Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
572347 | 2m79 RC | 19177 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -10.462 -0.529 1.616
2 HA2 GLY 1 2HA GLY 1 -11.060 -2.766 2.128
3 HA3 GLY 1 1HA GLY 1 -12.624 -2.491 1.372
4 H ASP 2 H ASP 2 -10.554 -1.126 -0.670
5 HA ASP 2 HA ASP 2 -10.425 -3.448 -2.425
6 HB2 ASP 2 2HB ASP 2 -11.354 -1.332 -3.296
7 HB3 ASP 2 1HB ASP 2 -9.874 -0.498 -2.860
8 H CYS 3 H CYS 3 -8.611 -4.612 -2.162
9 HA CYS 3 HA CYS 3 -6.309 -3.206 -1.135
10 HB2 CYS 3 2HB CYS 3 -6.754 -6.152 -1.333
11 HB3 CYS 3 1HB CYS 3 -5.358 -5.386 -0.606
12 H ARG 4 H ARG 4 -4.603 -2.889 -2.098
13 HA ARG 4 HA ARG 4 -4.025 -4.207 -4.689
14 HB2 ARG 4 2HB ARG 4 -3.713 -1.225 -4.181
15 HB3 ARG 4 1HB ARG 4 -3.286 -2.063 -5.667
16 HG2 ARG 4 2HG ARG 4 -6.072 -1.827 -4.543
17 HG3 ARG 4 1HG ARG 4 -5.411 -0.838 -5.843
18 HD2 ARG 4 2HD ARG 4 -5.322 -2.662 -7.323
19 HD3 ARG 4 1HD ARG 4 -5.474 -3.839 -6.021
20 HE ARG 4 HE ARG 4 -7.741 -2.295 -5.939
21 HH11 ARG 4 1HH1 ARG 4 -6.236 -4.383 -8.370
22 HH12 ARG 4 2HH1 ARG 4 -7.698 -5.039 -8.921
23 HH21 ARG 4 1HH2 ARG 4 -9.712 -3.217 -6.637
24 HH22 ARG 4 2HH2 ARG 4 -9.764 -4.356 -7.915
25 H CYS 5 H CYS 5 -1.882 -4.715 -4.990
26 HA CYS 5 HA CYS 5 -0.225 -4.076 -2.700
27 HB2 CYS 5 2HB CYS 5 0.226 -6.231 -4.723
28 HB3 CYS 5 1HB CYS 5 1.159 -5.959 -3.269
29 H LEU 6 H LEU 6 1.486 -3.010 -2.781
30 HA LEU 6 HA LEU 6 2.505 -2.123 -5.403
31 HB2 LEU 6 2HB LEU 6 1.882 -0.293 -3.073
32 HB3 LEU 6 1HB LEU 6 2.584 0.189 -4.601
33 HG LEU 6 HG LEU 6 -0.227 -0.872 -4.250
34 HD11 LEU 6 1HD1 LEU 6 -0.940 1.418 -4.675
35 HD12 LEU 6 2HD1 LEU 6 0.741 1.942 -4.705
36 HD13 LEU 6 3HD1 LEU 6 0.039 1.308 -3.211
37 HD21 LEU 6 3HD2 LEU 6 1.129 0.363 -6.645
38 HD22 LEU 6 1HD2 LEU 6 -0.566 -0.109 -6.549
39 HD23 LEU 6 2HD2 LEU 6 0.694 -1.340 -6.468
40 H CYS 7 H CYS 7 4.734 -1.247 -5.191
41 HA CYS 7 HA CYS 7 5.898 -2.099 -2.676
42 HB2 CYS 7 2HB CYS 7 7.267 -2.105 -5.389
43 HB3 CYS 7 1HB CYS 7 8.024 -2.565 -3.867
44 H ARG 8 H ARG 8 6.887 -0.664 -1.519
45 HA ARG 8 HA ARG 8 7.311 1.963 -2.733
46 HB2 ARG 8 2HB ARG 8 5.519 1.974 -1.082
47 HB3 ARG 8 1HB ARG 8 6.575 1.233 0.107
48 HG2 ARG 8 2HG ARG 8 6.351 3.579 0.593
49 HG3 ARG 8 1HG ARG 8 7.999 3.259 0.058
50 HD2 ARG 8 2HD ARG 8 7.345 4.017 -2.217
51 HD3 ARG 8 1HD ARG 8 5.762 4.448 -1.563
52 HE ARG 8 HE ARG 8 7.786 5.644 -0.043
53 HH11 ARG 8 1HH1 ARG 8 6.139 5.958 -3.151
54 HH12 ARG 8 2HH1 ARG 8 6.566 7.597 -3.363
55 HH21 ARG 8 1HH2 ARG 8 8.327 7.910 -0.331
56 HH22 ARG 8 2HH2 ARG 8 7.786 8.726 -1.729
57 H ARG 9 H ARG 9 9.395 1.876 -3.268
58 HA ARG 9 HA ARG 9 11.623 2.177 -3.076
59 HB2 ARG 9 2HB ARG 9 11.014 2.449 -0.155
60 HB3 ARG 9 1HB ARG 9 12.556 2.882 -0.887
61 HG2 ARG 9 2HG ARG 9 9.893 4.179 -1.501
62 HG3 ARG 9 1HG ARG 9 11.152 4.865 -0.477
63 HD2 ARG 9 2HD ARG 9 11.448 4.210 -3.418
64 HD3 ARG 9 1HD ARG 9 11.158 5.812 -2.746
65 HE ARG 9 HE ARG 9 13.298 5.417 -1.497
66 HH11 ARG 9 1HH1 ARG 9 12.728 4.161 -4.777
67 HH12 ARG 9 2HH1 ARG 9 14.374 4.127 -5.197
68 HH21 ARG 9 1HH2 ARG 9 15.561 5.383 -2.105
69 HH22 ARG 9 2HH2 ARG 9 16.046 4.817 -3.627
70 H GLY 10 H GLY 10 10.366 -0.466 -2.684
71 HA2 GLY 10 2HA GLY 10 11.855 -2.425 -2.928
72 HA3 GLY 10 1HA GLY 10 12.726 -1.822 -1.524
73 H ASP 11 H ASP 11 10.020 -1.054 -0.360
74 HA ASP 11 HA ASP 11 9.573 -3.660 0.860
75 HB2 ASP 11 2HB ASP 11 9.781 -1.727 2.371
76 HB3 ASP 11 1HB ASP 11 8.418 -0.956 1.556
77 H CYS 12 H CYS 12 8.274 -4.900 -0.290
78 HA CYS 12 HA CYS 12 6.010 -3.689 -1.584
79 HB2 CYS 12 2HB CYS 12 6.744 -6.553 -1.410
80 HB3 CYS 12 1HB CYS 12 5.501 -5.872 -2.427
81 H ARG 13 H ARG 13 4.222 -3.579 -0.955
82 HA ARG 13 HA ARG 13 3.342 -4.958 1.492
83 HB2 ARG 13 2HB ARG 13 4.541 -2.744 1.976
84 HB3 ARG 13 1HB ARG 13 3.180 -1.963 1.200
85 HG2 ARG 13 2HG ARG 13 2.895 -1.886 3.576
86 HG3 ARG 13 1HG ARG 13 1.685 -2.969 2.886
87 HD2 ARG 13 2HD ARG 13 2.724 -3.863 4.952
88 HD3 ARG 13 1HD ARG 13 2.960 -4.905 3.556
89 HE ARG 13 HE ARG 13 5.198 -3.396 3.559
90 HH11 ARG 13 1HH1 ARG 13 3.653 -5.254 6.184
91 HH12 ARG 13 2HH1 ARG 13 5.144 -5.677 6.898
92 HH21 ARG 13 1HH2 ARG 13 7.201 -4.015 4.579
93 HH22 ARG 13 2HH2 ARG 13 7.162 -4.976 5.989
94 H CYS 14 H CYS 14 1.032 -5.003 1.645
95 HA CYS 14 HA CYS 14 -0.201 -4.043 -0.773
96 HB2 CYS 14 2HB CYS 14 -1.171 -6.221 1.082
97 HB3 CYS 14 1HB CYS 14 -2.011 -5.695 -0.376
98 H ILE 15 H ILE 15 -1.454 -2.381 -0.697
99 HA ILE 15 HA ILE 15 -2.265 -1.444 1.936
100 HB ILE 15 HB ILE 15 -0.772 0.089 0.734
101 HG12 ILE 15 2HG1 ILE 15 -2.207 2.151 0.693
102 HG13 ILE 15 1HG1 ILE 15 -3.611 1.115 0.892
103 HG21 ILE 15 1HG2 ILE 15 -1.197 -0.528 -1.546
104 HG22 ILE 15 2HG2 ILE 15 -1.446 1.205 -1.349
105 HG23 ILE 15 3HG2 ILE 15 -2.834 0.121 -1.459
106 HD11 ILE 15 3HD1 ILE 15 -2.759 0.365 3.048
107 HD12 ILE 15 1HD1 ILE 15 -2.934 2.118 2.997
108 HD13 ILE 15 2HD1 ILE 15 -1.336 1.383 2.842
109 H CYS 16 H CYS 16 -4.385 -1.098 2.336
110 HA CYS 16 HA CYS 16 -6.146 -1.785 0.146
111 HB2 CYS 16 2HB CYS 16 -6.648 -2.143 3.104
112 HB3 CYS 16 1HB CYS 16 -7.769 -2.579 1.820
113 H THR 17 H THR 17 -7.528 -0.355 -0.524
114 HA THR 17 HA THR 17 -7.955 2.039 1.158
115 HB THR 17 HB THR 17 -8.221 1.998 -1.797
116 HG1 THR 17 1HG THR 17 -6.114 1.640 -1.822
117 HG21 THR 17 3HG2 THR 17 -7.706 4.413 -1.567
118 HG22 THR 17 1HG2 THR 17 -7.568 4.194 0.175
119 HG23 THR 17 2HG2 THR 17 -9.114 3.929 -0.626
120 H ARG 18 H ARG 18 -9.978 2.150 1.757
121 HA ARG 18 HA ARG 18 -12.236 1.882 1.981
122 HB2 ARG 18 2HB ARG 18 -12.133 1.802 -1.022
123 HB3 ARG 18 1HB ARG 18 -13.581 2.054 -0.052
124 HG2 ARG 18 2HG ARG 18 -12.742 4.150 0.765
125 HG3 ARG 18 1HG ARG 18 -11.193 3.883 -0.038
126 HD2 ARG 18 2HD ARG 18 -12.296 3.945 -2.204
127 HD3 ARG 18 1HD ARG 18 -13.858 4.185 -1.423
128 HE ARG 18 HE ARG 18 -12.396 6.204 -0.456
129 HH11 ARG 18 1HH1 ARG 18 -12.968 5.121 -3.783
130 HH12 ARG 18 2HH1 ARG 18 -12.868 6.673 -4.458
131 HH21 ARG 18 1HH2 ARG 18 -12.258 8.343 -1.398
132 HH22 ARG 18 2HH2 ARG 18 -12.434 8.545 -3.070
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -11.396 -1.164 1.228
2 HA2 GLY 1 2HA GLY 1 -11.974 -3.489 1.274
3 HA3 GLY 1 1HA GLY 1 -13.283 -3.139 0.146
4 H ASP 2 H ASP 2 -10.966 -1.431 -1.167
5 HA ASP 2 HA ASP 2 -10.204 -3.581 -2.980
6 HB2 ASP 2 2HB ASP 2 -11.072 -1.456 -3.956
7 HB3 ASP 2 1HB ASP 2 -9.757 -0.591 -3.168
8 H CYS 3 H CYS 3 -8.421 -4.622 -2.382
9 HA CYS 3 HA CYS 3 -6.487 -3.053 -0.980
10 HB2 CYS 3 2HB CYS 3 -6.574 -6.030 -1.388
11 HB3 CYS 3 1HB CYS 3 -5.357 -5.165 -0.471
12 H ARG 4 H ARG 4 -4.645 -2.606 -1.669
13 HA ARG 4 HA ARG 4 -3.863 -3.569 -4.306
14 HB2 ARG 4 2HB ARG 4 -3.221 -1.234 -4.937
15 HB3 ARG 4 1HB ARG 4 -4.954 -1.491 -4.793
16 HG2 ARG 4 2HG ARG 4 -4.789 -0.482 -2.492
17 HG3 ARG 4 1HG ARG 4 -3.120 -0.057 -2.887
18 HD2 ARG 4 2HD ARG 4 -4.591 1.831 -3.308
19 HD3 ARG 4 1HD ARG 4 -3.922 1.231 -4.825
20 HE ARG 4 HE ARG 4 -6.339 -0.074 -4.464
21 HH11 ARG 4 1HH1 ARG 4 -5.359 3.324 -4.842
22 HH12 ARG 4 2HH1 ARG 4 -6.783 3.778 -5.644
23 HH21 ARG 4 1HH2 ARG 4 -8.186 0.497 -5.500
24 HH22 ARG 4 2HH2 ARG 4 -8.500 2.094 -6.052
25 H CYS 5 H CYS 5 -1.793 -4.069 -4.455
26 HA CYS 5 HA CYS 5 -0.216 -3.382 -2.139
27 HB2 CYS 5 2HB CYS 5 0.267 -5.590 -4.107
28 HB3 CYS 5 1HB CYS 5 1.225 -5.277 -2.674
29 H LEU 6 H LEU 6 1.515 -2.292 -2.266
30 HA LEU 6 HA LEU 6 2.406 -1.500 -4.942
31 HB2 LEU 6 2HB LEU 6 2.833 0.771 -4.237
32 HB3 LEU 6 1HB LEU 6 1.157 0.382 -3.945
33 HG LEU 6 HG LEU 6 3.255 0.417 -1.756
34 HD11 LEU 6 1HD1 LEU 6 3.090 2.624 -2.782
35 HD12 LEU 6 2HD1 LEU 6 2.377 2.624 -1.170
36 HD13 LEU 6 3HD1 LEU 6 1.337 2.596 -2.595
37 HD21 LEU 6 3HD2 LEU 6 0.235 0.514 -1.680
38 HD22 LEU 6 1HD2 LEU 6 1.299 0.649 -0.279
39 HD23 LEU 6 2HD2 LEU 6 1.244 -0.851 -1.199
40 H CYS 7 H CYS 7 4.593 -1.197 -5.216
41 HA CYS 7 HA CYS 7 6.087 -2.130 -2.947
42 HB2 CYS 7 2HB CYS 7 6.793 -2.377 -5.887
43 HB3 CYS 7 1HB CYS 7 7.848 -2.860 -4.569
44 H ARG 8 H ARG 8 7.616 -0.819 -2.126
45 HA ARG 8 HA ARG 8 8.341 1.590 -3.614
46 HB2 ARG 8 2HB ARG 8 6.307 1.886 -2.074
47 HB3 ARG 8 1HB ARG 8 7.418 1.611 -0.747
48 HG2 ARG 8 2HG ARG 8 7.120 3.954 -0.999
49 HG3 ARG 8 1HG ARG 8 8.748 3.555 -1.565
50 HD2 ARG 8 2HD ARG 8 7.965 3.584 -3.872
51 HD3 ARG 8 1HD ARG 8 6.327 3.911 -3.314
52 HE ARG 8 HE ARG 8 8.269 5.818 -2.449
53 HH11 ARG 8 1HH1 ARG 8 6.109 4.895 -5.109
54 HH12 ARG 8 2HH1 ARG 8 5.948 6.466 -5.723
55 HH21 ARG 8 1HH2 ARG 8 8.089 8.010 -3.335
56 HH22 ARG 8 2HH2 ARG 8 7.113 8.259 -4.707
57 H ARG 9 H ARG 9 10.533 1.700 -3.481
58 HA ARG 9 HA ARG 9 12.669 1.689 -2.675
59 HB2 ARG 9 2HB ARG 9 11.265 1.429 -0.052
60 HB3 ARG 9 1HB ARG 9 13.004 1.603 -0.182
61 HG2 ARG 9 2HG ARG 9 12.688 3.768 -1.271
62 HG3 ARG 9 1HG ARG 9 10.938 3.569 -1.120
63 HD2 ARG 9 2HD ARG 9 11.886 5.002 0.646
64 HD3 ARG 9 1HD ARG 9 11.110 3.554 1.292
65 HE ARG 9 HE ARG 9 13.776 2.932 0.955
66 HH11 ARG 9 1HH1 ARG 9 11.955 5.282 2.886
67 HH12 ARG 9 2HH1 ARG 9 13.094 5.288 4.154
68 HH21 ARG 9 1HH2 ARG 9 15.262 2.932 2.697
69 HH22 ARG 9 2HH2 ARG 9 14.992 3.927 4.059
70 H GLY 10 H GLY 10 11.136 -0.823 -3.235
71 HA2 GLY 10 2HA GLY 10 12.088 -2.968 -3.552
72 HA3 GLY 10 1HA GLY 10 13.216 -2.629 -2.247
73 H ASP 11 H ASP 11 10.509 -1.581 -0.982
74 HA ASP 11 HA ASP 11 9.924 -4.126 0.330
75 HB2 ASP 11 2HB ASP 11 10.569 -2.340 1.843
76 HB3 ASP 11 1HB ASP 11 9.400 -1.249 1.111
77 H CYS 12 H CYS 12 8.137 -5.154 -0.358
78 HA CYS 12 HA CYS 12 6.103 -3.516 -1.609
79 HB2 CYS 12 2HB CYS 12 6.286 -6.496 -1.521
80 HB3 CYS 12 1HB CYS 12 5.088 -5.568 -2.388
81 H ARG 13 H ARG 13 4.352 -3.174 -0.868
82 HA ARG 13 HA ARG 13 3.542 -4.482 1.641
83 HB2 ARG 13 2HB ARG 13 5.027 -2.506 2.093
84 HB3 ARG 13 1HB ARG 13 3.781 -1.490 1.394
85 HG2 ARG 13 2HG ARG 13 2.342 -1.815 3.179
86 HG3 ARG 13 1HG ARG 13 3.170 -3.286 3.704
87 HD2 ARG 13 2HD ARG 13 4.276 -0.480 3.828
88 HD3 ARG 13 1HD ARG 13 3.713 -1.453 5.195
89 HE ARG 13 HE ARG 13 6.046 -2.171 3.511
90 HH11 ARG 13 1HH1 ARG 13 4.627 -1.859 6.745
91 HH12 ARG 13 2HH1 ARG 13 5.857 -2.775 7.488
92 HH21 ARG 13 1HH2 ARG 13 7.687 -3.419 4.513
93 HH22 ARG 13 2HH2 ARG 13 7.618 -3.712 6.192
94 H CYS 14 H CYS 14 1.268 -4.192 2.161
95 HA CYS 14 HA CYS 14 -0.135 -3.337 -0.219
96 HB2 CYS 14 2HB CYS 14 -0.981 -5.484 1.728
97 HB3 CYS 14 1HB CYS 14 -1.873 -4.994 0.293
98 H ILE 15 H ILE 15 -1.925 -2.118 -0.074
99 HA ILE 15 HA ILE 15 -2.735 -1.258 2.612
100 HB ILE 15 HB ILE 15 -1.420 0.577 1.626
101 HG12 ILE 15 2HG1 ILE 15 -4.393 1.178 1.545
102 HG13 ILE 15 1HG1 ILE 15 -3.367 1.239 2.971
103 HG21 ILE 15 1HG2 ILE 15 -1.606 -0.015 -0.714
104 HG22 ILE 15 2HG2 ILE 15 -2.049 1.674 -0.448
105 HG23 ILE 15 3HG2 ILE 15 -3.308 0.466 -0.714
106 HD11 ILE 15 3HD1 ILE 15 -2.123 3.097 1.976
107 HD12 ILE 15 1HD1 ILE 15 -3.841 3.463 2.128
108 HD13 ILE 15 2HD1 ILE 15 -3.166 3.027 0.558
109 H CYS 16 H CYS 16 -4.963 -0.996 2.850
110 HA CYS 16 HA CYS 16 -6.450 -1.772 0.487
111 HB2 CYS 16 2HB CYS 16 -7.129 -2.405 3.365
112 HB3 CYS 16 1HB CYS 16 -8.170 -2.774 1.997
113 H THR 17 H THR 17 -8.148 -0.536 -0.115
114 HA THR 17 HA THR 17 -9.066 1.519 1.757
115 HB THR 17 HB THR 17 -8.484 2.087 -1.103
116 HG1 THR 17 1HG THR 17 -6.813 1.984 1.115
117 HG21 THR 17 3HG2 THR 17 -8.905 3.901 1.276
118 HG22 THR 17 1HG2 THR 17 -10.050 3.613 -0.032
119 HG23 THR 17 2HG2 THR 17 -8.538 4.453 -0.356
120 H ARG 18 H ARG 18 -11.131 1.431 1.809
121 HA ARG 18 HA ARG 18 -13.338 0.996 1.466
122 HB2 ARG 18 2HB ARG 18 -12.635 1.466 -1.400
123 HB3 ARG 18 1HB ARG 18 -14.265 1.464 -0.724
124 HG2 ARG 18 2HG ARG 18 -12.074 3.436 -0.093
125 HG3 ARG 18 1HG ARG 18 -13.527 3.741 -1.054
126 HD2 ARG 18 2HD ARG 18 -14.919 3.358 0.886
127 HD3 ARG 18 1HD ARG 18 -13.509 2.937 1.849
128 HE ARG 18 HE ARG 18 -13.314 5.511 0.671
129 HH11 ARG 18 1HH1 ARG 18 -14.697 3.756 3.400
130 HH12 ARG 18 2HH1 ARG 18 -14.675 5.101 4.454
131 HH21 ARG 18 1HH2 ARG 18 -13.279 7.333 2.105
132 HH22 ARG 18 2HH2 ARG 18 -13.820 7.177 3.701
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -12.089 -0.909 -0.040
2 HA2 GLY 1 2HA GLY 1 -12.016 -3.473 1.310
3 HA3 GLY 1 1HA GLY 1 -13.399 -3.346 0.236
4 H ASP 2 H ASP 2 -11.093 -1.488 -1.284
5 HA ASP 2 HA ASP 2 -10.382 -3.637 -3.071
6 HB2 ASP 2 2HB ASP 2 -9.970 -0.633 -3.199
7 HB3 ASP 2 1HB ASP 2 -9.465 -1.760 -4.444
8 H CYS 3 H CYS 3 -8.548 -4.664 -2.502
9 HA CYS 3 HA CYS 3 -6.576 -3.050 -1.147
10 HB2 CYS 3 2HB CYS 3 -6.736 -6.031 -1.406
11 HB3 CYS 3 1HB CYS 3 -5.411 -5.187 -0.634
12 H ARG 4 H ARG 4 -4.707 -2.649 -1.896
13 HA ARG 4 HA ARG 4 -3.910 -3.780 -4.496
14 HB2 ARG 4 2HB ARG 4 -5.051 -1.606 -4.888
15 HB3 ARG 4 1HB ARG 4 -3.904 -0.832 -3.820
16 HG2 ARG 4 2HG ARG 4 -2.103 -1.230 -5.340
17 HG3 ARG 4 1HG ARG 4 -3.132 -2.254 -6.351
18 HD2 ARG 4 2HD ARG 4 -3.562 0.687 -5.835
19 HD3 ARG 4 1HD ARG 4 -2.854 -0.006 -7.297
20 HE ARG 4 HE ARG 4 -5.199 -1.301 -7.064
21 HH11 ARG 4 1HH1 ARG 4 -4.371 2.142 -7.199
22 HH12 ARG 4 2HH1 ARG 4 -5.816 2.623 -7.949
23 HH21 ARG 4 1HH2 ARG 4 -7.216 -0.633 -8.090
24 HH22 ARG 4 2HH2 ARG 4 -7.466 0.992 -8.499
25 H CYS 5 H CYS 5 -1.701 -4.127 -4.674
26 HA CYS 5 HA CYS 5 -0.237 -3.306 -2.317
27 HB2 CYS 5 2HB CYS 5 0.302 -5.660 -4.097
28 HB3 CYS 5 1HB CYS 5 1.220 -5.225 -2.664
29 H LEU 6 H LEU 6 1.672 -2.362 -2.437
30 HA LEU 6 HA LEU 6 2.664 -1.689 -5.118
31 HB2 LEU 6 2HB LEU 6 1.232 0.156 -4.297
32 HB3 LEU 6 1HB LEU 6 2.227 0.276 -2.863
33 HG LEU 6 HG LEU 6 4.153 0.911 -4.297
34 HD11 LEU 6 1HD1 LEU 6 3.733 1.590 -6.612
35 HD12 LEU 6 2HD1 LEU 6 2.093 0.952 -6.491
36 HD13 LEU 6 3HD1 LEU 6 3.473 -0.134 -6.363
37 HD21 LEU 6 3HD2 LEU 6 3.364 3.183 -4.777
38 HD22 LEU 6 1HD2 LEU 6 2.812 2.624 -3.198
39 HD23 LEU 6 2HD2 LEU 6 1.701 2.641 -4.566
40 H CYS 7 H CYS 7 4.907 -1.448 -5.211
41 HA CYS 7 HA CYS 7 6.243 -2.071 -2.708
42 HB2 CYS 7 2HB CYS 7 7.304 -2.510 -5.516
43 HB3 CYS 7 1HB CYS 7 8.030 -3.079 -4.016
44 H ARG 8 H ARG 8 7.611 -0.692 -1.874
45 HA ARG 8 HA ARG 8 8.599 1.470 -3.549
46 HB2 ARG 8 2HB ARG 8 6.631 2.332 -2.335
47 HB3 ARG 8 1HB ARG 8 7.359 1.847 -0.810
48 HG2 ARG 8 2HG ARG 8 9.134 3.430 -1.091
49 HG3 ARG 8 1HG ARG 8 8.563 3.845 -2.705
50 HD2 ARG 8 2HD ARG 8 6.486 4.708 -1.718
51 HD3 ARG 8 1HD ARG 8 7.089 4.299 -0.110
52 HE ARG 8 HE ARG 8 8.938 5.932 -1.477
53 HH11 ARG 8 1HH1 ARG 8 5.772 6.185 0.109
54 HH12 ARG 8 2HH1 ARG 8 6.007 7.773 0.648
55 HH21 ARG 8 1HH2 ARG 8 9.249 8.143 -0.755
56 HH22 ARG 8 2HH2 ARG 8 8.027 8.921 0.133
57 H ARG 9 H ARG 9 10.676 1.705 -3.362
58 HA ARG 9 HA ARG 9 12.836 1.643 -2.698
59 HB2 ARG 9 2HB ARG 9 11.740 1.249 0.088
60 HB3 ARG 9 1HB ARG 9 13.422 1.570 -0.290
61 HG2 ARG 9 2HG ARG 9 12.858 3.768 -1.113
62 HG3 ARG 9 1HG ARG 9 11.138 3.443 -0.903
63 HD2 ARG 9 2HD ARG 9 13.233 3.633 1.260
64 HD3 ARG 9 1HD ARG 9 11.908 4.759 0.966
65 HE ARG 9 HE ARG 9 11.494 1.954 1.768
66 HH11 ARG 9 1HH1 ARG 9 10.664 5.383 2.190
67 HH12 ARG 9 2HH1 ARG 9 9.452 5.073 3.345
68 HH21 ARG 9 1HH2 ARG 9 9.859 1.553 3.322
69 HH22 ARG 9 2HH2 ARG 9 8.976 2.839 3.992
70 H GLY 10 H GLY 10 11.009 -0.905 -2.930
71 HA2 GLY 10 2HA GLY 10 11.999 -3.036 -3.424
72 HA3 GLY 10 1HA GLY 10 13.166 -2.742 -2.140
73 H ASP 11 H ASP 11 10.375 -1.651 -0.899
74 HA ASP 11 HA ASP 11 9.820 -4.240 0.337
75 HB2 ASP 11 2HB ASP 11 10.454 -2.475 1.916
76 HB3 ASP 11 1HB ASP 11 9.171 -1.442 1.299
77 H CYS 12 H CYS 12 7.985 -5.229 -0.219
78 HA CYS 12 HA CYS 12 5.992 -3.604 -1.561
79 HB2 CYS 12 2HB CYS 12 6.053 -6.558 -1.287
80 HB3 CYS 12 1HB CYS 12 4.935 -5.637 -2.250
81 H ARG 13 H ARG 13 4.403 -3.025 -0.787
82 HA ARG 13 HA ARG 13 3.512 -4.067 1.820
83 HB2 ARG 13 2HB ARG 13 5.069 -2.023 1.900
84 HB3 ARG 13 1HB ARG 13 3.744 -1.129 1.190
85 HG2 ARG 13 2HG ARG 13 3.924 -0.846 3.622
86 HG3 ARG 13 1HG ARG 13 2.377 -1.541 3.132
87 HD2 ARG 13 2HD ARG 13 3.487 -2.601 5.145
88 HD3 ARG 13 1HD ARG 13 2.997 -3.699 3.864
89 HE ARG 13 HE ARG 13 5.713 -2.935 3.509
90 HH11 ARG 13 1HH1 ARG 13 3.734 -4.860 5.724
91 HH12 ARG 13 2HH1 ARG 13 4.904 -6.082 5.927
92 HH21 ARG 13 1HH2 ARG 13 7.347 -4.593 3.827
93 HH22 ARG 13 2HH2 ARG 13 6.999 -5.909 4.851
94 H CYS 14 H CYS 14 1.250 -4.017 2.054
95 HA CYS 14 HA CYS 14 -0.060 -3.189 -0.378
96 HB2 CYS 14 2HB CYS 14 -1.006 -5.172 1.685
97 HB3 CYS 14 1HB CYS 14 -1.877 -4.746 0.217
98 H ILE 15 H ILE 15 -1.914 -1.967 -0.399
99 HA ILE 15 HA ILE 15 -2.682 -0.752 2.134
100 HB ILE 15 HB ILE 15 -1.354 0.872 0.864
101 HG12 ILE 15 2HG1 ILE 15 -3.030 2.713 0.553
102 HG13 ILE 15 1HG1 ILE 15 -4.305 1.525 0.781
103 HG21 ILE 15 1HG2 ILE 15 -2.009 1.694 -1.345
104 HG22 ILE 15 2HG2 ILE 15 -3.251 0.444 -1.423
105 HG23 ILE 15 3HG2 ILE 15 -1.550 -0.009 -1.358
106 HD11 ILE 15 3HD1 ILE 15 -3.878 2.807 2.807
107 HD12 ILE 15 1HD1 ILE 15 -2.206 2.252 2.810
108 HD13 ILE 15 2HD1 ILE 15 -3.521 1.096 3.039
109 H CYS 16 H CYS 16 -4.864 -0.717 2.475
110 HA CYS 16 HA CYS 16 -6.450 -1.661 0.246
111 HB2 CYS 16 2HB CYS 16 -6.883 -2.168 3.196
112 HB3 CYS 16 1HB CYS 16 -8.035 -2.612 1.942
113 H THR 17 H THR 17 -8.273 -0.565 -0.266
114 HA THR 17 HA THR 17 -8.943 1.797 1.383
115 HB THR 17 HB THR 17 -9.289 1.607 -1.534
116 HG1 THR 17 1HG THR 17 -6.983 2.178 0.014
117 HG21 THR 17 3HG2 THR 17 -10.447 3.421 -0.427
118 HG22 THR 17 1HG2 THR 17 -9.141 4.096 -1.400
119 HG23 THR 17 2HG2 THR 17 -8.952 3.950 0.347
120 H ARG 18 H ARG 18 -10.799 1.332 2.177
121 HA ARG 18 HA ARG 18 -12.998 0.898 2.576
122 HB2 ARG 18 2HB ARG 18 -13.268 0.582 -0.420
123 HB3 ARG 18 1HB ARG 18 -14.564 0.783 0.758
124 HG2 ARG 18 2HG ARG 18 -14.035 3.037 1.121
125 HG3 ARG 18 1HG ARG 18 -12.454 2.870 0.350
126 HD2 ARG 18 2HD ARG 18 -15.143 2.697 -0.997
127 HD3 ARG 18 1HD ARG 18 -13.986 4.015 -1.162
128 HE ARG 18 HE ARG 18 -13.637 1.271 -2.145
129 HH11 ARG 18 1HH1 ARG 18 -12.724 4.682 -2.315
130 HH12 ARG 18 2HH1 ARG 18 -11.796 4.523 -3.720
131 HH21 ARG 18 1HH2 ARG 18 -12.311 1.019 -4.030
132 HH22 ARG 18 2HH2 ARG 18 -11.571 2.392 -4.739
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -12.085 -1.463 -0.312
2 HA2 GLY 1 2HA GLY 1 -12.239 -4.265 0.545
3 HA3 GLY 1 1HA GLY 1 -13.491 -3.799 -0.592
4 H ASP 2 H ASP 2 -10.651 -2.070 -1.149
5 HA ASP 2 HA ASP 2 -9.827 -3.957 -3.224
6 HB2 ASP 2 2HB ASP 2 -10.946 -2.101 -4.289
7 HB3 ASP 2 1HB ASP 2 -10.046 -0.937 -3.323
8 H CYS 3 H CYS 3 -7.941 -4.778 -2.533
9 HA CYS 3 HA CYS 3 -6.182 -3.014 -1.099
10 HB2 CYS 3 2HB CYS 3 -5.871 -5.927 -1.674
11 HB3 CYS 3 1HB CYS 3 -4.744 -4.972 -0.736
12 H ARG 4 H ARG 4 -4.729 -2.075 -1.799
13 HA ARG 4 HA ARG 4 -3.760 -2.413 -4.582
14 HB2 ARG 4 2HB ARG 4 -3.729 0.072 -2.867
15 HB3 ARG 4 1HB ARG 4 -3.412 -0.042 -4.595
16 HG2 ARG 4 2HG ARG 4 -5.700 -0.558 -5.041
17 HG3 ARG 4 1HG ARG 4 -6.052 -0.680 -3.321
18 HD2 ARG 4 2HD ARG 4 -5.454 1.702 -3.080
19 HD3 ARG 4 1HD ARG 4 -5.250 1.797 -4.829
20 HE ARG 4 HE ARG 4 -7.691 0.731 -4.540
21 HH11 ARG 4 1HH1 ARG 4 -6.171 3.648 -3.230
22 HH12 ARG 4 2HH1 ARG 4 -7.602 4.556 -3.131
23 HH21 ARG 4 1HH2 ARG 4 -9.701 1.980 -4.385
24 HH22 ARG 4 2HH2 ARG 4 -9.695 3.561 -3.800
25 H CYS 5 H CYS 5 -1.662 -3.097 -4.595
26 HA CYS 5 HA CYS 5 -0.211 -2.560 -2.168
27 HB2 CYS 5 2HB CYS 5 0.359 -4.625 -4.263
28 HB3 CYS 5 1HB CYS 5 1.377 -4.326 -2.865
29 H LEU 6 H LEU 6 1.562 -1.570 -2.055
30 HA LEU 6 HA LEU 6 2.560 -0.204 -4.447
31 HB2 LEU 6 2HB LEU 6 1.408 1.269 -2.834
32 HB3 LEU 6 1HB LEU 6 2.464 0.694 -1.562
33 HG LEU 6 HG LEU 6 4.387 1.712 -2.765
34 HD11 LEU 6 1HD1 LEU 6 3.485 1.707 -5.014
35 HD12 LEU 6 2HD1 LEU 6 3.947 3.339 -4.529
36 HD13 LEU 6 3HD1 LEU 6 2.245 2.864 -4.534
37 HD21 LEU 6 3HD2 LEU 6 2.131 3.589 -2.077
38 HD22 LEU 6 1HD2 LEU 6 3.839 4.019 -2.174
39 HD23 LEU 6 2HD2 LEU 6 3.281 2.889 -0.937
40 H CYS 7 H CYS 7 4.366 -1.378 -4.943
41 HA CYS 7 HA CYS 7 6.058 -2.118 -2.715
42 HB2 CYS 7 2HB CYS 7 6.172 -3.023 -5.607
43 HB3 CYS 7 1HB CYS 7 7.246 -3.586 -4.333
44 H ARG 8 H ARG 8 7.731 -0.870 -2.284
45 HA ARG 8 HA ARG 8 9.085 0.560 -4.406
46 HB2 ARG 8 2HB ARG 8 7.927 1.933 -1.948
47 HB3 ARG 8 1HB ARG 8 9.031 2.686 -3.093
48 HG2 ARG 8 2HG ARG 8 6.292 1.639 -3.804
49 HG3 ARG 8 1HG ARG 8 6.653 3.324 -3.432
50 HD2 ARG 8 2HD ARG 8 7.962 3.575 -5.365
51 HD3 ARG 8 1HD ARG 8 8.136 1.839 -5.588
52 HE ARG 8 HE ARG 8 5.618 1.945 -6.004
53 HH11 ARG 8 1HH1 ARG 8 7.828 4.544 -6.896
54 HH12 ARG 8 2HH1 ARG 8 7.007 4.960 -8.323
55 HH21 ARG 8 1HH2 ARG 8 4.516 2.463 -7.997
56 HH22 ARG 8 2HH2 ARG 8 5.103 3.739 -8.974
57 H ARG 9 H ARG 9 11.183 0.851 -3.971
58 HA ARG 9 HA ARG 9 13.261 0.599 -3.058
59 HB2 ARG 9 2HB ARG 9 11.891 0.588 -0.388
60 HB3 ARG 9 1HB ARG 9 13.589 0.941 -0.685
61 HG2 ARG 9 2HG ARG 9 11.236 2.618 -1.532
62 HG3 ARG 9 1HG ARG 9 12.334 2.965 -0.202
63 HD2 ARG 9 2HD ARG 9 14.168 3.258 -1.761
64 HD3 ARG 9 1HD ARG 9 13.121 2.809 -3.117
65 HE ARG 9 HE ARG 9 11.895 4.846 -1.734
66 HH11 ARG 9 1HH1 ARG 9 14.847 4.542 -3.656
67 HH12 ARG 9 2HH1 ARG 9 14.785 6.145 -4.230
68 HH21 ARG 9 1HH2 ARG 9 11.807 6.996 -2.531
69 HH22 ARG 9 2HH2 ARG 9 13.019 7.564 -3.583
70 H GLY 10 H GLY 10 11.463 -1.655 -3.566
71 HA2 GLY 10 2HA GLY 10 11.737 -3.955 -3.614
72 HA3 GLY 10 1HA GLY 10 13.159 -3.763 -2.590
73 H ASP 11 H ASP 11 10.197 -2.338 -1.565
74 HA ASP 11 HA ASP 11 9.672 -4.573 0.257
75 HB2 ASP 11 2HB ASP 11 10.966 -2.966 1.513
76 HB3 ASP 11 1HB ASP 11 9.963 -1.642 0.934
77 H CYS 12 H CYS 12 7.571 -5.150 0.151
78 HA CYS 12 HA CYS 12 5.783 -3.295 -1.201
79 HB2 CYS 12 2HB CYS 12 5.325 -6.161 -0.578
80 HB3 CYS 12 1HB CYS 12 4.236 -5.127 -1.455
81 H ARG 13 H ARG 13 4.291 -2.386 -0.462
82 HA ARG 13 HA ARG 13 3.209 -3.085 2.201
83 HB2 ARG 13 2HB ARG 13 3.734 -0.263 1.186
84 HB3 ARG 13 1HB ARG 13 2.921 -0.657 2.695
85 HG2 ARG 13 2HG ARG 13 5.752 -1.425 2.023
86 HG3 ARG 13 1HG ARG 13 5.292 -0.031 3.009
87 HD2 ARG 13 2HD ARG 13 4.560 -1.343 4.753
88 HD3 ARG 13 1HD ARG 13 4.278 -2.750 3.749
89 HE ARG 13 HE ARG 13 6.986 -2.213 3.667
90 HH11 ARG 13 1HH1 ARG 13 4.679 -2.972 6.187
91 HH12 ARG 13 2HH1 ARG 13 5.670 -4.076 7.016
92 HH21 ARG 13 1HH2 ARG 13 8.355 -3.716 4.703
93 HH22 ARG 13 2HH2 ARG 13 7.898 -4.503 6.153
94 H CYS 14 H CYS 14 1.072 -3.299 2.257
95 HA CYS 14 HA CYS 14 -0.270 -2.499 -0.188
96 HB2 CYS 14 2HB CYS 14 -0.938 -4.826 1.616
97 HB3 CYS 14 1HB CYS 14 -1.847 -4.370 0.180
98 H ILE 15 H ILE 15 -1.914 -1.243 -0.180
99 HA ILE 15 HA ILE 15 -3.001 -0.263 2.370
100 HB ILE 15 HB ILE 15 -3.118 0.937 -0.418
101 HG12 ILE 15 2HG1 ILE 15 -0.814 1.015 0.407
102 HG13 ILE 15 1HG1 ILE 15 -1.514 2.629 0.366
103 HG21 ILE 15 1HG2 ILE 15 -3.923 2.154 2.220
104 HG22 ILE 15 2HG2 ILE 15 -5.008 1.617 0.943
105 HG23 ILE 15 3HG2 ILE 15 -3.927 2.981 0.663
106 HD11 ILE 15 3HD1 ILE 15 -0.181 2.306 2.363
107 HD12 ILE 15 1HD1 ILE 15 -1.154 0.901 2.795
108 HD13 ILE 15 2HD1 ILE 15 -1.882 2.507 2.786
109 H CYS 16 H CYS 16 -5.103 -0.860 2.760
110 HA CYS 16 HA CYS 16 -6.542 -1.865 0.446
111 HB2 CYS 16 2HB CYS 16 -6.868 -2.688 3.332
112 HB3 CYS 16 1HB CYS 16 -7.904 -3.216 2.008
113 H THR 17 H THR 17 -8.021 -0.647 -0.266
114 HA THR 17 HA THR 17 -9.204 1.350 1.532
115 HB THR 17 HB THR 17 -9.283 1.218 -1.386
116 HG1 THR 17 1HG THR 17 -7.351 2.334 0.409
117 HG21 THR 17 3HG2 THR 17 -9.561 3.514 0.552
118 HG22 THR 17 1HG2 THR 17 -10.828 2.792 -0.436
119 HG23 THR 17 2HG2 THR 17 -9.522 3.714 -1.195
120 H ARG 18 H ARG 18 -10.817 0.397 2.278
121 HA ARG 18 HA ARG 18 -12.892 -0.318 2.717
122 HB2 ARG 18 2HB ARG 18 -13.319 0.626 -0.082
123 HB3 ARG 18 1HB ARG 18 -14.545 -0.304 0.754
124 HG2 ARG 18 2HG ARG 18 -15.064 2.060 0.898
125 HG3 ARG 18 1HG ARG 18 -14.670 1.444 2.493
126 HD2 ARG 18 2HD ARG 18 -12.657 2.852 0.765
127 HD3 ARG 18 1HD ARG 18 -13.754 3.737 1.823
128 HE ARG 18 HE ARG 18 -12.483 1.816 3.359
129 HH11 ARG 18 1HH1 ARG 18 -11.581 4.718 1.542
130 HH12 ARG 18 2HH1 ARG 18 -10.228 5.089 2.505
131 HH21 ARG 18 1HH2 ARG 18 -10.618 2.313 4.684
132 HH22 ARG 18 2HH2 ARG 18 -9.680 3.688 4.376
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -11.433 -0.827 1.126
2 HA2 GLY 1 2HA GLY 1 -12.209 -2.950 1.695
3 HA3 GLY 1 1HA GLY 1 -13.543 -2.743 0.564
4 H ASP 2 H ASP 2 -10.553 -1.852 -0.683
5 HA ASP 2 HA ASP 2 -10.247 -4.390 -2.135
6 HB2 ASP 2 2HB ASP 2 -11.355 -2.728 -3.558
7 HB3 ASP 2 1HB ASP 2 -10.113 -1.547 -3.180
8 H CYS 3 H CYS 3 -8.140 -5.138 -2.088
9 HA CYS 3 HA CYS 3 -6.293 -3.290 -0.852
10 HB2 CYS 3 2HB CYS 3 -5.989 -6.242 -1.174
11 HB3 CYS 3 1HB CYS 3 -4.861 -5.196 -0.340
12 H ARG 4 H ARG 4 -4.777 -2.459 -1.718
13 HA ARG 4 HA ARG 4 -4.013 -3.204 -4.471
14 HB2 ARG 4 2HB ARG 4 -5.226 -1.054 -4.332
15 HB3 ARG 4 1HB ARG 4 -4.054 -0.466 -3.165
16 HG2 ARG 4 2HG ARG 4 -3.630 0.490 -5.340
17 HG3 ARG 4 1HG ARG 4 -2.306 -0.584 -4.895
18 HD2 ARG 4 2HD ARG 4 -3.281 -2.348 -6.287
19 HD3 ARG 4 1HD ARG 4 -4.598 -1.269 -6.740
20 HE ARG 4 HE ARG 4 -2.337 0.083 -7.378
21 HH11 ARG 4 1HH1 ARG 4 -3.690 -3.057 -8.285
22 HH12 ARG 4 2HH1 ARG 4 -2.937 -3.102 -9.807
23 HH21 ARG 4 1HH2 ARG 4 -1.328 0.017 -9.508
24 HH22 ARG 4 2HH2 ARG 4 -1.579 -1.321 -10.520
25 H CYS 5 H CYS 5 -1.954 -3.908 -4.618
26 HA CYS 5 HA CYS 5 -0.234 -3.334 -2.383
27 HB2 CYS 5 2HB CYS 5 0.157 -5.316 -4.596
28 HB3 CYS 5 1HB CYS 5 1.197 -5.128 -3.196
29 H LEU 6 H LEU 6 1.523 -2.317 -2.396
30 HA LEU 6 HA LEU 6 2.438 -1.049 -4.897
31 HB2 LEU 6 2HB LEU 6 1.036 0.539 -3.659
32 HB3 LEU 6 1HB LEU 6 1.981 0.265 -2.213
33 HG LEU 6 HG LEU 6 3.953 1.253 -3.397
34 HD11 LEU 6 1HD1 LEU 6 3.565 2.589 -5.400
35 HD12 LEU 6 2HD1 LEU 6 1.911 1.980 -5.484
36 HD13 LEU 6 3HD1 LEU 6 3.268 0.872 -5.681
37 HD21 LEU 6 3HD2 LEU 6 1.516 3.016 -3.125
38 HD22 LEU 6 1HD2 LEU 6 3.188 3.574 -3.193
39 HD23 LEU 6 2HD2 LEU 6 2.647 2.582 -1.844
40 H CYS 7 H CYS 7 4.715 -0.746 -4.950
41 HA CYS 7 HA CYS 7 6.020 -1.796 -2.595
42 HB2 CYS 7 2HB CYS 7 7.025 -1.973 -5.449
43 HB3 CYS 7 1HB CYS 7 7.865 -2.605 -4.038
44 H ARG 8 H ARG 8 7.645 -0.612 -1.704
45 HA ARG 8 HA ARG 8 8.485 1.786 -3.126
46 HB2 ARG 8 2HB ARG 8 7.661 1.633 -0.221
47 HB3 ARG 8 1HB ARG 8 8.426 3.022 -0.975
48 HG2 ARG 8 2HG ARG 8 6.520 3.362 -2.406
49 HG3 ARG 8 1HG ARG 8 5.771 1.881 -1.810
50 HD2 ARG 8 2HD ARG 8 6.405 4.320 -0.152
51 HD3 ARG 8 1HD ARG 8 4.812 3.868 -0.770
52 HE ARG 8 HE ARG 8 6.026 1.801 0.758
53 HH11 ARG 8 1HH1 ARG 8 4.143 4.775 1.077
54 HH12 ARG 8 2HH1 ARG 8 3.471 4.356 2.586
55 HH21 ARG 8 1HH2 ARG 8 5.171 1.225 2.769
56 HH22 ARG 8 2HH2 ARG 8 4.105 2.254 3.616
57 H ARG 9 H ARG 9 10.608 1.688 -3.327
58 HA ARG 9 HA ARG 9 12.827 1.319 -2.982
59 HB2 ARG 9 2HB ARG 9 11.947 1.079 -0.117
60 HB3 ARG 9 1HB ARG 9 13.627 0.904 -0.592
61 HG2 ARG 9 2HG ARG 9 11.954 3.358 -1.102
62 HG3 ARG 9 1HG ARG 9 13.058 3.150 0.259
63 HD2 ARG 9 2HD ARG 9 13.822 3.108 -2.665
64 HD3 ARG 9 1HD ARG 9 14.124 4.413 -1.529
65 HE ARG 9 HE ARG 9 15.215 2.030 -0.524
66 HH11 ARG 9 1HH1 ARG 9 15.845 4.465 -3.046
67 HH12 ARG 9 2HH1 ARG 9 17.506 4.143 -3.111
68 HH21 ARG 9 1HH2 ARG 9 17.524 1.592 -0.661
69 HH22 ARG 9 2HH2 ARG 9 18.477 2.506 -1.721
70 H GLY 10 H GLY 10 10.773 -0.881 -3.254
71 HA2 GLY 10 2HA GLY 10 11.298 -3.117 -3.923
72 HA3 GLY 10 1HA GLY 10 12.646 -3.097 -2.786
73 H ASP 11 H ASP 11 10.624 -1.706 -0.921
74 HA ASP 11 HA ASP 11 9.784 -4.133 0.398
75 HB2 ASP 11 2HB ASP 11 10.713 -2.376 1.801
76 HB3 ASP 11 1HB ASP 11 9.595 -1.202 1.133
77 H CYS 12 H CYS 12 8.053 -5.057 -0.444
78 HA CYS 12 HA CYS 12 5.972 -3.368 -1.484
79 HB2 CYS 12 2HB CYS 12 6.090 -6.354 -1.479
80 HB3 CYS 12 1HB CYS 12 4.927 -5.361 -2.319
81 H ARG 13 H ARG 13 4.163 -3.062 -0.790
82 HA ARG 13 HA ARG 13 3.270 -4.415 1.653
83 HB2 ARG 13 2HB ARG 13 4.625 -2.333 2.201
84 HB3 ARG 13 1HB ARG 13 3.339 -1.418 1.446
85 HG2 ARG 13 2HG ARG 13 1.754 -2.135 3.088
86 HG3 ARG 13 1HG ARG 13 2.925 -3.257 3.787
87 HD2 ARG 13 2HD ARG 13 3.097 -0.261 3.732
88 HD3 ARG 13 1HD ARG 13 2.824 -1.281 5.145
89 HE ARG 13 HE ARG 13 5.199 -2.079 3.901
90 HH11 ARG 13 1HH1 ARG 13 3.958 0.546 5.908
91 HH12 ARG 13 2HH1 ARG 13 5.490 1.082 6.403
92 HH21 ARG 13 1HH2 ARG 13 7.275 -1.312 4.489
93 HH22 ARG 13 2HH2 ARG 13 7.441 -0.021 5.600
94 H CYS 14 H CYS 14 1.000 -4.305 1.926
95 HA CYS 14 HA CYS 14 -0.260 -3.294 -0.453
96 HB2 CYS 14 2HB CYS 14 -1.190 -5.603 1.250
97 HB3 CYS 14 1HB CYS 14 -1.994 -5.017 -0.204
98 H ILE 15 H ILE 15 -1.714 -1.851 -0.376
99 HA ILE 15 HA ILE 15 -2.502 -0.808 2.224
100 HB ILE 15 HB ILE 15 -2.445 0.440 -0.545
101 HG12 ILE 15 2HG1 ILE 15 -0.684 0.968 1.862
102 HG13 ILE 15 1HG1 ILE 15 -0.199 0.063 0.434
103 HG21 ILE 15 1HG2 ILE 15 -4.243 1.388 0.776
104 HG22 ILE 15 2HG2 ILE 15 -2.935 2.565 0.613
105 HG23 ILE 15 3HG2 ILE 15 -3.132 1.661 2.114
106 HD11 ILE 15 3HD1 ILE 15 -0.937 2.982 0.518
107 HD12 ILE 15 1HD1 ILE 15 -0.455 2.084 -0.920
108 HD13 ILE 15 2HD1 ILE 15 0.692 2.321 0.395
109 H CYS 16 H CYS 16 -4.510 -1.392 2.783
110 HA CYS 16 HA CYS 16 -6.356 -2.059 0.657
111 HB2 CYS 16 2HB CYS 16 -6.576 -2.608 3.628
112 HB3 CYS 16 1HB CYS 16 -7.733 -3.128 2.406
113 H THR 17 H THR 17 -7.809 -0.724 0.041
114 HA THR 17 HA THR 17 -9.000 1.095 1.925
115 HB THR 17 HB THR 17 -7.694 2.137 -0.626
116 HG1 THR 17 1HG THR 17 -6.752 1.646 1.852
117 HG21 THR 17 3HG2 THR 17 -9.685 3.417 0.164
118 HG22 THR 17 1HG2 THR 17 -8.200 4.357 0.310
119 HG23 THR 17 2HG2 THR 17 -8.904 3.605 1.734
120 H ARG 18 H ARG 18 -11.098 1.747 1.163
121 HA ARG 18 HA ARG 18 -13.047 1.709 0.003
122 HB2 ARG 18 2HB ARG 18 -11.574 0.489 -2.346
123 HB3 ARG 18 1HB ARG 18 -13.113 1.332 -2.329
124 HG2 ARG 18 2HG ARG 18 -12.071 3.437 -2.008
125 HG3 ARG 18 1HG ARG 18 -10.517 2.677 -1.659
126 HD2 ARG 18 2HD ARG 18 -11.966 2.664 -4.304
127 HD3 ARG 18 1HD ARG 18 -10.500 3.568 -3.915
128 HE ARG 18 HE ARG 18 -10.592 0.620 -3.871
129 HH11 ARG 18 1HH1 ARG 18 -8.954 3.610 -4.919
130 HH12 ARG 18 2HH1 ARG 18 -7.703 2.791 -5.709
131 HH21 ARG 18 1HH2 ARG 18 -8.731 -0.512 -4.977
132 HH22 ARG 18 2HH2 ARG 18 -7.598 0.478 -5.743
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -11.206 -1.415 1.022
2 HA2 GLY 1 2HA GLY 1 -11.871 -3.695 1.570
3 HA3 GLY 1 1HA GLY 1 -13.239 -3.480 0.477
4 H ASP 2 H ASP 2 -10.736 -1.855 -0.893
5 HA ASP 2 HA ASP 2 -10.032 -4.083 -2.659
6 HB2 ASP 2 2HB ASP 2 -9.742 -1.096 -3.038
7 HB3 ASP 2 1HB ASP 2 -9.313 -2.330 -4.202
8 H CYS 3 H CYS 3 -7.844 -4.585 -2.774
9 HA CYS 3 HA CYS 3 -6.234 -2.852 -1.135
10 HB2 CYS 3 2HB CYS 3 -5.681 -5.697 -1.926
11 HB3 CYS 3 1HB CYS 3 -4.573 -4.681 -1.025
12 H ARG 4 H ARG 4 -4.508 -1.928 -1.793
13 HA ARG 4 HA ARG 4 -3.867 -2.006 -4.666
14 HB2 ARG 4 2HB ARG 4 -3.210 0.149 -2.636
15 HB3 ARG 4 1HB ARG 4 -3.019 0.245 -4.368
16 HG2 ARG 4 2HG ARG 4 -5.684 0.127 -2.948
17 HG3 ARG 4 1HG ARG 4 -4.885 1.615 -3.416
18 HD2 ARG 4 2HD ARG 4 -6.458 1.243 -5.104
19 HD3 ARG 4 1HD ARG 4 -4.954 0.681 -5.806
20 HE ARG 4 HE ARG 4 -5.989 -1.587 -4.796
21 HH11 ARG 4 1HH1 ARG 4 -7.331 0.894 -6.948
22 HH12 ARG 4 2HH1 ARG 4 -8.495 -0.124 -7.653
23 HH21 ARG 4 1HH2 ARG 4 -7.656 -3.000 -5.754
24 HH22 ARG 4 2HH2 ARG 4 -8.689 -2.353 -6.931
25 H CYS 5 H CYS 5 -2.195 -3.552 -4.630
26 HA CYS 5 HA CYS 5 -0.289 -3.231 -2.501
27 HB2 CYS 5 2HB CYS 5 -0.486 -5.426 -4.527
28 HB3 CYS 5 1HB CYS 5 0.701 -5.351 -3.248
29 H LEU 6 H LEU 6 1.447 -2.425 -2.693
30 HA LEU 6 HA LEU 6 2.566 -1.806 -5.369
31 HB2 LEU 6 2HB LEU 6 2.269 0.168 -3.105
32 HB3 LEU 6 1HB LEU 6 3.141 0.470 -4.593
33 HG LEU 6 HG LEU 6 0.159 -0.009 -4.389
34 HD11 LEU 6 1HD1 LEU 6 1.708 2.535 -4.855
35 HD12 LEU 6 2HD1 LEU 6 0.835 2.102 -3.382
36 HD13 LEU 6 3HD1 LEU 6 -0.047 2.363 -4.884
37 HD21 LEU 6 3HD2 LEU 6 1.885 0.820 -6.731
38 HD22 LEU 6 1HD2 LEU 6 0.123 0.758 -6.727
39 HD23 LEU 6 2HD2 LEU 6 1.058 -0.724 -6.539
40 H CYS 7 H CYS 7 4.833 -1.545 -5.392
41 HA CYS 7 HA CYS 7 6.045 -2.291 -2.880
42 HB2 CYS 7 2HB CYS 7 7.056 -2.917 -5.672
43 HB3 CYS 7 1HB CYS 7 7.939 -3.280 -4.192
44 H ARG 8 H ARG 8 7.349 -0.902 -1.988
45 HA ARG 8 HA ARG 8 8.243 1.375 -3.625
46 HB2 ARG 8 2HB ARG 8 7.213 1.419 -0.787
47 HB3 ARG 8 1HB ARG 8 7.922 2.786 -1.620
48 HG2 ARG 8 2HG ARG 8 5.403 1.396 -2.532
49 HG3 ARG 8 1HG ARG 8 5.416 2.781 -1.452
50 HD2 ARG 8 2HD ARG 8 4.978 3.555 -3.693
51 HD3 ARG 8 1HD ARG 8 6.585 4.085 -3.226
52 HE ARG 8 HE ARG 8 6.662 1.611 -4.645
53 HH11 ARG 8 1HH1 ARG 8 6.345 5.108 -5.154
54 HH12 ARG 8 2HH1 ARG 8 6.908 5.019 -6.766
55 HH21 ARG 8 1HH2 ARG 8 7.447 1.542 -6.818
56 HH22 ARG 8 2HH2 ARG 8 7.566 2.975 -7.721
57 H ARG 9 H ARG 9 10.389 1.113 -3.797
58 HA ARG 9 HA ARG 9 12.595 1.164 -3.216
59 HB2 ARG 9 2HB ARG 9 11.427 1.764 -0.555
60 HB3 ARG 9 1HB ARG 9 13.156 1.845 -0.865
61 HG2 ARG 9 2HG ARG 9 12.839 3.613 -2.459
62 HG3 ARG 9 1HG ARG 9 11.085 3.471 -2.325
63 HD2 ARG 9 2HD ARG 9 11.962 5.386 -1.078
64 HD3 ARG 9 1HD ARG 9 11.183 4.216 -0.025
65 HE ARG 9 HE ARG 9 13.400 3.463 0.620
66 HH11 ARG 9 1HH1 ARG 9 13.327 6.583 -1.072
67 HH12 ARG 9 2HH1 ARG 9 14.588 7.258 -0.177
68 HH21 ARG 9 1HH2 ARG 9 15.143 4.431 1.887
69 HH22 ARG 9 2HH2 ARG 9 15.659 6.016 1.531
70 H GLY 10 H GLY 10 11.076 -1.287 -3.024
71 HA2 GLY 10 2HA GLY 10 12.021 -3.471 -2.839
72 HA3 GLY 10 1HA GLY 10 13.139 -2.845 -1.635
73 H ASP 11 H ASP 11 10.190 -1.641 -0.917
74 HA ASP 11 HA ASP 11 9.600 -3.832 0.945
75 HB2 ASP 11 2HB ASP 11 10.213 -1.765 2.103
76 HB3 ASP 11 1HB ASP 11 9.046 -0.858 1.152
77 H CYS 12 H CYS 12 8.016 -5.043 -0.018
78 HA CYS 12 HA CYS 12 6.005 -3.636 -1.488
79 HB2 CYS 12 2HB CYS 12 6.189 -6.574 -0.948
80 HB3 CYS 12 1HB CYS 12 4.998 -5.808 -1.969
81 H ARG 13 H ARG 13 4.143 -3.283 -1.062
82 HA ARG 13 HA ARG 13 3.281 -3.594 1.745
83 HB2 ARG 13 2HB ARG 13 4.606 -1.570 1.373
84 HB3 ARG 13 1HB ARG 13 3.474 -1.078 0.137
85 HG2 ARG 13 2HG ARG 13 1.718 -0.888 1.835
86 HG3 ARG 13 1HG ARG 13 2.893 -1.379 3.071
87 HD2 ARG 13 2HD ARG 13 3.006 1.060 1.313
88 HD3 ARG 13 1HD ARG 13 2.826 1.013 3.070
89 HE ARG 13 HE ARG 13 5.127 -0.326 2.668
90 HH11 ARG 13 1HH1 ARG 13 4.096 2.922 1.705
91 HH12 ARG 13 2HH1 ARG 13 5.682 3.494 1.495
92 HH21 ARG 13 1HH2 ARG 13 7.205 0.399 2.356
93 HH22 ARG 13 2HH2 ARG 13 7.532 2.025 1.897
94 H CYS 14 H CYS 14 1.116 -3.977 1.839
95 HA CYS 14 HA CYS 14 -0.327 -3.274 -0.543
96 HB2 CYS 14 2HB CYS 14 -0.988 -5.413 1.495
97 HB3 CYS 14 1HB CYS 14 -2.124 -4.897 0.254
98 H ILE 15 H ILE 15 -1.570 -1.600 -0.398
99 HA ILE 15 HA ILE 15 -2.413 -0.646 2.244
100 HB ILE 15 HB ILE 15 -2.328 0.790 -0.434
101 HG12 ILE 15 2HG1 ILE 15 -0.523 1.121 1.982
102 HG13 ILE 15 1HG1 ILE 15 -0.081 0.279 0.502
103 HG21 ILE 15 1HG2 ILE 15 -2.749 2.826 0.911
104 HG22 ILE 15 2HG2 ILE 15 -2.976 1.801 2.334
105 HG23 ILE 15 3HG2 ILE 15 -4.085 1.676 0.974
106 HD11 ILE 15 3HD1 ILE 15 0.869 2.513 0.583
107 HD12 ILE 15 1HD1 ILE 15 -0.744 3.209 0.742
108 HD13 ILE 15 2HD1 ILE 15 -0.279 2.370 -0.742
109 H CYS 16 H CYS 16 -4.489 -1.157 2.742
110 HA CYS 16 HA CYS 16 -6.214 -1.694 0.464
111 HB2 CYS 16 2HB CYS 16 -6.460 -2.756 3.282
112 HB3 CYS 16 1HB CYS 16 -7.523 -3.161 1.935
113 H THR 17 H THR 17 -8.036 -0.660 0.155
114 HA THR 17 HA THR 17 -9.140 1.021 2.242
115 HB THR 17 HB THR 17 -8.402 2.186 -0.451
116 HG1 THR 17 1HG THR 17 -6.929 1.846 1.847
117 HG21 THR 17 3HG2 THR 17 -10.289 3.272 0.728
118 HG22 THR 17 1HG2 THR 17 -8.888 4.343 0.631
119 HG23 THR 17 2HG2 THR 17 -9.254 3.504 2.135
120 H ARG 18 H ARG 18 -11.318 1.211 1.972
121 HA ARG 18 HA ARG 18 -13.447 0.992 1.249
122 HB2 ARG 18 2HB ARG 18 -12.484 0.380 -1.543
123 HB3 ARG 18 1HB ARG 18 -14.047 0.969 -1.012
124 HG2 ARG 18 2HG ARG 18 -13.094 3.136 -0.479
125 HG3 ARG 18 1HG ARG 18 -11.487 2.548 -0.920
126 HD2 ARG 18 2HD ARG 18 -13.872 2.941 -2.721
127 HD3 ARG 18 1HD ARG 18 -12.325 3.780 -2.787
128 HE ARG 18 HE ARG 18 -12.279 0.885 -3.192
129 HH11 ARG 18 1HH1 ARG 18 -12.057 4.072 -4.721
130 HH12 ARG 18 2HH1 ARG 18 -11.557 3.458 -6.219
131 HH21 ARG 18 1HH2 ARG 18 -11.652 0.081 -5.145
132 HH22 ARG 18 2HH2 ARG 18 -11.318 1.087 -6.509
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -11.011 -0.953 1.262
2 HA2 GLY 1 2HA GLY 1 -11.730 -3.106 2.030
3 HA3 GLY 1 1HA GLY 1 -13.047 -3.037 0.870
4 H ASP 2 H ASP 2 -10.693 -1.886 -0.924
5 HA ASP 2 HA ASP 2 -10.032 -4.556 -1.907
6 HB2 ASP 2 2HB ASP 2 -11.236 -3.210 -3.539
7 HB3 ASP 2 1HB ASP 2 -10.072 -1.900 -3.352
8 H CYS 3 H CYS 3 -7.934 -5.130 -2.112
9 HA CYS 3 HA CYS 3 -6.128 -3.160 -1.013
10 HB2 CYS 3 2HB CYS 3 -5.769 -6.127 -1.009
11 HB3 CYS 3 1HB CYS 3 -4.698 -4.962 -0.268
12 H ARG 4 H ARG 4 -4.543 -2.474 -1.967
13 HA ARG 4 HA ARG 4 -3.726 -3.667 -4.527
14 HB2 ARG 4 2HB ARG 4 -4.883 -1.564 -4.938
15 HB3 ARG 4 1HB ARG 4 -3.890 -0.745 -3.747
16 HG2 ARG 4 2HG ARG 4 -3.212 -0.198 -6.020
17 HG3 ARG 4 1HG ARG 4 -1.927 -1.026 -5.148
18 HD2 ARG 4 2HD ARG 4 -2.136 -1.854 -7.455
19 HD3 ARG 4 1HD ARG 4 -2.475 -3.116 -6.277
20 HE ARG 4 HE ARG 4 -4.699 -1.617 -7.398
21 HH11 ARG 4 1HH1 ARG 4 -2.885 -4.676 -7.308
22 HH12 ARG 4 2HH1 ARG 4 -4.096 -5.571 -8.085
23 HH21 ARG 4 1HH2 ARG 4 -6.389 -2.902 -8.406
24 HH22 ARG 4 2HH2 ARG 4 -6.140 -4.553 -8.694
25 H CYS 5 H CYS 5 -1.602 -4.204 -4.584
26 HA CYS 5 HA CYS 5 -0.091 -3.291 -2.317
27 HB2 CYS 5 2HB CYS 5 0.664 -5.470 -4.212
28 HB3 CYS 5 1HB CYS 5 1.387 -5.128 -2.645
29 H LEU 6 H LEU 6 1.286 -2.043 -2.298
30 HA LEU 6 HA LEU 6 2.335 -0.953 -4.842
31 HB2 LEU 6 2HB LEU 6 1.773 0.537 -2.267
32 HB3 LEU 6 1HB LEU 6 2.501 1.235 -3.697
33 HG LEU 6 HG LEU 6 -0.322 0.157 -3.524
34 HD11 LEU 6 1HD1 LEU 6 -0.990 2.496 -3.725
35 HD12 LEU 6 2HD1 LEU 6 0.704 2.982 -3.642
36 HD13 LEU 6 3HD1 LEU 6 -0.064 2.208 -2.257
37 HD21 LEU 6 3HD2 LEU 6 -0.604 1.189 -5.729
38 HD22 LEU 6 1HD2 LEU 6 0.607 -0.092 -5.748
39 HD23 LEU 6 2HD2 LEU 6 1.109 1.599 -5.752
40 H CYS 7 H CYS 7 4.531 -0.593 -4.937
41 HA CYS 7 HA CYS 7 5.893 -1.676 -2.637
42 HB2 CYS 7 2HB CYS 7 6.951 -1.550 -5.464
43 HB3 CYS 7 1HB CYS 7 7.746 -2.312 -4.087
44 H ARG 8 H ARG 8 7.476 -0.796 -1.611
45 HA ARG 8 HA ARG 8 8.167 1.977 -2.235
46 HB2 ARG 8 2HB ARG 8 7.592 0.653 0.424
47 HB3 ARG 8 1HB ARG 8 8.208 2.281 0.239
48 HG2 ARG 8 2HG ARG 8 6.173 3.003 -0.792
49 HG3 ARG 8 1HG ARG 8 5.566 1.348 -0.864
50 HD2 ARG 8 2HD ARG 8 4.585 2.668 0.984
51 HD3 ARG 8 1HD ARG 8 5.448 1.235 1.536
52 HE ARG 8 HE ARG 8 7.322 2.728 2.056
53 HH11 ARG 8 1HH1 ARG 8 4.045 4.127 1.898
54 HH12 ARG 8 2HH1 ARG 8 4.399 5.403 2.961
55 HH21 ARG 8 1HH2 ARG 8 7.777 4.497 3.518
56 HH22 ARG 8 2HH2 ARG 8 6.548 5.623 3.885
57 H ARG 9 H ARG 9 10.275 1.645 -2.951
58 HA ARG 9 HA ARG 9 12.539 1.310 -2.858
59 HB2 ARG 9 2HB ARG 9 12.246 0.307 -0.035
60 HB3 ARG 9 1HB ARG 9 13.683 0.964 -0.782
61 HG2 ARG 9 2HG ARG 9 12.771 3.185 -0.725
62 HG3 ARG 9 1HG ARG 9 11.211 2.566 -0.168
63 HD2 ARG 9 2HD ARG 9 13.837 2.497 1.310
64 HD3 ARG 9 1HD ARG 9 12.395 3.413 1.742
65 HE ARG 9 HE ARG 9 11.968 0.553 1.599
66 HH11 ARG 9 1HH1 ARG 9 12.893 3.171 3.785
67 HH12 ARG 9 2HH1 ARG 9 12.549 2.265 5.183
68 HH21 ARG 9 1HH2 ARG 9 11.572 -0.638 3.429
69 HH22 ARG 9 2HH2 ARG 9 11.763 0.036 5.003
70 H GLY 10 H GLY 10 10.475 -0.877 -3.249
71 HA2 GLY 10 2HA GLY 10 10.888 -3.041 -4.103
72 HA3 GLY 10 1HA GLY 10 12.334 -3.136 -3.106
73 H ASP 11 H ASP 11 10.389 -1.893 -0.924
74 HA ASP 11 HA ASP 11 9.602 -4.449 0.189
75 HB2 ASP 11 2HB ASP 11 9.215 -1.616 1.218
76 HB3 ASP 11 1HB ASP 11 8.836 -3.079 2.103
77 H CYS 12 H CYS 12 7.685 -5.224 -0.533
78 HA CYS 12 HA CYS 12 5.856 -3.218 -1.485
79 HB2 CYS 12 2HB CYS 12 5.602 -6.163 -1.819
80 HB3 CYS 12 1HB CYS 12 4.616 -4.941 -2.590
81 H ARG 13 H ARG 13 4.118 -2.721 -0.766
82 HA ARG 13 HA ARG 13 3.219 -3.974 1.730
83 HB2 ARG 13 2HB ARG 13 3.334 -0.997 1.175
84 HB3 ARG 13 1HB ARG 13 2.661 -1.740 2.622
85 HG2 ARG 13 2HG ARG 13 5.550 -1.809 1.744
86 HG3 ARG 13 1HG ARG 13 4.872 -0.892 3.093
87 HD2 ARG 13 2HD ARG 13 4.263 -2.928 4.226
88 HD3 ARG 13 1HD ARG 13 4.791 -3.899 2.857
89 HE ARG 13 HE ARG 13 6.558 -2.300 4.554
90 HH11 ARG 13 1HH1 ARG 13 6.055 -5.087 2.388
91 HH12 ARG 13 2HH1 ARG 13 7.423 -5.925 2.914
92 HH21 ARG 13 1HH2 ARG 13 8.471 -3.484 5.270
93 HH22 ARG 13 2HH2 ARG 13 8.846 -4.989 4.555
94 H CYS 14 H CYS 14 1.135 -4.377 1.855
95 HA CYS 14 HA CYS 14 -0.335 -3.570 -0.453
96 HB2 CYS 14 2HB CYS 14 -0.977 -5.719 1.570
97 HB3 CYS 14 1HB CYS 14 -1.991 -5.334 0.183
98 H ILE 15 H ILE 15 -1.497 -1.914 -0.421
99 HA ILE 15 HA ILE 15 -2.445 -0.884 2.123
100 HB ILE 15 HB ILE 15 -1.891 0.451 -0.542
101 HG12 ILE 15 2HG1 ILE 15 -0.580 0.701 2.176
102 HG13 ILE 15 1HG1 ILE 15 0.100 -0.076 0.761
103 HG21 ILE 15 1HG2 ILE 15 -3.854 1.497 0.417
104 HG22 ILE 15 2HG2 ILE 15 -2.471 2.590 0.577
105 HG23 ILE 15 3HG2 ILE 15 -3.035 1.660 1.967
106 HD11 ILE 15 3HD1 ILE 15 1.069 2.117 1.191
107 HD12 ILE 15 1HD1 ILE 15 -0.521 2.855 1.021
108 HD13 ILE 15 2HD1 ILE 15 0.246 2.067 -0.363
109 H CYS 16 H CYS 16 -4.523 -0.905 2.493
110 HA CYS 16 HA CYS 16 -6.205 -1.752 0.293
111 HB2 CYS 16 2HB CYS 16 -6.743 -2.008 3.254
112 HB3 CYS 16 1HB CYS 16 -7.714 -2.688 1.946
113 H THR 17 H THR 17 -7.857 -0.640 -0.369
114 HA THR 17 HA THR 17 -8.632 1.728 1.148
115 HB THR 17 HB THR 17 -8.283 1.776 -1.819
116 HG1 THR 17 1HG THR 17 -6.232 1.382 -0.794
117 HG21 THR 17 3HG2 THR 17 -8.200 4.225 -1.479
118 HG22 THR 17 1HG2 THR 17 -8.369 3.975 0.259
119 HG23 THR 17 2HG2 THR 17 -9.682 3.522 -0.825
120 H ARG 18 H ARG 18 -10.746 1.743 1.282
121 HA ARG 18 HA ARG 18 -12.966 1.353 1.042
122 HB2 ARG 18 2HB ARG 18 -12.256 1.025 -1.856
123 HB3 ARG 18 1HB ARG 18 -13.888 1.203 -1.216
124 HG2 ARG 18 2HG ARG 18 -11.710 3.277 -0.966
125 HG3 ARG 18 1HG ARG 18 -12.994 3.305 -2.172
126 HD2 ARG 18 2HD ARG 18 -14.664 3.476 -0.428
127 HD3 ARG 18 1HD ARG 18 -13.424 3.318 0.813
128 HE ARG 18 HE ARG 18 -12.510 5.429 -0.364
129 HH11 ARG 18 1HH1 ARG 18 -15.937 4.730 0.194
130 HH12 ARG 18 2HH1 ARG 18 -16.376 6.348 0.439
131 HH21 ARG 18 1HH2 ARG 18 -13.081 7.623 -0.059
132 HH22 ARG 18 2HH2 ARG 18 -14.696 8.068 0.273
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -11.342 -0.813 1.038
2 HA2 GLY 1 2HA GLY 1 -11.975 -2.955 1.762
3 HA3 GLY 1 1HA GLY 1 -13.402 -2.852 0.733
4 H ASP 2 H ASP 2 -10.676 -1.901 -0.941
5 HA ASP 2 HA ASP 2 -10.321 -4.579 -2.084
6 HB2 ASP 2 2HB ASP 2 -11.499 -3.008 -3.590
7 HB3 ASP 2 1HB ASP 2 -10.157 -1.879 -3.437
8 H CYS 3 H CYS 3 -8.217 -5.300 -2.096
9 HA CYS 3 HA CYS 3 -6.410 -3.455 -0.847
10 HB2 CYS 3 2HB CYS 3 -6.183 -6.437 -1.097
11 HB3 CYS 3 1HB CYS 3 -5.043 -5.399 -0.249
12 H ARG 4 H ARG 4 -4.506 -2.903 -1.492
13 HA ARG 4 HA ARG 4 -3.826 -3.345 -4.330
14 HB2 ARG 4 2HB ARG 4 -3.862 -0.732 -2.815
15 HB3 ARG 4 1HB ARG 4 -3.365 -0.950 -4.477
16 HG2 ARG 4 2HG ARG 4 -5.612 -1.422 -5.162
17 HG3 ARG 4 1HG ARG 4 -6.154 -1.483 -3.480
18 HD2 ARG 4 2HD ARG 4 -6.713 0.651 -4.576
19 HD3 ARG 4 1HD ARG 4 -5.647 0.854 -3.189
20 HE ARG 4 HE ARG 4 -4.590 0.762 -5.918
21 HH11 ARG 4 1HH1 ARG 4 -4.981 2.488 -2.851
22 HH12 ARG 4 2HH1 ARG 4 -3.860 3.713 -3.221
23 HH21 ARG 4 1HH2 ARG 4 -3.065 2.463 -6.455
24 HH22 ARG 4 2HH2 ARG 4 -2.773 3.725 -5.380
25 H CYS 5 H CYS 5 -1.570 -3.556 -4.554
26 HA CYS 5 HA CYS 5 -0.139 -3.064 -2.096
27 HB2 CYS 5 2HB CYS 5 0.660 -4.907 -4.317
28 HB3 CYS 5 1HB CYS 5 1.554 -4.652 -2.831
29 H LEU 6 H LEU 6 1.365 -1.757 -1.980
30 HA LEU 6 HA LEU 6 2.258 -0.338 -4.417
31 HB2 LEU 6 2HB LEU 6 1.812 0.657 -1.598
32 HB3 LEU 6 1HB LEU 6 2.851 1.519 -2.704
33 HG LEU 6 HG LEU 6 0.929 1.970 -4.179
34 HD11 LEU 6 1HD1 LEU 6 -0.439 0.004 -3.741
35 HD12 LEU 6 2HD1 LEU 6 -1.354 1.490 -3.474
36 HD13 LEU 6 3HD1 LEU 6 -0.740 0.572 -2.099
37 HD21 LEU 6 3HD2 LEU 6 -0.256 3.509 -2.712
38 HD22 LEU 6 1HD2 LEU 6 1.482 3.558 -2.433
39 HD23 LEU 6 2HD2 LEU 6 0.429 2.704 -1.305
40 H CYS 7 H CYS 7 4.512 -0.051 -4.647
41 HA CYS 7 HA CYS 7 5.937 -1.525 -2.615
42 HB2 CYS 7 2HB CYS 7 6.579 -1.424 -5.567
43 HB3 CYS 7 1HB CYS 7 7.578 -2.226 -4.357
44 H ARG 8 H ARG 8 7.677 -0.667 -1.678
45 HA ARG 8 HA ARG 8 8.670 1.897 -2.685
46 HB2 ARG 8 2HB ARG 8 8.117 1.176 0.209
47 HB3 ARG 8 1HB ARG 8 8.840 2.675 -0.347
48 HG2 ARG 8 2HG ARG 8 6.024 1.734 -0.878
49 HG3 ARG 8 1HG ARG 8 6.514 3.005 0.244
50 HD2 ARG 8 2HD ARG 8 7.360 4.330 -1.599
51 HD3 ARG 8 1HD ARG 8 6.973 3.043 -2.732
52 HE ARG 8 HE ARG 8 4.972 4.518 -1.179
53 HH11 ARG 8 1HH1 ARG 8 5.957 2.816 -4.152
54 HH12 ARG 8 2HH1 ARG 8 4.631 3.334 -5.060
55 HH21 ARG 8 1HH2 ARG 8 3.093 5.198 -2.479
56 HH22 ARG 8 2HH2 ARG 8 2.946 4.697 -4.095
57 H ARG 9 H ARG 9 10.723 1.586 -3.202
58 HA ARG 9 HA ARG 9 12.926 1.062 -3.118
59 HB2 ARG 9 2HB ARG 9 12.334 0.415 -0.245
60 HB3 ARG 9 1HB ARG 9 13.951 0.526 -0.916
61 HG2 ARG 9 2HG ARG 9 13.639 2.889 -1.370
62 HG3 ARG 9 1HG ARG 9 11.968 2.796 -0.809
63 HD2 ARG 9 2HD ARG 9 13.405 3.714 0.928
64 HD3 ARG 9 1HD ARG 9 12.737 2.161 1.408
65 HE ARG 9 HE ARG 9 15.351 2.076 0.182
66 HH11 ARG 9 1HH1 ARG 9 13.536 2.217 3.227
67 HH12 ARG 9 2HH1 ARG 9 14.821 1.612 4.167
68 HH21 ARG 9 1HH2 ARG 9 17.112 1.230 1.520
69 HH22 ARG 9 2HH2 ARG 9 16.833 1.036 3.196
70 H GLY 10 H GLY 10 10.775 -0.995 -3.526
71 HA2 GLY 10 2HA GLY 10 11.116 -3.124 -4.492
72 HA3 GLY 10 1HA GLY 10 12.592 -3.285 -3.552
73 H ASP 11 H ASP 11 10.637 -2.156 -1.313
74 HA ASP 11 HA ASP 11 9.751 -4.818 -0.489
75 HB2 ASP 11 2HB ASP 11 11.109 -3.605 1.176
76 HB3 ASP 11 1HB ASP 11 10.001 -2.240 1.096
77 H CYS 12 H CYS 12 7.613 -5.256 -0.488
78 HA CYS 12 HA CYS 12 6.018 -2.998 -1.337
79 HB2 CYS 12 2HB CYS 12 5.399 -5.895 -1.742
80 HB3 CYS 12 1HB CYS 12 4.479 -4.539 -2.367
81 H ARG 13 H ARG 13 4.254 -2.450 -0.508
82 HA ARG 13 HA ARG 13 3.436 -3.795 1.979
83 HB2 ARG 13 2HB ARG 13 4.609 -1.576 2.359
84 HB3 ARG 13 1HB ARG 13 3.279 -0.806 1.500
85 HG2 ARG 13 2HG ARG 13 2.871 -0.594 3.844
86 HG3 ARG 13 1HG ARG 13 1.720 -1.767 3.198
87 HD2 ARG 13 2HD ARG 13 2.547 -2.678 5.229
88 HD3 ARG 13 1HD ARG 13 3.332 -3.585 3.946
89 HE ARG 13 HE ARG 13 4.512 -1.547 5.658
90 HH11 ARG 13 1HH1 ARG 13 5.140 -4.040 3.146
91 HH12 ARG 13 2HH1 ARG 13 6.807 -4.068 3.490
92 HH21 ARG 13 1HH2 ARG 13 6.791 -1.757 6.116
93 HH22 ARG 13 2HH2 ARG 13 7.740 -2.845 5.235
94 H CYS 14 H CYS 14 1.284 -4.295 2.052
95 HA CYS 14 HA CYS 14 -0.223 -3.273 -0.175
96 HB2 CYS 14 2HB CYS 14 -0.733 -5.766 1.454
97 HB3 CYS 14 1HB CYS 14 -1.663 -5.246 0.052
98 H ILE 15 H ILE 15 -1.724 -1.889 0.157
99 HA ILE 15 HA ILE 15 -2.796 -1.576 2.843
100 HB ILE 15 HB ILE 15 -3.428 0.649 2.088
101 HG12 ILE 15 2HG1 ILE 15 -1.773 0.075 -0.373
102 HG13 ILE 15 1HG1 ILE 15 -3.526 0.220 -0.334
103 HG21 ILE 15 1HG2 ILE 15 -1.152 1.664 2.139
104 HG22 ILE 15 2HG2 ILE 15 -0.471 0.059 1.871
105 HG23 ILE 15 3HG2 ILE 15 -1.372 0.399 3.349
106 HD11 ILE 15 3HD1 ILE 15 -1.554 2.412 0.285
107 HD12 ILE 15 1HD1 ILE 15 -3.312 2.565 0.334
108 HD13 ILE 15 2HD1 ILE 15 -2.495 2.241 -1.195
109 H CYS 16 H CYS 16 -5.128 -0.774 2.704
110 HA CYS 16 HA CYS 16 -6.401 -1.923 0.374
111 HB2 CYS 16 2HB CYS 16 -7.361 -2.388 3.210
112 HB3 CYS 16 1HB CYS 16 -8.147 -2.977 1.747
113 H THR 17 H THR 17 -7.814 -0.730 -0.569
114 HA THR 17 HA THR 17 -8.711 1.696 0.815
115 HB THR 17 HB THR 17 -8.208 1.408 -2.110
116 HG1 THR 17 1HG THR 17 -6.381 1.990 -0.002
117 HG21 THR 17 3HG2 THR 17 -9.513 3.335 -1.397
118 HG22 THR 17 1HG2 THR 17 -7.947 3.872 -2.010
119 HG23 THR 17 2HG2 THR 17 -8.237 3.805 -0.273
120 H ARG 18 H ARG 18 -10.859 1.815 0.804
121 HA ARG 18 HA ARG 18 -13.075 1.472 0.456
122 HB2 ARG 18 2HB ARG 18 -12.157 0.985 -2.348
123 HB3 ARG 18 1HB ARG 18 -13.835 1.227 -1.868
124 HG2 ARG 18 2HG ARG 18 -11.620 3.249 -1.557
125 HG3 ARG 18 1HG ARG 18 -12.853 3.274 -2.818
126 HD2 ARG 18 2HD ARG 18 -14.589 3.537 -1.152
127 HD3 ARG 18 1HD ARG 18 -13.400 3.410 0.144
128 HE ARG 18 HE ARG 18 -12.847 5.497 -1.709
129 HH11 ARG 18 1HH1 ARG 18 -14.638 4.643 1.234
130 HH12 ARG 18 2HH1 ARG 18 -14.735 6.237 1.811
131 HH21 ARG 18 1HH2 ARG 18 -12.983 7.717 -0.886
132 HH22 ARG 18 2HH2 ARG 18 -13.837 7.997 0.566
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -10.387 0.613 0.463
2 HA2 GLY 1 2HA GLY 1 -11.927 -0.671 1.793
3 HA3 GLY 1 1HA GLY 1 -13.066 -0.602 0.457
4 H ASP 2 H ASP 2 -10.346 -1.186 -1.122
5 HA ASP 2 HA ASP 2 -10.656 -4.098 -0.857
6 HB2 ASP 2 2HB ASP 2 -11.708 -3.193 -2.918
7 HB3 ASP 2 1HB ASP 2 -10.159 -2.503 -3.378
8 H CYS 3 H CYS 3 -8.731 -5.288 -0.933
9 HA CYS 3 HA CYS 3 -6.493 -3.559 -0.426
10 HB2 CYS 3 2HB CYS 3 -6.728 -6.456 0.264
11 HB3 CYS 3 1HB CYS 3 -5.462 -5.353 0.789
12 H ARG 4 H ARG 4 -4.589 -3.570 -1.354
13 HA ARG 4 HA ARG 4 -4.143 -5.288 -3.695
14 HB2 ARG 4 2HB ARG 4 -3.932 -2.273 -3.742
15 HB3 ARG 4 1HB ARG 4 -3.607 -3.383 -5.062
16 HG2 ARG 4 2HG ARG 4 -5.994 -3.992 -5.093
17 HG3 ARG 4 1HG ARG 4 -6.287 -2.783 -3.839
18 HD2 ARG 4 2HD ARG 4 -5.177 -2.296 -6.589
19 HD3 ARG 4 1HD ARG 4 -6.791 -1.861 -6.020
20 HE ARG 4 HE ARG 4 -5.140 -0.592 -4.300
21 HH11 ARG 4 1HH1 ARG 4 -5.376 -0.658 -7.843
22 HH12 ARG 4 2HH1 ARG 4 -4.777 0.921 -8.047
23 HH21 ARG 4 1HH2 ARG 4 -4.273 1.612 -4.601
24 HH22 ARG 4 2HH2 ARG 4 -4.150 2.234 -6.163
25 H CYS 5 H CYS 5 -1.833 -4.726 -4.520
26 HA CYS 5 HA CYS 5 -0.348 -4.209 -2.119
27 HB2 CYS 5 2HB CYS 5 0.565 -6.000 -4.337
28 HB3 CYS 5 1HB CYS 5 1.332 -5.745 -2.775
29 H LEU 6 H LEU 6 1.199 -2.867 -2.015
30 HA LEU 6 HA LEU 6 1.713 -1.194 -4.386
31 HB2 LEU 6 2HB LEU 6 1.460 -0.357 -1.496
32 HB3 LEU 6 1HB LEU 6 1.792 0.703 -2.847
33 HG LEU 6 HG LEU 6 -0.791 -0.790 -2.377
34 HD11 LEU 6 1HD1 LEU 6 -0.433 1.007 -0.775
35 HD12 LEU 6 2HD1 LEU 6 -1.721 1.413 -1.906
36 HD13 LEU 6 3HD1 LEU 6 -0.117 2.130 -2.093
37 HD21 LEU 6 3HD2 LEU 6 -0.050 1.248 -4.474
38 HD22 LEU 6 1HD2 LEU 6 -1.656 0.562 -4.229
39 HD23 LEU 6 2HD2 LEU 6 -0.324 -0.465 -4.758
40 H CYS 7 H CYS 7 3.852 -0.083 -4.177
41 HA CYS 7 HA CYS 7 5.535 -1.654 -2.443
42 HB2 CYS 7 2HB CYS 7 6.359 -0.469 -5.101
43 HB3 CYS 7 1HB CYS 7 7.357 -1.476 -4.057
44 H ARG 8 H ARG 8 6.900 -0.737 -1.150
45 HA ARG 8 HA ARG 8 6.836 2.179 -1.003
46 HB2 ARG 8 2HB ARG 8 5.696 0.818 0.794
47 HB3 ARG 8 1HB ARG 8 7.271 0.170 1.199
48 HG2 ARG 8 2HG ARG 8 8.057 2.385 1.806
49 HG3 ARG 8 1HG ARG 8 6.509 3.080 1.327
50 HD2 ARG 8 2HD ARG 8 6.989 1.114 3.568
51 HD3 ARG 8 1HD ARG 8 6.533 2.806 3.724
52 HE ARG 8 HE ARG 8 4.675 1.248 2.182
53 HH11 ARG 8 1HH1 ARG 8 5.501 2.261 5.468
54 HH12 ARG 8 2HH1 ARG 8 3.949 1.971 6.093
55 HH21 ARG 8 1HH2 ARG 8 2.587 0.819 3.020
56 HH22 ARG 8 2HH2 ARG 8 2.224 1.105 4.670
57 H ARG 9 H ARG 9 8.672 2.650 -2.081
58 HA ARG 9 HA ARG 9 10.866 3.044 -2.475
59 HB2 ARG 9 2HB ARG 9 11.267 1.906 0.278
60 HB3 ARG 9 1HB ARG 9 12.489 2.757 -0.653
61 HG2 ARG 9 2HG ARG 9 11.084 4.774 -0.605
62 HG3 ARG 9 1HG ARG 9 9.919 3.910 0.403
63 HD2 ARG 9 2HD ARG 9 11.690 3.518 2.067
64 HD3 ARG 9 1HD ARG 9 12.805 4.440 1.070
65 HE ARG 9 HE ARG 9 10.673 6.096 1.504
66 HH11 ARG 9 1HH1 ARG 9 13.046 4.437 3.548
67 HH12 ARG 9 2HH1 ARG 9 13.006 5.619 4.762
68 HH21 ARG 9 1HH2 ARG 9 10.605 7.676 3.189
69 HH22 ARG 9 2HH2 ARG 9 11.579 7.507 4.570
70 H GLY 10 H GLY 10 9.685 0.278 -2.875
71 HA2 GLY 10 2HA GLY 10 10.953 -1.230 -4.384
72 HA3 GLY 10 1HA GLY 10 12.252 -1.158 -3.205
73 H ASP 11 H ASP 11 10.215 -1.295 -0.994
74 HA ASP 11 HA ASP 11 9.978 -4.192 -0.921
75 HB2 ASP 11 2HB ASP 11 10.740 -3.135 1.121
76 HB3 ASP 11 1HB ASP 11 9.384 -2.019 1.093
77 H CYS 12 H CYS 12 8.249 -5.093 -1.815
78 HA CYS 12 HA CYS 12 5.865 -3.470 -1.979
79 HB2 CYS 12 2HB CYS 12 6.291 -6.150 -3.188
80 HB3 CYS 12 1HB CYS 12 4.972 -5.057 -3.524
81 H ARG 13 H ARG 13 4.190 -3.685 -1.031
82 HA ARG 13 HA ARG 13 3.759 -5.911 0.796
83 HB2 ARG 13 2HB ARG 13 5.351 -4.264 1.846
84 HB3 ARG 13 1HB ARG 13 4.047 -3.089 1.815
85 HG2 ARG 13 2HG ARG 13 2.826 -4.238 3.422
86 HG3 ARG 13 1HG ARG 13 3.743 -5.730 3.172
87 HD2 ARG 13 2HD ARG 13 4.793 -3.169 4.362
88 HD3 ARG 13 1HD ARG 13 4.449 -4.661 5.239
89 HE ARG 13 HE ARG 13 6.629 -4.232 3.300
90 HH11 ARG 13 1HH1 ARG 13 5.164 -6.295 5.795
91 HH12 ARG 13 2HH1 ARG 13 6.525 -7.297 5.959
92 HH21 ARG 13 1HH2 ARG 13 8.435 -5.599 3.471
93 HH22 ARG 13 2HH2 ARG 13 8.471 -6.879 4.606
94 H CYS 14 H CYS 14 1.583 -5.950 1.590
95 HA CYS 14 HA CYS 14 -0.042 -4.513 -0.271
96 HB2 CYS 14 2HB CYS 14 -0.868 -6.863 1.415
97 HB3 CYS 14 1HB CYS 14 -1.740 -6.196 0.029
98 H ILE 15 H ILE 15 -1.578 -3.155 0.038
99 HA ILE 15 HA ILE 15 -2.177 -2.213 2.749
100 HB ILE 15 HB ILE 15 -1.300 -0.538 0.364
101 HG12 ILE 15 2HG1 ILE 15 0.618 -1.536 1.486
102 HG13 ILE 15 1HG1 ILE 15 0.588 0.203 1.753
103 HG21 ILE 15 1HG2 ILE 15 -3.056 0.639 1.548
104 HG22 ILE 15 2HG2 ILE 15 -1.509 1.451 1.779
105 HG23 ILE 15 3HG2 ILE 15 -2.179 0.460 3.070
106 HD11 ILE 15 3HD1 ILE 15 -0.253 -1.916 3.728
107 HD12 ILE 15 1HD1 ILE 15 -0.315 -0.171 4.004
108 HD13 ILE 15 2HD1 ILE 15 1.236 -0.972 3.764
109 H CYS 16 H CYS 16 -4.285 -1.168 2.768
110 HA CYS 16 HA CYS 16 -5.806 -2.038 0.483
111 HB2 CYS 16 2HB CYS 16 -6.880 -1.280 3.196
112 HB3 CYS 16 1HB CYS 16 -7.780 -2.054 1.889
113 H THR 17 H THR 17 -7.246 -0.811 -0.674
114 HA THR 17 HA THR 17 -7.075 2.075 -0.238
115 HB THR 17 HB THR 17 -6.845 0.792 -2.929
116 HG1 THR 17 1HG THR 17 -4.905 1.115 -0.967
117 HG21 THR 17 3HG2 THR 17 -7.471 3.145 -2.893
118 HG22 THR 17 1HG2 THR 17 -5.846 2.968 -3.554
119 HG23 THR 17 2HG2 THR 17 -6.069 3.520 -1.892
120 H ARG 18 H ARG 18 -9.067 2.886 -0.434
121 HA ARG 18 HA ARG 18 -11.259 3.178 -0.809
122 HB2 ARG 18 2HB ARG 18 -10.497 1.713 -3.288
123 HB3 ARG 18 1HB ARG 18 -12.077 2.460 -3.062
124 HG2 ARG 18 2HG ARG 18 -11.098 4.631 -2.837
125 HG3 ARG 18 1HG ARG 18 -9.474 3.949 -2.856
126 HD2 ARG 18 2HD ARG 18 -9.739 3.270 -5.146
127 HD3 ARG 18 1HD ARG 18 -11.429 3.791 -5.136
128 HE ARG 18 HE ARG 18 -10.539 6.041 -4.669
129 HH11 ARG 18 1HH1 ARG 18 -8.557 3.732 -6.499
130 HH12 ARG 18 2HH1 ARG 18 -7.677 4.923 -7.311
131 HH21 ARG 18 1HH2 ARG 18 -9.311 7.687 -5.777
132 HH22 ARG 18 2HH2 ARG 18 -8.125 7.225 -6.903
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -11.648 -1.151 0.788
2 HA2 GLY 1 2HA GLY 1 -12.768 -3.164 0.162
3 HA3 GLY 1 1HA GLY 1 -13.744 -2.231 -0.960
4 H ASP 2 H ASP 2 -10.706 -1.142 -1.417
5 HA ASP 2 HA ASP 2 -10.175 -3.209 -3.429
6 HB2 ASP 2 2HB ASP 2 -10.786 -1.070 -4.487
7 HB3 ASP 2 1HB ASP 2 -9.524 -0.260 -3.562
8 H CYS 3 H CYS 3 -8.346 -4.257 -3.167
9 HA CYS 3 HA CYS 3 -6.466 -3.122 -1.271
10 HB2 CYS 3 2HB CYS 3 -6.781 -5.978 -2.113
11 HB3 CYS 3 1HB CYS 3 -5.611 -5.374 -0.954
12 H ARG 4 H ARG 4 -4.476 -2.790 -1.712
13 HA ARG 4 HA ARG 4 -3.466 -3.558 -4.362
14 HB2 ARG 4 2HB ARG 4 -3.440 -0.730 -3.290
15 HB3 ARG 4 1HB ARG 4 -2.589 -1.266 -4.729
16 HG2 ARG 4 2HG ARG 4 -4.701 -1.800 -5.797
17 HG3 ARG 4 1HG ARG 4 -5.573 -1.346 -4.336
18 HD2 ARG 4 2HD ARG 4 -3.902 0.479 -6.060
19 HD3 ARG 4 1HD ARG 4 -5.659 0.423 -6.005
20 HE ARG 4 HE ARG 4 -3.858 1.468 -3.966
21 HH11 ARG 4 1HH1 ARG 4 -7.232 0.717 -4.794
22 HH12 ARG 4 2HH1 ARG 4 -7.898 2.047 -3.995
23 HH21 ARG 4 1HH2 ARG 4 -4.772 3.301 -2.801
24 HH22 ARG 4 2HH2 ARG 4 -6.452 3.563 -2.810
25 H CYS 5 H CYS 5 -1.382 -4.171 -4.293
26 HA CYS 5 HA CYS 5 0.023 -3.548 -1.855
27 HB2 CYS 5 2HB CYS 5 0.719 -5.551 -3.966
28 HB3 CYS 5 1HB CYS 5 1.692 -5.226 -2.551
29 H LEU 6 H LEU 6 1.397 -2.240 -1.805
30 HA LEU 6 HA LEU 6 2.319 -0.908 -4.278
31 HB2 LEU 6 2HB LEU 6 0.999 0.516 -2.816
32 HB3 LEU 6 1HB LEU 6 2.051 0.147 -1.469
33 HG LEU 6 HG LEU 6 3.903 1.303 -2.649
34 HD11 LEU 6 1HD1 LEU 6 1.758 2.105 -4.604
35 HD12 LEU 6 2HD1 LEU 6 3.149 1.068 -4.937
36 HD13 LEU 6 3HD1 LEU 6 3.390 2.765 -4.535
37 HD21 LEU 6 3HD2 LEU 6 3.063 3.568 -2.237
38 HD22 LEU 6 1HD2 LEU 6 2.593 2.454 -0.955
39 HD23 LEU 6 2HD2 LEU 6 1.419 2.938 -2.176
40 H CYS 7 H CYS 7 4.321 -1.654 -4.782
41 HA CYS 7 HA CYS 7 6.100 -2.050 -2.562
42 HB2 CYS 7 2HB CYS 7 6.524 -2.684 -5.500
43 HB3 CYS 7 1HB CYS 7 7.689 -3.025 -4.224
44 H ARG 8 H ARG 8 7.373 -0.590 -1.908
45 HA ARG 8 HA ARG 8 7.915 1.696 -3.646
46 HB2 ARG 8 2HB ARG 8 6.395 2.126 -1.736
47 HB3 ARG 8 1HB ARG 8 7.654 1.577 -0.641
48 HG2 ARG 8 2HG ARG 8 9.075 3.440 -1.396
49 HG3 ARG 8 1HG ARG 8 7.766 4.004 -2.426
50 HD2 ARG 8 2HD ARG 8 7.723 5.241 -0.349
51 HD3 ARG 8 1HD ARG 8 6.310 4.188 -0.443
52 HE ARG 8 HE ARG 8 8.665 3.229 0.973
53 HH11 ARG 8 1HH1 ARG 8 5.362 4.492 1.188
54 HH12 ARG 8 2HH1 ARG 8 5.118 3.983 2.780
55 HH21 ARG 8 1HH2 ARG 8 8.340 2.545 3.171
56 HH22 ARG 8 2HH2 ARG 8 6.865 2.860 3.967
57 H ARG 9 H ARG 9 9.920 1.326 -4.370
58 HA ARG 9 HA ARG 9 12.159 1.059 -4.456
59 HB2 ARG 9 2HB ARG 9 11.790 1.963 -1.681
60 HB3 ARG 9 1HB ARG 9 13.407 1.568 -2.261
61 HG2 ARG 9 2HG ARG 9 11.585 3.628 -3.529
62 HG3 ARG 9 1HG ARG 9 12.893 4.012 -2.405
63 HD2 ARG 9 2HD ARG 9 13.182 2.678 -5.115
64 HD3 ARG 9 1HD ARG 9 13.653 4.322 -4.689
65 HE ARG 9 HE ARG 9 15.005 2.860 -2.902
66 HH11 ARG 9 1HH1 ARG 9 14.871 2.589 -6.484
67 HH12 ARG 9 2HH1 ARG 9 16.443 1.942 -6.578
68 HH21 ARG 9 1HH2 ARG 9 17.165 1.999 -3.141
69 HH22 ARG 9 2HH2 ARG 9 17.754 1.608 -4.686
70 H GLY 10 H GLY 10 10.502 -1.110 -3.799
71 HA2 GLY 10 2HA GLY 10 11.309 -3.386 -3.938
72 HA3 GLY 10 1HA GLY 10 12.638 -2.914 -2.891
73 H ASP 11 H ASP 11 10.548 -1.401 -1.208
74 HA ASP 11 HA ASP 11 9.973 -3.745 0.407
75 HB2 ASP 11 2HB ASP 11 10.976 -1.786 1.533
76 HB3 ASP 11 1HB ASP 11 9.583 -0.816 1.051
77 H CYS 12 H CYS 12 8.057 -4.677 0.332
78 HA CYS 12 HA CYS 12 6.002 -3.164 -1.025
79 HB2 CYS 12 2HB CYS 12 6.032 -6.090 -0.530
80 HB3 CYS 12 1HB CYS 12 4.884 -5.211 -1.502
81 H ARG 13 H ARG 13 4.404 -2.561 -0.330
82 HA ARG 13 HA ARG 13 3.573 -3.245 2.426
83 HB2 ARG 13 2HB ARG 13 4.340 -0.922 2.196
84 HB3 ARG 13 1HB ARG 13 3.216 -0.668 0.877
85 HG2 ARG 13 2HG ARG 13 2.311 0.346 2.846
86 HG3 ARG 13 1HG ARG 13 1.339 -1.073 2.459
87 HD2 ARG 13 2HD ARG 13 1.762 -0.932 4.853
88 HD3 ARG 13 1HD ARG 13 2.551 -2.353 4.167
89 HE ARG 13 HE ARG 13 4.407 -0.328 4.091
90 HH11 ARG 13 1HH1 ARG 13 2.616 -2.044 6.654
91 HH12 ARG 13 2HH1 ARG 13 3.857 -1.853 7.785
92 HH21 ARG 13 1HH2 ARG 13 6.063 -0.077 5.668
93 HH22 ARG 13 2HH2 ARG 13 5.865 -0.714 7.245
94 H CYS 14 H CYS 14 1.757 -4.455 2.312
95 HA CYS 14 HA CYS 14 0.027 -3.916 0.079
96 HB2 CYS 14 2HB CYS 14 0.059 -6.277 1.974
97 HB3 CYS 14 1HB CYS 14 -1.209 -6.022 0.777
98 H ILE 15 H ILE 15 -1.804 -2.842 0.315
99 HA ILE 15 HA ILE 15 -2.857 -2.501 3.002
100 HB ILE 15 HB ILE 15 -1.367 -0.611 2.713
101 HG12 ILE 15 2HG1 ILE 15 -4.255 0.247 2.337
102 HG13 ILE 15 1HG1 ILE 15 -3.479 -0.145 3.864
103 HG21 ILE 15 1HG2 ILE 15 -2.807 -0.038 0.133
104 HG22 ILE 15 2HG2 ILE 15 -1.135 -0.576 0.320
105 HG23 ILE 15 3HG2 ILE 15 -1.615 1.020 0.892
106 HD11 ILE 15 3HD1 ILE 15 -3.719 2.247 3.554
107 HD12 ILE 15 1HD1 ILE 15 -2.772 2.157 2.073
108 HD13 ILE 15 2HD1 ILE 15 -2.018 1.781 3.623
109 H CYS 16 H CYS 16 -5.051 -2.093 3.058
110 HA CYS 16 HA CYS 16 -6.352 -2.274 0.480
111 HB2 CYS 16 2HB CYS 16 -7.338 -3.249 3.172
112 HB3 CYS 16 1HB CYS 16 -8.319 -3.222 1.715
113 H THR 17 H THR 17 -8.038 -0.823 0.062
114 HA THR 17 HA THR 17 -8.829 0.953 2.210
115 HB THR 17 HB THR 17 -7.843 2.000 -0.394
116 HG1 THR 17 1HG THR 17 -6.488 1.279 1.853
117 HG21 THR 17 3HG2 THR 17 -8.666 3.373 2.162
118 HG22 THR 17 1HG2 THR 17 -9.460 3.456 0.593
119 HG23 THR 17 2HG2 THR 17 -7.881 4.213 0.822
120 H ARG 18 H ARG 18 -10.853 1.100 2.113
121 HA ARG 18 HA ARG 18 -13.039 1.178 1.533
122 HB2 ARG 18 2HB ARG 18 -11.815 2.455 -0.826
123 HB3 ARG 18 1HB ARG 18 -13.552 2.536 -0.479
124 HG2 ARG 18 2HG ARG 18 -13.100 3.646 1.625
125 HG3 ARG 18 1HG ARG 18 -11.366 3.525 1.351
126 HD2 ARG 18 2HD ARG 18 -11.640 4.956 -0.642
127 HD3 ARG 18 1HD ARG 18 -13.357 5.109 -0.247
128 HE ARG 18 HE ARG 18 -11.982 5.801 2.016
129 HH11 ARG 18 1HH1 ARG 18 -12.279 7.047 -1.277
130 HH12 ARG 18 2HH1 ARG 18 -11.940 8.663 -0.854
131 HH21 ARG 18 1HH2 ARG 18 -11.532 8.053 2.606
132 HH22 ARG 18 2HH2 ARG 18 -11.538 9.235 1.375
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -11.545 -0.982 1.106
2 HA2 GLY 1 2HA GLY 1 -12.345 -3.117 1.781
3 HA3 GLY 1 1HA GLY 1 -13.571 -3.018 0.528
4 H ASP 2 H ASP 2 -11.003 -1.870 -1.030
5 HA ASP 2 HA ASP 2 -10.320 -4.550 -2.009
6 HB2 ASP 2 2HB ASP 2 -11.490 -3.104 -3.662
7 HB3 ASP 2 1HB ASP 2 -10.207 -1.911 -3.490
8 H CYS 3 H CYS 3 -8.189 -5.075 -2.188
9 HA CYS 3 HA CYS 3 -6.466 -3.162 -0.901
10 HB2 CYS 3 2HB CYS 3 -6.054 -6.110 -1.226
11 HB3 CYS 3 1HB CYS 3 -4.962 -5.020 -0.396
12 H ARG 4 H ARG 4 -4.766 -2.403 -1.746
13 HA ARG 4 HA ARG 4 -4.113 -3.165 -4.515
14 HB2 ARG 4 2HB ARG 4 -3.636 -0.461 -3.226
15 HB3 ARG 4 1HB ARG 4 -3.455 -0.879 -4.920
16 HG2 ARG 4 2HG ARG 4 -6.011 -0.526 -3.357
17 HG3 ARG 4 1HG ARG 4 -5.413 0.453 -4.693
18 HD2 ARG 4 2HD ARG 4 -6.401 -2.396 -4.817
19 HD3 ARG 4 1HD ARG 4 -7.202 -0.971 -5.464
20 HE ARG 4 HE ARG 4 -4.701 -1.129 -6.649
21 HH11 ARG 4 1HH1 ARG 4 -7.737 -2.984 -6.589
22 HH12 ARG 4 2HH1 ARG 4 -7.465 -3.670 -8.137
23 HH21 ARG 4 1HH2 ARG 4 -4.365 -2.136 -8.749
24 HH22 ARG 4 2HH2 ARG 4 -5.565 -3.200 -9.350
25 H CYS 5 H CYS 5 -1.765 -3.172 -4.928
26 HA CYS 5 HA CYS 5 -0.353 -3.145 -2.427
27 HB2 CYS 5 2HB CYS 5 0.122 -5.003 -4.728
28 HB3 CYS 5 1HB CYS 5 1.122 -4.909 -3.288
29 H LEU 6 H LEU 6 1.559 -2.263 -2.263
30 HA LEU 6 HA LEU 6 2.393 -0.564 -4.506
31 HB2 LEU 6 2HB LEU 6 1.139 0.650 -2.772
32 HB3 LEU 6 1HB LEU 6 2.221 0.032 -1.551
33 HG LEU 6 HG LEU 6 4.075 1.307 -2.634
34 HD11 LEU 6 1HD1 LEU 6 1.848 2.563 -4.212
35 HD12 LEU 6 2HD1 LEU 6 3.031 1.441 -4.861
36 HD13 LEU 6 3HD1 LEU 6 3.556 3.011 -4.244
37 HD21 LEU 6 3HD2 LEU 6 2.935 2.196 -0.689
38 HD22 LEU 6 1HD2 LEU 6 1.668 2.874 -1.723
39 HD23 LEU 6 2HD2 LEU 6 3.312 3.491 -1.830
40 H CYS 7 H CYS 7 4.671 -0.372 -4.670
41 HA CYS 7 HA CYS 7 6.127 -1.797 -2.634
42 HB2 CYS 7 2HB CYS 7 6.623 -2.040 -5.618
43 HB3 CYS 7 1HB CYS 7 7.723 -2.653 -4.396
44 H ARG 8 H ARG 8 7.790 -0.563 -1.849
45 HA ARG 8 HA ARG 8 8.868 1.496 -3.576
46 HB2 ARG 8 2HB ARG 8 8.763 3.175 -1.768
47 HB3 ARG 8 1HB ARG 8 7.174 2.665 -2.314
48 HG2 ARG 8 2HG ARG 8 7.012 1.193 -0.339
49 HG3 ARG 8 1HG ARG 8 8.567 1.801 0.217
50 HD2 ARG 8 2HD ARG 8 6.001 3.328 -0.139
51 HD3 ARG 8 1HD ARG 8 6.858 3.009 1.362
52 HE ARG 8 HE ARG 8 8.253 4.561 -0.664
53 HH11 ARG 8 1HH1 ARG 8 6.509 4.603 2.445
54 HH12 ARG 8 2HH1 ARG 8 6.945 6.197 2.815
55 HH21 ARG 8 1HH2 ARG 8 8.782 6.773 -0.149
56 HH22 ARG 8 2HH2 ARG 8 8.282 7.437 1.344
57 H ARG 9 H ARG 9 10.944 1.445 -3.628
58 HA ARG 9 HA ARG 9 13.128 1.073 -3.222
59 HB2 ARG 9 2HB ARG 9 12.283 1.222 -0.355
60 HB3 ARG 9 1HB ARG 9 13.963 1.226 -0.888
61 HG2 ARG 9 2HG ARG 9 13.474 3.290 -2.199
62 HG3 ARG 9 1HG ARG 9 11.870 3.304 -1.486
63 HD2 ARG 9 2HD ARG 9 13.364 4.823 -0.307
64 HD3 ARG 9 1HD ARG 9 12.835 3.508 0.734
65 HE ARG 9 HE ARG 9 15.107 2.513 -0.071
66 HH11 ARG 9 1HH1 ARG 9 14.475 5.879 0.817
67 HH12 ARG 9 2HH1 ARG 9 16.012 6.138 1.486
68 HH21 ARG 9 1HH2 ARG 9 17.171 2.840 0.839
69 HH22 ARG 9 2HH2 ARG 9 17.599 4.359 1.520
70 H GLY 10 H GLY 10 11.169 -1.110 -3.286
71 HA2 GLY 10 2HA GLY 10 11.814 -3.389 -3.690
72 HA3 GLY 10 1HA GLY 10 13.022 -3.220 -2.418
73 H ASP 11 H ASP 11 10.774 -1.695 -0.966
74 HA ASP 11 HA ASP 11 9.867 -4.024 0.480
75 HB2 ASP 11 2HB ASP 11 10.698 -2.185 1.802
76 HB3 ASP 11 1HB ASP 11 9.606 -1.063 1.006
77 H CYS 12 H CYS 12 8.145 -5.004 -0.282
78 HA CYS 12 HA CYS 12 6.054 -3.372 -1.461
79 HB2 CYS 12 2HB CYS 12 6.332 -6.341 -1.441
80 HB3 CYS 12 1HB CYS 12 5.000 -5.473 -2.161
81 H ARG 13 H ARG 13 4.314 -3.080 -0.726
82 HA ARG 13 HA ARG 13 3.341 -4.497 1.673
83 HB2 ARG 13 2HB ARG 13 4.699 -2.544 2.439
84 HB3 ARG 13 1HB ARG 13 3.591 -1.490 1.581
85 HG2 ARG 13 2HG ARG 13 1.773 -2.163 3.010
86 HG3 ARG 13 1HG ARG 13 2.813 -3.310 3.851
87 HD2 ARG 13 2HD ARG 13 2.659 -1.332 5.184
88 HD3 ARG 13 1HD ARG 13 4.280 -1.399 4.489
89 HE ARG 13 HE ARG 13 2.092 0.305 3.521
90 HH11 ARG 13 1HH1 ARG 13 5.595 -0.281 3.790
91 HH12 ARG 13 2HH1 ARG 13 6.010 1.318 3.398
92 HH21 ARG 13 1HH2 ARG 13 2.690 2.455 2.958
93 HH22 ARG 13 2HH2 ARG 13 4.315 2.936 2.903
94 H CYS 14 H CYS 14 1.106 -4.644 1.716
95 HA CYS 14 HA CYS 14 -0.172 -3.284 -0.486
96 HB2 CYS 14 2HB CYS 14 -1.182 -5.645 1.117
97 HB3 CYS 14 1HB CYS 14 -2.005 -4.920 -0.262
98 H ILE 15 H ILE 15 -1.982 -2.067 -0.273
99 HA ILE 15 HA ILE 15 -2.690 -1.282 2.454
100 HB ILE 15 HB ILE 15 -1.289 0.499 1.510
101 HG12 ILE 15 2HG1 ILE 15 -4.212 1.322 1.461
102 HG13 ILE 15 1HG1 ILE 15 -3.212 1.191 2.900
103 HG21 ILE 15 1HG2 ILE 15 -3.186 0.559 -0.834
104 HG22 ILE 15 2HG2 ILE 15 -1.508 0.025 -0.849
105 HG23 ILE 15 3HG2 ILE 15 -1.889 1.720 -0.536
106 HD11 ILE 15 3HD1 ILE 15 -3.485 3.509 2.202
107 HD12 ILE 15 1HD1 ILE 15 -2.798 3.126 0.627
108 HD13 ILE 15 2HD1 ILE 15 -1.798 3.009 2.074
109 H CYS 16 H CYS 16 -4.877 -1.144 2.804
110 HA CYS 16 HA CYS 16 -6.467 -1.787 0.458
111 HB2 CYS 16 2HB CYS 16 -7.154 -2.400 3.332
112 HB3 CYS 16 1HB CYS 16 -8.002 -2.955 1.895
113 H THR 17 H THR 17 -8.237 -0.714 -0.088
114 HA THR 17 HA THR 17 -9.202 1.411 1.639
115 HB THR 17 HB THR 17 -8.352 2.030 -1.200
116 HG1 THR 17 1HG THR 17 -6.898 1.944 1.163
117 HG21 THR 17 3HG2 THR 17 -10.059 3.499 -0.194
118 HG22 THR 17 1HG2 THR 17 -8.544 4.367 -0.445
119 HG23 THR 17 2HG2 THR 17 -8.986 3.803 1.165
120 H ARG 18 H ARG 18 -11.345 1.716 1.293
121 HA ARG 18 HA ARG 18 -13.466 1.388 0.689
122 HB2 ARG 18 2HB ARG 18 -12.397 0.977 -2.111
123 HB3 ARG 18 1HB ARG 18 -14.060 1.326 -1.655
124 HG2 ARG 18 2HG ARG 18 -11.709 3.173 -1.277
125 HG3 ARG 18 1HG ARG 18 -12.935 3.311 -2.528
126 HD2 ARG 18 2HD ARG 18 -14.645 3.682 -0.837
127 HD3 ARG 18 1HD ARG 18 -13.449 3.479 0.447
128 HE ARG 18 HE ARG 18 -12.706 5.496 -1.405
129 HH11 ARG 18 1HH1 ARG 18 -14.762 4.942 1.403
130 HH12 ARG 18 2HH1 ARG 18 -14.797 6.576 1.874
131 HH21 ARG 18 1HH2 ARG 18 -12.748 7.703 -0.757
132 HH22 ARG 18 2HH2 ARG 18 -13.624 8.175 0.631
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -11.107 -2.312 1.291
2 HA2 GLY 1 2HA GLY 1 -11.916 -4.660 1.089
3 HA3 GLY 1 1HA GLY 1 -13.110 -4.027 -0.029
4 H ASP 2 H ASP 2 -10.742 -2.191 -0.988
5 HA ASP 2 HA ASP 2 -9.828 -4.191 -2.926
6 HB2 ASP 2 2HB ASP 2 -10.984 -2.257 -3.916
7 HB3 ASP 2 1HB ASP 2 -9.852 -1.166 -3.124
8 H CYS 3 H CYS 3 -7.780 -4.857 -2.771
9 HA CYS 3 HA CYS 3 -6.062 -3.114 -1.245
10 HB2 CYS 3 2HB CYS 3 -5.711 -5.976 -1.914
11 HB3 CYS 3 1HB CYS 3 -4.461 -5.037 -1.145
12 H ARG 4 H ARG 4 -4.828 -2.016 -2.133
13 HA ARG 4 HA ARG 4 -3.861 -2.584 -4.867
14 HB2 ARG 4 2HB ARG 4 -5.414 -0.563 -4.384
15 HB3 ARG 4 1HB ARG 4 -4.024 0.145 -3.591
16 HG2 ARG 4 2HG ARG 4 -4.245 0.997 -5.847
17 HG3 ARG 4 1HG ARG 4 -2.770 0.046 -5.686
18 HD2 ARG 4 2HD ARG 4 -4.065 -0.382 -7.786
19 HD3 ARG 4 1HD ARG 4 -3.749 -1.820 -6.823
20 HE ARG 4 HE ARG 4 -6.191 -1.151 -5.955
21 HH11 ARG 4 1HH1 ARG 4 -5.020 -1.243 -9.291
22 HH12 ARG 4 2HH1 ARG 4 -6.485 -1.836 -9.926
23 HH21 ARG 4 1HH2 ARG 4 -8.146 -1.981 -6.802
24 HH22 ARG 4 2HH2 ARG 4 -8.297 -2.304 -8.480
25 H CYS 5 H CYS 5 -1.853 -3.412 -4.556
26 HA CYS 5 HA CYS 5 -0.338 -2.394 -2.327
27 HB2 CYS 5 2HB CYS 5 0.268 -4.796 -4.022
28 HB3 CYS 5 1HB CYS 5 1.095 -4.328 -2.545
29 H LEU 6 H LEU 6 1.445 -1.429 -2.355
30 HA LEU 6 HA LEU 6 2.599 -0.670 -4.972
31 HB2 LEU 6 2HB LEU 6 2.237 1.096 -2.541
32 HB3 LEU 6 1HB LEU 6 3.008 1.573 -4.040
33 HG LEU 6 HG LEU 6 0.086 0.852 -3.760
34 HD11 LEU 6 1HD1 LEU 6 1.420 3.531 -4.050
35 HD12 LEU 6 2HD1 LEU 6 0.622 2.920 -2.601
36 HD13 LEU 6 3HD1 LEU 6 -0.319 3.237 -4.060
37 HD21 LEU 6 3HD2 LEU 6 1.635 2.012 -6.081
38 HD22 LEU 6 1HD2 LEU 6 -0.113 1.793 -6.014
39 HD23 LEU 6 2HD2 LEU 6 0.948 0.388 -5.991
40 H CYS 7 H CYS 7 4.882 -0.624 -4.994
41 HA CYS 7 HA CYS 7 6.025 -1.554 -2.488
42 HB2 CYS 7 2HB CYS 7 6.941 -2.320 -5.267
43 HB3 CYS 7 1HB CYS 7 7.628 -2.905 -3.756
44 H ARG 8 H ARG 8 8.060 -0.845 -1.886
45 HA ARG 8 HA ARG 8 9.186 1.388 -3.413
46 HB2 ARG 8 2HB ARG 8 7.685 2.079 -1.485
47 HB3 ARG 8 1HB ARG 8 8.807 1.241 -0.432
48 HG2 ARG 8 2HG ARG 8 9.390 3.500 -0.239
49 HG3 ARG 8 1HG ARG 8 10.590 2.835 -1.342
50 HD2 ARG 8 2HD ARG 8 8.091 4.260 -2.247
51 HD3 ARG 8 1HD ARG 8 9.625 5.075 -1.992
52 HE ARG 8 HE ARG 8 10.442 3.348 -3.713
53 HH11 ARG 8 1HH1 ARG 8 7.223 4.871 -3.805
54 HH12 ARG 8 2HH1 ARG 8 7.183 4.951 -5.499
55 HH21 ARG 8 1HH2 ARG 8 10.335 3.468 -6.029
56 HH22 ARG 8 2HH2 ARG 8 8.962 4.139 -6.793
57 H ARG 9 H ARG 9 11.089 0.417 -3.996
58 HA ARG 9 HA ARG 9 13.226 -0.335 -3.850
59 HB2 ARG 9 2HB ARG 9 12.886 0.299 -0.945
60 HB3 ARG 9 1HB ARG 9 14.429 -0.111 -1.690
61 HG2 ARG 9 2HG ARG 9 14.262 1.854 -3.113
62 HG3 ARG 9 1HG ARG 9 12.706 2.249 -2.375
63 HD2 ARG 9 2HD ARG 9 13.764 2.468 -0.218
64 HD3 ARG 9 1HD ARG 9 15.322 2.028 -0.918
65 HE ARG 9 HE ARG 9 14.435 4.152 -2.373
66 HH11 ARG 9 1HH1 ARG 9 15.023 3.555 1.049
67 HH12 ARG 9 2HH1 ARG 9 15.568 5.123 1.395
68 HH21 ARG 9 1HH2 ARG 9 15.176 6.352 -1.922
69 HH22 ARG 9 2HH2 ARG 9 15.665 6.748 -0.339
70 H GLY 10 H GLY 10 10.926 -2.103 -3.302
71 HA2 GLY 10 2HA GLY 10 11.302 -4.491 -3.509
72 HA3 GLY 10 1HA GLY 10 12.554 -4.330 -2.288
73 H ASP 11 H ASP 11 10.706 -2.474 -0.656
74 HA ASP 11 HA ASP 11 9.310 -4.704 0.501
75 HB2 ASP 11 2HB ASP 11 8.904 -3.219 2.422
76 HB3 ASP 11 1HB ASP 11 10.616 -3.436 2.119
77 H CYS 12 H CYS 12 7.175 -4.905 0.526
78 HA CYS 12 HA CYS 12 5.823 -2.844 -1.015
79 HB2 CYS 12 2HB CYS 12 5.025 -5.711 -0.755
80 HB3 CYS 12 1HB CYS 12 4.211 -4.498 -1.712
81 H ARG 13 H ARG 13 4.139 -1.960 -0.440
82 HA ARG 13 HA ARG 13 2.962 -2.591 2.196
83 HB2 ARG 13 2HB ARG 13 4.121 -0.408 2.273
84 HB3 ARG 13 1HB ARG 13 3.237 0.121 0.849
85 HG2 ARG 13 2HG ARG 13 2.311 1.136 2.840
86 HG3 ARG 13 1HG ARG 13 1.143 0.012 2.141
87 HD2 ARG 13 2HD ARG 13 1.937 -1.701 3.776
88 HD3 ARG 13 1HD ARG 13 2.919 -0.451 4.530
89 HE ARG 13 HE ARG 13 0.344 0.542 4.433
90 HH11 ARG 13 1HH1 ARG 13 1.937 -2.259 5.898
91 HH12 ARG 13 2HH1 ARG 13 0.887 -2.323 7.236
92 HH21 ARG 13 1HH2 ARG 13 -1.132 0.399 6.251
93 HH22 ARG 13 2HH2 ARG 13 -0.897 -0.822 7.419
94 H CYS 14 H CYS 14 0.761 -2.855 2.184
95 HA CYS 14 HA CYS 14 -0.372 -2.431 -0.401
96 HB2 CYS 14 2HB CYS 14 -1.235 -4.339 1.752
97 HB3 CYS 14 1HB CYS 14 -2.194 -4.021 0.313
98 H ILE 15 H ILE 15 -1.979 -1.080 -0.723
99 HA ILE 15 HA ILE 15 -2.981 0.367 1.591
100 HB ILE 15 HB ILE 15 -3.162 0.991 -1.385
101 HG12 ILE 15 2HG1 ILE 15 -0.834 1.168 -0.640
102 HG13 ILE 15 1HG1 ILE 15 -1.485 2.761 -0.990
103 HG21 ILE 15 1HG2 ILE 15 -3.869 2.719 0.984
104 HG22 ILE 15 2HG2 ILE 15 -5.004 1.965 -0.132
105 HG23 ILE 15 3HG2 ILE 15 -3.911 3.224 -0.707
106 HD11 ILE 15 3HD1 ILE 15 -1.777 3.155 1.412
107 HD12 ILE 15 1HD1 ILE 15 -0.098 2.796 1.002
108 HD13 ILE 15 2HD1 ILE 15 -1.105 1.558 1.747
109 H CYS 16 H CYS 16 -4.516 -1.021 2.268
110 HA CYS 16 HA CYS 16 -6.400 -1.981 0.289
111 HB2 CYS 16 2HB CYS 16 -6.057 -2.778 3.182
112 HB3 CYS 16 1HB CYS 16 -7.273 -3.421 2.083
113 H THR 17 H THR 17 -8.024 -0.872 -0.092
114 HA THR 17 HA THR 17 -9.110 0.676 2.094
115 HB THR 17 HB THR 17 -7.873 2.139 0.883
116 HG1 THR 17 1HG THR 17 -9.401 3.637 0.849
117 HG21 THR 17 3HG2 THR 17 -8.225 2.675 -1.544
118 HG22 THR 17 1HG2 THR 17 -9.307 1.286 -1.633
119 HG23 THR 17 2HG2 THR 17 -7.602 1.051 -1.254
120 H ARG 18 H ARG 18 -10.908 0.193 2.531
121 HA ARG 18 HA ARG 18 -13.106 -0.432 2.594
122 HB2 ARG 18 2HB ARG 18 -13.128 0.662 -0.196
123 HB3 ARG 18 1HB ARG 18 -14.531 0.417 0.844
124 HG2 ARG 18 2HG ARG 18 -13.709 2.091 2.391
125 HG3 ARG 18 1HG ARG 18 -12.259 2.310 1.412
126 HD2 ARG 18 2HD ARG 18 -15.096 2.883 0.576
127 HD3 ARG 18 1HD ARG 18 -13.858 4.080 0.949
128 HE ARG 18 HE ARG 18 -13.785 2.227 -1.336
129 HH11 ARG 18 1HH1 ARG 18 -12.848 5.318 0.120
130 HH12 ARG 18 2HH1 ARG 18 -12.309 6.003 -1.336
131 HH21 ARG 18 1HH2 ARG 18 -13.032 3.199 -3.362
132 HH22 ARG 18 2HH2 ARG 18 -12.447 4.789 -3.341
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -11.246 -1.226 1.231
2 HA2 GLY 1 2HA GLY 1 -11.509 -3.474 1.986
3 HA3 GLY 1 1HA GLY 1 -12.899 -3.631 0.911
4 H ASP 2 H ASP 2 -10.983 -2.147 -1.063
5 HA ASP 2 HA ASP 2 -9.982 -4.593 -2.256
6 HB2 ASP 2 2HB ASP 2 -10.157 -1.739 -3.267
7 HB3 ASP 2 1HB ASP 2 -9.440 -3.062 -4.173
8 H CYS 3 H CYS 3 -7.984 -5.186 -1.668
9 HA CYS 3 HA CYS 3 -6.253 -3.049 -0.807
10 HB2 CYS 3 2HB CYS 3 -5.743 -5.972 -0.566
11 HB3 CYS 3 1HB CYS 3 -4.845 -4.689 0.210
12 H ARG 4 H ARG 4 -4.949 -2.251 -1.835
13 HA ARG 4 HA ARG 4 -3.985 -3.493 -4.317
14 HB2 ARG 4 2HB ARG 4 -3.621 -1.153 -5.155
15 HB3 ARG 4 1HB ARG 4 -5.300 -1.576 -4.881
16 HG2 ARG 4 2HG ARG 4 -5.036 -0.408 -2.615
17 HG3 ARG 4 1HG ARG 4 -3.535 0.247 -3.278
18 HD2 ARG 4 2HD ARG 4 -5.412 1.802 -3.566
19 HD3 ARG 4 1HD ARG 4 -4.786 1.251 -5.129
20 HE ARG 4 HE ARG 4 -6.718 -0.495 -4.764
21 HH11 ARG 4 1HH1 ARG 4 -6.917 3.018 -4.298
22 HH12 ARG 4 2HH1 ARG 4 -8.577 3.084 -4.657
23 HH21 ARG 4 1HH2 ARG 4 -8.927 -0.383 -5.249
24 HH22 ARG 4 2HH2 ARG 4 -9.736 1.126 -5.204
25 H CYS 5 H CYS 5 -1.801 -3.539 -4.722
26 HA CYS 5 HA CYS 5 -0.334 -2.946 -2.318
27 HB2 CYS 5 2HB CYS 5 0.321 -4.970 -4.435
28 HB3 CYS 5 1HB CYS 5 1.274 -4.673 -2.987
29 H LEU 6 H LEU 6 1.570 -1.947 -2.259
30 HA LEU 6 HA LEU 6 2.401 -0.499 -4.683
31 HB2 LEU 6 2HB LEU 6 2.474 0.471 -1.823
32 HB3 LEU 6 1HB LEU 6 2.932 1.379 -3.242
33 HG LEU 6 HG LEU 6 0.135 0.535 -2.500
34 HD11 LEU 6 1HD1 LEU 6 1.465 3.236 -2.488
35 HD12 LEU 6 2HD1 LEU 6 1.037 2.276 -1.076
36 HD13 LEU 6 3HD1 LEU 6 -0.232 2.911 -2.122
37 HD21 LEU 6 3HD2 LEU 6 1.129 2.197 -4.821
38 HD22 LEU 6 1HD2 LEU 6 -0.563 1.957 -4.380
39 HD23 LEU 6 2HD2 LEU 6 0.405 0.589 -4.912
40 H CYS 7 H CYS 7 4.752 0.004 -4.580
41 HA CYS 7 HA CYS 7 6.091 -1.588 -2.559
42 HB2 CYS 7 2HB CYS 7 6.944 -1.516 -5.474
43 HB3 CYS 7 1HB CYS 7 7.764 -2.382 -4.184
44 H ARG 8 H ARG 8 7.807 -0.646 -1.598
45 HA ARG 8 HA ARG 8 8.996 1.664 -2.891
46 HB2 ARG 8 2HB ARG 8 7.342 2.579 -1.274
47 HB3 ARG 8 1HB ARG 8 8.067 1.621 0.004
48 HG2 ARG 8 2HG ARG 8 10.033 2.913 0.019
49 HG3 ARG 8 1HG ARG 8 9.647 3.672 -1.523
50 HD2 ARG 8 2HD ARG 8 9.297 5.217 0.338
51 HD3 ARG 8 1HD ARG 8 7.778 4.850 -0.466
52 HE ARG 8 HE ARG 8 8.126 3.104 1.696
53 HH11 ARG 8 1HH1 ARG 8 7.506 6.558 1.110
54 HH12 ARG 8 2HH1 ARG 8 6.637 6.793 2.541
55 HH21 ARG 8 1HH2 ARG 8 6.912 3.440 3.665
56 HH22 ARG 8 2HH2 ARG 8 6.259 4.969 4.020
57 H ARG 9 H ARG 9 11.089 1.440 -2.992
58 HA ARG 9 HA ARG 9 13.228 0.802 -2.600
59 HB2 ARG 9 2HB ARG 9 12.240 0.037 0.132
60 HB3 ARG 9 1HB ARG 9 13.930 0.100 -0.325
61 HG2 ARG 9 2HG ARG 9 13.756 2.495 -0.654
62 HG3 ARG 9 1HG ARG 9 12.037 2.439 -0.254
63 HD2 ARG 9 2HD ARG 9 12.651 1.466 1.947
64 HD3 ARG 9 1HD ARG 9 14.345 1.742 1.544
65 HE ARG 9 HE ARG 9 13.525 4.149 1.245
66 HH11 ARG 9 1HH1 ARG 9 12.223 1.908 3.673
67 HH12 ARG 9 2HH1 ARG 9 12.007 3.133 4.846
68 HH21 ARG 9 1HH2 ARG 9 13.184 5.801 2.872
69 HH22 ARG 9 2HH2 ARG 9 12.548 5.361 4.383
70 H GLY 10 H GLY 10 11.013 -1.075 -3.378
71 HA2 GLY 10 2HA GLY 10 11.172 -3.245 -4.266
72 HA3 GLY 10 1HA GLY 10 12.614 -3.509 -3.285
73 H ASP 11 H ASP 11 10.571 -2.185 -1.189
74 HA ASP 11 HA ASP 11 9.740 -4.784 -0.134
75 HB2 ASP 11 2HB ASP 11 11.041 -3.115 1.272
76 HB3 ASP 11 1HB ASP 11 9.668 -2.030 1.150
77 H CYS 12 H CYS 12 7.747 -5.361 -0.814
78 HA CYS 12 HA CYS 12 5.931 -3.245 -1.558
79 HB2 CYS 12 2HB CYS 12 5.592 -6.176 -1.937
80 HB3 CYS 12 1HB CYS 12 4.574 -4.926 -2.609
81 H ARG 13 H ARG 13 4.264 -2.742 -0.723
82 HA ARG 13 HA ARG 13 3.258 -4.133 1.684
83 HB2 ARG 13 2HB ARG 13 3.795 -1.148 1.498
84 HB3 ARG 13 1HB ARG 13 3.066 -1.973 2.875
85 HG2 ARG 13 2HG ARG 13 5.075 -3.230 3.246
86 HG3 ARG 13 1HG ARG 13 5.812 -2.545 1.808
87 HD2 ARG 13 2HD ARG 13 5.739 -0.326 2.875
88 HD3 ARG 13 1HD ARG 13 5.066 -1.075 4.335
89 HE ARG 13 HE ARG 13 7.414 -2.371 3.421
90 HH11 ARG 13 1HH1 ARG 13 6.391 0.470 5.261
91 HH12 ARG 13 2HH1 ARG 13 7.777 0.522 6.246
92 HH21 ARG 13 1HH2 ARG 13 9.317 -2.299 4.714
93 HH22 ARG 13 2HH2 ARG 13 9.546 -1.116 5.902
94 H CYS 14 H CYS 14 0.966 -3.784 2.052
95 HA CYS 14 HA CYS 14 -0.204 -2.737 -0.384
96 HB2 CYS 14 2HB CYS 14 -1.328 -4.976 1.292
97 HB3 CYS 14 1HB CYS 14 -1.962 -4.399 -0.239
98 H ILE 15 H ILE 15 -1.994 -1.554 -0.347
99 HA ILE 15 HA ILE 15 -2.821 -0.606 2.287
100 HB ILE 15 HB ILE 15 -1.564 1.165 1.196
101 HG12 ILE 15 2HG1 ILE 15 -4.519 1.770 0.949
102 HG13 ILE 15 1HG1 ILE 15 -3.595 1.824 2.444
103 HG21 ILE 15 1HG2 ILE 15 -2.167 2.106 -0.974
104 HG22 ILE 15 2HG2 ILE 15 -3.398 0.856 -1.166
105 HG23 ILE 15 3HG2 ILE 15 -1.695 0.409 -1.101
106 HD11 ILE 15 3HD1 ILE 15 -3.963 4.047 1.519
107 HD12 ILE 15 1HD1 ILE 15 -3.145 3.570 0.032
108 HD13 ILE 15 2HD1 ILE 15 -2.247 3.649 1.548
109 H CYS 16 H CYS 16 -4.943 -0.694 2.691
110 HA CYS 16 HA CYS 16 -6.561 -1.721 0.527
111 HB2 CYS 16 2HB CYS 16 -7.121 -1.735 3.492
112 HB3 CYS 16 1HB CYS 16 -8.106 -2.513 2.255
113 H THR 17 H THR 17 -8.267 -0.743 -0.302
114 HA THR 17 HA THR 17 -9.276 1.646 1.040
115 HB THR 17 HB THR 17 -8.745 1.514 -1.894
116 HG1 THR 17 1HG THR 17 -6.976 1.791 0.088
117 HG21 THR 17 3HG2 THR 17 -9.244 3.832 -0.021
118 HG22 THR 17 1HG2 THR 17 -10.397 3.147 -1.167
119 HG23 THR 17 2HG2 THR 17 -8.957 3.979 -1.755
120 H ARG 18 H ARG 18 -11.384 1.457 1.090
121 HA ARG 18 HA ARG 18 -13.508 0.730 0.832
122 HB2 ARG 18 2HB ARG 18 -12.592 0.470 -2.011
123 HB3 ARG 18 1HB ARG 18 -14.250 0.197 -1.486
124 HG2 ARG 18 2HG ARG 18 -12.769 2.798 -1.127
125 HG3 ARG 18 1HG ARG 18 -13.880 2.461 -2.460
126 HD2 ARG 18 2HD ARG 18 -15.650 1.992 -0.775
127 HD3 ARG 18 1HD ARG 18 -14.540 2.507 0.486
128 HE ARG 18 HE ARG 18 -14.490 4.663 -0.934
129 HH11 ARG 18 1HH1 ARG 18 -17.357 2.621 -0.409
130 HH12 ARG 18 2HH1 ARG 18 -18.442 3.927 -0.420
131 HH21 ARG 18 1HH2 ARG 18 -16.022 6.430 -0.976
132 HH22 ARG 18 2HH2 ARG 18 -17.683 6.139 -0.752
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -11.224 -0.797 1.121
2 HA2 GLY 1 2HA GLY 1 -12.182 -2.981 1.281
3 HA3 GLY 1 1HA GLY 1 -13.394 -2.492 0.105
4 H ASP 2 H ASP 2 -10.595 -1.387 -1.163
5 HA ASP 2 HA ASP 2 -10.202 -3.848 -2.674
6 HB2 ASP 2 2HB ASP 2 -9.771 -0.943 -3.386
7 HB3 ASP 2 1HB ASP 2 -9.087 -2.256 -4.332
8 H CYS 3 H CYS 3 -8.430 -4.900 -2.127
9 HA CYS 3 HA CYS 3 -6.390 -3.390 -0.784
10 HB2 CYS 3 2HB CYS 3 -6.636 -6.331 -1.164
11 HB3 CYS 3 1HB CYS 3 -5.371 -5.552 -0.240
12 H ARG 4 H ARG 4 -4.748 -2.801 -1.588
13 HA ARG 4 HA ARG 4 -4.015 -3.700 -4.304
14 HB2 ARG 4 2HB ARG 4 -3.971 -0.913 -3.145
15 HB3 ARG 4 1HB ARG 4 -3.389 -1.352 -4.742
16 HG2 ARG 4 2HG ARG 4 -5.597 -1.927 -5.467
17 HG3 ARG 4 1HG ARG 4 -6.231 -1.756 -3.831
18 HD2 ARG 4 2HD ARG 4 -6.778 0.179 -5.225
19 HD3 ARG 4 1HD ARG 4 -5.746 0.615 -3.864
20 HE ARG 4 HE ARG 4 -4.400 0.045 -6.349
21 HH11 ARG 4 1HH1 ARG 4 -5.782 2.557 -4.246
22 HH12 ARG 4 2HH1 ARG 4 -4.843 3.803 -4.917
23 HH21 ARG 4 1HH2 ARG 4 -3.155 1.806 -7.275
24 HH22 ARG 4 2HH2 ARG 4 -3.316 3.380 -6.654
25 H CYS 5 H CYS 5 -1.919 -4.339 -4.453
26 HA CYS 5 HA CYS 5 -0.266 -3.591 -2.220
27 HB2 CYS 5 2HB CYS 5 0.189 -5.755 -4.253
28 HB3 CYS 5 1HB CYS 5 1.267 -5.393 -2.915
29 H LEU 6 H LEU 6 1.481 -2.536 -2.371
30 HA LEU 6 HA LEU 6 2.245 -1.426 -4.996
31 HB2 LEU 6 2HB LEU 6 0.844 0.172 -3.796
32 HB3 LEU 6 1HB LEU 6 1.882 0.049 -2.392
33 HG LEU 6 HG LEU 6 3.731 1.028 -3.742
34 HD11 LEU 6 1HD1 LEU 6 3.186 2.194 -5.814
35 HD12 LEU 6 2HD1 LEU 6 1.564 1.496 -5.781
36 HD13 LEU 6 3HD1 LEU 6 2.973 0.450 -5.967
37 HD21 LEU 6 3HD2 LEU 6 2.398 2.380 -2.225
38 HD22 LEU 6 1HD2 LEU 6 1.228 2.686 -3.508
39 HD23 LEU 6 2HD2 LEU 6 2.876 3.303 -3.647
40 H CYS 7 H CYS 7 4.438 -1.337 -5.290
41 HA CYS 7 HA CYS 7 5.998 -2.115 -2.985
42 HB2 CYS 7 2HB CYS 7 6.736 -2.321 -5.913
43 HB3 CYS 7 1HB CYS 7 7.735 -2.868 -4.568
44 H ARG 8 H ARG 8 7.416 -0.824 -2.094
45 HA ARG 8 HA ARG 8 8.257 1.580 -3.487
46 HB2 ARG 8 2HB ARG 8 6.083 2.035 -2.241
47 HB3 ARG 8 1HB ARG 8 6.940 1.658 -0.757
48 HG2 ARG 8 2HG ARG 8 6.895 4.021 -0.948
49 HG3 ARG 8 1HG ARG 8 8.536 3.515 -1.339
50 HD2 ARG 8 2HD ARG 8 7.877 5.170 -2.932
51 HD3 ARG 8 1HD ARG 8 7.944 3.615 -3.748
52 HE ARG 8 HE ARG 8 5.374 4.538 -2.732
53 HH11 ARG 8 1HH1 ARG 8 7.406 3.805 -5.551
54 HH12 ARG 8 2HH1 ARG 8 6.184 4.046 -6.695
55 HH21 ARG 8 1HH2 ARG 8 3.659 4.918 -4.335
56 HH22 ARG 8 2HH2 ARG 8 4.005 4.735 -5.982
57 H ARG 9 H ARG 9 10.322 2.089 -2.892
58 HA ARG 9 HA ARG 9 12.360 2.077 -1.908
59 HB2 ARG 9 2HB ARG 9 11.060 0.986 0.589
60 HB3 ARG 9 1HB ARG 9 12.598 1.831 0.493
61 HG2 ARG 9 2HG ARG 9 9.832 2.990 0.153
62 HG3 ARG 9 1HG ARG 9 10.968 3.295 1.455
63 HD2 ARG 9 2HD ARG 9 12.475 4.422 -0.083
64 HD3 ARG 9 1HD ARG 9 11.392 4.056 -1.430
65 HE ARG 9 HE ARG 9 10.623 5.722 0.856
66 HH11 ARG 9 1HH1 ARG 9 10.727 5.233 -2.692
67 HH12 ARG 9 2HH1 ARG 9 9.755 6.582 -3.031
68 HH21 ARG 9 1HH2 ARG 9 9.303 7.577 0.345
69 HH22 ARG 9 2HH2 ARG 9 8.915 7.954 -1.258
70 H GLY 10 H GLY 10 11.033 -0.303 -3.082
71 HA2 GLY 10 2HA GLY 10 12.065 -2.282 -3.831
72 HA3 GLY 10 1HA GLY 10 13.140 -2.215 -2.443
73 H ASP 11 H ASP 11 10.410 -1.667 -0.938
74 HA ASP 11 HA ASP 11 10.015 -4.528 -0.364
75 HB2 ASP 11 2HB ASP 11 10.821 -3.102 1.499
76 HB3 ASP 11 1HB ASP 11 9.413 -2.071 1.311
77 H CYS 12 H CYS 12 7.829 -5.324 -0.312
78 HA CYS 12 HA CYS 12 6.047 -3.417 -1.553
79 HB2 CYS 12 2HB CYS 12 5.754 -6.376 -1.599
80 HB3 CYS 12 1HB CYS 12 4.764 -5.227 -2.452
81 H ARG 13 H ARG 13 4.394 -2.821 -0.796
82 HA ARG 13 HA ARG 13 3.548 -3.765 1.886
83 HB2 ARG 13 2HB ARG 13 3.374 -1.008 0.656
84 HB3 ARG 13 1HB ARG 13 2.657 -1.455 2.183
85 HG2 ARG 13 2HG ARG 13 5.619 -1.469 1.599
86 HG3 ARG 13 1HG ARG 13 4.754 -0.153 2.387
87 HD2 ARG 13 2HD ARG 13 5.697 -1.369 4.150
88 HD3 ARG 13 1HD ARG 13 4.026 -1.906 4.104
89 HE ARG 13 HE ARG 13 6.211 -3.430 2.848
90 HH11 ARG 13 1HH1 ARG 13 3.357 -3.392 4.983
91 HH12 ARG 13 2HH1 ARG 13 3.479 -5.048 5.352
92 HH21 ARG 13 1HH2 ARG 13 6.325 -5.634 3.360
93 HH22 ARG 13 2HH2 ARG 13 5.214 -6.353 4.452
94 H CYS 14 H CYS 14 1.333 -4.162 2.110
95 HA CYS 14 HA CYS 14 -0.161 -3.551 -0.275
96 HB2 CYS 14 2HB CYS 14 -0.686 -5.793 1.692
97 HB3 CYS 14 1HB CYS 14 -1.724 -5.407 0.324
98 H ILE 15 H ILE 15 -1.779 -2.199 -0.147
99 HA ILE 15 HA ILE 15 -2.631 -1.380 2.523
100 HB ILE 15 HB ILE 15 -1.264 0.369 1.547
101 HG12 ILE 15 2HG1 ILE 15 -4.197 1.128 1.371
102 HG13 ILE 15 1HG1 ILE 15 -3.220 1.096 2.831
103 HG21 ILE 15 1HG2 ILE 15 -1.377 -0.208 -0.792
104 HG22 ILE 15 2HG2 ILE 15 -1.815 1.488 -0.577
105 HG23 ILE 15 3HG2 ILE 15 -3.068 0.285 -0.866
106 HD11 ILE 15 3HD1 ILE 15 -2.785 2.912 0.472
107 HD12 ILE 15 1HD1 ILE 15 -1.835 2.898 1.956
108 HD13 ILE 15 2HD1 ILE 15 -3.538 3.364 1.998
109 H CYS 16 H CYS 16 -4.749 -1.565 2.905
110 HA CYS 16 HA CYS 16 -6.444 -2.062 0.609
111 HB2 CYS 16 2HB CYS 16 -7.026 -2.574 3.541
112 HB3 CYS 16 1HB CYS 16 -8.091 -2.944 2.190
113 H THR 17 H THR 17 -7.712 -0.619 -0.148
114 HA THR 17 HA THR 17 -8.483 1.592 1.626
115 HB THR 17 HB THR 17 -7.837 1.970 -1.252
116 HG1 THR 17 1HG THR 17 -6.104 1.900 1.001
117 HG21 THR 17 3HG2 THR 17 -9.090 3.744 -0.178
118 HG22 THR 17 1HG2 THR 17 -7.467 4.325 -0.544
119 HG23 THR 17 2HG2 THR 17 -7.888 3.862 1.108
120 H ARG 18 H ARG 18 -10.580 1.784 1.609
121 HA ARG 18 HA ARG 18 -12.788 1.640 1.158
122 HB2 ARG 18 2HB ARG 18 -11.816 1.943 -1.637
123 HB3 ARG 18 1HB ARG 18 -13.495 2.144 -1.137
124 HG2 ARG 18 2HG ARG 18 -12.791 4.010 0.339
125 HG3 ARG 18 1HG ARG 18 -11.155 3.857 -0.301
126 HD2 ARG 18 2HD ARG 18 -12.327 5.644 -1.442
127 HD3 ARG 18 1HD ARG 18 -12.026 4.308 -2.555
128 HE ARG 18 HE ARG 18 -14.560 4.116 -1.282
129 HH11 ARG 18 1HH1 ARG 18 -12.873 5.728 -3.942
130 HH12 ARG 18 2HH1 ARG 18 -14.270 5.976 -4.883
131 HH21 ARG 18 1HH2 ARG 18 -16.496 4.437 -2.583
132 HH22 ARG 18 2HH2 ARG 18 -16.385 5.201 -4.090
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -11.674 -1.527 1.174
2 HA2 GLY 1 2HA GLY 1 -11.891 -3.861 1.361
3 HA3 GLY 1 1HA GLY 1 -13.178 -3.800 0.163
4 H ASP 2 H ASP 2 -10.815 -2.049 -1.209
5 HA ASP 2 HA ASP 2 -9.839 -4.369 -2.698
6 HB2 ASP 2 2HB ASP 2 -11.040 -2.633 -4.002
7 HB3 ASP 2 1HB ASP 2 -9.869 -1.437 -3.461
8 H CYS 3 H CYS 3 -7.746 -4.859 -2.552
9 HA CYS 3 HA CYS 3 -6.204 -3.026 -0.963
10 HB2 CYS 3 2HB CYS 3 -5.615 -5.882 -1.580
11 HB3 CYS 3 1HB CYS 3 -4.697 -4.861 -0.492
12 H ARG 4 H ARG 4 -4.645 -2.014 -1.615
13 HA ARG 4 HA ARG 4 -3.772 -2.290 -4.419
14 HB2 ARG 4 2HB ARG 4 -3.770 0.145 -2.618
15 HB3 ARG 4 1HB ARG 4 -3.269 0.116 -4.299
16 HG2 ARG 4 2HG ARG 4 -5.534 -0.351 -5.002
17 HG3 ARG 4 1HG ARG 4 -6.061 -0.457 -3.322
18 HD2 ARG 4 2HD ARG 4 -6.652 1.712 -4.210
19 HD3 ARG 4 1HD ARG 4 -5.391 1.885 -2.992
20 HE ARG 4 HE ARG 4 -4.478 1.696 -5.716
21 HH11 ARG 4 1HH1 ARG 4 -5.259 3.873 -3.033
22 HH12 ARG 4 2HH1 ARG 4 -4.567 5.256 -3.750
23 HH21 ARG 4 1HH2 ARG 4 -3.506 3.645 -6.709
24 HH22 ARG 4 2HH2 ARG 4 -3.598 5.127 -5.862
25 H CYS 5 H CYS 5 -1.632 -2.751 -4.646
26 HA CYS 5 HA CYS 5 -0.155 -2.655 -2.179
27 HB2 CYS 5 2HB CYS 5 0.449 -4.283 -4.608
28 HB3 CYS 5 1HB CYS 5 1.393 -4.288 -3.132
29 H LEU 6 H LEU 6 1.434 -1.565 -1.875
30 HA LEU 6 HA LEU 6 2.474 0.149 -4.031
31 HB2 LEU 6 2HB LEU 6 1.361 1.353 -2.204
32 HB3 LEU 6 1HB LEU 6 2.402 0.564 -1.039
33 HG LEU 6 HG LEU 6 4.347 1.697 -2.141
34 HD11 LEU 6 1HD1 LEU 6 3.385 2.195 -4.292
35 HD12 LEU 6 2HD1 LEU 6 3.883 3.688 -3.494
36 HD13 LEU 6 3HD1 LEU 6 2.178 3.237 -3.538
37 HD21 LEU 6 3HD2 LEU 6 3.451 2.515 -0.058
38 HD22 LEU 6 1HD2 LEU 6 2.201 3.411 -0.926
39 HD23 LEU 6 2HD2 LEU 6 3.903 3.876 -1.083
40 H CYS 7 H CYS 7 4.433 -0.540 -4.662
41 HA CYS 7 HA CYS 7 6.058 -1.738 -2.590
42 HB2 CYS 7 2HB CYS 7 6.170 -2.245 -5.579
43 HB3 CYS 7 1HB CYS 7 7.338 -2.886 -4.430
44 H ARG 8 H ARG 8 7.838 -0.561 -2.044
45 HA ARG 8 HA ARG 8 8.975 1.219 -4.055
46 HB2 ARG 8 2HB ARG 8 8.346 1.968 -1.200
47 HB3 ARG 8 1HB ARG 8 9.458 2.883 -2.202
48 HG2 ARG 8 2HG ARG 8 7.654 3.333 -3.794
49 HG3 ARG 8 1HG ARG 8 6.531 2.425 -2.779
50 HD2 ARG 8 2HD ARG 8 6.883 4.026 -0.971
51 HD3 ARG 8 1HD ARG 8 8.042 4.909 -1.962
52 HE ARG 8 HE ARG 8 5.817 4.886 -3.475
53 HH11 ARG 8 1HH1 ARG 8 6.462 5.935 -0.155
54 HH12 ARG 8 2HH1 ARG 8 5.206 7.084 -0.125
55 HH21 ARG 8 1HH2 ARG 8 4.071 6.485 -3.420
56 HH22 ARG 8 2HH2 ARG 8 3.817 7.396 -2.010
57 H ARG 9 H ARG 9 10.835 0.496 -4.491
58 HA ARG 9 HA ARG 9 13.000 -0.087 -4.400
59 HB2 ARG 9 2HB ARG 9 12.867 0.906 -1.587
60 HB3 ARG 9 1HB ARG 9 14.358 0.621 -2.473
61 HG2 ARG 9 2HG ARG 9 12.273 2.725 -3.033
62 HG3 ARG 9 1HG ARG 9 13.916 2.977 -2.445
63 HD2 ARG 9 2HD ARG 9 13.117 1.917 -5.161
64 HD3 ARG 9 1HD ARG 9 13.740 3.526 -4.816
65 HE ARG 9 HE ARG 9 15.404 1.248 -4.111
66 HH11 ARG 9 1HH1 ARG 9 14.835 3.959 -6.346
67 HH12 ARG 9 2HH1 ARG 9 16.370 3.853 -7.060
68 HH21 ARG 9 1HH2 ARG 9 17.461 1.093 -5.108
69 HH22 ARG 9 2HH2 ARG 9 17.915 2.171 -6.338
70 H GLY 10 H GLY 10 10.939 -1.914 -3.512
71 HA2 GLY 10 2HA GLY 10 11.568 -4.270 -3.405
72 HA3 GLY 10 1HA GLY 10 12.715 -3.821 -2.146
73 H ASP 11 H ASP 11 10.659 -1.950 -1.017
74 HA ASP 11 HA ASP 11 9.473 -3.960 0.705
75 HB2 ASP 11 2HB ASP 11 10.477 -2.059 1.818
76 HB3 ASP 11 1HB ASP 11 9.480 -0.946 0.880
77 H CYS 12 H CYS 12 7.698 -4.898 -0.041
78 HA CYS 12 HA CYS 12 5.717 -3.195 -1.296
79 HB2 CYS 12 2HB CYS 12 5.763 -6.154 -1.013
80 HB3 CYS 12 1HB CYS 12 4.480 -5.254 -1.765
81 H ARG 13 H ARG 13 4.202 -2.580 -0.491
82 HA ARG 13 HA ARG 13 3.196 -3.649 2.090
83 HB2 ARG 13 2HB ARG 13 4.468 -1.547 2.435
84 HB3 ARG 13 1HB ARG 13 3.371 -0.723 1.342
85 HG2 ARG 13 2HG ARG 13 2.779 -0.211 3.618
86 HG3 ARG 13 1HG ARG 13 1.511 -1.208 2.900
87 HD2 ARG 13 2HD ARG 13 2.417 -3.178 3.994
88 HD3 ARG 13 1HD ARG 13 3.728 -2.228 4.683
89 HE ARG 13 HE ARG 13 0.883 -1.890 5.322
90 HH11 ARG 13 1HH1 ARG 13 4.287 -1.681 6.292
91 HH12 ARG 13 2HH1 ARG 13 3.946 -1.421 7.939
92 HH21 ARG 13 1HH2 ARG 13 0.424 -1.527 7.581
93 HH22 ARG 13 2HH2 ARG 13 1.696 -1.323 8.695
94 H CYS 14 H CYS 14 1.138 -4.315 1.837
95 HA CYS 14 HA CYS 14 -0.348 -3.059 -0.292
96 HB2 CYS 14 2HB CYS 14 -0.870 -5.677 1.111
97 HB3 CYS 14 1HB CYS 14 -1.876 -5.017 -0.183
98 H ILE 15 H ILE 15 -1.742 -1.628 0.121
99 HA ILE 15 HA ILE 15 -2.843 -1.450 2.856
100 HB ILE 15 HB ILE 15 -2.586 0.772 0.789
101 HG12 ILE 15 2HG1 ILE 15 -0.927 0.288 3.288
102 HG13 ILE 15 1HG1 ILE 15 -0.379 -0.015 1.646
103 HG21 ILE 15 1HG2 ILE 15 -3.139 2.260 2.670
104 HG22 ILE 15 2HG2 ILE 15 -3.354 0.855 3.713
105 HG23 ILE 15 3HG2 ILE 15 -4.441 1.113 2.349
106 HD11 ILE 15 3HD1 ILE 15 -1.130 2.666 2.788
107 HD12 ILE 15 1HD1 ILE 15 -0.566 2.366 1.144
108 HD13 ILE 15 2HD1 ILE 15 0.509 2.074 2.514
109 H CYS 16 H CYS 16 -5.106 -1.306 3.060
110 HA CYS 16 HA CYS 16 -6.475 -1.833 0.548
111 HB2 CYS 16 2HB CYS 16 -7.302 -2.777 3.290
112 HB3 CYS 16 1HB CYS 16 -8.075 -3.195 1.765
113 H THR 17 H THR 17 -8.194 -0.799 -0.051
114 HA THR 17 HA THR 17 -9.467 1.088 1.768
115 HB THR 17 HB THR 17 -8.450 1.812 -0.958
116 HG1 THR 17 1HG THR 17 -7.372 2.032 1.606
117 HG21 THR 17 3HG2 THR 17 -10.416 3.084 -0.350
118 HG22 THR 17 1HG2 THR 17 -9.014 4.147 -0.286
119 HG23 THR 17 2HG2 THR 17 -9.714 3.506 1.206
120 H ARG 18 H ARG 18 -11.579 1.127 1.379
121 HA ARG 18 HA ARG 18 -13.660 0.493 0.667
122 HB2 ARG 18 2HB ARG 18 -12.312 0.735 -1.979
123 HB3 ARG 18 1HB ARG 18 -14.052 0.556 -1.764
124 HG2 ARG 18 2HG ARG 18 -14.168 2.663 -0.598
125 HG3 ARG 18 1HG ARG 18 -12.413 2.826 -0.671
126 HD2 ARG 18 2HD ARG 18 -12.517 2.934 -3.093
127 HD3 ARG 18 1HD ARG 18 -14.267 2.735 -3.035
128 HE ARG 18 HE ARG 18 -14.199 4.831 -1.642
129 HH11 ARG 18 1HH1 ARG 18 -11.777 4.207 -4.166
130 HH12 ARG 18 2HH1 ARG 18 -11.567 5.840 -4.557
131 HH21 ARG 18 1HH2 ARG 18 -13.907 7.042 -2.165
132 HH22 ARG 18 2HH2 ARG 18 -12.844 7.539 -3.385
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -11.979 -1.175 -0.326
2 HA2 GLY 1 2HA GLY 1 -12.464 -3.752 0.879
3 HA3 GLY 1 1HA GLY 1 -13.591 -3.433 -0.436
4 H ASP 2 H ASP 2 -10.863 -1.834 -1.431
5 HA ASP 2 HA ASP 2 -9.995 -4.105 -3.023
6 HB2 ASP 2 2HB ASP 2 -9.610 -1.129 -3.409
7 HB3 ASP 2 1HB ASP 2 -9.064 -2.386 -4.500
8 H CYS 3 H CYS 3 -8.005 -4.845 -2.538
9 HA CYS 3 HA CYS 3 -6.354 -3.035 -1.001
10 HB2 CYS 3 2HB CYS 3 -6.032 -5.987 -1.326
11 HB3 CYS 3 1HB CYS 3 -4.990 -4.966 -0.359
12 H ARG 4 H ARG 4 -4.780 -2.200 -1.718
13 HA ARG 4 HA ARG 4 -3.914 -2.820 -4.469
14 HB2 ARG 4 2HB ARG 4 -4.003 -0.144 -3.059
15 HB3 ARG 4 1HB ARG 4 -3.467 -0.410 -4.714
16 HG2 ARG 4 2HG ARG 4 -5.728 -1.206 -5.297
17 HG3 ARG 4 1HG ARG 4 -6.243 -0.913 -3.645
18 HD2 ARG 4 2HD ARG 4 -5.788 1.475 -3.914
19 HD3 ARG 4 1HD ARG 4 -5.247 1.191 -5.568
20 HE ARG 4 HE ARG 4 -7.719 0.131 -5.550
21 HH11 ARG 4 1HH1 ARG 4 -6.467 3.374 -4.807
22 HH12 ARG 4 2HH1 ARG 4 -7.951 4.160 -5.074
23 HH21 ARG 4 1HH2 ARG 4 -9.808 1.295 -5.968
24 HH22 ARG 4 2HH2 ARG 4 -9.820 2.980 -5.748
25 H CYS 5 H CYS 5 -1.811 -3.419 -4.624
26 HA CYS 5 HA CYS 5 -0.238 -2.883 -2.258
27 HB2 CYS 5 2HB CYS 5 0.231 -4.992 -4.327
28 HB3 CYS 5 1HB CYS 5 1.188 -4.752 -2.881
29 H LEU 6 H LEU 6 1.501 -1.855 -2.249
30 HA LEU 6 HA LEU 6 2.557 -0.814 -4.793
31 HB2 LEU 6 2HB LEU 6 2.293 0.667 -2.170
32 HB3 LEU 6 1HB LEU 6 3.245 1.249 -3.515
33 HG LEU 6 HG LEU 6 1.250 2.473 -3.522
34 HD11 LEU 6 1HD1 LEU 6 1.948 1.843 -5.715
35 HD12 LEU 6 2HD1 LEU 6 0.192 1.937 -5.635
36 HD13 LEU 6 3HD1 LEU 6 0.986 0.365 -5.631
37 HD21 LEU 6 3HD2 LEU 6 -0.117 1.075 -2.083
38 HD22 LEU 6 1HD2 LEU 6 -0.302 -0.110 -3.375
39 HD23 LEU 6 2HD2 LEU 6 -1.004 1.497 -3.545
40 H CYS 7 H CYS 7 4.684 -1.052 -5.107
41 HA CYS 7 HA CYS 7 6.158 -1.975 -2.788
42 HB2 CYS 7 2HB CYS 7 6.837 -2.348 -5.715
43 HB3 CYS 7 1HB CYS 7 7.859 -2.882 -4.389
44 H ARG 8 H ARG 8 7.770 -0.771 -1.997
45 HA ARG 8 HA ARG 8 8.673 1.512 -3.577
46 HB2 ARG 8 2HB ARG 8 7.946 1.472 -0.637
47 HB3 ARG 8 1HB ARG 8 8.759 2.810 -1.437
48 HG2 ARG 8 2HG ARG 8 6.829 3.140 -2.889
49 HG3 ARG 8 1HG ARG 8 6.022 1.766 -2.142
50 HD2 ARG 8 2HD ARG 8 6.824 4.322 -0.746
51 HD3 ARG 8 1HD ARG 8 5.200 3.907 -1.285
52 HE ARG 8 HE ARG 8 6.685 2.444 0.801
53 HH11 ARG 8 1HH1 ARG 8 3.603 3.774 -0.399
54 HH12 ARG 8 2HH1 ARG 8 2.695 3.156 0.911
55 HH21 ARG 8 1HH2 ARG 8 5.450 1.689 2.539
56 HH22 ARG 8 2HH2 ARG 8 3.750 1.900 2.603
57 H ARG 9 H ARG 9 10.623 0.904 -4.146
58 HA ARG 9 HA ARG 9 12.844 0.474 -4.089
59 HB2 ARG 9 2HB ARG 9 12.583 1.547 -1.338
60 HB3 ARG 9 1HB ARG 9 14.126 1.352 -2.164
61 HG2 ARG 9 2HG ARG 9 11.877 3.216 -2.945
62 HG3 ARG 9 1HG ARG 9 13.454 3.682 -2.299
63 HD2 ARG 9 2HD ARG 9 14.532 2.773 -4.303
64 HD3 ARG 9 1HD ARG 9 12.951 2.293 -4.919
65 HE ARG 9 HE ARG 9 13.475 5.087 -4.319
66 HH11 ARG 9 1HH1 ARG 9 12.875 2.561 -6.750
67 HH12 ARG 9 2HH1 ARG 9 12.485 3.632 -8.000
68 HH21 ARG 9 1HH2 ARG 9 12.957 6.580 -6.067
69 HH22 ARG 9 2HH2 ARG 9 12.509 5.964 -7.596
70 H GLY 10 H GLY 10 11.134 -1.632 -3.192
71 HA2 GLY 10 2HA GLY 10 12.295 -3.834 -3.076
72 HA3 GLY 10 1HA GLY 10 13.181 -3.156 -1.719
73 H ASP 11 H ASP 11 10.657 -1.826 -0.618
74 HA ASP 11 HA ASP 11 9.710 -4.303 0.476
75 HB2 ASP 11 2HB ASP 11 8.849 -3.042 2.334
76 HB3 ASP 11 1HB ASP 11 10.555 -2.694 2.139
77 H CYS 12 H CYS 12 7.825 -5.097 0.008
78 HA CYS 12 HA CYS 12 6.020 -3.318 -1.392
79 HB2 CYS 12 2HB CYS 12 5.951 -6.299 -1.282
80 HB3 CYS 12 1HB CYS 12 4.875 -5.275 -2.192
81 H ARG 13 H ARG 13 4.341 -2.788 -0.694
82 HA ARG 13 HA ARG 13 3.269 -4.010 1.763
83 HB2 ARG 13 2HB ARG 13 3.856 -1.080 1.375
84 HB3 ARG 13 1HB ARG 13 2.815 -1.685 2.657
85 HG2 ARG 13 2HG ARG 13 4.644 -2.954 3.600
86 HG3 ARG 13 1HG ARG 13 5.687 -2.497 2.255
87 HD2 ARG 13 2HD ARG 13 6.140 -1.198 4.274
88 HD3 ARG 13 1HD ARG 13 5.592 -0.190 2.937
89 HE ARG 13 HE ARG 13 3.340 -0.821 4.383
90 HH11 ARG 13 1HH1 ARG 13 6.423 0.761 5.115
91 HH12 ARG 13 2HH1 ARG 13 5.740 1.910 6.162
92 HH21 ARG 13 1HH2 ARG 13 2.413 0.779 5.849
93 HH22 ARG 13 2HH2 ARG 13 3.431 1.923 6.609
94 H CYS 14 H CYS 14 1.046 -3.811 2.081
95 HA CYS 14 HA CYS 14 -0.292 -2.910 -0.321
96 HB2 CYS 14 2HB CYS 14 -1.132 -5.163 1.505
97 HB3 CYS 14 1HB CYS 14 -2.013 -4.627 0.085
98 H ILE 15 H ILE 15 -1.877 -1.548 -0.163
99 HA ILE 15 HA ILE 15 -2.804 -0.853 2.527
100 HB ILE 15 HB ILE 15 -1.577 1.018 1.455
101 HG12 ILE 15 2HG1 ILE 15 -3.362 2.779 1.569
102 HG13 ILE 15 1HG1 ILE 15 -4.550 1.487 1.687
103 HG21 ILE 15 1HG2 ILE 15 -2.426 2.159 -0.532
104 HG22 ILE 15 2HG2 ILE 15 -3.645 0.901 -0.725
105 HG23 ILE 15 3HG2 ILE 15 -1.936 0.498 -0.881
106 HD11 ILE 15 3HD1 ILE 15 -2.333 2.039 3.645
107 HD12 ILE 15 1HD1 ILE 15 -3.514 0.736 3.771
108 HD13 ILE 15 2HD1 ILE 15 -4.043 2.414 3.864
109 H CYS 16 H CYS 16 -4.981 -1.033 2.885
110 HA CYS 16 HA CYS 16 -6.510 -1.832 0.553
111 HB2 CYS 16 2HB CYS 16 -7.044 -2.428 3.472
112 HB3 CYS 16 1HB CYS 16 -8.106 -2.901 2.150
113 H THR 17 H THR 17 -8.255 -0.786 -0.086
114 HA THR 17 HA THR 17 -9.118 1.501 1.531
115 HB THR 17 HB THR 17 -9.089 1.425 -1.413
116 HG1 THR 17 1HG THR 17 -7.038 2.234 0.409
117 HG21 THR 17 3HG2 THR 17 -10.444 3.151 -0.412
118 HG22 THR 17 1HG2 THR 17 -9.044 3.897 -1.180
119 HG23 THR 17 2HG2 THR 17 -9.087 3.698 0.573
120 H ARG 18 H ARG 18 -11.032 0.990 2.064
121 HA ARG 18 HA ARG 18 -13.269 0.621 2.158
122 HB2 ARG 18 2HB ARG 18 -13.198 0.607 -0.857
123 HB3 ARG 18 1HB ARG 18 -14.610 0.779 0.184
124 HG2 ARG 18 2HG ARG 18 -13.884 2.912 0.952
125 HG3 ARG 18 1HG ARG 18 -12.330 2.732 0.140
126 HD2 ARG 18 2HD ARG 18 -13.557 2.601 -2.016
127 HD3 ARG 18 1HD ARG 18 -15.035 2.975 -1.138
128 HE ARG 18 HE ARG 18 -13.594 5.019 -0.415
129 HH11 ARG 18 1HH1 ARG 18 -13.613 3.526 -3.613
130 HH12 ARG 18 2HH1 ARG 18 -13.439 4.992 -4.465
131 HH21 ARG 18 1HH2 ARG 18 -13.336 7.051 -1.590
132 HH22 ARG 18 2HH2 ARG 18 -13.310 7.017 -3.300
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -11.114 -0.670 1.082
2 HA2 GLY 1 2HA GLY 1 -12.073 -2.734 1.776
3 HA3 GLY 1 1HA GLY 1 -13.284 -2.529 0.522
4 H ASP 2 H ASP 2 -10.735 -1.716 -1.157
5 HA ASP 2 HA ASP 2 -10.223 -4.483 -1.902
6 HB2 ASP 2 2HB ASP 2 -10.312 -1.979 -3.542
7 HB3 ASP 2 1HB ASP 2 -9.472 -3.413 -4.110
8 H CYS 3 H CYS 3 -8.293 -5.238 -1.714
9 HA CYS 3 HA CYS 3 -6.296 -3.410 -0.777
10 HB2 CYS 3 2HB CYS 3 -6.183 -6.397 -0.904
11 HB3 CYS 3 1HB CYS 3 -5.060 -5.348 -0.053
12 H ARG 4 H ARG 4 -4.617 -2.834 -1.648
13 HA ARG 4 HA ARG 4 -4.003 -3.806 -4.339
14 HB2 ARG 4 2HB ARG 4 -3.786 -1.466 -5.106
15 HB3 ARG 4 1HB ARG 4 -5.423 -1.837 -4.597
16 HG2 ARG 4 2HG ARG 4 -4.723 -0.780 -2.345
17 HG3 ARG 4 1HG ARG 4 -3.372 -0.109 -3.254
18 HD2 ARG 4 2HD ARG 4 -5.080 1.538 -3.283
19 HD3 ARG 4 1HD ARG 4 -5.086 0.797 -4.883
20 HE ARG 4 HE ARG 4 -6.907 -0.417 -3.016
21 HH11 ARG 4 1HH1 ARG 4 -6.590 2.055 -5.536
22 HH12 ARG 4 2HH1 ARG 4 -8.265 2.292 -5.729
23 HH21 ARG 4 1HH2 ARG 4 -9.272 -0.036 -3.256
24 HH22 ARG 4 2HH2 ARG 4 -9.789 1.085 -4.420
25 H CYS 5 H CYS 5 -1.807 -3.757 -4.840
26 HA CYS 5 HA CYS 5 -0.233 -3.340 -2.450
27 HB2 CYS 5 2HB CYS 5 0.438 -5.095 -4.766
28 HB3 CYS 5 1HB CYS 5 1.300 -4.991 -3.238
29 H LEU 6 H LEU 6 1.227 -2.066 -2.290
30 HA LEU 6 HA LEU 6 2.341 -0.758 -4.675
31 HB2 LEU 6 2HB LEU 6 1.516 0.576 -2.085
32 HB3 LEU 6 1HB LEU 6 2.621 1.324 -3.210
33 HG LEU 6 HG LEU 6 0.514 2.332 -3.518
34 HD11 LEU 6 1HD1 LEU 6 -0.055 1.869 -5.823
35 HD12 LEU 6 2HD1 LEU 6 0.892 0.389 -5.766
36 HD13 LEU 6 3HD1 LEU 6 1.687 1.953 -5.566
37 HD21 LEU 6 3HD2 LEU 6 -1.547 1.098 -4.092
38 HD22 LEU 6 1HD2 LEU 6 -0.947 0.713 -2.477
39 HD23 LEU 6 2HD2 LEU 6 -0.689 -0.416 -3.809
40 H CYS 7 H CYS 7 4.532 -0.439 -4.655
41 HA CYS 7 HA CYS 7 5.831 -1.489 -2.274
42 HB2 CYS 7 2HB CYS 7 6.750 -1.861 -5.137
43 HB3 CYS 7 1HB CYS 7 7.541 -2.504 -3.704
44 H ARG 8 H ARG 8 7.622 -0.347 -1.549
45 HA ARG 8 HA ARG 8 8.595 1.856 -3.221
46 HB2 ARG 8 2HB ARG 8 8.139 2.039 -0.221
47 HB3 ARG 8 1HB ARG 8 8.878 3.266 -1.221
48 HG2 ARG 8 2HG ARG 8 6.729 4.073 -0.783
49 HG3 ARG 8 1HG ARG 8 6.607 3.402 -2.409
50 HD2 ARG 8 2HD ARG 8 5.572 1.392 -1.528
51 HD3 ARG 8 1HD ARG 8 5.812 1.978 0.119
52 HE ARG 8 HE ARG 8 4.241 3.679 -1.602
53 HH11 ARG 8 1HH1 ARG 8 4.204 1.113 0.830
54 HH12 ARG 8 2HH1 ARG 8 2.597 1.452 1.331
55 HH21 ARG 8 1HH2 ARG 8 2.041 4.086 -0.939
56 HH22 ARG 8 2HH2 ARG 8 1.342 3.160 0.315
57 H ARG 9 H ARG 9 10.771 1.806 -3.367
58 HA ARG 9 HA ARG 9 12.973 1.287 -3.017
59 HB2 ARG 9 2HB ARG 9 12.073 0.740 -0.185
60 HB3 ARG 9 1HB ARG 9 13.744 0.800 -0.701
61 HG2 ARG 9 2HG ARG 9 13.541 3.141 -1.224
62 HG3 ARG 9 1HG ARG 9 11.810 3.094 -0.882
63 HD2 ARG 9 2HD ARG 9 13.950 2.439 1.134
64 HD3 ARG 9 1HD ARG 9 13.186 4.019 0.983
65 HE ARG 9 HE ARG 9 11.133 2.201 1.249
66 HH11 ARG 9 1HH1 ARG 9 13.886 3.163 3.237
67 HH12 ARG 9 2HH1 ARG 9 13.060 2.930 4.714
68 HH21 ARG 9 1HH2 ARG 9 10.019 1.899 3.279
69 HH22 ARG 9 2HH2 ARG 9 10.837 2.217 4.740
70 H GLY 10 H GLY 10 10.783 -0.899 -3.423
71 HA2 GLY 10 2HA GLY 10 11.213 -3.128 -4.128
72 HA3 GLY 10 1HA GLY 10 12.614 -3.162 -3.063
73 H ASP 11 H ASP 11 10.653 -1.744 -1.118
74 HA ASP 11 HA ASP 11 9.821 -4.171 0.230
75 HB2 ASP 11 2HB ASP 11 10.901 -2.576 1.636
76 HB3 ASP 11 1HB ASP 11 9.916 -1.262 1.016
77 H CYS 12 H CYS 12 7.898 -4.971 -0.165
78 HA CYS 12 HA CYS 12 5.903 -3.215 -1.308
79 HB2 CYS 12 2HB CYS 12 5.998 -6.182 -1.182
80 HB3 CYS 12 1HB CYS 12 4.703 -5.247 -1.898
81 H ARG 13 H ARG 13 4.019 -2.924 -0.618
82 HA ARG 13 HA ARG 13 3.112 -4.266 1.824
83 HB2 ARG 13 2HB ARG 13 4.099 -2.169 2.577
84 HB3 ARG 13 1HB ARG 13 3.141 -1.276 1.405
85 HG2 ARG 13 2HG ARG 13 1.099 -1.969 2.550
86 HG3 ARG 13 1HG ARG 13 2.070 -2.844 3.736
87 HD2 ARG 13 2HD ARG 13 3.092 -0.799 4.471
88 HD3 ARG 13 1HD ARG 13 2.267 0.114 3.200
89 HE ARG 13 HE ARG 13 0.431 -1.302 4.772
90 HH11 ARG 13 1HH1 ARG 13 2.488 1.555 4.916
91 HH12 ARG 13 2HH1 ARG 13 1.483 2.413 5.982
92 HH21 ARG 13 1HH2 ARG 13 -0.961 -0.166 6.228
93 HH22 ARG 13 2HH2 ARG 13 -0.541 1.386 6.788
94 H CYS 14 H CYS 14 1.021 -4.864 1.646
95 HA CYS 14 HA CYS 14 -0.364 -3.668 -0.563
96 HB2 CYS 14 2HB CYS 14 -1.059 -6.190 0.964
97 HB3 CYS 14 1HB CYS 14 -1.981 -5.548 -0.391
98 H ILE 15 H ILE 15 -1.592 -2.067 -0.188
99 HA ILE 15 HA ILE 15 -2.620 -1.723 2.523
100 HB ILE 15 HB ILE 15 -1.147 0.092 1.834
101 HG12 ILE 15 2HG1 ILE 15 -2.688 2.064 2.015
102 HG13 ILE 15 1HG1 ILE 15 -4.043 0.960 1.823
103 HG21 ILE 15 1HG2 ILE 15 -2.937 0.486 -0.542
104 HG22 ILE 15 2HG2 ILE 15 -1.283 -0.114 -0.547
105 HG23 ILE 15 3HG2 ILE 15 -1.610 1.548 -0.063
106 HD11 ILE 15 3HD1 ILE 15 -3.693 1.527 4.158
107 HD12 ILE 15 1HD1 ILE 15 -2.042 0.913 4.073
108 HD13 ILE 15 2HD1 ILE 15 -3.399 -0.192 3.878
109 H CYS 16 H CYS 16 -4.766 -1.502 2.849
110 HA CYS 16 HA CYS 16 -6.346 -2.028 0.504
111 HB2 CYS 16 2HB CYS 16 -7.150 -2.323 3.397
112 HB3 CYS 16 1HB CYS 16 -8.027 -2.897 1.977
113 H THR 17 H THR 17 -7.866 -0.792 -0.242
114 HA THR 17 HA THR 17 -8.536 1.613 1.254
115 HB THR 17 HB THR 17 -7.747 1.734 -1.651
116 HG1 THR 17 1HG THR 17 -6.163 1.763 0.658
117 HG21 THR 17 3HG2 THR 17 -9.147 3.557 -0.798
118 HG22 THR 17 1HG2 THR 17 -7.529 4.145 -1.184
119 HG23 THR 17 2HG2 THR 17 -7.979 3.854 0.494
120 H ARG 18 H ARG 18 -10.629 2.031 0.991
121 HA ARG 18 HA ARG 18 -12.795 1.793 0.525
122 HB2 ARG 18 2HB ARG 18 -11.749 1.283 -2.225
123 HB3 ARG 18 1HB ARG 18 -13.449 1.517 -1.843
124 HG2 ARG 18 2HG ARG 18 -12.916 3.776 -1.005
125 HG3 ARG 18 1HG ARG 18 -11.236 3.530 -1.488
126 HD2 ARG 18 2HD ARG 18 -12.452 4.786 -3.188
127 HD3 ARG 18 1HD ARG 18 -11.956 3.209 -3.802
128 HE ARG 18 HE ARG 18 -14.607 3.300 -2.679
129 HH11 ARG 18 1HH1 ARG 18 -12.686 3.613 -5.642
130 HH12 ARG 18 2HH1 ARG 18 -14.004 3.371 -6.691
131 HH21 ARG 18 1HH2 ARG 18 -16.429 2.954 -4.169
132 HH22 ARG 18 2HH2 ARG 18 -16.128 3.004 -5.854
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -11.366 -0.504 0.514
2 HA2 GLY 1 2HA GLY 1 -11.882 -2.634 2.176
3 HA3 GLY 1 1HA GLY 1 -13.352 -2.474 1.224
4 H ASP 2 H ASP 2 -11.132 -1.419 -0.927
5 HA ASP 2 HA ASP 2 -10.715 -4.097 -1.999
6 HB2 ASP 2 2HB ASP 2 -11.930 -2.659 -3.528
7 HB3 ASP 2 1HB ASP 2 -10.766 -1.358 -3.298
8 H CYS 3 H CYS 3 -8.635 -4.747 -2.488
9 HA CYS 3 HA CYS 3 -6.677 -3.002 -1.279
10 HB2 CYS 3 2HB CYS 3 -6.643 -6.003 -1.494
11 HB3 CYS 3 1HB CYS 3 -5.348 -5.030 -0.802
12 H ARG 4 H ARG 4 -4.620 -2.752 -2.166
13 HA ARG 4 HA ARG 4 -4.182 -3.818 -4.855
14 HB2 ARG 4 2HB ARG 4 -5.076 -1.533 -5.097
15 HB3 ARG 4 1HB ARG 4 -3.832 -0.931 -4.017
16 HG2 ARG 4 2HG ARG 4 -2.114 -1.629 -5.644
17 HG3 ARG 4 1HG ARG 4 -3.398 -2.154 -6.734
18 HD2 ARG 4 2HD ARG 4 -4.254 0.092 -6.878
19 HD3 ARG 4 1HD ARG 4 -3.081 0.643 -5.677
20 HE ARG 4 HE ARG 4 -2.207 -0.506 -8.221
21 HH11 ARG 4 1HH1 ARG 4 -2.446 2.321 -6.085
22 HH12 ARG 4 2HH1 ARG 4 -1.205 3.196 -6.831
23 HH21 ARG 4 1HH2 ARG 4 -0.499 0.767 -9.318
24 HH22 ARG 4 2HH2 ARG 4 -0.105 2.311 -8.731
25 H CYS 5 H CYS 5 -2.119 -4.535 -5.077
26 HA CYS 5 HA CYS 5 -0.389 -4.052 -2.819
27 HB2 CYS 5 2HB CYS 5 -0.114 -6.075 -5.024
28 HB3 CYS 5 1HB CYS 5 1.012 -5.885 -3.697
29 H LEU 6 H LEU 6 1.611 -3.218 -2.918
30 HA LEU 6 HA LEU 6 2.706 -2.470 -5.454
31 HB2 LEU 6 2HB LEU 6 2.957 -0.045 -4.791
32 HB3 LEU 6 1HB LEU 6 1.353 -0.551 -5.255
33 HG LEU 6 HG LEU 6 0.798 -0.652 -2.771
34 HD11 LEU 6 1HD1 LEU 6 3.032 -0.737 -1.841
35 HD12 LEU 6 2HD1 LEU 6 2.164 0.675 -1.243
36 HD13 LEU 6 3HD1 LEU 6 3.389 0.859 -2.500
37 HD21 LEU 6 3HD2 LEU 6 1.562 2.006 -3.962
38 HD22 LEU 6 1HD2 LEU 6 0.462 1.762 -2.604
39 HD23 LEU 6 2HD2 LEU 6 0.039 1.147 -4.201
40 H CYS 7 H CYS 7 4.874 -1.512 -5.236
41 HA CYS 7 HA CYS 7 6.026 -2.258 -2.703
42 HB2 CYS 7 2HB CYS 7 7.277 -2.671 -5.439
43 HB3 CYS 7 1HB CYS 7 8.083 -2.983 -3.907
44 H ARG 8 H ARG 8 7.513 -0.763 -1.922
45 HA ARG 8 HA ARG 8 8.260 1.417 -3.641
46 HB2 ARG 8 2HB ARG 8 6.048 2.047 -2.736
47 HB3 ARG 8 1HB ARG 8 6.668 1.851 -1.109
48 HG2 ARG 8 2HG ARG 8 8.161 3.714 -1.401
49 HG3 ARG 8 1HG ARG 8 7.713 3.849 -3.104
50 HD2 ARG 8 2HD ARG 8 5.856 4.222 -0.758
51 HD3 ARG 8 1HD ARG 8 6.570 5.515 -1.719
52 HE ARG 8 HE ARG 8 5.146 3.630 -3.324
53 HH11 ARG 8 1HH1 ARG 8 4.691 6.501 -1.301
54 HH12 ARG 8 2HH1 ARG 8 3.217 6.946 -2.031
55 HH21 ARG 8 1HH2 ARG 8 3.173 4.215 -4.291
56 HH22 ARG 8 2HH2 ARG 8 2.305 5.594 -3.781
57 H ARG 9 H ARG 9 10.190 2.183 -3.118
58 HA ARG 9 HA ARG 9 12.184 2.537 -2.133
59 HB2 ARG 9 2HB ARG 9 10.611 2.104 0.384
60 HB3 ARG 9 1HB ARG 9 12.306 2.560 0.395
61 HG2 ARG 9 2HG ARG 9 10.039 4.186 -0.773
62 HG3 ARG 9 1HG ARG 9 10.880 4.506 0.745
63 HD2 ARG 9 2HD ARG 9 12.050 4.586 -2.035
64 HD3 ARG 9 1HD ARG 9 11.745 5.958 -0.972
65 HE ARG 9 HE ARG 9 13.375 4.767 0.572
66 HH11 ARG 9 1HH1 ARG 9 13.648 4.783 -2.955
67 HH12 ARG 9 2HH1 ARG 9 15.318 4.504 -2.982
68 HH21 ARG 9 1HH2 ARG 9 15.658 4.362 0.552
69 HH22 ARG 9 2HH2 ARG 9 16.499 4.237 -0.924
70 H GLY 10 H GLY 10 11.121 -0.278 -2.645
71 HA2 GLY 10 2HA GLY 10 12.574 -2.149 -2.923
72 HA3 GLY 10 1HA GLY 10 13.513 -1.581 -1.551
73 H ASP 11 H ASP 11 10.330 -1.260 -0.792
74 HA ASP 11 HA ASP 11 10.218 -3.915 0.460
75 HB2 ASP 11 2HB ASP 11 10.665 -2.420 2.241
76 HB3 ASP 11 1HB ASP 11 9.589 -1.192 1.591
77 H CYS 12 H CYS 12 8.276 -4.974 0.332
78 HA CYS 12 HA CYS 12 6.293 -3.613 -1.322
79 HB2 CYS 12 2HB CYS 12 6.678 -6.560 -0.961
80 HB3 CYS 12 1HB CYS 12 5.448 -5.805 -1.943
81 H ARG 13 H ARG 13 4.255 -3.583 -0.857
82 HA ARG 13 HA ARG 13 3.224 -4.998 1.450
83 HB2 ARG 13 2HB ARG 13 2.462 -3.000 2.664
84 HB3 ARG 13 1HB ARG 13 4.211 -3.076 2.564
85 HG2 ARG 13 2HG ARG 13 4.174 -1.428 0.755
86 HG3 ARG 13 1HG ARG 13 2.415 -1.340 0.886
87 HD2 ARG 13 2HD ARG 13 4.376 -0.697 3.079
88 HD3 ARG 13 1HD ARG 13 3.543 0.496 2.083
89 HE ARG 13 HE ARG 13 1.650 -1.184 3.306
90 HH11 ARG 13 1HH1 ARG 13 4.003 1.294 4.262
91 HH12 ARG 13 2HH1 ARG 13 3.050 1.881 5.551
92 HH21 ARG 13 1HH2 ARG 13 0.371 -0.394 5.110
93 HH22 ARG 13 2HH2 ARG 13 0.958 0.906 6.038
94 H CYS 14 H CYS 14 0.927 -4.980 1.551
95 HA CYS 14 HA CYS 14 -0.189 -3.916 -0.889
96 HB2 CYS 14 2HB CYS 14 -1.228 -6.187 0.818
97 HB3 CYS 14 1HB CYS 14 -2.013 -5.580 -0.638
98 H ILE 15 H ILE 15 -1.482 -2.269 -0.743
99 HA ILE 15 HA ILE 15 -2.369 -1.532 1.945
100 HB ILE 15 HB ILE 15 -0.819 0.090 0.910
101 HG12 ILE 15 2HG1 ILE 15 -3.643 1.191 1.039
102 HG13 ILE 15 1HG1 ILE 15 -2.593 0.934 2.423
103 HG21 ILE 15 1HG2 ILE 15 -1.460 1.381 -1.084
104 HG22 ILE 15 2HG2 ILE 15 -2.855 0.324 -1.295
105 HG23 ILE 15 3HG2 ILE 15 -1.226 -0.335 -1.423
106 HD11 ILE 15 3HD1 ILE 15 -2.095 2.856 0.155
107 HD12 ILE 15 1HD1 ILE 15 -1.041 2.615 1.549
108 HD13 ILE 15 2HD1 ILE 15 -2.663 3.273 1.775
109 H CYS 16 H CYS 16 -4.514 -0.922 2.243
110 HA CYS 16 HA CYS 16 -6.183 -1.594 -0.028
111 HB2 CYS 16 2HB CYS 16 -6.872 -2.003 2.889
112 HB3 CYS 16 1HB CYS 16 -7.867 -2.460 1.514
113 H THR 17 H THR 17 -8.194 -0.456 -0.214
114 HA THR 17 HA THR 17 -8.409 1.931 1.441
115 HB THR 17 HB THR 17 -8.556 2.040 -1.549
116 HG1 THR 17 1HG THR 17 -6.432 2.142 0.171
117 HG21 THR 17 3HG2 THR 17 -8.484 4.495 -1.235
118 HG22 THR 17 1HG2 THR 17 -8.434 4.257 0.513
119 HG23 THR 17 2HG2 THR 17 -9.858 3.768 -0.404
120 H ARG 18 H ARG 18 -10.424 2.274 1.930
121 HA ARG 18 HA ARG 18 -12.605 2.025 2.308
122 HB2 ARG 18 2HB ARG 18 -12.783 1.467 -0.651
123 HB3 ARG 18 1HB ARG 18 -14.145 1.737 0.429
124 HG2 ARG 18 2HG ARG 18 -13.331 3.984 0.916
125 HG3 ARG 18 1HG ARG 18 -11.976 3.726 -0.187
126 HD2 ARG 18 2HD ARG 18 -13.521 3.434 -2.031
127 HD3 ARG 18 1HD ARG 18 -14.892 3.617 -0.948
128 HE ARG 18 HE ARG 18 -12.906 5.739 -1.370
129 HH11 ARG 18 1HH1 ARG 18 -16.299 4.726 -1.104
130 HH12 ARG 18 2HH1 ARG 18 -16.933 6.251 -1.495
131 HH21 ARG 18 1HH2 ARG 18 -13.822 7.893 -1.847
132 HH22 ARG 18 2HH2 ARG 18 -15.512 8.061 -1.916
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -11.209 -0.680 0.227
2 HA2 GLY 1 2HA GLY 1 -13.041 -2.314 0.355
3 HA3 GLY 1 1HA GLY 1 -13.569 -1.710 -1.205
4 H ASP 2 H ASP 2 -10.291 -1.734 -1.438
5 HA ASP 2 HA ASP 2 -10.164 -4.589 -2.085
6 HB2 ASP 2 2HB ASP 2 -10.735 -3.323 -4.165
7 HB3 ASP 2 1HB ASP 2 -9.252 -2.397 -3.963
8 H CYS 3 H CYS 3 -8.068 -5.474 -1.867
9 HA CYS 3 HA CYS 3 -6.322 -3.599 -0.540
10 HB2 CYS 3 2HB CYS 3 -6.039 -6.568 -0.618
11 HB3 CYS 3 1HB CYS 3 -5.095 -5.466 0.367
12 H ARG 4 H ARG 4 -4.798 -2.819 -1.285
13 HA ARG 4 HA ARG 4 -3.983 -3.486 -4.038
14 HB2 ARG 4 2HB ARG 4 -5.206 -1.356 -3.680
15 HB3 ARG 4 1HB ARG 4 -3.971 -0.860 -2.542
16 HG2 ARG 4 2HG ARG 4 -3.627 0.244 -4.636
17 HG3 ARG 4 1HG ARG 4 -2.322 -0.919 -4.381
18 HD2 ARG 4 2HD ARG 4 -3.467 -2.512 -5.824
19 HD3 ARG 4 1HD ARG 4 -4.773 -1.348 -6.052
20 HE ARG 4 HE ARG 4 -2.370 -0.151 -6.754
21 HH11 ARG 4 1HH1 ARG 4 -4.515 -2.718 -7.850
22 HH12 ARG 4 2HH1 ARG 4 -4.111 -2.549 -9.501
23 HH21 ARG 4 1HH2 ARG 4 -1.815 0.098 -9.060
24 HH22 ARG 4 2HH2 ARG 4 -2.568 -0.934 -10.183
25 H CYS 5 H CYS 5 -1.667 -3.532 -4.427
26 HA CYS 5 HA CYS 5 -0.228 -3.266 -1.961
27 HB2 CYS 5 2HB CYS 5 0.526 -4.913 -4.328
28 HB3 CYS 5 1HB CYS 5 1.448 -4.785 -2.843
29 H LEU 6 H LEU 6 1.264 -1.993 -1.713
30 HA LEU 6 HA LEU 6 2.015 -0.252 -3.939
31 HB2 LEU 6 2HB LEU 6 0.677 0.799 -2.112
32 HB3 LEU 6 1HB LEU 6 1.924 0.342 -0.977
33 HG LEU 6 HG LEU 6 3.523 1.812 -2.194
34 HD11 LEU 6 1HD1 LEU 6 1.062 2.628 -3.733
35 HD12 LEU 6 2HD1 LEU 6 2.487 1.812 -4.380
36 HD13 LEU 6 3HD1 LEU 6 2.613 3.460 -3.761
37 HD21 LEU 6 3HD2 LEU 6 1.004 3.146 -1.201
38 HD22 LEU 6 1HD2 LEU 6 2.576 3.920 -1.377
39 HD23 LEU 6 2HD2 LEU 6 2.364 2.621 -0.207
40 H CYS 7 H CYS 7 4.065 -0.662 -4.561
41 HA CYS 7 HA CYS 7 5.839 -1.627 -2.477
42 HB2 CYS 7 2HB CYS 7 6.265 -1.843 -5.470
43 HB3 CYS 7 1HB CYS 7 7.207 -2.618 -4.206
44 H ARG 8 H ARG 8 7.521 -0.434 -1.895
45 HA ARG 8 HA ARG 8 8.391 1.704 -3.631
46 HB2 ARG 8 2HB ARG 8 6.622 2.586 -2.028
47 HB3 ARG 8 1HB ARG 8 7.727 2.182 -0.718
48 HG2 ARG 8 2HG ARG 8 9.353 3.746 -1.570
49 HG3 ARG 8 1HG ARG 8 8.326 4.081 -2.968
50 HD2 ARG 8 2HD ARG 8 6.576 4.908 -1.417
51 HD3 ARG 8 1HD ARG 8 7.700 4.679 -0.078
52 HE ARG 8 HE ARG 8 8.753 6.280 -2.191
53 HH11 ARG 8 1HH1 ARG 8 6.765 6.376 0.717
54 HH12 ARG 8 2HH1 ARG 8 7.037 8.024 1.038
55 HH21 ARG 8 1HH2 ARG 8 9.113 8.573 -1.793
56 HH22 ARG 8 2HH2 ARG 8 8.384 9.310 -0.451
57 H ARG 9 H ARG 9 10.526 1.920 -3.545
58 HA ARG 9 HA ARG 9 12.715 1.655 -3.047
59 HB2 ARG 9 2HB ARG 9 11.796 0.699 -0.319
60 HB3 ARG 9 1HB ARG 9 13.460 1.021 -0.761
61 HG2 ARG 9 2HG ARG 9 11.240 3.051 -0.699
62 HG3 ARG 9 1HG ARG 9 12.452 2.822 0.556
63 HD2 ARG 9 2HD ARG 9 14.211 3.387 -1.036
64 HD3 ARG 9 1HD ARG 9 13.000 3.599 -2.301
65 HE ARG 9 HE ARG 9 12.234 5.216 -0.230
66 HH11 ARG 9 1HH1 ARG 9 15.103 4.983 -2.283
67 HH12 ARG 9 2HH1 ARG 9 15.392 6.660 -2.273
68 HH21 ARG 9 1HH2 ARG 9 12.654 7.469 -0.211
69 HH22 ARG 9 2HH2 ARG 9 13.992 8.111 -1.066
70 H GLY 10 H GLY 10 10.565 -0.757 -3.366
71 HA2 GLY 10 2HA GLY 10 11.309 -2.771 -4.469
72 HA3 GLY 10 1HA GLY 10 12.641 -2.825 -3.318
73 H ASP 11 H ASP 11 10.430 -1.787 -1.338
74 HA ASP 11 HA ASP 11 9.755 -4.500 -0.476
75 HB2 ASP 11 2HB ASP 11 10.942 -3.046 1.136
76 HB3 ASP 11 1HB ASP 11 9.623 -1.884 1.050
77 H CYS 12 H CYS 12 7.729 -5.250 -0.672
78 HA CYS 12 HA CYS 12 5.739 -3.311 -1.485
79 HB2 CYS 12 2HB CYS 12 5.577 -6.274 -1.541
80 HB3 CYS 12 1HB CYS 12 4.355 -5.186 -2.132
81 H ARG 13 H ARG 13 4.174 -2.780 -0.496
82 HA ARG 13 HA ARG 13 3.446 -4.073 2.061
83 HB2 ARG 13 2HB ARG 13 4.639 -1.966 2.494
84 HB3 ARG 13 1HB ARG 13 3.541 -1.110 1.431
85 HG2 ARG 13 2HG ARG 13 2.935 -0.664 3.708
86 HG3 ARG 13 1HG ARG 13 1.688 -1.656 2.965
87 HD2 ARG 13 2HD ARG 13 2.655 -3.651 4.029
88 HD3 ARG 13 1HD ARG 13 3.876 -2.635 4.795
89 HE ARG 13 HE ARG 13 1.041 -2.088 5.269
90 HH11 ARG 13 1HH1 ARG 13 4.142 -3.223 6.555
91 HH12 ARG 13 2HH1 ARG 13 3.664 -3.101 8.176
92 HH21 ARG 13 1HH2 ARG 13 0.406 -1.906 7.473
93 HH22 ARG 13 2HH2 ARG 13 1.498 -2.299 8.726
94 H CYS 14 H CYS 14 1.383 -4.778 1.961
95 HA CYS 14 HA CYS 14 -0.280 -3.560 -0.056
96 HB2 CYS 14 2HB CYS 14 -0.751 -6.134 1.438
97 HB3 CYS 14 1HB CYS 14 -1.722 -5.524 0.097
98 H ILE 15 H ILE 15 -1.912 -2.391 0.266
99 HA ILE 15 HA ILE 15 -2.700 -1.811 3.055
100 HB ILE 15 HB ILE 15 -2.739 0.049 0.650
101 HG12 ILE 15 2HG1 ILE 15 -0.405 -0.431 1.279
102 HG13 ILE 15 1HG1 ILE 15 -0.826 1.239 1.629
103 HG21 ILE 15 1HG2 ILE 15 -3.140 1.839 2.277
104 HG22 ILE 15 2HG2 ILE 15 -3.179 0.642 3.568
105 HG23 ILE 15 3HG2 ILE 15 -4.412 0.615 2.309
106 HD11 ILE 15 3HD1 ILE 15 0.528 0.295 3.394
107 HD12 ILE 15 1HD1 ILE 15 -0.637 -1.012 3.621
108 HD13 ILE 15 2HD1 ILE 15 -1.092 0.653 3.992
109 H CYS 16 H CYS 16 -4.979 -1.772 3.372
110 HA CYS 16 HA CYS 16 -6.456 -2.480 0.998
111 HB2 CYS 16 2HB CYS 16 -7.305 -2.725 3.890
112 HB3 CYS 16 1HB CYS 16 -8.272 -3.222 2.506
113 H THR 17 H THR 17 -7.542 -1.108 -0.081
114 HA THR 17 HA THR 17 -8.167 1.421 1.253
115 HB THR 17 HB THR 17 -7.068 1.184 -1.509
116 HG1 THR 17 1HG THR 17 -5.815 0.954 0.896
117 HG21 THR 17 3HG2 THR 17 -6.417 3.547 -1.061
118 HG22 THR 17 1HG2 THR 17 -7.307 3.457 0.452
119 HG23 THR 17 2HG2 THR 17 -8.152 3.267 -1.099
120 H ARG 18 H ARG 18 -10.116 1.975 0.880
121 HA ARG 18 HA ARG 18 -12.230 2.264 0.138
122 HB2 ARG 18 2HB ARG 18 -10.859 2.057 -2.504
123 HB3 ARG 18 1HB ARG 18 -12.490 2.675 -2.269
124 HG2 ARG 18 2HG ARG 18 -11.603 4.462 -0.853
125 HG3 ARG 18 1HG ARG 18 -9.972 3.865 -1.110
126 HD2 ARG 18 2HD ARG 18 -10.347 5.696 -2.597
127 HD3 ARG 18 1HD ARG 18 -10.309 4.211 -3.551
128 HE ARG 18 HE ARG 18 -12.931 4.906 -2.728
129 HH11 ARG 18 1HH1 ARG 18 -10.496 5.457 -5.218
130 HH12 ARG 18 2HH1 ARG 18 -11.553 6.166 -6.332
131 HH21 ARG 18 1HH2 ARG 18 -14.434 5.832 -4.229
132 HH22 ARG 18 2HH2 ARG 18 -13.898 6.399 -5.738
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -11.672 -1.148 1.086
2 HA2 GLY 1 2HA GLY 1 -12.534 -3.321 1.307
3 HA3 GLY 1 1HA GLY 1 -13.764 -2.928 0.114
4 H ASP 2 H ASP 2 -10.695 -1.952 -0.918
5 HA ASP 2 HA ASP 2 -10.254 -4.449 -2.393
6 HB2 ASP 2 2HB ASP 2 -11.323 -2.928 -3.958
7 HB3 ASP 2 1HB ASP 2 -10.263 -1.615 -3.480
8 H CYS 3 H CYS 3 -8.096 -5.022 -2.499
9 HA CYS 3 HA CYS 3 -6.409 -3.212 -1.013
10 HB2 CYS 3 2HB CYS 3 -5.976 -6.129 -1.554
11 HB3 CYS 3 1HB CYS 3 -4.897 -5.099 -0.638
12 H ARG 4 H ARG 4 -4.738 -2.357 -1.735
13 HA ARG 4 HA ARG 4 -3.831 -2.985 -4.460
14 HB2 ARG 4 2HB ARG 4 -5.047 -0.873 -4.476
15 HB3 ARG 4 1HB ARG 4 -4.087 -0.279 -3.130
16 HG2 ARG 4 2HG ARG 4 -2.080 -0.342 -4.551
17 HG3 ARG 4 1HG ARG 4 -3.070 -0.896 -5.900
18 HD2 ARG 4 2HD ARG 4 -2.648 1.519 -5.991
19 HD3 ARG 4 1HD ARG 4 -4.359 1.145 -5.837
20 HE ARG 4 HE ARG 4 -3.186 1.550 -3.306
21 HH11 ARG 4 1HH1 ARG 4 -4.339 3.333 -6.132
22 HH12 ARG 4 2HH1 ARG 4 -4.676 4.768 -5.284
23 HH21 ARG 4 1HH2 ARG 4 -3.680 3.563 -2.103
24 HH22 ARG 4 2HH2 ARG 4 -4.265 4.899 -2.972
25 H CYS 5 H CYS 5 -1.872 -3.817 -4.306
26 HA CYS 5 HA CYS 5 -0.246 -3.022 -2.079
27 HB2 CYS 5 2HB CYS 5 0.236 -5.215 -4.076
28 HB3 CYS 5 1HB CYS 5 1.183 -4.910 -2.626
29 H LEU 6 H LEU 6 1.436 -1.987 -2.150
30 HA LEU 6 HA LEU 6 2.326 -0.940 -4.767
31 HB2 LEU 6 2HB LEU 6 0.966 0.702 -3.516
32 HB3 LEU 6 1HB LEU 6 2.067 0.571 -2.162
33 HG LEU 6 HG LEU 6 3.868 1.523 -3.594
34 HD11 LEU 6 1HD1 LEU 6 1.630 1.917 -5.569
35 HD12 LEU 6 2HD1 LEU 6 3.027 0.860 -5.771
36 HD13 LEU 6 3HD1 LEU 6 3.246 2.609 -5.694
37 HD21 LEU 6 3HD2 LEU 6 1.367 3.191 -3.352
38 HD22 LEU 6 1HD2 LEU 6 3.005 3.809 -3.578
39 HD23 LEU 6 2HD2 LEU 6 2.583 2.949 -2.095
40 H CYS 7 H CYS 7 4.541 -1.017 -5.047
41 HA CYS 7 HA CYS 7 6.006 -1.835 -2.682
42 HB2 CYS 7 2HB CYS 7 6.769 -2.345 -5.561
43 HB3 CYS 7 1HB CYS 7 7.625 -2.922 -4.137
44 H ARG 8 H ARG 8 7.768 -0.819 -2.044
45 HA ARG 8 HA ARG 8 8.676 1.508 -3.519
46 HB2 ARG 8 2HB ARG 8 6.854 2.315 -2.122
47 HB3 ARG 8 1HB ARG 8 7.522 1.499 -0.730
48 HG2 ARG 8 2HG ARG 8 9.279 3.038 -0.539
49 HG3 ARG 8 1HG ARG 8 8.966 3.726 -2.140
50 HD2 ARG 8 2HD ARG 8 7.045 3.810 0.184
51 HD3 ARG 8 1HD ARG 8 8.130 5.127 -0.252
52 HE ARG 8 HE ARG 8 6.937 4.836 -2.536
53 HH11 ARG 8 1HH1 ARG 8 5.324 4.644 0.622
54 HH12 ARG 8 2HH1 ARG 8 3.885 5.367 0.089
55 HH21 ARG 8 1HH2 ARG 8 4.961 5.818 -3.257
56 HH22 ARG 8 2HH2 ARG 8 3.653 6.025 -2.197
57 H ARG 9 H ARG 9 10.792 1.491 -3.509
58 HA ARG 9 HA ARG 9 12.986 1.266 -2.966
59 HB2 ARG 9 2HB ARG 9 12.053 0.814 -0.139
60 HB3 ARG 9 1HB ARG 9 13.689 1.228 -0.618
61 HG2 ARG 9 2HG ARG 9 11.248 2.980 -0.871
62 HG3 ARG 9 1HG ARG 9 12.530 3.146 0.327
63 HD2 ARG 9 2HD ARG 9 12.887 3.399 -2.653
64 HD3 ARG 9 1HD ARG 9 12.688 4.752 -1.541
65 HE ARG 9 HE ARG 9 14.836 3.054 -0.786
66 HH11 ARG 9 1HH1 ARG 9 13.953 5.616 -3.054
67 HH12 ARG 9 2HH1 ARG 9 15.530 6.245 -3.172
68 HH21 ARG 9 1HH2 ARG 9 16.988 3.896 -0.953
69 HH22 ARG 9 2HH2 ARG 9 17.320 5.233 -1.958
70 H GLY 10 H GLY 10 11.163 -1.082 -3.421
71 HA2 GLY 10 2HA GLY 10 11.862 -3.278 -3.968
72 HA3 GLY 10 1HA GLY 10 13.170 -3.127 -2.806
73 H ASP 11 H ASP 11 10.576 -1.970 -1.237
74 HA ASP 11 HA ASP 11 9.928 -4.581 -0.051
75 HB2 ASP 11 2HB ASP 11 10.979 -3.060 1.550
76 HB3 ASP 11 1HB ASP 11 9.857 -1.780 1.112
77 H CYS 12 H CYS 12 7.756 -5.166 0.047
78 HA CYS 12 HA CYS 12 6.052 -3.280 -1.346
79 HB2 CYS 12 2HB CYS 12 5.656 -6.234 -1.118
80 HB3 CYS 12 1HB CYS 12 4.584 -5.133 -1.942
81 H ARG 13 H ARG 13 4.267 -2.646 -0.689
82 HA ARG 13 HA ARG 13 3.439 -3.260 2.073
83 HB2 ARG 13 2HB ARG 13 4.488 -1.108 2.076
84 HB3 ARG 13 1HB ARG 13 3.637 -0.629 0.620
85 HG2 ARG 13 2HG ARG 13 1.507 -0.731 1.887
86 HG3 ARG 13 1HG ARG 13 2.439 -1.069 3.341
87 HD2 ARG 13 2HD ARG 13 3.558 1.064 3.163
88 HD3 ARG 13 1HD ARG 13 2.794 1.363 1.601
89 HE ARG 13 HE ARG 13 0.987 0.924 3.794
90 HH11 ARG 13 1HH1 ARG 13 2.821 3.325 1.962
91 HH12 ARG 13 2HH1 ARG 13 1.793 4.629 2.322
92 HH21 ARG 13 1HH2 ARG 13 -0.474 2.741 4.279
93 HH22 ARG 13 2HH2 ARG 13 -0.134 4.279 3.628
94 H CYS 14 H CYS 14 1.413 -4.097 2.040
95 HA CYS 14 HA CYS 14 -0.175 -3.375 -0.201
96 HB2 CYS 14 2HB CYS 14 -0.575 -5.544 1.853
97 HB3 CYS 14 1HB CYS 14 -1.803 -5.159 0.653
98 H ILE 15 H ILE 15 -1.821 -1.984 -0.159
99 HA ILE 15 HA ILE 15 -2.653 -0.951 2.465
100 HB ILE 15 HB ILE 15 -2.819 0.482 -0.202
101 HG12 ILE 15 2HG1 ILE 15 -0.660 0.853 1.892
102 HG13 ILE 15 1HG1 ILE 15 -0.433 -0.043 0.391
103 HG21 ILE 15 1HG2 ILE 15 -4.311 1.318 1.515
104 HG22 ILE 15 2HG2 ILE 15 -2.995 2.480 1.276
105 HG23 ILE 15 3HG2 ILE 15 -2.978 1.403 2.665
106 HD11 ILE 15 3HD1 ILE 15 -0.865 1.985 -0.889
107 HD12 ILE 15 1HD1 ILE 15 0.463 2.218 0.247
108 HD13 ILE 15 2HD1 ILE 15 -1.133 2.882 0.606
109 H CYS 16 H CYS 16 -4.773 -1.440 2.885
110 HA CYS 16 HA CYS 16 -6.419 -2.041 0.568
111 HB2 CYS 16 2HB CYS 16 -6.847 -2.895 3.437
112 HB3 CYS 16 1HB CYS 16 -7.881 -3.326 2.081
113 H THR 17 H THR 17 -7.965 -0.719 0.014
114 HA THR 17 HA THR 17 -9.200 0.927 2.026
115 HB THR 17 HB THR 17 -7.317 2.169 1.152
116 HG1 THR 17 1HG THR 17 -9.375 3.208 1.731
117 HG21 THR 17 3HG2 THR 17 -8.703 2.008 -1.523
118 HG22 THR 17 1HG2 THR 17 -7.131 1.329 -1.111
119 HG23 THR 17 2HG2 THR 17 -7.343 3.079 -1.179
120 H ARG 18 H ARG 18 -11.205 1.544 1.477
121 HA ARG 18 HA ARG 18 -13.302 1.414 0.627
122 HB2 ARG 18 2HB ARG 18 -11.884 1.180 -2.018
123 HB3 ARG 18 1HB ARG 18 -13.565 1.648 -1.775
124 HG2 ARG 18 2HG ARG 18 -12.880 3.682 -0.657
125 HG3 ARG 18 1HG ARG 18 -11.187 3.198 -0.769
126 HD2 ARG 18 2HD ARG 18 -11.417 3.202 -3.243
127 HD3 ARG 18 1HD ARG 18 -13.051 3.834 -3.048
128 HE ARG 18 HE ARG 18 -11.369 5.493 -1.631
129 HH11 ARG 18 1HH1 ARG 18 -11.829 4.575 -5.019
130 HH12 ARG 18 2HH1 ARG 18 -11.187 5.995 -5.670
131 HH21 ARG 18 1HH2 ARG 18 -10.460 7.494 -2.503
132 HH22 ARG 18 2HH2 ARG 18 -10.397 7.707 -4.178