 -0.598 5.454
136 HE3 LYS 15 1HE LYS 15 2.277 -0.121 4.499
137 HZ1 LYS 15 1HZ LYS 15 0.259 1.694 5.693
138 HZ2 LYS 15 2HZ LYS 15 1.546 2.198 4.742
139 HZ3 LYS 15 3HZ LYS 15 1.847 1.486 6.236
140 H CYS 16 HN CYS 16 5.030 2.656 1.209
141 HA CYS 16 HA CYS 16 6.588 0.443 0.152
142 HB2 CYS 16 2HB CYS 16 7.290 3.374 0.378
143 HB3 CYS 16 1HB CYS 16 8.444 2.125 -0.087
144 H ARG 17 HN ARG 17 7.744 -0.699 1.416
145 HA ARG 17 HA ARG 17 7.621 -0.075 4.239
146 HB2 ARG 17 2HB ARG 17 8.231 -2.473 4.562
147 HB3 ARG 17 1HB ARG 17 6.761 -2.242 3.638
148 HG2 ARG 17 2HG ARG 17 8.163 -2.581 1.554
149 HG3 ARG 17 1HG ARG 17 9.471 -3.074 2.621
150 HD2 ARG 17 2HD ARG 17 6.762 -4.372 2.356
151 HD3 ARG 17 1HD ARG 17 8.295 -5.011 1.779
152 HE ARG 17 HE ARG 17 8.612 -4.616 4.462
153 HH11 ARG 17 1HH1 ARG 17 6.553 -6.611 2.369
154 HH12 ARG 17 2HH1 ARG 17 6.254 -7.806 3.549
155 HH21 ARG 17 1HH2 ARG 17 8.164 -6.287 6.096
156 HH22 ARG 17 2HH2 ARG 17 7.186 -7.615 5.693
157 HN1 NH2 18 1H ARG 17 9.181 1.327 4.662
158 HN2 NH2 18 2H ARG 17 10.870 1.051 4.403
Start of MODEL 9
1 H1 LYS 1 1HT LYS 1 11.761 0.361 -4.122
2 H2 LYS 1 2HT LYS 1 12.616 -1.079 -4.281
3 H3 LYS 1 3HT LYS 1 13.401 0.277 -3.672
4 HA LYS 1 HA LYS 1 12.833 -1.320 -1.963
5 HB2 LYS 1 2HB LYS 1 11.117 1.178 -1.840
6 HB3 LYS 1 1HB LYS 1 11.475 0.137 -0.478
7 HG2 LYS 1 2HG LYS 1 13.454 1.801 -2.028
8 HG3 LYS 1 1HG LYS 1 12.846 2.122 -0.404
9 HD2 LYS 1 2HD LYS 1 13.816 -0.060 0.314
10 HD3 LYS 1 1HD LYS 1 14.547 -0.213 -1.276
11 HE2 LYS 1 2HE LYS 1 16.209 0.661 0.222
12 HE3 LYS 1 1HE LYS 1 15.727 1.939 -0.886
13 HZ1 LYS 1 1HZ LYS 1 14.793 1.643 1.924
14 HZ2 LYS 1 2HZ LYS 1 14.292 2.842 0.855
15 HZ3 LYS 1 3HZ LYS 1 15.890 2.780 1.340
16 H TRP 2 HN TRP 2 11.123 -2.349 -0.753
17 HA TRP 2 HA TRP 2 9.163 -3.471 -2.471
18 HB2 TRP 2 2HB TRP 2 10.234 -4.850 -0.778
19 HB3 TRP 2 1HB TRP 2 9.639 -3.790 0.493
20 HD1 TRP 2 1HD TRP 2 7.333 -4.293 1.456
21 HE1 TRP 2 1HE TRP 2 5.459 -6.032 0.948
22 HE3 TRP 2 3HE TRP 2 9.136 -6.182 -2.917
23 HZ2 TRP 2 2HZ TRP 2 4.860 -7.915 -1.031
24 HZ3 TRP 2 3HZ TRP 2 7.850 -7.945 -4.061
25 HH2 TRP 2 2HH TRP 2 5.764 -8.790 -3.135
26 H CYS 3 HN CYS 3 7.430 -2.523 -3.002
27 HA CYS 3 HA CYS 3 5.895 -1.106 -0.966
28 HB2 CYS 3 2HB CYS 3 6.214 -0.260 -3.856
29 HB3 CYS 3 1HB CYS 3 5.251 0.554 -2.630
30 H PHE 4 HN PHE 4 3.884 -1.839 -0.892
31 HA PHE 4 HA PHE 4 3.064 -3.622 -3.044
32 HB2 PHE 4 2HB PHE 4 1.664 -4.722 -1.253
33 HB3 PHE 4 1HB PHE 4 3.396 -5.070 -1.229
34 HD1 PHE 4 1HD PHE 4 0.562 -3.832 0.606
35 HD2 PHE 4 2HD PHE 4 4.807 -3.848 0.511
36 HE1 PHE 4 1HE PHE 4 0.618 -3.171 2.975
37 HE2 PHE 4 2HE PHE 4 4.871 -3.178 2.873
38 HZ PHE 4 HZ PHE 4 2.775 -2.841 4.112
39 H ARG 5 HN ARG 5 0.936 -3.705 -3.613
40 HA ARG 5 HA ARG 5 -0.369 -1.179 -3.392
41 HB2 ARG 5 2HB ARG 5 -0.434 -2.361 -5.537
42 HB3 ARG 5 1HB ARG 5 -1.233 -3.730 -4.778
43 HG2 ARG 5 2HG ARG 5 -3.157 -2.226 -4.246
44 HG3 ARG 5 1HG ARG 5 -2.367 -0.966 -5.190
45 HD2 ARG 5 2HD ARG 5 -3.182 -3.678 -6.246
46 HD3 ARG 5 1HD ARG 5 -4.106 -2.196 -6.455
47 HE ARG 5 HE ARG 5 -1.631 -1.630 -7.449
48 HH11 ARG 5 1HH1 ARG 5 -4.121 -4.068 -8.167
49 HH12 ARG 5 2HH1 ARG 5 -3.716 -4.162 -9.822
50 HH21 ARG 5 1HH2 ARG 5 -1.110 -1.791 -9.756
51 HH22 ARG 5 2HH2 ARG 5 -2.020 -2.857 -10.724
52 H VAL 6 HN VAL 6 -1.638 -0.687 -1.783
53 HA VAL 6 HA VAL 6 -3.068 -2.829 -0.373
54 HB VAL 6 HB VAL 6 -2.523 0.008 0.560
55 HG11 VAL 6 1HG1 VAL 6 -4.547 -0.937 1.528
56 HG12 VAL 6 2HG1 VAL 6 -3.288 -0.793 2.753
57 HG13 VAL 6 3HG1 VAL 6 -3.652 -2.367 2.046
58 HG21 VAL 6 1HG2 VAL 6 -1.190 -2.554 1.404
59 HG22 VAL 6 2HG2 VAL 6 -0.931 -0.968 2.133
60 HG23 VAL 6 3HG2 VAL 6 -0.455 -1.261 0.458
61 H CYS 7 HN CYS 7 -5.137 -2.925 -0.894
62 HA CYS 7 HA CYS 7 -6.422 -0.450 -1.726
63 HB2 CYS 7 2HB CYS 7 -7.128 -3.328 -2.331
64 HB3 CYS 7 1HB CYS 7 -8.199 -1.972 -2.670
65 H TYR 8 HN TYR 8 -7.335 0.450 -0.175
66 HA TYR 8 HA TYR 8 -8.475 -1.184 1.969
67 HB2 TYR 8 2HB TYR 8 -6.467 0.329 2.425
68 HB3 TYR 8 1HB TYR 8 -7.552 1.676 2.131
69 HD1 TYR 8 1HD TYR 8 -6.542 -0.924 4.419
70 HD2 TYR 8 2HD TYR 8 -9.405 2.135 3.730
71 HE1 TYR 8 1HE TYR 8 -7.177 -1.021 6.753
72 HE2 TYR 8 2HE TYR 8 -10.061 2.052 6.098
73 HH TYR 8 HH TYR 8 -8.211 0.424 8.432
74 H ARG 9 HN ARG 9 -10.517 -1.361 1.202
75 HA ARG 9 HA ARG 9 -12.674 -0.848 0.825
76 HB2 ARG 9 2HB ARG 9 -11.973 1.777 2.170
77 HB3 ARG 9 1HB ARG 9 -13.599 1.145 1.937
78 HG2 ARG 9 2HG ARG 9 -13.029 -0.782 3.368
79 HG3 ARG 9 1HG ARG 9 -11.434 -0.088 3.628
80 HD2 ARG 9 2HD ARG 9 -12.856 0.429 5.506
81 HD3 ARG 9 1HD ARG 9 -12.497 1.906 4.616
82 HE ARG 9 HE ARG 9 -14.885 0.799 3.661
83 HH11 ARG 9 1HH1 ARG 9 -13.640 2.467 6.518
84 HH12 ARG 9 2HH1 ARG 9 -15.137 3.156 6.939
85 HH21 ARG 9 1HH2 ARG 9 -16.944 1.714 4.258
86 HH22 ARG 9 2HH2 ARG 9 -17.079 2.698 5.639
87 H GLY 10 HN GLY 10 -10.836 -0.369 -1.227
88 HA2 GLY 10 2HA GLY 10 -11.381 0.292 -3.450
89 HA3 GLY 10 1HA GLY 10 -12.335 1.610 -2.786
90 H ILE 11 HN ILE 11 -10.000 2.116 -0.894
91 HA ILE 11 HA ILE 11 -8.666 3.997 -2.635
92 HB ILE 11 HB ILE 11 -8.092 3.403 0.288
93 HG12 ILE 11 2HG1 ILE 11 -10.441 4.077 0.078
94 HG13 ILE 11 1HG1 ILE 11 -9.506 5.346 0.855
95 HG21 ILE 11 1HG2 ILE 11 -7.113 5.656 0.341
96 HG22 ILE 11 2HG2 ILE 11 -7.436 5.826 -1.384
97 HG23 ILE 11 3HG2 ILE 11 -6.296 4.608 -0.819
98 HD11 ILE 11 1HD1 ILE 11 -10.416 5.305 -2.012
99 HD12 ILE 11 2HD1 ILE 11 -9.464 6.585 -1.252
100 HD13 ILE 11 3HD1 ILE 11 -11.107 6.261 -0.702
101 H CYS 12 HN CYS 12 -7.284 2.944 -3.975
102 HA CYS 12 HA CYS 12 -5.481 0.950 -2.826
103 HB2 CYS 12 2HB CYS 12 -6.094 1.601 -5.708
104 HB3 CYS 12 1HB CYS 12 -4.959 0.364 -5.174
105 H TYR 13 HN TYR 13 -3.499 1.407 -2.377
106 HA TYR 13 HA TYR 13 -2.087 3.478 -3.860
107 HB2 TYR 13 2HB TYR 13 -1.242 4.499 -1.758
108 HB3 TYR 13 1HB TYR 13 -2.977 4.677 -1.968
109 HD1 TYR 13 1HD TYR 13 -4.541 3.424 -0.523
110 HD2 TYR 13 2HD TYR 13 -0.330 3.225 0.118
111 HE1 TYR 13 1HE TYR 13 -4.920 2.558 1.740
112 HE2 TYR 13 2HE TYR 13 -0.713 2.366 2.358
113 HH TYR 13 HH TYR 13 -2.480 2.464 4.037
114 H ARG 14 HN ARG 14 0.291 3.476 -3.188
115 HA ARG 14 HA ARG 14 1.103 0.696 -2.802
116 HB2 ARG 14 2HB ARG 14 2.534 3.020 -4.116
117 HB3 ARG 14 1HB ARG 14 3.353 1.540 -3.676
118 HG2 ARG 14 2HG ARG 14 2.822 1.569 -6.045
119 HG3 ARG 14 1HG ARG 14 1.946 0.288 -5.228
120 HD2 ARG 14 2HD ARG 14 0.606 1.539 -6.913
121 HD3 ARG 14 1HD ARG 14 -0.092 1.532 -5.295
122 HE ARG 14 HE ARG 14 1.496 3.826 -5.629
123 HH11 ARG 14 1HH1 ARG 14 -1.589 2.512 -6.810
124 HH12 ARG 14 2HH1 ARG 14 -2.326 4.032 -6.974
125 HH21 ARG 14 1HH2 ARG 14 0.442 5.886 -5.795
126 HH22 ARG 14 2HH2 ARG 14 -1.157 6.003 -6.355
127 H LYS 15 HN LYS 15 1.666 0.262 -0.874
128 HA LYS 15 HA LYS 15 2.607 2.398 0.872
129 HB2 LYS 15 2HB LYS 15 0.671 1.040 1.578
130 HB3 LYS 15 1HB LYS 15 1.664 -0.398 1.482
131 HG2 LYS 15 2HG LYS 15 3.071 0.405 3.275
132 HG3 LYS 15 1HG LYS 15 2.154 1.913 3.344
133 HD2 LYS 15 2HD LYS 15 0.157 0.717 3.974
134 HD3 LYS 15 1HD LYS 15 0.985 -0.828 3.794
135 HE2 LYS 15 2HE LYS 15 2.526 -0.183 5.587
136 HE3 LYS 15 1HE LYS 15 1.674 1.348 5.762
137 HZ1 LYS 15 1HZ LYS 15 -0.319 0.120 6.390
138 HZ2 LYS 15 2HZ LYS 15 0.956 -0.248 7.422
139 HZ3 LYS 15 3HZ LYS 15 0.501 -1.347 6.234
140 H CYS 16 HN CYS 16 4.689 2.553 1.138
141 HA CYS 16 HA CYS 16 6.396 0.223 0.646
142 HB2 CYS 16 2HB CYS 16 7.159 3.139 0.958
143 HB3 CYS 16 1HB CYS 16 8.207 1.829 0.435
144 H ARG 17 HN ARG 17 7.831 -0.404 2.306
145 HA ARG 17 HA ARG 17 6.912 0.322 4.944
146 HB2 ARG 17 2HB ARG 17 9.224 -1.459 4.162
147 HB3 ARG 17 1HB ARG 17 8.547 -1.309 5.771
148 HG2 ARG 17 2HG ARG 17 6.416 -2.243 4.908
149 HG3 ARG 17 1HG ARG 17 7.202 -2.479 3.345
150 HD2 ARG 17 2HD ARG 17 8.027 -3.714 5.970
151 HD3 ARG 17 1HD ARG 17 7.257 -4.547 4.619
152 HE ARG 17 HE ARG 17 9.504 -3.433 3.561
153 HH11 ARG 17 1HH1 ARG 17 8.911 -5.670 6.226
154 HH12 ARG 17 2HH1 ARG 17 10.406 -6.467 6.102
155 HH21 ARG 17 1HH2 ARG 17 11.590 -4.491 3.381
156 HH22 ARG 17 2HH2 ARG 17 11.971 -5.786 4.404
157 HN1 NH2 18 1H ARG 17 7.443 2.431 5.202
158 HN2 NH2 18 2H ARG 17 9.066 3.020 5.295
Start of MODEL 10
1 H1 LYS 1 1HT LYS 1 14.001 -0.412 -1.085
2 H2 LYS 1 2HT LYS 1 12.654 -1.299 -0.546
3 H3 LYS 1 3HT LYS 1 12.431 0.167 -1.303
4 HA LYS 1 HA LYS 1 13.181 -0.599 -3.345
5 HB2 LYS 1 2HB LYS 1 13.779 -3.103 -1.804
6 HB3 LYS 1 1HB LYS 1 13.542 -3.153 -3.538
7 HG2 LYS 1 2HG LYS 1 15.607 -1.444 -2.153
8 HG3 LYS 1 1HG LYS 1 15.932 -3.034 -2.834
9 HD2 LYS 1 2HD LYS 1 14.948 -0.620 -4.365
10 HD3 LYS 1 1HD LYS 1 16.607 -1.209 -4.330
11 HE2 LYS 1 2HE LYS 1 15.902 -3.312 -5.364
12 HE3 LYS 1 1HE LYS 1 14.226 -2.764 -5.368
13 HZ1 LYS 1 1HZ LYS 1 14.878 -0.978 -6.862
14 HZ2 LYS 1 2HZ LYS 1 15.249 -2.493 -7.505
15 HZ3 LYS 1 3HZ LYS 1 16.471 -1.543 -6.864
16 H TRP 2 HN TRP 2 11.458 -3.035 -1.367
17 HA TRP 2 HA TRP 2 9.524 -3.354 -3.446
18 HB2 TRP 2 2HB TRP 2 9.711 -4.530 -0.671
19 HB3 TRP 2 1HB TRP 2 8.448 -4.930 -1.825
20 HD1 TRP 2 1HD TRP 2 9.119 -6.455 -3.903
21 HE1 TRP 2 1HE TRP 2 11.143 -7.988 -4.342
22 HE3 TRP 2 3HE TRP 2 12.241 -4.795 -0.199
23 HZ2 TRP 2 2HZ TRP 2 13.702 -8.442 -3.260
24 HZ3 TRP 2 3HZ TRP 2 14.449 -5.835 0.021
25 HH2 TRP 2 2HH TRP 2 15.159 -7.623 -1.477
26 H CYS 3 HN CYS 3 7.496 -2.667 -3.523
27 HA CYS 3 HA CYS 3 6.363 -1.258 -1.232
28 HB2 CYS 3 2HB CYS 3 6.240 -0.346 -4.125
29 HB3 CYS 3 1HB CYS 3 5.328 0.372 -2.809
30 H PHE 4 HN PHE 4 4.106 -1.538 -1.090
31 HA PHE 4 HA PHE 4 3.037 -3.490 -2.964
32 HB2 PHE 4 2HB PHE 4 1.731 -4.420 -1.012
33 HB3 PHE 4 1HB PHE 4 3.452 -4.795 -1.024
34 HD1 PHE 4 1HD PHE 4 4.961 -3.525 0.542
35 HD2 PHE 4 2HD PHE 4 0.722 -3.287 0.792
36 HE1 PHE 4 1HE PHE 4 5.155 -2.675 2.832
37 HE2 PHE 4 2HE PHE 4 0.910 -2.429 3.083
38 HZ PHE 4 HZ PHE 4 3.126 -2.122 4.111
39 H ARG 5 HN ARG 5 0.754 -3.500 -3.129
40 HA ARG 5 HA ARG 5 -0.256 -0.776 -2.947
41 HB2 ARG 5 2HB ARG 5 -0.289 -1.838 -5.145
42 HB3 ARG 5 1HB ARG 5 -1.251 -3.162 -4.511
43 HG2 ARG 5 2HG ARG 5 -3.089 -1.596 -4.063
44 HG3 ARG 5 1HG ARG 5 -2.118 -0.283 -4.738
45 HD2 ARG 5 2HD ARG 5 -3.694 -1.135 -6.396
46 HD3 ARG 5 1HD ARG 5 -2.033 -1.457 -6.884
47 HE ARG 5 HE ARG 5 -3.324 -3.602 -5.452
48 HH11 ARG 5 1HH1 ARG 5 -2.612 -2.269 -8.651
49 HH12 ARG 5 2HH1 ARG 5 -2.895 -3.739 -9.472
50 HH21 ARG 5 1HH2 ARG 5 -3.673 -5.575 -6.555
51 HH22 ARG 5 2HH2 ARG 5 -3.512 -5.678 -8.250
52 H VAL 6 HN VAL 6 -1.577 -0.320 -1.333
53 HA VAL 6 HA VAL 6 -2.959 -2.518 -0.001
54 HB VAL 6 HB VAL 6 -2.602 0.351 0.921
55 HG11 VAL 6 1HG1 VAL 6 -3.610 -2.064 2.437
56 HG12 VAL 6 2HG1 VAL 6 -4.602 -0.735 1.845
57 HG13 VAL 6 3HG1 VAL 6 -3.398 -0.442 3.095
58 HG21 VAL 6 1HG2 VAL 6 -0.990 -0.533 2.541
59 HG22 VAL 6 2HG2 VAL 6 -0.460 -0.799 0.878
60 HG23 VAL 6 3HG2 VAL 6 -1.143 -2.131 1.811
61 H CYS 7 HN CYS 7 -5.004 -2.748 -0.500
62 HA CYS 7 HA CYS 7 -6.436 -0.447 -1.564
63 HB2 CYS 7 2HB CYS 7 -6.911 -3.413 -1.919
64 HB3 CYS 7 1HB CYS 7 -8.010 -2.161 -2.492
65 H TYR 8 HN TYR 8 -7.510 0.493 -0.122
66 HA TYR 8 HA TYR 8 -8.682 -1.088 2.053
67 HB2 TYR 8 2HB TYR 8 -6.674 0.429 2.566
68 HB3 TYR 8 1HB TYR 8 -7.745 1.775 2.218
69 HD1 TYR 8 1HD TYR 8 -9.607 2.295 3.756
70 HD2 TYR 8 2HD TYR 8 -6.866 -0.841 4.558
71 HE1 TYR 8 1HE TYR 8 -10.347 2.240 6.088
72 HE2 TYR 8 2HE TYR 8 -7.593 -0.916 6.874
73 HH TYR 8 HH TYR 8 -10.402 0.593 7.954
74 H ARG 9 HN ARG 9 -10.762 -1.205 1.450
75 HA ARG 9 HA ARG 9 -12.899 -0.640 1.016
76 HB2 ARG 9 2HB ARG 9 -11.975 2.121 1.846
77 HB3 ARG 9 1HB ARG 9 -13.652 1.692 1.562
78 HG2 ARG 9 2HG ARG 9 -11.881 0.449 3.670
79 HG3 ARG 9 1HG ARG 9 -13.053 1.734 3.961
80 HD2 ARG 9 2HD ARG 9 -14.849 0.254 3.194
81 HD3 ARG 9 1HD ARG 9 -13.678 -1.033 2.925
82 HE ARG 9 HE ARG 9 -13.315 -0.348 5.522
83 HH11 ARG 9 1HH1 ARG 9 -16.182 -1.279 3.652
84 HH12 ARG 9 2HH1 ARG 9 -16.956 -2.078 4.938
85 HH21 ARG 9 1HH2 ARG 9 -14.373 -1.485 7.303
86 HH22 ARG 9 2HH2 ARG 9 -15.889 -2.224 7.048
87 H GLY 10 HN GLY 10 -10.986 -0.690 -1.077
88 HA2 GLY 10 2HA GLY 10 -11.464 -0.559 -3.385
89 HA3 GLY 10 1HA GLY 10 -12.522 0.807 -3.061
90 H ILE 11 HN ILE 11 -10.308 1.887 -1.311
91 HA ILE 11 HA ILE 11 -9.061 3.404 -3.435
92 HB ILE 11 HB ILE 11 -8.778 3.712 -0.435
93 HG12 ILE 11 2HG1 ILE 11 -11.122 4.000 -1.035
94 HG13 ILE 11 1HG1 ILE 11 -10.424 5.560 -0.630
95 HG21 ILE 11 1HG2 ILE 11 -6.970 4.766 -1.665
96 HG22 ILE 11 2HG2 ILE 11 -8.020 5.992 -0.953
97 HG23 ILE 11 3HG2 ILE 11 -8.132 5.628 -2.674
98 HD11 ILE 11 1HD1 ILE 11 -11.908 5.726 -2.533
99 HD12 ILE 11 2HD1 ILE 11 -10.968 4.519 -3.400
100 HD13 ILE 11 3HD1 ILE 11 -10.250 6.086 -3.019
101 H CYS 12 HN CYS 12 -7.335 2.568 -4.296
102 HA CYS 12 HA CYS 12 -5.558 0.913 -2.671
103 HB2 CYS 12 2HB CYS 12 -5.768 1.185 -5.661
104 HB3 CYS 12 1HB CYS 12 -4.666 0.107 -4.810
105 H TYR 13 HN TYR 13 -3.725 1.643 -2.039
106 HA TYR 13 HA TYR 13 -2.435 3.779 -3.544
107 HB2 TYR 13 2HB TYR 13 -1.724 4.806 -1.370
108 HB3 TYR 13 1HB TYR 13 -3.445 4.892 -1.714
109 HD1 TYR 13 1HD TYR 13 -5.049 3.880 -0.287
110 HD2 TYR 13 2HD TYR 13 -0.895 3.226 0.416
111 HE1 TYR 13 1HE TYR 13 -5.577 2.954 1.908
112 HE2 TYR 13 2HE TYR 13 -1.416 2.301 2.618
113 HH TYR 13 HH TYR 13 -3.202 2.437 4.272
114 H ARG 14 HN ARG 14 -0.137 3.902 -3.154
115 HA ARG 14 HA ARG 14 0.916 1.236 -2.720
116 HB2 ARG 14 2HB ARG 14 3.065 2.140 -3.566
117 HB3 ARG 14 1HB ARG 14 1.755 2.383 -4.709
118 HG2 ARG 14 2HG ARG 14 1.586 4.719 -4.061
119 HG3 ARG 14 1HG ARG 14 2.812 4.461 -2.818
120 HD2 ARG 14 2HD ARG 14 3.299 4.046 -5.760
121 HD3 ARG 14 1HD ARG 14 3.646 5.553 -4.918
122 HE ARG 14 HE ARG 14 4.910 3.548 -3.506
123 HH11 ARG 14 1HH1 ARG 14 5.151 4.978 -6.726
124 HH12 ARG 14 2HH1 ARG 14 6.798 4.623 -6.934
125 HH21 ARG 14 1HH2 ARG 14 7.188 3.056 -3.786
126 HH22 ARG 14 2HH2 ARG 14 7.974 3.473 -5.238
127 H LYS 15 HN LYS 15 2.070 0.664 -1.030
128 HA LYS 15 HA LYS 15 2.920 2.779 0.784
129 HB2 LYS 15 2HB LYS 15 0.958 1.563 1.713
130 HB3 LYS 15 1HB LYS 15 1.850 0.055 1.573
131 HG2 LYS 15 2HG LYS 15 3.497 0.863 3.174
132 HG3 LYS 15 1HG LYS 15 2.639 2.398 3.292
133 HD2 LYS 15 2HD LYS 15 0.689 1.261 4.193
134 HD3 LYS 15 1HD LYS 15 1.494 -0.298 4.023
135 HE2 LYS 15 2HE LYS 15 3.259 0.491 5.575
136 HE3 LYS 15 1HE LYS 15 2.373 1.996 5.781
137 HZ1 LYS 15 1HZ LYS 15 0.517 0.720 6.695
138 HZ2 LYS 15 2HZ LYS 15 1.929 0.505 7.585
139 HZ3 LYS 15 3HZ LYS 15 1.407 -0.711 6.544
140 H CYS 16 HN CYS 16 4.991 2.727 1.170
141 HA CYS 16 HA CYS 16 6.492 0.331 0.414
142 HB2 CYS 16 2HB CYS 16 7.390 3.221 0.497
143 HB3 CYS 16 1HB CYS 16 8.347 1.846 -0.043
144 H ARG 17 HN ARG 17 7.614 -0.610 2.024
145 HA ARG 17 HA ARG 17 8.594 -1.030 3.975
146 HB2 ARG 17 2HB ARG 17 8.535 1.971 4.414
147 HB3 ARG 17 1HB ARG 17 9.333 0.828 5.477
148 HG2 ARG 17 2HG ARG 17 10.888 0.230 3.733
149 HG3 ARG 17 1HG ARG 17 10.027 1.255 2.582
150 HD2 ARG 17 2HD ARG 17 12.044 2.339 3.435
151 HD3 ARG 17 1HD ARG 17 10.591 3.222 3.891
152 HE ARG 17 HE ARG 17 11.003 1.686 6.045
153 HH11 ARG 17 1HH1 ARG 17 13.181 3.788 4.215
154 HH12 ARG 17 2HH1 ARG 17 14.178 4.154 5.539
155 HH21 ARG 17 1HH2 ARG 17 12.374 2.220 7.903
156 HH22 ARG 17 2HH2 ARG 17 13.702 3.271 7.669
157 HN1 NH2 18 1H ARG 17 6.774 -2.149 4.542
158 HN2 NH2 18 2H ARG 17 5.639 -1.539 5.702
Start of MODEL 11
1 H1 LYS 1 1HT LYS 1 13.989 -2.274 -3.217
2 H2 LYS 1 2HT LYS 1 13.817 -3.650 -2.271
3 H3 LYS 1 3HT LYS 1 14.904 -2.451 -1.796
4 HA LYS 1 HA LYS 1 12.850 -2.441 -0.525
5 HB2 LYS 1 2HB LYS 1 13.224 -0.070 -2.375
6 HB3 LYS 1 1HB LYS 1 12.214 -0.045 -0.940
7 HG2 LYS 1 2HG LYS 1 15.202 -0.473 -0.996
8 HG3 LYS 1 1HG LYS 1 14.367 1.003 -0.516
9 HD2 LYS 1 2HD LYS 1 13.294 -0.181 1.331
10 HD3 LYS 1 1HD LYS 1 14.087 -1.673 0.844
11 HE2 LYS 1 2HE LYS 1 16.267 -0.673 1.285
12 HE3 LYS 1 1HE LYS 1 15.480 0.836 1.749
13 HZ1 LYS 1 1HZ LYS 1 14.432 -0.313 3.594
14 HZ2 LYS 1 2HZ LYS 1 16.102 -0.528 3.670
15 HZ3 LYS 1 3HZ LYS 1 15.113 -1.770 3.119
16 H TRP 2 HN TRP 2 10.691 -2.671 -0.472
17 HA TRP 2 HA TRP 2 9.483 -3.054 -3.103
18 HB2 TRP 2 2HB TRP 2 8.828 -4.368 -0.475
19 HB3 TRP 2 1HB TRP 2 7.858 -4.526 -1.930
20 HD1 TRP 2 1HD TRP 2 10.815 -5.978 -0.198
21 HE1 TRP 2 1HE TRP 2 11.873 -7.825 -1.657
22 HE3 TRP 2 3HE TRP 2 8.350 -5.055 -4.574
23 HZ2 TRP 2 2HZ TRP 2 11.688 -8.749 -4.318
24 HZ3 TRP 2 3HZ TRP 2 8.849 -6.460 -6.526
25 HH2 TRP 2 2HH TRP 2 10.484 -8.265 -6.397
26 H CYS 3 HN CYS 3 7.516 -2.261 -3.549
27 HA CYS 3 HA CYS 3 6.147 -0.750 -1.483
28 HB2 CYS 3 2HB CYS 3 6.484 0.020 -4.403
29 HB3 CYS 3 1HB CYS 3 5.432 0.844 -3.262
30 H PHE 4 HN PHE 4 4.083 -1.316 -1.321
31 HA PHE 4 HA PHE 4 3.047 -3.201 -3.307
32 HB2 PHE 4 2HB PHE 4 1.881 -4.268 -1.327
33 HB3 PHE 4 1HB PHE 4 3.607 -4.607 -1.516
34 HD1 PHE 4 1HD PHE 4 5.222 -3.386 0.005
35 HD2 PHE 4 2HD PHE 4 1.014 -3.287 0.612
36 HE1 PHE 4 1HE PHE 4 5.585 -2.648 2.303
37 HE2 PHE 4 2HE PHE 4 1.369 -2.540 2.927
38 HZ PHE 4 HZ PHE 4 3.653 -2.216 3.779
39 H ARG 5 HN ARG 5 0.898 -3.182 -3.713
40 HA ARG 5 HA ARG 5 -0.407 -0.683 -3.098
41 HB2 ARG 5 2HB ARG 5 -0.444 -1.551 -5.423
42 HB3 ARG 5 1HB ARG 5 -1.384 -2.929 -4.868
43 HG2 ARG 5 2HG ARG 5 -3.129 -1.332 -4.077
44 HG3 ARG 5 1HG ARG 5 -2.216 -0.039 -4.844
45 HD2 ARG 5 2HD ARG 5 -3.943 -0.681 -6.369
46 HD3 ARG 5 1HD ARG 5 -2.430 -1.324 -7.000
47 HE ARG 5 HE ARG 5 -3.365 -3.375 -5.564
48 HH11 ARG 5 1HH1 ARG 5 -4.937 -1.362 -8.015
49 HH12 ARG 5 2HH1 ARG 5 -5.974 -2.575 -8.574
50 HH21 ARG 5 1HH2 ARG 5 -4.808 -5.049 -6.302
51 HH22 ARG 5 2HH2 ARG 5 -5.881 -4.737 -7.584
52 H VAL 6 HN VAL 6 -1.753 -0.482 -1.481
53 HA VAL 6 HA VAL 6 -3.098 -2.868 -0.455
54 HB VAL 6 HB VAL 6 -2.708 -0.208 0.948
55 HG11 VAL 6 1HG1 VAL 6 -4.613 -1.482 1.745
56 HG12 VAL 6 2HG1 VAL 6 -3.345 -1.436 2.968
57 HG13 VAL 6 3HG1 VAL 6 -3.585 -2.892 2.003
58 HG21 VAL 6 1HG2 VAL 6 -0.990 -1.298 2.322
59 HG22 VAL 6 2HG2 VAL 6 -0.523 -1.228 0.621
60 HG23 VAL 6 3HG2 VAL 6 -1.112 -2.739 1.312
61 H CYS 7 HN CYS 7 -5.207 -2.886 -0.803
62 HA CYS 7 HA CYS 7 -6.498 -0.378 -1.547
63 HB2 CYS 7 2HB CYS 7 -7.279 -3.222 -2.226
64 HB3 CYS 7 1HB CYS 7 -8.218 -1.792 -2.640
65 H TYR 8 HN TYR 8 -7.707 0.443 -0.110
66 HA TYR 8 HA TYR 8 -8.861 -1.334 1.911
67 HB2 TYR 8 2HB TYR 8 -6.896 0.287 2.515
68 HB3 TYR 8 1HB TYR 8 -8.146 1.525 2.437
69 HD1 TYR 8 1HD TYR 8 -9.750 1.750 4.227
70 HD2 TYR 8 2HD TYR 8 -7.033 -1.517 4.163
71 HE1 TYR 8 1HE TYR 8 -10.351 1.205 6.537
72 HE2 TYR 8 2HE TYR 8 -7.620 -2.074 6.454
73 HH TYR 8 HH TYR 8 -10.313 -0.714 8.037
74 H ARG 9 HN ARG 9 -10.847 -1.494 1.084
75 HA ARG 9 HA ARG 9 -13.014 -1.045 0.705
76 HB2 ARG 9 2HB ARG 9 -12.374 1.643 1.946
77 HB3 ARG 9 1HB ARG 9 -14.000 1.092 1.570
78 HG2 ARG 9 2HG ARG 9 -13.708 -0.787 3.123
79 HG3 ARG 9 1HG ARG 9 -12.090 -0.203 3.502
80 HD2 ARG 9 2HD ARG 9 -14.675 1.269 3.991
81 HD3 ARG 9 1HD ARG 9 -13.695 0.463 5.211
82 HE ARG 9 HE ARG 9 -12.724 2.747 3.626
83 HH11 ARG 9 1HH1 ARG 9 -13.048 1.104 6.768
84 HH12 ARG 9 2HH1 ARG 9 -12.259 2.337 7.633
85 HH21 ARG 9 1HH2 ARG 9 -11.633 4.431 4.848
86 HH22 ARG 9 2HH2 ARG 9 -11.448 4.240 6.531
87 H GLY 10 HN GLY 10 -11.108 -0.665 -1.299
88 HA2 GLY 10 2HA GLY 10 -11.654 -0.275 -3.579
89 HA3 GLY 10 1HA GLY 10 -12.699 1.045 -3.074
90 H ILE 11 HN ILE 11 -10.544 1.949 -1.207
91 HA ILE 11 HA ILE 11 -9.236 3.666 -3.120
92 HB ILE 11 HB ILE 11 -8.983 3.563 -0.095
93 HG12 ILE 11 2HG1 ILE 11 -11.260 4.138 -0.765
94 HG13 ILE 11 1HG1 ILE 11 -10.458 5.540 -0.069
95 HG21 ILE 11 1HG2 ILE 11 -8.069 5.698 -2.025
96 HG22 ILE 11 2HG2 ILE 11 -7.030 4.606 -1.113
97 HG23 ILE 11 3HG2 ILE 11 -8.002 5.812 -0.266
98 HD11 ILE 11 1HD1 ILE 11 -10.077 6.414 -2.337
99 HD12 ILE 11 2HD1 ILE 11 -11.788 6.176 -1.984
100 HD13 ILE 11 3HD1 ILE 11 -10.932 5.020 -3.002
101 H CYS 12 HN CYS 12 -7.567 2.835 -4.135
102 HA CYS 12 HA CYS 12 -5.805 1.007 -2.709
103 HB2 CYS 12 2HB CYS 12 -6.050 1.587 -5.666
104 HB3 CYS 12 1HB CYS 12 -4.922 0.449 -4.941
105 H TYR 13 HN TYR 13 -3.852 1.516 -2.191
106 HA TYR 13 HA TYR 13 -2.549 3.824 -3.351
107 HB2 TYR 13 2HB TYR 13 -1.958 4.651 -1.068
108 HB3 TYR 13 1HB TYR 13 -3.682 4.724 -1.413
109 HD1 TYR 13 1HD TYR 13 -5.268 3.399 -0.157
110 HD2 TYR 13 2HD TYR 13 -1.091 3.017 0.564
111 HE1 TYR 13 1HE TYR 13 -5.743 2.179 1.910
112 HE2 TYR 13 2HE TYR 13 -1.547 1.788 2.608
113 HH TYR 13 HH TYR 13 -3.496 1.710 4.271
114 H ARG 14 HN ARG 14 -0.188 3.784 -2.571
115 HA ARG 14 HA ARG 14 0.525 0.979 -2.133
116 HB2 ARG 14 2HB ARG 14 2.082 3.037 -3.702
117 HB3 ARG 14 1HB ARG 14 2.633 1.402 -3.360
118 HG2 ARG 14 2HG ARG 14 0.704 0.529 -4.619
119 HG3 ARG 14 1HG ARG 14 0.246 2.188 -5.022
120 HD2 ARG 14 2HD ARG 14 1.454 1.306 -6.872
121 HD3 ARG 14 1HD ARG 14 2.514 2.449 -6.049
122 HE ARG 14 HE ARG 14 2.739 -0.368 -5.364
123 HH11 ARG 14 1HH1 ARG 14 4.150 2.428 -7.015
124 HH12 ARG 14 2HH1 ARG 14 5.640 1.656 -7.330
125 HH21 ARG 14 1HH2 ARG 14 4.816 -1.425 -5.810
126 HH22 ARG 14 2HH2 ARG 14 6.011 -0.551 -6.654
127 H LYS 15 HN LYS 15 2.103 0.483 -0.741
128 HA LYS 15 HA LYS 15 3.086 2.679 0.904
129 HB2 LYS 15 2HB LYS 15 2.133 -0.028 1.678
130 HB3 LYS 15 1HB LYS 15 3.359 0.772 2.649
131 HG2 LYS 15 2HG LYS 15 1.851 2.695 2.886
132 HG3 LYS 15 1HG LYS 15 0.609 1.785 2.022
133 HD2 LYS 15 2HD LYS 15 0.510 0.144 3.729
134 HD3 LYS 15 1HD LYS 15 1.970 0.765 4.504
135 HE2 LYS 15 2HE LYS 15 -0.573 2.298 4.176
136 HE3 LYS 15 1HE LYS 15 -0.152 1.422 5.654
137 HZ1 LYS 15 1HZ LYS 15 1.296 3.729 4.438
138 HZ2 LYS 15 2HZ LYS 15 1.829 2.906 5.801
139 HZ3 LYS 15 3HZ LYS 15 0.373 3.752 5.850
140 H CYS 16 HN CYS 16 5.212 2.681 1.399
141 HA CYS 16 HA CYS 16 6.889 0.458 0.470
142 HB2 CYS 16 2HB CYS 16 7.646 3.405 0.490
143 HB3 CYS 16 1HB CYS 16 8.593 2.079 -0.168
144 H ARG 17 HN ARG 17 7.890 -0.413 2.259
145 HA ARG 17 HA ARG 17 7.681 1.054 4.752
146 HB2 ARG 17 2HB ARG 17 8.711 -1.736 4.207
147 HB3 ARG 17 1HB ARG 17 8.582 -1.010 5.796
148 HG2 ARG 17 2HG ARG 17 6.173 -0.873 5.571
149 HG3 ARG 17 1HG ARG 17 6.274 -1.543 3.943
150 HD2 ARG 17 2HD ARG 17 7.248 -3.593 4.843
151 HD3 ARG 17 1HD ARG 17 7.180 -2.918 6.469
152 HE ARG 17 HE ARG 17 4.623 -2.768 5.659
153 HH11 ARG 17 1HH1 ARG 17 6.936 -5.455 5.688
154 HH12 ARG 17 2HH1 ARG 17 5.755 -6.657 5.885
155 HH21 ARG 17 1HH2 ARG 17 2.999 -4.427 5.963
156 HH22 ARG 17 2HH2 ARG 17 3.470 -6.054 6.057
157 HN1 NH2 18 1H ARG 17 9.142 2.696 4.220
158 HN2 NH2 18 2H ARG 17 10.848 2.460 4.375
Start of MODEL 12
1 H1 LYS 1 1HT LYS 1 12.754 0.950 -3.391
2 H2 LYS 1 2HT LYS 1 13.562 -0.501 -3.473
3 H3 LYS 1 3HT LYS 1 14.131 0.711 -2.443
4 HA LYS 1 HA LYS 1 13.048 -1.042 -1.217
5 HB2 LYS 1 2HB LYS 1 11.408 0.322 0.012
6 HB3 LYS 1 1HB LYS 1 12.873 1.229 -0.302
7 HG2 LYS 1 2HG LYS 1 11.708 2.339 -2.203
8 HG3 LYS 1 1HG LYS 1 10.250 1.457 -1.769
9 HD2 LYS 1 2HD LYS 1 10.118 3.672 -0.842
10 HD3 LYS 1 1HD LYS 1 10.325 2.514 0.465
11 HE2 LYS 1 2HE LYS 1 11.701 4.505 0.815
12 HE3 LYS 1 1HE LYS 1 12.700 3.073 0.622
13 HZ1 LYS 1 1HZ LYS 1 13.220 3.755 -1.624
14 HZ2 LYS 1 2HZ LYS 1 13.517 5.043 -0.575
15 HZ3 LYS 1 3HZ LYS 1 12.138 5.049 -1.520
16 H TRP 2 HN TRP 2 11.014 -2.071 -0.676
17 HA TRP 2 HA TRP 2 9.512 -2.637 -3.087
18 HB2 TRP 2 2HB TRP 2 9.740 -4.088 -0.449
19 HB3 TRP 2 1HB TRP 2 8.641 -4.563 -1.739
20 HD1 TRP 2 1HD TRP 2 12.426 -4.299 -1.027
21 HE1 TRP 2 1HE TRP 2 13.634 -5.948 -2.599
22 HE3 TRP 2 3HE TRP 2 8.443 -5.841 -3.817
23 HZ2 TRP 2 2HZ TRP 2 12.982 -7.669 -4.717
24 HZ3 TRP 2 3HZ TRP 2 8.823 -7.500 -5.598
25 HH2 TRP 2 2HH TRP 2 11.054 -8.390 -6.030
26 H CYS 3 HN CYS 3 7.337 -2.430 -3.197
27 HA CYS 3 HA CYS 3 5.988 -1.116 -0.961
28 HB2 CYS 3 2HB CYS 3 5.768 -0.224 -3.840
29 HB3 CYS 3 1HB CYS 3 5.034 0.535 -2.436
30 H PHE 4 HN PHE 4 4.046 -1.982 -0.618
31 HA PHE 4 HA PHE 4 3.043 -3.815 -2.644
32 HB2 PHE 4 2HB PHE 4 1.689 -4.759 -0.743
33 HB3 PHE 4 1HB PHE 4 3.418 -5.120 -0.717
34 HD1 PHE 4 1HD PHE 4 4.862 -3.846 0.932
35 HD2 PHE 4 2HD PHE 4 0.616 -3.651 1.022
36 HE1 PHE 4 1HE PHE 4 4.957 -3.010 3.233
37 HE2 PHE 4 2HE PHE 4 0.706 -2.805 3.322
38 HZ PHE 4 HZ PHE 4 2.887 -2.480 4.433
39 H ARG 5 HN ARG 5 0.844 -3.893 -3.122
40 HA ARG 5 HA ARG 5 -0.295 -1.259 -2.994
41 HB2 ARG 5 2HB ARG 5 -0.266 -2.225 -5.187
42 HB3 ARG 5 1HB ARG 5 -1.035 -3.696 -4.611
43 HG2 ARG 5 2HG ARG 5 -3.088 -2.443 -4.145
44 HG3 ARG 5 1HG ARG 5 -2.317 -0.969 -4.724
45 HD2 ARG 5 2HD ARG 5 -2.092 -1.890 -6.925
46 HD3 ARG 5 1HD ARG 5 -2.684 -3.453 -6.374
47 HE ARG 5 HE ARG 5 -4.777 -2.111 -5.797
48 HH11 ARG 5 1HH1 ARG 5 -2.714 -1.373 -8.576
49 HH12 ARG 5 2HH1 ARG 5 -4.007 -0.903 -9.582
50 HH21 ARG 5 1HH2 ARG 5 -6.575 -1.369 -7.219
51 HH22 ARG 5 2HH2 ARG 5 -6.187 -0.896 -8.796
52 H VAL 6 HN VAL 6 -1.722 -0.730 -1.575
53 HA VAL 6 HA VAL 6 -3.210 -2.859 -0.244
54 HB VAL 6 HB VAL 6 -2.703 -0.048 0.741
55 HG11 VAL 6 1HG1 VAL 6 -3.514 -0.869 2.873
56 HG12 VAL 6 2HG1 VAL 6 -3.830 -2.453 2.172
57 HG13 VAL 6 3HG1 VAL 6 -4.744 -1.046 1.625
58 HG21 VAL 6 1HG2 VAL 6 -1.132 -1.037 2.342
59 HG22 VAL 6 2HG2 VAL 6 -0.605 -1.277 0.675
60 HG23 VAL 6 3HG2 VAL 6 -1.342 -2.606 1.565
61 H CYS 7 HN CYS 7 -5.292 -2.889 -0.722
62 HA CYS 7 HA CYS 7 -6.492 -0.425 -1.704
63 HB2 CYS 7 2HB CYS 7 -7.279 -3.308 -2.223
64 HB3 CYS 7 1HB CYS 7 -8.247 -1.916 -2.711
65 H TYR 8 HN TYR 8 -7.480 0.576 -0.238
66 HA TYR 8 HA TYR 8 -8.675 -0.918 1.988
67 HB2 TYR 8 2HB TYR 8 -6.628 0.550 2.392
68 HB3 TYR 8 1HB TYR 8 -7.651 1.922 2.003
69 HD1 TYR 8 1HD TYR 8 -6.903 -0.691 4.426
70 HD2 TYR 8 2HD TYR 8 -9.362 2.673 3.588
71 HE1 TYR 8 1HE TYR 8 -7.557 -0.618 6.759
72 HE2 TYR 8 2HE TYR 8 -10.043 2.768 5.939
73 HH TYR 8 HH TYR 8 -10.189 1.228 7.837
74 H ARG 9 HN ARG 9 -10.758 -1.036 1.411
75 HA ARG 9 HA ARG 9 -12.927 -0.474 1.037
76 HB2 ARG 9 2HB ARG 9 -12.035 2.295 1.864
77 HB3 ARG 9 1HB ARG 9 -13.707 1.797 1.685
78 HG2 ARG 9 2HG ARG 9 -11.731 0.730 3.697
79 HG3 ARG 9 1HG ARG 9 -13.048 1.855 4.023
80 HD2 ARG 9 2HD ARG 9 -14.650 0.109 3.280
81 HD3 ARG 9 1HD ARG 9 -13.292 -1.002 3.102
82 HE ARG 9 HE ARG 9 -13.524 0.250 5.669
83 HH11 ARG 9 1HH1 ARG 9 -14.333 -2.624 3.775
84 HH12 ARG 9 2HH1 ARG 9 -14.755 -3.579 5.111
85 HH21 ARG 9 1HH2 ARG 9 -14.055 -1.061 7.524
86 HH22 ARG 9 2HH2 ARG 9 -14.581 -2.663 7.306
87 H GLY 10 HN GLY 10 -10.984 -0.295 -1.136
88 HA2 GLY 10 2HA GLY 10 -11.583 -0.046 -3.423
89 HA3 GLY 10 1HA GLY 10 -12.640 1.283 -2.970
90 H ILE 11 HN ILE 11 -10.083 2.028 -1.225
91 HA ILE 11 HA ILE 11 -8.905 3.684 -3.314
92 HB ILE 11 HB ILE 11 -8.564 3.772 -0.300
93 HG12 ILE 11 2HG1 ILE 11 -10.865 4.297 -0.952
94 HG13 ILE 11 1HG1 ILE 11 -10.048 5.726 -0.341
95 HG21 ILE 11 1HG2 ILE 11 -7.711 5.760 -2.405
96 HG22 ILE 11 2HG2 ILE 11 -6.647 4.727 -1.453
97 HG23 ILE 11 3HG2 ILE 11 -7.583 5.996 -0.661
98 HD11 ILE 11 1HD1 ILE 11 -10.584 5.071 -3.239
99 HD12 ILE 11 2HD1 ILE 11 -9.741 6.508 -2.655
100 HD13 ILE 11 3HD1 ILE 11 -11.441 6.261 -2.259
101 H CYS 12 HN CYS 12 -7.201 2.797 -4.292
102 HA CYS 12 HA CYS 12 -5.531 0.930 -2.792
103 HB2 CYS 12 2HB CYS 12 -5.750 1.377 -5.764
104 HB3 CYS 12 1HB CYS 12 -4.733 0.176 -4.981
105 H TYR 13 HN TYR 13 -3.650 1.496 -2.142
106 HA TYR 13 HA TYR 13 -2.154 3.553 -3.577
107 HB2 TYR 13 2HB TYR 13 -1.362 4.441 -1.379
108 HB3 TYR 13 1HB TYR 13 -3.091 4.642 -1.630
109 HD1 TYR 13 1HD TYR 13 -4.704 3.419 -0.251
110 HD2 TYR 13 2HD TYR 13 -0.515 2.954 0.375
111 HE1 TYR 13 1HE TYR 13 -5.150 2.399 1.927
112 HE2 TYR 13 2HE TYR 13 -0.958 1.926 2.559
113 HH TYR 13 HH TYR 13 -2.749 1.945 4.258
114 H ARG 14 HN ARG 14 0.230 3.385 -2.980
115 HA ARG 14 HA ARG 14 0.824 0.572 -2.446
116 HB2 ARG 14 2HB ARG 14 2.476 2.519 -4.069
117 HB3 ARG 14 1HB ARG 14 2.913 0.858 -3.713
118 HG2 ARG 14 2HG ARG 14 0.922 0.087 -4.953
119 HG3 ARG 14 1HG ARG 14 0.565 1.763 -5.368
120 HD2 ARG 14 2HD ARG 14 3.038 0.211 -6.117
121 HD3 ARG 14 1HD ARG 14 1.726 0.673 -7.199
122 HE ARG 14 HE ARG 14 2.705 2.977 -6.007
123 HH11 ARG 14 1HH1 ARG 14 3.705 0.564 -8.382
124 HH12 ARG 14 2HH1 ARG 14 4.918 1.521 -9.083
125 HH21 ARG 14 1HH2 ARG 14 4.372 4.332 -6.951
126 HH22 ARG 14 2HH2 ARG 14 5.306 3.733 -8.242
127 H LYS 15 HN LYS 15 1.540 0.271 -0.569
128 HA LYS 15 HA LYS 15 2.680 2.464 0.951
129 HB2 LYS 15 2HB LYS 15 0.810 1.070 1.833
130 HB3 LYS 15 1HB LYS 15 1.865 -0.325 1.776
131 HG2 LYS 15 2HG LYS 15 3.296 0.631 3.452
132 HG3 LYS 15 1HG LYS 15 2.347 2.126 3.455
133 HD2 LYS 15 2HD LYS 15 0.375 0.840 4.181
134 HD3 LYS 15 1HD LYS 15 1.357 -0.621 4.224
135 HE2 LYS 15 2HE LYS 15 2.766 0.351 5.943
136 HE3 LYS 15 1HE LYS 15 1.852 1.856 5.876
137 HZ1 LYS 15 1HZ LYS 15 1.124 0.531 7.719
138 HZ2 LYS 15 2HZ LYS 15 0.877 -0.795 6.746
139 HZ3 LYS 15 3HZ LYS 15 -0.127 0.564 6.589
140 H CYS 16 HN CYS 16 4.814 2.627 1.108
141 HA CYS 16 HA CYS 16 6.458 0.372 0.259
142 HB2 CYS 16 2HB CYS 16 7.152 3.280 0.681
143 HB3 CYS 16 1HB CYS 16 8.250 2.044 0.081
144 H ARG 17 HN ARG 17 7.677 -0.708 1.615
145 HA ARG 17 HA ARG 17 7.514 0.069 4.405
146 HB2 ARG 17 2HB ARG 17 8.251 -2.259 4.902
147 HB3 ARG 17 1HB ARG 17 6.738 -2.152 4.028
148 HG2 ARG 17 2HG ARG 17 7.952 -2.727 1.947
149 HG3 ARG 17 1HG ARG 17 9.428 -2.912 2.900
150 HD2 ARG 17 2HD ARG 17 8.293 -4.626 4.262
151 HD3 ARG 17 1HD ARG 17 6.871 -4.469 3.240
152 HE ARG 17 HE ARG 17 9.289 -5.091 1.817
153 HH11 ARG 17 1HH1 ARG 17 6.513 -6.493 3.546
154 HH12 ARG 17 2HH1 ARG 17 6.634 -7.998 2.771
155 HH21 ARG 17 1HH2 ARG 17 9.453 -7.155 0.793
156 HH22 ARG 17 2HH2 ARG 17 8.336 -8.388 1.168
157 HN1 NH2 18 1H ARG 17 9.018 1.352 5.051
158 HN2 NH2 18 2H ARG 17 10.704 1.209 4.722
Start of MODEL 13
1 H1 LYS 1 1HT LYS 1 12.961 -1.197 -0.879
2 H2 LYS 1 2HT LYS 1 12.201 0.285 -1.138
3 H3 LYS 1 3HT LYS 1 13.793 0.085 -1.612
4 HA LYS 1 HA LYS 1 12.444 0.043 -3.526
5 HB2 LYS 1 2HB LYS 1 13.270 -2.768 -2.822
6 HB3 LYS 1 1HB LYS 1 12.884 -2.188 -4.425
7 HG2 LYS 1 2HG LYS 1 14.840 -0.600 -4.171
8 HG3 LYS 1 1HG LYS 1 15.260 -1.527 -2.726
9 HD2 LYS 1 2HD LYS 1 15.359 -3.573 -4.020
10 HD3 LYS 1 1HD LYS 1 14.870 -2.696 -5.470
11 HE2 LYS 1 2HE LYS 1 16.930 -1.305 -5.195
12 HE3 LYS 1 1HE LYS 1 17.426 -2.410 -3.917
13 HZ1 LYS 1 1HZ LYS 1 17.407 -4.229 -5.530
14 HZ2 LYS 1 2HZ LYS 1 18.406 -2.980 -6.061
15 HZ3 LYS 1 3HZ LYS 1 16.866 -3.171 -6.723
16 H TRP 2 HN TRP 2 11.204 -2.112 -0.981
17 HA TRP 2 HA TRP 2 9.246 -3.088 -2.805
18 HB2 TRP 2 2HB TRP 2 9.706 -3.777 0.090
19 HB3 TRP 2 1HB TRP 2 8.550 -4.569 -0.978
20 HD1 TRP 2 1HD TRP 2 12.064 -4.746 0.123
21 HE1 TRP 2 1HE TRP 2 13.376 -6.475 -1.298
22 HE3 TRP 2 3HE TRP 2 8.704 -5.480 -3.645
23 HZ2 TRP 2 2HZ TRP 2 13.038 -7.926 -3.660
24 HZ3 TRP 2 3HZ TRP 2 9.282 -7.049 -5.449
25 HH2 TRP 2 2HH TRP 2 11.403 -8.241 -5.452
26 H CYS 3 HN CYS 3 7.579 -1.963 -3.226
27 HA CYS 3 HA CYS 3 6.165 -0.651 -1.032
28 HB2 CYS 3 2HB CYS 3 6.248 0.137 -3.948
29 HB3 CYS 3 1HB CYS 3 5.312 0.945 -2.695
30 H PHE 4 HN PHE 4 4.163 -1.326 -0.733
31 HA PHE 4 HA PHE 4 3.231 -3.289 -2.660
32 HB2 PHE 4 2HB PHE 4 1.941 -4.232 -0.686
33 HB3 PHE 4 1HB PHE 4 3.677 -4.532 -0.728
34 HD1 PHE 4 1HD PHE 4 0.921 -2.937 1.037
35 HD2 PHE 4 2HD PHE 4 5.148 -3.350 0.864
36 HE1 PHE 4 1HE PHE 4 1.102 -2.013 3.306
37 HE2 PHE 4 2HE PHE 4 5.343 -2.433 3.119
38 HZ PHE 4 HZ PHE 4 3.315 -1.753 4.360
39 H ARG 5 HN ARG 5 1.036 -3.562 -2.920
40 HA ARG 5 HA ARG 5 -0.355 -1.036 -3.024
41 HB2 ARG 5 2HB ARG 5 -0.324 -2.280 -5.064
42 HB3 ARG 5 1HB ARG 5 -0.818 -3.750 -4.246
43 HG2 ARG 5 2HG ARG 5 -3.029 -2.739 -3.825
44 HG3 ARG 5 1HG ARG 5 -2.514 -1.306 -4.718
45 HD2 ARG 5 2HD ARG 5 -2.252 -2.556 -6.725
46 HD3 ARG 5 1HD ARG 5 -2.495 -4.086 -5.886
47 HE ARG 5 HE ARG 5 -4.775 -2.669 -5.432
48 HH11 ARG 5 1HH1 ARG 5 -3.080 -3.758 -8.328
49 HH12 ARG 5 2HH1 ARG 5 -4.477 -3.906 -9.288
50 HH21 ARG 5 1HH2 ARG 5 -6.716 -2.873 -6.739
51 HH22 ARG 5 2HH2 ARG 5 -6.586 -3.388 -8.353
52 H VAL 6 HN VAL 6 -1.697 -0.517 -1.450
53 HA VAL 6 HA VAL 6 -2.996 -2.669 0.069
54 HB VAL 6 HB VAL 6 -2.634 0.242 0.868
55 HG11 VAL 6 1HG1 VAL 6 -3.382 -0.475 3.094
56 HG12 VAL 6 2HG1 VAL 6 -3.598 -2.112 2.500
57 HG13 VAL 6 3HG1 VAL 6 -4.607 -0.811 1.877
58 HG21 VAL 6 1HG2 VAL 6 -1.130 -2.178 1.850
59 HG22 VAL 6 2HG2 VAL 6 -0.988 -0.544 2.500
60 HG23 VAL 6 3HG2 VAL 6 -0.477 -0.884 0.846
61 H CYS 7 HN CYS 7 -5.106 -2.862 -0.361
62 HA CYS 7 HA CYS 7 -6.413 -0.543 -1.559
63 HB2 CYS 7 2HB CYS 7 -7.159 -3.474 -1.702
64 HB3 CYS 7 1HB CYS 7 -8.089 -2.156 -2.412
65 H TYR 8 HN TYR 8 -7.378 0.567 -0.183
66 HA TYR 8 HA TYR 8 -8.621 -0.731 2.138
67 HB2 TYR 8 2HB TYR 8 -6.588 0.800 2.436
68 HB3 TYR 8 1HB TYR 8 -7.643 2.105 1.921
69 HD1 TYR 8 1HD TYR 8 -6.985 -0.353 4.544
70 HD2 TYR 8 2HD TYR 8 -9.261 3.057 3.453
71 HE1 TYR 8 1HE TYR 8 -7.619 -0.079 6.852
72 HE2 TYR 8 2HE TYR 8 -9.937 3.366 5.780
73 HH TYR 8 HH TYR 8 -8.436 1.661 8.357
74 H ARG 9 HN ARG 9 -10.682 -0.887 1.556
75 HA ARG 9 HA ARG 9 -12.829 -0.325 1.155
76 HB2 ARG 9 2HB ARG 9 -11.797 2.445 1.767
77 HB3 ARG 9 1HB ARG 9 -13.503 2.072 1.544
78 HG2 ARG 9 2HG ARG 9 -13.436 0.539 3.420
79 HG3 ARG 9 1HG ARG 9 -11.710 0.837 3.614
80 HD2 ARG 9 2HD ARG 9 -12.110 3.118 4.202
81 HD3 ARG 9 1HD ARG 9 -13.831 2.962 3.835
82 HE ARG 9 HE ARG 9 -13.397 1.053 5.678
83 HH11 ARG 9 1HH1 ARG 9 -12.596 4.511 5.722
84 HH12 ARG 9 2HH1 ARG 9 -12.930 4.697 7.377
85 HH21 ARG 9 1HH2 ARG 9 -13.871 1.340 7.956
86 HH22 ARG 9 2HH2 ARG 9 -13.656 2.862 8.665
87 H GLY 10 HN GLY 10 -10.963 -0.497 -1.012
88 HA2 GLY 10 2HA GLY 10 -11.594 -0.545 -3.297
89 HA3 GLY 10 1HA GLY 10 -12.593 0.874 -3.021
90 H ILE 11 HN ILE 11 -10.086 1.875 -1.438
91 HA ILE 11 HA ILE 11 -8.917 3.145 -3.786
92 HB ILE 11 HB ILE 11 -8.505 3.747 -0.849
93 HG12 ILE 11 2HG1 ILE 11 -10.838 4.141 -1.487
94 HG13 ILE 11 1HG1 ILE 11 -10.022 5.658 -1.160
95 HG21 ILE 11 1HG2 ILE 11 -7.760 5.357 -3.293
96 HG22 ILE 11 2HG2 ILE 11 -6.647 4.519 -2.215
97 HG23 ILE 11 3HG2 ILE 11 -7.578 5.895 -1.623
98 HD11 ILE 11 1HD1 ILE 11 -9.802 6.027 -3.588
99 HD12 ILE 11 2HD1 ILE 11 -11.482 5.851 -3.084
100 HD13 ILE 11 3HD1 ILE 11 -10.658 4.511 -3.878
101 H CYS 12 HN CYS 12 -7.220 2.133 -4.610
102 HA CYS 12 HA CYS 12 -5.481 0.598 -2.841
103 HB2 CYS 12 2HB CYS 12 -5.634 0.658 -5.855
104 HB3 CYS 12 1HB CYS 12 -4.587 -0.385 -4.904
105 H TYR 13 HN TYR 13 -3.776 1.506 -2.134
106 HA TYR 13 HA TYR 13 -2.443 3.532 -3.762
107 HB2 TYR 13 2HB TYR 13 -1.835 4.706 -1.639
108 HB3 TYR 13 1HB TYR 13 -3.561 4.673 -1.980
109 HD1 TYR 13 1HD TYR 13 -0.918 3.425 0.250
110 HD2 TYR 13 2HD TYR 13 -5.091 3.463 -0.561
111 HE1 TYR 13 1HE TYR 13 -1.358 2.532 2.484
112 HE2 TYR 13 2HE TYR 13 -5.538 2.570 1.667
113 HH TYR 13 HH TYR 13 -3.161 2.433 4.085
114 H ARG 14 HN ARG 14 -0.141 3.881 -2.874
115 HA ARG 14 HA ARG 14 1.025 1.209 -2.554
116 HB2 ARG 14 2HB ARG 14 2.281 3.735 -3.676
117 HB3 ARG 14 1HB ARG 14 3.158 2.252 -3.375
118 HG2 ARG 14 2HG ARG 14 2.720 2.364 -5.706
119 HG3 ARG 14 1HG ARG 14 1.650 1.131 -5.044
120 HD2 ARG 14 2HD ARG 14 -0.191 2.747 -5.034
121 HD3 ARG 14 1HD ARG 14 0.890 3.979 -5.683
122 HE ARG 14 HE ARG 14 1.003 1.815 -7.384
123 HH11 ARG 14 1HH1 ARG 14 -1.421 4.193 -6.364
124 HH12 ARG 14 2HH1 ARG 14 -2.266 4.156 -7.842
125 HH21 ARG 14 1HH2 ARG 14 -0.184 1.763 -9.398
126 HH22 ARG 14 2HH2 ARG 14 -1.528 2.769 -9.601
127 H LYS 15 HN LYS 15 1.972 0.764 -0.722
128 HA LYS 15 HA LYS 15 2.851 2.999 0.962
129 HB2 LYS 15 2HB LYS 15 0.768 1.649 1.698
130 HB3 LYS 15 1HB LYS 15 1.882 0.324 1.982
131 HG2 LYS 15 2HG LYS 15 3.028 1.559 3.674
132 HG3 LYS 15 1HG LYS 15 2.118 3.021 3.293
133 HD2 LYS 15 2HD LYS 15 0.026 1.733 3.884
134 HD3 LYS 15 1HD LYS 15 1.084 0.467 4.506
135 HE2 LYS 15 2HE LYS 15 2.079 2.071 6.063
136 HE3 LYS 15 1HE LYS 15 1.034 3.334 5.428
137 HZ1 LYS 15 1HZ LYS 15 0.106 0.875 6.801
138 HZ2 LYS 15 2HZ LYS 15 -0.889 2.051 6.175
139 HZ3 LYS 15 3HZ LYS 15 0.119 2.416 7.471
140 H CYS 16 HN CYS 16 4.986 2.867 1.457
141 HA CYS 16 HA CYS 16 6.349 0.523 0.389
142 HB2 CYS 16 2HB CYS 16 7.435 3.275 0.939
143 HB3 CYS 16 1HB CYS 16 8.349 1.935 0.255
144 H ARG 17 HN ARG 17 7.342 -0.854 1.541
145 HA ARG 17 HA ARG 17 8.995 -0.499 3.679
146 HB2 ARG 17 2HB ARG 17 7.045 0.125 5.043
147 HB3 ARG 17 1HB ARG 17 6.214 -1.353 4.595
148 HG2 ARG 17 2HG ARG 17 7.850 -2.673 5.793
149 HG3 ARG 17 1HG ARG 17 8.791 -1.230 6.162
150 HD2 ARG 17 2HD ARG 17 5.965 -1.776 7.073
151 HD3 ARG 17 1HD ARG 17 7.414 -1.938 8.065
152 HE ARG 17 HE ARG 17 7.353 0.623 6.984
153 HH11 ARG 17 1HH1 ARG 17 5.609 -1.278 9.402
154 HH12 ARG 17 2HH1 ARG 17 5.122 0.067 10.326
155 HH21 ARG 17 1HH2 ARG 17 6.666 2.478 8.211
156 HH22 ARG 17 2HH2 ARG 17 5.746 2.279 9.625
157 HN1 NH2 18 1H ARG 17 10.114 -1.956 2.512
158 HN2 NH2 18 2H ARG 17 9.665 -3.615 2.325
Start of MODEL 14
1 H1 LYS 1 1HT LYS 1 14.609 -0.662 -3.212
2 H2 LYS 1 2HT LYS 1 13.510 -1.485 -4.195
3 H3 LYS 1 3HT LYS 1 13.848 -2.086 -2.689
4 HA LYS 1 HA LYS 1 12.813 -0.139 -1.677
5 HB2 LYS 1 2HB LYS 1 12.040 0.456 -4.552
6 HB3 LYS 1 1HB LYS 1 11.498 1.351 -3.148
7 HG2 LYS 1 2HG LYS 1 14.383 1.156 -3.995
8 HG3 LYS 1 1HG LYS 1 13.298 2.441 -4.505
9 HD2 LYS 1 2HD LYS 1 13.898 1.832 -1.605
10 HD3 LYS 1 1HD LYS 1 14.829 2.982 -2.562
11 HE2 LYS 1 2HE LYS 1 12.733 4.239 -3.006
12 HE3 LYS 1 1HE LYS 1 11.888 3.105 -1.953
13 HZ1 LYS 1 1HZ LYS 1 14.096 4.903 -1.129
14 HZ2 LYS 1 2HZ LYS 1 13.313 3.819 -0.128
15 HZ3 LYS 1 3HZ LYS 1 12.468 5.128 -0.759
16 H TRP 2 HN TRP 2 11.420 -1.534 -0.713
17 HA TRP 2 HA TRP 2 9.714 -3.255 -2.336
18 HB2 TRP 2 2HB TRP 2 10.267 -3.180 0.627
19 HB3 TRP 2 1HB TRP 2 9.032 -4.204 -0.079
20 HD1 TRP 2 1HD TRP 2 10.151 -5.922 -2.098
21 HE1 TRP 2 1HE TRP 2 12.258 -7.377 -1.837
22 HE3 TRP 2 3HE TRP 2 12.390 -3.415 1.750
23 HZ2 TRP 2 2HZ TRP 2 14.567 -7.451 -0.205
24 HZ3 TRP 2 3HZ TRP 2 14.540 -4.243 2.600
25 HH2 TRP 2 2HH TRP 2 15.601 -6.223 1.638
26 H CYS 3 HN CYS 3 7.782 -2.525 -2.909
27 HA CYS 3 HA CYS 3 6.210 -1.022 -0.953
28 HB2 CYS 3 2HB CYS 3 6.316 -0.519 -3.946
29 HB3 CYS 3 1HB CYS 3 5.261 0.302 -2.806
30 H PHE 4 HN PHE 4 3.961 -1.505 -1.041
31 HA PHE 4 HA PHE 4 3.144 -3.478 -2.992
32 HB2 PHE 4 2HB PHE 4 1.852 -4.655 -1.216
33 HB3 PHE 4 1HB PHE 4 3.623 -4.874 -1.159
34 HD1 PHE 4 1HD PHE 4 4.886 -3.660 0.643
35 HD2 PHE 4 2HD PHE 4 0.641 -3.833 0.584
36 HE1 PHE 4 1HE PHE 4 4.835 -3.058 3.024
37 HE2 PHE 4 2HE PHE 4 0.582 -3.226 2.959
38 HZ PHE 4 HZ PHE 4 2.683 -2.835 4.186
39 H ARG 5 HN ARG 5 0.894 -3.668 -3.234
40 HA ARG 5 HA ARG 5 -0.436 -1.098 -2.999
41 HB2 ARG 5 2HB ARG 5 -0.454 -2.016 -5.196
42 HB3 ARG 5 1HB ARG 5 -0.911 -3.602 -4.609
43 HG2 ARG 5 2HG ARG 5 -3.136 -2.704 -4.009
44 HG3 ARG 5 1HG ARG 5 -2.659 -1.144 -4.683
45 HD2 ARG 5 2HD ARG 5 -2.443 -2.053 -6.859
46 HD3 ARG 5 1HD ARG 5 -2.595 -3.709 -6.268
47 HE ARG 5 HE ARG 5 -4.916 -2.497 -5.533
48 HH11 ARG 5 1HH1 ARG 5 -3.287 -2.901 -8.653
49 HH12 ARG 5 2HH1 ARG 5 -4.743 -3.021 -9.536
50 HH21 ARG 5 1HH2 ARG 5 -6.897 -2.691 -6.768
51 HH22 ARG 5 2HH2 ARG 5 -6.814 -2.850 -8.460
52 H VAL 6 HN VAL 6 -2.026 -0.740 -1.589
53 HA VAL 6 HA VAL 6 -3.393 -3.061 -0.447
54 HB VAL 6 HB VAL 6 -2.844 -0.408 0.947
55 HG11 VAL 6 1HG1 VAL 6 -4.222 -2.885 2.007
56 HG12 VAL 6 2HG1 VAL 6 -5.000 -1.353 1.630
57 HG13 VAL 6 3HG1 VAL 6 -3.845 -1.445 2.950
58 HG21 VAL 6 1HG2 VAL 6 -0.841 -1.773 0.831
59 HG22 VAL 6 2HG2 VAL 6 -1.723 -3.150 1.489
60 HG23 VAL 6 3HG2 VAL 6 -1.451 -1.720 2.485
61 H CYS 7 HN CYS 7 -5.540 -3.008 -0.888
62 HA CYS 7 HA CYS 7 -6.674 -0.444 -1.679
63 HB2 CYS 7 2HB CYS 7 -7.594 -3.242 -2.376
64 HB3 CYS 7 1HB CYS 7 -8.419 -1.758 -2.837
65 H TYR 8 HN TYR 8 -7.835 0.454 -0.282
66 HA TYR 8 HA TYR 8 -9.166 -1.175 1.770
67 HB2 TYR 8 2HB TYR 8 -7.055 0.155 2.384
68 HB3 TYR 8 1HB TYR 8 -8.032 1.584 2.126
69 HD1 TYR 8 1HD TYR 8 -7.278 -1.152 4.360
70 HD2 TYR 8 2HD TYR 8 -9.944 2.065 3.625
71 HE1 TYR 8 1HE TYR 8 -8.031 -1.274 6.662
72 HE2 TYR 8 2HE TYR 8 -10.719 1.961 5.937
73 HH TYR 8 HH TYR 8 -10.828 0.271 7.742
74 H ARG 9 HN ARG 9 -11.233 -1.088 1.026
75 HA ARG 9 HA ARG 9 -13.328 -0.321 0.602
76 HB2 ARG 9 2HB ARG 9 -12.210 2.334 1.536
77 HB3 ARG 9 1HB ARG 9 -13.895 2.069 1.144
78 HG2 ARG 9 2HG ARG 9 -12.385 0.661 3.340
79 HG3 ARG 9 1HG ARG 9 -13.438 2.062 3.547
80 HD2 ARG 9 2HD ARG 9 -15.293 0.708 2.566
81 HD3 ARG 9 1HD ARG 9 -14.223 -0.693 2.610
82 HE ARG 9 HE ARG 9 -14.246 0.454 5.139
83 HH11 ARG 9 1HH1 ARG 9 -16.515 -1.257 3.017
84 HH12 ARG 9 2HH1 ARG 9 -17.438 -1.909 4.289
85 HH21 ARG 9 1HH2 ARG 9 -15.571 -0.416 6.904
86 HH22 ARG 9 2HH2 ARG 9 -16.878 -1.422 6.543
87 H GLY 10 HN GLY 10 -11.179 -0.281 -1.396
88 HA2 GLY 10 2HA GLY 10 -11.496 0.062 -3.731
89 HA3 GLY 10 1HA GLY 10 -12.550 1.420 -3.350
90 H ILE 11 HN ILE 11 -10.252 1.995 -1.309
91 HA ILE 11 HA ILE 11 -8.865 3.812 -3.084
92 HB ILE 11 HB ILE 11 -8.603 3.464 -0.078
93 HG12 ILE 11 2HG1 ILE 11 -10.869 4.173 -0.660
94 HG13 ILE 11 1HG1 ILE 11 -10.000 5.487 0.117
95 HG21 ILE 11 1HG2 ILE 11 -7.514 5.651 -0.084
96 HG22 ILE 11 2HG2 ILE 11 -7.684 5.738 -1.832
97 HG23 ILE 11 3HG2 ILE 11 -6.633 4.518 -1.117
98 HD11 ILE 11 1HD1 ILE 11 -9.611 6.496 -2.089
99 HD12 ILE 11 2HD1 ILE 11 -11.324 6.312 -1.718
100 HD13 ILE 11 3HD1 ILE 11 -10.541 5.194 -2.834
101 H CYS 12 HN CYS 12 -7.289 2.816 -4.204
102 HA CYS 12 HA CYS 12 -5.673 0.838 -2.808
103 HB2 CYS 12 2HB CYS 12 -5.849 1.456 -5.761
104 HB3 CYS 12 1HB CYS 12 -4.843 0.212 -5.029
105 H TYR 13 HN TYR 13 -3.960 1.498 -1.931
106 HA TYR 13 HA TYR 13 -2.421 3.646 -3.159
107 HB2 TYR 13 2HB TYR 13 -1.900 4.479 -0.871
108 HB3 TYR 13 1HB TYR 13 -3.605 4.587 -1.297
109 HD1 TYR 13 1HD TYR 13 -1.154 2.834 0.826
110 HD2 TYR 13 2HD TYR 13 -5.273 3.390 -0.061
111 HE1 TYR 13 1HE TYR 13 -1.750 1.724 2.919
112 HE2 TYR 13 2HE TYR 13 -5.882 2.280 2.030
113 HH TYR 13 HH TYR 13 -4.932 0.727 3.626
114 H ARG 14 HN ARG 14 -0.145 3.597 -2.256
115 HA ARG 14 HA ARG 14 0.599 0.791 -1.972
116 HB2 ARG 14 2HB ARG 14 2.183 3.084 -3.101
117 HB3 ARG 14 1HB ARG 14 2.781 1.450 -2.884
118 HG2 ARG 14 2HG ARG 14 1.108 0.633 -4.481
119 HG3 ARG 14 1HG ARG 14 0.537 2.293 -4.709
120 HD2 ARG 14 2HD ARG 14 2.770 2.952 -5.432
121 HD3 ARG 14 1HD ARG 14 3.320 1.301 -5.196
122 HE ARG 14 HE ARG 14 1.158 1.339 -6.978
123 HH11 ARG 14 1HH1 ARG 14 4.525 2.291 -6.721
124 HH12 ARG 14 2HH1 ARG 14 4.927 2.042 -8.357
125 HH21 ARG 14 1HH2 ARG 14 1.659 0.983 -9.294
126 HH22 ARG 14 2HH2 ARG 14 3.255 1.249 -9.849
127 H LYS 15 HN LYS 15 1.932 0.207 -0.417
128 HA LYS 15 HA LYS 15 2.822 2.269 1.468
129 HB2 LYS 15 2HB LYS 15 2.247 -0.651 2.001
130 HB3 LYS 15 1HB LYS 15 2.876 0.495 3.173
131 HG2 LYS 15 2HG LYS 15 0.805 1.799 2.983
132 HG3 LYS 15 1HG LYS 15 0.179 0.607 1.845
133 HD2 LYS 15 2HD LYS 15 -0.728 0.128 4.023
134 HD3 LYS 15 1HD LYS 15 0.428 -1.126 3.600
135 HE2 LYS 15 2HE LYS 15 0.670 -0.436 5.936
136 HE3 LYS 15 1HE LYS 15 2.124 -0.081 5.013
137 HZ1 LYS 15 1HZ LYS 15 0.009 1.893 5.719
138 HZ2 LYS 15 2HZ LYS 15 1.428 2.234 4.882
139 HZ3 LYS 15 3HZ LYS 15 1.501 1.725 6.480
140 H CYS 16 HN CYS 16 4.898 2.606 1.313
141 HA CYS 16 HA CYS 16 6.565 0.494 0.222
142 HB2 CYS 16 2HB CYS 16 6.986 3.462 0.480
143 HB3 CYS 16 1HB CYS 16 8.236 2.345 -0.058
144 H ARG 17 HN ARG 17 8.172 -0.361 1.286
145 HA ARG 17 HA ARG 17 8.076 -0.070 4.167
146 HB2 ARG 17 2HB ARG 17 9.788 -1.962 2.542
147 HB3 ARG 17 1HB ARG 17 9.356 -2.104 4.238
148 HG2 ARG 17 2HG ARG 17 7.015 -2.454 3.580
149 HG3 ARG 17 1HG ARG 17 7.502 -2.366 1.887
150 HD2 ARG 17 2HD ARG 17 9.112 -4.239 2.388
151 HD3 ARG 17 1HD ARG 17 8.292 -4.414 3.937
152 HE ARG 17 HE ARG 17 7.106 -4.828 1.290
153 HH11 ARG 17 1HH1 ARG 17 6.897 -5.275 4.803
154 HH12 ARG 17 2HH1 ARG 17 5.756 -6.516 4.717
155 HH21 ARG 17 1HH2 ARG 17 5.569 -6.570 1.173
156 HH22 ARG 17 2HH2 ARG 17 5.013 -7.306 2.590
157 HN1 NH2 18 1H ARG 17 10.944 -0.725 2.223
158 HN2 NH2 18 2H ARG 17 11.858 0.595 2.853
Start of MODEL 15
1 H1 LYS 1 1HT LYS 1 12.294 -2.738 0.729
2 H2 LYS 1 2HT LYS 1 11.833 -1.127 0.632
3 H3 LYS 1 3HT LYS 1 13.426 -1.503 0.919
4 HA LYS 1 HA LYS 1 13.112 -0.743 -1.297
5 HB2 LYS 1 2HB LYS 1 14.121 -2.634 -2.537
6 HB3 LYS 1 1HB LYS 1 14.910 -2.342 -0.997
7 HG2 LYS 1 2HG LYS 1 13.729 -4.261 -0.035
8 HG3 LYS 1 1HG LYS 1 12.912 -4.527 -1.574
9 HD2 LYS 1 2HD LYS 1 15.079 -4.907 -2.660
10 HD3 LYS 1 1HD LYS 1 15.899 -4.644 -1.120
11 HE2 LYS 1 2HE LYS 1 14.702 -6.567 -0.170
12 HE3 LYS 1 1HE LYS 1 13.897 -6.817 -1.710
13 HZ1 LYS 1 1HZ LYS 1 16.080 -7.243 -2.723
14 HZ2 LYS 1 2HZ LYS 1 15.741 -8.316 -1.500
15 HZ3 LYS 1 3HZ LYS 1 16.822 -7.060 -1.221
16 H TRP 2 HN TRP 2 10.909 -3.439 -0.535
17 HA TRP 2 HA TRP 2 9.802 -3.115 -3.182
18 HB2 TRP 2 2HB TRP 2 8.372 -5.096 -2.625
19 HB3 TRP 2 1HB TRP 2 10.095 -5.415 -2.603
20 HD1 TRP 2 1HD TRP 2 7.309 -4.633 -0.020
21 HE1 TRP 2 1HE TRP 2 7.794 -6.010 2.106
22 HE3 TRP 2 3HE TRP 2 11.662 -6.848 -1.468
23 HZ2 TRP 2 2HZ TRP 2 9.755 -7.819 3.025
24 HZ3 TRP 2 3HZ TRP 2 12.776 -8.398 0.091
25 HH2 TRP 2 2HH TRP 2 11.835 -8.866 2.287
26 H CYS 3 HN CYS 3 7.632 -2.741 -3.563
27 HA CYS 3 HA CYS 3 6.169 -1.479 -1.366
28 HB2 CYS 3 2HB CYS 3 6.420 -0.487 -4.213
29 HB3 CYS 3 1HB CYS 3 5.313 0.167 -3.024
30 H PHE 4 HN PHE 4 3.962 -1.827 -1.454
31 HA PHE 4 HA PHE 4 2.974 -3.381 -3.683
32 HB2 PHE 4 2HB PHE 4 1.661 -4.780 -2.041
33 HB3 PHE 4 1HB PHE 4 3.400 -5.076 -2.090
34 HD1 PHE 4 1HD PHE 4 0.596 -3.964 -0.080
35 HD2 PHE 4 2HD PHE 4 4.825 -4.359 -0.215
36 HE1 PHE 4 1HE PHE 4 0.698 -3.674 2.348
37 HE2 PHE 4 2HE PHE 4 4.937 -4.062 2.223
38 HZ PHE 4 HZ PHE 4 2.870 -3.723 3.511
39 H ARG 5 HN ARG 5 0.635 -3.336 -3.836
40 HA ARG 5 HA ARG 5 -0.301 -0.736 -2.895
41 HB2 ARG 5 2HB ARG 5 -0.001 -0.961 -5.338
42 HB3 ARG 5 1HB ARG 5 -1.149 -2.288 -5.341
43 HG2 ARG 5 2HG ARG 5 -2.909 -0.781 -4.600
44 HG3 ARG 5 1HG ARG 5 -1.756 0.555 -4.559
45 HD2 ARG 5 2HD ARG 5 -2.539 -1.043 -6.997
46 HD3 ARG 5 1HD ARG 5 -3.086 0.587 -6.612
47 HE ARG 5 HE ARG 5 -0.271 0.525 -6.665
48 HH11 ARG 5 1HH1 ARG 5 -3.011 0.336 -8.895
49 HH12 ARG 5 2HH1 ARG 5 -2.171 0.997 -10.216
50 HH21 ARG 5 1HH2 ARG 5 0.895 1.400 -8.478
51 HH22 ARG 5 2HH2 ARG 5 0.110 1.586 -9.986
52 H VAL 6 HN VAL 6 -1.868 -0.754 -1.491
53 HA VAL 6 HA VAL 6 -3.394 -3.227 -1.083
54 HB VAL 6 HB VAL 6 -2.990 -0.880 0.809
55 HG11 VAL 6 1HG1 VAL 6 -5.105 -2.023 1.214
56 HG12 VAL 6 2HG1 VAL 6 -3.977 -2.322 2.534
57 HG13 VAL 6 3HG1 VAL 6 -4.264 -3.570 1.323
58 HG21 VAL 6 1HG2 VAL 6 -0.913 -2.099 0.498
59 HG22 VAL 6 2HG2 VAL 6 -1.732 -3.618 0.865
60 HG23 VAL 6 3HG2 VAL 6 -1.561 -2.381 2.113
61 H CYS 7 HN CYS 7 -5.562 -3.128 -1.407
62 HA CYS 7 HA CYS 7 -6.704 -0.478 -1.904
63 HB2 CYS 7 2HB CYS 7 -7.596 -3.200 -2.864
64 HB3 CYS 7 1HB CYS 7 -8.493 -1.709 -3.146
65 H TYR 8 HN TYR 8 -7.618 0.252 -0.246
66 HA TYR 8 HA TYR 8 -8.900 -1.600 1.626
67 HB2 TYR 8 2HB TYR 8 -6.712 -0.465 2.303
68 HB3 TYR 8 1HB TYR 8 -7.617 1.042 2.246
69 HD1 TYR 8 1HD TYR 8 -8.884 1.737 4.118
70 HD2 TYR 8 2HD TYR 8 -7.445 -2.254 3.916
71 HE1 TYR 8 1HE TYR 8 -9.536 1.390 6.456
72 HE2 TYR 8 2HE TYR 8 -8.091 -2.617 6.239
73 HH TYR 8 HH TYR 8 -10.104 -0.567 7.970
74 H ARG 9 HN ARG 9 -10.996 -1.343 1.315
75 HA ARG 9 HA ARG 9 -13.070 -0.471 1.118
76 HB2 ARG 9 2HB ARG 9 -11.737 2.005 2.222
77 HB3 ARG 9 1HB ARG 9 -13.474 1.827 2.044
78 HG2 ARG 9 2HG ARG 9 -13.449 -0.057 3.599
79 HG3 ARG 9 1HG ARG 9 -11.699 0.099 3.758
80 HD2 ARG 9 2HD ARG 9 -13.744 2.177 4.521
81 HD3 ARG 9 1HD ARG 9 -12.860 1.123 5.624
82 HE ARG 9 HE ARG 9 -11.165 2.674 3.927
83 HH11 ARG 9 1HH1 ARG 9 -12.959 2.715 6.954
84 HH12 ARG 9 2HH1 ARG 9 -11.997 3.900 7.682
85 HH21 ARG 9 1HH2 ARG 9 -9.825 4.309 4.901
86 HH22 ARG 9 2HH2 ARG 9 -10.174 4.845 6.481
87 H GLY 10 HN GLY 10 -11.292 -0.432 -1.087
88 HA2 GLY 10 2HA GLY 10 -11.843 0.078 -3.320
89 HA3 GLY 10 1HA GLY 10 -12.739 1.484 -2.761
90 H ILE 11 HN ILE 11 -10.373 2.117 -0.992
91 HA ILE 11 HA ILE 11 -9.062 3.786 -2.947
92 HB ILE 11 HB ILE 11 -8.651 3.605 0.052
93 HG12 ILE 11 2HG1 ILE 11 -10.935 4.322 -0.458
94 HG13 ILE 11 1HG1 ILE 11 -10.008 5.663 0.203
95 HG21 ILE 11 1HG2 ILE 11 -7.734 5.722 -1.893
96 HG22 ILE 11 2HG2 ILE 11 -6.709 4.552 -1.064
97 HG23 ILE 11 3HG2 ILE 11 -7.554 5.795 -0.139
98 HD11 ILE 11 1HD1 ILE 11 -9.731 6.560 -2.065
99 HD12 ILE 11 2HD1 ILE 11 -11.427 6.398 -1.611
100 HD13 ILE 11 3HD1 ILE 11 -10.693 5.223 -2.702
101 H CYS 12 HN CYS 12 -7.376 3.020 -3.977
102 HA CYS 12 HA CYS 12 -5.756 0.932 -2.719
103 HB2 CYS 12 2HB CYS 12 -5.819 1.861 -5.590
104 HB3 CYS 12 1HB CYS 12 -4.882 0.510 -4.965
105 H TYR 13 HN TYR 13 -3.895 1.399 -1.919
106 HA TYR 13 HA TYR 13 -2.490 3.741 -2.913
107 HB2 TYR 13 2HB TYR 13 -1.927 4.422 -0.614
108 HB3 TYR 13 1HB TYR 13 -3.657 4.459 -0.925
109 HD1 TYR 13 1HD TYR 13 -5.167 3.076 0.338
110 HD2 TYR 13 2HD TYR 13 -0.962 2.678 0.848
111 HE1 TYR 13 1HE TYR 13 -5.540 1.764 2.372
112 HE2 TYR 13 2HE TYR 13 -1.320 1.382 2.859
113 HH TYR 13 HH TYR 13 -4.343 0.123 3.795
114 H ARG 14 HN ARG 14 -0.283 3.682 -2.598
115 HA ARG 14 HA ARG 14 0.786 0.985 -2.484
116 HB2 ARG 14 2HB ARG 14 1.325 2.210 -4.462
117 HB3 ARG 14 1HB ARG 14 1.830 3.609 -3.529
118 HG2 ARG 14 2HG ARG 14 3.774 2.374 -2.759
119 HG3 ARG 14 1HG ARG 14 3.232 0.961 -3.675
120 HD2 ARG 14 2HD ARG 14 3.427 2.130 -5.741
121 HD3 ARG 14 1HD ARG 14 3.737 3.657 -4.918
122 HE ARG 14 HE ARG 14 5.784 2.406 -4.048
123 HH11 ARG 14 1HH1 ARG 14 4.425 1.944 -7.289
124 HH12 ARG 14 2HH1 ARG 14 5.936 1.613 -8.012
125 HH21 ARG 14 1HH2 ARG 14 7.860 1.979 -5.090
126 HH22 ARG 14 2HH2 ARG 14 7.877 1.601 -6.748
127 H LYS 15 HN LYS 15 1.926 0.283 -0.843
128 HA LYS 15 HA LYS 15 2.791 2.177 1.209
129 HB2 LYS 15 2HB LYS 15 2.485 -0.832 1.294
130 HB3 LYS 15 1HB LYS 15 3.241 0.098 2.571
131 HG2 LYS 15 2HG LYS 15 1.095 1.315 2.868
132 HG3 LYS 15 1HG LYS 15 0.365 0.217 1.690
133 HD2 LYS 15 2HD LYS 15 0.884 -1.689 3.085
134 HD3 LYS 15 1HD LYS 15 1.744 -0.661 4.230
135 HE2 LYS 15 2HE LYS 15 -0.380 0.503 4.725
136 HE3 LYS 15 1HE LYS 15 -1.211 -0.581 3.610
137 HZ1 LYS 15 1HZ LYS 15 -0.608 -2.437 5.024
138 HZ2 LYS 15 2HZ LYS 15 -1.440 -1.288 5.919
139 HZ3 LYS 15 3HZ LYS 15 0.227 -1.422 6.068
140 H CYS 16 HN CYS 16 4.835 2.681 1.397
141 HA CYS 16 HA CYS 16 6.888 0.854 0.417
142 HB2 CYS 16 2HB CYS 16 6.739 3.830 -0.123
143 HB3 CYS 16 1HB CYS 16 8.158 2.831 -0.406
144 H ARG 17 HN ARG 17 8.594 0.746 1.796
145 HA ARG 17 HA ARG 17 9.247 2.883 3.534
146 HB2 ARG 17 2HB ARG 17 7.406 1.845 4.820
147 HB3 ARG 17 1HB ARG 17 8.254 0.306 4.781
148 HG2 ARG 17 2HG ARG 17 10.071 1.247 6.079
149 HG3 ARG 17 1HG ARG 17 9.290 2.826 6.059
150 HD2 ARG 17 2HD ARG 17 8.902 1.712 8.166
151 HD3 ARG 17 1HD ARG 17 7.390 1.889 7.286
152 HE ARG 17 HE ARG 17 8.306 -0.586 6.611
153 HH11 ARG 17 1HH1 ARG 17 7.545 1.036 9.660
154 HH12 ARG 17 2HH1 ARG 17 7.103 -0.381 10.479
155 HH21 ARG 17 1HH2 ARG 17 7.691 -2.560 7.735
156 HH22 ARG 17 2HH2 ARG 17 7.192 -2.474 9.356
157 HN1 NH2 18 1H ARG 17 11.172 2.783 2.581
158 HN2 NH2 18 2H ARG 17 12.265 1.450 2.698
Start of MODEL 16
1 H1 LYS 1 1HT LYS 1 12.624 0.890 -1.415
2 H2 LYS 1 2HT LYS 1 13.478 0.141 -2.660
3 H3 LYS 1 3HT LYS 1 14.246 0.492 -1.193
4 HA LYS 1 HA LYS 1 13.697 -1.835 -1.413
5 HB2 LYS 1 2HB LYS 1 12.179 -0.290 0.703
6 HB3 LYS 1 1HB LYS 1 12.416 -2.021 0.743
7 HG2 LYS 1 2HG LYS 1 14.812 -1.738 0.933
8 HG3 LYS 1 1HG LYS 1 14.640 0.009 0.776
9 HD2 LYS 1 2HD LYS 1 13.405 0.121 2.848
10 HD3 LYS 1 1HD LYS 1 13.400 -1.635 2.977
11 HE2 LYS 1 2HE LYS 1 15.872 0.092 3.008
12 HE3 LYS 1 1HE LYS 1 15.078 -0.546 4.442
13 HZ1 LYS 1 1HZ LYS 1 15.518 -2.791 3.636
14 HZ2 LYS 1 2HZ LYS 1 16.945 -1.919 3.788
15 HZ3 LYS 1 3HZ LYS 1 16.295 -2.173 2.269
16 H TRP 2 HN TRP 2 11.534 -3.146 -0.587
17 HA TRP 2 HA TRP 2 9.903 -3.121 -2.887
18 HB2 TRP 2 2HB TRP 2 8.736 -5.021 -1.900
19 HB3 TRP 2 1HB TRP 2 10.470 -5.208 -1.735
20 HD1 TRP 2 1HD TRP 2 11.397 -4.506 0.880
21 HE1 TRP 2 1HE TRP 2 10.324 -5.149 3.122
22 HE3 TRP 2 3HE TRP 2 6.666 -5.532 -0.760
23 HZ2 TRP 2 2HZ TRP 2 7.810 -5.993 4.070
24 HZ3 TRP 2 3HZ TRP 2 4.991 -6.266 0.883
25 HH2 TRP 2 2HH TRP 2 5.553 -6.491 3.244
26 H CYS 3 HN CYS 3 7.782 -2.707 -3.178
27 HA CYS 3 HA CYS 3 6.371 -1.181 -1.118
28 HB2 CYS 3 2HB CYS 3 6.335 -0.708 -4.114
29 HB3 CYS 3 1HB CYS 3 5.427 0.201 -2.923
30 H PHE 4 HN PHE 4 4.107 -1.493 -1.133
31 HA PHE 4 HA PHE 4 3.102 -3.577 -2.890
32 HB2 PHE 4 2HB PHE 4 1.809 -4.507 -0.936
33 HB3 PHE 4 1HB PHE 4 3.547 -4.766 -0.860
34 HD1 PHE 4 1HD PHE 4 4.850 -3.796 0.877
35 HD2 PHE 4 2HD PHE 4 0.710 -2.921 0.579
36 HE1 PHE 4 1HE PHE 4 4.901 -2.856 3.128
37 HE2 PHE 4 2HE PHE 4 0.749 -1.962 2.842
38 HZ PHE 4 HZ PHE 4 2.847 -1.929 4.125
39 H ARG 5 HN ARG 5 0.726 -3.557 -2.999
40 HA ARG 5 HA ARG 5 -0.271 -0.831 -2.602
41 HB2 ARG 5 2HB ARG 5 -0.121 -1.386 -4.958
42 HB3 ARG 5 1HB ARG 5 -1.010 -2.876 -4.693
43 HG2 ARG 5 2HG ARG 5 -3.009 -1.620 -4.129
44 HG3 ARG 5 1HG ARG 5 -2.125 -0.105 -4.303
45 HD2 ARG 5 2HD ARG 5 -3.454 -0.571 -6.294
46 HD3 ARG 5 1HD ARG 5 -1.728 -0.594 -6.642
47 HE ARG 5 HE ARG 5 -2.674 -3.194 -6.062
48 HH11 ARG 5 1HH1 ARG 5 -2.660 -0.736 -8.619
49 HH12 ARG 5 2HH1 ARG 5 -2.777 -1.845 -9.896
50 HH21 ARG 5 1HH2 ARG 5 -2.852 -4.735 -7.824
51 HH22 ARG 5 2HH2 ARG 5 -2.921 -4.175 -9.428
52 H VAL 6 HN VAL 6 -1.902 -0.559 -1.289
53 HA VAL 6 HA VAL 6 -3.364 -2.930 -0.330
54 HB VAL 6 HB VAL 6 -3.053 -0.229 1.035
55 HG11 VAL 6 1HG1 VAL 6 -4.259 -2.797 2.080
56 HG12 VAL 6 2HG1 VAL 6 -5.141 -1.337 1.643
57 HG13 VAL 6 3HG1 VAL 6 -4.036 -1.316 3.011
58 HG21 VAL 6 1HG2 VAL 6 -0.932 -1.400 1.029
59 HG22 VAL 6 2HG2 VAL 6 -1.706 -2.849 1.670
60 HG23 VAL 6 3HG2 VAL 6 -1.614 -1.389 2.656
61 H CYS 7 HN CYS 7 -5.488 -2.973 -0.767
62 HA CYS 7 HA CYS 7 -6.719 -0.492 -1.686
63 HB2 CYS 7 2HB CYS 7 -7.434 -3.366 -2.309
64 HB3 CYS 7 1HB CYS 7 -8.438 -1.984 -2.741
65 H TYR 8 HN TYR 8 -7.727 0.418 -0.164
66 HA TYR 8 HA TYR 8 -9.001 -1.252 1.872
67 HB2 TYR 8 2HB TYR 8 -6.954 0.157 2.464
68 HB3 TYR 8 1HB TYR 8 -7.975 1.554 2.210
69 HD1 TYR 8 1HD TYR 8 -9.538 2.266 3.848
70 HD2 TYR 8 2HD TYR 8 -7.534 -1.443 4.309
71 HE1 TYR 8 1HE TYR 8 -10.361 2.123 6.137
72 HE2 TYR 8 2HE TYR 8 -8.336 -1.616 6.590
73 HH TYR 8 HH TYR 8 -9.110 -0.004 8.393
74 H ARG 9 HN ARG 9 -11.040 -1.297 1.157
75 HA ARG 9 HA ARG 9 -13.197 -0.680 0.782
76 HB2 ARG 9 2HB ARG 9 -12.326 2.021 1.854
77 HB3 ARG 9 1HB ARG 9 -13.989 1.500 1.655
78 HG2 ARG 9 2HG ARG 9 -11.975 0.233 3.511
79 HG3 ARG 9 1HG ARG 9 -13.234 1.366 3.996
80 HD2 ARG 9 2HD ARG 9 -14.951 -0.204 3.301
81 HD3 ARG 9 1HD ARG 9 -13.721 -1.303 2.678
82 HE ARG 9 HE ARG 9 -13.350 -0.699 5.434
83 HH11 ARG 9 1HH1 ARG 9 -15.324 -2.726 3.282
84 HH12 ARG 9 2HH1 ARG 9 -15.438 -4.017 4.379
85 HH21 ARG 9 1HH2 ARG 9 -13.531 -2.480 6.935
86 HH22 ARG 9 2HH2 ARG 9 -14.405 -3.869 6.491
87 H GLY 10 HN GLY 10 -11.176 -0.391 -1.245
88 HA2 GLY 10 2HA GLY 10 -11.620 0.059 -3.542
89 HA3 GLY 10 1HA GLY 10 -12.657 1.389 -3.044
90 H ILE 11 HN ILE 11 -10.306 1.944 -1.074
91 HA ILE 11 HA ILE 11 -8.999 3.794 -2.865
92 HB ILE 11 HB ILE 11 -8.582 3.361 0.112
93 HG12 ILE 11 2HG1 ILE 11 -10.866 4.090 -0.332
94 HG13 ILE 11 1HG1 ILE 11 -9.952 5.386 0.427
95 HG21 ILE 11 1HG2 ILE 11 -6.671 4.432 -0.996
96 HG22 ILE 11 2HG2 ILE 11 -7.485 5.529 0.116
97 HG23 ILE 11 3HG2 ILE 11 -7.742 5.687 -1.622
98 HD11 ILE 11 1HD1 ILE 11 -9.676 6.445 -1.767
99 HD12 ILE 11 2HD1 ILE 11 -11.371 6.245 -1.322
100 HD13 ILE 11 3HD1 ILE 11 -10.635 5.155 -2.495
101 H CYS 12 HN CYS 12 -7.491 2.835 -4.068
102 HA CYS 12 HA CYS 12 -5.771 0.857 -2.790
103 HB2 CYS 12 2HB CYS 12 -6.178 1.485 -5.721
104 HB3 CYS 12 1HB CYS 12 -5.055 0.279 -5.096
105 H TYR 13 HN TYR 13 -3.940 1.507 -2.064
106 HA TYR 13 HA TYR 13 -2.593 3.686 -3.458
107 HB2 TYR 13 2HB TYR 13 -1.856 4.625 -1.291
108 HB3 TYR 13 1HB TYR 13 -3.596 4.692 -1.524
109 HD1 TYR 13 1HD TYR 13 -0.881 2.980 0.326
110 HD2 TYR 13 2HD TYR 13 -5.076 3.613 -0.001
111 HE1 TYR 13 1HE TYR 13 -1.201 1.962 2.525
112 HE2 TYR 13 2HE TYR 13 -5.411 2.593 2.193
113 HH TYR 13 HH TYR 13 -4.333 1.177 3.764
114 H ARG 14 HN ARG 14 -0.311 3.806 -2.991
115 HA ARG 14 HA ARG 14 0.807 1.115 -2.766
116 HB2 ARG 14 2HB ARG 14 2.005 3.687 -3.800
117 HB3 ARG 14 1HB ARG 14 2.831 2.140 -3.745
118 HG2 ARG 14 2HG ARG 14 1.247 1.209 -5.292
119 HG3 ARG 14 1HG ARG 14 0.366 2.751 -5.370
120 HD2 ARG 14 2HD ARG 14 1.847 2.563 -7.279
121 HD3 ARG 14 1HD ARG 14 2.459 3.807 -6.190
122 HE ARG 14 HE ARG 14 3.502 1.116 -5.894
123 HH11 ARG 14 1HH1 ARG 14 4.056 4.398 -7.076
124 HH12 ARG 14 2HH1 ARG 14 5.737 4.220 -7.240
125 HH21 ARG 14 1HH2 ARG 14 5.817 0.861 -6.119
126 HH22 ARG 14 2HH2 ARG 14 6.766 2.173 -6.647
127 H LYS 15 HN LYS 15 2.072 0.629 -1.083
128 HA LYS 15 HA LYS 15 2.981 2.833 0.591
129 HB2 LYS 15 2HB LYS 15 1.025 1.684 1.612
130 HB3 LYS 15 1HB LYS 15 1.925 0.176 1.571
131 HG2 LYS 15 2HG LYS 15 3.588 1.107 3.080
132 HG3 LYS 15 1HG LYS 15 2.717 2.641 3.103
133 HD2 LYS 15 2HD LYS 15 0.757 1.481 4.035
134 HD3 LYS 15 1HD LYS 15 1.682 -0.020 4.065
135 HE2 LYS 15 2HE LYS 15 3.320 1.034 5.547
136 HE3 LYS 15 1HE LYS 15 2.362 2.512 5.545
137 HZ1 LYS 15 1HZ LYS 15 0.540 1.281 6.544
138 HZ2 LYS 15 2HZ LYS 15 1.913 1.212 7.494
139 HZ3 LYS 15 3HZ LYS 15 1.465 -0.128 6.579
140 H CYS 16 HN CYS 16 5.090 2.786 0.828
141 HA CYS 16 HA CYS 16 6.500 0.354 0.052
142 HB2 CYS 16 2HB CYS 16 7.443 3.211 0.171
143 HB3 CYS 16 1HB CYS 16 8.444 1.839 -0.285
144 H ARG 17 HN ARG 17 7.962 -0.587 1.326
145 HA ARG 17 HA ARG 17 8.360 0.523 4.019
146 HB2 ARG 17 2HB ARG 17 8.199 -2.321 3.070
147 HB3 ARG 17 1HB ARG 17 9.007 -1.896 4.562
148 HG2 ARG 17 2HG ARG 17 6.905 -1.018 5.428
149 HG3 ARG 17 1HG ARG 17 6.099 -1.478 3.919
150 HD2 ARG 17 2HD ARG 17 6.677 -3.785 4.251
151 HD3 ARG 17 1HD ARG 17 7.676 -3.367 5.633
152 HE ARG 17 HE ARG 17 4.861 -2.753 5.834
153 HH11 ARG 17 1HH1 ARG 17 7.541 -4.961 6.562
154 HH12 ARG 17 2HH1 ARG 17 6.741 -5.740 7.851
155 HH21 ARG 17 1HH2 ARG 17 3.740 -3.874 7.614
156 HH22 ARG 17 2HH2 ARG 17 4.561 -5.084 8.469
157 HN1 NH2 18 1H ARG 17 9.995 -2.154 2.516
158 HN2 NH2 18 2H ARG 17 11.544 -1.399 2.420
Start of MODEL 17
1 H1 LYS 1 1HT LYS 1 13.154 -0.771 -3.777
2 H2 LYS 1 2HT LYS 1 13.843 -1.995 -2.871
3 H3 LYS 1 3HT LYS 1 14.420 -0.422 -2.703
4 HA LYS 1 HA LYS 1 13.032 -1.069 -0.850
5 HB2 LYS 1 2HB LYS 1 11.439 0.794 -0.918
6 HB3 LYS 1 1HB LYS 1 12.956 1.302 -1.641
7 HG2 LYS 1 2HG LYS 1 11.956 0.912 -3.884
8 HG3 LYS 1 1HG LYS 1 10.428 0.548 -3.094
9 HD2 LYS 1 2HD LYS 1 10.443 2.799 -2.067
10 HD3 LYS 1 1HD LYS 1 11.932 3.165 -2.939
11 HE2 LYS 1 2HE LYS 1 9.271 2.473 -4.196
12 HE3 LYS 1 1HE LYS 1 9.953 4.092 -4.067
13 HZ1 LYS 1 1HZ LYS 1 11.129 1.836 -5.605
14 HZ2 LYS 1 2HZ LYS 1 11.788 3.364 -5.481
15 HZ3 LYS 1 3HZ LYS 1 10.299 3.147 -6.256
16 H TRP 2 HN TRP 2 10.871 -1.780 -0.163
17 HA TRP 2 HA TRP 2 9.578 -3.274 -2.313
18 HB2 TRP 2 2HB TRP 2 10.460 -4.741 -0.558
19 HB3 TRP 2 1HB TRP 2 9.531 -3.872 0.658
20 HD1 TRP 2 1HD TRP 2 8.691 -5.731 -2.645
21 HE1 TRP 2 1HE TRP 2 6.528 -7.095 -2.273
22 HE3 TRP 2 3HE TRP 2 7.776 -4.464 2.206
23 HZ2 TRP 2 2HZ TRP 2 4.684 -7.561 -0.181
24 HZ3 TRP 2 3HZ TRP 2 5.803 -5.411 3.325
25 HH2 TRP 2 2HH TRP 2 4.294 -6.926 2.155
26 H CYS 3 HN CYS 3 7.770 -2.549 -3.001
27 HA CYS 3 HA CYS 3 6.094 -0.947 -1.222
28 HB2 CYS 3 2HB CYS 3 6.474 -0.621 -4.202
29 HB3 CYS 3 1HB CYS 3 5.371 0.310 -3.205
30 H PHE 4 HN PHE 4 4.119 -1.620 -0.997
31 HA PHE 4 HA PHE 4 3.116 -3.595 -2.883
32 HB2 PHE 4 2HB PHE 4 1.788 -4.512 -0.948
33 HB3 PHE 4 1HB PHE 4 3.521 -4.781 -0.828
34 HD1 PHE 4 1HD PHE 4 4.847 -3.419 0.776
35 HD2 PHE 4 2HD PHE 4 0.601 -3.272 0.682
36 HE1 PHE 4 1HE PHE 4 4.835 -2.431 3.020
37 HE2 PHE 4 2HE PHE 4 0.589 -2.281 2.925
38 HZ PHE 4 HZ PHE 4 2.712 -1.858 4.097
39 H ARG 5 HN ARG 5 0.746 -3.551 -3.025
40 HA ARG 5 HA ARG 5 -0.097 -0.776 -2.753
41 HB2 ARG 5 2HB ARG 5 -0.050 -1.670 -5.070
42 HB3 ARG 5 1HB ARG 5 -1.204 -2.898 -4.586
43 HG2 ARG 5 2HG ARG 5 -2.891 -1.253 -4.163
44 HG3 ARG 5 1HG ARG 5 -1.741 0.056 -4.438
45 HD2 ARG 5 2HD ARG 5 -2.591 -1.980 -6.484
46 HD3 ARG 5 1HD ARG 5 -3.206 -0.330 -6.370
47 HE ARG 5 HE ARG 5 -0.391 -0.331 -6.539
48 HH11 ARG 5 1HH1 ARG 5 -3.270 -0.768 -8.518
49 HH12 ARG 5 2HH1 ARG 5 -2.509 -0.333 -9.981
50 HH21 ARG 5 1HH2 ARG 5 0.654 0.292 -8.505
51 HH22 ARG 5 2HH2 ARG 5 -0.193 0.277 -9.979
52 H VAL 6 HN VAL 6 -1.715 -0.303 -1.516
53 HA VAL 6 HA VAL 6 -3.068 -2.521 -0.178
54 HB VAL 6 HB VAL 6 -2.738 0.356 0.715
55 HG11 VAL 6 1HG1 VAL 6 -3.901 -2.019 2.153
56 HG12 VAL 6 2HG1 VAL 6 -4.796 -0.630 1.542
57 HG13 VAL 6 3HG1 VAL 6 -3.643 -0.425 2.863
58 HG21 VAL 6 1HG2 VAL 6 -0.627 -0.837 0.815
59 HG22 VAL 6 2HG2 VAL 6 -1.393 -2.136 1.727
60 HG23 VAL 6 3HG2 VAL 6 -1.247 -0.527 2.436
61 H CYS 7 HN CYS 7 -5.098 -2.763 -0.754
62 HA CYS 7 HA CYS 7 -6.518 -0.403 -1.689
63 HB2 CYS 7 2HB CYS 7 -7.082 -3.341 -2.156
64 HB3 CYS 7 1HB CYS 7 -8.184 -2.047 -2.609
65 H TYR 8 HN TYR 8 -7.477 0.480 -0.164
66 HA TYR 8 HA TYR 8 -8.513 -1.129 2.053
67 HB2 TYR 8 2HB TYR 8 -6.558 0.458 2.435
68 HB3 TYR 8 1HB TYR 8 -7.657 1.765 2.048
69 HD1 TYR 8 1HD TYR 8 -9.183 2.605 3.687
70 HD2 TYR 8 2HD TYR 8 -6.938 -0.920 4.456
71 HE1 TYR 8 1HE TYR 8 -9.821 2.718 6.056
72 HE2 TYR 8 2HE TYR 8 -7.563 -0.827 6.804
73 HH TYR 8 HH TYR 8 -8.297 0.793 8.430
74 H ARG 9 HN ARG 9 -10.601 -1.389 1.398
75 HA ARG 9 HA ARG 9 -12.790 -0.912 1.076
76 HB2 ARG 9 2HB ARG 9 -11.997 1.893 1.869
77 HB3 ARG 9 1HB ARG 9 -13.644 1.288 1.777
78 HG2 ARG 9 2HG ARG 9 -13.198 -0.271 3.571
79 HG3 ARG 9 1HG ARG 9 -11.513 0.243 3.622
80 HD2 ARG 9 2HD ARG 9 -12.183 2.483 4.202
81 HD3 ARG 9 1HD ARG 9 -13.883 2.025 4.121
82 HE ARG 9 HE ARG 9 -12.999 0.325 5.921
83 HH11 ARG 9 1HH1 ARG 9 -12.255 3.761 5.600
84 HH12 ARG 9 2HH1 ARG 9 -12.202 4.074 7.270
85 HH21 ARG 9 1HH2 ARG 9 -12.907 0.752 8.254
86 HH22 ARG 9 2HH2 ARG 9 -12.593 2.322 8.823
87 H GLY 10 HN GLY 10 -10.824 -0.629 -1.061
88 HA2 GLY 10 2HA GLY 10 -11.352 -0.353 -3.362
89 HA3 GLY 10 1HA GLY 10 -12.497 0.908 -2.911
90 H ILE 11 HN ILE 11 -10.163 1.797 -1.031
91 HA ILE 11 HA ILE 11 -9.049 3.640 -2.969
92 HB ILE 11 HB ILE 11 -8.543 3.436 0.025
93 HG12 ILE 11 2HG1 ILE 11 -10.908 3.927 -0.407
94 HG13 ILE 11 1HG1 ILE 11 -10.099 5.328 0.280
95 HG21 ILE 11 1HG2 ILE 11 -7.969 5.708 -1.871
96 HG22 ILE 11 2HG2 ILE 11 -6.774 4.605 -1.207
97 HG23 ILE 11 3HG2 ILE 11 -7.652 5.699 -0.134
98 HD11 ILE 11 1HD1 ILE 11 -10.819 4.923 -2.619
99 HD12 ILE 11 2HD1 ILE 11 -9.962 6.318 -1.965
100 HD13 ILE 11 3HD1 ILE 11 -11.625 5.992 -1.470
101 H CYS 12 HN CYS 12 -7.508 2.699 -4.167
102 HA CYS 12 HA CYS 12 -5.608 0.912 -2.866
103 HB2 CYS 12 2HB CYS 12 -6.138 1.407 -5.798
104 HB3 CYS 12 1HB CYS 12 -4.972 0.259 -5.147
105 H TYR 13 HN TYR 13 -3.808 1.683 -2.222
106 HA TYR 13 HA TYR 13 -2.501 3.788 -3.752
107 HB2 TYR 13 2HB TYR 13 -1.793 4.876 -1.622
108 HB3 TYR 13 1HB TYR 13 -3.523 4.923 -1.919
109 HD1 TYR 13 1HD TYR 13 -5.065 3.919 -0.412
110 HD2 TYR 13 2HD TYR 13 -0.893 3.345 0.147
111 HE1 TYR 13 1HE TYR 13 -5.507 3.037 1.821
112 HE2 TYR 13 2HE TYR 13 -1.314 2.455 2.399
113 HH TYR 13 HH TYR 13 -3.056 2.617 4.122
114 H ARG 14 HN ARG 14 -0.183 3.960 -3.255
115 HA ARG 14 HA ARG 14 0.921 1.284 -2.946
116 HB2 ARG 14 2HB ARG 14 1.555 2.681 -4.924
117 HB3 ARG 14 1HB ARG 14 2.273 3.848 -3.819
118 HG2 ARG 14 2HG ARG 14 3.775 2.006 -3.029
119 HG3 ARG 14 1HG ARG 14 3.161 1.034 -4.367
120 HD2 ARG 14 2HD ARG 14 4.592 3.680 -4.556
121 HD3 ARG 14 1HD ARG 14 5.240 2.104 -5.003
122 HE ARG 14 HE ARG 14 2.910 2.569 -6.476
123 HH11 ARG 14 1HH1 ARG 14 6.217 3.801 -6.251
124 HH12 ARG 14 2HH1 ARG 14 6.289 4.319 -7.870
125 HH21 ARG 14 1HH2 ARG 14 2.977 3.322 -8.663
126 HH22 ARG 14 2HH2 ARG 14 4.375 4.067 -9.283
127 H LYS 15 HN LYS 15 1.819 0.730 -1.097
128 HA LYS 15 HA LYS 15 2.738 2.857 0.698
129 HB2 LYS 15 2HB LYS 15 0.693 1.610 1.469
130 HB3 LYS 15 1HB LYS 15 1.641 0.136 1.440
131 HG2 LYS 15 2HG LYS 15 3.123 1.060 3.159
132 HG3 LYS 15 1HG LYS 15 2.155 2.535 3.192
133 HD2 LYS 15 2HD LYS 15 0.191 1.228 3.866
134 HD3 LYS 15 1HD LYS 15 1.161 -0.243 3.836
135 HE2 LYS 15 2HE LYS 15 2.634 0.769 5.559
136 HE3 LYS 15 1HE LYS 15 1.536 2.141 5.633
137 HZ1 LYS 15 1HZ LYS 15 -0.240 0.620 6.323
138 HZ2 LYS 15 2HZ LYS 15 1.043 0.581 7.390
139 HZ3 LYS 15 3HZ LYS 15 0.832 -0.674 6.288
140 H CYS 16 HN CYS 16 4.869 2.789 0.950
141 HA CYS 16 HA CYS 16 6.230 0.302 0.248
142 HB2 CYS 16 2HB CYS 16 7.338 3.107 0.390
143 HB3 CYS 16 1HB CYS 16 8.210 1.673 -0.143
144 H ARG 17 HN ARG 17 7.444 -0.730 1.673
145 HA ARG 17 HA ARG 17 7.964 0.513 4.257
146 HB2 ARG 17 2HB ARG 17 5.759 -0.728 4.349
147 HB3 ARG 17 1HB ARG 17 6.630 -2.200 3.974
148 HG2 ARG 17 2HG ARG 17 6.221 -2.160 6.315
149 HG3 ARG 17 1HG ARG 17 7.941 -1.873 6.056
150 HD2 ARG 17 2HD ARG 17 7.612 0.520 6.380
151 HD3 ARG 17 1HD ARG 17 5.876 0.269 6.569
152 HE ARG 17 HE ARG 17 7.663 -1.124 8.391
153 HH11 ARG 17 1HH1 ARG 17 5.402 1.582 7.918
154 HH12 ARG 17 2HH1 ARG 17 5.180 1.855 9.579
155 HH21 ARG 17 1HH2 ARG 17 7.330 -0.734 10.678
156 HH22 ARG 17 2HH2 ARG 17 6.275 0.507 11.177
157 HN1 NH2 18 1H ARG 17 8.113 -2.886 3.360
158 HN2 NH2 18 2H ARG 17 9.825 -2.996 3.247
Start of MODEL 18
1 H1 LYS 1 1HT LYS 1 13.402 -0.680 0.294
2 H2 LYS 1 2HT LYS 1 11.768 -1.118 0.327
3 H3 LYS 1 3HT LYS 1 12.309 0.025 -0.759
4 HA LYS 1 HA LYS 1 13.599 -1.485 -1.945
5 HB2 LYS 1 2HB LYS 1 12.554 -3.517 0.034
6 HB3 LYS 1 1HB LYS 1 13.352 -3.937 -1.464
7 HG2 LYS 1 2HG LYS 1 14.582 -2.372 0.795
8 HG3 LYS 1 1HG LYS 1 14.841 -4.083 0.474
9 HD2 LYS 1 2HD LYS 1 15.734 -3.452 -1.773
10 HD3 LYS 1 1HD LYS 1 15.617 -1.761 -1.286
11 HE2 LYS 1 2HE LYS 1 17.879 -2.526 -0.947
12 HE3 LYS 1 1HE LYS 1 17.117 -2.248 0.614
13 HZ1 LYS 1 1HZ LYS 1 16.760 -4.610 0.857
14 HZ2 LYS 1 2HZ LYS 1 18.381 -4.301 0.573
15 HZ3 LYS 1 3HZ LYS 1 17.414 -4.904 -0.672
16 H TRP 2 HN TRP 2 10.626 -3.119 -0.731
17 HA TRP 2 HA TRP 2 9.606 -2.699 -3.424
18 HB2 TRP 2 2HB TRP 2 9.048 -4.983 -1.535
19 HB3 TRP 2 1HB TRP 2 8.226 -4.735 -3.072
20 HD1 TRP 2 1HD TRP 2 9.889 -4.804 -5.305
21 HE1 TRP 2 1HE TRP 2 11.960 -6.283 -5.728
22 HE3 TRP 2 3HE TRP 2 10.916 -6.150 -0.490
23 HZ2 TRP 2 2HZ TRP 2 13.778 -7.817 -4.213
24 HZ3 TRP 2 3HZ TRP 2 12.833 -7.630 -0.058
25 HH2 TRP 2 2HH TRP 2 14.234 -8.444 -1.887
26 H CYS 3 HN CYS 3 7.583 -2.073 -3.746
27 HA CYS 3 HA CYS 3 6.207 -0.927 -1.439
28 HB2 CYS 3 2HB CYS 3 6.179 -0.201 -4.361
29 HB3 CYS 3 1HB CYS 3 5.140 0.520 -3.142
30 H PHE 4 HN PHE 4 4.202 -1.566 -1.034
31 HA PHE 4 HA PHE 4 2.987 -3.405 -2.937
32 HB2 PHE 4 2HB PHE 4 1.812 -4.417 -1.002
33 HB3 PHE 4 1HB PHE 4 3.551 -4.684 -0.988
34 HD1 PHE 4 1HD PHE 4 4.947 -3.293 0.628
35 HD2 PHE 4 2HD PHE 4 0.691 -3.412 0.787
36 HE1 PHE 4 1HE PHE 4 5.011 -2.461 2.936
37 HE2 PHE 4 2HE PHE 4 0.756 -2.582 3.088
38 HZ PHE 4 HZ PHE 4 2.909 -2.100 4.169
39 H ARG 5 HN ARG 5 0.734 -3.335 -3.121
40 HA ARG 5 HA ARG 5 -0.259 -0.655 -2.578
41 HB2 ARG 5 2HB ARG 5 -0.085 -1.365 -4.951
42 HB3 ARG 5 1HB ARG 5 -1.231 -2.656 -4.615
43 HG2 ARG 5 2HG ARG 5 -2.892 -0.946 -3.972
44 HG3 ARG 5 1HG ARG 5 -1.740 0.305 -4.443
45 HD2 ARG 5 2HD ARG 5 -3.256 -0.040 -6.256
46 HD3 ARG 5 1HD ARG 5 -1.689 -0.704 -6.720
47 HE ARG 5 HE ARG 5 -2.979 -2.840 -5.686
48 HH11 ARG 5 1HH1 ARG 5 -3.920 -0.488 -8.162
49 HH12 ARG 5 2HH1 ARG 5 -4.863 -1.599 -9.040
50 HH21 ARG 5 1HH2 ARG 5 -4.283 -4.360 -6.890
51 HH22 ARG 5 2HH2 ARG 5 -5.096 -3.839 -8.284
52 H VAL 6 HN VAL 6 -1.783 -0.477 -1.142
53 HA VAL 6 HA VAL 6 -3.145 -2.886 -0.195
54 HB VAL 6 HB VAL 6 -2.976 -0.136 1.085
55 HG11 VAL 6 1HG1 VAL 6 -5.017 -1.364 1.724
56 HG12 VAL 6 2HG1 VAL 6 -3.916 -1.172 3.072
57 HG13 VAL 6 3HG1 VAL 6 -4.026 -2.725 2.255
58 HG21 VAL 6 1HG2 VAL 6 -0.809 -1.227 1.087
59 HG22 VAL 6 2HG2 VAL 6 -1.524 -2.675 1.799
60 HG23 VAL 6 3HG2 VAL 6 -1.477 -1.173 2.717
61 H CYS 7 HN CYS 7 -5.228 -3.100 -0.675
62 HA CYS 7 HA CYS 7 -6.609 -0.771 -1.767
63 HB2 CYS 7 2HB CYS 7 -7.015 -3.724 -2.245
64 HB3 CYS 7 1HB CYS 7 -8.178 -2.505 -2.746
65 H TYR 8 HN TYR 8 -7.780 0.174 -0.321
66 HA TYR 8 HA TYR 8 -9.274 -1.516 1.543
67 HB2 TYR 8 2HB TYR 8 -7.182 -0.252 2.444
68 HB3 TYR 8 1HB TYR 8 -8.176 1.184 2.265
69 HD1 TYR 8 1HD TYR 8 -7.407 -1.611 4.340
70 HD2 TYR 8 2HD TYR 8 -10.443 1.253 3.529
71 HE1 TYR 8 1HE TYR 8 -8.407 -2.095 6.479
72 HE2 TYR 8 2HE TYR 8 -11.471 0.786 5.688
73 HH TYR 8 HH TYR 8 -9.959 -1.048 8.127
74 H ARG 9 HN ARG 9 -11.339 -1.124 1.342
75 HA ARG 9 HA ARG 9 -13.324 -0.316 0.731
76 HB2 ARG 9 2HB ARG 9 -13.970 1.911 1.556
77 HB3 ARG 9 1HB ARG 9 -13.014 1.025 2.714
78 HG2 ARG 9 2HG ARG 9 -11.060 2.430 2.140
79 HG3 ARG 9 1HG ARG 9 -12.068 3.292 0.991
80 HD2 ARG 9 2HD ARG 9 -11.776 4.359 3.259
81 HD3 ARG 9 1HD ARG 9 -13.428 4.214 2.660
82 HE ARG 9 HE ARG 9 -13.635 2.242 4.092
83 HH11 ARG 9 1HH1 ARG 9 -11.046 4.511 4.960
84 HH12 ARG 9 2HH1 ARG 9 -11.170 4.187 6.630
85 HH21 ARG 9 1HH2 ARG 9 -13.757 1.825 6.410
86 HH22 ARG 9 2HH2 ARG 9 -12.704 2.636 7.457
87 H GLY 10 HN GLY 10 -11.402 -0.357 -1.370
88 HA2 GLY 10 2HA GLY 10 -11.933 -0.044 -3.656
89 HA3 GLY 10 1HA GLY 10 -12.877 1.376 -3.213
90 H ILE 11 HN ILE 11 -10.351 1.879 -1.414
91 HA ILE 11 HA ILE 11 -9.040 3.552 -3.402
92 HB ILE 11 HB ILE 11 -8.774 3.516 -0.382
93 HG12 ILE 11 2HG1 ILE 11 -11.059 4.147 -1.050
94 HG13 ILE 11 1HG1 ILE 11 -10.202 5.505 -0.338
95 HG21 ILE 11 1HG2 ILE 11 -7.745 5.733 -0.656
96 HG22 ILE 11 2HG2 ILE 11 -7.837 5.544 -2.407
97 HG23 ILE 11 3HG2 ILE 11 -6.824 4.457 -1.453
98 HD11 ILE 11 1HD1 ILE 11 -11.529 6.195 -2.248
99 HD12 ILE 11 2HD1 ILE 11 -10.682 5.038 -3.274
100 HD13 ILE 11 3HD1 ILE 11 -9.810 6.406 -2.581
101 H CYS 12 HN CYS 12 -7.410 2.487 -4.346
102 HA CYS 12 HA CYS 12 -5.769 0.729 -2.695
103 HB2 CYS 12 2HB CYS 12 -5.831 1.084 -5.701
104 HB3 CYS 12 1HB CYS 12 -4.804 -0.048 -4.830
105 H TYR 13 HN TYR 13 -3.994 1.481 -1.884
106 HA TYR 13 HA TYR 13 -2.648 3.715 -3.217
107 HB2 TYR 13 2HB TYR 13 -2.183 4.685 -0.983
108 HB3 TYR 13 1HB TYR 13 -3.901 4.622 -1.361
109 HD1 TYR 13 1HD TYR 13 -5.386 3.107 -0.137
110 HD2 TYR 13 2HD TYR 13 -1.242 3.346 0.791
111 HE1 TYR 13 1HE TYR 13 -5.803 1.957 1.967
112 HE2 TYR 13 2HE TYR 13 -1.637 2.207 2.897
113 HH TYR 13 HH TYR 13 -3.504 1.831 4.449
114 H ARG 14 HN ARG 14 -0.376 3.967 -2.239
115 HA ARG 14 HA ARG 14 0.771 1.276 -2.158
116 HB2 ARG 14 2HB ARG 14 1.426 2.259 -4.176
117 HB3 ARG 14 1HB ARG 14 1.711 3.821 -3.425
118 HG2 ARG 14 2HG ARG 14 3.636 2.880 -2.238
119 HG3 ARG 14 1HG ARG 14 3.334 1.337 -3.033
120 HD2 ARG 14 2HD ARG 14 3.794 3.866 -4.575
121 HD3 ARG 14 1HD ARG 14 5.129 2.860 -4.023
122 HE ARG 14 HE ARG 14 3.266 1.265 -5.371
123 HH11 ARG 14 1HH1 ARG 14 5.609 3.821 -6.045
124 HH12 ARG 14 2HH1 ARG 14 6.020 3.223 -7.585
125 HH21 ARG 14 1HH2 ARG 14 3.862 0.438 -7.500
126 HH22 ARG 14 2HH2 ARG 14 5.011 1.290 -8.426
127 H LYS 15 HN LYS 15 1.973 0.680 -0.496
128 HA LYS 15 HA LYS 15 3.064 2.751 1.275
129 HB2 LYS 15 2HB LYS 15 2.328 -0.114 1.971
130 HB3 LYS 15 1HB LYS 15 3.054 1.046 3.071
131 HG2 LYS 15 2HG LYS 15 1.025 2.461 2.841
132 HG3 LYS 15 1HG LYS 15 0.306 1.203 1.838
133 HD2 LYS 15 2HD LYS 15 -0.533 0.969 4.112
134 HD3 LYS 15 1HD LYS 15 0.536 -0.382 3.750
135 HE2 LYS 15 2HE LYS 15 2.335 0.649 4.965
136 HE3 LYS 15 1HE LYS 15 1.376 2.104 5.243
137 HZ1 LYS 15 1HZ LYS 15 -0.143 0.732 6.574
138 HZ2 LYS 15 2HZ LYS 15 1.416 0.716 7.183
139 HZ3 LYS 15 3HZ LYS 15 0.845 -0.618 6.336
140 H CYS 16 HN CYS 16 5.291 2.542 1.792
141 HA CYS 16 HA CYS 16 6.743 0.420 0.370
142 HB2 CYS 16 2HB CYS 16 7.403 3.357 0.284
143 HB3 CYS 16 1HB CYS 16 8.354 2.065 -0.424
144 H ARG 17 HN ARG 17 8.616 -0.227 1.349
145 HA ARG 17 HA ARG 17 9.464 1.187 3.765
146 HB2 ARG 17 2HB ARG 17 9.108 -1.788 3.401
147 HB3 ARG 17 1HB ARG 17 10.126 -1.120 4.661
148 HG2 ARG 17 2HG ARG 17 7.168 -0.639 4.344
149 HG3 ARG 17 1HG ARG 17 7.925 -1.730 5.509
150 HD2 ARG 17 2HD ARG 17 9.136 0.241 6.459
151 HD3 ARG 17 1HD ARG 17 8.198 1.280 5.385
152 HE ARG 17 HE ARG 17 6.563 -0.432 6.932
153 HH11 ARG 17 1HH1 ARG 17 8.386 2.623 7.132
154 HH12 ARG 17 2HH1 ARG 17 7.419 3.259 8.371
155 HH21 ARG 17 1HH2 ARG 17 5.288 0.459 8.667
156 HH22 ARG 17 2HH2 ARG 17 5.644 2.004 9.274
157 HN1 NH2 18 1H ARG 17 11.138 2.180 2.812
158 HN2 NH2 18 2H ARG 17 12.469 1.365 2.088
Start of MODEL 19
1 H1 LYS 1 1HT LYS 1 13.532 0.846 -4.064
2 H2 LYS 1 2HT LYS 1 12.581 -0.255 -4.962
3 H3 LYS 1 3HT LYS 1 13.400 -0.776 -3.602
4 HA LYS 1 HA LYS 1 12.089 0.492 -2.179
5 HB2 LYS 1 2HB LYS 1 10.083 1.693 -3.105
6 HB3 LYS 1 1HB LYS 1 11.617 2.445 -3.510
7 HG2 LYS 1 2HG LYS 1 11.495 1.475 -5.755
8 HG3 LYS 1 1HG LYS 1 9.958 0.710 -5.341
9 HD2 LYS 1 2HD LYS 1 8.944 2.891 -5.011
10 HD3 LYS 1 1HD LYS 1 10.490 3.680 -5.324
11 HE2 LYS 1 2HE LYS 1 9.073 3.780 -7.295
12 HE3 LYS 1 1HE LYS 1 10.486 2.778 -7.599
13 HZ1 LYS 1 1HZ LYS 1 8.521 1.768 -8.492
14 HZ2 LYS 1 2HZ LYS 1 7.735 1.766 -7.019
15 HZ3 LYS 1 3HZ LYS 1 9.104 0.803 -7.258
16 H TRP 2 HN TRP 2 10.903 -0.951 -1.153
17 HA TRP 2 HA TRP 2 9.401 -2.820 -2.804
18 HB2 TRP 2 2HB TRP 2 10.598 -3.217 -0.058
19 HB3 TRP 2 1HB TRP 2 9.440 -4.332 -0.772
20 HD1 TRP 2 1HD TRP 2 10.325 -5.203 -3.373
21 HE1 TRP 2 1HE TRP 2 12.651 -6.133 -3.959
22 HE3 TRP 2 3HE TRP 2 12.968 -3.260 0.539
23 HZ2 TRP 2 2HZ TRP 2 15.260 -6.067 -2.877
24 HZ3 TRP 2 3HZ TRP 2 15.375 -3.748 0.695
25 HH2 TRP 2 2HH TRP 2 16.491 -5.122 -0.985
26 H CYS 3 HN CYS 3 7.407 -2.322 -2.936
27 HA CYS 3 HA CYS 3 5.995 -1.301 -0.592
28 HB2 CYS 3 2HB CYS 3 5.646 -0.284 -3.417
29 HB3 CYS 3 1HB CYS 3 4.916 0.356 -1.951
30 H PHE 4 HN PHE 4 3.921 -2.086 -0.481
31 HA PHE 4 HA PHE 4 3.146 -3.902 -2.623
32 HB2 PHE 4 2HB PHE 4 1.746 -5.030 -0.843
33 HB3 PHE 4 1HB PHE 4 3.478 -5.365 -0.792
34 HD1 PHE 4 1HD PHE 4 4.853 -4.147 0.973
35 HD2 PHE 4 2HD PHE 4 0.598 -4.142 0.974
36 HE1 PHE 4 1HE PHE 4 4.857 -3.484 3.338
37 HE2 PHE 4 2HE PHE 4 0.605 -3.473 3.337
38 HZ PHE 4 HZ PHE 4 2.729 -3.148 4.516
39 H ARG 5 HN ARG 5 0.988 -3.940 -3.219
40 HA ARG 5 HA ARG 5 -0.147 -1.328 -2.834
41 HB2 ARG 5 2HB ARG 5 0.150 -2.317 -5.115
42 HB3 ARG 5 1HB ARG 5 -1.063 -3.517 -4.694
43 HG2 ARG 5 2HG ARG 5 -2.707 -1.722 -4.385
44 HG3 ARG 5 1HG ARG 5 -1.486 -0.543 -4.863
45 HD2 ARG 5 2HD ARG 5 -1.250 -1.784 -7.017
46 HD3 ARG 5 1HD ARG 5 -2.627 -2.772 -6.531
47 HE ARG 5 HE ARG 5 -2.787 0.151 -6.824
48 HH11 ARG 5 1HH1 ARG 5 -4.189 -3.044 -7.400
49 HH12 ARG 5 2HH1 ARG 5 -5.498 -2.424 -8.311
50 HH21 ARG 5 1HH2 ARG 5 -4.573 0.949 -8.027
51 HH22 ARG 5 2HH2 ARG 5 -5.752 -0.107 -8.640
52 H VAL 6 HN VAL 6 -1.734 -0.993 -1.502
53 HA VAL 6 HA VAL 6 -3.301 -3.293 -0.542
54 HB VAL 6 HB VAL 6 -2.820 -0.652 0.877
55 HG11 VAL 6 1HG1 VAL 6 -4.079 -3.199 1.872
56 HG12 VAL 6 2HG1 VAL 6 -4.937 -1.707 1.496
57 HG13 VAL 6 3HG1 VAL 6 -3.803 -1.752 2.840
58 HG21 VAL 6 1HG2 VAL 6 -1.573 -3.339 1.426
59 HG22 VAL 6 2HG2 VAL 6 -1.365 -1.885 2.407
60 HG23 VAL 6 3HG2 VAL 6 -0.751 -1.933 0.755
61 H CYS 7 HN CYS 7 -5.434 -3.200 -0.934
62 HA CYS 7 HA CYS 7 -6.520 -0.651 -1.837
63 HB2 CYS 7 2HB CYS 7 -7.376 -3.481 -2.471
64 HB3 CYS 7 1HB CYS 7 -8.330 -2.059 -2.880
65 H TYR 8 HN TYR 8 -7.489 0.327 -0.287
66 HA TYR 8 HA TYR 8 -9.059 -1.281 1.599
67 HB2 TYR 8 2HB TYR 8 -6.874 -0.158 2.430
68 HB3 TYR 8 1HB TYR 8 -7.754 1.352 2.250
69 HD1 TYR 8 1HD TYR 8 -10.068 1.492 3.566
70 HD2 TYR 8 2HD TYR 8 -6.977 -1.317 4.400
71 HE1 TYR 8 1HE TYR 8 -10.959 1.183 5.823
72 HE2 TYR 8 2HE TYR 8 -7.845 -1.640 6.624
73 HH TYR 8 HH TYR 8 -9.237 -0.383 8.270
74 H ARG 9 HN ARG 9 -11.111 -0.816 1.319
75 HA ARG 9 HA ARG 9 -13.084 0.124 0.813
76 HB2 ARG 9 2HB ARG 9 -13.627 2.330 1.713
77 HB3 ARG 9 1HB ARG 9 -12.639 1.438 2.841
78 HG2 ARG 9 2HG ARG 9 -10.710 2.800 2.284
79 HG3 ARG 9 1HG ARG 9 -11.620 3.582 1.004
80 HD2 ARG 9 2HD ARG 9 -12.483 3.676 3.872
81 HD3 ARG 9 1HD ARG 9 -11.388 4.851 3.144
82 HE ARG 9 HE ARG 9 -13.468 4.842 1.442
83 HH11 ARG 9 1HH1 ARG 9 -13.326 5.274 4.955
84 HH12 ARG 9 2HH1 ARG 9 -14.640 6.338 5.019
85 HH21 ARG 9 1HH2 ARG 9 -15.230 6.299 1.500
86 HH22 ARG 9 2HH2 ARG 9 -15.791 6.935 2.969
87 H GLY 10 HN GLY 10 -11.117 0.128 -1.313
88 HA2 GLY 10 2HA GLY 10 -11.618 0.575 -3.591
89 HA3 GLY 10 1HA GLY 10 -12.535 1.986 -3.082
90 H ILE 11 HN ILE 11 -9.885 2.174 -1.272
91 HA ILE 11 HA ILE 11 -8.494 3.872 -3.192
92 HB ILE 11 HB ILE 11 -8.258 3.715 -0.176
93 HG12 ILE 11 2HG1 ILE 11 -10.456 4.533 -0.893
94 HG13 ILE 11 1HG1 ILE 11 -9.524 5.784 -0.089
95 HG21 ILE 11 1HG2 ILE 11 -6.210 4.524 -1.219
96 HG22 ILE 11 2HG2 ILE 11 -7.026 5.844 -0.375
97 HG23 ILE 11 3HG2 ILE 11 -7.129 5.722 -2.129
98 HD11 ILE 11 1HD1 ILE 11 -9.928 5.489 -3.066
99 HD12 ILE 11 2HD1 ILE 11 -8.993 6.762 -2.283
100 HD13 ILE 11 3HD1 ILE 11 -10.734 6.657 -2.021
101 H CYS 12 HN CYS 12 -6.982 2.731 -4.192
102 HA CYS 12 HA CYS 12 -5.457 0.761 -2.695
103 HB2 CYS 12 2HB CYS 12 -5.565 1.319 -5.665
104 HB3 CYS 12 1HB CYS 12 -4.672 0.013 -4.897
105 H TYR 13 HN TYR 13 -3.501 1.190 -2.074
106 HA TYR 13 HA TYR 13 -2.056 3.406 -3.308
107 HB2 TYR 13 2HB TYR 13 -1.277 4.076 -1.019
108 HB3 TYR 13 1HB TYR 13 -2.985 4.364 -1.319
109 HD1 TYR 13 1HD TYR 13 -0.550 2.377 0.611
110 HD2 TYR 13 2HD TYR 13 -4.686 3.084 -0.145
111 HE1 TYR 13 1HE TYR 13 -1.141 1.143 2.637
112 HE2 TYR 13 2HE TYR 13 -5.267 1.842 1.885
113 HH TYR 13 HH TYR 13 -2.935 0.998 4.193
114 H ARG 14 HN ARG 14 0.269 3.338 -2.719
115 HA ARG 14 HA ARG 14 1.200 0.558 -2.625
116 HB2 ARG 14 2HB ARG 14 2.764 3.044 -3.353
117 HB3 ARG 14 1HB ARG 14 3.276 1.379 -3.557
118 HG2 ARG 14 2HG ARG 14 1.007 2.692 -5.021
119 HG3 ARG 14 1HG ARG 14 2.627 2.448 -5.665
120 HD2 ARG 14 2HD ARG 14 2.342 0.041 -5.482
121 HD3 ARG 14 1HD ARG 14 0.734 0.272 -4.791
122 HE ARG 14 HE ARG 14 0.452 1.585 -7.032
123 HH11 ARG 14 1HH1 ARG 14 2.020 -1.567 -6.545
124 HH12 ARG 14 2HH1 ARG 14 1.621 -2.163 -8.070
125 HH21 ARG 14 1HH2 ARG 14 -0.115 0.732 -9.173
126 HH22 ARG 14 2HH2 ARG 14 0.362 -0.831 -9.600
127 H LYS 15 HN LYS 15 1.498 0.037 -0.558
128 HA LYS 15 HA LYS 15 2.406 2.056 1.301
129 HB2 LYS 15 2HB LYS 15 0.607 0.381 1.876
130 HB3 LYS 15 1HB LYS 15 1.851 -0.860 1.833
131 HG2 LYS 15 2HG LYS 15 3.071 0.254 3.602
132 HG3 LYS 15 1HG LYS 15 1.873 1.547 3.622
133 HD2 LYS 15 2HD LYS 15 0.158 -0.087 4.258
134 HD3 LYS 15 1HD LYS 15 1.393 -1.346 4.293
135 HE2 LYS 15 2HE LYS 15 1.356 1.153 5.968
136 HE3 LYS 15 1HE LYS 15 0.935 -0.461 6.551
137 HZ1 LYS 15 1HZ LYS 15 3.615 0.471 5.622
138 HZ2 LYS 15 2HZ LYS 15 3.260 -1.128 6.046
139 HZ3 LYS 15 3HZ LYS 15 3.160 0.074 7.190
140 H CYS 16 HN CYS 16 4.463 2.397 1.506
141 HA CYS 16 HA CYS 16 6.343 0.357 0.605
142 HB2 CYS 16 2HB CYS 16 6.709 3.320 1.060
143 HB3 CYS 16 1HB CYS 16 7.970 2.221 0.509
144 H ARG 17 HN ARG 17 8.146 -0.186 1.845
145 HA ARG 17 HA ARG 17 7.619 0.053 4.705
146 HB2 ARG 17 2HB ARG 17 9.602 -1.715 3.289
147 HB3 ARG 17 1HB ARG 17 9.126 -1.830 4.977
148 HG2 ARG 17 2HG ARG 17 6.864 -2.475 4.270
149 HG3 ARG 17 1HG ARG 17 7.372 -2.364 2.584
150 HD2 ARG 17 2HD ARG 17 8.364 -4.283 4.685
151 HD3 ARG 17 1HD ARG 17 7.482 -4.660 3.202
152 HE ARG 17 HE ARG 17 10.069 -3.357 2.939
153 HH11 ARG 17 1HH1 ARG 17 8.213 -6.351 2.509
154 HH12 ARG 17 2HH1 ARG 17 9.518 -7.165 1.781
155 HH21 ARG 17 1HH2 ARG 17 11.775 -4.468 1.974
156 HH22 ARG 17 2HH2 ARG 17 11.566 -6.074 1.443
157 HN1 NH2 18 1H ARG 17 10.716 -0.324 3.039
158 HN2 NH2 18 2H ARG 17 11.466 1.051 3.763
Start of MODEL 20
1 H1 LYS 1 1HT LYS 1 14.255 -0.987 0.657
2 H2 LYS 1 2HT LYS 1 14.144 -1.615 -0.922
3 H3 LYS 1 3HT LYS 1 13.347 -2.370 0.347
4 HA LYS 1 HA LYS 1 11.903 -0.633 0.679
5 HB2 LYS 1 2HB LYS 1 11.924 1.330 -0.939
6 HB3 LYS 1 1HB LYS 1 13.187 1.306 0.277
7 HG2 LYS 1 2HG LYS 1 14.718 0.330 -1.482
8 HG3 LYS 1 1HG LYS 1 13.439 0.642 -2.651
9 HD2 LYS 1 2HD LYS 1 14.653 2.764 -0.883
10 HD3 LYS 1 1HD LYS 1 15.209 2.425 -2.517
11 HE2 LYS 1 2HE LYS 1 12.392 3.219 -1.799
12 HE3 LYS 1 1HE LYS 1 13.632 4.350 -2.333
13 HZ1 LYS 1 1HZ LYS 1 12.233 3.690 -4.159
14 HZ2 LYS 1 2HZ LYS 1 12.554 2.066 -3.924
15 HZ3 LYS 1 3HZ LYS 1 13.790 3.118 -4.401
16 H TRP 2 HN TRP 2 10.455 -2.109 0.214
17 HA TRP 2 HA TRP 2 9.889 -2.700 -2.594
18 HB2 TRP 2 2HB TRP 2 10.333 -4.623 -1.083
19 HB3 TRP 2 1HB TRP 2 8.995 -4.104 -0.064
20 HD1 TRP 2 1HD TRP 2 6.704 -5.047 -0.648
21 HE1 TRP 2 1HE TRP 2 5.715 -6.444 -2.598
22 HE3 TRP 2 3HE TRP 2 10.681 -4.908 -3.805
23 HZ2 TRP 2 2HZ TRP 2 6.551 -7.335 -5.147
24 HZ3 TRP 2 3HZ TRP 2 10.518 -6.042 -5.974
25 HH2 TRP 2 2HH TRP 2 8.489 -7.230 -6.623
26 H CYS 3 HN CYS 3 7.897 -2.274 -3.439
27 HA CYS 3 HA CYS 3 6.087 -0.753 -1.731
28 HB2 CYS 3 2HB CYS 3 6.696 -0.383 -4.665
29 HB3 CYS 3 1HB CYS 3 5.416 0.455 -3.797
30 H PHE 4 HN PHE 4 4.092 -1.480 -1.594
31 HA PHE 4 HA PHE 4 3.213 -3.472 -3.523
32 HB2 PHE 4 2HB PHE 4 1.999 -4.490 -1.531
33 HB3 PHE 4 1HB PHE 4 3.738 -4.794 -1.638
34 HD1 PHE 4 1HD PHE 4 5.273 -3.593 -0.087
35 HD2 PHE 4 2HD PHE 4 1.048 -3.287 0.293
36 HE1 PHE 4 1HE PHE 4 5.546 -2.690 2.185
37 HE2 PHE 4 2HE PHE 4 1.318 -2.387 2.559
38 HZ PHE 4 HZ PHE 4 3.567 -2.083 3.508
39 H ARG 5 HN ARG 5 0.979 -3.517 -3.864
40 HA ARG 5 HA ARG 5 -0.241 -0.956 -3.434
41 HB2 ARG 5 2HB ARG 5 -0.524 -1.876 -5.647
42 HB3 ARG 5 1HB ARG 5 -1.161 -3.378 -5.000
43 HG2 ARG 5 2HG ARG 5 -3.158 -2.186 -4.210
44 HG3 ARG 5 1HG ARG 5 -2.507 -0.684 -4.855
45 HD2 ARG 5 2HD ARG 5 -3.035 -3.121 -6.548
46 HD3 ARG 5 1HD ARG 5 -4.222 -1.843 -6.302
47 HE ARG 5 HE ARG 5 -1.824 -0.700 -7.161
48 HH11 ARG 5 1HH1 ARG 5 -4.339 -2.836 -8.476
49 HH12 ARG 5 2HH1 ARG 5 -4.236 -2.199 -10.046
50 HH21 ARG 5 1HH2 ARG 5 -1.688 0.144 -9.412
51 HH22 ARG 5 2HH2 ARG 5 -2.738 -0.523 -10.571
52 H VAL 6 HN VAL 6 -1.745 -0.487 -2.007
53 HA VAL 6 HA VAL 6 -2.958 -2.673 -0.488
54 HB VAL 6 HB VAL 6 -2.261 0.129 0.474
55 HG11 VAL 6 1HG1 VAL 6 -3.524 -2.167 1.979
56 HG12 VAL 6 2HG1 VAL 6 -4.334 -0.681 1.487
57 HG13 VAL 6 3HG1 VAL 6 -3.034 -0.623 2.679
58 HG21 VAL 6 1HG2 VAL 6 -0.303 -1.299 0.322
59 HG22 VAL 6 2HG2 VAL 6 -1.121 -2.539 1.274
60 HG23 VAL 6 3HG2 VAL 6 -0.723 -0.985 2.005
61 H CYS 7 HN CYS 7 -5.060 -2.716 -0.681
62 HA CYS 7 HA CYS 7 -6.404 -0.300 -1.588
63 HB2 CYS 7 2HB CYS 7 -7.289 -3.196 -1.744
64 HB3 CYS 7 1HB CYS 7 -8.246 -1.819 -2.279
65 H TYR 8 HN TYR 8 -7.126 0.752 -0.044
66 HA TYR 8 HA TYR 8 -7.916 -0.601 2.425
67 HB2 TYR 8 2HB TYR 8 -5.957 1.042 2.354
68 HB3 TYR 8 1HB TYR 8 -7.156 2.283 2.050
69 HD1 TYR 8 1HD TYR 8 -6.059 -0.241 4.501
70 HD2 TYR 8 2HD TYR 8 -8.389 3.247 3.837
71 HE1 TYR 8 1HE TYR 8 -6.337 0.014 6.909
72 HE2 TYR 8 2HE TYR 8 -8.682 3.518 6.259
73 HH TYR 8 HH TYR 8 -6.803 1.839 8.480
74 H ARG 9 HN ARG 9 -10.005 -0.935 2.113
75 HA ARG 9 HA ARG 9 -12.208 -0.578 2.073
76 HB2 ARG 9 2HB ARG 9 -11.458 2.301 2.573
77 HB3 ARG 9 1HB ARG 9 -13.082 1.655 2.729
78 HG2 ARG 9 2HG ARG 9 -12.244 0.120 4.506
79 HG3 ARG 9 1HG ARG 9 -10.673 0.897 4.366
80 HD2 ARG 9 2HD ARG 9 -13.238 2.289 5.096
81 HD3 ARG 9 1HD ARG 9 -11.984 1.798 6.233
82 HE ARG 9 HE ARG 9 -10.944 3.427 4.156
83 HH11 ARG 9 1HH1 ARG 9 -12.812 3.642 7.129
84 HH12 ARG 9 2HH1 ARG 9 -12.268 5.199 7.549
85 HH21 ARG 9 1HH2 ARG 9 -10.179 5.563 4.691
86 HH22 ARG 9 2HH2 ARG 9 -10.725 6.321 6.112
87 H GLY 10 HN GLY 10 -10.708 -0.517 -0.357
88 HA2 GLY 10 2HA GLY 10 -11.650 -0.521 -2.527
89 HA3 GLY 10 1HA GLY 10 -12.690 0.813 -2.050
90 H ILE 11 HN ILE 11 -9.940 1.819 -0.811
91 HA ILE 11 HA ILE 11 -9.237 3.351 -3.202
92 HB ILE 11 HB ILE 11 -8.339 3.708 -0.324
93 HG12 ILE 11 2HG1 ILE 11 -10.758 4.029 -0.495
94 HG13 ILE 11 1HG1 ILE 11 -9.950 5.557 -0.185
95 HG21 ILE 11 1HG2 ILE 11 -8.114 5.577 -2.678
96 HG22 ILE 11 2HG2 ILE 11 -6.792 4.698 -1.916
97 HG23 ILE 11 3HG2 ILE 11 -7.646 5.957 -1.021
98 HD11 ILE 11 1HD1 ILE 11 -10.192 6.141 -2.554
99 HD12 ILE 11 2HD1 ILE 11 -11.750 5.826 -1.786
100 HD13 ILE 11 3HD1 ILE 11 -11.025 4.613 -2.839
101 H CYS 12 HN CYS 12 -7.618 2.478 -4.400
102 HA CYS 12 HA CYS 12 -5.666 0.786 -3.039
103 HB2 CYS 12 2HB CYS 12 -6.338 1.030 -5.968
104 HB3 CYS 12 1HB CYS 12 -5.138 -0.067 -5.289
105 H TYR 13 HN TYR 13 -3.715 1.439 -2.703
106 HA TYR 13 HA TYR 13 -2.469 3.424 -4.437
107 HB2 TYR 13 2HB TYR 13 -1.689 4.709 -2.441
108 HB3 TYR 13 1HB TYR 13 -3.431 4.756 -2.682
109 HD1 TYR 13 1HD TYR 13 -0.723 3.471 -0.475
110 HD2 TYR 13 2HD TYR 13 -4.941 3.770 -1.087
111 HE1 TYR 13 1HE TYR 13 -1.110 2.797 1.824
112 HE2 TYR 13 2HE TYR 13 -5.315 3.085 1.224
113 HH TYR 13 HH TYR 13 -2.882 3.078 3.501
114 H ARG 14 HN ARG 14 -0.106 3.578 -3.898
115 HA ARG 14 HA ARG 14 0.864 0.936 -3.170
116 HB2 ARG 14 2HB ARG 14 2.388 3.334 -4.184
117 HB3 ARG 14 1HB ARG 14 3.104 1.787 -3.792
118 HG2 ARG 14 2HG ARG 14 1.711 0.760 -5.564
119 HG3 ARG 14 1HG ARG 14 1.158 2.379 -6.002
120 HD2 ARG 14 2HD ARG 14 4.000 1.388 -6.019
121 HD3 ARG 14 1HD ARG 14 3.002 1.725 -7.434
122 HE ARG 14 HE ARG 14 2.959 4.084 -6.265
123 HH11 ARG 14 1HH1 ARG 14 5.736 1.956 -6.838
124 HH12 ARG 14 2HH1 ARG 14 6.866 3.233 -6.817
125 HH21 ARG 14 1HH2 ARG 14 4.514 5.803 -6.222
126 HH22 ARG 14 2HH2 ARG 14 6.169 5.438 -6.453
127 H LYS 15 HN LYS 15 1.898 0.503 -1.398
128 HA LYS 15 HA LYS 15 2.594 2.695 0.384
129 HB2 LYS 15 2HB LYS 15 0.544 1.404 1.077
130 HB3 LYS 15 1HB LYS 15 1.538 -0.038 1.127
131 HG2 LYS 15 2HG LYS 15 2.839 0.870 2.943
132 HG3 LYS 15 1HG LYS 15 1.964 2.402 2.840
133 HD2 LYS 15 2HD LYS 15 -0.124 1.254 3.377
134 HD3 LYS 15 1HD LYS 15 0.730 -0.277 3.463
135 HE2 LYS 15 2HE LYS 15 2.077 0.594 5.328
136 HE3 LYS 15 1HE LYS 15 1.210 2.122 5.227
137 HZ1 LYS 15 1HZ LYS 15 -0.018 -0.509 5.862
138 HZ2 LYS 15 2HZ LYS 15 -0.845 0.958 5.835
139 HZ3 LYS 15 3HZ LYS 15 0.334 0.676 6.993
140 H CYS 16 HN CYS 16 4.712 2.656 0.747
141 HA CYS 16 HA CYS 16 6.131 0.207 0.006
142 HB2 CYS 16 2HB CYS 16 7.233 3.023 0.234
143 HB3 CYS 16 1HB CYS 16 8.064 1.613 -0.411
144 H ARG 17 HN ARG 17 7.449 -0.775 1.417
145 HA ARG 17 HA ARG 17 8.440 -1.395 3.333
146 HB2 ARG 17 2HB ARG 17 8.281 1.542 4.038
147 HB3 ARG 17 1HB ARG 17 9.140 0.344 4.995
148 HG2 ARG 17 2HG ARG 17 10.745 -0.008 3.299
149 HG3 ARG 17 1HG ARG 17 9.760 0.833 2.099
150 HD2 ARG 17 2HD ARG 17 10.994 2.109 4.530
151 HD3 ARG 17 1HD ARG 17 11.650 2.194 2.890
152 HE ARG 17 HE ARG 17 9.009 3.009 2.799
153 HH11 ARG 17 1HH1 ARG 17 12.024 4.216 4.235
154 HH12 ARG 17 2HH1 ARG 17 11.585 5.841 4.061
155 HH21 ARG 17 1HH2 ARG 17 8.438 5.264 2.581
156 HH22 ARG 17 2HH2 ARG 17 9.513 6.446 3.125
157 HN1 NH2 18 1H ARG 17 6.652 1.061 5.048
158 HN2 NH2 18 2H ARG 17 5.557 -0.032 5.824