Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
21189 | 2h8s RC | 7177 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1HT GLY 1 -6.268 7.784 -3.221
2 2H GLY 1 2HT GLY 1 -6.072 6.173 -3.701
3 3H GLY 1 3HT GLY 1 -5.465 7.422 -4.667
4 1HA GLY 1 1HA GLY 1 -3.569 7.543 -3.531
5 2HA GLY 1 2HA GLY 1 -4.440 7.547 -2.002
6 H CYS 2 H CYS 2 -1.976 6.086 -2.921
7 HA CYS 2 HA CYS 2 -2.559 3.352 -3.251
8 1HB CYS 2 2HB CYS 2 -0.384 4.230 -3.827
9 2HB CYS 2 1HB CYS 2 -0.097 4.729 -2.167
10 H CYS 3 H CYS 3 -1.657 5.171 -0.327
11 HA CYS 3 HA CYS 3 -1.690 3.065 1.481
12 1HB CYS 3 2HB CYS 3 -2.481 5.900 2.125
13 2HB CYS 3 1HB CYS 3 -1.679 4.733 3.175
14 H SER 4 H SER 4 -4.311 4.755 0.024
15 HA SER 4 HA SER 4 -6.327 4.224 1.938
16 1HB SER 4 2HB SER 4 -6.404 5.896 0.013
17 2HB SER 4 1HB SER 4 -6.739 4.528 -1.039
18 HG SER 4 HG SER 4 -8.470 4.163 0.734
19 H ASP 5 H ASP 5 -4.965 2.463 -0.745
20 HA ASP 5 HA ASP 5 -6.914 0.311 -0.521
21 1HB ASP 5 2HB ASP 5 -6.094 1.060 -2.755
22 2HB ASP 5 1HB ASP 5 -4.474 0.545 -2.306
23 HA PRO 6 HA PRO 6 -4.469 -1.693 2.606
24 1HB PRO 6 2HB PRO 6 -5.672 -4.171 2.326
25 2HB PRO 6 1HB PRO 6 -6.293 -2.850 3.319
26 1HG PRO 6 2HG PRO 6 -7.089 -3.690 0.567
27 2HG PRO 6 1HG PRO 6 -8.104 -3.119 1.905
28 1HD PRO 6 2HD PRO 6 -7.454 -1.525 -0.157
29 2HD PRO 6 1HD PRO 6 -7.607 -0.893 1.495
30 H ARG 7 H ARG 7 -4.929 -3.106 -0.599
31 HA ARG 7 HA ARG 7 -2.800 -4.993 -0.373
32 1HB ARG 7 2HB ARG 7 -4.035 -3.818 -2.871
33 2HB ARG 7 1HB ARG 7 -3.068 -5.283 -2.778
34 1HG ARG 7 2HG ARG 7 -4.759 -6.464 -1.669
35 2HG ARG 7 1HG ARG 7 -5.639 -4.987 -1.266
36 1HD ARG 7 2HD ARG 7 -5.232 -6.076 -4.050
37 2HD ARG 7 1HD ARG 7 -6.704 -6.248 -3.092
38 HE ARG 7 HE ARG 7 -6.071 -3.515 -3.254
39 1HH1 ARG 7 1HH1 ARG 7 -7.099 -6.128 -5.354
40 2HH1 ARG 7 2HH1 ARG 7 -7.959 -5.091 -6.439
41 1HH2 ARG 7 1HH2 ARG 7 -7.204 -2.143 -4.657
42 2HH2 ARG 7 2HH2 ARG 7 -8.020 -2.812 -6.046
43 H CYS 8 H CYS 8 -3.160 -1.834 -1.927
44 HA CYS 8 HA CYS 8 -0.503 -1.614 -2.866
45 1HB CYS 8 2HB CYS 8 -2.575 -0.185 -3.465
46 2HB CYS 8 1HB CYS 8 -2.172 0.754 -2.032
47 H ASN 9 H ASN 9 -2.039 -0.822 0.184
48 HA ASN 9 HA ASN 9 0.102 0.599 1.373
49 1HB ASN 9 2HB ASN 9 -2.372 0.424 2.116
50 2HB ASN 9 1HB ASN 9 -1.897 -1.084 2.882
51 1HD2 ASN 9 1HD2 ASN 9 -2.541 1.969 3.552
52 2HD2 ASN 9 2HD2 ASN 9 -1.471 2.244 4.885
53 H TYR 10 H TYR 10 -0.927 -2.788 1.562
54 HA TYR 10 HA TYR 10 1.164 -3.670 3.256
55 1HB TYR 10 2HB TYR 10 -0.998 -4.848 2.967
56 2HB TYR 10 1HB TYR 10 -0.531 -5.270 1.324
57 HD1 TYR 10 1HD TYR 10 -0.094 -7.526 1.174
58 HD2 TYR 10 2HD TYR 10 1.248 -5.415 4.617
59 HE1 TYR 10 1HE TYR 10 0.979 -9.575 2.007
60 HE2 TYR 10 2HE TYR 10 2.325 -7.459 5.456
61 HH TYR 10 HH TYR 10 3.256 -9.763 4.038
62 H ASP 11 H ASP 11 0.951 -3.135 -0.141
63 HA ASP 11 HA ASP 11 3.236 -4.777 -0.836
64 1HB ASP 11 2HB ASP 11 1.316 -4.428 -2.376
65 2HB ASP 11 1HB ASP 11 1.705 -2.721 -2.453
66 H HIS 12 H HIS 12 2.478 -1.391 -0.304
67 HA HIS 12 HA HIS 12 5.337 -0.734 -0.656
68 1HB HIS 12 2HB HIS 12 3.010 1.166 -1.012
69 2HB HIS 12 1HB HIS 12 4.697 1.451 -1.434
70 HD1 HIS 12 1HD HIS 12 2.036 1.375 -3.335
71 HD2 HIS 12 2HD HIS 12 5.071 -1.440 -3.091
72 HE1 HIS 12 1HE HIS 12 1.940 0.095 -5.490
73 HE2 HIS 12 2HE HIS 12 3.549 -1.812 -5.134
74 HA PRO 13 HA PRO 13 4.210 0.114 3.778
75 1HB PRO 13 2HB PRO 13 6.324 -1.143 4.887
76 2HB PRO 13 1HB PRO 13 4.847 -1.998 4.425
77 1HG PRO 13 2HG PRO 13 7.454 -1.799 2.972
78 2HG PRO 13 1HG PRO 13 6.411 -3.213 3.209
79 1HD PRO 13 2HD PRO 13 6.450 -1.753 0.909
80 2HD PRO 13 1HD PRO 13 5.017 -2.628 1.482
81 H GLU 14 H GLU 14 6.990 0.668 1.777
82 HA GLU 14 HA GLU 14 8.287 2.384 3.709
83 1HB GLU 14 2HB GLU 14 10.029 2.676 2.137
84 2HB GLU 14 1HB GLU 14 9.537 1.000 1.988
85 1HG GLU 14 2HG GLU 14 8.633 3.189 0.131
86 2HG GLU 14 1HG GLU 14 10.031 2.162 -0.162
87 H ILE 15 H ILE 15 6.385 2.712 0.771
88 HA ILE 15 HA ILE 15 6.524 5.574 0.700
89 HB ILE 15 HB ILE 15 4.531 3.737 -0.644
90 1HG1 ILE 15 2HG1 ILE 15 7.098 4.916 -1.735
91 2HG1 ILE 15 1HG1 ILE 15 6.901 3.242 -1.223
92 1HG2 ILE 15 1HG2 ILE 15 4.402 6.457 -0.383
93 2HG2 ILE 15 2HG2 ILE 15 3.647 5.520 -1.672
94 3HG2 ILE 15 3HG2 ILE 15 5.223 6.265 -1.932
95 1HD1 ILE 15 1HD1 ILE 15 5.303 4.533 -3.420
96 2HD1 ILE 15 2HD1 ILE 15 5.339 2.825 -2.982
97 3HD1 ILE 15 3HD1 ILE 15 6.771 3.588 -3.674
98 H CYS 16 H CYS 16 4.125 3.200 1.773
99 HA CYS 16 HA CYS 16 2.499 5.359 2.900
100 1HB CYS 16 2HB CYS 16 1.962 2.447 2.367
101 2HB CYS 16 1HB CYS 16 0.871 3.447 3.323
102 1HN NH2 17 1H CYS 16 5.095 4.246 3.988
103 2HN NH2 17 2H CYS 16 4.739 3.854 5.630
Start of MODEL 2
1 1H GLY 1 1HT GLY 1 -6.055 8.027 -3.233
2 2H GLY 1 2HT GLY 1 -5.863 6.456 -3.830
3 3H GLY 1 3HT GLY 1 -5.133 7.758 -4.626
4 1HA GLY 1 1HA GLY 1 -3.353 7.726 -3.312
5 2HA GLY 1 2HA GLY 1 -4.363 7.611 -1.875
6 H CYS 2 H CYS 2 -1.857 6.173 -2.662
7 HA CYS 2 HA CYS 2 -2.506 3.487 -3.289
8 1HB CYS 2 2HB CYS 2 -0.284 4.279 -3.712
9 2HB CYS 2 1HB CYS 2 -0.064 4.740 -2.029
10 H CYS 3 H CYS 3 -1.673 5.036 -0.196
11 HA CYS 3 HA CYS 3 -1.883 2.802 1.441
12 1HB CYS 3 2HB CYS 3 -2.630 5.561 2.364
13 2HB CYS 3 1HB CYS 3 -1.763 4.299 3.238
14 H SER 4 H SER 4 -4.341 4.616 -0.089
15 HA SER 4 HA SER 4 -6.497 4.183 1.679
16 1HB SER 4 2HB SER 4 -6.409 5.785 -0.303
17 2HB SER 4 1HB SER 4 -6.687 4.387 -1.333
18 HG SER 4 HG SER 4 -8.550 4.116 0.336
19 H ASP 5 H ASP 5 -5.002 2.314 -0.859
20 HA ASP 5 HA ASP 5 -6.966 0.165 -0.595
21 1HB ASP 5 2HB ASP 5 -6.415 0.482 -2.862
22 2HB ASP 5 1HB ASP 5 -4.707 0.714 -2.512
23 HA PRO 6 HA PRO 6 -4.532 -1.675 2.627
24 1HB PRO 6 2HB PRO 6 -5.680 -4.199 2.350
25 2HB PRO 6 1HB PRO 6 -6.303 -2.893 3.364
26 1HG PRO 6 2HG PRO 6 -7.153 -3.750 0.638
27 2HG PRO 6 1HG PRO 6 -8.134 -3.145 1.984
28 1HD PRO 6 2HD PRO 6 -7.513 -1.603 -0.131
29 2HD PRO 6 1HD PRO 6 -7.643 -0.931 1.507
30 H ARG 7 H ARG 7 -4.956 -3.177 -0.541
31 HA ARG 7 HA ARG 7 -2.800 -5.003 -0.312
32 1HB ARG 7 2HB ARG 7 -4.600 -5.233 -1.993
33 2HB ARG 7 1HB ARG 7 -4.012 -3.786 -2.800
34 1HG ARG 7 2HG ARG 7 -1.756 -5.263 -2.760
35 2HG ARG 7 1HG ARG 7 -2.977 -6.536 -2.854
36 1HD ARG 7 2HD ARG 7 -2.349 -5.915 -5.085
37 2HD ARG 7 1HD ARG 7 -3.989 -5.341 -4.783
38 HE ARG 7 HE ARG 7 -3.254 -3.182 -4.983
39 1HH1 ARG 7 1HH1 ARG 7 -0.466 -5.297 -4.689
40 2HH1 ARG 7 2HH1 ARG 7 0.694 -4.029 -4.951
41 1HH2 ARG 7 1HH2 ARG 7 -1.726 -1.518 -5.349
42 2HH2 ARG 7 2HH2 ARG 7 -0.032 -1.891 -5.343
43 H CYS 8 H CYS 8 -3.114 -1.866 -1.940
44 HA CYS 8 HA CYS 8 -0.441 -1.572 -2.757
45 1HB CYS 8 2HB CYS 8 -2.556 -0.196 -3.372
46 2HB CYS 8 1HB CYS 8 -2.174 0.754 -1.942
47 H ASN 9 H ASN 9 -2.080 -0.757 0.253
48 HA ASN 9 HA ASN 9 -0.002 0.708 1.479
49 1HB ASN 9 2HB ASN 9 -2.458 0.497 2.204
50 2HB ASN 9 1HB ASN 9 -1.996 -1.035 2.932
51 1HD2 ASN 9 1HD2 ASN 9 -1.414 -0.967 4.977
52 2HD2 ASN 9 2HD2 ASN 9 -0.834 0.422 5.820
53 H TYR 10 H TYR 10 -0.888 -2.710 1.609
54 HA TYR 10 HA TYR 10 1.281 -3.473 3.320
55 1HB TYR 10 2HB TYR 10 -0.892 -4.665 3.244
56 2HB TYR 10 1HB TYR 10 -0.547 -5.164 1.594
57 HD1 TYR 10 1HD TYR 10 1.466 -5.170 4.755
58 HD2 TYR 10 2HD TYR 10 -0.121 -7.426 1.515
59 HE1 TYR 10 1HE TYR 10 2.600 -7.178 5.605
60 HE2 TYR 10 2HE TYR 10 1.010 -9.441 2.357
61 HH TYR 10 HH TYR 10 3.416 -9.566 4.192
62 H ASP 11 H ASP 11 0.888 -2.953 0.000
63 HA ASP 11 HA ASP 11 3.026 -4.676 -0.916
64 1HB ASP 11 2HB ASP 11 0.944 -4.196 -2.210
65 2HB ASP 11 1HB ASP 11 1.445 -2.529 -2.354
66 H HIS 12 H HIS 12 2.484 -1.321 -0.140
67 HA HIS 12 HA HIS 12 5.320 -0.741 -0.734
68 1HB HIS 12 2HB HIS 12 3.018 1.216 -0.933
69 2HB HIS 12 1HB HIS 12 4.692 1.503 -1.397
70 HD1 HIS 12 1HD HIS 12 2.068 1.618 -3.257
71 HD2 HIS 12 2HD HIS 12 4.881 -1.423 -3.118
72 HE1 HIS 12 1HE HIS 12 1.849 0.398 -5.435
73 HE2 HIS 12 2HE HIS 12 3.358 -1.597 -5.178
74 HA PRO 13 HA PRO 13 4.456 -0.052 3.805
75 1HB PRO 13 2HB PRO 13 7.152 -1.209 4.053
76 2HB PRO 13 1HB PRO 13 5.655 -1.664 4.873
77 1HG PRO 13 2HG PRO 13 6.746 -3.219 2.979
78 2HG PRO 13 1HG PRO 13 4.988 -3.066 3.161
79 1HD PRO 13 2HD PRO 13 6.810 -1.749 1.178
80 2HD PRO 13 1HD PRO 13 5.207 -2.473 0.926
81 H GLU 14 H GLU 14 7.289 0.554 1.795
82 HA GLU 14 HA GLU 14 8.475 2.446 3.566
83 1HB GLU 14 2HB GLU 14 10.005 2.951 1.769
84 2HB GLU 14 1HB GLU 14 9.768 1.214 1.846
85 1HG GLU 14 2HG GLU 14 8.494 3.091 -0.135
86 2HG GLU 14 1HG GLU 14 9.840 2.005 -0.455
87 H ILE 15 H ILE 15 6.425 2.754 0.685
88 HA ILE 15 HA ILE 15 6.436 5.611 0.729
89 HB ILE 15 HB ILE 15 4.512 3.729 -0.653
90 1HG1 ILE 15 2HG1 ILE 15 6.959 5.145 -1.733
91 2HG1 ILE 15 1HG1 ILE 15 6.892 3.437 -1.315
92 1HG2 ILE 15 1HG2 ILE 15 4.199 6.414 -0.241
93 2HG2 ILE 15 2HG2 ILE 15 3.483 5.496 -1.566
94 3HG2 ILE 15 3HG2 ILE 15 4.998 6.365 -1.813
95 1HD1 ILE 15 1HD1 ILE 15 5.019 4.625 -3.326
96 2HD1 ILE 15 2HD1 ILE 15 5.484 2.939 -3.101
97 3HD1 ILE 15 3HD1 ILE 15 6.641 4.091 -3.768
98 H CYS 16 H CYS 16 4.099 3.132 1.724
99 HA CYS 16 HA CYS 16 2.477 5.200 3.011
100 1HB CYS 16 2HB CYS 16 1.952 2.308 2.349
101 2HB CYS 16 1HB CYS 16 0.872 3.262 3.362
102 1HN NH2 17 1H CYS 16 4.960 4.687 4.163
103 2HN NH2 17 2H CYS 16 4.723 3.951 5.707
Start of MODEL 3
1 1H GLY 1 1HT GLY 1 -5.149 8.776 -3.774
2 2H GLY 1 2HT GLY 1 -5.540 9.120 -2.166
3 3H GLY 1 3HT GLY 1 -5.946 7.617 -2.832
4 1HA GLY 1 1HA GLY 1 -3.139 8.219 -3.013
5 2HA GLY 1 2HA GLY 1 -3.735 8.115 -1.361
6 H CYS 2 H CYS 2 -1.974 6.313 -3.017
7 HA CYS 2 HA CYS 2 -3.376 3.941 -3.637
8 1HB CYS 2 2HB CYS 2 -0.916 4.769 -4.182
9 2HB CYS 2 1HB CYS 2 -0.525 3.835 -2.752
10 H CYS 3 H CYS 3 -1.892 5.138 -0.704
11 HA CYS 3 HA CYS 3 -1.797 2.859 0.862
12 1HB CYS 3 2HB CYS 3 -2.464 5.605 1.903
13 2HB CYS 3 1HB CYS 3 -1.522 4.336 2.687
14 H SER 4 H SER 4 -4.526 4.582 -0.242
15 HA SER 4 HA SER 4 -6.363 4.058 1.839
16 1HB SER 4 2HB SER 4 -6.616 5.658 -0.159
17 2HB SER 4 1HB SER 4 -7.076 4.237 -1.089
18 HG SER 4 HG SER 4 -8.628 3.947 0.802
19 H ASP 5 H ASP 5 -5.122 2.237 -0.839
20 HA ASP 5 HA ASP 5 -7.010 0.054 -0.448
21 1HB ASP 5 2HB ASP 5 -6.569 0.323 -2.728
22 2HB ASP 5 1HB ASP 5 -4.861 0.653 -2.459
23 HA PRO 6 HA PRO 6 -4.452 -1.862 2.614
24 1HB PRO 6 2HB PRO 6 -5.525 -4.398 2.309
25 2HB PRO 6 1HB PRO 6 -6.206 -3.125 3.326
26 1HG PRO 6 2HG PRO 6 -6.979 -3.969 0.568
27 2HG PRO 6 1HG PRO 6 -8.011 -3.466 1.922
28 1HD PRO 6 2HD PRO 6 -7.462 -1.814 -0.122
29 2HD PRO 6 1HD PRO 6 -7.625 -1.214 1.542
30 H ARG 7 H ARG 7 -4.838 -3.244 -0.634
31 HA ARG 7 HA ARG 7 -2.665 -5.048 -0.400
32 1HB ARG 7 2HB ARG 7 -4.339 -5.381 -2.132
33 2HB ARG 7 1HB ARG 7 -3.908 -3.846 -2.878
34 1HG ARG 7 2HG ARG 7 -2.945 -5.740 -4.084
35 2HG ARG 7 1HG ARG 7 -1.691 -4.700 -3.404
36 1HD ARG 7 2HD ARG 7 -2.067 -6.474 -1.379
37 2HD ARG 7 1HD ARG 7 -2.384 -7.490 -2.784
38 HE ARG 7 HE ARG 7 -0.021 -6.063 -3.258
39 1HH1 ARG 7 1HH1 ARG 7 -1.213 -8.575 -1.131
40 2HH1 ARG 7 2HH1 ARG 7 0.346 -9.283 -0.882
41 1HH2 ARG 7 1HH2 ARG 7 2.035 -6.968 -2.939
42 2HH2 ARG 7 2HH2 ARG 7 2.203 -8.368 -1.915
43 H CYS 8 H CYS 8 -2.919 -1.874 -1.988
44 HA CYS 8 HA CYS 8 -0.199 -1.655 -2.678
45 1HB CYS 8 2HB CYS 8 -2.108 -0.203 -3.523
46 2HB CYS 8 1HB CYS 8 -2.000 0.681 -2.005
47 H ASN 9 H ASN 9 -1.949 -0.891 0.259
48 HA ASN 9 HA ASN 9 0.088 0.567 1.577
49 1HB ASN 9 2HB ASN 9 -2.422 0.323 2.173
50 2HB ASN 9 1HB ASN 9 -1.947 -1.172 2.967
51 1HD2 ASN 9 1HD2 ASN 9 -2.655 1.915 3.537
52 2HD2 ASN 9 2HD2 ASN 9 -1.697 2.201 4.950
53 H TYR 10 H TYR 10 -0.880 -2.831 1.727
54 HA TYR 10 HA TYR 10 1.222 -3.651 3.469
55 1HB TYR 10 2HB TYR 10 -0.908 -4.845 3.342
56 2HB TYR 10 1HB TYR 10 -0.612 -5.238 1.653
57 HD1 TYR 10 1HD TYR 10 -0.157 -7.465 1.353
58 HD2 TYR 10 2HD TYR 10 1.380 -5.535 4.818
59 HE1 TYR 10 1HE TYR 10 0.934 -9.561 2.028
60 HE2 TYR 10 2HE TYR 10 2.479 -7.626 5.502
61 HH TYR 10 HH TYR 10 3.086 -9.698 4.813
62 H ASP 11 H ASP 11 0.979 -3.149 0.094
63 HA ASP 11 HA ASP 11 3.187 -4.882 -0.631
64 1HB ASP 11 2HB ASP 11 1.089 -4.308 -2.034
65 2HB ASP 11 1HB ASP 11 1.894 -2.792 -2.380
66 H HIS 12 H HIS 12 2.558 -1.466 -0.111
67 HA HIS 12 HA HIS 12 5.432 -0.919 -0.519
68 1HB HIS 12 2HB HIS 12 3.160 1.021 -1.011
69 2HB HIS 12 1HB HIS 12 4.864 1.261 -1.392
70 HD1 HIS 12 1HD HIS 12 2.312 1.207 -3.404
71 HD2 HIS 12 2HD HIS 12 5.179 -1.742 -2.891
72 HE1 HIS 12 1HE HIS 12 2.240 -0.173 -5.498
73 HE2 HIS 12 2HE HIS 12 3.804 -2.093 -5.027
74 HA PRO 13 HA PRO 13 4.238 0.104 3.874
75 1HB PRO 13 2HB PRO 13 6.500 -0.937 4.980
76 2HB PRO 13 1HB PRO 13 5.040 -1.886 4.676
77 1HG PRO 13 2HG PRO 13 7.550 -1.699 3.060
78 2HG PRO 13 1HG PRO 13 6.580 -3.128 3.462
79 1HD PRO 13 2HD PRO 13 6.429 -1.900 1.056
80 2HD PRO 13 1HD PRO 13 5.032 -2.699 1.808
81 H GLU 14 H GLU 14 7.171 0.552 1.995
82 HA GLU 14 HA GLU 14 8.287 2.529 3.738
83 1HB GLU 14 2HB GLU 14 9.966 2.870 2.035
84 2HB GLU 14 1HB GLU 14 9.684 1.148 2.226
85 1HG GLU 14 2HG GLU 14 8.624 2.887 0.007
86 2HG GLU 14 1HG GLU 14 9.956 1.746 -0.114
87 H ILE 15 H ILE 15 6.496 2.649 0.674
88 HA ILE 15 HA ILE 15 6.543 5.508 0.531
89 HB ILE 15 HB ILE 15 4.740 3.556 -0.915
90 1HG1 ILE 15 2HG1 ILE 15 7.313 4.858 -1.832
91 2HG1 ILE 15 1HG1 ILE 15 7.169 3.183 -1.308
92 1HG2 ILE 15 1HG2 ILE 15 3.958 5.260 -2.194
93 2HG2 ILE 15 2HG2 ILE 15 5.443 6.197 -2.049
94 3HG2 ILE 15 3HG2 ILE 15 4.284 6.174 -0.721
95 1HD1 ILE 15 1HD1 ILE 15 5.460 4.181 -3.537
96 2HD1 ILE 15 2HD1 ILE 15 6.042 2.549 -3.207
97 3HD1 ILE 15 3HD1 ILE 15 7.150 3.771 -3.836
98 H CYS 16 H CYS 16 4.125 3.100 1.477
99 HA CYS 16 HA CYS 16 2.361 5.241 2.403
100 1HB CYS 16 2HB CYS 16 1.955 2.314 1.860
101 2HB CYS 16 1HB CYS 16 0.776 3.251 2.777
102 1HN NH2 17 1H CYS 16 4.833 4.526 3.786
103 2HN NH2 17 2H CYS 16 4.376 4.057 5.385
Start of MODEL 4
1 1H GLY 1 1HT GLY 1 -5.577 8.322 -3.092
2 2H GLY 1 2HT GLY 1 -5.561 6.708 -3.599
3 3H GLY 1 3HT GLY 1 -4.732 7.881 -4.491
4 1HA GLY 1 1HA GLY 1 -2.927 7.775 -3.213
5 2HA GLY 1 2HA GLY 1 -3.900 7.790 -1.748
6 H CYS 2 H CYS 2 -1.545 6.126 -2.614
7 HA CYS 2 HA CYS 2 -2.394 3.486 -3.121
8 1HB CYS 2 2HB CYS 2 -0.122 4.121 -3.582
9 2HB CYS 2 1HB CYS 2 0.146 4.585 -1.908
10 H CYS 3 H CYS 3 -1.642 5.172 -0.102
11 HA CYS 3 HA CYS 3 -1.798 3.045 1.669
12 1HB CYS 3 2HB CYS 3 -2.820 5.731 2.481
13 2HB CYS 3 1HB CYS 3 -1.741 4.638 3.339
14 H SER 4 H SER 4 -4.317 4.782 0.063
15 HA SER 4 HA SER 4 -6.478 4.208 1.773
16 1HB SER 4 2HB SER 4 -6.421 5.872 -0.150
17 2HB SER 4 1HB SER 4 -6.628 4.500 -1.232
18 HG SER 4 HG SER 4 -8.514 4.082 0.344
19 H ASP 5 H ASP 5 -4.929 2.452 -0.822
20 HA ASP 5 HA ASP 5 -6.858 0.270 -0.658
21 1HB ASP 5 2HB ASP 5 -6.054 0.967 -2.882
22 2HB ASP 5 1HB ASP 5 -4.400 0.607 -2.400
23 HA PRO 6 HA PRO 6 -4.497 -1.683 2.550
24 1HB PRO 6 2HB PRO 6 -5.953 -4.104 1.666
25 2HB PRO 6 1HB PRO 6 -5.913 -3.333 3.255
26 1HG PRO 6 2HG PRO 6 -8.071 -3.177 1.670
27 2HG PRO 6 1HG PRO 6 -7.578 -1.845 2.721
28 1HD PRO 6 2HD PRO 6 -7.261 -2.139 -0.225
29 2HD PRO 6 1HD PRO 6 -7.608 -0.690 0.738
30 H ARG 7 H ARG 7 -4.955 -3.296 -0.560
31 HA ARG 7 HA ARG 7 -2.795 -5.107 -0.312
32 1HB ARG 7 2HB ARG 7 -4.828 -4.694 -2.132
33 2HB ARG 7 1HB ARG 7 -3.405 -4.216 -3.042
34 1HG ARG 7 2HG ARG 7 -3.537 -6.844 -1.603
35 2HG ARG 7 1HG ARG 7 -4.199 -6.636 -3.223
36 1HD ARG 7 2HD ARG 7 -2.081 -7.386 -3.696
37 2HD ARG 7 1HD ARG 7 -1.844 -5.641 -3.747
38 HE ARG 7 HE ARG 7 -1.327 -6.623 -1.148
39 1HH1 ARG 7 1HH1 ARG 7 0.043 -6.541 -4.364
40 2HH1 ARG 7 2HH1 ARG 7 1.689 -6.614 -3.807
41 1HH2 ARG 7 1HH2 ARG 7 0.859 -6.792 -0.421
42 2HH2 ARG 7 2HH2 ARG 7 2.142 -6.773 -1.589
43 H CYS 8 H CYS 8 -3.115 -1.965 -1.917
44 HA CYS 8 HA CYS 8 -0.433 -1.732 -2.789
45 1HB CYS 8 2HB CYS 8 -2.465 -0.329 -3.490
46 2HB CYS 8 1HB CYS 8 -2.201 0.594 -2.015
47 H ASN 9 H ASN 9 -2.082 -0.768 0.176
48 HA ASN 9 HA ASN 9 0.008 0.646 1.412
49 1HB ASN 9 2HB ASN 9 -2.425 0.548 2.138
50 2HB ASN 9 1HB ASN 9 -2.081 -1.039 2.809
51 1HD2 ASN 9 1HD2 ASN 9 -1.757 -1.011 4.897
52 2HD2 ASN 9 2HD2 ASN 9 -1.023 0.261 5.802
53 H TYR 10 H TYR 10 -0.953 -2.749 1.636
54 HA TYR 10 HA TYR 10 1.170 -3.491 3.391
55 1HB TYR 10 2HB TYR 10 -0.915 -4.977 1.831
56 2HB TYR 10 1HB TYR 10 0.412 -5.862 2.581
57 HD1 TYR 10 1HD TYR 10 -1.439 -2.892 3.875
58 HD2 TYR 10 2HD TYR 10 -0.606 -7.040 4.318
59 HE1 TYR 10 1HE TYR 10 -2.655 -2.900 6.008
60 HE2 TYR 10 2HE TYR 10 -1.823 -7.060 6.455
61 HH TYR 10 HH TYR 10 -2.990 -5.874 7.924
62 H ASP 11 H ASP 11 0.928 -3.063 0.015
63 HA ASP 11 HA ASP 11 3.133 -4.833 -0.651
64 1HB ASP 11 2HB ASP 11 1.107 -4.311 -2.139
65 2HB ASP 11 1HB ASP 11 1.868 -2.757 -2.439
66 H HIS 12 H HIS 12 2.516 -1.427 -0.158
67 HA HIS 12 HA HIS 12 5.369 -0.862 -0.652
68 1HB HIS 12 2HB HIS 12 3.039 1.048 -0.952
69 2HB HIS 12 1HB HIS 12 4.719 1.352 -1.397
70 HD1 HIS 12 1HD HIS 12 2.089 1.298 -3.303
71 HD2 HIS 12 2HD HIS 12 5.046 -1.596 -3.006
72 HE1 HIS 12 1HE HIS 12 1.974 -0.005 -5.446
73 HE2 HIS 12 2HE HIS 12 3.555 -1.935 -5.071
74 HA PRO 13 HA PRO 13 4.662 -0.071 3.846
75 1HB PRO 13 2HB PRO 13 7.504 -0.814 3.978
76 2HB PRO 13 1HB PRO 13 6.128 -1.483 4.859
77 1HG PRO 13 2HG PRO 13 7.376 -2.865 2.922
78 2HG PRO 13 1HG PRO 13 5.628 -2.997 3.192
79 1HD PRO 13 2HD PRO 13 7.110 -1.435 1.110
80 2HD PRO 13 1HD PRO 13 5.629 -2.402 0.949
81 H GLU 14 H GLU 14 7.364 0.829 1.755
82 HA GLU 14 HA GLU 14 8.271 2.968 3.406
83 1HB GLU 14 2HB GLU 14 9.726 3.561 1.565
84 2HB GLU 14 1HB GLU 14 9.734 1.818 1.775
85 1HG GLU 14 2HG GLU 14 8.201 3.331 -0.330
86 2HG GLU 14 1HG GLU 14 9.703 2.453 -0.582
87 H ILE 15 H ILE 15 6.167 2.778 0.572
88 HA ILE 15 HA ILE 15 5.834 5.608 0.353
89 HB ILE 15 HB ILE 15 4.157 3.385 -0.829
90 1HG1 ILE 15 2HG1 ILE 15 6.418 4.996 -2.041
91 2HG1 ILE 15 1HG1 ILE 15 6.541 3.323 -1.504
92 1HG2 ILE 15 1HG2 ILE 15 3.039 5.603 -0.720
93 2HG2 ILE 15 2HG2 ILE 15 3.309 5.024 -2.364
94 3HG2 ILE 15 3HG2 ILE 15 4.359 6.267 -1.684
95 1HD1 ILE 15 1HD1 ILE 15 4.865 4.383 -3.764
96 2HD1 ILE 15 2HD1 ILE 15 4.812 2.721 -3.177
97 3HD1 ILE 15 3HD1 ILE 15 6.298 3.361 -3.879
98 H CYS 16 H CYS 16 3.982 2.993 1.838
99 HA CYS 16 HA CYS 16 2.409 5.026 3.254
100 1HB CYS 16 2HB CYS 16 1.296 2.595 1.860
101 2HB CYS 16 1HB CYS 16 0.387 3.581 3.000
102 1HN NH2 17 1H CYS 16 2.982 1.521 3.055
103 2HN NH2 17 2H CYS 16 3.103 1.273 4.761
Start of MODEL 5
1 1H GLY 1 1HT GLY 1 -4.806 8.006 -4.553
2 2H GLY 1 2HT GLY 1 -5.684 8.358 -3.152
3 3H GLY 1 3HT GLY 1 -5.620 6.769 -3.728
4 1HA GLY 1 1HA GLY 1 -3.013 7.858 -3.263
5 2HA GLY 1 2HA GLY 1 -4.006 7.829 -1.810
6 H CYS 2 H CYS 2 -1.624 6.215 -2.610
7 HA CYS 2 HA CYS 2 -2.429 3.570 -3.217
8 1HB CYS 2 2HB CYS 2 -0.160 4.257 -3.618
9 2HB CYS 2 1HB CYS 2 0.071 4.680 -1.927
10 H CYS 3 H CYS 3 -1.731 5.186 -0.158
11 HA CYS 3 HA CYS 3 -1.898 3.037 1.579
12 1HB CYS 3 2HB CYS 3 -2.832 5.806 2.290
13 2HB CYS 3 1HB CYS 3 -1.987 4.637 3.302
14 H SER 4 H SER 4 -4.393 4.671 -0.105
15 HA SER 4 HA SER 4 -6.602 4.204 1.570
16 1HB SER 4 2HB SER 4 -6.695 5.751 -0.316
17 2HB SER 4 1HB SER 4 -6.405 4.434 -1.443
18 HG SER 4 HG SER 4 -8.419 3.529 -0.703
19 H ASP 5 H ASP 5 -5.063 2.340 -0.959
20 HA ASP 5 HA ASP 5 -6.928 0.118 -0.598
21 1HB ASP 5 2HB ASP 5 -6.317 0.704 -2.880
22 2HB ASP 5 1HB ASP 5 -4.607 0.547 -2.505
23 HA PRO 6 HA PRO 6 -4.347 -1.515 2.645
24 1HB PRO 6 2HB PRO 6 -5.507 -4.045 2.577
25 2HB PRO 6 1HB PRO 6 -6.077 -2.676 3.532
26 1HG PRO 6 2HG PRO 6 -7.051 -3.686 0.907
27 2HG PRO 6 1HG PRO 6 -7.971 -3.005 2.261
28 1HD PRO 6 2HD PRO 6 -7.458 -1.579 0.042
29 2HD PRO 6 1HD PRO 6 -7.489 -0.819 1.645
30 H ARG 7 H ARG 7 -4.848 -3.195 -0.422
31 HA ARG 7 HA ARG 7 -2.654 -4.989 -0.114
32 1HB ARG 7 2HB ARG 7 -4.258 -5.638 -1.709
33 2HB ARG 7 1HB ARG 7 -4.285 -4.049 -2.454
34 1HG ARG 7 2HG ARG 7 -1.800 -4.598 -3.045
35 2HG ARG 7 1HG ARG 7 -2.331 -6.264 -2.799
36 1HD ARG 7 2HD ARG 7 -2.508 -5.165 -5.162
37 2HD ARG 7 1HD ARG 7 -3.805 -6.200 -4.563
38 HE ARG 7 HE ARG 7 -4.247 -3.468 -3.848
39 1HH1 ARG 7 1HH1 ARG 7 -4.484 -5.710 -6.528
40 2HH1 ARG 7 2HH1 ARG 7 -5.786 -4.861 -7.288
41 1HH2 ARG 7 1HH2 ARG 7 -5.985 -2.365 -4.810
42 2HH2 ARG 7 2HH2 ARG 7 -6.629 -2.948 -6.314
43 H CYS 8 H CYS 8 -3.114 -1.870 -1.715
44 HA CYS 8 HA CYS 8 -0.491 -1.595 -2.746
45 1HB CYS 8 2HB CYS 8 -2.614 -0.211 -3.284
46 2HB CYS 8 1HB CYS 8 -2.204 0.724 -1.852
47 H ASN 9 H ASN 9 -1.990 -0.791 0.318
48 HA ASN 9 HA ASN 9 0.169 0.622 1.483
49 1HB ASN 9 2HB ASN 9 -2.238 0.600 2.262
50 2HB ASN 9 1HB ASN 9 -1.958 -1.019 2.880
51 1HD2 ASN 9 1HD2 ASN 9 0.883 0.581 3.335
52 2HD2 ASN 9 2HD2 ASN 9 0.619 1.172 4.938
53 H TYR 10 H TYR 10 -0.837 -2.753 1.575
54 HA TYR 10 HA TYR 10 1.201 -3.675 3.319
55 1HB TYR 10 2HB TYR 10 -0.953 -4.810 3.007
56 2HB TYR 10 1HB TYR 10 -0.528 -5.169 1.340
57 HD1 TYR 10 1HD TYR 10 -0.168 -7.412 1.060
58 HD2 TYR 10 2HD TYR 10 1.271 -5.552 4.604
59 HE1 TYR 10 1HE TYR 10 0.807 -9.549 1.776
60 HE2 TYR 10 2HE TYR 10 2.254 -7.687 5.329
61 HH TYR 10 HH TYR 10 3.094 -9.882 3.974
62 H ASP 11 H ASP 11 0.992 -3.269 -0.125
63 HA ASP 11 HA ASP 11 3.355 -4.848 -0.698
64 1HB ASP 11 2HB ASP 11 1.413 -4.724 -2.244
65 2HB ASP 11 1HB ASP 11 1.736 -3.021 -2.489
66 H HIS 12 H HIS 12 2.455 -1.517 -0.304
67 HA HIS 12 HA HIS 12 5.251 -0.705 -0.802
68 1HB HIS 12 2HB HIS 12 2.774 1.025 -1.043
69 2HB HIS 12 1HB HIS 12 4.422 1.469 -1.491
70 HD1 HIS 12 1HD HIS 12 1.836 1.310 -3.410
71 HD2 HIS 12 2HD HIS 12 4.913 -1.459 -3.146
72 HE1 HIS 12 1HE HIS 12 1.790 0.044 -5.577
73 HE2 HIS 12 2HE HIS 12 3.447 -1.825 -5.222
74 HA PRO 13 HA PRO 13 4.363 -0.058 3.701
75 1HB PRO 13 2HB PRO 13 7.041 -1.135 4.095
76 2HB PRO 13 1HB PRO 13 5.497 -1.732 4.710
77 1HG PRO 13 2HG PRO 13 6.928 -3.050 2.823
78 2HG PRO 13 1HG PRO 13 5.157 -3.105 2.901
79 1HD PRO 13 2HD PRO 13 6.925 -1.463 1.125
80 2HD PRO 13 1HD PRO 13 5.437 -2.349 0.723
81 H GLU 14 H GLU 14 7.095 0.747 1.658
82 HA GLU 14 HA GLU 14 8.175 2.646 3.542
83 1HB GLU 14 2HB GLU 14 9.841 3.132 1.914
84 2HB GLU 14 1HB GLU 14 9.579 1.401 1.855
85 1HG GLU 14 2HG GLU 14 8.341 3.348 -0.077
86 2HG GLU 14 1HG GLU 14 9.870 2.525 -0.361
87 H ILE 15 H ILE 15 6.187 2.673 0.664
88 HA ILE 15 HA ILE 15 6.022 5.506 0.402
89 HB ILE 15 HB ILE 15 4.113 3.395 -0.624
90 1HG1 ILE 15 2HG1 ILE 15 6.430 3.020 -1.387
91 2HG1 ILE 15 1HG1 ILE 15 5.372 3.489 -2.712
92 1HG2 ILE 15 1HG2 ILE 15 3.250 4.993 -2.100
93 2HG2 ILE 15 2HG2 ILE 15 4.578 6.115 -1.796
94 3HG2 ILE 15 3HG2 ILE 15 3.362 5.831 -0.550
95 1HD1 ILE 15 1HD1 ILE 15 6.414 5.887 -1.810
96 2HD1 ILE 15 2HD1 ILE 15 6.914 4.988 -3.242
97 3HD1 ILE 15 3HD1 ILE 15 7.766 4.759 -1.715
98 H CYS 16 H CYS 16 3.930 3.033 1.836
99 HA CYS 16 HA CYS 16 2.410 5.191 3.146
100 1HB CYS 16 2HB CYS 16 1.532 2.446 2.262
101 2HB CYS 16 1HB CYS 16 0.569 3.482 3.313
102 1HN NH2 17 1H CYS 16 4.737 4.469 4.313
103 2HN NH2 17 2H CYS 16 4.450 3.534 5.737
Start of MODEL 6
1 1H GLY 1 1HT GLY 1 -5.645 6.253 -3.817
2 2H GLY 1 2HT GLY 1 -4.908 7.546 -4.623
3 3H GLY 1 3HT GLY 1 -5.862 7.834 -3.256
4 1HA GLY 1 1HA GLY 1 -3.152 7.540 -3.279
5 2HA GLY 1 2HA GLY 1 -4.189 7.475 -1.860
6 H CYS 2 H CYS 2 -1.671 6.009 -2.574
7 HA CYS 2 HA CYS 2 -2.285 3.308 -3.128
8 1HB CYS 2 2HB CYS 2 -0.047 4.218 -3.453
9 2HB CYS 2 1HB CYS 2 0.103 4.529 -1.729
10 H CYS 3 H CYS 3 -1.601 4.964 -0.061
11 HA CYS 3 HA CYS 3 -1.867 2.778 1.644
12 1HB CYS 3 2HB CYS 3 -2.662 5.539 2.492
13 2HB CYS 3 1HB CYS 3 -1.738 4.324 3.373
14 H SER 4 H SER 4 -4.263 4.634 0.025
15 HA SER 4 HA SER 4 -6.468 4.252 1.728
16 1HB SER 4 2HB SER 4 -6.294 5.826 -0.268
17 2HB SER 4 1HB SER 4 -6.576 4.419 -1.288
18 HG SER 4 HG SER 4 -8.488 4.211 0.334
19 H ASP 5 H ASP 5 -4.976 2.306 -0.758
20 HA ASP 5 HA ASP 5 -6.995 0.210 -0.429
21 1HB ASP 5 2HB ASP 5 -6.585 0.500 -2.718
22 2HB ASP 5 1HB ASP 5 -4.857 0.735 -2.476
23 HA PRO 6 HA PRO 6 -4.413 -1.759 2.585
24 1HB PRO 6 2HB PRO 6 -5.593 -4.259 2.346
25 2HB PRO 6 1HB PRO 6 -6.179 -2.953 3.379
26 1HG PRO 6 2HG PRO 6 -7.107 -3.790 0.670
27 2HG PRO 6 1HG PRO 6 -8.054 -3.221 2.056
28 1HD PRO 6 2HD PRO 6 -7.516 -1.629 -0.042
29 2HD PRO 6 1HD PRO 6 -7.594 -0.996 1.615
30 H ARG 7 H ARG 7 -4.961 -3.143 -0.626
31 HA ARG 7 HA ARG 7 -2.854 -5.042 -0.497
32 1HB ARG 7 2HB ARG 7 -4.668 -5.205 -2.142
33 2HB ARG 7 1HB ARG 7 -4.127 -3.716 -2.899
34 1HG ARG 7 2HG ARG 7 -3.385 -5.522 -4.247
35 2HG ARG 7 1HG ARG 7 -1.970 -4.858 -3.429
36 1HD ARG 7 2HD ARG 7 -3.434 -7.144 -2.187
37 2HD ARG 7 1HD ARG 7 -2.371 -7.453 -3.556
38 HE ARG 7 HE ARG 7 -1.594 -6.909 -0.872
39 1HH1 ARG 7 1HH1 ARG 7 -0.582 -6.455 -4.201
40 2HH1 ARG 7 2HH1 ARG 7 1.106 -6.307 -3.798
41 1HH2 ARG 7 1HH2 ARG 7 0.654 -6.743 -0.372
42 2HH2 ARG 7 2HH2 ARG 7 1.793 -6.472 -1.657
43 H CYS 8 H CYS 8 -3.081 -1.869 -2.074
44 HA CYS 8 HA CYS 8 -0.377 -1.677 -2.832
45 1HB CYS 8 2HB CYS 8 -2.363 -0.256 -3.612
46 2HB CYS 8 1HB CYS 8 -2.137 0.678 -2.138
47 H ASN 9 H ASN 9 -2.089 -0.716 0.100
48 HA ASN 9 HA ASN 9 -0.020 0.706 1.368
49 1HB ASN 9 2HB ASN 9 -2.481 0.545 2.058
50 2HB ASN 9 1HB ASN 9 -2.075 -1.008 2.777
51 1HD2 ASN 9 1HD2 ASN 9 -1.651 -0.940 4.853
52 2HD2 ASN 9 2HD2 ASN 9 -1.007 0.407 5.719
53 H TYR 10 H TYR 10 -0.975 -2.692 1.580
54 HA TYR 10 HA TYR 10 1.148 -3.462 3.325
55 1HB TYR 10 2HB TYR 10 -0.986 -4.675 3.229
56 2HB TYR 10 1HB TYR 10 -0.669 -5.122 1.557
57 HD1 TYR 10 1HD TYR 10 1.328 -5.267 4.727
58 HD2 TYR 10 2HD TYR 10 -0.203 -7.360 1.353
59 HE1 TYR 10 1HE TYR 10 2.459 -7.313 5.490
60 HE2 TYR 10 2HE TYR 10 0.923 -9.411 2.107
61 HH TYR 10 HH TYR 10 3.161 -9.400 4.790
62 H ASP 11 H ASP 11 0.868 -2.993 -0.049
63 HA ASP 11 HA ASP 11 3.062 -4.738 -0.779
64 1HB ASP 11 2HB ASP 11 0.954 -4.035 -2.179
65 2HB ASP 11 1HB ASP 11 1.917 -2.621 -2.570
66 H HIS 12 H HIS 12 2.471 -1.297 -0.310
67 HA HIS 12 HA HIS 12 5.363 -0.826 -0.688
68 1HB HIS 12 2HB HIS 12 3.183 1.187 -1.268
69 2HB HIS 12 1HB HIS 12 4.889 1.297 -1.691
70 HD1 HIS 12 1HD HIS 12 2.162 1.209 -3.560
71 HD2 HIS 12 2HD HIS 12 5.112 -1.678 -3.147
72 HE1 HIS 12 1HE HIS 12 2.014 -0.206 -5.629
73 HE2 HIS 12 2HE HIS 12 3.585 -2.124 -5.168
74 HA PRO 13 HA PRO 13 3.974 0.493 3.645
75 1HB PRO 13 2HB PRO 13 6.416 -0.986 4.404
76 2HB PRO 13 1HB PRO 13 4.791 -1.077 5.091
77 1HG PRO 13 2HG PRO 13 5.787 -3.065 3.598
78 2HG PRO 13 1HG PRO 13 4.073 -2.617 3.523
79 1HD PRO 13 2HD PRO 13 6.293 -1.945 1.625
80 2HD PRO 13 1HD PRO 13 4.623 -2.437 1.274
81 H GLU 14 H GLU 14 6.873 0.442 1.777
82 HA GLU 14 HA GLU 14 8.516 2.181 3.243
83 1HB GLU 14 2HB GLU 14 9.569 2.578 0.955
84 2HB GLU 14 1HB GLU 14 9.500 0.906 1.499
85 1HG GLU 14 2HG GLU 14 7.499 0.552 0.131
86 2HG GLU 14 1HG GLU 14 7.592 2.219 -0.426
87 H ILE 15 H ILE 15 6.163 2.772 0.671
88 HA ILE 15 HA ILE 15 6.527 5.622 0.713
89 HB ILE 15 HB ILE 15 4.319 3.999 -0.566
90 1HG1 ILE 15 2HG1 ILE 15 6.504 3.327 -1.430
91 2HG1 ILE 15 1HG1 ILE 15 5.615 4.230 -2.652
92 1HG2 ILE 15 1HG2 ILE 15 4.789 6.347 -2.014
93 2HG2 ILE 15 2HG2 ILE 15 4.753 6.829 -0.317
94 3HG2 ILE 15 3HG2 ILE 15 3.386 5.961 -1.017
95 1HD1 ILE 15 1HD1 ILE 15 6.954 6.260 -1.759
96 2HD1 ILE 15 2HD1 ILE 15 7.739 5.097 -2.828
97 3HD1 ILE 15 3HD1 ILE 15 8.025 5.030 -1.088
98 H CYS 16 H CYS 16 4.026 3.342 1.755
99 HA CYS 16 HA CYS 16 2.563 5.463 3.100
100 1HB CYS 16 2HB CYS 16 2.011 2.521 2.721
101 2HB CYS 16 1HB CYS 16 0.964 3.598 3.642
102 1HN NH2 17 1H CYS 16 4.928 5.370 4.266
103 2HN NH2 17 2H CYS 16 4.865 4.599 5.812
Start of MODEL 7
1 1H GLY 1 1HT GLY 1 -5.415 7.218 -4.723
2 2H GLY 1 2HT GLY 1 -6.233 7.598 -3.291
3 3H GLY 1 3HT GLY 1 -6.004 5.979 -3.730
4 1HA GLY 1 1HA GLY 1 -3.528 7.399 -3.581
5 2HA GLY 1 2HA GLY 1 -4.406 7.428 -2.057
6 H CYS 2 H CYS 2 -1.912 5.988 -2.916
7 HA CYS 2 HA CYS 2 -2.433 3.239 -3.194
8 1HB CYS 2 2HB CYS 2 -0.260 4.214 -3.727
9 2HB CYS 2 1HB CYS 2 -0.016 4.646 -2.039
10 H CYS 3 H CYS 3 -1.595 5.121 -0.289
11 HA CYS 3 HA CYS 3 -1.667 3.042 1.555
12 1HB CYS 3 2HB CYS 3 -2.428 5.901 2.134
13 2HB CYS 3 1HB CYS 3 -1.661 4.742 3.220
14 H SER 4 H SER 4 -4.248 4.770 0.056
15 HA SER 4 HA SER 4 -6.288 4.295 1.951
16 1HB SER 4 2HB SER 4 -6.334 5.936 0.008
17 2HB SER 4 1HB SER 4 -6.653 4.559 -1.038
18 HG SER 4 HG SER 4 -8.409 4.245 0.760
19 H ASP 5 H ASP 5 -4.969 2.474 -0.726
20 HA ASP 5 HA ASP 5 -6.939 0.348 -0.426
21 1HB ASP 5 2HB ASP 5 -6.264 0.932 -2.696
22 2HB ASP 5 1HB ASP 5 -4.573 0.641 -2.296
23 HA PRO 6 HA PRO 6 -4.443 -1.717 2.616
24 1HB PRO 6 2HB PRO 6 -5.627 -4.197 2.318
25 2HB PRO 6 1HB PRO 6 -6.256 -2.893 3.328
26 1HG PRO 6 2HG PRO 6 -7.058 -3.711 0.570
27 2HG PRO 6 1HG PRO 6 -8.072 -3.174 1.922
28 1HD PRO 6 2HD PRO 6 -7.456 -1.541 -0.123
29 2HD PRO 6 1HD PRO 6 -7.611 -0.937 1.541
30 H ARG 7 H ARG 7 -4.952 -3.118 -0.595
31 HA ARG 7 HA ARG 7 -2.832 -4.996 -0.445
32 1HB ARG 7 2HB ARG 7 -4.127 -3.731 -2.865
33 2HB ARG 7 1HB ARG 7 -3.064 -5.131 -2.900
34 1HG ARG 7 2HG ARG 7 -4.641 -6.511 -1.900
35 2HG ARG 7 1HG ARG 7 -5.567 -5.150 -1.262
36 1HD ARG 7 2HD ARG 7 -5.293 -5.844 -4.185
37 2HD ARG 7 1HD ARG 7 -6.676 -6.256 -3.173
38 HE ARG 7 HE ARG 7 -6.228 -3.487 -2.994
39 1HH1 ARG 7 1HH1 ARG 7 -7.266 -5.845 -5.371
40 2HH1 ARG 7 2HH1 ARG 7 -8.286 -4.729 -6.212
41 1HH2 ARG 7 1HH2 ARG 7 -7.561 -2.035 -4.054
42 2HH2 ARG 7 2HH2 ARG 7 -8.455 -2.536 -5.464
43 H CYS 8 H CYS 8 -3.109 -1.833 -2.027
44 HA CYS 8 HA CYS 8 -0.430 -1.650 -2.879
45 1HB CYS 8 2HB CYS 8 -2.457 -0.207 -3.555
46 2HB CYS 8 1HB CYS 8 -2.113 0.733 -2.108
47 H ASN 9 H ASN 9 -2.022 -0.803 0.133
48 HA ASN 9 HA ASN 9 0.093 0.622 1.351
49 1HB ASN 9 2HB ASN 9 -2.383 0.429 2.070
50 2HB ASN 9 1HB ASN 9 -1.910 -1.085 2.828
51 1HD2 ASN 9 1HD2 ASN 9 -2.580 1.953 3.525
52 2HD2 ASN 9 2HD2 ASN 9 -1.528 2.219 4.872
53 H TYR 10 H TYR 10 -0.917 -2.765 1.565
54 HA TYR 10 HA TYR 10 1.173 -3.626 3.268
55 1HB TYR 10 2HB TYR 10 -0.986 -4.808 2.993
56 2HB TYR 10 1HB TYR 10 -0.524 -5.242 1.352
57 HD1 TYR 10 1HD TYR 10 -0.085 -7.499 1.214
58 HD2 TYR 10 2HD TYR 10 1.257 -5.368 4.643
59 HE1 TYR 10 1HE TYR 10 0.986 -9.544 2.059
60 HE2 TYR 10 2HE TYR 10 2.334 -7.407 5.496
61 HH TYR 10 HH TYR 10 3.266 -9.715 4.102
62 H ASP 11 H ASP 11 0.955 -3.166 -0.146
63 HA ASP 11 HA ASP 11 3.258 -4.802 -0.788
64 1HB ASP 11 2HB ASP 11 1.337 -4.527 -2.343
65 2HB ASP 11 1HB ASP 11 1.708 -2.821 -2.478
66 H HIS 12 H HIS 12 2.470 -1.391 -0.414
67 HA HIS 12 HA HIS 12 5.340 -0.761 -0.735
68 1HB HIS 12 2HB HIS 12 3.057 1.143 -1.269
69 2HB HIS 12 1HB HIS 12 4.752 1.355 -1.691
70 HD1 HIS 12 1HD HIS 12 2.056 1.182 -3.576
71 HD2 HIS 12 2HD HIS 12 5.112 -1.598 -3.192
72 HE1 HIS 12 1HE HIS 12 1.975 -0.203 -5.668
73 HE2 HIS 12 2HE HIS 12 3.592 -2.081 -5.213
74 HA PRO 13 HA PRO 13 3.883 0.432 3.611
75 1HB PRO 13 2HB PRO 13 6.285 -1.058 4.435
76 2HB PRO 13 1HB PRO 13 4.627 -1.188 5.028
77 1HG PRO 13 2HG PRO 13 5.740 -3.114 3.529
78 2HG PRO 13 1HG PRO 13 4.019 -2.702 3.396
79 1HD PRO 13 2HD PRO 13 6.301 -1.916 1.617
80 2HD PRO 13 1HD PRO 13 4.664 -2.448 1.179
81 H GLU 14 H GLU 14 6.880 0.414 1.859
82 HA GLU 14 HA GLU 14 8.410 2.125 3.480
83 1HB GLU 14 2HB GLU 14 9.700 2.538 1.365
84 2HB GLU 14 1HB GLU 14 9.479 0.838 1.759
85 1HG GLU 14 2HG GLU 14 7.595 0.754 0.162
86 2HG GLU 14 1HG GLU 14 7.934 2.426 -0.279
87 H ILE 15 H ILE 15 6.231 2.768 0.773
88 HA ILE 15 HA ILE 15 6.597 5.615 0.889
89 HB ILE 15 HB ILE 15 4.452 4.028 -0.540
90 1HG1 ILE 15 2HG1 ILE 15 7.081 5.090 -1.604
91 2HG1 ILE 15 1HG1 ILE 15 6.761 3.402 -1.220
92 1HG2 ILE 15 1HG2 ILE 15 4.033 5.974 -1.832
93 2HG2 ILE 15 2HG2 ILE 15 5.439 6.803 -1.163
94 3HG2 ILE 15 3HG2 ILE 15 4.036 6.482 -0.142
95 1HD1 ILE 15 1HD1 ILE 15 6.594 4.217 -3.666
96 2HD1 ILE 15 2HD1 ILE 15 5.022 4.843 -3.169
97 3HD1 ILE 15 3HD1 ILE 15 5.366 3.120 -3.033
98 H CYS 16 H CYS 16 4.066 3.312 1.786
99 HA CYS 16 HA CYS 16 2.493 5.406 3.038
100 1HB CYS 16 2HB CYS 16 2.035 2.458 2.614
101 2HB CYS 16 1HB CYS 16 0.919 3.490 3.510
102 1HN NH2 17 1H CYS 16 4.949 5.118 4.255
103 2HN NH2 17 2H CYS 16 4.741 4.455 5.837
Start of MODEL 8
1 1H GLY 1 1HT GLY 1 -4.435 9.063 -3.452
2 2H GLY 1 2HT GLY 1 -4.861 9.370 -1.844
3 3H GLY 1 3HT GLY 1 -5.414 7.967 -2.614
4 1HA GLY 1 1HA GLY 1 -2.548 8.231 -2.629
5 2HA GLY 1 2HA GLY 1 -3.243 8.097 -1.019
6 H CYS 2 H CYS 2 -1.616 6.201 -2.708
7 HA CYS 2 HA CYS 2 -3.274 4.057 -3.531
8 1HB CYS 2 2HB CYS 2 -0.713 4.618 -3.968
9 2HB CYS 2 1HB CYS 2 -0.483 3.550 -2.597
10 H CYS 3 H CYS 3 -1.913 4.999 -0.491
11 HA CYS 3 HA CYS 3 -1.996 2.654 0.983
12 1HB CYS 3 2HB CYS 3 -2.694 5.312 2.182
13 2HB CYS 3 1HB CYS 3 -1.690 4.021 2.845
14 H SER 4 H SER 4 -4.576 4.533 -0.231
15 HA SER 4 HA SER 4 -6.588 4.039 1.669
16 1HB SER 4 2HB SER 4 -6.657 5.624 -0.347
17 2HB SER 4 1HB SER 4 -7.037 4.205 -1.317
18 HG SER 4 HG SER 4 -8.762 3.930 0.422
19 H ASP 5 H ASP 5 -5.192 2.181 -0.907
20 HA ASP 5 HA ASP 5 -7.089 -0.006 -0.511
21 1HB ASP 5 2HB ASP 5 -6.671 0.435 -2.822
22 2HB ASP 5 1HB ASP 5 -4.931 0.498 -2.566
23 HA PRO 6 HA PRO 6 -4.394 -1.760 2.537
24 1HB PRO 6 2HB PRO 6 -5.490 -4.298 2.431
25 2HB PRO 6 1HB PRO 6 -6.122 -2.958 3.391
26 1HG PRO 6 2HG PRO 6 -7.003 -3.958 0.715
27 2HG PRO 6 1HG PRO 6 -7.983 -3.384 2.078
28 1HD PRO 6 2HD PRO 6 -7.525 -1.837 -0.062
29 2HD PRO 6 1HD PRO 6 -7.602 -1.153 1.575
30 H ARG 7 H ARG 7 -4.858 -3.277 -0.613
31 HA ARG 7 HA ARG 7 -2.753 -5.161 -0.387
32 1HB ARG 7 2HB ARG 7 -3.716 -3.910 -2.958
33 2HB ARG 7 1HB ARG 7 -2.992 -5.496 -2.740
34 1HG ARG 7 2HG ARG 7 -4.951 -6.306 -1.626
35 2HG ARG 7 1HG ARG 7 -5.664 -4.691 -1.613
36 1HD ARG 7 2HD ARG 7 -5.747 -4.697 -4.051
37 2HD ARG 7 1HD ARG 7 -5.001 -6.294 -4.082
38 HE ARG 7 HE ARG 7 -7.028 -7.219 -3.595
39 1HH1 ARG 7 1HH1 ARG 7 -7.233 -3.750 -3.022
40 2HH1 ARG 7 2HH1 ARG 7 -8.925 -3.807 -2.646
41 1HH2 ARG 7 1HH2 ARG 7 -9.257 -7.264 -3.094
42 2HH2 ARG 7 2HH2 ARG 7 -10.074 -5.793 -2.687
43 H CYS 8 H CYS 8 -2.966 -1.995 -1.971
44 HA CYS 8 HA CYS 8 -0.245 -1.825 -2.714
45 1HB CYS 8 2HB CYS 8 -2.168 -0.392 -3.574
46 2HB CYS 8 1HB CYS 8 -2.023 0.538 -2.087
47 H ASN 9 H ASN 9 -1.992 -0.918 0.190
48 HA ASN 9 HA ASN 9 0.079 0.538 1.451
49 1HB ASN 9 2HB ASN 9 -2.399 0.475 2.077
50 2HB ASN 9 1HB ASN 9 -2.060 -1.064 2.859
51 1HD2 ASN 9 1HD2 ASN 9 -1.678 -0.940 4.940
52 2HD2 ASN 9 2HD2 ASN 9 -1.016 0.418 5.775
53 H TYR 10 H TYR 10 -0.903 -2.852 1.618
54 HA TYR 10 HA TYR 10 1.081 -3.620 3.519
55 1HB TYR 10 2HB TYR 10 -1.063 -4.821 3.211
56 2HB TYR 10 1HB TYR 10 -0.534 -5.329 1.613
57 HD1 TYR 10 1HD TYR 10 1.113 -5.298 4.976
58 HD2 TYR 10 2HD TYR 10 -0.085 -7.587 1.595
59 HE1 TYR 10 1HE TYR 10 2.161 -7.291 5.962
60 HE2 TYR 10 2HE TYR 10 0.959 -9.586 2.573
61 HH TYR 10 HH TYR 10 3.156 -9.649 4.721
62 H ASP 11 H ASP 11 0.996 -3.311 0.085
63 HA ASP 11 HA ASP 11 3.320 -4.970 -0.402
64 1HB ASP 11 2HB ASP 11 1.451 -4.768 -2.029
65 2HB ASP 11 1HB ASP 11 1.829 -3.067 -2.230
66 H HIS 12 H HIS 12 2.524 -1.543 -0.212
67 HA HIS 12 HA HIS 12 5.393 -0.919 -0.522
68 1HB HIS 12 2HB HIS 12 3.072 0.924 -1.119
69 2HB HIS 12 1HB HIS 12 4.772 1.201 -1.492
70 HD1 HIS 12 1HD HIS 12 2.236 0.959 -3.518
71 HD2 HIS 12 2HD HIS 12 5.223 -1.841 -2.862
72 HE1 HIS 12 1HE HIS 12 2.231 -0.515 -5.547
73 HE2 HIS 12 2HE HIS 12 3.805 -2.386 -4.939
74 HA PRO 13 HA PRO 13 4.205 0.303 3.797
75 1HB PRO 13 2HB PRO 13 6.743 -0.916 4.548
76 2HB PRO 13 1HB PRO 13 5.114 -1.312 5.098
77 1HG PRO 13 2HG PRO 13 6.565 -2.963 3.516
78 2HG PRO 13 1HG PRO 13 4.794 -2.877 3.447
79 1HD PRO 13 2HD PRO 13 6.826 -1.613 1.640
80 2HD PRO 13 1HD PRO 13 5.303 -2.427 1.224
81 H GLU 14 H GLU 14 7.011 0.735 1.786
82 HA GLU 14 HA GLU 14 8.231 2.671 3.548
83 1HB GLU 14 2HB GLU 14 9.971 2.871 1.960
84 2HB GLU 14 1HB GLU 14 9.527 1.175 1.956
85 1HG GLU 14 2HG GLU 14 8.577 3.169 -0.087
86 2HG GLU 14 1HG GLU 14 10.000 2.156 -0.286
87 H ILE 15 H ILE 15 6.356 2.691 0.566
88 HA ILE 15 HA ILE 15 6.410 5.537 0.258
89 HB ILE 15 HB ILE 15 4.467 3.539 -0.927
90 1HG1 ILE 15 2HG1 ILE 15 7.008 4.688 -2.108
91 2HG1 ILE 15 1HG1 ILE 15 6.848 3.058 -1.464
92 1HG2 ILE 15 1HG2 ILE 15 5.137 6.382 -1.677
93 2HG2 ILE 15 2HG2 ILE 15 3.594 5.772 -1.075
94 3HG2 ILE 15 3HG2 ILE 15 4.174 5.288 -2.671
95 1HD1 ILE 15 1HD1 ILE 15 5.842 2.300 -3.311
96 2HD1 ILE 15 2HD1 ILE 15 6.543 3.732 -4.065
97 3HD1 ILE 15 3HD1 ILE 15 4.871 3.759 -3.506
98 H CYS 16 H CYS 16 4.092 3.196 1.541
99 HA CYS 16 HA CYS 16 2.394 5.381 2.490
100 1HB CYS 16 2HB CYS 16 1.968 2.417 2.200
101 2HB CYS 16 1HB CYS 16 0.854 3.436 3.105
102 1HN NH2 17 1H CYS 16 5.006 4.699 3.664
103 2HN NH2 17 2H CYS 16 4.699 4.347 5.326
Start of MODEL 9
1 1H GLY 1 1HT GLY 1 -5.010 7.597 -4.559
2 2H GLY 1 2HT GLY 1 -5.920 7.923 -3.170
3 3H GLY 1 3HT GLY 1 -5.746 6.329 -3.711
4 1HA GLY 1 1HA GLY 1 -3.222 7.598 -3.254
5 2HA GLY 1 2HA GLY 1 -4.221 7.534 -1.808
6 H CYS 2 H CYS 2 -1.731 6.056 -2.583
7 HA CYS 2 HA CYS 2 -2.380 3.361 -3.130
8 1HB CYS 2 2HB CYS 2 -0.143 4.245 -3.513
9 2HB CYS 2 1HB CYS 2 0.056 4.559 -1.794
10 H CYS 3 H CYS 3 -1.607 5.008 -0.076
11 HA CYS 3 HA CYS 3 -1.818 2.835 1.643
12 1HB CYS 3 2HB CYS 3 -2.675 5.573 2.497
13 2HB CYS 3 1HB CYS 3 -1.687 4.393 3.357
14 H SER 4 H SER 4 -4.277 4.692 0.097
15 HA SER 4 HA SER 4 -6.442 4.218 1.826
16 1HB SER 4 2HB SER 4 -6.323 5.857 -0.124
17 2HB SER 4 1HB SER 4 -6.619 4.480 -1.179
18 HG SER 4 HG SER 4 -8.487 4.206 0.482
19 H ASP 5 H ASP 5 -4.967 2.373 -0.749
20 HA ASP 5 HA ASP 5 -6.972 0.260 -0.513
21 1HB ASP 5 2HB ASP 5 -6.288 0.832 -2.782
22 2HB ASP 5 1HB ASP 5 -4.598 0.553 -2.370
23 HA PRO 6 HA PRO 6 -4.486 -1.775 2.545
24 1HB PRO 6 2HB PRO 6 -5.654 -4.268 2.253
25 2HB PRO 6 1HB PRO 6 -6.288 -2.964 3.260
26 1HG PRO 6 2HG PRO 6 -7.091 -3.795 0.506
27 2HG PRO 6 1HG PRO 6 -8.104 -3.249 1.855
28 1HD PRO 6 2HD PRO 6 -7.490 -1.629 -0.199
29 2HD PRO 6 1HD PRO 6 -7.647 -1.013 1.458
30 H ARG 7 H ARG 7 -4.929 -3.203 -0.680
31 HA ARG 7 HA ARG 7 -2.767 -5.038 -0.425
32 1HB ARG 7 2HB ARG 7 -4.186 -3.947 -2.858
33 2HB ARG 7 1HB ARG 7 -2.880 -5.118 -2.960
34 1HG ARG 7 2HG ARG 7 -4.854 -6.367 -3.117
35 2HG ARG 7 1HG ARG 7 -4.288 -6.607 -1.464
36 1HD ARG 7 2HD ARG 7 -6.710 -6.227 -1.562
37 2HD ARG 7 1HD ARG 7 -5.880 -4.965 -0.653
38 HE ARG 7 HE ARG 7 -6.593 -3.431 -2.190
39 1HH1 ARG 7 1HH1 ARG 7 -6.927 -6.622 -3.626
40 2HH1 ARG 7 2HH1 ARG 7 -7.668 -6.020 -5.068
41 1HH2 ARG 7 1HH2 ARG 7 -7.540 -2.650 -4.044
42 2HH2 ARG 7 2HH2 ARG 7 -8.024 -3.737 -5.315
43 H CYS 8 H CYS 8 -3.116 -1.905 -2.044
44 HA CYS 8 HA CYS 8 -0.442 -1.649 -2.888
45 1HB CYS 8 2HB CYS 8 -2.492 -0.246 -3.560
46 2HB CYS 8 1HB CYS 8 -2.199 0.674 -2.089
47 H ASN 9 H ASN 9 -2.079 -0.789 0.108
48 HA ASN 9 HA ASN 9 0.018 0.633 1.344
49 1HB ASN 9 2HB ASN 9 -2.448 0.469 2.056
50 2HB ASN 9 1HB ASN 9 -2.013 -1.065 2.795
51 1HD2 ASN 9 1HD2 ASN 9 -1.567 -0.952 4.860
52 2HD2 ASN 9 2HD2 ASN 9 -0.913 0.411 5.691
53 H TYR 10 H TYR 10 -0.936 -2.771 1.516
54 HA TYR 10 HA TYR 10 1.097 -3.576 3.317
55 1HB TYR 10 2HB TYR 10 -0.995 -4.823 3.020
56 2HB TYR 10 1HB TYR 10 -0.539 -5.210 1.366
57 HD1 TYR 10 1HD TYR 10 1.233 -5.399 4.662
58 HD2 TYR 10 2HD TYR 10 -0.017 -7.437 1.142
59 HE1 TYR 10 1HE TYR 10 2.360 -7.437 5.449
60 HE2 TYR 10 2HE TYR 10 1.105 -9.480 1.921
61 HH TYR 10 HH TYR 10 3.341 -9.724 3.861
62 H ASP 11 H ASP 11 0.966 -3.259 -0.137
63 HA ASP 11 HA ASP 11 3.372 -4.805 -0.597
64 1HB ASP 11 2HB ASP 11 1.455 -4.712 -2.200
65 2HB ASP 11 1HB ASP 11 1.829 -3.029 -2.498
66 H HIS 12 H HIS 12 2.433 -1.464 -0.269
67 HA HIS 12 HA HIS 12 5.246 -0.675 -0.717
68 1HB HIS 12 2HB HIS 12 2.806 1.057 -1.162
69 2HB HIS 12 1HB HIS 12 4.474 1.451 -1.569
70 HD1 HIS 12 1HD HIS 12 1.925 1.195 -3.544
71 HD2 HIS 12 2HD HIS 12 5.020 -1.525 -3.078
72 HE1 HIS 12 1HE HIS 12 1.966 -0.148 -5.665
73 HE2 HIS 12 2HE HIS 12 3.615 -1.992 -5.178
74 HA PRO 13 HA PRO 13 3.887 0.472 3.688
75 1HB PRO 13 2HB PRO 13 6.333 -0.973 4.455
76 2HB PRO 13 1HB PRO 13 4.695 -1.127 5.095
77 1HG PRO 13 2HG PRO 13 5.803 -3.045 3.578
78 2HG PRO 13 1HG PRO 13 4.072 -2.670 3.497
79 1HD PRO 13 2HD PRO 13 6.278 -1.859 1.637
80 2HD PRO 13 1HD PRO 13 4.634 -2.419 1.258
81 H GLU 14 H GLU 14 6.872 0.399 1.906
82 HA GLU 14 HA GLU 14 8.394 2.208 3.423
83 1HB GLU 14 2HB GLU 14 9.615 2.528 1.204
84 2HB GLU 14 1HB GLU 14 9.535 0.885 1.828
85 1HG GLU 14 2HG GLU 14 7.679 0.397 0.318
86 2HG GLU 14 1HG GLU 14 7.749 2.044 -0.302
87 H ILE 15 H ILE 15 6.234 2.672 0.664
88 HA ILE 15 HA ILE 15 6.603 5.500 0.530
89 HB ILE 15 HB ILE 15 4.367 3.822 -0.627
90 1HG1 ILE 15 2HG1 ILE 15 6.948 4.748 -1.912
91 2HG1 ILE 15 1HG1 ILE 15 6.625 3.104 -1.371
92 1HG2 ILE 15 1HG2 ILE 15 4.863 6.657 -0.591
93 2HG2 ILE 15 2HG2 ILE 15 3.473 5.769 -1.218
94 3HG2 ILE 15 3HG2 ILE 15 4.881 6.043 -2.245
95 1HD1 ILE 15 1HD1 ILE 15 6.366 3.450 -3.811
96 2HD1 ILE 15 2HD1 ILE 15 5.017 4.537 -3.472
97 3HD1 ILE 15 3HD1 ILE 15 4.915 2.834 -3.018
98 H CYS 16 H CYS 16 4.055 3.366 1.759
99 HA CYS 16 HA CYS 16 2.654 5.633 2.929
100 1HB CYS 16 2HB CYS 16 2.003 2.696 2.734
101 2HB CYS 16 1HB CYS 16 1.006 3.847 3.618
102 1HN NH2 17 1H CYS 16 5.095 5.407 4.062
103 2HN NH2 17 2H CYS 16 4.972 4.809 5.676
Start of MODEL 10
1 1H GLY 1 1HT GLY 1 -5.780 6.430 -3.864
2 2H GLY 1 2HT GLY 1 -5.040 7.684 -4.726
3 3H GLY 1 3HT GLY 1 -5.953 8.032 -3.346
4 1HA GLY 1 1HA GLY 1 -3.254 7.696 -3.422
5 2HA GLY 1 2HA GLY 1 -4.257 7.667 -1.976
6 H CYS 2 H CYS 2 -1.772 6.163 -2.715
7 HA CYS 2 HA CYS 2 -2.423 3.460 -3.212
8 1HB CYS 2 2HB CYS 2 -0.187 4.266 -3.614
9 2HB CYS 2 1HB CYS 2 -0.001 4.738 -1.930
10 H CYS 3 H CYS 3 -1.718 5.175 -0.186
11 HA CYS 3 HA CYS 3 -1.940 3.009 1.555
12 1HB CYS 3 2HB CYS 3 -2.692 5.814 2.322
13 2HB CYS 3 1HB CYS 3 -1.866 4.591 3.283
14 H SER 4 H SER 4 -4.368 4.726 -0.119
15 HA SER 4 HA SER 4 -6.546 4.405 1.648
16 1HB SER 4 2HB SER 4 -6.418 5.894 -0.421
17 2HB SER 4 1HB SER 4 -6.706 4.442 -1.371
18 HG SER 4 HG SER 4 -8.593 4.266 0.252
19 H ASP 5 H ASP 5 -5.005 2.377 -0.721
20 HA ASP 5 HA ASP 5 -6.992 0.258 -0.295
21 1HB ASP 5 2HB ASP 5 -6.637 0.549 -2.609
22 2HB ASP 5 1HB ASP 5 -4.895 0.713 -2.410
23 HA PRO 6 HA PRO 6 -4.267 -1.588 2.680
24 1HB PRO 6 2HB PRO 6 -5.444 -4.092 2.591
25 2HB PRO 6 1HB PRO 6 -6.010 -2.742 3.581
26 1HG PRO 6 2HG PRO 6 -7.005 -3.700 0.933
27 2HG PRO 6 1HG PRO 6 -7.921 -3.097 2.327
28 1HD PRO 6 2HD PRO 6 -7.470 -1.567 0.165
29 2HD PRO 6 1HD PRO 6 -7.501 -0.880 1.802
30 H ARG 7 H ARG 7 -4.942 -3.035 -0.466
31 HA ARG 7 HA ARG 7 -2.877 -4.982 -0.399
32 1HB ARG 7 2HB ARG 7 -4.021 -3.614 -2.840
33 2HB ARG 7 1HB ARG 7 -3.211 -5.173 -2.785
34 1HG ARG 7 2HG ARG 7 -5.025 -6.203 -1.718
35 2HG ARG 7 1HG ARG 7 -5.758 -4.653 -1.290
36 1HD ARG 7 2HD ARG 7 -6.147 -4.195 -3.666
37 2HD ARG 7 1HD ARG 7 -5.436 -5.753 -4.080
38 HE ARG 7 HE ARG 7 -7.491 -6.257 -2.293
39 1HH1 ARG 7 1HH1 ARG 7 -7.139 -4.861 -5.469
40 2HH1 ARG 7 2HH1 ARG 7 -8.698 -5.374 -6.021
41 1HH2 ARG 7 1HH2 ARG 7 -9.562 -6.949 -3.001
42 2HH2 ARG 7 2HH2 ARG 7 -10.085 -6.569 -4.608
43 H CYS 8 H CYS 8 -3.094 -1.801 -1.943
44 HA CYS 8 HA CYS 8 -0.433 -1.635 -2.828
45 1HB CYS 8 2HB CYS 8 -2.437 -0.160 -3.457
46 2HB CYS 8 1HB CYS 8 -2.108 0.732 -1.978
47 H ASN 9 H ASN 9 -1.958 -0.809 0.234
48 HA ASN 9 HA ASN 9 0.246 0.531 1.409
49 1HB ASN 9 2HB ASN 9 -2.183 0.542 2.192
50 2HB ASN 9 1HB ASN 9 -1.874 -1.042 2.881
51 1HD2 ASN 9 1HD2 ASN 9 1.000 0.353 3.273
52 2HD2 ASN 9 2HD2 ASN 9 0.777 1.119 4.809
53 H TYR 10 H TYR 10 -0.858 -2.833 1.523
54 HA TYR 10 HA TYR 10 1.188 -3.768 3.257
55 1HB TYR 10 2HB TYR 10 -0.993 -4.907 2.920
56 2HB TYR 10 1HB TYR 10 -0.498 -5.326 1.284
57 HD1 TYR 10 1HD TYR 10 -0.101 -7.589 1.133
58 HD2 TYR 10 2HD TYR 10 1.219 -5.516 4.606
59 HE1 TYR 10 1HE TYR 10 0.923 -9.661 1.973
60 HE2 TYR 10 2HE TYR 10 2.248 -7.581 5.455
61 HH TYR 10 HH TYR 10 3.165 -9.888 4.063
62 H ASP 11 H ASP 11 0.998 -3.231 -0.146
63 HA ASP 11 HA ASP 11 3.297 -4.869 -0.814
64 1HB ASP 11 2HB ASP 11 1.386 -4.552 -2.371
65 2HB ASP 11 1HB ASP 11 1.752 -2.841 -2.458
66 H HIS 12 H HIS 12 2.516 -1.477 -0.344
67 HA HIS 12 HA HIS 12 5.366 -0.797 -0.706
68 1HB HIS 12 2HB HIS 12 3.002 1.062 -1.044
69 2HB HIS 12 1HB HIS 12 4.682 1.387 -1.468
70 HD1 HIS 12 1HD HIS 12 2.050 1.284 -3.383
71 HD2 HIS 12 2HD HIS 12 5.094 -1.519 -3.111
72 HE1 HIS 12 1HE HIS 12 1.972 -0.004 -5.535
73 HE2 HIS 12 2HE HIS 12 3.587 -1.903 -5.161
74 HA PRO 13 HA PRO 13 4.356 -0.017 3.757
75 1HB PRO 13 2HB PRO 13 6.704 -0.975 4.720
76 2HB PRO 13 1HB PRO 13 5.305 -2.005 4.394
77 1HG PRO 13 2HG PRO 13 7.748 -1.541 2.729
78 2HG PRO 13 1HG PRO 13 6.889 -3.058 3.062
79 1HD PRO 13 2HD PRO 13 6.587 -1.670 0.750
80 2HD PRO 13 1HD PRO 13 5.289 -2.648 1.463
81 H GLU 14 H GLU 14 7.224 0.658 1.823
82 HA GLU 14 HA GLU 14 8.296 2.614 3.595
83 1HB GLU 14 2HB GLU 14 9.849 3.157 1.827
84 2HB GLU 14 1HB GLU 14 9.675 1.412 1.917
85 1HG GLU 14 2HG GLU 14 8.361 3.216 -0.106
86 2HG GLU 14 1HG GLU 14 9.767 2.198 -0.390
87 H ILE 15 H ILE 15 6.310 2.795 0.664
88 HA ILE 15 HA ILE 15 6.194 5.645 0.643
89 HB ILE 15 HB ILE 15 4.341 3.655 -0.683
90 1HG1 ILE 15 2HG1 ILE 15 6.740 5.123 -1.804
91 2HG1 ILE 15 1HG1 ILE 15 6.725 3.424 -1.345
92 1HG2 ILE 15 1HG2 ILE 15 3.643 6.135 -0.354
93 2HG2 ILE 15 2HG2 ILE 15 3.449 5.380 -1.936
94 3HG2 ILE 15 3HG2 ILE 15 4.819 6.446 -1.630
95 1HD1 ILE 15 1HD1 ILE 15 5.116 2.932 -3.068
96 2HD1 ILE 15 2HD1 ILE 15 6.498 3.776 -3.767
97 3HD1 ILE 15 3HD1 ILE 15 4.988 4.641 -3.479
98 H CYS 16 H CYS 16 4.001 3.092 1.754
99 HA CYS 16 HA CYS 16 2.386 5.157 3.084
100 1HB CYS 16 2HB CYS 16 1.708 2.359 2.196
101 2HB CYS 16 1HB CYS 16 0.665 3.308 3.254
102 1HN NH2 17 1H CYS 16 4.602 4.799 4.404
103 2HN NH2 17 2H CYS 16 4.400 3.804 5.801
Start of MODEL 11
1 1H GLY 1 1HT GLY 1 -4.966 7.828 -4.634
2 2H GLY 1 2HT GLY 1 -5.868 8.206 -3.254
3 3H GLY 1 3HT GLY 1 -5.759 6.601 -3.777
4 1HA GLY 1 1HA GLY 1 -3.190 7.792 -3.307
5 2HA GLY 1 2HA GLY 1 -4.205 7.743 -1.869
6 H CYS 2 H CYS 2 -1.745 6.199 -2.674
7 HA CYS 2 HA CYS 2 -2.458 3.524 -3.225
8 1HB CYS 2 2HB CYS 2 -0.205 4.282 -3.618
9 2HB CYS 2 1HB CYS 2 -0.005 4.721 -1.928
10 H CYS 3 H CYS 3 -1.718 5.161 -0.162
11 HA CYS 3 HA CYS 3 -1.950 2.968 1.536
12 1HB CYS 3 2HB CYS 3 -2.722 5.749 2.366
13 2HB CYS 3 1HB CYS 3 -1.883 4.510 3.293
14 H SER 4 H SER 4 -4.380 4.722 -0.106
15 HA SER 4 HA SER 4 -6.560 4.334 1.646
16 1HB SER 4 2HB SER 4 -6.426 5.884 -0.389
17 2HB SER 4 1HB SER 4 -6.742 4.456 -1.367
18 HG SER 4 HG SER 4 -8.603 4.268 0.292
19 H ASP 5 H ASP 5 -5.011 2.390 -0.792
20 HA ASP 5 HA ASP 5 -6.987 0.253 -0.455
21 1HB ASP 5 2HB ASP 5 -6.452 0.776 -2.764
22 2HB ASP 5 1HB ASP 5 -4.730 0.604 -2.445
23 HA PRO 6 HA PRO 6 -4.380 -1.602 2.621
24 1HB PRO 6 2HB PRO 6 -5.533 -4.110 2.490
25 2HB PRO 6 1HB PRO 6 -6.165 -2.756 3.429
26 1HG PRO 6 2HG PRO 6 -6.991 -3.739 0.729
27 2HG PRO 6 1HG PRO 6 -7.997 -3.157 2.070
28 1HD PRO 6 2HD PRO 6 -7.455 -1.608 -0.052
29 2HD PRO 6 1HD PRO 6 -7.574 -0.929 1.585
30 H ARG 7 H ARG 7 -4.894 -3.169 -0.508
31 HA ARG 7 HA ARG 7 -2.751 -5.024 -0.290
32 1HB ARG 7 2HB ARG 7 -3.912 -3.839 -2.817
33 2HB ARG 7 1HB ARG 7 -3.017 -5.345 -2.674
34 1HG ARG 7 2HG ARG 7 -4.794 -6.447 -1.654
35 2HG ARG 7 1HG ARG 7 -5.597 -4.937 -1.210
36 1HD ARG 7 2HD ARG 7 -6.731 -6.064 -3.079
37 2HD ARG 7 1HD ARG 7 -6.097 -4.487 -3.546
38 HE ARG 7 HE ARG 7 -4.240 -6.560 -4.133
39 1HH1 ARG 7 1HH1 ARG 7 -7.188 -5.034 -5.258
40 2HH1 ARG 7 2HH1 ARG 7 -6.973 -5.516 -6.910
41 1HH2 ARG 7 1HH2 ARG 7 -3.933 -7.216 -6.313
42 2HH2 ARG 7 2HH2 ARG 7 -5.105 -6.774 -7.513
43 H CYS 8 H CYS 8 -3.112 -1.865 -1.824
44 HA CYS 8 HA CYS 8 -0.471 -1.614 -2.788
45 1HB CYS 8 2HB CYS 8 -2.556 -0.193 -3.346
46 2HB CYS 8 1HB CYS 8 -2.169 0.716 -1.891
47 H ASN 9 H ASN 9 -1.988 -0.823 0.284
48 HA ASN 9 HA ASN 9 0.192 0.561 1.447
49 1HB ASN 9 2HB ASN 9 -2.243 0.516 2.230
50 2HB ASN 9 1HB ASN 9 -1.883 -1.049 2.939
51 1HD2 ASN 9 1HD2 ASN 9 0.951 0.387 3.327
52 2HD2 ASN 9 2HD2 ASN 9 0.711 1.181 4.845
53 H TYR 10 H TYR 10 -0.839 -2.827 1.570
54 HA TYR 10 HA TYR 10 1.225 -3.700 3.319
55 1HB TYR 10 2HB TYR 10 -0.916 -4.895 3.042
56 2HB TYR 10 1HB TYR 10 -0.475 -5.292 1.385
57 HD1 TYR 10 1HD TYR 10 1.354 -5.496 4.648
58 HD2 TYR 10 2HD TYR 10 -0.041 -7.546 1.191
59 HE1 TYR 10 1HE TYR 10 2.442 -7.554 5.437
60 HE2 TYR 10 2HE TYR 10 1.043 -9.610 1.970
61 HH TYR 10 HH TYR 10 3.354 -9.825 3.969
62 H ASP 11 H ASP 11 1.014 -3.287 -0.114
63 HA ASP 11 HA ASP 11 3.364 -4.879 -0.705
64 1HB ASP 11 2HB ASP 11 1.405 -4.703 -2.241
65 2HB ASP 11 1HB ASP 11 1.771 -3.008 -2.475
66 H HIS 12 H HIS 12 2.500 -1.543 -0.239
67 HA HIS 12 HA HIS 12 5.303 -0.757 -0.740
68 1HB HIS 12 2HB HIS 12 2.854 1.003 -1.005
69 2HB HIS 12 1HB HIS 12 4.509 1.424 -1.443
70 HD1 HIS 12 1HD HIS 12 1.934 1.289 -3.374
71 HD2 HIS 12 2HD HIS 12 4.981 -1.507 -3.091
72 HE1 HIS 12 1HE HIS 12 1.888 0.022 -5.539
73 HE2 HIS 12 2HE HIS 12 3.516 -1.865 -5.170
74 HA PRO 13 HA PRO 13 4.367 -0.019 3.760
75 1HB PRO 13 2HB PRO 13 6.732 -0.988 4.679
76 2HB PRO 13 1HB PRO 13 5.318 -2.007 4.389
77 1HG PRO 13 2HG PRO 13 7.732 -1.578 2.676
78 2HG PRO 13 1HG PRO 13 6.858 -3.082 3.026
79 1HD PRO 13 2HD PRO 13 6.535 -1.690 0.717
80 2HD PRO 13 1HD PRO 13 5.240 -2.655 1.450
81 H GLU 14 H GLU 14 7.182 0.656 1.758
82 HA GLU 14 HA GLU 14 8.306 2.597 3.520
83 1HB GLU 14 2HB GLU 14 9.834 3.124 1.729
84 2HB GLU 14 1HB GLU 14 9.646 1.381 1.823
85 1HG GLU 14 2HG GLU 14 8.331 3.197 -0.190
86 2HG GLU 14 1HG GLU 14 9.713 2.150 -0.486
87 H ILE 15 H ILE 15 6.286 2.803 0.606
88 HA ILE 15 HA ILE 15 6.185 5.656 0.603
89 HB ILE 15 HB ILE 15 4.288 3.700 -0.715
90 1HG1 ILE 15 2HG1 ILE 15 6.733 5.089 -1.839
91 2HG1 ILE 15 1HG1 ILE 15 6.646 3.386 -1.404
92 1HG2 ILE 15 1HG2 ILE 15 3.941 6.382 -0.378
93 2HG2 ILE 15 2HG2 ILE 15 3.242 5.428 -1.689
94 3HG2 ILE 15 3HG2 ILE 15 4.748 6.313 -1.946
95 1HD1 ILE 15 1HD1 ILE 15 6.402 4.006 -3.861
96 2HD1 ILE 15 2HD1 ILE 15 4.791 4.581 -3.428
97 3HD1 ILE 15 3HD1 ILE 15 5.220 2.888 -3.180
98 H CYS 16 H CYS 16 4.019 3.100 1.742
99 HA CYS 16 HA CYS 16 2.407 5.158 3.089
100 1HB CYS 16 2HB CYS 16 1.729 2.362 2.197
101 2HB CYS 16 1HB CYS 16 0.695 3.299 3.270
102 1HN NH2 17 1H CYS 16 4.700 4.722 4.334
103 2HN NH2 17 2H CYS 16 4.494 3.753 5.750
Start of MODEL 12
1 1H GLY 1 1HT GLY 1 -4.567 8.993 -3.590
2 2H GLY 1 2HT GLY 1 -5.004 9.317 -1.989
3 3H GLY 1 3HT GLY 1 -5.512 7.884 -2.730
4 1HA GLY 1 1HA GLY 1 -2.656 8.238 -2.748
5 2HA GLY 1 2HA GLY 1 -3.350 8.109 -1.136
6 H CYS 2 H CYS 2 -1.660 6.236 -2.793
7 HA CYS 2 HA CYS 2 -3.252 4.032 -3.582
8 1HB CYS 2 2HB CYS 2 -0.714 4.653 -4.033
9 2HB CYS 2 1HB CYS 2 -0.450 3.621 -2.640
10 H CYS 3 H CYS 3 -1.886 5.031 -0.549
11 HA CYS 3 HA CYS 3 -1.939 2.691 0.934
12 1HB CYS 3 2HB CYS 3 -2.631 5.380 2.089
13 2HB CYS 3 1HB CYS 3 -1.686 4.077 2.811
14 H SER 4 H SER 4 -4.544 4.508 -0.300
15 HA SER 4 HA SER 4 -6.545 4.017 1.615
16 1HB SER 4 2HB SER 4 -6.648 5.578 -0.414
17 2HB SER 4 1HB SER 4 -6.992 4.142 -1.373
18 HG SER 4 HG SER 4 -8.720 3.842 0.359
19 H ASP 5 H ASP 5 -5.133 2.152 -0.952
20 HA ASP 5 HA ASP 5 -7.011 -0.053 -0.583
21 1HB ASP 5 2HB ASP 5 -6.488 0.204 -2.863
22 2HB ASP 5 1HB ASP 5 -4.782 0.494 -2.533
23 HA PRO 6 HA PRO 6 -4.472 -1.767 2.614
24 1HB PRO 6 2HB PRO 6 -5.521 -4.327 2.433
25 2HB PRO 6 1HB PRO 6 -6.218 -3.011 3.380
26 1HG PRO 6 2HG PRO 6 -6.974 -4.003 0.669
27 2HG PRO 6 1HG PRO 6 -8.013 -3.430 1.988
28 1HD PRO 6 2HD PRO 6 -7.458 -1.893 -0.145
29 2HD PRO 6 1HD PRO 6 -7.642 -1.201 1.479
30 H ARG 7 H ARG 7 -4.816 -3.309 -0.563
31 HA ARG 7 HA ARG 7 -2.624 -5.076 -0.219
32 1HB ARG 7 2HB ARG 7 -4.290 -5.505 -1.950
33 2HB ARG 7 1HB ARG 7 -3.842 -4.017 -2.774
34 1HG ARG 7 2HG ARG 7 -2.861 -5.970 -3.861
35 2HG ARG 7 1HG ARG 7 -1.614 -4.907 -3.205
36 1HD ARG 7 2HD ARG 7 -2.108 -6.608 -1.113
37 2HD ARG 7 1HD ARG 7 -2.295 -7.665 -2.509
38 HE ARG 7 HE ARG 7 0.064 -6.198 -2.848
39 1HH1 ARG 7 1HH1 ARG 7 -1.237 -8.667 -0.738
40 2HH1 ARG 7 2HH1 ARG 7 0.310 -9.336 -0.348
41 1HH2 ARG 7 1HH2 ARG 7 2.130 -7.066 -2.337
42 2HH2 ARG 7 2HH2 ARG 7 2.223 -8.429 -1.257
43 H CYS 8 H CYS 8 -2.908 -1.975 -1.946
44 HA CYS 8 HA CYS 8 -0.189 -1.765 -2.641
45 1HB CYS 8 2HB CYS 8 -2.113 -0.356 -3.534
46 2HB CYS 8 1HB CYS 8 -1.987 0.595 -2.056
47 H ASN 9 H ASN 9 -1.947 -0.864 0.259
48 HA ASN 9 HA ASN 9 0.094 0.640 1.510
49 1HB ASN 9 2HB ASN 9 -2.409 0.427 2.145
50 2HB ASN 9 1HB ASN 9 -1.931 -1.044 2.982
51 1HD2 ASN 9 1HD2 ASN 9 -1.417 -0.832 5.033
52 2HD2 ASN 9 2HD2 ASN 9 -0.889 0.619 5.802
53 H TYR 10 H TYR 10 -0.856 -2.752 1.770
54 HA TYR 10 HA TYR 10 1.245 -3.488 3.559
55 1HB TYR 10 2HB TYR 10 -0.877 -4.695 3.497
56 2HB TYR 10 1HB TYR 10 -0.592 -5.156 1.822
57 HD1 TYR 10 1HD TYR 10 -0.128 -7.393 1.609
58 HD2 TYR 10 2HD TYR 10 1.426 -5.315 4.980
59 HE1 TYR 10 1HE TYR 10 0.981 -9.454 2.359
60 HE2 TYR 10 2HE TYR 10 2.541 -7.371 5.740
61 HH TYR 10 HH TYR 10 3.076 -9.478 5.213
62 H ASP 11 H ASP 11 0.964 -3.189 0.149
63 HA ASP 11 HA ASP 11 3.195 -4.928 -0.474
64 1HB ASP 11 2HB ASP 11 1.097 -4.470 -1.917
65 2HB ASP 11 1HB ASP 11 1.891 -2.968 -2.354
66 H HIS 12 H HIS 12 2.543 -1.480 -0.158
67 HA HIS 12 HA HIS 12 5.421 -0.979 -0.607
68 1HB HIS 12 2HB HIS 12 3.197 0.966 -1.256
69 2HB HIS 12 1HB HIS 12 4.901 1.115 -1.669
70 HD1 HIS 12 1HD HIS 12 2.284 0.983 -3.617
71 HD2 HIS 12 2HD HIS 12 5.135 -1.964 -2.989
72 HE1 HIS 12 1HE HIS 12 2.156 -0.515 -5.624
73 HE2 HIS 12 2HE HIS 12 3.671 -2.445 -5.046
74 HA PRO 13 HA PRO 13 4.038 0.487 3.680
75 1HB PRO 13 2HB PRO 13 6.535 -0.879 4.466
76 2HB PRO 13 1HB PRO 13 4.924 -0.988 5.181
77 1HG PRO 13 2HG PRO 13 5.954 -3.009 3.762
78 2HG PRO 13 1HG PRO 13 4.226 -2.612 3.687
79 1HD PRO 13 2HD PRO 13 6.408 -1.964 1.737
80 2HD PRO 13 1HD PRO 13 4.747 -2.514 1.427
81 H GLU 14 H GLU 14 6.922 0.468 1.789
82 HA GLU 14 HA GLU 14 8.533 2.293 3.166
83 1HB GLU 14 2HB GLU 14 9.480 2.687 0.810
84 2HB GLU 14 1HB GLU 14 9.542 1.044 1.440
85 1HG GLU 14 2HG GLU 14 7.513 0.495 0.174
86 2HG GLU 14 1HG GLU 14 7.487 2.131 -0.476
87 H ILE 15 H ILE 15 6.164 2.789 0.579
88 HA ILE 15 HA ILE 15 6.407 5.666 0.715
89 HB ILE 15 HB ILE 15 4.403 3.998 -0.820
90 1HG1 ILE 15 2HG1 ILE 15 7.022 5.178 -1.780
91 2HG1 ILE 15 1HG1 ILE 15 6.765 3.476 -1.412
92 1HG2 ILE 15 1HG2 ILE 15 3.554 6.167 -0.747
93 2HG2 ILE 15 2HG2 ILE 15 4.433 6.117 -2.275
94 3HG2 ILE 15 3HG2 ILE 15 5.154 6.901 -0.869
95 1HD1 ILE 15 1HD1 ILE 15 6.440 4.712 -3.861
96 2HD1 ILE 15 2HD1 ILE 15 4.794 4.471 -3.275
97 3HD1 ILE 15 3HD1 ILE 15 5.892 3.096 -3.413
98 H CYS 16 H CYS 16 3.966 3.207 1.410
99 HA CYS 16 HA CYS 16 2.258 5.164 2.715
100 1HB CYS 16 2HB CYS 16 1.920 2.243 2.048
101 2HB CYS 16 1HB CYS 16 0.737 3.159 2.981
102 1HN NH2 17 1H CYS 16 4.318 5.282 4.200
103 2HN NH2 17 2H CYS 16 4.220 4.334 5.640
Start of MODEL 13
1 1H GLY 1 1HT GLY 1 -4.501 9.018 -3.539
2 2H GLY 1 2HT GLY 1 -4.979 9.327 -1.947
3 3H GLY 1 3HT GLY 1 -5.468 7.899 -2.714
4 1HA GLY 1 1HA GLY 1 -2.611 8.258 -2.650
5 2HA GLY 1 2HA GLY 1 -3.352 8.105 -1.061
6 H CYS 2 H CYS 2 -1.612 6.257 -2.693
7 HA CYS 2 HA CYS 2 -3.183 4.061 -3.554
8 1HB CYS 2 2HB CYS 2 -0.631 4.699 -3.935
9 2HB CYS 2 1HB CYS 2 -0.401 3.636 -2.560
10 H CYS 3 H CYS 3 -1.885 5.031 -0.486
11 HA CYS 3 HA CYS 3 -1.963 2.679 0.977
12 1HB CYS 3 2HB CYS 3 -2.674 5.358 2.139
13 2HB CYS 3 1HB CYS 3 -1.745 4.048 2.869
14 H SER 4 H SER 4 -4.545 4.510 -0.290
15 HA SER 4 HA SER 4 -6.582 4.010 1.584
16 1HB SER 4 2HB SER 4 -6.644 5.575 -0.447
17 2HB SER 4 1HB SER 4 -6.979 4.141 -1.411
18 HG SER 4 HG SER 4 -8.727 3.854 0.312
19 H ASP 5 H ASP 5 -5.122 2.155 -0.961
20 HA ASP 5 HA ASP 5 -6.996 -0.058 -0.620
21 1HB ASP 5 2HB ASP 5 -6.479 0.209 -2.896
22 2HB ASP 5 1HB ASP 5 -4.781 0.535 -2.569
23 HA PRO 6 HA PRO 6 -4.444 -1.770 2.574
24 1HB PRO 6 2HB PRO 6 -5.485 -4.335 2.380
25 2HB PRO 6 1HB PRO 6 -6.180 -3.026 3.339
26 1HG PRO 6 2HG PRO 6 -6.948 -4.008 0.628
27 2HG PRO 6 1HG PRO 6 -7.981 -3.440 1.953
28 1HD PRO 6 2HD PRO 6 -7.435 -1.897 -0.179
29 2HD PRO 6 1HD PRO 6 -7.617 -1.210 1.448
30 H ARG 7 H ARG 7 -4.801 -3.300 -0.600
31 HA ARG 7 HA ARG 7 -2.619 -5.077 -0.319
32 1HB ARG 7 2HB ARG 7 -4.169 -5.560 -2.055
33 2HB ARG 7 1HB ARG 7 -4.010 -3.949 -2.743
34 1HG ARG 7 2HG ARG 7 -2.873 -5.630 -4.099
35 2HG ARG 7 1HG ARG 7 -1.737 -4.448 -3.446
36 1HD ARG 7 2HD ARG 7 -1.385 -6.147 -1.546
37 2HD ARG 7 1HD ARG 7 -2.168 -7.303 -2.624
38 HE ARG 7 HE ARG 7 0.510 -6.347 -2.787
39 1HH1 ARG 7 1HH1 ARG 7 -2.169 -7.414 -4.789
40 2HH1 ARG 7 2HH1 ARG 7 -1.155 -7.849 -6.122
41 1HH2 ARG 7 1HH2 ARG 7 1.836 -6.895 -4.507
42 2HH2 ARG 7 2HH2 ARG 7 1.142 -7.560 -5.965
43 H CYS 8 H CYS 8 -2.862 -1.951 -2.012
44 HA CYS 8 HA CYS 8 -0.132 -1.744 -2.651
45 1HB CYS 8 2HB CYS 8 -2.031 -0.326 -3.573
46 2HB CYS 8 1HB CYS 8 -1.942 0.613 -2.085
47 H ASN 9 H ASN 9 -1.935 -0.859 0.226
48 HA ASN 9 HA ASN 9 0.089 0.641 1.514
49 1HB ASN 9 2HB ASN 9 -2.416 0.462 2.105
50 2HB ASN 9 1HB ASN 9 -1.990 -1.032 2.928
51 1HD2 ASN 9 1HD2 ASN 9 -1.507 -0.870 4.991
52 2HD2 ASN 9 2HD2 ASN 9 -0.976 0.558 5.800
53 H TYR 10 H TYR 10 -0.884 -2.748 1.797
54 HA TYR 10 HA TYR 10 1.174 -3.465 3.636
55 1HB TYR 10 2HB TYR 10 -0.981 -4.653 3.479
56 2HB TYR 10 1HB TYR 10 -0.563 -5.197 1.860
57 HD1 TYR 10 1HD TYR 10 -0.137 -7.459 1.844
58 HD2 TYR 10 2HD TYR 10 1.273 -5.148 5.126
59 HE1 TYR 10 1HE TYR 10 0.922 -9.464 2.791
60 HE2 TYR 10 2HE TYR 10 2.339 -7.147 6.083
61 HH TYR 10 HH TYR 10 3.222 -9.554 4.796
62 H ASP 11 H ASP 11 0.957 -3.277 0.201
63 HA ASP 11 HA ASP 11 3.234 -4.993 -0.308
64 1HB ASP 11 2HB ASP 11 1.150 -4.656 -1.790
65 2HB ASP 11 1HB ASP 11 1.891 -3.147 -2.278
66 H HIS 12 H HIS 12 2.523 -1.543 -0.128
67 HA HIS 12 HA HIS 12 5.396 -1.027 -0.578
68 1HB HIS 12 2HB HIS 12 3.143 0.864 -1.288
69 2HB HIS 12 1HB HIS 12 4.852 1.055 -1.666
70 HD1 HIS 12 1HD HIS 12 2.312 0.823 -3.689
71 HD2 HIS 12 2HD HIS 12 5.178 -2.067 -2.884
72 HE1 HIS 12 1HE HIS 12 2.285 -0.724 -5.666
73 HE2 HIS 12 2HE HIS 12 3.855 -2.589 -5.020
74 HA PRO 13 HA PRO 13 4.059 0.560 3.672
75 1HB PRO 13 2HB PRO 13 6.542 -0.807 4.494
76 2HB PRO 13 1HB PRO 13 4.926 -0.898 5.202
77 1HG PRO 13 2HG PRO 13 5.967 -2.951 3.831
78 2HG PRO 13 1HG PRO 13 4.238 -2.560 3.749
79 1HD PRO 13 2HD PRO 13 6.417 -1.943 1.785
80 2HD PRO 13 1HD PRO 13 4.762 -2.516 1.486
81 H GLU 14 H GLU 14 6.832 0.492 1.673
82 HA GLU 14 HA GLU 14 8.571 2.279 2.940
83 1HB GLU 14 2HB GLU 14 9.361 2.659 0.524
84 2HB GLU 14 1HB GLU 14 9.418 1.008 1.136
85 1HG GLU 14 2HG GLU 14 7.306 0.515 0.012
86 2HG GLU 14 1HG GLU 14 7.242 2.165 -0.594
87 H ILE 15 H ILE 15 6.046 2.822 0.512
88 HA ILE 15 HA ILE 15 6.321 5.703 0.679
89 HB ILE 15 HB ILE 15 4.232 4.091 -0.802
90 1HG1 ILE 15 2HG1 ILE 15 6.841 5.211 -1.851
91 2HG1 ILE 15 1HG1 ILE 15 6.545 3.512 -1.509
92 1HG2 ILE 15 1HG2 ILE 15 3.991 6.126 -2.160
93 2HG2 ILE 15 2HG2 ILE 15 5.156 6.945 -1.118
94 3HG2 ILE 15 3HG2 ILE 15 3.609 6.412 -0.462
95 1HD1 ILE 15 1HD1 ILE 15 5.425 3.198 -3.418
96 2HD1 ILE 15 2HD1 ILE 15 6.252 4.668 -3.932
97 3HD1 ILE 15 3HD1 ILE 15 4.602 4.753 -3.315
98 H CYS 16 H CYS 16 3.909 3.227 1.397
99 HA CYS 16 HA CYS 16 2.238 5.139 2.807
100 1HB CYS 16 2HB CYS 16 1.898 2.222 2.117
101 2HB CYS 16 1HB CYS 16 0.728 3.140 3.061
102 1HN NH2 17 1H CYS 16 4.327 5.258 4.235
103 2HN NH2 17 2H CYS 16 4.291 4.272 5.654
Start of MODEL 14
1 1H GLY 1 1HT GLY 1 -5.513 6.635 -3.796
2 2H GLY 1 2HT GLY 1 -4.668 7.829 -4.648
3 3H GLY 1 3HT GLY 1 -5.591 8.249 -3.294
4 1HA GLY 1 1HA GLY 1 -2.924 7.753 -3.284
5 2HA GLY 1 2HA GLY 1 -3.970 7.765 -1.870
6 H CYS 2 H CYS 2 -1.547 6.130 -2.597
7 HA CYS 2 HA CYS 2 -2.332 3.474 -3.122
8 1HB CYS 2 2HB CYS 2 -0.043 4.206 -3.454
9 2HB CYS 2 1HB CYS 2 0.126 4.571 -1.743
10 H CYS 3 H CYS 3 -1.693 5.171 -0.079
11 HA CYS 3 HA CYS 3 -1.961 3.045 1.685
12 1HB CYS 3 2HB CYS 3 -2.869 5.821 2.375
13 2HB CYS 3 1HB CYS 3 -2.009 4.655 3.378
14 H SER 4 H SER 4 -4.372 4.762 -0.065
15 HA SER 4 HA SER 4 -6.608 4.311 1.591
16 1HB SER 4 2HB SER 4 -6.415 5.866 -0.436
17 2HB SER 4 1HB SER 4 -6.677 4.434 -1.425
18 HG SER 4 HG SER 4 -8.602 4.201 0.122
19 H ASP 5 H ASP 5 -4.924 2.390 -0.777
20 HA ASP 5 HA ASP 5 -6.894 0.236 -0.542
21 1HB ASP 5 2HB ASP 5 -6.134 0.882 -2.816
22 2HB ASP 5 1HB ASP 5 -4.486 0.457 -2.368
23 HA PRO 6 HA PRO 6 -4.378 -1.580 2.643
24 1HB PRO 6 2HB PRO 6 -5.558 -4.078 2.512
25 2HB PRO 6 1HB PRO 6 -6.180 -2.711 3.441
26 1HG PRO 6 2HG PRO 6 -7.004 -3.708 0.748
27 2HG PRO 6 1HG PRO 6 -8.007 -3.080 2.069
28 1HD PRO 6 2HD PRO 6 -7.403 -1.589 -0.085
29 2HD PRO 6 1HD PRO 6 -7.547 -0.872 1.534
30 H ARG 7 H ARG 7 -4.877 -3.229 -0.468
31 HA ARG 7 HA ARG 7 -2.700 -5.034 -0.133
32 1HB ARG 7 2HB ARG 7 -4.093 -4.096 -2.650
33 2HB ARG 7 1HB ARG 7 -2.863 -5.348 -2.615
34 1HG ARG 7 2HG ARG 7 -4.883 -6.509 -2.685
35 2HG ARG 7 1HG ARG 7 -4.402 -6.576 -0.989
36 1HD ARG 7 2HD ARG 7 -6.794 -6.070 -1.266
37 2HD ARG 7 1HD ARG 7 -5.923 -4.769 -0.453
38 HE ARG 7 HE ARG 7 -6.321 -3.383 -2.247
39 1HH1 ARG 7 1HH1 ARG 7 -7.250 -6.662 -3.102
40 2HH1 ARG 7 2HH1 ARG 7 -7.975 -6.194 -4.602
41 1HH2 ARG 7 1HH2 ARG 7 -7.256 -2.763 -4.191
42 2HH2 ARG 7 2HH2 ARG 7 -7.981 -3.961 -5.232
43 H CYS 8 H CYS 8 -3.125 -1.923 -1.742
44 HA CYS 8 HA CYS 8 -0.501 -1.693 -2.763
45 1HB CYS 8 2HB CYS 8 -2.552 -0.262 -3.336
46 2HB CYS 8 1HB CYS 8 -2.198 0.641 -1.868
47 H ASN 9 H ASN 9 -1.955 -0.856 0.331
48 HA ASN 9 HA ASN 9 0.253 0.524 1.437
49 1HB ASN 9 2HB ASN 9 -2.166 0.475 2.284
50 2HB ASN 9 1HB ASN 9 -1.776 -1.084 2.993
51 1HD2 ASN 9 1HD2 ASN 9 1.060 0.385 3.266
52 2HD2 ASN 9 2HD2 ASN 9 0.871 1.180 4.790
53 H TYR 10 H TYR 10 -0.802 -2.850 1.646
54 HA TYR 10 HA TYR 10 1.316 -3.733 3.308
55 1HB TYR 10 2HB TYR 10 -0.762 -5.075 1.625
56 2HB TYR 10 1HB TYR 10 0.567 -6.032 2.275
57 HD1 TYR 10 1HD TYR 10 -0.533 -7.385 3.841
58 HD2 TYR 10 2HD TYR 10 -1.171 -3.179 3.921
59 HE1 TYR 10 1HE TYR 10 -1.731 -7.613 5.975
60 HE2 TYR 10 2HE TYR 10 -2.370 -3.396 6.056
61 HH TYR 10 HH TYR 10 -3.660 -6.027 7.182
62 H ASP 11 H ASP 11 1.024 -3.273 -0.101
63 HA ASP 11 HA ASP 11 3.332 -4.890 -0.783
64 1HB ASP 11 2HB ASP 11 1.386 -4.667 -2.303
65 2HB ASP 11 1HB ASP 11 1.698 -2.948 -2.442
66 H HIS 12 H HIS 12 2.488 -1.491 -0.431
67 HA HIS 12 HA HIS 12 5.338 -0.802 -0.805
68 1HB HIS 12 2HB HIS 12 3.006 1.064 -1.269
69 2HB HIS 12 1HB HIS 12 4.686 1.302 -1.740
70 HD1 HIS 12 1HD HIS 12 1.936 1.091 -3.547
71 HD2 HIS 12 2HD HIS 12 5.050 -1.637 -3.263
72 HE1 HIS 12 1HE HIS 12 1.820 -0.285 -5.643
73 HE2 HIS 12 2HE HIS 12 3.482 -2.137 -5.243
74 HA PRO 13 HA PRO 13 4.029 0.274 3.598
75 1HB PRO 13 2HB PRO 13 6.614 -0.985 4.245
76 2HB PRO 13 1HB PRO 13 5.018 -1.276 4.946
77 1HG PRO 13 2HG PRO 13 6.198 -3.078 3.350
78 2HG PRO 13 1HG PRO 13 4.443 -2.822 3.329
79 1HD PRO 13 2HD PRO 13 6.527 -1.818 1.423
80 2HD PRO 13 1HD PRO 13 4.919 -2.488 1.081
81 H GLU 14 H GLU 14 6.915 0.557 1.688
82 HA GLU 14 HA GLU 14 8.334 2.423 3.248
83 1HB GLU 14 2HB GLU 14 9.510 2.922 1.089
84 2HB GLU 14 1HB GLU 14 9.463 1.214 1.508
85 1HG GLU 14 2HG GLU 14 7.521 0.953 -0.018
86 2HG GLU 14 1HG GLU 14 7.736 2.632 -0.508
87 H ILE 15 H ILE 15 6.007 2.801 0.618
88 HA ILE 15 HA ILE 15 6.112 5.665 0.632
89 HB ILE 15 HB ILE 15 4.045 3.830 -0.600
90 1HG1 ILE 15 2HG1 ILE 15 6.277 3.373 -1.485
91 2HG1 ILE 15 1HG1 ILE 15 5.284 4.167 -2.703
92 1HG2 ILE 15 1HG2 ILE 15 4.503 6.420 -1.854
93 2HG2 ILE 15 2HG2 ILE 15 3.867 6.540 -0.215
94 3HG2 ILE 15 3HG2 ILE 15 2.992 5.614 -1.433
95 1HD1 ILE 15 1HD1 ILE 15 6.427 6.332 -1.803
96 2HD1 ILE 15 2HD1 ILE 15 7.274 5.275 -2.933
97 3HD1 ILE 15 3HD1 ILE 15 7.642 5.200 -1.210
98 H CYS 16 H CYS 16 3.812 3.212 1.750
99 HA CYS 16 HA CYS 16 2.391 5.301 3.247
100 1HB CYS 16 2HB CYS 16 1.542 2.528 2.415
101 2HB CYS 16 1HB CYS 16 0.581 3.589 3.442
102 1HN NH2 17 1H CYS 16 4.470 5.052 4.595
103 2HN NH2 17 2H CYS 16 4.377 3.945 5.918
Start of MODEL 15
1 1H GLY 1 1HT GLY 1 -5.746 8.197 -3.240
2 2H GLY 1 2HT GLY 1 -5.637 6.587 -3.753
3 3H GLY 1 3HT GLY 1 -4.832 7.805 -4.609
4 1HA GLY 1 1HA GLY 1 -3.069 7.767 -3.268
5 2HA GLY 1 2HA GLY 1 -4.095 7.741 -1.839
6 H CYS 2 H CYS 2 -1.643 6.176 -2.596
7 HA CYS 2 HA CYS 2 -2.365 3.504 -3.142
8 1HB CYS 2 2HB CYS 2 -0.098 4.301 -3.492
9 2HB CYS 2 1HB CYS 2 0.081 4.649 -1.778
10 H CYS 3 H CYS 3 -1.709 5.179 -0.085
11 HA CYS 3 HA CYS 3 -1.931 3.020 1.650
12 1HB CYS 3 2HB CYS 3 -2.845 5.778 2.402
13 2HB CYS 3 1HB CYS 3 -1.954 4.602 3.367
14 H SER 4 H SER 4 -4.377 4.724 -0.052
15 HA SER 4 HA SER 4 -6.584 4.245 1.638
16 1HB SER 4 2HB SER 4 -6.445 5.836 -0.360
17 2HB SER 4 1HB SER 4 -6.690 4.421 -1.375
18 HG SER 4 HG SER 4 -8.597 4.130 0.197
19 H ASP 5 H ASP 5 -4.939 2.380 -0.803
20 HA ASP 5 HA ASP 5 -6.889 0.211 -0.596
21 1HB ASP 5 2HB ASP 5 -6.156 0.826 -2.852
22 2HB ASP 5 1HB ASP 5 -4.478 0.544 -2.401
23 HA PRO 6 HA PRO 6 -4.443 -1.669 2.592
24 1HB PRO 6 2HB PRO 6 -5.554 -4.191 2.358
25 2HB PRO 6 1HB PRO 6 -6.253 -2.862 3.290
26 1HG PRO 6 2HG PRO 6 -6.930 -3.813 0.539
27 2HG PRO 6 1HG PRO 6 -8.008 -3.253 1.831
28 1HD PRO 6 2HD PRO 6 -7.362 -1.682 -0.252
29 2HD PRO 6 1HD PRO 6 -7.593 -1.019 1.379
30 H ARG 7 H ARG 7 -4.826 -3.287 -0.556
31 HA ARG 7 HA ARG 7 -2.586 -5.005 -0.204
32 1HB ARG 7 2HB ARG 7 -4.151 -5.696 -1.847
33 2HB ARG 7 1HB ARG 7 -4.136 -4.126 -2.637
34 1HG ARG 7 2HG ARG 7 -2.957 -5.816 -3.948
35 2HG ARG 7 1HG ARG 7 -1.877 -4.518 -3.436
36 1HD ARG 7 2HD ARG 7 -1.282 -6.048 -1.467
37 2HD ARG 7 1HD ARG 7 -2.063 -7.330 -2.392
38 HE ARG 7 HE ARG 7 0.523 -6.204 -2.848
39 1HH1 ARG 7 1HH1 ARG 7 -2.195 -7.712 -4.475
40 2HH1 ARG 7 2HH1 ARG 7 -1.258 -8.201 -5.845
41 1HH2 ARG 7 1HH2 ARG 7 1.752 -6.816 -4.629
42 2HH2 ARG 7 2HH2 ARG 7 1.003 -7.696 -5.936
43 H CYS 8 H CYS 8 -3.076 -1.901 -1.828
44 HA CYS 8 HA CYS 8 -0.436 -1.582 -2.771
45 1HB CYS 8 2HB CYS 8 -2.543 -0.206 -3.346
46 2HB CYS 8 1HB CYS 8 -2.182 0.716 -1.891
47 H ASN 9 H ASN 9 -1.976 -0.814 0.301
48 HA ASN 9 HA ASN 9 0.175 0.614 1.464
49 1HB ASN 9 2HB ASN 9 -2.273 0.474 2.252
50 2HB ASN 9 1HB ASN 9 -1.826 -1.058 2.982
51 1HD2 ASN 9 1HD2 ASN 9 0.944 0.487 3.304
52 2HD2 ASN 9 2HD2 ASN 9 0.698 1.302 4.809
53 H TYR 10 H TYR 10 -0.840 -2.774 1.721
54 HA TYR 10 HA TYR 10 1.298 -3.599 3.392
55 1HB TYR 10 2HB TYR 10 -0.857 -4.789 3.227
56 2HB TYR 10 1HB TYR 10 -0.476 -5.241 1.570
57 HD1 TYR 10 1HD TYR 10 -0.032 -7.493 1.417
58 HD2 TYR 10 2HD TYR 10 1.442 -5.351 4.785
59 HE1 TYR 10 1HE TYR 10 1.072 -9.535 2.228
60 HE2 TYR 10 2HE TYR 10 2.551 -7.387 5.604
61 HH TYR 10 HH TYR 10 3.438 -9.677 4.228
62 H ASP 11 H ASP 11 0.965 -3.255 -0.028
63 HA ASP 11 HA ASP 11 3.266 -4.891 -0.681
64 1HB ASP 11 2HB ASP 11 1.150 -4.583 -2.093
65 2HB ASP 11 1HB ASP 11 1.769 -2.995 -2.496
66 H HIS 12 H HIS 12 2.462 -1.520 -0.251
67 HA HIS 12 HA HIS 12 5.277 -0.812 -0.796
68 1HB HIS 12 2HB HIS 12 2.880 0.996 -1.177
69 2HB HIS 12 1HB HIS 12 4.545 1.335 -1.635
70 HD1 HIS 12 1HD HIS 12 1.942 1.189 -3.541
71 HD2 HIS 12 2HD HIS 12 4.924 -1.672 -3.159
72 HE1 HIS 12 1HE HIS 12 1.874 -0.145 -5.669
73 HE2 HIS 12 2HE HIS 12 3.511 -2.024 -5.276
74 HA PRO 13 HA PRO 13 4.090 0.226 3.661
75 1HB PRO 13 2HB PRO 13 6.694 -1.043 4.214
76 2HB PRO 13 1HB PRO 13 5.126 -1.323 4.977
77 1HG PRO 13 2HG PRO 13 6.223 -3.135 3.339
78 2HG PRO 13 1HG PRO 13 4.472 -2.856 3.376
79 1HD PRO 13 2HD PRO 13 6.503 -1.880 1.401
80 2HD PRO 13 1HD PRO 13 4.873 -2.525 1.114
81 H GLU 14 H GLU 14 6.950 0.491 1.706
82 HA GLU 14 HA GLU 14 8.405 2.359 3.221
83 1HB GLU 14 2HB GLU 14 9.454 2.883 0.952
84 2HB GLU 14 1HB GLU 14 9.559 1.216 1.506
85 1HG GLU 14 2HG GLU 14 7.671 0.615 0.085
86 2HG GLU 14 1HG GLU 14 7.545 2.286 -0.461
87 H ILE 15 H ILE 15 6.084 2.771 0.578
88 HA ILE 15 HA ILE 15 6.208 5.628 0.620
89 HB ILE 15 HB ILE 15 4.114 3.838 -0.626
90 1HG1 ILE 15 2HG1 ILE 15 6.586 5.058 -1.875
91 2HG1 ILE 15 1HG1 ILE 15 6.421 3.366 -1.421
92 1HG2 ILE 15 1HG2 ILE 15 3.861 6.468 -0.225
93 2HG2 ILE 15 2HG2 ILE 15 3.221 5.652 -1.651
94 3HG2 ILE 15 3HG2 ILE 15 4.764 6.500 -1.739
95 1HD1 ILE 15 1HD1 ILE 15 5.077 2.883 -3.185
96 2HD1 ILE 15 2HD1 ILE 15 6.009 4.207 -3.886
97 3HD1 ILE 15 3HD1 ILE 15 4.390 4.507 -3.253
98 H CYS 16 H CYS 16 3.841 3.211 1.691
99 HA CYS 16 HA CYS 16 2.429 5.311 3.172
100 1HB CYS 16 2HB CYS 16 1.597 2.532 2.347
101 2HB CYS 16 1HB CYS 16 0.633 3.572 3.393
102 1HN NH2 17 1H CYS 16 4.543 5.038 4.507
103 2HN NH2 17 2H CYS 16 4.424 3.967 5.859
Start of MODEL 16
1 1H GLY 1 1HT GLY 1 -5.243 7.373 -4.647
2 2H GLY 1 2HT GLY 1 -6.121 7.657 -3.229
3 3H GLY 1 3HT GLY 1 -5.877 6.071 -3.769
4 1HA GLY 1 1HA GLY 1 -3.402 7.444 -3.426
5 2HA GLY 1 2HA GLY 1 -4.345 7.410 -1.941
6 H CYS 2 H CYS 2 -1.837 5.980 -2.753
7 HA CYS 2 HA CYS 2 -2.401 3.249 -3.179
8 1HB CYS 2 2HB CYS 2 -0.204 4.197 -3.635
9 2HB CYS 2 1HB CYS 2 0.015 4.575 -1.932
10 H CYS 3 H CYS 3 -1.589 5.002 -0.192
11 HA CYS 3 HA CYS 3 -1.738 2.855 1.577
12 1HB CYS 3 2HB CYS 3 -2.528 5.630 2.389
13 2HB CYS 3 1HB CYS 3 -1.551 4.449 3.261
14 H SER 4 H SER 4 -4.241 4.685 0.069
15 HA SER 4 HA SER 4 -6.344 4.274 1.891
16 1HB SER 4 2HB SER 4 -6.298 5.869 -0.088
17 2HB SER 4 1HB SER 4 -6.612 4.474 -1.113
18 HG SER 4 HG SER 4 -8.429 4.237 0.635
19 H ASP 5 H ASP 5 -4.997 2.363 -0.709
20 HA ASP 5 HA ASP 5 -6.991 0.261 -0.301
21 1HB ASP 5 2HB ASP 5 -6.668 0.550 -2.598
22 2HB ASP 5 1HB ASP 5 -4.936 0.812 -2.423
23 HA PRO 6 HA PRO 6 -4.299 -1.733 2.601
24 1HB PRO 6 2HB PRO 6 -5.501 -4.223 2.406
25 2HB PRO 6 1HB PRO 6 -6.040 -2.914 3.462
26 1HG PRO 6 2HG PRO 6 -7.076 -3.744 0.789
27 2HG PRO 6 1HG PRO 6 -7.967 -3.174 2.213
28 1HD PRO 6 2HD PRO 6 -7.501 -1.580 0.100
29 2HD PRO 6 1HD PRO 6 -7.516 -0.949 1.758
30 H ARG 7 H ARG 7 -4.992 -3.105 -0.586
31 HA ARG 7 HA ARG 7 -2.917 -5.034 -0.561
32 1HB ARG 7 2HB ARG 7 -4.770 -5.164 -2.148
33 2HB ARG 7 1HB ARG 7 -4.272 -3.648 -2.884
34 1HG ARG 7 2HG ARG 7 -3.568 -5.426 -4.297
35 2HG ARG 7 1HG ARG 7 -2.133 -4.742 -3.533
36 1HD ARG 7 2HD ARG 7 -2.283 -6.575 -1.826
37 2HD ARG 7 1HD ARG 7 -3.555 -7.299 -2.812
38 HE ARG 7 HE ARG 7 -1.944 -8.090 -4.216
39 1HH1 ARG 7 1HH1 ARG 7 -0.549 -5.511 -2.300
40 2HH1 ARG 7 2HH1 ARG 7 1.035 -5.680 -3.006
41 1HH2 ARG 7 1HH2 ARG 7 0.180 -8.294 -5.128
42 2HH2 ARG 7 2HH2 ARG 7 1.440 -7.229 -4.580
43 H CYS 8 H CYS 8 -3.127 -1.825 -2.054
44 HA CYS 8 HA CYS 8 -0.438 -1.690 -2.909
45 1HB CYS 8 2HB CYS 8 -2.426 -0.247 -3.644
46 2HB CYS 8 1HB CYS 8 -2.150 0.690 -2.181
47 H ASN 9 H ASN 9 -2.075 -0.711 0.057
48 HA ASN 9 HA ASN 9 0.038 0.691 1.277
49 1HB ASN 9 2HB ASN 9 -2.409 0.578 2.011
50 2HB ASN 9 1HB ASN 9 -2.016 -0.977 2.736
51 1HD2 ASN 9 1HD2 ASN 9 -1.541 -0.905 4.801
52 2HD2 ASN 9 2HD2 ASN 9 -0.861 0.439 5.643
53 H TYR 10 H TYR 10 -0.947 -2.703 1.501
54 HA TYR 10 HA TYR 10 1.140 -3.495 3.263
55 1HB TYR 10 2HB TYR 10 -1.036 -4.689 2.988
56 2HB TYR 10 1HB TYR 10 -0.508 -5.212 1.394
57 HD1 TYR 10 1HD TYR 10 -0.071 -7.476 1.424
58 HD2 TYR 10 2HD TYR 10 1.187 -5.113 4.731
59 HE1 TYR 10 1HE TYR 10 0.988 -9.455 2.427
60 HE2 TYR 10 2HE TYR 10 2.253 -7.086 5.741
61 HH TYR 10 HH TYR 10 3.225 -9.469 4.543
62 H ASP 11 H ASP 11 0.906 -3.093 -0.154
63 HA ASP 11 HA ASP 11 3.205 -4.743 -0.782
64 1HB ASP 11 2HB ASP 11 1.134 -4.266 -2.255
65 2HB ASP 11 1HB ASP 11 1.895 -2.726 -2.598
66 H HIS 12 H HIS 12 2.460 -1.355 -0.291
67 HA HIS 12 HA HIS 12 5.314 -0.722 -0.693
68 1HB HIS 12 2HB HIS 12 3.000 1.162 -1.186
69 2HB HIS 12 1HB HIS 12 4.693 1.422 -1.598
70 HD1 HIS 12 1HD HIS 12 2.029 1.241 -3.517
71 HD2 HIS 12 2HD HIS 12 5.097 -1.525 -3.126
72 HE1 HIS 12 1HE HIS 12 1.996 -0.109 -5.635
73 HE2 HIS 12 2HE HIS 12 3.684 -1.938 -5.228
74 HA PRO 13 HA PRO 13 3.851 0.431 3.682
75 1HB PRO 13 2HB PRO 13 5.897 -0.849 4.974
76 2HB PRO 13 1HB PRO 13 4.325 -1.590 4.652
77 1HG PRO 13 2HG PRO 13 6.901 -1.878 3.158
78 2HG PRO 13 1HG PRO 13 5.705 -3.118 3.582
79 1HD PRO 13 2HD PRO 13 5.842 -2.056 1.113
80 2HD PRO 13 1HD PRO 13 4.298 -2.537 1.844
81 H GLU 14 H GLU 14 6.852 0.386 1.942
82 HA GLU 14 HA GLU 14 8.392 2.107 3.538
83 1HB GLU 14 2HB GLU 14 9.583 0.929 1.918
84 2HB GLU 14 1HB GLU 14 8.415 1.284 0.657
85 1HG GLU 14 2HG GLU 14 9.182 3.616 0.629
86 2HG GLU 14 1HG GLU 14 10.391 3.216 1.846
87 H ILE 15 H ILE 15 6.413 2.769 0.667
88 HA ILE 15 HA ILE 15 6.757 5.589 0.800
89 HB ILE 15 HB ILE 15 4.521 4.138 -0.617
90 1HG1 ILE 15 2HG1 ILE 15 7.302 4.734 -1.661
91 2HG1 ILE 15 1HG1 ILE 15 6.733 3.139 -1.182
92 1HG2 ILE 15 1HG2 ILE 15 4.789 6.081 -2.192
93 2HG2 ILE 15 2HG2 ILE 15 5.875 6.798 -1.001
94 3HG2 ILE 15 3HG2 ILE 15 4.189 6.494 -0.586
95 1HD1 ILE 15 1HD1 ILE 15 6.148 2.859 -3.302
96 2HD1 ILE 15 2HD1 ILE 15 6.368 4.571 -3.666
97 3HD1 ILE 15 3HD1 ILE 15 4.839 4.001 -2.998
98 H CYS 16 H CYS 16 4.153 3.372 1.720
99 HA CYS 16 HA CYS 16 2.625 5.544 2.901
100 1HB CYS 16 2HB CYS 16 2.087 2.602 2.535
101 2HB CYS 16 1HB CYS 16 1.011 3.661 3.442
102 1HN NH2 17 1H CYS 16 5.041 5.277 4.148
103 2HN NH2 17 2H CYS 16 4.825 4.639 5.739
Start of MODEL 17
1 1H GLY 1 1HT GLY 1 -5.269 7.976 -2.597
2 2H GLY 1 2HT GLY 1 -4.273 9.055 -3.435
3 3H GLY 1 3HT GLY 1 -4.706 9.375 -1.831
4 1HA GLY 1 1HA GLY 1 -2.401 8.211 -2.586
5 2HA GLY 1 2HA GLY 1 -3.113 8.082 -0.983
6 H CYS 2 H CYS 2 -1.494 6.167 -2.680
7 HA CYS 2 HA CYS 2 -3.189 4.055 -3.509
8 1HB CYS 2 2HB CYS 2 -0.624 4.570 -3.962
9 2HB CYS 2 1HB CYS 2 -0.401 3.490 -2.597
10 H CYS 3 H CYS 3 -1.875 4.980 -0.447
11 HA CYS 3 HA CYS 3 -1.948 2.617 0.999
12 1HB CYS 3 2HB CYS 3 -2.727 5.261 2.192
13 2HB CYS 3 1HB CYS 3 -1.758 3.967 2.898
14 H SER 4 H SER 4 -4.534 4.494 -0.235
15 HA SER 4 HA SER 4 -6.596 3.915 1.577
16 1HB SER 4 2HB SER 4 -6.653 5.539 -0.395
17 2HB SER 4 1HB SER 4 -6.920 4.133 -1.422
18 HG SER 4 HG SER 4 -8.714 3.728 0.214
19 H ASP 5 H ASP 5 -5.096 2.147 -0.997
20 HA ASP 5 HA ASP 5 -6.937 -0.112 -0.793
21 1HB ASP 5 2HB ASP 5 -6.162 0.517 -3.032
22 2HB ASP 5 1HB ASP 5 -4.487 0.392 -2.514
23 HA PRO 6 HA PRO 6 -4.423 -1.627 2.587
24 1HB PRO 6 2HB PRO 6 -5.555 -4.189 2.458
25 2HB PRO 6 1HB PRO 6 -6.112 -2.853 3.465
26 1HG PRO 6 2HG PRO 6 -7.161 -3.830 0.869
27 2HG PRO 6 1HG PRO 6 -8.022 -3.078 2.222
28 1HD PRO 6 2HD PRO 6 -7.472 -1.759 -0.077
29 2HD PRO 6 1HD PRO 6 -7.541 -0.939 1.494
30 H ARG 7 H ARG 7 -4.870 -3.315 -0.456
31 HA ARG 7 HA ARG 7 -2.725 -5.127 -0.182
32 1HB ARG 7 2HB ARG 7 -4.235 -5.740 -1.818
33 2HB ARG 7 1HB ARG 7 -4.413 -4.100 -2.415
34 1HG ARG 7 2HG ARG 7 -2.034 -4.349 -3.308
35 2HG ARG 7 1HG ARG 7 -2.240 -6.076 -2.993
36 1HD ARG 7 2HD ARG 7 -2.829 -5.252 -5.329
37 2HD ARG 7 1HD ARG 7 -4.031 -6.247 -4.506
38 HE ARG 7 HE ARG 7 -4.522 -3.521 -3.946
39 1HH1 ARG 7 1HH1 ARG 7 -4.725 -5.789 -6.615
40 2HH1 ARG 7 2HH1 ARG 7 -6.056 -4.975 -7.364
41 1HH2 ARG 7 1HH2 ARG 7 -6.284 -2.481 -4.898
42 2HH2 ARG 7 2HH2 ARG 7 -6.944 -3.086 -6.386
43 H CYS 8 H CYS 8 -2.989 -2.002 -1.884
44 HA CYS 8 HA CYS 8 -0.275 -1.869 -2.660
45 1HB CYS 8 2HB CYS 8 -2.173 -0.436 -3.562
46 2HB CYS 8 1HB CYS 8 -2.025 0.536 -2.101
47 H ASN 9 H ASN 9 -1.968 -0.877 0.252
48 HA ASN 9 HA ASN 9 0.114 0.610 1.451
49 1HB ASN 9 2HB ASN 9 -2.336 0.528 2.158
50 2HB ASN 9 1HB ASN 9 -1.973 -1.022 2.907
51 1HD2 ASN 9 1HD2 ASN 9 -1.234 -1.027 4.919
52 2HD2 ASN 9 2HD2 ASN 9 -0.679 0.359 5.784
53 H TYR 10 H TYR 10 -0.885 -2.763 1.788
54 HA TYR 10 HA TYR 10 1.184 -3.522 3.587
55 1HB TYR 10 2HB TYR 10 -0.974 -4.709 3.399
56 2HB TYR 10 1HB TYR 10 -0.545 -5.223 1.773
57 HD1 TYR 10 1HD TYR 10 1.243 -5.229 5.061
58 HD2 TYR 10 2HD TYR 10 -0.086 -7.481 1.704
59 HE1 TYR 10 1HE TYR 10 2.311 -7.237 5.993
60 HE2 TYR 10 2HE TYR 10 0.978 -9.496 2.630
61 HH TYR 10 HH TYR 10 3.217 -9.655 4.584
62 H ASP 11 H ASP 11 0.956 -3.252 0.167
63 HA ASP 11 HA ASP 11 3.222 -4.954 -0.418
64 1HB ASP 11 2HB ASP 11 1.280 -4.734 -1.952
65 2HB ASP 11 1HB ASP 11 1.664 -3.040 -2.183
66 H HIS 12 H HIS 12 2.498 -1.493 -0.273
67 HA HIS 12 HA HIS 12 5.386 -0.968 -0.625
68 1HB HIS 12 2HB HIS 12 3.166 0.952 -1.330
69 2HB HIS 12 1HB HIS 12 4.871 1.082 -1.745
70 HD1 HIS 12 1HD HIS 12 2.219 0.870 -3.664
71 HD2 HIS 12 2HD HIS 12 5.148 -1.993 -3.009
72 HE1 HIS 12 1HE HIS 12 2.097 -0.677 -5.632
73 HE2 HIS 12 2HE HIS 12 3.639 -2.571 -5.018
74 HA PRO 13 HA PRO 13 3.959 0.621 3.620
75 1HB PRO 13 2HB PRO 13 6.414 -0.794 4.468
76 2HB PRO 13 1HB PRO 13 4.798 -0.826 5.182
77 1HG PRO 13 2HG PRO 13 5.746 -2.930 3.845
78 2HG PRO 13 1HG PRO 13 4.042 -2.455 3.718
79 1HD PRO 13 2HD PRO 13 6.293 -1.951 1.801
80 2HD PRO 13 1HD PRO 13 4.625 -2.467 1.467
81 H GLU 14 H GLU 14 6.778 0.551 1.674
82 HA GLU 14 HA GLU 14 8.479 2.317 3.031
83 1HB GLU 14 2HB GLU 14 9.402 2.709 0.683
84 2HB GLU 14 1HB GLU 14 9.390 1.043 1.251
85 1HG GLU 14 2HG GLU 14 7.322 0.640 -0.004
86 2HG GLU 14 1HG GLU 14 7.366 2.300 -0.588
87 H ILE 15 H ILE 15 6.067 2.891 0.493
88 HA ILE 15 HA ILE 15 6.345 5.765 0.688
89 HB ILE 15 HB ILE 15 4.251 4.190 -0.825
90 1HG1 ILE 15 2HG1 ILE 15 6.911 5.236 -1.822
91 2HG1 ILE 15 1HG1 ILE 15 6.534 3.544 -1.519
92 1HG2 ILE 15 1HG2 ILE 15 5.245 7.020 -1.152
93 2HG2 ILE 15 2HG2 ILE 15 3.687 6.534 -0.483
94 3HG2 ILE 15 3HG2 ILE 15 4.054 6.223 -2.180
95 1HD1 ILE 15 1HD1 ILE 15 6.221 3.651 -3.772
96 2HD1 ILE 15 2HD1 ILE 15 5.648 5.318 -3.727
97 3HD1 ILE 15 3HD1 ILE 15 4.587 4.006 -3.213
98 H CYS 16 H CYS 16 3.960 3.277 1.420
99 HA CYS 16 HA CYS 16 2.258 5.194 2.795
100 1HB CYS 16 2HB CYS 16 1.944 2.275 2.106
101 2HB CYS 16 1HB CYS 16 0.774 3.167 3.075
102 1HN NH2 17 1H CYS 16 4.332 5.343 4.233
103 2HN NH2 17 2H CYS 16 4.301 4.361 5.654
Start of MODEL 18
1 1H GLY 1 1HT GLY 1 -4.941 9.364 -1.823
2 2H GLY 1 2HT GLY 1 -5.501 7.967 -2.595
3 3H GLY 1 3HT GLY 1 -4.591 9.103 -3.457
4 1HA GLY 1 1HA GLY 1 -2.658 8.262 -2.788
5 2HA GLY 1 2HA GLY 1 -3.224 8.159 -1.126
6 H CYS 2 H CYS 2 -1.712 6.256 -2.892
7 HA CYS 2 HA CYS 2 -3.346 4.065 -3.575
8 1HB CYS 2 2HB CYS 2 -0.831 4.639 -4.122
9 2HB CYS 2 1HB CYS 2 -0.512 3.663 -2.700
10 H CYS 3 H CYS 3 -1.944 5.089 -0.571
11 HA CYS 3 HA CYS 3 -1.970 2.755 0.918
12 1HB CYS 3 2HB CYS 3 -2.656 5.464 2.032
13 2HB CYS 3 1HB CYS 3 -1.766 4.153 2.807
14 H SER 4 H SER 4 -4.600 4.563 -0.290
15 HA SER 4 HA SER 4 -6.582 4.040 1.641
16 1HB SER 4 2HB SER 4 -6.775 5.644 -0.302
17 2HB SER 4 1HB SER 4 -6.981 4.251 -1.356
18 HG SER 4 HG SER 4 -8.732 3.750 0.337
19 H ASP 5 H ASP 5 -5.207 2.248 -0.986
20 HA ASP 5 HA ASP 5 -7.029 0.002 -0.602
21 1HB ASP 5 2HB ASP 5 -6.512 0.533 -2.906
22 2HB ASP 5 1HB ASP 5 -4.784 0.502 -2.575
23 HA PRO 6 HA PRO 6 -4.335 -1.587 2.558
24 1HB PRO 6 2HB PRO 6 -5.438 -4.137 2.503
25 2HB PRO 6 1HB PRO 6 -6.024 -2.781 3.472
26 1HG PRO 6 2HG PRO 6 -7.016 -3.815 0.855
27 2HG PRO 6 1HG PRO 6 -7.930 -3.161 2.224
28 1HD PRO 6 2HD PRO 6 -7.491 -1.715 0.006
29 2HD PRO 6 1HD PRO 6 -7.517 -0.962 1.615
30 H ARG 7 H ARG 7 -4.833 -3.255 -0.518
31 HA ARG 7 HA ARG 7 -2.712 -5.105 -0.253
32 1HB ARG 7 2HB ARG 7 -3.703 -3.933 -2.851
33 2HB ARG 7 1HB ARG 7 -2.947 -5.498 -2.601
34 1HG ARG 7 2HG ARG 7 -4.861 -6.467 -1.880
35 2HG ARG 7 1HG ARG 7 -5.465 -4.982 -1.138
36 1HD ARG 7 2HD ARG 7 -6.824 -5.579 -3.060
37 2HD ARG 7 1HD ARG 7 -5.953 -4.077 -3.364
38 HE ARG 7 HE ARG 7 -4.569 -6.391 -4.341
39 1HH1 ARG 7 1HH1 ARG 7 -7.006 -3.982 -5.058
40 2HH1 ARG 7 2HH1 ARG 7 -6.945 -4.227 -6.775
41 1HH2 ARG 7 1HH2 ARG 7 -4.462 -6.729 -6.613
42 2HH2 ARG 7 2HH2 ARG 7 -5.486 -5.806 -7.666
43 H CYS 8 H CYS 8 -2.971 -1.941 -1.827
44 HA CYS 8 HA CYS 8 -0.267 -1.772 -2.652
45 1HB CYS 8 2HB CYS 8 -2.225 -0.302 -3.413
46 2HB CYS 8 1HB CYS 8 -1.988 0.608 -1.927
47 H ASN 9 H ASN 9 -1.926 -0.933 0.336
48 HA ASN 9 HA ASN 9 0.209 0.481 1.559
49 1HB ASN 9 2HB ASN 9 -2.211 0.504 2.287
50 2HB ASN 9 1HB ASN 9 -1.965 -1.105 2.949
51 1HD2 ASN 9 1HD2 ASN 9 0.878 0.545 3.363
52 2HD2 ASN 9 2HD2 ASN 9 0.615 1.143 4.963
53 H TYR 10 H TYR 10 -0.851 -2.885 1.763
54 HA TYR 10 HA TYR 10 1.212 -3.727 3.531
55 1HB TYR 10 2HB TYR 10 -0.842 -5.119 1.844
56 2HB TYR 10 1HB TYR 10 0.440 -6.056 2.609
57 HD1 TYR 10 1HD TYR 10 -1.316 -3.079 3.981
58 HD2 TYR 10 2HD TYR 10 -0.743 -7.288 4.214
59 HE1 TYR 10 1HE TYR 10 -2.606 -3.133 6.079
60 HE2 TYR 10 2HE TYR 10 -2.031 -7.352 6.310
61 HH TYR 10 HH TYR 10 -3.225 -4.388 7.819
62 H ASP 11 H ASP 11 1.014 -3.308 0.126
63 HA ASP 11 HA ASP 11 3.280 -5.008 -0.493
64 1HB ASP 11 2HB ASP 11 1.355 -4.726 -2.053
65 2HB ASP 11 1HB ASP 11 1.775 -3.033 -2.228
66 H HIS 12 H HIS 12 2.533 -1.562 -0.276
67 HA HIS 12 HA HIS 12 5.409 -0.966 -0.601
68 1HB HIS 12 2HB HIS 12 3.104 0.916 -1.160
69 2HB HIS 12 1HB HIS 12 4.804 1.155 -1.563
70 HD1 HIS 12 1HD HIS 12 2.207 0.954 -3.526
71 HD2 HIS 12 2HD HIS 12 5.187 -1.874 -2.969
72 HE1 HIS 12 1HE HIS 12 2.138 -0.503 -5.566
73 HE2 HIS 12 2HE HIS 12 3.716 -2.387 -5.018
74 HA PRO 13 HA PRO 13 4.270 0.147 3.757
75 1HB PRO 13 2HB PRO 13 6.950 -0.873 4.344
76 2HB PRO 13 1HB PRO 13 5.395 -1.364 5.017
77 1HG PRO 13 2HG PRO 13 6.797 -2.948 3.350
78 2HG PRO 13 1HG PRO 13 5.022 -2.926 3.365
79 1HD PRO 13 2HD PRO 13 6.920 -1.581 1.471
80 2HD PRO 13 1HD PRO 13 5.413 -2.458 1.122
81 H GLU 14 H GLU 14 7.194 0.695 1.872
82 HA GLU 14 HA GLU 14 8.232 2.736 3.565
83 1HB GLU 14 2HB GLU 14 9.830 3.174 1.807
84 2HB GLU 14 1HB GLU 14 9.645 1.440 1.996
85 1HG GLU 14 2HG GLU 14 8.435 3.136 -0.179
86 2HG GLU 14 1HG GLU 14 9.813 2.057 -0.344
87 H ILE 15 H ILE 15 6.387 2.802 0.525
88 HA ILE 15 HA ILE 15 6.252 5.652 0.428
89 HB ILE 15 HB ILE 15 4.479 3.627 -0.955
90 1HG1 ILE 15 2HG1 ILE 15 6.950 5.044 -1.978
91 2HG1 ILE 15 1HG1 ILE 15 6.908 3.366 -1.447
92 1HG2 ILE 15 1HG2 ILE 15 4.944 6.565 -1.409
93 2HG2 ILE 15 2HG2 ILE 15 3.425 5.759 -1.013
94 3HG2 ILE 15 3HG2 ILE 15 4.174 5.507 -2.591
95 1HD1 ILE 15 1HD1 ILE 15 4.865 3.632 -3.349
96 2HD1 ILE 15 2HD1 ILE 15 6.405 2.786 -3.519
97 3HD1 ILE 15 3HD1 ILE 15 6.271 4.477 -4.001
98 H CYS 16 H CYS 16 4.087 3.097 1.518
99 HA CYS 16 HA CYS 16 2.261 5.128 2.592
100 1HB CYS 16 2HB CYS 16 1.902 2.214 1.927
101 2HB CYS 16 1HB CYS 16 0.741 3.094 2.917
102 1HN NH2 17 1H CYS 16 4.594 4.934 3.933
103 2HN NH2 17 2H CYS 16 4.359 4.168 5.464
Start of MODEL 19
1 1H GLY 1 1HT GLY 1 -4.771 7.712 -4.623
2 2H GLY 1 2HT GLY 1 -5.724 8.050 -3.265
3 3H GLY 1 3HT GLY 1 -5.585 6.459 -3.827
4 1HA GLY 1 1HA GLY 1 -3.038 7.635 -3.246
5 2HA GLY 1 2HA GLY 1 -4.099 7.578 -1.843
6 H CYS 2 H CYS 2 -1.627 6.034 -2.553
7 HA CYS 2 HA CYS 2 -2.352 3.366 -3.163
8 1HB CYS 2 2HB CYS 2 -0.083 4.167 -3.500
9 2HB CYS 2 1HB CYS 2 0.093 4.491 -1.781
10 H CYS 3 H CYS 3 -1.630 4.973 -0.082
11 HA CYS 3 HA CYS 3 -1.930 2.784 1.612
12 1HB CYS 3 2HB CYS 3 -2.707 5.545 2.474
13 2HB CYS 3 1HB CYS 3 -1.785 4.322 3.345
14 H SER 4 H SER 4 -4.298 4.625 -0.046
15 HA SER 4 HA SER 4 -6.521 4.294 1.646
16 1HB SER 4 2HB SER 4 -6.314 5.812 -0.396
17 2HB SER 4 1HB SER 4 -6.611 4.380 -1.374
18 HG SER 4 HG SER 4 -8.534 4.226 0.217
19 H ASP 5 H ASP 5 -4.988 2.280 -0.751
20 HA ASP 5 HA ASP 5 -7.006 0.185 -0.374
21 1HB ASP 5 2HB ASP 5 -6.613 0.448 -2.679
22 2HB ASP 5 1HB ASP 5 -4.879 0.652 -2.453
23 HA PRO 6 HA PRO 6 -4.356 -1.670 2.656
24 1HB PRO 6 2HB PRO 6 -5.533 -4.178 2.523
25 2HB PRO 6 1HB PRO 6 -6.102 -2.841 3.523
26 1HG PRO 6 2HG PRO 6 -7.081 -3.771 0.863
27 2HG PRO 6 1HG PRO 6 -8.003 -3.159 2.249
28 1HD PRO 6 2HD PRO 6 -7.511 -1.637 0.089
29 2HD PRO 6 1HD PRO 6 -7.561 -0.948 1.723
30 H ARG 7 H ARG 7 -4.990 -3.197 -0.477
31 HA ARG 7 HA ARG 7 -2.859 -5.059 -0.321
32 1HB ARG 7 2HB ARG 7 -4.856 -5.152 -1.889
33 2HB ARG 7 1HB ARG 7 -4.056 -3.917 -2.851
34 1HG ARG 7 2HG ARG 7 -2.660 -6.481 -2.199
35 2HG ARG 7 1HG ARG 7 -3.817 -6.392 -3.527
36 1HD ARG 7 2HD ARG 7 -2.488 -5.006 -4.772
37 2HD ARG 7 1HD ARG 7 -1.686 -4.326 -3.358
38 HE ARG 7 HE ARG 7 -1.037 -7.074 -3.685
39 1HH1 ARG 7 1HH1 ARG 7 -0.413 -3.925 -5.034
40 2HH1 ARG 7 2HH1 ARG 7 1.253 -4.257 -5.409
41 1HH2 ARG 7 1HH2 ARG 7 1.154 -7.561 -4.248
42 2HH2 ARG 7 2HH2 ARG 7 2.129 -6.336 -4.990
43 H CYS 8 H CYS 8 -3.169 -1.913 -1.937
44 HA CYS 8 HA CYS 8 -0.506 -1.735 -2.856
45 1HB CYS 8 2HB CYS 8 -2.516 -0.302 -3.541
46 2HB CYS 8 1HB CYS 8 -2.230 0.622 -2.071
47 H ASN 9 H ASN 9 -2.078 -0.775 0.142
48 HA ASN 9 HA ASN 9 0.036 0.635 1.339
49 1HB ASN 9 2HB ASN 9 -2.360 0.547 2.133
50 2HB ASN 9 1HB ASN 9 -2.031 -1.067 2.748
51 1HD2 ASN 9 1HD2 ASN 9 -1.553 -1.154 4.812
52 2HD2 ASN 9 2HD2 ASN 9 -0.822 0.102 5.743
53 H TYR 10 H TYR 10 -0.890 -2.776 1.508
54 HA TYR 10 HA TYR 10 1.246 -3.553 3.223
55 1HB TYR 10 2HB TYR 10 -0.830 -4.989 1.617
56 2HB TYR 10 1HB TYR 10 0.529 -5.901 2.272
57 HD1 TYR 10 1HD TYR 10 -1.217 -3.025 3.858
58 HD2 TYR 10 2HD TYR 10 -0.526 -7.222 3.902
59 HE1 TYR 10 1HE TYR 10 -2.372 -3.185 6.020
60 HE2 TYR 10 2HE TYR 10 -1.683 -7.394 6.066
61 HH TYR 10 HH TYR 10 -2.727 -6.301 7.690
62 H ASP 11 H ASP 11 0.960 -3.090 -0.169
63 HA ASP 11 HA ASP 11 3.244 -4.744 -0.864
64 1HB ASP 11 2HB ASP 11 1.280 -4.367 -2.387
65 2HB ASP 11 1HB ASP 11 1.771 -2.692 -2.537
66 H HIS 12 H HIS 12 2.489 -1.354 -0.352
67 HA HIS 12 HA HIS 12 5.350 -0.719 -0.722
68 1HB HIS 12 2HB HIS 12 3.065 1.201 -1.192
69 2HB HIS 12 1HB HIS 12 4.755 1.413 -1.634
70 HD1 HIS 12 1HD HIS 12 1.994 1.253 -3.452
71 HD2 HIS 12 2HD HIS 12 5.112 -1.477 -3.225
72 HE1 HIS 12 1HE HIS 12 1.881 -0.075 -5.577
73 HE2 HIS 12 2HE HIS 12 3.576 -1.909 -5.246
74 HA PRO 13 HA PRO 13 3.938 0.385 3.668
75 1HB PRO 13 2HB PRO 13 6.427 -1.033 4.375
76 2HB PRO 13 1HB PRO 13 4.809 -1.206 5.058
77 1HG PRO 13 2HG PRO 13 5.871 -3.105 3.499
78 2HG PRO 13 1HG PRO 13 4.141 -2.717 3.441
79 1HD PRO 13 2HD PRO 13 6.332 -1.902 1.564
80 2HD PRO 13 1HD PRO 13 4.678 -2.442 1.199
81 H GLU 14 H GLU 14 6.900 0.435 1.864
82 HA GLU 14 HA GLU 14 8.405 2.240 3.406
83 1HB GLU 14 2HB GLU 14 9.569 2.648 1.164
84 2HB GLU 14 1HB GLU 14 9.554 0.991 1.758
85 1HG GLU 14 2HG GLU 14 7.680 0.472 0.284
86 2HG GLU 14 1HG GLU 14 7.681 2.133 -0.305
87 H ILE 15 H ILE 15 6.197 2.718 0.687
88 HA ILE 15 HA ILE 15 6.495 5.558 0.619
89 HB ILE 15 HB ILE 15 4.305 3.839 -0.565
90 1HG1 ILE 15 2HG1 ILE 15 6.502 3.177 -1.405
91 2HG1 ILE 15 1HG1 ILE 15 5.589 4.002 -2.664
92 1HG2 ILE 15 1HG2 ILE 15 3.343 5.706 -1.269
93 2HG2 ILE 15 2HG2 ILE 15 4.840 6.218 -2.046
94 3HG2 ILE 15 3HG2 ILE 15 4.530 6.643 -0.363
95 1HD1 ILE 15 1HD1 ILE 15 7.765 4.833 -2.834
96 2HD1 ILE 15 2HD1 ILE 15 7.926 5.014 -1.087
97 3HD1 ILE 15 3HD1 ILE 15 6.866 6.096 -1.993
98 H CYS 16 H CYS 16 4.010 3.330 1.809
99 HA CYS 16 HA CYS 16 2.554 5.530 3.038
100 1HB CYS 16 2HB CYS 16 1.983 2.576 2.806
101 2HB CYS 16 1HB CYS 16 0.949 3.700 3.685
102 1HN NH2 17 1H CYS 16 5.017 5.328 4.145
103 2HN NH2 17 2H CYS 16 4.916 4.702 5.751
Start of MODEL 20
1 1H GLY 1 1HT GLY 1 -5.428 9.154 -2.134
2 2H GLY 1 2HT GLY 1 -5.856 7.659 -2.800
3 3H GLY 1 3HT GLY 1 -5.035 8.799 -3.742
4 1HA GLY 1 1HA GLY 1 -3.039 8.217 -2.967
5 2HA GLY 1 2HA GLY 1 -3.646 8.114 -1.319
6 H CYS 2 H CYS 2 -1.904 6.295 -2.984
7 HA CYS 2 HA CYS 2 -3.337 3.945 -3.617
8 1HB CYS 2 2HB CYS 2 -0.855 4.752 -4.135
9 2HB CYS 2 1HB CYS 2 -0.493 3.783 -2.722
10 H CYS 3 H CYS 3 -1.886 5.141 -0.681
11 HA CYS 3 HA CYS 3 -1.786 2.882 0.910
12 1HB CYS 3 2HB CYS 3 -2.497 5.639 1.897
13 2HB CYS 3 1HB CYS 3 -1.567 4.389 2.725
14 H SER 4 H SER 4 -4.527 4.602 -0.212
15 HA SER 4 HA SER 4 -6.368 4.064 1.855
16 1HB SER 4 2HB SER 4 -6.632 5.650 -0.151
17 2HB SER 4 1HB SER 4 -7.066 4.220 -1.080
18 HG SER 4 HG SER 4 -8.625 3.919 0.811
19 H ASP 5 H ASP 5 -5.131 2.246 -0.832
20 HA ASP 5 HA ASP 5 -6.976 0.033 -0.386
21 1HB ASP 5 2HB ASP 5 -6.579 0.377 -2.685
22 2HB ASP 5 1HB ASP 5 -4.852 0.613 -2.441
23 HA PRO 6 HA PRO 6 -4.261 -1.788 2.615
24 1HB PRO 6 2HB PRO 6 -5.343 -4.330 2.434
25 2HB PRO 6 1HB PRO 6 -5.977 -3.028 3.445
26 1HG PRO 6 2HG PRO 6 -6.879 -3.952 0.752
27 2HG PRO 6 1HG PRO 6 -7.846 -3.415 2.138
28 1HD PRO 6 2HD PRO 6 -7.402 -1.818 0.026
29 2HD PRO 6 1HD PRO 6 -7.488 -1.172 1.678
30 H ARG 7 H ARG 7 -4.804 -3.212 -0.562
31 HA ARG 7 HA ARG 7 -2.700 -5.087 -0.497
32 1HB ARG 7 2HB ARG 7 -3.761 -3.675 -2.946
33 2HB ARG 7 1HB ARG 7 -2.967 -5.242 -2.883
34 1HG ARG 7 2HG ARG 7 -4.839 -6.238 -1.808
35 2HG ARG 7 1HG ARG 7 -5.602 -4.667 -1.555
36 1HD ARG 7 2HD ARG 7 -5.808 -4.382 -3.978
37 2HD ARG 7 1HD ARG 7 -5.050 -5.952 -4.228
38 HE ARG 7 HE ARG 7 -7.054 -6.937 -3.803
39 1HH1 ARG 7 1HH1 ARG 7 -7.187 -3.648 -2.549
40 2HH1 ARG 7 2HH1 ARG 7 -8.859 -3.778 -2.096
41 1HH2 ARG 7 1HH2 ARG 7 -9.250 -7.081 -3.192
42 2HH2 ARG 7 2HH2 ARG 7 -10.028 -5.721 -2.458
43 H CYS 8 H CYS 8 -2.893 -1.884 -2.025
44 HA CYS 8 HA CYS 8 -0.173 -1.716 -2.742
45 1HB CYS 8 2HB CYS 8 -2.049 -0.260 -3.613
46 2HB CYS 8 1HB CYS 8 -1.981 0.625 -2.094
47 H ASN 9 H ASN 9 -1.902 -0.871 0.187
48 HA ASN 9 HA ASN 9 0.149 0.592 1.465
49 1HB ASN 9 2HB ASN 9 -2.329 0.453 2.090
50 2HB ASN 9 1HB ASN 9 -1.953 -1.090 2.842
51 1HD2 ASN 9 1HD2 ASN 9 -2.501 2.003 3.508
52 2HD2 ASN 9 2HD2 ASN 9 -1.542 2.197 4.935
53 H TYR 10 H TYR 10 -0.851 -2.795 1.763
54 HA TYR 10 HA TYR 10 1.232 -3.543 3.535
55 1HB TYR 10 2HB TYR 10 -0.820 -4.999 1.918
56 2HB TYR 10 1HB TYR 10 0.496 -5.911 2.656
57 HD1 TYR 10 1HD TYR 10 -0.508 -7.113 4.379
58 HD2 TYR 10 2HD TYR 10 -1.378 -2.966 3.983
59 HE1 TYR 10 1HE TYR 10 -1.738 -7.172 6.507
60 HE2 TYR 10 2HE TYR 10 -2.611 -3.015 6.110
61 HH TYR 10 HH TYR 10 -2.498 -4.561 8.266
62 H ASP 11 H ASP 11 1.025 -3.328 0.088
63 HA ASP 11 HA ASP 11 3.346 -5.001 -0.379
64 1HB ASP 11 2HB ASP 11 1.390 -4.853 -1.949
65 2HB ASP 11 1HB ASP 11 1.872 -3.210 -2.320
66 H HIS 12 H HIS 12 2.544 -1.599 -0.174
67 HA HIS 12 HA HIS 12 5.405 -0.961 -0.589
68 1HB HIS 12 2HB HIS 12 3.086 0.877 -1.229
69 2HB HIS 12 1HB HIS 12 4.784 1.131 -1.615
70 HD1 HIS 12 1HD HIS 12 2.262 0.927 -3.636
71 HD2 HIS 12 2HD HIS 12 5.164 -1.955 -2.941
72 HE1 HIS 12 1HE HIS 12 2.252 -0.543 -5.669
73 HE2 HIS 12 2HE HIS 12 3.769 -2.456 -5.040
74 HA PRO 13 HA PRO 13 3.914 0.413 3.694
75 1HB PRO 13 2HB PRO 13 6.386 -0.943 4.556
76 2HB PRO 13 1HB PRO 13 4.746 -1.085 5.196
77 1HG PRO 13 2HG PRO 13 5.869 -3.065 3.785
78 2HG PRO 13 1HG PRO 13 4.140 -2.695 3.653
79 1HD PRO 13 2HD PRO 13 6.379 -1.970 1.800
80 2HD PRO 13 1HD PRO 13 4.745 -2.551 1.417
81 H GLU 14 H GLU 14 6.937 0.419 1.970
82 HA GLU 14 HA GLU 14 8.344 2.307 3.514
83 1HB GLU 14 2HB GLU 14 9.691 2.609 1.412
84 2HB GLU 14 1HB GLU 14 9.535 0.941 1.949
85 1HG GLU 14 2HG GLU 14 7.691 0.650 0.309
86 2HG GLU 14 1HG GLU 14 8.027 2.273 -0.287
87 H ILE 15 H ILE 15 6.250 2.655 0.684
88 HA ILE 15 HA ILE 15 6.502 5.524 0.626
89 HB ILE 15 HB ILE 15 4.509 3.772 -0.829
90 1HG1 ILE 15 2HG1 ILE 15 7.182 4.821 -1.791
91 2HG1 ILE 15 1HG1 ILE 15 6.866 3.157 -1.318
92 1HG2 ILE 15 1HG2 ILE 15 4.235 6.368 -0.557
93 2HG2 ILE 15 2HG2 ILE 15 3.933 5.589 -2.110
94 3HG2 ILE 15 3HG2 ILE 15 5.463 6.416 -1.821
95 1HD1 ILE 15 1HD1 ILE 15 6.862 3.463 -3.745
96 2HD1 ILE 15 2HD1 ILE 15 5.521 4.597 -3.591
97 3HD1 ILE 15 3HD1 ILE 15 5.301 2.906 -3.143
98 H CYS 16 H CYS 16 3.999 3.173 1.462
99 HA CYS 16 HA CYS 16 2.303 5.277 2.542
100 1HB CYS 16 2HB CYS 16 1.887 2.342 2.019
101 2HB CYS 16 1HB CYS 16 0.711 3.327 2.887
102 1HN NH2 17 1H CYS 16 4.573 5.103 3.994
103 2HN NH2 17 2H CYS 16 4.267 4.383 5.534