Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
558256 | 2m2y RC | 18938 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 1HT ARG 1 -3.334 6.864 1.947
2 H2 ARG 1 2HT ARG 1 -3.659 5.368 1.268
3 H3 ARG 1 3HT ARG 1 -2.233 6.185 0.838
4 HA ARG 1 HA ARG 1 -1.505 5.994 3.152
5 HB2 ARG 1 2HB ARG 1 -3.708 5.784 4.128
6 HB3 ARG 1 1HB ARG 1 -3.958 4.277 3.254
7 HG2 ARG 1 2HG ARG 1 -2.135 3.260 4.536
8 HG3 ARG 1 1HG ARG 1 -1.967 4.761 5.449
9 HD2 ARG 1 2HD ARG 1 -4.227 4.569 6.248
10 HD3 ARG 1 1HD ARG 1 -4.476 3.123 5.269
11 HE ARG 1 HE ARG 1 -2.584 3.325 7.503
12 HH11 ARG 1 1HH1 ARG 1 -4.744 1.373 5.450
13 HH12 ARG 1 2HH1 ARG 1 -4.773 0.053 6.511
14 HH21 ARG 1 1HH2 ARG 1 -2.538 1.444 8.869
15 HH22 ARG 1 2HH2 ARG 1 -3.450 0.063 8.507
16 H CYS 2 H CYS 2 0.251 5.099 2.123
17 HA CYS 2 HA CYS 2 0.012 2.255 1.704
18 HB2 CYS 2 2HB CYS 2 1.815 4.203 0.255
19 HB3 CYS 2 1HB CYS 2 1.934 2.452 0.109
20 H VAL 3 H VAL 3 1.614 0.930 2.661
21 HA VAL 3 HA VAL 3 2.967 2.359 4.789
22 HB VAL 3 HB VAL 3 2.190 -0.569 4.601
23 HG11 VAL 3 1HG1 VAL 3 3.347 0.990 6.913
24 HG12 VAL 3 2HG1 VAL 3 4.186 -0.235 5.966
25 HG13 VAL 3 3HG1 VAL 3 2.810 -0.690 6.975
26 HG21 VAL 3 3HG2 VAL 3 0.227 0.859 4.850
27 HG22 VAL 3 1HG2 VAL 3 0.966 1.662 6.234
28 HG23 VAL 3 2HG2 VAL 3 0.523 -0.043 6.337
29 H CYS 4 H CYS 4 5.078 2.525 4.560
30 HA CYS 4 HA CYS 4 6.386 0.580 2.814
31 HB2 CYS 4 2HB CYS 4 7.334 3.341 3.505
32 HB3 CYS 4 1HB CYS 4 8.091 2.214 2.403
33 H ARG 5 H ARG 5 7.886 -0.572 3.494
34 HA ARG 5 HA ARG 5 9.055 -0.088 6.134
35 HB2 ARG 5 2HB ARG 5 8.067 -2.730 5.039
36 HB3 ARG 5 1HB ARG 5 9.020 -2.557 6.509
37 HG2 ARG 5 2HG ARG 5 7.240 -1.278 7.550
38 HG3 ARG 5 1HG ARG 5 6.298 -1.338 6.061
39 HD2 ARG 5 2HD ARG 5 7.128 -3.720 7.712
40 HD3 ARG 5 1HD ARG 5 5.529 -2.981 7.707
41 HE ARG 5 HE ARG 5 6.066 -3.574 5.091
42 HH11 ARG 5 1HH1 ARG 5 5.701 -5.412 8.081
43 HH12 ARG 5 2HH1 ARG 5 5.279 -6.868 7.305
44 HH21 ARG 5 1HH2 ARG 5 5.450 -5.502 4.038
45 HH22 ARG 5 2HH2 ARG 5 5.129 -6.921 4.926
46 H ARG 6 H ARG 6 10.933 0.625 5.429
47 HA ARG 6 HA ARG 6 13.025 0.681 4.626
48 HB2 ARG 6 2HB ARG 6 13.180 -1.372 6.040
49 HB3 ARG 6 1HB ARG 6 12.777 -2.342 4.637
50 HG2 ARG 6 2HG ARG 6 14.842 -1.620 3.547
51 HG3 ARG 6 1HG ARG 6 15.231 -0.636 4.956
52 HD2 ARG 6 2HD ARG 6 14.821 -3.613 4.993
53 HD3 ARG 6 1HD ARG 6 16.393 -2.816 4.937
54 HE ARG 6 HE ARG 6 15.284 -1.717 7.101
55 HH11 ARG 6 1HH1 ARG 6 15.591 -5.090 6.101
56 HH12 ARG 6 2HH1 ARG 6 15.667 -5.719 7.685
57 HH21 ARG 6 1HH2 ARG 6 15.469 -2.540 9.281
58 HH22 ARG 6 2HH2 ARG 6 15.622 -4.220 9.548
59 H GLY 7 H GLY 7 11.190 1.198 2.764
60 HA2 GLY 7 2HA GLY 7 11.444 1.672 0.509
61 HA3 GLY 7 1HA GLY 7 12.547 0.307 0.407
62 H VAL 8 H VAL 8 10.398 -1.328 1.901
63 HA VAL 8 HA VAL 8 9.061 -2.163 -0.535
64 HB VAL 8 HB VAL 8 8.782 -3.339 2.255
65 HG11 VAL 8 1HG1 VAL 8 8.165 -4.514 -0.459
66 HG12 VAL 8 2HG1 VAL 8 6.978 -3.957 0.718
67 HG13 VAL 8 3HG1 VAL 8 8.001 -5.347 1.088
68 HG21 VAL 8 3HG2 VAL 8 10.617 -4.207 0.030
69 HG22 VAL 8 1HG2 VAL 8 10.408 -5.032 1.571
70 HG23 VAL 8 2HG2 VAL 8 11.121 -3.417 1.526
71 H CYS 9 H CYS 9 7.397 -0.912 -1.071
72 HA CYS 9 HA CYS 9 5.647 0.090 1.043
73 HB2 CYS 9 2HB CYS 9 5.947 0.926 -1.837
74 HB3 CYS 9 1HB CYS 9 4.790 1.621 -0.708
75 H ARG 10 H ARG 10 3.757 -0.780 1.410
76 HA ARG 10 HA ARG 10 2.438 -2.147 -0.792
77 HB2 ARG 10 2HB ARG 10 3.488 -3.846 0.705
78 HB3 ARG 10 1HB ARG 10 2.611 -3.161 2.068
79 HG2 ARG 10 2HG ARG 10 0.501 -3.747 1.041
80 HG3 ARG 10 1HG ARG 10 1.349 -4.356 -0.374
81 HD2 ARG 10 2HD ARG 10 2.398 -6.079 1.002
82 HD3 ARG 10 1HD ARG 10 1.529 -5.472 2.417
83 HE ARG 10 HE ARG 10 -0.474 -5.885 0.780
84 HH11 ARG 10 1HH1 ARG 10 2.257 -8.057 1.509
85 HH12 ARG 10 2HH1 ARG 10 1.415 -9.468 1.094
86 HH21 ARG 10 1HH2 ARG 10 -1.631 -7.859 0.241
87 HH22 ARG 10 2HH2 ARG 10 -0.824 -9.354 0.368
88 H CYS 11 H CYS 11 0.347 -1.502 -0.957
89 HA CYS 11 HA CYS 11 -0.396 0.514 0.946
90 HB2 CYS 11 2HB CYS 11 -1.695 -0.227 -1.636
91 HB3 CYS 11 1HB CYS 11 -2.030 1.208 -0.683
92 H VAL 12 H VAL 12 -1.511 -0.003 2.549
93 HA VAL 12 HA VAL 12 -3.306 -2.296 2.458
94 HB VAL 12 HB VAL 12 -2.623 -0.517 4.837
95 HG11 VAL 12 1HG1 VAL 12 -4.715 -1.735 5.096
96 HG12 VAL 12 2HG1 VAL 12 -3.491 -2.364 6.195
97 HG13 VAL 12 3HG1 VAL 12 -3.893 -3.253 4.726
98 HG21 VAL 12 3HG2 VAL 12 -1.110 -2.316 5.575
99 HG22 VAL 12 1HG2 VAL 12 -0.596 -1.610 4.042
100 HG23 VAL 12 2HG2 VAL 12 -1.410 -3.173 4.061
101 H CYS 13 H CYS 13 -4.930 -1.539 1.237
102 HA CYS 13 HA CYS 13 -6.011 1.081 1.676
103 HB2 CYS 13 2HB CYS 13 -6.895 -1.085 -0.189
104 HB3 CYS 13 1HB CYS 13 -7.258 0.622 -0.283
105 H ARG 14 H ARG 14 -8.256 1.330 1.988
106 HA ARG 14 HA ARG 14 -9.458 -0.792 3.593
107 HB2 ARG 14 2HB ARG 14 -10.199 2.134 3.302
108 HB3 ARG 14 1HB ARG 14 -11.045 0.986 4.326
109 HG2 ARG 14 2HG ARG 14 -9.008 0.714 5.671
110 HG3 ARG 14 1HG ARG 14 -8.181 1.885 4.639
111 HD2 ARG 14 2HD ARG 14 -9.834 3.581 5.263
112 HD3 ARG 14 1HD ARG 14 -10.645 2.395 6.283
113 HE ARG 14 HE ARG 14 -7.950 2.620 7.046
114 HH11 ARG 14 1HH1 ARG 14 -11.021 4.372 7.265
115 HH12 ARG 14 2HH1 ARG 14 -10.571 5.244 8.656
116 HH21 ARG 14 1HH2 ARG 14 -7.348 3.823 8.950
117 HH22 ARG 14 2HH2 ARG 14 -8.440 4.944 9.632
118 H ARG 15 H ARG 15 -9.984 -2.064 1.864
119 HA ARG 15 HA ARG 15 -10.793 -2.757 -0.090
120 HB2 ARG 15 2HB ARG 15 -12.384 -3.191 1.637
121 HB3 ARG 15 1HB ARG 15 -13.117 -1.624 1.374
122 HG2 ARG 15 2HG ARG 15 -14.510 -3.396 0.382
123 HG3 ARG 15 1HG ARG 15 -13.790 -2.446 -0.921
124 HD2 ARG 15 2HD ARG 15 -13.646 -4.848 -1.394
125 HD3 ARG 15 1HD ARG 15 -12.041 -4.146 -1.194
126 HE ARG 15 HE ARG 15 -12.960 -5.107 1.268
127 HH11 ARG 15 1HH1 ARG 15 -11.702 -6.389 -1.807
128 HH12 ARG 15 2HH1 ARG 15 -11.177 -7.841 -1.096
129 HH21 ARG 15 1HH2 ARG 15 -12.247 -7.057 2.175
130 HH22 ARG 15 2HH2 ARG 15 -11.487 -8.246 1.214
131 H GLY 16 H GLY 16 -9.590 -0.896 -1.160
132 HA2 GLY 16 2HA GLY 16 -9.845 0.097 -3.323
133 HA3 GLY 16 1HA GLY 16 -11.522 0.449 -2.930
134 H VAL 17 H VAL 17 -10.513 1.448 -0.214
135 HA VAL 17 HA VAL 17 -9.843 4.111 -1.149
136 HB VAL 17 HB VAL 17 -10.604 3.195 1.652
137 HG11 VAL 17 1HG1 VAL 17 -9.287 5.248 1.669
138 HG12 VAL 17 2HG1 VAL 17 -10.958 5.587 2.121
139 HG13 VAL 17 3HG1 VAL 17 -10.384 5.975 0.498
140 HG21 VAL 17 3HG2 VAL 17 -12.799 4.212 1.223
141 HG22 VAL 17 1HG2 VAL 17 -12.468 2.888 0.110
142 HG23 VAL 17 2HG2 VAL 17 -12.312 4.556 -0.436
143 H CYS 18 H CYS 18 -7.823 3.675 -1.690
144 HA CYS 18 HA CYS 18 -5.883 2.671 0.187
145 HB2 CYS 18 2HB CYS 18 -5.538 3.829 -2.573
146 HB3 CYS 18 1HB CYS 18 -4.245 3.097 -1.626
Start of MODEL 2
1 H1 ARG 1 1HT ARG 1 -3.765 3.074 2.505
2 H2 ARG 1 2HT ARG 1 -3.521 3.766 1.011
3 H3 ARG 1 3HT ARG 1 -4.450 4.586 2.131
4 HA ARG 1 HA ARG 1 -2.205 5.502 1.889
5 HB2 ARG 1 2HB ARG 1 -2.642 4.009 4.482
6 HB3 ARG 1 1HB ARG 1 -1.392 5.219 4.254
7 HG2 ARG 1 2HG ARG 1 -4.350 5.706 3.986
8 HG3 ARG 1 1HG ARG 1 -3.371 6.094 5.408
9 HD2 ARG 1 2HD ARG 1 -2.011 7.600 4.052
10 HD3 ARG 1 1HD ARG 1 -2.979 7.216 2.635
11 HE ARG 1 HE ARG 1 -4.665 8.128 4.645
12 HH11 ARG 1 1HH1 ARG 1 -2.066 9.348 2.546
13 HH12 ARG 1 2HH1 ARG 1 -2.649 10.938 2.495
14 HH21 ARG 1 1HH2 ARG 1 -5.472 10.371 4.571
15 HH22 ARG 1 2HH2 ARG 1 -4.630 11.527 3.658
16 H CYS 2 H CYS 2 -0.138 5.123 1.343
17 HA CYS 2 HA CYS 2 0.661 2.335 1.340
18 HB2 CYS 2 2HB CYS 2 1.717 4.631 -0.322
19 HB3 CYS 2 1HB CYS 2 2.276 2.966 -0.400
20 H VAL 3 H VAL 3 2.236 1.593 2.508
21 HA VAL 3 HA VAL 3 3.656 3.560 4.153
22 HB VAL 3 HB VAL 3 2.992 0.674 4.802
23 HG11 VAL 3 1HG1 VAL 3 4.996 1.447 5.919
24 HG12 VAL 3 2HG1 VAL 3 3.686 1.247 7.082
25 HG13 VAL 3 3HG1 VAL 3 4.134 2.860 6.529
26 HG21 VAL 3 3HG2 VAL 3 0.945 1.998 4.747
27 HG22 VAL 3 1HG2 VAL 3 1.679 3.193 5.814
28 HG23 VAL 3 2HG2 VAL 3 1.357 1.566 6.412
29 H CYS 4 H CYS 4 5.770 3.625 3.737
30 HA CYS 4 HA CYS 4 6.947 1.300 2.421
31 HB2 CYS 4 2HB CYS 4 8.096 4.039 2.667
32 HB3 CYS 4 1HB CYS 4 8.724 2.740 1.676
33 H ARG 5 H ARG 5 8.060 0.104 3.464
34 HA ARG 5 HA ARG 5 9.622 0.927 5.760
35 HB2 ARG 5 2HB ARG 5 7.394 0.392 6.663
36 HB3 ARG 5 1HB ARG 5 7.479 -1.190 5.914
37 HG2 ARG 5 2HG ARG 5 9.209 -1.882 7.389
38 HG3 ARG 5 1HG ARG 5 9.426 -0.236 7.999
39 HD2 ARG 5 2HD ARG 5 6.940 -1.922 8.306
40 HD3 ARG 5 1HD ARG 5 8.125 -1.584 9.572
41 HE ARG 5 HE ARG 5 7.405 0.855 8.668
42 HH11 ARG 5 1HH1 ARG 5 5.555 -1.848 10.043
43 HH12 ARG 5 2HH1 ARG 5 4.298 -0.864 10.623
44 HH21 ARG 5 1HH2 ARG 5 5.708 2.168 9.422
45 HH22 ARG 5 2HH2 ARG 5 4.395 1.504 10.290
46 H ARG 6 H ARG 6 11.458 -0.237 5.857
47 HA ARG 6 HA ARG 6 13.083 -1.714 5.372
48 HB2 ARG 6 2HB ARG 6 11.415 -3.303 6.377
49 HB3 ARG 6 1HB ARG 6 10.802 -3.624 4.771
50 HG2 ARG 6 2HG ARG 6 13.021 -4.565 4.170
51 HG3 ARG 6 1HG ARG 6 13.524 -4.326 5.850
52 HD2 ARG 6 2HD ARG 6 12.767 -6.618 5.489
53 HD3 ARG 6 1HD ARG 6 11.697 -5.770 6.604
54 HE ARG 6 HE ARG 6 11.131 -6.246 3.760
55 HH11 ARG 6 1HH1 ARG 6 9.958 -5.902 7.098
56 HH12 ARG 6 2HH1 ARG 6 8.337 -6.244 6.711
57 HH21 ARG 6 1HH2 ARG 6 8.858 -6.689 3.256
58 HH22 ARG 6 2HH2 ARG 6 7.695 -6.707 4.499
59 H GLY 7 H GLY 7 11.962 -0.005 3.396
60 HA2 GLY 7 2HA GLY 7 12.693 0.559 1.281
61 HA3 GLY 7 1HA GLY 7 13.367 -1.057 1.162
62 H VAL 8 H VAL 8 10.190 -1.497 2.067
63 HA VAL 8 HA VAL 8 9.383 -1.600 -0.741
64 HB VAL 8 HB VAL 8 9.754 -3.884 0.222
65 HG11 VAL 8 1HG1 VAL 8 9.178 -3.525 2.526
66 HG12 VAL 8 2HG1 VAL 8 8.187 -4.820 1.854
67 HG13 VAL 8 3HG1 VAL 8 7.501 -3.211 2.086
68 HG21 VAL 8 3HG2 VAL 8 8.196 -3.648 -1.611
69 HG22 VAL 8 1HG2 VAL 8 6.885 -3.284 -0.490
70 HG23 VAL 8 2HG2 VAL 8 7.619 -4.888 -0.499
71 H CYS 9 H CYS 9 7.350 -0.873 -1.247
72 HA CYS 9 HA CYS 9 5.958 0.493 0.926
73 HB2 CYS 9 2HB CYS 9 5.813 0.983 -2.057
74 HB3 CYS 9 1HB CYS 9 4.972 1.901 -0.811
75 H ARG 10 H ARG 10 4.276 -0.428 1.689
76 HA ARG 10 HA ARG 10 2.807 -2.414 0.076
77 HB2 ARG 10 2HB ARG 10 3.955 -3.122 2.221
78 HB3 ARG 10 1HB ARG 10 2.917 -2.004 3.077
79 HG2 ARG 10 2HG ARG 10 2.020 -4.180 3.388
80 HG3 ARG 10 1HG ARG 10 0.957 -3.352 2.258
81 HD2 ARG 10 2HD ARG 10 3.179 -5.146 1.330
82 HD3 ARG 10 1HD ARG 10 1.596 -5.784 1.743
83 HE ARG 10 HE ARG 10 0.774 -4.146 -0.004
84 HH11 ARG 10 1HH1 ARG 10 3.911 -5.800 -0.259
85 HH12 ARG 10 2HH1 ARG 10 3.929 -5.757 -1.962
86 HH21 ARG 10 1HH2 ARG 10 0.787 -4.181 -2.320
87 HH22 ARG 10 2HH2 ARG 10 2.096 -4.853 -3.162
88 H CYS 11 H CYS 11 0.749 -1.679 -0.542
89 HA CYS 11 HA CYS 11 -0.139 0.675 0.837
90 HB2 CYS 11 2HB CYS 11 -1.121 -0.510 -1.717
91 HB3 CYS 11 1HB CYS 11 -1.680 0.983 -0.989
92 H VAL 12 H VAL 12 -1.394 0.628 2.290
93 HA VAL 12 HA VAL 12 -3.079 -1.678 2.798
94 HB VAL 12 HB VAL 12 -2.557 0.786 4.497
95 HG11 VAL 12 1HG1 VAL 12 -3.802 -1.867 5.217
96 HG12 VAL 12 2HG1 VAL 12 -4.652 -0.334 5.060
97 HG13 VAL 12 3HG1 VAL 12 -3.458 -0.554 6.339
98 HG21 VAL 12 3HG2 VAL 12 -1.054 -0.641 5.817
99 HG22 VAL 12 1HG2 VAL 12 -0.496 -0.458 4.156
100 HG23 VAL 12 2HG2 VAL 12 -1.289 -1.950 4.654
101 H CYS 13 H CYS 13 -5.082 -1.587 2.124
102 HA CYS 13 HA CYS 13 -6.497 0.936 1.989
103 HB2 CYS 13 2HB CYS 13 -5.545 0.744 -0.184
104 HB3 CYS 13 1HB CYS 13 -6.109 -0.939 -0.350
105 H ARG 14 H ARG 14 -8.677 0.556 1.591
106 HA ARG 14 HA ARG 14 -9.630 -2.037 2.592
107 HB2 ARG 14 2HB ARG 14 -10.571 0.686 3.491
108 HB3 ARG 14 1HB ARG 14 -11.490 -0.780 3.791
109 HG2 ARG 14 2HG ARG 14 -9.638 -1.684 5.078
110 HG3 ARG 14 1HG ARG 14 -8.683 -0.237 4.748
111 HD2 ARG 14 2HD ARG 14 -10.302 1.117 5.934
112 HD3 ARG 14 1HD ARG 14 -11.320 -0.296 6.211
113 HE ARG 14 HE ARG 14 -9.048 -1.074 7.309
114 HH11 ARG 14 1HH1 ARG 14 -10.695 2.035 7.605
115 HH12 ARG 14 2HH1 ARG 14 -10.293 2.310 9.221
116 HH21 ARG 14 1HH2 ARG 14 -8.437 -0.720 9.584
117 HH22 ARG 14 2HH2 ARG 14 -8.923 0.695 10.374
118 H ARG 15 H ARG 15 -9.861 -2.545 0.441
119 HA ARG 15 HA ARG 15 -10.769 -2.739 -1.552
120 HB2 ARG 15 2HB ARG 15 -12.059 -4.011 -0.011
121 HB3 ARG 15 1HB ARG 15 -13.065 -2.627 0.335
122 HG2 ARG 15 2HG ARG 15 -14.151 -4.382 -1.118
123 HG3 ARG 15 1HG ARG 15 -14.048 -2.816 -1.927
124 HD2 ARG 15 2HD ARG 15 -13.394 -4.796 -3.336
125 HD3 ARG 15 1HD ARG 15 -12.198 -3.509 -3.234
126 HE ARG 15 HE ARG 15 -11.857 -5.663 -1.326
127 HH11 ARG 15 1HH1 ARG 15 -11.038 -4.479 -4.538
128 HH12 ARG 15 2HH1 ARG 15 -9.566 -5.323 -4.639
129 HH21 ARG 15 1HH2 ARG 15 -9.823 -6.785 -1.430
130 HH22 ARG 15 2HH2 ARG 15 -8.835 -6.654 -2.805
131 H GLY 16 H GLY 16 -9.981 -0.272 -1.566
132 HA2 GLY 16 2HA GLY 16 -10.601 1.245 -3.376
133 HA3 GLY 16 1HA GLY 16 -12.241 1.189 -2.745
134 H VAL 17 H VAL 17 -11.326 1.334 0.057
135 HA VAL 17 HA VAL 17 -10.934 4.208 0.124
136 HB VAL 17 HB VAL 17 -11.255 2.314 2.486
137 HG11 VAL 17 1HG1 VAL 17 -10.289 4.463 3.088
138 HG12 VAL 17 2HG1 VAL 17 -11.936 4.331 3.717
139 HG13 VAL 17 3HG1 VAL 17 -11.619 5.302 2.284
140 HG21 VAL 17 3HG2 VAL 17 -13.218 2.147 1.044
141 HG22 VAL 17 1HG2 VAL 17 -13.389 3.901 1.054
142 HG23 VAL 17 2HG2 VAL 17 -13.619 2.986 2.542
143 H CYS 18 H CYS 18 -8.937 4.092 -0.760
144 HA CYS 18 HA CYS 18 -6.775 2.830 0.706
145 HB2 CYS 18 2HB CYS 18 -6.738 4.302 -1.940
146 HB3 CYS 18 1HB CYS 18 -5.416 3.376 -1.256
Start of MODEL 3
1 H1 ARG 1 1HT ARG 1 -4.207 3.155 2.608
2 H2 ARG 1 2HT ARG 1 -4.964 3.390 4.113
3 H3 ARG 1 3HT ARG 1 -4.418 1.872 3.670
4 HA ARG 1 HA ARG 1 -2.634 4.179 4.024
5 HB2 ARG 1 2HB ARG 1 -3.454 2.007 5.923
6 HB3 ARG 1 1HB ARG 1 -1.834 2.662 6.008
7 HG2 ARG 1 2HG ARG 1 -4.387 4.234 6.340
8 HG3 ARG 1 1HG ARG 1 -3.314 3.700 7.634
9 HD2 ARG 1 2HD ARG 1 -1.464 4.970 6.500
10 HD3 ARG 1 1HD ARG 1 -2.687 5.638 5.428
11 HE ARG 1 HE ARG 1 -3.381 6.035 8.127
12 HH11 ARG 1 1HH1 ARG 1 -1.283 7.258 5.560
13 HH12 ARG 1 2HH1 ARG 1 -1.066 8.787 6.251
14 HH21 ARG 1 1HH2 ARG 1 -3.100 8.151 9.095
15 HH22 ARG 1 2HH2 ARG 1 -2.107 9.299 8.331
16 H CYS 2 H CYS 2 -1.204 3.798 2.367
17 HA CYS 2 HA CYS 2 0.033 1.147 2.394
18 HB2 CYS 2 2HB CYS 2 0.237 3.345 0.315
19 HB3 CYS 2 1HB CYS 2 0.987 1.766 0.210
20 H VAL 3 H VAL 3 2.008 1.023 3.404
21 HA VAL 3 HA VAL 3 3.431 3.554 3.800
22 HB VAL 3 HB VAL 3 3.339 1.174 5.691
23 HG11 VAL 3 1HG1 VAL 3 5.466 2.337 5.782
24 HG12 VAL 3 2HG1 VAL 3 4.539 2.629 7.259
25 HG13 VAL 3 3HG1 VAL 3 4.637 3.875 6.018
26 HG21 VAL 3 3HG2 VAL 3 2.064 3.898 5.986
27 HG22 VAL 3 1HG2 VAL 3 2.095 2.641 7.223
28 HG23 VAL 3 2HG2 VAL 3 1.212 2.379 5.717
29 H CYS 4 H CYS 4 5.334 3.531 2.791
30 HA CYS 4 HA CYS 4 6.558 0.931 2.280
31 HB2 CYS 4 2HB CYS 4 7.065 3.495 0.835
32 HB3 CYS 4 1HB CYS 4 7.667 1.912 0.400
33 H ARG 5 H ARG 5 8.203 0.507 3.240
34 HA ARG 5 HA ARG 5 9.913 2.582 4.424
35 HB2 ARG 5 2HB ARG 5 8.591 1.467 6.176
36 HB3 ARG 5 1HB ARG 5 9.180 -0.097 5.623
37 HG2 ARG 5 2HG ARG 5 11.463 0.575 6.191
38 HG3 ARG 5 1HG ARG 5 10.839 2.117 6.776
39 HD2 ARG 5 2HD ARG 5 9.519 0.939 8.463
40 HD3 ARG 5 1HD ARG 5 10.135 -0.605 7.867
41 HE ARG 5 HE ARG 5 12.316 0.974 8.418
42 HH11 ARG 5 1HH1 ARG 5 9.707 -0.520 10.252
43 HH12 ARG 5 2HH1 ARG 5 10.600 -0.629 11.713
44 HH21 ARG 5 1HH2 ARG 5 13.513 0.864 10.413
45 HH22 ARG 5 2HH2 ARG 5 12.788 0.172 11.800
46 H ARG 6 H ARG 6 11.775 2.534 3.440
47 HA ARG 6 HA ARG 6 13.647 1.923 2.369
48 HB2 ARG 6 2HB ARG 6 13.957 0.696 4.557
49 HB3 ARG 6 1HB ARG 6 13.282 -0.732 3.802
50 HG2 ARG 6 2HG ARG 6 15.143 -0.744 2.195
51 HG3 ARG 6 1HG ARG 6 15.835 0.657 3.022
52 HD2 ARG 6 2HD ARG 6 16.113 -0.625 5.041
53 HD3 ARG 6 1HD ARG 6 15.258 -1.986 4.324
54 HE ARG 6 HE ARG 6 17.895 -1.006 3.454
55 HH11 ARG 6 1HH1 ARG 6 15.586 -3.676 3.895
56 HH12 ARG 6 2HH1 ARG 6 16.621 -4.854 3.258
57 HH21 ARG 6 1HH2 ARG 6 19.304 -2.613 2.620
58 HH22 ARG 6 2HH2 ARG 6 18.818 -4.241 2.495
59 H GLY 7 H GLY 7 11.260 1.650 0.952
60 HA2 GLY 7 2HA GLY 7 10.888 1.052 -1.244
61 HA3 GLY 7 1HA GLY 7 12.138 -0.170 -1.068
62 H VAL 8 H VAL 8 10.522 -0.900 1.527
63 HA VAL 8 HA VAL 8 8.932 -2.919 0.164
64 HB VAL 8 HB VAL 8 9.510 -2.625 3.121
65 HG11 VAL 8 1HG1 VAL 8 7.565 -4.010 2.660
66 HG12 VAL 8 2HG1 VAL 8 8.899 -4.999 3.257
67 HG13 VAL 8 3HG1 VAL 8 8.508 -4.990 1.537
68 HG21 VAL 8 3HG2 VAL 8 11.597 -2.878 1.949
69 HG22 VAL 8 1HG2 VAL 8 10.962 -4.250 1.039
70 HG23 VAL 8 2HG2 VAL 8 11.215 -4.385 2.781
71 H CYS 9 H CYS 9 6.876 -2.504 -0.183
72 HA CYS 9 HA CYS 9 5.514 -0.530 1.474
73 HB2 CYS 9 2HB CYS 9 4.774 -1.660 -1.220
74 HB3 CYS 9 1HB CYS 9 3.867 -0.438 -0.337
75 H ARG 10 H ARG 10 4.091 -1.056 2.876
76 HA ARG 10 HA ARG 10 2.697 -3.612 2.642
77 HB2 ARG 10 2HB ARG 10 4.210 -3.647 4.593
78 HB3 ARG 10 1HB ARG 10 3.576 -2.101 5.128
79 HG2 ARG 10 2HG ARG 10 2.702 -3.978 6.448
80 HG3 ARG 10 1HG ARG 10 1.420 -3.108 5.606
81 HD2 ARG 10 2HD ARG 10 1.420 -4.827 3.860
82 HD3 ARG 10 1HD ARG 10 2.675 -5.712 4.726
83 HE ARG 10 HE ARG 10 0.888 -5.650 6.600
84 HH11 ARG 10 1HH1 ARG 10 0.254 -6.121 3.138
85 HH12 ARG 10 2HH1 ARG 10 -1.076 -7.139 3.381
86 HH21 ARG 10 1HH2 ARG 10 -0.989 -6.998 6.924
87 HH22 ARG 10 2HH2 ARG 10 -1.830 -7.623 5.582
88 H CYS 11 H CYS 11 0.593 -3.256 2.264
89 HA CYS 11 HA CYS 11 -0.447 -0.680 3.132
90 HB2 CYS 11 2HB CYS 11 0.211 -0.476 0.782
91 HB3 CYS 11 1HB CYS 11 -0.811 -1.854 0.375
92 H VAL 12 H VAL 12 -2.484 -0.598 3.671
93 HA VAL 12 HA VAL 12 -4.174 -2.935 3.297
94 HB VAL 12 HB VAL 12 -3.606 -2.780 5.715
95 HG11 VAL 12 1HG1 VAL 12 -4.697 0.017 5.604
96 HG12 VAL 12 2HG1 VAL 12 -3.022 -0.451 5.893
97 HG13 VAL 12 3HG1 VAL 12 -4.265 -0.848 7.081
98 HG21 VAL 12 3HG2 VAL 12 -6.436 -1.902 5.153
99 HG22 VAL 12 1HG2 VAL 12 -5.871 -2.610 6.666
100 HG23 VAL 12 2HG2 VAL 12 -5.834 -3.560 5.180
101 H CYS 13 H CYS 13 -6.056 -2.419 2.271
102 HA CYS 13 HA CYS 13 -6.160 0.373 1.500
103 HB2 CYS 13 2HB CYS 13 -5.738 -1.148 -0.273
104 HB3 CYS 13 1HB CYS 13 -7.224 -2.061 0.031
105 H ARG 14 H ARG 14 -8.320 1.114 0.861
106 HA ARG 14 HA ARG 14 -10.342 0.188 2.757
107 HB2 ARG 14 2HB ARG 14 -9.129 2.175 3.664
108 HB3 ARG 14 1HB ARG 14 -9.620 3.081 2.246
109 HG2 ARG 14 2HG ARG 14 -10.979 3.590 4.231
110 HG3 ARG 14 1HG ARG 14 -11.947 2.922 2.914
111 HD2 ARG 14 2HD ARG 14 -12.488 1.975 5.163
112 HD3 ARG 14 1HD ARG 14 -12.013 0.779 3.962
113 HE ARG 14 HE ARG 14 -9.915 1.791 5.674
114 HH11 ARG 14 1HH1 ARG 14 -12.320 -0.753 5.174
115 HH12 ARG 14 2HH1 ARG 14 -11.467 -1.935 6.056
116 HH21 ARG 14 1HH2 ARG 14 -8.710 0.110 6.860
117 HH22 ARG 14 2HH2 ARG 14 -9.382 -1.457 6.984
118 H ARG 15 H ARG 15 -11.160 -0.864 0.949
119 HA ARG 15 HA ARG 15 -12.101 -1.217 -1.044
120 HB2 ARG 15 2HB ARG 15 -13.819 -0.894 0.588
121 HB3 ARG 15 1HB ARG 15 -13.790 0.829 0.306
122 HG2 ARG 15 2HG ARG 15 -15.757 -0.157 -0.774
123 HG3 ARG 15 1HG ARG 15 -14.624 0.343 -2.035
124 HD2 ARG 15 2HD ARG 15 -13.759 -1.983 -2.100
125 HD3 ARG 15 1HD ARG 15 -15.010 -2.437 -0.945
126 HE ARG 15 HE ARG 15 -15.686 -1.245 -3.520
127 HH11 ARG 15 1HH1 ARG 15 -16.009 -3.929 -1.231
128 HH12 ARG 15 2HH1 ARG 15 -17.105 -4.807 -2.188
129 HH21 ARG 15 1HH2 ARG 15 -17.130 -2.485 -4.887
130 HH22 ARG 15 2HH2 ARG 15 -17.742 -3.965 -4.326
131 H GLY 16 H GLY 16 -10.127 0.017 -2.010
132 HA2 GLY 16 2HA GLY 16 -9.955 0.936 -4.227
133 HA3 GLY 16 1HA GLY 16 -11.275 2.022 -3.820
134 H VAL 17 H VAL 17 -10.144 2.767 -1.201
135 HA VAL 17 HA VAL 17 -8.095 4.441 -2.348
136 HB VAL 17 HB VAL 17 -9.975 5.819 -1.578
137 HG11 VAL 17 1HG1 VAL 17 -9.548 4.746 1.179
138 HG12 VAL 17 2HG1 VAL 17 -10.890 4.344 0.112
139 HG13 VAL 17 3HG1 VAL 17 -10.695 5.998 0.696
140 HG21 VAL 17 3HG2 VAL 17 -7.802 6.826 -1.395
141 HG22 VAL 17 1HG2 VAL 17 -7.576 6.129 0.209
142 HG23 VAL 17 2HG2 VAL 17 -8.815 7.356 -0.051
143 H CYS 18 H CYS 18 -6.545 3.221 -2.194
144 HA CYS 18 HA CYS 18 -5.836 1.870 0.248
145 HB2 CYS 18 2HB CYS 18 -4.272 1.940 -2.336
146 HB3 CYS 18 1HB CYS 18 -4.199 0.733 -1.063
Start of MODEL 4
1 H1 ARG 1 1HT ARG 1 -3.655 4.107 3.492
2 H2 ARG 1 2HT ARG 1 -4.030 4.053 1.837
3 H3 ARG 1 3HT ARG 1 -4.203 5.511 2.695
4 HA ARG 1 HA ARG 1 -2.242 5.448 1.292
5 HB2 ARG 1 2HB ARG 1 -2.137 6.687 3.462
6 HB3 ARG 1 1HB ARG 1 -1.541 5.227 4.240
7 HG2 ARG 1 2HG ARG 1 0.394 5.290 2.624
8 HG3 ARG 1 1HG ARG 1 -0.176 6.888 2.155
9 HD2 ARG 1 2HD ARG 1 0.658 6.059 4.933
10 HD3 ARG 1 1HD ARG 1 1.617 7.011 3.804
11 HE ARG 1 HE ARG 1 -0.813 8.295 4.131
12 HH11 ARG 1 1HH1 ARG 1 2.058 7.562 6.049
13 HH12 ARG 1 2HH1 ARG 1 1.881 8.867 7.125
14 HH21 ARG 1 1HH2 ARG 1 -1.074 10.134 5.580
15 HH22 ARG 1 2HH2 ARG 1 0.063 10.370 6.826
16 H CYS 2 H CYS 2 -0.638 4.195 0.400
17 HA CYS 2 HA CYS 2 -0.237 1.490 1.299
18 HB2 CYS 2 2HB CYS 2 1.364 3.153 -0.663
19 HB3 CYS 2 1HB CYS 2 1.381 1.404 -0.538
20 H VAL 3 H VAL 3 1.760 0.784 2.465
21 HA VAL 3 HA VAL 3 3.040 3.122 3.634
22 HB VAL 3 HB VAL 3 1.549 2.109 5.281
23 HG11 VAL 3 1HG1 VAL 3 1.419 -0.167 4.480
24 HG12 VAL 3 2HG1 VAL 3 1.902 -0.148 6.177
25 HG13 VAL 3 3HG1 VAL 3 3.105 -0.443 4.923
26 HG21 VAL 3 3HG2 VAL 3 4.453 1.586 5.923
27 HG22 VAL 3 1HG2 VAL 3 3.155 1.718 7.111
28 HG23 VAL 3 2HG2 VAL 3 3.591 3.113 6.124
29 H CYS 4 H CYS 4 5.124 3.242 3.429
30 HA CYS 4 HA CYS 4 6.530 0.822 2.602
31 HB2 CYS 4 2HB CYS 4 7.417 3.674 2.279
32 HB3 CYS 4 1HB CYS 4 8.181 2.251 1.596
33 H ARG 5 H ARG 5 7.996 0.046 3.739
34 HA ARG 5 HA ARG 5 9.041 1.591 5.972
35 HB2 ARG 5 2HB ARG 5 9.034 -0.462 7.371
36 HB3 ARG 5 1HB ARG 5 7.425 0.071 6.934
37 HG2 ARG 5 2HG ARG 5 7.350 -1.686 5.198
38 HG3 ARG 5 1HG ARG 5 8.946 -2.229 5.717
39 HD2 ARG 5 2HD ARG 5 6.450 -2.158 7.407
40 HD3 ARG 5 1HD ARG 5 7.201 -3.601 6.718
41 HE ARG 5 HE ARG 5 9.137 -2.356 8.208
42 HH11 ARG 5 1HH1 ARG 5 5.973 -3.777 8.816
43 HH12 ARG 5 2HH1 ARG 5 6.311 -4.237 10.426
44 HH21 ARG 5 1HH2 ARG 5 9.628 -2.984 10.439
45 HH22 ARG 5 2HH2 ARG 5 8.462 -3.768 11.384
46 H ARG 6 H ARG 6 10.994 2.023 5.390
47 HA ARG 6 HA ARG 6 13.115 1.893 4.657
48 HB2 ARG 6 2HB ARG 6 13.214 0.418 6.680
49 HB3 ARG 6 1HB ARG 6 12.928 -0.965 5.648
50 HG2 ARG 6 2HG ARG 6 15.067 -0.683 4.575
51 HG3 ARG 6 1HG ARG 6 15.327 0.846 5.418
52 HD2 ARG 6 2HD ARG 6 15.040 -1.848 6.741
53 HD3 ARG 6 1HD ARG 6 16.560 -0.983 6.499
54 HE ARG 6 HE ARG 6 15.101 0.824 7.766
55 HH11 ARG 6 1HH1 ARG 6 15.754 -2.570 8.605
56 HH12 ARG 6 2HH1 ARG 6 15.572 -2.319 10.278
57 HH21 ARG 6 1HH2 ARG 6 14.844 1.138 10.071
58 HH22 ARG 6 2HH2 ARG 6 15.068 -0.180 11.125
59 H GLY 7 H GLY 7 11.387 1.771 2.685
60 HA2 GLY 7 2HA GLY 7 11.684 1.579 0.406
61 HA3 GLY 7 1HA GLY 7 12.855 0.308 0.716
62 H VAL 8 H VAL 8 10.650 -0.908 2.554
63 HA VAL 8 HA VAL 8 9.529 -2.520 0.422
64 HB VAL 8 HB VAL 8 9.163 -2.810 3.420
65 HG11 VAL 8 1HG1 VAL 8 8.495 -5.109 2.901
66 HG12 VAL 8 2HG1 VAL 8 8.664 -4.772 1.179
67 HG13 VAL 8 3HG1 VAL 8 7.427 -3.939 2.121
68 HG21 VAL 8 3HG2 VAL 8 11.123 -4.182 1.581
69 HG22 VAL 8 1HG2 VAL 8 10.861 -4.580 3.279
70 HG23 VAL 8 2HG2 VAL 8 11.509 -2.999 2.828
71 H CYS 9 H CYS 9 7.868 -1.604 -0.560
72 HA CYS 9 HA CYS 9 5.915 -0.119 0.995
73 HB2 CYS 9 2HB CYS 9 6.290 -0.405 -1.985
74 HB3 CYS 9 1HB CYS 9 5.005 0.531 -1.228
75 H ARG 10 H ARG 10 4.152 -0.941 1.707
76 HA ARG 10 HA ARG 10 3.141 -3.380 0.478
77 HB2 ARG 10 2HB ARG 10 4.189 -3.878 2.628
78 HB3 ARG 10 1HB ARG 10 3.316 -2.562 3.392
79 HG2 ARG 10 2HG ARG 10 2.377 -4.719 3.981
80 HG3 ARG 10 1HG ARG 10 1.215 -3.762 3.058
81 HD2 ARG 10 2HD ARG 10 1.179 -6.061 2.316
82 HD3 ARG 10 1HD ARG 10 1.833 -5.030 1.047
83 HE ARG 10 HE ARG 10 3.881 -6.146 2.682
84 HH11 ARG 10 1HH1 ARG 10 1.738 -6.853 -0.056
85 HH12 ARG 10 2HH1 ARG 10 2.733 -8.089 -0.675
86 HH21 ARG 10 1HH2 ARG 10 5.210 -7.845 1.830
87 HH22 ARG 10 2HH2 ARG 10 4.741 -8.671 0.408
88 H CYS 11 H CYS 11 1.169 -2.972 -0.336
89 HA CYS 11 HA CYS 11 -0.305 -0.791 0.915
90 HB2 CYS 11 2HB CYS 11 0.668 -0.306 -1.383
91 HB3 CYS 11 1HB CYS 11 -0.479 -1.513 -1.980
92 H VAL 12 H VAL 12 -2.289 -1.168 1.373
93 HA VAL 12 HA VAL 12 -3.689 -3.429 0.325
94 HB VAL 12 HB VAL 12 -2.619 -4.389 2.336
95 HG11 VAL 12 1HG1 VAL 12 -3.083 -3.560 4.598
96 HG12 VAL 12 2HG1 VAL 12 -3.910 -2.165 3.901
97 HG13 VAL 12 3HG1 VAL 12 -2.183 -2.398 3.625
98 HG21 VAL 12 3HG2 VAL 12 -5.563 -3.874 2.769
99 HG22 VAL 12 1HG2 VAL 12 -4.617 -5.136 3.561
100 HG23 VAL 12 2HG2 VAL 12 -4.845 -5.172 1.811
101 H CYS 13 H CYS 13 -5.668 -2.788 -0.159
102 HA CYS 13 HA CYS 13 -6.397 -0.129 0.565
103 HB2 CYS 13 2HB CYS 13 -7.885 -2.124 -1.076
104 HB3 CYS 13 1HB CYS 13 -8.193 -0.426 -0.922
105 H ARG 14 H ARG 14 -8.163 0.371 1.499
106 HA ARG 14 HA ARG 14 -9.800 -1.683 2.704
107 HB2 ARG 14 2HB ARG 14 -9.921 -0.407 4.853
108 HB3 ARG 14 1HB ARG 14 -8.320 -1.019 4.496
109 HG2 ARG 14 2HG ARG 14 -7.771 1.306 3.646
110 HG3 ARG 14 1HG ARG 14 -9.311 1.802 4.357
111 HD2 ARG 14 2HD ARG 14 -7.008 0.524 5.811
112 HD3 ARG 14 1HD ARG 14 -7.470 2.225 5.886
113 HE ARG 14 HE ARG 14 -9.701 1.084 6.721
114 HH11 ARG 14 1HH1 ARG 14 -6.363 0.318 7.623
115 HH12 ARG 14 2HH1 ARG 14 -6.777 -0.152 9.208
116 HH21 ARG 14 1HH2 ARG 14 -10.234 0.436 8.925
117 HH22 ARG 14 2HH2 ARG 14 -8.970 -0.060 9.949
118 H ARG 15 H ARG 15 -11.176 -1.413 1.115
119 HA ARG 15 HA ARG 15 -12.735 -0.602 -0.194
120 HB2 ARG 15 2HB ARG 15 -13.714 -1.497 1.779
121 HB3 ARG 15 1HB ARG 15 -13.611 0.068 2.537
122 HG2 ARG 15 2HG ARG 15 -15.339 0.933 1.097
123 HG3 ARG 15 1HG ARG 15 -15.241 -0.489 0.047
124 HD2 ARG 15 2HD ARG 15 -16.200 -0.407 2.900
125 HD3 ARG 15 1HD ARG 15 -17.179 -0.697 1.451
126 HE ARG 15 HE ARG 15 -15.167 -2.563 1.411
127 HH11 ARG 15 1HH1 ARG 15 -17.975 -1.879 3.451
128 HH12 ARG 15 2HH1 ARG 15 -18.042 -3.453 4.088
129 HH21 ARG 15 1HH2 ARG 15 -15.248 -4.691 2.296
130 HH22 ARG 15 2HH2 ARG 15 -16.456 -5.114 3.401
131 H GLY 16 H GLY 16 -11.379 1.006 -1.119
132 HA2 GLY 16 2HA GLY 16 -11.851 3.050 -2.274
133 HA3 GLY 16 1HA GLY 16 -12.650 3.639 -0.822
134 H VAL 17 H VAL 17 -10.325 2.465 0.755
135 HA VAL 17 HA VAL 17 -8.595 4.762 0.364
136 HB VAL 17 HB VAL 17 -8.931 2.981 2.784
137 HG11 VAL 17 1HG1 VAL 17 -7.369 5.537 2.431
138 HG12 VAL 17 2HG1 VAL 17 -6.695 3.925 2.681
139 HG13 VAL 17 3HG1 VAL 17 -7.619 4.705 3.967
140 HG21 VAL 17 3HG2 VAL 17 -9.897 5.802 2.342
141 HG22 VAL 17 1HG2 VAL 17 -10.082 4.852 3.814
142 HG23 VAL 17 2HG2 VAL 17 -10.911 4.361 2.333
143 H CYS 18 H CYS 18 -7.423 3.867 -1.239
144 HA CYS 18 HA CYS 18 -5.666 1.652 -0.501
145 HB2 CYS 18 2HB CYS 18 -5.994 3.092 -3.160
146 HB3 CYS 18 1HB CYS 18 -4.856 1.783 -2.872
Start of MODEL 5
1 H1 ARG 1 1HT ARG 1 -2.002 6.690 2.188
2 H2 ARG 1 2HT ARG 1 -0.753 6.999 3.250
3 H3 ARG 1 3HT ARG 1 -2.272 7.636 3.552
4 HA ARG 1 HA ARG 1 -1.819 5.764 4.980
5 HB2 ARG 1 2HB ARG 1 -3.812 4.374 4.411
6 HB3 ARG 1 1HB ARG 1 -4.148 6.097 4.426
7 HG2 ARG 1 2HG ARG 1 -4.057 6.133 1.970
8 HG3 ARG 1 1HG ARG 1 -3.708 4.408 1.961
9 HD2 ARG 1 2HD ARG 1 -6.068 4.858 1.495
10 HD3 ARG 1 1HD ARG 1 -5.860 3.943 2.988
11 HE ARG 1 HE ARG 1 -6.405 5.811 4.227
12 HH11 ARG 1 1HH1 ARG 1 -6.671 6.499 0.737
13 HH12 ARG 1 2HH1 ARG 1 -7.763 7.789 0.949
14 HH21 ARG 1 1HH2 ARG 1 -7.885 7.611 4.471
15 HH22 ARG 1 2HH2 ARG 1 -8.448 8.446 3.089
16 H CYS 2 H CYS 2 0.414 5.112 4.146
17 HA CYS 2 HA CYS 2 0.099 2.461 3.185
18 HB2 CYS 2 2HB CYS 2 0.342 3.920 1.148
19 HB3 CYS 2 1HB CYS 2 1.942 4.366 1.723
20 H VAL 3 H VAL 3 1.926 1.068 3.654
21 HA VAL 3 HA VAL 3 3.736 2.270 5.613
22 HB VAL 3 HB VAL 3 2.882 -0.631 5.355
23 HG11 VAL 3 1HG1 VAL 3 3.913 -0.905 7.563
24 HG12 VAL 3 2HG1 VAL 3 4.424 0.783 7.522
25 HG13 VAL 3 3HG1 VAL 3 5.071 -0.359 6.347
26 HG21 VAL 3 3HG2 VAL 3 1.934 1.439 7.344
27 HG22 VAL 3 1HG2 VAL 3 1.554 -0.283 7.403
28 HG23 VAL 3 2HG2 VAL 3 0.968 0.708 6.065
29 H CYS 4 H CYS 4 5.583 2.637 4.588
30 HA CYS 4 HA CYS 4 6.522 0.620 2.691
31 HB2 CYS 4 2HB CYS 4 7.403 3.461 2.936
32 HB3 CYS 4 1HB CYS 4 7.920 2.311 1.728
33 H ARG 5 H ARG 5 7.998 -0.501 3.296
34 HA ARG 5 HA ARG 5 9.886 0.407 5.355
35 HB2 ARG 5 2HB ARG 5 8.653 -2.355 5.212
36 HB3 ARG 5 1HB ARG 5 9.910 -1.857 6.331
37 HG2 ARG 5 2HG ARG 5 8.350 -0.228 7.320
38 HG3 ARG 5 1HG ARG 5 7.093 -0.797 6.222
39 HD2 ARG 5 2HD ARG 5 8.511 -2.420 8.334
40 HD3 ARG 5 1HD ARG 5 6.855 -1.827 8.408
41 HE ARG 5 HE ARG 5 6.671 -3.238 6.243
42 HH11 ARG 5 1HH1 ARG 5 8.427 -4.104 9.180
43 HH12 ARG 5 2HH1 ARG 5 8.212 -5.786 9.045
44 HH21 ARG 5 1HH2 ARG 5 6.428 -5.591 5.954
45 HH22 ARG 5 2HH2 ARG 5 7.059 -6.656 7.110
46 H ARG 6 H ARG 6 11.655 0.661 4.258
47 HA ARG 6 HA ARG 6 13.556 0.233 3.145
48 HB2 ARG 6 2HB ARG 6 13.561 -1.718 4.746
49 HB3 ARG 6 1HB ARG 6 12.822 -2.688 3.492
50 HG2 ARG 6 2HG ARG 6 14.806 -2.512 2.123
51 HG3 ARG 6 1HG ARG 6 15.535 -1.390 3.277
52 HD2 ARG 6 2HD ARG 6 14.771 -4.256 3.844
53 HD3 ARG 6 1HD ARG 6 16.407 -3.667 3.545
54 HE ARG 6 HE ARG 6 15.225 -2.223 5.661
55 HH11 ARG 6 1HH1 ARG 6 16.577 -5.454 5.040
56 HH12 ARG 6 2HH1 ARG 6 17.078 -5.674 6.660
57 HH21 ARG 6 1HH2 ARG 6 15.890 -2.546 7.825
58 HH22 ARG 6 2HH2 ARG 6 16.653 -3.981 8.305
59 H GLY 7 H GLY 7 11.197 0.688 1.723
60 HA2 GLY 7 2HA GLY 7 11.161 1.102 -0.605
61 HA3 GLY 7 1HA GLY 7 12.000 -0.434 -0.802
62 H VAL 8 H VAL 8 10.090 -1.639 1.210
63 HA VAL 8 HA VAL 8 8.197 -2.427 -0.825
64 HB VAL 8 HB VAL 8 8.515 -3.506 1.986
65 HG11 VAL 8 1HG1 VAL 8 7.103 -4.620 -0.433
66 HG12 VAL 8 2HG1 VAL 8 6.345 -4.000 1.029
67 HG13 VAL 8 3HG1 VAL 8 7.331 -5.466 1.098
68 HG21 VAL 8 3HG2 VAL 8 9.680 -4.533 -0.610
69 HG22 VAL 8 1HG2 VAL 8 9.757 -5.359 0.945
70 HG23 VAL 8 2HG2 VAL 8 10.581 -3.817 0.727
71 H CYS 9 H CYS 9 6.475 -1.201 -1.055
72 HA CYS 9 HA CYS 9 5.250 0.042 1.280
73 HB2 CYS 9 2HB CYS 9 4.872 0.533 -1.672
74 HB3 CYS 9 1HB CYS 9 3.953 1.334 -0.406
75 H ARG 10 H ARG 10 3.653 -0.929 2.220
76 HA ARG 10 HA ARG 10 1.810 -2.439 0.553
77 HB2 ARG 10 2HB ARG 10 2.994 -3.873 2.214
78 HB3 ARG 10 1HB ARG 10 2.391 -2.836 3.498
79 HG2 ARG 10 2HG ARG 10 0.118 -3.463 3.028
80 HG3 ARG 10 1HG ARG 10 0.631 -4.377 1.607
81 HD2 ARG 10 2HD ARG 10 0.198 -5.849 3.486
82 HD3 ARG 10 1HD ARG 10 1.897 -5.885 3.012
83 HE ARG 10 HE ARG 10 0.941 -4.265 5.255
84 HH11 ARG 10 1HH1 ARG 10 3.078 -6.773 3.968
85 HH12 ARG 10 2HH1 ARG 10 4.028 -6.916 5.362
86 HH21 ARG 10 1HH2 ARG 10 2.272 -4.457 7.238
87 HH22 ARG 10 2HH2 ARG 10 3.534 -5.604 7.253
88 H CYS 11 H CYS 11 0.155 -1.139 0.213
89 HA CYS 11 HA CYS 11 -0.133 0.955 2.065
90 HB2 CYS 11 2HB CYS 11 -1.496 0.566 -0.578
91 HB3 CYS 11 1HB CYS 11 -1.555 2.024 0.403
92 H VAL 12 H VAL 12 -1.737 1.220 3.484
93 HA VAL 12 HA VAL 12 -3.531 -0.998 3.714
94 HB VAL 12 HB VAL 12 -2.441 -0.349 5.782
95 HG11 VAL 12 1HG1 VAL 12 -2.772 1.808 6.884
96 HG12 VAL 12 2HG1 VAL 12 -3.651 2.384 5.471
97 HG13 VAL 12 3HG1 VAL 12 -1.944 1.972 5.336
98 HG21 VAL 12 3HG2 VAL 12 -4.373 0.007 7.271
99 HG22 VAL 12 1HG2 VAL 12 -4.699 -1.207 6.034
100 HG23 VAL 12 2HG2 VAL 12 -5.364 0.416 5.871
101 H CYS 13 H CYS 13 -4.894 -0.824 2.161
102 HA CYS 13 HA CYS 13 -6.520 1.569 1.891
103 HB2 CYS 13 2HB CYS 13 -6.258 -0.857 0.144
104 HB3 CYS 13 1HB CYS 13 -7.079 0.644 -0.230
105 H ARG 14 H ARG 14 -8.806 1.078 1.585
106 HA ARG 14 HA ARG 14 -9.549 -1.462 2.810
107 HB2 ARG 14 2HB ARG 14 -9.967 0.582 4.242
108 HB3 ARG 14 1HB ARG 14 -11.102 1.122 3.018
109 HG2 ARG 14 2HG ARG 14 -12.218 0.056 4.926
110 HG3 ARG 14 1HG ARG 14 -12.500 -0.800 3.405
111 HD2 ARG 14 2HD ARG 14 -12.005 -2.305 5.344
112 HD3 ARG 14 1HD ARG 14 -10.905 -2.508 3.990
113 HE ARG 14 HE ARG 14 -10.073 -0.702 6.116
114 HH11 ARG 14 1HH1 ARG 14 -9.873 -4.007 4.856
115 HH12 ARG 14 2HH1 ARG 14 -8.371 -4.341 5.571
116 HH21 ARG 14 1HH2 ARG 14 -8.034 -1.156 7.091
117 HH22 ARG 14 2HH2 ARG 14 -7.280 -2.687 6.873
118 H ARG 15 H ARG 15 -10.148 -2.665 1.195
119 HA ARG 15 HA ARG 15 -10.744 -3.326 -0.833
120 HB2 ARG 15 2HB ARG 15 -12.643 -3.692 0.511
121 HB3 ARG 15 1HB ARG 15 -13.149 -2.022 0.320
122 HG2 ARG 15 2HG ARG 15 -13.537 -2.516 -2.106
123 HG3 ARG 15 1HG ARG 15 -13.089 -4.193 -1.801
124 HD2 ARG 15 2HD ARG 15 -14.975 -4.466 -0.338
125 HD3 ARG 15 1HD ARG 15 -15.395 -2.758 -0.492
126 HE ARG 15 HE ARG 15 -15.294 -3.785 -3.035
127 HH11 ARG 15 1HH1 ARG 15 -17.229 -4.361 -0.127
128 HH12 ARG 15 2HH1 ARG 15 -18.641 -4.799 -0.959
129 HH21 ARG 15 1HH2 ARG 15 -17.258 -4.436 -4.204
130 HH22 ARG 15 2HH2 ARG 15 -18.651 -4.854 -3.340
131 H GLY 16 H GLY 16 -9.244 -1.722 -1.796
132 HA2 GLY 16 2HA GLY 16 -8.944 -0.694 -3.867
133 HA3 GLY 16 1HA GLY 16 -10.671 -0.417 -3.950
134 H VAL 17 H VAL 17 -10.415 0.833 -1.111
135 HA VAL 17 HA VAL 17 -9.991 3.471 -2.123
136 HB VAL 17 HB VAL 17 -10.767 2.562 0.677
137 HG11 VAL 17 1HG1 VAL 17 -9.709 4.774 0.730
138 HG12 VAL 17 2HG1 VAL 17 -11.437 4.892 1.062
139 HG13 VAL 17 3HG1 VAL 17 -10.816 5.338 -0.525
140 HG21 VAL 17 3HG2 VAL 17 -12.455 2.017 -1.008
141 HG22 VAL 17 1HG2 VAL 17 -12.444 3.690 -1.563
142 HG23 VAL 17 2HG2 VAL 17 -13.027 3.301 0.057
143 H CYS 18 H CYS 18 -7.942 3.295 -2.619
144 HA CYS 18 HA CYS 18 -5.937 3.353 -0.487
145 HB2 CYS 18 2HB CYS 18 -5.635 3.281 -3.498
146 HB3 CYS 18 1HB CYS 18 -4.284 3.388 -2.379
Start of MODEL 6
1 H1 ARG 1 1HT ARG 1 -3.673 2.215 1.469
2 H2 ARG 1 2HT ARG 1 -3.022 3.582 0.757
3 H3 ARG 1 3HT ARG 1 -4.422 3.729 1.669
4 HA ARG 1 HA ARG 1 -2.548 4.508 2.962
5 HB2 ARG 1 2HB ARG 1 -3.152 1.665 3.852
6 HB3 ARG 1 1HB ARG 1 -2.669 3.007 4.872
7 HG2 ARG 1 2HG ARG 1 -5.286 2.879 3.374
8 HG3 ARG 1 1HG ARG 1 -5.069 2.378 5.043
9 HD2 ARG 1 2HD ARG 1 -4.482 5.146 4.018
10 HD3 ARG 1 1HD ARG 1 -6.008 4.670 4.759
11 HE ARG 1 HE ARG 1 -3.731 4.065 6.384
12 HH11 ARG 1 1HH1 ARG 1 -6.014 6.621 5.523
13 HH12 ARG 1 2HH1 ARG 1 -5.851 7.457 6.988
14 HH21 ARG 1 1HH2 ARG 1 -3.518 5.198 8.395
15 HH22 ARG 1 2HH2 ARG 1 -4.393 6.641 8.662
16 H CYS 2 H CYS 2 -0.684 4.590 1.647
17 HA CYS 2 HA CYS 2 0.819 2.126 1.228
18 HB2 CYS 2 2HB CYS 2 1.349 4.908 0.185
19 HB3 CYS 2 1HB CYS 2 2.108 3.419 -0.354
20 H VAL 3 H VAL 3 2.576 1.568 2.426
21 HA VAL 3 HA VAL 3 3.905 3.708 3.907
22 HB VAL 3 HB VAL 3 3.256 0.945 5.009
23 HG11 VAL 3 1HG1 VAL 3 5.372 1.771 5.842
24 HG12 VAL 3 2HG1 VAL 3 4.167 1.805 7.133
25 HG13 VAL 3 3HG1 VAL 3 4.621 3.294 6.314
26 HG21 VAL 3 3HG2 VAL 3 1.239 2.316 4.991
27 HG22 VAL 3 1HG2 VAL 3 2.099 3.624 5.808
28 HG23 VAL 3 2HG2 VAL 3 1.817 2.099 6.644
29 H CYS 4 H CYS 4 6.068 3.632 3.598
30 HA CYS 4 HA CYS 4 7.189 1.122 2.608
31 HB2 CYS 4 2HB CYS 4 8.247 3.903 2.226
32 HB3 CYS 4 1HB CYS 4 8.990 2.440 1.630
33 H ARG 5 H ARG 5 8.594 0.235 3.749
34 HA ARG 5 HA ARG 5 9.955 1.677 5.895
35 HB2 ARG 5 2HB ARG 5 7.892 0.697 6.839
36 HB3 ARG 5 1HB ARG 5 8.419 -0.887 6.301
37 HG2 ARG 5 2HG ARG 5 10.291 -0.833 7.814
38 HG3 ARG 5 1HG ARG 5 9.905 0.821 8.284
39 HD2 ARG 5 2HD ARG 5 8.165 -1.600 8.711
40 HD3 ARG 5 1HD ARG 5 9.103 -0.764 9.948
41 HE ARG 5 HE ARG 5 7.426 1.081 8.689
42 HH11 ARG 5 1HH1 ARG 5 7.193 -1.675 10.910
43 HH12 ARG 5 2HH1 ARG 5 5.732 -1.177 11.606
44 HH21 ARG 5 1HH2 ARG 5 5.374 1.773 9.673
45 HH22 ARG 5 2HH2 ARG 5 4.697 0.818 10.907
46 H ARG 6 H ARG 6 11.974 1.374 5.505
47 HA ARG 6 HA ARG 6 13.962 0.563 4.940
48 HB2 ARG 6 2HB ARG 6 13.437 -0.689 7.072
49 HB3 ARG 6 1HB ARG 6 12.952 -2.049 6.079
50 HG2 ARG 6 2HG ARG 6 15.165 -2.415 5.314
51 HG3 ARG 6 1HG ARG 6 15.709 -0.852 5.924
52 HD2 ARG 6 2HD ARG 6 14.757 -3.162 7.622
53 HD3 ARG 6 1HD ARG 6 16.441 -2.687 7.376
54 HE ARG 6 HE ARG 6 15.402 -0.420 8.248
55 HH11 ARG 6 1HH1 ARG 6 15.212 -3.701 9.596
56 HH12 ARG 6 2HH1 ARG 6 14.884 -3.192 11.181
57 HH21 ARG 6 1HH2 ARG 6 14.954 0.291 10.456
58 HH22 ARG 6 2HH2 ARG 6 14.718 -0.875 11.677
59 H GLY 7 H GLY 7 12.385 0.702 2.802
60 HA2 GLY 7 2HA GLY 7 12.983 0.153 0.603
61 HA3 GLY 7 1HA GLY 7 13.559 -1.384 1.223
62 H VAL 8 H VAL 8 10.902 -1.598 2.761
63 HA VAL 8 HA VAL 8 9.541 -2.934 0.554
64 HB VAL 8 HB VAL 8 9.059 -3.098 3.546
65 HG11 VAL 8 1HG1 VAL 8 7.871 -4.751 1.310
66 HG12 VAL 8 2HG1 VAL 8 7.010 -3.564 2.290
67 HG13 VAL 8 3HG1 VAL 8 7.640 -5.032 3.037
68 HG21 VAL 8 3HG2 VAL 8 10.040 -5.354 3.328
69 HG22 VAL 8 1HG2 VAL 8 11.185 -4.071 2.923
70 HG23 VAL 8 2HG2 VAL 8 10.409 -5.002 1.642
71 H CYS 9 H CYS 9 7.950 -1.919 -0.435
72 HA CYS 9 HA CYS 9 6.406 0.067 1.053
73 HB2 CYS 9 2HB CYS 9 6.842 -0.255 -1.915
74 HB3 CYS 9 1HB CYS 9 5.690 0.875 -1.206
75 H ARG 10 H ARG 10 4.548 -0.591 1.747
76 HA ARG 10 HA ARG 10 3.078 -2.525 0.140
77 HB2 ARG 10 2HB ARG 10 3.927 -3.737 2.036
78 HB3 ARG 10 1HB ARG 10 3.486 -2.429 3.114
79 HG2 ARG 10 2HG ARG 10 1.227 -2.965 3.068
80 HG3 ARG 10 1HG ARG 10 1.386 -3.916 1.594
81 HD2 ARG 10 2HD ARG 10 1.084 -5.245 3.716
82 HD3 ARG 10 1HD ARG 10 2.480 -5.680 2.736
83 HE ARG 10 HE ARG 10 3.216 -3.790 4.693
84 HH11 ARG 10 1HH1 ARG 10 2.186 -7.168 4.500
85 HH12 ARG 10 2HH1 ARG 10 3.242 -7.708 5.717
86 HH21 ARG 10 1HH2 ARG 10 4.648 -4.525 6.386
87 HH22 ARG 10 2HH2 ARG 10 4.698 -6.177 6.796
88 H CYS 11 H CYS 11 1.180 -1.803 -0.456
89 HA CYS 11 HA CYS 11 0.084 0.336 1.170
90 HB2 CYS 11 2HB CYS 11 0.983 1.084 -1.014
91 HB3 CYS 11 1HB CYS 11 -0.243 0.050 -1.784
92 H VAL 12 H VAL 12 -1.485 -0.113 2.062
93 HA VAL 12 HA VAL 12 -3.121 -2.420 1.300
94 HB VAL 12 HB VAL 12 -3.149 -0.864 3.911
95 HG11 VAL 12 1HG1 VAL 12 -4.417 -2.772 4.802
96 HG12 VAL 12 2HG1 VAL 12 -4.423 -3.511 3.202
97 HG13 VAL 12 3HG1 VAL 12 -5.268 -1.987 3.469
98 HG21 VAL 12 3HG2 VAL 12 -1.013 -2.001 3.603
99 HG22 VAL 12 1HG2 VAL 12 -1.849 -3.518 3.279
100 HG23 VAL 12 2HG2 VAL 12 -1.948 -2.781 4.879
101 H CYS 13 H CYS 13 -5.017 -2.071 0.339
102 HA CYS 13 HA CYS 13 -6.304 0.473 0.794
103 HB2 CYS 13 2HB CYS 13 -6.388 -1.406 -1.548
104 HB3 CYS 13 1HB CYS 13 -7.467 -0.060 -1.330
105 H ARG 14 H ARG 14 -8.573 0.287 0.675
106 HA ARG 14 HA ARG 14 -9.769 -2.257 1.562
107 HB2 ARG 14 2HB ARG 14 -10.480 0.524 2.587
108 HB3 ARG 14 1HB ARG 14 -11.152 -0.996 3.138
109 HG2 ARG 14 2HG ARG 14 -8.294 -0.126 3.548
110 HG3 ARG 14 1HG ARG 14 -9.574 0.012 4.747
111 HD2 ARG 14 2HD ARG 14 -9.820 -2.412 4.787
112 HD3 ARG 14 1HD ARG 14 -8.602 -2.575 3.523
113 HE ARG 14 HE ARG 14 -7.336 -1.172 5.451
114 HH11 ARG 14 1HH1 ARG 14 -9.012 -4.282 5.491
115 HH12 ARG 14 2HH1 ARG 14 -8.062 -4.931 6.746
116 HH21 ARG 14 1HH2 ARG 14 -6.048 -2.061 7.179
117 HH22 ARG 14 2HH2 ARG 14 -6.366 -3.631 7.747
118 H ARG 15 H ARG 15 -12.146 -2.157 0.934
119 HA ARG 15 HA ARG 15 -12.342 -0.893 -1.619
120 HB2 ARG 15 2HB ARG 15 -13.141 -3.245 -1.226
121 HB3 ARG 15 1HB ARG 15 -14.438 -2.582 -0.237
122 HG2 ARG 15 2HG ARG 15 -15.263 -1.324 -2.161
123 HG3 ARG 15 1HG ARG 15 -13.963 -1.996 -3.144
124 HD2 ARG 15 2HD ARG 15 -14.843 -4.237 -2.750
125 HD3 ARG 15 1HD ARG 15 -16.150 -3.545 -1.789
126 HE ARG 15 HE ARG 15 -16.110 -2.302 -4.273
127 HH11 ARG 15 1HH1 ARG 15 -16.826 -5.464 -2.892
128 HH12 ARG 15 2HH1 ARG 15 -17.991 -5.894 -4.042
129 HH21 ARG 15 1HH2 ARG 15 -17.711 -2.892 -5.913
130 HH22 ARG 15 2HH2 ARG 15 -18.487 -4.398 -5.821
131 H GLY 16 H GLY 16 -12.124 0.959 -0.495
132 HA2 GLY 16 2HA GLY 16 -14.203 2.773 -0.665
133 HA3 GLY 16 1HA GLY 16 -14.234 2.229 1.006
134 H VAL 17 H VAL 17 -11.145 1.833 0.666
135 HA VAL 17 HA VAL 17 -10.317 4.619 0.927
136 HB VAL 17 HB VAL 17 -9.554 2.401 2.868
137 HG11 VAL 17 1HG1 VAL 17 -8.848 5.318 2.868
138 HG12 VAL 17 2HG1 VAL 17 -7.756 3.971 2.544
139 HG13 VAL 17 3HG1 VAL 17 -8.454 4.176 4.151
140 HG21 VAL 17 3HG2 VAL 17 -11.845 3.130 3.273
141 HG22 VAL 17 1HG2 VAL 17 -11.303 4.804 3.358
142 HG23 VAL 17 2HG2 VAL 17 -10.779 3.643 4.583
143 H CYS 18 H CYS 18 -9.166 4.485 -1.025
144 HA CYS 18 HA CYS 18 -6.716 2.976 -0.814
145 HB2 CYS 18 2HB CYS 18 -8.360 1.540 -2.127
146 HB3 CYS 18 1HB CYS 18 -8.414 2.821 -3.322
Start of MODEL 7
1 H1 ARG 1 1HT ARG 1 -3.725 5.948 2.408
2 H2 ARG 1 2HT ARG 1 -3.745 4.272 2.145
3 H3 ARG 1 3HT ARG 1 -2.583 5.231 1.401
4 HA ARG 1 HA ARG 1 -1.543 5.722 3.405
5 HB2 ARG 1 2HB ARG 1 -3.681 3.975 4.659
6 HB3 ARG 1 1HB ARG 1 -2.260 4.584 5.499
7 HG2 ARG 1 2HG ARG 1 -3.005 6.882 5.048
8 HG3 ARG 1 1HG ARG 1 -4.465 6.230 4.307
9 HD2 ARG 1 2HD ARG 1 -5.077 5.191 6.427
10 HD3 ARG 1 1HD ARG 1 -3.606 5.826 7.167
11 HE ARG 1 HE ARG 1 -5.407 7.716 5.916
12 HH11 ARG 1 1HH1 ARG 1 -4.158 6.385 8.942
13 HH12 ARG 1 2HH1 ARG 1 -4.738 7.660 9.908
14 HH21 ARG 1 1HH2 ARG 1 -6.166 9.455 7.196
15 HH22 ARG 1 2HH2 ARG 1 -5.946 9.459 8.883
16 H CYS 2 H CYS 2 0.268 4.523 3.774
17 HA CYS 2 HA CYS 2 0.212 1.727 3.108
18 HB2 CYS 2 2HB CYS 2 0.376 2.879 0.928
19 HB3 CYS 2 1HB CYS 2 1.799 3.737 1.491
20 H VAL 3 H VAL 3 2.099 0.628 3.818
21 HA VAL 3 HA VAL 3 3.718 2.170 5.709
22 HB VAL 3 HB VAL 3 3.319 -0.832 5.490
23 HG11 VAL 3 1HG1 VAL 3 4.572 0.805 7.686
24 HG12 VAL 3 2HG1 VAL 3 5.432 -0.197 6.523
25 HG13 VAL 3 3HG1 VAL 3 4.344 -0.944 7.696
26 HG21 VAL 3 3HG2 VAL 3 1.230 0.248 6.122
27 HG22 VAL 3 1HG2 VAL 3 2.060 1.109 7.417
28 HG23 VAL 3 2HG2 VAL 3 1.908 -0.646 7.487
29 H CYS 4 H CYS 4 5.688 2.663 4.864
30 HA CYS 4 HA CYS 4 6.872 0.624 3.127
31 HB2 CYS 4 2HB CYS 4 7.298 3.593 2.882
32 HB3 CYS 4 1HB CYS 4 8.071 2.353 1.927
33 H ARG 5 H ARG 5 8.719 -0.056 3.572
34 HA ARG 5 HA ARG 5 10.411 1.311 5.528
35 HB2 ARG 5 2HB ARG 5 9.165 -0.485 6.691
36 HB3 ARG 5 1HB ARG 5 9.783 -1.657 5.538
37 HG2 ARG 5 2HG ARG 5 12.042 -1.293 6.330
38 HG3 ARG 5 1HG ARG 5 11.478 -0.036 7.427
39 HD2 ARG 5 2HD ARG 5 11.813 -2.110 8.647
40 HD3 ARG 5 1HD ARG 5 10.106 -1.697 8.604
41 HE ARG 5 HE ARG 5 10.782 -3.398 6.468
42 HH11 ARG 5 1HH1 ARG 5 10.263 -3.485 9.994
43 HH12 ARG 5 2HH1 ARG 5 9.784 -5.118 10.011
44 HH21 ARG 5 1HH2 ARG 5 10.085 -5.679 6.539
45 HH22 ARG 5 2HH2 ARG 5 9.681 -6.368 8.038
46 H ARG 6 H ARG 6 11.843 1.954 4.135
47 HA ARG 6 HA ARG 6 13.444 2.061 2.624
48 HB2 ARG 6 2HB ARG 6 14.595 0.910 4.507
49 HB3 ARG 6 1HB ARG 6 14.240 -0.632 3.744
50 HG2 ARG 6 2HG ARG 6 16.550 0.102 3.343
51 HG3 ARG 6 1HG ARG 6 15.630 -0.051 1.842
52 HD2 ARG 6 2HD ARG 6 15.235 2.359 1.840
53 HD3 ARG 6 1HD ARG 6 16.166 2.524 3.326
54 HE ARG 6 HE ARG 6 17.730 1.257 1.424
55 HH11 ARG 6 1HH1 ARG 6 16.207 4.433 1.929
56 HH12 ARG 6 2HH1 ARG 6 17.361 5.283 1.025
57 HH21 ARG 6 1HH2 ARG 6 19.335 2.481 0.174
58 HH22 ARG 6 2HH2 ARG 6 19.162 4.170 0.010
59 H GLY 7 H GLY 7 11.447 1.637 1.181
60 HA2 GLY 7 2HA GLY 7 11.230 1.182 -1.075
61 HA3 GLY 7 1HA GLY 7 12.455 -0.064 -0.882
62 H VAL 8 H VAL 8 10.897 -1.048 1.542
63 HA VAL 8 HA VAL 8 9.222 -2.845 0.019
64 HB VAL 8 HB VAL 8 9.762 -2.760 2.996
65 HG11 VAL 8 1HG1 VAL 8 8.682 -4.932 1.237
66 HG12 VAL 8 2HG1 VAL 8 7.784 -4.005 2.442
67 HG13 VAL 8 3HG1 VAL 8 9.071 -5.107 2.945
68 HG21 VAL 8 3HG2 VAL 8 11.390 -4.539 2.606
69 HG22 VAL 8 1HG2 VAL 8 11.844 -3.040 1.795
70 HG23 VAL 8 2HG2 VAL 8 11.149 -4.371 0.867
71 H CYS 9 H CYS 9 7.280 -1.948 -0.486
72 HA CYS 9 HA CYS 9 5.927 -0.497 1.647
73 HB2 CYS 9 2HB CYS 9 5.515 -0.350 -1.339
74 HB3 CYS 9 1HB CYS 9 4.452 0.404 -0.162
75 H ARG 10 H ARG 10 4.059 -1.069 2.380
76 HA ARG 10 HA ARG 10 2.566 -3.181 1.066
77 HB2 ARG 10 2HB ARG 10 3.727 -4.239 2.901
78 HB3 ARG 10 1HB ARG 10 3.259 -2.949 3.992
79 HG2 ARG 10 2HG ARG 10 1.025 -3.665 4.065
80 HG3 ARG 10 1HG ARG 10 1.231 -4.721 2.669
81 HD2 ARG 10 2HD ARG 10 1.170 -5.862 4.933
82 HD3 ARG 10 1HD ARG 10 2.541 -6.254 3.901
83 HE ARG 10 HE ARG 10 3.483 -4.221 5.369
84 HH11 ARG 10 1HH1 ARG 10 1.815 -7.169 6.370
85 HH12 ARG 10 2HH1 ARG 10 2.748 -7.358 7.777
86 HH21 ARG 10 1HH2 ARG 10 4.729 -4.501 7.258
87 HH22 ARG 10 2HH2 ARG 10 4.429 -5.827 8.308
88 H CYS 11 H CYS 11 1.089 -1.931 0.281
89 HA CYS 11 HA CYS 11 0.070 0.243 1.837
90 HB2 CYS 11 2HB CYS 11 -0.528 -0.562 -1.017
91 HB3 CYS 11 1HB CYS 11 -0.963 0.954 -0.233
92 H VAL 12 H VAL 12 -1.994 0.370 2.660
93 HA VAL 12 HA VAL 12 -3.524 -2.107 2.515
94 HB VAL 12 HB VAL 12 -4.511 -1.474 4.655
95 HG11 VAL 12 1HG1 VAL 12 -2.538 -1.690 6.101
96 HG12 VAL 12 2HG1 VAL 12 -1.506 -1.291 4.730
97 HG13 VAL 12 3HG1 VAL 12 -2.457 -2.772 4.711
98 HG21 VAL 12 3HG2 VAL 12 -2.717 0.963 4.583
99 HG22 VAL 12 1HG2 VAL 12 -3.713 0.463 5.949
100 HG23 VAL 12 2HG2 VAL 12 -4.477 0.967 4.442
101 H CYS 13 H CYS 13 -5.764 -1.971 2.119
102 HA CYS 13 HA CYS 13 -6.598 0.648 1.101
103 HB2 CYS 13 2HB CYS 13 -6.206 -0.808 -0.759
104 HB3 CYS 13 1HB CYS 13 -7.249 -2.070 -0.053
105 H ARG 14 H ARG 14 -8.808 0.925 1.015
106 HA ARG 14 HA ARG 14 -10.357 -0.481 3.087
107 HB2 ARG 14 2HB ARG 14 -9.419 1.670 4.012
108 HB3 ARG 14 1HB ARG 14 -10.286 2.537 2.755
109 HG2 ARG 14 2HG ARG 14 -12.417 1.655 3.691
110 HG3 ARG 14 1HG ARG 14 -11.490 0.933 5.009
111 HD2 ARG 14 2HD ARG 14 -12.361 3.028 5.782
112 HD3 ARG 14 1HD ARG 14 -10.627 3.211 5.545
113 HE ARG 14 HE ARG 14 -12.292 3.967 3.315
114 HH11 ARG 14 1HH1 ARG 14 -10.672 5.122 6.245
115 HH12 ARG 14 2HH1 ARG 14 -10.576 6.741 5.744
116 HH21 ARG 14 1HH2 ARG 14 -12.227 6.280 2.649
117 HH22 ARG 14 2HH2 ARG 14 -11.481 7.401 3.672
118 H ARG 15 H ARG 15 -11.183 -1.521 1.214
119 HA ARG 15 HA ARG 15 -12.312 -1.813 -0.656
120 HB2 ARG 15 2HB ARG 15 -13.835 -2.383 1.002
121 HB3 ARG 15 1HB ARG 15 -14.203 -0.703 1.345
122 HG2 ARG 15 2HG ARG 15 -15.559 -0.543 -0.635
123 HG3 ARG 15 1HG ARG 15 -14.915 -2.061 -1.262
124 HD2 ARG 15 2HD ARG 15 -16.485 -1.908 1.286
125 HD3 ARG 15 1HD ARG 15 -17.257 -2.127 -0.284
126 HE ARG 15 HE ARG 15 -15.651 -4.088 -0.466
127 HH11 ARG 15 1HH1 ARG 15 -16.987 -3.070 2.637
128 HH12 ARG 15 2HH1 ARG 15 -17.115 -4.642 3.269
129 HH21 ARG 15 1HH2 ARG 15 -15.858 -6.265 0.374
130 HH22 ARG 15 2HH2 ARG 15 -16.502 -6.506 1.932
131 H GLY 16 H GLY 16 -11.085 -0.350 -1.873
132 HA2 GLY 16 2HA GLY 16 -11.568 0.830 -3.931
133 HA3 GLY 16 1HA GLY 16 -12.820 1.703 -3.062
134 H VAL 17 H VAL 17 -11.167 2.152 -0.712
135 HA VAL 17 HA VAL 17 -9.679 4.416 -1.774
136 HB VAL 17 HB VAL 17 -10.292 3.710 1.115
137 HG11 VAL 17 1HG1 VAL 17 -8.396 5.215 0.897
138 HG12 VAL 17 2HG1 VAL 17 -9.777 6.074 1.579
139 HG13 VAL 17 3HG1 VAL 17 -9.346 6.301 -0.114
140 HG21 VAL 17 3HG2 VAL 17 -12.367 4.052 -0.082
141 HG22 VAL 17 1HG2 VAL 17 -11.774 5.584 -0.726
142 HG23 VAL 17 2HG2 VAL 17 -12.064 5.406 1.005
143 H CYS 18 H CYS 18 -8.101 3.127 -2.616
144 HA CYS 18 HA CYS 18 -6.426 1.647 -0.752
145 HB2 CYS 18 2HB CYS 18 -6.271 1.719 -3.770
146 HB3 CYS 18 1HB CYS 18 -5.445 0.600 -2.695
Start of MODEL 8
1 H1 ARG 1 1HT ARG 1 -3.855 4.758 4.698
2 H2 ARG 1 2HT ARG 1 -2.993 3.313 4.906
3 H3 ARG 1 3HT ARG 1 -3.608 3.718 3.392
4 HA ARG 1 HA ARG 1 -2.144 5.625 3.250
5 HB2 ARG 1 2HB ARG 1 -0.869 4.426 5.722
6 HB3 ARG 1 1HB ARG 1 -0.307 5.813 4.828
7 HG2 ARG 1 2HG ARG 1 -2.224 7.103 5.554
8 HG3 ARG 1 1HG ARG 1 -2.884 5.690 6.387
9 HD2 ARG 1 2HD ARG 1 -0.267 7.066 7.005
10 HD3 ARG 1 1HD ARG 1 -1.740 7.143 7.978
11 HE ARG 1 HE ARG 1 -1.327 4.522 7.925
12 HH11 ARG 1 1HH1 ARG 1 1.023 7.104 8.585
13 HH12 ARG 1 2HH1 ARG 1 2.013 6.117 9.549
14 HH21 ARG 1 1HH2 ARG 1 0.009 3.211 9.197
15 HH22 ARG 1 2HH2 ARG 1 1.438 3.827 9.916
16 H CYS 2 H CYS 2 -0.127 5.292 2.192
17 HA CYS 2 HA CYS 2 0.629 2.495 1.814
18 HB2 CYS 2 2HB CYS 2 1.318 4.932 0.148
19 HB3 CYS 2 1HB CYS 2 1.679 3.259 -0.247
20 H VAL 3 H VAL 3 2.573 1.849 2.761
21 HA VAL 3 HA VAL 3 4.288 4.040 3.660
22 HB VAL 3 HB VAL 3 3.490 1.599 5.292
23 HG11 VAL 3 1HG1 VAL 3 5.338 3.867 6.033
24 HG12 VAL 3 2HG1 VAL 3 5.808 2.195 5.715
25 HG13 VAL 3 3HG1 VAL 3 4.802 2.580 7.112
26 HG21 VAL 3 3HG2 VAL 3 1.718 3.273 5.249
27 HG22 VAL 3 1HG2 VAL 3 2.865 4.525 5.728
28 HG23 VAL 3 2HG2 VAL 3 2.470 3.221 6.844
29 H CYS 4 H CYS 4 6.406 3.713 3.334
30 HA CYS 4 HA CYS 4 7.244 1.046 2.437
31 HB2 CYS 4 2HB CYS 4 8.555 3.693 1.870
32 HB3 CYS 4 1HB CYS 4 9.055 2.135 1.249
33 H ARG 5 H ARG 5 8.812 0.090 3.446
34 HA ARG 5 HA ARG 5 10.351 1.541 5.458
35 HB2 ARG 5 2HB ARG 5 8.274 0.540 6.536
36 HB3 ARG 5 1HB ARG 5 8.918 -1.040 6.114
37 HG2 ARG 5 2HG ARG 5 10.939 -0.525 7.441
38 HG3 ARG 5 1HG ARG 5 10.186 0.987 7.937
39 HD2 ARG 5 2HD ARG 5 9.833 -0.593 9.678
40 HD3 ARG 5 1HD ARG 5 8.291 -0.363 8.858
41 HE ARG 5 HE ARG 5 8.865 -2.471 7.627
42 HH11 ARG 5 1HH1 ARG 5 10.023 -1.873 10.914
43 HH12 ARG 5 2HH1 ARG 5 10.226 -3.520 11.295
44 HH21 ARG 5 1HH2 ARG 5 9.171 -4.748 8.155
45 HH22 ARG 5 2HH2 ARG 5 9.746 -5.186 9.676
46 H ARG 6 H ARG 6 12.372 1.042 5.042
47 HA ARG 6 HA ARG 6 14.243 0.058 4.284
48 HB2 ARG 6 2HB ARG 6 13.886 -1.052 6.473
49 HB3 ARG 6 1HB ARG 6 13.034 -2.352 5.665
50 HG2 ARG 6 2HG ARG 6 15.268 -3.077 6.199
51 HG3 ARG 6 1HG ARG 6 15.114 -2.916 4.451
52 HD2 ARG 6 2HD ARG 6 16.218 -0.729 4.578
53 HD3 ARG 6 1HD ARG 6 16.412 -0.942 6.321
54 HE ARG 6 HE ARG 6 17.529 -2.879 4.437
55 HH11 ARG 6 1HH1 ARG 6 18.071 -0.485 7.009
56 HH12 ARG 6 2HH1 ARG 6 19.713 -0.860 7.208
57 HH21 ARG 6 1HH2 ARG 6 19.831 -3.348 4.693
58 HH22 ARG 6 2HH2 ARG 6 20.742 -2.513 5.848
59 H GLY 7 H GLY 7 12.551 0.241 2.199
60 HA2 GLY 7 2HA GLY 7 12.825 -0.398 0.033
61 HA3 GLY 7 1HA GLY 7 13.653 -1.839 0.603
62 H VAL 8 H VAL 8 10.672 -1.615 2.183
63 HA VAL 8 HA VAL 8 9.344 -2.874 -0.097
64 HB VAL 8 HB VAL 8 9.902 -4.633 1.578
65 HG11 VAL 8 1HG1 VAL 8 9.837 -3.363 3.621
66 HG12 VAL 8 2HG1 VAL 8 8.759 -4.750 3.727
67 HG13 VAL 8 3HG1 VAL 8 8.097 -3.136 3.457
68 HG21 VAL 8 3HG2 VAL 8 7.969 -4.977 0.159
69 HG22 VAL 8 1HG2 VAL 8 6.945 -4.104 1.302
70 HG23 VAL 8 2HG2 VAL 8 7.670 -5.651 1.756
71 H CYS 9 H CYS 9 7.363 -2.143 -0.615
72 HA CYS 9 HA CYS 9 6.271 -0.067 1.134
73 HB2 CYS 9 2HB CYS 9 6.104 -0.348 -1.873
74 HB3 CYS 9 1HB CYS 9 5.259 0.876 -0.930
75 H ARG 10 H ARG 10 4.372 -0.469 2.036
76 HA ARG 10 HA ARG 10 2.693 -2.390 0.671
77 HB2 ARG 10 2HB ARG 10 3.867 -3.502 2.592
78 HB3 ARG 10 1HB ARG 10 3.121 -2.337 3.671
79 HG2 ARG 10 2HG ARG 10 1.925 -4.468 3.697
80 HG3 ARG 10 1HG ARG 10 0.902 -3.175 3.074
81 HD2 ARG 10 2HD ARG 10 0.652 -5.211 1.743
82 HD3 ARG 10 1HD ARG 10 1.353 -3.926 0.772
83 HE ARG 10 HE ARG 10 2.960 -6.040 2.025
84 HH11 ARG 10 1HH1 ARG 10 2.103 -4.154 -0.892
85 HH12 ARG 10 2HH1 ARG 10 3.274 -4.854 -1.875
86 HH21 ARG 10 1HH2 ARG 10 4.561 -7.077 0.606
87 HH22 ARG 10 2HH2 ARG 10 4.696 -6.585 -1.014
88 H CYS 11 H CYS 11 0.759 -1.600 0.374
89 HA CYS 11 HA CYS 11 0.006 0.681 1.997
90 HB2 CYS 11 2HB CYS 11 0.536 1.227 -0.378
91 HB3 CYS 11 1HB CYS 11 -0.778 0.144 -0.854
92 H VAL 12 H VAL 12 -1.825 0.675 2.905
93 HA VAL 12 HA VAL 12 -3.385 -1.745 2.590
94 HB VAL 12 HB VAL 12 -4.197 -1.323 4.946
95 HG11 VAL 12 1HG1 VAL 12 -1.243 -1.797 4.559
96 HG12 VAL 12 2HG1 VAL 12 -2.514 -3.014 4.449
97 HG13 VAL 12 3HG1 VAL 12 -2.168 -2.238 5.993
98 HG21 VAL 12 3HG2 VAL 12 -1.865 0.591 5.007
99 HG22 VAL 12 1HG2 VAL 12 -2.821 0.083 6.402
100 HG23 VAL 12 2HG2 VAL 12 -3.568 1.034 5.112
101 H CYS 13 H CYS 13 -4.915 -1.302 1.211
102 HA CYS 13 HA CYS 13 -6.606 0.995 1.716
103 HB2 CYS 13 2HB CYS 13 -5.865 -0.419 -0.820
104 HB3 CYS 13 1HB CYS 13 -7.076 0.832 -0.692
105 H ARG 14 H ARG 14 -8.778 0.568 0.918
106 HA ARG 14 HA ARG 14 -9.626 -2.223 1.276
107 HB2 ARG 14 2HB ARG 14 -11.143 0.341 1.853
108 HB3 ARG 14 1HB ARG 14 -11.742 -1.287 2.105
109 HG2 ARG 14 2HG ARG 14 -9.465 0.012 3.593
110 HG3 ARG 14 1HG ARG 14 -11.099 -0.253 4.206
111 HD2 ARG 14 2HD ARG 14 -10.794 -2.664 3.971
112 HD3 ARG 14 1HD ARG 14 -9.170 -2.388 3.342
113 HE ARG 14 HE ARG 14 -9.352 -1.137 5.804
114 HH11 ARG 14 1HH1 ARG 14 -9.351 -4.407 4.447
115 HH12 ARG 14 2HH1 ARG 14 -8.713 -5.148 5.834
116 HH21 ARG 14 1HH2 ARG 14 -8.480 -2.169 7.743
117 HH22 ARG 14 2HH2 ARG 14 -8.222 -3.847 7.763
118 H ARG 15 H ARG 15 -11.461 -2.702 -0.091
119 HA ARG 15 HA ARG 15 -11.123 -1.614 -2.712
120 HB2 ARG 15 2HB ARG 15 -11.367 -4.067 -2.254
121 HB3 ARG 15 1HB ARG 15 -13.018 -3.766 -1.735
122 HG2 ARG 15 2HG ARG 15 -13.583 -2.976 -3.978
123 HG3 ARG 15 1HG ARG 15 -11.927 -3.293 -4.504
124 HD2 ARG 15 2HD ARG 15 -13.381 -5.116 -5.149
125 HD3 ARG 15 1HD ARG 15 -12.221 -5.659 -3.932
126 HE ARG 15 HE ARG 15 -14.776 -4.785 -2.916
127 HH11 ARG 15 1HH1 ARG 15 -12.841 -7.566 -3.951
128 HH12 ARG 15 2HH1 ARG 15 -13.866 -8.710 -3.214
129 HH21 ARG 15 1HH2 ARG 15 -16.173 -6.367 -1.934
130 HH22 ARG 15 2HH2 ARG 15 -15.776 -8.010 -2.045
131 H GLY 16 H GLY 16 -11.800 0.293 -1.698
132 HA2 GLY 16 2HA GLY 16 -14.139 1.382 -2.672
133 HA3 GLY 16 1HA GLY 16 -14.532 0.884 -1.030
134 H VAL 17 H VAL 17 -11.517 1.460 -0.386
135 HA VAL 17 HA VAL 17 -11.353 4.254 -0.608
136 HB VAL 17 HB VAL 17 -12.925 4.163 1.251
137 HG11 VAL 17 1HG1 VAL 17 -10.954 2.429 2.710
138 HG12 VAL 17 2HG1 VAL 17 -12.551 1.963 2.128
139 HG13 VAL 17 3HG1 VAL 17 -12.395 3.152 3.424
140 HG21 VAL 17 3HG2 VAL 17 -11.657 5.394 2.981
141 HG22 VAL 17 1HG2 VAL 17 -11.308 5.951 1.343
142 HG23 VAL 17 2HG2 VAL 17 -10.159 4.912 2.188
143 H CYS 18 H CYS 18 -9.398 4.466 -1.115
144 HA CYS 18 HA CYS 18 -7.340 2.757 0.083
145 HB2 CYS 18 2HB CYS 18 -7.750 2.414 -2.371
146 HB3 CYS 18 1HB CYS 18 -7.328 4.092 -2.641
Start of MODEL 9
1 H1 ARG 1 1HT ARG 1 -2.212 6.297 4.470
2 H2 ARG 1 2HT ARG 1 -2.346 6.979 6.016
3 H3 ARG 1 3HT ARG 1 -2.448 5.288 5.792
4 HA ARG 1 HA ARG 1 -0.081 6.910 5.219
5 HB2 ARG 1 2HB ARG 1 -0.508 6.776 7.644
6 HB3 ARG 1 1HB ARG 1 -0.679 5.033 7.523
7 HG2 ARG 1 2HG ARG 1 1.492 5.546 8.402
8 HG3 ARG 1 1HG ARG 1 1.671 4.882 6.776
9 HD2 ARG 1 2HD ARG 1 1.767 7.301 5.981
10 HD3 ARG 1 1HD ARG 1 1.937 7.737 7.680
11 HE ARG 1 HE ARG 1 3.747 5.815 6.461
12 HH11 ARG 1 1HH1 ARG 1 3.301 8.922 8.142
13 HH12 ARG 1 2HH1 ARG 1 4.951 9.306 8.160
14 HH21 ARG 1 1HH2 ARG 1 6.029 6.363 6.483
15 HH22 ARG 1 2HH2 ARG 1 6.544 7.824 7.204
16 H CYS 2 H CYS 2 1.329 5.886 3.912
17 HA CYS 2 HA CYS 2 0.852 3.089 3.329
18 HB2 CYS 2 2HB CYS 2 2.813 5.051 2.081
19 HB3 CYS 2 1HB CYS 2 2.490 3.419 1.516
20 H VAL 3 H VAL 3 2.327 1.508 3.887
21 HA VAL 3 HA VAL 3 4.253 2.359 5.916
22 HB VAL 3 HB VAL 3 3.048 -0.385 5.439
23 HG11 VAL 3 1HG1 VAL 3 5.238 -0.496 6.492
24 HG12 VAL 3 2HG1 VAL 3 3.975 -0.950 7.637
25 HG13 VAL 3 3HG1 VAL 3 4.715 0.648 7.730
26 HG21 VAL 3 3HG2 VAL 3 2.359 1.665 7.551
27 HG22 VAL 3 1HG2 VAL 3 1.716 0.025 7.468
28 HG23 VAL 3 2HG2 VAL 3 1.339 1.190 6.197
29 H CYS 4 H CYS 4 6.276 2.385 5.243
30 HA CYS 4 HA CYS 4 7.040 0.621 3.038
31 HB2 CYS 4 2HB CYS 4 8.595 2.907 4.204
32 HB3 CYS 4 1HB CYS 4 8.931 2.055 2.710
33 H ARG 5 H ARG 5 8.308 -0.934 3.293
34 HA ARG 5 HA ARG 5 10.033 -1.176 5.644
35 HB2 ARG 5 2HB ARG 5 7.900 -2.382 6.136
36 HB3 ARG 5 1HB ARG 5 8.159 -3.358 4.700
37 HG2 ARG 5 2HG ARG 5 10.285 -4.162 5.707
38 HG3 ARG 5 1HG ARG 5 9.856 -3.297 7.184
39 HD2 ARG 5 2HD ARG 5 9.207 -5.614 7.397
40 HD3 ARG 5 1HD ARG 5 7.765 -4.602 7.286
41 HE ARG 5 HE ARG 5 8.593 -5.555 4.741
42 HH11 ARG 5 1HH1 ARG 5 6.724 -6.490 7.612
43 HH12 ARG 5 2HH1 ARG 5 5.890 -7.735 6.804
44 HH21 ARG 5 1HH2 ARG 5 7.407 -7.237 3.653
45 HH22 ARG 5 2HH2 ARG 5 6.283 -8.162 4.518
46 H ARG 6 H ARG 6 12.019 -1.520 4.821
47 HA ARG 6 HA ARG 6 13.713 -2.180 3.554
48 HB2 ARG 6 2HB ARG 6 12.850 -4.473 4.089
49 HB3 ARG 6 1HB ARG 6 11.845 -4.411 2.658
50 HG2 ARG 6 2HG ARG 6 13.874 -5.806 2.404
51 HG3 ARG 6 1HG ARG 6 13.770 -4.499 1.228
52 HD2 ARG 6 2HD ARG 6 16.038 -4.749 2.105
53 HD3 ARG 6 1HD ARG 6 15.356 -3.181 2.516
54 HE ARG 6 HE ARG 6 14.875 -4.900 4.653
55 HH11 ARG 6 1HH1 ARG 6 17.656 -3.416 3.049
56 HH12 ARG 6 2HH1 ARG 6 18.639 -3.433 4.436
57 HH21 ARG 6 1HH2 ARG 6 16.213 -4.873 6.572
58 HH22 ARG 6 2HH2 ARG 6 17.798 -4.269 6.492
59 H GLY 7 H GLY 7 11.914 -0.238 2.677
60 HA2 GLY 7 2HA GLY 7 11.995 1.189 0.881
61 HA3 GLY 7 1HA GLY 7 12.745 -0.106 -0.039
62 H VAL 8 H VAL 8 10.181 -1.629 1.194
63 HA VAL 8 HA VAL 8 8.634 -1.084 -1.213
64 HB VAL 8 HB VAL 8 8.371 -3.370 0.762
65 HG11 VAL 8 1HG1 VAL 8 6.258 -2.894 -0.373
66 HG12 VAL 8 2HG1 VAL 8 6.943 -4.410 -0.962
67 HG13 VAL 8 3HG1 VAL 8 7.070 -2.947 -1.935
68 HG21 VAL 8 3HG2 VAL 8 9.367 -4.723 -1.032
69 HG22 VAL 8 1HG2 VAL 8 10.467 -3.468 -0.450
70 HG23 VAL 8 2HG2 VAL 8 9.615 -3.256 -1.978
71 H CYS 9 H CYS 9 7.065 0.265 -1.062
72 HA CYS 9 HA CYS 9 5.817 0.801 1.510
73 HB2 CYS 9 2HB CYS 9 5.733 2.336 -1.084
74 HB3 CYS 9 1HB CYS 9 5.015 2.845 0.444
75 H ARG 10 H ARG 10 4.009 -0.064 1.993
76 HA ARG 10 HA ARG 10 2.200 -0.900 -0.141
77 HB2 ARG 10 2HB ARG 10 2.969 -2.812 1.137
78 HB3 ARG 10 1HB ARG 10 2.628 -1.994 2.653
79 HG2 ARG 10 2HG ARG 10 0.242 -2.097 2.194
80 HG3 ARG 10 1HG ARG 10 0.558 -2.845 0.633
81 HD2 ARG 10 2HD ARG 10 -0.118 -4.466 2.395
82 HD3 ARG 10 1HD ARG 10 1.454 -4.810 1.687
83 HE ARG 10 HE ARG 10 2.492 -4.152 3.666
84 HH11 ARG 10 1HH1 ARG 10 -1.064 -3.856 4.037
85 HH12 ARG 10 2HH1 ARG 10 -1.012 -4.004 5.709
86 HH21 ARG 10 1HH2 ARG 10 2.510 -4.378 5.958
87 HH22 ARG 10 2HH2 ARG 10 1.071 -4.318 6.867
88 H CYS 11 H CYS 11 0.395 0.254 -0.249
89 HA CYS 11 HA CYS 11 -0.187 2.084 1.923
90 HB2 CYS 11 2HB CYS 11 -1.237 1.952 -0.905
91 HB3 CYS 11 1HB CYS 11 -1.665 3.179 0.281
92 H VAL 12 H VAL 12 -1.936 1.892 3.154
93 HA VAL 12 HA VAL 12 -3.339 -0.601 3.056
94 HB VAL 12 HB VAL 12 -3.784 1.770 4.891
95 HG11 VAL 12 1HG1 VAL 12 -5.704 0.286 4.834
96 HG12 VAL 12 2HG1 VAL 12 -4.871 0.146 6.381
97 HG13 VAL 12 3HG1 VAL 12 -4.665 -1.103 5.154
98 HG21 VAL 12 3HG2 VAL 12 -2.116 -0.712 5.322
99 HG22 VAL 12 1HG2 VAL 12 -2.447 0.524 6.537
100 HG23 VAL 12 2HG2 VAL 12 -1.503 0.924 5.100
101 H CYS 13 H CYS 13 -4.663 -0.701 1.357
102 HA CYS 13 HA CYS 13 -6.372 1.407 0.533
103 HB2 CYS 13 2HB CYS 13 -5.759 -0.227 -1.081
104 HB3 CYS 13 1HB CYS 13 -6.398 -1.544 -0.066
105 H ARG 14 H ARG 14 -8.690 1.128 0.483
106 HA ARG 14 HA ARG 14 -9.580 0.287 3.148
107 HB2 ARG 14 2HB ARG 14 -9.460 2.745 2.936
108 HB3 ARG 14 1HB ARG 14 -10.518 2.681 1.540
109 HG2 ARG 14 2HG ARG 14 -12.358 1.944 2.925
110 HG3 ARG 14 1HG ARG 14 -11.297 1.838 4.332
111 HD2 ARG 14 2HD ARG 14 -11.887 4.355 2.781
112 HD3 ARG 14 1HD ARG 14 -12.636 3.915 4.319
113 HE ARG 14 HE ARG 14 -10.179 3.847 5.098
114 HH11 ARG 14 1HH1 ARG 14 -11.533 6.254 2.875
115 HH12 ARG 14 2HH1 ARG 14 -10.401 7.457 3.295
116 HH21 ARG 14 1HH2 ARG 14 -8.691 5.488 5.670
117 HH22 ARG 14 2HH2 ARG 14 -8.737 7.028 4.915
118 H ARG 15 H ARG 15 -9.814 -1.672 1.983
119 HA ARG 15 HA ARG 15 -10.853 -3.252 0.768
120 HB2 ARG 15 2HB ARG 15 -11.920 -3.281 2.849
121 HB3 ARG 15 1HB ARG 15 -12.907 -1.903 2.436
122 HG2 ARG 15 2HG ARG 15 -14.205 -3.310 0.894
123 HG3 ARG 15 1HG ARG 15 -13.132 -4.675 1.226
124 HD2 ARG 15 2HD ARG 15 -15.283 -4.757 2.485
125 HD3 ARG 15 1HD ARG 15 -13.847 -4.763 3.511
126 HE ARG 15 HE ARG 15 -14.849 -2.141 3.064
127 HH11 ARG 15 1HH1 ARG 15 -15.511 -5.033 4.976
128 HH12 ARG 15 2HH1 ARG 15 -16.065 -4.185 6.339
129 HH21 ARG 15 1HH2 ARG 15 -15.575 -0.986 4.891
130 HH22 ARG 15 2HH2 ARG 15 -16.110 -1.823 6.292
131 H GLY 16 H GLY 16 -10.348 -2.035 -1.229
132 HA2 GLY 16 2HA GLY 16 -11.326 -2.145 -3.411
133 HA3 GLY 16 1HA GLY 16 -12.858 -1.653 -2.706
134 H VAL 17 H VAL 17 -11.472 0.474 -1.069
135 HA VAL 17 HA VAL 17 -11.454 2.432 -3.220
136 HB VAL 17 HB VAL 17 -11.500 2.871 -0.203
137 HG11 VAL 17 1HG1 VAL 17 -12.031 4.806 -2.462
138 HG12 VAL 17 2HG1 VAL 17 -10.612 4.789 -1.413
139 HG13 VAL 17 3HG1 VAL 17 -12.202 5.156 -0.741
140 HG21 VAL 17 3HG2 VAL 17 -13.892 3.401 -0.468
141 HG22 VAL 17 1HG2 VAL 17 -13.525 1.734 -0.916
142 HG23 VAL 17 2HG2 VAL 17 -13.787 2.941 -2.173
143 H CYS 18 H CYS 18 -9.477 1.731 -3.961
144 HA CYS 18 HA CYS 18 -7.169 2.133 -2.214
145 HB2 CYS 18 2HB CYS 18 -7.260 0.854 -4.962
146 HB3 CYS 18 1HB CYS 18 -5.913 0.844 -3.842
Start of MODEL 10
1 H1 ARG 1 1HT ARG 1 -2.927 4.963 4.871
2 H2 ARG 1 2HT ARG 1 -3.015 6.024 6.191
3 H3 ARG 1 3HT ARG 1 -2.152 4.566 6.297
4 HA ARG 1 HA ARG 1 -1.416 6.772 4.496
5 HB2 ARG 1 2HB ARG 1 -1.036 7.077 7.037
6 HB3 ARG 1 1HB ARG 1 0.082 5.729 6.917
7 HG2 ARG 1 2HG ARG 1 1.326 7.063 5.177
8 HG3 ARG 1 1HG ARG 1 0.298 8.429 5.607
9 HD2 ARG 1 2HD ARG 1 2.190 8.769 6.910
10 HD3 ARG 1 1HD ARG 1 1.090 7.962 8.026
11 HE ARG 1 HE ARG 1 3.145 6.486 6.533
12 HH11 ARG 1 1HH1 ARG 1 1.604 7.198 9.647
13 HH12 ARG 1 2HH1 ARG 1 2.703 6.276 10.559
14 HH21 ARG 1 1HH2 ARG 1 4.655 5.214 7.797
15 HH22 ARG 1 2HH2 ARG 1 4.476 5.112 9.483
16 H CYS 2 H CYS 2 -0.077 5.992 2.897
17 HA CYS 2 HA CYS 2 0.572 3.220 2.833
18 HB2 CYS 2 2HB CYS 2 1.456 5.527 1.093
19 HB3 CYS 2 1HB CYS 2 1.844 3.837 0.770
20 H VAL 3 H VAL 3 2.288 2.223 3.643
21 HA VAL 3 HA VAL 3 4.404 3.889 4.838
22 HB VAL 3 HB VAL 3 3.367 1.177 5.737
23 HG11 VAL 3 1HG1 VAL 3 5.320 3.026 7.095
24 HG12 VAL 3 2HG1 VAL 3 5.725 1.514 6.283
25 HG13 VAL 3 3HG1 VAL 3 4.722 1.493 7.736
26 HG21 VAL 3 3HG2 VAL 3 1.712 2.917 6.147
27 HG22 VAL 3 1HG2 VAL 3 2.921 3.888 6.985
28 HG23 VAL 3 2HG2 VAL 3 2.406 2.347 7.667
29 H CYS 4 H CYS 4 6.499 3.320 4.310
30 HA CYS 4 HA CYS 4 6.801 0.951 2.619
31 HB2 CYS 4 2HB CYS 4 8.480 3.434 2.554
32 HB3 CYS 4 1HB CYS 4 8.616 2.047 1.490
33 H ARG 5 H ARG 5 8.095 -0.470 3.187
34 HA ARG 5 HA ARG 5 10.077 0.017 5.298
35 HB2 ARG 5 2HB ARG 5 8.210 -2.373 5.190
36 HB3 ARG 5 1HB ARG 5 9.403 -2.035 6.435
37 HG2 ARG 5 2HG ARG 5 8.112 -0.068 7.136
38 HG3 ARG 5 1HG ARG 5 6.937 -0.398 5.869
39 HD2 ARG 5 2HD ARG 5 6.072 -1.224 7.945
40 HD3 ARG 5 1HD ARG 5 6.506 -2.589 6.917
41 HE ARG 5 HE ARG 5 8.506 -1.705 8.788
42 HH11 ARG 5 1HH1 ARG 5 5.942 -4.026 8.065
43 HH12 ARG 5 2HH1 ARG 5 6.361 -5.114 9.307
44 HH21 ARG 5 1HH2 ARG 5 9.083 -3.172 10.507
45 HH22 ARG 5 2HH2 ARG 5 8.210 -4.612 10.746
46 H ARG 6 H ARG 6 11.958 -0.493 4.348
47 HA ARG 6 HA ARG 6 13.549 -1.460 3.057
48 HB2 ARG 6 2HB ARG 6 12.989 -3.469 4.437
49 HB3 ARG 6 1HB ARG 6 11.747 -3.911 3.285
50 HG2 ARG 6 2HG ARG 6 13.496 -4.305 1.583
51 HG3 ARG 6 1HG ARG 6 14.729 -3.894 2.777
52 HD2 ARG 6 2HD ARG 6 14.044 -5.738 4.172
53 HD3 ARG 6 1HD ARG 6 12.714 -6.115 3.082
54 HE ARG 6 HE ARG 6 14.551 -6.541 1.399
55 HH11 ARG 6 1HH1 ARG 6 15.077 -7.032 4.889
56 HH12 ARG 6 2HH1 ARG 6 16.146 -8.328 4.668
57 HH21 ARG 6 1HH2 ARG 6 16.042 -8.389 1.149
58 HH22 ARG 6 2HH2 ARG 6 16.701 -9.082 2.566
59 H GLY 7 H GLY 7 11.546 0.032 1.796
60 HA2 GLY 7 2HA GLY 7 11.173 0.648 -0.397
61 HA3 GLY 7 1HA GLY 7 11.880 -0.889 -0.878
62 H VAL 8 H VAL 8 9.829 -2.055 1.184
63 HA VAL 8 HA VAL 8 7.835 -2.567 -0.824
64 HB VAL 8 HB VAL 8 7.986 -3.610 2.021
65 HG11 VAL 8 1HG1 VAL 8 6.471 -4.648 -0.370
66 HG12 VAL 8 2HG1 VAL 8 5.774 -3.820 1.019
67 HG13 VAL 8 3HG1 VAL 8 6.524 -5.408 1.222
68 HG21 VAL 8 3HG2 VAL 8 10.007 -4.241 0.801
69 HG22 VAL 8 1HG2 VAL 8 9.026 -4.891 -0.513
70 HG23 VAL 8 2HG2 VAL 8 8.984 -5.651 1.077
71 H CYS 9 H CYS 9 6.492 -0.979 -1.054
72 HA CYS 9 HA CYS 9 5.473 0.474 1.243
73 HB2 CYS 9 2HB CYS 9 5.046 0.918 -1.710
74 HB3 CYS 9 1HB CYS 9 4.476 1.975 -0.421
75 H ARG 10 H ARG 10 3.651 0.088 2.130
76 HA ARG 10 HA ARG 10 1.703 -1.530 0.688
77 HB2 ARG 10 2HB ARG 10 2.942 -2.929 2.288
78 HB3 ARG 10 1HB ARG 10 2.527 -1.816 3.581
79 HG2 ARG 10 2HG ARG 10 1.123 -3.798 3.657
80 HG3 ARG 10 1HG ARG 10 0.158 -2.368 3.296
81 HD2 ARG 10 2HD ARG 10 -0.495 -4.261 1.892
82 HD3 ARG 10 1HD ARG 10 0.159 -2.943 0.927
83 HE ARG 10 HE ARG 10 1.953 -5.087 1.728
84 HH11 ARG 10 1HH1 ARG 10 0.133 -3.502 -0.884
85 HH12 ARG 10 2HH1 ARG 10 0.857 -4.399 -2.120
86 HH21 ARG 10 1HH2 ARG 10 2.975 -6.320 -0.021
87 HH22 ARG 10 2HH2 ARG 10 2.478 -6.064 -1.616
88 H CYS 11 H CYS 11 -0.218 -0.604 0.666
89 HA CYS 11 HA CYS 11 -0.845 1.449 2.626
90 HB2 CYS 11 2HB CYS 11 -2.192 0.837 -0.003
91 HB3 CYS 11 1HB CYS 11 -2.391 2.267 0.993
92 H VAL 12 H VAL 12 -2.301 0.797 4.130
93 HA VAL 12 HA VAL 12 -3.753 -1.673 3.735
94 HB VAL 12 HB VAL 12 -3.889 0.330 6.040
95 HG11 VAL 12 1HG1 VAL 12 -5.973 -0.947 5.842
96 HG12 VAL 12 2HG1 VAL 12 -5.075 -1.443 7.276
97 HG13 VAL 12 3HG1 VAL 12 -5.059 -2.455 5.828
98 HG21 VAL 12 3HG2 VAL 12 -2.543 -2.369 5.884
99 HG22 VAL 12 1HG2 VAL 12 -2.601 -1.327 7.302
100 HG23 VAL 12 2HG2 VAL 12 -1.715 -0.817 5.866
101 H CYS 13 H CYS 13 -5.159 -1.396 2.156
102 HA CYS 13 HA CYS 13 -6.722 1.018 1.942
103 HB2 CYS 13 2HB CYS 13 -6.569 -1.389 0.172
104 HB3 CYS 13 1HB CYS 13 -7.284 0.167 -0.195
105 H ARG 14 H ARG 14 -8.930 0.862 1.534
106 HA ARG 14 HA ARG 14 -10.260 -1.387 2.846
107 HB2 ARG 14 2HB ARG 14 -11.284 1.384 2.123
108 HB3 ARG 14 1HB ARG 14 -12.278 0.123 2.828
109 HG2 ARG 14 2HG ARG 14 -10.943 0.161 4.846
110 HG3 ARG 14 1HG ARG 14 -9.857 1.347 4.124
111 HD2 ARG 14 2HD ARG 14 -11.737 2.918 3.934
112 HD3 ARG 14 1HD ARG 14 -12.787 1.733 4.713
113 HE ARG 14 HE ARG 14 -10.822 1.991 6.490
114 HH11 ARG 14 1HH1 ARG 14 -12.751 4.449 4.803
115 HH12 ARG 14 2HH1 ARG 14 -12.701 5.566 6.086
116 HH21 ARG 14 1HH2 ARG 14 -10.752 3.563 8.255
117 HH22 ARG 14 2HH2 ARG 14 -11.538 5.068 8.073
118 H ARG 15 H ARG 15 -9.713 -2.650 1.052
119 HA ARG 15 HA ARG 15 -9.755 -3.503 -1.002
120 HB2 ARG 15 2HB ARG 15 -11.528 -4.537 0.145
121 HB3 ARG 15 1HB ARG 15 -12.581 -3.174 -0.155
122 HG2 ARG 15 2HG ARG 15 -12.734 -3.795 -2.508
123 HG3 ARG 15 1HG ARG 15 -11.509 -5.046 -2.291
124 HD2 ARG 15 2HD ARG 15 -14.185 -4.988 -0.923
125 HD3 ARG 15 1HD ARG 15 -13.811 -5.949 -2.354
126 HE ARG 15 HE ARG 15 -11.926 -6.766 -0.729
127 HH11 ARG 15 1HH1 ARG 15 -15.346 -6.216 0.085
128 HH12 ARG 15 2HH1 ARG 15 -15.454 -7.517 1.168
129 HH21 ARG 15 1HH2 ARG 15 -12.065 -8.568 0.791
130 HH22 ARG 15 2HH2 ARG 15 -13.541 -8.849 1.606
131 H GLY 16 H GLY 16 -8.800 -1.601 -1.957
132 HA2 GLY 16 2HA GLY 16 -8.801 -0.718 -4.174
133 HA3 GLY 16 1HA GLY 16 -10.555 -0.668 -4.107
134 H VAL 17 H VAL 17 -10.327 0.542 -1.297
135 HA VAL 17 HA VAL 17 -10.156 3.210 -2.337
136 HB VAL 17 HB VAL 17 -10.987 2.335 0.445
137 HG11 VAL 17 1HG1 VAL 17 -10.193 4.648 0.396
138 HG12 VAL 17 2HG1 VAL 17 -11.941 4.596 0.638
139 HG13 VAL 17 3HG1 VAL 17 -11.281 5.004 -0.945
140 HG21 VAL 17 3HG2 VAL 17 -12.673 3.119 -1.934
141 HG22 VAL 17 1HG2 VAL 17 -13.281 2.776 -0.314
142 HG23 VAL 17 2HG2 VAL 17 -12.517 1.495 -1.262
143 H CYS 18 H CYS 18 -8.074 3.224 -2.715
144 HA CYS 18 HA CYS 18 -6.591 4.536 -0.609
145 HB2 CYS 18 2HB CYS 18 -5.546 2.205 -2.181
146 HB3 CYS 18 1HB CYS 18 -4.444 3.515 -1.781
Start of MODEL 11
1 H1 ARG 1 1HT ARG 1 -3.412 5.252 2.384
2 H2 ARG 1 2HT ARG 1 -2.550 6.084 1.252
3 H3 ARG 1 3HT ARG 1 -3.527 6.945 2.285
4 HA ARG 1 HA ARG 1 -1.218 7.146 2.822
5 HB2 ARG 1 2HB ARG 1 -2.737 5.405 4.796
6 HB3 ARG 1 1HB ARG 1 -1.162 6.071 5.162
7 HG2 ARG 1 2HG ARG 1 -2.673 7.521 6.206
8 HG3 ARG 1 1HG ARG 1 -2.218 8.364 4.735
9 HD2 ARG 1 2HD ARG 1 -4.541 8.649 4.905
10 HD3 ARG 1 1HD ARG 1 -4.341 7.360 3.724
11 HE ARG 1 HE ARG 1 -4.670 6.403 6.391
12 HH11 ARG 1 1HH1 ARG 1 -6.376 7.331 3.433
13 HH12 ARG 1 2HH1 ARG 1 -7.869 6.675 3.900
14 HH21 ARG 1 1HH2 ARG 1 -6.728 5.506 7.062
15 HH22 ARG 1 2HH2 ARG 1 -8.072 5.594 6.026
16 H CYS 2 H CYS 2 0.755 6.364 2.451
17 HA CYS 2 HA CYS 2 0.953 3.507 1.879
18 HB2 CYS 2 2HB CYS 2 2.793 5.766 1.036
19 HB3 CYS 2 1HB CYS 2 2.928 4.088 0.536
20 H VAL 3 H VAL 3 2.545 2.240 2.853
21 HA VAL 3 HA VAL 3 4.103 3.555 4.935
22 HB VAL 3 HB VAL 3 2.111 2.529 6.012
23 HG11 VAL 3 1HG1 VAL 3 1.567 0.816 4.409
24 HG12 VAL 3 2HG1 VAL 3 1.756 0.104 6.014
25 HG13 VAL 3 3HG1 VAL 3 3.041 -0.065 4.815
26 HG21 VAL 3 3HG2 VAL 3 4.190 2.553 7.276
27 HG22 VAL 3 1HG2 VAL 3 4.648 0.996 6.586
28 HG23 VAL 3 2HG2 VAL 3 3.255 1.114 7.664
29 H CYS 4 H CYS 4 6.173 2.593 5.202
30 HA CYS 4 HA CYS 4 6.696 0.590 3.155
31 HB2 CYS 4 2HB CYS 4 8.644 2.688 4.109
32 HB3 CYS 4 1HB CYS 4 8.863 1.557 2.777
33 H ARG 5 H ARG 5 7.914 -1.093 3.562
34 HA ARG 5 HA ARG 5 8.876 -1.408 6.289
35 HB2 ARG 5 2HB ARG 5 6.794 -2.631 6.140
36 HB3 ARG 5 1HB ARG 5 7.309 -3.405 4.652
37 HG2 ARG 5 2HG ARG 5 9.021 -4.636 5.823
38 HG3 ARG 5 1HG ARG 5 8.657 -3.790 7.323
39 HD2 ARG 5 2HD ARG 5 7.694 -6.049 7.234
40 HD3 ARG 5 1HD ARG 5 6.461 -4.800 7.403
41 HE ARG 5 HE ARG 5 6.733 -5.270 4.705
42 HH11 ARG 5 1HH1 ARG 5 5.825 -7.241 7.499
43 HH12 ARG 5 2HH1 ARG 5 4.738 -8.219 6.614
44 HH21 ARG 5 1HH2 ARG 5 5.225 -6.584 3.528
45 HH22 ARG 5 2HH2 ARG 5 4.385 -7.839 4.317
46 H ARG 6 H ARG 6 10.923 -1.321 6.019
47 HA ARG 6 HA ARG 6 13.047 -1.851 5.521
48 HB2 ARG 6 2HB ARG 6 12.057 -3.996 6.438
49 HB3 ARG 6 1HB ARG 6 11.909 -4.542 4.783
50 HG2 ARG 6 2HG ARG 6 14.317 -4.465 4.518
51 HG3 ARG 6 1HG ARG 6 14.492 -3.832 6.164
52 HD2 ARG 6 2HD ARG 6 13.353 -5.856 7.003
53 HD3 ARG 6 1HD ARG 6 13.346 -6.505 5.367
54 HE ARG 6 HE ARG 6 15.955 -5.880 5.929
55 HH11 ARG 6 1HH1 ARG 6 13.470 -8.024 7.253
56 HH12 ARG 6 2HH1 ARG 6 14.567 -9.156 7.890
57 HH21 ARG 6 1HH2 ARG 6 17.484 -7.458 6.843
58 HH22 ARG 6 2HH2 ARG 6 16.884 -8.818 7.675
59 H GLY 7 H GLY 7 12.132 -0.385 3.547
60 HA2 GLY 7 2HA GLY 7 13.076 0.190 1.516
61 HA3 GLY 7 1HA GLY 7 13.491 -1.498 1.286
62 H VAL 8 H VAL 8 10.612 -2.226 1.978
63 HA VAL 8 HA VAL 8 9.657 -1.808 -0.757
64 HB VAL 8 HB VAL 8 8.692 -3.813 1.301
65 HG11 VAL 8 1HG1 VAL 8 7.559 -4.901 -0.594
66 HG12 VAL 8 2HG1 VAL 8 8.089 -3.599 -1.655
67 HG13 VAL 8 3HG1 VAL 8 6.967 -3.259 -0.337
68 HG21 VAL 8 3HG2 VAL 8 9.881 -5.502 -0.045
69 HG22 VAL 8 1HG2 VAL 8 10.979 -4.304 0.645
70 HG23 VAL 8 2HG2 VAL 8 10.535 -4.212 -1.057
71 H CYS 9 H CYS 9 8.302 -0.193 -0.993
72 HA CYS 9 HA CYS 9 6.649 0.634 1.214
73 HB2 CYS 9 2HB CYS 9 7.091 1.826 -1.505
74 HB3 CYS 9 1HB CYS 9 5.946 2.470 -0.326
75 H ARG 10 H ARG 10 4.498 0.529 1.369
76 HA ARG 10 HA ARG 10 3.088 -0.944 -0.708
77 HB2 ARG 10 2HB ARG 10 3.671 -2.494 1.064
78 HB3 ARG 10 1HB ARG 10 3.078 -1.381 2.284
79 HG2 ARG 10 2HG ARG 10 1.509 -3.204 1.958
80 HG3 ARG 10 1HG ARG 10 0.788 -1.683 1.436
81 HD2 ARG 10 2HD ARG 10 0.275 -3.449 -0.146
82 HD3 ARG 10 1HD ARG 10 1.332 -2.243 -0.883
83 HE ARG 10 HE ARG 10 2.841 -4.330 0.238
84 HH11 ARG 10 1HH1 ARG 10 0.855 -3.550 -2.595
85 HH12 ARG 10 2HH1 ARG 10 1.506 -4.780 -3.572
86 HH21 ARG 10 1HH2 ARG 10 3.749 -6.020 -1.122
87 HH22 ARG 10 2HH2 ARG 10 3.212 -6.195 -2.723
88 H CYS 11 H CYS 11 1.644 0.567 -1.436
89 HA CYS 11 HA CYS 11 0.364 2.261 0.502
90 HB2 CYS 11 2HB CYS 11 -0.145 1.956 -2.445
91 HB3 CYS 11 1HB CYS 11 -0.823 3.196 -1.410
92 H VAL 12 H VAL 12 -1.193 1.579 1.581
93 HA VAL 12 HA VAL 12 -2.468 -0.910 0.778
94 HB VAL 12 HB VAL 12 -1.312 -1.033 2.900
95 HG11 VAL 12 1HG1 VAL 12 -1.277 1.258 3.574
96 HG12 VAL 12 2HG1 VAL 12 -1.987 0.289 4.864
97 HG13 VAL 12 3HG1 VAL 12 -3.022 1.259 3.815
98 HG21 VAL 12 3HG2 VAL 12 -3.321 -2.370 2.745
99 HG22 VAL 12 1HG2 VAL 12 -4.300 -1.016 3.311
100 HG23 VAL 12 2HG2 VAL 12 -3.135 -1.771 4.396
101 H CYS 13 H CYS 13 -4.623 -1.083 0.438
102 HA CYS 13 HA CYS 13 -6.232 1.299 0.814
103 HB2 CYS 13 2HB CYS 13 -6.456 -0.894 -1.236
104 HB3 CYS 13 1HB CYS 13 -7.394 0.572 -1.133
105 H ARG 14 H ARG 14 -8.538 0.636 1.146
106 HA ARG 14 HA ARG 14 -8.792 -1.977 2.453
107 HB2 ARG 14 2HB ARG 14 -10.674 0.408 2.471
108 HB3 ARG 14 1HB ARG 14 -10.827 -1.047 3.449
109 HG2 ARG 14 2HG ARG 14 -8.805 -0.442 4.663
110 HG3 ARG 14 1HG ARG 14 -8.648 1.013 3.675
111 HD2 ARG 14 2HD ARG 14 -10.890 1.718 4.491
112 HD3 ARG 14 1HD ARG 14 -10.871 0.340 5.599
113 HE ARG 14 HE ARG 14 -8.577 2.057 5.758
114 HH11 ARG 14 1HH1 ARG 14 -11.779 1.350 7.118
115 HH12 ARG 14 2HH1 ARG 14 -11.529 2.318 8.495
116 HH21 ARG 14 1HH2 ARG 14 -8.265 3.337 7.649
117 HH22 ARG 14 2HH2 ARG 14 -9.500 3.479 8.807
118 H ARG 15 H ARG 15 -10.901 -3.024 1.797
119 HA ARG 15 HA ARG 15 -10.941 -3.176 -1.045
120 HB2 ARG 15 2HB ARG 15 -11.012 -5.176 0.400
121 HB3 ARG 15 1HB ARG 15 -12.546 -4.635 1.058
122 HG2 ARG 15 2HG ARG 15 -13.525 -4.849 -1.215
123 HG3 ARG 15 1HG ARG 15 -11.992 -5.537 -1.755
124 HD2 ARG 15 2HD ARG 15 -12.202 -7.359 -0.206
125 HD3 ARG 15 1HD ARG 15 -13.642 -6.639 0.511
126 HE ARG 15 HE ARG 15 -13.770 -7.225 -2.313
127 HH11 ARG 15 1HH1 ARG 15 -14.535 -8.339 0.986
128 HH12 ARG 15 2HH1 ARG 15 -15.732 -9.425 0.447
129 HH21 ARG 15 1HH2 ARG 15 -15.432 -8.735 -2.985
130 HH22 ARG 15 2HH2 ARG 15 -16.229 -9.665 -1.805
131 H GLY 16 H GLY 16 -11.615 -0.967 -0.868
132 HA2 GLY 16 2HA GLY 16 -13.827 -0.353 -2.244
133 HA3 GLY 16 1HA GLY 16 -14.490 -0.478 -0.622
134 H VAL 17 H VAL 17 -11.551 0.619 0.102
135 HA VAL 17 HA VAL 17 -12.025 3.411 -0.523
136 HB VAL 17 HB VAL 17 -11.899 2.413 2.362
137 HG11 VAL 17 1HG1 VAL 17 -10.622 4.461 2.101
138 HG12 VAL 17 2HG1 VAL 17 -12.098 4.772 3.013
139 HG13 VAL 17 3HG1 VAL 17 -11.996 5.240 1.315
140 HG21 VAL 17 3HG2 VAL 17 -14.116 3.912 0.950
141 HG22 VAL 17 1HG2 VAL 17 -14.103 3.446 2.652
142 HG23 VAL 17 2HG2 VAL 17 -14.157 2.207 1.397
143 H CYS 18 H CYS 18 -10.053 3.641 -1.484
144 HA CYS 18 HA CYS 18 -7.763 2.738 0.057
145 HB2 CYS 18 2HB CYS 18 -7.864 2.147 -2.415
146 HB3 CYS 18 1HB CYS 18 -7.740 3.867 -2.761
Start of MODEL 12
1 H1 ARG 1 1HT ARG 1 -3.665 5.688 4.709
2 H2 ARG 1 2HT ARG 1 -3.483 4.032 4.430
3 H3 ARG 1 3HT ARG 1 -3.090 5.143 3.223
4 HA ARG 1 HA ARG 1 -1.291 5.998 4.493
5 HB2 ARG 1 2HB ARG 1 -2.192 5.517 6.742
6 HB3 ARG 1 1HB ARG 1 -2.028 3.790 6.432
7 HG2 ARG 1 2HG ARG 1 0.422 4.123 6.182
8 HG3 ARG 1 1HG ARG 1 0.195 5.804 6.636
9 HD2 ARG 1 2HD ARG 1 -0.685 5.105 8.804
10 HD3 ARG 1 1HD ARG 1 -0.503 3.415 8.332
11 HE ARG 1 HE ARG 1 1.917 4.965 8.163
12 HH11 ARG 1 1HH1 ARG 1 -0.052 2.945 10.339
13 HH12 ARG 1 2HH1 ARG 1 1.257 2.525 11.340
14 HH21 ARG 1 1HH2 ARG 1 3.690 4.353 9.530
15 HH22 ARG 1 2HH2 ARG 1 3.437 3.348 10.874
16 H CYS 2 H CYS 2 0.640 5.245 3.753
17 HA CYS 2 HA CYS 2 0.737 2.442 3.003
18 HB2 CYS 2 2HB CYS 2 2.262 4.756 1.790
19 HB3 CYS 2 1HB CYS 2 2.241 3.089 1.217
20 H VAL 3 H VAL 3 2.606 1.329 3.549
21 HA VAL 3 HA VAL 3 4.198 2.718 5.587
22 HB VAL 3 HB VAL 3 3.490 -0.236 5.533
23 HG11 VAL 3 1HG1 VAL 3 4.785 1.433 7.674
24 HG12 VAL 3 2HG1 VAL 3 5.593 0.254 6.646
25 HG13 VAL 3 3HG1 VAL 3 4.376 -0.277 7.808
26 HG21 VAL 3 3HG2 VAL 3 1.999 0.218 7.438
27 HG22 VAL 3 1HG2 VAL 3 1.473 1.066 5.981
28 HG23 VAL 3 2HG2 VAL 3 2.312 1.943 7.265
29 H CYS 4 H CYS 4 6.287 2.777 5.141
30 HA CYS 4 HA CYS 4 7.305 1.102 2.980
31 HB2 CYS 4 2HB CYS 4 8.635 3.383 4.351
32 HB3 CYS 4 1HB CYS 4 9.147 2.610 2.867
33 H ARG 5 H ARG 5 8.305 -0.499 3.387
34 HA ARG 5 HA ARG 5 9.966 -0.811 5.788
35 HB2 ARG 5 2HB ARG 5 8.121 -2.964 4.686
36 HB3 ARG 5 1HB ARG 5 9.201 -3.139 6.049
37 HG2 ARG 5 2HG ARG 5 6.775 -1.355 5.927
38 HG3 ARG 5 1HG ARG 5 6.866 -2.922 6.727
39 HD2 ARG 5 2HD ARG 5 8.475 -0.474 7.450
40 HD3 ARG 5 1HD ARG 5 7.065 -1.072 8.319
41 HE ARG 5 HE ARG 5 9.348 -2.857 8.016
42 HH11 ARG 5 1HH1 ARG 5 7.407 -0.796 10.156
43 HH12 ARG 5 2HH1 ARG 5 8.114 -1.383 11.583
44 HH21 ARG 5 1HH2 ARG 5 10.346 -3.622 9.974
45 HH22 ARG 5 2HH2 ARG 5 9.843 -2.999 11.474
46 H ARG 6 H ARG 6 11.932 -1.467 5.185
47 HA ARG 6 HA ARG 6 13.695 -2.147 3.967
48 HB2 ARG 6 2HB ARG 6 12.403 -4.348 4.122
49 HB3 ARG 6 1HB ARG 6 11.755 -3.997 2.533
50 HG2 ARG 6 2HG ARG 6 13.510 -5.557 2.220
51 HG3 ARG 6 1HG ARG 6 14.136 -3.998 1.684
52 HD2 ARG 6 2HD ARG 6 14.656 -5.245 4.387
53 HD3 ARG 6 1HD ARG 6 15.767 -5.307 3.025
54 HE ARG 6 HE ARG 6 15.483 -2.689 3.305
55 HH11 ARG 6 1HH1 ARG 6 16.096 -5.161 5.772
56 HH12 ARG 6 2HH1 ARG 6 16.849 -4.103 6.855
57 HH21 ARG 6 1HH2 ARG 6 16.525 -1.233 4.775
58 HH22 ARG 6 2HH2 ARG 6 17.066 -1.780 6.282
59 H GLY 7 H GLY 7 12.251 0.089 3.131
60 HA2 GLY 7 2HA GLY 7 12.432 1.657 1.462
61 HA3 GLY 7 1HA GLY 7 13.319 0.459 0.532
62 H VAL 8 H VAL 8 10.538 -1.052 1.332
63 HA VAL 8 HA VAL 8 9.267 -0.318 -1.208
64 HB VAL 8 HB VAL 8 8.899 -2.816 0.481
65 HG11 VAL 8 1HG1 VAL 8 6.906 -2.282 -0.811
66 HG12 VAL 8 2HG1 VAL 8 7.696 -3.721 -1.458
67 HG13 VAL 8 3HG1 VAL 8 7.868 -2.171 -2.284
68 HG21 VAL 8 3HG2 VAL 8 10.409 -2.445 -2.101
69 HG22 VAL 8 1HG2 VAL 8 10.125 -3.985 -1.291
70 HG23 VAL 8 2HG2 VAL 8 11.120 -2.744 -0.517
71 H CYS 9 H CYS 9 7.361 0.717 -1.137
72 HA CYS 9 HA CYS 9 6.060 0.970 1.481
73 HB2 CYS 9 2HB CYS 9 5.792 2.784 -0.918
74 HB3 CYS 9 1HB CYS 9 5.210 3.084 0.715
75 H ARG 10 H ARG 10 4.375 -0.207 1.753
76 HA ARG 10 HA ARG 10 2.703 -0.891 -0.570
77 HB2 ARG 10 2HB ARG 10 3.680 -2.846 0.523
78 HB3 ARG 10 1HB ARG 10 3.081 -2.298 2.080
79 HG2 ARG 10 2HG ARG 10 1.659 -4.038 1.417
80 HG3 ARG 10 1HG ARG 10 0.753 -2.558 1.144
81 HD2 ARG 10 2HD ARG 10 2.166 -4.220 -0.953
82 HD3 ARG 10 1HD ARG 10 0.438 -4.179 -0.672
83 HE ARG 10 HE ARG 10 2.069 -2.050 -1.885
84 HH11 ARG 10 1HH1 ARG 10 -1.191 -3.240 -1.095
85 HH12 ARG 10 2HH1 ARG 10 -1.949 -2.417 -2.364
86 HH21 ARG 10 1HH2 ARG 10 0.994 -0.897 -3.615
87 HH22 ARG 10 2HH2 ARG 10 -0.686 -1.077 -3.855
88 H CYS 11 H CYS 11 0.475 -0.481 -0.410
89 HA CYS 11 HA CYS 11 -0.221 1.288 1.785
90 HB2 CYS 11 2HB CYS 11 -1.450 0.994 -0.925
91 HB3 CYS 11 1HB CYS 11 -1.881 2.187 0.289
92 H VAL 12 H VAL 12 -1.554 0.641 3.219
93 HA VAL 12 HA VAL 12 -2.993 -1.825 2.892
94 HB VAL 12 HB VAL 12 -2.079 -1.331 5.127
95 HG11 VAL 12 1HG1 VAL 12 -2.948 0.490 6.533
96 HG12 VAL 12 2HG1 VAL 12 -3.835 1.108 5.137
97 HG13 VAL 12 3HG1 VAL 12 -2.073 1.069 5.115
98 HG21 VAL 12 3HG2 VAL 12 -4.087 -1.635 6.526
99 HG22 VAL 12 1HG2 VAL 12 -4.093 -2.674 5.101
100 HG23 VAL 12 2HG2 VAL 12 -5.094 -1.224 5.136
101 H CYS 13 H CYS 13 -5.130 -1.990 2.261
102 HA CYS 13 HA CYS 13 -6.025 0.516 1.204
103 HB2 CYS 13 2HB CYS 13 -7.317 -0.787 -0.292
104 HB3 CYS 13 1HB CYS 13 -5.604 -1.151 -0.402
105 H ARG 14 H ARG 14 -8.293 0.753 0.816
106 HA ARG 14 HA ARG 14 -9.969 0.080 3.146
107 HB2 ARG 14 2HB ARG 14 -9.795 2.615 1.506
108 HB3 ARG 14 1HB ARG 14 -11.081 2.293 2.651
109 HG2 ARG 14 2HG ARG 14 -8.158 2.541 3.325
110 HG3 ARG 14 1HG ARG 14 -9.375 3.801 3.540
111 HD2 ARG 14 2HD ARG 14 -10.612 2.274 5.062
112 HD3 ARG 14 1HD ARG 14 -9.291 1.114 4.908
113 HE ARG 14 HE ARG 14 -8.274 3.592 5.664
114 HH11 ARG 14 1HH1 ARG 14 -10.178 0.952 7.042
115 HH12 ARG 14 2HH1 ARG 14 -9.680 1.270 8.637
116 HH21 ARG 14 1HH2 ARG 14 -7.664 4.055 7.902
117 HH22 ARG 14 2HH2 ARG 14 -8.268 3.039 9.127
118 H ARG 15 H ARG 15 -12.257 0.134 2.536
119 HA ARG 15 HA ARG 15 -12.769 -1.293 0.116
120 HB2 ARG 15 2HB ARG 15 -13.848 -1.794 2.354
121 HB3 ARG 15 1HB ARG 15 -14.732 -0.285 2.190
122 HG2 ARG 15 2HG ARG 15 -16.195 -2.067 1.559
123 HG3 ARG 15 1HG ARG 15 -15.743 -1.204 0.088
124 HD2 ARG 15 2HD ARG 15 -15.677 -3.628 -0.241
125 HD3 ARG 15 1HD ARG 15 -14.072 -2.918 -0.420
126 HE ARG 15 HE ARG 15 -14.495 -3.727 2.244
127 HH11 ARG 15 1HH1 ARG 15 -13.930 -5.211 -0.922
128 HH12 ARG 15 2HH1 ARG 15 -13.026 -6.502 -0.303
129 HH21 ARG 15 1HH2 ARG 15 -13.322 -5.529 3.095
130 HH22 ARG 15 2HH2 ARG 15 -12.702 -6.720 2.073
131 H GLY 16 H GLY 16 -11.952 0.591 -0.848
132 HA2 GLY 16 2HA GLY 16 -13.809 2.006 -2.422
133 HA3 GLY 16 1HA GLY 16 -13.280 3.098 -1.144
134 H VAL 17 H VAL 17 -10.606 1.686 -1.112
135 HA VAL 17 HA VAL 17 -9.537 2.287 -3.670
136 HB VAL 17 HB VAL 17 -9.393 4.497 -2.653
137 HG11 VAL 17 1HG1 VAL 17 -9.594 3.984 -0.317
138 HG12 VAL 17 2HG1 VAL 17 -8.152 4.968 -0.593
139 HG13 VAL 17 3HG1 VAL 17 -7.996 3.237 -0.311
140 HG21 VAL 17 3HG2 VAL 17 -7.501 3.857 -4.028
141 HG22 VAL 17 1HG2 VAL 17 -6.690 3.153 -2.628
142 HG23 VAL 17 2HG2 VAL 17 -6.962 4.895 -2.709
143 H CYS 18 H CYS 18 -8.898 0.250 -3.935
144 HA CYS 18 HA CYS 18 -6.753 -0.655 -2.237
145 HB2 CYS 18 2HB CYS 18 -8.914 -1.677 -1.330
146 HB3 CYS 18 1HB CYS 18 -9.107 -2.458 -2.887
Start of MODEL 13
1 H1 ARG 1 1HT ARG 1 -2.860 5.185 5.048
2 H2 ARG 1 2HT ARG 1 -1.726 6.315 4.554
3 H3 ARG 1 3HT ARG 1 -2.818 6.717 5.747
4 HA ARG 1 HA ARG 1 -0.593 6.226 6.585
5 HB2 ARG 1 2HB ARG 1 -2.745 4.250 7.385
6 HB3 ARG 1 1HB ARG 1 -1.235 4.453 8.263
7 HG2 ARG 1 2HG ARG 1 -1.806 6.801 8.666
8 HG3 ARG 1 1HG ARG 1 -3.340 6.559 7.831
9 HD2 ARG 1 2HD ARG 1 -4.047 4.986 9.507
10 HD3 ARG 1 1HD ARG 1 -2.452 5.027 10.266
11 HE ARG 1 HE ARG 1 -3.635 7.599 10.085
12 HH11 ARG 1 1HH1 ARG 1 -3.719 4.636 12.016
13 HH12 ARG 1 2HH1 ARG 1 -4.058 5.421 13.479
14 HH21 ARG 1 1HH2 ARG 1 -4.118 8.689 12.101
15 HH22 ARG 1 2HH2 ARG 1 -4.321 7.780 13.518
16 H CYS 2 H CYS 2 0.465 5.642 4.579
17 HA CYS 2 HA CYS 2 0.736 2.781 4.172
18 HB2 CYS 2 2HB CYS 2 1.580 5.099 2.421
19 HB3 CYS 2 1HB CYS 2 1.555 3.397 1.967
20 H VAL 3 H VAL 3 2.586 1.800 4.704
21 HA VAL 3 HA VAL 3 4.806 3.442 5.692
22 HB VAL 3 HB VAL 3 3.874 0.657 6.472
23 HG11 VAL 3 1HG1 VAL 3 6.331 0.857 6.568
24 HG12 VAL 3 2HG1 VAL 3 5.601 0.640 8.153
25 HG13 VAL 3 3HG1 VAL 3 6.158 2.236 7.661
26 HG21 VAL 3 3HG2 VAL 3 2.443 2.395 7.368
27 HG22 VAL 3 1HG2 VAL 3 3.847 3.252 8.006
28 HG23 VAL 3 2HG2 VAL 3 3.408 1.682 8.659
29 H CYS 4 H CYS 4 6.621 3.256 4.466
30 HA CYS 4 HA CYS 4 6.829 0.889 2.755
31 HB2 CYS 4 2HB CYS 4 8.123 3.558 2.297
32 HB3 CYS 4 1HB CYS 4 8.132 2.181 1.217
33 H ARG 5 H ARG 5 8.411 -0.339 2.957
34 HA ARG 5 HA ARG 5 10.790 0.498 4.460
35 HB2 ARG 5 2HB ARG 5 9.357 -2.161 4.736
36 HB3 ARG 5 1HB ARG 5 10.897 -1.763 5.475
37 HG2 ARG 5 2HG ARG 5 9.811 -0.041 6.826
38 HG3 ARG 5 1HG ARG 5 8.269 -0.420 6.061
39 HD2 ARG 5 2HD ARG 5 8.413 -2.712 6.932
40 HD3 ARG 5 1HD ARG 5 9.935 -2.308 7.723
41 HE ARG 5 HE ARG 5 8.249 -0.449 8.680
42 HH11 ARG 5 1HH1 ARG 5 8.076 -3.997 8.566
43 HH12 ARG 5 2HH1 ARG 5 7.113 -4.134 9.954
44 HH21 ARG 5 1HH2 ARG 5 6.968 -0.645 10.602
45 HH22 ARG 5 2HH2 ARG 5 6.481 -2.176 11.155
46 H ARG 6 H ARG 6 12.240 0.563 2.913
47 HA ARG 6 HA ARG 6 13.679 -0.015 1.275
48 HB2 ARG 6 2HB ARG 6 14.053 -1.932 2.909
49 HB3 ARG 6 1HB ARG 6 12.968 -2.891 1.919
50 HG2 ARG 6 2HG ARG 6 14.509 -2.633 0.015
51 HG3 ARG 6 1HG ARG 6 15.607 -1.718 1.042
52 HD2 ARG 6 2HD ARG 6 15.733 -3.692 2.556
53 HD3 ARG 6 1HD ARG 6 14.767 -4.580 1.379
54 HE ARG 6 HE ARG 6 17.053 -3.405 0.189
55 HH11 ARG 6 1HH1 ARG 6 15.990 -6.170 2.100
56 HH12 ARG 6 2HH1 ARG 6 17.299 -7.168 1.672
57 HH21 ARG 6 1HH2 ARG 6 18.881 -4.795 -0.427
58 HH22 ARG 6 2HH2 ARG 6 18.951 -6.377 0.211
59 H GLY 7 H GLY 7 11.105 0.614 0.455
60 HA2 GLY 7 2HA GLY 7 10.358 0.778 -1.754
61 HA3 GLY 7 1HA GLY 7 11.119 -0.776 -2.051
62 H VAL 8 H VAL 8 9.766 -1.745 0.527
63 HA VAL 8 HA VAL 8 7.357 -2.618 -0.823
64 HB VAL 8 HB VAL 8 8.439 -3.418 1.899
65 HG11 VAL 8 1HG1 VAL 8 6.295 -4.699 0.200
66 HG12 VAL 8 2HG1 VAL 8 6.034 -3.805 1.697
67 HG13 VAL 8 3HG1 VAL 8 6.918 -5.332 1.723
68 HG21 VAL 8 3HG2 VAL 8 8.654 -4.835 -0.755
69 HG22 VAL 8 1HG2 VAL 8 9.194 -5.468 0.800
70 HG23 VAL 8 2HG2 VAL 8 9.967 -4.037 0.116
71 H CYS 9 H CYS 9 5.774 -1.196 -0.751
72 HA CYS 9 HA CYS 9 5.278 0.265 1.719
73 HB2 CYS 9 2HB CYS 9 4.079 0.596 -1.041
74 HB3 CYS 9 1HB CYS 9 3.699 1.597 0.360
75 H ARG 10 H ARG 10 3.846 -0.334 3.066
76 HA ARG 10 HA ARG 10 1.763 -2.210 2.226
77 HB2 ARG 10 2HB ARG 10 3.606 -3.210 3.610
78 HB3 ARG 10 1HB ARG 10 3.227 -2.063 4.879
79 HG2 ARG 10 2HG ARG 10 1.080 -3.053 5.202
80 HG3 ARG 10 1HG ARG 10 1.316 -4.135 3.822
81 HD2 ARG 10 2HD ARG 10 3.281 -5.097 4.983
82 HD3 ARG 10 1HD ARG 10 2.922 -4.076 6.373
83 HE ARG 10 HE ARG 10 0.661 -5.297 6.228
84 HH11 ARG 10 1HH1 ARG 10 3.837 -6.768 5.578
85 HH12 ARG 10 2HH1 ARG 10 3.438 -8.293 6.195
86 HH21 ARG 10 1HH2 ARG 10 0.090 -7.445 7.057
87 HH22 ARG 10 2HH2 ARG 10 1.230 -8.703 7.023
88 H CYS 11 H CYS 11 -0.243 -1.409 2.651
89 HA CYS 11 HA CYS 11 -0.508 0.785 4.551
90 HB2 CYS 11 2HB CYS 11 0.134 1.653 2.291
91 HB3 CYS 11 1HB CYS 11 -1.368 0.943 1.695
92 H VAL 12 H VAL 12 -2.436 0.758 5.421
93 HA VAL 12 HA VAL 12 -4.252 -1.341 4.699
94 HB VAL 12 HB VAL 12 -3.919 -0.984 7.091
95 HG11 VAL 12 1HG1 VAL 12 -4.681 0.989 8.295
96 HG12 VAL 12 2HG1 VAL 12 -5.112 1.758 6.771
97 HG13 VAL 12 3HG1 VAL 12 -3.424 1.408 7.127
98 HG21 VAL 12 3HG2 VAL 12 -6.716 -0.236 6.266
99 HG22 VAL 12 1HG2 VAL 12 -6.253 -0.830 7.858
100 HG23 VAL 12 2HG2 VAL 12 -6.069 -1.866 6.443
101 H CYS 13 H CYS 13 -5.137 -0.945 2.830
102 HA CYS 13 HA CYS 13 -6.454 1.603 2.379
103 HB2 CYS 13 2HB CYS 13 -6.406 0.819 0.036
104 HB3 CYS 13 1HB CYS 13 -4.822 1.135 0.735
105 H ARG 14 H ARG 14 -8.348 1.125 0.634
106 HA ARG 14 HA ARG 14 -10.049 -0.918 1.897
107 HB2 ARG 14 2HB ARG 14 -10.980 1.535 0.389
108 HB3 ARG 14 1HB ARG 14 -11.939 0.474 1.406
109 HG2 ARG 14 2HG ARG 14 -9.824 2.403 2.364
110 HG3 ARG 14 1HG ARG 14 -11.568 2.639 2.458
111 HD2 ARG 14 2HD ARG 14 -11.754 0.742 3.968
112 HD3 ARG 14 1HD ARG 14 -10.022 0.434 3.797
113 HE ARG 14 HE ARG 14 -10.674 3.069 4.712
114 HH11 ARG 14 1HH1 ARG 14 -9.957 -0.234 5.750
115 HH12 ARG 14 2HH1 ARG 14 -9.435 0.218 7.309
116 HH21 ARG 14 1HH2 ARG 14 -9.945 3.693 6.850
117 HH22 ARG 14 2HH2 ARG 14 -9.414 2.524 7.945
118 H ARG 15 H ARG 15 -11.364 -2.058 0.298
119 HA ARG 15 HA ARG 15 -9.970 -2.340 -2.177
120 HB2 ARG 15 2HB ARG 15 -10.857 -4.308 -0.816
121 HB3 ARG 15 1HB ARG 15 -12.466 -3.835 -1.345
122 HG2 ARG 15 2HG ARG 15 -11.824 -4.125 -3.662
123 HG3 ARG 15 1HG ARG 15 -10.189 -4.552 -3.163
124 HD2 ARG 15 2HD ARG 15 -11.151 -6.496 -1.929
125 HD3 ARG 15 1HD ARG 15 -12.720 -6.087 -2.629
126 HE ARG 15 HE ARG 15 -10.810 -6.222 -4.648
127 HH11 ARG 15 1HH1 ARG 15 -12.562 -8.416 -2.499
128 HH12 ARG 15 2HH1 ARG 15 -12.434 -9.756 -3.547
129 HH21 ARG 15 1HH2 ARG 15 -10.681 -8.006 -6.074
130 HH22 ARG 15 2HH2 ARG 15 -11.343 -9.510 -5.641
131 H GLY 16 H GLY 16 -10.482 -0.284 -2.485
132 HA2 GLY 16 2HA GLY 16 -12.203 0.221 -4.649
133 HA3 GLY 16 1HA GLY 16 -12.953 0.873 -3.188
134 H VAL 17 H VAL 17 -10.286 1.390 -1.928
135 HA VAL 17 HA VAL 17 -9.130 3.325 -3.674
136 HB VAL 17 HB VAL 17 -10.646 4.758 -2.448
137 HG11 VAL 17 1HG1 VAL 17 -10.724 4.890 -0.002
138 HG12 VAL 17 2HG1 VAL 17 -9.662 3.482 0.094
139 HG13 VAL 17 3HG1 VAL 17 -11.272 3.335 -0.621
140 HG21 VAL 17 3HG2 VAL 17 -9.109 6.189 -1.131
141 HG22 VAL 17 1HG2 VAL 17 -8.446 5.715 -2.700
142 HG23 VAL 17 2HG2 VAL 17 -7.909 4.910 -1.236
143 H CYS 18 H CYS 18 -7.449 2.001 -3.901
144 HA CYS 18 HA CYS 18 -5.620 1.845 -1.657
145 HB2 CYS 18 2HB CYS 18 -6.950 -0.336 -1.810
146 HB3 CYS 18 1HB CYS 18 -6.269 -0.550 -3.411
Start of MODEL 14
1 H1 ARG 1 1HT ARG 1 -3.299 3.110 5.885
2 H2 ARG 1 2HT ARG 1 -3.639 4.142 4.583
3 H3 ARG 1 3HT ARG 1 -4.043 4.616 6.153
4 HA ARG 1 HA ARG 1 -2.068 5.701 5.261
5 HB2 ARG 1 2HB ARG 1 -2.350 5.186 7.760
6 HB3 ARG 1 1HB ARG 1 -1.369 3.756 7.504
7 HG2 ARG 1 2HG ARG 1 0.492 5.209 6.771
8 HG3 ARG 1 1HG ARG 1 -0.505 6.614 7.129
9 HD2 ARG 1 2HD ARG 1 1.024 6.180 8.959
10 HD3 ARG 1 1HD ARG 1 -0.636 5.890 9.476
11 HE ARG 1 HE ARG 1 -0.212 3.524 9.260
12 HH11 ARG 1 1HH1 ARG 1 2.703 5.558 9.323
13 HH12 ARG 1 2HH1 ARG 1 3.686 4.308 9.929
14 HH21 ARG 1 1HH2 ARG 1 1.146 1.877 10.099
15 HH22 ARG 1 2HH2 ARG 1 2.801 2.190 10.388
16 H CYS 2 H CYS 2 0.337 5.259 4.848
17 HA CYS 2 HA CYS 2 0.674 2.641 3.615
18 HB2 CYS 2 2HB CYS 2 0.295 4.413 1.922
19 HB3 CYS 2 1HB CYS 2 1.660 5.305 2.590
20 H VAL 3 H VAL 3 2.734 1.752 3.802
21 HA VAL 3 HA VAL 3 4.625 3.301 5.351
22 HB VAL 3 HB VAL 3 3.379 2.048 7.028
23 HG11 VAL 3 1HG1 VAL 3 4.095 -0.420 5.476
24 HG12 VAL 3 2HG1 VAL 3 2.488 0.268 5.696
25 HG13 VAL 3 3HG1 VAL 3 3.358 -0.406 7.079
26 HG21 VAL 3 3HG2 VAL 3 6.119 0.849 6.584
27 HG22 VAL 3 1HG2 VAL 3 5.210 0.787 8.093
28 HG23 VAL 3 2HG2 VAL 3 5.757 2.338 7.454
29 H CYS 4 H CYS 4 6.654 2.999 4.762
30 HA CYS 4 HA CYS 4 7.223 0.872 2.833
31 HB2 CYS 4 2HB CYS 4 8.768 3.405 3.315
32 HB3 CYS 4 1HB CYS 4 9.061 2.225 2.060
33 H ARG 5 H ARG 5 8.542 -0.560 3.363
34 HA ARG 5 HA ARG 5 10.336 -0.235 5.660
35 HB2 ARG 5 2HB ARG 5 8.116 -1.294 6.344
36 HB3 ARG 5 1HB ARG 5 8.555 -2.659 5.328
37 HG2 ARG 5 2HG ARG 5 9.118 -3.248 7.543
38 HG3 ARG 5 1HG ARG 5 10.628 -2.877 6.705
39 HD2 ARG 5 2HD ARG 5 10.684 -1.868 8.901
40 HD3 ARG 5 1HD ARG 5 10.572 -0.602 7.685
41 HE ARG 5 HE ARG 5 8.022 -1.438 8.702
42 HH11 ARG 5 1HH1 ARG 5 10.688 0.822 9.236
43 HH12 ARG 5 2HH1 ARG 5 9.805 1.845 10.264
44 HH21 ARG 5 1HH2 ARG 5 6.816 -0.032 10.086
45 HH22 ARG 5 2HH2 ARG 5 7.544 1.365 10.761
46 H ARG 6 H ARG 6 12.266 -0.631 4.789
47 HA ARG 6 HA ARG 6 13.957 -1.429 3.551
48 HB2 ARG 6 2HB ARG 6 13.532 -3.459 4.940
49 HB3 ARG 6 1HB ARG 6 12.428 -4.057 3.706
50 HG2 ARG 6 2HG ARG 6 14.304 -4.178 2.124
51 HG3 ARG 6 1HG ARG 6 15.388 -3.608 3.387
52 HD2 ARG 6 2HD ARG 6 15.047 -5.560 4.673
53 HD3 ARG 6 1HD ARG 6 13.711 -6.083 3.646
54 HE ARG 6 HE ARG 6 15.746 -5.911 1.919
55 HH11 ARG 6 1HH1 ARG 6 15.618 -7.511 5.067
56 HH12 ARG 6 2HH1 ARG 6 16.530 -8.860 4.572
57 HH21 ARG 6 1HH2 ARG 6 17.007 -7.747 1.251
58 HH22 ARG 6 2HH2 ARG 6 17.347 -9.001 2.350
59 H GLY 7 H GLY 7 12.000 -0.113 2.161
60 HA2 GLY 7 2HA GLY 7 12.021 0.484 -0.080
61 HA3 GLY 7 1HA GLY 7 12.533 -1.156 -0.451
62 H VAL 8 H VAL 8 10.233 -1.991 1.475
63 HA VAL 8 HA VAL 8 8.329 -2.235 -0.687
64 HB VAL 8 HB VAL 8 8.340 -3.495 2.059
65 HG11 VAL 8 1HG1 VAL 8 6.574 -4.043 -0.332
66 HG12 VAL 8 2HG1 VAL 8 6.070 -3.352 1.207
67 HG13 VAL 8 3HG1 VAL 8 6.626 -5.024 1.135
68 HG21 VAL 8 3HG2 VAL 8 9.094 -4.598 -0.639
69 HG22 VAL 8 1HG2 VAL 8 9.003 -5.546 0.845
70 HG23 VAL 8 2HG2 VAL 8 10.193 -4.252 0.692
71 H CYS 9 H CYS 9 7.121 -0.549 -0.932
72 HA CYS 9 HA CYS 9 5.917 0.789 1.353
73 HB2 CYS 9 2HB CYS 9 5.874 1.468 -1.590
74 HB3 CYS 9 1HB CYS 9 5.105 2.410 -0.312
75 H ARG 10 H ARG 10 4.249 -0.141 2.100
76 HA ARG 10 HA ARG 10 2.353 -1.327 0.237
77 HB2 ARG 10 2HB ARG 10 3.294 -2.929 1.855
78 HB3 ARG 10 1HB ARG 10 2.785 -1.897 3.181
79 HG2 ARG 10 2HG ARG 10 1.284 -3.792 2.909
80 HG3 ARG 10 1HG ARG 10 0.447 -2.274 2.600
81 HD2 ARG 10 2HD ARG 10 -0.201 -3.935 0.950
82 HD3 ARG 10 1HD ARG 10 0.711 -2.638 0.187
83 HE ARG 10 HE ARG 10 2.340 -4.859 0.951
84 HH11 ARG 10 1HH1 ARG 10 0.218 -3.621 -1.622
85 HH12 ARG 10 2HH1 ARG 10 0.858 -4.666 -2.813
86 HH21 ARG 10 1HH2 ARG 10 3.229 -6.253 -0.770
87 HH22 ARG 10 2HH2 ARG 10 2.565 -6.142 -2.335
88 H CYS 11 H CYS 11 1.026 0.296 -0.235
89 HA CYS 11 HA CYS 11 -0.058 1.900 1.936
90 HB2 CYS 11 2HB CYS 11 -0.603 2.089 -1.011
91 HB3 CYS 11 1HB CYS 11 -0.943 3.298 0.210
92 H VAL 12 H VAL 12 -1.761 1.044 2.852
93 HA VAL 12 HA VAL 12 -3.225 -1.043 1.502
94 HB VAL 12 HB VAL 12 -2.640 -1.269 3.911
95 HG11 VAL 12 1HG1 VAL 12 -3.872 -0.019 5.614
96 HG12 VAL 12 2HG1 VAL 12 -4.560 0.991 4.343
97 HG13 VAL 12 3HG1 VAL 12 -2.822 1.007 4.637
98 HG21 VAL 12 3HG2 VAL 12 -5.606 -1.200 3.395
99 HG22 VAL 12 1HG2 VAL 12 -4.821 -2.057 4.717
100 HG23 VAL 12 2HG2 VAL 12 -4.522 -2.546 3.046
101 H CYS 13 H CYS 13 -5.306 -0.923 0.813
102 HA CYS 13 HA CYS 13 -6.320 1.729 0.318
103 HB2 CYS 13 2HB CYS 13 -7.252 -0.978 -0.601
104 HB3 CYS 13 1HB CYS 13 -7.784 0.565 -1.218
105 H ARG 14 H ARG 14 -8.731 1.988 0.573
106 HA ARG 14 HA ARG 14 -9.506 0.868 3.137
107 HB2 ARG 14 2HB ARG 14 -10.682 3.167 1.559
108 HB3 ARG 14 1HB ARG 14 -11.276 2.594 3.110
109 HG2 ARG 14 2HG ARG 14 -9.104 3.172 4.134
110 HG3 ARG 14 1HG ARG 14 -8.574 3.801 2.576
111 HD2 ARG 14 2HD ARG 14 -9.342 5.610 4.013
112 HD3 ARG 14 1HD ARG 14 -10.388 5.427 2.607
113 HE ARG 14 HE ARG 14 -11.570 3.924 4.543
114 HH11 ARG 14 1HH1 ARG 14 -10.624 7.320 4.263
115 HH12 ARG 14 2HH1 ARG 14 -11.826 7.915 5.295
116 HH21 ARG 14 1HH2 ARG 14 -13.284 4.730 5.951
117 HH22 ARG 14 2HH2 ARG 14 -13.433 6.409 6.231
118 H ARG 15 H ARG 15 -10.106 -1.087 2.611
119 HA ARG 15 HA ARG 15 -11.097 -2.830 1.687
120 HB2 ARG 15 2HB ARG 15 -12.532 -2.041 3.417
121 HB3 ARG 15 1HB ARG 15 -13.294 -0.934 2.294
122 HG2 ARG 15 2HG ARG 15 -14.250 -2.912 1.108
123 HG3 ARG 15 1HG ARG 15 -13.426 -3.966 2.256
124 HD2 ARG 15 2HD ARG 15 -15.543 -1.937 2.936
125 HD3 ARG 15 1HD ARG 15 -15.772 -3.682 2.817
126 HE ARG 15 HE ARG 15 -13.774 -3.408 4.637
127 HH11 ARG 15 1HH1 ARG 15 -17.091 -2.151 4.425
128 HH12 ARG 15 2HH1 ARG 15 -17.320 -2.084 6.096
129 HH21 ARG 15 1HH2 ARG 15 -14.115 -3.293 6.977
130 HH22 ARG 15 2HH2 ARG 15 -15.611 -2.722 7.566
131 H GLY 16 H GLY 16 -9.986 -1.908 -0.343
132 HA2 GLY 16 2HA GLY 16 -10.155 -2.419 -2.640
133 HA3 GLY 16 1HA GLY 16 -11.898 -2.356 -2.482
134 H VAL 17 H VAL 17 -10.994 0.435 -1.022
135 HA VAL 17 HA VAL 17 -11.179 1.850 -3.545
136 HB VAL 17 HB VAL 17 -12.295 2.714 -0.861
137 HG11 VAL 17 1HG1 VAL 17 -12.578 3.948 -3.598
138 HG12 VAL 17 2HG1 VAL 17 -11.617 4.586 -2.268
139 HG13 VAL 17 3HG1 VAL 17 -13.373 4.515 -2.130
140 HG21 VAL 17 3HG2 VAL 17 -13.733 1.690 -3.309
141 HG22 VAL 17 1HG2 VAL 17 -14.513 2.338 -1.865
142 HG23 VAL 17 2HG2 VAL 17 -13.574 0.844 -1.772
143 H CYS 18 H CYS 18 -9.174 2.284 -3.840
144 HA CYS 18 HA CYS 18 -8.057 4.422 -2.220
145 HB2 CYS 18 2HB CYS 18 -5.763 3.435 -2.464
146 HB3 CYS 18 1HB CYS 18 -6.844 2.510 -1.435
Start of MODEL 15
1 H1 ARG 1 1HT ARG 1 -2.517 5.147 5.917
2 H2 ARG 1 2HT ARG 1 -2.406 6.056 7.319
3 H3 ARG 1 3HT ARG 1 -1.930 4.430 7.316
4 HA ARG 1 HA ARG 1 -0.650 6.576 5.732
5 HB2 ARG 1 2HB ARG 1 1.301 6.302 7.188
6 HB3 ARG 1 1HB ARG 1 -0.096 6.711 8.171
7 HG2 ARG 1 2HG ARG 1 -0.294 4.464 8.939
8 HG3 ARG 1 1HG ARG 1 0.932 3.900 7.799
9 HD2 ARG 1 2HD ARG 1 1.895 4.060 10.005
10 HD3 ARG 1 1HD ARG 1 2.579 5.310 8.982
11 HE ARG 1 HE ARG 1 0.767 6.762 10.096
12 HH11 ARG 1 1HH1 ARG 1 2.488 4.144 11.770
13 HH12 ARG 1 2HH1 ARG 1 2.468 4.954 13.280
14 HH21 ARG 1 1HH2 ARG 1 0.768 7.813 12.149
15 HH22 ARG 1 2HH2 ARG 1 1.480 7.053 13.502
16 H CYS 2 H CYS 2 1.549 5.683 4.988
17 HA CYS 2 HA CYS 2 1.136 2.975 3.979
18 HB2 CYS 2 2HB CYS 2 2.921 5.188 2.927
19 HB3 CYS 2 1HB CYS 2 2.724 3.596 2.200
20 H VAL 3 H VAL 3 2.493 1.406 4.568
21 HA VAL 3 HA VAL 3 4.562 2.197 6.466
22 HB VAL 3 HB VAL 3 3.390 -0.549 5.914
23 HG11 VAL 3 1HG1 VAL 3 5.645 -0.647 6.827
24 HG12 VAL 3 2HG1 VAL 3 4.471 -1.198 8.021
25 HG13 VAL 3 3HG1 VAL 3 5.170 0.417 8.152
26 HG21 VAL 3 3HG2 VAL 3 2.179 -0.292 8.032
27 HG22 VAL 3 1HG2 VAL 3 1.692 0.933 6.861
28 HG23 VAL 3 2HG2 VAL 3 2.784 1.357 8.177
29 H CYS 4 H CYS 4 6.399 2.509 5.462
30 HA CYS 4 HA CYS 4 7.042 0.922 3.117
31 HB2 CYS 4 2HB CYS 4 8.571 3.198 4.323
32 HB3 CYS 4 1HB CYS 4 8.810 2.489 2.740
33 H ARG 5 H ARG 5 8.305 -0.576 3.097
34 HA ARG 5 HA ARG 5 10.200 -1.008 5.256
35 HB2 ARG 5 2HB ARG 5 9.479 -3.353 5.552
36 HB3 ARG 5 1HB ARG 5 8.201 -2.231 5.973
37 HG2 ARG 5 2HG ARG 5 7.121 -2.664 3.801
38 HG3 ARG 5 1HG ARG 5 8.399 -3.810 3.406
39 HD2 ARG 5 2HD ARG 5 6.546 -5.077 4.197
40 HD3 ARG 5 1HD ARG 5 7.757 -5.082 5.472
41 HE ARG 5 HE ARG 5 5.395 -3.330 5.460
42 HH11 ARG 5 1HH1 ARG 5 7.647 -5.415 7.262
43 HH12 ARG 5 2HH1 ARG 5 6.804 -5.249 8.732
44 HH21 ARG 5 1HH2 ARG 5 4.254 -3.169 7.497
45 HH22 ARG 5 2HH2 ARG 5 4.887 -3.970 8.875
46 H ARG 6 H ARG 6 12.045 -1.199 4.302
47 HA ARG 6 HA ARG 6 13.682 -1.590 2.840
48 HB2 ARG 6 2HB ARG 6 13.303 -3.840 3.806
49 HB3 ARG 6 1HB ARG 6 12.191 -4.205 2.506
50 HG2 ARG 6 2HG ARG 6 14.414 -5.257 2.258
51 HG3 ARG 6 1HG ARG 6 13.966 -4.228 0.898
52 HD2 ARG 6 2HD ARG 6 16.329 -3.998 1.611
53 HD3 ARG 6 1HD ARG 6 15.427 -2.487 1.668
54 HE ARG 6 HE ARG 6 15.197 -3.182 4.168
55 HH11 ARG 6 1HH1 ARG 6 18.095 -3.685 2.180
56 HH12 ARG 6 2HH1 ARG 6 19.179 -3.386 3.456
57 HH21 ARG 6 1HH2 ARG 6 16.685 -2.730 5.884
58 HH22 ARG 6 2HH2 ARG 6 18.358 -2.819 5.611
59 H GLY 7 H GLY 7 11.904 0.066 1.724
60 HA2 GLY 7 2HA GLY 7 12.051 1.045 -0.371
61 HA3 GLY 7 1HA GLY 7 12.416 -0.546 -1.022
62 H VAL 8 H VAL 8 9.842 -1.390 0.647
63 HA VAL 8 HA VAL 8 8.092 -0.496 -1.518
64 HB VAL 8 HB VAL 8 8.488 -2.955 -1.486
65 HG11 VAL 8 1HG1 VAL 8 7.424 -4.372 0.202
66 HG12 VAL 8 2HG1 VAL 8 7.059 -2.932 1.149
67 HG13 VAL 8 3HG1 VAL 8 8.735 -3.388 0.848
68 HG21 VAL 8 3HG2 VAL 8 6.465 -2.122 -2.506
69 HG22 VAL 8 1HG2 VAL 8 5.645 -2.143 -0.944
70 HG23 VAL 8 2HG2 VAL 8 6.142 -3.658 -1.696
71 H CYS 9 H CYS 9 6.370 0.685 -1.089
72 HA CYS 9 HA CYS 9 5.702 1.070 1.729
73 HB2 CYS 9 2HB CYS 9 5.149 2.837 -0.652
74 HB3 CYS 9 1HB CYS 9 4.618 3.171 0.992
75 H ARG 10 H ARG 10 4.131 -0.032 2.494
76 HA ARG 10 HA ARG 10 2.064 -0.929 0.660
77 HB2 ARG 10 2HB ARG 10 3.228 -2.613 2.104
78 HB3 ARG 10 1HB ARG 10 2.621 -1.774 3.521
79 HG2 ARG 10 2HG ARG 10 1.255 -3.716 3.089
80 HG3 ARG 10 1HG ARG 10 0.301 -2.264 2.777
81 HD2 ARG 10 2HD ARG 10 0.754 -2.506 0.370
82 HD3 ARG 10 1HD ARG 10 1.691 -3.960 0.698
83 HE ARG 10 HE ARG 10 -1.095 -3.899 1.554
84 HH11 ARG 10 1HH1 ARG 10 1.334 -5.127 -0.739
85 HH12 ARG 10 2HH1 ARG 10 0.305 -6.288 -1.421
86 HH21 ARG 10 1HH2 ARG 10 -2.515 -5.518 0.590
87 HH22 ARG 10 2HH2 ARG 10 -1.930 -6.522 -0.650
88 H CYS 11 H CYS 11 0.528 0.527 0.507
89 HA CYS 11 HA CYS 11 -0.181 2.157 2.794
90 HB2 CYS 11 2HB CYS 11 -1.248 2.144 -0.029
91 HB3 CYS 11 1HB CYS 11 -1.582 3.352 1.205
92 H VAL 12 H VAL 12 -1.952 1.862 3.983
93 HA VAL 12 HA VAL 12 -3.367 -0.578 3.602
94 HB VAL 12 HB VAL 12 -3.979 1.697 5.530
95 HG11 VAL 12 1HG1 VAL 12 -4.943 -1.171 5.524
96 HG12 VAL 12 2HG1 VAL 12 -5.915 0.243 5.127
97 HG13 VAL 12 3HG1 VAL 12 -5.295 0.035 6.764
98 HG21 VAL 12 3HG2 VAL 12 -2.457 -0.876 5.962
99 HG22 VAL 12 1HG2 VAL 12 -2.882 0.287 7.218
100 HG23 VAL 12 2HG2 VAL 12 -1.772 0.748 5.928
101 H CYS 13 H CYS 13 -4.358 -0.575 1.808
102 HA CYS 13 HA CYS 13 -5.749 1.545 0.617
103 HB2 CYS 13 2HB CYS 13 -6.599 -0.270 -0.833
104 HB3 CYS 13 1HB CYS 13 -4.853 -0.150 -0.737
105 H ARG 14 H ARG 14 -8.087 1.166 -0.042
106 HA ARG 14 HA ARG 14 -9.573 0.578 2.448
107 HB2 ARG 14 2HB ARG 14 -10.361 2.600 0.342
108 HB3 ARG 14 1HB ARG 14 -11.084 2.372 1.922
109 HG2 ARG 14 2HG ARG 14 -8.334 3.467 1.343
110 HG3 ARG 14 1HG ARG 14 -9.729 4.378 1.905
111 HD2 ARG 14 2HD ARG 14 -9.695 3.134 4.021
112 HD3 ARG 14 1HD ARG 14 -8.330 2.179 3.432
113 HE ARG 14 HE ARG 14 -7.866 4.986 3.341
114 HH11 ARG 14 1HH1 ARG 14 -7.657 2.152 5.470
115 HH12 ARG 14 2HH1 ARG 14 -6.471 2.857 6.475
116 HH21 ARG 14 1HH2 ARG 14 -6.256 5.918 4.758
117 HH22 ARG 14 2HH2 ARG 14 -5.660 5.022 6.078
118 H ARG 15 H ARG 15 -11.877 0.062 1.973
119 HA ARG 15 HA ARG 15 -12.000 -2.047 0.053
120 HB2 ARG 15 2HB ARG 15 -12.904 -2.273 2.374
121 HB3 ARG 15 1HB ARG 15 -14.096 -1.040 1.993
122 HG2 ARG 15 2HG ARG 15 -15.074 -2.502 0.299
123 HG3 ARG 15 1HG ARG 15 -13.877 -3.739 0.673
124 HD2 ARG 15 2HD ARG 15 -15.891 -2.618 2.621
125 HD3 ARG 15 1HD ARG 15 -16.045 -4.152 1.770
126 HE ARG 15 HE ARG 15 -13.631 -4.264 3.050
127 HH11 ARG 15 1HH1 ARG 15 -16.984 -3.804 4.084
128 HH12 ARG 15 2HH1 ARG 15 -16.798 -4.587 5.568
129 HH21 ARG 15 1HH2 ARG 15 -13.369 -5.386 5.107
130 HH22 ARG 15 2HH2 ARG 15 -14.690 -5.527 6.163
131 H GLY 16 H GLY 16 -11.654 -0.352 -1.401
132 HA2 GLY 16 2HA GLY 16 -13.721 0.031 -3.229
133 HA3 GLY 16 1HA GLY 16 -13.628 1.512 -2.280
134 H VAL 17 H VAL 17 -10.673 1.042 -1.890
135 HA VAL 17 HA VAL 17 -9.689 1.335 -4.545
136 HB VAL 17 HB VAL 17 -10.124 3.661 -4.019
137 HG11 VAL 17 1HG1 VAL 17 -10.316 3.596 -1.627
138 HG12 VAL 17 2HG1 VAL 17 -9.135 4.824 -2.088
139 HG13 VAL 17 3HG1 VAL 17 -8.591 3.269 -1.463
140 HG21 VAL 17 3HG2 VAL 17 -7.180 3.083 -3.688
141 HG22 VAL 17 1HG2 VAL 17 -7.868 4.640 -4.138
142 HG23 VAL 17 2HG2 VAL 17 -8.046 3.257 -5.215
143 H CYS 18 H CYS 18 -8.834 -0.611 -4.235
144 HA CYS 18 HA CYS 18 -6.288 -0.646 -2.913
145 HB2 CYS 18 2HB CYS 18 -8.030 -1.614 -1.259
146 HB3 CYS 18 1HB CYS 18 -8.304 -2.858 -2.468
Start of MODEL 16
1 H1 ARG 1 1HT ARG 1 -2.728 4.590 5.919
2 H2 ARG 1 2HT ARG 1 -3.097 5.047 4.363
3 H3 ARG 1 3HT ARG 1 -3.283 6.169 5.602
4 HA ARG 1 HA ARG 1 -1.283 6.615 4.327
5 HB2 ARG 1 2HB ARG 1 -0.555 5.241 6.920
6 HB3 ARG 1 1HB ARG 1 0.437 6.409 6.069
7 HG2 ARG 1 2HG ARG 1 -1.275 8.133 6.497
8 HG3 ARG 1 1HG ARG 1 -2.214 6.945 7.409
9 HD2 ARG 1 2HD ARG 1 -0.944 8.290 8.946
10 HD3 ARG 1 1HD ARG 1 -0.268 6.659 8.930
11 HE ARG 1 HE ARG 1 0.943 8.669 7.205
12 HH11 ARG 1 1HH1 ARG 1 1.226 6.762 10.193
13 HH12 ARG 1 2HH1 ARG 1 2.857 7.155 10.440
14 HH21 ARG 1 1HH2 ARG 1 3.171 9.171 7.552
15 HH22 ARG 1 2HH2 ARG 1 4.003 8.564 8.903
16 H CYS 2 H CYS 2 1.003 5.727 3.908
17 HA CYS 2 HA CYS 2 0.762 2.928 3.137
18 HB2 CYS 2 2HB CYS 2 2.493 5.101 1.945
19 HB3 CYS 2 1HB CYS 2 2.382 3.439 1.381
20 H VAL 3 H VAL 3 2.239 1.534 3.883
21 HA VAL 3 HA VAL 3 4.172 2.626 5.785
22 HB VAL 3 HB VAL 3 3.083 -0.203 5.555
23 HG11 VAL 3 1HG1 VAL 3 4.118 -0.568 7.750
24 HG12 VAL 3 2HG1 VAL 3 4.761 1.071 7.716
25 HG13 VAL 3 3HG1 VAL 3 5.319 -0.112 6.539
26 HG21 VAL 3 3HG2 VAL 3 1.792 0.280 7.576
27 HG22 VAL 3 1HG2 VAL 3 1.335 1.358 6.257
28 HG23 VAL 3 2HG2 VAL 3 2.376 1.944 7.560
29 H CYS 4 H CYS 4 6.279 2.395 5.301
30 HA CYS 4 HA CYS 4 6.910 0.640 3.056
31 HB2 CYS 4 2HB CYS 4 8.341 3.144 3.890
32 HB3 CYS 4 1HB CYS 4 8.709 2.153 2.495
33 H ARG 5 H ARG 5 8.434 -0.760 3.293
34 HA ARG 5 HA ARG 5 10.187 -0.693 5.600
35 HB2 ARG 5 2HB ARG 5 8.204 -1.918 6.384
36 HB3 ARG 5 1HB ARG 5 8.333 -3.010 5.013
37 HG2 ARG 5 2HG ARG 5 10.480 -3.816 5.850
38 HG3 ARG 5 1HG ARG 5 10.355 -2.721 7.226
39 HD2 ARG 5 2HD ARG 5 8.428 -4.939 6.560
40 HD3 ARG 5 1HD ARG 5 9.674 -5.001 7.809
41 HE ARG 5 HE ARG 5 8.192 -2.780 8.364
42 HH11 ARG 5 1HH1 ARG 5 7.558 -6.239 8.125
43 HH12 ARG 5 2HH1 ARG 5 6.255 -6.232 9.234
44 HH21 ARG 5 1HH2 ARG 5 6.410 -2.761 9.909
45 HH22 ARG 5 2HH2 ARG 5 5.594 -4.219 10.253
46 H ARG 6 H ARG 6 12.120 -1.296 4.996
47 HA ARG 6 HA ARG 6 13.883 -2.129 3.877
48 HB2 ARG 6 2HB ARG 6 12.701 -4.292 4.540
49 HB3 ARG 6 1HB ARG 6 12.026 -4.332 2.922
50 HG2 ARG 6 2HG ARG 6 13.910 -5.834 3.057
51 HG3 ARG 6 1HG ARG 6 14.327 -4.475 2.008
52 HD2 ARG 6 2HD ARG 6 15.524 -3.415 3.876
53 HD3 ARG 6 1HD ARG 6 15.052 -4.768 4.908
54 HE ARG 6 HE ARG 6 16.626 -5.278 2.523
55 HH11 ARG 6 1HH1 ARG 6 16.377 -5.230 6.052
56 HH12 ARG 6 2HH1 ARG 6 17.877 -5.988 6.326
57 HH21 ARG 6 1HH2 ARG 6 18.723 -6.352 2.904
58 HH22 ARG 6 2HH2 ARG 6 19.205 -6.671 4.504
59 H GLY 7 H GLY 7 12.155 -0.285 2.563
60 HA2 GLY 7 2HA GLY 7 12.665 0.885 0.592
61 HA3 GLY 7 1HA GLY 7 13.302 -0.621 -0.041
62 H VAL 8 H VAL 8 10.459 -1.648 1.109
63 HA VAL 8 HA VAL 8 9.111 -0.951 -1.389
64 HB VAL 8 HB VAL 8 9.705 -3.370 -1.251
65 HG11 VAL 8 1HG1 VAL 8 7.864 -3.476 1.122
66 HG12 VAL 8 2HG1 VAL 8 9.609 -3.764 1.106
67 HG13 VAL 8 3HG1 VAL 8 8.522 -4.874 0.273
68 HG21 VAL 8 3HG2 VAL 8 7.501 -4.304 -1.823
69 HG22 VAL 8 1HG2 VAL 8 7.791 -2.748 -2.595
70 HG23 VAL 8 2HG2 VAL 8 6.732 -2.845 -1.190
71 H CYS 9 H CYS 9 6.991 -0.288 -1.335
72 HA CYS 9 HA CYS 9 5.976 0.342 1.351
73 HB2 CYS 9 2HB CYS 9 5.530 1.829 -1.237
74 HB3 CYS 9 1HB CYS 9 4.819 2.250 0.310
75 H ARG 10 H ARG 10 3.826 0.086 1.825
76 HA ARG 10 HA ARG 10 2.120 -1.139 -0.216
77 HB2 ARG 10 2HB ARG 10 3.168 -2.868 1.342
78 HB3 ARG 10 1HB ARG 10 2.284 -2.099 2.649
79 HG2 ARG 10 2HG ARG 10 0.175 -2.567 1.408
80 HG3 ARG 10 1HG ARG 10 1.130 -3.501 0.251
81 HD2 ARG 10 2HD ARG 10 0.246 -5.038 1.826
82 HD3 ARG 10 1HD ARG 10 1.960 -4.861 2.193
83 HE ARG 10 HE ARG 10 -0.188 -3.473 3.631
84 HH11 ARG 10 1HH1 ARG 10 2.955 -5.133 3.721
85 HH12 ARG 10 2HH1 ARG 10 3.051 -5.107 5.422
86 HH21 ARG 10 1HH2 ARG 10 -0.037 -3.472 5.959
87 HH22 ARG 10 2HH2 ARG 10 1.317 -4.141 6.735
88 H CYS 11 H CYS 11 0.169 -0.091 -0.201
89 HA CYS 11 HA CYS 11 -0.315 1.732 2.002
90 HB2 CYS 11 2HB CYS 11 -1.540 1.631 -0.739
91 HB3 CYS 11 1HB CYS 11 -1.814 2.859 0.487
92 H VAL 12 H VAL 12 -1.772 1.244 3.407
93 HA VAL 12 HA VAL 12 -3.524 -0.987 3.015
94 HB VAL 12 HB VAL 12 -2.643 -0.434 5.300
95 HG11 VAL 12 1HG1 VAL 12 -3.553 1.442 6.588
96 HG12 VAL 12 2HG1 VAL 12 -4.363 2.034 5.139
97 HG13 VAL 12 3HG1 VAL 12 -2.606 1.974 5.201
98 HG21 VAL 12 3HG2 VAL 12 -4.670 -1.749 5.167
99 HG22 VAL 12 1HG2 VAL 12 -5.652 -0.280 5.095
100 HG23 VAL 12 2HG2 VAL 12 -4.747 -0.674 6.560
101 H CYS 13 H CYS 13 -5.647 -0.889 2.417
102 HA CYS 13 HA CYS 13 -6.518 1.786 1.639
103 HB2 CYS 13 2HB CYS 13 -5.629 0.487 -0.228
104 HB3 CYS 13 1HB CYS 13 -6.861 -0.755 0.026
105 H ARG 14 H ARG 14 -8.853 1.554 0.924
106 HA ARG 14 HA ARG 14 -10.344 0.407 3.201
107 HB2 ARG 14 2HB ARG 14 -10.376 2.912 2.866
108 HB3 ARG 14 1HB ARG 14 -11.144 2.635 1.313
109 HG2 ARG 14 2HG ARG 14 -12.843 3.246 2.860
110 HG3 ARG 14 1HG ARG 14 -13.023 1.521 2.538
111 HD2 ARG 14 2HD ARG 14 -11.793 1.019 4.598
112 HD3 ARG 14 1HD ARG 14 -11.651 2.751 4.917
113 HE ARG 14 HE ARG 14 -14.284 1.537 4.633
114 HH11 ARG 14 1HH1 ARG 14 -11.896 3.148 6.697
115 HH12 ARG 14 2HH1 ARG 14 -12.929 3.310 8.033
116 HH21 ARG 14 1HH2 ARG 14 -15.725 1.761 6.453
117 HH22 ARG 14 2HH2 ARG 14 -15.174 2.441 7.914
118 H ARG 15 H ARG 15 -10.904 -1.616 2.407
119 HA ARG 15 HA ARG 15 -11.769 -3.233 1.174
120 HB2 ARG 15 2HB ARG 15 -13.707 -2.112 1.934
121 HB3 ARG 15 1HB ARG 15 -13.524 -0.895 0.691
122 HG2 ARG 15 2HG ARG 15 -14.220 -2.626 -0.991
123 HG3 ARG 15 1HG ARG 15 -14.359 -3.797 0.323
124 HD2 ARG 15 2HD ARG 15 -16.116 -2.482 1.356
125 HD3 ARG 15 1HD ARG 15 -15.934 -1.236 0.131
126 HE ARG 15 HE ARG 15 -16.456 -3.511 -1.267
127 HH11 ARG 15 1HH1 ARG 15 -18.152 -1.766 1.308
128 HH12 ARG 15 2HH1 ARG 15 -19.705 -2.161 0.759
129 HH21 ARG 15 1HH2 ARG 15 -18.616 -4.085 -2.018
130 HH22 ARG 15 2HH2 ARG 15 -19.964 -3.505 -1.178
131 H GLY 16 H GLY 16 -9.661 -1.777 -0.018
132 HA2 GLY 16 2HA GLY 16 -8.415 -1.873 -1.958
133 HA3 GLY 16 1HA GLY 16 -9.680 -2.877 -2.633
134 H VAL 17 H VAL 17 -10.539 0.310 -1.469
135 HA VAL 17 HA VAL 17 -10.297 1.367 -4.130
136 HB VAL 17 HB VAL 17 -12.552 0.452 -4.154
137 HG11 VAL 17 1HG1 VAL 17 -13.112 2.075 -1.691
138 HG12 VAL 17 2HG1 VAL 17 -13.073 0.316 -1.819
139 HG13 VAL 17 3HG1 VAL 17 -14.332 1.232 -2.642
140 HG21 VAL 17 3HG2 VAL 17 -12.237 2.533 -5.350
141 HG22 VAL 17 1HG2 VAL 17 -12.628 3.458 -3.898
142 HG23 VAL 17 2HG2 VAL 17 -13.867 2.470 -4.674
143 H CYS 18 H CYS 18 -8.858 2.837 -3.637
144 HA CYS 18 HA CYS 18 -9.626 4.867 -1.680
145 HB2 CYS 18 2HB CYS 18 -6.846 3.802 -2.227
146 HB3 CYS 18 1HB CYS 18 -7.224 5.164 -1.171
Start of MODEL 17
1 H1 ARG 1 1HT ARG 1 -2.306 7.429 4.876
2 H2 ARG 1 2HT ARG 1 -2.368 5.783 4.407
3 H3 ARG 1 3HT ARG 1 -1.429 6.879 3.558
4 HA ARG 1 HA ARG 1 0.060 7.178 5.244
5 HB2 ARG 1 2HB ARG 1 -1.509 7.052 7.135
6 HB3 ARG 1 1HB ARG 1 -1.688 5.320 6.863
7 HG2 ARG 1 2HG ARG 1 0.625 4.949 7.471
8 HG3 ARG 1 1HG ARG 1 0.896 6.681 7.627
9 HD2 ARG 1 2HD ARG 1 0.635 5.650 9.793
10 HD3 ARG 1 1HD ARG 1 -0.699 6.760 9.491
11 HE ARG 1 HE ARG 1 -1.570 4.266 8.697
12 HH11 ARG 1 1HH1 ARG 1 -0.477 5.715 11.733
13 HH12 ARG 1 2HH1 ARG 1 -1.402 4.691 12.729
14 HH21 ARG 1 1HH2 ARG 1 -2.821 2.827 10.066
15 HH22 ARG 1 2HH2 ARG 1 -2.745 3.001 11.759
16 H CYS 2 H CYS 2 1.136 6.259 3.571
17 HA CYS 2 HA CYS 2 1.223 3.361 3.350
18 HB2 CYS 2 2HB CYS 2 2.593 5.529 1.733
19 HB3 CYS 2 1HB CYS 2 2.663 3.802 1.390
20 H VAL 3 H VAL 3 2.745 2.240 4.391
21 HA VAL 3 HA VAL 3 4.957 3.747 5.592
22 HB VAL 3 HB VAL 3 3.858 1.016 6.369
23 HG11 VAL 3 1HG1 VAL 3 5.239 1.244 8.387
24 HG12 VAL 3 2HG1 VAL 3 5.882 2.768 7.770
25 HG13 VAL 3 3HG1 VAL 3 6.216 1.258 6.918
26 HG21 VAL 3 3HG2 VAL 3 2.235 2.763 6.876
27 HG22 VAL 3 1HG2 VAL 3 3.467 3.689 7.734
28 HG23 VAL 3 2HG2 VAL 3 2.932 2.126 8.361
29 H CYS 4 H CYS 4 6.896 3.410 4.666
30 HA CYS 4 HA CYS 4 7.171 1.016 3.001
31 HB2 CYS 4 2HB CYS 4 8.703 3.570 2.814
32 HB3 CYS 4 1HB CYS 4 8.787 2.212 1.713
33 H ARG 5 H ARG 5 8.597 -0.332 3.487
34 HA ARG 5 HA ARG 5 10.954 0.411 4.995
35 HB2 ARG 5 2HB ARG 5 9.442 -0.270 6.766
36 HB3 ARG 5 1HB ARG 5 9.035 -1.744 5.900
37 HG2 ARG 5 2HG ARG 5 11.223 -2.636 6.231
38 HG3 ARG 5 1HG ARG 5 11.809 -1.109 6.882
39 HD2 ARG 5 2HD ARG 5 9.651 -2.798 8.134
40 HD3 ARG 5 1HD ARG 5 11.354 -2.823 8.606
41 HE ARG 5 HE ARG 5 10.123 -0.218 8.659
42 HH11 ARG 5 1HH1 ARG 5 10.894 -3.122 10.521
43 HH12 ARG 5 2HH1 ARG 5 10.779 -2.372 12.044
44 HH21 ARG 5 1HH2 ARG 5 9.954 0.832 10.733
45 HH22 ARG 5 2HH2 ARG 5 10.233 -0.044 12.172
46 H ARG 6 H ARG 6 12.568 -0.287 3.889
47 HA ARG 6 HA ARG 6 13.983 -1.532 2.680
48 HB2 ARG 6 2HB ARG 6 13.413 -3.105 4.593
49 HB3 ARG 6 1HB ARG 6 12.288 -3.889 3.506
50 HG2 ARG 6 2HG ARG 6 14.110 -4.555 2.057
51 HG3 ARG 6 1HG ARG 6 15.264 -3.689 3.077
52 HD2 ARG 6 2HD ARG 6 14.594 -5.098 4.982
53 HD3 ARG 6 1HD ARG 6 13.526 -5.996 3.909
54 HE ARG 6 HE ARG 6 15.797 -6.279 2.653
55 HH11 ARG 6 1HH1 ARG 6 15.166 -6.496 6.126
56 HH12 ARG 6 2HH1 ARG 6 16.327 -7.706 6.420
57 HH21 ARG 6 1HH2 ARG 6 17.386 -7.973 3.050
58 HH22 ARG 6 2HH2 ARG 6 17.602 -8.575 4.621
59 H GLY 7 H GLY 7 11.904 -0.304 1.337
60 HA2 GLY 7 2HA GLY 7 11.414 -0.202 -0.926
61 HA3 GLY 7 1HA GLY 7 11.850 -1.899 -1.036
62 H VAL 8 H VAL 8 9.922 -2.105 1.454
63 HA VAL 8 HA VAL 8 7.637 -2.755 -0.222
64 HB VAL 8 HB VAL 8 8.101 -3.349 2.718
65 HG11 VAL 8 1HG1 VAL 8 6.031 -4.436 0.801
66 HG12 VAL 8 2HG1 VAL 8 5.730 -3.330 2.143
67 HG13 VAL 8 3HG1 VAL 8 6.274 -4.979 2.463
68 HG21 VAL 8 3HG2 VAL 8 9.740 -4.476 1.314
69 HG22 VAL 8 1HG2 VAL 8 8.447 -5.137 0.313
70 HG23 VAL 8 2HG2 VAL 8 8.601 -5.635 1.999
71 H CYS 9 H CYS 9 6.506 -0.967 -0.597
72 HA CYS 9 HA CYS 9 5.759 0.773 1.614
73 HB2 CYS 9 2HB CYS 9 5.349 0.996 -1.373
74 HB3 CYS 9 1HB CYS 9 4.623 2.100 -0.210
75 H ARG 10 H ARG 10 4.091 0.135 2.781
76 HA ARG 10 HA ARG 10 1.996 -1.302 1.345
77 HB2 ARG 10 2HB ARG 10 2.923 -2.589 3.246
78 HB3 ARG 10 1HB ARG 10 2.481 -1.280 4.341
79 HG2 ARG 10 2HG ARG 10 0.117 -1.579 3.737
80 HG3 ARG 10 1HG ARG 10 0.567 -2.901 2.672
81 HD2 ARG 10 2HD ARG 10 1.428 -4.124 4.650
82 HD3 ARG 10 1HD ARG 10 0.833 -2.806 5.672
83 HE ARG 10 HE ARG 10 -1.190 -3.798 3.939
84 HH11 ARG 10 1HH1 ARG 10 0.449 -4.642 6.970
85 HH12 ARG 10 2HH1 ARG 10 -0.855 -5.498 7.616
86 HH21 ARG 10 1HH2 ARG 10 -3.020 -5.008 4.837
87 HH22 ARG 10 2HH2 ARG 10 -2.891 -5.684 6.381
88 H CYS 11 H CYS 11 0.452 -0.019 0.729
89 HA CYS 11 HA CYS 11 -0.547 2.003 2.581
90 HB2 CYS 11 2HB CYS 11 -1.352 1.417 -0.264
91 HB3 CYS 11 1HB CYS 11 -1.735 2.855 0.656
92 H VAL 12 H VAL 12 -2.102 1.117 3.834
93 HA VAL 12 HA VAL 12 -3.180 -1.409 3.094
94 HB VAL 12 HB VAL 12 -2.665 -1.030 5.445
95 HG11 VAL 12 1HG1 VAL 12 -3.066 1.335 5.652
96 HG12 VAL 12 2HG1 VAL 12 -3.957 0.448 6.884
97 HG13 VAL 12 3HG1 VAL 12 -4.806 1.081 5.471
98 HG21 VAL 12 3HG2 VAL 12 -5.625 -1.380 5.030
99 HG22 VAL 12 1HG2 VAL 12 -4.742 -1.815 6.494
100 HG23 VAL 12 2HG2 VAL 12 -4.403 -2.649 4.976
101 H CYS 13 H CYS 13 -4.293 -1.243 1.344
102 HA CYS 13 HA CYS 13 -6.451 0.620 1.045
103 HB2 CYS 13 2HB CYS 13 -5.411 -1.582 -0.709
104 HB3 CYS 13 1HB CYS 13 -6.722 -0.519 -1.127
105 H ARG 14 H ARG 14 -8.469 -0.145 0.365
106 HA ARG 14 HA ARG 14 -9.334 -2.749 1.391
107 HB2 ARG 14 2HB ARG 14 -10.801 -0.115 1.805
108 HB3 ARG 14 1HB ARG 14 -11.380 -1.696 2.283
109 HG2 ARG 14 2HG ARG 14 -8.985 -0.267 3.414
110 HG3 ARG 14 1HG ARG 14 -10.550 -0.466 4.206
111 HD2 ARG 14 2HD ARG 14 -10.223 -2.908 4.187
112 HD3 ARG 14 1HD ARG 14 -8.641 -2.677 3.435
113 HE ARG 14 HE ARG 14 -8.991 -1.216 5.856
114 HH11 ARG 14 1HH1 ARG 14 -7.869 -4.307 4.504
115 HH12 ARG 14 2HH1 ARG 14 -7.045 -4.763 5.911
116 HH21 ARG 14 1HH2 ARG 14 -7.895 -1.856 7.746
117 HH22 ARG 14 2HH2 ARG 14 -7.018 -3.309 7.814
118 H ARG 15 H ARG 15 -11.668 -3.016 0.481
119 HA ARG 15 HA ARG 15 -11.376 -3.006 -2.346
120 HB2 ARG 15 2HB ARG 15 -12.265 -4.880 -0.957
121 HB3 ARG 15 1HB ARG 15 -13.701 -3.920 -0.656
122 HG2 ARG 15 2HG ARG 15 -14.107 -3.913 -3.112
123 HG3 ARG 15 1HG ARG 15 -12.745 -5.025 -3.278
124 HD2 ARG 15 2HD ARG 15 -15.252 -5.503 -1.677
125 HD3 ARG 15 1HD ARG 15 -14.836 -6.253 -3.212
126 HE ARG 15 HE ARG 15 -12.893 -6.680 -1.144
127 HH11 ARG 15 1HH1 ARG 15 -15.867 -7.900 -2.607
128 HH12 ARG 15 2HH1 ARG 15 -15.732 -9.457 -1.955
129 HH21 ARG 15 1HH2 ARG 15 -12.679 -8.833 -0.261
130 HH22 ARG 15 2HH2 ARG 15 -13.885 -9.996 -0.606
131 H GLY 16 H GLY 16 -11.376 -0.673 -2.014
132 HA2 GLY 16 2HA GLY 16 -13.087 0.682 -3.591
133 HA3 GLY 16 1HA GLY 16 -13.946 0.718 -2.051
134 H VAL 17 H VAL 17 -11.150 0.657 -0.789
135 HA VAL 17 HA VAL 17 -10.788 3.569 -0.936
136 HB VAL 17 HB VAL 17 -10.162 1.789 1.445
137 HG11 VAL 17 1HG1 VAL 17 -9.960 3.886 2.699
138 HG12 VAL 17 2HG1 VAL 17 -10.210 4.792 1.206
139 HG13 VAL 17 3HG1 VAL 17 -8.782 3.771 1.389
140 HG21 VAL 17 3HG2 VAL 17 -12.511 3.642 1.060
141 HG22 VAL 17 1HG2 VAL 17 -12.122 2.767 2.542
142 HG23 VAL 17 2HG2 VAL 17 -12.579 1.880 1.083
143 H CYS 18 H CYS 18 -9.302 3.300 -2.638
144 HA CYS 18 HA CYS 18 -6.608 3.007 -1.726
145 HB2 CYS 18 2HB CYS 18 -7.495 0.637 -2.423
146 HB3 CYS 18 1HB CYS 18 -7.446 1.267 -4.051
Start of MODEL 18
1 H1 ARG 1 1HT ARG 1 -3.834 4.947 3.448
2 H2 ARG 1 2HT ARG 1 -2.853 6.057 2.650
3 H3 ARG 1 3HT ARG 1 -3.868 6.587 3.870
4 HA ARG 1 HA ARG 1 -1.587 6.464 4.624
5 HB2 ARG 1 2HB ARG 1 -3.214 4.172 5.772
6 HB3 ARG 1 1HB ARG 1 -1.903 5.017 6.575
7 HG2 ARG 1 2HG ARG 1 -4.490 6.316 5.761
8 HG3 ARG 1 1HG ARG 1 -4.179 5.655 7.362
9 HD2 ARG 1 2HD ARG 1 -2.437 7.247 7.753
10 HD3 ARG 1 1HD ARG 1 -2.489 7.794 6.079
11 HE ARG 1 HE ARG 1 -4.939 8.313 6.760
12 HH11 ARG 1 1HH1 ARG 1 -2.085 8.866 8.820
13 HH12 ARG 1 2HH1 ARG 1 -2.702 10.297 9.484
14 HH21 ARG 1 1HH2 ARG 1 -5.759 10.298 7.734
15 HH22 ARG 1 2HH2 ARG 1 -4.788 11.135 8.858
16 H CYS 2 H CYS 2 0.220 5.709 3.594
17 HA CYS 2 HA CYS 2 0.175 2.895 2.898
18 HB2 CYS 2 2HB CYS 2 1.878 5.045 1.630
19 HB3 CYS 2 1HB CYS 2 1.667 3.395 1.071
20 H VAL 3 H VAL 3 2.240 1.650 3.249
21 HA VAL 3 HA VAL 3 3.924 2.931 5.273
22 HB VAL 3 HB VAL 3 2.861 0.080 5.358
23 HG11 VAL 3 1HG1 VAL 3 3.926 -0.071 7.560
24 HG12 VAL 3 2HG1 VAL 3 4.603 1.542 7.345
25 HG13 VAL 3 3HG1 VAL 3 5.110 0.224 6.286
26 HG21 VAL 3 3HG2 VAL 3 1.118 1.667 5.960
27 HG22 VAL 3 1HG2 VAL 3 2.190 2.435 7.129
28 HG23 VAL 3 2HG2 VAL 3 1.648 0.777 7.389
29 H CYS 4 H CYS 4 6.091 2.535 5.034
30 HA CYS 4 HA CYS 4 6.879 0.623 2.958
31 HB2 CYS 4 2HB CYS 4 8.225 3.222 3.598
32 HB3 CYS 4 1HB CYS 4 8.670 2.103 2.338
33 H ARG 5 H ARG 5 8.320 -0.758 3.568
34 HA ARG 5 HA ARG 5 10.204 -0.109 5.657
35 HB2 ARG 5 2HB ARG 5 8.321 -1.313 6.810
36 HB3 ARG 5 1HB ARG 5 8.614 -2.691 5.755
37 HG2 ARG 5 2HG ARG 5 10.894 -2.885 6.650
38 HG3 ARG 5 1HG ARG 5 10.580 -1.527 7.725
39 HD2 ARG 5 2HD ARG 5 10.344 -3.562 8.940
40 HD3 ARG 5 1HD ARG 5 8.748 -2.835 8.754
41 HE ARG 5 HE ARG 5 9.213 -4.631 6.663
42 HH11 ARG 5 1HH1 ARG 5 8.679 -4.692 10.164
43 HH12 ARG 5 2HH1 ARG 5 7.895 -6.195 10.163
44 HH21 ARG 5 1HH2 ARG 5 8.176 -6.749 6.679
45 HH22 ARG 5 2HH2 ARG 5 7.619 -7.402 8.149
46 H ARG 6 H ARG 6 12.162 -0.869 5.144
47 HA ARG 6 HA ARG 6 13.868 -1.797 3.973
48 HB2 ARG 6 2HB ARG 6 12.752 -3.926 4.831
49 HB3 ARG 6 1HB ARG 6 11.938 -4.039 3.286
50 HG2 ARG 6 2HG ARG 6 14.182 -4.149 2.188
51 HG3 ARG 6 1HG ARG 6 14.900 -4.230 3.796
52 HD2 ARG 6 2HD ARG 6 12.953 -6.187 2.588
53 HD3 ARG 6 1HD ARG 6 14.672 -6.459 2.883
54 HE ARG 6 HE ARG 6 13.171 -5.737 5.208
55 HH11 ARG 6 1HH1 ARG 6 14.154 -8.486 3.204
56 HH12 ARG 6 2HH1 ARG 6 14.065 -9.614 4.470
57 HH21 ARG 6 1HH2 ARG 6 13.020 -7.243 6.902
58 HH22 ARG 6 2HH2 ARG 6 13.374 -8.892 6.656
59 H GLY 7 H GLY 7 12.110 0.021 2.745
60 HA2 GLY 7 2HA GLY 7 11.951 1.040 0.699
61 HA3 GLY 7 1HA GLY 7 12.882 -0.300 0.039
62 H VAL 8 H VAL 8 10.389 -1.747 1.600
63 HA VAL 8 HA VAL 8 8.883 -2.047 -0.869
64 HB VAL 8 HB VAL 8 8.551 -3.522 1.765
65 HG11 VAL 8 1HG1 VAL 8 6.540 -3.568 0.398
66 HG12 VAL 8 2HG1 VAL 8 7.294 -5.163 0.441
67 HG13 VAL 8 3HG1 VAL 8 7.473 -4.141 -0.985
68 HG21 VAL 8 3HG2 VAL 8 9.702 -5.399 0.683
69 HG22 VAL 8 1HG2 VAL 8 10.744 -3.982 0.835
70 HG23 VAL 8 2HG2 VAL 8 10.010 -4.387 -0.724
71 H CYS 9 H CYS 9 7.426 -0.527 -1.121
72 HA CYS 9 HA CYS 9 5.955 0.473 1.178
73 HB2 CYS 9 2HB CYS 9 6.119 1.413 -1.683
74 HB3 CYS 9 1HB CYS 9 5.086 2.139 -0.459
75 H ARG 10 H ARG 10 3.947 -0.169 1.571
76 HA ARG 10 HA ARG 10 2.387 -1.202 -0.651
77 HB2 ARG 10 2HB ARG 10 3.191 -3.165 0.726
78 HB3 ARG 10 1HB ARG 10 2.422 -2.434 2.133
79 HG2 ARG 10 2HG ARG 10 0.246 -2.550 0.974
80 HG3 ARG 10 1HG ARG 10 1.026 -3.350 -0.381
81 HD2 ARG 10 2HD ARG 10 1.655 -5.206 1.091
82 HD3 ARG 10 1HD ARG 10 0.872 -4.382 2.443
83 HE ARG 10 HE ARG 10 -0.810 -4.849 0.136
84 HH11 ARG 10 1HH1 ARG 10 0.171 -6.074 3.308
85 HH12 ARG 10 2HH1 ARG 10 -1.203 -7.054 3.510
86 HH21 ARG 10 1HH2 ARG 10 -2.667 -6.191 0.398
87 HH22 ARG 10 2HH2 ARG 10 -2.846 -7.152 1.780
88 H CYS 11 H CYS 11 0.309 -0.419 -0.535
89 HA CYS 11 HA CYS 11 0.054 1.445 1.632
90 HB2 CYS 11 2HB CYS 11 -0.095 2.235 -0.771
91 HB3 CYS 11 1HB CYS 11 -1.681 1.453 -0.815
92 H VAL 12 H VAL 12 -1.694 1.437 2.960
93 HA VAL 12 HA VAL 12 -3.057 -1.115 3.074
94 HB VAL 12 HB VAL 12 -3.249 1.253 4.966
95 HG11 VAL 12 1HG1 VAL 12 -5.134 -0.276 5.156
96 HG12 VAL 12 2HG1 VAL 12 -4.109 -0.379 6.584
97 HG13 VAL 12 3HG1 VAL 12 -4.032 -1.640 5.349
98 HG21 VAL 12 3HG2 VAL 12 -0.950 0.438 4.849
99 HG22 VAL 12 1HG2 VAL 12 -1.501 -1.205 5.179
100 HG23 VAL 12 2HG2 VAL 12 -1.672 0.045 6.408
101 H CYS 13 H CYS 13 -4.469 -1.032 1.406
102 HA CYS 13 HA CYS 13 -6.097 1.248 0.896
103 HB2 CYS 13 2HB CYS 13 -6.440 -1.534 -0.146
104 HB3 CYS 13 1HB CYS 13 -6.995 -0.033 -0.834
105 H ARG 14 H ARG 14 -8.440 1.171 0.970
106 HA ARG 14 HA ARG 14 -9.358 -0.421 3.234
107 HB2 ARG 14 2HB ARG 14 -10.108 2.351 2.342
108 HB3 ARG 14 1HB ARG 14 -11.066 1.432 3.498
109 HG2 ARG 14 2HG ARG 14 -9.182 1.376 5.030
110 HG3 ARG 14 1HG ARG 14 -8.171 2.208 3.851
111 HD2 ARG 14 2HD ARG 14 -9.099 3.698 5.631
112 HD3 ARG 14 1HD ARG 14 -9.520 4.189 3.990
113 HE ARG 14 HE ARG 14 -11.612 2.667 4.686
114 HH11 ARG 14 1HH1 ARG 14 -10.098 5.361 6.445
115 HH12 ARG 14 2HH1 ARG 14 -11.564 5.912 7.100
116 HH21 ARG 14 1HH2 ARG 14 -13.565 3.429 5.562
117 HH22 ARG 14 2HH2 ARG 14 -13.583 4.796 6.583
118 H ARG 15 H ARG 15 -9.741 -2.072 1.614
119 HA ARG 15 HA ARG 15 -10.865 -3.221 0.057
120 HB2 ARG 15 2HB ARG 15 -11.857 -3.641 2.173
121 HB3 ARG 15 1HB ARG 15 -12.871 -2.226 2.013
122 HG2 ARG 15 2HG ARG 15 -14.102 -3.387 0.188
123 HG3 ARG 15 1HG ARG 15 -13.029 -4.773 0.371
124 HD2 ARG 15 2HD ARG 15 -14.809 -3.685 2.549
125 HD3 ARG 15 1HD ARG 15 -15.199 -5.074 1.545
126 HE ARG 15 HE ARG 15 -13.357 -6.231 2.513
127 HH11 ARG 15 1HH1 ARG 15 -14.154 -3.178 4.226
128 HH12 ARG 15 2HH1 ARG 15 -13.570 -3.726 5.713
129 HH21 ARG 15 1HH2 ARG 15 -12.510 -6.923 4.623
130 HH22 ARG 15 2HH2 ARG 15 -12.600 -5.849 5.937
131 H GLY 16 H GLY 16 -10.369 -1.544 -1.563
132 HA2 GLY 16 2HA GLY 16 -11.355 -0.989 -3.653
133 HA3 GLY 16 1HA GLY 16 -12.861 -0.643 -2.812
134 H VAL 17 H VAL 17 -11.138 0.759 -0.700
135 HA VAL 17 HA VAL 17 -11.014 3.277 -2.174
136 HB VAL 17 HB VAL 17 -11.335 2.836 0.816
137 HG11 VAL 17 1HG1 VAL 17 -10.265 4.963 0.300
138 HG12 VAL 17 2HG1 VAL 17 -11.901 5.217 0.911
139 HG13 VAL 17 3HG1 VAL 17 -11.575 5.357 -0.818
140 HG21 VAL 17 3HG2 VAL 17 -13.323 2.082 -0.370
141 HG22 VAL 17 1HG2 VAL 17 -13.419 3.622 -1.221
142 HG23 VAL 17 2HG2 VAL 17 -13.664 3.562 0.523
143 H CYS 18 H CYS 18 -8.908 2.734 -2.924
144 HA CYS 18 HA CYS 18 -6.868 2.932 -0.834
145 HB2 CYS 18 2HB CYS 18 -6.937 0.870 -2.496
146 HB3 CYS 18 1HB CYS 18 -6.348 2.030 -3.655
Start of MODEL 19
1 H1 ARG 1 1HT ARG 1 -3.244 4.123 4.140
2 H2 ARG 1 2HT ARG 1 -2.079 5.265 3.790
3 H3 ARG 1 3HT ARG 1 -3.245 5.581 4.970
4 HA ARG 1 HA ARG 1 -1.138 4.994 5.975
5 HB2 ARG 1 2HB ARG 1 -3.283 2.862 6.257
6 HB3 ARG 1 1HB ARG 1 -1.969 3.112 7.397
7 HG2 ARG 1 2HG ARG 1 -2.805 5.314 7.942
8 HG3 ARG 1 1HG ARG 1 -4.073 5.173 6.737
9 HD2 ARG 1 2HD ARG 1 -4.968 3.217 8.013
10 HD3 ARG 1 1HD ARG 1 -3.758 3.542 9.257
11 HE ARG 1 HE ARG 1 -5.157 5.895 8.730
12 HH11 ARG 1 1HH1 ARG 1 -5.677 2.820 10.390
13 HH12 ARG 1 2HH1 ARG 1 -6.996 3.379 11.306
14 HH21 ARG 1 1HH2 ARG 1 -6.924 6.668 10.014
15 HH22 ARG 1 2HH2 ARG 1 -7.710 5.610 11.108
16 H CYS 2 H CYS 2 0.601 4.483 4.743
17 HA CYS 2 HA CYS 2 0.768 1.755 3.677
18 HB2 CYS 2 2HB CYS 2 2.252 4.219 2.729
19 HB3 CYS 2 1HB CYS 2 2.212 2.644 1.958
20 H VAL 3 H VAL 3 2.770 0.682 4.156
21 HA VAL 3 HA VAL 3 4.497 2.114 6.031
22 HB VAL 3 HB VAL 3 3.392 0.364 7.295
23 HG11 VAL 3 1HG1 VAL 3 3.459 -1.994 6.676
24 HG12 VAL 3 2HG1 VAL 3 4.271 -1.585 5.168
25 HG13 VAL 3 3HG1 VAL 3 2.619 -1.039 5.455
26 HG21 VAL 3 3HG2 VAL 3 5.765 0.640 7.767
27 HG22 VAL 3 1HG2 VAL 3 6.162 -0.572 6.552
28 HG23 VAL 3 2HG2 VAL 3 5.276 -1.041 8.002
29 H CYS 4 H CYS 4 6.552 2.348 5.448
30 HA CYS 4 HA CYS 4 7.559 0.609 3.316
31 HB2 CYS 4 2HB CYS 4 8.266 3.491 3.781
32 HB3 CYS 4 1HB CYS 4 8.900 2.450 2.525
33 H ARG 5 H ARG 5 9.363 -0.316 3.680
34 HA ARG 5 HA ARG 5 11.181 0.658 5.759
35 HB2 ARG 5 2HB ARG 5 10.405 -2.243 5.369
36 HB3 ARG 5 1HB ARG 5 11.677 -1.674 6.431
37 HG2 ARG 5 2HG ARG 5 9.947 -0.476 7.752
38 HG3 ARG 5 1HG ARG 5 8.716 -1.223 6.726
39 HD2 ARG 5 2HD ARG 5 8.968 -2.532 8.736
40 HD3 ARG 5 1HD ARG 5 9.596 -3.446 7.363
41 HE ARG 5 HE ARG 5 11.313 -1.945 9.219
42 HH11 ARG 5 1HH1 ARG 5 10.774 -4.875 7.232
43 HH12 ARG 5 2HH1 ARG 5 12.117 -5.677 7.863
44 HH21 ARG 5 1HH2 ARG 5 13.195 -3.098 10.011
45 HH22 ARG 5 2HH2 ARG 5 13.515 -4.673 9.430
46 H ARG 6 H ARG 6 12.856 1.230 4.591
47 HA ARG 6 HA ARG 6 14.634 1.200 3.200
48 HB2 ARG 6 2HB ARG 6 14.991 -0.989 4.443
49 HB3 ARG 6 1HB ARG 6 14.223 -1.796 3.096
50 HG2 ARG 6 2HG ARG 6 16.035 -1.004 1.623
51 HG3 ARG 6 1HG ARG 6 16.818 -0.269 3.025
52 HD2 ARG 6 2HD ARG 6 16.201 -3.190 2.643
53 HD3 ARG 6 1HD ARG 6 17.793 -2.445 2.593
54 HE ARG 6 HE ARG 6 17.199 -1.745 4.967
55 HH11 ARG 6 1HH1 ARG 6 16.195 -4.831 3.521
56 HH12 ARG 6 2HH1 ARG 6 16.264 -5.693 4.982
57 HH21 ARG 6 1HH2 ARG 6 17.221 -2.926 6.988
58 HH22 ARG 6 2HH2 ARG 6 16.823 -4.577 7.016
59 H GLY 7 H GLY 7 12.056 1.562 2.138
60 HA2 GLY 7 2HA GLY 7 11.461 2.172 -0.040
61 HA3 GLY 7 1HA GLY 7 12.676 1.033 -0.612
62 H VAL 8 H VAL 8 11.299 -0.895 1.438
63 HA VAL 8 HA VAL 8 9.477 -2.028 -0.502
64 HB VAL 8 HB VAL 8 10.099 -2.964 2.327
65 HG11 VAL 8 1HG1 VAL 8 8.812 -4.432 0.022
66 HG12 VAL 8 2HG1 VAL 8 7.997 -3.862 1.475
67 HG13 VAL 8 3HG1 VAL 8 9.214 -5.133 1.589
68 HG21 VAL 8 3HG2 VAL 8 12.124 -2.962 0.987
69 HG22 VAL 8 1HG2 VAL 8 11.307 -3.860 -0.290
70 HG23 VAL 8 2HG2 VAL 8 11.588 -4.620 1.278
71 H CYS 9 H CYS 9 7.587 -1.026 -0.652
72 HA CYS 9 HA CYS 9 6.338 -0.095 1.820
73 HB2 CYS 9 2HB CYS 9 5.830 0.779 -1.016
74 HB3 CYS 9 1HB CYS 9 4.993 1.376 0.404
75 H ARG 10 H ARG 10 4.581 -0.962 2.496
76 HA ARG 10 HA ARG 10 2.965 -2.543 0.657
77 HB2 ARG 10 2HB ARG 10 3.974 -4.020 2.334
78 HB3 ARG 10 1HB ARG 10 3.444 -2.962 3.630
79 HG2 ARG 10 2HG ARG 10 2.027 -4.927 3.506
80 HG3 ARG 10 1HG ARG 10 1.104 -3.480 3.100
81 HD2 ARG 10 2HD ARG 10 1.552 -4.015 0.686
82 HD3 ARG 10 1HD ARG 10 2.193 -5.564 1.221
83 HE ARG 10 HE ARG 10 -0.281 -5.352 2.365
84 HH11 ARG 10 1HH1 ARG 10 1.014 -5.388 -0.915
85 HH12 ARG 10 2HH1 ARG 10 -0.422 -5.936 -1.647
86 HH21 ARG 10 1HH2 ARG 10 -2.289 -6.120 1.365
87 HH22 ARG 10 2HH2 ARG 10 -2.343 -6.356 -0.319
88 H CYS 11 H CYS 11 0.956 -1.675 0.414
89 HA CYS 11 HA CYS 11 0.026 0.047 2.568
90 HB2 CYS 11 2HB CYS 11 1.005 1.343 0.596
91 HB3 CYS 11 1HB CYS 11 -0.355 0.734 -0.346
92 H VAL 12 H VAL 12 -2.122 -0.015 2.915
93 HA VAL 12 HA VAL 12 -3.481 -2.338 1.791
94 HB VAL 12 HB VAL 12 -3.313 -2.078 4.263
95 HG11 VAL 12 1HG1 VAL 12 -4.653 -0.413 5.456
96 HG12 VAL 12 2HG1 VAL 12 -5.039 0.355 3.917
97 HG13 VAL 12 3HG1 VAL 12 -3.370 0.312 4.485
98 HG21 VAL 12 3HG2 VAL 12 -5.679 -2.523 4.822
99 HG22 VAL 12 1HG2 VAL 12 -5.156 -3.400 3.384
100 HG23 VAL 12 2HG2 VAL 12 -6.147 -1.950 3.223
101 H CYS 13 H CYS 13 -5.567 -2.154 0.808
102 HA CYS 13 HA CYS 13 -6.023 0.250 -0.598
103 HB2 CYS 13 2HB CYS 13 -8.063 -0.888 -1.339
104 HB3 CYS 13 1HB CYS 13 -6.615 -1.817 -1.637
105 H ARG 14 H ARG 14 -8.275 1.187 -0.562
106 HA ARG 14 HA ARG 14 -8.877 1.691 2.278
107 HB2 ARG 14 2HB ARG 14 -9.171 3.633 -0.019
108 HB3 ARG 14 1HB ARG 14 -9.462 3.976 1.682
109 HG2 ARG 14 2HG ARG 14 -7.047 3.477 2.096
110 HG3 ARG 14 1HG ARG 14 -6.836 3.401 0.348
111 HD2 ARG 14 2HD ARG 14 -7.712 5.767 1.996
112 HD3 ARG 14 1HD ARG 14 -6.217 5.593 1.091
113 HE ARG 14 HE ARG 14 -8.896 5.844 -0.087
114 HH11 ARG 14 1HH1 ARG 14 -5.383 6.196 -0.406
115 HH12 ARG 14 2HH1 ARG 14 -5.448 7.279 -1.709
116 HH21 ARG 14 1HH2 ARG 14 -8.996 7.358 -1.928
117 HH22 ARG 14 2HH2 ARG 14 -7.557 7.941 -2.605
118 H ARG 15 H ARG 15 -11.139 2.522 2.560
119 HA ARG 15 HA ARG 15 -12.847 0.472 1.521
120 HB2 ARG 15 2HB ARG 15 -12.671 1.389 3.946
121 HB3 ARG 15 1HB ARG 15 -13.664 2.710 3.363
122 HG2 ARG 15 2HG ARG 15 -15.093 1.124 4.421
123 HG3 ARG 15 1HG ARG 15 -15.373 1.017 2.683
124 HD2 ARG 15 2HD ARG 15 -13.950 -0.945 2.539
125 HD3 ARG 15 1HD ARG 15 -13.537 -0.798 4.241
126 HE ARG 15 HE ARG 15 -16.341 -1.059 3.731
127 HH11 ARG 15 1HH1 ARG 15 -13.316 -2.843 4.196
128 HH12 ARG 15 2HH1 ARG 15 -14.044 -4.239 4.808
129 HH21 ARG 15 1HH2 ARG 15 -17.374 -3.036 4.511
130 HH22 ARG 15 2HH2 ARG 15 -16.421 -4.368 4.958
131 H GLY 16 H GLY 16 -12.291 1.729 -0.475
132 HA2 GLY 16 2HA GLY 16 -14.595 2.796 -1.660
133 HA3 GLY 16 1HA GLY 16 -13.524 4.136 -1.263
134 H VAL 17 H VAL 17 -11.099 2.305 -1.642
135 HA VAL 17 HA VAL 17 -11.289 1.828 -4.456
136 HB VAL 17 HB VAL 17 -10.351 4.071 -4.386
137 HG11 VAL 17 1HG1 VAL 17 -8.240 3.025 -2.518
138 HG12 VAL 17 2HG1 VAL 17 -9.518 4.180 -2.138
139 HG13 VAL 17 3HG1 VAL 17 -8.240 4.621 -3.270
140 HG21 VAL 17 3HG2 VAL 17 -8.175 3.719 -5.514
141 HG22 VAL 17 1HG2 VAL 17 -9.438 2.634 -6.102
142 HG23 VAL 17 2HG2 VAL 17 -8.211 2.033 -4.993
143 H CYS 18 H CYS 18 -11.352 -0.284 -4.018
144 HA CYS 18 HA CYS 18 -8.835 -1.526 -3.405
145 HB2 CYS 18 2HB CYS 18 -10.131 -1.305 -1.201
146 HB3 CYS 18 1HB CYS 18 -11.361 -2.327 -1.926
Start of MODEL 20
1 H1 ARG 1 1HT ARG 1 -2.799 5.582 3.858
2 H2 ARG 1 2HT ARG 1 -3.434 5.889 5.372
3 H3 ARG 1 3HT ARG 1 -3.628 4.359 4.662
4 HA ARG 1 HA ARG 1 -1.086 5.567 5.474
5 HB2 ARG 1 2HB ARG 1 -2.828 3.484 6.761
6 HB3 ARG 1 1HB ARG 1 -1.091 3.480 7.017
7 HG2 ARG 1 2HG ARG 1 -2.742 5.924 7.520
8 HG3 ARG 1 1HG ARG 1 -2.521 4.674 8.748
9 HD2 ARG 1 2HD ARG 1 -0.250 6.083 7.338
10 HD3 ARG 1 1HD ARG 1 -0.901 6.572 8.903
11 HE ARG 1 HE ARG 1 -0.364 4.131 9.493
12 HH11 ARG 1 1HH1 ARG 1 1.698 6.008 7.280
13 HH12 ARG 1 2HH1 ARG 1 3.152 5.412 7.923
14 HH21 ARG 1 1HH2 ARG 1 1.661 3.320 10.342
15 HH22 ARG 1 2HH2 ARG 1 3.135 3.835 9.704
16 H CYS 2 H CYS 2 0.460 5.001 4.192
17 HA CYS 2 HA CYS 2 0.655 2.205 3.416
18 HB2 CYS 2 2HB CYS 2 1.394 4.644 1.795
19 HB3 CYS 2 1HB CYS 2 1.892 3.010 1.401
20 H VAL 3 H VAL 3 2.389 1.361 4.283
21 HA VAL 3 HA VAL 3 4.379 3.164 5.451
22 HB VAL 3 HB VAL 3 3.951 0.203 5.947
23 HG11 VAL 3 1HG1 VAL 3 5.600 2.227 7.455
24 HG12 VAL 3 2HG1 VAL 3 6.214 0.932 6.430
25 HG13 VAL 3 3HG1 VAL 3 5.356 0.544 7.921
26 HG21 VAL 3 3HG2 VAL 3 2.006 1.470 6.694
27 HG22 VAL 3 1HG2 VAL 3 3.050 2.558 7.609
28 HG23 VAL 3 2HG2 VAL 3 2.918 0.864 8.074
29 H CYS 4 H CYS 4 5.968 3.526 4.011
30 HA CYS 4 HA CYS 4 6.998 1.211 2.535
31 HB2 CYS 4 2HB CYS 4 7.501 4.102 2.042
32 HB3 CYS 4 1HB CYS 4 8.115 2.789 1.077
33 H ARG 5 H ARG 5 8.658 0.434 3.229
34 HA ARG 5 HA ARG 5 10.743 2.040 4.503
35 HB2 ARG 5 2HB ARG 5 9.552 -0.431 5.760
36 HB3 ARG 5 1HB ARG 5 11.076 0.275 6.257
37 HG2 ARG 5 2HG ARG 5 9.933 2.320 6.899
38 HG3 ARG 5 1HG ARG 5 8.395 1.635 6.363
39 HD2 ARG 5 2HD ARG 5 8.636 -0.149 8.009
40 HD3 ARG 5 1HD ARG 5 10.159 0.557 8.558
41 HE ARG 5 HE ARG 5 8.390 2.581 8.769
42 HH11 ARG 5 1HH1 ARG 5 8.425 -0.719 10.007
43 HH12 ARG 5 2HH1 ARG 5 7.506 -0.372 11.394
44 HH21 ARG 5 1HH2 ARG 5 7.105 3.087 10.662
45 HH22 ARG 5 2HH2 ARG 5 6.725 1.864 11.781
46 H ARG 6 H ARG 6 12.330 1.757 3.241
47 HA ARG 6 HA ARG 6 14.052 0.871 2.080
48 HB2 ARG 6 2HB ARG 6 14.217 -0.233 4.440
49 HB3 ARG 6 1HB ARG 6 13.656 -1.682 3.630
50 HG2 ARG 6 2HG ARG 6 15.611 -1.706 2.218
51 HG3 ARG 6 1HG ARG 6 16.154 -0.166 2.899
52 HD2 ARG 6 2HD ARG 6 16.192 -1.287 5.145
53 HD3 ARG 6 1HD ARG 6 15.898 -2.816 4.324
54 HE ARG 6 HE ARG 6 18.072 -1.686 3.077
55 HH11 ARG 6 1HH1 ARG 6 17.327 -2.951 6.324
56 HH12 ARG 6 2HH1 ARG 6 18.941 -3.197 6.756
57 HH21 ARG 6 1HH2 ARG 6 20.340 -2.070 3.703
58 HH22 ARG 6 2HH2 ARG 6 20.688 -2.689 5.242
59 H GLY 7 H GLY 7 11.613 0.735 0.814
60 HA2 GLY 7 2HA GLY 7 11.355 -0.068 -1.400
61 HA3 GLY 7 1HA GLY 7 12.082 -1.568 -0.839
62 H VAL 8 H VAL 8 10.390 -1.579 1.602
63 HA VAL 8 HA VAL 8 8.214 -3.011 0.357
64 HB VAL 8 HB VAL 8 8.807 -2.619 3.300
65 HG11 VAL 8 1HG1 VAL 8 7.377 -4.588 3.631
66 HG12 VAL 8 2HG1 VAL 8 7.023 -4.616 1.906
67 HG13 VAL 8 3HG1 VAL 8 6.492 -3.255 2.890
68 HG21 VAL 8 3HG2 VAL 8 9.782 -4.860 3.223
69 HG22 VAL 8 1HG2 VAL 8 10.652 -3.738 2.175
70 HG23 VAL 8 2HG2 VAL 8 9.526 -4.907 1.477
71 H CYS 9 H CYS 9 6.663 -1.695 -0.406
72 HA CYS 9 HA CYS 9 5.541 0.317 1.397
73 HB2 CYS 9 2HB CYS 9 5.206 -0.123 -1.571
74 HB3 CYS 9 1HB CYS 9 4.146 0.934 -0.649
75 H ARG 10 H ARG 10 4.099 -0.437 2.701
76 HA ARG 10 HA ARG 10 2.239 -2.484 1.719
77 HB2 ARG 10 2HB ARG 10 3.643 -3.096 3.670
78 HB3 ARG 10 1HB ARG 10 2.956 -1.747 4.560
79 HG2 ARG 10 2HG ARG 10 0.721 -2.796 4.352
80 HG3 ARG 10 1HG ARG 10 1.483 -4.179 3.561
81 HD2 ARG 10 2HD ARG 10 1.167 -4.678 5.894
82 HD3 ARG 10 1HD ARG 10 2.889 -4.494 5.564
83 HE ARG 10 HE ARG 10 1.259 -2.340 6.733
84 HH11 ARG 10 1HH1 ARG 10 4.228 -4.263 6.745
85 HH12 ARG 10 2HH1 ARG 10 4.876 -3.475 8.100
86 HH21 ARG 10 1HH2 ARG 10 2.136 -1.284 8.549
87 HH22 ARG 10 2HH2 ARG 10 3.676 -1.706 9.146
88 H CYS 11 H CYS 11 0.428 -1.504 1.022
89 HA CYS 11 HA CYS 11 -0.667 0.745 2.526
90 HB2 CYS 11 2HB CYS 11 -1.258 -0.354 -0.212
91 HB3 CYS 11 1HB CYS 11 -2.184 0.938 0.537
92 H VAL 12 H VAL 12 -2.733 0.678 3.322
93 HA VAL 12 HA VAL 12 -3.847 -1.984 3.730
94 HB VAL 12 HB VAL 12 -4.687 0.676 4.935
95 HG11 VAL 12 1HG1 VAL 12 -6.461 -0.990 4.984
96 HG12 VAL 12 2HG1 VAL 12 -5.860 -0.671 6.607
97 HG13 VAL 12 3HG1 VAL 12 -5.378 -2.143 5.763
98 HG21 VAL 12 3HG2 VAL 12 -2.914 -1.465 6.119
99 HG22 VAL 12 1HG2 VAL 12 -3.507 -0.040 6.972
100 HG23 VAL 12 2HG2 VAL 12 -2.406 0.144 5.606
101 H CYS 13 H CYS 13 -5.129 -2.568 1.997
102 HA CYS 13 HA CYS 13 -6.460 -0.547 0.533
103 HB2 CYS 13 2HB CYS 13 -6.547 -3.527 0.249
104 HB3 CYS 13 1HB CYS 13 -7.273 -2.374 -0.831
105 H ARG 14 H ARG 14 -8.536 -0.540 0.115
106 HA ARG 14 HA ARG 14 -10.523 -1.574 1.942
107 HB2 ARG 14 2HB ARG 14 -9.638 1.320 1.761
108 HB3 ARG 14 1HB ARG 14 -11.229 0.865 2.337
109 HG2 ARG 14 2HG ARG 14 -10.417 0.011 4.312
110 HG3 ARG 14 1HG ARG 14 -8.837 -0.358 3.621
111 HD2 ARG 14 2HD ARG 14 -9.839 2.446 4.060
112 HD3 ARG 14 1HD ARG 14 -8.892 1.562 5.253
113 HE ARG 14 HE ARG 14 -7.355 1.331 3.076
114 HH11 ARG 14 1HH1 ARG 14 -8.917 4.233 4.359
115 HH12 ARG 14 2HH1 ARG 14 -7.623 5.264 3.988
116 HH21 ARG 14 1HH2 ARG 14 -5.588 2.738 2.528
117 HH22 ARG 14 2HH2 ARG 14 -5.694 4.393 2.885
118 H ARG 15 H ARG 15 -12.635 -0.729 1.108
119 HA ARG 15 HA ARG 15 -12.727 -1.017 -1.727
120 HB2 ARG 15 2HB ARG 15 -14.354 -2.180 -0.276
121 HB3 ARG 15 1HB ARG 15 -14.963 -0.635 0.289
122 HG2 ARG 15 2HG ARG 15 -15.759 -0.119 -1.964
123 HG3 ARG 15 1HG ARG 15 -15.139 -1.661 -2.544
124 HD2 ARG 15 2HD ARG 15 -17.256 -1.304 -0.420
125 HD3 ARG 15 1HD ARG 15 -17.570 -1.704 -2.103
126 HE ARG 15 HE ARG 15 -15.786 -3.581 -1.160
127 HH11 ARG 15 1HH1 ARG 15 -19.128 -2.646 -0.365
128 HH12 ARG 15 2HH1 ARG 15 -19.593 -4.225 0.066
129 HH21 ARG 15 1HH2 ARG 15 -16.477 -5.730 -0.525
130 HH22 ARG 15 2HH2 ARG 15 -18.090 -5.994 -0.045
131 H GLY 16 H GLY 16 -11.477 0.912 -1.661
132 HA2 GLY 16 2HA GLY 16 -12.589 2.907 -3.167
133 HA3 GLY 16 1HA GLY 16 -12.779 3.481 -1.516
134 H VAL 17 H VAL 17 -10.104 1.868 -0.999
135 HA VAL 17 HA VAL 17 -8.249 3.690 -2.262
136 HB VAL 17 HB VAL 17 -8.298 3.417 0.769
137 HG11 VAL 17 1HG1 VAL 17 -6.571 5.096 -1.038
138 HG12 VAL 17 2HG1 VAL 17 -6.073 3.661 -0.140
139 HG13 VAL 17 3HG1 VAL 17 -6.537 5.126 0.726
140 HG21 VAL 17 3HG2 VAL 17 -10.137 4.889 0.070
141 HG22 VAL 17 1HG2 VAL 17 -9.010 5.858 -0.878
142 HG23 VAL 17 2HG2 VAL 17 -8.862 5.808 0.874
143 H CYS 18 H CYS 18 -7.036 2.180 -3.153
144 HA CYS 18 HA CYS 18 -5.677 0.313 -1.376
145 HB2 CYS 18 2HB CYS 18 -7.509 -0.936 -2.549
146 HB3 CYS 18 1HB CYS 18 -6.812 -0.440 -4.086