Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
555786 | 2lo9 RC | 18203 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 1HT VAL 1 11.017 0.162 2.414
2 H2 VAL 1 2HT VAL 1 9.563 0.536 3.201
3 H3 VAL 1 3HT VAL 1 10.497 1.770 2.505
4 HA VAL 1 HA VAL 1 9.739 1.394 0.430
5 HB VAL 1 HB VAL 1 9.164 -0.985 -0.266
6 HG11 VAL 1 2HG1 VAL 1 11.742 -1.683 0.515
7 HG12 VAL 1 3HG1 VAL 1 11.779 0.081 0.486
8 HG13 VAL 1 1HG1 VAL 1 11.305 -0.811 -0.957
9 HG21 VAL 1 1HG2 VAL 1 10.532 -1.950 2.211
10 HG22 VAL 1 2HG2 VAL 1 9.351 -2.774 1.190
11 HG23 VAL 1 3HG2 VAL 1 8.819 -1.536 2.330
12 H GLY 2 H GLY 2 7.516 0.794 -0.535
13 HA2 GLY 2 2HA GLY 2 5.241 -0.101 0.341
14 HA3 GLY 2 1HA GLY 2 5.451 1.103 1.587
15 H GLU 3 H GLU 3 6.782 2.847 -0.600
16 HA GLU 3 HA GLU 3 4.765 4.653 -1.167
17 HB2 GLU 3 2HB GLU 3 6.221 5.198 -3.199
18 HB3 GLU 3 1HB GLU 3 7.057 5.151 -1.650
19 HG2 GLU 3 2HG GLU 3 7.977 2.995 -2.097
20 HG3 GLU 3 1HG GLU 3 6.893 2.730 -3.457
21 H ARG 4 H ARG 4 5.513 1.717 -2.971
22 HA ARG 4 HA ARG 4 3.917 2.112 -5.265
23 HB2 ARG 4 2HB ARG 4 4.862 0.107 -5.666
24 HB3 ARG 4 1HB ARG 4 5.461 0.084 -4.013
25 HG2 ARG 4 2HG ARG 4 4.236 -1.865 -4.001
26 HG3 ARG 4 1HG ARG 4 2.971 -0.743 -3.505
27 HD2 ARG 4 2HD ARG 4 2.181 -0.564 -5.840
28 HD3 ARG 4 1HD ARG 4 3.481 -1.654 -6.370
29 HE ARG 4 HE ARG 4 2.295 -3.110 -4.375
30 HH11 ARG 4 1HH2 ARG 4 1.061 -1.441 -7.174
31 HH12 ARG 4 2HH2 ARG 4 -0.302 -2.494 -7.355
32 HH21 ARG 4 1HH1 ARG 4 0.529 -4.488 -4.616
33 HH22 ARG 4 2HH1 ARG 4 -0.608 -4.227 -5.900
34 H CYS 5 H CYS 5 2.912 1.452 -1.963
35 HA CYS 5 HA CYS 5 0.276 0.449 -2.709
36 HB2 CYS 5 2HB CYS 5 1.657 0.041 -0.558
37 HB3 CYS 5 1HB CYS 5 1.064 1.622 -0.043
38 H CYS 6 H CYS 6 1.159 3.473 -0.912
39 HA CYS 6 HA CYS 6 -1.321 4.780 -1.250
40 HB2 CYS 6 2HB CYS 6 1.433 6.068 -1.318
41 HB3 CYS 6 1HB CYS 6 -0.071 6.829 -0.829
42 H LYS 7 H LYS 7 1.444 4.594 -3.492
43 HA LYS 7 HA LYS 7 0.517 6.460 -5.464
44 HB2 LYS 7 2HB LYS 7 2.333 4.065 -5.354
45 HB3 LYS 7 1HB LYS 7 1.968 4.794 -6.916
46 HG2 LYS 7 2HG LYS 7 2.747 6.653 -4.720
47 HG3 LYS 7 1HG LYS 7 4.018 5.626 -5.382
48 HD2 LYS 7 2HD LYS 7 2.180 7.192 -7.195
49 HD3 LYS 7 1HD LYS 7 3.623 7.936 -6.506
50 HE2 LYS 7 2HE LYS 7 3.784 5.283 -7.961
51 HE3 LYS 7 1HE LYS 7 3.872 6.827 -8.838
52 HZ1 LYS 7 3HZ LYS 7 5.678 7.531 -7.419
53 HZ2 LYS 7 1HZ LYS 7 6.079 6.038 -8.114
54 HZ3 LYS 7 2HZ LYS 7 5.568 6.110 -6.498
55 H ASN 8 H ASN 8 -0.531 3.236 -4.675
56 HA ASN 8 HA ASN 8 -2.139 3.105 -7.201
57 HB2 ASN 8 2HB ASN 8 -0.437 1.250 -5.691
58 HB3 ASN 8 1HB ASN 8 -1.976 0.555 -6.172
59 HD21 ASN 8 1HD2 ASN 8 1.141 1.122 -7.268
60 HD22 ASN 8 2HD2 ASN 8 0.847 0.981 -8.929
61 H GLY 9 H GLY 9 -2.339 3.289 -3.764
62 HA2 GLY 9 2HA GLY 9 -4.176 3.179 -2.299
63 HA3 GLY 9 1HA GLY 9 -5.181 3.494 -3.711
64 H LYS 10 H LYS 10 -6.660 1.924 -4.035
65 HA LYS 10 HA LYS 10 -6.743 -0.607 -2.744
66 HB2 LYS 10 2HB LYS 10 -7.964 0.561 -5.246
67 HB3 LYS 10 1HB LYS 10 -8.312 -1.100 -4.763
68 HG2 LYS 10 2HG LYS 10 -9.028 -0.256 -2.515
69 HG3 LYS 10 1HG LYS 10 -8.792 1.391 -3.095
70 HD2 LYS 10 2HD LYS 10 -10.818 1.377 -4.086
71 HD3 LYS 10 1HD LYS 10 -10.396 -0.074 -4.995
72 HE2 LYS 10 2HE LYS 10 -11.205 -0.245 -2.079
73 HE3 LYS 10 1HE LYS 10 -12.412 -0.268 -3.382
74 HZ1 LYS 10 3HZ LYS 10 -10.064 -2.088 -3.133
75 HZ2 LYS 10 1HZ LYS 10 -11.164 -2.084 -4.427
76 HZ3 LYS 10 2HZ LYS 10 -11.683 -2.511 -2.875
77 H ARG 11 H ARG 11 -5.124 0.393 -5.708
78 HA ARG 11 HA ARG 11 -4.622 -2.263 -6.760
79 HB2 ARG 11 2HB ARG 11 -3.291 0.425 -7.147
80 HB3 ARG 11 1HB ARG 11 -2.980 -0.979 -8.157
81 HG2 ARG 11 2HG ARG 11 -5.760 -0.799 -8.124
82 HG3 ARG 11 1HG ARG 11 -5.242 0.884 -8.196
83 HD2 ARG 11 2HD ARG 11 -4.248 -1.307 -10.053
84 HD3 ARG 11 1HD ARG 11 -5.477 -0.101 -10.470
85 HE ARG 11 HE ARG 11 -2.974 1.037 -9.413
86 HH11 ARG 11 1HH2 ARG 11 -4.778 0.009 -12.207
87 HH12 ARG 11 2HH2 ARG 11 -3.876 0.986 -13.310
88 HH21 ARG 11 1HH1 ARG 11 -1.803 2.326 -10.845
89 HH22 ARG 11 2HH1 ARG 11 -2.185 2.303 -12.537
90 H GLY 12 H GLY 12 -3.186 -0.341 -4.307
91 HA2 GLY 12 2HA GLY 12 -0.663 -1.889 -4.305
92 HA3 GLY 12 1HA GLY 12 -1.008 -0.484 -3.304
93 H CYS 13 H CYS 13 -3.726 -1.878 -2.683
94 HA CYS 13 HA CYS 13 -3.097 -2.875 -0.128
95 HB2 CYS 13 2HB CYS 13 -5.364 -2.956 -2.034
96 HB3 CYS 13 1HB CYS 13 -5.400 -4.185 -0.769
97 H GLY 14 H GLY 14 -2.268 -4.771 0.573
98 HA2 GLY 14 2HA GLY 14 -2.684 -7.359 -0.338
99 HA3 GLY 14 1HA GLY 14 -1.304 -6.772 -1.276
100 H ARG 15 H ARG 15 -0.991 -8.880 0.590
101 HA ARG 15 HA ARG 15 -0.255 -8.263 3.208
102 HB2 ARG 15 2HB ARG 15 1.549 -10.080 2.818
103 HB3 ARG 15 1HB ARG 15 -0.136 -10.523 2.581
104 HG2 ARG 15 2HG ARG 15 0.123 -10.198 0.140
105 HG3 ARG 15 1HG ARG 15 1.804 -9.734 0.386
106 HD2 ARG 15 2HD ARG 15 1.559 -12.136 -0.293
107 HD3 ARG 15 1HD ARG 15 2.313 -11.976 1.303
108 HE ARG 15 HE ARG 15 -0.511 -12.783 0.782
109 HH11 ARG 15 1HH2 ARG 15 2.060 -12.099 3.028
110 HH12 ARG 15 2HH2 ARG 15 1.341 -12.995 4.311
111 HH21 ARG 15 1HH1 ARG 15 -1.445 -13.942 2.469
112 HH22 ARG 15 2HH1 ARG 15 -0.643 -14.045 4.000
113 H TRP 16 H TRP 16 1.721 -7.740 0.271
114 HA TRP 16 HA TRP 16 4.136 -6.833 1.484
115 HB2 TRP 16 2HB TRP 16 3.636 -7.250 -0.956
116 HB3 TRP 16 1HB TRP 16 2.758 -5.717 -0.979
117 HD1 TRP 16 HD TRP 16 6.247 -7.184 -0.628
118 HE1 TRP 16 1HE TRP 16 7.976 -5.345 -0.983
119 HE3 TRP 16 3HE TRP 16 3.173 -3.102 -0.774
120 HZ2 TRP 16 2HZ TRP 16 8.068 -2.488 -1.309
121 HZ3 TRP 16 3HZ TRP 16 4.104 -0.846 -1.117
122 HH2 TRP 16 HH TRP 16 6.549 -0.529 -1.377
123 H CYS 17 H CYS 17 1.434 -4.800 0.261
124 HA CYS 17 HA CYS 17 2.299 -2.390 1.521
125 HB2 CYS 17 2HB CYS 17 0.633 -2.491 -0.273
126 HB3 CYS 17 1HB CYS 17 -0.459 -3.400 0.758
127 H ARG 18 H ARG 18 0.069 -4.957 2.626
128 HA ARG 18 HA ARG 18 -0.809 -3.848 5.065
129 HB2 ARG 18 2HB ARG 18 -1.205 -6.135 3.804
130 HB3 ARG 18 1HB ARG 18 0.072 -6.716 4.868
131 HG2 ARG 18 2HG ARG 18 -1.393 -5.477 6.722
132 HG3 ARG 18 1HG ARG 18 -2.683 -5.768 5.557
133 HD2 ARG 18 2HD ARG 18 -0.846 -8.044 6.197
134 HD3 ARG 18 1HD ARG 18 -2.084 -7.598 7.381
135 HE ARG 18 HE ARG 18 -2.860 -7.965 4.520
136 HH11 ARG 18 1HH2 ARG 18 -3.035 -8.937 7.870
137 HH12 ARG 18 2HH2 ARG 18 -4.485 -9.847 7.653
138 HH21 ARG 18 1HH1 ARG 18 -4.752 -9.163 4.254
139 HH22 ARG 18 2HH1 ARG 18 -5.460 -9.977 5.610
140 H ASP 19 H ASP 19 2.250 -5.597 4.402
141 HA ASP 19 HA ASP 19 3.126 -5.118 7.195
142 HB2 ASP 19 2HB ASP 19 3.328 -7.230 5.505
143 HB3 ASP 19 1HB ASP 19 4.877 -6.441 5.204
144 H HIS 20 H HIS 20 3.824 -3.976 3.936
145 HA HIS 20 HA HIS 20 6.222 -2.477 4.924
146 HB2 HIS 20 2HB HIS 20 5.186 -3.082 2.135
147 HB3 HIS 20 1HB HIS 20 6.723 -2.315 2.505
148 HD1 HIS 20 1HD HIS 20 4.909 -5.612 3.133
149 HD2 HIS 20 2HD HIS 20 8.790 -4.129 2.878
150 HE1 HIS 20 1HE HIS 20 6.448 -7.623 3.203
151 H SER 21 H SER 21 2.900 -1.905 4.160
152 HA SER 21 HA SER 21 3.520 1.008 3.752
153 HB2 SER 21 2HB SER 21 1.632 -0.831 2.287
154 HB3 SER 21 1HB SER 21 1.683 0.897 2.039
155 HG SER 21 HG SER 21 3.922 -0.824 1.724
156 H ARG 22 H ARG 22 2.508 2.083 5.467
157 HA ARG 22 HA ARG 22 0.014 1.006 6.664
158 HB2 ARG 22 2HB ARG 22 1.717 3.498 7.097
159 HB3 ARG 22 1HB ARG 22 0.277 3.132 8.045
160 HG2 ARG 22 2HG ARG 22 2.648 1.259 7.791
161 HG3 ARG 22 1HG ARG 22 2.430 2.384 9.134
162 HD2 ARG 22 2HD ARG 22 0.529 0.136 8.357
163 HD3 ARG 22 1HD ARG 22 1.568 0.187 9.795
164 HE ARG 22 HE ARG 22 -0.895 1.740 9.387
165 HH11 ARG 22 1HH2 ARG 22 2.144 1.449 11.085
166 HH12 ARG 22 2HH2 ARG 22 1.626 2.405 12.425
167 HH21 ARG 22 1HH1 ARG 22 -1.565 2.990 11.138
168 HH22 ARG 22 2HH1 ARG 22 -0.489 3.269 12.467
169 H CYS 23 H CYS 23 -0.659 1.249 4.147
170 HA CYS 23 HA CYS 23 -2.058 3.894 3.862
171 HB2 CYS 23 2HB CYS 23 0.228 3.224 2.596
172 HB3 CYS 23 1HB CYS 23 -0.909 2.470 1.494
173 H CYS 24 H CYS 24 -2.545 0.602 4.131
174 HA CYS 24 HA CYS 24 -4.925 0.661 2.298
175 HB2 CYS 24 2HB CYS 24 -2.545 -0.994 2.340
176 HB3 CYS 24 1HB CYS 24 -3.994 -1.984 2.502
177 HN1 NH2 25 2H CYS 24 -6.824 -0.358 5.088
178 HN2 NH2 25 1H CYS 24 -6.695 0.637 3.724
Start of MODEL 2
1 H1 VAL 1 1HT VAL 1 11.344 1.104 2.364
2 H2 VAL 1 2HT VAL 1 10.022 0.541 3.266
3 H3 VAL 1 3HT VAL 1 9.967 2.065 2.517
4 HA VAL 1 HA VAL 1 9.912 1.081 0.341
5 HB VAL 1 HB VAL 1 10.459 -1.406 2.003
6 HG11 VAL 1 2HG1 VAL 1 8.740 -1.835 0.207
7 HG12 VAL 1 3HG1 VAL 1 10.250 -2.726 -0.020
8 HG13 VAL 1 1HG1 VAL 1 9.927 -1.274 -0.977
9 HG21 VAL 1 1HG2 VAL 1 12.577 -0.669 1.500
10 HG22 VAL 1 2HG2 VAL 1 12.006 0.367 0.196
11 HG23 VAL 1 3HG2 VAL 1 12.238 -1.355 -0.088
12 H GLY 2 H GLY 2 7.746 1.343 -0.166
13 HA2 GLY 2 2HA GLY 2 5.643 -0.363 0.432
14 HA3 GLY 2 1HA GLY 2 5.665 0.755 1.775
15 H GLU 3 H GLU 3 6.694 2.890 -0.214
16 HA GLU 3 HA GLU 3 4.485 4.430 -0.616
17 HB2 GLU 3 2HB GLU 3 5.748 5.325 -2.637
18 HB3 GLU 3 1HB GLU 3 6.660 5.240 -1.134
19 HG2 GLU 3 2HG GLU 3 7.829 3.296 -1.825
20 HG3 GLU 3 1HG GLU 3 6.716 2.996 -3.157
21 H ARG 4 H ARG 4 5.382 1.730 -2.712
22 HA ARG 4 HA ARG 4 3.715 2.150 -4.917
23 HB2 ARG 4 2HB ARG 4 4.690 0.173 -5.394
24 HB3 ARG 4 1HB ARG 4 5.249 0.058 -3.733
25 HG2 ARG 4 2HG ARG 4 3.997 -1.906 -4.059
26 HG3 ARG 4 1HG ARG 4 2.891 -0.845 -3.189
27 HD2 ARG 4 2HD ARG 4 1.406 -1.054 -4.897
28 HD3 ARG 4 1HD ARG 4 2.572 -0.277 -5.976
29 HE ARG 4 HE ARG 4 3.357 -2.440 -6.665
30 HH11 ARG 4 1HH2 ARG 4 1.003 -2.635 -4.107
31 HH12 ARG 4 2HH2 ARG 4 0.569 -4.269 -4.465
32 HH21 ARG 4 1HH1 ARG 4 2.808 -4.584 -7.095
33 HH22 ARG 4 2HH1 ARG 4 1.610 -5.378 -6.131
34 H CYS 5 H CYS 5 2.785 1.164 -1.666
35 HA CYS 5 HA CYS 5 0.190 0.133 -2.236
36 HB2 CYS 5 2HB CYS 5 1.437 -0.004 -0.070
37 HB3 CYS 5 1HB CYS 5 1.111 1.709 0.184
38 H CYS 6 H CYS 6 0.927 3.441 -0.996
39 HA CYS 6 HA CYS 6 -1.702 4.446 -1.580
40 HB2 CYS 6 2HB CYS 6 0.776 6.176 -1.529
41 HB3 CYS 6 1HB CYS 6 -0.838 6.527 -0.923
42 H LYS 7 H LYS 7 1.271 4.268 -3.518
43 HA LYS 7 HA LYS 7 0.621 6.026 -5.635
44 HB2 LYS 7 2HB LYS 7 2.307 3.627 -5.198
45 HB3 LYS 7 1HB LYS 7 1.932 3.983 -6.879
46 HG2 LYS 7 2HG LYS 7 3.249 5.821 -6.913
47 HG3 LYS 7 1HG LYS 7 2.680 6.366 -5.336
48 HD2 LYS 7 2HD LYS 7 4.972 5.869 -5.011
49 HD3 LYS 7 1HD LYS 7 4.110 4.487 -4.348
50 HE2 LYS 7 2HE LYS 7 5.351 3.162 -5.726
51 HE3 LYS 7 1HE LYS 7 4.489 3.891 -7.095
52 HZ1 LYS 7 3HZ LYS 7 6.923 4.210 -7.189
53 HZ2 LYS 7 1HZ LYS 7 6.844 5.126 -5.753
54 HZ3 LYS 7 2HZ LYS 7 6.055 5.665 -7.172
55 H ASN 8 H ASN 8 -0.640 2.855 -4.886
56 HA ASN 8 HA ASN 8 -2.216 2.875 -7.437
57 HB2 ASN 8 2HB ASN 8 -0.651 0.888 -5.937
58 HB3 ASN 8 1HB ASN 8 -2.209 0.304 -6.491
59 HD21 ASN 8 1HD2 ASN 8 0.971 0.748 -7.447
60 HD22 ASN 8 2HD2 ASN 8 0.730 0.653 -9.116
61 H GLY 9 H GLY 9 -2.574 3.264 -4.077
62 HA2 GLY 9 2HA GLY 9 -4.457 3.208 -2.677
63 HA3 GLY 9 1HA GLY 9 -5.417 3.337 -4.150
64 H LYS 10 H LYS 10 -6.806 1.652 -4.388
65 HA LYS 10 HA LYS 10 -6.738 -0.752 -2.849
66 HB2 LYS 10 2HB LYS 10 -8.030 0.037 -5.470
67 HB3 LYS 10 1HB LYS 10 -8.326 -1.530 -4.716
68 HG2 LYS 10 2HG LYS 10 -8.961 -0.251 -2.599
69 HG3 LYS 10 1HG LYS 10 -8.948 1.210 -3.591
70 HD2 LYS 10 2HD LYS 10 -10.748 0.476 -4.918
71 HD3 LYS 10 1HD LYS 10 -10.546 -1.206 -4.428
72 HE2 LYS 10 2HE LYS 10 -11.209 0.875 -2.349
73 HE3 LYS 10 1HE LYS 10 -12.499 0.181 -3.355
74 HZ1 LYS 10 3HZ LYS 10 -10.548 -1.684 -2.236
75 HZ2 LYS 10 1HZ LYS 10 -12.210 -1.874 -2.482
76 HZ3 LYS 10 2HZ LYS 10 -11.659 -0.992 -1.151
77 H ARG 11 H ARG 11 -5.225 0.110 -5.922
78 HA ARG 11 HA ARG 11 -4.430 -2.622 -6.596
79 HB2 ARG 11 2HB ARG 11 -3.527 0.122 -7.522
80 HB3 ARG 11 1HB ARG 11 -2.986 -1.384 -8.253
81 HG2 ARG 11 2HG ARG 11 -5.781 -1.592 -8.110
82 HG3 ARG 11 1HG ARG 11 -5.456 0.049 -8.668
83 HD2 ARG 11 2HD ARG 11 -3.649 -1.656 -10.072
84 HD3 ARG 11 1HD ARG 11 -5.255 -2.404 -10.167
85 HE ARG 11 HE ARG 11 -6.103 -0.401 -11.187
86 HH11 ARG 11 1HH2 ARG 11 -2.711 -0.176 -10.381
87 HH12 ARG 11 2HH2 ARG 11 -2.431 1.154 -11.447
88 HH21 ARG 11 1HH1 ARG 11 -5.703 1.333 -12.580
89 HH22 ARG 11 2HH1 ARG 11 -4.111 2.006 -12.682
90 H GLY 12 H GLY 12 -3.267 -0.148 -4.512
91 HA2 GLY 12 2HA GLY 12 -0.544 -1.260 -4.393
92 HA3 GLY 12 1HA GLY 12 -1.128 0.146 -3.499
93 H CYS 13 H CYS 13 -3.586 -1.714 -2.861
94 HA CYS 13 HA CYS 13 -2.812 -2.453 -0.214
95 HB2 CYS 13 2HB CYS 13 -5.127 -2.175 -1.637
96 HB3 CYS 13 1HB CYS 13 -5.009 -3.932 -1.570
97 H GLY 14 H GLY 14 -3.111 -4.897 0.480
98 HA2 GLY 14 2HA GLY 14 -2.849 -7.244 -0.449
99 HA3 GLY 14 1HA GLY 14 -1.532 -6.588 -1.418
100 H ARG 15 H ARG 15 -1.092 -8.712 0.347
101 HA ARG 15 HA ARG 15 -0.275 -8.224 2.965
102 HB2 ARG 15 2HB ARG 15 1.397 -10.040 2.537
103 HB3 ARG 15 1HB ARG 15 -0.212 -10.421 1.915
104 HG2 ARG 15 2HG ARG 15 0.655 -9.378 -0.316
105 HG3 ARG 15 1HG ARG 15 2.262 -9.622 0.378
106 HD2 ARG 15 2HD ARG 15 0.165 -11.802 0.076
107 HD3 ARG 15 1HD ARG 15 1.551 -11.564 -1.011
108 HE ARG 15 HE ARG 15 2.725 -11.605 1.489
109 HH11 ARG 15 1HH2 ARG 15 0.524 -13.711 -0.203
110 HH12 ARG 15 2HH2 ARG 15 1.104 -15.141 0.570
111 HH21 ARG 15 1HH1 ARG 15 3.450 -13.476 2.521
112 HH22 ARG 15 2HH1 ARG 15 2.753 -15.008 2.122
113 H TRP 16 H TRP 16 1.653 -7.581 0.012
114 HA TRP 16 HA TRP 16 4.051 -6.706 1.219
115 HB2 TRP 16 2HB TRP 16 3.487 -7.042 -1.231
116 HB3 TRP 16 1HB TRP 16 2.697 -5.464 -1.183
117 HD1 TRP 16 HD TRP 16 6.109 -7.122 -0.876
118 HE1 TRP 16 1HE TRP 16 7.928 -5.366 -1.214
119 HE3 TRP 16 3HE TRP 16 3.227 -2.920 -1.024
120 HZ2 TRP 16 2HZ TRP 16 8.152 -2.514 -1.529
121 HZ3 TRP 16 3HZ TRP 16 4.272 -0.699 -1.345
122 HH2 TRP 16 HH TRP 16 6.721 -0.486 -1.597
123 H CYS 17 H CYS 17 1.393 -4.558 0.096
124 HA CYS 17 HA CYS 17 2.345 -2.229 1.452
125 HB2 CYS 17 2HB CYS 17 0.712 -1.935 -0.223
126 HB3 CYS 17 1HB CYS 17 -0.309 -3.205 0.420
127 H ARG 18 H ARG 18 -0.044 -4.689 2.409
128 HA ARG 18 HA ARG 18 -0.913 -3.704 4.880
129 HB2 ARG 18 2HB ARG 18 -1.405 -5.896 3.573
130 HB3 ARG 18 1HB ARG 18 -0.062 -6.572 4.481
131 HG2 ARG 18 2HG ARG 18 -1.295 -5.608 6.570
132 HG3 ARG 18 1HG ARG 18 -2.705 -5.558 5.512
133 HD2 ARG 18 2HD ARG 18 -1.100 -8.084 5.550
134 HD3 ARG 18 1HD ARG 18 -2.152 -7.745 6.940
135 HE ARG 18 HE ARG 18 -3.802 -7.162 4.833
136 HH11 ARG 18 1HH2 ARG 18 -1.748 -9.886 5.554
137 HH12 ARG 18 2HH2 ARG 18 -2.751 -11.020 4.725
138 HH21 ARG 18 1HH1 ARG 18 -5.088 -8.650 3.718
139 HH22 ARG 18 2HH1 ARG 18 -4.627 -10.319 3.667
140 H ASP 19 H ASP 19 2.093 -5.539 4.232
141 HA ASP 19 HA ASP 19 2.958 -5.119 7.036
142 HB2 ASP 19 2HB ASP 19 3.139 -7.181 5.210
143 HB3 ASP 19 1HB ASP 19 4.761 -6.489 5.177
144 H HIS 20 H HIS 20 3.721 -3.980 3.801
145 HA HIS 20 HA HIS 20 6.175 -2.600 4.806
146 HB2 HIS 20 2HB HIS 20 5.109 -3.137 2.016
147 HB3 HIS 20 1HB HIS 20 6.658 -2.385 2.372
148 HD1 HIS 20 1HD HIS 20 4.815 -5.669 2.838
149 HD2 HIS 20 2HD HIS 20 8.709 -4.197 2.894
150 HE1 HIS 20 1HE HIS 20 6.337 -7.686 2.951
151 H SER 21 H SER 21 2.961 -1.779 4.580
152 HA SER 21 HA SER 21 3.685 1.058 4.004
153 HB2 SER 21 2HB SER 21 2.969 -0.332 1.940
154 HB3 SER 21 1HB SER 21 1.368 -0.335 2.666
155 HG SER 21 HG SER 21 2.932 1.919 1.913
156 H ARG 22 H ARG 22 2.616 2.419 5.361
157 HA ARG 22 HA ARG 22 0.348 1.390 6.999
158 HB2 ARG 22 2HB ARG 22 1.855 4.038 7.054
159 HB3 ARG 22 1HB ARG 22 0.760 3.440 8.298
160 HG2 ARG 22 2HG ARG 22 3.359 2.104 7.471
161 HG3 ARG 22 1HG ARG 22 3.121 3.064 8.928
162 HD2 ARG 22 2HD ARG 22 1.034 1.261 9.119
163 HD3 ARG 22 1HD ARG 22 2.327 0.278 8.401
164 HE ARG 22 HE ARG 22 3.341 1.942 10.548
165 HH11 ARG 22 1HH2 ARG 22 1.558 -0.936 9.810
166 HH12 ARG 22 2HH2 ARG 22 1.990 -1.747 11.277
167 HH21 ARG 22 1HH1 ARG 22 3.954 0.885 12.472
168 HH22 ARG 22 2HH1 ARG 22 3.367 -0.711 12.799
169 H CYS 23 H CYS 23 -0.374 1.508 4.398
170 HA CYS 23 HA CYS 23 -1.888 4.085 4.071
171 HB2 CYS 23 2HB CYS 23 0.143 3.160 2.559
172 HB3 CYS 23 1HB CYS 23 -1.180 2.304 1.782
173 H CYS 24 H CYS 24 -1.898 0.570 3.303
174 HA CYS 24 HA CYS 24 -4.885 0.656 3.114
175 HB2 CYS 24 2HB CYS 24 -2.997 -0.330 1.380
176 HB3 CYS 24 1HB CYS 24 -3.367 -1.770 2.322
177 HN1 NH2 25 2H CYS 24 -4.052 -0.800 6.499
178 HN2 NH2 25 1H CYS 24 -3.803 0.709 5.768
Start of MODEL 3
1 H1 VAL 1 1HT VAL 1 9.914 -0.863 2.454
2 H2 VAL 1 2HT VAL 1 10.251 0.743 2.870
3 H3 VAL 1 3HT VAL 1 11.371 -0.150 1.963
4 HA VAL 1 HA VAL 1 9.864 1.548 0.763
5 HB VAL 1 HB VAL 1 11.421 -0.017 -0.298
6 HG11 VAL 1 2HG1 VAL 1 9.222 -2.069 0.083
7 HG12 VAL 1 3HG1 VAL 1 10.811 -2.067 0.847
8 HG13 VAL 1 1HG1 VAL 1 10.671 -2.316 -0.890
9 HG21 VAL 1 1HG2 VAL 1 8.906 -0.587 -1.804
10 HG22 VAL 1 2HG2 VAL 1 10.463 -0.007 -2.387
11 HG23 VAL 1 3HG2 VAL 1 9.367 1.098 -1.566
12 H GLY 2 H GLY 2 7.701 2.081 0.614
13 HA2 GLY 2 2HA GLY 2 5.673 -0.020 0.380
14 HA3 GLY 2 1HA GLY 2 5.598 0.863 1.890
15 H GLU 3 H GLU 3 6.638 2.623 -0.943
16 HA GLU 3 HA GLU 3 4.399 4.444 -0.686
17 HB2 GLU 3 2HB GLU 3 5.434 5.417 -2.793
18 HB3 GLU 3 1HB GLU 3 6.516 5.300 -1.410
19 HG2 GLU 3 2HG GLU 3 7.644 3.430 -2.307
20 HG3 GLU 3 1HG GLU 3 6.357 3.096 -3.462
21 H ARG 4 H ARG 4 5.181 1.778 -2.856
22 HA ARG 4 HA ARG 4 3.336 2.090 -4.922
23 HB2 ARG 4 2HB ARG 4 4.332 0.119 -5.377
24 HB3 ARG 4 1HB ARG 4 4.957 0.053 -3.738
25 HG2 ARG 4 2HG ARG 4 3.730 -1.912 -3.846
26 HG3 ARG 4 1HG ARG 4 2.549 -0.809 -3.147
27 HD2 ARG 4 2HD ARG 4 1.232 -1.597 -4.859
28 HD3 ARG 4 1HD ARG 4 2.105 -0.374 -5.801
29 HE ARG 4 HE ARG 4 3.810 -2.222 -6.275
30 HH11 ARG 4 1HH2 ARG 4 0.448 -2.935 -5.596
31 HH12 ARG 4 2HH2 ARG 4 0.511 -4.473 -6.364
32 HH21 ARG 4 1HH1 ARG 4 3.837 -4.234 -7.293
33 HH22 ARG 4 2HH1 ARG 4 2.405 -5.203 -7.331
34 H CYS 5 H CYS 5 2.700 1.088 -1.579
35 HA CYS 5 HA CYS 5 0.036 0.131 -1.935
36 HB2 CYS 5 2HB CYS 5 1.426 -0.148 0.096
37 HB3 CYS 5 1HB CYS 5 1.299 1.584 0.412
38 H CYS 6 H CYS 6 1.108 3.396 -0.847
39 HA CYS 6 HA CYS 6 -1.541 4.548 -1.155
40 HB2 CYS 6 2HB CYS 6 0.917 5.204 0.018
41 HB3 CYS 6 1HB CYS 6 0.735 6.396 -1.268
42 H LYS 7 H LYS 7 1.290 4.156 -3.233
43 HA LYS 7 HA LYS 7 0.707 6.060 -5.264
44 HB2 LYS 7 2HB LYS 7 2.070 3.361 -5.238
45 HB3 LYS 7 1HB LYS 7 2.030 4.378 -6.675
46 HG2 LYS 7 2HG LYS 7 2.845 5.890 -4.322
47 HG3 LYS 7 1HG LYS 7 3.907 4.509 -4.609
48 HD2 LYS 7 2HD LYS 7 3.115 6.514 -6.742
49 HD3 LYS 7 1HD LYS 7 4.621 6.594 -5.822
50 HE2 LYS 7 2HE LYS 7 4.393 3.922 -6.798
51 HE3 LYS 7 1HE LYS 7 4.055 5.008 -8.160
52 HZ1 LYS 7 3HZ LYS 7 6.408 4.741 -7.982
53 HZ2 LYS 7 1HZ LYS 7 6.397 5.100 -6.319
54 HZ3 LYS 7 2HZ LYS 7 6.037 6.310 -7.463
55 H ASN 8 H ASN 8 -0.422 2.731 -4.824
56 HA ASN 8 HA ASN 8 -2.145 3.027 -7.261
57 HB2 ASN 8 2HB ASN 8 -0.519 0.923 -6.013
58 HB3 ASN 8 1HB ASN 8 -2.098 0.366 -6.547
59 HD21 ASN 8 1HD2 ASN 8 1.017 0.708 -7.646
60 HD22 ASN 8 2HD2 ASN 8 0.687 0.861 -9.302
61 H GLY 9 H GLY 9 -2.442 3.090 -3.881
62 HA2 GLY 9 2HA GLY 9 -4.294 2.878 -2.453
63 HA3 GLY 9 1HA GLY 9 -5.272 3.210 -3.878
64 H LYS 10 H LYS 10 -6.624 1.592 -4.479
65 HA LYS 10 HA LYS 10 -6.829 -0.895 -3.120
66 HB2 LYS 10 2HB LYS 10 -7.751 -0.011 -5.878
67 HB3 LYS 10 1HB LYS 10 -8.327 -1.463 -5.055
68 HG2 LYS 10 2HG LYS 10 -8.940 0.078 -3.096
69 HG3 LYS 10 1HG LYS 10 -8.690 1.417 -4.215
70 HD2 LYS 10 2HD LYS 10 -10.287 -0.110 -5.750
71 HD3 LYS 10 1HD LYS 10 -10.850 -0.630 -4.160
72 HE2 LYS 10 2HE LYS 10 -12.227 1.255 -4.646
73 HE3 LYS 10 1HE LYS 10 -10.957 1.926 -3.611
74 HZ1 LYS 10 3HZ LYS 10 -11.483 2.435 -6.374
75 HZ2 LYS 10 1HZ LYS 10 -9.873 1.966 -6.129
76 HZ3 LYS 10 2HZ LYS 10 -10.509 3.299 -5.290
77 H ARG 11 H ARG 11 -4.954 0.030 -5.968
78 HA ARG 11 HA ARG 11 -4.184 -2.752 -6.580
79 HB2 ARG 11 2HB ARG 11 -3.395 -0.011 -7.606
80 HB3 ARG 11 1HB ARG 11 -2.651 -1.491 -8.205
81 HG2 ARG 11 2HG ARG 11 -5.613 -1.493 -8.117
82 HG3 ARG 11 1HG ARG 11 -4.880 -0.403 -9.290
83 HD2 ARG 11 2HD ARG 11 -3.747 -3.162 -9.146
84 HD3 ARG 11 1HD ARG 11 -5.350 -2.996 -9.872
85 HE ARG 11 HE ARG 11 -4.367 -1.269 -11.399
86 HH11 ARG 11 1HH2 ARG 11 -2.177 -3.431 -9.712
87 HH12 ARG 11 2HH2 ARG 11 -0.929 -3.256 -10.885
88 HH21 ARG 11 1HH1 ARG 11 -2.704 -1.070 -12.907
89 HH22 ARG 11 2HH1 ARG 11 -1.217 -1.923 -12.679
90 H GLY 12 H GLY 12 -3.224 -0.303 -4.442
91 HA2 GLY 12 2HA GLY 12 -0.443 -1.245 -4.154
92 HA3 GLY 12 1HA GLY 12 -1.178 0.106 -3.284
93 H CYS 13 H CYS 13 -3.600 -1.548 -2.661
94 HA CYS 13 HA CYS 13 -2.899 -2.496 -0.074
95 HB2 CYS 13 2HB CYS 13 -5.208 -2.544 -1.933
96 HB3 CYS 13 1HB CYS 13 -5.214 -3.817 -0.714
97 H GLY 14 H GLY 14 -2.623 -4.669 0.700
98 HA2 GLY 14 2HA GLY 14 -2.888 -7.123 -0.313
99 HA3 GLY 14 1HA GLY 14 -1.576 -6.545 -1.344
100 H ARG 15 H ARG 15 -1.086 -8.710 0.297
101 HA ARG 15 HA ARG 15 -0.166 -8.398 2.905
102 HB2 ARG 15 2HB ARG 15 1.507 -10.168 2.241
103 HB3 ARG 15 1HB ARG 15 -0.148 -10.515 1.743
104 HG2 ARG 15 2HG ARG 15 0.772 -9.128 -0.434
105 HG3 ARG 15 1HG ARG 15 2.239 -9.945 0.095
106 HD2 ARG 15 2HD ARG 15 -0.421 -11.333 -0.411
107 HD3 ARG 15 1HD ARG 15 0.965 -11.338 -1.520
108 HE ARG 15 HE ARG 15 1.582 -12.177 1.236
109 HH11 ARG 15 1HH2 ARG 15 0.655 -13.119 -1.987
110 HH12 ARG 15 2HH2 ARG 15 1.307 -14.710 -1.835
111 HH21 ARG 15 1HH1 ARG 15 2.408 -14.268 1.418
112 HH22 ARG 15 2HH1 ARG 15 2.298 -15.359 0.082
113 H TRP 16 H TRP 16 1.589 -7.484 -0.074
114 HA TRP 16 HA TRP 16 4.070 -6.722 1.115
115 HB2 TRP 16 2HB TRP 16 3.456 -6.947 -1.335
116 HB3 TRP 16 1HB TRP 16 2.633 -5.390 -1.200
117 HD1 TRP 16 HD TRP 16 6.082 -6.999 -1.036
118 HE1 TRP 16 1HE TRP 16 7.870 -5.202 -1.333
119 HE3 TRP 16 3HE TRP 16 3.152 -2.821 -0.919
120 HZ2 TRP 16 2HZ TRP 16 8.060 -2.338 -1.518
121 HZ3 TRP 16 3HZ TRP 16 4.167 -0.577 -1.155
122 HH2 TRP 16 HH TRP 16 6.612 -0.335 -1.455
123 H CYS 17 H CYS 17 1.385 -4.529 0.140
124 HA CYS 17 HA CYS 17 2.356 -2.243 1.542
125 HB2 CYS 17 2HB CYS 17 0.647 -1.902 -0.045
126 HB3 CYS 17 1HB CYS 17 -0.348 -3.188 0.610
127 H ARG 18 H ARG 18 0.075 -4.774 2.547
128 HA ARG 18 HA ARG 18 -0.668 -3.819 5.086
129 HB2 ARG 18 2HB ARG 18 -0.217 -6.497 3.820
130 HB3 ARG 18 1HB ARG 18 -0.543 -6.442 5.555
131 HG2 ARG 18 2HG ARG 18 -2.654 -5.411 5.250
132 HG3 ARG 18 1HG ARG 18 -2.272 -4.930 3.595
133 HD2 ARG 18 2HD ARG 18 -3.700 -6.810 3.306
134 HD3 ARG 18 1HD ARG 18 -2.080 -7.501 3.137
135 HE ARG 18 HE ARG 18 -2.277 -8.461 5.319
136 HH11 ARG 18 1HH2 ARG 18 -4.965 -6.405 4.508
137 HH12 ARG 18 2HH2 ARG 18 -5.968 -7.002 5.778
138 HH21 ARG 18 1HH1 ARG 18 -3.593 -9.229 7.001
139 HH22 ARG 18 2HH1 ARG 18 -5.193 -8.594 7.197
140 H ASP 19 H ASP 19 2.308 -5.640 4.247
141 HA ASP 19 HA ASP 19 3.321 -5.295 7.028
142 HB2 ASP 19 2HB ASP 19 3.373 -7.386 5.390
143 HB3 ASP 19 1HB ASP 19 4.842 -6.604 4.812
144 H HIS 20 H HIS 20 3.899 -4.020 3.791
145 HA HIS 20 HA HIS 20 6.389 -2.639 4.736
146 HB2 HIS 20 2HB HIS 20 5.237 -3.118 1.965
147 HB3 HIS 20 1HB HIS 20 6.802 -2.397 2.300
148 HD1 HIS 20 1HD HIS 20 4.915 -5.649 2.756
149 HD2 HIS 20 2HD HIS 20 8.844 -4.275 2.692
150 HE1 HIS 20 1HE HIS 20 6.394 -7.703 2.761
151 H SER 21 H SER 21 3.086 -1.924 4.327
152 HA SER 21 HA SER 21 3.722 0.971 3.863
153 HB2 SER 21 2HB SER 21 1.526 -0.734 2.668
154 HB3 SER 21 1HB SER 21 1.719 0.980 2.393
155 HG SER 21 HG SER 21 4.037 -0.301 1.896
156 H ARG 22 H ARG 22 1.900 2.407 4.482
157 HA ARG 22 HA ARG 22 0.136 1.288 6.631
158 HB2 ARG 22 2HB ARG 22 1.585 3.967 6.600
159 HB3 ARG 22 1HB ARG 22 0.613 3.320 7.920
160 HG2 ARG 22 2HG ARG 22 2.296 1.291 7.775
161 HG3 ARG 22 1HG ARG 22 3.338 2.473 6.981
162 HD2 ARG 22 2HD ARG 22 2.066 2.796 9.726
163 HD3 ARG 22 1HD ARG 22 3.787 2.495 9.401
164 HE ARG 22 HE ARG 22 3.406 4.699 7.880
165 HH11 ARG 22 1HH2 ARG 22 2.345 3.957 11.109
166 HH12 ARG 22 2HH2 ARG 22 2.314 5.611 11.616
167 HH21 ARG 22 1HH1 ARG 22 3.338 6.866 8.536
168 HH22 ARG 22 2HH1 ARG 22 2.882 7.264 10.155
169 H CYS 23 H CYS 23 -0.169 2.093 3.654
170 HA CYS 23 HA CYS 23 -2.342 4.133 3.996
171 HB2 CYS 23 2HB CYS 23 -0.329 4.905 2.773
172 HB3 CYS 23 1HB CYS 23 -0.471 3.537 1.674
173 H CYS 24 H CYS 24 -3.218 1.645 4.477
174 HA CYS 24 HA CYS 24 -5.045 1.061 2.294
175 HB2 CYS 24 2HB CYS 24 -2.421 -0.122 2.300
176 HB3 CYS 24 1HB CYS 24 -3.613 -1.395 2.537
177 HN1 NH2 25 2H CYS 24 -6.250 0.135 5.675
178 HN2 NH2 25 1H CYS 24 -5.870 1.548 4.822
Start of MODEL 4
1 H1 VAL 1 1HT VAL 1 9.928 -0.729 2.553
2 H2 VAL 1 2HT VAL 1 10.243 0.880 2.993
3 H3 VAL 1 3HT VAL 1 11.379 0.001 2.090
4 HA VAL 1 HA VAL 1 9.849 1.705 0.883
5 HB VAL 1 HB VAL 1 11.471 0.266 -0.211
6 HG11 VAL 1 2HG1 VAL 1 11.359 -1.880 0.618
7 HG12 VAL 1 3HG1 VAL 1 10.455 -2.127 -0.872
8 HG13 VAL 1 1HG1 VAL 1 9.600 -1.899 0.651
9 HG21 VAL 1 1HG2 VAL 1 10.444 0.006 -2.303
10 HG22 VAL 1 2HG2 VAL 1 9.451 1.232 -1.521
11 HG23 VAL 1 3HG2 VAL 1 8.890 -0.439 -1.597
12 H GLY 2 H GLY 2 7.692 2.174 0.740
13 HA2 GLY 2 2HA GLY 2 5.731 0.002 0.438
14 HA3 GLY 2 1HA GLY 2 5.556 0.960 1.892
15 H GLU 3 H GLU 3 6.761 2.894 -0.654
16 HA GLU 3 HA GLU 3 4.514 4.611 -0.760
17 HB2 GLU 3 2HB GLU 3 5.666 5.502 -2.787
18 HB3 GLU 3 1HB GLU 3 6.781 5.237 -1.449
19 HG2 GLU 3 2HG GLU 3 7.413 3.047 -2.430
20 HG3 GLU 3 1HG GLU 3 6.336 3.357 -3.788
21 H ARG 4 H ARG 4 5.307 1.789 -2.712
22 HA ARG 4 HA ARG 4 3.624 2.004 -4.908
23 HB2 ARG 4 2HB ARG 4 4.172 -0.372 -3.121
24 HB3 ARG 4 1HB ARG 4 3.485 -0.491 -4.740
25 HG2 ARG 4 2HG ARG 4 6.172 0.741 -4.059
26 HG3 ARG 4 1HG ARG 4 5.927 -0.861 -4.743
27 HD2 ARG 4 2HD ARG 4 4.641 1.403 -6.201
28 HD3 ARG 4 1HD ARG 4 6.405 1.261 -6.300
29 HE ARG 4 HE ARG 4 4.685 -1.132 -6.790
30 HH11 ARG 4 1HH2 ARG 4 7.111 1.166 -7.846
31 HH12 ARG 4 2HH2 ARG 4 7.570 0.226 -9.217
32 HH21 ARG 4 1HH1 ARG 4 5.306 -2.349 -8.584
33 HH22 ARG 4 2HH1 ARG 4 6.547 -1.764 -9.639
34 H CYS 5 H CYS 5 2.697 1.104 -1.588
35 HA CYS 5 HA CYS 5 0.003 0.368 -2.173
36 HB2 CYS 5 2HB CYS 5 1.387 0.027 -0.056
37 HB3 CYS 5 1HB CYS 5 0.978 1.692 0.354
38 H CYS 6 H CYS 6 1.268 3.537 -0.971
39 HA CYS 6 HA CYS 6 -1.242 4.934 -1.217
40 HB2 CYS 6 2HB CYS 6 1.669 5.783 -1.255
41 HB3 CYS 6 1HB CYS 6 0.349 6.938 -1.323
42 H LYS 7 H LYS 7 1.457 4.377 -3.471
43 HA LYS 7 HA LYS 7 0.570 6.117 -5.574
44 HB2 LYS 7 2HB LYS 7 2.594 4.093 -5.047
45 HB3 LYS 7 1HB LYS 7 1.975 3.958 -6.693
46 HG2 LYS 7 2HG LYS 7 2.896 5.926 -7.339
47 HG3 LYS 7 1HG LYS 7 2.508 6.723 -5.815
48 HD2 LYS 7 2HD LYS 7 4.797 6.620 -5.585
49 HD3 LYS 7 1HD LYS 7 4.395 5.045 -4.909
50 HE2 LYS 7 2HE LYS 7 5.271 3.904 -6.699
51 HE3 LYS 7 1HE LYS 7 4.719 5.120 -7.866
52 HZ1 LYS 7 3HZ LYS 7 6.422 6.645 -6.810
53 HZ2 LYS 7 1HZ LYS 7 7.033 5.380 -7.757
54 HZ3 LYS 7 2HZ LYS 7 7.077 5.259 -6.059
55 H ASN 8 H ASN 8 -0.299 2.817 -4.723
56 HA ASN 8 HA ASN 8 -1.868 2.560 -7.248
57 HB2 ASN 8 2HB ASN 8 -0.447 0.775 -5.362
58 HB3 ASN 8 1HB ASN 8 -1.900 0.118 -6.094
59 HD21 ASN 8 1HD2 ASN 8 1.389 0.482 -6.588
60 HD22 ASN 8 2HD2 ASN 8 1.407 0.275 -8.268
61 H GLY 9 H GLY 9 -2.334 3.030 -3.846
62 HA2 GLY 9 2HA GLY 9 -4.278 3.080 -2.547
63 HA3 GLY 9 1HA GLY 9 -5.128 3.413 -4.048
64 H LYS 10 H LYS 10 -6.551 1.854 -4.723
65 HA LYS 10 HA LYS 10 -7.136 -0.490 -3.217
66 HB2 LYS 10 2HB LYS 10 -7.606 0.265 -6.119
67 HB3 LYS 10 1HB LYS 10 -8.365 -1.126 -5.348
68 HG2 LYS 10 2HG LYS 10 -9.894 0.173 -4.301
69 HG3 LYS 10 1HG LYS 10 -8.656 1.297 -3.743
70 HD2 LYS 10 2HD LYS 10 -10.072 2.566 -5.200
71 HD3 LYS 10 1HD LYS 10 -8.601 2.229 -6.113
72 HE2 LYS 10 2HE LYS 10 -10.508 1.768 -7.569
73 HE3 LYS 10 1HE LYS 10 -9.779 0.215 -7.119
74 HZ1 LYS 10 3HZ LYS 10 -12.324 0.561 -6.813
75 HZ2 LYS 10 1HZ LYS 10 -11.876 1.392 -5.411
76 HZ3 LYS 10 2HZ LYS 10 -11.441 -0.236 -5.603
77 H ARG 11 H ARG 11 -4.928 0.054 -5.918
78 HA ARG 11 HA ARG 11 -4.289 -2.784 -6.262
79 HB2 ARG 11 2HB ARG 11 -3.030 -0.201 -7.249
80 HB3 ARG 11 1HB ARG 11 -2.518 -1.803 -7.767
81 HG2 ARG 11 2HG ARG 11 -4.557 -2.241 -8.856
82 HG3 ARG 11 1HG ARG 11 -5.399 -0.962 -7.983
83 HD2 ARG 11 2HD ARG 11 -5.040 -0.024 -10.141
84 HD3 ARG 11 1HD ARG 11 -3.725 0.651 -9.165
85 HE ARG 11 HE ARG 11 -2.180 -0.800 -10.269
86 HH11 ARG 11 1HH2 ARG 11 -5.495 -1.544 -11.061
87 HH12 ARG 11 2HH2 ARG 11 -5.077 -2.558 -12.396
88 HH21 ARG 11 1HH1 ARG 11 -1.651 -2.137 -12.028
89 HH22 ARG 11 2HH1 ARG 11 -2.911 -2.909 -12.931
90 H GLY 12 H GLY 12 -3.305 -0.232 -4.197
91 HA2 GLY 12 2HA GLY 12 -0.651 -1.204 -3.563
92 HA3 GLY 12 1HA GLY 12 -1.561 0.005 -2.659
93 H CYS 13 H CYS 13 -3.867 -1.423 -2.037
94 HA CYS 13 HA CYS 13 -3.311 -2.786 0.321
95 HB2 CYS 13 2HB CYS 13 -5.510 -2.922 -1.728
96 HB3 CYS 13 1HB CYS 13 -5.550 -4.006 -0.340
97 H GLY 14 H GLY 14 -2.530 -4.804 0.842
98 HA2 GLY 14 2HA GLY 14 -2.786 -7.254 -0.311
99 HA3 GLY 14 1HA GLY 14 -1.537 -6.520 -1.325
100 H ARG 15 H ARG 15 -0.957 -8.762 0.265
101 HA ARG 15 HA ARG 15 0.018 -8.488 2.841
102 HB2 ARG 15 2HB ARG 15 0.066 -10.556 1.576
103 HB3 ARG 15 1HB ARG 15 1.194 -9.873 0.406
104 HG2 ARG 15 2HG ARG 15 2.755 -10.917 1.708
105 HG3 ARG 15 1HG ARG 15 2.589 -9.468 2.699
106 HD2 ARG 15 2HD ARG 15 2.378 -11.457 4.130
107 HD3 ARG 15 1HD ARG 15 0.796 -10.657 4.026
108 HE ARG 15 HE ARG 15 0.863 -12.450 1.868
109 HH11 ARG 15 1HH2 ARG 15 1.060 -12.585 5.344
110 HH12 ARG 15 2HH2 ARG 15 0.399 -14.177 5.443
111 HH21 ARG 15 1HH1 ARG 15 -0.006 -14.527 2.007
112 HH22 ARG 15 2HH1 ARG 15 -0.192 -15.279 3.555
113 H TRP 16 H TRP 16 1.871 -7.606 -0.137
114 HA TRP 16 HA TRP 16 4.245 -6.698 1.119
115 HB2 TRP 16 2HB TRP 16 3.721 -6.974 -1.353
116 HB3 TRP 16 1HB TRP 16 2.871 -5.428 -1.263
117 HD1 TRP 16 HD TRP 16 6.340 -6.964 -0.974
118 HE1 TRP 16 1HE TRP 16 8.107 -5.135 -1.183
119 HE3 TRP 16 3HE TRP 16 3.320 -2.833 -0.957
120 HZ2 TRP 16 2HZ TRP 16 8.237 -2.258 -1.337
121 HZ3 TRP 16 3HZ TRP 16 4.304 -0.580 -1.136
122 HH2 TRP 16 HH TRP 16 6.745 -0.281 -1.334
123 H CYS 17 H CYS 17 1.559 -4.572 0.003
124 HA CYS 17 HA CYS 17 2.462 -2.247 1.382
125 HB2 CYS 17 2HB CYS 17 0.824 -1.911 -0.261
126 HB3 CYS 17 1HB CYS 17 -0.146 -3.260 0.297
127 H ARG 18 H ARG 18 0.072 -4.724 2.336
128 HA ARG 18 HA ARG 18 -0.788 -3.707 4.798
129 HB2 ARG 18 2HB ARG 18 -0.367 -6.387 3.574
130 HB3 ARG 18 1HB ARG 18 -0.627 -6.368 5.317
131 HG2 ARG 18 2HG ARG 18 -2.730 -5.303 5.114
132 HG3 ARG 18 1HG ARG 18 -2.414 -4.812 3.452
133 HD2 ARG 18 2HD ARG 18 -3.844 -6.643 3.163
134 HD3 ARG 18 1HD ARG 18 -2.255 -7.417 3.019
135 HE ARG 18 HE ARG 18 -2.526 -7.680 5.632
136 HH11 ARG 18 1HH2 ARG 18 -5.019 -7.941 3.217
137 HH12 ARG 18 2HH2 ARG 18 -6.002 -8.984 4.176
138 HH21 ARG 18 1HH1 ARG 18 -3.787 -9.101 6.838
139 HH22 ARG 18 2HH1 ARG 18 -5.305 -9.650 6.219
140 H ASP 19 H ASP 19 2.246 -5.505 4.180
141 HA ASP 19 HA ASP 19 3.058 -5.146 7.021
142 HB2 ASP 19 2HB ASP 19 3.284 -7.235 5.382
143 HB3 ASP 19 1HB ASP 19 4.772 -6.403 4.915
144 H HIS 20 H HIS 20 4.124 -4.230 3.746
145 HA HIS 20 HA HIS 20 6.427 -2.691 4.782
146 HB2 HIS 20 2HB HIS 20 5.299 -3.163 2.002
147 HB3 HIS 20 1HB HIS 20 6.848 -2.401 2.341
148 HD1 HIS 20 1HD HIS 20 5.051 -5.715 2.782
149 HD2 HIS 20 2HD HIS 20 8.931 -4.210 2.819
150 HE1 HIS 20 1HE HIS 20 6.593 -7.720 2.860
151 H SER 21 H SER 21 3.129 -1.998 4.169
152 HA SER 21 HA SER 21 3.751 0.925 3.981
153 HB2 SER 21 2HB SER 21 3.152 -0.357 1.797
154 HB3 SER 21 1HB SER 21 1.532 -0.457 2.475
155 HG SER 21 HG SER 21 3.046 1.860 1.833
156 H ARG 22 H ARG 22 1.931 2.280 4.610
157 HA ARG 22 HA ARG 22 -0.135 0.932 6.322
158 HB2 ARG 22 2HB ARG 22 1.361 3.530 6.843
159 HB3 ARG 22 1HB ARG 22 0.145 2.814 7.899
160 HG2 ARG 22 2HG ARG 22 2.460 1.085 7.144
161 HG3 ARG 22 1HG ARG 22 2.783 2.397 8.277
162 HD2 ARG 22 2HD ARG 22 1.255 1.540 9.885
163 HD3 ARG 22 1HD ARG 22 0.455 0.501 8.688
164 HE ARG 22 HE ARG 22 3.143 0.012 9.887
165 HH11 ARG 22 1HH2 ARG 22 0.614 -0.933 7.650
166 HH12 ARG 22 2HH2 ARG 22 1.211 -2.547 7.472
167 HH21 ARG 22 1HH1 ARG 22 3.888 -2.100 9.640
168 HH22 ARG 22 2HH1 ARG 22 3.061 -3.201 8.594
169 H CYS 23 H CYS 23 -0.401 1.554 3.603
170 HA CYS 23 HA CYS 23 -2.094 4.041 3.574
171 HB2 CYS 23 2HB CYS 23 0.150 3.487 2.176
172 HB3 CYS 23 1HB CYS 23 -1.025 2.734 1.105
173 H CYS 24 H CYS 24 -2.746 1.027 4.186
174 HA CYS 24 HA CYS 24 -5.040 0.840 2.272
175 HB2 CYS 24 2HB CYS 24 -3.305 -0.685 1.498
176 HB3 CYS 24 1HB CYS 24 -3.061 -1.297 3.128
177 HN1 NH2 25 2H CYS 24 -7.080 -0.224 4.986
178 HN2 NH2 25 1H CYS 24 -6.999 0.126 3.329
Start of MODEL 5
1 H1 VAL 1 1HT VAL 1 11.412 1.797 1.323
2 H2 VAL 1 2HT VAL 1 10.314 2.015 2.594
3 H3 VAL 1 3HT VAL 1 10.092 2.833 1.127
4 HA VAL 1 HA VAL 1 9.771 0.684 -0.010
5 HB VAL 1 HB VAL 1 9.703 -0.366 2.838
6 HG11 VAL 1 2HG1 VAL 1 8.501 -1.921 1.670
7 HG12 VAL 1 3HG1 VAL 1 10.112 -2.509 1.253
8 HG13 VAL 1 1HG1 VAL 1 9.224 -1.482 0.121
9 HG21 VAL 1 1HG2 VAL 1 12.001 0.076 2.543
10 HG22 VAL 1 2HG2 VAL 1 11.940 -0.249 0.811
11 HG23 VAL 1 3HG2 VAL 1 11.854 -1.584 1.959
12 H GLY 2 H GLY 2 7.556 -0.268 -0.018
13 HA2 GLY 2 2HA GLY 2 5.265 -0.346 0.709
14 HA3 GLY 2 1HA GLY 2 5.585 1.003 1.780
15 H GLU 3 H GLU 3 6.967 2.464 -0.492
16 HA GLU 3 HA GLU 3 5.178 4.314 -1.332
17 HB2 GLU 3 2HB GLU 3 6.589 4.322 -3.495
18 HB3 GLU 3 1HB GLU 3 7.433 4.521 -1.957
19 HG2 GLU 3 2HG GLU 3 7.213 1.731 -2.394
20 HG3 GLU 3 1HG GLU 3 7.734 2.443 -3.916
21 H ARG 4 H ARG 4 5.589 1.256 -3.149
22 HA ARG 4 HA ARG 4 3.721 1.781 -5.194
23 HB2 ARG 4 2HB ARG 4 4.301 -0.312 -5.820
24 HB3 ARG 4 1HB ARG 4 5.451 -0.205 -4.497
25 HG2 ARG 4 2HG ARG 4 4.469 -2.059 -3.690
26 HG3 ARG 4 1HG ARG 4 3.120 -1.030 -3.233
27 HD2 ARG 4 2HD ARG 4 2.406 -1.416 -5.781
28 HD3 ARG 4 1HD ARG 4 3.380 -2.885 -5.577
29 HE ARG 4 HE ARG 4 1.722 -2.668 -3.285
30 HH11 ARG 4 1HH2 ARG 4 1.477 -3.187 -6.719
31 HH12 ARG 4 2HH2 ARG 4 -0.017 -4.047 -6.606
32 HH21 ARG 4 1HH1 ARG 4 -0.215 -3.796 -3.141
33 HH22 ARG 4 2HH1 ARG 4 -0.983 -4.384 -4.573
34 H CYS 5 H CYS 5 3.055 1.148 -1.839
35 HA CYS 5 HA CYS 5 0.384 0.048 -2.242
36 HB2 CYS 5 2HB CYS 5 1.629 -0.376 -0.194
37 HB3 CYS 5 1HB CYS 5 1.770 1.351 0.127
38 H CYS 6 H CYS 6 1.305 3.196 -0.749
39 HA CYS 6 HA CYS 6 -1.244 4.424 -1.069
40 HB2 CYS 6 2HB CYS 6 1.359 5.072 -0.140
41 HB3 CYS 6 1HB CYS 6 0.912 6.331 -1.288
42 H LYS 7 H LYS 7 1.544 4.332 -3.310
43 HA LYS 7 HA LYS 7 0.626 6.197 -5.241
44 HB2 LYS 7 2HB LYS 7 2.626 4.147 -4.968
45 HB3 LYS 7 1HB LYS 7 1.863 3.965 -6.540
46 HG2 LYS 7 2HG LYS 7 2.940 6.585 -5.472
47 HG3 LYS 7 1HG LYS 7 3.826 5.521 -6.567
48 HD2 LYS 7 2HD LYS 7 1.066 6.188 -7.424
49 HD3 LYS 7 1HD LYS 7 2.187 7.544 -7.401
50 HE2 LYS 7 2HE LYS 7 3.608 5.377 -8.573
51 HE3 LYS 7 1HE LYS 7 2.010 5.408 -9.341
52 HZ1 LYS 7 3HZ LYS 7 4.010 7.579 -9.147
53 HZ2 LYS 7 1HZ LYS 7 2.370 7.932 -9.414
54 HZ3 LYS 7 2HZ LYS 7 3.226 6.985 -10.525
55 H ASN 8 H ASN 8 -0.323 2.856 -4.682
56 HA ASN 8 HA ASN 8 -2.063 2.901 -7.108
57 HB2 ASN 8 2HB ASN 8 -0.699 0.868 -5.418
58 HB3 ASN 8 1HB ASN 8 -2.197 0.389 -6.190
59 HD21 ASN 8 1HD2 ASN 8 1.114 0.645 -6.711
60 HD22 ASN 8 2HD2 ASN 8 1.095 0.555 -8.396
61 H GLY 9 H GLY 9 -2.253 3.037 -3.641
62 HA2 GLY 9 2HA GLY 9 -4.087 3.050 -2.185
63 HA3 GLY 9 1HA GLY 9 -5.029 3.590 -3.574
64 H LYS 10 H LYS 10 -6.546 2.183 -4.335
65 HA LYS 10 HA LYS 10 -7.174 -0.280 -3.087
66 HB2 LYS 10 2HB LYS 10 -7.746 0.857 -5.835
67 HB3 LYS 10 1HB LYS 10 -8.507 -0.618 -5.239
68 HG2 LYS 10 2HG LYS 10 -8.821 1.208 -3.145
69 HG3 LYS 10 1HG LYS 10 -9.120 2.158 -4.600
70 HD2 LYS 10 2HD LYS 10 -10.528 -0.044 -5.249
71 HD3 LYS 10 1HD LYS 10 -10.653 -0.142 -3.492
72 HE2 LYS 10 2HE LYS 10 -12.550 1.169 -4.332
73 HE3 LYS 10 1HE LYS 10 -11.447 2.262 -3.475
74 HZ1 LYS 10 3HZ LYS 10 -10.612 3.114 -5.429
75 HZ2 LYS 10 1HZ LYS 10 -12.227 2.865 -5.866
76 HZ3 LYS 10 2HZ LYS 10 -11.041 1.752 -6.350
77 H ARG 11 H ARG 11 -4.996 0.422 -5.792
78 HA ARG 11 HA ARG 11 -4.569 -2.441 -6.369
79 HB2 ARG 11 2HB ARG 11 -3.360 0.147 -7.401
80 HB3 ARG 11 1HB ARG 11 -2.853 -1.440 -7.961
81 HG2 ARG 11 2HG ARG 11 -5.364 -1.874 -8.425
82 HG3 ARG 11 1HG ARG 11 -5.547 -0.124 -8.286
83 HD2 ARG 11 2HD ARG 11 -5.157 -0.482 -10.604
84 HD3 ARG 11 1HD ARG 11 -3.568 -0.003 -9.977
85 HE ARG 11 HE ARG 11 -3.874 -2.857 -9.727
86 HH11 ARG 11 1HH2 ARG 11 -3.425 -0.341 -12.084
87 HH12 ARG 11 2HH2 ARG 11 -2.575 -1.349 -13.200
88 HH21 ARG 11 1HH1 ARG 11 -2.792 -4.206 -11.207
89 HH22 ARG 11 2HH1 ARG 11 -2.221 -3.549 -12.708
90 H GLY 12 H GLY 12 -3.315 -0.086 -4.237
91 HA2 GLY 12 2HA GLY 12 -0.639 -1.247 -3.983
92 HA3 GLY 12 1HA GLY 12 -1.326 0.023 -2.969
93 H CYS 13 H CYS 13 -3.785 -1.607 -2.452
94 HA CYS 13 HA CYS 13 -3.124 -2.788 0.014
95 HB2 CYS 13 2HB CYS 13 -5.356 -2.753 -1.898
96 HB3 CYS 13 1HB CYS 13 -5.329 -4.195 -0.884
97 H GLY 14 H GLY 14 -2.614 -4.891 0.655
98 HA2 GLY 14 2HA GLY 14 -2.696 -7.325 -0.455
99 HA3 GLY 14 1HA GLY 14 -1.397 -6.610 -1.417
100 H ARG 15 H ARG 15 -0.871 -8.804 0.242
101 HA ARG 15 HA ARG 15 -0.037 -8.430 2.870
102 HB2 ARG 15 2HB ARG 15 1.586 -10.212 2.388
103 HB3 ARG 15 1HB ARG 15 0.067 -10.534 1.557
104 HG2 ARG 15 2HG ARG 15 1.254 -9.193 -0.409
105 HG3 ARG 15 1HG ARG 15 2.719 -9.708 0.422
106 HD2 ARG 15 2HD ARG 15 2.471 -11.613 -0.830
107 HD3 ARG 15 1HD ARG 15 1.256 -12.041 0.392
108 HE ARG 15 HE ARG 15 0.192 -10.295 -1.699
109 HH11 ARG 15 1HH2 ARG 15 0.925 -13.557 -0.776
110 HH12 ARG 15 2HH2 ARG 15 -0.281 -14.257 -1.795
111 HH21 ARG 15 1HH1 ARG 15 -1.377 -11.205 -3.050
112 HH22 ARG 15 2HH1 ARG 15 -1.584 -12.923 -3.090
113 H TRP 16 H TRP 16 1.761 -7.498 -0.060
114 HA TRP 16 HA TRP 16 4.185 -6.608 1.102
115 HB2 TRP 16 2HB TRP 16 3.506 -6.870 -1.334
116 HB3 TRP 16 1HB TRP 16 2.665 -5.326 -1.180
117 HD1 TRP 16 HD TRP 16 6.147 -6.875 -1.104
118 HE1 TRP 16 1HE TRP 16 7.869 -5.034 -1.494
119 HE3 TRP 16 3HE TRP 16 3.102 -2.760 -0.930
120 HZ2 TRP 16 2HZ TRP 16 7.968 -2.192 -1.740
121 HZ3 TRP 16 3HZ TRP 16 4.060 -0.506 -1.264
122 HH2 TRP 16 HH TRP 16 6.485 -0.222 -1.666
123 H CYS 17 H CYS 17 1.397 -4.508 0.173
124 HA CYS 17 HA CYS 17 2.344 -2.214 1.598
125 HB2 CYS 17 2HB CYS 17 0.604 -2.029 -0.086
126 HB3 CYS 17 1HB CYS 17 -0.433 -3.143 0.793
127 H ARG 18 H ARG 18 0.080 -4.815 2.522
128 HA ARG 18 HA ARG 18 -0.747 -4.032 5.058
129 HB2 ARG 18 2HB ARG 18 -1.047 -6.197 3.610
130 HB3 ARG 18 1HB ARG 18 0.319 -6.794 4.531
131 HG2 ARG 18 2HG ARG 18 -1.194 -5.844 6.560
132 HG3 ARG 18 1HG ARG 18 -2.468 -6.271 5.412
133 HD2 ARG 18 2HD ARG 18 -1.889 -8.208 6.874
134 HD3 ARG 18 1HD ARG 18 -1.479 -8.535 5.174
135 HE ARG 18 HE ARG 18 0.678 -7.246 6.668
136 HH11 ARG 18 1HH2 ARG 18 -0.780 -10.254 5.698
137 HH12 ARG 18 2HH2 ARG 18 0.660 -11.173 5.962
138 HH21 ARG 18 1HH1 ARG 18 2.546 -8.454 7.006
139 HH22 ARG 18 2HH1 ARG 18 2.531 -10.160 6.725
140 H ASP 19 H ASP 19 2.348 -5.611 4.230
141 HA ASP 19 HA ASP 19 3.301 -5.276 7.019
142 HB2 ASP 19 2HB ASP 19 3.518 -7.251 5.138
143 HB3 ASP 19 1HB ASP 19 5.056 -6.410 4.925
144 H HIS 20 H HIS 20 3.849 -3.897 3.814
145 HA HIS 20 HA HIS 20 6.277 -2.447 4.795
146 HB2 HIS 20 2HB HIS 20 5.087 -2.889 2.038
147 HB3 HIS 20 1HB HIS 20 6.609 -2.064 2.352
148 HD1 HIS 20 1HD HIS 20 4.998 -5.481 2.839
149 HD2 HIS 20 2HD HIS 20 8.784 -3.780 2.565
150 HE1 HIS 20 1HE HIS 20 6.648 -7.403 2.788
151 H SER 21 H SER 21 2.936 -1.756 4.452
152 HA SER 21 HA SER 21 3.566 1.155 4.395
153 HB2 SER 21 2HB SER 21 2.455 -0.489 2.239
154 HB3 SER 21 1HB SER 21 1.470 0.921 2.601
155 HG SER 21 HG SER 21 3.511 2.122 2.492
156 H ARG 22 H ARG 22 1.692 2.502 4.937
157 HA ARG 22 HA ARG 22 -0.435 1.051 6.490
158 HB2 ARG 22 2HB ARG 22 0.761 3.818 6.899
159 HB3 ARG 22 1HB ARG 22 -0.430 3.047 7.942
160 HG2 ARG 22 2HG ARG 22 2.375 2.004 7.417
161 HG3 ARG 22 1HG ARG 22 1.855 2.853 8.873
162 HD2 ARG 22 2HD ARG 22 0.950 0.965 9.750
163 HD3 ARG 22 1HD ARG 22 0.084 0.613 8.242
164 HE ARG 22 HE ARG 22 3.009 0.136 8.252
165 HH11 ARG 22 1HH2 ARG 22 -0.212 -1.163 8.512
166 HH12 ARG 22 2HH2 ARG 22 0.255 -2.742 7.993
167 HH21 ARG 22 1HH1 ARG 22 3.610 -1.929 7.583
168 HH22 ARG 22 2HH1 ARG 22 2.411 -3.177 7.462
169 H CYS 23 H CYS 23 -0.394 1.865 3.593
170 HA CYS 23 HA CYS 23 -2.507 3.986 3.538
171 HB2 CYS 23 2HB CYS 23 -0.239 3.960 2.221
172 HB3 CYS 23 1HB CYS 23 -1.042 2.788 1.185
173 H CYS 24 H CYS 24 -3.160 1.295 4.407
174 HA CYS 24 HA CYS 24 -5.333 0.653 2.558
175 HB2 CYS 24 2HB CYS 24 -2.707 -0.571 2.331
176 HB3 CYS 24 1HB CYS 24 -3.933 -1.797 2.663
177 HN1 NH2 25 2H CYS 24 -6.125 -0.091 6.081
178 HN2 NH2 25 1H CYS 24 -5.943 1.253 5.056
Start of MODEL 6
1 H1 VAL 1 1HT VAL 1 10.092 -0.222 3.142
2 H2 VAL 1 2HT VAL 1 9.227 1.197 3.473
3 H3 VAL 1 3HT VAL 1 10.799 1.289 2.852
4 HA VAL 1 HA VAL 1 9.595 1.696 0.958
5 HB VAL 1 HB VAL 1 9.714 -0.401 -0.336
6 HG11 VAL 1 2HG1 VAL 1 11.807 0.781 1.073
7 HG12 VAL 1 3HG1 VAL 1 11.962 -0.342 -0.280
8 HG13 VAL 1 1HG1 VAL 1 12.019 -0.949 1.369
9 HG21 VAL 1 1HG2 VAL 1 9.179 -2.380 0.620
10 HG22 VAL 1 2HG2 VAL 1 9.023 -1.582 2.181
11 HG23 VAL 1 3HG2 VAL 1 10.580 -2.247 1.690
12 H GLY 2 H GLY 2 7.521 1.808 -0.016
13 HA2 GLY 2 2HA GLY 2 5.373 0.027 0.388
14 HA3 GLY 2 1HA GLY 2 5.255 1.220 1.660
15 H GLU 3 H GLU 3 6.394 3.346 -0.205
16 HA GLU 3 HA GLU 3 4.183 4.727 -0.993
17 HB2 GLU 3 2HB GLU 3 5.625 5.790 -2.681
18 HB3 GLU 3 1HB GLU 3 6.515 5.487 -1.193
19 HG2 GLU 3 2HG GLU 3 7.574 3.545 -2.141
20 HG3 GLU 3 1HG GLU 3 6.545 3.616 -3.571
21 H ARG 4 H ARG 4 5.572 2.055 -2.865
22 HA ARG 4 HA ARG 4 4.100 2.278 -5.253
23 HB2 ARG 4 2HB ARG 4 5.445 0.478 -5.534
24 HB3 ARG 4 1HB ARG 4 5.685 0.346 -3.801
25 HG2 ARG 4 2HG ARG 4 4.717 -1.705 -4.246
26 HG3 ARG 4 1HG ARG 4 3.272 -0.761 -3.882
27 HD2 ARG 4 2HD ARG 4 2.653 -1.707 -5.930
28 HD3 ARG 4 1HD ARG 4 3.412 -0.201 -6.484
29 HE ARG 4 HE ARG 4 5.420 -2.236 -6.143
30 HH11 ARG 4 1HH2 ARG 4 2.804 -1.267 -8.221
31 HH12 ARG 4 2HH2 ARG 4 3.498 -1.974 -9.631
32 HH21 ARG 4 1HH1 ARG 4 6.319 -3.169 -7.999
33 HH22 ARG 4 2HH1 ARG 4 5.484 -3.055 -9.509
34 H CYS 5 H CYS 5 3.083 1.235 -2.055
35 HA CYS 5 HA CYS 5 0.574 0.016 -2.848
36 HB2 CYS 5 2HB CYS 5 1.552 -0.592 -0.763
37 HB3 CYS 5 1HB CYS 5 1.795 1.089 -0.295
38 H CYS 6 H CYS 6 1.266 3.141 -1.173
39 HA CYS 6 HA CYS 6 -1.375 4.198 -1.459
40 HB2 CYS 6 2HB CYS 6 1.202 5.804 -1.463
41 HB3 CYS 6 1HB CYS 6 -0.372 6.287 -0.837
42 H LYS 7 H LYS 7 1.490 4.354 -3.584
43 HA LYS 7 HA LYS 7 0.529 6.157 -5.559
44 HB2 LYS 7 2HB LYS 7 2.523 4.010 -5.278
45 HB3 LYS 7 1HB LYS 7 1.980 4.267 -6.936
46 HG2 LYS 7 2HG LYS 7 2.919 6.350 -7.070
47 HG3 LYS 7 1HG LYS 7 2.572 6.723 -5.379
48 HD2 LYS 7 2HD LYS 7 4.910 6.513 -5.381
49 HD3 LYS 7 1HD LYS 7 4.380 4.916 -4.857
50 HE2 LYS 7 2HE LYS 7 5.152 3.909 -6.759
51 HE3 LYS 7 1HE LYS 7 4.582 5.233 -7.793
52 HZ1 LYS 7 3HZ LYS 7 7.032 5.141 -7.648
53 HZ2 LYS 7 1HZ LYS 7 6.944 5.399 -5.968
54 HZ3 LYS 7 2HZ LYS 7 6.409 6.605 -7.054
55 H ASN 8 H ASN 8 -0.317 2.829 -4.902
56 HA ASN 8 HA ASN 8 -1.826 2.585 -7.458
57 HB2 ASN 8 2HB ASN 8 -0.523 0.826 -5.476
58 HB3 ASN 8 1HB ASN 8 -2.021 0.202 -6.132
59 HD21 ASN 8 1HD2 ASN 8 1.267 0.810 -6.799
60 HD22 ASN 8 2HD2 ASN 8 1.250 0.313 -8.415
61 H GLY 9 H GLY 9 -2.348 3.163 -4.083
62 HA2 GLY 9 2HA GLY 9 -4.314 3.407 -2.827
63 HA3 GLY 9 1HA GLY 9 -5.143 3.632 -4.370
64 H LYS 10 H LYS 10 -6.661 2.103 -4.794
65 HA LYS 10 HA LYS 10 -7.082 -0.227 -3.211
66 HB2 LYS 10 2HB LYS 10 -8.628 -0.858 -5.068
67 HB3 LYS 10 1HB LYS 10 -8.816 0.824 -4.580
68 HG2 LYS 10 2HG LYS 10 -6.812 0.847 -6.572
69 HG3 LYS 10 1HG LYS 10 -8.056 -0.248 -7.175
70 HD2 LYS 10 2HD LYS 10 -9.347 2.029 -6.001
71 HD3 LYS 10 1HD LYS 10 -8.105 2.603 -7.109
72 HE2 LYS 10 2HE LYS 10 -10.101 2.313 -8.424
73 HE3 LYS 10 1HE LYS 10 -9.052 0.936 -8.822
74 HZ1 LYS 10 3HZ LYS 10 -10.280 -0.484 -7.488
75 HZ2 LYS 10 1HZ LYS 10 -11.491 0.496 -8.141
76 HZ3 LYS 10 2HZ LYS 10 -10.945 0.772 -6.560
77 H ARG 11 H ARG 11 -4.943 0.308 -5.937
78 HA ARG 11 HA ARG 11 -4.528 -2.544 -6.508
79 HB2 ARG 11 2HB ARG 11 -3.181 0.041 -7.330
80 HB3 ARG 11 1HB ARG 11 -2.663 -1.530 -7.924
81 HG2 ARG 11 2HG ARG 11 -4.831 -1.928 -8.926
82 HG3 ARG 11 1HG ARG 11 -5.488 -0.465 -8.195
83 HD2 ARG 11 2HD ARG 11 -4.694 0.814 -9.890
84 HD3 ARG 11 1HD ARG 11 -3.066 0.129 -9.716
85 HE ARG 11 HE ARG 11 -4.919 -1.763 -10.934
86 HH11 ARG 11 1HH2 ARG 11 -2.863 0.992 -11.492
87 HH12 ARG 11 2HH2 ARG 11 -2.613 0.628 -13.162
88 HH21 ARG 11 1HH1 ARG 11 -4.583 -2.233 -13.135
89 HH22 ARG 11 2HH1 ARG 11 -3.584 -1.195 -14.093
90 H GLY 12 H GLY 12 -3.436 -0.413 -4.101
91 HA2 GLY 12 2HA GLY 12 -0.824 -1.784 -3.802
92 HA3 GLY 12 1HA GLY 12 -1.316 -0.322 -2.956
93 H CYS 13 H CYS 13 -3.994 -1.661 -2.303
94 HA CYS 13 HA CYS 13 -3.280 -2.613 0.295
95 HB2 CYS 13 2HB CYS 13 -5.764 -2.969 -1.399
96 HB3 CYS 13 1HB CYS 13 -5.689 -3.287 0.328
97 H GLY 14 H GLY 14 -1.872 -4.367 0.330
98 HA2 GLY 14 2HA GLY 14 -2.971 -6.990 -0.275
99 HA3 GLY 14 1HA GLY 14 -1.657 -6.539 -1.362
100 H ARG 15 H ARG 15 -1.108 -8.683 0.114
101 HA ARG 15 HA ARG 15 -0.176 -8.627 2.715
102 HB2 ARG 15 2HB ARG 15 -0.203 -10.573 1.212
103 HB3 ARG 15 1HB ARG 15 1.071 -9.852 0.229
104 HG2 ARG 15 2HG ARG 15 2.316 -11.268 1.575
105 HG3 ARG 15 1HG ARG 15 2.372 -9.776 2.510
106 HD2 ARG 15 2HD ARG 15 1.770 -11.451 4.106
107 HD3 ARG 15 1HD ARG 15 0.236 -10.663 3.696
108 HE ARG 15 HE ARG 15 -0.438 -12.631 2.577
109 HH11 ARG 15 1HH2 ARG 15 3.000 -12.614 3.064
110 HH12 ARG 15 2HH2 ARG 15 3.197 -14.275 2.641
111 HH21 ARG 15 1HH1 ARG 15 -0.177 -14.826 2.051
112 HH22 ARG 15 2HH1 ARG 15 1.409 -15.531 2.078
113 H TRP 16 H TRP 16 1.626 -7.418 -0.151
114 HA TRP 16 HA TRP 16 4.043 -6.737 1.243
115 HB2 TRP 16 2HB TRP 16 3.661 -6.926 -1.236
116 HB3 TRP 16 1HB TRP 16 2.771 -5.402 -1.166
117 HD1 TRP 16 HD TRP 16 6.256 -6.873 -0.609
118 HE1 TRP 16 1HE TRP 16 7.994 -5.009 -0.828
119 HE3 TRP 16 3HE TRP 16 3.158 -2.829 -1.047
120 HZ2 TRP 16 2HZ TRP 16 8.079 -2.145 -1.169
121 HZ3 TRP 16 3HZ TRP 16 4.087 -0.562 -1.324
122 HH2 TRP 16 HH TRP 16 6.541 -0.208 -1.381
123 H CYS 17 H CYS 17 1.501 -4.483 0.067
124 HA CYS 17 HA CYS 17 2.356 -2.207 1.511
125 HB2 CYS 17 2HB CYS 17 0.667 -2.172 -0.250
126 HB3 CYS 17 1HB CYS 17 -0.417 -3.141 0.736
127 H ARG 18 H ARG 18 0.061 -4.773 2.486
128 HA ARG 18 HA ARG 18 -0.811 -3.836 4.969
129 HB2 ARG 18 2HB ARG 18 -1.070 -6.107 3.596
130 HB3 ARG 18 1HB ARG 18 0.139 -6.669 4.740
131 HG2 ARG 18 2HG ARG 18 -1.301 -5.945 6.615
132 HG3 ARG 18 1HG ARG 18 -2.517 -5.390 5.460
133 HD2 ARG 18 2HD ARG 18 -1.598 -8.186 5.052
134 HD3 ARG 18 1HD ARG 18 -2.533 -7.907 6.534
135 HE ARG 18 HE ARG 18 -3.523 -7.609 3.777
136 HH11 ARG 18 1HH2 ARG 18 -3.901 -6.743 7.127
137 HH12 ARG 18 2HH2 ARG 18 -5.581 -6.378 6.978
138 HH21 ARG 18 1HH1 ARG 18 -5.736 -7.155 3.587
139 HH22 ARG 18 2HH1 ARG 18 -6.628 -6.614 4.968
140 H ASP 19 H ASP 19 2.267 -5.597 4.361
141 HA ASP 19 HA ASP 19 3.111 -5.018 7.151
142 HB2 ASP 19 2HB ASP 19 3.341 -7.207 5.596
143 HB3 ASP 19 1HB ASP 19 4.876 -6.420 5.208
144 H HIS 20 H HIS 20 3.798 -3.916 3.894
145 HA HIS 20 HA HIS 20 6.309 -2.592 4.792
146 HB2 HIS 20 2HB HIS 20 4.987 -2.978 2.089
147 HB3 HIS 20 1HB HIS 20 6.555 -2.214 2.323
148 HD1 HIS 20 1HD HIS 20 4.816 -5.554 2.909
149 HD2 HIS 20 2HD HIS 20 8.662 -4.009 2.568
150 HE1 HIS 20 1HE HIS 20 6.386 -7.546 2.873
151 H SER 21 H SER 21 3.014 -1.746 3.814
152 HA SER 21 HA SER 21 3.786 1.146 4.115
153 HB2 SER 21 2HB SER 21 2.956 -0.264 1.841
154 HB3 SER 21 1HB SER 21 1.523 0.605 2.370
155 HG SER 21 HG SER 21 3.293 2.398 2.596
156 H ARG 22 H ARG 22 2.721 1.960 5.893
157 HA ARG 22 HA ARG 22 0.224 0.792 6.903
158 HB2 ARG 22 2HB ARG 22 1.640 3.418 7.540
159 HB3 ARG 22 1HB ARG 22 0.440 2.613 8.551
160 HG2 ARG 22 2HG ARG 22 2.511 0.715 7.970
161 HG3 ARG 22 1HG ARG 22 3.275 2.203 8.525
162 HD2 ARG 22 2HD ARG 22 2.736 0.698 10.434
163 HD3 ARG 22 1HD ARG 22 1.800 2.204 10.531
164 HE ARG 22 HE ARG 22 0.255 0.420 8.978
165 HH11 ARG 22 1HH2 ARG 22 1.587 0.541 12.185
166 HH12 ARG 22 2HH2 ARG 22 0.282 -0.339 12.900
167 HH21 ARG 22 1HH1 ARG 22 -1.478 -0.705 9.916
168 HH22 ARG 22 2HH1 ARG 22 -1.465 -1.040 11.615
169 H CYS 23 H CYS 23 -0.387 1.198 4.419
170 HA CYS 23 HA CYS 23 -1.764 3.862 4.136
171 HB2 CYS 23 2HB CYS 23 0.318 2.900 2.711
172 HB3 CYS 23 1HB CYS 23 -0.982 2.116 1.826
173 H CYS 24 H CYS 24 -1.905 0.354 3.579
174 HA CYS 24 HA CYS 24 -4.800 0.554 2.830
175 HB2 CYS 24 2HB CYS 24 -2.490 -1.256 2.235
176 HB3 CYS 24 1HB CYS 24 -4.118 -1.930 2.152
177 HN1 NH2 25 2H CYS 24 -5.738 -1.991 5.284
178 HN2 NH2 25 1H CYS 24 -6.039 -1.560 3.671
Start of MODEL 7
1 H1 VAL 1 1HT VAL 1 10.329 0.086 2.672
2 H2 VAL 1 2HT VAL 1 10.463 1.726 2.259
3 H3 VAL 1 3HT VAL 1 11.605 0.608 1.687
4 HA VAL 1 HA VAL 1 9.901 1.316 0.005
5 HB VAL 1 HB VAL 1 11.354 -0.837 0.170
6 HG11 VAL 1 2HG1 VAL 1 10.271 -2.899 0.673
7 HG12 VAL 1 3HG1 VAL 1 8.672 -2.162 0.614
8 HG13 VAL 1 1HG1 VAL 1 9.750 -1.809 1.955
9 HG21 VAL 1 1HG2 VAL 1 10.183 -0.044 -1.880
10 HG22 VAL 1 2HG2 VAL 1 8.766 -0.979 -1.403
11 HG23 VAL 1 3HG2 VAL 1 10.281 -1.798 -1.785
12 H GLY 2 H GLY 2 7.650 1.071 -0.641
13 HA2 GLY 2 2HA GLY 2 5.536 -0.269 0.329
14 HA3 GLY 2 1HA GLY 2 5.793 0.844 1.655
15 H GLU 3 H GLU 3 6.742 2.935 -0.390
16 HA GLU 3 HA GLU 3 4.471 4.519 -0.637
17 HB2 GLU 3 2HB GLU 3 5.738 5.584 -2.547
18 HB3 GLU 3 1HB GLU 3 6.709 5.319 -1.104
19 HG2 GLU 3 2HG GLU 3 7.684 3.309 -2.066
20 HG3 GLU 3 1HG GLU 3 6.618 3.423 -3.464
21 H ARG 4 H ARG 4 5.490 1.962 -2.850
22 HA ARG 4 HA ARG 4 3.772 2.417 -5.032
23 HB2 ARG 4 2HB ARG 4 4.830 0.530 -5.669
24 HB3 ARG 4 1HB ARG 4 5.551 0.462 -4.070
25 HG2 ARG 4 2HG ARG 4 4.546 -1.608 -4.153
26 HG3 ARG 4 1HG ARG 4 3.245 -0.678 -3.421
27 HD2 ARG 4 2HD ARG 4 1.957 -0.712 -5.359
28 HD3 ARG 4 1HD ARG 4 3.376 -0.827 -6.420
29 HE ARG 4 HE ARG 4 3.533 -3.170 -5.024
30 HH11 ARG 4 1HH2 ARG 4 0.990 -1.600 -6.795
31 HH12 ARG 4 2HH2 ARG 4 0.114 -3.063 -7.080
32 HH21 ARG 4 1HH1 ARG 4 2.446 -5.087 -5.481
33 HH22 ARG 4 2HH1 ARG 4 0.961 -5.040 -6.369
34 H CYS 5 H CYS 5 2.981 1.240 -1.822
35 HA CYS 5 HA CYS 5 0.483 -0.025 -2.430
36 HB2 CYS 5 2HB CYS 5 1.518 -0.437 -0.329
37 HB3 CYS 5 1HB CYS 5 1.683 1.286 0.017
38 H CYS 6 H CYS 6 0.847 3.147 -0.766
39 HA CYS 6 HA CYS 6 -1.825 4.019 -1.298
40 HB2 CYS 6 2HB CYS 6 0.564 5.858 -1.003
41 HB3 CYS 6 1HB CYS 6 -1.080 6.102 -0.410
42 H LYS 7 H LYS 7 1.198 4.394 -3.152
43 HA LYS 7 HA LYS 7 0.400 6.272 -5.095
44 HB2 LYS 7 2HB LYS 7 2.213 3.895 -4.966
45 HB3 LYS 7 1HB LYS 7 1.908 4.603 -6.551
46 HG2 LYS 7 2HG LYS 7 2.534 6.526 -4.376
47 HG3 LYS 7 1HG LYS 7 3.861 5.484 -4.888
48 HD2 LYS 7 2HD LYS 7 2.159 6.958 -6.906
49 HD3 LYS 7 1HD LYS 7 3.554 7.728 -6.153
50 HE2 LYS 7 2HE LYS 7 3.824 5.006 -7.444
51 HE3 LYS 7 1HE LYS 7 3.943 6.487 -8.411
52 HZ1 LYS 7 3HZ LYS 7 5.738 7.250 -7.159
53 HZ2 LYS 7 1HZ LYS 7 6.073 5.605 -7.348
54 HZ3 LYS 7 2HZ LYS 7 5.444 6.173 -5.880
55 H ASN 8 H ASN 8 -0.380 2.855 -4.804
56 HA ASN 8 HA ASN 8 -1.996 2.965 -7.311
57 HB2 ASN 8 2HB ASN 8 -0.417 0.976 -5.817
58 HB3 ASN 8 1HB ASN 8 -1.931 0.361 -6.447
59 HD21 ASN 8 1HD2 ASN 8 1.270 1.072 -7.300
60 HD22 ASN 8 2HD2 ASN 8 1.081 0.972 -8.978
61 H GLY 9 H GLY 9 -2.339 2.886 -3.871
62 HA2 GLY 9 2HA GLY 9 -4.224 2.696 -2.495
63 HA3 GLY 9 1HA GLY 9 -5.157 3.193 -3.905
64 H LYS 10 H LYS 10 -6.583 1.694 -4.661
65 HA LYS 10 HA LYS 10 -6.984 -0.862 -3.515
66 HB2 LYS 10 2HB LYS 10 -7.702 0.450 -6.136
67 HB3 LYS 10 1HB LYS 10 -8.202 -1.207 -5.800
68 HG2 LYS 10 2HG LYS 10 -8.741 1.026 -3.834
69 HG3 LYS 10 1HG LYS 10 -9.852 0.676 -5.158
70 HD2 LYS 10 2HD LYS 10 -9.088 -1.780 -3.837
71 HD3 LYS 10 1HD LYS 10 -9.721 -0.634 -2.656
72 HE2 LYS 10 2HE LYS 10 -11.248 -0.788 -5.197
73 HE3 LYS 10 1HE LYS 10 -11.321 -2.234 -4.171
74 HZ1 LYS 10 3HZ LYS 10 -11.628 0.487 -3.038
75 HZ2 LYS 10 1HZ LYS 10 -12.069 -0.999 -2.345
76 HZ3 LYS 10 2HZ LYS 10 -12.958 -0.369 -3.644
77 H ARG 11 H ARG 11 -4.867 0.150 -6.132
78 HA ARG 11 HA ARG 11 -4.214 -2.601 -6.951
79 HB2 ARG 11 2HB ARG 11 -3.156 0.151 -7.635
80 HB3 ARG 11 1HB ARG 11 -2.595 -1.327 -8.412
81 HG2 ARG 11 2HG ARG 11 -4.736 -1.751 -9.362
82 HG3 ARG 11 1HG ARG 11 -5.521 -0.574 -8.315
83 HD2 ARG 11 2HD ARG 11 -5.332 0.599 -10.363
84 HD3 ARG 11 1HD ARG 11 -3.906 1.149 -9.454
85 HE ARG 11 HE ARG 11 -3.603 -1.279 -11.142
86 HH11 ARG 11 1HH2 ARG 11 -2.989 2.115 -10.639
87 HH12 ARG 11 2HH2 ARG 11 -1.713 2.172 -11.795
88 HH21 ARG 11 1HH1 ARG 11 -1.952 -1.172 -12.671
89 HH22 ARG 11 2HH1 ARG 11 -1.134 0.325 -12.952
90 H GLY 12 H GLY 12 -3.264 -0.583 -4.428
91 HA2 GLY 12 2HA GLY 12 -0.550 -1.808 -4.257
92 HA3 GLY 12 1HA GLY 12 -1.019 -0.306 -3.470
93 H CYS 13 H CYS 13 -3.655 -1.578 -2.628
94 HA CYS 13 HA CYS 13 -2.923 -2.423 -0.008
95 HB2 CYS 13 2HB CYS 13 -5.367 -2.681 -1.762
96 HB3 CYS 13 1HB CYS 13 -5.357 -3.357 -0.139
97 H GLY 14 H GLY 14 -2.429 -4.436 0.836
98 HA2 GLY 14 2HA GLY 14 -3.124 -6.968 0.116
99 HA3 GLY 14 1HA GLY 14 -1.840 -6.612 -1.043
100 H ARG 15 H ARG 15 -1.149 -8.625 0.524
101 HA ARG 15 HA ARG 15 -0.167 -8.197 3.123
102 HB2 ARG 15 2HB ARG 15 0.556 -10.325 2.819
103 HB3 ARG 15 1HB ARG 15 -0.169 -10.215 1.223
104 HG2 ARG 15 2HG ARG 15 1.860 -10.171 0.179
105 HG3 ARG 15 1HG ARG 15 2.574 -9.110 1.390
106 HD2 ARG 15 2HD ARG 15 1.939 -11.963 2.100
107 HD3 ARG 15 1HD ARG 15 3.447 -11.559 1.259
108 HE ARG 15 HE ARG 15 2.703 -10.686 3.996
109 HH11 ARG 15 1HH2 ARG 15 4.804 -10.367 1.227
110 HH12 ARG 15 2HH2 ARG 15 6.085 -9.646 2.129
111 HH21 ARG 15 1HH1 ARG 15 4.377 -9.696 5.155
112 HH22 ARG 15 2HH1 ARG 15 5.838 -9.251 4.345
113 H TRP 16 H TRP 16 1.458 -7.475 0.020
114 HA TRP 16 HA TRP 16 4.005 -6.641 1.009
115 HB2 TRP 16 2HB TRP 16 3.175 -6.950 -1.384
116 HB3 TRP 16 1HB TRP 16 2.387 -5.378 -1.220
117 HD1 TRP 16 HD TRP 16 5.804 -7.027 -1.438
118 HE1 TRP 16 1HE TRP 16 7.573 -5.234 -1.877
119 HE3 TRP 16 3HE TRP 16 2.964 -2.816 -0.877
120 HZ2 TRP 16 2HZ TRP 16 7.774 -2.369 -2.007
121 HZ3 TRP 16 3HZ TRP 16 3.961 -0.581 -1.169
122 HH2 TRP 16 HH TRP 16 6.359 -0.348 -1.734
123 H CYS 17 H CYS 17 1.222 -4.536 0.162
124 HA CYS 17 HA CYS 17 2.245 -2.204 1.463
125 HB2 CYS 17 2HB CYS 17 0.468 -2.089 -0.164
126 HB3 CYS 17 1HB CYS 17 -0.544 -3.163 0.783
127 H ARG 18 H ARG 18 -0.046 -4.701 2.612
128 HA ARG 18 HA ARG 18 -0.641 -3.710 5.174
129 HB2 ARG 18 2HB ARG 18 -1.372 -5.839 3.938
130 HB3 ARG 18 1HB ARG 18 0.081 -6.583 4.589
131 HG2 ARG 18 2HG ARG 18 -0.822 -5.586 6.876
132 HG3 ARG 18 1HG ARG 18 -2.368 -5.631 6.028
133 HD2 ARG 18 2HD ARG 18 -2.103 -7.745 7.202
134 HD3 ARG 18 1HD ARG 18 -1.896 -8.060 5.468
135 HE ARG 18 HE ARG 18 0.677 -7.468 6.330
136 HH11 ARG 18 1HH2 ARG 18 -1.808 -9.683 7.370
137 HH12 ARG 18 2HH2 ARG 18 -0.686 -10.877 7.914
138 HH21 ARG 18 1HH1 ARG 18 2.139 -9.058 7.024
139 HH22 ARG 18 2HH1 ARG 18 1.536 -10.533 7.708
140 H ASP 19 H ASP 19 2.270 -5.505 4.153
141 HA ASP 19 HA ASP 19 3.409 -5.298 6.872
142 HB2 ASP 19 2HB ASP 19 3.552 -7.068 4.666
143 HB3 ASP 19 1HB ASP 19 5.172 -6.405 4.878
144 H HIS 20 H HIS 20 3.947 -3.931 3.629
145 HA HIS 20 HA HIS 20 6.354 -2.468 4.643
146 HB2 HIS 20 2HB HIS 20 5.206 -2.819 1.856
147 HB3 HIS 20 1HB HIS 20 6.772 -2.114 2.238
148 HD1 HIS 20 1HD HIS 20 4.912 -5.422 2.619
149 HD2 HIS 20 2HD HIS 20 8.812 -3.997 2.377
150 HE1 HIS 20 1HE HIS 20 6.416 -7.457 2.501
151 H SER 21 H SER 21 3.036 -1.859 4.271
152 HA SER 21 HA SER 21 3.543 1.085 4.003
153 HB2 SER 21 2HB SER 21 1.606 -0.711 2.542
154 HB3 SER 21 1HB SER 21 1.540 1.037 2.465
155 HG SER 21 HG SER 21 3.444 1.067 1.400
156 H ARG 22 H ARG 22 2.544 2.131 5.680
157 HA ARG 22 HA ARG 22 0.270 0.799 7.087
158 HB2 ARG 22 2HB ARG 22 2.166 3.088 7.677
159 HB3 ARG 22 1HB ARG 22 0.720 2.819 8.652
160 HG2 ARG 22 2HG ARG 22 1.961 0.287 8.355
161 HG3 ARG 22 1HG ARG 22 3.244 1.430 8.759
162 HD2 ARG 22 2HD ARG 22 0.934 2.006 10.386
163 HD3 ARG 22 1HD ARG 22 1.353 0.292 10.547
164 HE ARG 22 HE ARG 22 3.748 1.091 10.910
165 HH11 ARG 22 1HH2 ARG 22 0.999 3.128 11.660
166 HH12 ARG 22 2HH2 ARG 22 1.888 4.112 12.762
167 HH21 ARG 22 1HH1 ARG 22 4.870 2.364 12.381
168 HH22 ARG 22 2HH1 ARG 22 4.078 3.684 13.175
169 H CYS 23 H CYS 23 -0.638 1.390 4.733
170 HA CYS 23 HA CYS 23 -2.530 3.590 5.046
171 HB2 CYS 23 2HB CYS 23 -0.862 5.062 4.422
172 HB3 CYS 23 1HB CYS 23 0.080 3.812 3.635
173 H CYS 24 H CYS 24 -3.901 1.692 4.621
174 HA CYS 24 HA CYS 24 -4.794 1.390 1.930
175 HB2 CYS 24 2HB CYS 24 -2.401 0.017 2.492
176 HB3 CYS 24 1HB CYS 24 -3.652 -1.226 2.508
177 HN1 NH2 25 2H CYS 24 -7.484 -0.209 3.576
178 HN2 NH2 25 1H CYS 24 -6.964 0.842 2.350
Start of MODEL 8
1 H1 VAL 1 1HT VAL 1 11.581 -0.333 1.845
2 H2 VAL 1 2HT VAL 1 10.096 -0.930 2.415
3 H3 VAL 1 3HT VAL 1 10.592 0.644 2.802
4 HA VAL 1 HA VAL 1 10.103 1.488 0.740
5 HB VAL 1 HB VAL 1 9.904 -0.163 -1.220
6 HG11 VAL 1 2HG1 VAL 1 12.623 -0.368 0.040
7 HG12 VAL 1 3HG1 VAL 1 11.989 1.205 -0.437
8 HG13 VAL 1 1HG1 VAL 1 12.190 -0.061 -1.640
9 HG21 VAL 1 1HG2 VAL 1 10.906 -2.370 -0.922
10 HG22 VAL 1 2HG2 VAL 1 9.565 -2.193 0.199
11 HG23 VAL 1 3HG2 VAL 1 11.225 -2.036 0.773
12 H GLY 2 H GLY 2 7.943 2.050 0.557
13 HA2 GLY 2 2HA GLY 2 5.882 -0.061 0.531
14 HA3 GLY 2 1HA GLY 2 5.818 1.037 1.896
15 H GLU 3 H GLU 3 6.940 2.346 -1.125
16 HA GLU 3 HA GLU 3 4.885 4.354 -1.195
17 HB2 GLU 3 2HB GLU 3 5.977 4.925 -3.360
18 HB3 GLU 3 1HB GLU 3 7.154 4.667 -2.074
19 HG2 GLU 3 2HG GLU 3 7.509 2.349 -2.873
20 HG3 GLU 3 1HG GLU 3 6.350 2.621 -4.168
21 H ARG 4 H ARG 4 5.352 1.366 -3.025
22 HA ARG 4 HA ARG 4 3.435 1.585 -5.035
23 HB2 ARG 4 2HB ARG 4 4.176 -0.803 -3.328
24 HB3 ARG 4 1HB ARG 4 3.323 -0.902 -4.865
25 HG2 ARG 4 2HG ARG 4 6.104 0.217 -4.426
26 HG3 ARG 4 1HG ARG 4 5.689 -1.286 -5.231
27 HD2 ARG 4 2HD ARG 4 5.186 -0.237 -7.191
28 HD3 ARG 4 1HD ARG 4 4.302 1.058 -6.367
29 HE ARG 4 HE ARG 4 6.315 2.314 -6.239
30 HH11 ARG 4 1HH2 ARG 4 6.932 -1.002 -7.102
31 HH12 ARG 4 2HH2 ARG 4 8.611 -0.742 -7.395
32 HH21 ARG 4 1HH1 ARG 4 8.501 2.664 -6.638
33 HH22 ARG 4 2HH1 ARG 4 9.504 1.337 -7.132
34 H CYS 5 H CYS 5 2.824 1.016 -1.587
35 HA CYS 5 HA CYS 5 0.138 0.049 -1.860
36 HB2 CYS 5 2HB CYS 5 1.524 -0.150 0.177
37 HB3 CYS 5 1HB CYS 5 1.462 1.601 0.388
38 H CYS 6 H CYS 6 0.936 3.289 -0.509
39 HA CYS 6 HA CYS 6 -1.628 4.398 -1.061
40 HB2 CYS 6 2HB CYS 6 0.805 5.158 0.140
41 HB3 CYS 6 1HB CYS 6 0.505 6.363 -1.110
42 H LYS 7 H LYS 7 1.359 4.373 -3.014
43 HA LYS 7 HA LYS 7 0.639 6.172 -5.067
44 HB2 LYS 7 2HB LYS 7 2.273 3.644 -4.915
45 HB3 LYS 7 1HB LYS 7 2.100 4.498 -6.448
46 HG2 LYS 7 2HG LYS 7 2.782 6.218 -4.142
47 HG3 LYS 7 1HG LYS 7 4.029 5.057 -4.593
48 HD2 LYS 7 2HD LYS 7 2.670 6.938 -6.542
49 HD3 LYS 7 1HD LYS 7 4.241 7.244 -5.800
50 HE2 LYS 7 2HE LYS 7 5.093 5.108 -6.780
51 HE3 LYS 7 1HE LYS 7 3.536 4.904 -7.609
52 HZ1 LYS 7 3HZ LYS 7 3.942 7.314 -8.379
53 HZ2 LYS 7 1HZ LYS 7 4.786 6.069 -9.150
54 HZ3 LYS 7 2HZ LYS 7 5.565 7.009 -7.977
55 H ASN 8 H ASN 8 -0.197 2.754 -4.689
56 HA ASN 8 HA ASN 8 -1.806 2.815 -7.180
57 HB2 ASN 8 2HB ASN 8 -0.506 0.832 -5.423
58 HB3 ASN 8 1HB ASN 8 -2.021 0.312 -6.125
59 HD21 ASN 8 1HD2 ASN 8 1.279 0.581 -6.746
60 HD22 ASN 8 2HD2 ASN 8 1.211 0.386 -8.423
61 H GLY 9 H GLY 9 -2.266 2.948 -3.730
62 HA2 GLY 9 2HA GLY 9 -4.236 3.132 -2.456
63 HA3 GLY 9 1HA GLY 9 -5.075 3.510 -3.961
64 H LYS 10 H LYS 10 -6.618 2.045 -4.497
65 HA LYS 10 HA LYS 10 -7.096 -0.406 -3.159
66 HB2 LYS 10 2HB LYS 10 -8.449 -0.906 -5.269
67 HB3 LYS 10 1HB LYS 10 -8.815 0.620 -4.470
68 HG2 LYS 10 2HG LYS 10 -8.356 1.714 -6.384
69 HG3 LYS 10 1HG LYS 10 -6.697 1.126 -6.311
70 HD2 LYS 10 2HD LYS 10 -7.064 -0.256 -8.044
71 HD3 LYS 10 1HD LYS 10 -8.411 -1.010 -7.195
72 HE2 LYS 10 2HE LYS 10 -8.742 1.663 -8.553
73 HE3 LYS 10 1HE LYS 10 -8.924 0.147 -9.458
74 HZ1 LYS 10 3HZ LYS 10 -10.263 0.479 -6.851
75 HZ2 LYS 10 1HZ LYS 10 -10.672 -0.538 -8.137
76 HZ3 LYS 10 2HZ LYS 10 -10.972 1.129 -8.253
77 H ARG 11 H ARG 11 -4.990 0.310 -5.892
78 HA ARG 11 HA ARG 11 -4.450 -2.500 -6.527
79 HB2 ARG 11 2HB ARG 11 -3.190 0.144 -7.330
80 HB3 ARG 11 1HB ARG 11 -2.723 -1.409 -8.014
81 HG2 ARG 11 2HG ARG 11 -5.519 -1.350 -8.175
82 HG3 ARG 11 1HG ARG 11 -4.976 0.253 -8.678
83 HD2 ARG 11 2HD ARG 11 -3.151 -1.481 -9.913
84 HD3 ARG 11 1HD ARG 11 -4.721 -2.285 -10.095
85 HE ARG 11 HE ARG 11 -5.564 -0.360 -11.250
86 HH11 ARG 11 1HH2 ARG 11 -2.293 0.068 -10.132
87 HH12 ARG 11 2HH2 ARG 11 -1.966 1.382 -11.194
88 HH21 ARG 11 1HH1 ARG 11 -5.132 1.384 -12.644
89 HH22 ARG 11 2HH1 ARG 11 -3.575 2.139 -12.616
90 H GLY 12 H GLY 12 -3.285 -0.186 -4.278
91 HA2 GLY 12 2HA GLY 12 -0.651 -1.423 -3.926
92 HA3 GLY 12 1HA GLY 12 -1.323 -0.103 -2.962
93 H CYS 13 H CYS 13 -3.864 -1.657 -2.513
94 HA CYS 13 HA CYS 13 -3.295 -2.824 -0.001
95 HB2 CYS 13 2HB CYS 13 -5.507 -2.765 -1.963
96 HB3 CYS 13 1HB CYS 13 -5.548 -4.138 -0.853
97 H GLY 14 H GLY 14 -2.163 -4.616 0.485
98 HA2 GLY 14 2HA GLY 14 -2.555 -7.197 -0.533
99 HA3 GLY 14 1HA GLY 14 -1.246 -6.500 -1.489
100 H ARG 15 H ARG 15 -0.743 -8.684 0.195
101 HA ARG 15 HA ARG 15 0.035 -8.271 2.836
102 HB2 ARG 15 2HB ARG 15 1.894 -9.956 2.254
103 HB3 ARG 15 1HB ARG 15 0.243 -10.443 1.888
104 HG2 ARG 15 2HG ARG 15 0.755 -10.676 -0.289
105 HG3 ARG 15 1HG ARG 15 1.325 -9.014 -0.370
106 HD2 ARG 15 2HD ARG 15 3.156 -10.540 -0.980
107 HD3 ARG 15 1HD ARG 15 3.530 -9.785 0.584
108 HE ARG 15 HE ARG 15 1.991 -12.225 0.925
109 HH11 ARG 15 1HH2 ARG 15 5.165 -10.954 0.300
110 HH12 ARG 15 2HH2 ARG 15 5.985 -12.327 0.953
111 HH21 ARG 15 1HH1 ARG 15 3.071 -14.032 1.775
112 HH22 ARG 15 2HH1 ARG 15 4.800 -14.075 1.783
113 H TRP 16 H TRP 16 1.917 -7.391 -0.072
114 HA TRP 16 HA TRP 16 4.299 -6.487 1.181
115 HB2 TRP 16 2HB TRP 16 3.720 -6.777 -1.292
116 HB3 TRP 16 1HB TRP 16 2.906 -5.214 -1.193
117 HD1 TRP 16 HD TRP 16 6.349 -6.828 -0.953
118 HE1 TRP 16 1HE TRP 16 8.137 -5.034 -1.239
119 HE3 TRP 16 3HE TRP 16 3.416 -2.656 -0.932
120 HZ2 TRP 16 2HZ TRP 16 8.326 -2.190 -1.443
121 HZ3 TRP 16 3HZ TRP 16 4.430 -0.419 -1.177
122 HH2 TRP 16 HH TRP 16 6.881 -0.177 -1.431
123 H CYS 17 H CYS 17 1.544 -4.424 0.103
124 HA CYS 17 HA CYS 17 2.410 -2.087 1.505
125 HB2 CYS 17 2HB CYS 17 0.792 -1.721 -0.125
126 HB3 CYS 17 1HB CYS 17 -0.146 -3.119 0.343
127 H ARG 18 H ARG 18 0.170 -4.677 2.436
128 HA ARG 18 HA ARG 18 -0.743 -3.644 4.909
129 HB2 ARG 18 2HB ARG 18 -1.118 -5.917 3.527
130 HB3 ARG 18 1HB ARG 18 0.018 -6.531 4.724
131 HG2 ARG 18 2HG ARG 18 -1.423 -5.655 6.536
132 HG3 ARG 18 1HG ARG 18 -2.575 -5.079 5.334
133 HD2 ARG 18 2HD ARG 18 -1.794 -7.966 5.173
134 HD3 ARG 18 1HD ARG 18 -2.855 -7.478 6.508
135 HE ARG 18 HE ARG 18 -3.625 -6.392 3.876
136 HH11 ARG 18 1HH2 ARG 18 -3.936 -8.985 6.177
137 HH12 ARG 18 2HH2 ARG 18 -5.507 -9.453 5.632
138 HH21 ARG 18 1HH1 ARG 18 -5.707 -6.992 3.189
139 HH22 ARG 18 2HH1 ARG 18 -6.515 -8.318 3.953
140 H ASP 19 H ASP 19 2.247 -5.463 4.209
141 HA ASP 19 HA ASP 19 3.167 -5.208 7.012
142 HB2 ASP 19 2HB ASP 19 3.321 -7.175 5.189
143 HB3 ASP 19 1HB ASP 19 4.825 -6.346 4.799
144 H HIS 20 H HIS 20 3.968 -3.917 3.797
145 HA HIS 20 HA HIS 20 6.304 -2.416 4.914
146 HB2 HIS 20 2HB HIS 20 5.317 -2.913 2.085
147 HB3 HIS 20 1HB HIS 20 6.840 -2.146 2.508
148 HD1 HIS 20 1HD HIS 20 5.063 -5.504 2.878
149 HD2 HIS 20 2HD HIS 20 8.912 -3.924 2.937
150 HE1 HIS 20 1HE HIS 20 6.652 -7.480 2.921
151 H SER 21 H SER 21 3.008 -1.790 4.316
152 HA SER 21 HA SER 21 3.628 1.110 3.880
153 HB2 SER 21 2HB SER 21 1.474 -0.579 2.586
154 HB3 SER 21 1HB SER 21 1.789 1.108 2.255
155 HG SER 21 HG SER 21 4.075 0.037 1.872
156 H ARG 22 H ARG 22 1.786 2.520 4.398
157 HA ARG 22 HA ARG 22 -0.099 1.407 6.452
158 HB2 ARG 22 2HB ARG 22 1.995 3.456 6.593
159 HB3 ARG 22 1HB ARG 22 0.421 4.082 7.071
160 HG2 ARG 22 2HG ARG 22 0.276 1.856 8.469
161 HG3 ARG 22 1HG ARG 22 2.032 1.878 8.312
162 HD2 ARG 22 2HD ARG 22 1.435 3.042 10.380
163 HD3 ARG 22 1HD ARG 22 2.003 4.252 9.223
164 HE ARG 22 HE ARG 22 -0.843 3.762 9.958
165 HH11 ARG 22 1HH2 ARG 22 1.557 5.556 8.138
166 HH12 ARG 22 2HH2 ARG 22 0.470 6.840 7.765
167 HH21 ARG 22 1HH1 ARG 22 -2.230 5.454 9.443
168 HH22 ARG 22 2HH1 ARG 22 -1.666 6.783 8.493
169 H CYS 23 H CYS 23 -0.875 1.576 3.818
170 HA CYS 23 HA CYS 23 -2.745 3.906 3.815
171 HB2 CYS 23 2HB CYS 23 -0.605 4.344 2.527
172 HB3 CYS 23 1HB CYS 23 -1.036 3.002 1.472
173 H CYS 24 H CYS 24 -3.316 1.182 4.459
174 HA CYS 24 HA CYS 24 -5.418 0.573 2.521
175 HB2 CYS 24 2HB CYS 24 -2.754 -0.567 2.298
176 HB3 CYS 24 1HB CYS 24 -3.951 -1.837 2.552
177 HN1 NH2 25 2H CYS 24 -6.411 -0.456 5.866
178 HN2 NH2 25 1H CYS 24 -6.369 0.899 4.844
Start of MODEL 9
1 H1 VAL 1 1HT VAL 1 10.687 1.746 1.271
2 H2 VAL 1 2HT VAL 1 10.211 2.089 -0.324
3 H3 VAL 1 3HT VAL 1 11.463 0.985 -0.028
4 HA VAL 1 HA VAL 1 9.495 -0.244 -0.589
5 HB VAL 1 HB VAL 1 9.329 -0.801 2.254
6 HG11 VAL 1 2HG1 VAL 1 10.872 -2.215 0.048
7 HG12 VAL 1 3HG1 VAL 1 9.143 -2.406 0.347
8 HG13 VAL 1 1HG1 VAL 1 10.307 -2.923 1.567
9 HG21 VAL 1 1HG2 VAL 1 11.819 -1.257 2.577
10 HG22 VAL 1 2HG2 VAL 1 11.355 0.441 2.636
11 HG23 VAL 1 3HG2 VAL 1 12.114 -0.215 1.185
12 H GLY 2 H GLY 2 7.294 -0.886 0.263
13 HA2 GLY 2 2HA GLY 2 5.112 -0.386 0.934
14 HA3 GLY 2 1HA GLY 2 5.787 0.834 1.985
15 H GLU 3 H GLU 3 7.021 2.451 -0.115
16 HA GLU 3 HA GLU 3 5.233 4.406 -0.713
17 HB2 GLU 3 2HB GLU 3 6.712 4.870 -2.684
18 HB3 GLU 3 1HB GLU 3 7.616 4.477 -1.218
19 HG2 GLU 3 2HG GLU 3 7.351 1.995 -2.188
20 HG3 GLU 3 1HG GLU 3 7.253 2.881 -3.709
21 H ARG 4 H ARG 4 5.570 1.460 -2.656
22 HA ARG 4 HA ARG 4 3.944 2.185 -4.855
23 HB2 ARG 4 2HB ARG 4 4.241 -0.535 -3.568
24 HB3 ARG 4 1HB ARG 4 3.814 -0.212 -5.243
25 HG2 ARG 4 2HG ARG 4 6.466 0.344 -3.887
26 HG3 ARG 4 1HG ARG 4 6.134 -0.769 -5.199
27 HD2 ARG 4 2HD ARG 4 5.215 1.687 -6.162
28 HD3 ARG 4 1HD ARG 4 6.748 2.063 -5.358
29 HE ARG 4 HE ARG 4 6.403 0.322 -7.695
30 HH11 ARG 4 1HH2 ARG 4 8.414 1.194 -4.970
31 HH12 ARG 4 2HH2 ARG 4 9.850 0.537 -5.672
32 HH21 ARG 4 1HH1 ARG 4 8.269 -0.544 -8.580
33 HH22 ARG 4 2HH1 ARG 4 9.769 -0.449 -7.720
34 H CYS 5 H CYS 5 2.970 1.165 -1.611
35 HA CYS 5 HA CYS 5 0.332 0.263 -2.222
36 HB2 CYS 5 2HB CYS 5 1.482 -0.138 -0.107
37 HB3 CYS 5 1HB CYS 5 1.465 1.587 0.256
38 H CYS 6 H CYS 6 0.892 3.354 -0.477
39 HA CYS 6 HA CYS 6 -1.603 4.509 -1.043
40 HB2 CYS 6 2HB CYS 6 0.903 5.260 0.066
41 HB3 CYS 6 1HB CYS 6 0.462 6.522 -1.083
42 H LYS 7 H LYS 7 1.302 4.443 -3.072
43 HA LYS 7 HA LYS 7 0.499 6.324 -5.065
44 HB2 LYS 7 2HB LYS 7 2.329 3.962 -4.850
45 HB3 LYS 7 1HB LYS 7 2.029 4.637 -6.451
46 HG2 LYS 7 2HG LYS 7 2.823 6.397 -4.130
47 HG3 LYS 7 1HG LYS 7 4.033 5.579 -5.113
48 HD2 LYS 7 2HD LYS 7 1.890 7.424 -6.211
49 HD3 LYS 7 1HD LYS 7 3.557 7.900 -5.901
50 HE2 LYS 7 2HE LYS 7 4.308 6.075 -7.480
51 HE3 LYS 7 1HE LYS 7 2.610 5.812 -7.899
52 HZ1 LYS 7 3HZ LYS 7 4.200 8.286 -8.258
53 HZ2 LYS 7 1HZ LYS 7 2.508 8.288 -8.328
54 HZ3 LYS 7 2HZ LYS 7 3.405 7.375 -9.445
55 H ASN 8 H ASN 8 -0.142 2.872 -4.689
56 HA ASN 8 HA ASN 8 -1.673 2.802 -7.224
57 HB2 ASN 8 2HB ASN 8 -0.269 0.944 -5.417
58 HB3 ASN 8 1HB ASN 8 -1.730 0.294 -6.134
59 HD21 ASN 8 1HD2 ASN 8 1.545 0.702 -6.690
60 HD22 ASN 8 2HD2 ASN 8 1.531 0.532 -8.378
61 H GLY 9 H GLY 9 -2.249 2.854 -3.773
62 HA2 GLY 9 2HA GLY 9 -4.276 2.960 -2.585
63 HA3 GLY 9 1HA GLY 9 -5.070 3.299 -4.116
64 H LYS 10 H LYS 10 -6.482 1.767 -4.791
65 HA LYS 10 HA LYS 10 -7.055 -0.635 -3.412
66 HB2 LYS 10 2HB LYS 10 -7.619 0.564 -6.092
67 HB3 LYS 10 1HB LYS 10 -7.963 -1.154 -5.908
68 HG2 LYS 10 2HG LYS 10 -8.894 0.609 -3.701
69 HG3 LYS 10 1HG LYS 10 -9.742 0.773 -5.239
70 HD2 LYS 10 2HD LYS 10 -9.966 -1.765 -5.255
71 HD3 LYS 10 1HD LYS 10 -9.384 -1.748 -3.592
72 HE2 LYS 10 2HE LYS 10 -11.752 -0.075 -4.479
73 HE3 LYS 10 1HE LYS 10 -11.933 -1.730 -3.875
74 HZ1 LYS 10 3HZ LYS 10 -11.595 -1.037 -1.804
75 HZ2 LYS 10 1HZ LYS 10 -11.638 0.559 -2.353
76 HZ3 LYS 10 2HZ LYS 10 -10.153 -0.244 -2.224
77 H ARG 11 H ARG 11 -4.771 0.021 -6.019
78 HA ARG 11 HA ARG 11 -4.125 -2.784 -6.519
79 HB2 ARG 11 2HB ARG 11 -2.814 -0.141 -7.237
80 HB3 ARG 11 1HB ARG 11 -2.305 -1.696 -7.891
81 HG2 ARG 11 2HG ARG 11 -5.041 -1.715 -8.316
82 HG3 ARG 11 1HG ARG 11 -4.612 -0.028 -8.610
83 HD2 ARG 11 2HD ARG 11 -3.177 -2.395 -9.866
84 HD3 ARG 11 1HD ARG 11 -4.433 -1.432 -10.675
85 HE ARG 11 HE ARG 11 -2.256 0.183 -9.522
86 HH11 ARG 11 1HH2 ARG 11 -3.371 -1.628 -12.280
87 HH12 ARG 11 2HH2 ARG 11 -2.440 -0.714 -13.413
88 HH21 ARG 11 1HH1 ARG 11 -1.077 1.401 -11.003
89 HH22 ARG 11 2HH1 ARG 11 -1.138 1.013 -12.692
90 H GLY 12 H GLY 12 -3.037 -0.271 -4.412
91 HA2 GLY 12 2HA GLY 12 -0.504 -1.493 -3.704
92 HA3 GLY 12 1HA GLY 12 -1.274 -0.153 -2.856
93 H CYS 13 H CYS 13 -3.822 -1.616 -2.465
94 HA CYS 13 HA CYS 13 -3.361 -2.758 0.084
95 HB2 CYS 13 2HB CYS 13 -5.527 -2.377 -1.769
96 HB3 CYS 13 1HB CYS 13 -5.647 -3.991 -1.066
97 H GLY 14 H GLY 14 -2.479 -4.655 0.686
98 HA2 GLY 14 2HA GLY 14 -2.923 -7.217 -0.185
99 HA3 GLY 14 1HA GLY 14 -1.690 -6.638 -1.309
100 H ARG 15 H ARG 15 -0.945 -8.713 0.300
101 HA ARG 15 HA ARG 15 0.059 -8.403 2.853
102 HB2 ARG 15 2HB ARG 15 0.309 -10.473 1.690
103 HB3 ARG 15 1HB ARG 15 1.157 -9.708 0.349
104 HG2 ARG 15 2HG ARG 15 3.074 -10.322 1.351
105 HG3 ARG 15 1HG ARG 15 2.721 -9.101 2.573
106 HD2 ARG 15 2HD ARG 15 1.125 -11.240 3.365
107 HD3 ARG 15 1HD ARG 15 2.618 -12.025 2.808
108 HE ARG 15 HE ARG 15 3.093 -9.641 4.460
109 HH11 ARG 15 1HH2 ARG 15 2.559 -13.083 4.404
110 HH12 ARG 15 2HH2 ARG 15 3.294 -13.348 5.943
111 HH21 ARG 15 1HH1 ARG 15 4.058 -9.984 6.480
112 HH22 ARG 15 2HH1 ARG 15 4.150 -11.593 7.122
113 H TRP 16 H TRP 16 1.823 -7.476 -0.124
114 HA TRP 16 HA TRP 16 4.164 -6.404 0.953
115 HB2 TRP 16 2HB TRP 16 3.359 -6.714 -1.459
116 HB3 TRP 16 1HB TRP 16 2.560 -5.150 -1.281
117 HD1 TRP 16 HD TRP 16 6.000 -6.774 -1.432
118 HE1 TRP 16 1HE TRP 16 7.742 -4.952 -1.855
119 HE3 TRP 16 3HE TRP 16 3.067 -2.636 -0.929
120 HZ2 TRP 16 2HZ TRP 16 7.879 -2.081 -1.996
121 HZ3 TRP 16 3HZ TRP 16 4.020 -0.387 -1.223
122 HH2 TRP 16 HH TRP 16 6.419 -0.097 -1.753
123 H CYS 17 H CYS 17 1.279 -4.410 0.115
124 HA CYS 17 HA CYS 17 2.218 -2.084 1.509
125 HB2 CYS 17 2HB CYS 17 0.534 -1.868 -0.169
126 HB3 CYS 17 1HB CYS 17 -0.489 -3.063 0.601
127 H ARG 18 H ARG 18 0.020 -4.719 2.482
128 HA ARG 18 HA ARG 18 -0.782 -3.734 5.019
129 HB2 ARG 18 2HB ARG 18 -0.998 -6.080 3.539
130 HB3 ARG 18 1HB ARG 18 -0.143 -6.592 4.991
131 HG2 ARG 18 2HG ARG 18 -1.879 -5.619 6.405
132 HG3 ARG 18 1HG ARG 18 -2.724 -4.996 4.986
133 HD2 ARG 18 2HD ARG 18 -2.126 -7.944 5.188
134 HD3 ARG 18 1HD ARG 18 -3.527 -7.270 6.041
135 HE ARG 18 HE ARG 18 -3.224 -7.475 3.128
136 HH11 ARG 18 1HH2 ARG 18 -4.763 -5.852 5.808
137 HH12 ARG 18 2HH2 ARG 18 -6.118 -5.321 4.869
138 HH21 ARG 18 1HH1 ARG 18 -5.000 -6.785 1.918
139 HH22 ARG 18 2HH1 ARG 18 -6.251 -5.851 2.665
140 H ASP 19 H ASP 19 2.223 -5.427 4.118
141 HA ASP 19 HA ASP 19 3.222 -5.287 6.917
142 HB2 ASP 19 2HB ASP 19 3.373 -7.169 4.967
143 HB3 ASP 19 1HB ASP 19 4.887 -6.312 4.674
144 H HIS 20 H HIS 20 3.940 -3.934 3.698
145 HA HIS 20 HA HIS 20 6.294 -2.447 4.775
146 HB2 HIS 20 2HB HIS 20 5.141 -2.798 1.989
147 HB3 HIS 20 1HB HIS 20 6.666 -2.003 2.349
148 HD1 HIS 20 1HD HIS 20 5.002 -5.411 2.515
149 HD2 HIS 20 2HD HIS 20 8.814 -3.762 2.696
150 HE1 HIS 20 1HE HIS 20 6.629 -7.351 2.451
151 H SER 21 H SER 21 2.960 -1.845 4.073
152 HA SER 21 HA SER 21 3.533 1.096 3.889
153 HB2 SER 21 2HB SER 21 1.407 -0.643 2.632
154 HB3 SER 21 1HB SER 21 1.499 1.098 2.439
155 HG SER 21 HG SER 21 3.255 0.883 1.218
156 H ARG 22 H ARG 22 1.705 2.447 4.538
157 HA ARG 22 HA ARG 22 -0.087 1.274 6.628
158 HB2 ARG 22 2HB ARG 22 1.650 3.770 6.661
159 HB3 ARG 22 1HB ARG 22 0.347 3.508 7.817
160 HG2 ARG 22 2HG ARG 22 1.474 1.244 8.321
161 HG3 ARG 22 1HG ARG 22 2.870 1.880 7.451
162 HD2 ARG 22 2HD ARG 22 3.148 2.330 9.843
163 HD3 ARG 22 1HD ARG 22 2.855 3.866 9.005
164 HE ARG 22 HE ARG 22 0.384 2.574 9.887
165 HH11 ARG 22 1HH2 ARG 22 3.033 4.635 10.811
166 HH12 ARG 22 2HH2 ARG 22 2.146 5.421 12.069
167 HH21 ARG 22 1HH1 ARG 22 -0.775 3.658 11.516
168 HH22 ARG 22 2HH1 ARG 22 -0.004 4.891 12.445
169 H CYS 23 H CYS 23 -0.720 1.677 3.892
170 HA CYS 23 HA CYS 23 -2.583 4.036 3.973
171 HB2 CYS 23 2HB CYS 23 -0.488 4.274 2.585
172 HB3 CYS 23 1HB CYS 23 -1.022 2.902 1.622
173 H CYS 24 H CYS 24 -3.037 1.092 4.580
174 HA CYS 24 HA CYS 24 -5.425 0.755 2.896
175 HB2 CYS 24 2HB CYS 24 -2.906 -0.356 2.148
176 HB3 CYS 24 1HB CYS 24 -3.948 -1.692 2.644
177 HN1 NH2 25 2H CYS 24 -6.263 -0.585 6.126
178 HN2 NH2 25 1H CYS 24 -6.367 0.798 5.146
Start of MODEL 10
1 H1 VAL 1 1HT VAL 1 11.077 1.428 2.199
2 H2 VAL 1 2HT VAL 1 11.197 -0.259 2.265
3 H3 VAL 1 3HT VAL 1 9.896 0.524 3.011
4 HA VAL 1 HA VAL 1 10.039 1.215 0.238
5 HB VAL 1 HB VAL 1 9.446 -1.067 -0.575
6 HG11 VAL 1 2HG1 VAL 1 11.913 -0.106 -0.246
7 HG12 VAL 1 3HG1 VAL 1 11.639 -1.742 -0.842
8 HG13 VAL 1 1HG1 VAL 1 12.041 -1.478 0.853
9 HG21 VAL 1 1HG2 VAL 1 8.702 -1.776 1.823
10 HG22 VAL 1 2HG2 VAL 1 10.408 -2.153 2.074
11 HG23 VAL 1 3HG2 VAL 1 9.498 -2.984 0.813
12 H GLY 2 H GLY 2 7.725 0.665 -0.658
13 HA2 GLY 2 2HA GLY 2 5.467 -0.164 0.304
14 HA3 GLY 2 1HA GLY 2 5.791 0.966 1.594
15 H GLU 3 H GLU 3 7.031 2.711 -0.761
16 HA GLU 3 HA GLU 3 4.990 4.599 -1.008
17 HB2 GLU 3 2HB GLU 3 6.273 5.306 -3.053
18 HB3 GLU 3 1HB GLU 3 7.277 5.026 -1.634
19 HG2 GLU 3 2HG GLU 3 8.158 3.058 -2.475
20 HG3 GLU 3 1HG GLU 3 6.779 2.756 -3.524
21 H ARG 4 H ARG 4 5.423 1.664 -2.886
22 HA ARG 4 HA ARG 4 3.734 2.221 -5.105
23 HB2 ARG 4 2HB ARG 4 4.139 -0.414 -3.671
24 HB3 ARG 4 1HB ARG 4 3.681 -0.195 -5.356
25 HG2 ARG 4 2HG ARG 4 6.331 0.426 -4.048
26 HG3 ARG 4 1HG ARG 4 5.994 -0.665 -5.381
27 HD2 ARG 4 2HD ARG 4 5.058 1.753 -6.358
28 HD3 ARG 4 1HD ARG 4 6.518 2.213 -5.459
29 HE ARG 4 HE ARG 4 6.635 -0.146 -7.284
30 HH11 ARG 4 1HH2 ARG 4 7.616 3.127 -6.502
31 HH12 ARG 4 2HH2 ARG 4 8.994 3.068 -7.544
32 HH21 ARG 4 1HH1 ARG 4 8.444 -0.163 -8.645
33 HH22 ARG 4 2HH1 ARG 4 9.461 1.234 -8.740
34 H CYS 5 H CYS 5 2.929 1.395 -1.778
35 HA CYS 5 HA CYS 5 0.290 0.395 -2.271
36 HB2 CYS 5 2HB CYS 5 1.576 0.043 -0.198
37 HB3 CYS 5 1HB CYS 5 1.421 1.761 0.188
38 H CYS 6 H CYS 6 0.946 3.592 -0.683
39 HA CYS 6 HA CYS 6 -1.655 4.608 -1.085
40 HB2 CYS 6 2HB CYS 6 0.898 6.237 -1.179
41 HB3 CYS 6 1HB CYS 6 -0.693 6.774 -0.669
42 H LYS 7 H LYS 7 1.139 4.739 -3.293
43 HA LYS 7 HA LYS 7 0.088 6.469 -5.282
44 HB2 LYS 7 2HB LYS 7 2.209 4.487 -4.960
45 HB3 LYS 7 1HB LYS 7 1.559 4.473 -6.595
46 HG2 LYS 7 2HG LYS 7 2.445 6.484 -7.095
47 HG3 LYS 7 1HG LYS 7 1.980 7.178 -5.542
48 HD2 LYS 7 2HD LYS 7 4.276 7.182 -5.279
49 HD3 LYS 7 1HD LYS 7 3.921 5.571 -4.658
50 HE2 LYS 7 2HE LYS 7 5.684 5.215 -6.225
51 HE3 LYS 7 1HE LYS 7 4.225 4.787 -7.131
52 HZ1 LYS 7 3HZ LYS 7 4.165 6.880 -8.162
53 HZ2 LYS 7 1HZ LYS 7 5.791 6.423 -8.241
54 HZ3 LYS 7 2HZ LYS 7 5.288 7.554 -7.076
55 H ASN 8 H ASN 8 -0.240 2.966 -4.910
56 HA ASN 8 HA ASN 8 -2.018 2.811 -7.267
57 HB2 ASN 8 2HB ASN 8 -0.415 1.003 -5.536
58 HB3 ASN 8 1HB ASN 8 -1.822 0.299 -6.310
59 HD21 ASN 8 1HD2 ASN 8 1.415 0.875 -6.808
60 HD22 ASN 8 2HD2 ASN 8 1.426 0.841 -8.497
61 H GLY 9 H GLY 9 -2.271 2.806 -3.782
62 HA2 GLY 9 2HA GLY 9 -4.136 2.608 -2.363
63 HA3 GLY 9 1HA GLY 9 -5.083 3.153 -3.747
64 H LYS 10 H LYS 10 -6.500 1.698 -4.590
65 HA LYS 10 HA LYS 10 -6.945 -0.893 -3.514
66 HB2 LYS 10 2HB LYS 10 -7.660 0.492 -6.104
67 HB3 LYS 10 1HB LYS 10 -8.208 -1.151 -5.771
68 HG2 LYS 10 2HG LYS 10 -9.676 -0.476 -4.141
69 HG3 LYS 10 1HG LYS 10 -8.627 0.835 -3.595
70 HD2 LYS 10 2HD LYS 10 -9.923 2.269 -4.737
71 HD3 LYS 10 1HD LYS 10 -9.370 1.512 -6.230
72 HE2 LYS 10 2HE LYS 10 -11.706 0.456 -4.593
73 HE3 LYS 10 1HE LYS 10 -11.883 1.542 -5.985
74 HZ1 LYS 10 3HZ LYS 10 -12.019 -0.760 -6.696
75 HZ2 LYS 10 1HZ LYS 10 -10.516 -1.104 -6.002
76 HZ3 LYS 10 2HZ LYS 10 -10.616 -0.044 -7.328
77 H ARG 11 H ARG 11 -4.843 0.210 -6.112
78 HA ARG 11 HA ARG 11 -4.254 -2.445 -7.156
79 HB2 ARG 11 2HB ARG 11 -2.941 0.270 -7.446
80 HB3 ARG 11 1HB ARG 11 -2.509 -1.138 -8.409
81 HG2 ARG 11 2HG ARG 11 -4.633 -1.187 -9.461
82 HG3 ARG 11 1HG ARG 11 -5.347 -0.113 -8.257
83 HD2 ARG 11 2HD ARG 11 -4.902 1.587 -9.708
84 HD3 ARG 11 1HD ARG 11 -3.196 1.355 -9.288
85 HE ARG 11 HE ARG 11 -4.423 -0.342 -11.415
86 HH11 ARG 11 1HH2 ARG 11 -2.056 2.023 -10.374
87 HH12 ARG 11 2HH2 ARG 11 -1.189 1.973 -11.865
88 HH21 ARG 11 1HH1 ARG 11 -3.263 -0.383 -13.343
89 HH22 ARG 11 2HH1 ARG 11 -1.873 0.627 -13.541
90 H GLY 12 H GLY 12 -3.108 -0.535 -4.534
91 HA2 GLY 12 2HA GLY 12 -0.769 -2.366 -4.214
92 HA3 GLY 12 1HA GLY 12 -0.764 -0.688 -3.673
93 H CYS 13 H CYS 13 -3.673 -2.568 -3.199
94 HA CYS 13 HA CYS 13 -3.182 -2.445 -0.267
95 HB2 CYS 13 2HB CYS 13 -5.255 -1.586 -1.657
96 HB3 CYS 13 1HB CYS 13 -5.754 -3.272 -1.571
97 H GLY 14 H GLY 14 -1.710 -4.267 -0.330
98 HA2 GLY 14 2HA GLY 14 -3.137 -6.857 -0.232
99 HA3 GLY 14 1HA GLY 14 -1.764 -6.742 -1.333
100 H ARG 15 H ARG 15 -1.321 -8.584 0.467
101 HA ARG 15 HA ARG 15 -0.531 -8.047 3.083
102 HB2 ARG 15 2HB ARG 15 1.126 -9.929 2.709
103 HB3 ARG 15 1HB ARG 15 -0.525 -10.286 2.217
104 HG2 ARG 15 2HG ARG 15 0.192 -9.534 -0.138
105 HG3 ARG 15 1HG ARG 15 1.848 -9.631 0.465
106 HD2 ARG 15 2HD ARG 15 -0.180 -11.902 0.426
107 HD3 ARG 15 1HD ARG 15 1.273 -11.772 -0.578
108 HE ARG 15 HE ARG 15 1.215 -12.395 2.313
109 HH11 ARG 15 1HH2 ARG 15 3.058 -11.420 -0.477
110 HH12 ARG 15 2HH2 ARG 15 4.579 -11.844 0.222
111 HH21 ARG 15 1HH1 ARG 15 3.195 -12.973 3.217
112 HH22 ARG 15 2HH1 ARG 15 4.660 -12.749 2.324
113 H TRP 16 H TRP 16 1.429 -7.485 0.146
114 HA TRP 16 HA TRP 16 3.885 -6.722 1.375
115 HB2 TRP 16 2HB TRP 16 3.330 -7.029 -1.090
116 HB3 TRP 16 1HB TRP 16 2.594 -5.427 -1.041
117 HD1 TRP 16 HD TRP 16 5.955 -7.201 -0.700
118 HE1 TRP 16 1HE TRP 16 7.832 -5.504 -1.054
119 HE3 TRP 16 3HE TRP 16 3.218 -2.891 -0.908
120 HZ2 TRP 16 2HZ TRP 16 8.153 -2.677 -1.402
121 HZ3 TRP 16 3HZ TRP 16 4.338 -0.724 -1.265
122 HH2 TRP 16 HH TRP 16 6.792 -0.607 -1.520
123 H CYS 17 H CYS 17 1.336 -4.462 0.203
124 HA CYS 17 HA CYS 17 2.386 -2.183 1.566
125 HB2 CYS 17 2HB CYS 17 0.783 -1.832 -0.148
126 HB3 CYS 17 1HB CYS 17 -0.333 -3.003 0.540
127 H ARG 18 H ARG 18 -0.133 -4.533 2.485
128 HA ARG 18 HA ARG 18 -1.015 -3.518 4.930
129 HB2 ARG 18 2HB ARG 18 -1.058 -5.953 3.529
130 HB3 ARG 18 1HB ARG 18 -0.389 -6.362 5.108
131 HG2 ARG 18 2HG ARG 18 -2.284 -5.510 6.253
132 HG3 ARG 18 1HG ARG 18 -2.862 -4.654 4.823
133 HD2 ARG 18 2HD ARG 18 -2.566 -7.662 4.779
134 HD3 ARG 18 1HD ARG 18 -4.032 -6.910 5.433
135 HE ARG 18 HE ARG 18 -3.169 -6.860 2.615
136 HH11 ARG 18 1HH2 ARG 18 -5.112 -5.404 5.097
137 HH12 ARG 18 2HH2 ARG 18 -6.268 -4.760 3.991
138 HH21 ARG 18 1HH1 ARG 18 -4.689 -6.029 1.160
139 HH22 ARG 18 2HH1 ARG 18 -6.031 -5.111 1.750
140 H ASP 19 H ASP 19 1.992 -5.353 4.331
141 HA ASP 19 HA ASP 19 2.859 -4.960 7.143
142 HB2 ASP 19 2HB ASP 19 2.991 -7.088 5.534
143 HB3 ASP 19 1HB ASP 19 4.493 -6.314 5.033
144 H HIS 20 H HIS 20 3.814 -4.018 3.850
145 HA HIS 20 HA HIS 20 6.202 -2.555 4.871
146 HB2 HIS 20 2HB HIS 20 5.143 -3.102 2.073
147 HB3 HIS 20 1HB HIS 20 6.716 -2.409 2.447
148 HD1 HIS 20 1HD HIS 20 4.741 -5.616 2.987
149 HD2 HIS 20 2HD HIS 20 8.683 -4.297 2.922
150 HE1 HIS 20 1HE HIS 20 6.190 -7.684 3.175
151 H SER 21 H SER 21 2.965 -1.704 4.480
152 HA SER 21 HA SER 21 3.719 1.133 3.938
153 HB2 SER 21 2HB SER 21 1.846 -0.672 2.418
154 HB3 SER 21 1HB SER 21 1.691 1.071 2.337
155 HG SER 21 HG SER 21 3.645 1.217 1.401
156 H ARG 22 H ARG 22 2.737 2.366 5.528
157 HA ARG 22 HA ARG 22 0.388 1.349 7.012
158 HB2 ARG 22 2HB ARG 22 1.908 3.994 7.021
159 HB3 ARG 22 1HB ARG 22 0.661 3.563 8.186
160 HG2 ARG 22 2HG ARG 22 3.301 2.137 7.759
161 HG3 ARG 22 1HG ARG 22 2.863 3.134 9.144
162 HD2 ARG 22 2HD ARG 22 2.069 1.258 10.141
163 HD3 ARG 22 1HD ARG 22 0.797 1.217 8.908
164 HE ARG 22 HE ARG 22 3.458 0.105 8.195
165 HH11 ARG 22 1HH2 ARG 22 0.098 -0.409 9.001
166 HH12 ARG 22 2HH2 ARG 22 0.085 -2.026 8.401
167 HH21 ARG 22 1HH1 ARG 22 3.408 -2.006 7.409
168 HH22 ARG 22 2HH1 ARG 22 1.935 -2.921 7.487
169 H CYS 23 H CYS 23 -0.451 1.298 4.526
170 HA CYS 23 HA CYS 23 -2.148 3.739 4.143
171 HB2 CYS 23 2HB CYS 23 0.173 3.345 2.834
172 HB3 CYS 23 1HB CYS 23 -0.879 2.394 1.800
173 H CYS 24 H CYS 24 -2.103 0.399 4.518
174 HA CYS 24 HA CYS 24 -4.821 0.029 3.627
175 HB2 CYS 24 2HB CYS 24 -2.804 -0.049 1.629
176 HB3 CYS 24 1HB CYS 24 -3.300 -1.717 1.894
177 HN1 NH2 25 2H CYS 24 -3.565 -2.362 6.183
178 HN2 NH2 25 1H CYS 24 -3.855 -0.696 6.072
Start of MODEL 11
1 H1 VAL 1 1HT VAL 1 9.878 -0.682 2.465
2 H2 VAL 1 2HT VAL 1 10.445 0.911 2.488
3 H3 VAL 1 3HT VAL 1 11.273 -0.267 1.595
4 HA VAL 1 HA VAL 1 9.739 1.363 0.341
5 HB VAL 1 HB VAL 1 9.103 -0.604 -1.159
6 HG11 VAL 1 2HG1 VAL 1 11.908 -1.163 -0.484
7 HG12 VAL 1 3HG1 VAL 1 11.550 0.557 -0.650
8 HG13 VAL 1 1HG1 VAL 1 11.211 -0.546 -1.982
9 HG21 VAL 1 1HG2 VAL 1 9.305 -2.770 -0.452
10 HG22 VAL 1 2HG2 VAL 1 9.160 -2.071 1.160
11 HG23 VAL 1 3HG2 VAL 1 10.752 -2.427 0.497
12 H GLY 2 H GLY 2 7.444 1.207 -0.588
13 HA2 GLY 2 2HA GLY 2 5.288 -0.182 0.345
14 HA3 GLY 2 1HA GLY 2 5.562 0.948 1.650
15 H GLU 3 H GLU 3 6.541 3.032 -0.314
16 HA GLU 3 HA GLU 3 4.347 4.660 -0.605
17 HB2 GLU 3 2HB GLU 3 5.630 5.746 -2.418
18 HB3 GLU 3 1HB GLU 3 6.679 5.270 -1.085
19 HG2 GLU 3 2HG GLU 3 7.383 3.278 -2.285
20 HG3 GLU 3 1HG GLU 3 6.250 3.622 -3.588
21 H ARG 4 H ARG 4 5.206 2.046 -2.842
22 HA ARG 4 HA ARG 4 3.441 2.655 -4.965
23 HB2 ARG 4 2HB ARG 4 4.369 0.731 -5.732
24 HB3 ARG 4 1HB ARG 4 5.227 0.636 -4.199
25 HG2 ARG 4 2HG ARG 4 3.941 -1.069 -3.443
26 HG3 ARG 4 1HG ARG 4 2.461 -0.386 -4.104
27 HD2 ARG 4 2HD ARG 4 2.770 -1.401 -6.189
28 HD3 ARG 4 1HD ARG 4 4.529 -1.484 -5.996
29 HE ARG 4 HE ARG 4 4.251 -3.353 -4.462
30 HH11 ARG 4 1HH2 ARG 4 1.267 -2.191 -5.843
31 HH12 ARG 4 2HH2 ARG 4 0.410 -3.657 -5.532
32 HH21 ARG 4 1HH1 ARG 4 3.118 -5.266 -4.068
33 HH22 ARG 4 2HH1 ARG 4 1.455 -5.395 -4.531
34 H CYS 5 H CYS 5 2.796 1.415 -1.768
35 HA CYS 5 HA CYS 5 0.265 0.192 -2.153
36 HB2 CYS 5 2HB CYS 5 1.605 0.075 -0.103
37 HB3 CYS 5 1HB CYS 5 1.388 1.807 0.160
38 H CYS 6 H CYS 6 0.989 3.573 -1.189
39 HA CYS 6 HA CYS 6 -1.800 4.403 -1.509
40 HB2 CYS 6 2HB CYS 6 0.520 6.313 -1.463
41 HB3 CYS 6 1HB CYS 6 -1.036 6.432 -0.652
42 H LYS 7 H LYS 7 1.153 4.501 -3.480
43 HA LYS 7 HA LYS 7 0.281 6.304 -5.519
44 HB2 LYS 7 2HB LYS 7 2.298 4.167 -5.141
45 HB3 LYS 7 1HB LYS 7 1.864 4.490 -6.818
46 HG2 LYS 7 2HG LYS 7 2.954 6.473 -6.831
47 HG3 LYS 7 1HG LYS 7 2.263 6.955 -5.281
48 HD2 LYS 7 2HD LYS 7 4.584 6.780 -4.839
49 HD3 LYS 7 1HD LYS 7 3.915 5.263 -4.238
50 HE2 LYS 7 2HE LYS 7 5.306 4.139 -5.615
51 HE3 LYS 7 1HE LYS 7 4.481 4.879 -7.003
52 HZ1 LYS 7 3HZ LYS 7 6.768 5.519 -7.077
53 HZ2 LYS 7 1HZ LYS 7 6.762 6.007 -5.454
54 HZ3 LYS 7 2HZ LYS 7 5.879 6.887 -6.616
55 H ASN 8 H ASN 8 -0.243 2.841 -5.077
56 HA ASN 8 HA ASN 8 -1.818 2.688 -7.597
57 HB2 ASN 8 2HB ASN 8 -0.289 0.898 -5.816
58 HB3 ASN 8 1HB ASN 8 -1.729 0.182 -6.509
59 HD21 ASN 8 1HD2 ASN 8 1.503 0.939 -7.130
60 HD22 ASN 8 2HD2 ASN 8 1.480 0.669 -8.799
61 H GLY 9 H GLY 9 -2.358 3.002 -4.201
62 HA2 GLY 9 2HA GLY 9 -4.305 2.883 -2.907
63 HA3 GLY 9 1HA GLY 9 -5.175 3.191 -4.405
64 H LYS 10 H LYS 10 -6.505 1.570 -5.088
65 HA LYS 10 HA LYS 10 -6.971 -0.839 -3.699
66 HB2 LYS 10 2HB LYS 10 -7.468 0.179 -6.483
67 HB3 LYS 10 1HB LYS 10 -7.925 -1.474 -6.073
68 HG2 LYS 10 2HG LYS 10 -8.811 0.148 -3.923
69 HG3 LYS 10 1HG LYS 10 -9.272 0.987 -5.402
70 HD2 LYS 10 2HD LYS 10 -10.801 -0.583 -5.969
71 HD3 LYS 10 1HD LYS 10 -9.747 -1.911 -5.500
72 HE2 LYS 10 2HE LYS 10 -11.155 -2.193 -3.725
73 HE3 LYS 10 1HE LYS 10 -10.412 -0.726 -3.057
74 HZ1 LYS 10 3HZ LYS 10 -12.687 -0.721 -4.975
75 HZ2 LYS 10 1HZ LYS 10 -12.041 0.621 -4.170
76 HZ3 LYS 10 2HZ LYS 10 -12.866 -0.576 -3.294
77 H ARG 11 H ARG 11 -4.616 -0.152 -6.254
78 HA ARG 11 HA ARG 11 -3.884 -2.987 -6.593
79 HB2 ARG 11 2HB ARG 11 -2.820 -0.348 -7.646
80 HB3 ARG 11 1HB ARG 11 -2.070 -1.890 -8.040
81 HG2 ARG 11 2HG ARG 11 -4.622 -2.513 -8.627
82 HG3 ARG 11 1HG ARG 11 -4.684 -0.775 -8.921
83 HD2 ARG 11 2HD ARG 11 -3.836 -1.295 -10.984
84 HD3 ARG 11 1HD ARG 11 -2.295 -1.481 -10.133
85 HE ARG 11 HE ARG 11 -2.771 -3.895 -9.893
86 HH11 ARG 11 1HH2 ARG 11 -4.841 -2.116 -12.069
87 HH12 ARG 11 2HH2 ARG 11 -5.385 -3.523 -12.900
88 HH21 ARG 11 1HH1 ARG 11 -3.462 -5.721 -10.989
89 HH22 ARG 11 2HH1 ARG 11 -4.591 -5.585 -12.296
90 H GLY 12 H GLY 12 -2.988 -0.356 -4.581
91 HA2 GLY 12 2HA GLY 12 -0.362 -1.471 -3.869
92 HA3 GLY 12 1HA GLY 12 -1.099 -0.024 -3.178
93 H CYS 13 H CYS 13 -3.654 -1.404 -2.634
94 HA CYS 13 HA CYS 13 -3.163 -2.327 0.036
95 HB2 CYS 13 2HB CYS 13 -5.383 -2.098 -1.902
96 HB3 CYS 13 1HB CYS 13 -5.608 -3.357 -0.692
97 H GLY 14 H GLY 14 -2.286 -4.257 0.630
98 HA2 GLY 14 2HA GLY 14 -3.125 -6.801 -0.144
99 HA3 GLY 14 1HA GLY 14 -1.818 -6.389 -1.254
100 H ARG 15 H ARG 15 -1.421 -8.505 0.441
101 HA ARG 15 HA ARG 15 -0.399 -8.194 3.001
102 HB2 ARG 15 2HB ARG 15 1.239 -10.033 2.284
103 HB3 ARG 15 1HB ARG 15 -0.468 -10.359 2.028
104 HG2 ARG 15 2HG ARG 15 0.200 -9.160 -0.341
105 HG3 ARG 15 1HG ARG 15 1.698 -9.995 0.061
106 HD2 ARG 15 2HD ARG 15 -1.067 -11.240 -0.148
107 HD3 ARG 15 1HD ARG 15 0.311 -11.544 -1.211
108 HE ARG 15 HE ARG 15 0.152 -12.363 1.668
109 HH11 ARG 15 1HH2 ARG 15 1.673 -12.516 -1.467
110 HH12 ARG 15 2HH2 ARG 15 2.688 -13.839 -1.040
111 HH21 ARG 15 1HH1 ARG 15 1.492 -14.095 2.214
112 HH22 ARG 15 2HH1 ARG 15 2.593 -14.738 1.041
113 H TRP 16 H TRP 16 1.278 -7.396 -0.035
114 HA TRP 16 HA TRP 16 3.847 -6.721 0.997
115 HB2 TRP 16 2HB TRP 16 3.043 -6.860 -1.410
116 HB3 TRP 16 1HB TRP 16 2.277 -5.289 -1.167
117 HD1 TRP 16 HD TRP 16 5.699 -6.969 -1.324
118 HE1 TRP 16 1HE TRP 16 7.484 -5.180 -1.706
119 HE3 TRP 16 3HE TRP 16 2.833 -2.750 -0.906
120 HZ2 TRP 16 2HZ TRP 16 7.693 -2.334 -1.851
121 HZ3 TRP 16 3HZ TRP 16 3.853 -0.516 -1.185
122 HH2 TRP 16 HH TRP 16 6.281 -0.306 -1.654
123 H CYS 17 H CYS 17 1.177 -4.415 0.272
124 HA CYS 17 HA CYS 17 2.345 -2.229 1.678
125 HB2 CYS 17 2HB CYS 17 0.487 -2.015 0.099
126 HB3 CYS 17 1HB CYS 17 -0.552 -2.945 1.164
127 H ARG 18 H ARG 18 0.058 -4.744 2.785
128 HA ARG 18 HA ARG 18 -0.456 -3.826 5.396
129 HB2 ARG 18 2HB ARG 18 -0.919 -6.067 3.865
130 HB3 ARG 18 1HB ARG 18 0.134 -6.703 5.129
131 HG2 ARG 18 2HG ARG 18 -1.374 -5.580 6.818
132 HG3 ARG 18 1HG ARG 18 -2.490 -5.233 5.494
133 HD2 ARG 18 2HD ARG 18 -1.481 -8.033 6.066
134 HD3 ARG 18 1HD ARG 18 -2.968 -7.382 6.785
135 HE ARG 18 HE ARG 18 -2.656 -7.141 3.842
136 HH11 ARG 18 1HH2 ARG 18 -4.146 -8.714 6.571
137 HH12 ARG 18 2HH2 ARG 18 -5.451 -9.360 5.639
138 HH21 ARG 18 1HH1 ARG 18 -4.369 -7.977 2.639
139 HH22 ARG 18 2HH1 ARG 18 -5.572 -8.951 3.412
140 H ASP 19 H ASP 19 2.401 -5.589 4.186
141 HA ASP 19 HA ASP 19 3.637 -5.528 6.890
142 HB2 ASP 19 2HB ASP 19 3.565 -7.471 5.145
143 HB3 ASP 19 1HB ASP 19 4.860 -6.576 4.344
144 H HIS 20 H HIS 20 3.895 -3.898 3.786
145 HA HIS 20 HA HIS 20 6.489 -2.649 4.605
146 HB2 HIS 20 2HB HIS 20 5.033 -2.785 1.946
147 HB3 HIS 20 1HB HIS 20 6.636 -2.107 2.193
148 HD1 HIS 20 1HD HIS 20 4.821 -5.423 2.642
149 HD2 HIS 20 2HD HIS 20 8.647 -3.977 1.926
150 HE1 HIS 20 1HE HIS 20 6.283 -7.446 2.209
151 H SER 21 H SER 21 3.098 -1.801 4.257
152 HA SER 21 HA SER 21 3.856 1.055 4.679
153 HB2 SER 21 2HB SER 21 2.957 -0.201 2.228
154 HB3 SER 21 1HB SER 21 1.820 1.041 2.731
155 HG SER 21 HG SER 21 3.660 2.449 2.942
156 H ARG 22 H ARG 22 2.586 1.822 6.318
157 HA ARG 22 HA ARG 22 0.004 0.548 7.001
158 HB2 ARG 22 2HB ARG 22 1.602 2.892 8.100
159 HB3 ARG 22 1HB ARG 22 0.074 2.350 8.791
160 HG2 ARG 22 2HG ARG 22 1.089 0.056 9.052
161 HG3 ARG 22 1HG ARG 22 2.640 0.752 8.576
162 HD2 ARG 22 2HD ARG 22 2.280 2.462 10.460
163 HD3 ARG 22 1HD ARG 22 0.992 1.381 11.035
164 HE ARG 22 HE ARG 22 3.066 -0.370 10.618
165 HH11 ARG 22 1HH2 ARG 22 2.777 2.651 12.314
166 HH12 ARG 22 2HH2 ARG 22 4.016 2.272 13.458
167 HH21 ARG 22 1HH1 ARG 22 4.688 -0.874 12.123
168 HH22 ARG 22 2HH1 ARG 22 5.108 0.275 13.349
169 H CYS 23 H CYS 23 -0.333 1.350 4.500
170 HA CYS 23 HA CYS 23 -1.941 3.876 4.633
171 HB2 CYS 23 2HB CYS 23 0.227 4.443 3.732
172 HB3 CYS 23 1HB CYS 23 0.248 3.016 2.712
173 H CYS 24 H CYS 24 -3.046 1.299 4.816
174 HA CYS 24 HA CYS 24 -4.844 1.239 2.523
175 HB2 CYS 24 2HB CYS 24 -2.352 -0.153 2.410
176 HB3 CYS 24 1HB CYS 24 -3.624 -1.361 2.546
177 HN1 NH2 25 2H CYS 24 -6.696 -1.256 4.400
178 HN2 NH2 25 1H CYS 24 -6.426 -0.692 2.821
Start of MODEL 12
1 H1 VAL 1 1HT VAL 1 10.806 2.362 1.505
2 H2 VAL 1 2HT VAL 1 11.281 0.861 2.127
3 H3 VAL 1 3HT VAL 1 9.923 1.646 2.763
4 HA VAL 1 HA VAL 1 9.665 1.277 -0.050
5 HB VAL 1 HB VAL 1 11.204 -0.627 0.554
6 HG11 VAL 1 2HG1 VAL 1 10.052 -0.768 2.927
7 HG12 VAL 1 3HG1 VAL 1 10.651 -2.236 2.165
8 HG13 VAL 1 1HG1 VAL 1 8.929 -1.843 2.110
9 HG21 VAL 1 1HG2 VAL 1 10.015 -2.236 -0.685
10 HG22 VAL 1 2HG2 VAL 1 9.260 -0.729 -1.185
11 HG23 VAL 1 3HG2 VAL 1 8.460 -1.757 0.002
12 H GLY 2 H GLY 2 7.446 0.858 -0.474
13 HA2 GLY 2 2HA GLY 2 5.335 -0.136 0.620
14 HA3 GLY 2 1HA GLY 2 5.673 0.981 1.921
15 H GLU 3 H GLU 3 6.668 3.012 -0.110
16 HA GLU 3 HA GLU 3 4.443 4.665 -0.373
17 HB2 GLU 3 2HB GLU 3 5.814 5.661 -2.298
18 HB3 GLU 3 1HB GLU 3 6.657 5.488 -0.761
19 HG2 GLU 3 2HG GLU 3 7.711 3.417 -1.529
20 HG3 GLU 3 1HG GLU 3 6.813 3.488 -3.043
21 H ARG 4 H ARG 4 5.471 2.080 -2.553
22 HA ARG 4 HA ARG 4 3.853 2.586 -4.798
23 HB2 ARG 4 2HB ARG 4 4.721 0.588 -5.428
24 HB3 ARG 4 1HB ARG 4 5.577 0.616 -3.892
25 HG2 ARG 4 2HG ARG 4 4.529 -1.414 -3.684
26 HG3 ARG 4 1HG ARG 4 3.266 -0.394 -3.010
27 HD2 ARG 4 2HD ARG 4 1.844 -0.980 -4.676
28 HD3 ARG 4 1HD ARG 4 3.026 -0.502 -5.910
29 HE ARG 4 HE ARG 4 4.096 -2.850 -5.018
30 HH11 ARG 4 1HH2 ARG 4 0.881 -1.931 -6.010
31 HH12 ARG 4 2HH2 ARG 4 0.463 -3.512 -6.563
32 HH21 ARG 4 1HH1 ARG 4 3.537 -4.913 -5.728
33 HH22 ARG 4 2HH1 ARG 4 1.972 -5.206 -6.405
34 H CYS 5 H CYS 5 2.880 1.531 -1.593
35 HA CYS 5 HA CYS 5 0.391 0.287 -2.241
36 HB2 CYS 5 2HB CYS 5 1.562 0.248 -0.033
37 HB3 CYS 5 1HB CYS 5 1.131 1.944 0.193
38 H CYS 6 H CYS 6 0.920 3.696 -1.102
39 HA CYS 6 HA CYS 6 -1.761 4.525 -1.742
40 HB2 CYS 6 2HB CYS 6 0.630 6.369 -1.808
41 HB3 CYS 6 1HB CYS 6 -1.001 6.701 -1.247
42 H LYS 7 H LYS 7 1.298 4.585 -3.557
43 HA LYS 7 HA LYS 7 0.583 6.020 -5.859
44 HB2 LYS 7 2HB LYS 7 2.423 3.829 -5.089
45 HB3 LYS 7 1HB LYS 7 2.107 3.964 -6.819
46 HG2 LYS 7 2HG LYS 7 2.709 6.483 -5.337
47 HG3 LYS 7 1HG LYS 7 4.048 5.374 -5.613
48 HD2 LYS 7 2HD LYS 7 2.202 6.479 -7.750
49 HD3 LYS 7 1HD LYS 7 3.850 7.020 -7.450
50 HE2 LYS 7 2HE LYS 7 2.980 4.272 -8.417
51 HE3 LYS 7 1HE LYS 7 3.936 5.470 -9.306
52 HZ1 LYS 7 3HZ LYS 7 5.442 5.332 -7.200
53 HZ2 LYS 7 1HZ LYS 7 5.579 4.154 -8.415
54 HZ3 LYS 7 2HZ LYS 7 4.714 3.814 -7.001
55 H ASN 8 H ASN 8 -0.251 2.707 -4.960
56 HA ASN 8 HA ASN 8 -1.660 2.299 -7.555
57 HB2 ASN 8 2HB ASN 8 -0.323 0.676 -5.493
58 HB3 ASN 8 1HB ASN 8 -1.772 -0.050 -6.161
59 HD21 ASN 8 1HD2 ASN 8 1.509 0.577 -6.727
60 HD22 ASN 8 2HD2 ASN 8 1.555 0.067 -8.337
61 H GLY 9 H GLY 9 -2.389 3.091 -4.282
62 HA2 GLY 9 2HA GLY 9 -4.427 3.235 -3.120
63 HA3 GLY 9 1HA GLY 9 -5.174 3.335 -4.715
64 H LYS 10 H LYS 10 -6.565 1.702 -5.184
65 HA LYS 10 HA LYS 10 -7.086 -0.520 -3.490
66 HB2 LYS 10 2HB LYS 10 -7.557 -0.002 -6.442
67 HB3 LYS 10 1HB LYS 10 -8.244 -1.389 -5.598
68 HG2 LYS 10 2HG LYS 10 -8.897 0.716 -3.927
69 HG3 LYS 10 1HG LYS 10 -9.050 1.432 -5.532
70 HD2 LYS 10 2HD LYS 10 -10.294 -0.886 -6.033
71 HD3 LYS 10 1HD LYS 10 -10.613 -0.798 -4.300
72 HE2 LYS 10 2HE LYS 10 -11.204 1.484 -6.228
73 HE3 LYS 10 1HE LYS 10 -12.416 0.302 -5.698
74 HZ1 LYS 10 3HZ LYS 10 -11.912 0.877 -3.402
75 HZ2 LYS 10 1HZ LYS 10 -12.428 2.239 -4.259
76 HZ3 LYS 10 2HZ LYS 10 -10.781 2.031 -3.918
77 H ARG 11 H ARG 11 -4.781 -0.116 -6.129
78 HA ARG 11 HA ARG 11 -4.106 -2.963 -6.287
79 HB2 ARG 11 2HB ARG 11 -2.882 -0.414 -7.376
80 HB3 ARG 11 1HB ARG 11 -2.260 -2.014 -7.752
81 HG2 ARG 11 2HG ARG 11 -4.653 -2.587 -8.490
82 HG3 ARG 11 1HG ARG 11 -4.960 -0.852 -8.436
83 HD2 ARG 11 2HD ARG 11 -4.296 -1.418 -10.713
84 HD3 ARG 11 1HD ARG 11 -2.961 -0.532 -9.951
85 HE ARG 11 HE ARG 11 -2.795 -3.430 -9.577
86 HH11 ARG 11 1HH2 ARG 11 -2.042 -0.719 -11.653
87 HH12 ARG 11 2HH2 ARG 11 -0.695 -1.511 -12.394
88 HH21 ARG 11 1HH1 ARG 11 -1.011 -4.422 -10.521
89 HH22 ARG 11 2HH1 ARG 11 -0.111 -3.597 -11.748
90 H GLY 12 H GLY 12 -3.313 -0.421 -4.180
91 HA2 GLY 12 2HA GLY 12 -0.631 -1.391 -3.485
92 HA3 GLY 12 1HA GLY 12 -1.497 -0.068 -2.697
93 H CYS 13 H CYS 13 -3.895 -1.341 -2.041
94 HA CYS 13 HA CYS 13 -3.386 -2.584 0.426
95 HB2 CYS 13 2HB CYS 13 -5.637 -2.399 -1.526
96 HB3 CYS 13 1HB CYS 13 -5.799 -3.591 -0.236
97 H GLY 14 H GLY 14 -2.366 -4.487 0.807
98 HA2 GLY 14 2HA GLY 14 -3.122 -7.010 -0.082
99 HA3 GLY 14 1HA GLY 14 -1.896 -6.469 -1.235
100 H ARG 15 H ARG 15 -1.263 -8.636 0.326
101 HA ARG 15 HA ARG 15 -0.144 -8.363 2.848
102 HB2 ARG 15 2HB ARG 15 1.543 -10.081 2.001
103 HB3 ARG 15 1HB ARG 15 -0.147 -10.485 1.731
104 HG2 ARG 15 2HG ARG 15 0.358 -10.756 -0.458
105 HG3 ARG 15 1HG ARG 15 0.624 -9.020 -0.550
106 HD2 ARG 15 2HD ARG 15 2.597 -10.423 -1.336
107 HD3 ARG 15 1HD ARG 15 2.988 -9.295 -0.022
108 HE ARG 15 HE ARG 15 2.178 -12.097 0.645
109 HH11 ARG 15 1HH2 ARG 15 4.572 -9.553 0.627
110 HH12 ARG 15 2HH2 ARG 15 5.565 -10.316 1.817
111 HH21 ARG 15 1HH1 ARG 15 3.465 -13.069 2.203
112 HH22 ARG 15 2HH1 ARG 15 4.930 -12.313 2.724
113 H TRP 16 H TRP 16 1.412 -7.396 -0.237
114 HA TRP 16 HA TRP 16 3.953 -6.594 0.766
115 HB2 TRP 16 2HB TRP 16 3.090 -6.744 -1.634
116 HB3 TRP 16 1HB TRP 16 2.302 -5.186 -1.358
117 HD1 TRP 16 HD TRP 16 5.706 -6.807 -1.776
118 HE1 TRP 16 1HE TRP 16 7.474 -4.988 -2.080
119 HE3 TRP 16 3HE TRP 16 2.894 -2.663 -0.759
120 HZ2 TRP 16 2HZ TRP 16 7.679 -2.120 -1.932
121 HZ3 TRP 16 3HZ TRP 16 3.900 -0.418 -0.855
122 HH2 TRP 16 HH TRP 16 6.282 -0.144 -1.448
123 H CYS 17 H CYS 17 1.135 -4.452 0.122
124 HA CYS 17 HA CYS 17 2.188 -2.207 1.566
125 HB2 CYS 17 2HB CYS 17 0.391 -2.074 -0.097
126 HB3 CYS 17 1HB CYS 17 -0.651 -3.057 0.915
127 H ARG 18 H ARG 18 -0.028 -4.829 2.537
128 HA ARG 18 HA ARG 18 -0.639 -3.979 5.167
129 HB2 ARG 18 2HB ARG 18 -0.569 -6.451 3.574
130 HB3 ARG 18 1HB ARG 18 -0.339 -6.733 5.300
131 HG2 ARG 18 2HG ARG 18 -2.379 -5.303 5.723
132 HG3 ARG 18 1HG ARG 18 -2.653 -5.290 3.978
133 HD2 ARG 18 2HD ARG 18 -3.919 -7.099 5.285
134 HD3 ARG 18 1HD ARG 18 -2.940 -7.684 3.929
135 HE ARG 18 HE ARG 18 -1.747 -7.577 6.668
136 HH11 ARG 18 1HH2 ARG 18 -2.806 -9.410 3.892
137 HH12 ARG 18 2HH2 ARG 18 -1.940 -10.833 4.351
138 HH21 ARG 18 1HH1 ARG 18 -0.639 -9.438 7.268
139 HH22 ARG 18 2HH1 ARG 18 -0.708 -10.850 6.273
140 H ASP 19 H ASP 19 2.240 -5.695 3.958
141 HA ASP 19 HA ASP 19 3.420 -5.824 6.687
142 HB2 ASP 19 2HB ASP 19 3.426 -7.411 4.390
143 HB3 ASP 19 1HB ASP 19 5.044 -6.716 4.427
144 H HIS 20 H HIS 20 3.926 -4.122 3.613
145 HA HIS 20 HA HIS 20 6.397 -2.824 4.711
146 HB2 HIS 20 2HB HIS 20 5.206 -2.912 1.917
147 HB3 HIS 20 1HB HIS 20 6.784 -2.264 2.334
148 HD1 HIS 20 1HD HIS 20 4.888 -5.570 2.496
149 HD2 HIS 20 2HD HIS 20 8.793 -4.162 2.229
150 HE1 HIS 20 1HE HIS 20 6.359 -7.597 2.111
151 H SER 21 H SER 21 3.050 -2.127 4.150
152 HA SER 21 HA SER 21 3.658 0.812 4.186
153 HB2 SER 21 2HB SER 21 1.601 -0.801 2.680
154 HB3 SER 21 1HB SER 21 1.644 0.951 2.693
155 HG SER 21 HG SER 21 3.296 0.915 1.381
156 H ARG 22 H ARG 22 1.953 2.147 4.989
157 HA ARG 22 HA ARG 22 0.124 0.865 6.988
158 HB2 ARG 22 2HB ARG 22 2.122 2.596 7.483
159 HB3 ARG 22 1HB ARG 22 0.886 3.768 7.028
160 HG2 ARG 22 2HG ARG 22 -0.392 1.928 8.759
161 HG3 ARG 22 1HG ARG 22 1.164 2.304 9.510
162 HD2 ARG 22 2HD ARG 22 -0.861 4.362 8.535
163 HD3 ARG 22 1HD ARG 22 -0.539 3.938 10.231
164 HE ARG 22 HE ARG 22 1.982 4.512 9.285
165 HH11 ARG 22 1HH2 ARG 22 -1.069 6.167 9.194
166 HH12 ARG 22 2HH2 ARG 22 -0.362 7.741 9.158
167 HH21 ARG 22 1HH1 ARG 22 2.916 6.566 9.271
168 HH22 ARG 22 2HH1 ARG 22 1.909 7.973 9.210
169 H CYS 23 H CYS 23 0.409 2.690 4.090
170 HA CYS 23 HA CYS 23 -1.761 4.420 3.956
171 HB2 CYS 23 2HB CYS 23 0.180 3.525 2.315
172 HB3 CYS 23 1HB CYS 23 -1.168 2.612 1.652
173 H CYS 24 H CYS 24 -1.802 0.884 3.241
174 HA CYS 24 HA CYS 24 -4.712 0.902 2.807
175 HB2 CYS 24 2HB CYS 24 -3.124 -0.573 1.563
176 HB3 CYS 24 1HB CYS 24 -2.708 -1.372 3.071
177 HN1 NH2 25 2H CYS 24 -5.822 -0.123 6.007
178 HN2 NH2 25 1H CYS 24 -6.240 0.377 4.443
Start of MODEL 13
1 H1 VAL 1 1HT VAL 1 10.216 1.731 2.126
2 H2 VAL 1 2HT VAL 1 9.953 2.327 0.560
3 H3 VAL 1 3HT VAL 1 11.405 1.538 0.941
4 HA VAL 1 HA VAL 1 9.853 0.141 -0.342
5 HB VAL 1 HB VAL 1 11.625 -0.809 1.020
6 HG11 VAL 1 2HG1 VAL 1 9.733 -0.320 3.328
7 HG12 VAL 1 3HG1 VAL 1 11.393 0.231 3.135
8 HG13 VAL 1 1HG1 VAL 1 11.061 -1.472 3.433
9 HG21 VAL 1 1HG2 VAL 1 9.850 -2.319 0.089
10 HG22 VAL 1 2HG2 VAL 1 9.044 -2.265 1.659
11 HG23 VAL 1 3HG2 VAL 1 10.654 -2.974 1.516
12 H GLY 2 H GLY 2 7.686 0.489 -0.711
13 HA2 GLY 2 2HA GLY 2 5.541 -0.630 0.350
14 HA3 GLY 2 1HA GLY 2 5.815 0.578 1.600
15 H GLU 3 H GLU 3 6.869 2.463 -0.483
16 HA GLU 3 HA GLU 3 4.917 4.262 -0.915
17 HB2 GLU 3 2HB GLU 3 6.146 4.586 -3.220
18 HB3 GLU 3 1HB GLU 3 7.010 4.826 -1.704
19 HG2 GLU 3 2HG GLU 3 7.107 2.033 -2.399
20 HG3 GLU 3 1HG GLU 3 7.631 2.987 -3.770
21 H ARG 4 H ARG 4 5.388 1.525 -3.134
22 HA ARG 4 HA ARG 4 3.476 2.136 -5.070
23 HB2 ARG 4 2HB ARG 4 3.997 0.055 -5.811
24 HB3 ARG 4 1HB ARG 4 5.152 0.051 -4.488
25 HG2 ARG 4 2HG ARG 4 4.047 -1.901 -3.992
26 HG3 ARG 4 1HG ARG 4 2.991 -0.788 -3.127
27 HD2 ARG 4 2HD ARG 4 1.516 -2.114 -4.455
28 HD3 ARG 4 1HD ARG 4 1.696 -0.604 -5.368
29 HE ARG 4 HE ARG 4 3.792 -2.136 -6.286
30 HH11 ARG 4 1HH2 ARG 4 0.350 -2.636 -5.995
31 HH12 ARG 4 2HH2 ARG 4 0.283 -3.741 -7.318
32 HH21 ARG 4 1HH1 ARG 4 3.682 -3.586 -8.006
33 HH22 ARG 4 2HH1 ARG 4 2.161 -4.281 -8.452
34 H CYS 5 H CYS 5 2.830 1.078 -1.758
35 HA CYS 5 HA CYS 5 0.175 0.089 -2.169
36 HB2 CYS 5 2HB CYS 5 1.495 -0.243 -0.120
37 HB3 CYS 5 1HB CYS 5 1.400 1.483 0.226
38 H CYS 6 H CYS 6 0.962 3.309 -0.709
39 HA CYS 6 HA CYS 6 -1.677 4.348 -1.164
40 HB2 CYS 6 2HB CYS 6 0.831 6.041 -1.070
41 HB3 CYS 6 1HB CYS 6 -0.775 6.418 -0.450
42 H LYS 7 H LYS 7 1.299 4.475 -3.112
43 HA LYS 7 HA LYS 7 0.495 6.307 -5.102
44 HB2 LYS 7 2HB LYS 7 2.375 4.001 -4.873
45 HB3 LYS 7 1HB LYS 7 2.073 4.641 -6.486
46 HG2 LYS 7 2HG LYS 7 2.987 6.272 -4.093
47 HG3 LYS 7 1HG LYS 7 4.016 5.749 -5.424
48 HD2 LYS 7 2HD LYS 7 1.667 7.659 -5.571
49 HD3 LYS 7 1HD LYS 7 3.363 8.038 -5.841
50 HE2 LYS 7 2HE LYS 7 2.983 7.650 -8.046
51 HE3 LYS 7 1HE LYS 7 2.825 5.933 -7.634
52 HZ1 LYS 7 3HZ LYS 7 0.834 7.323 -8.687
53 HZ2 LYS 7 1HZ LYS 7 0.527 7.646 -7.057
54 HZ3 LYS 7 2HZ LYS 7 0.574 6.039 -7.610
55 H ASN 8 H ASN 8 -0.444 2.961 -4.664
56 HA ASN 8 HA ASN 8 -1.894 3.050 -7.286
57 HB2 ASN 8 2HB ASN 8 -0.373 1.036 -5.750
58 HB3 ASN 8 1HB ASN 8 -1.829 0.435 -6.516
59 HD21 ASN 8 1HD2 ASN 8 1.417 0.966 -7.079
60 HD22 ASN 8 2HD2 ASN 8 1.370 1.030 -8.769
61 H GLY 9 H GLY 9 -2.431 3.147 -3.904
62 HA2 GLY 9 2HA GLY 9 -4.359 2.845 -2.592
63 HA3 GLY 9 1HA GLY 9 -5.223 3.356 -4.039
64 H LYS 10 H LYS 10 -6.499 1.860 -5.032
65 HA LYS 10 HA LYS 10 -7.104 -0.678 -3.908
66 HB2 LYS 10 2HB LYS 10 -7.411 0.365 -6.748
67 HB3 LYS 10 1HB LYS 10 -8.265 -1.034 -6.090
68 HG2 LYS 10 2HG LYS 10 -8.480 1.377 -4.408
69 HG3 LYS 10 1HG LYS 10 -9.199 1.563 -6.010
70 HD2 LYS 10 2HD LYS 10 -10.391 -0.639 -5.617
71 HD3 LYS 10 1HD LYS 10 -9.838 -0.561 -3.943
72 HE2 LYS 10 2HE LYS 10 -11.506 1.588 -5.319
73 HE3 LYS 10 1HE LYS 10 -12.141 0.370 -4.196
74 HZ1 LYS 10 3HZ LYS 10 -10.139 2.491 -3.632
75 HZ2 LYS 10 1HZ LYS 10 -10.369 1.165 -2.600
76 HZ3 LYS 10 2HZ LYS 10 -11.638 2.249 -2.876
77 H ARG 11 H ARG 11 -4.687 0.259 -6.292
78 HA ARG 11 HA ARG 11 -3.970 -2.550 -6.912
79 HB2 ARG 11 2HB ARG 11 -2.981 0.188 -7.747
80 HB3 ARG 11 1HB ARG 11 -2.206 -1.294 -8.289
81 HG2 ARG 11 2HG ARG 11 -4.445 -2.049 -9.170
82 HG3 ARG 11 1HG ARG 11 -5.072 -0.451 -8.768
83 HD2 ARG 11 2HD ARG 11 -4.182 0.442 -10.653
84 HD3 ARG 11 1HD ARG 11 -2.582 -0.222 -10.272
85 HE ARG 11 HE ARG 11 -4.504 -2.227 -11.210
86 HH11 ARG 11 1HH2 ARG 11 -2.081 0.132 -12.055
87 HH12 ARG 11 2HH2 ARG 11 -1.714 -0.609 -13.575
88 HH21 ARG 11 1HH1 ARG 11 -4.027 -3.186 -13.185
89 HH22 ARG 11 2HH1 ARG 11 -2.821 -2.499 -14.216
90 H GLY 12 H GLY 12 -3.280 -0.340 -4.477
91 HA2 GLY 12 2HA GLY 12 -0.513 -1.319 -4.046
92 HA3 GLY 12 1HA GLY 12 -1.259 0.056 -3.228
93 H CYS 13 H CYS 13 -3.762 -1.380 -2.633
94 HA CYS 13 HA CYS 13 -3.175 -2.399 -0.060
95 HB2 CYS 13 2HB CYS 13 -5.400 -1.779 -1.491
96 HB3 CYS 13 1HB CYS 13 -5.490 -3.539 -1.535
97 H GLY 14 H GLY 14 -2.518 -4.388 0.670
98 HA2 GLY 14 2HA GLY 14 -2.969 -6.925 -0.303
99 HA3 GLY 14 1HA GLY 14 -1.598 -6.372 -1.263
100 H ARG 15 H ARG 15 -1.094 -8.497 0.341
101 HA ARG 15 HA ARG 15 -0.378 -8.179 3.035
102 HB2 ARG 15 2HB ARG 15 -0.350 -10.248 1.599
103 HB3 ARG 15 1HB ARG 15 1.148 -9.668 0.869
104 HG2 ARG 15 2HG ARG 15 2.365 -10.384 2.610
105 HG3 ARG 15 1HG ARG 15 1.312 -9.564 3.759
106 HD2 ARG 15 2HD ARG 15 -0.141 -11.820 2.752
107 HD3 ARG 15 1HD ARG 15 1.469 -12.384 3.218
108 HE ARG 15 HE ARG 15 1.062 -11.665 5.470
109 HH11 ARG 15 1HH2 ARG 15 -1.522 -10.789 3.288
110 HH12 ARG 15 2HH2 ARG 15 -2.634 -10.410 4.557
111 HH21 ARG 15 1HH1 ARG 15 -0.397 -11.168 7.122
112 HH22 ARG 15 2HH1 ARG 15 -1.998 -10.631 6.737
113 H TRP 16 H TRP 16 1.781 -7.666 0.213
114 HA TRP 16 HA TRP 16 4.099 -6.752 1.518
115 HB2 TRP 16 2HB TRP 16 3.624 -7.193 -0.939
116 HB3 TRP 16 1HB TRP 16 2.876 -5.597 -1.000
117 HD1 TRP 16 HD TRP 16 6.230 -7.298 -0.320
118 HE1 TRP 16 1HE TRP 16 8.116 -5.629 -0.757
119 HE3 TRP 16 3HE TRP 16 3.473 -3.094 -1.223
120 HZ2 TRP 16 2HZ TRP 16 8.434 -2.843 -1.411
121 HZ3 TRP 16 3HZ TRP 16 4.600 -0.951 -1.752
122 HH2 TRP 16 HH TRP 16 7.065 -0.822 -1.855
123 H CYS 17 H CYS 17 1.593 -4.600 0.094
124 HA CYS 17 HA CYS 17 2.485 -2.193 1.285
125 HB2 CYS 17 2HB CYS 17 0.875 -1.845 -0.329
126 HB3 CYS 17 1HB CYS 17 -0.028 -3.278 0.116
127 H ARG 18 H ARG 18 -0.017 -4.478 2.440
128 HA ARG 18 HA ARG 18 -0.864 -3.178 4.759
129 HB2 ARG 18 2HB ARG 18 -0.825 -5.853 3.704
130 HB3 ARG 18 1HB ARG 18 -0.503 -5.919 5.435
131 HG2 ARG 18 2HG ARG 18 -2.493 -4.570 5.894
132 HG3 ARG 18 1HG ARG 18 -2.800 -4.402 4.164
133 HD2 ARG 18 2HD ARG 18 -2.538 -7.172 5.296
134 HD3 ARG 18 1HD ARG 18 -4.056 -6.290 5.547
135 HE ARG 18 HE ARG 18 -3.011 -7.228 2.975
136 HH11 ARG 18 1HH2 ARG 18 -5.036 -4.899 4.602
137 HH12 ARG 18 2HH2 ARG 18 -6.129 -4.733 3.270
138 HH21 ARG 18 1HH1 ARG 18 -4.410 -6.980 1.230
139 HH22 ARG 18 2HH1 ARG 18 -5.765 -5.908 1.347
140 H ASP 19 H ASP 19 2.153 -5.090 4.437
141 HA ASP 19 HA ASP 19 2.900 -4.390 7.239
142 HB2 ASP 19 2HB ASP 19 3.154 -6.660 5.787
143 HB3 ASP 19 1HB ASP 19 4.709 -5.907 5.421
144 H HIS 20 H HIS 20 4.070 -3.952 3.908
145 HA HIS 20 HA HIS 20 6.367 -2.319 4.741
146 HB2 HIS 20 2HB HIS 20 5.126 -2.972 2.042
147 HB3 HIS 20 1HB HIS 20 6.701 -2.219 2.265
148 HD1 HIS 20 1HD HIS 20 4.872 -5.472 2.956
149 HD2 HIS 20 2HD HIS 20 8.768 -4.014 2.855
150 HE1 HIS 20 1HE HIS 20 6.395 -7.482 3.173
151 H SER 21 H SER 21 3.051 -1.665 4.235
152 HA SER 21 HA SER 21 3.629 1.253 4.061
153 HB2 SER 21 2HB SER 21 3.038 -0.300 1.852
154 HB3 SER 21 1HB SER 21 1.451 0.273 2.332
155 HG SER 21 HG SER 21 3.746 1.923 1.948
156 H ARG 22 H ARG 22 2.597 1.776 6.031
157 HA ARG 22 HA ARG 22 0.114 0.517 6.908
158 HB2 ARG 22 2HB ARG 22 1.786 2.918 7.689
159 HB3 ARG 22 1HB ARG 22 0.225 2.623 8.458
160 HG2 ARG 22 2HG ARG 22 1.077 0.981 9.743
161 HG3 ARG 22 1HG ARG 22 1.776 0.173 8.341
162 HD2 ARG 22 2HD ARG 22 3.081 2.621 9.573
163 HD3 ARG 22 1HD ARG 22 3.449 0.981 10.135
164 HE ARG 22 HE ARG 22 4.248 2.130 7.562
165 HH11 ARG 22 1HH2 ARG 22 3.457 -0.798 9.284
166 HH12 ARG 22 2HH2 ARG 22 4.427 -1.804 8.262
167 HH21 ARG 22 1HH1 ARG 22 5.526 0.789 6.238
168 HH22 ARG 22 2HH1 ARG 22 5.600 -0.913 6.564
169 H CYS 23 H CYS 23 -0.580 0.979 4.476
170 HA CYS 23 HA CYS 23 -2.100 3.575 4.361
171 HB2 CYS 23 2HB CYS 23 0.089 2.921 2.937
172 HB3 CYS 23 1HB CYS 23 -1.119 2.130 1.939
173 H CYS 24 H CYS 24 -2.551 0.322 4.751
174 HA CYS 24 HA CYS 24 -5.262 0.363 3.641
175 HB2 CYS 24 2HB CYS 24 -3.207 -0.282 1.930
176 HB3 CYS 24 1HB CYS 24 -3.703 -1.871 2.509
177 HN1 NH2 25 2H CYS 24 -4.815 -1.696 6.725
178 HN2 NH2 25 1H CYS 24 -4.663 -0.060 6.304
Start of MODEL 14
1 H1 VAL 1 1HT VAL 1 9.322 1.491 3.250
2 H2 VAL 1 2HT VAL 1 10.772 1.688 2.402
3 H3 VAL 1 3HT VAL 1 10.244 0.138 2.838
4 HA VAL 1 HA VAL 1 9.499 1.793 0.576
5 HB VAL 1 HB VAL 1 9.129 -0.444 -0.381
6 HG11 VAL 1 2HG1 VAL 1 11.573 -0.355 1.416
7 HG12 VAL 1 3HG1 VAL 1 11.456 0.305 -0.215
8 HG13 VAL 1 1HG1 VAL 1 11.363 -1.440 0.043
9 HG21 VAL 1 1HG2 VAL 1 9.875 -1.873 2.129
10 HG22 VAL 1 2HG2 VAL 1 8.758 -2.351 0.844
11 HG23 VAL 1 3HG2 VAL 1 8.237 -1.201 2.080
12 H GLY 2 H GLY 2 7.252 0.514 -0.361
13 HA2 GLY 2 2HA GLY 2 4.979 -0.127 0.379
14 HA3 GLY 2 1HA GLY 2 5.177 0.945 1.747
15 H GLU 3 H GLU 3 6.532 2.796 -0.500
16 HA GLU 3 HA GLU 3 4.466 4.666 -0.792
17 HB2 GLU 3 2HB GLU 3 5.803 5.380 -2.838
18 HB3 GLU 3 1HB GLU 3 6.722 5.223 -1.346
19 HG2 GLU 3 2HG GLU 3 7.486 2.993 -2.031
20 HG3 GLU 3 1HG GLU 3 6.539 3.109 -3.513
21 H ARG 4 H ARG 4 5.235 1.948 -2.941
22 HA ARG 4 HA ARG 4 3.441 2.412 -5.056
23 HB2 ARG 4 2HB ARG 4 4.250 0.384 -5.657
24 HB3 ARG 4 1HB ARG 4 5.161 0.407 -4.158
25 HG2 ARG 4 2HG ARG 4 4.059 -1.574 -3.854
26 HG3 ARG 4 1HG ARG 4 2.825 -0.507 -3.193
27 HD2 ARG 4 2HD ARG 4 1.476 -1.568 -4.720
28 HD3 ARG 4 1HD ARG 4 2.198 -0.409 -5.853
29 HE ARG 4 HE ARG 4 4.066 -2.357 -5.929
30 HH11 ARG 4 1HH2 ARG 4 0.572 -2.544 -6.024
31 HH12 ARG 4 2HH2 ARG 4 0.559 -4.028 -6.903
32 HH21 ARG 4 1HH1 ARG 4 4.014 -4.290 -7.114
33 HH22 ARG 4 2HH1 ARG 4 2.492 -5.006 -7.531
34 H CYS 5 H CYS 5 2.799 1.436 -1.776
35 HA CYS 5 HA CYS 5 0.170 0.348 -2.087
36 HB2 CYS 5 2HB CYS 5 1.932 0.445 -0.128
37 HB3 CYS 5 1HB CYS 5 1.077 1.922 0.303
38 H CYS 6 H CYS 6 1.145 3.622 -0.945
39 HA CYS 6 HA CYS 6 -1.551 4.685 -1.208
40 HB2 CYS 6 2HB CYS 6 0.913 5.410 -0.033
41 HB3 CYS 6 1HB CYS 6 0.574 6.672 -1.218
42 H LYS 7 H LYS 7 1.154 4.306 -3.401
43 HA LYS 7 HA LYS 7 0.361 6.366 -5.295
44 HB2 LYS 7 2HB LYS 7 2.277 4.101 -5.116
45 HB3 LYS 7 1HB LYS 7 1.855 4.652 -6.737
46 HG2 LYS 7 2HG LYS 7 2.953 6.631 -6.490
47 HG3 LYS 7 1HG LYS 7 2.429 6.817 -4.815
48 HD2 LYS 7 2HD LYS 7 4.707 6.448 -4.528
49 HD3 LYS 7 1HD LYS 7 4.063 4.816 -4.376
50 HE2 LYS 7 2HE LYS 7 5.296 4.143 -6.139
51 HE3 LYS 7 1HE LYS 7 4.514 5.360 -7.166
52 HZ1 LYS 7 3HZ LYS 7 6.971 5.619 -5.526
53 HZ2 LYS 7 1HZ LYS 7 6.061 6.996 -5.922
54 HZ3 LYS 7 2HZ LYS 7 6.719 6.045 -7.152
55 H ASN 8 H ASN 8 -0.295 2.928 -4.902
56 HA ASN 8 HA ASN 8 -1.957 2.912 -7.385
57 HB2 ASN 8 2HB ASN 8 -0.357 1.005 -5.789
58 HB3 ASN 8 1HB ASN 8 -1.836 0.351 -6.457
59 HD21 ASN 8 1HD2 ASN 8 1.372 1.186 -7.205
60 HD22 ASN 8 2HD2 ASN 8 1.254 0.998 -8.883
61 H GLY 9 H GLY 9 -2.251 2.836 -3.920
62 HA2 GLY 9 2HA GLY 9 -4.132 2.665 -2.532
63 HA3 GLY 9 1HA GLY 9 -5.080 3.118 -3.950
64 H LYS 10 H LYS 10 -6.462 1.599 -4.701
65 HA LYS 10 HA LYS 10 -6.795 -0.969 -3.507
66 HB2 LYS 10 2HB LYS 10 -7.606 0.022 -6.267
67 HB3 LYS 10 1HB LYS 10 -8.337 -1.326 -5.397
68 HG2 LYS 10 2HG LYS 10 -8.264 1.197 -3.859
69 HG3 LYS 10 1HG LYS 10 -9.257 1.262 -5.315
70 HD2 LYS 10 2HD LYS 10 -10.583 -0.612 -4.596
71 HD3 LYS 10 1HD LYS 10 -9.472 -0.961 -3.271
72 HE2 LYS 10 2HE LYS 10 -11.444 0.214 -2.380
73 HE3 LYS 10 1HE LYS 10 -10.036 1.288 -2.274
74 HZ1 LYS 10 3HZ LYS 10 -10.665 2.384 -4.271
75 HZ2 LYS 10 1HZ LYS 10 -12.065 2.301 -3.320
76 HZ3 LYS 10 2HZ LYS 10 -11.861 1.229 -4.615
77 H ARG 11 H ARG 11 -4.770 0.121 -6.177
78 HA ARG 11 HA ARG 11 -4.194 -2.566 -7.173
79 HB2 ARG 11 2HB ARG 11 -3.070 0.208 -7.639
80 HB3 ARG 11 1HB ARG 11 -2.434 -1.220 -8.459
81 HG2 ARG 11 2HG ARG 11 -5.324 -1.202 -8.605
82 HG3 ARG 11 1HG ARG 11 -4.674 0.320 -9.222
83 HD2 ARG 11 2HD ARG 11 -3.541 -2.357 -10.054
84 HD3 ARG 11 1HD ARG 11 -4.869 -1.575 -10.936
85 HE ARG 11 HE ARG 11 -3.270 0.495 -10.938
86 HH11 ARG 11 1HH2 ARG 11 -2.260 -2.829 -11.138
87 HH12 ARG 11 2HH2 ARG 11 -0.772 -2.451 -11.917
88 HH21 ARG 11 1HH1 ARG 11 -1.322 0.975 -11.953
89 HH22 ARG 11 2HH1 ARG 11 -0.235 -0.301 -12.381
90 H GLY 12 H GLY 12 -3.129 -0.736 -4.529
91 HA2 GLY 12 2HA GLY 12 -0.538 -2.206 -4.402
92 HA3 GLY 12 1HA GLY 12 -0.876 -0.704 -3.543
93 H CYS 13 H CYS 13 -3.344 -1.259 -2.407
94 HA CYS 13 HA CYS 13 -2.884 -2.424 0.030
95 HB2 CYS 13 2HB CYS 13 -5.247 -2.232 -1.785
96 HB3 CYS 13 1HB CYS 13 -5.420 -3.191 -0.321
97 H GLY 14 H GLY 14 -2.408 -4.459 0.787
98 HA2 GLY 14 2HA GLY 14 -3.419 -6.917 0.095
99 HA3 GLY 14 1HA GLY 14 -2.116 -6.682 -1.074
100 H ARG 15 H ARG 15 -1.315 -8.684 0.214
101 HA ARG 15 HA ARG 15 -0.432 -8.624 2.880
102 HB2 ARG 15 2HB ARG 15 -0.473 -10.580 1.364
103 HB3 ARG 15 1HB ARG 15 0.839 -9.883 0.419
104 HG2 ARG 15 2HG ARG 15 1.883 -11.437 1.888
105 HG3 ARG 15 1HG ARG 15 2.192 -9.853 2.593
106 HD2 ARG 15 2HD ARG 15 1.425 -11.560 4.300
107 HD3 ARG 15 1HD ARG 15 0.340 -10.166 4.187
108 HE ARG 15 HE ARG 15 -1.285 -11.529 3.105
109 HH11 ARG 15 1HH2 ARG 15 1.779 -13.151 3.435
110 HH12 ARG 15 2HH2 ARG 15 1.145 -14.705 3.033
111 HH21 ARG 15 1HH1 ARG 15 -2.127 -13.551 2.602
112 HH22 ARG 15 2HH1 ARG 15 -1.097 -14.941 2.582
113 H TRP 16 H TRP 16 1.422 -7.709 -0.050
114 HA TRP 16 HA TRP 16 3.844 -6.874 1.154
115 HB2 TRP 16 2HB TRP 16 3.240 -7.038 -1.291
116 HB3 TRP 16 1HB TRP 16 2.334 -5.533 -1.110
117 HD1 TRP 16 HD TRP 16 5.884 -6.940 -0.977
118 HE1 TRP 16 1HE TRP 16 7.538 -5.029 -1.317
119 HE3 TRP 16 3HE TRP 16 2.687 -2.946 -0.886
120 HZ2 TRP 16 2HZ TRP 16 7.544 -2.191 -1.548
121 HZ3 TRP 16 3HZ TRP 16 3.548 -0.662 -1.175
122 HH2 TRP 16 HH TRP 16 5.975 -0.280 -1.508
123 H CYS 17 H CYS 17 1.057 -4.836 0.280
124 HA CYS 17 HA CYS 17 1.813 -2.427 1.523
125 HB2 CYS 17 2HB CYS 17 -0.693 -3.837 0.748
126 HB3 CYS 17 1HB CYS 17 -0.861 -2.457 1.829
127 H ARG 18 H ARG 18 0.051 -5.212 2.874
128 HA ARG 18 HA ARG 18 -0.586 -4.236 5.440
129 HB2 ARG 18 2HB ARG 18 -0.907 -6.533 4.096
130 HB3 ARG 18 1HB ARG 18 0.443 -7.027 5.106
131 HG2 ARG 18 2HG ARG 18 -0.929 -7.295 6.859
132 HG3 ARG 18 1HG ARG 18 -1.450 -5.615 6.738
133 HD2 ARG 18 2HD ARG 18 -2.571 -7.750 4.903
134 HD3 ARG 18 1HD ARG 18 -3.294 -7.399 6.480
135 HE ARG 18 HE ARG 18 -2.968 -5.393 4.280
136 HH11 ARG 18 1HH2 ARG 18 -4.503 -6.515 7.210
137 HH12 ARG 18 2HH2 ARG 18 -5.637 -5.214 7.258
138 HH21 ARG 18 1HH1 ARG 18 -4.468 -3.695 4.362
139 HH22 ARG 18 2HH1 ARG 18 -5.624 -3.629 5.644
140 H ASP 19 H ASP 19 2.439 -5.858 4.396
141 HA ASP 19 HA ASP 19 3.648 -5.337 7.058
142 HB2 ASP 19 2HB ASP 19 3.673 -7.447 5.393
143 HB3 ASP 19 1HB ASP 19 5.114 -6.620 4.799
144 H HIS 20 H HIS 20 3.925 -4.164 3.735
145 HA HIS 20 HA HIS 20 6.449 -2.726 4.410
146 HB2 HIS 20 2HB HIS 20 4.936 -3.161 1.818
147 HB3 HIS 20 1HB HIS 20 6.522 -2.405 1.951
148 HD1 HIS 20 1HD HIS 20 4.808 -5.733 2.677
149 HD2 HIS 20 2HD HIS 20 8.625 -4.208 1.995
150 HE1 HIS 20 1HE HIS 20 6.364 -7.730 2.524
151 H SER 21 H SER 21 3.027 -2.001 3.950
152 HA SER 21 HA SER 21 3.777 0.903 3.898
153 HB2 SER 21 2HB SER 21 1.244 -0.008 2.651
154 HB3 SER 21 1HB SER 21 2.352 1.250 2.144
155 HG SER 21 HG SER 21 3.804 -0.700 1.717
156 H ARG 22 H ARG 22 2.244 2.361 4.821
157 HA ARG 22 HA ARG 22 0.443 1.116 6.869
158 HB2 ARG 22 2HB ARG 22 1.936 3.761 6.758
159 HB3 ARG 22 1HB ARG 22 0.833 3.300 8.052
160 HG2 ARG 22 2HG ARG 22 2.922 1.304 7.390
161 HG3 ARG 22 1HG ARG 22 3.499 2.801 8.122
162 HD2 ARG 22 2HD ARG 22 1.254 1.096 9.267
163 HD3 ARG 22 1HD ARG 22 2.929 1.070 9.837
164 HE ARG 22 HE ARG 22 1.025 3.316 10.181
165 HH11 ARG 22 1HH2 ARG 22 4.309 2.139 10.346
166 HH12 ARG 22 2HH2 ARG 22 4.848 3.431 11.353
167 HH21 ARG 22 1HH1 ARG 22 1.758 5.004 11.484
168 HH22 ARG 22 2HH1 ARG 22 3.414 5.050 11.993
169 H CYS 23 H CYS 23 0.448 2.765 3.911
170 HA CYS 23 HA CYS 23 -1.825 4.545 4.304
171 HB2 CYS 23 2HB CYS 23 -0.067 4.989 2.672
172 HB3 CYS 23 1HB CYS 23 -0.350 3.437 1.892
173 H CYS 24 H CYS 24 -1.486 1.141 3.657
174 HA CYS 24 HA CYS 24 -4.301 0.987 2.650
175 HB2 CYS 24 2HB CYS 24 -1.784 -0.558 2.339
176 HB3 CYS 24 1HB CYS 24 -3.253 -1.523 2.434
177 HN1 NH2 25 2H CYS 24 -4.511 0.189 6.321
178 HN2 NH2 25 1H CYS 24 -4.158 1.572 5.403
Start of MODEL 15
1 H1 VAL 1 1HT VAL 1 10.128 2.215 1.389
2 H2 VAL 1 2HT VAL 1 9.686 2.747 -0.166
3 H3 VAL 1 3HT VAL 1 11.093 1.836 0.046
4 HA VAL 1 HA VAL 1 9.328 0.458 -0.878
5 HB VAL 1 HB VAL 1 9.759 -0.249 2.042
6 HG11 VAL 1 2HG1 VAL 1 8.452 -1.865 0.814
7 HG12 VAL 1 3HG1 VAL 1 10.071 -2.532 1.008
8 HG13 VAL 1 1HG1 VAL 1 9.594 -1.833 -0.534
9 HG21 VAL 1 1HG2 VAL 1 11.959 0.323 1.550
10 HG22 VAL 1 2HG2 VAL 1 11.766 -0.005 -0.174
11 HG23 VAL 1 3HG2 VAL 1 11.928 -1.346 0.962
12 H GLY 2 H GLY 2 7.239 -0.637 -0.324
13 HA2 GLY 2 2HA GLY 2 5.038 -0.661 0.535
14 HA3 GLY 2 1HA GLY 2 5.536 0.498 1.744
15 H GLU 3 H GLU 3 6.445 2.588 0.055
16 HA GLU 3 HA GLU 3 4.378 4.277 -0.401
17 HB2 GLU 3 2HB GLU 3 5.816 5.185 -2.279
18 HB3 GLU 3 1HB GLU 3 6.674 4.881 -0.768
19 HG2 GLU 3 2HG GLU 3 7.327 2.618 -1.691
20 HG3 GLU 3 1HG GLU 3 6.639 3.115 -3.234
21 H ARG 4 H ARG 4 5.282 1.688 -2.670
22 HA ARG 4 HA ARG 4 3.704 2.304 -4.884
23 HB2 ARG 4 2HB ARG 4 4.858 0.405 -5.343
24 HB3 ARG 4 1HB ARG 4 5.005 0.011 -3.638
25 HG2 ARG 4 2HG ARG 4 3.733 -1.771 -4.306
26 HG3 ARG 4 1HG ARG 4 2.428 -0.637 -3.952
27 HD2 ARG 4 2HD ARG 4 2.611 0.111 -6.404
28 HD3 ARG 4 1HD ARG 4 3.596 -1.339 -6.664
29 HE ARG 4 HE ARG 4 0.712 -1.295 -6.043
30 HH11 ARG 4 1HH2 ARG 4 3.674 -3.116 -6.162
31 HH12 ARG 4 2HH2 ARG 4 2.877 -4.638 -6.337
32 HH21 ARG 4 1HH1 ARG 4 -0.336 -3.293 -6.225
33 HH22 ARG 4 2HH1 ARG 4 0.604 -4.745 -6.338
34 H CYS 5 H CYS 5 2.726 1.148 -1.718
35 HA CYS 5 HA CYS 5 0.082 0.257 -2.311
36 HB2 CYS 5 2HB CYS 5 1.525 0.050 -0.185
37 HB3 CYS 5 1HB CYS 5 0.979 1.681 0.198
38 H CYS 6 H CYS 6 1.064 3.417 -0.882
39 HA CYS 6 HA CYS 6 -1.469 4.704 -1.331
40 HB2 CYS 6 2HB CYS 6 1.131 5.300 -0.259
41 HB3 CYS 6 1HB CYS 6 0.698 6.581 -1.383
42 H LYS 7 H LYS 7 1.526 4.510 -3.252
43 HA LYS 7 HA LYS 7 0.935 6.327 -5.332
44 HB2 LYS 7 2HB LYS 7 2.563 3.875 -4.931
45 HB3 LYS 7 1HB LYS 7 2.263 4.332 -6.605
46 HG2 LYS 7 2HG LYS 7 3.665 6.101 -6.488
47 HG3 LYS 7 1HG LYS 7 3.000 6.627 -4.942
48 HD2 LYS 7 2HD LYS 7 5.186 6.055 -4.372
49 HD3 LYS 7 1HD LYS 7 4.298 4.592 -3.971
50 HE2 LYS 7 2HE LYS 7 5.673 3.443 -5.365
51 HE3 LYS 7 1HE LYS 7 4.991 4.366 -6.719
52 HZ1 LYS 7 3HZ LYS 7 7.284 5.176 -4.981
53 HZ2 LYS 7 1HZ LYS 7 6.543 6.198 -6.124
54 HZ3 LYS 7 2HZ LYS 7 7.334 4.794 -6.642
55 H ASN 8 H ASN 8 -0.408 3.156 -4.691
56 HA ASN 8 HA ASN 8 -1.903 3.285 -7.290
57 HB2 ASN 8 2HB ASN 8 -0.322 1.240 -5.890
58 HB3 ASN 8 1HB ASN 8 -1.847 0.650 -6.522
59 HD21 ASN 8 1HD2 ASN 8 1.330 1.154 -7.353
60 HD22 ASN 8 2HD2 ASN 8 1.149 1.222 -9.028
61 H GLY 9 H GLY 9 -2.312 3.412 -3.916
62 HA2 GLY 9 2HA GLY 9 -4.199 3.211 -2.545
63 HA3 GLY 9 1HA GLY 9 -5.141 3.483 -4.009
64 H LYS 10 H LYS 10 -6.574 1.867 -4.330
65 HA LYS 10 HA LYS 10 -6.591 -0.644 -3.025
66 HB2 LYS 10 2HB LYS 10 -8.234 -1.233 -4.847
67 HB3 LYS 10 1HB LYS 10 -8.562 0.309 -4.063
68 HG2 LYS 10 2HG LYS 10 -8.526 1.286 -6.091
69 HG3 LYS 10 1HG LYS 10 -6.815 0.890 -6.214
70 HD2 LYS 10 2HD LYS 10 -7.344 -0.462 -7.944
71 HD3 LYS 10 1HD LYS 10 -8.146 -1.515 -6.782
72 HE2 LYS 10 2HE LYS 10 -9.736 -0.944 -8.551
73 HE3 LYS 10 1HE LYS 10 -10.231 -0.110 -7.063
74 HZ1 LYS 10 3HZ LYS 10 -8.353 1.194 -8.929
75 HZ2 LYS 10 1HZ LYS 10 -9.419 1.901 -7.812
76 HZ3 LYS 10 2HZ LYS 10 -10.020 1.236 -9.245
77 H ARG 11 H ARG 11 -4.886 0.358 -5.938
78 HA ARG 11 HA ARG 11 -4.270 -2.325 -6.899
79 HB2 ARG 11 2HB ARG 11 -3.112 0.432 -7.422
80 HB3 ARG 11 1HB ARG 11 -2.679 -1.004 -8.339
81 HG2 ARG 11 2HG ARG 11 -4.680 -1.090 -9.424
82 HG3 ARG 11 1HG ARG 11 -5.576 -0.442 -8.053
83 HD2 ARG 11 2HD ARG 11 -5.532 1.242 -9.824
84 HD3 ARG 11 1HD ARG 11 -4.494 1.784 -8.491
85 HE ARG 11 HE ARG 11 -2.566 1.333 -9.822
86 HH11 ARG 11 1HH2 ARG 11 -5.504 0.177 -11.312
87 HH12 ARG 11 2HH2 ARG 11 -4.777 -0.036 -12.863
88 HH21 ARG 11 1HH1 ARG 11 -1.630 1.062 -11.864
89 HH22 ARG 11 2HH1 ARG 11 -2.579 0.458 -13.181
90 H GLY 12 H GLY 12 -3.133 -0.434 -4.331
91 HA2 GLY 12 2HA GLY 12 -0.468 -1.761 -4.316
92 HA3 GLY 12 1HA GLY 12 -0.906 -0.339 -3.371
93 H CYS 13 H CYS 13 -3.521 -1.626 -2.559
94 HA CYS 13 HA CYS 13 -2.865 -2.666 -0.040
95 HB2 CYS 13 2HB CYS 13 -5.167 -2.655 -1.892
96 HB3 CYS 13 1HB CYS 13 -5.208 -3.945 -0.696
97 H GLY 14 H GLY 14 -2.544 -4.755 0.775
98 HA2 GLY 14 2HA GLY 14 -2.882 -7.260 -0.138
99 HA3 GLY 14 1HA GLY 14 -1.533 -6.747 -1.160
100 H ARG 15 H ARG 15 -1.132 -8.846 0.607
101 HA ARG 15 HA ARG 15 -0.259 -8.361 3.219
102 HB2 ARG 15 2HB ARG 15 1.474 -10.193 2.663
103 HB3 ARG 15 1HB ARG 15 -0.219 -10.585 2.384
104 HG2 ARG 15 2HG ARG 15 0.181 -10.953 0.199
105 HG3 ARG 15 1HG ARG 15 0.881 -9.352 0.012
106 HD2 ARG 15 2HD ARG 15 2.594 -10.955 -0.575
107 HD3 ARG 15 1HD ARG 15 3.026 -10.293 1.014
108 HE ARG 15 HE ARG 15 1.385 -12.786 0.863
109 HH11 ARG 15 1HH2 ARG 15 4.312 -11.119 1.799
110 HH12 ARG 15 2HH2 ARG 15 4.850 -12.400 2.814
111 HH21 ARG 15 1HH1 ARG 15 2.121 -14.441 2.211
112 HH22 ARG 15 2HH1 ARG 15 3.623 -14.269 3.044
113 H TRP 16 H TRP 16 1.515 -7.724 0.206
114 HA TRP 16 HA TRP 16 4.028 -6.880 1.231
115 HB2 TRP 16 2HB TRP 16 3.300 -7.222 -1.154
116 HB3 TRP 16 1HB TRP 16 2.402 -5.709 -1.051
117 HD1 TRP 16 HD TRP 16 5.936 -7.108 -1.024
118 HE1 TRP 16 1HE TRP 16 7.566 -5.246 -1.612
119 HE3 TRP 16 3HE TRP 16 2.761 -3.103 -0.944
120 HZ2 TRP 16 2HZ TRP 16 7.554 -2.412 -2.027
121 HZ3 TRP 16 3HZ TRP 16 3.609 -0.837 -1.435
122 HH2 TRP 16 HH TRP 16 5.996 -0.483 -1.976
123 H CYS 17 H CYS 17 1.252 -4.764 0.335
124 HA CYS 17 HA CYS 17 2.270 -2.422 1.627
125 HB2 CYS 17 2HB CYS 17 0.410 -2.442 0.009
126 HB3 CYS 17 1HB CYS 17 -0.582 -3.350 1.149
127 H ARG 18 H ARG 18 0.065 -4.990 2.789
128 HA ARG 18 HA ARG 18 -0.614 -4.134 5.341
129 HB2 ARG 18 2HB ARG 18 -0.925 -6.377 3.996
130 HB3 ARG 18 1HB ARG 18 0.480 -6.897 4.911
131 HG2 ARG 18 2HG ARG 18 -0.635 -6.773 6.958
132 HG3 ARG 18 1HG ARG 18 -1.838 -5.637 6.346
133 HD2 ARG 18 2HD ARG 18 -1.683 -8.410 5.163
134 HD3 ARG 18 1HD ARG 18 -2.566 -8.141 6.680
135 HE ARG 18 HE ARG 18 -3.351 -6.083 4.900
136 HH11 ARG 18 1HH2 ARG 18 -3.476 -9.564 5.065
137 HH12 ARG 18 2HH2 ARG 18 -4.973 -9.672 4.215
138 HH21 ARG 18 1HH1 ARG 18 -5.334 -6.229 3.825
139 HH22 ARG 18 2HH1 ARG 18 -6.036 -7.780 3.521
140 H ASP 19 H ASP 19 2.463 -5.734 4.451
141 HA ASP 19 HA ASP 19 3.550 -5.180 7.153
142 HB2 ASP 19 2HB ASP 19 3.721 -7.324 5.601
143 HB3 ASP 19 1HB ASP 19 5.087 -6.438 4.910
144 H HIS 20 H HIS 20 3.850 -3.958 3.874
145 HA HIS 20 HA HIS 20 6.345 -2.479 4.588
146 HB2 HIS 20 2HB HIS 20 4.885 -2.993 1.976
147 HB3 HIS 20 1HB HIS 20 6.421 -2.144 2.110
148 HD1 HIS 20 1HD HIS 20 4.908 -5.547 2.911
149 HD2 HIS 20 2HD HIS 20 8.615 -3.841 2.121
150 HE1 HIS 20 1HE HIS 20 6.569 -7.457 2.778
151 H SER 21 H SER 21 2.947 -1.857 4.400
152 HA SER 21 HA SER 21 3.516 1.064 4.466
153 HB2 SER 21 2HB SER 21 2.749 -0.388 2.147
154 HB3 SER 21 1HB SER 21 1.350 0.560 2.632
155 HG SER 21 HG SER 21 3.954 1.681 2.524
156 H ARG 22 H ARG 22 1.834 2.300 5.356
157 HA ARG 22 HA ARG 22 -0.289 0.780 6.802
158 HB2 ARG 22 2HB ARG 22 0.658 3.658 7.058
159 HB3 ARG 22 1HB ARG 22 -0.412 2.812 8.175
160 HG2 ARG 22 2HG ARG 22 1.388 2.065 9.308
161 HG3 ARG 22 1HG ARG 22 1.918 1.200 7.867
162 HD2 ARG 22 2HD ARG 22 3.674 2.770 8.635
163 HD3 ARG 22 1HD ARG 22 3.050 3.263 7.057
164 HE ARG 22 HE ARG 22 1.758 5.019 8.135
165 HH11 ARG 22 1HH2 ARG 22 3.782 3.180 10.292
166 HH12 ARG 22 2HH2 ARG 22 3.748 4.374 11.540
167 HH21 ARG 22 1HH1 ARG 22 1.733 6.583 9.755
168 HH22 ARG 22 2HH1 ARG 22 2.577 6.308 11.239
169 H CYS 23 H CYS 23 0.199 2.681 4.013
170 HA CYS 23 HA CYS 23 -2.346 4.086 3.877
171 HB2 CYS 23 2HB CYS 23 -0.214 4.746 2.752
172 HB3 CYS 23 1HB CYS 23 -0.318 3.303 1.745
173 H CYS 24 H CYS 24 -3.278 1.663 4.533
174 HA CYS 24 HA CYS 24 -4.998 0.866 2.384
175 HB2 CYS 24 2HB CYS 24 -2.331 -0.261 2.383
176 HB3 CYS 24 1HB CYS 24 -3.510 -1.544 2.631
177 HN1 NH2 25 2H CYS 24 -6.141 -0.044 5.781
178 HN2 NH2 25 1H CYS 24 -5.859 1.359 4.870
Start of MODEL 16
1 H1 VAL 1 1HT VAL 1 10.082 2.341 2.577
2 H2 VAL 1 2HT VAL 1 11.341 1.211 2.652
3 H3 VAL 1 3HT VAL 1 9.935 0.985 3.577
4 HA VAL 1 HA VAL 1 9.903 1.079 0.614
5 HB VAL 1 HB VAL 1 11.396 -0.709 1.351
6 HG11 VAL 1 2HG1 VAL 1 9.329 -1.074 3.459
7 HG12 VAL 1 3HG1 VAL 1 11.069 -1.329 3.533
8 HG13 VAL 1 1HG1 VAL 1 10.027 -2.549 2.805
9 HG21 VAL 1 1HG2 VAL 1 8.753 -2.074 0.869
10 HG22 VAL 1 2HG2 VAL 1 10.347 -2.517 0.260
11 HG23 VAL 1 3HG2 VAL 1 9.514 -1.104 -0.390
12 H GLY 2 H GLY 2 7.782 0.887 -0.149
13 HA2 GLY 2 2HA GLY 2 5.561 -0.359 0.596
14 HA3 GLY 2 1HA GLY 2 5.636 0.805 1.902
15 H GLU 3 H GLU 3 6.884 2.736 -0.167
16 HA GLU 3 HA GLU 3 4.863 4.497 -0.687
17 HB2 GLU 3 2HB GLU 3 6.255 5.079 -2.755
18 HB3 GLU 3 1HB GLU 3 7.128 5.008 -1.224
19 HG2 GLU 3 2HG GLU 3 7.981 2.800 -1.729
20 HG3 GLU 3 1HG GLU 3 6.929 2.661 -3.132
21 H ARG 4 H ARG 4 5.487 1.614 -2.645
22 HA ARG 4 HA ARG 4 3.889 2.193 -4.899
23 HB2 ARG 4 2HB ARG 4 4.367 -0.458 -3.509
24 HB3 ARG 4 1HB ARG 4 3.859 -0.259 -5.180
25 HG2 ARG 4 2HG ARG 4 6.511 0.444 -3.932
26 HG3 ARG 4 1HG ARG 4 6.177 -0.571 -5.331
27 HD2 ARG 4 2HD ARG 4 5.563 1.349 -6.682
28 HD3 ARG 4 1HD ARG 4 5.683 2.423 -5.275
29 HE ARG 4 HE ARG 4 8.053 2.306 -5.406
30 HH11 ARG 4 1HH2 ARG 4 6.518 -0.084 -7.456
31 HH12 ARG 4 2HH2 ARG 4 7.997 -0.536 -8.231
32 HH21 ARG 4 1HH1 ARG 4 9.962 1.679 -6.422
33 HH22 ARG 4 2HH1 ARG 4 9.939 0.455 -7.650
34 H CYS 5 H CYS 5 2.857 1.144 -1.689
35 HA CYS 5 HA CYS 5 0.276 0.151 -2.414
36 HB2 CYS 5 2HB CYS 5 1.416 -0.212 -0.276
37 HB3 CYS 5 1HB CYS 5 1.222 1.495 0.122
38 H CYS 6 H CYS 6 0.726 3.284 -0.665
39 HA CYS 6 HA CYS 6 -1.833 4.318 -1.324
40 HB2 CYS 6 2HB CYS 6 0.574 5.184 -0.067
41 HB3 CYS 6 1HB CYS 6 0.119 6.433 -1.223
42 H LYS 7 H LYS 7 1.193 4.422 -3.183
43 HA LYS 7 HA LYS 7 0.462 6.220 -5.265
44 HB2 LYS 7 2HB LYS 7 2.485 4.287 -4.654
45 HB3 LYS 7 1HB LYS 7 1.929 3.982 -6.288
46 HG2 LYS 7 2HG LYS 7 2.779 6.695 -5.257
47 HG3 LYS 7 1HG LYS 7 3.812 5.604 -6.179
48 HD2 LYS 7 2HD LYS 7 1.178 6.754 -7.143
49 HD3 LYS 7 1HD LYS 7 2.778 7.299 -7.646
50 HE2 LYS 7 2HE LYS 7 2.981 5.594 -9.143
51 HE3 LYS 7 1HE LYS 7 2.458 4.393 -7.948
52 HZ1 LYS 7 3HZ LYS 7 0.803 4.543 -9.648
53 HZ2 LYS 7 1HZ LYS 7 0.727 6.226 -9.509
54 HZ3 LYS 7 2HZ LYS 7 0.163 5.246 -8.234
55 H ASN 8 H ASN 8 -0.517 2.945 -4.603
56 HA ASN 8 HA ASN 8 -1.844 2.693 -7.267
57 HB2 ASN 8 2HB ASN 8 -0.623 0.911 -5.227
58 HB3 ASN 8 1HB ASN 8 -1.982 0.256 -6.117
59 HD21 ASN 8 1HD2 ASN 8 1.327 0.525 -6.229
60 HD22 ASN 8 2HD2 ASN 8 1.534 0.357 -7.895
61 H GLY 9 H GLY 9 -2.538 3.161 -3.906
62 HA2 GLY 9 2HA GLY 9 -4.584 3.333 -2.768
63 HA3 GLY 9 1HA GLY 9 -5.354 3.473 -4.344
64 H LYS 10 H LYS 10 -6.695 1.837 -4.870
65 HA LYS 10 HA LYS 10 -7.111 -0.457 -3.220
66 HB2 LYS 10 2HB LYS 10 -7.778 0.193 -6.108
67 HB3 LYS 10 1HB LYS 10 -8.407 -1.227 -5.268
68 HG2 LYS 10 2HG LYS 10 -9.081 0.595 -3.432
69 HG3 LYS 10 1HG LYS 10 -9.040 1.668 -4.834
70 HD2 LYS 10 2HD LYS 10 -10.421 -0.429 -5.884
71 HD3 LYS 10 1HD LYS 10 -10.924 -0.534 -4.196
72 HE2 LYS 10 2HE LYS 10 -12.468 0.944 -5.416
73 HE3 LYS 10 1HE LYS 10 -11.523 1.912 -4.271
74 HZ1 LYS 10 3HZ LYS 10 -10.270 1.507 -6.855
75 HZ2 LYS 10 1HZ LYS 10 -10.394 2.916 -5.922
76 HZ3 LYS 10 2HZ LYS 10 -11.687 2.432 -6.902
77 H ARG 11 H ARG 11 -5.000 0.106 -5.995
78 HA ARG 11 HA ARG 11 -4.311 -2.707 -6.365
79 HB2 ARG 11 2HB ARG 11 -3.016 -0.106 -7.244
80 HB3 ARG 11 1HB ARG 11 -2.502 -1.698 -7.786
81 HG2 ARG 11 2HG ARG 11 -5.116 -1.918 -8.358
82 HG3 ARG 11 1HG ARG 11 -4.962 -0.162 -8.477
83 HD2 ARG 11 2HD ARG 11 -4.455 -0.969 -10.683
84 HD3 ARG 11 1HD ARG 11 -2.871 -0.632 -9.955
85 HE ARG 11 HE ARG 11 -3.880 -3.357 -9.480
86 HH11 ARG 11 1HH2 ARG 11 -1.995 -1.246 -11.520
87 HH12 ARG 11 2HH2 ARG 11 -1.029 -2.531 -12.162
88 HH21 ARG 11 1HH1 ARG 11 -2.641 -5.027 -10.350
89 HH22 ARG 11 2HH1 ARG 11 -1.392 -4.674 -11.490
90 H GLY 12 H GLY 12 -3.311 -0.171 -4.273
91 HA2 GLY 12 2HA GLY 12 -0.724 -1.298 -3.576
92 HA3 GLY 12 1HA GLY 12 -1.550 0.007 -2.727
93 H CYS 13 H CYS 13 -4.021 -1.467 -2.282
94 HA CYS 13 HA CYS 13 -3.489 -2.682 0.228
95 HB2 CYS 13 2HB CYS 13 -5.687 -2.076 -1.419
96 HB3 CYS 13 1HB CYS 13 -5.822 -3.797 -1.093
97 H GLY 14 H GLY 14 -2.338 -4.493 0.586
98 HA2 GLY 14 2HA GLY 14 -2.934 -7.056 -0.445
99 HA3 GLY 14 1HA GLY 14 -1.614 -6.401 -1.418
100 H ARG 15 H ARG 15 -1.068 -8.631 0.105
101 HA ARG 15 HA ARG 15 -0.236 -8.439 2.763
102 HB2 ARG 15 2HB ARG 15 -0.007 -10.522 1.683
103 HB3 ARG 15 1HB ARG 15 0.840 -9.822 0.309
104 HG2 ARG 15 2HG ARG 15 2.625 -10.819 1.407
105 HG3 ARG 15 1HG ARG 15 2.665 -9.228 2.159
106 HD2 ARG 15 2HD ARG 15 2.762 -10.703 3.998
107 HD3 ARG 15 1HD ARG 15 1.038 -10.285 3.919
108 HE ARG 15 HE ARG 15 1.268 -12.465 2.207
109 HH11 ARG 15 1HH2 ARG 15 2.099 -11.793 5.516
110 HH12 ARG 15 2HH2 ARG 15 1.910 -13.435 6.025
111 HH21 ARG 15 1HH1 ARG 15 1.016 -14.604 2.877
112 HH22 ARG 15 2HH1 ARG 15 1.291 -15.025 4.531
113 H TRP 16 H TRP 16 1.827 -7.658 -0.063
114 HA TRP 16 HA TRP 16 4.125 -6.692 1.235
115 HB2 TRP 16 2HB TRP 16 3.587 -7.025 -1.238
116 HB3 TRP 16 1HB TRP 16 2.816 -5.436 -1.188
117 HD1 TRP 16 HD TRP 16 6.208 -7.144 -0.875
118 HE1 TRP 16 1HE TRP 16 8.046 -5.383 -1.136
119 HE3 TRP 16 3HE TRP 16 3.352 -2.930 -0.935
120 HZ2 TRP 16 2HZ TRP 16 8.280 -2.509 -1.339
121 HZ3 TRP 16 3HZ TRP 16 4.397 -0.706 -1.159
122 HH2 TRP 16 HH TRP 16 6.859 -0.487 -1.371
123 H CYS 17 H CYS 17 1.458 -4.594 0.046
124 HA CYS 17 HA CYS 17 2.315 -2.240 1.400
125 HB2 CYS 17 2HB CYS 17 0.731 -1.993 -0.315
126 HB3 CYS 17 1HB CYS 17 -0.283 -3.272 0.309
127 H ARG 18 H ARG 18 -0.032 -4.728 2.361
128 HA ARG 18 HA ARG 18 -0.981 -3.677 4.780
129 HB2 ARG 18 2HB ARG 18 -0.628 -6.297 3.523
130 HB3 ARG 18 1HB ARG 18 -0.636 -6.377 5.286
131 HG2 ARG 18 2HG ARG 18 -2.731 -4.943 5.238
132 HG3 ARG 18 1HG ARG 18 -2.769 -5.190 3.491
133 HD2 ARG 18 2HD ARG 18 -2.516 -7.599 5.273
134 HD3 ARG 18 1HD ARG 18 -4.109 -6.844 5.074
135 HE ARG 18 HE ARG 18 -2.467 -8.044 2.906
136 HH11 ARG 18 1HH2 ARG 18 -5.297 -6.297 3.900
137 HH12 ARG 18 2HH2 ARG 18 -6.226 -6.746 2.515
138 HH21 ARG 18 1HH1 ARG 18 -3.670 -8.617 1.072
139 HH22 ARG 18 2HH1 ARG 18 -5.293 -8.043 0.891
140 H ASP 19 H ASP 19 2.066 -5.469 4.250
141 HA ASP 19 HA ASP 19 2.833 -5.121 7.101
142 HB2 ASP 19 2HB ASP 19 3.058 -7.211 5.488
143 HB3 ASP 19 1HB ASP 19 4.540 -6.392 4.986
144 H HIS 20 H HIS 20 3.847 -3.988 3.882
145 HA HIS 20 HA HIS 20 6.181 -2.566 5.055
146 HB2 HIS 20 2HB HIS 20 5.177 -2.908 2.206
147 HB3 HIS 20 1HB HIS 20 6.728 -2.218 2.663
148 HD1 HIS 20 1HD HIS 20 4.801 -5.497 2.894
149 HD2 HIS 20 2HD HIS 20 8.724 -4.118 3.062
150 HE1 HIS 20 1HE HIS 20 6.283 -7.550 2.975
151 H SER 21 H SER 21 3.374 -1.800 3.011
152 HA SER 21 HA SER 21 3.805 1.070 3.111
153 HB2 SER 21 2HB SER 21 1.438 -0.622 2.304
154 HB3 SER 21 1HB SER 21 1.706 1.043 1.833
155 HG SER 21 HG SER 21 3.367 0.427 0.563
156 H ARG 22 H ARG 22 2.172 2.595 3.907
157 HA ARG 22 HA ARG 22 0.691 1.633 6.333
158 HB2 ARG 22 2HB ARG 22 2.720 3.624 5.981
159 HB3 ARG 22 1HB ARG 22 1.217 4.462 6.371
160 HG2 ARG 22 2HG ARG 22 1.096 2.396 8.141
161 HG3 ARG 22 1HG ARG 22 2.845 2.624 8.031
162 HD2 ARG 22 2HD ARG 22 1.945 4.051 9.829
163 HD3 ARG 22 1HD ARG 22 2.500 5.076 8.492
164 HE ARG 22 HE ARG 22 -0.048 4.772 7.729
165 HH11 ARG 22 1HH2 ARG 22 1.211 5.227 10.955
166 HH12 ARG 22 2HH2 ARG 22 -0.220 6.011 11.528
167 HH21 ARG 22 1HH1 ARG 22 -1.905 5.808 8.503
168 HH22 ARG 22 2HH1 ARG 22 -1.976 6.335 10.146
169 H CYS 23 H CYS 23 -0.161 1.821 3.466
170 HA CYS 23 HA CYS 23 -2.303 3.896 3.674
171 HB2 CYS 23 2HB CYS 23 -0.463 3.883 1.841
172 HB3 CYS 23 1HB CYS 23 -1.332 2.505 1.174
173 H CYS 24 H CYS 24 -1.675 0.508 3.670
174 HA CYS 24 HA CYS 24 -4.561 -0.101 3.677
175 HB2 CYS 24 2HB CYS 24 -2.903 -0.350 1.342
176 HB3 CYS 24 1HB CYS 24 -3.390 -1.954 1.879
177 HN1 NH2 25 2H CYS 24 -2.114 -2.049 5.934
178 HN2 NH2 25 1H CYS 24 -2.214 -0.389 5.584
Start of MODEL 17
1 H1 VAL 1 1HT VAL 1 11.578 1.463 0.843
2 H2 VAL 1 2HT VAL 1 10.332 1.969 1.879
3 H3 VAL 1 3HT VAL 1 10.406 2.555 0.287
4 HA VAL 1 HA VAL 1 9.729 0.556 -0.652
5 HB VAL 1 HB VAL 1 11.354 -0.792 0.588
6 HG11 VAL 1 2HG1 VAL 1 11.019 0.258 2.813
7 HG12 VAL 1 3HG1 VAL 1 10.951 -1.499 2.897
8 HG13 VAL 1 1HG1 VAL 1 9.461 -0.558 2.951
9 HG21 VAL 1 1HG2 VAL 1 10.032 -2.804 0.911
10 HG22 VAL 1 2HG2 VAL 1 9.408 -1.916 -0.477
11 HG23 VAL 1 3HG2 VAL 1 8.554 -1.852 1.068
12 H GLY 2 H GLY 2 7.574 -0.364 -0.489
13 HA2 GLY 2 2HA GLY 2 5.402 -0.637 0.541
14 HA3 GLY 2 1HA GLY 2 5.865 0.538 1.764
15 H GLU 3 H GLU 3 6.812 2.577 0.088
16 HA GLU 3 HA GLU 3 4.832 4.337 -0.424
17 HB2 GLU 3 2HB GLU 3 6.342 5.038 -2.411
18 HB3 GLU 3 1HB GLU 3 7.069 4.955 -0.807
19 HG2 GLU 3 2HG GLU 3 7.460 2.389 -1.635
20 HG3 GLU 3 1HG GLU 3 7.527 3.224 -3.178
21 H ARG 4 H ARG 4 5.762 1.861 -2.806
22 HA ARG 4 HA ARG 4 4.159 2.538 -4.984
23 HB2 ARG 4 2HB ARG 4 5.199 0.652 -5.639
24 HB3 ARG 4 1HB ARG 4 5.622 0.292 -3.971
25 HG2 ARG 4 2HG ARG 4 4.395 -1.591 -4.577
26 HG3 ARG 4 1HG ARG 4 3.152 -0.598 -3.824
27 HD2 ARG 4 2HD ARG 4 1.995 -0.459 -5.774
28 HD3 ARG 4 1HD ARG 4 3.450 0.067 -6.645
29 HE ARG 4 HE ARG 4 3.105 -2.818 -5.949
30 HH11 ARG 4 1HH2 ARG 4 3.528 -0.277 -8.306
31 HH12 ARG 4 2HH2 ARG 4 3.811 -1.375 -9.605
32 HH21 ARG 4 1HH1 ARG 4 3.494 -4.229 -7.668
33 HH22 ARG 4 2HH1 ARG 4 3.791 -3.596 -9.249
34 H CYS 5 H CYS 5 3.130 1.194 -1.900
35 HA CYS 5 HA CYS 5 0.543 0.220 -2.632
36 HB2 CYS 5 2HB CYS 5 1.659 -0.270 -0.516
37 HB3 CYS 5 1HB CYS 5 1.640 1.437 -0.077
38 H CYS 6 H CYS 6 1.315 3.361 -1.006
39 HA CYS 6 HA CYS 6 -1.293 4.493 -1.382
40 HB2 CYS 6 2HB CYS 6 1.348 5.997 -1.264
41 HB3 CYS 6 1HB CYS 6 -0.237 6.566 -0.752
42 H LYS 7 H LYS 7 1.568 4.403 -3.482
43 HA LYS 7 HA LYS 7 0.756 6.318 -5.436
44 HB2 LYS 7 2HB LYS 7 2.577 3.977 -5.222
45 HB3 LYS 7 1HB LYS 7 2.146 4.463 -6.858
46 HG2 LYS 7 2HG LYS 7 3.176 6.394 -4.767
47 HG3 LYS 7 1HG LYS 7 4.217 5.588 -5.940
48 HD2 LYS 7 2HD LYS 7 1.882 7.415 -6.596
49 HD3 LYS 7 1HD LYS 7 3.586 7.825 -6.755
50 HE2 LYS 7 2HE LYS 7 3.506 7.004 -8.867
51 HE3 LYS 7 1HE LYS 7 3.254 5.391 -8.174
52 HZ1 LYS 7 3HZ LYS 7 0.898 5.763 -8.105
53 HZ2 LYS 7 1HZ LYS 7 1.421 6.138 -9.677
54 HZ3 LYS 7 2HZ LYS 7 1.077 7.382 -8.575
55 H ASN 8 H ASN 8 -0.505 3.169 -4.728
56 HA ASN 8 HA ASN 8 -1.950 3.113 -7.354
57 HB2 ASN 8 2HB ASN 8 -0.498 1.178 -5.703
58 HB3 ASN 8 1HB ASN 8 -2.067 0.591 -6.226
59 HD21 ASN 8 1HD2 ASN 8 1.132 0.989 -7.200
60 HD22 ASN 8 2HD2 ASN 8 0.900 0.744 -8.850
61 H GLY 9 H GLY 9 -2.407 3.432 -3.959
62 HA2 GLY 9 2HA GLY 9 -4.365 3.569 -2.676
63 HA3 GLY 9 1HA GLY 9 -5.238 3.758 -4.195
64 H LYS 10 H LYS 10 -6.768 2.199 -4.421
65 HA LYS 10 HA LYS 10 -6.946 -0.175 -2.889
66 HB2 LYS 10 2HB LYS 10 -8.621 -0.825 -4.623
67 HB3 LYS 10 1HB LYS 10 -8.825 0.833 -4.071
68 HG2 LYS 10 2HG LYS 10 -8.846 1.343 -6.275
69 HG3 LYS 10 1HG LYS 10 -7.095 1.170 -6.173
70 HD2 LYS 10 2HD LYS 10 -7.092 -0.809 -7.318
71 HD3 LYS 10 1HD LYS 10 -8.569 -1.369 -6.541
72 HE2 LYS 10 2HE LYS 10 -8.638 -0.834 -9.101
73 HE3 LYS 10 1HE LYS 10 -9.961 -0.231 -8.091
74 HZ1 LYS 10 3HZ LYS 10 -8.798 1.431 -9.623
75 HZ2 LYS 10 1HZ LYS 10 -7.506 1.371 -8.543
76 HZ3 LYS 10 2HZ LYS 10 -9.033 1.898 -8.012
77 H ARG 11 H ARG 11 -5.110 0.448 -5.830
78 HA ARG 11 HA ARG 11 -4.699 -2.352 -6.507
79 HB2 ARG 11 2HB ARG 11 -3.347 0.253 -7.258
80 HB3 ARG 11 1HB ARG 11 -2.827 -1.298 -7.902
81 HG2 ARG 11 2HG ARG 11 -5.295 -1.648 -8.564
82 HG3 ARG 11 1HG ARG 11 -5.480 0.081 -8.279
83 HD2 ARG 11 2HD ARG 11 -4.957 -0.082 -10.595
84 HD3 ARG 11 1HD ARG 11 -3.410 0.342 -9.836
85 HE ARG 11 HE ARG 11 -3.437 -2.424 -9.723
86 HH11 ARG 11 1HH2 ARG 11 -3.910 -0.074 -12.244
87 HH12 ARG 11 2HH2 ARG 11 -3.238 -1.075 -13.480
88 HH21 ARG 11 1HH1 ARG 11 -2.536 -3.727 -11.342
89 HH22 ARG 11 2HH1 ARG 11 -2.465 -3.160 -12.966
90 H GLY 12 H GLY 12 -3.390 -0.268 -4.126
91 HA2 GLY 12 2HA GLY 12 -0.905 -1.856 -3.869
92 HA3 GLY 12 1HA GLY 12 -1.267 -0.373 -2.994
93 H CYS 13 H CYS 13 -3.890 -2.609 -3.026
94 HA CYS 13 HA CYS 13 -3.517 -3.062 -0.136
95 HB2 CYS 13 2HB CYS 13 -5.640 -2.972 -2.075
96 HB3 CYS 13 1HB CYS 13 -5.766 -4.453 -1.132
97 H GLY 14 H GLY 14 -2.079 -4.641 0.336
98 HA2 GLY 14 2HA GLY 14 -2.658 -7.394 -0.234
99 HA3 GLY 14 1HA GLY 14 -1.312 -6.846 -1.236
100 H ARG 15 H ARG 15 -0.883 -8.823 0.712
101 HA ARG 15 HA ARG 15 -0.135 -8.082 3.296
102 HB2 ARG 15 2HB ARG 15 1.597 -9.905 3.049
103 HB3 ARG 15 1HB ARG 15 -0.013 -10.374 2.514
104 HG2 ARG 15 2HG ARG 15 0.574 -10.228 0.235
105 HG3 ARG 15 1HG ARG 15 2.000 -9.253 0.573
106 HD2 ARG 15 2HD ARG 15 3.037 -11.282 0.280
107 HD3 ARG 15 1HD ARG 15 2.657 -11.436 2.005
108 HE ARG 15 HE ARG 15 0.427 -12.474 1.157
109 HH11 ARG 15 1HH2 ARG 15 3.490 -12.724 -0.503
110 HH12 ARG 15 2HH2 ARG 15 3.052 -14.172 -1.337
111 HH21 ARG 15 1HH1 ARG 15 -0.117 -14.377 0.101
112 HH22 ARG 15 2HH1 ARG 15 1.007 -15.119 -0.986
113 H TRP 16 H TRP 16 1.646 -7.538 0.288
114 HA TRP 16 HA TRP 16 4.136 -6.622 1.249
115 HB2 TRP 16 2HB TRP 16 3.292 -7.021 -1.122
116 HB3 TRP 16 1HB TRP 16 2.511 -5.443 -1.027
117 HD1 TRP 16 HD TRP 16 5.935 -7.104 -1.051
118 HE1 TRP 16 1HE TRP 16 7.707 -5.367 -1.655
119 HE3 TRP 16 3HE TRP 16 3.063 -2.862 -0.967
120 HZ2 TRP 16 2HZ TRP 16 7.898 -2.527 -2.067
121 HZ3 TRP 16 3HZ TRP 16 4.085 -0.665 -1.482
122 HH2 TRP 16 HH TRP 16 6.488 -0.494 -2.033
123 H CYS 17 H CYS 17 1.352 -4.535 0.334
124 HA CYS 17 HA CYS 17 2.402 -2.192 1.633
125 HB2 CYS 17 2HB CYS 17 0.716 -2.089 -0.125
126 HB3 CYS 17 1HB CYS 17 -0.389 -3.047 0.842
127 H ARG 18 H ARG 18 -0.001 -4.645 2.651
128 HA ARG 18 HA ARG 18 -0.802 -3.675 5.153
129 HB2 ARG 18 2HB ARG 18 -0.538 -6.227 3.789
130 HB3 ARG 18 1HB ARG 18 -0.218 -6.418 5.510
131 HG2 ARG 18 2HG ARG 18 -2.350 -5.453 6.091
132 HG3 ARG 18 1HG ARG 18 -2.632 -4.953 4.424
133 HD2 ARG 18 2HD ARG 18 -3.926 -6.988 4.915
134 HD3 ARG 18 1HD ARG 18 -2.658 -7.360 3.734
135 HE ARG 18 HE ARG 18 -1.388 -7.847 6.117
136 HH11 ARG 18 1HH2 ARG 18 -4.466 -8.827 4.798
137 HH12 ARG 18 2HH2 ARG 18 -4.483 -10.334 5.643
138 HH21 ARG 18 1HH1 ARG 18 -1.444 -9.798 7.237
139 HH22 ARG 18 2HH1 ARG 18 -2.777 -10.879 7.034
140 H ASP 19 H ASP 19 2.259 -5.344 4.361
141 HA ASP 19 HA ASP 19 3.249 -4.969 7.140
142 HB2 ASP 19 2HB ASP 19 3.525 -6.874 5.077
143 HB3 ASP 19 1HB ASP 19 5.111 -6.112 5.239
144 H HIS 20 H HIS 20 4.059 -3.974 3.806
145 HA HIS 20 HA HIS 20 6.384 -2.407 4.720
146 HB2 HIS 20 2HB HIS 20 5.043 -2.856 2.039
147 HB3 HIS 20 1HB HIS 20 6.581 -2.026 2.251
148 HD1 HIS 20 1HD HIS 20 4.988 -5.441 2.772
149 HD2 HIS 20 2HD HIS 20 8.772 -3.742 2.507
150 HE1 HIS 20 1HE HIS 20 6.637 -7.364 2.717
151 H SER 21 H SER 21 2.989 -1.710 4.175
152 HA SER 21 HA SER 21 3.612 1.171 4.534
153 HB2 SER 21 2HB SER 21 3.003 -0.155 2.029
154 HB3 SER 21 1HB SER 21 1.793 1.067 2.387
155 HG SER 21 HG SER 21 4.476 1.740 2.819
156 H ARG 22 H ARG 22 2.175 1.840 6.105
157 HA ARG 22 HA ARG 22 -0.400 0.506 6.558
158 HB2 ARG 22 2HB ARG 22 1.306 2.577 7.765
159 HB3 ARG 22 1HB ARG 22 -0.403 2.995 7.837
160 HG2 ARG 22 2HG ARG 22 -0.391 1.714 9.715
161 HG3 ARG 22 1HG ARG 22 -0.501 0.373 8.575
162 HD2 ARG 22 2HD ARG 22 2.245 1.386 9.075
163 HD3 ARG 22 1HD ARG 22 1.471 0.562 10.444
164 HE ARG 22 HE ARG 22 0.865 -1.179 8.488
165 HH11 ARG 22 1HH2 ARG 22 3.829 0.594 9.016
166 HH12 ARG 22 2HH2 ARG 22 4.833 -0.662 8.365
167 HH21 ARG 22 1HH1 ARG 22 2.169 -2.796 7.645
168 HH22 ARG 22 2HH1 ARG 22 3.896 -2.587 7.611
169 H CYS 23 H CYS 23 -0.855 0.905 4.097
170 HA CYS 23 HA CYS 23 -2.270 3.542 3.761
171 HB2 CYS 23 2HB CYS 23 0.125 2.959 2.686
172 HB3 CYS 23 1HB CYS 23 -0.892 2.184 1.483
173 H CYS 24 H CYS 24 -3.019 0.500 4.232
174 HA CYS 24 HA CYS 24 -5.318 0.501 2.397
175 HB2 CYS 24 2HB CYS 24 -2.897 -0.627 1.562
176 HB3 CYS 24 1HB CYS 24 -3.879 -2.003 2.071
177 HN1 NH2 25 2H CYS 24 -6.742 -1.318 5.074
178 HN2 NH2 25 1H CYS 24 -6.882 -0.039 3.968
Start of MODEL 18
1 H1 VAL 1 1HT VAL 1 10.474 0.837 3.030
2 H2 VAL 1 2HT VAL 1 9.606 2.257 2.738
3 H3 VAL 1 3HT VAL 1 11.055 1.976 1.914
4 HA VAL 1 HA VAL 1 9.701 1.298 0.256
5 HB VAL 1 HB VAL 1 9.892 -0.973 2.260
6 HG11 VAL 1 2HG1 VAL 1 8.055 -1.637 0.879
7 HG12 VAL 1 3HG1 VAL 1 9.469 -2.468 0.230
8 HG13 VAL 1 1HG1 VAL 1 8.842 -1.032 -0.581
9 HG21 VAL 1 1HG2 VAL 1 11.575 -1.722 0.438
10 HG22 VAL 1 2HG2 VAL 1 12.042 -0.377 1.476
11 HG23 VAL 1 3HG2 VAL 1 11.453 -0.069 -0.158
12 H GLY 2 H GLY 2 7.488 0.425 -0.399
13 HA2 GLY 2 2HA GLY 2 5.208 -0.185 0.354
14 HA3 GLY 2 1HA GLY 2 5.422 0.892 1.708
15 H GLU 3 H GLU 3 6.730 2.832 -0.399
16 HA GLU 3 HA GLU 3 4.682 4.672 -0.720
17 HB2 GLU 3 2HB GLU 3 5.989 5.397 -2.790
18 HB3 GLU 3 1HB GLU 3 6.933 5.218 -1.315
19 HG2 GLU 3 2HG GLU 3 7.473 2.852 -2.075
20 HG3 GLU 3 1HG GLU 3 6.751 3.272 -3.628
21 H ARG 4 H ARG 4 5.362 1.970 -2.917
22 HA ARG 4 HA ARG 4 3.552 2.593 -4.983
23 HB2 ARG 4 2HB ARG 4 4.436 0.668 -5.755
24 HB3 ARG 4 1HB ARG 4 5.291 0.522 -4.227
25 HG2 ARG 4 2HG ARG 4 4.080 -1.286 -3.676
26 HG3 ARG 4 1HG ARG 4 2.572 -0.418 -3.915
27 HD2 ARG 4 2HD ARG 4 3.088 -0.788 -6.479
28 HD3 ARG 4 1HD ARG 4 4.111 -2.096 -5.875
29 HE ARG 4 HE ARG 4 1.163 -1.953 -5.618
30 HH11 ARG 4 1HH2 ARG 4 4.169 -3.456 -4.670
31 HH12 ARG 4 2HH2 ARG 4 3.425 -4.946 -4.217
32 HH21 ARG 4 1HH1 ARG 4 0.187 -3.876 -4.974
33 HH22 ARG 4 2HH1 ARG 4 1.157 -5.186 -4.375
34 H CYS 5 H CYS 5 2.876 1.341 -1.758
35 HA CYS 5 HA CYS 5 0.266 0.283 -2.304
36 HB2 CYS 5 2HB CYS 5 1.437 -0.264 -0.271
37 HB3 CYS 5 1HB CYS 5 1.580 1.439 0.171
38 H CYS 6 H CYS 6 0.979 3.344 -0.558
39 HA CYS 6 HA CYS 6 -1.601 4.474 -0.745
40 HB2 CYS 6 2HB CYS 6 0.923 5.152 0.219
41 HB3 CYS 6 1HB CYS 6 0.599 6.395 -0.985
42 H LYS 7 H LYS 7 0.994 4.382 -3.149
43 HA LYS 7 HA LYS 7 -0.181 6.348 -4.949
44 HB2 LYS 7 2HB LYS 7 2.154 4.573 -4.764
45 HB3 LYS 7 1HB LYS 7 1.549 4.742 -6.411
46 HG2 LYS 7 2HG LYS 7 1.780 7.234 -4.794
47 HG3 LYS 7 1HG LYS 7 3.282 6.490 -5.338
48 HD2 LYS 7 2HD LYS 7 0.945 7.144 -7.159
49 HD3 LYS 7 1HD LYS 7 2.360 8.173 -6.953
50 HE2 LYS 7 2HE LYS 7 2.599 5.264 -7.810
51 HE3 LYS 7 1HE LYS 7 2.449 6.596 -8.973
52 HZ1 LYS 7 3HZ LYS 7 4.359 7.670 -7.984
53 HZ2 LYS 7 1HZ LYS 7 4.784 6.091 -8.425
54 HZ3 LYS 7 2HZ LYS 7 4.484 6.462 -6.801
55 H ASN 8 H ASN 8 -0.042 2.798 -4.869
56 HA ASN 8 HA ASN 8 -1.579 2.477 -7.326
57 HB2 ASN 8 2HB ASN 8 -0.332 0.774 -5.233
58 HB3 ASN 8 1HB ASN 8 -1.579 0.053 -6.220
59 HD21 ASN 8 1HD2 ASN 8 1.682 1.122 -6.196
60 HD22 ASN 8 2HD2 ASN 8 2.029 0.721 -7.801
61 H GLY 9 H GLY 9 -2.391 2.581 -3.915
62 HA2 GLY 9 2HA GLY 9 -4.490 2.515 -2.857
63 HA3 GLY 9 1HA GLY 9 -5.193 2.906 -4.424
64 H LYS 10 H LYS 10 -6.207 1.304 -5.550
65 HA LYS 10 HA LYS 10 -6.961 -1.164 -4.343
66 HB2 LYS 10 2HB LYS 10 -6.933 -0.004 -7.116
67 HB3 LYS 10 1HB LYS 10 -7.366 -1.703 -6.911
68 HG2 LYS 10 2HG LYS 10 -9.308 -1.213 -5.745
69 HG3 LYS 10 1HG LYS 10 -8.668 0.305 -5.116
70 HD2 LYS 10 2HD LYS 10 -9.795 1.379 -6.739
71 HD3 LYS 10 1HD LYS 10 -8.703 0.629 -7.903
72 HE2 LYS 10 2HE LYS 10 -11.232 -0.729 -6.885
73 HE3 LYS 10 1HE LYS 10 -11.153 0.191 -8.398
74 HZ1 LYS 10 3HZ LYS 10 -10.659 -2.045 -8.955
75 HZ2 LYS 10 1HZ LYS 10 -9.588 -2.219 -7.662
76 HZ3 LYS 10 2HZ LYS 10 -9.171 -1.224 -8.974
77 H ARG 11 H ARG 11 -4.241 -0.312 -6.439
78 HA ARG 11 HA ARG 11 -3.307 -3.116 -6.629
79 HB2 ARG 11 2HB ARG 11 -2.339 -0.427 -7.613
80 HB3 ARG 11 1HB ARG 11 -1.427 -1.913 -7.872
81 HG2 ARG 11 2HG ARG 11 -3.386 -2.895 -9.015
82 HG3 ARG 11 1HG ARG 11 -4.276 -1.392 -8.764
83 HD2 ARG 11 2HD ARG 11 -3.447 -0.864 -10.840
84 HD3 ARG 11 1HD ARG 11 -1.987 -0.441 -9.930
85 HE ARG 11 HE ARG 11 -2.458 -3.010 -11.366
86 HH11 ARG 11 1HH2 ARG 11 -0.344 -0.921 -9.515
87 HH12 ARG 11 2HH2 ARG 11 1.074 -1.819 -9.922
88 HH21 ARG 11 1HH1 ARG 11 -0.610 -4.147 -11.877
89 HH22 ARG 11 2HH1 ARG 11 0.919 -3.660 -11.244
90 H GLY 12 H GLY 12 -3.153 -0.752 -4.303
91 HA2 GLY 12 2HA GLY 12 -0.415 -1.468 -3.398
92 HA3 GLY 12 1HA GLY 12 -1.353 -0.088 -2.823
93 H CYS 13 H CYS 13 -3.770 -1.201 -2.179
94 HA CYS 13 HA CYS 13 -3.393 -2.324 0.391
95 HB2 CYS 13 2HB CYS 13 -5.579 -2.000 -1.595
96 HB3 CYS 13 1HB CYS 13 -5.852 -3.241 -0.372
97 H GLY 14 H GLY 14 -2.675 -4.338 0.972
98 HA2 GLY 14 2HA GLY 14 -3.548 -6.807 0.196
99 HA3 GLY 14 1HA GLY 14 -2.364 -6.430 -1.056
100 H ARG 15 H ARG 15 -1.663 -8.541 0.281
101 HA ARG 15 HA ARG 15 -0.452 -8.515 2.779
102 HB2 ARG 15 2HB ARG 15 1.157 -10.192 1.669
103 HB3 ARG 15 1HB ARG 15 -0.563 -10.544 1.556
104 HG2 ARG 15 2HG ARG 15 -0.589 -10.268 -0.708
105 HG3 ARG 15 1HG ARG 15 0.500 -8.888 -0.651
106 HD2 ARG 15 2HD ARG 15 1.638 -10.742 -1.777
107 HD3 ARG 15 1HD ARG 15 2.406 -10.484 -0.201
108 HE ARG 15 HE ARG 15 0.363 -12.607 -0.763
109 HH11 ARG 15 1HH2 ARG 15 3.050 -11.364 1.094
110 HH12 ARG 15 2HH2 ARG 15 3.195 -12.794 2.049
111 HH21 ARG 15 1HH1 ARG 15 0.524 -14.431 0.515
112 HH22 ARG 15 2HH1 ARG 15 1.750 -14.540 1.733
113 H TRP 16 H TRP 16 1.041 -7.304 -0.252
114 HA TRP 16 HA TRP 16 3.638 -6.760 0.849
115 HB2 TRP 16 2HB TRP 16 2.931 -6.871 -1.568
116 HB3 TRP 16 1HB TRP 16 2.160 -5.296 -1.358
117 HD1 TRP 16 HD TRP 16 5.578 -6.988 -1.374
118 HE1 TRP 16 1HE TRP 16 7.390 -5.224 -1.695
119 HE3 TRP 16 3HE TRP 16 2.744 -2.759 -1.025
120 HZ2 TRP 16 2HZ TRP 16 7.623 -2.367 -1.823
121 HZ3 TRP 16 3HZ TRP 16 3.791 -0.533 -1.252
122 HH2 TRP 16 HH TRP 16 6.225 -0.329 -1.650
123 H CYS 17 H CYS 17 1.022 -4.424 0.078
124 HA CYS 17 HA CYS 17 2.155 -2.214 1.458
125 HB2 CYS 17 2HB CYS 17 0.319 -1.990 -0.080
126 HB3 CYS 17 1HB CYS 17 -0.701 -3.022 0.904
127 H ARG 18 H ARG 18 -0.045 -4.751 2.653
128 HA ARG 18 HA ARG 18 -0.528 -3.699 5.245
129 HB2 ARG 18 2HB ARG 18 -1.165 -5.963 3.855
130 HB3 ARG 18 1HB ARG 18 -0.054 -6.614 5.061
131 HG2 ARG 18 2HG ARG 18 -1.359 -5.556 6.856
132 HG3 ARG 18 1HG ARG 18 -2.470 -4.879 5.665
133 HD2 ARG 18 2HD ARG 18 -1.980 -7.855 5.746
134 HD3 ARG 18 1HD ARG 18 -3.152 -7.106 6.845
135 HE ARG 18 HE ARG 18 -3.433 -7.359 3.949
136 HH11 ARG 18 1HH2 ARG 18 -4.281 -5.512 6.776
137 HH12 ARG 18 2HH2 ARG 18 -5.757 -4.928 6.103
138 HH21 ARG 18 1HH1 ARG 18 -5.361 -6.570 3.070
139 HH22 ARG 18 2HH1 ARG 18 -6.370 -5.525 4.010
140 H ASP 19 H ASP 19 2.218 -5.713 4.122
141 HA ASP 19 HA ASP 19 3.486 -5.453 6.801
142 HB2 ASP 19 2HB ASP 19 3.246 -7.526 5.115
143 HB3 ASP 19 1HB ASP 19 4.778 -6.868 4.528
144 H HIS 20 H HIS 20 3.808 -4.149 3.565
145 HA HIS 20 HA HIS 20 6.485 -2.983 4.260
146 HB2 HIS 20 2HB HIS 20 5.027 -3.369 1.623
147 HB3 HIS 20 1HB HIS 20 6.651 -2.711 1.786
148 HD1 HIS 20 1HD HIS 20 4.697 -5.907 2.419
149 HD2 HIS 20 2HD HIS 20 8.652 -4.653 2.031
150 HE1 HIS 20 1HE HIS 20 6.109 -8.007 2.296
151 H SER 21 H SER 21 3.187 -2.046 4.084
152 HA SER 21 HA SER 21 4.030 0.793 3.599
153 HB2 SER 21 2HB SER 21 1.614 -0.737 2.621
154 HB3 SER 21 1HB SER 21 1.853 0.978 2.374
155 HG SER 21 HG SER 21 3.800 -0.913 1.561
156 H ARG 22 H ARG 22 2.411 2.371 4.404
157 HA ARG 22 HA ARG 22 0.782 1.392 6.733
158 HB2 ARG 22 2HB ARG 22 2.482 3.914 6.519
159 HB3 ARG 22 1HB ARG 22 1.546 3.418 7.931
160 HG2 ARG 22 2HG ARG 22 3.195 1.208 7.181
161 HG3 ARG 22 1HG ARG 22 4.219 2.645 7.200
162 HD2 ARG 22 2HD ARG 22 4.066 1.467 9.445
163 HD3 ARG 22 1HD ARG 22 3.537 3.157 9.496
164 HE ARG 22 HE ARG 22 1.315 2.423 9.826
165 HH11 ARG 22 1HH2 ARG 22 3.335 -0.181 8.697
166 HH12 ARG 22 2HH2 ARG 22 2.158 -1.399 9.023
167 HH21 ARG 22 1HH1 ARG 22 -0.228 0.828 10.227
168 HH22 ARG 22 2HH1 ARG 22 0.134 -0.828 9.893
169 H CYS 23 H CYS 23 -0.327 1.684 4.222
170 HA CYS 23 HA CYS 23 -2.129 4.012 4.567
171 HB2 CYS 23 2HB CYS 23 -0.275 4.927 3.306
172 HB3 CYS 23 1HB CYS 23 -0.239 3.525 2.238
173 H CYS 24 H CYS 24 -3.134 1.610 4.980
174 HA CYS 24 HA CYS 24 -5.062 1.143 2.908
175 HB2 CYS 24 2HB CYS 24 -2.445 -0.049 2.593
176 HB3 CYS 24 1HB CYS 24 -3.663 -1.312 2.747
177 HN1 NH2 25 2H CYS 24 -5.646 -0.189 6.416
178 HN2 NH2 25 1H CYS 24 -5.128 1.310 5.812
Start of MODEL 19
1 H1 VAL 1 1HT VAL 1 8.935 3.223 2.760
2 H2 VAL 1 2HT VAL 1 10.528 2.752 2.418
3 H3 VAL 1 3HT VAL 1 9.669 2.013 3.682
4 HA VAL 1 HA VAL 1 9.429 1.601 0.777
5 HB VAL 1 HB VAL 1 10.700 0.179 2.518
6 HG11 VAL 1 2HG1 VAL 1 9.113 -1.502 3.653
7 HG12 VAL 1 3HG1 VAL 1 7.835 -0.325 3.350
8 HG13 VAL 1 1HG1 VAL 1 9.212 0.112 4.367
9 HG21 VAL 1 1HG2 VAL 1 8.748 -1.695 1.378
10 HG22 VAL 1 2HG2 VAL 1 10.473 -1.526 1.050
11 HG23 VAL 1 3HG2 VAL 1 9.316 -0.496 0.211
12 H GLY 2 H GLY 2 7.457 0.524 0.021
13 HA2 GLY 2 2HA GLY 2 5.160 -0.198 0.430
14 HA3 GLY 2 1HA GLY 2 5.060 0.969 1.722
15 H GLU 3 H GLU 3 6.639 2.488 -0.817
16 HA GLU 3 HA GLU 3 4.629 4.375 -1.342
17 HB2 GLU 3 2HB GLU 3 5.986 4.884 -3.355
18 HB3 GLU 3 1HB GLU 3 7.013 4.587 -1.955
19 HG2 GLU 3 2HG GLU 3 7.181 2.163 -2.748
20 HG3 GLU 3 1HG GLU 3 6.434 2.697 -4.252
21 H ARG 4 H ARG 4 5.261 1.310 -3.000
22 HA ARG 4 HA ARG 4 3.490 1.497 -5.168
23 HB2 ARG 4 2HB ARG 4 4.367 -0.563 -5.433
24 HB3 ARG 4 1HB ARG 4 5.052 -0.458 -3.817
25 HG2 ARG 4 2HG ARG 4 3.764 -2.386 -3.662
26 HG3 ARG 4 1HG ARG 4 2.638 -1.179 -3.046
27 HD2 ARG 4 2HD ARG 4 1.772 -0.949 -5.452
28 HD3 ARG 4 1HD ARG 4 2.703 -2.415 -5.820
29 HE ARG 4 HE ARG 4 0.995 -2.649 -3.437
30 HH11 ARG 4 1HH2 ARG 4 1.198 -3.006 -6.909
31 HH12 ARG 4 2HH2 ARG 4 -0.043 -4.203 -6.971
32 HH21 ARG 4 1HH1 ARG 4 -0.632 -4.205 -3.552
33 HH22 ARG 4 2HH1 ARG 4 -1.084 -4.875 -5.083
34 H CYS 5 H CYS 5 2.751 0.873 -1.763
35 HA CYS 5 HA CYS 5 0.020 0.055 -2.258
36 HB2 CYS 5 2HB CYS 5 1.447 -0.399 -0.209
37 HB3 CYS 5 1HB CYS 5 1.163 1.280 0.258
38 H CYS 6 H CYS 6 1.443 3.161 -1.104
39 HA CYS 6 HA CYS 6 -1.086 4.573 -1.189
40 HB2 CYS 6 2HB CYS 6 1.607 5.009 -0.379
41 HB3 CYS 6 1HB CYS 6 1.203 6.294 -1.512
42 H LYS 7 H LYS 7 1.581 4.122 -3.506
43 HA LYS 7 HA LYS 7 0.862 6.028 -5.481
44 HB2 LYS 7 2HB LYS 7 2.182 3.314 -5.502
45 HB3 LYS 7 1HB LYS 7 1.936 4.200 -7.006
46 HG2 LYS 7 2HG LYS 7 2.989 6.158 -5.421
47 HG3 LYS 7 1HG LYS 7 3.821 4.737 -4.795
48 HD2 LYS 7 2HD LYS 7 3.647 5.358 -7.755
49 HD3 LYS 7 1HD LYS 7 4.977 5.917 -6.740
50 HE2 LYS 7 2HE LYS 7 4.555 3.113 -6.228
51 HE3 LYS 7 1HE LYS 7 4.705 3.367 -7.975
52 HZ1 LYS 7 3HZ LYS 7 6.897 3.189 -7.110
53 HZ2 LYS 7 1HZ LYS 7 6.585 4.281 -5.856
54 HZ3 LYS 7 2HZ LYS 7 6.655 4.828 -7.465
55 H ASN 8 H ASN 8 -0.218 2.684 -5.048
56 HA ASN 8 HA ASN 8 -2.139 2.944 -7.296
57 HB2 ASN 8 2HB ASN 8 -0.763 0.829 -5.768
58 HB3 ASN 8 1HB ASN 8 -2.405 0.440 -6.244
59 HD21 ASN 8 1HD2 ASN 8 0.788 0.560 -7.350
60 HD22 ASN 8 2HD2 ASN 8 0.456 0.359 -8.999
61 H GLY 9 H GLY 9 -2.109 2.993 -3.820
62 HA2 GLY 9 2HA GLY 9 -3.840 3.331 -2.283
63 HA3 GLY 9 1HA GLY 9 -4.865 3.770 -3.649
64 H LYS 10 H LYS 10 -6.516 2.365 -4.091
65 HA LYS 10 HA LYS 10 -6.984 -0.012 -2.581
66 HB2 LYS 10 2HB LYS 10 -8.059 1.301 -5.043
67 HB3 LYS 10 1HB LYS 10 -8.518 -0.379 -4.757
68 HG2 LYS 10 2HG LYS 10 -10.139 0.508 -3.452
69 HG3 LYS 10 1HG LYS 10 -8.849 0.695 -2.267
70 HD2 LYS 10 2HD LYS 10 -8.396 2.969 -3.464
71 HD3 LYS 10 1HD LYS 10 -10.020 2.767 -4.116
72 HE2 LYS 10 2HE LYS 10 -10.274 4.037 -2.094
73 HE3 LYS 10 1HE LYS 10 -10.789 2.387 -1.692
74 HZ1 LYS 10 3HZ LYS 10 -7.939 2.870 -1.455
75 HZ2 LYS 10 1HZ LYS 10 -8.992 2.056 -0.399
76 HZ3 LYS 10 2HZ LYS 10 -8.892 3.745 -0.363
77 H ARG 11 H ARG 11 -5.234 0.539 -5.577
78 HA ARG 11 HA ARG 11 -4.955 -2.331 -6.189
79 HB2 ARG 11 2HB ARG 11 -3.769 0.225 -7.313
80 HB3 ARG 11 1HB ARG 11 -3.384 -1.374 -7.940
81 HG2 ARG 11 2HG ARG 11 -5.958 -1.676 -8.140
82 HG3 ARG 11 1HG ARG 11 -6.014 0.084 -8.016
83 HD2 ARG 11 2HD ARG 11 -5.888 -0.559 -10.384
84 HD3 ARG 11 1HD ARG 11 -4.369 0.220 -9.902
85 HE ARG 11 HE ARG 11 -4.673 -2.765 -9.856
86 HH11 ARG 11 1HH2 ARG 11 -2.891 0.128 -10.698
87 HH12 ARG 11 2HH2 ARG 11 -1.539 -0.750 -11.300
88 HH21 ARG 11 1HH1 ARG 11 -2.876 -3.878 -10.636
89 HH22 ARG 11 2HH1 ARG 11 -1.515 -3.002 -11.257
90 H GLY 12 H GLY 12 -3.410 -0.031 -4.212
91 HA2 GLY 12 2HA GLY 12 -0.745 -1.204 -4.306
92 HA3 GLY 12 1HA GLY 12 -1.296 0.047 -3.195
93 H CYS 13 H CYS 13 -3.652 -1.687 -2.408
94 HA CYS 13 HA CYS 13 -2.664 -2.822 -0.038
95 HB2 CYS 13 2HB CYS 13 -5.095 -2.966 -1.714
96 HB3 CYS 13 1HB CYS 13 -4.881 -4.339 -0.628
97 H GLY 14 H GLY 14 -2.443 -5.125 0.564
98 HA2 GLY 14 2HA GLY 14 -2.400 -7.446 -0.759
99 HA3 GLY 14 1HA GLY 14 -1.018 -6.658 -1.531
100 H ARG 15 H ARG 15 -0.734 -9.015 0.074
101 HA ARG 15 HA ARG 15 -0.122 -8.749 2.778
102 HB2 ARG 15 2HB ARG 15 0.002 -10.849 1.563
103 HB3 ARG 15 1HB ARG 15 1.288 -10.228 0.529
104 HG2 ARG 15 2HG ARG 15 2.329 -11.626 2.177
105 HG3 ARG 15 1HG ARG 15 2.700 -9.959 2.611
106 HD2 ARG 15 2HD ARG 15 2.020 -11.039 4.657
107 HD3 ARG 15 1HD ARG 15 0.634 -10.064 4.144
108 HE ARG 15 HE ARG 15 -0.528 -12.061 3.533
109 HH11 ARG 15 1HH2 ARG 15 2.822 -12.670 4.255
110 HH12 ARG 15 2HH2 ARG 15 2.618 -14.380 4.349
111 HH21 ARG 15 1HH1 ARG 15 -0.797 -14.297 3.681
112 HH22 ARG 15 2HH1 ARG 15 0.574 -15.308 4.019
113 H TRP 16 H TRP 16 1.952 -7.813 0.013
114 HA TRP 16 HA TRP 16 4.256 -7.038 1.527
115 HB2 TRP 16 2HB TRP 16 4.079 -7.340 -0.955
116 HB3 TRP 16 1HB TRP 16 3.145 -5.842 -1.025
117 HD1 TRP 16 HD TRP 16 6.633 -7.150 -0.140
118 HE1 TRP 16 1HE TRP 16 8.301 -5.230 -0.306
119 HE3 TRP 16 3HE TRP 16 3.432 -3.262 -0.991
120 HZ2 TRP 16 2HZ TRP 16 8.310 -2.414 -0.756
121 HZ3 TRP 16 3HZ TRP 16 4.315 -0.981 -1.292
122 HH2 TRP 16 HH TRP 16 6.742 -0.554 -1.184
123 H CYS 17 H CYS 17 1.745 -4.879 0.101
124 HA CYS 17 HA CYS 17 2.478 -2.531 1.512
125 HB2 CYS 17 2HB CYS 17 0.929 -2.253 -0.236
126 HB3 CYS 17 1HB CYS 17 -0.060 -3.601 0.299
127 H ARG 18 H ARG 18 0.102 -5.036 2.345
128 HA ARG 18 HA ARG 18 -0.974 -4.136 4.730
129 HB2 ARG 18 2HB ARG 18 -0.031 -6.788 3.692
130 HB3 ARG 18 1HB ARG 18 -0.595 -6.705 5.355
131 HG2 ARG 18 2HG ARG 18 -2.749 -5.839 4.643
132 HG3 ARG 18 1HG ARG 18 -2.183 -5.695 2.977
133 HD2 ARG 18 2HD ARG 18 -3.604 -7.779 3.520
134 HD3 ARG 18 1HD ARG 18 -2.055 -8.085 2.719
135 HE ARG 18 HE ARG 18 -1.156 -8.892 4.795
136 HH11 ARG 18 1HH2 ARG 18 -4.383 -7.602 5.121
137 HH12 ARG 18 2HH2 ARG 18 -4.627 -8.280 6.691
138 HH21 ARG 18 1HH1 ARG 18 -1.489 -9.774 6.858
139 HH22 ARG 18 2HH1 ARG 18 -2.996 -9.523 7.668
140 H ASP 19 H ASP 19 2.227 -5.732 4.378
141 HA ASP 19 HA ASP 19 2.890 -5.109 7.218
142 HB2 ASP 19 2HB ASP 19 3.264 -7.295 5.705
143 HB3 ASP 19 1HB ASP 19 4.758 -6.452 5.311
144 H HIS 20 H HIS 20 3.900 -4.245 3.935
145 HA HIS 20 HA HIS 20 6.177 -2.608 4.935
146 HB2 HIS 20 2HB HIS 20 5.204 -3.383 2.163
147 HB3 HIS 20 1HB HIS 20 6.716 -2.550 2.502
148 HD1 HIS 20 1HD HIS 20 4.972 -5.853 3.306
149 HD2 HIS 20 2HD HIS 20 8.813 -4.258 3.099
150 HE1 HIS 20 1HE HIS 20 6.572 -7.789 3.639
151 H SER 21 H SER 21 2.884 -1.987 4.180
152 HA SER 21 HA SER 21 3.588 0.853 3.520
153 HB2 SER 21 2HB SER 21 1.450 -0.939 2.358
154 HB3 SER 21 1HB SER 21 1.665 0.749 1.953
155 HG SER 21 HG SER 21 3.824 -1.047 1.694
156 H ARG 22 H ARG 22 2.534 2.321 4.820
157 HA ARG 22 HA ARG 22 0.254 1.367 6.514
158 HB2 ARG 22 2HB ARG 22 1.930 3.910 6.577
159 HB3 ARG 22 1HB ARG 22 0.768 3.420 7.806
160 HG2 ARG 22 2HG ARG 22 3.292 1.902 7.057
161 HG3 ARG 22 1HG ARG 22 3.074 2.879 8.510
162 HD2 ARG 22 2HD ARG 22 1.386 0.447 7.799
163 HD3 ARG 22 1HD ARG 22 2.703 0.455 8.987
164 HE ARG 22 HE ARG 22 0.079 1.794 9.285
165 HH11 ARG 22 1HH2 ARG 22 3.358 1.413 10.404
166 HH12 ARG 22 2HH2 ARG 22 3.013 1.989 11.995
167 HH21 ARG 22 1HH1 ARG 22 -0.369 2.516 11.394
168 HH22 ARG 22 2HH1 ARG 22 0.914 2.628 12.551
169 H CYS 23 H CYS 23 -0.214 1.699 3.748
170 HA CYS 23 HA CYS 23 -2.031 4.078 3.705
171 HB2 CYS 23 2HB CYS 23 0.203 4.348 2.493
172 HB3 CYS 23 1HB CYS 23 -0.313 3.058 1.415
173 H CYS 24 H CYS 24 -2.982 1.572 4.404
174 HA CYS 24 HA CYS 24 -4.857 0.969 2.251
175 HB2 CYS 24 2HB CYS 24 -2.314 -0.312 2.305
176 HB3 CYS 24 1HB CYS 24 -3.509 -1.522 2.769
177 HN1 NH2 25 2H CYS 24 -6.753 -0.587 4.802
178 HN2 NH2 25 1H CYS 24 -6.707 -0.010 3.210
Start of MODEL 20
1 H1 VAL 1 1HT VAL 1 8.929 1.437 3.546
2 H2 VAL 1 2HT VAL 1 9.210 2.652 2.401
3 H3 VAL 1 3HT VAL 1 10.512 1.805 3.071
4 HA VAL 1 HA VAL 1 9.893 1.114 0.756
5 HB VAL 1 HB VAL 1 11.270 -0.257 2.227
6 HG11 VAL 1 2HG1 VAL 1 10.289 -0.484 4.305
7 HG12 VAL 1 3HG1 VAL 1 9.783 -2.030 3.615
8 HG13 VAL 1 1HG1 VAL 1 8.668 -0.662 3.626
9 HG21 VAL 1 1HG2 VAL 1 9.894 -1.266 0.162
10 HG22 VAL 1 2HG2 VAL 1 9.207 -2.276 1.437
11 HG23 VAL 1 3HG2 VAL 1 10.948 -2.272 1.151
12 H GLY 2 H GLY 2 7.639 2.127 0.472
13 HA2 GLY 2 2HA GLY 2 5.690 0.000 0.102
14 HA3 GLY 2 1HA GLY 2 5.235 1.108 1.380
15 H GLU 3 H GLU 3 6.942 1.925 -1.612
16 HA GLU 3 HA GLU 3 5.281 4.196 -2.155
17 HB2 GLU 3 2HB GLU 3 6.529 4.164 -4.344
18 HB3 GLU 3 1HB GLU 3 7.574 4.070 -2.926
19 HG2 GLU 3 2HG GLU 3 7.177 1.431 -3.349
20 HG3 GLU 3 1HG GLU 3 6.996 2.014 -5.002
21 H ARG 4 H ARG 4 5.307 0.929 -3.582
22 HA ARG 4 HA ARG 4 3.316 1.455 -5.563
23 HB2 ARG 4 2HB ARG 4 3.564 -0.793 -6.038
24 HB3 ARG 4 1HB ARG 4 5.053 -0.490 -5.162
25 HG2 ARG 4 2HG ARG 4 4.403 -2.268 -3.914
26 HG3 ARG 4 1HG ARG 4 3.366 -1.097 -3.108
27 HD2 ARG 4 2HD ARG 4 1.874 -2.855 -3.710
28 HD3 ARG 4 1HD ARG 4 1.643 -1.652 -4.990
29 HE ARG 4 HE ARG 4 3.790 -3.556 -5.575
30 HH11 ARG 4 1HH2 ARG 4 0.355 -2.958 -5.708
31 HH12 ARG 4 2HH2 ARG 4 0.117 -3.959 -7.092
32 HH21 ARG 4 1HH1 ARG 4 3.453 -4.883 -7.392
33 HH22 ARG 4 2HH1 ARG 4 1.857 -5.048 -8.047
34 H CYS 5 H CYS 5 2.888 1.334 -2.169
35 HA CYS 5 HA CYS 5 0.233 0.077 -2.336
36 HB2 CYS 5 2HB CYS 5 1.622 -0.404 -0.415
37 HB3 CYS 5 1HB CYS 5 1.802 1.313 -0.061
38 H CYS 6 H CYS 6 0.959 3.068 -0.527
39 HA CYS 6 HA CYS 6 -1.585 4.218 -0.822
40 HB2 CYS 6 2HB CYS 6 0.959 4.884 0.233
41 HB3 CYS 6 1HB CYS 6 0.470 6.249 -0.773
42 H LYS 7 H LYS 7 1.244 4.597 -2.981
43 HA LYS 7 HA LYS 7 0.192 6.624 -4.690
44 HB2 LYS 7 2HB LYS 7 2.165 4.372 -4.954
45 HB3 LYS 7 1HB LYS 7 1.761 5.351 -6.361
46 HG2 LYS 7 2HG LYS 7 2.436 6.799 -3.829
47 HG3 LYS 7 1HG LYS 7 3.759 6.036 -4.714
48 HD2 LYS 7 2HD LYS 7 1.742 7.902 -6.007
49 HD3 LYS 7 1HD LYS 7 3.307 8.435 -5.388
50 HE2 LYS 7 2HE LYS 7 3.215 6.104 -7.307
51 HE3 LYS 7 1HE LYS 7 3.111 7.763 -7.936
52 HZ1 LYS 7 3HZ LYS 7 5.426 6.913 -7.669
53 HZ2 LYS 7 1HZ LYS 7 5.176 6.861 -5.995
54 HZ3 LYS 7 2HZ LYS 7 5.112 8.344 -6.817
55 H ASN 8 H ASN 8 -0.440 3.181 -4.558
56 HA ASN 8 HA ASN 8 -1.960 3.308 -7.115
57 HB2 ASN 8 2HB ASN 8 -0.457 1.317 -5.540
58 HB3 ASN 8 1HB ASN 8 -1.897 0.695 -6.323
59 HD21 ASN 8 1HD2 ASN 8 1.354 1.325 -6.843
60 HD22 ASN 8 2HD2 ASN 8 1.331 1.333 -8.534
61 H GLY 9 H GLY 9 -2.450 3.012 -3.669
62 HA2 GLY 9 2HA GLY 9 -4.439 2.883 -2.420
63 HA3 GLY 9 1HA GLY 9 -5.287 3.368 -3.885
64 H LYS 10 H LYS 10 -6.583 1.845 -4.818
65 HA LYS 10 HA LYS 10 -7.046 -0.722 -3.680
66 HB2 LYS 10 2HB LYS 10 -7.656 0.649 -6.293
67 HB3 LYS 10 1HB LYS 10 -8.043 -1.063 -6.117
68 HG2 LYS 10 2HG LYS 10 -8.979 0.022 -3.749
69 HG3 LYS 10 1HG LYS 10 -9.356 1.280 -4.928
70 HD2 LYS 10 2HD LYS 10 -10.582 -0.295 -6.303
71 HD3 LYS 10 1HD LYS 10 -10.050 -1.650 -5.313
72 HE2 LYS 10 2HE LYS 10 -12.267 -1.196 -4.560
73 HE3 LYS 10 1HE LYS 10 -11.222 -0.424 -3.352
74 HZ1 LYS 10 3HZ LYS 10 -11.361 1.561 -5.034
75 HZ2 LYS 10 1HZ LYS 10 -12.579 1.316 -3.894
76 HZ3 LYS 10 2HZ LYS 10 -12.813 0.804 -5.495
77 H ARG 11 H ARG 11 -4.796 0.338 -6.169
78 HA ARG 11 HA ARG 11 -4.013 -2.388 -6.939
79 HB2 ARG 11 2HB ARG 11 -2.996 0.407 -7.546
80 HB3 ARG 11 1HB ARG 11 -2.289 -1.044 -8.253
81 HG2 ARG 11 2HG ARG 11 -5.247 -0.715 -8.448
82 HG3 ARG 11 1HG ARG 11 -4.234 0.300 -9.475
83 HD2 ARG 11 2HD ARG 11 -4.269 -1.511 -10.881
84 HD3 ARG 11 1HD ARG 11 -3.028 -2.139 -9.781
85 HE ARG 11 HE ARG 11 -5.899 -2.615 -9.118
86 HH11 ARG 11 1HH2 ARG 11 -2.771 -3.820 -10.075
87 HH12 ARG 11 2HH2 ARG 11 -3.151 -5.460 -9.694
88 HH21 ARG 11 1HH1 ARG 11 -6.398 -4.769 -8.626
89 HH22 ARG 11 2HH1 ARG 11 -5.215 -6.007 -8.885
90 H GLY 12 H GLY 12 -3.194 -0.156 -4.492
91 HA2 GLY 12 2HA GLY 12 -0.490 -1.244 -4.065
92 HA3 GLY 12 1HA GLY 12 -1.231 0.082 -3.167
93 H CYS 13 H CYS 13 -3.685 -1.242 -2.511
94 HA CYS 13 HA CYS 13 -3.146 -2.426 -0.051
95 HB2 CYS 13 2HB CYS 13 -5.359 -2.078 -1.839
96 HB3 CYS 13 1HB CYS 13 -5.426 -3.709 -1.178
97 H GLY 14 H GLY 14 -2.316 -4.383 0.573
98 HA2 GLY 14 2HA GLY 14 -2.756 -6.914 -0.480
99 HA3 GLY 14 1HA GLY 14 -1.380 -6.303 -1.396
100 H ARG 15 H ARG 15 -1.299 -8.515 0.513
101 HA ARG 15 HA ARG 15 -0.507 -8.029 3.113
102 HB2 ARG 15 2HB ARG 15 1.133 -9.971 2.711
103 HB3 ARG 15 1HB ARG 15 -0.568 -10.262 2.362
104 HG2 ARG 15 2HG ARG 15 -0.208 -10.052 -0.005
105 HG3 ARG 15 1HG ARG 15 1.412 -9.399 0.241
106 HD2 ARG 15 2HD ARG 15 0.655 -12.181 1.186
107 HD3 ARG 15 1HD ARG 15 1.321 -11.868 -0.426
108 HE ARG 15 HE ARG 15 3.362 -11.046 0.591
109 HH11 ARG 15 1HH2 ARG 15 1.017 -12.198 2.905
110 HH12 ARG 15 2HH2 ARG 15 2.172 -12.336 4.179
111 HH21 ARG 15 1HH1 ARG 15 4.849 -11.265 2.273
112 HH22 ARG 15 2HH1 ARG 15 4.326 -11.822 3.823
113 H TRP 16 H TRP 16 1.607 -7.570 0.239
114 HA TRP 16 HA TRP 16 4.009 -6.878 1.645
115 HB2 TRP 16 2HB TRP 16 3.742 -7.262 -0.831
116 HB3 TRP 16 1HB TRP 16 2.933 -5.691 -0.937
117 HD1 TRP 16 HD TRP 16 6.309 -7.263 -0.051
118 HE1 TRP 16 1HE TRP 16 8.138 -5.489 -0.247
119 HE3 TRP 16 3HE TRP 16 3.432 -3.145 -0.989
120 HZ2 TRP 16 2HZ TRP 16 8.363 -2.665 -0.738
121 HZ3 TRP 16 3HZ TRP 16 4.498 -0.936 -1.311
122 HH2 TRP 16 HH TRP 16 6.953 -0.698 -1.197
123 H CYS 17 H CYS 17 1.600 -4.635 0.200
124 HA CYS 17 HA CYS 17 2.529 -2.288 1.525
125 HB2 CYS 17 2HB CYS 17 1.007 -1.932 -0.230
126 HB3 CYS 17 1HB CYS 17 -0.070 -3.201 0.316
127 H ARG 18 H ARG 18 -0.017 -4.621 2.425
128 HA ARG 18 HA ARG 18 -1.013 -3.525 4.777
129 HB2 ARG 18 2HB ARG 18 -0.241 -6.353 4.025
130 HB3 ARG 18 1HB ARG 18 -1.066 -5.991 5.537
131 HG2 ARG 18 2HG ARG 18 -2.759 -4.697 4.010
132 HG3 ARG 18 1HG ARG 18 -2.075 -5.692 2.723
133 HD2 ARG 18 2HD ARG 18 -3.897 -6.985 3.538
134 HD3 ARG 18 1HD ARG 18 -2.488 -7.694 4.340
135 HE ARG 18 HE ARG 18 -3.009 -6.347 6.335
136 HH11 ARG 18 1HH2 ARG 18 -5.467 -6.486 3.844
137 HH12 ARG 18 2HH2 ARG 18 -6.724 -5.943 4.888
138 HH21 ARG 18 1HH1 ARG 18 -4.678 -5.614 7.676
139 HH22 ARG 18 2HH1 ARG 18 -6.286 -5.467 7.057
140 H ASP 19 H ASP 19 2.026 -5.405 4.495
141 HA ASP 19 HA ASP 19 2.731 -4.750 7.307
142 HB2 ASP 19 2HB ASP 19 3.020 -6.945 5.604
143 HB3 ASP 19 1HB ASP 19 4.654 -6.283 5.731
144 H HIS 20 H HIS 20 3.824 -4.034 4.004
145 HA HIS 20 HA HIS 20 6.228 -2.593 5.007
146 HB2 HIS 20 2HB HIS 20 5.165 -3.241 2.235
147 HB3 HIS 20 1HB HIS 20 6.734 -2.524 2.562
148 HD1 HIS 20 1HD HIS 20 4.792 -5.732 3.186
149 HD2 HIS 20 2HD HIS 20 8.724 -4.363 3.231
150 HE1 HIS 20 1HE HIS 20 6.265 -7.777 3.472
151 H SER 21 H SER 21 2.995 -1.835 4.022
152 HA SER 21 HA SER 21 3.768 1.041 3.633
153 HB2 SER 21 2HB SER 21 1.730 -0.708 2.243
154 HB3 SER 21 1HB SER 21 1.901 1.010 1.958
155 HG SER 21 HG SER 21 4.082 -0.783 1.688
156 H ARG 22 H ARG 22 2.835 2.234 5.287
157 HA ARG 22 HA ARG 22 0.519 1.251 6.794
158 HB2 ARG 22 2HB ARG 22 2.206 3.765 6.743
159 HB3 ARG 22 1HB ARG 22 0.757 3.670 7.742
160 HG2 ARG 22 2HG ARG 22 2.968 1.603 7.870
161 HG3 ARG 22 1HG ARG 22 2.931 3.027 8.911
162 HD2 ARG 22 2HD ARG 22 0.722 0.942 8.724
163 HD3 ARG 22 1HD ARG 22 1.890 1.084 10.051
164 HE ARG 22 HE ARG 22 0.920 3.595 10.042
165 HH11 ARG 22 1HH2 ARG 22 -0.717 0.538 9.734
166 HH12 ARG 22 2HH2 ARG 22 -2.198 1.128 10.382
167 HH21 ARG 22 1HH1 ARG 22 -1.029 4.343 10.907
168 HH22 ARG 22 2HH1 ARG 22 -2.381 3.279 11.043
169 H CYS 23 H CYS 23 -0.506 1.132 4.409
170 HA CYS 23 HA CYS 23 -2.347 3.456 4.206
171 HB2 CYS 23 2HB CYS 23 -0.245 3.832 2.842
172 HB3 CYS 23 1HB CYS 23 -0.694 2.430 1.876
173 H CYS 24 H CYS 24 -2.459 0.423 4.805
174 HA CYS 24 HA CYS 24 -4.921 -0.147 3.366
175 HB2 CYS 24 2HB CYS 24 -3.375 -0.550 1.522
176 HB3 CYS 24 1HB CYS 24 -2.348 -1.540 2.545
177 HN1 NH2 25 2H CYS 24 -5.267 -2.365 6.113
178 HN2 NH2 25 1H CYS 24 -5.985 -1.212 5.094