Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
652753 | 6x8r RC | 30758 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 1HT ARG 1 2.331 2.477 8.276
2 H2 ARG 1 2HT ARG 1 1.164 1.802 9.300
3 H3 ARG 1 3HT ARG 1 1.167 3.462 8.955
4 HA ARG 1 HA ARG 1 0.767 1.428 6.908
5 HB2 ARG 1 2HB ARG 1 -1.597 2.001 6.965
6 HB3 ARG 1 1HB ARG 1 -1.092 1.343 8.508
7 HG2 ARG 1 2HG ARG 1 -0.877 3.799 9.233
8 HG3 ARG 1 1HG ARG 1 -1.837 4.144 7.797
9 HD2 ARG 1 2HD ARG 1 -2.582 2.466 10.174
10 HD3 ARG 1 1HD ARG 1 -3.313 3.973 9.636
11 HE ARG 1 HE ARG 1 -3.509 1.949 7.663
12 HH11 ARG 1 1HH1 ARG 1 -4.933 3.175 10.649
13 HH12 ARG 1 2HH1 ARG 1 -6.405 2.343 10.484
14 HH21 ARG 1 1HH2 ARG 1 -5.575 0.796 7.406
15 HH22 ARG 1 2HH2 ARG 1 -6.788 0.981 8.585
16 H GLY 2 HN GLY 2 1.853 2.311 5.262
17 HA2 GLY 2 2HA GLY 2 1.297 5.130 4.761
18 HA3 GLY 2 1HA GLY 2 2.753 4.290 4.265
19 H CYS 3 HN CYS 3 -0.609 3.598 4.000
20 HA CYS 3 HA CYS 3 -0.181 2.889 1.201
21 HB2 CYS 3 2HB CYS 3 -2.568 2.362 2.950
22 HB3 CYS 3 1HB CYS 3 -2.291 1.727 1.330
23 H CYS 4 HN CYS 4 -0.762 5.504 2.678
24 HA CYS 4 HA CYS 4 -2.088 6.553 0.293
25 HB2 CYS 4 2HB CYS 4 -2.213 7.822 3.048
26 HB3 CYS 4 1HB CYS 4 -2.991 8.424 1.595
27 H ASN 5 HN ASN 5 0.180 7.044 2.887
28 HA ASN 5 HA ASN 5 2.271 7.809 1.137
29 HB2 ASN 5 2HB ASN 5 0.977 9.932 1.376
30 HB3 ASN 5 1HB ASN 5 1.228 9.851 3.109
31 HD21 ASN 5 1HD2 ASN 5 2.704 10.527 0.071
32 HD22 ASN 5 2HD2 ASN 5 4.191 11.152 0.686
33 H GLY 6 HN GLY 6 3.816 6.552 2.110
34 HA2 GLY 6 2HA GLY 6 5.096 7.027 4.404
35 HA3 GLY 6 1HA GLY 6 3.656 6.235 5.014
36 H ARG 7 HN ARG 7 4.091 4.627 2.236
37 HA ARG 7 HA ARG 7 6.002 2.813 3.457
38 HB2 ARG 7 2HB ARG 7 3.651 2.302 1.689
39 HB3 ARG 7 1HB ARG 7 4.996 1.178 1.709
40 HG2 ARG 7 2HG ARG 7 3.229 1.942 4.043
41 HG3 ARG 7 1HG ARG 7 3.177 0.422 3.157
42 HD2 ARG 7 2HD ARG 7 4.391 -0.053 5.154
43 HD3 ARG 7 1HD ARG 7 5.588 0.081 3.884
44 HE ARG 7 HE ARG 7 5.243 2.611 5.017
45 HH11 ARG 7 1HH1 ARG 7 6.709 -0.484 5.897
46 HH12 ARG 7 2HH1 ARG 7 7.833 0.210 6.959
47 HH21 ARG 7 1HH2 ARG 7 6.763 3.541 6.414
48 HH22 ARG 7 2HH2 ARG 7 7.874 2.568 7.263
49 H GLY 8 HN GLY 8 7.397 1.631 1.829
50 HA2 GLY 8 2HA GLY 8 8.506 3.505 -0.023
51 HA3 GLY 8 1HA GLY 8 9.037 1.847 0.237
52 H GLY 9 HN GLY 9 6.199 3.506 -0.986
53 HA2 GLY 9 2HA GLY 9 5.558 3.360 -3.295
54 HA3 GLY 9 1HA GLY 9 6.205 1.726 -3.326
55 H CYS 10 HN CYS 10 3.498 3.026 -3.712
56 HA CYS 10 HA CYS 10 1.827 1.884 -1.677
57 HB2 CYS 10 2HB CYS 10 1.085 2.898 -4.431
58 HB3 CYS 10 1HB CYS 10 -0.047 2.495 -3.148
59 H SER 11 HN SER 11 3.435 0.660 -4.369
60 HA SER 11 HA SER 11 1.579 -1.516 -4.786
61 HB2 SER 11 2HB SER 11 2.765 -0.320 -6.692
62 HB3 SER 11 1HB SER 11 4.261 -1.054 -6.117
63 HG SER 11 HG SER 11 3.657 -2.538 -7.475
64 H SER 12 HN SER 12 3.617 -0.913 -2.392
65 HA SER 12 HA SER 12 5.132 -3.350 -2.271
66 HB2 SER 12 2HB SER 12 5.577 -1.147 -0.944
67 HB3 SER 12 1HB SER 12 4.234 -1.703 0.069
68 HG SER 12 HG SER 12 6.804 -2.648 -0.139
69 H ARG 13 HN ARG 13 4.619 -5.022 -0.685
70 HA ARG 13 HA ARG 13 2.063 -6.082 -1.258
71 HB2 ARG 13 2HB ARG 13 3.914 -7.587 -0.808
72 HB3 ARG 13 1HB ARG 13 4.026 -7.010 0.846
73 HG2 ARG 13 2HG ARG 13 1.838 -7.931 1.347
74 HG3 ARG 13 1HG ARG 13 1.655 -8.467 -0.321
75 HD2 ARG 13 2HD ARG 13 2.330 -10.314 1.109
76 HD3 ARG 13 1HD ARG 13 3.605 -9.924 -0.047
77 HE ARG 13 HE ARG 13 3.978 -8.537 2.372
78 HH11 ARG 13 1HH1 ARG 13 4.265 -11.782 1.025
79 HH12 ARG 13 2HH1 ARG 13 5.577 -12.247 2.011
80 HH21 ARG 13 1HH2 ARG 13 5.779 -9.179 3.756
81 HH22 ARG 13 2HH2 ARG 13 6.428 -10.743 3.609
82 H TRP 14 HN TRP 14 3.239 -4.437 1.535
83 HA TRP 14 HA TRP 14 1.087 -4.839 3.312
84 HB2 TRP 14 2HB TRP 14 3.472 -3.579 3.518
85 HB3 TRP 14 1HB TRP 14 2.463 -2.178 3.199
86 HD1 TRP 14 1HD TRP 14 3.553 -4.475 5.896
87 HE1 TRP 14 1HE TRP 14 2.344 -3.917 8.121
88 HE3 TRP 14 3HE TRP 14 0.063 -1.226 4.137
89 HZ2 TRP 14 2HZ TRP 14 0.215 -2.318 8.983
90 HZ3 TRP 14 3HZ TRP 14 -1.503 -0.228 5.710
91 HH2 TRP 14 2HH TRP 14 -1.430 -0.762 8.094
92 H CYS 15 HN CYS 15 1.562 -2.324 0.898
93 HA CYS 15 HA CYS 15 -1.040 -1.285 1.450
94 HB2 CYS 15 2HB CYS 15 1.227 -0.534 -0.236
95 HB3 CYS 15 1HB CYS 15 -0.308 0.347 -0.259
96 H ARG 16 HN ARG 16 0.354 -3.409 -0.723
97 HA ARG 16 HA ARG 16 -1.624 -3.220 -2.765
98 HB2 ARG 16 2HB ARG 16 0.517 -4.348 -3.173
99 HB3 ARG 16 1HB ARG 16 0.157 -5.521 -1.922
100 HG2 ARG 16 2HG ARG 16 -0.121 -6.482 -4.138
101 HG3 ARG 16 1HG ARG 16 -1.657 -6.429 -3.277
102 HD2 ARG 16 2HD ARG 16 -1.915 -5.773 -5.609
103 HD3 ARG 16 1HD ARG 16 -2.298 -4.434 -4.529
104 HE ARG 16 HE ARG 16 0.411 -4.499 -5.497
105 HH11 ARG 16 1HH1 ARG 16 -2.860 -3.391 -6.196
106 HH12 ARG 16 2HH1 ARG 16 -2.395 -2.075 -7.159
107 HH21 ARG 16 1HH2 ARG 16 1.095 -2.666 -6.876
108 HH22 ARG 16 2HH2 ARG 16 -0.085 -1.651 -7.535
109 H ASP 17 HN ASP 17 -1.374 -4.782 0.310
110 HA ASP 17 HA ASP 17 -3.836 -6.300 -0.130
111 HB2 ASP 17 2HB ASP 17 -1.632 -7.275 0.871
112 HB3 ASP 17 1HB ASP 17 -2.145 -6.458 2.326
113 H HIS 18 HN HIS 18 -2.427 -3.986 2.199
114 HA HIS 18 HA HIS 18 -4.988 -3.753 3.621
115 HB2 HIS 18 2HB HIS 18 -2.316 -2.528 4.370
116 HB3 HIS 18 1HB HIS 18 -3.689 -2.773 5.425
117 HD1 HIS 18 1HD HIS 18 -4.143 -5.809 4.984
118 HD2 HIS 18 2HD HIS 18 -0.424 -4.073 5.422
119 HE1 HIS 18 1HE HIS 18 -2.620 -7.648 5.771
120 H ALA 19 HN ALA 19 -4.551 -2.604 1.023
121 HA ALA 19 HA ALA 19 -3.786 0.068 0.911
122 HB1 ALA 19 1HB ALA 19 -5.815 -1.306 -0.818
123 HB2 ALA 19 2HB ALA 19 -4.060 -1.355 -1.024
124 HB3 ALA 19 3HB ALA 19 -4.925 0.174 -1.184
125 H ARG 20 HN ARG 20 -4.664 1.872 1.529
126 HA ARG 20 HA ARG 20 -7.561 1.995 2.026
127 HB2 ARG 20 2HB ARG 20 -5.475 3.968 2.994
128 HB3 ARG 20 1HB ARG 20 -7.186 3.977 3.391
129 HG2 ARG 20 2HG ARG 20 -6.857 1.768 4.499
130 HG3 ARG 20 1HG ARG 20 -5.128 1.973 4.224
131 HD2 ARG 20 2HD ARG 20 -5.539 2.729 6.440
132 HD3 ARG 20 1HD ARG 20 -5.300 4.162 5.442
133 HE ARG 20 HE ARG 20 -8.034 3.581 5.553
134 HH11 ARG 20 1HH1 ARG 20 -5.453 4.863 7.626
135 HH12 ARG 20 2HH1 ARG 20 -6.509 5.646 8.695
136 HH21 ARG 20 1HH2 ARG 20 -9.478 4.670 7.042
137 HH22 ARG 20 2HH2 ARG 20 -8.853 5.552 8.351
138 H CYS 21 HN CYS 21 -4.907 4.103 0.878
139 HA CYS 21 HA CYS 21 -6.788 5.312 -1.009
140 HB2 CYS 21 2HB CYS 21 -3.973 6.180 -0.318
141 HB3 CYS 21 1HB CYS 21 -5.174 7.106 -1.208
142 H CYS 22 HN CYS 22 -3.348 4.176 -0.939
143 HA CYS 22 HA CYS 22 -3.724 3.108 -3.597
144 HB2 CYS 22 2HB CYS 22 -1.399 3.845 -4.064
145 HB3 CYS 22 1HB CYS 22 -2.514 5.166 -3.706
146 HN1 NH2 23 1H CYS 22 -3.637 0.979 -3.365
147 HN2 NH2 23 2H CYS 22 -2.611 0.103 -2.286
Start of MODEL 2
1 H1 ARG 1 1HT ARG 1 -1.812 3.428 7.984
2 H2 ARG 1 2HT ARG 1 -1.512 2.003 8.792
3 H3 ARG 1 3HT ARG 1 -1.814 2.004 7.112
4 HA ARG 1 HA ARG 1 0.456 3.330 8.436
5 HB2 ARG 1 2HB ARG 1 0.429 0.723 8.331
6 HB3 ARG 1 1HB ARG 1 0.555 0.931 6.595
7 HG2 ARG 1 2HG ARG 1 2.715 1.837 6.727
8 HG3 ARG 1 1HG ARG 1 2.573 2.179 8.451
9 HD2 ARG 1 2HD ARG 1 2.725 -0.548 7.174
10 HD3 ARG 1 1HD ARG 1 4.061 0.292 7.964
11 HE ARG 1 HE ARG 1 1.704 -0.094 9.589
12 HH11 ARG 1 1HH1 ARG 1 4.870 -1.391 8.729
13 HH12 ARG 1 2HH1 ARG 1 4.956 -2.435 10.064
14 HH21 ARG 1 1HH2 ARG 1 1.805 -1.533 11.395
15 HH22 ARG 1 2HH2 ARG 1 3.158 -2.542 11.617
16 H GLY 2 HN GLY 2 2.159 3.363 6.193
17 HA2 GLY 2 2HA GLY 2 1.111 5.576 4.819
18 HA3 GLY 2 1HA GLY 2 2.635 4.766 4.593
19 H CYS 3 HN CYS 3 -0.602 3.854 4.174
20 HA CYS 3 HA CYS 3 0.027 2.816 1.498
21 HB2 CYS 3 2HB CYS 3 -2.339 2.321 3.265
22 HB3 CYS 3 1HB CYS 3 -2.052 1.533 1.709
23 H CYS 4 HN CYS 4 -0.728 5.528 2.591
24 HA CYS 4 HA CYS 4 -2.070 6.289 0.091
25 HB2 CYS 4 2HB CYS 4 -2.121 7.893 2.681
26 HB3 CYS 4 1HB CYS 4 -2.925 8.314 1.191
27 H ASN 5 HN ASN 5 0.181 7.082 2.632
28 HA ASN 5 HA ASN 5 2.333 7.696 0.899
29 HB2 ASN 5 2HB ASN 5 1.028 9.840 0.923
30 HB3 ASN 5 1HB ASN 5 1.169 9.878 2.665
31 HD21 ASN 5 1HD2 ASN 5 2.102 11.885 0.776
32 HD22 ASN 5 2HD2 ASN 5 3.798 12.029 1.020
33 H GLY 6 HN GLY 6 3.899 6.709 2.019
34 HA2 GLY 6 2HA GLY 6 5.020 7.310 4.353
35 HA3 GLY 6 1HA GLY 6 3.649 6.394 4.930
36 H ARG 7 HN ARG 7 3.712 4.412 2.758
37 HA ARG 7 HA ARG 7 5.967 2.964 3.743
38 HB2 ARG 7 2HB ARG 7 3.563 2.252 2.180
39 HB3 ARG 7 1HB ARG 7 4.946 1.165 2.064
40 HG2 ARG 7 2HG ARG 7 3.499 1.958 4.607
41 HG3 ARG 7 1HG ARG 7 3.199 0.474 3.706
42 HD2 ARG 7 2HD ARG 7 4.630 -0.012 5.585
43 HD3 ARG 7 1HD ARG 7 5.549 -0.227 4.130
44 HE ARG 7 HE ARG 7 5.707 2.399 5.294
45 HH11 ARG 7 1HH1 ARG 7 7.236 -0.781 5.150
46 HH12 ARG 7 2HH1 ARG 7 8.759 -0.282 5.703
47 HH21 ARG 7 1HH2 ARG 7 7.892 3.156 6.030
48 HH22 ARG 7 2HH2 ARG 7 9.137 2.014 6.171
49 H GLY 8 HN GLY 8 7.140 1.559 1.945
50 HA2 GLY 8 2HA GLY 8 8.510 3.535 0.349
51 HA3 GLY 8 1HA GLY 8 8.950 1.844 0.546
52 H GLY 9 HN GLY 9 6.269 3.669 -0.733
53 HA2 GLY 9 2HA GLY 9 5.580 3.760 -2.973
54 HA3 GLY 9 1HA GLY 9 6.524 2.323 -3.312
55 H CYS 10 HN CYS 10 3.641 3.063 -3.680
56 HA CYS 10 HA CYS 10 2.180 1.335 -1.931
57 HB2 CYS 10 2HB CYS 10 1.328 2.649 -4.506
58 HB3 CYS 10 1HB CYS 10 0.255 1.888 -3.333
59 H SER 11 HN SER 11 4.097 0.757 -4.608
60 HA SER 11 HA SER 11 2.736 -1.389 -5.843
61 HB2 SER 11 2HB SER 11 4.654 -0.191 -6.890
62 HB3 SER 11 1HB SER 11 5.726 -0.871 -5.672
63 HG SER 11 HG SER 11 4.945 -2.986 -6.524
64 H SER 12 HN SER 12 4.498 -1.099 -2.875
65 HA SER 12 HA SER 12 5.310 -3.667 -2.364
66 HB2 SER 12 2HB SER 12 4.292 -1.563 -0.466
67 HB3 SER 12 1HB SER 12 5.438 -2.868 -0.140
68 HG SER 12 HG SER 12 5.876 -0.424 -1.227
69 H ARG 13 HN ARG 13 4.222 -5.433 -1.720
70 HA ARG 13 HA ARG 13 1.483 -5.709 -2.160
71 HB2 ARG 13 2HB ARG 13 3.334 -7.538 -0.632
72 HB3 ARG 13 1HB ARG 13 1.701 -7.956 -1.120
73 HG2 ARG 13 2HG ARG 13 4.043 -7.376 -2.934
74 HG3 ARG 13 1HG ARG 13 3.282 -8.942 -2.651
75 HD2 ARG 13 2HD ARG 13 2.096 -6.539 -4.046
76 HD3 ARG 13 1HD ARG 13 2.487 -8.105 -4.750
77 HE ARG 13 HE ARG 13 0.730 -8.765 -2.842
78 HH11 ARG 13 1HH1 ARG 13 0.558 -6.423 -5.515
79 HH12 ARG 13 2HH1 ARG 13 -1.144 -6.433 -5.562
80 HH21 ARG 13 1HH2 ARG 13 -1.558 -8.714 -2.904
81 HH22 ARG 13 2HH2 ARG 13 -2.396 -7.754 -4.027
82 H TRP 14 HN TRP 14 3.159 -4.895 0.731
83 HA TRP 14 HA TRP 14 1.308 -5.375 2.790
84 HB2 TRP 14 2HB TRP 14 3.731 -4.250 2.781
85 HB3 TRP 14 1HB TRP 14 2.820 -2.761 2.608
86 HD1 TRP 14 1HD TRP 14 4.251 -4.943 5.092
87 HE1 TRP 14 1HE TRP 14 3.309 -4.523 7.475
88 HE3 TRP 14 3HE TRP 14 0.362 -1.887 3.904
89 HZ2 TRP 14 2HZ TRP 14 1.236 -3.069 8.653
90 HZ3 TRP 14 3HZ TRP 14 -1.028 -1.006 5.708
91 HH2 TRP 14 2HH TRP 14 -0.598 -1.582 8.040
92 H CYS 15 HN CYS 15 1.644 -2.411 0.952
93 HA CYS 15 HA CYS 15 -0.795 -1.400 1.938
94 HB2 CYS 15 2HB CYS 15 1.273 -0.578 0.085
95 HB3 CYS 15 1HB CYS 15 -0.213 0.363 0.201
96 H ARG 16 HN ARG 16 -0.000 -3.347 -0.579
97 HA ARG 16 HA ARG 16 -2.302 -2.636 -2.183
98 HB2 ARG 16 2HB ARG 16 -0.645 -5.156 -2.267
99 HB3 ARG 16 1HB ARG 16 -1.909 -4.748 -3.414
100 HG2 ARG 16 2HG ARG 16 0.650 -3.226 -2.975
101 HG3 ARG 16 1HG ARG 16 0.271 -4.294 -4.328
102 HD2 ARG 16 2HD ARG 16 -1.150 -1.717 -3.637
103 HD3 ARG 16 1HD ARG 16 -0.006 -1.952 -4.949
104 HE ARG 16 HE ARG 16 -1.970 -3.816 -5.358
105 HH11 ARG 16 1HH1 ARG 16 -1.820 -0.294 -5.168
106 HH12 ARG 16 2HH1 ARG 16 -3.157 -0.042 -6.186
107 HH21 ARG 16 1HH2 ARG 16 -3.751 -3.499 -6.736
108 HH22 ARG 16 2HH2 ARG 16 -4.299 -1.936 -7.126
109 H ASP 17 HN ASP 17 -1.614 -4.909 0.365
110 HA ASP 17 HA ASP 17 -4.247 -6.162 0.132
111 HB2 ASP 17 2HB ASP 17 -2.034 -7.420 0.714
112 HB3 ASP 17 1HB ASP 17 -2.210 -6.656 2.261
113 H HIS 18 HN HIS 18 -2.448 -4.059 2.266
114 HA HIS 18 HA HIS 18 -4.770 -3.804 4.063
115 HB2 HIS 18 2HB HIS 18 -1.940 -2.859 4.588
116 HB3 HIS 18 1HB HIS 18 -3.200 -3.150 5.768
117 HD1 HIS 18 1HD HIS 18 -3.809 -6.192 4.838
118 HD2 HIS 18 2HD HIS 18 -0.066 -4.550 5.496
119 HE1 HIS 18 1HE HIS 18 -2.305 -8.111 5.356
120 H ALA 19 HN ALA 19 -4.756 -2.630 1.593
121 HA ALA 19 HA ALA 19 -3.607 -0.103 1.325
122 HB1 ALA 19 1HB ALA 19 -5.025 0.189 -0.593
123 HB2 ALA 19 2HB ALA 19 -6.049 -1.149 -0.069
124 HB3 ALA 19 3HB ALA 19 -4.380 -1.453 -0.553
125 H ARG 20 HN ARG 20 -4.216 1.839 1.672
126 HA ARG 20 HA ARG 20 -6.791 2.356 2.969
127 HB2 ARG 20 2HB ARG 20 -4.227 3.955 3.029
128 HB3 ARG 20 1HB ARG 20 -5.741 4.512 3.708
129 HG2 ARG 20 2HG ARG 20 -4.149 2.120 4.603
130 HG3 ARG 20 1HG ARG 20 -4.282 3.664 5.445
131 HD2 ARG 20 2HD ARG 20 -6.459 1.623 4.976
132 HD3 ARG 20 1HD ARG 20 -5.744 2.095 6.513
133 HE ARG 20 HE ARG 20 -7.028 4.228 5.043
134 HH11 ARG 20 1HH1 ARG 20 -7.366 1.848 7.641
135 HH12 ARG 20 2HH1 ARG 20 -8.792 2.542 8.250
136 HH21 ARG 20 1HH2 ARG 20 -8.943 5.143 5.870
137 HH22 ARG 20 2HH2 ARG 20 -9.715 4.470 7.244
138 H CYS 21 HN CYS 21 -4.448 3.954 0.758
139 HA CYS 21 HA CYS 21 -6.772 4.995 -0.696
140 HB2 CYS 21 2HB CYS 21 -4.012 6.222 -0.516
141 HB3 CYS 21 1HB CYS 21 -5.409 6.909 -1.334
142 H CYS 22 HN CYS 22 -3.299 4.129 -1.206
143 HA CYS 22 HA CYS 22 -3.949 3.560 -3.970
144 HB2 CYS 22 2HB CYS 22 -1.396 3.319 -4.114
145 HB3 CYS 22 1HB CYS 22 -2.040 4.921 -3.777
146 HN1 NH2 23 1H CYS 22 -5.202 1.693 -3.359
147 HN2 NH2 23 2H CYS 22 -4.399 0.179 -3.126
Start of MODEL 3
1 H1 ARG 1 1HT ARG 1 2.104 2.605 8.070
2 H2 ARG 1 2HT ARG 1 1.072 1.901 9.182
3 H3 ARG 1 3HT ARG 1 0.946 3.547 8.827
4 HA ARG 1 HA ARG 1 0.545 1.361 6.901
5 HB2 ARG 1 2HB ARG 1 -1.887 1.972 6.959
6 HB3 ARG 1 1HB ARG 1 -1.276 1.153 8.377
7 HG2 ARG 1 2HG ARG 1 -1.199 3.306 9.559
8 HG3 ARG 1 1HG ARG 1 -1.871 4.095 8.123
9 HD2 ARG 1 2HD ARG 1 -3.580 3.533 9.831
10 HD3 ARG 1 1HD ARG 1 -3.864 2.753 8.271
11 HE ARG 1 HE ARG 1 -2.354 1.241 10.209
12 HH11 ARG 1 1HH1 ARG 1 -5.580 1.881 8.918
13 HH12 ARG 1 2HH1 ARG 1 -6.198 0.343 9.293
14 HH21 ARG 1 1HH2 ARG 1 -3.217 -0.890 10.744
15 HH22 ARG 1 2HH2 ARG 1 -4.815 -1.275 10.353
16 H GLY 2 HN GLY 2 2.132 2.885 5.833
17 HA2 GLY 2 2HA GLY 2 1.161 5.419 4.883
18 HA3 GLY 2 1HA GLY 2 2.680 4.654 4.540
19 H CYS 3 HN CYS 3 -0.578 3.740 3.976
20 HA CYS 3 HA CYS 3 0.145 3.062 1.210
21 HB2 CYS 3 2HB CYS 3 -2.395 2.445 2.703
22 HB3 CYS 3 1HB CYS 3 -2.014 1.930 1.066
23 H CYS 4 HN CYS 4 -0.630 5.652 2.587
24 HA CYS 4 HA CYS 4 -1.930 6.677 0.169
25 HB2 CYS 4 2HB CYS 4 -2.046 8.097 2.850
26 HB3 CYS 4 1HB CYS 4 -3.074 8.336 1.449
27 H ASN 5 HN ASN 5 0.336 7.033 2.786
28 HA ASN 5 HA ASN 5 2.459 7.997 1.176
29 HB2 ASN 5 2HB ASN 5 1.116 10.058 1.548
30 HB3 ASN 5 1HB ASN 5 1.267 9.812 3.277
31 HD21 ASN 5 1HD2 ASN 5 3.261 10.142 4.281
32 HD22 ASN 5 2HD2 ASN 5 4.550 10.994 3.512
33 H GLY 6 HN GLY 6 3.994 6.625 2.098
34 HA2 GLY 6 2HA GLY 6 5.272 7.068 4.386
35 HA3 GLY 6 1HA GLY 6 3.877 6.214 4.999
36 H ARG 7 HN ARG 7 3.901 4.392 2.518
37 HA ARG 7 HA ARG 7 5.969 2.623 3.523
38 HB2 ARG 7 2HB ARG 7 3.778 2.272 1.470
39 HB3 ARG 7 1HB ARG 7 4.978 1.046 1.802
40 HG2 ARG 7 2HG ARG 7 2.995 2.131 3.803
41 HG3 ARG 7 1HG ARG 7 2.806 0.631 2.904
42 HD2 ARG 7 2HD ARG 7 4.973 1.249 4.927
43 HD3 ARG 7 1HD ARG 7 3.582 0.191 5.156
44 HE ARG 7 HE ARG 7 5.308 -0.550 2.979
45 HH11 ARG 7 1HH1 ARG 7 4.591 -0.954 6.416
46 HH12 ARG 7 2HH1 ARG 7 5.427 -2.434 6.559
47 HH21 ARG 7 1HH2 ARG 7 6.466 -2.577 3.180
48 HH22 ARG 7 2HH2 ARG 7 6.533 -3.370 4.686
49 H GLY 8 HN GLY 8 6.992 1.329 1.460
50 HA2 GLY 8 2HA GLY 8 8.515 3.354 0.074
51 HA3 GLY 8 1HA GLY 8 8.758 1.613 -0.015
52 H GLY 9 HN GLY 9 6.023 3.707 -0.720
53 HA2 GLY 9 2HA GLY 9 5.161 4.180 -2.883
54 HA3 GLY 9 1HA GLY 9 6.034 2.775 -3.494
55 H CYS 10 HN CYS 10 3.495 2.954 -4.231
56 HA CYS 10 HA CYS 10 1.696 1.621 -2.400
57 HB2 CYS 10 2HB CYS 10 1.380 2.171 -5.350
58 HB3 CYS 10 1HB CYS 10 0.116 1.653 -4.253
59 H SER 11 HN SER 11 4.170 0.634 -4.491
60 HA SER 11 HA SER 11 3.232 -1.688 -5.595
61 HB2 SER 11 2HB SER 11 5.999 -0.832 -4.838
62 HB3 SER 11 1HB SER 11 5.474 -1.835 -6.191
63 HG SER 11 HG SER 11 4.857 -0.150 -7.273
64 H SER 12 HN SER 12 4.053 -0.894 -2.320
65 HA SER 12 HA SER 12 5.353 -3.210 -1.477
66 HB2 SER 12 2HB SER 12 4.669 -2.232 0.736
67 HB3 SER 12 1HB SER 12 5.602 -1.153 -0.309
68 HG SER 12 HG SER 12 3.906 0.146 -0.446
69 H ARG 13 HN ARG 13 4.498 -5.064 -0.537
70 HA ARG 13 HA ARG 13 1.964 -5.928 -1.344
71 HB2 ARG 13 2HB ARG 13 3.784 -7.489 -0.877
72 HB3 ARG 13 1HB ARG 13 3.723 -7.077 0.828
73 HG2 ARG 13 2HG ARG 13 1.596 -8.108 1.095
74 HG3 ARG 13 1HG ARG 13 1.397 -8.293 -0.647
75 HD2 ARG 13 2HD ARG 13 2.003 -10.407 0.436
76 HD3 ARG 13 1HD ARG 13 3.228 -9.882 -0.711
77 HE ARG 13 HE ARG 13 3.772 -9.051 1.973
78 HH11 ARG 13 1HH1 ARG 13 4.021 -11.795 -0.227
79 HH12 ARG 13 2HH1 ARG 13 5.379 -12.470 0.534
80 HH21 ARG 13 1HH2 ARG 13 5.629 -9.967 3.026
81 HH22 ARG 13 2HH2 ARG 13 6.313 -11.415 2.432
82 H TRP 14 HN TRP 14 2.973 -4.366 1.548
83 HA TRP 14 HA TRP 14 0.767 -4.813 3.249
84 HB2 TRP 14 2HB TRP 14 3.096 -3.485 3.563
85 HB3 TRP 14 1HB TRP 14 2.085 -2.118 3.136
86 HD1 TRP 14 1HD TRP 14 3.160 -4.177 5.984
87 HE1 TRP 14 1HE TRP 14 1.837 -3.583 8.126
88 HE3 TRP 14 3HE TRP 14 -0.510 -1.308 3.922
89 HZ2 TRP 14 2HZ TRP 14 -0.424 -2.110 8.826
90 HZ3 TRP 14 3HZ TRP 14 -2.208 -0.344 5.392
91 HH2 TRP 14 2HH TRP 14 -2.167 -0.740 7.802
92 H CYS 15 HN CYS 15 1.370 -2.319 0.859
93 HA CYS 15 HA CYS 15 -1.192 -1.162 1.221
94 HB2 CYS 15 2HB CYS 15 1.092 -0.733 -0.558
95 HB3 CYS 15 1HB CYS 15 -0.377 0.261 -0.589
96 H ARG 16 HN ARG 16 0.085 -3.618 -0.673
97 HA ARG 16 HA ARG 16 -1.888 -3.375 -2.749
98 HB2 ARG 16 2HB ARG 16 -0.408 -5.867 -1.907
99 HB3 ARG 16 1HB ARG 16 -1.352 -5.705 -3.379
100 HG2 ARG 16 2HG ARG 16 1.329 -4.549 -2.689
101 HG3 ARG 16 1HG ARG 16 0.867 -5.550 -4.065
102 HD2 ARG 16 2HD ARG 16 0.195 -2.667 -3.562
103 HD3 ARG 16 1HD ARG 16 1.264 -3.303 -4.799
104 HE ARG 16 HE ARG 16 -1.020 -4.453 -5.482
105 HH11 ARG 16 1HH1 ARG 16 -0.257 -1.116 -4.606
106 HH12 ARG 16 2HH1 ARG 16 -1.587 -0.450 -5.464
107 HH21 ARG 16 1HH2 ARG 16 -2.841 -3.511 -6.651
108 HH22 ARG 16 2HH2 ARG 16 -3.075 -1.825 -6.603
109 H ASP 17 HN ASP 17 -1.585 -5.124 0.271
110 HA ASP 17 HA ASP 17 -4.157 -6.429 -0.085
111 HB2 ASP 17 2HB ASP 17 -2.068 -7.439 1.100
112 HB3 ASP 17 1HB ASP 17 -2.515 -6.387 2.410
113 H HIS 18 HN HIS 18 -2.692 -4.132 2.214
114 HA HIS 18 HA HIS 18 -5.297 -3.724 3.480
115 HB2 HIS 18 2HB HIS 18 -2.599 -2.727 4.415
116 HB3 HIS 18 1HB HIS 18 -4.073 -2.828 5.349
117 HD1 HIS 18 1HD HIS 18 -4.485 -6.021 4.392
118 HD2 HIS 18 2HD HIS 18 -1.181 -4.235 6.171
119 HE1 HIS 18 1HE HIS 18 -3.247 -7.851 5.507
120 H ALA 19 HN ALA 19 -4.677 -2.636 0.942
121 HA ALA 19 HA ALA 19 -3.784 -0.016 0.833
122 HB1 ALA 19 1HB ALA 19 -4.249 -1.378 -1.133
123 HB2 ALA 19 2HB ALA 19 -5.023 0.203 -1.209
124 HB3 ALA 19 3HB ALA 19 -5.985 -1.231 -0.824
125 H ARG 20 HN ARG 20 -4.477 1.473 2.210
126 HA ARG 20 HA ARG 20 -7.288 1.831 2.784
127 HB2 ARG 20 2HB ARG 20 -5.513 2.254 4.488
128 HB3 ARG 20 1HB ARG 20 -4.965 3.613 3.517
129 HG2 ARG 20 2HG ARG 20 -7.103 4.717 3.803
130 HG3 ARG 20 1HG ARG 20 -7.708 3.338 4.724
131 HD2 ARG 20 2HD ARG 20 -7.020 5.129 6.218
132 HD3 ARG 20 1HD ARG 20 -5.977 3.721 6.411
133 HE ARG 20 HE ARG 20 -4.934 5.496 4.515
134 HH11 ARG 20 1HH1 ARG 20 -5.370 5.173 8.026
135 HH12 ARG 20 2HH1 ARG 20 -3.996 6.088 8.438
136 HH21 ARG 20 1HH2 ARG 20 -2.999 6.765 5.121
137 HH22 ARG 20 2HH2 ARG 20 -2.608 6.968 6.757
138 H CYS 21 HN CYS 21 -4.802 3.262 0.815
139 HA CYS 21 HA CYS 21 -6.847 4.907 -0.502
140 HB2 CYS 21 2HB CYS 21 -3.985 5.757 0.016
141 HB3 CYS 21 1HB CYS 21 -5.233 6.713 -0.769
142 H CYS 22 HN CYS 22 -3.395 4.009 -0.863
143 HA CYS 22 HA CYS 22 -3.933 3.154 -3.602
144 HB2 CYS 22 2HB CYS 22 -2.853 5.362 -3.509
145 HB3 CYS 22 1HB CYS 22 -1.601 4.716 -2.465
146 HN1 NH2 23 1H CYS 22 -3.812 0.990 -3.325
147 HN2 NH2 23 2H CYS 22 -2.579 0.133 -2.473
Start of MODEL 4
1 H1 ARG 1 1HT ARG 1 1.847 3.401 8.793
2 H2 ARG 1 2HT ARG 1 0.807 2.490 9.732
3 H3 ARG 1 3HT ARG 1 0.439 4.089 9.345
4 HA ARG 1 HA ARG 1 0.748 1.978 7.335
5 HB2 ARG 1 2HB ARG 1 -1.728 2.024 7.098
6 HB3 ARG 1 1HB ARG 1 -1.196 1.382 8.638
7 HG2 ARG 1 2HG ARG 1 -1.667 3.684 9.612
8 HG3 ARG 1 1HG ARG 1 -2.426 4.064 8.074
9 HD2 ARG 1 2HD ARG 1 -4.050 3.350 9.750
10 HD3 ARG 1 1HD ARG 1 -4.018 2.260 8.359
11 HE ARG 1 HE ARG 1 -2.384 0.971 9.974
12 HH11 ARG 1 1HH1 ARG 1 -5.424 2.549 10.869
13 HH12 ARG 1 2HH1 ARG 1 -5.783 1.444 12.114
14 HH21 ARG 1 1HH2 ARG 1 -2.889 -0.553 11.561
15 HH22 ARG 1 2HH2 ARG 1 -4.300 -0.415 12.511
16 H GLY 2 HN GLY 2 1.678 3.052 5.708
17 HA2 GLY 2 2HA GLY 2 0.466 5.612 5.030
18 HA3 GLY 2 1HA GLY 2 2.159 5.244 4.813
19 H CYS 3 HN CYS 3 -0.898 3.895 3.929
20 HA CYS 3 HA CYS 3 0.214 3.293 1.306
21 HB2 CYS 3 2HB CYS 3 -2.404 2.460 2.544
22 HB3 CYS 3 1HB CYS 3 -1.891 2.022 0.911
23 H CYS 4 HN CYS 4 -1.141 5.773 2.720
24 HA CYS 4 HA CYS 4 -2.050 6.821 0.148
25 HB2 CYS 4 2HB CYS 4 -2.258 8.091 2.897
26 HB3 CYS 4 1HB CYS 4 -2.971 8.716 1.410
27 H ASN 5 HN ASN 5 0.248 7.088 2.743
28 HA ASN 5 HA ASN 5 2.389 7.861 1.146
29 HB2 ASN 5 2HB ASN 5 1.031 10.008 1.276
30 HB3 ASN 5 1HB ASN 5 1.388 10.036 2.992
31 HD21 ASN 5 1HD2 ASN 5 2.688 10.465 -0.186
32 HD22 ASN 5 2HD2 ASN 5 4.206 11.106 0.296
33 H GLY 6 HN GLY 6 3.963 6.848 2.256
34 HA2 GLY 6 2HA GLY 6 5.316 7.052 4.361
35 HA3 GLY 6 1HA GLY 6 3.798 6.847 5.211
36 H ARG 7 HN ARG 7 5.131 5.052 2.438
37 HA ARG 7 HA ARG 7 5.841 2.786 3.977
38 HB2 ARG 7 2HB ARG 7 3.361 2.437 3.853
39 HB3 ARG 7 1HB ARG 7 3.418 2.609 2.114
40 HG2 ARG 7 2HG ARG 7 3.141 0.282 2.733
41 HG3 ARG 7 1HG ARG 7 4.703 0.512 1.959
42 HD2 ARG 7 2HD ARG 7 4.943 -0.977 3.845
43 HD3 ARG 7 1HD ARG 7 5.762 0.540 4.207
44 HE ARG 7 HE ARG 7 3.141 0.594 5.206
45 HH11 ARG 7 1HH1 ARG 7 6.237 -1.037 5.823
46 HH12 ARG 7 2HH1 ARG 7 5.970 -1.207 7.487
47 HH21 ARG 7 1HH2 ARG 7 2.747 0.244 7.550
48 HH22 ARG 7 2HH2 ARG 7 3.947 -0.514 8.458
49 H GLY 8 HN GLY 8 6.588 1.051 2.200
50 HA2 GLY 8 2HA GLY 8 8.269 2.399 0.364
51 HA3 GLY 8 1HA GLY 8 8.065 0.663 0.515
52 H GLY 9 HN GLY 9 6.290 3.484 -0.615
53 HA2 GLY 9 2HA GLY 9 5.426 3.926 -2.698
54 HA3 GLY 9 1HA GLY 9 6.011 2.354 -3.222
55 H CYS 10 HN CYS 10 3.815 2.756 -4.274
56 HA CYS 10 HA CYS 10 1.629 1.776 -2.618
57 HB2 CYS 10 2HB CYS 10 1.028 3.533 -4.193
58 HB3 CYS 10 1HB CYS 10 1.747 2.618 -5.512
59 H SER 11 HN SER 11 3.796 0.851 -5.106
60 HA SER 11 HA SER 11 2.483 -1.683 -5.456
61 HB2 SER 11 2HB SER 11 3.510 -0.467 -7.424
62 HB3 SER 11 1HB SER 11 5.089 -0.759 -6.699
63 HG SER 11 HG SER 11 5.042 -2.599 -7.615
64 H SER 12 HN SER 12 2.670 -2.249 -3.348
65 HA SER 12 HA SER 12 5.085 -3.684 -2.735
66 HB2 SER 12 2HB SER 12 5.262 -1.422 -1.615
67 HB3 SER 12 1HB SER 12 3.742 -1.794 -0.795
68 HG SER 12 HG SER 12 6.269 -2.655 -0.280
69 H ARG 13 HN ARG 13 4.488 -5.114 -0.881
70 HA ARG 13 HA ARG 13 2.013 -6.398 -1.584
71 HB2 ARG 13 2HB ARG 13 4.113 -7.620 -0.990
72 HB3 ARG 13 1HB ARG 13 3.901 -7.082 0.668
73 HG2 ARG 13 2HG ARG 13 1.769 -8.264 0.770
74 HG3 ARG 13 1HG ARG 13 2.017 -8.828 -0.883
75 HD2 ARG 13 2HD ARG 13 4.153 -9.871 -0.120
76 HD3 ARG 13 1HD ARG 13 3.694 -9.450 1.532
77 HE ARG 13 HE ARG 13 1.710 -10.875 0.068
78 HH11 ARG 13 1HH1 ARG 13 4.461 -11.217 2.287
79 HH12 ARG 13 2HH1 ARG 13 4.054 -12.803 2.754
80 HH21 ARG 13 1HH2 ARG 13 1.192 -13.062 0.694
81 HH22 ARG 13 2HH2 ARG 13 2.150 -13.875 1.825
82 H TRP 14 HN TRP 14 3.253 -4.603 1.129
83 HA TRP 14 HA TRP 14 1.154 -5.002 2.982
84 HB2 TRP 14 2HB TRP 14 3.546 -3.851 3.202
85 HB3 TRP 14 1HB TRP 14 2.647 -2.397 2.808
86 HD1 TRP 14 1HD TRP 14 3.480 -4.728 5.600
87 HE1 TRP 14 1HE TRP 14 2.354 -3.943 7.781
88 HE3 TRP 14 3HE TRP 14 0.383 -1.145 3.697
89 HZ2 TRP 14 2HZ TRP 14 0.431 -2.090 8.577
90 HZ3 TRP 14 3HZ TRP 14 -1.062 0.080 5.240
91 HH2 TRP 14 2HH TRP 14 -1.038 -0.389 7.635
92 H CYS 15 HN CYS 15 1.652 -2.314 0.773
93 HA CYS 15 HA CYS 15 -0.872 -1.187 1.356
94 HB2 CYS 15 2HB CYS 15 1.272 -0.716 -0.547
95 HB3 CYS 15 1HB CYS 15 -0.235 0.201 -0.633
96 H ARG 16 HN ARG 16 0.063 -3.592 -0.687
97 HA ARG 16 HA ARG 16 -2.123 -3.217 -2.555
98 HB2 ARG 16 2HB ARG 16 0.027 -4.406 -3.100
99 HB3 ARG 16 1HB ARG 16 -0.518 -5.715 -2.072
100 HG2 ARG 16 2HG ARG 16 -2.406 -6.112 -3.538
101 HG3 ARG 16 1HG ARG 16 -1.916 -4.749 -4.556
102 HD2 ARG 16 2HD ARG 16 -0.343 -7.256 -4.021
103 HD3 ARG 16 1HD ARG 16 -1.132 -6.815 -5.536
104 HE ARG 16 HE ARG 16 0.416 -4.899 -5.624
105 HH11 ARG 16 1HH1 ARG 16 1.375 -7.731 -3.665
106 HH12 ARG 16 2HH1 ARG 16 3.032 -7.441 -3.813
107 HH21 ARG 16 1HH2 ARG 16 2.751 -4.558 -5.853
108 HH22 ARG 16 2HH2 ARG 16 3.837 -5.618 -5.100
109 H ASP 17 HN ASP 17 -1.432 -5.191 0.266
110 HA ASP 17 HA ASP 17 -4.040 -6.475 0.141
111 HB2 ASP 17 2HB ASP 17 -1.816 -7.562 0.968
112 HB3 ASP 17 1HB ASP 17 -2.122 -6.659 2.430
113 H HIS 18 HN HIS 18 -2.318 -4.198 2.221
114 HA HIS 18 HA HIS 18 -4.683 -3.846 3.933
115 HB2 HIS 18 2HB HIS 18 -1.892 -2.763 4.397
116 HB3 HIS 18 1HB HIS 18 -3.168 -2.979 5.580
117 HD1 HIS 18 1HD HIS 18 -3.826 -5.921 5.299
118 HD2 HIS 18 2HD HIS 18 0.032 -4.460 5.073
119 HE1 HIS 18 1HE HIS 18 -2.322 -7.882 5.780
120 H ALA 19 HN ALA 19 -4.517 -2.751 1.314
121 HA ALA 19 HA ALA 19 -3.545 -0.186 0.987
122 HB1 ALA 19 1HB ALA 19 -4.366 -1.635 -0.814
123 HB2 ALA 19 2HB ALA 19 -5.009 0.004 -0.895
124 HB3 ALA 19 3HB ALA 19 -6.021 -1.309 -0.290
125 H ARG 20 HN ARG 20 -4.111 1.733 1.522
126 HA ARG 20 HA ARG 20 -6.707 2.213 2.825
127 HB2 ARG 20 2HB ARG 20 -4.691 2.731 4.203
128 HB3 ARG 20 1HB ARG 20 -4.184 3.890 2.985
129 HG2 ARG 20 2HG ARG 20 -5.211 4.991 4.896
130 HG3 ARG 20 1HG ARG 20 -6.163 5.237 3.432
131 HD2 ARG 20 2HD ARG 20 -7.703 3.492 4.121
132 HD3 ARG 20 1HD ARG 20 -6.739 3.181 5.569
133 HE ARG 20 HE ARG 20 -7.374 5.832 5.614
134 HH11 ARG 20 1HH1 ARG 20 -9.217 2.811 5.531
135 HH12 ARG 20 2HH1 ARG 20 -10.520 3.390 6.464
136 HH21 ARG 20 1HH2 ARG 20 -9.177 6.641 6.931
137 HH22 ARG 20 2HH2 ARG 20 -10.502 5.628 7.254
138 H CYS 21 HN CYS 21 -4.341 4.007 0.818
139 HA CYS 21 HA CYS 21 -6.631 4.971 -0.722
140 HB2 CYS 21 2HB CYS 21 -3.836 6.133 -0.524
141 HB3 CYS 21 1HB CYS 21 -5.113 6.769 -1.550
142 H CYS 22 HN CYS 22 -3.158 4.276 -1.316
143 HA CYS 22 HA CYS 22 -4.022 2.967 -3.765
144 HB2 CYS 22 2HB CYS 22 -2.496 5.017 -3.920
145 HB3 CYS 22 1HB CYS 22 -1.265 4.052 -3.116
146 HN1 NH2 23 1H CYS 22 -4.220 0.899 -3.251
147 HN2 NH2 23 2H CYS 22 -3.134 -0.031 -2.275
Start of MODEL 5
1 H1 ARG 1 1HT ARG 1 1.277 3.712 8.644
2 H2 ARG 1 2HT ARG 1 0.252 2.828 9.586
3 H3 ARG 1 3HT ARG 1 -0.265 4.290 8.887
4 HA ARG 1 HA ARG 1 0.464 1.838 7.400
5 HB2 ARG 1 2HB ARG 1 -2.204 3.215 7.555
6 HB3 ARG 1 1HB ARG 1 -1.844 1.693 6.773
7 HG2 ARG 1 2HG ARG 1 -1.550 0.592 8.876
8 HG3 ARG 1 1HG ARG 1 -1.636 2.131 9.737
9 HD2 ARG 1 2HD ARG 1 -3.843 0.841 8.154
10 HD3 ARG 1 1HD ARG 1 -3.761 1.020 9.914
11 HE ARG 1 HE ARG 1 -3.461 3.506 8.674
12 HH11 ARG 1 1HH1 ARG 1 -5.957 1.132 9.467
13 HH12 ARG 1 2HH1 ARG 1 -7.239 2.260 9.406
14 HH21 ARG 1 1HH2 ARG 1 -5.200 5.025 8.531
15 HH22 ARG 1 2HH2 ARG 1 -6.806 4.548 8.840
16 H GLY 2 HN GLY 2 1.986 3.301 6.216
17 HA2 GLY 2 2HA GLY 2 0.924 5.657 4.956
18 HA3 GLY 2 1HA GLY 2 2.549 5.014 4.826
19 H CYS 3 HN CYS 3 -0.595 3.921 4.086
20 HA CYS 3 HA CYS 3 0.306 2.936 1.460
21 HB2 CYS 3 2HB CYS 3 -2.295 2.506 2.907
22 HB3 CYS 3 1HB CYS 3 -1.753 1.646 1.458
23 H CYS 4 HN CYS 4 -0.425 5.578 2.537
24 HA CYS 4 HA CYS 4 -1.847 6.576 0.187
25 HB2 CYS 4 2HB CYS 4 -1.807 7.813 2.957
26 HB3 CYS 4 1HB CYS 4 -2.768 8.370 1.588
27 H ASN 5 HN ASN 5 0.325 7.306 2.858
28 HA ASN 5 HA ASN 5 2.507 7.924 1.150
29 HB2 ASN 5 2HB ASN 5 1.266 10.054 1.167
30 HB3 ASN 5 1HB ASN 5 1.264 10.038 2.918
31 HD21 ASN 5 1HD2 ASN 5 3.098 10.610 4.050
32 HD22 ASN 5 2HD2 ASN 5 4.492 11.283 3.303
33 H GLY 6 HN GLY 6 4.028 6.782 2.203
34 HA2 GLY 6 2HA GLY 6 5.250 7.404 4.488
35 HA3 GLY 6 1HA GLY 6 3.864 6.543 5.112
36 H ARG 7 HN ARG 7 3.696 4.340 3.289
37 HA ARG 7 HA ARG 7 6.039 2.980 4.182
38 HB2 ARG 7 2HB ARG 7 3.440 1.983 3.041
39 HB3 ARG 7 1HB ARG 7 4.814 0.918 3.266
40 HG2 ARG 7 2HG ARG 7 4.553 2.143 5.722
41 HG3 ARG 7 1HG ARG 7 2.884 1.950 5.173
42 HD2 ARG 7 2HD ARG 7 3.584 -0.036 6.462
43 HD3 ARG 7 1HD ARG 7 3.327 -0.496 4.794
44 HE ARG 7 HE ARG 7 5.952 0.127 4.867
45 HH11 ARG 7 1HH1 ARG 7 4.029 -1.976 6.968
46 HH12 ARG 7 2HH1 ARG 7 5.255 -3.127 7.111
47 HH21 ARG 7 1HH2 ARG 7 7.627 -1.455 5.124
48 HH22 ARG 7 2HH2 ARG 7 7.319 -2.835 6.077
49 H GLY 8 HN GLY 8 6.304 0.974 2.269
50 HA2 GLY 8 2HA GLY 8 8.058 1.972 0.430
51 HA3 GLY 8 1HA GLY 8 7.228 0.439 0.267
52 H GLY 9 HN GLY 9 4.588 1.404 -0.142
53 HA2 GLY 9 2HA GLY 9 3.910 3.384 -1.686
54 HA3 GLY 9 1HA GLY 9 4.923 2.499 -2.817
55 H CYS 10 HN CYS 10 3.091 2.252 -4.135
56 HA CYS 10 HA CYS 10 0.778 0.805 -3.147
57 HB2 CYS 10 2HB CYS 10 1.386 1.796 -5.921
58 HB3 CYS 10 1HB CYS 10 -0.177 1.267 -5.309
59 H SER 11 HN SER 11 3.693 0.083 -4.729
60 HA SER 11 HA SER 11 2.633 -2.309 -5.985
61 HB2 SER 11 2HB SER 11 4.376 -0.728 -7.058
62 HB3 SER 11 1HB SER 11 5.523 -1.415 -5.916
63 HG SER 11 HG SER 11 4.207 -3.401 -7.090
64 H SER 12 HN SER 12 4.414 -1.202 -3.206
65 HA SER 12 HA SER 12 5.570 -3.519 -2.329
66 HB2 SER 12 2HB SER 12 4.454 -1.185 -0.786
67 HB3 SER 12 1HB SER 12 5.720 -2.309 -0.279
68 HG SER 12 HG SER 12 7.059 -1.533 -1.845
69 H ARG 13 HN ARG 13 4.724 -5.236 -1.364
70 HA ARG 13 HA ARG 13 2.097 -5.917 -1.711
71 HB2 ARG 13 2HB ARG 13 2.530 -7.928 -0.404
72 HB3 ARG 13 1HB ARG 13 3.799 -7.581 -1.562
73 HG2 ARG 13 2HG ARG 13 5.207 -6.729 0.242
74 HG3 ARG 13 1HG ARG 13 3.912 -7.052 1.401
75 HD2 ARG 13 2HD ARG 13 5.328 -9.080 -0.313
76 HD3 ARG 13 1HD ARG 13 5.539 -8.846 1.425
77 HE ARG 13 HE ARG 13 2.982 -9.325 1.384
78 HH11 ARG 13 1HH1 ARG 13 5.484 -10.979 -0.474
79 HH12 ARG 13 2HH1 ARG 13 4.659 -12.458 -0.572
80 HH21 ARG 13 1HH2 ARG 13 1.824 -11.363 1.274
81 HH22 ARG 13 2HH2 ARG 13 2.522 -12.681 0.463
82 H TRP 14 HN TRP 14 3.464 -4.502 1.191
83 HA TRP 14 HA TRP 14 1.348 -5.151 2.988
84 HB2 TRP 14 2HB TRP 14 3.728 -4.074 3.410
85 HB3 TRP 14 1HB TRP 14 2.867 -2.563 3.155
86 HD1 TRP 14 1HD TRP 14 3.599 -5.155 5.653
87 HE1 TRP 14 1HE TRP 14 2.409 -4.674 7.891
88 HE3 TRP 14 3HE TRP 14 0.505 -1.406 4.139
89 HZ2 TRP 14 2HZ TRP 14 0.456 -2.939 8.874
90 HZ3 TRP 14 3HZ TRP 14 -0.989 -0.387 5.793
91 HH2 TRP 14 2HH TRP 14 -1.009 -1.150 8.118
92 H CYS 15 HN CYS 15 1.935 -2.207 1.184
93 HA CYS 15 HA CYS 15 -0.638 -1.205 1.872
94 HB2 CYS 15 2HB CYS 15 1.684 -0.311 0.364
95 HB3 CYS 15 1HB CYS 15 0.190 0.624 0.343
96 H ARG 16 HN ARG 16 0.620 -3.052 -0.558
97 HA ARG 16 HA ARG 16 -1.330 -2.379 -2.564
98 HB2 ARG 16 2HB ARG 16 0.873 -3.439 -3.063
99 HB3 ARG 16 1HB ARG 16 0.305 -4.897 -2.268
100 HG2 ARG 16 2HG ARG 16 -1.427 -5.156 -3.949
101 HG3 ARG 16 1HG ARG 16 -0.888 -3.672 -4.742
102 HD2 ARG 16 2HD ARG 16 0.032 -5.621 -5.868
103 HD3 ARG 16 1HD ARG 16 1.311 -4.672 -5.112
104 HE ARG 16 HE ARG 16 0.440 -6.648 -3.328
105 HH11 ARG 16 1HH1 ARG 16 2.364 -6.326 -6.287
106 HH12 ARG 16 2HH1 ARG 16 3.240 -7.772 -6.017
107 HH21 ARG 16 1HH2 ARG 16 1.628 -8.590 -2.995
108 HH22 ARG 16 2HH2 ARG 16 2.801 -9.104 -4.114
109 H ASP 17 HN ASP 17 -1.119 -4.563 0.140
110 HA ASP 17 HA ASP 17 -3.656 -5.848 -0.550
111 HB2 ASP 17 2HB ASP 17 -1.631 -7.134 0.434
112 HB3 ASP 17 1HB ASP 17 -2.010 -6.308 1.925
113 H HIS 18 HN HIS 18 -2.179 -4.025 2.097
114 HA HIS 18 HA HIS 18 -4.744 -3.689 3.435
115 HB2 HIS 18 2HB HIS 18 -2.012 -2.703 4.305
116 HB3 HIS 18 1HB HIS 18 -3.439 -2.912 5.306
117 HD1 HIS 18 1HD HIS 18 -4.013 -5.917 4.245
118 HD2 HIS 18 2HD HIS 18 -0.412 -4.435 5.645
119 HE1 HIS 18 1HE HIS 18 -2.715 -7.917 5.013
120 H ALA 19 HN ALA 19 -4.139 -2.426 0.938
121 HA ALA 19 HA ALA 19 -3.416 0.228 0.903
122 HB1 ALA 19 1HB ALA 19 -4.751 0.430 -1.113
123 HB2 ALA 19 2HB ALA 19 -5.600 -1.063 -0.713
124 HB3 ALA 19 3HB ALA 19 -3.878 -1.102 -1.090
125 H ARG 20 HN ARG 20 -4.150 1.836 2.085
126 HA ARG 20 HA ARG 20 -6.948 1.934 2.832
127 HB2 ARG 20 2HB ARG 20 -5.275 2.516 4.571
128 HB3 ARG 20 1HB ARG 20 -4.692 3.836 3.566
129 HG2 ARG 20 2HG ARG 20 -6.139 4.695 5.315
130 HG3 ARG 20 1HG ARG 20 -6.894 4.922 3.734
131 HD2 ARG 20 2HD ARG 20 -8.126 2.739 4.167
132 HD3 ARG 20 1HD ARG 20 -7.534 2.858 5.823
133 HE ARG 20 HE ARG 20 -8.749 5.238 5.288
134 HH11 ARG 20 1HH1 ARG 20 -9.671 1.826 5.424
135 HH12 ARG 20 2HH1 ARG 20 -11.329 2.127 5.689
136 HH21 ARG 20 1HH2 ARG 20 -11.092 5.657 5.715
137 HH22 ARG 20 2HH2 ARG 20 -12.133 4.319 5.871
138 H CYS 21 HN CYS 21 -4.585 3.671 0.891
139 HA CYS 21 HA CYS 21 -6.798 5.141 -0.346
140 HB2 CYS 21 2HB CYS 21 -3.906 5.984 -0.120
141 HB3 CYS 21 1HB CYS 21 -5.181 6.919 -0.885
142 H CYS 22 HN CYS 22 -3.404 4.336 -1.196
143 HA CYS 22 HA CYS 22 -4.363 3.731 -3.866
144 HB2 CYS 22 2HB CYS 22 -2.597 5.367 -3.766
145 HB3 CYS 22 1HB CYS 22 -1.591 4.301 -2.792
146 HN1 NH2 23 1H CYS 22 -1.567 2.357 -2.155
147 HN2 NH2 23 2H CYS 22 -2.075 0.717 -2.350
Start of MODEL 6
1 H1 ARG 1 1HT ARG 1 -2.231 4.661 7.286
2 H2 ARG 1 2HT ARG 1 -0.876 4.815 8.209
3 H3 ARG 1 3HT ARG 1 -2.026 3.666 8.637
4 HA ARG 1 HA ARG 1 -0.113 2.615 7.538
5 HB2 ARG 1 2HB ARG 1 -2.459 2.768 5.592
6 HB3 ARG 1 1HB ARG 1 -1.215 1.549 5.609
7 HG2 ARG 1 2HG ARG 1 -3.092 1.976 7.908
8 HG3 ARG 1 1HG ARG 1 -3.411 0.864 6.578
9 HD2 ARG 1 2HD ARG 1 -1.456 -0.416 7.120
10 HD3 ARG 1 1HD ARG 1 -0.965 0.765 8.330
11 HE ARG 1 HE ARG 1 -3.289 0.136 9.262
12 HH11 ARG 1 1HH1 ARG 1 -0.824 -2.080 8.001
13 HH12 ARG 1 2HH1 ARG 1 -1.303 -3.372 8.998
14 HH21 ARG 1 1HH2 ARG 1 -3.880 -1.591 10.627
15 HH22 ARG 1 2HH2 ARG 1 -3.099 -3.118 10.505
16 H GLY 2 HN GLY 2 1.626 2.855 5.884
17 HA2 GLY 2 2HA GLY 2 1.790 5.418 4.751
18 HA3 GLY 2 1HA GLY 2 2.882 4.083 4.462
19 H CYS 3 HN CYS 3 -0.207 3.149 3.764
20 HA CYS 3 HA CYS 3 0.236 3.319 0.929
21 HB2 CYS 3 2HB CYS 3 -2.291 2.407 2.330
22 HB3 CYS 3 1HB CYS 3 -1.729 2.004 0.716
23 H CYS 4 HN CYS 4 -0.858 5.409 3.209
24 HA CYS 4 HA CYS 4 -2.326 6.923 1.192
25 HB2 CYS 4 2HB CYS 4 -2.396 7.196 4.203
26 HB3 CYS 4 1HB CYS 4 -3.282 8.214 3.068
27 H ASN 5 HN ASN 5 0.205 6.982 3.580
28 HA ASN 5 HA ASN 5 1.732 8.738 1.954
29 HB2 ASN 5 2HB ASN 5 0.264 10.301 3.228
30 HB3 ASN 5 1HB ASN 5 0.951 9.658 4.716
31 HD21 ASN 5 1HD2 ASN 5 1.573 11.543 1.879
32 HD22 ASN 5 2HD2 ASN 5 3.049 12.242 2.396
33 H GLY 6 HN GLY 6 3.529 7.571 1.985
34 HA2 GLY 6 2HA GLY 6 5.512 7.318 3.494
35 HA3 GLY 6 1HA GLY 6 4.397 6.491 4.578
36 H ARG 7 HN ARG 7 5.194 4.479 4.589
37 HA ARG 7 HA ARG 7 5.842 2.493 4.029
38 HB2 ARG 7 2HB ARG 7 3.467 2.467 3.196
39 HB3 ARG 7 1HB ARG 7 4.093 2.877 1.610
40 HG2 ARG 7 2HG ARG 7 3.446 0.538 1.762
41 HG3 ARG 7 1HG ARG 7 5.156 0.659 1.434
42 HD2 ARG 7 2HD ARG 7 3.855 0.102 4.115
43 HD3 ARG 7 1HD ARG 7 4.630 -1.094 3.106
44 HE ARG 7 HE ARG 7 6.529 0.834 3.632
45 HH11 ARG 7 1HH1 ARG 7 4.613 -1.512 5.493
46 HH12 ARG 7 2HH1 ARG 7 5.713 -1.583 6.778
47 HH21 ARG 7 1HH2 ARG 7 8.034 0.706 5.403
48 HH22 ARG 7 2HH2 ARG 7 7.710 -0.299 6.732
49 H GLY 8 HN GLY 8 6.667 1.192 1.555
50 HA2 GLY 8 2HA GLY 8 8.737 2.925 0.574
51 HA3 GLY 8 1HA GLY 8 8.463 1.237 0.141
52 H GLY 9 HN GLY 9 5.938 1.137 -0.736
53 HA2 GLY 9 2HA GLY 9 5.242 3.311 -2.419
54 HA3 GLY 9 1HA GLY 9 5.939 1.956 -3.305
55 H CYS 10 HN CYS 10 3.479 2.518 -3.994
56 HA CYS 10 HA CYS 10 1.484 1.162 -2.437
57 HB2 CYS 10 2HB CYS 10 1.389 2.096 -5.309
58 HB3 CYS 10 1HB CYS 10 0.005 1.598 -4.348
59 H SER 11 HN SER 11 3.709 0.320 -4.872
60 HA SER 11 HA SER 11 2.387 -1.974 -5.906
61 HB2 SER 11 2HB SER 11 4.071 -0.736 -7.199
62 HB3 SER 11 1HB SER 11 5.311 -1.159 -6.028
63 HG SER 11 HG SER 11 3.852 -2.855 -7.736
64 H SER 12 HN SER 12 4.283 -1.380 -3.055
65 HA SER 12 HA SER 12 5.363 -3.880 -2.570
66 HB2 SER 12 2HB SER 12 4.422 -1.764 -0.639
67 HB3 SER 12 1HB SER 12 5.725 -2.936 -0.420
68 HG SER 12 HG SER 12 6.515 -1.858 -2.494
69 H ARG 13 HN ARG 13 4.453 -5.674 -1.605
70 HA ARG 13 HA ARG 13 1.728 -6.095 -1.838
71 HB2 ARG 13 2HB ARG 13 2.035 -8.250 -0.644
72 HB3 ARG 13 1HB ARG 13 3.130 -7.995 -1.987
73 HG2 ARG 13 2HG ARG 13 4.946 -7.525 -0.476
74 HG3 ARG 13 1HG ARG 13 3.851 -7.593 0.910
75 HD2 ARG 13 2HD ARG 13 5.142 -9.681 0.621
76 HD3 ARG 13 1HD ARG 13 3.401 -9.925 0.495
77 HE ARG 13 HE ARG 13 5.093 -9.645 -1.888
78 HH11 ARG 13 1HH1 ARG 13 2.833 -11.599 0.023
79 HH12 ARG 13 2HH1 ARG 13 2.484 -12.703 -1.225
80 HH21 ARG 13 1HH2 ARG 13 4.612 -11.176 -3.622
81 HH22 ARG 13 2HH2 ARG 13 3.538 -12.464 -3.335
82 H TRP 14 HN TRP 14 3.348 -4.778 0.813
83 HA TRP 14 HA TRP 14 1.462 -5.179 2.915
84 HB2 TRP 14 2HB TRP 14 3.855 -4.202 2.965
85 HB3 TRP 14 1HB TRP 14 3.126 -2.712 2.395
86 HD1 TRP 14 1HD TRP 14 3.504 -4.922 5.426
87 HE1 TRP 14 1HE TRP 14 2.838 -3.576 7.543
88 HE3 TRP 14 3HE TRP 14 1.572 -0.790 3.198
89 HZ2 TRP 14 2HZ TRP 14 1.688 -1.131 8.142
90 HZ3 TRP 14 3HZ TRP 14 0.733 1.004 4.599
91 HH2 TRP 14 2HH TRP 14 0.793 0.834 7.045
92 H CYS 15 HN CYS 15 1.809 -2.594 0.542
93 HA CYS 15 HA CYS 15 -0.666 -1.433 1.324
94 HB2 CYS 15 2HB CYS 15 1.408 -0.857 -0.670
95 HB3 CYS 15 1HB CYS 15 -0.166 -0.051 -0.705
96 H ARG 16 HN ARG 16 0.348 -3.731 -0.885
97 HA ARG 16 HA ARG 16 -1.888 -3.502 -2.638
98 HB2 ARG 16 2HB ARG 16 -0.258 -5.960 -1.975
99 HB3 ARG 16 1HB ARG 16 -1.471 -5.885 -3.235
100 HG2 ARG 16 2HG ARG 16 1.073 -4.265 -3.153
101 HG3 ARG 16 1HG ARG 16 0.754 -5.660 -4.186
102 HD2 ARG 16 2HD ARG 16 -0.643 -2.982 -4.249
103 HD3 ARG 16 1HD ARG 16 0.427 -3.656 -5.475
104 HE ARG 16 HE ARG 16 -1.415 -5.521 -5.414
105 HH11 ARG 16 1HH1 ARG 16 -1.859 -1.970 -5.548
106 HH12 ARG 16 2HH1 ARG 16 -3.387 -2.085 -6.260
107 HH21 ARG 16 1HH2 ARG 16 -3.533 -5.606 -6.371
108 HH22 ARG 16 2HH2 ARG 16 -4.347 -4.172 -6.768
109 H ASP 17 HN ASP 17 -1.419 -4.924 0.468
110 HA ASP 17 HA ASP 17 -4.086 -6.132 0.463
111 HB2 ASP 17 2HB ASP 17 -2.055 -7.331 1.433
112 HB3 ASP 17 1HB ASP 17 -2.077 -6.121 2.701
113 H HIS 18 HN HIS 18 -2.147 -3.839 2.333
114 HA HIS 18 HA HIS 18 -4.392 -2.994 3.974
115 HB2 HIS 18 2HB HIS 18 -1.500 -2.014 4.004
116 HB3 HIS 18 1HB HIS 18 -2.702 -1.748 5.250
117 HD1 HIS 18 1HD HIS 18 -3.601 -4.879 5.233
118 HD2 HIS 18 2HD HIS 18 0.238 -3.390 5.628
119 HE1 HIS 18 1HE HIS 18 -2.314 -6.651 6.424
120 H ALA 19 HN ALA 19 -4.346 -2.481 1.188
121 HA ALA 19 HA ALA 19 -3.668 0.163 0.511
122 HB1 ALA 19 1HB ALA 19 -5.054 -0.147 -1.464
123 HB2 ALA 19 2HB ALA 19 -5.704 -1.646 -0.776
124 HB3 ALA 19 3HB ALA 19 -3.991 -1.520 -1.177
125 H ARG 20 HN ARG 20 -4.491 1.443 2.131
126 HA ARG 20 HA ARG 20 -7.343 1.713 2.482
127 HB2 ARG 20 2HB ARG 20 -5.078 3.440 3.500
128 HB3 ARG 20 1HB ARG 20 -6.764 3.611 3.956
129 HG2 ARG 20 2HG ARG 20 -5.003 1.228 4.523
130 HG3 ARG 20 1HG ARG 20 -5.506 2.454 5.687
131 HD2 ARG 20 2HD ARG 20 -7.319 0.535 4.217
132 HD3 ARG 20 1HD ARG 20 -6.852 0.436 5.909
133 HE ARG 20 HE ARG 20 -7.982 2.928 5.560
134 HH11 ARG 20 1HH1 ARG 20 -9.051 -0.437 5.228
135 HH12 ARG 20 2HH1 ARG 20 -10.655 -0.121 5.680
136 HH21 ARG 20 1HH2 ARG 20 -10.221 3.366 6.172
137 HH22 ARG 20 2HH2 ARG 20 -11.335 2.092 6.214
138 H CYS 21 HN CYS 21 -4.759 3.794 1.261
139 HA CYS 21 HA CYS 21 -6.779 5.211 -0.312
140 HB2 CYS 21 2HB CYS 21 -3.972 6.079 0.383
141 HB3 CYS 21 1HB CYS 21 -5.207 7.067 -0.391
142 H CYS 22 HN CYS 22 -3.300 4.369 -0.621
143 HA CYS 22 HA CYS 22 -3.828 3.566 -3.383
144 HB2 CYS 22 2HB CYS 22 -2.525 5.666 -3.197
145 HB3 CYS 22 1HB CYS 22 -1.353 4.838 -2.183
146 HN1 NH2 23 1H CYS 22 -3.918 1.409 -3.169
147 HN2 NH2 23 2H CYS 22 -2.754 0.421 -2.359
Start of MODEL 7
1 H1 ARG 1 1HT ARG 1 -2.203 3.393 7.578
2 H2 ARG 1 2HT ARG 1 -1.334 4.527 8.452
3 H3 ARG 1 3HT ARG 1 -1.592 2.987 9.104
4 HA ARG 1 HA ARG 1 0.663 3.244 8.279
5 HB2 ARG 1 2HB ARG 1 -0.740 1.080 8.010
6 HB3 ARG 1 1HB ARG 1 -0.883 1.546 6.327
7 HG2 ARG 1 2HG ARG 1 0.863 -0.073 6.549
8 HG3 ARG 1 1HG ARG 1 1.576 1.489 6.138
9 HD2 ARG 1 2HD ARG 1 2.832 0.283 7.898
10 HD3 ARG 1 1HD ARG 1 2.232 1.848 8.430
11 HE ARG 1 HE ARG 1 0.309 0.012 9.181
12 HH11 ARG 1 1HH1 ARG 1 3.737 0.452 9.854
13 HH12 ARG 1 2HH1 ARG 1 3.638 -0.060 11.473
14 HH21 ARG 1 1HH2 ARG 1 0.152 -0.687 11.367
15 HH22 ARG 1 2HH2 ARG 1 1.537 -0.745 12.363
16 H GLY 2 HN GLY 2 2.039 3.617 6.281
17 HA2 GLY 2 2HA GLY 2 1.065 5.978 5.049
18 HA3 GLY 2 1HA GLY 2 2.629 5.230 4.889
19 H CYS 3 HN CYS 3 -0.468 3.908 4.056
20 HA CYS 3 HA CYS 3 0.528 3.697 1.298
21 HB2 CYS 3 2HB CYS 3 -2.171 2.697 2.337
22 HB3 CYS 3 1HB CYS 3 -1.442 2.361 0.782
23 H CYS 4 HN CYS 4 -0.748 5.878 3.146
24 HA CYS 4 HA CYS 4 -2.024 7.400 0.963
25 HB2 CYS 4 2HB CYS 4 -2.398 7.764 3.905
26 HB3 CYS 4 1HB CYS 4 -3.331 8.439 2.577
27 H ASN 5 HN ASN 5 0.540 7.038 2.979
28 HA ASN 5 HA ASN 5 1.293 9.897 3.009
29 HB2 ASN 5 2HB ASN 5 0.261 9.505 5.159
30 HB3 ASN 5 1HB ASN 5 1.315 8.134 5.458
31 HD21 ASN 5 1HD2 ASN 5 1.090 11.605 5.354
32 HD22 ASN 5 2HD2 ASN 5 2.545 11.926 6.206
33 H GLY 6 HN GLY 6 2.499 6.569 2.878
34 HA2 GLY 6 2HA GLY 6 4.841 6.887 1.801
35 HA3 GLY 6 1HA GLY 6 5.195 7.493 3.409
36 H ARG 7 HN ARG 7 4.731 4.787 1.457
37 HA ARG 7 HA ARG 7 5.708 3.065 3.575
38 HB2 ARG 7 2HB ARG 7 3.401 2.683 1.767
39 HB3 ARG 7 1HB ARG 7 4.449 1.280 1.951
40 HG2 ARG 7 2HG ARG 7 2.993 2.742 4.163
41 HG3 ARG 7 1HG ARG 7 2.452 1.248 3.406
42 HD2 ARG 7 2HD ARG 7 3.503 0.627 5.453
43 HD3 ARG 7 1HD ARG 7 4.622 0.205 4.177
44 HE ARG 7 HE ARG 7 5.043 2.821 5.137
45 HH11 ARG 7 1HH1 ARG 7 5.813 -0.594 5.795
46 HH12 ARG 7 2HH1 ARG 7 7.150 -0.262 6.771
47 HH21 ARG 7 1HH2 ARG 7 6.924 3.269 6.542
48 HH22 ARG 7 2HH2 ARG 7 7.785 1.970 7.213
49 H GLY 8 HN GLY 8 6.266 0.867 1.860
50 HA2 GLY 8 2HA GLY 8 8.324 1.940 0.169
51 HA3 GLY 8 1HA GLY 8 7.937 0.239 0.418
52 H GLY 9 HN GLY 9 6.239 3.043 -0.880
53 HA2 GLY 9 2HA GLY 9 5.336 3.416 -2.984
54 HA3 GLY 9 1HA GLY 9 6.030 1.888 -3.511
55 H CYS 10 HN CYS 10 3.621 2.460 -4.446
56 HA CYS 10 HA CYS 10 1.538 1.378 -2.771
57 HB2 CYS 10 2HB CYS 10 1.525 2.053 -5.722
58 HB3 CYS 10 1HB CYS 10 0.109 1.680 -4.748
59 H SER 11 HN SER 11 3.917 0.225 -4.872
60 HA SER 11 HA SER 11 2.583 -2.210 -5.576
61 HB2 SER 11 2HB SER 11 4.232 -1.063 -7.093
62 HB3 SER 11 1HB SER 11 5.508 -1.443 -5.948
63 HG SER 11 HG SER 11 3.851 -3.287 -7.304
64 H SER 12 HN SER 12 3.946 -1.080 -2.777
65 HA SER 12 HA SER 12 5.337 -3.317 -1.801
66 HB2 SER 12 2HB SER 12 5.445 -1.177 -0.656
67 HB3 SER 12 1HB SER 12 3.696 -1.269 -0.333
68 HG SER 12 HG SER 12 5.708 -2.201 1.104
69 H ARG 13 HN ARG 13 4.613 -4.841 -0.461
70 HA ARG 13 HA ARG 13 2.222 -6.133 -1.413
71 HB2 ARG 13 2HB ARG 13 4.001 -6.966 0.885
72 HB3 ARG 13 1HB ARG 13 2.789 -7.966 0.107
73 HG2 ARG 13 2HG ARG 13 4.035 -7.915 -1.971
74 HG3 ARG 13 1HG ARG 13 5.243 -6.860 -1.235
75 HD2 ARG 13 2HD ARG 13 5.714 -8.624 0.425
76 HD3 ARG 13 1HD ARG 13 4.568 -9.674 -0.405
77 HE ARG 13 HE ARG 13 6.361 -8.826 -2.310
78 HH11 ARG 13 1HH1 ARG 13 6.516 -10.673 0.698
79 HH12 ARG 13 2HH1 ARG 13 7.845 -11.615 0.244
80 HH21 ARG 13 1HH2 ARG 13 8.199 -10.116 -2.975
81 HH22 ARG 13 2HH2 ARG 13 8.846 -11.270 -1.914
82 H TRP 14 HN TRP 14 3.058 -4.186 1.259
83 HA TRP 14 HA TRP 14 0.868 -4.847 2.984
84 HB2 TRP 14 2HB TRP 14 3.126 -3.499 3.447
85 HB3 TRP 14 1HB TRP 14 2.146 -2.126 2.948
86 HD1 TRP 14 1HD TRP 14 3.011 -4.149 5.837
87 HE1 TRP 14 1HE TRP 14 1.479 -3.664 7.859
88 HE3 TRP 14 3HE TRP 14 -0.571 -1.378 3.510
89 HZ2 TRP 14 2HZ TRP 14 -0.905 -2.309 8.390
90 HZ3 TRP 14 3HZ TRP 14 -2.440 -0.517 4.844
91 HH2 TRP 14 2HH TRP 14 -2.597 -0.974 7.247
92 H CYS 15 HN CYS 15 1.512 -2.131 0.853
93 HA CYS 15 HA CYS 15 -1.047 -1.048 1.121
94 HB2 CYS 15 2HB CYS 15 1.180 -0.582 -0.784
95 HB3 CYS 15 1HB CYS 15 -0.292 0.391 -0.672
96 H ARG 16 HN ARG 16 0.273 -3.417 -0.985
97 HA ARG 16 HA ARG 16 -1.835 -3.211 -2.893
98 HB2 ARG 16 2HB ARG 16 0.065 -5.477 -2.302
99 HB3 ARG 16 1HB ARG 16 -1.163 -5.567 -3.551
100 HG2 ARG 16 2HG ARG 16 -0.125 -3.609 -4.651
101 HG3 ARG 16 1HG ARG 16 1.143 -3.634 -3.427
102 HD2 ARG 16 2HD ARG 16 1.868 -4.762 -5.473
103 HD3 ARG 16 1HD ARG 16 1.778 -5.886 -4.121
104 HE ARG 16 HE ARG 16 -0.656 -6.081 -5.314
105 HH11 ARG 16 1HH1 ARG 16 2.639 -6.406 -6.640
106 HH12 ARG 16 2HH1 ARG 16 2.211 -7.692 -7.652
107 HH21 ARG 16 1HH2 ARG 16 -1.191 -7.845 -6.744
108 HH22 ARG 16 2HH2 ARG 16 0.006 -8.493 -7.750
109 H ASP 17 HN ASP 17 -1.354 -5.111 0.039
110 HA ASP 17 HA ASP 17 -3.820 -6.583 -0.439
111 HB2 ASP 17 2HB ASP 17 -1.722 -7.574 0.680
112 HB3 ASP 17 1HB ASP 17 -2.167 -6.605 2.059
113 H HIS 18 HN HIS 18 -2.548 -4.340 1.986
114 HA HIS 18 HA HIS 18 -5.211 -4.180 3.222
115 HB2 HIS 18 2HB HIS 18 -2.706 -3.025 4.424
116 HB3 HIS 18 1HB HIS 18 -4.138 -3.617 5.233
117 HD1 HIS 18 1HD HIS 18 -4.190 -6.568 4.473
118 HD2 HIS 18 2HD HIS 18 -0.673 -4.498 5.166
119 HE1 HIS 18 1HE HIS 18 -2.483 -8.304 5.119
120 H ALA 19 HN ALA 19 -4.631 -2.870 0.818
121 HA ALA 19 HA ALA 19 -3.631 -0.315 0.784
122 HB1 ALA 19 1HB ALA 19 -4.983 0.148 -1.119
123 HB2 ALA 19 2HB ALA 19 -6.061 -1.203 -0.748
124 HB3 ALA 19 3HB ALA 19 -4.380 -1.507 -1.210
125 H ARG 20 HN ARG 20 -4.019 1.136 2.241
126 HA ARG 20 HA ARG 20 -6.657 1.704 3.227
127 HB2 ARG 20 2HB ARG 20 -4.656 1.917 4.668
128 HB3 ARG 20 1HB ARG 20 -4.045 3.182 3.624
129 HG2 ARG 20 2HG ARG 20 -5.010 4.082 5.677
130 HG3 ARG 20 1HG ARG 20 -5.872 4.627 4.239
131 HD2 ARG 20 2HD ARG 20 -7.411 4.046 6.052
132 HD3 ARG 20 1HD ARG 20 -7.636 2.999 4.658
133 HE ARG 20 HE ARG 20 -5.858 1.746 6.395
134 HH11 ARG 20 1HH1 ARG 20 -9.244 2.758 6.393
135 HH12 ARG 20 2HH1 ARG 20 -9.770 1.508 7.411
136 HH21 ARG 20 1HH2 ARG 20 -6.611 -0.018 7.817
137 HH22 ARG 20 2HH2 ARG 20 -8.243 -0.079 8.246
138 H CYS 21 HN CYS 21 -4.393 3.023 0.915
139 HA CYS 21 HA CYS 21 -6.544 4.554 -0.291
140 HB2 CYS 21 2HB CYS 21 -3.815 5.788 0.254
141 HB3 CYS 21 1HB CYS 21 -5.146 6.561 -0.593
142 H CYS 22 HN CYS 22 -2.984 4.374 -0.811
143 HA CYS 22 HA CYS 22 -3.552 3.344 -3.485
144 HB2 CYS 22 2HB CYS 22 -2.344 5.554 -3.255
145 HB3 CYS 22 1HB CYS 22 -1.048 4.702 -2.433
146 HN1 NH2 23 1H CYS 22 -3.606 1.175 -3.123
147 HN2 NH2 23 2H CYS 22 -2.353 0.251 -2.384
Start of MODEL 8
1 H1 ARG 1 1HT ARG 1 -2.094 3.893 7.983
2 H2 ARG 1 2HT ARG 1 -0.543 3.905 8.542
3 H3 ARG 1 3HT ARG 1 -1.513 2.597 8.929
4 HA ARG 1 HA ARG 1 0.031 2.002 7.184
5 HB2 ARG 1 2HB ARG 1 -2.770 2.512 6.132
6 HB3 ARG 1 1HB ARG 1 -1.538 1.775 5.134
7 HG2 ARG 1 2HG ARG 1 -2.888 0.038 5.969
8 HG3 ARG 1 1HG ARG 1 -1.377 -0.050 6.850
9 HD2 ARG 1 2HD ARG 1 -2.524 1.228 8.700
10 HD3 ARG 1 1HD ARG 1 -4.026 0.996 7.808
11 HE ARG 1 HE ARG 1 -2.535 -1.393 8.214
12 HH11 ARG 1 1HH1 ARG 1 -4.944 0.733 9.758
13 HH12 ARG 1 2HH1 ARG 1 -5.579 -0.510 10.728
14 HH21 ARG 1 1HH2 ARG 1 -3.414 -3.032 9.519
15 HH22 ARG 1 2HH2 ARG 1 -4.700 -2.704 10.598
16 H GLY 2 HN GLY 2 1.557 2.902 5.695
17 HA2 GLY 2 2HA GLY 2 1.159 5.654 4.922
18 HA3 GLY 2 1HA GLY 2 2.566 4.650 4.669
19 H CYS 3 HN CYS 3 -0.667 3.945 3.864
20 HA CYS 3 HA CYS 3 0.150 3.427 1.109
21 HB2 CYS 3 2HB CYS 3 -2.428 2.753 2.504
22 HB3 CYS 3 1HB CYS 3 -1.922 2.191 0.913
23 H CYS 4 HN CYS 4 -0.669 5.947 2.642
24 HA CYS 4 HA CYS 4 -1.916 7.089 0.261
25 HB2 CYS 4 2HB CYS 4 -2.199 8.291 3.048
26 HB3 CYS 4 1HB CYS 4 -3.082 8.721 1.597
27 H ASN 5 HN ASN 5 0.289 7.369 2.942
28 HA ASN 5 HA ASN 5 2.469 8.314 1.411
29 HB2 ASN 5 2HB ASN 5 1.090 10.413 1.757
30 HB3 ASN 5 1HB ASN 5 1.354 10.229 3.476
31 HD21 ASN 5 1HD2 ASN 5 2.146 12.469 1.916
32 HD22 ASN 5 2HD2 ASN 5 3.858 12.597 2.005
33 H GLY 6 HN GLY 6 3.962 7.016 2.371
34 HA2 GLY 6 2HA GLY 6 5.448 7.192 4.421
35 HA3 GLY 6 1HA GLY 6 3.974 6.956 5.332
36 H ARG 7 HN ARG 7 4.899 5.159 2.415
37 HA ARG 7 HA ARG 7 5.830 2.970 3.961
38 HB2 ARG 7 2HB ARG 7 3.463 2.487 4.035
39 HB3 ARG 7 1HB ARG 7 3.286 2.736 2.312
40 HG2 ARG 7 2HG ARG 7 3.180 0.367 2.957
41 HG3 ARG 7 1HG ARG 7 4.514 0.699 1.861
42 HD2 ARG 7 2HD ARG 7 5.199 -0.833 3.631
43 HD3 ARG 7 1HD ARG 7 6.063 0.696 3.744
44 HE ARG 7 HE ARG 7 3.837 0.790 5.432
45 HH11 ARG 7 1HH1 ARG 7 6.964 -0.771 5.126
46 HH12 ARG 7 2HH1 ARG 7 7.141 -1.175 6.763
47 HH21 ARG 7 1HH2 ARG 7 4.056 0.322 7.741
48 HH22 ARG 7 2HH2 ARG 7 5.437 -0.490 8.310
49 H GLY 8 HN GLY 8 6.959 1.401 2.443
50 HA2 GLY 8 2HA GLY 8 8.213 2.751 0.285
51 HA3 GLY 8 1HA GLY 8 8.488 1.095 0.785
52 H GLY 9 HN GLY 9 5.953 3.011 -0.732
53 HA2 GLY 9 2HA GLY 9 5.384 2.817 -3.034
54 HA3 GLY 9 1HA GLY 9 6.004 1.179 -3.030
55 H CYS 10 HN CYS 10 3.397 2.535 -3.708
56 HA CYS 10 HA CYS 10 1.458 1.339 -1.966
57 HB2 CYS 10 2HB CYS 10 1.051 2.404 -4.768
58 HB3 CYS 10 1HB CYS 10 -0.175 2.154 -3.531
59 H SER 11 HN SER 11 3.256 0.436 -4.710
60 HA SER 11 HA SER 11 1.528 -1.735 -5.524
61 HB2 SER 11 2HB SER 11 2.804 -0.385 -7.191
62 HB3 SER 11 1HB SER 11 4.306 -0.986 -6.500
63 HG SER 11 HG SER 11 3.939 -2.923 -7.287
64 H SER 12 HN SER 12 3.736 -1.267 -3.118
65 HA SER 12 HA SER 12 5.083 -3.771 -3.070
66 HB2 SER 12 2HB SER 12 5.728 -1.620 -1.797
67 HB3 SER 12 1HB SER 12 4.362 -2.036 -0.746
68 HG SER 12 HG SER 12 6.494 -3.803 -1.233
69 H ARG 13 HN ARG 13 4.552 -5.427 -1.525
70 HA ARG 13 HA ARG 13 1.851 -6.251 -1.876
71 HB2 ARG 13 2HB ARG 13 3.681 -7.888 -1.757
72 HB3 ARG 13 1HB ARG 13 3.962 -7.455 -0.081
73 HG2 ARG 13 2HG ARG 13 1.814 -8.337 0.567
74 HG3 ARG 13 1HG ARG 13 1.407 -8.663 -1.117
75 HD2 ARG 13 2HD ARG 13 3.711 -9.904 0.372
76 HD3 ARG 13 1HD ARG 13 2.143 -10.672 0.126
77 HE ARG 13 HE ARG 13 3.032 -9.935 -2.359
78 HH11 ARG 13 1HH1 ARG 13 4.300 -12.034 0.216
79 HH12 ARG 13 2HH1 ARG 13 4.950 -13.179 -0.852
80 HH21 ARG 13 1HH2 ARG 13 3.997 -11.513 -3.832
81 HH22 ARG 13 2HH2 ARG 13 4.797 -12.865 -3.182
82 H TRP 14 HN TRP 14 3.486 -4.660 0.630
83 HA TRP 14 HA TRP 14 1.688 -5.016 2.796
84 HB2 TRP 14 2HB TRP 14 4.117 -3.945 2.623
85 HB3 TRP 14 1HB TRP 14 3.209 -2.472 2.326
86 HD1 TRP 14 1HD TRP 14 4.219 -4.871 5.034
87 HE1 TRP 14 1HE TRP 14 3.474 -3.941 7.331
88 HE3 TRP 14 3HE TRP 14 1.323 -0.987 3.453
89 HZ2 TRP 14 2HZ TRP 14 1.892 -1.875 8.315
90 HZ3 TRP 14 3HZ TRP 14 0.239 0.411 5.125
91 HH2 TRP 14 2HH TRP 14 0.532 -0.036 7.539
92 H CYS 15 HN CYS 15 1.947 -2.187 0.684
93 HA CYS 15 HA CYS 15 -0.600 -1.287 1.526
94 HB2 CYS 15 2HB CYS 15 1.445 -0.430 -0.351
95 HB3 CYS 15 1HB CYS 15 -0.146 0.311 -0.428
96 H ARG 16 HN ARG 16 0.441 -3.302 -0.959
97 HA ARG 16 HA ARG 16 -1.885 -2.944 -2.561
98 HB2 ARG 16 2HB ARG 16 0.196 -3.933 -3.480
99 HB3 ARG 16 1HB ARG 16 -0.021 -5.331 -2.442
100 HG2 ARG 16 2HG ARG 16 -0.684 -5.765 -4.767
101 HG3 ARG 16 1HG ARG 16 -2.020 -5.960 -3.635
102 HD2 ARG 16 2HD ARG 16 -2.749 -4.782 -5.629
103 HD3 ARG 16 1HD ARG 16 -2.855 -3.740 -4.220
104 HE ARG 16 HE ARG 16 -0.573 -3.623 -6.054
105 HH11 ARG 16 1HH1 ARG 16 -3.235 -1.978 -4.366
106 HH12 ARG 16 2HH1 ARG 16 -2.885 -0.436 -4.984
107 HH21 ARG 16 1HH2 ARG 16 -0.129 -1.467 -6.973
108 HH22 ARG 16 2HH2 ARG 16 -1.060 -0.130 -6.483
109 H ASP 17 HN ASP 17 -1.200 -4.678 0.327
110 HA ASP 17 HA ASP 17 -3.742 -6.154 0.137
111 HB2 ASP 17 2HB ASP 17 -1.522 -7.304 0.834
112 HB3 ASP 17 1HB ASP 17 -1.710 -6.416 2.323
113 H HIS 18 HN HIS 18 -1.931 -3.989 2.243
114 HA HIS 18 HA HIS 18 -4.179 -3.618 4.070
115 HB2 HIS 18 2HB HIS 18 -1.389 -2.402 4.207
116 HB3 HIS 18 1HB HIS 18 -2.556 -2.485 5.510
117 HD1 HIS 18 1HD HIS 18 -3.192 -5.514 5.467
118 HD2 HIS 18 2HD HIS 18 0.614 -3.959 5.057
119 HE1 HIS 18 1HE HIS 18 -1.634 -7.365 6.110
120 H ALA 19 HN ALA 19 -4.202 -2.649 1.343
121 HA ALA 19 HA ALA 19 -3.561 -0.011 0.878
122 HB1 ALA 19 1HB ALA 19 -5.138 -0.046 -0.910
123 HB2 ALA 19 2HB ALA 19 -5.946 -1.453 -0.219
124 HB3 ALA 19 3HB ALA 19 -4.294 -1.595 -0.832
125 H ARG 20 HN ARG 20 -4.196 1.771 1.711
126 HA ARG 20 HA ARG 20 -6.916 1.993 2.783
127 HB2 ARG 20 2HB ARG 20 -5.065 2.485 4.398
128 HB3 ARG 20 1HB ARG 20 -4.552 3.803 3.360
129 HG2 ARG 20 2HG ARG 20 -5.846 4.587 5.291
130 HG3 ARG 20 1HG ARG 20 -6.630 4.983 3.764
131 HD2 ARG 20 2HD ARG 20 -8.227 4.169 5.471
132 HD3 ARG 20 1HD ARG 20 -8.191 3.151 4.040
133 HE ARG 20 HE ARG 20 -6.417 1.983 5.758
134 HH11 ARG 20 1HH1 ARG 20 -9.836 2.845 6.050
135 HH12 ARG 20 2HH1 ARG 20 -10.224 1.518 7.043
136 HH21 ARG 20 1HH2 ARG 20 -6.956 0.193 7.129
137 HH22 ARG 20 2HH2 ARG 20 -8.553 0.005 7.703
138 H CYS 21 HN CYS 21 -4.466 3.797 0.910
139 HA CYS 21 HA CYS 21 -6.674 4.984 -0.587
140 HB2 CYS 21 2HB CYS 21 -3.875 6.099 -0.182
141 HB3 CYS 21 1HB CYS 21 -5.166 6.872 -1.096
142 H CYS 22 HN CYS 22 -3.161 4.278 -1.043
143 HA CYS 22 HA CYS 22 -3.876 3.049 -3.569
144 HB2 CYS 22 2HB CYS 22 -1.498 3.531 -4.216
145 HB3 CYS 22 1HB CYS 22 -2.445 4.960 -3.848
146 HN1 NH2 23 1H CYS 22 -4.071 0.936 -3.281
147 HN2 NH2 23 2H CYS 22 -3.056 -0.047 -2.273
Start of MODEL 9
1 H1 ARG 1 1HT ARG 1 -1.870 5.074 8.237
2 H2 ARG 1 2HT ARG 1 -2.128 5.636 6.679
3 H3 ARG 1 3HT ARG 1 -0.780 6.139 7.552
4 HA ARG 1 HA ARG 1 0.154 4.014 7.556
5 HB2 ARG 1 2HB ARG 1 -2.212 3.206 5.853
6 HB3 ARG 1 1HB ARG 1 -0.786 2.220 6.129
7 HG2 ARG 1 2HG ARG 1 -2.785 3.106 8.193
8 HG3 ARG 1 1HG ARG 1 -2.529 1.473 7.580
9 HD2 ARG 1 2HD ARG 1 -0.277 1.440 8.537
10 HD3 ARG 1 1HD ARG 1 -0.489 3.102 9.084
11 HE ARG 1 HE ARG 1 -2.498 1.413 10.011
12 HH11 ARG 1 1HH1 ARG 1 0.826 2.502 10.601
13 HH12 ARG 1 2HH1 ARG 1 0.851 2.115 12.248
14 HH21 ARG 1 1HH2 ARG 1 -2.493 0.851 12.335
15 HH22 ARG 1 2HH2 ARG 1 -1.098 1.148 13.252
16 H GLY 2 HN GLY 2 1.463 3.213 5.726
17 HA2 GLY 2 2HA GLY 2 2.266 5.413 4.241
18 HA3 GLY 2 1HA GLY 2 2.890 3.788 4.126
19 H CYS 3 HN CYS 3 -0.086 3.141 3.448
20 HA CYS 3 HA CYS 3 0.249 3.346 0.585
21 HB2 CYS 3 2HB CYS 3 -2.196 2.368 2.063
22 HB3 CYS 3 1HB CYS 3 -1.643 1.944 0.447
23 H CYS 4 HN CYS 4 -0.473 5.484 2.680
24 HA CYS 4 HA CYS 4 -2.156 7.021 0.864
25 HB2 CYS 4 2HB CYS 4 -2.018 7.339 3.875
26 HB3 CYS 4 1HB CYS 4 -3.098 8.176 2.760
27 H ASN 5 HN ASN 5 0.482 6.910 3.193
28 HA ASN 5 HA ASN 5 2.120 8.659 1.700
29 HB2 ASN 5 2HB ASN 5 0.502 10.239 2.830
30 HB3 ASN 5 1HB ASN 5 1.151 9.704 4.364
31 HD21 ASN 5 1HD2 ASN 5 1.180 12.360 3.204
32 HD22 ASN 5 2HD2 ASN 5 2.837 12.846 3.114
33 H GLY 6 HN GLY 6 4.006 7.601 2.034
34 HA2 GLY 6 2HA GLY 6 5.956 7.283 3.338
35 HA3 GLY 6 1HA GLY 6 4.978 7.399 4.784
36 H ARG 7 HN ARG 7 5.548 5.255 2.025
37 HA ARG 7 HA ARG 7 5.595 2.997 3.882
38 HB2 ARG 7 2HB ARG 7 3.404 3.130 2.429
39 HB3 ARG 7 1HB ARG 7 4.475 2.896 1.084
40 HG2 ARG 7 2HG ARG 7 3.336 0.847 1.586
41 HG3 ARG 7 1HG ARG 7 5.056 0.667 1.859
42 HD2 ARG 7 2HD ARG 7 2.998 1.151 4.038
43 HD3 ARG 7 1HD ARG 7 3.590 -0.439 3.581
44 HE ARG 7 HE ARG 7 5.621 1.452 4.365
45 HH11 ARG 7 1HH1 ARG 7 3.456 -1.146 5.495
46 HH12 ARG 7 2HH1 ARG 7 4.408 -1.500 6.847
47 HH21 ARG 7 1HH2 ARG 7 6.873 0.937 6.268
48 HH22 ARG 7 2HH2 ARG 7 6.368 -0.320 7.293
49 H GLY 8 HN GLY 8 6.725 1.040 2.256
50 HA2 GLY 8 2HA GLY 8 9.164 2.096 1.268
51 HA3 GLY 8 1HA GLY 8 8.550 0.458 1.034
52 H GLY 9 HN GLY 9 6.076 1.274 -0.072
53 HA2 GLY 9 2HA GLY 9 6.211 3.058 -2.178
54 HA3 GLY 9 1HA GLY 9 6.632 1.454 -2.785
55 H CYS 10 HN CYS 10 4.236 3.008 -3.346
56 HA CYS 10 HA CYS 10 2.083 1.733 -1.947
57 HB2 CYS 10 2HB CYS 10 1.738 3.953 -2.913
58 HB3 CYS 10 1HB CYS 10 2.103 3.347 -4.521
59 H SER 11 HN SER 11 4.137 0.842 -4.453
60 HA SER 11 HA SER 11 2.357 -1.056 -5.679
61 HB2 SER 11 2HB SER 11 4.191 0.142 -6.923
62 HB3 SER 11 1HB SER 11 5.360 -0.796 -5.999
63 HG SER 11 HG SER 11 4.107 -1.441 -8.220
64 H SER 12 HN SER 12 3.880 -0.968 -2.761
65 HA SER 12 HA SER 12 5.024 -3.537 -2.571
66 HB2 SER 12 2HB SER 12 5.673 -1.785 -1.021
67 HB3 SER 12 1HB SER 12 4.002 -1.663 -0.441
68 HG SER 12 HG SER 12 5.790 -3.838 -0.149
69 H ARG 13 HN ARG 13 4.255 -5.189 -1.313
70 HA ARG 13 HA ARG 13 1.630 -6.063 -2.018
71 HB2 ARG 13 2HB ARG 13 3.497 -7.658 -1.775
72 HB3 ARG 13 1HB ARG 13 3.600 -7.272 -0.069
73 HG2 ARG 13 2HG ARG 13 1.361 -8.195 0.283
74 HG3 ARG 13 1HG ARG 13 1.272 -8.606 -1.430
75 HD2 ARG 13 2HD ARG 13 3.386 -9.617 0.456
76 HD3 ARG 13 1HD ARG 13 1.917 -10.501 0.058
77 HE ARG 13 HE ARG 13 2.905 -10.084 -2.353
78 HH11 ARG 13 1HH1 ARG 13 4.712 -11.051 0.536
79 HH12 ARG 13 2HH1 ARG 13 5.717 -12.152 -0.261
80 HH21 ARG 13 1HH2 ARG 13 4.276 -11.564 -3.466
81 HH22 ARG 13 2HH2 ARG 13 5.487 -12.438 -2.650
82 H TRP 14 HN TRP 14 3.066 -4.566 0.729
83 HA TRP 14 HA TRP 14 1.097 -4.983 2.710
84 HB2 TRP 14 2HB TRP 14 3.476 -3.791 2.760
85 HB3 TRP 14 1HB TRP 14 2.530 -2.359 2.389
86 HD1 TRP 14 1HD TRP 14 3.578 -4.579 5.167
87 HE1 TRP 14 1HE TRP 14 2.561 -3.789 7.403
88 HE3 TRP 14 3HE TRP 14 0.233 -1.148 3.398
89 HZ2 TRP 14 2HZ TRP 14 0.620 -1.975 8.291
90 HZ3 TRP 14 3HZ TRP 14 -1.161 0.062 5.007
91 HH2 TRP 14 2HH TRP 14 -0.967 -0.346 7.411
92 H CYS 15 HN CYS 15 1.435 -2.453 0.291
93 HA CYS 15 HA CYS 15 -1.027 -1.231 0.987
94 HB2 CYS 15 2HB CYS 15 0.940 -0.929 -1.185
95 HB3 CYS 15 1HB CYS 15 -0.515 0.070 -1.018
96 H ARG 16 HN ARG 16 -0.123 -3.761 -0.924
97 HA ARG 16 HA ARG 16 -2.345 -3.532 -2.741
98 HB2 ARG 16 2HB ARG 16 -0.139 -4.613 -3.295
99 HB3 ARG 16 1HB ARG 16 -0.602 -5.930 -2.239
100 HG2 ARG 16 2HG ARG 16 -2.407 -6.548 -3.650
101 HG3 ARG 16 1HG ARG 16 -2.207 -5.094 -4.633
102 HD2 ARG 16 2HD ARG 16 -0.200 -7.322 -4.338
103 HD3 ARG 16 1HD ARG 16 -1.230 -7.034 -5.744
104 HE ARG 16 HE ARG 16 0.407 -4.793 -5.004
105 HH11 ARG 16 1HH1 ARG 16 0.298 -7.736 -6.951
106 HH12 ARG 16 2HH1 ARG 16 1.529 -7.249 -8.023
107 HH21 ARG 16 1HH2 ARG 16 2.088 -4.099 -6.447
108 HH22 ARG 16 2HH2 ARG 16 2.559 -5.117 -7.738
109 H ASP 17 HN ASP 17 -1.542 -5.321 0.176
110 HA ASP 17 HA ASP 17 -4.104 -6.731 0.149
111 HB2 ASP 17 2HB ASP 17 -1.815 -7.725 0.917
112 HB3 ASP 17 1HB ASP 17 -2.097 -6.803 2.376
113 H HIS 18 HN HIS 18 -2.395 -4.277 2.009
114 HA HIS 18 HA HIS 18 -4.705 -3.897 3.793
115 HB2 HIS 18 2HB HIS 18 -1.913 -2.784 4.196
116 HB3 HIS 18 1HB HIS 18 -3.165 -3.023 5.401
117 HD1 HIS 18 1HD HIS 18 -3.731 -5.945 5.326
118 HD2 HIS 18 2HD HIS 18 0.067 -4.469 4.662
119 HE1 HIS 18 1HE HIS 18 -2.164 -7.851 5.822
120 H ALA 19 HN ALA 19 -4.721 -2.964 1.183
121 HA ALA 19 HA ALA 19 -3.785 -0.382 0.696
122 HB1 ALA 19 1HB ALA 19 -4.588 -1.885 -1.045
123 HB2 ALA 19 2HB ALA 19 -5.339 -0.291 -1.110
124 HB3 ALA 19 3HB ALA 19 -6.247 -1.665 -0.463
125 H ARG 20 HN ARG 20 -4.199 1.019 2.294
126 HA ARG 20 HA ARG 20 -6.859 1.487 3.268
127 HB2 ARG 20 2HB ARG 20 -4.343 3.124 3.639
128 HB3 ARG 20 1HB ARG 20 -5.863 3.412 4.472
129 HG2 ARG 20 2HG ARG 20 -4.133 0.953 4.717
130 HG3 ARG 20 1HG ARG 20 -4.321 2.227 5.921
131 HD2 ARG 20 2HD ARG 20 -6.477 0.353 4.937
132 HD3 ARG 20 1HD ARG 20 -5.676 0.295 6.503
133 HE ARG 20 HE ARG 20 -6.632 2.699 6.658
134 HH11 ARG 20 1HH1 ARG 20 -8.313 -0.093 5.225
135 HH12 ARG 20 2HH1 ARG 20 -9.857 0.418 5.704
136 HH21 ARG 20 1HH2 ARG 20 -8.748 3.393 7.294
137 HH22 ARG 20 2HH2 ARG 20 -10.117 2.419 6.945
138 H CYS 21 HN CYS 21 -4.595 3.513 1.407
139 HA CYS 21 HA CYS 21 -6.953 4.800 0.270
140 HB2 CYS 21 2HB CYS 21 -4.095 5.806 0.326
141 HB3 CYS 21 1HB CYS 21 -5.495 6.697 -0.266
142 H CYS 22 HN CYS 22 -3.565 4.194 -0.896
143 HA CYS 22 HA CYS 22 -4.816 3.322 -3.349
144 HB2 CYS 22 2HB CYS 22 -2.676 3.667 -4.440
145 HB3 CYS 22 1HB CYS 22 -3.113 5.123 -3.568
146 HN1 NH2 23 1H CYS 22 -5.024 1.258 -3.693
147 HN2 NH2 23 2H CYS 22 -4.160 0.011 -2.864
Start of MODEL 10
1 H1 ARG 1 1HT ARG 1 -1.610 2.441 8.089
2 H2 ARG 1 2HT ARG 1 -0.922 3.600 9.080
3 H3 ARG 1 3HT ARG 1 -0.780 1.978 9.491
4 HA ARG 1 HA ARG 1 1.259 2.884 8.600
5 HB2 ARG 1 2HB ARG 1 0.593 0.479 8.244
6 HB3 ARG 1 1HB ARG 1 -0.099 0.949 6.705
7 HG2 ARG 1 2HG ARG 1 2.079 -0.137 6.467
8 HG3 ARG 1 1HG ARG 1 2.081 1.510 5.844
9 HD2 ARG 1 2HD ARG 1 4.120 0.996 7.090
10 HD3 ARG 1 1HD ARG 1 3.210 2.295 7.848
11 HE ARG 1 HE ARG 1 2.552 -0.194 9.036
12 HH11 ARG 1 1HH1 ARG 1 5.310 2.064 8.852
13 HH12 ARG 1 2HH1 ARG 1 5.785 1.778 10.459
14 HH21 ARG 1 1HH2 ARG 1 3.267 -0.571 11.220
15 HH22 ARG 1 2HH2 ARG 1 4.615 0.274 11.825
16 H GLY 2 HN GLY 2 2.366 3.719 6.576
17 HA2 GLY 2 2HA GLY 2 0.874 5.968 5.647
18 HA3 GLY 2 1HA GLY 2 2.508 5.533 5.305
19 H CYS 3 HN CYS 3 -0.364 3.732 4.577
20 HA CYS 3 HA CYS 3 0.564 3.724 1.822
21 HB2 CYS 3 2HB CYS 3 -1.897 2.331 2.925
22 HB3 CYS 3 1HB CYS 3 -1.289 2.186 1.289
23 H CYS 4 HN CYS 4 -1.127 5.795 3.596
24 HA CYS 4 HA CYS 4 -2.264 7.003 1.158
25 HB2 CYS 4 2HB CYS 4 -2.878 7.775 4.039
26 HB3 CYS 4 1HB CYS 4 -3.674 8.362 2.596
27 H ASN 5 HN ASN 5 -0.042 7.182 3.753
28 HA ASN 5 HA ASN 5 0.646 9.924 3.434
29 HB2 ASN 5 2HB ASN 5 0.731 8.958 5.647
30 HB3 ASN 5 1HB ASN 5 1.890 7.753 5.107
31 HD21 ASN 5 1HD2 ASN 5 1.412 11.105 5.886
32 HD22 ASN 5 2HD2 ASN 5 3.075 11.496 6.079
33 H GLY 6 HN GLY 6 2.356 6.835 2.820
34 HA2 GLY 6 2HA GLY 6 3.582 7.092 0.576
35 HA3 GLY 6 1HA GLY 6 4.465 8.324 1.469
36 H ARG 7 HN ARG 7 3.481 4.939 1.709
37 HA ARG 7 HA ARG 7 5.646 4.292 3.517
38 HB2 ARG 7 2HB ARG 7 3.295 3.163 3.371
39 HB3 ARG 7 1HB ARG 7 3.956 2.289 1.993
40 HG2 ARG 7 2HG ARG 7 5.827 1.611 3.681
41 HG3 ARG 7 1HG ARG 7 4.636 2.116 4.883
42 HD2 ARG 7 2HD ARG 7 4.408 -0.287 4.514
43 HD3 ARG 7 1HD ARG 7 3.012 0.546 3.853
44 HE ARG 7 HE ARG 7 3.927 0.322 1.694
45 HH11 ARG 7 1HH1 ARG 7 5.518 -1.704 4.191
46 HH12 ARG 7 2HH1 ARG 7 6.147 -2.794 3.056
47 HH21 ARG 7 1HH2 ARG 7 4.874 -1.167 0.203
48 HH22 ARG 7 2HH2 ARG 7 5.800 -2.496 0.779
49 H GLY 8 HN GLY 8 7.039 2.213 2.674
50 HA2 GLY 8 2HA GLY 8 8.390 2.984 0.317
51 HA3 GLY 8 1HA GLY 8 8.679 1.538 1.265
52 H GLY 9 HN GLY 9 6.400 2.898 -1.048
53 HA2 GLY 9 2HA GLY 9 6.006 1.944 -3.169
54 HA3 GLY 9 1HA GLY 9 6.555 0.398 -2.571
55 H CYS 10 HN CYS 10 4.118 1.642 -3.893
56 HA CYS 10 HA CYS 10 1.968 0.748 -2.143
57 HB2 CYS 10 2HB CYS 10 1.868 2.047 -4.871
58 HB3 CYS 10 1HB CYS 10 0.463 1.625 -3.907
59 H SER 11 HN SER 11 3.789 -0.282 -4.837
60 HA SER 11 HA SER 11 1.874 -2.249 -5.724
61 HB2 SER 11 2HB SER 11 3.486 -1.116 -7.306
62 HB3 SER 11 1HB SER 11 4.797 -1.976 -6.508
63 HG SER 11 HG SER 11 3.386 -3.937 -7.100
64 H SER 12 HN SER 12 4.400 -1.965 -3.476
65 HA SER 12 HA SER 12 4.986 -4.701 -3.144
66 HB2 SER 12 2HB SER 12 6.367 -2.761 -2.285
67 HB3 SER 12 1HB SER 12 5.091 -2.525 -1.082
68 HG SER 12 HG SER 12 6.759 -4.771 -1.397
69 H ARG 13 HN ARG 13 4.324 -5.909 -1.258
70 HA ARG 13 HA ARG 13 1.586 -6.362 -1.612
71 HB2 ARG 13 2HB ARG 13 3.409 -7.689 0.364
72 HB3 ARG 13 1HB ARG 13 1.774 -8.208 -0.003
73 HG2 ARG 13 2HG ARG 13 2.414 -8.543 -2.349
74 HG3 ARG 13 1HG ARG 13 4.072 -8.095 -1.953
75 HD2 ARG 13 2HD ARG 13 2.512 -10.415 -0.842
76 HD3 ARG 13 1HD ARG 13 3.810 -10.508 -2.030
77 HE ARG 13 HE ARG 13 5.001 -9.295 0.039
78 HH11 ARG 13 1HH1 ARG 13 3.113 -12.293 -0.221
79 HH12 ARG 13 2HH1 ARG 13 3.870 -13.044 1.105
80 HH21 ARG 13 1HH2 ARG 13 6.022 -10.367 1.897
81 HH22 ARG 13 2HH2 ARG 13 5.503 -11.936 2.329
82 H TRP 14 HN TRP 14 3.076 -4.589 0.987
83 HA TRP 14 HA TRP 14 0.886 -4.905 2.806
84 HB2 TRP 14 2HB TRP 14 3.346 -3.852 3.171
85 HB3 TRP 14 1HB TRP 14 2.474 -2.361 2.846
86 HD1 TRP 14 1HD TRP 14 3.378 -4.622 5.531
87 HE1 TRP 14 1HE TRP 14 2.033 -4.186 7.703
88 HE3 TRP 14 3HE TRP 14 -0.168 -1.466 3.673
89 HZ2 TRP 14 2HZ TRP 14 -0.188 -2.680 8.501
90 HZ3 TRP 14 3HZ TRP 14 -1.857 -0.568 5.198
91 HH2 TRP 14 2HH TRP 14 -1.864 -1.161 7.567
92 H CYS 15 HN CYS 15 1.722 -2.114 0.822
93 HA CYS 15 HA CYS 15 -0.811 -0.941 1.190
94 HB2 CYS 15 2HB CYS 15 1.409 -0.480 -0.685
95 HB3 CYS 15 1HB CYS 15 -0.020 0.559 -0.532
96 H ARG 16 HN ARG 16 0.366 -3.323 -0.850
97 HA ARG 16 HA ARG 16 -1.620 -2.936 -2.879
98 HB2 ARG 16 2HB ARG 16 0.418 -4.138 -3.450
99 HB3 ARG 16 1HB ARG 16 0.050 -5.350 -2.232
100 HG2 ARG 16 2HG ARG 16 -0.416 -6.111 -4.533
101 HG3 ARG 16 1HG ARG 16 -1.832 -6.135 -3.486
102 HD2 ARG 16 2HD ARG 16 -2.337 -5.287 -5.721
103 HD3 ARG 16 1HD ARG 16 -2.637 -4.082 -4.477
104 HE ARG 16 HE ARG 16 -0.442 -3.130 -5.125
105 HH11 ARG 16 1HH1 ARG 16 -2.299 -5.054 -7.453
106 HH12 ARG 16 2HH1 ARG 16 -1.705 -4.222 -8.814
107 HH21 ARG 16 1HH2 ARG 16 0.351 -1.959 -7.067
108 HH22 ARG 16 2HH2 ARG 16 -0.172 -2.485 -8.591
109 H ASP 17 HN ASP 17 -1.350 -5.034 -0.053
110 HA ASP 17 HA ASP 17 -3.954 -6.186 -0.613
111 HB2 ASP 17 2HB ASP 17 -1.940 -7.421 0.484
112 HB3 ASP 17 1HB ASP 17 -2.367 -6.500 1.890
113 H HIS 18 HN HIS 18 -2.434 -4.264 1.912
114 HA HIS 18 HA HIS 18 -4.988 -3.915 3.287
115 HB2 HIS 18 2HB HIS 18 -2.324 -2.909 4.263
116 HB3 HIS 18 1HB HIS 18 -3.718 -3.408 5.199
117 HD1 HIS 18 1HD HIS 18 -4.093 -6.233 4.952
118 HD2 HIS 18 2HD HIS 18 -0.338 -4.632 4.352
119 HE1 HIS 18 1HE HIS 18 -2.485 -8.156 5.195
120 H ALA 19 HN ALA 19 -4.345 -2.600 0.787
121 HA ALA 19 HA ALA 19 -3.397 0.008 0.971
122 HB1 ALA 19 1HB ALA 19 -5.506 -1.068 -0.890
123 HB2 ALA 19 2HB ALA 19 -3.758 -1.146 -1.136
124 HB3 ALA 19 3HB ALA 19 -4.576 0.418 -1.103
125 H ARG 20 HN ARG 20 -4.231 1.512 2.320
126 HA ARG 20 HA ARG 20 -7.094 1.667 2.652
127 HB2 ARG 20 2HB ARG 20 -5.643 2.088 4.606
128 HB3 ARG 20 1HB ARG 20 -4.904 3.439 3.768
129 HG2 ARG 20 2HG ARG 20 -6.565 4.129 5.472
130 HG3 ARG 20 1HG ARG 20 -6.956 4.694 3.850
131 HD2 ARG 20 2HD ARG 20 -8.929 3.843 5.074
132 HD3 ARG 20 1HD ARG 20 -8.612 2.949 3.591
133 HE ARG 20 HE ARG 20 -7.412 1.786 5.899
134 HH11 ARG 20 1HH1 ARG 20 -10.440 1.964 4.049
135 HH12 ARG 20 2HH1 ARG 20 -11.051 0.479 4.598
136 HH21 ARG 20 1HH2 ARG 20 -8.261 -0.307 6.641
137 HH22 ARG 20 2HH2 ARG 20 -9.767 -0.859 6.087
138 H CYS 21 HN CYS 21 -4.509 3.300 0.967
139 HA CYS 21 HA CYS 21 -6.541 4.756 -0.549
140 HB2 CYS 21 2HB CYS 21 -3.958 6.009 0.407
141 HB3 CYS 21 1HB CYS 21 -5.209 6.795 -0.544
142 H CYS 22 HN CYS 22 -2.933 4.566 -0.555
143 HA CYS 22 HA CYS 22 -3.024 4.190 -3.408
144 HB2 CYS 22 2HB CYS 22 -1.415 5.780 -2.332
145 HB3 CYS 22 1HB CYS 22 -0.655 4.417 -1.525
146 HN1 NH2 23 1H CYS 22 -3.691 2.154 -3.802
147 HN2 NH2 23 2H CYS 22 -2.918 0.728 -3.215
Start of MODEL 11
1 H1 ARG 1 1HT ARG 1 0.445 3.849 9.074
2 H2 ARG 1 2HT ARG 1 1.980 3.362 8.617
3 H3 ARG 1 3HT ARG 1 1.046 2.352 9.579
4 HA ARG 1 HA ARG 1 1.191 1.685 7.261
5 HB2 ARG 1 2HB ARG 1 -1.302 1.484 6.857
6 HB3 ARG 1 1HB ARG 1 -0.692 0.806 8.346
7 HG2 ARG 1 2HG ARG 1 -1.470 2.898 9.501
8 HG3 ARG 1 1HG ARG 1 -2.242 3.360 7.980
9 HD2 ARG 1 2HD ARG 1 -3.816 2.235 9.483
10 HD3 ARG 1 1HD ARG 1 -3.549 1.307 8.003
11 HE ARG 1 HE ARG 1 -1.835 0.586 10.186
12 HH11 ARG 1 1HH1 ARG 1 -4.954 -0.031 8.695
13 HH12 ARG 1 2HH1 ARG 1 -5.148 -1.599 9.305
14 HH21 ARG 1 1HH2 ARG 1 -2.003 -1.606 11.008
15 HH22 ARG 1 2HH2 ARG 1 -3.364 -2.546 10.660
16 H GLY 2 HN GLY 2 2.239 2.916 5.832
17 HA2 GLY 2 2HA GLY 2 1.117 5.431 5.024
18 HA3 GLY 2 1HA GLY 2 2.658 4.748 4.584
19 H CYS 3 HN CYS 3 -0.605 3.731 4.194
20 HA CYS 3 HA CYS 3 0.009 3.179 1.376
21 HB2 CYS 3 2HB CYS 3 -2.396 2.375 2.990
22 HB3 CYS 3 1HB CYS 3 -2.149 1.980 1.292
23 H CYS 4 HN CYS 4 -0.760 5.665 2.902
24 HA CYS 4 HA CYS 4 -2.148 6.801 0.592
25 HB2 CYS 4 2HB CYS 4 -2.311 7.895 3.428
26 HB3 CYS 4 1HB CYS 4 -3.198 8.466 2.023
27 H ASN 5 HN ASN 5 0.142 7.199 3.184
28 HA ASN 5 HA ASN 5 2.202 8.100 1.489
29 HB2 ASN 5 2HB ASN 5 0.962 10.187 1.772
30 HB3 ASN 5 1HB ASN 5 1.040 10.023 3.510
31 HD21 ASN 5 1HD2 ASN 5 2.980 10.697 0.653
32 HD22 ASN 5 2HD2 ASN 5 4.314 11.366 1.501
33 H GLY 6 HN GLY 6 3.800 6.918 2.364
34 HA2 GLY 6 2HA GLY 6 5.198 7.177 4.554
35 HA3 GLY 6 1HA GLY 6 3.770 6.466 5.280
36 H ARG 7 HN ARG 7 4.575 5.235 2.150
37 HA ARG 7 HA ARG 7 6.053 3.078 3.381
38 HB2 ARG 7 2HB ARG 7 3.801 2.991 1.429
39 HB3 ARG 7 1HB ARG 7 5.041 1.753 1.357
40 HG2 ARG 7 2HG ARG 7 3.220 2.365 3.702
41 HG3 ARG 7 1HG ARG 7 3.014 1.033 2.569
42 HD2 ARG 7 2HD ARG 7 4.028 0.110 4.535
43 HD3 ARG 7 1HD ARG 7 5.283 0.204 3.313
44 HE ARG 7 HE ARG 7 5.172 2.553 4.872
45 HH11 ARG 7 1HH1 ARG 7 6.505 -0.715 4.814
46 HH12 ARG 7 2HH1 ARG 7 7.670 -0.411 6.017
47 HH21 ARG 7 1HH2 ARG 7 6.755 2.969 6.527
48 HH22 ARG 7 2HH2 ARG 7 7.829 1.735 7.000
49 H GLY 8 HN GLY 8 7.099 1.801 1.363
50 HA2 GLY 8 2HA GLY 8 8.798 3.675 0.028
51 HA3 GLY 8 1HA GLY 8 8.799 1.924 -0.176
52 H GLY 9 HN GLY 9 5.962 1.800 -0.792
53 HA2 GLY 9 2HA GLY 9 5.263 3.482 -2.906
54 HA3 GLY 9 1HA GLY 9 6.021 2.028 -3.551
55 H CYS 10 HN CYS 10 3.489 2.362 -4.262
56 HA CYS 10 HA CYS 10 1.696 1.160 -2.345
57 HB2 CYS 10 2HB CYS 10 1.203 1.849 -5.241
58 HB3 CYS 10 1HB CYS 10 -0.016 1.493 -4.023
59 H SER 11 HN SER 11 3.876 0.030 -4.656
60 HA SER 11 HA SER 11 2.336 -2.308 -5.379
61 HB2 SER 11 2HB SER 11 3.947 -1.100 -6.962
62 HB3 SER 11 1HB SER 11 5.258 -1.790 -6.010
63 HG SER 11 HG SER 11 3.330 -3.050 -7.602
64 H SER 12 HN SER 12 3.936 -1.397 -2.716
65 HA SER 12 HA SER 12 5.396 -3.731 -1.990
66 HB2 SER 12 2HB SER 12 5.508 -1.331 -0.978
67 HB3 SER 12 1HB SER 12 4.027 -1.842 -0.145
68 HG SER 12 HG SER 12 6.322 -3.424 0.020
69 H ARG 13 HN ARG 13 4.624 -5.249 -0.424
70 HA ARG 13 HA ARG 13 2.065 -6.243 -1.219
71 HB2 ARG 13 2HB ARG 13 2.396 -8.163 0.222
72 HB3 ARG 13 1HB ARG 13 3.862 -7.822 -0.671
73 HG2 ARG 13 2HG ARG 13 4.939 -6.976 1.266
74 HG3 ARG 13 1HG ARG 13 3.424 -6.950 2.173
75 HD2 ARG 13 2HD ARG 13 4.786 -9.419 1.105
76 HD3 ARG 13 1HD ARG 13 4.854 -8.860 2.777
77 HE ARG 13 HE ARG 13 2.263 -9.021 2.477
78 HH11 ARG 13 1HH1 ARG 13 4.711 -11.364 1.418
79 HH12 ARG 13 2HH1 ARG 13 3.690 -12.715 1.594
80 HH21 ARG 13 1HH2 ARG 13 0.882 -10.897 2.747
81 HH22 ARG 13 2HH2 ARG 13 1.469 -12.441 2.382
82 H TRP 14 HN TRP 14 3.055 -4.336 1.403
83 HA TRP 14 HA TRP 14 0.880 -4.840 3.167
84 HB2 TRP 14 2HB TRP 14 3.208 -3.451 3.406
85 HB3 TRP 14 1HB TRP 14 2.116 -2.121 3.052
86 HD1 TRP 14 1HD TRP 14 3.340 -4.239 5.773
87 HE1 TRP 14 1HE TRP 14 2.040 -3.820 7.969
88 HE3 TRP 14 3HE TRP 14 -0.449 -1.413 3.916
89 HZ2 TRP 14 2HZ TRP 14 -0.280 -2.456 8.776
90 HZ3 TRP 14 3HZ TRP 14 -2.163 -0.584 5.457
91 HH2 TRP 14 2HH TRP 14 -2.077 -1.093 7.830
92 H CYS 15 HN CYS 15 1.445 -2.156 0.962
93 HA CYS 15 HA CYS 15 -1.201 -1.223 1.168
94 HB2 CYS 15 2HB CYS 15 1.092 -0.627 -0.612
95 HB3 CYS 15 1HB CYS 15 -0.415 0.288 -0.620
96 H ARG 16 HN ARG 16 0.353 -3.520 -0.752
97 HA ARG 16 HA ARG 16 -1.373 -3.641 -2.978
98 HB2 ARG 16 2HB ARG 16 0.789 -4.846 -2.740
99 HB3 ARG 16 1HB ARG 16 0.032 -5.886 -1.549
100 HG2 ARG 16 2HG ARG 16 -1.510 -6.704 -3.284
101 HG3 ARG 16 1HG ARG 16 -0.664 -5.703 -4.471
102 HD2 ARG 16 2HD ARG 16 0.494 -7.965 -2.841
103 HD3 ARG 16 1HD ARG 16 0.224 -7.936 -4.587
104 HE ARG 16 HE ARG 16 1.824 -5.845 -4.268
105 HH11 ARG 16 1HH1 ARG 16 2.162 -9.207 -3.167
106 HH12 ARG 16 2HH1 ARG 16 3.861 -9.161 -3.105
107 HH21 ARG 16 1HH2 ARG 16 4.167 -5.788 -4.119
108 HH22 ARG 16 2HH2 ARG 16 5.019 -7.189 -3.642
109 H ASP 17 HN ASP 17 -1.517 -4.958 0.279
110 HA ASP 17 HA ASP 17 -4.031 -6.353 -0.340
111 HB2 ASP 17 2HB ASP 17 -1.994 -7.420 0.936
112 HB3 ASP 17 1HB ASP 17 -2.583 -6.462 2.246
113 H HIS 18 HN HIS 18 -2.626 -4.182 2.073
114 HA HIS 18 HA HIS 18 -5.219 -3.859 3.380
115 HB2 HIS 18 2HB HIS 18 -2.577 -2.776 4.344
116 HB3 HIS 18 1HB HIS 18 -4.004 -3.157 5.283
117 HD1 HIS 18 1HD HIS 18 -4.330 -6.198 4.449
118 HD2 HIS 18 2HD HIS 18 -0.722 -4.371 5.390
119 HE1 HIS 18 1HE HIS 18 -2.796 -8.041 5.210
120 H ALA 19 HN ALA 19 -4.563 -2.582 0.852
121 HA ALA 19 HA ALA 19 -3.728 0.060 0.940
122 HB1 ALA 19 1HB ALA 19 -4.875 0.385 -1.137
123 HB2 ALA 19 2HB ALA 19 -5.820 -1.088 -0.881
124 HB3 ALA 19 3HB ALA 19 -4.070 -1.183 -1.114
125 H ARG 20 HN ARG 20 -4.532 1.839 1.686
126 HA ARG 20 HA ARG 20 -7.396 1.982 2.348
127 HB2 ARG 20 2HB ARG 20 -5.115 3.657 3.413
128 HB3 ARG 20 1HB ARG 20 -6.803 3.893 3.821
129 HG2 ARG 20 2HG ARG 20 -5.195 1.417 4.446
130 HG3 ARG 20 1HG ARG 20 -5.522 2.720 5.580
131 HD2 ARG 20 2HD ARG 20 -7.081 0.982 6.077
132 HD3 ARG 20 1HD ARG 20 -7.985 2.235 5.235
133 HE ARG 20 HE ARG 20 -7.213 0.470 3.297
134 HH11 ARG 20 1HH1 ARG 20 -9.076 0.183 6.290
135 HH12 ARG 20 2HH1 ARG 20 -10.041 -1.097 5.754
136 HH21 ARG 20 1HH2 ARG 20 -8.492 -1.310 2.540
137 HH22 ARG 20 2HH2 ARG 20 -9.680 -2.006 3.541
138 H CYS 21 HN CYS 21 -4.752 3.832 0.835
139 HA CYS 21 HA CYS 21 -6.835 5.302 -0.620
140 HB2 CYS 21 2HB CYS 21 -4.053 6.286 0.045
141 HB3 CYS 21 1HB CYS 21 -5.344 7.209 -0.715
142 H CYS 22 HN CYS 22 -3.385 4.332 -0.811
143 HA CYS 22 HA CYS 22 -3.784 3.809 -3.657
144 HB2 CYS 22 2HB CYS 22 -2.247 5.695 -3.147
145 HB3 CYS 22 1HB CYS 22 -1.258 4.609 -2.182
146 HN1 NH2 23 1H CYS 22 -4.085 1.684 -3.786
147 HN2 NH2 23 2H CYS 22 -3.184 0.471 -2.947
Start of MODEL 12
1 H1 ARG 1 1HT ARG 1 -0.992 4.467 7.951
2 H2 ARG 1 2HT ARG 1 -1.147 3.004 8.761
3 H3 ARG 1 3HT ARG 1 -1.651 3.151 7.148
4 HA ARG 1 HA ARG 1 1.127 3.469 8.098
5 HB2 ARG 1 2HB ARG 1 -0.148 1.291 6.405
6 HB3 ARG 1 1HB ARG 1 1.565 1.405 6.755
7 HG2 ARG 1 2HG ARG 1 -0.615 0.957 8.792
8 HG3 ARG 1 1HG ARG 1 0.433 -0.286 8.125
9 HD2 ARG 1 2HD ARG 1 1.400 2.104 9.705
10 HD3 ARG 1 1HD ARG 1 1.085 0.515 10.388
11 HE ARG 1 HE ARG 1 2.953 0.571 8.193
12 HH11 ARG 1 1HH1 ARG 1 2.575 0.736 11.725
13 HH12 ARG 1 2HH1 ARG 1 4.149 0.185 12.052
14 HH21 ARG 1 1HH2 ARG 1 5.152 -0.125 8.683
15 HH22 ARG 1 2HH2 ARG 1 5.619 -0.313 10.312
16 H GLY 2 HN GLY 2 2.372 2.934 5.714
17 HA2 GLY 2 2HA GLY 2 1.905 5.422 4.352
18 HA3 GLY 2 1HA GLY 2 3.148 4.240 4.014
19 H CYS 3 HN CYS 3 -0.231 3.602 4.031
20 HA CYS 3 HA CYS 3 -0.076 2.774 1.217
21 HB2 CYS 3 2HB CYS 3 -2.422 2.434 3.079
22 HB3 CYS 3 1HB CYS 3 -2.052 1.543 1.613
23 H CYS 4 HN CYS 4 -0.413 5.399 2.665
24 HA CYS 4 HA CYS 4 -2.329 6.605 0.786
25 HB2 CYS 4 2HB CYS 4 -1.645 7.714 3.515
26 HB3 CYS 4 1HB CYS 4 -2.964 8.211 2.464
27 H ASN 5 HN ASN 5 0.486 7.001 2.830
28 HA ASN 5 HA ASN 5 2.109 8.011 0.750
29 HB2 ASN 5 2HB ASN 5 0.887 10.047 1.480
30 HB3 ASN 5 1HB ASN 5 1.446 9.781 3.119
31 HD21 ASN 5 1HD2 ASN 5 2.575 11.700 3.218
32 HD22 ASN 5 2HD2 ASN 5 4.044 11.976 2.352
33 H GLY 6 HN GLY 6 3.862 6.832 1.180
34 HA2 GLY 6 2HA GLY 6 5.736 6.894 2.927
35 HA3 GLY 6 1HA GLY 6 4.491 6.223 3.976
36 H ARG 7 HN ARG 7 5.699 4.334 4.281
37 HA ARG 7 HA ARG 7 6.361 2.154 3.881
38 HB2 ARG 7 2HB ARG 7 3.824 2.244 3.368
39 HB3 ARG 7 1HB ARG 7 4.295 2.347 1.688
40 HG2 ARG 7 2HG ARG 7 3.501 0.134 2.284
41 HG3 ARG 7 1HG ARG 7 5.181 0.046 1.807
42 HD2 ARG 7 2HD ARG 7 4.279 0.211 4.675
43 HD3 ARG 7 1HD ARG 7 4.487 -1.317 3.838
44 HE ARG 7 HE ARG 7 6.785 0.341 3.645
45 HH11 ARG 7 1HH1 ARG 7 5.067 -1.787 5.891
46 HH12 ARG 7 2HH1 ARG 7 6.472 -2.368 6.653
47 HH21 ARG 7 1HH2 ARG 7 8.729 -0.455 4.702
48 HH22 ARG 7 2HH2 ARG 7 8.589 -1.582 5.978
49 H GLY 8 HN GLY 8 6.436 0.859 1.177
50 HA2 GLY 8 2HA GLY 8 8.506 2.512 -0.040
51 HA3 GLY 8 1HA GLY 8 8.296 0.770 -0.272
52 H GLY 9 HN GLY 9 5.789 3.191 -0.184
53 HA2 GLY 9 2HA GLY 9 4.515 4.077 -1.881
54 HA3 GLY 9 1HA GLY 9 5.350 3.033 -3.033
55 H CYS 10 HN CYS 10 3.055 2.760 -3.705
56 HA CYS 10 HA CYS 10 1.419 1.051 -2.067
57 HB2 CYS 10 2HB CYS 10 1.115 1.864 -4.966
58 HB3 CYS 10 1HB CYS 10 -0.102 1.034 -4.006
59 H SER 11 HN SER 11 4.074 0.579 -4.017
60 HA SER 11 HA SER 11 3.458 -1.878 -5.266
61 HB2 SER 11 2HB SER 11 5.330 -0.418 -5.995
62 HB3 SER 11 1HB SER 11 6.176 -0.777 -4.493
63 HG SER 11 HG SER 11 6.629 -2.006 -6.541
64 H SER 12 HN SER 12 4.735 -1.068 -2.022
65 HA SER 12 HA SER 12 5.739 -3.462 -1.198
66 HB2 SER 12 2HB SER 12 4.153 -1.450 0.373
67 HB3 SER 12 1HB SER 12 5.414 -2.538 0.953
68 HG SER 12 HG SER 12 6.844 -1.461 -0.498
69 H ARG 13 HN ARG 13 4.807 -5.347 -0.619
70 HA ARG 13 HA ARG 13 2.293 -6.166 -1.326
71 HB2 ARG 13 2HB ARG 13 2.674 -8.171 0.027
72 HB3 ARG 13 1HB ARG 13 4.118 -7.715 -0.863
73 HG2 ARG 13 2HG ARG 13 4.995 -6.665 1.199
74 HG3 ARG 13 1HG ARG 13 3.584 -7.266 2.067
75 HD2 ARG 13 2HD ARG 13 5.449 -8.756 2.425
76 HD3 ARG 13 1HD ARG 13 4.234 -9.558 1.437
77 HE ARG 13 HE ARG 13 5.605 -9.200 -0.481
78 HH11 ARG 13 1HH1 ARG 13 7.279 -8.637 2.623
79 HH12 ARG 13 2HH1 ARG 13 8.829 -8.850 1.958
80 HH21 ARG 13 1HH2 ARG 13 7.739 -9.436 -1.351
81 HH22 ARG 13 2HH2 ARG 13 9.105 -9.279 -0.352
82 H TRP 14 HN TRP 14 3.198 -4.673 1.706
83 HA TRP 14 HA TRP 14 0.894 -5.271 3.251
84 HB2 TRP 14 2HB TRP 14 3.191 -4.094 3.874
85 HB3 TRP 14 1HB TRP 14 2.319 -2.631 3.445
86 HD1 TRP 14 1HD TRP 14 3.014 -4.886 6.214
87 HE1 TRP 14 1HE TRP 14 1.528 -4.368 8.269
88 HE3 TRP 14 3HE TRP 14 -0.366 -1.771 4.024
89 HZ2 TRP 14 2HZ TRP 14 -0.766 -2.871 8.854
90 HZ3 TRP 14 3HZ TRP 14 -2.167 -0.838 5.403
91 HH2 TRP 14 2HH TRP 14 -2.356 -1.373 7.759
92 H CYS 15 HN CYS 15 1.676 -2.292 1.561
93 HA CYS 15 HA CYS 15 -0.957 -1.335 1.755
94 HB2 CYS 15 2HB CYS 15 1.482 -0.443 0.335
95 HB3 CYS 15 1HB CYS 15 -0.035 0.457 0.361
96 H ARG 16 HN ARG 16 0.750 -3.194 -0.567
97 HA ARG 16 HA ARG 16 -0.913 -2.681 -2.787
98 HB2 ARG 16 2HB ARG 16 1.243 -3.958 -2.896
99 HB3 ARG 16 1HB ARG 16 0.446 -5.290 -2.071
100 HG2 ARG 16 2HG ARG 16 -1.140 -5.464 -3.957
101 HG3 ARG 16 1HG ARG 16 -0.236 -4.208 -4.798
102 HD2 ARG 16 2HD ARG 16 0.811 -6.904 -3.938
103 HD3 ARG 16 1HD ARG 16 0.412 -6.411 -5.581
104 HE ARG 16 HE ARG 16 2.382 -4.730 -4.352
105 HH11 ARG 16 1HH1 ARG 16 1.940 -7.737 -6.170
106 HH12 ARG 16 2HH1 ARG 16 3.549 -7.828 -6.682
107 HH21 ARG 16 1HH2 ARG 16 4.557 -4.834 -5.071
108 HH22 ARG 16 2HH2 ARG 16 5.071 -6.114 -6.076
109 H ASP 17 HN ASP 17 -1.203 -4.769 0.004
110 HA ASP 17 HA ASP 17 -3.644 -6.031 -0.985
111 HB2 ASP 17 2HB ASP 17 -1.787 -7.202 0.373
112 HB3 ASP 17 1HB ASP 17 -2.377 -6.281 1.732
113 H HIS 18 HN HIS 18 -2.561 -4.054 1.739
114 HA HIS 18 HA HIS 18 -5.277 -3.721 2.752
115 HB2 HIS 18 2HB HIS 18 -2.648 -2.852 3.962
116 HB3 HIS 18 1HB HIS 18 -4.181 -2.956 4.791
117 HD1 HIS 18 1HD HIS 18 -4.581 -6.069 3.490
118 HD2 HIS 18 2HD HIS 18 -1.476 -4.528 5.784
119 HE1 HIS 18 1HE HIS 18 -3.559 -8.022 4.654
120 H ALA 19 HN ALA 19 -4.400 -2.372 0.385
121 HA ALA 19 HA ALA 19 -3.686 0.319 0.785
122 HB1 ALA 19 1HB ALA 19 -4.453 0.747 -1.459
123 HB2 ALA 19 2HB ALA 19 -5.316 -0.796 -1.487
124 HB3 ALA 19 3HB ALA 19 -3.550 -0.765 -1.389
125 H ARG 20 HN ARG 20 -4.881 1.143 2.450
126 HA ARG 20 HA ARG 20 -7.717 1.340 2.377
127 HB2 ARG 20 2HB ARG 20 -5.673 2.739 4.094
128 HB3 ARG 20 1HB ARG 20 -7.411 2.873 4.326
129 HG2 ARG 20 2HG ARG 20 -7.559 0.481 4.755
130 HG3 ARG 20 1HG ARG 20 -5.831 0.310 4.452
131 HD2 ARG 20 2HD ARG 20 -6.346 0.354 6.840
132 HD3 ARG 20 1HD ARG 20 -5.337 1.721 6.364
133 HE ARG 20 HE ARG 20 -8.023 2.475 6.252
134 HH11 ARG 20 1HH1 ARG 20 -5.667 1.549 8.723
135 HH12 ARG 20 2HH1 ARG 20 -6.253 2.622 9.908
136 HH21 ARG 20 1HH2 ARG 20 -8.875 3.910 7.884
137 HH22 ARG 20 2HH2 ARG 20 -8.129 3.994 9.419
138 H CYS 21 HN CYS 21 -5.106 3.607 1.617
139 HA CYS 21 HA CYS 21 -7.138 5.519 0.715
140 HB2 CYS 21 2HB CYS 21 -4.164 5.892 0.999
141 HB3 CYS 21 1HB CYS 21 -5.327 7.155 0.605
142 H CYS 22 HN CYS 22 -4.083 4.104 -0.405
143 HA CYS 22 HA CYS 22 -4.082 5.025 -3.014
144 HB2 CYS 22 2HB CYS 22 -2.180 4.012 -1.741
145 HB3 CYS 22 1HB CYS 22 -2.919 2.440 -1.981
146 HN1 NH2 23 1H CYS 22 -5.962 4.762 -4.149
147 HN2 NH2 23 2H CYS 22 -6.614 3.224 -4.605
Start of MODEL 13
1 H1 ARG 1 1HT ARG 1 0.825 3.512 9.081
2 H2 ARG 1 2HT ARG 1 2.119 2.559 8.545
3 H3 ARG 1 3HT ARG 1 0.810 1.841 9.321
4 HA ARG 1 HA ARG 1 0.868 1.556 6.918
5 HB2 ARG 1 2HB ARG 1 -1.509 2.136 6.537
6 HB3 ARG 1 1HB ARG 1 -1.230 1.269 8.027
7 HG2 ARG 1 2HG ARG 1 -1.410 3.427 9.253
8 HG3 ARG 1 1HG ARG 1 -1.815 4.206 7.723
9 HD2 ARG 1 2HD ARG 1 -3.816 3.575 9.051
10 HD3 ARG 1 1HD ARG 1 -3.755 2.806 7.461
11 HE ARG 1 HE ARG 1 -2.593 1.262 9.593
12 HH11 ARG 1 1HH1 ARG 1 -5.650 1.925 7.931
13 HH12 ARG 1 2HH1 ARG 1 -6.269 0.354 8.234
14 HH21 ARG 1 1HH2 ARG 1 -3.468 -0.831 9.977
15 HH22 ARG 1 2HH2 ARG 1 -5.022 -1.232 9.399
16 H GLY 2 HN GLY 2 1.539 2.401 5.089
17 HA2 GLY 2 2HA GLY 2 1.384 5.308 4.877
18 HA3 GLY 2 1HA GLY 2 2.776 4.369 4.403
19 H CYS 3 HN CYS 3 -0.533 3.590 3.841
20 HA CYS 3 HA CYS 3 0.100 3.287 1.018
21 HB2 CYS 3 2HB CYS 3 -2.460 2.558 2.447
22 HB3 CYS 3 1HB CYS 3 -1.974 2.096 0.822
23 H CYS 4 HN CYS 4 -0.766 5.724 2.801
24 HA CYS 4 HA CYS 4 -2.113 7.004 0.540
25 HB2 CYS 4 2HB CYS 4 -1.920 8.064 3.383
26 HB3 CYS 4 1HB CYS 4 -2.926 8.700 2.091
27 H ASN 5 HN ASN 5 0.372 7.247 2.971
28 HA ASN 5 HA ASN 5 2.463 7.798 1.219
29 HB2 ASN 5 2HB ASN 5 1.204 10.053 1.329
30 HB3 ASN 5 1HB ASN 5 1.746 10.150 2.988
31 HD21 ASN 5 1HD2 ASN 5 4.466 9.029 2.459
32 HD22 ASN 5 2HD2 ASN 5 5.290 10.264 1.614
33 H GLY 6 HN GLY 6 4.027 6.729 2.316
34 HA2 GLY 6 2HA GLY 6 5.224 7.213 4.637
35 HA3 GLY 6 1HA GLY 6 3.767 6.419 5.212
36 H ARG 7 HN ARG 7 3.910 4.772 2.586
37 HA ARG 7 HA ARG 7 5.805 2.841 3.631
38 HB2 ARG 7 2HB ARG 7 3.336 2.612 2.038
39 HB3 ARG 7 1HB ARG 7 4.595 1.399 1.752
40 HG2 ARG 7 2HG ARG 7 3.212 2.011 4.364
41 HG3 ARG 7 1HG ARG 7 2.826 0.663 3.296
42 HD2 ARG 7 2HD ARG 7 4.214 -0.152 5.078
43 HD3 ARG 7 1HD ARG 7 5.166 -0.147 3.593
44 HE ARG 7 HE ARG 7 5.281 2.178 5.248
45 HH11 ARG 7 1HH1 ARG 7 6.917 -0.829 4.257
46 HH12 ARG 7 2HH1 ARG 7 8.430 -0.395 4.874
47 HH21 ARG 7 1HH2 ARG 7 7.414 2.753 6.123
48 HH22 ARG 7 2HH2 ARG 7 8.730 1.682 5.938
49 H GLY 8 HN GLY 8 6.921 1.510 1.897
50 HA2 GLY 8 2HA GLY 8 8.199 3.383 0.106
51 HA3 GLY 8 1HA GLY 8 8.717 1.737 0.463
52 H GLY 9 HN GLY 9 6.063 3.480 -1.044
53 HA2 GLY 9 2HA GLY 9 5.566 3.188 -3.371
54 HA3 GLY 9 1HA GLY 9 6.229 1.563 -3.256
55 H CYS 10 HN CYS 10 3.697 2.499 -4.260
56 HA CYS 10 HA CYS 10 1.671 1.682 -2.380
57 HB2 CYS 10 2HB CYS 10 1.166 3.480 -3.944
58 HB3 CYS 10 1HB CYS 10 1.540 2.439 -5.311
59 H SER 11 HN SER 11 3.648 0.232 -4.717
60 HA SER 11 HA SER 11 1.904 -2.021 -5.135
61 HB2 SER 11 2HB SER 11 3.397 -1.095 -6.945
62 HB3 SER 11 1HB SER 11 4.779 -1.699 -6.036
63 HG SER 11 HG SER 11 2.635 -3.225 -7.085
64 H SER 12 HN SER 12 3.893 -1.074 -2.684
65 HA SER 12 HA SER 12 5.335 -3.407 -2.046
66 HB2 SER 12 2HB SER 12 5.587 -1.014 -1.062
67 HB3 SER 12 1HB SER 12 4.211 -1.505 -0.054
68 HG SER 12 HG SER 12 6.562 -3.023 -0.218
69 H ARG 13 HN ARG 13 4.807 -4.908 -0.490
70 HA ARG 13 HA ARG 13 2.360 -6.158 -0.989
71 HB2 ARG 13 2HB ARG 13 2.916 -7.815 0.729
72 HB3 ARG 13 1HB ARG 13 4.259 -7.486 -0.354
73 HG2 ARG 13 2HG ARG 13 5.370 -6.205 1.303
74 HG3 ARG 13 1HG ARG 13 3.958 -6.246 2.363
75 HD2 ARG 13 2HD ARG 13 5.574 -8.626 1.493
76 HD3 ARG 13 1HD ARG 13 5.699 -7.844 3.067
77 HE ARG 13 HE ARG 13 3.361 -9.288 2.035
78 HH11 ARG 13 1HH1 ARG 13 5.205 -8.070 4.787
79 HH12 ARG 13 2HH1 ARG 13 4.281 -8.877 5.962
80 HH21 ARG 13 1HH2 ARG 13 2.090 -10.413 3.629
81 HH22 ARG 13 2HH2 ARG 13 2.445 -10.249 5.288
82 H TRP 14 HN TRP 14 3.159 -4.089 1.746
83 HA TRP 14 HA TRP 14 0.881 -4.756 3.307
84 HB2 TRP 14 2HB TRP 14 3.030 -3.331 3.914
85 HB3 TRP 14 1HB TRP 14 2.058 -1.983 3.326
86 HD1 TRP 14 1HD TRP 14 2.666 -4.157 6.277
87 HE1 TRP 14 1HE TRP 14 1.080 -3.556 8.201
88 HE3 TRP 14 3HE TRP 14 -0.541 -1.063 3.780
89 HZ2 TRP 14 2HZ TRP 14 -1.214 -2.006 8.619
90 HZ3 TRP 14 3HZ TRP 14 -2.410 -0.075 5.021
91 HH2 TRP 14 2HH TRP 14 -2.733 -0.535 7.398
92 H CYS 15 HN CYS 15 1.467 -2.182 0.998
93 HA CYS 15 HA CYS 15 -1.168 -1.198 1.145
94 HB2 CYS 15 2HB CYS 15 1.162 -0.689 -0.645
95 HB3 CYS 15 1HB CYS 15 -0.357 0.200 -0.712
96 H ARG 16 HN ARG 16 0.463 -3.543 -0.782
97 HA ARG 16 HA ARG 16 -1.380 -3.624 -2.923
98 HB2 ARG 16 2HB ARG 16 0.853 -4.643 -3.075
99 HB3 ARG 16 1HB ARG 16 0.427 -5.779 -1.806
100 HG2 ARG 16 2HG ARG 16 -1.220 -6.819 -3.259
101 HG3 ARG 16 1HG ARG 16 -0.859 -5.651 -4.529
102 HD2 ARG 16 2HD ARG 16 1.138 -7.582 -3.347
103 HD3 ARG 16 1HD ARG 16 0.264 -7.849 -4.852
104 HE ARG 16 HE ARG 16 1.602 -5.371 -4.926
105 HH11 ARG 16 1HH1 ARG 16 2.258 -8.847 -5.171
106 HH12 ARG 16 2HH1 ARG 16 3.680 -8.664 -6.078
107 HH21 ARG 16 1HH2 ARG 16 3.560 -5.108 -6.188
108 HH22 ARG 16 2HH2 ARG 16 4.448 -6.477 -6.649
109 H ASP 17 HN ASP 17 -1.337 -4.968 0.278
110 HA ASP 17 HA ASP 17 -3.749 -6.566 -0.282
111 HB2 ASP 17 2HB ASP 17 -1.652 -7.482 0.980
112 HB3 ASP 17 1HB ASP 17 -2.282 -6.554 2.318
113 H HIS 18 HN HIS 18 -2.515 -4.199 2.060
114 HA HIS 18 HA HIS 18 -5.169 -3.937 3.270
115 HB2 HIS 18 2HB HIS 18 -2.534 -2.844 4.284
116 HB3 HIS 18 1HB HIS 18 -4.019 -3.053 5.184
117 HD1 HIS 18 1HD HIS 18 -4.360 -6.179 4.320
118 HD2 HIS 18 2HD HIS 18 -0.964 -4.366 5.869
119 HE1 HIS 18 1HE HIS 18 -3.022 -8.018 5.379
120 H ALA 19 HN ALA 19 -4.517 -2.751 0.733
121 HA ALA 19 HA ALA 19 -3.709 -0.127 0.636
122 HB1 ALA 19 1HB ALA 19 -5.982 -1.314 -0.936
123 HB2 ALA 19 2HB ALA 19 -4.261 -1.441 -1.332
124 HB3 ALA 19 3HB ALA 19 -5.054 0.135 -1.340
125 H ARG 20 HN ARG 20 -4.386 1.679 1.414
126 HA ARG 20 HA ARG 20 -7.111 1.842 2.498
127 HB2 ARG 20 2HB ARG 20 -4.682 3.460 3.295
128 HB3 ARG 20 1HB ARG 20 -6.287 3.614 3.990
129 HG2 ARG 20 2HG ARG 20 -4.474 1.211 4.170
130 HG3 ARG 20 1HG ARG 20 -4.871 2.331 5.472
131 HD2 ARG 20 2HD ARG 20 -6.768 0.448 4.059
132 HD3 ARG 20 1HD ARG 20 -6.173 0.299 5.709
133 HE ARG 20 HE ARG 20 -7.323 2.663 5.833
134 HH11 ARG 20 1HH1 ARG 20 -8.553 -0.378 4.492
135 HH12 ARG 20 2HH1 ARG 20 -10.184 0.017 4.714
136 HH21 ARG 20 1HH2 ARG 20 -9.597 3.207 6.147
137 HH22 ARG 20 2HH2 ARG 20 -10.788 2.085 5.666
138 H CYS 21 HN CYS 21 -4.662 4.045 1.107
139 HA CYS 21 HA CYS 21 -6.870 5.486 -0.149
140 HB2 CYS 21 2HB CYS 21 -3.987 6.298 0.249
141 HB3 CYS 21 1HB CYS 21 -5.223 7.297 -0.510
142 H CYS 22 HN CYS 22 -3.511 4.494 -0.956
143 HA CYS 22 HA CYS 22 -4.335 4.235 -3.714
144 HB2 CYS 22 2HB CYS 22 -2.156 5.311 -3.162
145 HB3 CYS 22 1HB CYS 22 -1.614 3.806 -2.431
146 HN1 NH2 23 1H CYS 22 -5.444 2.438 -4.044
147 HN2 NH2 23 2H CYS 22 -5.042 0.874 -3.438
Start of MODEL 14
1 H1 ARG 1 1HT ARG 1 2.287 1.891 7.910
2 H2 ARG 1 2HT ARG 1 1.196 1.174 8.941
3 H3 ARG 1 3HT ARG 1 1.401 2.857 8.943
4 HA ARG 1 HA ARG 1 0.453 1.312 6.623
5 HB2 ARG 1 2HB ARG 1 -1.764 2.403 7.083
6 HB3 ARG 1 1HB ARG 1 -1.317 1.053 8.091
7 HG2 ARG 1 2HG ARG 1 -0.760 2.497 9.924
8 HG3 ARG 1 1HG ARG 1 -0.968 3.927 8.906
9 HD2 ARG 1 2HD ARG 1 -3.122 1.942 9.554
10 HD3 ARG 1 1HD ARG 1 -2.913 3.499 10.365
11 HE ARG 1 HE ARG 1 -2.953 3.981 7.669
12 HH11 ARG 1 1HH1 ARG 1 -5.243 2.586 10.001
13 HH12 ARG 1 2HH1 ARG 1 -6.620 3.295 9.319
14 HH21 ARG 1 1HH2 ARG 1 -4.856 4.978 6.729
15 HH22 ARG 1 2HH2 ARG 1 -6.391 4.701 7.391
16 H GLY 2 HN GLY 2 1.843 2.364 5.292
17 HA2 GLY 2 2HA GLY 2 1.219 5.198 4.879
18 HA3 GLY 2 1HA GLY 2 2.714 4.423 4.410
19 H CYS 3 HN CYS 3 -0.609 3.657 4.015
20 HA CYS 3 HA CYS 3 -0.085 2.804 1.259
21 HB2 CYS 3 2HB CYS 3 -2.565 2.341 2.899
22 HB3 CYS 3 1HB CYS 3 -2.092 1.539 1.408
23 H CYS 4 HN CYS 4 -0.799 5.489 2.568
24 HA CYS 4 HA CYS 4 -2.122 6.386 0.123
25 HB2 CYS 4 2HB CYS 4 -2.289 7.779 2.820
26 HB3 CYS 4 1HB CYS 4 -3.089 8.277 1.337
27 H ASN 5 HN ASN 5 0.192 6.905 2.671
28 HA ASN 5 HA ASN 5 2.265 7.623 0.941
29 HB2 ASN 5 2HB ASN 5 0.896 9.773 1.075
30 HB3 ASN 5 1HB ASN 5 1.312 9.816 2.781
31 HD21 ASN 5 1HD2 ASN 5 2.532 11.672 2.674
32 HD22 ASN 5 2HD2 ASN 5 4.059 11.741 1.864
33 H GLY 6 HN GLY 6 3.915 6.706 1.964
34 HA2 GLY 6 2HA GLY 6 5.059 7.290 4.291
35 HA3 GLY 6 1HA GLY 6 3.727 6.304 4.856
36 H ARG 7 HN ARG 7 3.807 4.392 2.664
37 HA ARG 7 HA ARG 7 6.004 2.807 3.660
38 HB2 ARG 7 2HB ARG 7 3.673 2.301 1.906
39 HB3 ARG 7 1HB ARG 7 5.043 1.196 1.788
40 HG2 ARG 7 2HG ARG 7 3.444 1.798 4.276
41 HG3 ARG 7 1HG ARG 7 3.193 0.404 3.229
42 HD2 ARG 7 2HD ARG 7 4.519 -0.356 5.063
43 HD3 ARG 7 1HD ARG 7 5.586 -0.230 3.686
44 HE ARG 7 HE ARG 7 5.466 2.138 5.216
45 HH11 ARG 7 1HH1 ARG 7 7.059 -1.015 4.984
46 HH12 ARG 7 2HH1 ARG 7 8.442 -0.562 5.848
47 HH21 ARG 7 1HH2 ARG 7 7.414 2.764 6.464
48 HH22 ARG 7 2HH2 ARG 7 8.651 1.617 6.685
49 H GLY 8 HN GLY 8 7.063 1.388 1.766
50 HA2 GLY 8 2HA GLY 8 8.548 3.324 0.218
51 HA3 GLY 8 1HA GLY 8 8.869 1.596 0.318
52 H GLY 9 HN GLY 9 6.420 3.826 -0.819
53 HA2 GLY 9 2HA GLY 9 5.552 3.962 -2.982
54 HA3 GLY 9 1HA GLY 9 6.219 2.371 -3.329
55 H CYS 10 HN CYS 10 3.582 3.141 -3.908
56 HA CYS 10 HA CYS 10 1.894 1.944 -1.884
57 HB2 CYS 10 2HB CYS 10 1.212 2.993 -4.624
58 HB3 CYS 10 1HB CYS 10 0.070 2.520 -3.372
59 H SER 11 HN SER 11 3.814 0.787 -4.287
60 HA SER 11 HA SER 11 2.038 -1.366 -5.088
61 HB2 SER 11 2HB SER 11 3.427 -0.281 -6.835
62 HB3 SER 11 1HB SER 11 4.886 -0.753 -5.969
63 HG SER 11 HG SER 11 4.054 -2.934 -6.189
64 H SER 12 HN SER 12 3.480 -0.874 -2.345
65 HA SER 12 HA SER 12 5.089 -3.152 -1.983
66 HB2 SER 12 2HB SER 12 4.696 -2.376 0.416
67 HB3 SER 12 1HB SER 12 5.532 -1.240 -0.655
68 HG SER 12 HG SER 12 3.944 0.099 -0.372
69 H ARG 13 HN ARG 13 4.394 -5.097 -1.035
70 HA ARG 13 HA ARG 13 1.771 -5.906 -1.592
71 HB2 ARG 13 2HB ARG 13 3.898 -7.211 0.087
72 HB3 ARG 13 1HB ARG 13 2.316 -7.934 -0.139
73 HG2 ARG 13 2HG ARG 13 2.697 -7.956 -2.569
74 HG3 ARG 13 1HG ARG 13 4.309 -7.287 -2.298
75 HD2 ARG 13 2HD ARG 13 4.983 -9.226 -1.080
76 HD3 ARG 13 1HD ARG 13 3.343 -9.869 -1.082
77 HE ARG 13 HE ARG 13 4.313 -9.443 -3.716
78 HH11 ARG 13 1HH1 ARG 13 4.562 -11.724 -1.006
79 HH12 ARG 13 2HH1 ARG 13 4.846 -13.076 -1.998
80 HH21 ARG 13 1HH2 ARG 13 4.705 -11.293 -5.062
81 HH22 ARG 13 2HH2 ARG 13 4.919 -12.826 -4.368
82 H TRP 14 HN TRP 14 3.136 -4.655 1.305
83 HA TRP 14 HA TRP 14 1.080 -5.144 3.200
84 HB2 TRP 14 2HB TRP 14 3.479 -3.986 3.380
85 HB3 TRP 14 1HB TRP 14 2.553 -2.528 3.068
86 HD1 TRP 14 1HD TRP 14 3.639 -4.772 5.737
87 HE1 TRP 14 1HE TRP 14 2.540 -4.184 7.988
88 HE3 TRP 14 3HE TRP 14 0.088 -1.523 4.080
89 HZ2 TRP 14 2HZ TRP 14 0.446 -2.554 8.930
90 HZ3 TRP 14 3HZ TRP 14 -1.413 -0.494 5.715
91 HH2 TRP 14 2HH TRP 14 -1.232 -1.006 8.098
92 H CYS 15 HN CYS 15 1.564 -2.375 1.086
93 HA CYS 15 HA CYS 15 -0.939 -1.283 1.832
94 HB2 CYS 15 2HB CYS 15 1.285 -0.553 0.108
95 HB3 CYS 15 1HB CYS 15 -0.209 0.391 0.107
96 H ARG 16 HN ARG 16 0.098 -3.322 -0.556
97 HA ARG 16 HA ARG 16 -2.126 -2.781 -2.296
98 HB2 ARG 16 2HB ARG 16 -0.328 -5.193 -2.084
99 HB3 ARG 16 1HB ARG 16 -1.631 -5.067 -3.253
100 HG2 ARG 16 2HG ARG 16 -0.558 -3.147 -4.282
101 HG3 ARG 16 1HG ARG 16 0.728 -3.205 -3.073
102 HD2 ARG 16 2HD ARG 16 1.386 -4.265 -5.199
103 HD3 ARG 16 1HD ARG 16 1.403 -5.392 -3.843
104 HE ARG 16 HE ARG 16 -1.021 -5.302 -5.402
105 HH11 ARG 16 1HH1 ARG 16 2.104 -6.919 -4.956
106 HH12 ARG 16 2HH1 ARG 16 1.607 -8.384 -5.656
107 HH21 ARG 16 1HH2 ARG 16 -1.708 -7.353 -6.383
108 HH22 ARG 16 2HH2 ARG 16 -0.604 -8.636 -6.479
109 H ASP 17 HN ASP 17 -1.445 -5.076 0.274
110 HA ASP 17 HA ASP 17 -3.990 -6.410 0.066
111 HB2 ASP 17 2HB ASP 17 -1.804 -7.458 0.855
112 HB3 ASP 17 1HB ASP 17 -2.013 -6.540 2.329
113 H HIS 18 HN HIS 18 -2.510 -4.031 2.208
114 HA HIS 18 HA HIS 18 -5.002 -3.754 3.768
115 HB2 HIS 18 2HB HIS 18 -2.217 -2.711 4.372
116 HB3 HIS 18 1HB HIS 18 -3.575 -2.669 5.467
117 HD1 HIS 18 1HD HIS 18 -4.212 -5.859 4.778
118 HD2 HIS 18 2HD HIS 18 -0.697 -4.140 6.117
119 HE1 HIS 18 1HE HIS 18 -2.972 -7.682 5.973
120 H ALA 19 HN ALA 19 -4.725 -2.714 1.160
121 HA ALA 19 HA ALA 19 -3.762 -0.116 0.920
122 HB1 ALA 19 1HB ALA 19 -4.308 -1.558 -0.976
123 HB2 ALA 19 2HB ALA 19 -5.013 0.053 -1.100
124 HB3 ALA 19 3HB ALA 19 -6.029 -1.321 -0.643
125 H ARG 20 HN ARG 20 -4.430 1.751 1.416
126 HA ARG 20 HA ARG 20 -7.173 2.128 2.378
127 HB2 ARG 20 2HB ARG 20 -4.665 3.699 2.988
128 HB3 ARG 20 1HB ARG 20 -6.281 4.188 3.479
129 HG2 ARG 20 2HG ARG 20 -4.982 1.600 4.281
130 HG3 ARG 20 1HG ARG 20 -4.993 3.064 5.267
131 HD2 ARG 20 2HD ARG 20 -7.408 3.025 5.365
132 HD3 ARG 20 1HD ARG 20 -7.468 1.637 4.281
133 HE ARG 20 HE ARG 20 -6.044 0.591 6.151
134 HH11 ARG 20 1HH1 ARG 20 -8.823 2.757 6.625
135 HH12 ARG 20 2HH1 ARG 20 -9.309 2.023 8.074
136 HH21 ARG 20 1HH2 ARG 20 -6.727 -0.406 8.105
137 HH22 ARG 20 2HH2 ARG 20 -8.078 0.191 8.956
138 H CYS 21 HN CYS 21 -4.612 3.720 0.493
139 HA CYS 21 HA CYS 21 -6.752 4.980 -1.062
140 HB2 CYS 21 2HB CYS 21 -4.003 6.118 -0.504
141 HB3 CYS 21 1HB CYS 21 -5.317 6.914 -1.358
142 H CYS 22 HN CYS 22 -3.257 4.134 -1.147
143 HA CYS 22 HA CYS 22 -3.667 3.133 -3.830
144 HB2 CYS 22 2HB CYS 22 -1.297 3.849 -4.225
145 HB3 CYS 22 1HB CYS 22 -2.414 5.166 -3.869
146 HN1 NH2 23 1H CYS 22 -3.729 0.982 -3.611
147 HN2 NH2 23 2H CYS 22 -2.698 0.045 -2.582
Start of MODEL 15
1 H1 ARG 1 1HT ARG 1 0.701 3.582 8.308
2 H2 ARG 1 2HT ARG 1 1.369 2.245 7.547
3 H3 ARG 1 3HT ARG 1 0.123 2.039 8.636
4 HA ARG 1 HA ARG 1 -0.653 1.831 6.336
5 HB2 ARG 1 2HB ARG 1 -2.502 3.443 6.458
6 HB3 ARG 1 1HB ARG 1 -2.283 2.563 7.955
7 HG2 ARG 1 2HG ARG 1 -1.287 4.479 9.018
8 HG3 ARG 1 1HG ARG 1 -1.226 5.343 7.479
9 HD2 ARG 1 2HD ARG 1 -3.748 4.453 8.862
10 HD3 ARG 1 1HD ARG 1 -3.083 6.090 8.906
11 HE ARG 1 HE ARG 1 -3.307 5.319 6.254
12 HH11 ARG 1 1HH1 ARG 1 -5.437 6.080 8.960
13 HH12 ARG 1 2HH1 ARG 1 -6.732 6.633 8.002
14 HH21 ARG 1 1HH2 ARG 1 -5.114 6.148 4.891
15 HH22 ARG 1 2HH2 ARG 1 -6.516 6.692 5.671
16 H GLY 2 HN GLY 2 1.870 2.865 5.658
17 HA2 GLY 2 2HA GLY 2 1.598 5.506 4.686
18 HA3 GLY 2 1HA GLY 2 2.954 4.408 4.517
19 H CYS 3 HN CYS 3 -0.096 3.308 3.514
20 HA CYS 3 HA CYS 3 0.729 3.260 0.758
21 HB2 CYS 3 2HB CYS 3 -1.962 2.579 1.942
22 HB3 CYS 3 1HB CYS 3 -1.338 2.085 0.376
23 H CYS 4 HN CYS 4 -0.668 5.424 2.817
24 HA CYS 4 HA CYS 4 -1.913 7.003 0.702
25 HB2 CYS 4 2HB CYS 4 -1.498 7.764 3.601
26 HB3 CYS 4 1HB CYS 4 -2.696 8.409 2.477
27 H ASN 5 HN ASN 5 0.572 7.150 3.145
28 HA ASN 5 HA ASN 5 2.622 8.179 1.497
29 HB2 ASN 5 2HB ASN 5 1.173 10.212 1.936
30 HB3 ASN 5 1HB ASN 5 1.489 9.997 3.645
31 HD21 ASN 5 1HD2 ASN 5 2.110 12.246 1.887
32 HD22 ASN 5 2HD2 ASN 5 3.815 12.483 2.015
33 H GLY 6 HN GLY 6 4.247 6.974 2.413
34 HA2 GLY 6 2HA GLY 6 5.418 7.158 4.784
35 HA3 GLY 6 1HA GLY 6 4.013 6.210 5.229
36 H ARG 7 HN ARG 7 3.950 4.624 2.780
37 HA ARG 7 HA ARG 7 5.980 2.779 3.555
38 HB2 ARG 7 2HB ARG 7 3.613 2.575 1.706
39 HB3 ARG 7 1HB ARG 7 4.825 1.312 1.780
40 HG2 ARG 7 2HG ARG 7 3.240 2.265 4.156
41 HG3 ARG 7 1HG ARG 7 2.763 0.914 3.134
42 HD2 ARG 7 2HD ARG 7 5.364 1.071 4.684
43 HD3 ARG 7 1HD ARG 7 3.930 0.193 5.205
44 HE ARG 7 HE ARG 7 4.981 -0.529 2.622
45 HH11 ARG 7 1HH1 ARG 7 4.906 -1.225 6.104
46 HH12 ARG 7 2HH1 ARG 7 5.387 -2.849 5.908
47 HH21 ARG 7 1HH2 ARG 7 5.611 -2.848 2.400
48 HH22 ARG 7 2HH2 ARG 7 5.744 -3.755 3.822
49 H GLY 8 HN GLY 8 6.890 1.521 1.398
50 HA2 GLY 8 2HA GLY 8 8.253 3.461 -0.218
51 HA3 GLY 8 1HA GLY 8 8.396 1.710 -0.330
52 H GLY 9 HN GLY 9 6.038 4.262 -0.922
53 HA2 GLY 9 2HA GLY 9 4.924 4.766 -2.903
54 HA3 GLY 9 1HA GLY 9 5.617 3.310 -3.620
55 H CYS 10 HN CYS 10 3.658 2.601 -4.418
56 HA CYS 10 HA CYS 10 1.686 1.713 -2.405
57 HB2 CYS 10 2HB CYS 10 1.344 1.862 -5.407
58 HB3 CYS 10 1HB CYS 10 0.098 1.566 -4.204
59 H SER 11 HN SER 11 4.219 0.722 -4.430
60 HA SER 11 HA SER 11 3.361 -1.665 -5.465
61 HB2 SER 11 2HB SER 11 6.075 -0.513 -5.012
62 HB3 SER 11 1HB SER 11 5.539 -1.650 -6.252
63 HG SER 11 HG SER 11 4.229 -0.066 -7.121
64 H SER 12 HN SER 12 3.562 -1.313 -2.256
65 HA SER 12 HA SER 12 5.211 -3.704 -1.900
66 HB2 SER 12 2HB SER 12 5.741 -1.606 -0.499
67 HB3 SER 12 1HB SER 12 4.192 -1.933 0.298
68 HG SER 12 HG SER 12 6.461 -3.590 0.218
69 H ARG 13 HN ARG 13 4.385 -5.284 -0.419
70 HA ARG 13 HA ARG 13 1.815 -6.168 -1.265
71 HB2 ARG 13 2HB ARG 13 3.565 -7.264 0.932
72 HB3 ARG 13 1HB ARG 13 2.113 -8.047 0.335
73 HG2 ARG 13 2HG ARG 13 3.141 -8.226 -1.878
74 HG3 ARG 13 1HG ARG 13 4.609 -7.483 -1.243
75 HD2 ARG 13 2HD ARG 13 3.374 -10.048 -0.254
76 HD3 ARG 13 1HD ARG 13 4.753 -9.945 -1.339
77 HE ARG 13 HE ARG 13 5.598 -8.513 0.737
78 HH11 ARG 13 1HH1 ARG 13 4.071 -11.685 0.620
79 HH12 ARG 13 2HH1 ARG 13 4.891 -12.336 1.959
80 HH21 ARG 13 1HH2 ARG 13 6.796 -9.394 2.583
81 HH22 ARG 13 2HH2 ARG 13 6.507 -10.995 3.085
82 H TRP 14 HN TRP 14 2.849 -4.522 1.585
83 HA TRP 14 HA TRP 14 0.587 -4.806 3.267
84 HB2 TRP 14 2HB TRP 14 2.959 -3.532 3.483
85 HB3 TRP 14 1HB TRP 14 1.975 -2.171 2.986
86 HD1 TRP 14 1HD TRP 14 3.012 -4.127 5.908
87 HE1 TRP 14 1HE TRP 14 1.817 -3.370 8.031
88 HE3 TRP 14 3HE TRP 14 -0.566 -1.176 3.775
89 HZ2 TRP 14 2HZ TRP 14 -0.377 -1.712 8.728
90 HZ3 TRP 14 3HZ TRP 14 -2.172 -0.037 5.252
91 HH2 TRP 14 2HH TRP 14 -2.075 -0.299 7.666
92 H CYS 15 HN CYS 15 1.203 -2.649 0.581
93 HA CYS 15 HA CYS 15 -1.315 -1.337 0.901
94 HB2 CYS 15 2HB CYS 15 0.845 -1.187 -1.104
95 HB3 CYS 15 1HB CYS 15 -0.539 -0.080 -0.942
96 H ARG 16 HN ARG 16 -0.094 -4.020 -0.629
97 HA ARG 16 HA ARG 16 -2.144 -4.069 -2.671
98 HB2 ARG 16 2HB ARG 16 -0.148 -6.198 -1.895
99 HB3 ARG 16 1HB ARG 16 -1.331 -6.335 -3.190
100 HG2 ARG 16 2HG ARG 16 0.791 -4.203 -3.117
101 HG3 ARG 16 1HG ARG 16 0.984 -5.749 -3.939
102 HD2 ARG 16 2HD ARG 16 0.302 -4.028 -5.526
103 HD3 ARG 16 1HD ARG 16 -0.970 -5.231 -5.344
104 HE ARG 16 HE ARG 16 -1.271 -2.996 -3.614
105 HH11 ARG 16 1HH1 ARG 16 -1.892 -4.102 -6.905
106 HH12 ARG 16 2HH1 ARG 16 -3.215 -3.073 -7.166
107 HH21 ARG 16 1HH2 ARG 16 -3.163 -1.623 -3.943
108 HH22 ARG 16 2HH2 ARG 16 -3.951 -1.640 -5.453
109 H ASP 17 HN ASP 17 -1.747 -5.218 0.535
110 HA ASP 17 HA ASP 17 -4.266 -6.728 0.269
111 HB2 ASP 17 2HB ASP 17 -2.142 -7.736 1.378
112 HB3 ASP 17 1HB ASP 17 -2.527 -6.668 2.694
113 H HIS 18 HN HIS 18 -2.746 -4.136 2.120
114 HA HIS 18 HA HIS 18 -5.263 -3.671 3.569
115 HB2 HIS 18 2HB HIS 18 -2.534 -2.616 4.309
116 HB3 HIS 18 1HB HIS 18 -3.948 -2.748 5.329
117 HD1 HIS 18 1HD HIS 18 -4.568 -5.708 5.237
118 HD2 HIS 18 2HD HIS 18 -0.700 -4.255 5.268
119 HE1 HIS 18 1HE HIS 18 -3.152 -7.572 6.137
120 H ALA 19 HN ALA 19 -4.891 -2.772 0.930
121 HA ALA 19 HA ALA 19 -3.852 -0.134 0.776
122 HB1 ALA 19 1HB ALA 19 -4.915 -0.002 -1.384
123 HB2 ALA 19 2HB ALA 19 -5.893 -1.420 -1.022
124 HB3 ALA 19 3HB ALA 19 -4.141 -1.576 -1.190
125 H ARG 20 HN ARG 20 -4.736 1.242 2.255
126 HA ARG 20 HA ARG 20 -7.599 1.640 2.324
127 HB2 ARG 20 2HB ARG 20 -6.274 1.864 4.385
128 HB3 ARG 20 1HB ARG 20 -5.361 3.181 3.659
129 HG2 ARG 20 2HG ARG 20 -6.981 4.096 5.160
130 HG3 ARG 20 1HG ARG 20 -7.453 4.475 3.501
131 HD2 ARG 20 2HD ARG 20 -9.050 2.613 3.540
132 HD3 ARG 20 1HD ARG 20 -8.560 2.253 5.197
133 HE ARG 20 HE ARG 20 -9.615 4.882 4.548
134 HH11 ARG 20 1HH1 ARG 20 -10.035 1.773 6.204
135 HH12 ARG 20 2HH1 ARG 20 -11.320 2.288 7.191
136 HH21 ARG 20 1HH2 ARG 20 -11.361 5.628 5.903
137 HH22 ARG 20 2HH2 ARG 20 -12.081 4.565 7.029
138 H CYS 21 HN CYS 21 -4.705 3.400 1.364
139 HA CYS 21 HA CYS 21 -6.407 5.263 -0.127
140 HB2 CYS 21 2HB CYS 21 -3.512 5.577 0.672
141 HB3 CYS 21 1HB CYS 21 -4.499 6.808 -0.106
142 H CYS 22 HN CYS 22 -3.066 3.948 -0.604
143 HA CYS 22 HA CYS 22 -3.854 3.242 -3.311
144 HB2 CYS 22 2HB CYS 22 -2.627 5.389 -3.352
145 HB3 CYS 22 1HB CYS 22 -1.299 4.637 -2.485
146 HN1 NH2 23 1H CYS 22 -3.812 1.121 -3.141
147 HN2 NH2 23 2H CYS 22 -2.555 0.153 -2.435
Start of MODEL 16
1 H1 ARG 1 1HT ARG 1 -1.732 5.072 7.704
2 H2 ARG 1 2HT ARG 1 -0.206 4.941 8.345
3 H3 ARG 1 3HT ARG 1 -1.415 3.959 8.947
4 HA ARG 1 HA ARG 1 0.122 2.801 7.559
5 HB2 ARG 1 2HB ARG 1 -1.406 1.617 6.120
6 HB3 ARG 1 1HB ARG 1 -2.281 2.092 7.547
7 HG2 ARG 1 2HG ARG 1 -2.463 3.524 4.894
8 HG3 ARG 1 1HG ARG 1 -3.561 2.251 5.408
9 HD2 ARG 1 2HD ARG 1 -3.154 4.933 6.721
10 HD3 ARG 1 1HD ARG 1 -4.543 4.433 5.768
11 HE ARG 1 HE ARG 1 -4.246 2.603 7.825
12 HH11 ARG 1 1HH1 ARG 1 -5.086 6.043 7.474
13 HH12 ARG 1 2HH1 ARG 1 -6.021 6.093 8.883
14 HH21 ARG 1 1HH2 ARG 1 -5.574 2.678 9.727
15 HH22 ARG 1 2HH2 ARG 1 -6.343 4.139 10.163
16 H GLY 2 HN GLY 2 1.564 2.822 5.872
17 HA2 GLY 2 2HA GLY 2 1.833 5.276 4.506
18 HA3 GLY 2 1HA GLY 2 2.871 3.876 4.347
19 H CYS 3 HN CYS 3 -0.252 2.980 3.830
20 HA CYS 3 HA CYS 3 0.100 2.857 0.956
21 HB2 CYS 3 2HB CYS 3 -2.231 1.989 2.641
22 HB3 CYS 3 1HB CYS 3 -1.943 1.574 0.955
23 H CYS 4 HN CYS 4 -0.455 5.215 2.647
24 HA CYS 4 HA CYS 4 -2.261 6.505 0.744
25 HB2 CYS 4 2HB CYS 4 -1.806 7.315 3.644
26 HB3 CYS 4 1HB CYS 4 -2.921 8.084 2.514
27 H ASN 5 HN ASN 5 0.467 6.813 2.940
28 HA ASN 5 HA ASN 5 2.347 7.525 1.060
29 HB2 ASN 5 2HB ASN 5 1.002 9.693 1.240
30 HB3 ASN 5 1HB ASN 5 1.567 9.810 2.894
31 HD21 ASN 5 1HD2 ASN 5 2.121 11.657 0.709
32 HD22 ASN 5 2HD2 ASN 5 3.830 11.719 0.537
33 H GLY 6 HN GLY 6 4.131 6.766 2.043
34 HA2 GLY 6 2HA GLY 6 5.523 7.195 4.127
35 HA3 GLY 6 1HA GLY 6 4.107 6.614 4.995
36 H ARG 7 HN ARG 7 4.200 4.830 2.291
37 HA ARG 7 HA ARG 7 5.552 2.658 3.689
38 HB2 ARG 7 2HB ARG 7 3.181 2.468 2.602
39 HB3 ARG 7 1HB ARG 7 4.060 2.486 1.087
40 HG2 ARG 7 2HG ARG 7 3.470 0.238 1.577
41 HG3 ARG 7 1HG ARG 7 5.210 0.407 1.754
42 HD2 ARG 7 2HD ARG 7 3.223 0.445 4.037
43 HD3 ARG 7 1HD ARG 7 4.144 -0.970 3.551
44 HE ARG 7 HE ARG 7 5.994 0.958 3.970
45 HH11 ARG 7 1HH1 ARG 7 3.482 -0.560 5.995
46 HH12 ARG 7 2HH1 ARG 7 4.363 -0.351 7.431
47 HH21 ARG 7 1HH2 ARG 7 7.146 1.218 5.933
48 HH22 ARG 7 2HH2 ARG 7 6.496 0.671 7.406
49 H GLY 8 HN GLY 8 6.852 1.174 1.817
50 HA2 GLY 8 2HA GLY 8 8.740 2.920 0.592
51 HA3 GLY 8 1HA GLY 8 8.712 1.162 0.494
52 H GLY 9 HN GLY 9 5.758 1.703 -0.292
53 HA2 GLY 9 2HA GLY 9 5.654 3.050 -2.707
54 HA3 GLY 9 1HA GLY 9 6.022 1.355 -3.034
55 H CYS 10 HN CYS 10 3.602 2.891 -3.637
56 HA CYS 10 HA CYS 10 1.551 2.023 -1.864
57 HB2 CYS 10 2HB CYS 10 1.441 3.104 -4.662
58 HB3 CYS 10 1HB CYS 10 0.014 2.641 -3.744
59 H SER 11 HN SER 11 3.210 0.537 -4.433
60 HA SER 11 HA SER 11 1.142 -1.504 -4.504
61 HB2 SER 11 2HB SER 11 1.751 -0.469 -6.704
62 HB3 SER 11 1HB SER 11 3.393 -1.075 -6.501
63 HG SER 11 HG SER 11 2.681 -3.115 -6.635
64 H SER 12 HN SER 12 3.515 -0.933 -2.569
65 HA SER 12 HA SER 12 5.092 -3.292 -2.740
66 HB2 SER 12 2HB SER 12 5.714 -1.237 -1.362
67 HB3 SER 12 1HB SER 12 4.415 -1.716 -0.255
68 HG SER 12 HG SER 12 6.054 -2.714 0.655
69 H ARG 13 HN ARG 13 4.872 -5.019 -1.162
70 HA ARG 13 HA ARG 13 2.375 -6.331 -1.487
71 HB2 ARG 13 2HB ARG 13 4.496 -7.524 -1.233
72 HB3 ARG 13 1HB ARG 13 4.586 -7.006 0.441
73 HG2 ARG 13 2HG ARG 13 2.656 -8.317 1.007
74 HG3 ARG 13 1HG ARG 13 2.399 -8.729 -0.692
75 HD2 ARG 13 2HD ARG 13 4.808 -9.459 0.960
76 HD3 ARG 13 1HD ARG 13 3.493 -10.545 0.494
77 HE ARG 13 HE ARG 13 4.495 -9.399 -1.823
78 HH11 ARG 13 1HH1 ARG 13 5.650 -11.619 0.674
79 HH12 ARG 13 2HH1 ARG 13 6.726 -12.434 -0.365
80 HH21 ARG 13 1HH2 ARG 13 5.896 -10.480 -3.218
81 HH22 ARG 13 2HH2 ARG 13 6.870 -11.772 -2.670
82 H TRP 14 HN TRP 14 3.626 -4.683 1.304
83 HA TRP 14 HA TRP 14 1.545 -5.185 3.171
84 HB2 TRP 14 2HB TRP 14 3.857 -3.933 3.345
85 HB3 TRP 14 1HB TRP 14 2.919 -2.530 2.859
86 HD1 TRP 14 1HD TRP 14 3.619 -4.847 5.746
87 HE1 TRP 14 1HE TRP 14 2.604 -3.871 7.902
88 HE3 TRP 14 3HE TRP 14 0.989 -1.026 3.710
89 HZ2 TRP 14 2HZ TRP 14 0.902 -1.735 8.627
90 HZ3 TRP 14 3HZ TRP 14 -0.283 0.431 5.154
91 HH2 TRP 14 2HH TRP 14 -0.332 0.093 7.597
92 H CYS 15 HN CYS 15 1.798 -2.830 0.600
93 HA CYS 15 HA CYS 15 -0.738 -1.704 1.252
94 HB2 CYS 15 2HB CYS 15 1.402 -1.187 -0.685
95 HB3 CYS 15 1HB CYS 15 -0.152 -0.378 -0.821
96 H ARG 16 HN ARG 16 0.507 -4.070 -0.878
97 HA ARG 16 HA ARG 16 -1.612 -4.093 -2.770
98 HB2 ARG 16 2HB ARG 16 0.011 -6.434 -1.728
99 HB3 ARG 16 1HB ARG 16 -1.037 -6.503 -3.129
100 HG2 ARG 16 2HG ARG 16 1.445 -4.819 -2.852
101 HG3 ARG 16 1HG ARG 16 1.307 -6.322 -3.759
102 HD2 ARG 16 2HD ARG 16 -0.158 -3.744 -4.326
103 HD3 ARG 16 1HD ARG 16 1.209 -4.383 -5.228
104 HE ARG 16 HE ARG 16 -0.993 -6.190 -5.088
105 HH11 ARG 16 1HH1 ARG 16 0.447 -3.511 -6.959
106 HH12 ARG 16 2HH1 ARG 16 -0.538 -3.749 -8.304
107 HH21 ARG 16 1HH2 ARG 16 -2.312 -6.530 -6.940
108 HH22 ARG 16 2HH2 ARG 16 -2.180 -5.531 -8.314
109 H ASP 17 HN ASP 17 -1.187 -5.365 0.392
110 HA ASP 17 HA ASP 17 -3.835 -6.606 0.437
111 HB2 ASP 17 2HB ASP 17 -1.771 -7.592 1.602
112 HB3 ASP 17 1HB ASP 17 -1.936 -6.282 2.747
113 H HIS 18 HN HIS 18 -2.113 -4.008 2.188
114 HA HIS 18 HA HIS 18 -4.548 -3.295 3.630
115 HB2 HIS 18 2HB HIS 18 -1.724 -2.252 4.054
116 HB3 HIS 18 1HB HIS 18 -3.079 -2.070 5.145
117 HD1 HIS 18 1HD HIS 18 -3.757 -5.350 4.822
118 HD2 HIS 18 2HD HIS 18 -0.175 -3.563 5.880
119 HE1 HIS 18 1HE HIS 18 -2.550 -7.013 6.250
120 H ALA 19 HN ALA 19 -4.094 -2.574 0.796
121 HA ALA 19 HA ALA 19 -3.538 0.153 0.426
122 HB1 ALA 19 1HB ALA 19 -3.818 -1.413 -1.441
123 HB2 ALA 19 2HB ALA 19 -4.800 0.040 -1.635
124 HB3 ALA 19 3HB ALA 19 -5.556 -1.474 -1.122
125 H ARG 20 HN ARG 20 -4.403 1.713 1.564
126 HA ARG 20 HA ARG 20 -7.267 1.616 2.176
127 HB2 ARG 20 2HB ARG 20 -5.588 1.860 4.051
128 HB3 ARG 20 1HB ARG 20 -5.201 3.444 3.408
129 HG2 ARG 20 2HG ARG 20 -6.694 3.785 5.230
130 HG3 ARG 20 1HG ARG 20 -7.621 4.068 3.760
131 HD2 ARG 20 2HD ARG 20 -7.627 1.477 5.326
132 HD3 ARG 20 1HD ARG 20 -8.842 2.738 5.491
133 HE ARG 20 HE ARG 20 -9.106 2.310 2.961
134 HH11 ARG 20 1HH1 ARG 20 -8.660 -0.168 5.461
135 HH12 ARG 20 2HH1 ARG 20 -9.385 -1.395 4.536
136 HH21 ARG 20 1HH2 ARG 20 -10.088 0.599 1.714
137 HH22 ARG 20 2HH2 ARG 20 -10.223 -0.956 2.374
138 H CYS 21 HN CYS 21 -4.817 4.092 1.276
139 HA CYS 21 HA CYS 21 -7.010 5.620 0.043
140 HB2 CYS 21 2HB CYS 21 -4.223 6.622 0.590
141 HB3 CYS 21 1HB CYS 21 -5.687 7.557 0.322
142 H CYS 22 HN CYS 22 -3.592 4.824 -0.464
143 HA CYS 22 HA CYS 22 -3.813 5.422 -3.278
144 HB2 CYS 22 2HB CYS 22 -1.977 6.396 -1.927
145 HB3 CYS 22 1HB CYS 22 -1.440 4.789 -1.488
146 HN1 NH2 23 1H CYS 22 -1.728 2.945 -1.850
147 HN2 NH2 23 2H CYS 22 -2.428 1.615 -2.705
Start of MODEL 17
1 H1 ARG 1 1HT ARG 1 0.843 3.511 8.940
2 H2 ARG 1 2HT ARG 1 2.157 2.722 8.233
3 H3 ARG 1 3HT ARG 1 1.063 1.844 9.147
4 HA ARG 1 HA ARG 1 0.819 1.507 6.795
5 HB2 ARG 1 2HB ARG 1 -1.658 2.099 6.614
6 HB3 ARG 1 1HB ARG 1 -1.186 1.071 7.950
7 HG2 ARG 1 2HG ARG 1 -1.326 2.939 9.477
8 HG3 ARG 1 1HG ARG 1 -1.655 4.037 8.136
9 HD2 ARG 1 2HD ARG 1 -3.697 3.441 9.363
10 HD3 ARG 1 1HD ARG 1 -3.748 2.889 7.692
11 HE ARG 1 HE ARG 1 -2.741 0.847 9.299
12 HH11 ARG 1 1HH1 ARG 1 -5.789 2.591 8.761
13 HH12 ARG 1 2HH1 ARG 1 -6.802 1.278 9.146
14 HH21 ARG 1 1HH2 ARG 1 -4.199 -1.014 9.841
15 HH22 ARG 1 2HH2 ARG 1 -5.878 -0.785 9.748
16 H GLY 2 HN GLY 2 2.047 2.646 5.340
17 HA2 GLY 2 2HA GLY 2 1.286 5.395 4.739
18 HA3 GLY 2 1HA GLY 2 2.734 4.590 4.203
19 H CYS 3 HN CYS 3 -0.575 3.675 4.030
20 HA CYS 3 HA CYS 3 -0.184 2.979 1.217
21 HB2 CYS 3 2HB CYS 3 -2.494 2.303 3.011
22 HB3 CYS 3 1HB CYS 3 -2.175 1.657 1.409
23 H CYS 4 HN CYS 4 -0.845 5.568 2.610
24 HA CYS 4 HA CYS 4 -2.534 6.473 0.397
25 HB2 CYS 4 2HB CYS 4 -2.099 7.983 3.000
26 HB3 CYS 4 1HB CYS 4 -3.266 8.342 1.745
27 H ASN 5 HN ASN 5 0.116 7.188 2.582
28 HA ASN 5 HA ASN 5 2.024 7.554 0.606
29 HB2 ASN 5 2HB ASN 5 0.679 9.714 0.414
30 HB3 ASN 5 1HB ASN 5 1.255 10.117 2.018
31 HD21 ASN 5 1HD2 ASN 5 2.411 11.926 1.314
32 HD22 ASN 5 2HD2 ASN 5 3.863 11.796 0.398
33 H GLY 6 HN GLY 6 3.762 6.856 1.645
34 HA2 GLY 6 2HA GLY 6 5.105 7.784 3.736
35 HA3 GLY 6 1HA GLY 6 3.790 6.974 4.572
36 H ARG 7 HN ARG 7 3.710 4.821 2.514
37 HA ARG 7 HA ARG 7 5.730 3.183 3.771
38 HB2 ARG 7 2HB ARG 7 3.493 2.257 3.421
39 HB3 ARG 7 1HB ARG 7 3.625 2.521 1.693
40 HG2 ARG 7 2HG ARG 7 3.999 0.269 1.827
41 HG3 ARG 7 1HG ARG 7 5.648 0.875 1.905
42 HD2 ARG 7 2HD ARG 7 3.941 -0.002 4.248
43 HD3 ARG 7 1HD ARG 7 5.266 -0.908 3.546
44 HE ARG 7 HE ARG 7 6.013 1.699 4.495
45 HH11 ARG 7 1HH1 ARG 7 5.739 -1.729 5.343
46 HH12 ARG 7 2HH1 ARG 7 6.588 -1.584 6.801
47 HH21 ARG 7 1HH2 ARG 7 7.236 1.878 6.480
48 HH22 ARG 7 2HH2 ARG 7 7.465 0.530 7.470
49 H GLY 8 HN GLY 8 7.433 2.196 2.636
50 HA2 GLY 8 2HA GLY 8 8.419 3.597 0.358
51 HA3 GLY 8 1HA GLY 8 9.146 2.168 1.088
52 H GLY 9 HN GLY 9 6.709 3.312 -1.085
53 HA2 GLY 9 2HA GLY 9 6.212 2.403 -3.150
54 HA3 GLY 9 1HA GLY 9 6.817 0.839 -2.672
55 H CYS 10 HN CYS 10 4.238 2.391 -3.426
56 HA CYS 10 HA CYS 10 2.434 1.354 -1.408
57 HB2 CYS 10 2HB CYS 10 1.951 3.553 -2.485
58 HB3 CYS 10 1HB CYS 10 1.698 2.716 -4.016
59 H SER 11 HN SER 11 3.716 0.383 -4.392
60 HA SER 11 HA SER 11 1.638 -1.545 -4.912
61 HB2 SER 11 2HB SER 11 2.925 -0.363 -6.739
62 HB3 SER 11 1HB SER 11 4.342 -1.290 -6.263
63 HG SER 11 HG SER 11 3.627 -2.669 -7.610
64 H SER 12 HN SER 12 4.048 -1.369 -2.716
65 HA SER 12 HA SER 12 5.116 -4.012 -2.728
66 HB2 SER 12 2HB SER 12 6.067 -1.915 -1.532
67 HB3 SER 12 1HB SER 12 4.760 -2.190 -0.372
68 HG SER 12 HG SER 12 6.869 -3.964 -0.984
69 H ARG 13 HN ARG 13 4.527 -5.564 -1.012
70 HA ARG 13 HA ARG 13 1.877 -6.317 -1.394
71 HB2 ARG 13 2HB ARG 13 3.480 -8.021 -0.965
72 HB3 ARG 13 1HB ARG 13 3.830 -7.372 0.629
73 HG2 ARG 13 2HG ARG 13 1.761 -8.120 1.488
74 HG3 ARG 13 1HG ARG 13 1.123 -8.443 -0.123
75 HD2 ARG 13 2HD ARG 13 3.454 -9.884 1.134
76 HD3 ARG 13 1HD ARG 13 1.799 -10.497 1.078
77 HE ARG 13 HE ARG 13 2.421 -9.866 -1.500
78 HH11 ARG 13 1HH1 ARG 13 3.872 -12.032 0.890
79 HH12 ARG 13 2HH1 ARG 13 4.309 -13.225 -0.245
80 HH21 ARG 13 1HH2 ARG 13 3.084 -11.473 -3.061
81 HH22 ARG 13 2HH2 ARG 13 3.882 -12.885 -2.546
82 H TRP 14 HN TRP 14 3.198 -4.608 1.339
83 HA TRP 14 HA TRP 14 1.046 -4.969 3.100
84 HB2 TRP 14 2HB TRP 14 3.427 -3.764 3.381
85 HB3 TRP 14 1HB TRP 14 2.447 -2.334 3.086
86 HD1 TRP 14 1HD TRP 14 3.482 -4.693 5.726
87 HE1 TRP 14 1HE TRP 14 2.258 -4.222 7.933
88 HE3 TRP 14 3HE TRP 14 -0.066 -1.460 4.006
89 HZ2 TRP 14 2HZ TRP 14 0.057 -2.684 8.825
90 HZ3 TRP 14 3HZ TRP 14 -1.686 -0.539 5.595
91 HH2 TRP 14 2HH TRP 14 -1.622 -1.142 7.957
92 H CYS 15 HN CYS 15 1.618 -2.248 0.932
93 HA CYS 15 HA CYS 15 -0.994 -1.275 1.435
94 HB2 CYS 15 2HB CYS 15 1.277 -0.451 -0.269
95 HB3 CYS 15 1HB CYS 15 -0.249 0.422 -0.230
96 H ARG 16 HN ARG 16 0.516 -3.262 -0.925
97 HA ARG 16 HA ARG 16 -1.404 -3.015 -2.978
98 HB2 ARG 16 2HB ARG 16 0.797 -4.162 -3.263
99 HB3 ARG 16 1HB ARG 16 0.220 -5.455 -2.223
100 HG2 ARG 16 2HG ARG 16 -1.566 -5.925 -3.864
101 HG3 ARG 16 1HG ARG 16 -0.867 -4.708 -4.929
102 HD2 ARG 16 2HD ARG 16 0.528 -7.182 -3.926
103 HD3 ARG 16 1HD ARG 16 -0.182 -6.998 -5.525
104 HE ARG 16 HE ARG 16 1.879 -5.072 -4.792
105 HH11 ARG 16 1HH1 ARG 16 1.124 -8.090 -6.494
106 HH12 ARG 16 2HH1 ARG 16 2.556 -8.066 -7.419
107 HH21 ARG 16 1HH2 ARG 16 3.836 -5.067 -6.049
108 HH22 ARG 16 2HH2 ARG 16 4.133 -6.340 -7.156
109 H ASP 17 HN ASP 17 -1.309 -4.785 0.023
110 HA ASP 17 HA ASP 17 -3.779 -6.234 -0.609
111 HB2 ASP 17 2HB ASP 17 -1.694 -7.294 0.536
112 HB3 ASP 17 1HB ASP 17 -2.197 -6.372 1.920
113 H HIS 18 HN HIS 18 -2.425 -4.114 1.910
114 HA HIS 18 HA HIS 18 -5.006 -3.948 3.270
115 HB2 HIS 18 2HB HIS 18 -2.324 -2.874 4.184
116 HB3 HIS 18 1HB HIS 18 -3.739 -3.171 5.164
117 HD1 HIS 18 1HD HIS 18 -3.799 -6.290 3.635
118 HD2 HIS 18 2HD HIS 18 -0.926 -4.441 6.012
119 HE1 HIS 18 1HE HIS 18 -2.458 -8.122 4.615
120 H ALA 19 HN ALA 19 -4.489 -2.564 0.811
121 HA ALA 19 HA ALA 19 -3.718 0.063 0.783
122 HB1 ALA 19 1HB ALA 19 -5.127 0.398 -1.091
123 HB2 ALA 19 2HB ALA 19 -6.127 -0.990 -0.647
124 HB3 ALA 19 3HB ALA 19 -4.448 -1.232 -1.151
125 H ARG 20 HN ARG 20 -4.339 1.845 1.701
126 HA ARG 20 HA ARG 20 -6.979 1.939 2.983
127 HB2 ARG 20 2HB ARG 20 -4.508 3.558 3.606
128 HB3 ARG 20 1HB ARG 20 -6.067 3.796 4.371
129 HG2 ARG 20 2HG ARG 20 -4.437 1.255 4.530
130 HG3 ARG 20 1HG ARG 20 -4.475 2.508 5.765
131 HD2 ARG 20 2HD ARG 20 -5.957 0.757 6.474
132 HD3 ARG 20 1HD ARG 20 -6.953 2.111 5.962
133 HE ARG 20 HE ARG 20 -6.445 0.139 3.931
134 HH11 ARG 20 1HH1 ARG 20 -8.633 0.973 6.592
135 HH12 ARG 20 2HH1 ARG 20 -9.980 0.238 5.866
136 HH21 ARG 20 1HH2 ARG 20 -8.285 -0.868 2.982
137 HH22 ARG 20 2HH2 ARG 20 -9.791 -0.855 3.794
138 H CYS 21 HN CYS 21 -4.810 3.908 0.983
139 HA CYS 21 HA CYS 21 -7.197 5.355 0.019
140 HB2 CYS 21 2HB CYS 21 -4.452 6.588 0.347
141 HB3 CYS 21 1HB CYS 21 -5.938 7.408 -0.099
142 H CYS 22 HN CYS 22 -3.965 4.151 -0.563
143 HA CYS 22 HA CYS 22 -4.315 4.259 -3.449
144 HB2 CYS 22 2HB CYS 22 -2.334 5.417 -2.806
145 HB3 CYS 22 1HB CYS 22 -1.946 4.230 -1.574
146 HN1 NH2 23 1H CYS 22 -5.303 2.387 -3.975
147 HN2 NH2 23 2H CYS 22 -4.857 0.821 -3.406
Start of MODEL 18
1 H1 ARG 1 1HT ARG 1 -1.972 1.869 6.706
2 H2 ARG 1 2HT ARG 1 -2.372 3.322 7.401
3 H3 ARG 1 3HT ARG 1 -2.116 1.996 8.395
4 HA ARG 1 HA ARG 1 -0.319 3.547 8.495
5 HB2 ARG 1 2HB ARG 1 0.021 0.968 8.410
6 HB3 ARG 1 1HB ARG 1 0.619 1.232 6.787
7 HG2 ARG 1 2HG ARG 1 2.489 2.451 7.582
8 HG3 ARG 1 1HG ARG 1 1.823 2.557 9.214
9 HD2 ARG 1 2HD ARG 1 2.680 0.041 7.790
10 HD3 ARG 1 1HD ARG 1 3.593 0.873 9.050
11 HE ARG 1 HE ARG 1 0.997 0.263 9.976
12 HH11 ARG 1 1HH1 ARG 1 4.031 -1.438 9.261
13 HH12 ARG 1 2HH1 ARG 1 3.743 -2.674 10.382
14 HH21 ARG 1 1HH2 ARG 1 0.621 -1.420 11.467
15 HH22 ARG 1 2HH2 ARG 1 1.757 -2.665 11.693
16 H GLY 2 HN GLY 2 1.924 3.515 6.422
17 HA2 GLY 2 2HA GLY 2 1.067 5.895 5.141
18 HA3 GLY 2 1HA GLY 2 2.590 5.088 5.021
19 H CYS 3 HN CYS 3 -0.479 3.822 4.075
20 HA CYS 3 HA CYS 3 0.602 3.445 1.386
21 HB2 CYS 3 2HB CYS 3 -1.999 2.524 2.557
22 HB3 CYS 3 1HB CYS 3 -1.399 2.089 0.958
23 H CYS 4 HN CYS 4 -0.631 5.882 2.811
24 HA CYS 4 HA CYS 4 -1.782 6.907 0.318
25 HB2 CYS 4 2HB CYS 4 -2.111 8.174 3.060
26 HB3 CYS 4 1HB CYS 4 -3.010 8.532 1.596
27 H ASN 5 HN ASN 5 0.353 7.395 3.037
28 HA ASN 5 HA ASN 5 2.501 8.320 1.464
29 HB2 ASN 5 2HB ASN 5 1.091 10.408 1.721
30 HB3 ASN 5 1HB ASN 5 1.339 10.290 3.450
31 HD21 ASN 5 1HD2 ASN 5 2.145 12.452 1.712
32 HD22 ASN 5 2HD2 ASN 5 3.855 12.611 1.819
33 H GLY 6 HN GLY 6 4.076 7.224 2.444
34 HA2 GLY 6 2HA GLY 6 5.352 7.613 4.681
35 HA3 GLY 6 1HA GLY 6 3.924 6.871 5.364
36 H ARG 7 HN ARG 7 3.759 4.952 3.037
37 HA ARG 7 HA ARG 7 5.794 3.154 4.090
38 HB2 ARG 7 2HB ARG 7 3.270 2.534 4.065
39 HB3 ARG 7 1HB ARG 7 3.466 2.434 2.327
40 HG2 ARG 7 2HG ARG 7 3.497 0.219 3.175
41 HG3 ARG 7 1HG ARG 7 5.124 0.623 2.650
42 HD2 ARG 7 2HD ARG 7 4.135 0.668 5.510
43 HD3 ARG 7 1HD ARG 7 5.092 -0.619 4.785
44 HE ARG 7 HE ARG 7 6.557 1.613 4.383
45 HH11 ARG 7 1HH1 ARG 7 5.331 -0.056 7.226
46 HH12 ARG 7 2HH1 ARG 7 6.478 0.617 8.300
47 HH21 ARG 7 1HH2 ARG 7 8.161 2.529 5.879
48 HH22 ARG 7 2HH2 ARG 7 8.103 2.076 7.518
49 H GLY 8 HN GLY 8 6.555 1.497 2.118
50 HA2 GLY 8 2HA GLY 8 8.160 2.992 0.466
51 HA3 GLY 8 1HA GLY 8 7.783 1.292 0.269
52 H GLY 9 HN GLY 9 5.382 1.028 -0.642
53 HA2 GLY 9 2HA GLY 9 4.561 3.072 -2.417
54 HA3 GLY 9 1HA GLY 9 5.487 1.835 -3.253
55 H CYS 10 HN CYS 10 3.089 2.180 -4.110
56 HA CYS 10 HA CYS 10 1.054 0.685 -2.768
57 HB2 CYS 10 2HB CYS 10 1.088 1.527 -5.657
58 HB3 CYS 10 1HB CYS 10 -0.304 1.265 -4.612
59 H SER 11 HN SER 11 3.494 0.028 -5.069
60 HA SER 11 HA SER 11 2.351 -2.362 -6.135
61 HB2 SER 11 2HB SER 11 4.045 -0.979 -7.360
62 HB3 SER 11 1HB SER 11 5.254 -1.491 -6.186
63 HG SER 11 HG SER 11 3.861 -3.013 -8.090
64 H SER 12 HN SER 12 4.232 -1.557 -3.354
65 HA SER 12 HA SER 12 5.346 -4.063 -2.752
66 HB2 SER 12 2HB SER 12 6.017 -1.913 -1.661
67 HB3 SER 12 1HB SER 12 4.437 -1.918 -0.853
68 HG SER 12 HG SER 12 6.581 -3.714 -0.531
69 H ARG 13 HN ARG 13 4.636 -5.444 -1.078
70 HA ARG 13 HA ARG 13 1.951 -6.316 -1.668
71 HB2 ARG 13 2HB ARG 13 3.926 -7.481 0.294
72 HB3 ARG 13 1HB ARG 13 2.430 -8.242 -0.224
73 HG2 ARG 13 2HG ARG 13 4.709 -7.524 -2.051
74 HG3 ARG 13 1HG ARG 13 4.424 -9.127 -1.372
75 HD2 ARG 13 2HD ARG 13 2.329 -9.297 -2.536
76 HD3 ARG 13 1HD ARG 13 2.457 -7.632 -3.106
77 HE ARG 13 HE ARG 13 4.635 -8.583 -4.135
78 HH11 ARG 13 1HH1 ARG 13 1.471 -10.221 -4.033
79 HH12 ARG 13 2HH1 ARG 13 1.745 -11.056 -5.478
80 HH21 ARG 13 1HH2 ARG 13 4.927 -9.699 -6.092
81 HH22 ARG 13 2HH2 ARG 13 3.754 -10.782 -6.687
82 H TRP 14 HN TRP 14 3.359 -4.519 0.852
83 HA TRP 14 HA TRP 14 1.307 -4.938 2.808
84 HB2 TRP 14 2HB TRP 14 3.757 -3.791 2.958
85 HB3 TRP 14 1HB TRP 14 2.787 -2.347 2.693
86 HD1 TRP 14 1HD TRP 14 3.735 -4.841 5.297
87 HE1 TRP 14 1HE TRP 14 2.559 -4.307 7.527
88 HE3 TRP 14 3HE TRP 14 0.511 -1.251 3.662
89 HZ2 TRP 14 2HZ TRP 14 0.535 -2.595 8.450
90 HZ3 TRP 14 3HZ TRP 14 -1.012 -0.228 5.276
91 HH2 TRP 14 2HH TRP 14 -0.992 -0.891 7.623
92 H CYS 15 HN CYS 15 1.871 -2.155 0.714
93 HA CYS 15 HA CYS 15 -0.708 -1.166 1.243
94 HB2 CYS 15 2HB CYS 15 1.399 -0.487 -0.698
95 HB3 CYS 15 1HB CYS 15 -0.103 0.430 -0.465
96 H ARG 16 HN ARG 16 0.509 -3.386 -0.979
97 HA ARG 16 HA ARG 16 -1.573 -3.116 -2.918
98 HB2 ARG 16 2HB ARG 16 0.534 -4.415 -3.320
99 HB3 ARG 16 1HB ARG 16 -0.050 -5.630 -2.194
100 HG2 ARG 16 2HG ARG 16 -1.990 -6.019 -3.676
101 HG3 ARG 16 1HG ARG 16 -1.302 -4.873 -4.826
102 HD2 ARG 16 2HD ARG 16 -0.046 -7.453 -3.893
103 HD3 ARG 16 1HD ARG 16 -0.780 -7.159 -5.467
104 HE ARG 16 HE ARG 16 1.449 -5.457 -4.703
105 HH11 ARG 16 1HH1 ARG 16 0.333 -8.217 -6.627
106 HH12 ARG 16 2HH1 ARG 16 1.710 -8.234 -7.632
107 HH21 ARG 16 1HH2 ARG 16 3.335 -5.535 -6.031
108 HH22 ARG 16 2HH2 ARG 16 3.466 -6.706 -7.268
109 H ASP 17 HN ASP 17 -1.299 -4.656 0.179
110 HA ASP 17 HA ASP 17 -3.878 -6.049 -0.166
111 HB2 ASP 17 2HB ASP 17 -1.766 -7.252 0.695
112 HB3 ASP 17 1HB ASP 17 -1.992 -6.317 2.152
113 H HIS 18 HN HIS 18 -2.162 -3.934 2.109
114 HA HIS 18 HA HIS 18 -4.587 -3.602 3.745
115 HB2 HIS 18 2HB HIS 18 -1.806 -2.645 4.426
116 HB3 HIS 18 1HB HIS 18 -3.130 -2.993 5.520
117 HD1 HIS 18 1HD HIS 18 -3.743 -5.910 5.016
118 HD2 HIS 18 2HD HIS 18 0.104 -4.416 4.853
119 HE1 HIS 18 1HE HIS 18 -2.220 -7.880 5.380
120 H ALA 19 HN ALA 19 -4.262 -2.319 1.232
121 HA ALA 19 HA ALA 19 -3.336 0.345 1.368
122 HB1 ALA 19 1HB ALA 19 -5.379 -0.845 -0.478
123 HB2 ALA 19 2HB ALA 19 -3.631 -0.865 -0.712
124 HB3 ALA 19 3HB ALA 19 -4.504 0.667 -0.718
125 H ARG 20 HN ARG 20 -4.278 1.939 2.615
126 HA ARG 20 HA ARG 20 -7.173 2.053 2.920
127 HB2 ARG 20 2HB ARG 20 -5.576 2.911 4.681
128 HB3 ARG 20 1HB ARG 20 -5.167 4.227 3.579
129 HG2 ARG 20 2HG ARG 20 -7.553 4.895 3.569
130 HG3 ARG 20 1HG ARG 20 -7.880 3.636 4.757
131 HD2 ARG 20 2HD ARG 20 -7.666 5.700 5.929
132 HD3 ARG 20 1HD ARG 20 -6.221 4.751 6.261
133 HE ARG 20 HE ARG 20 -5.701 6.339 4.065
134 HH11 ARG 20 1HH1 ARG 20 -6.311 6.727 7.528
135 HH12 ARG 20 2HH1 ARG 20 -5.577 8.242 7.690
136 HH21 ARG 20 1HH2 ARG 20 -4.654 8.519 4.255
137 HH22 ARG 20 2HH2 ARG 20 -4.592 9.276 5.771
138 H CYS 21 HN CYS 21 -4.626 3.541 1.074
139 HA CYS 21 HA CYS 21 -6.659 4.852 -0.587
140 HB2 CYS 21 2HB CYS 21 -3.850 5.872 -0.101
141 HB3 CYS 21 1HB CYS 21 -5.138 6.692 -0.974
142 H CYS 22 HN CYS 22 -3.113 4.245 -0.887
143 HA CYS 22 HA CYS 22 -3.671 3.136 -3.518
144 HB2 CYS 22 2HB CYS 22 -2.531 5.351 -3.472
145 HB3 CYS 22 1HB CYS 22 -1.231 4.623 -2.542
146 HN1 NH2 23 1H CYS 22 -3.449 1.012 -3.393
147 HN2 NH2 23 2H CYS 22 -2.284 0.144 -2.455
Start of MODEL 19
1 H1 ARG 1 1HT ARG 1 -1.212 3.152 8.287
2 H2 ARG 1 2HT ARG 1 -0.159 4.128 9.108
3 H3 ARG 1 3HT ARG 1 -0.360 2.533 9.609
4 HA ARG 1 HA ARG 1 1.712 2.876 8.370
5 HB2 ARG 1 2HB ARG 1 -0.412 1.205 7.023
6 HB3 ARG 1 1HB ARG 1 1.238 1.223 6.457
7 HG2 ARG 1 2HG ARG 1 0.546 0.537 9.304
8 HG3 ARG 1 1HG ARG 1 0.577 -0.665 8.020
9 HD2 ARG 1 2HD ARG 1 2.695 -0.664 9.232
10 HD3 ARG 1 1HD ARG 1 2.914 -0.131 7.568
11 HE ARG 1 HE ARG 1 2.626 1.945 9.573
12 HH11 ARG 1 1HH1 ARG 1 4.932 -0.061 7.765
13 HH12 ARG 1 2HH1 ARG 1 6.211 1.058 7.878
14 HH21 ARG 1 1HH2 ARG 1 4.412 3.513 9.677
15 HH22 ARG 1 2HH2 ARG 1 5.893 3.112 8.961
16 H GLY 2 HN GLY 2 2.324 2.789 5.780
17 HA2 GLY 2 2HA GLY 2 1.315 5.363 4.900
18 HA3 GLY 2 1HA GLY 2 2.860 4.653 4.519
19 H CYS 3 HN CYS 3 -0.479 3.770 4.197
20 HA CYS 3 HA CYS 3 0.176 2.853 1.483
21 HB2 CYS 3 2HB CYS 3 -2.144 1.954 3.175
22 HB3 CYS 3 1HB CYS 3 -1.639 1.306 1.626
23 H CYS 4 HN CYS 4 -0.746 5.338 2.771
24 HA CYS 4 HA CYS 4 -2.252 6.156 0.392
25 HB2 CYS 4 2HB CYS 4 -2.296 7.578 3.101
26 HB3 CYS 4 1HB CYS 4 -3.180 8.059 1.670
27 H ASN 5 HN ASN 5 0.048 6.942 2.887
28 HA ASN 5 HA ASN 5 2.049 7.847 1.092
29 HB2 ASN 5 2HB ASN 5 0.799 9.860 1.282
30 HB3 ASN 5 1HB ASN 5 0.645 9.687 3.014
31 HD21 ASN 5 1HD2 ASN 5 2.894 10.529 0.459
32 HD22 ASN 5 2HD2 ASN 5 4.074 11.245 1.481
33 H GLY 6 HN GLY 6 3.720 6.750 1.980
34 HA2 GLY 6 2HA GLY 6 5.052 7.413 4.188
35 HA3 GLY 6 1HA GLY 6 3.809 6.407 4.887
36 H ARG 7 HN ARG 7 3.803 4.349 2.724
37 HA ARG 7 HA ARG 7 6.274 3.208 3.549
38 HB2 ARG 7 2HB ARG 7 3.822 1.984 2.330
39 HB3 ARG 7 1HB ARG 7 5.344 1.108 2.344
40 HG2 ARG 7 2HG ARG 7 5.214 1.700 4.933
41 HG3 ARG 7 1HG ARG 7 3.492 1.824 4.546
42 HD2 ARG 7 2HD ARG 7 4.015 -0.468 5.310
43 HD3 ARG 7 1HD ARG 7 3.552 -0.479 3.619
44 HE ARG 7 HE ARG 7 6.273 -0.203 3.604
45 HH11 ARG 7 1HH1 ARG 7 4.184 -2.630 5.113
46 HH12 ARG 7 2HH1 ARG 7 5.193 -3.932 4.703
47 HH21 ARG 7 1HH2 ARG 7 7.710 -2.001 3.177
48 HH22 ARG 7 2HH2 ARG 7 7.240 -3.566 3.623
49 H GLY 8 HN GLY 8 7.353 1.790 1.762
50 HA2 GLY 8 2HA GLY 8 8.120 3.669 -0.261
51 HA3 GLY 8 1HA GLY 8 8.831 2.089 0.025
52 H GLY 9 HN GLY 9 5.937 3.642 -1.266
53 HA2 GLY 9 2HA GLY 9 5.299 3.298 -3.530
54 HA3 GLY 9 1HA GLY 9 6.051 1.712 -3.463
55 H CYS 10 HN CYS 10 3.420 2.434 -4.309
56 HA CYS 10 HA CYS 10 1.601 1.432 -2.292
57 HB2 CYS 10 2HB CYS 10 1.136 2.126 -5.195
58 HB3 CYS 10 1HB CYS 10 -0.107 1.854 -3.976
59 H SER 11 HN SER 11 3.617 0.239 -4.705
60 HA SER 11 HA SER 11 2.144 -2.167 -5.275
61 HB2 SER 11 2HB SER 11 3.647 -1.025 -6.952
62 HB3 SER 11 1HB SER 11 5.020 -1.447 -5.936
63 HG SER 11 HG SER 11 4.812 -2.907 -7.575
64 H SER 12 HN SER 12 3.849 -1.065 -2.652
65 HA SER 12 HA SER 12 5.305 -3.371 -1.876
66 HB2 SER 12 2HB SER 12 5.360 -0.917 -0.866
67 HB3 SER 12 1HB SER 12 3.951 -1.531 0.027
68 HG SER 12 HG SER 12 6.616 -2.327 0.168
69 H ARG 13 HN ARG 13 4.569 -4.907 -0.399
70 HA ARG 13 HA ARG 13 2.092 -5.984 -1.289
71 HB2 ARG 13 2HB ARG 13 3.857 -6.978 0.936
72 HB3 ARG 13 1HB ARG 13 2.500 -7.863 0.257
73 HG2 ARG 13 2HG ARG 13 4.981 -7.028 -1.240
74 HG3 ARG 13 1HG ARG 13 4.622 -8.653 -0.656
75 HD2 ARG 13 2HD ARG 13 2.662 -8.735 -2.119
76 HD3 ARG 13 1HD ARG 13 3.007 -7.103 -2.687
77 HE ARG 13 HE ARG 13 5.196 -8.881 -3.016
78 HH11 ARG 13 1HH1 ARG 13 2.118 -7.943 -4.491
79 HH12 ARG 13 2HH1 ARG 13 2.622 -8.273 -6.084
80 HH21 ARG 13 1HH2 ARG 13 5.855 -9.391 -5.206
81 HH22 ARG 13 2HH2 ARG 13 4.767 -9.148 -6.492
82 H TRP 14 HN TRP 14 2.979 -4.562 1.775
83 HA TRP 14 HA TRP 14 0.587 -5.058 3.212
84 HB2 TRP 14 2HB TRP 14 2.938 -3.938 3.860
85 HB3 TRP 14 1HB TRP 14 2.043 -2.468 3.525
86 HD1 TRP 14 1HD TRP 14 2.765 -4.899 6.147
87 HE1 TRP 14 1HE TRP 14 1.326 -4.513 8.247
88 HE3 TRP 14 3HE TRP 14 -0.605 -1.597 4.221
89 HZ2 TRP 14 2HZ TRP 14 -0.929 -2.992 8.990
90 HZ3 TRP 14 3HZ TRP 14 -2.363 -0.716 5.686
91 HH2 TRP 14 2HH TRP 14 -2.520 -1.398 8.024
92 H CYS 15 HN CYS 15 1.556 -2.353 1.206
93 HA CYS 15 HA CYS 15 -0.897 -0.998 1.572
94 HB2 CYS 15 2HB CYS 15 1.473 -0.564 -0.122
95 HB3 CYS 15 1HB CYS 15 0.113 0.560 0.053
96 H ARG 16 HN ARG 16 0.265 -3.283 -0.629
97 HA ARG 16 HA ARG 16 -1.643 -2.572 -2.682
98 HB2 ARG 16 2HB ARG 16 0.578 -3.842 -3.047
99 HB3 ARG 16 1HB ARG 16 -0.233 -5.240 -2.380
100 HG2 ARG 16 2HG ARG 16 -1.124 -3.775 -4.877
101 HG3 ARG 16 1HG ARG 16 -0.108 -5.207 -4.872
102 HD2 ARG 16 2HD ARG 16 -2.953 -5.012 -3.868
103 HD3 ARG 16 1HD ARG 16 -2.429 -5.787 -5.362
104 HE ARG 16 HE ARG 16 -1.011 -7.129 -3.599
105 HH11 ARG 16 1HH1 ARG 16 -4.437 -6.288 -3.527
106 HH12 ARG 16 2HH1 ARG 16 -4.912 -7.621 -2.577
107 HH21 ARG 16 1HH2 ARG 16 -1.637 -8.985 -2.309
108 HH22 ARG 16 2HH2 ARG 16 -3.269 -9.204 -1.864
109 H ASP 17 HN ASP 17 -1.385 -4.917 -0.055
110 HA ASP 17 HA ASP 17 -3.921 -6.130 -0.717
111 HB2 ASP 17 2HB ASP 17 -1.920 -7.310 0.417
112 HB3 ASP 17 1HB ASP 17 -2.453 -6.499 1.878
113 H HIS 18 HN HIS 18 -2.660 -4.171 1.948
114 HA HIS 18 HA HIS 18 -5.381 -3.820 2.982
115 HB2 HIS 18 2HB HIS 18 -2.821 -2.947 4.327
116 HB3 HIS 18 1HB HIS 18 -4.381 -3.248 5.064
117 HD1 HIS 18 1HD HIS 18 -4.783 -6.223 4.010
118 HD2 HIS 18 2HD HIS 18 -1.273 -4.677 5.578
119 HE1 HIS 18 1HE HIS 18 -3.490 -8.190 4.872
120 H ALA 19 HN ALA 19 -4.512 -2.538 0.647
121 HA ALA 19 HA ALA 19 -3.495 0.029 0.816
122 HB1 ALA 19 1HB ALA 19 -4.654 0.498 -1.244
123 HB2 ALA 19 2HB ALA 19 -5.668 -0.939 -1.036
124 HB3 ALA 19 3HB ALA 19 -3.922 -1.106 -1.289
125 H ARG 20 HN ARG 20 -4.199 1.664 1.980
126 HA ARG 20 HA ARG 20 -6.977 1.809 2.728
127 HB2 ARG 20 2HB ARG 20 -4.714 3.676 3.449
128 HB3 ARG 20 1HB ARG 20 -6.325 3.682 4.153
129 HG2 ARG 20 2HG ARG 20 -4.254 1.516 4.405
130 HG3 ARG 20 1HG ARG 20 -4.813 2.611 5.668
131 HD2 ARG 20 2HD ARG 20 -7.053 1.621 5.515
132 HD3 ARG 20 1HD ARG 20 -6.468 0.520 4.263
133 HE ARG 20 HE ARG 20 -5.126 0.556 6.814
134 HH11 ARG 20 1HH1 ARG 20 -7.318 -1.146 4.625
135 HH12 ARG 20 2HH1 ARG 20 -7.226 -2.634 5.432
136 HH21 ARG 20 1HH2 ARG 20 -4.996 -1.548 7.953
137 HH22 ARG 20 2HH2 ARG 20 -5.878 -2.858 7.339
138 H CYS 21 HN CYS 21 -4.625 3.463 0.740
139 HA CYS 21 HA CYS 21 -6.825 4.800 -0.675
140 HB2 CYS 21 2HB CYS 21 -4.179 6.155 -0.110
141 HB3 CYS 21 1HB CYS 21 -5.610 6.863 -0.832
142 H CYS 22 HN CYS 22 -3.322 4.054 -0.626
143 HA CYS 22 HA CYS 22 -3.437 3.434 -3.474
144 HB2 CYS 22 2HB CYS 22 -2.455 5.721 -2.967
145 HB3 CYS 22 1HB CYS 22 -1.209 4.903 -2.043
146 HN1 NH2 23 1H CYS 22 -3.229 1.266 -3.306
147 HN2 NH2 23 2H CYS 22 -2.069 0.424 -2.347
Start of MODEL 20
1 H1 ARG 1 1HT ARG 1 0.227 1.910 9.406
2 H2 ARG 1 2HT ARG 1 0.437 3.601 9.235
3 H3 ARG 1 3HT ARG 1 1.626 2.553 8.734
4 HA ARG 1 HA ARG 1 0.417 1.721 6.996
5 HB2 ARG 1 2HB ARG 1 -1.833 2.729 6.443
6 HB3 ARG 1 1HB ARG 1 -1.799 1.579 7.757
7 HG2 ARG 1 2HG ARG 1 -1.883 3.425 9.371
8 HG3 ARG 1 1HG ARG 1 -1.894 4.580 8.036
9 HD2 ARG 1 2HD ARG 1 -4.148 4.066 8.982
10 HD3 ARG 1 1HD ARG 1 -3.990 3.771 7.251
11 HE ARG 1 HE ARG 1 -3.430 1.450 8.798
12 HH11 ARG 1 1HH1 ARG 1 -6.177 3.405 7.715
13 HH12 ARG 1 2HH1 ARG 1 -7.181 2.052 7.438
14 HH21 ARG 1 1HH2 ARG 1 -4.853 -0.395 8.360
15 HH22 ARG 1 2HH2 ARG 1 -6.418 -0.093 7.770
16 H GLY 2 HN GLY 2 1.506 2.571 5.345
17 HA2 GLY 2 2HA GLY 2 1.292 5.465 5.020
18 HA3 GLY 2 1HA GLY 2 2.723 4.522 4.644
19 H CYS 3 HN CYS 3 -0.525 3.635 4.001
20 HA CYS 3 HA CYS 3 0.164 3.290 1.192
21 HB2 CYS 3 2HB CYS 3 -2.377 2.513 2.636
22 HB3 CYS 3 1HB CYS 3 -1.912 2.060 1.001
23 H CYS 4 HN CYS 4 -0.902 5.684 2.978
24 HA CYS 4 HA CYS 4 -2.139 6.932 0.636
25 HB2 CYS 4 2HB CYS 4 -2.433 7.775 3.540
26 HB3 CYS 4 1HB CYS 4 -3.263 8.480 2.158
27 H ASN 5 HN ASN 5 0.309 6.928 3.051
28 HA ASN 5 HA ASN 5 2.224 8.369 1.615
29 HB2 ASN 5 2HB ASN 5 0.665 10.213 2.316
30 HB3 ASN 5 1HB ASN 5 1.023 9.812 3.978
31 HD21 ASN 5 1HD2 ASN 5 1.486 12.298 2.575
32 HD22 ASN 5 2HD2 ASN 5 3.170 12.627 2.720
33 H GLY 6 HN GLY 6 3.911 7.048 2.313
34 HA2 GLY 6 2HA GLY 6 5.312 7.254 4.501
35 HA3 GLY 6 1HA GLY 6 3.965 6.354 5.169
36 H ARG 7 HN ARG 7 3.574 4.569 2.983
37 HA ARG 7 HA ARG 7 5.734 2.785 3.647
38 HB2 ARG 7 2HB ARG 7 3.481 1.969 3.869
39 HB3 ARG 7 1HB ARG 7 3.119 2.336 2.192
40 HG2 ARG 7 2HG ARG 7 3.380 -0.048 2.504
41 HG3 ARG 7 1HG ARG 7 4.692 0.562 1.506
42 HD2 ARG 7 2HD ARG 7 5.414 -1.109 3.186
43 HD3 ARG 7 1HD ARG 7 6.223 0.448 3.380
44 HE ARG 7 HE ARG 7 4.195 0.626 5.122
45 HH11 ARG 7 1HH1 ARG 7 6.328 -2.117 4.513
46 HH12 ARG 7 2HH1 ARG 7 6.547 -2.502 6.149
47 HH21 ARG 7 1HH2 ARG 7 4.448 0.052 7.401
48 HH22 ARG 7 2HH2 ARG 7 5.394 -1.292 7.820
49 H GLY 8 HN GLY 8 7.083 1.897 2.074
50 HA2 GLY 8 2HA GLY 8 7.674 3.637 -0.106
51 HA3 GLY 8 1HA GLY 8 8.530 2.165 0.314
52 H GLY 9 HN GLY 9 5.749 3.457 -1.343
53 HA2 GLY 9 2HA GLY 9 5.458 2.847 -3.635
54 HA3 GLY 9 1HA GLY 9 5.990 1.219 -3.226
55 H CYS 10 HN CYS 10 3.532 2.402 -4.449
56 HA CYS 10 HA CYS 10 1.394 1.887 -2.634
57 HB2 CYS 10 2HB CYS 10 1.443 2.140 -5.635
58 HB3 CYS 10 1HB CYS 10 -0.025 1.904 -4.703
59 H SER 11 HN SER 11 3.190 0.013 -4.864
60 HA SER 11 HA SER 11 1.220 -2.127 -4.731
61 HB2 SER 11 2HB SER 11 2.208 -1.189 -6.935
62 HB3 SER 11 1HB SER 11 3.649 -2.106 -6.508
63 HG SER 11 HG SER 11 2.650 -3.920 -6.919
64 H SER 12 HN SER 12 3.406 -1.297 -2.623
65 HA SER 12 HA SER 12 5.143 -3.481 -2.419
66 HB2 SER 12 2HB SER 12 5.319 -2.581 -0.095
67 HB3 SER 12 1HB SER 12 5.605 -1.352 -1.332
68 HG SER 12 HG SER 12 3.894 -0.316 -0.676
69 H ARG 13 HN ARG 13 4.814 -5.259 -0.890
70 HA ARG 13 HA ARG 13 2.338 -6.522 -1.150
71 HB2 ARG 13 2HB ARG 13 4.446 -7.059 0.929
72 HB3 ARG 13 1HB ARG 13 3.139 -8.151 0.499
73 HG2 ARG 13 2HG ARG 13 4.039 -8.285 -1.791
74 HG3 ARG 13 1HG ARG 13 5.382 -7.255 -1.296
75 HD2 ARG 13 2HD ARG 13 6.040 -9.575 -1.249
76 HD3 ARG 13 1HD ARG 13 6.019 -8.924 0.389
77 HE ARG 13 HE ARG 13 3.804 -10.491 -0.732
78 HH11 ARG 13 1HH1 ARG 13 6.043 -9.849 1.950
79 HH12 ARG 13 2HH1 ARG 13 5.453 -11.123 2.915
80 HH21 ARG 13 1HH2 ARG 13 2.973 -12.144 0.622
81 HH22 ARG 13 2HH2 ARG 13 3.621 -12.412 2.191
82 H TRP 14 HN TRP 14 3.390 -4.383 1.343
83 HA TRP 14 HA TRP 14 1.284 -4.892 3.243
84 HB2 TRP 14 2HB TRP 14 3.617 -3.576 3.409
85 HB3 TRP 14 1HB TRP 14 2.601 -2.222 2.943
86 HD1 TRP 14 1HD TRP 14 3.681 -4.236 5.829
87 HE1 TRP 14 1HE TRP 14 2.446 -3.505 7.983
88 HE3 TRP 14 3HE TRP 14 0.102 -1.253 3.759
89 HZ2 TRP 14 2HZ TRP 14 0.262 -1.896 8.690
90 HZ3 TRP 14 3HZ TRP 14 -1.516 -0.161 5.242
91 HH2 TRP 14 2HH TRP 14 -1.431 -0.482 7.662
92 H CYS 15 HN CYS 15 1.778 -2.197 1.025
93 HA CYS 15 HA CYS 15 -0.823 -1.242 1.405
94 HB2 CYS 15 2HB CYS 15 1.410 -0.635 -0.413
95 HB3 CYS 15 1HB CYS 15 -0.138 0.190 -0.549
96 H ARG 16 HN ARG 16 0.516 -3.487 -0.749
97 HA ARG 16 HA ARG 16 -1.437 -3.400 -2.783
98 HB2 ARG 16 2HB ARG 16 0.749 -4.645 -2.802
99 HB3 ARG 16 1HB ARG 16 0.015 -5.820 -1.729
100 HG2 ARG 16 2HG ARG 16 -1.656 -6.308 -3.478
101 HG3 ARG 16 1HG ARG 16 -0.799 -5.197 -4.554
102 HD2 ARG 16 2HD ARG 16 0.292 -7.703 -3.292
103 HD3 ARG 16 1HD ARG 16 -0.064 -7.447 -4.999
104 HE ARG 16 HE ARG 16 1.722 -5.505 -4.465
105 HH11 ARG 16 1HH1 ARG 16 1.784 -8.999 -3.901
106 HH12 ARG 16 2HH1 ARG 16 3.463 -9.136 -4.016
107 HH21 ARG 16 1HH2 ARG 16 4.004 -5.669 -4.582
108 HH22 ARG 16 2HH2 ARG 16 4.795 -7.174 -4.403
109 H ASP 17 HN ASP 17 -1.211 -5.059 0.295
110 HA ASP 17 HA ASP 17 -3.771 -6.397 -0.087
111 HB2 ASP 17 2HB ASP 17 -1.678 -7.387 1.140
112 HB3 ASP 17 1HB ASP 17 -2.193 -6.364 2.454
113 H HIS 18 HN HIS 18 -2.337 -3.873 1.887
114 HA HIS 18 HA HIS 18 -4.861 -3.447 3.327
115 HB2 HIS 18 2HB HIS 18 -2.126 -2.376 4.026
116 HB3 HIS 18 1HB HIS 18 -3.538 -2.447 5.057
117 HD1 HIS 18 1HD HIS 18 -4.116 -5.558 4.547
118 HD2 HIS 18 2HD HIS 18 -0.462 -3.885 5.495
119 HE1 HIS 18 1HE HIS 18 -2.784 -7.402 5.615
120 H ALA 19 HN ALA 19 -4.413 -2.430 0.658
121 HA ALA 19 HA ALA 19 -3.553 0.244 0.547
122 HB1 ALA 19 1HB ALA 19 -5.632 -1.008 -1.228
123 HB2 ALA 19 2HB ALA 19 -3.884 -1.153 -1.443
124 HB3 ALA 19 3HB ALA 19 -4.660 0.427 -1.567
125 H ARG 20 HN ARG 20 -4.391 1.507 2.168
126 HA ARG 20 HA ARG 20 -7.218 1.878 2.411
127 HB2 ARG 20 2HB ARG 20 -5.687 2.319 4.327
128 HB3 ARG 20 1HB ARG 20 -4.987 3.663 3.441
129 HG2 ARG 20 2HG ARG 20 -6.569 4.462 5.112
130 HG3 ARG 20 1HG ARG 20 -7.147 4.824 3.485
131 HD2 ARG 20 2HD ARG 20 -8.613 2.834 3.589
132 HD3 ARG 20 1HD ARG 20 -8.058 2.532 5.233
133 HE ARG 20 HE ARG 20 -9.020 5.120 5.150
134 HH11 ARG 20 1HH1 ARG 20 -10.309 1.851 4.743
135 HH12 ARG 20 2HH1 ARG 20 -11.878 2.223 5.234
136 HH21 ARG 20 1HH2 ARG 20 -11.217 5.652 5.869
137 HH22 ARG 20 2HH2 ARG 20 -12.426 4.457 5.907
138 H CYS 21 HN CYS 21 -4.619 3.454 0.673
139 HA CYS 21 HA CYS 21 -6.649 4.990 -0.795
140 HB2 CYS 21 2HB CYS 21 -3.904 6.022 -0.026
141 HB3 CYS 21 1HB CYS 21 -5.110 6.903 -0.951
142 H CYS 22 HN CYS 22 -3.114 4.432 -0.979
143 HA CYS 22 HA CYS 22 -3.491 3.277 -3.625
144 HB2 CYS 22 2HB CYS 22 -2.695 5.665 -3.762
145 HB3 CYS 22 1HB CYS 22 -1.302 5.230 -2.796
146 HN1 NH2 23 1H CYS 22 -0.533 3.903 -1.741
147 HN2 NH2 23 2H CYS 22 -0.212 2.247 -1.393