Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
556755 | 2lxg RC | 20048 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 H CYS 1 2.351 9.051 -3.941
2 HA CYS 1 HA CYS 1 2.486 6.643 -4.540
3 HB2 CYS 1 2HB CYS 1 3.147 7.634 -2.160
4 HB3 CYS 1 1HB CYS 1 1.816 6.608 -1.617
5 H CYS 2 H CYS 2 1.407 4.480 -3.324
6 HA CYS 2 HA CYS 2 -1.273 4.331 -4.429
7 HB2 CYS 2 2HB CYS 2 -1.130 2.023 -3.456
8 HB3 CYS 2 1HB CYS 2 0.290 2.448 -4.420
9 H ASN 3 H ASN 3 -2.789 2.938 -2.640
10 HA ASN 3 HA ASN 3 -3.193 4.914 -0.424
11 HB2 ASN 3 2HB ASN 3 -5.554 3.942 -0.542
12 HB3 ASN 3 1HB ASN 3 -5.029 4.836 -1.972
13 HD21 ASN 3 1HD2 ASN 3 -6.728 2.153 -1.254
14 HD22 ASN 3 2HD2 ASN 3 -6.276 1.138 -2.537
15 H CYS 4 H CYS 4 -3.158 4.164 1.677
16 HA CYS 4 HA CYS 4 -2.088 1.551 2.268
17 HB2 CYS 4 2HB CYS 4 -3.263 3.862 3.808
18 HB3 CYS 4 1HB CYS 4 -2.785 2.378 4.641
19 H SER 5 H SER 5 -5.208 2.465 1.392
20 HA SER 5 HA SER 5 -6.742 0.768 3.195
21 HB2 SER 5 2HB SER 5 -7.424 1.879 0.457
22 HB3 SER 5 1HB SER 5 -8.566 1.374 1.698
23 HG SER 5 HG SER 5 -8.420 3.371 2.334
24 H SER 6 H SER 6 -4.650 0.067 0.638
25 HA SER 6 HA SER 6 -6.039 -2.545 0.128
26 HB2 SER 6 2HB SER 6 -5.206 -0.424 -1.610
27 HB3 SER 6 1HB SER 6 -4.227 -1.848 -1.968
28 HG SER 6 HG SER 6 -6.517 -1.483 -2.913
29 H LYS 7 H LYS 7 -4.817 -4.338 0.614
30 HA LYS 7 HA LYS 7 -2.347 -4.232 1.990
31 HB2 LYS 7 2HB LYS 7 -4.201 -6.097 1.485
32 HB3 LYS 7 1HB LYS 7 -3.027 -6.576 0.259
33 HG2 LYS 7 2HG LYS 7 -2.437 -7.814 2.207
34 HG3 LYS 7 1HG LYS 7 -1.272 -6.492 2.124
35 HD2 LYS 7 2HD LYS 7 -2.807 -5.182 3.662
36 HD3 LYS 7 1HD LYS 7 -3.727 -6.670 3.885
37 HE2 LYS 7 2HE LYS 7 -1.143 -7.537 4.314
38 HE3 LYS 7 1HE LYS 7 -1.123 -5.910 5.024
39 HZ1 LYS 7 3HZ LYS 7 -3.292 -7.879 5.501
40 HZ2 LYS 7 1HZ LYS 7 -3.052 -6.401 6.295
41 HZ3 LYS 7 2HZ LYS 7 -1.966 -7.682 6.546
42 H TRP 8 H TRP 8 -3.019 -4.536 -1.484
43 HA TRP 8 HA TRP 8 -0.433 -5.178 -2.439
44 HB2 TRP 8 2HB TRP 8 -2.386 -5.175 -3.861
45 HB3 TRP 8 1HB TRP 8 -2.687 -3.466 -3.531
46 HD1 TRP 8 HD TRP 8 -0.562 -5.791 -5.628
47 HE1 TRP 8 1HE TRP 8 0.779 -4.404 -7.339
48 HE3 TRP 8 3HE TRP 8 -1.555 -1.084 -3.917
49 HZ2 TRP 8 2HZ TRP 8 1.355 -1.659 -7.906
50 HZ3 TRP 8 3HZ TRP 8 -0.599 0.897 -5.060
51 HH2 TRP 8 HH TRP 8 0.853 0.616 -7.050
52 H CYS 9 H CYS 9 -1.902 -1.963 -1.888
53 HA CYS 9 HA CYS 9 0.280 -0.324 -2.619
54 HB2 CYS 9 2HB CYS 9 -1.894 0.571 -2.100
55 HB3 CYS 9 1HB CYS 9 -1.867 -0.130 -0.487
56 H ARG 10 H ARG 10 -0.550 -1.582 0.610
57 HA ARG 10 HA ARG 10 1.737 -0.648 2.003
58 HB2 ARG 10 2HB ARG 10 -0.102 -3.032 2.338
59 HB3 ARG 10 1HB ARG 10 1.053 -2.521 3.564
60 HG2 ARG 10 2HG ARG 10 -0.204 -0.730 4.183
61 HG3 ARG 10 1HG ARG 10 -0.640 -0.348 2.517
62 HD2 ARG 10 2HD ARG 10 -2.679 -1.032 3.604
63 HD3 ARG 10 1HD ARG 10 -2.175 -2.412 2.606
64 HE ARG 10 HE ARG 10 -0.881 -2.770 5.061
65 HH11 ARG 10 1HH2 ARG 10 -4.116 -2.429 3.895
66 HH12 ARG 10 2HH2 ARG 10 -4.804 -3.416 5.141
67 HH21 ARG 10 1HH1 ARG 10 -1.771 -4.057 6.690
68 HH22 ARG 10 2HH1 ARG 10 -3.480 -4.336 6.720
69 H ASP 11 H ASP 11 1.293 -3.473 -0.071
70 HA ASP 11 HA ASP 11 3.898 -4.620 0.769
71 HB2 ASP 11 2HB ASP 11 1.482 -5.429 -0.779
72 HB3 ASP 11 1HB ASP 11 3.000 -6.222 -1.201
73 H HIS 12 H HIS 12 2.381 -3.278 -2.183
74 HA HIS 12 HA HIS 12 4.882 -3.513 -3.710
75 HB2 HIS 12 2HB HIS 12 2.047 -2.670 -4.126
76 HB3 HIS 12 1HB HIS 12 3.252 -2.055 -5.263
77 HD1 HIS 12 1HD HIS 12 3.709 -3.567 -7.181
78 HD2 HIS 12 2HD HIS 12 2.379 -5.694 -3.852
79 HE1 HIS 12 1HE HIS 12 3.557 -5.991 -7.896
80 H SER 13 H SER 13 4.172 -1.488 -1.278
81 HA SER 13 HA SER 13 5.949 0.619 -2.299
82 HB2 SER 13 2HB SER 13 3.634 1.982 -1.336
83 HB3 SER 13 1HB SER 13 4.295 1.990 -2.970
84 HG SER 13 HG SER 13 2.569 0.005 -1.899
85 H ARG 14 H ARG 14 6.858 1.824 -0.580
86 HA ARG 14 HA ARG 14 6.244 0.784 2.150
87 HB2 ARG 14 2HB ARG 14 8.590 2.356 1.033
88 HB3 ARG 14 1HB ARG 14 8.504 1.643 2.644
89 HG2 ARG 14 2HG ARG 14 7.854 -0.357 0.675
90 HG3 ARG 14 1HG ARG 14 9.396 0.396 0.266
91 HD2 ARG 14 2HD ARG 14 10.445 -0.425 2.143
92 HD3 ARG 14 1HD ARG 14 8.981 -0.298 3.137
93 HE ARG 14 HE ARG 14 8.341 -2.457 2.401
94 HH11 ARG 14 1HH2 ARG 14 10.862 -1.111 0.460
95 HH12 ARG 14 2HH2 ARG 14 11.136 -2.574 -0.424
96 HH21 ARG 14 1HH1 ARG 14 8.686 -4.364 1.248
97 HH22 ARG 14 2HH1 ARG 14 9.904 -4.412 0.018
98 H CYS 15 H CYS 15 4.874 3.065 0.495
99 HA CYS 15 HA CYS 15 5.449 5.532 1.897
100 HB2 CYS 15 2HB CYS 15 3.059 4.547 0.306
101 HB3 CYS 15 1HB CYS 15 3.332 6.228 0.763
102 H CYS 16 H CYS 16 3.686 2.699 2.743
103 HA CYS 16 HA CYS 16 1.921 4.106 4.667
104 HB2 CYS 16 2HB CYS 16 1.585 1.947 3.088
105 HB3 CYS 16 1HB CYS 16 2.175 1.137 4.543
106 HN1 NH2 17 1H CYS 16 4.996 2.411 4.631
107 HN2 NH2 17 2H CYS 16 5.224 2.367 6.313
Start of MODEL 2
1 H1 CYS 1 H CYS 1 1.649 9.276 -3.473
2 HA CYS 1 HA CYS 1 2.373 7.078 -4.051
3 HB2 CYS 1 2HB CYS 1 2.297 7.046 -1.047
4 HB3 CYS 1 1HB CYS 1 2.481 5.518 -1.918
5 H CYS 2 H CYS 2 1.372 4.650 -3.412
6 HA CYS 2 HA CYS 2 -1.314 4.684 -4.391
7 HB2 CYS 2 2HB CYS 2 -1.195 2.250 -3.693
8 HB3 CYS 2 1HB CYS 2 0.161 2.788 -4.687
9 H ASN 3 H ASN 3 -3.005 3.286 -2.965
10 HA ASN 3 HA ASN 3 -3.452 4.900 -0.517
11 HB2 ASN 3 2HB ASN 3 -5.032 4.048 -2.586
12 HB3 ASN 3 1HB ASN 3 -5.387 2.826 -1.359
13 HD21 ASN 3 1HD2 ASN 3 -6.178 3.645 0.784
14 HD22 ASN 3 2HD2 ASN 3 -6.972 5.144 0.862
15 H CYS 4 H CYS 4 -3.017 4.063 1.485
16 HA CYS 4 HA CYS 4 -1.813 1.522 1.926
17 HB2 CYS 4 2HB CYS 4 -3.161 3.637 3.586
18 HB3 CYS 4 1HB CYS 4 -2.656 2.127 4.352
19 H SER 5 H SER 5 -5.200 2.532 1.943
20 HA SER 5 HA SER 5 -6.531 0.526 3.295
21 HB2 SER 5 2HB SER 5 -7.730 2.281 2.208
22 HB3 SER 5 1HB SER 5 -7.051 1.869 0.636
23 HG SER 5 HG SER 5 -8.820 0.741 0.451
24 H SER 6 H SER 6 -5.110 0.265 0.036
25 HA SER 6 HA SER 6 -5.959 -2.546 -0.225
26 HB2 SER 6 2HB SER 6 -4.910 -0.364 -1.865
27 HB3 SER 6 1HB SER 6 -4.162 -1.913 -2.255
28 HG SER 6 HG SER 6 -6.926 -1.844 -1.866
29 H LYS 7 H LYS 7 -4.778 -4.086 0.833
30 HA LYS 7 HA LYS 7 -2.314 -3.892 2.101
31 HB2 LYS 7 2HB LYS 7 -3.915 -6.032 0.786
32 HB3 LYS 7 1HB LYS 7 -2.241 -6.437 1.167
33 HG2 LYS 7 2HG LYS 7 -2.856 -6.785 3.302
34 HG3 LYS 7 1HG LYS 7 -3.259 -5.073 3.426
35 HD2 LYS 7 2HD LYS 7 -5.500 -5.719 2.306
36 HD3 LYS 7 1HD LYS 7 -5.075 -7.379 2.730
37 HE2 LYS 7 2HE LYS 7 -4.574 -5.912 5.072
38 HE3 LYS 7 1HE LYS 7 -6.111 -5.278 4.451
39 HZ1 LYS 7 3HZ LYS 7 -7.065 -7.371 4.415
40 HZ2 LYS 7 1HZ LYS 7 -6.153 -7.427 5.844
41 HZ3 LYS 7 2HZ LYS 7 -5.570 -8.177 4.436
42 H TRP 8 H TRP 8 -2.935 -4.438 -1.349
43 HA TRP 8 HA TRP 8 -0.354 -5.087 -2.269
44 HB2 TRP 8 2HB TRP 8 -2.271 -5.121 -3.718
45 HB3 TRP 8 1HB TRP 8 -2.613 -3.417 -3.406
46 HD1 TRP 8 HD TRP 8 -0.401 -5.713 -5.452
47 HE1 TRP 8 1HE TRP 8 0.908 -4.315 -7.176
48 HE3 TRP 8 3HE TRP 8 -1.561 -1.009 -3.838
49 HZ2 TRP 8 2HZ TRP 8 1.398 -1.565 -7.791
50 HZ3 TRP 8 3HZ TRP 8 -0.661 0.978 -5.013
51 HH2 TRP 8 HH TRP 8 0.816 0.707 -6.984
52 H CYS 9 H CYS 9 -1.802 -1.844 -1.847
53 HA CYS 9 HA CYS 9 0.369 -0.229 -2.608
54 HB2 CYS 9 2HB CYS 9 -1.867 0.581 -2.013
55 HB3 CYS 9 1HB CYS 9 -1.641 0.055 -0.349
56 H ARG 10 H ARG 10 -0.373 -1.495 0.646
57 HA ARG 10 HA ARG 10 2.029 -0.549 1.899
58 HB2 ARG 10 2HB ARG 10 -0.097 -2.609 2.444
59 HB3 ARG 10 1HB ARG 10 1.277 -2.447 3.532
60 HG2 ARG 10 2HG ARG 10 0.767 -0.073 3.873
61 HG3 ARG 10 1HG ARG 10 -0.577 -0.186 2.738
62 HD2 ARG 10 2HD ARG 10 -0.448 -2.000 5.151
63 HD3 ARG 10 1HD ARG 10 -1.151 -0.374 5.260
64 HE ARG 10 HE ARG 10 -2.326 -1.410 2.990
65 HH11 ARG 10 1HH2 ARG 10 -1.936 -2.480 6.252
66 HH12 ARG 10 2HH2 ARG 10 -3.415 -3.380 6.268
67 HH21 ARG 10 1HH1 ARG 10 -4.256 -2.580 3.003
68 HH22 ARG 10 2HH1 ARG 10 -4.725 -3.439 4.432
69 H ASP 11 H ASP 11 1.235 -3.535 0.164
70 HA ASP 11 HA ASP 11 3.746 -4.843 0.945
71 HB2 ASP 11 2HB ASP 11 1.189 -5.501 -0.203
72 HB3 ASP 11 1HB ASP 11 2.467 -6.133 -1.241
73 H HIS 12 H HIS 12 2.337 -3.766 -2.176
74 HA HIS 12 HA HIS 12 4.753 -4.138 -3.690
75 HB2 HIS 12 2HB HIS 12 2.099 -2.800 -3.985
76 HB3 HIS 12 1HB HIS 12 3.366 -2.350 -5.131
77 HD1 HIS 12 1HD HIS 12 3.437 -3.804 -7.144
78 HD2 HIS 12 2HD HIS 12 1.974 -5.869 -3.831
79 HE1 HIS 12 1HE HIS 12 2.864 -6.135 -7.949
80 H SER 13 H SER 13 3.361 -1.314 -2.021
81 HA SER 13 HA SER 13 5.853 0.218 -2.667
82 HB2 SER 13 2HB SER 13 3.116 1.145 -1.737
83 HB3 SER 13 1HB SER 13 4.444 2.186 -2.254
84 HG SER 13 HG SER 13 2.686 1.490 -3.825
85 H ARG 14 H ARG 14 5.898 2.066 -0.695
86 HA ARG 14 HA ARG 14 5.665 0.670 1.922
87 HB2 ARG 14 2HB ARG 14 8.087 1.324 2.349
88 HB3 ARG 14 1HB ARG 14 7.862 0.058 1.142
89 HG2 ARG 14 2HG ARG 14 9.176 1.365 -0.170
90 HG3 ARG 14 1HG ARG 14 7.715 2.321 -0.403
91 HD2 ARG 14 2HD ARG 14 8.652 3.308 1.995
92 HD3 ARG 14 1HD ARG 14 10.153 2.993 1.100
93 HE ARG 14 HE ARG 14 8.191 5.014 0.419
94 HH11 ARG 14 1HH2 ARG 14 10.410 2.684 -0.839
95 HH12 ARG 14 2HH2 ARG 14 10.659 3.534 -2.327
96 HH21 ARG 14 1HH1 ARG 14 8.507 6.130 -1.520
97 HH22 ARG 14 2HH1 ARG 14 9.586 5.483 -2.712
98 H CYS 15 H CYS 15 4.577 3.140 0.418
99 HA CYS 15 HA CYS 15 5.603 5.428 1.935
100 HB2 CYS 15 2HB CYS 15 3.293 4.936 0.037
101 HB3 CYS 15 1HB CYS 15 3.630 6.519 0.738
102 H CYS 16 H CYS 16 3.771 2.872 2.887
103 HA CYS 16 HA CYS 16 1.640 4.289 4.326
104 HB2 CYS 16 2HB CYS 16 1.933 1.807 3.315
105 HB3 CYS 16 1HB CYS 16 2.451 1.494 4.975
106 HN1 NH2 17 1H CYS 16 4.576 2.427 5.339
107 HN2 NH2 17 2H CYS 16 4.730 3.193 6.846
Start of MODEL 3
1 H1 CYS 1 H CYS 1 2.564 8.599 -2.889
2 HA CYS 1 HA CYS 1 2.319 6.526 -4.270
3 HB2 CYS 1 2HB CYS 1 2.693 4.882 -2.440
4 HB3 CYS 1 1HB CYS 1 3.604 6.374 -2.174
5 H CYS 2 H CYS 2 1.093 4.261 -3.960
6 HA CYS 2 HA CYS 2 -1.602 4.562 -4.701
7 HB2 CYS 2 2HB CYS 2 -1.704 2.109 -3.969
8 HB3 CYS 2 1HB CYS 2 -0.411 2.522 -5.102
9 H ASN 3 H ASN 3 -3.273 3.112 -3.151
10 HA ASN 3 HA ASN 3 -3.613 4.834 -0.755
11 HB2 ASN 3 2HB ASN 3 -5.891 3.921 -0.822
12 HB3 ASN 3 1HB ASN 3 -5.422 4.464 -2.437
13 HD21 ASN 3 1HD2 ASN 3 -7.078 2.018 -1.078
14 HD22 ASN 3 2HD2 ASN 3 -6.649 0.734 -2.103
15 H CYS 4 H CYS 4 -2.458 4.026 0.984
16 HA CYS 4 HA CYS 4 -1.573 1.444 1.517
17 HB2 CYS 4 2HB CYS 4 -2.658 3.614 3.335
18 HB3 CYS 4 1HB CYS 4 -1.795 2.196 3.939
19 H SER 5 H SER 5 -4.846 2.707 1.807
20 HA SER 5 HA SER 5 -6.101 0.863 3.491
21 HB2 SER 5 2HB SER 5 -7.781 2.172 2.734
22 HB3 SER 5 1HB SER 5 -6.760 2.739 1.415
23 HG SER 5 HG SER 5 -8.427 0.444 1.491
24 H SER 6 H SER 6 -4.882 0.371 0.224
25 HA SER 6 HA SER 6 -6.152 -2.296 0.005
26 HB2 SER 6 2HB SER 6 -4.850 -0.287 -1.710
27 HB3 SER 6 1HB SER 6 -4.444 -1.952 -2.134
28 HG SER 6 HG SER 6 -6.441 -0.957 -3.060
29 H LYS 7 H LYS 7 -5.113 -4.035 0.887
30 HA LYS 7 HA LYS 7 -2.663 -4.168 2.160
31 HB2 LYS 7 2HB LYS 7 -4.430 -6.047 0.677
32 HB3 LYS 7 1HB LYS 7 -2.801 -6.630 1.019
33 HG2 LYS 7 2HG LYS 7 -3.157 -5.949 3.426
34 HG3 LYS 7 1HG LYS 7 -4.844 -5.630 3.020
35 HD2 LYS 7 2HD LYS 7 -5.259 -7.811 3.401
36 HD3 LYS 7 1HD LYS 7 -4.313 -8.172 1.956
37 HE2 LYS 7 2HE LYS 7 -2.242 -7.987 3.530
38 HE3 LYS 7 1HE LYS 7 -3.424 -8.200 4.839
39 HZ1 LYS 7 3HZ LYS 7 -4.243 -10.179 3.791
40 HZ2 LYS 7 1HZ LYS 7 -2.563 -10.333 3.972
41 HZ3 LYS 7 2HZ LYS 7 -3.221 -9.958 2.452
42 H TRP 8 H TRP 8 -3.235 -4.691 -1.333
43 HA TRP 8 HA TRP 8 -0.645 -5.353 -2.183
44 HB2 TRP 8 2HB TRP 8 -2.469 -5.387 -3.719
45 HB3 TRP 8 1HB TRP 8 -2.891 -3.707 -3.369
46 HD1 TRP 8 HD TRP 8 -0.266 -5.822 -5.194
47 HE1 TRP 8 1HE TRP 8 0.931 -4.331 -6.923
48 HE3 TRP 8 3HE TRP 8 -2.295 -1.290 -4.005
49 HZ2 TRP 8 2HZ TRP 8 1.021 -1.579 -7.696
50 HZ3 TRP 8 3HZ TRP 8 -1.639 0.748 -5.252
51 HH2 TRP 8 HH TRP 8 0.015 0.610 -7.096
52 H CYS 9 H CYS 9 -2.040 -2.051 -2.043
53 HA CYS 9 HA CYS 9 0.178 -0.499 -2.670
54 HB2 CYS 9 2HB CYS 9 -2.138 0.254 -2.086
55 HB3 CYS 9 1HB CYS 9 -1.784 -0.068 -0.391
56 H ARG 10 H ARG 10 -0.645 -1.837 0.533
57 HA ARG 10 HA ARG 10 1.612 -0.860 1.964
58 HB2 ARG 10 2HB ARG 10 -0.143 -3.317 2.233
59 HB3 ARG 10 1HB ARG 10 0.979 -2.781 3.478
60 HG2 ARG 10 2HG ARG 10 -0.326 -1.001 4.081
61 HG3 ARG 10 1HG ARG 10 -0.874 -0.717 2.427
62 HD2 ARG 10 2HD ARG 10 -2.551 -2.366 2.563
63 HD3 ARG 10 1HD ARG 10 -1.775 -3.171 3.942
64 HE ARG 10 HE ARG 10 -3.575 -0.930 4.128
65 HH11 ARG 10 1HH2 ARG 10 -0.663 -2.292 5.390
66 HH12 ARG 10 2HH2 ARG 10 -0.824 -1.530 6.936
67 HH21 ARG 10 1HH1 ARG 10 -3.795 0.071 6.142
68 HH22 ARG 10 2HH1 ARG 10 -2.592 -0.193 7.362
69 H ASP 11 H ASP 11 1.118 -3.859 0.097
70 HA ASP 11 HA ASP 11 3.895 -4.733 0.679
71 HB2 ASP 11 2HB ASP 11 1.522 -5.933 -0.776
72 HB3 ASP 11 1HB ASP 11 3.074 -6.754 -0.604
73 H HIS 12 H HIS 12 2.821 -2.469 -1.308
74 HA HIS 12 HA HIS 12 4.691 -3.266 -3.507
75 HB2 HIS 12 2HB HIS 12 1.799 -2.514 -3.568
76 HB3 HIS 12 1HB HIS 12 2.818 -1.938 -4.892
77 HD1 HIS 12 1HD HIS 12 3.205 -3.566 -6.742
78 HD2 HIS 12 2HD HIS 12 2.109 -5.491 -3.211
79 HE1 HIS 12 1HE HIS 12 2.998 -6.027 -7.301
80 H SER 13 H SER 13 4.614 -1.301 -1.094
81 HA SER 13 HA SER 13 5.853 0.945 -2.546
82 HB2 SER 13 2HB SER 13 3.255 1.098 -1.006
83 HB3 SER 13 1HB SER 13 4.250 2.524 -1.300
84 HG SER 13 HG SER 13 2.964 0.823 -3.157
85 H ARG 14 H ARG 14 6.117 2.760 -0.556
86 HA ARG 14 HA ARG 14 7.104 1.266 1.844
87 HB2 ARG 14 2HB ARG 14 9.170 2.642 1.699
88 HB3 ARG 14 1HB ARG 14 8.952 1.630 0.271
89 HG2 ARG 14 2HG ARG 14 7.615 3.843 -0.530
90 HG3 ARG 14 1HG ARG 14 8.809 4.584 0.537
91 HD2 ARG 14 2HD ARG 14 10.199 4.470 -1.271
92 HD3 ARG 14 1HD ARG 14 10.322 2.743 -0.877
93 HE ARG 14 HE ARG 14 7.944 3.391 -2.442
94 HH11 ARG 14 1HH2 ARG 14 11.312 2.624 -2.482
95 HH12 ARG 14 2HH2 ARG 14 11.275 1.969 -4.084
96 HH21 ARG 14 1HH1 ARG 14 7.886 2.537 -4.533
97 HH22 ARG 14 2HH1 ARG 14 9.340 1.920 -5.244
98 H CYS 15 H CYS 15 5.112 3.649 0.725
99 HA CYS 15 HA CYS 15 5.670 5.714 2.735
100 HB2 CYS 15 2HB CYS 15 3.801 6.819 1.637
101 HB3 CYS 15 1HB CYS 15 4.824 6.095 0.398
102 H CYS 16 H CYS 16 3.540 2.932 2.384
103 HA CYS 16 HA CYS 16 1.621 3.651 4.403
104 HB2 CYS 16 2HB CYS 16 2.586 1.012 3.256
105 HB3 CYS 16 1HB CYS 16 1.140 1.195 4.247
106 HN1 NH2 17 1H CYS 16 4.934 2.754 4.672
107 HN2 NH2 17 2H CYS 16 4.925 2.291 6.306
Start of MODEL 4
1 H1 CYS 1 H CYS 1 2.293 7.551 -5.426
2 HA CYS 1 HA CYS 1 3.108 5.085 -4.128
3 HB2 CYS 1 2HB CYS 1 2.764 7.615 -2.608
4 HB3 CYS 1 1HB CYS 1 2.012 6.184 -1.898
5 H CYS 2 H CYS 2 0.897 4.773 -2.409
6 HA CYS 2 HA CYS 2 -1.509 5.409 -4.045
7 HB2 CYS 2 2HB CYS 2 -2.075 2.905 -3.834
8 HB3 CYS 2 1HB CYS 2 -0.800 3.334 -4.976
9 H ASN 3 H ASN 3 -3.288 3.735 -2.670
10 HA ASN 3 HA ASN 3 -3.367 5.079 -0.023
11 HB2 ASN 3 2HB ASN 3 -5.711 4.247 -0.075
12 HB3 ASN 3 1HB ASN 3 -5.306 5.153 -1.536
13 HD21 ASN 3 1HD2 ASN 3 -7.141 2.649 -0.845
14 HD22 ASN 3 2HD2 ASN 3 -6.789 1.587 -2.121
15 H CYS 4 H CYS 4 -3.084 4.005 1.864
16 HA CYS 4 HA CYS 4 -1.959 1.347 1.927
17 HB2 CYS 4 2HB CYS 4 -3.067 3.258 4.001
18 HB3 CYS 4 1HB CYS 4 -2.170 1.788 4.406
19 H SER 5 H SER 5 -5.158 2.421 1.645
20 HA SER 5 HA SER 5 -6.627 0.658 3.324
21 HB2 SER 5 2HB SER 5 -7.019 2.443 1.069
22 HB3 SER 5 1HB SER 5 -8.038 1.016 0.910
23 HG SER 5 HG SER 5 -7.841 2.281 3.401
24 H SER 6 H SER 6 -4.808 0.020 0.415
25 HA SER 6 HA SER 6 -6.069 -2.695 0.215
26 HB2 SER 6 2HB SER 6 -5.383 -0.626 -1.655
27 HB3 SER 6 1HB SER 6 -4.434 -2.066 -2.031
28 HG SER 6 HG SER 6 -7.198 -1.659 -2.056
29 H LYS 7 H LYS 7 -4.814 -4.368 0.897
30 HA LYS 7 HA LYS 7 -2.302 -4.301 2.057
31 HB2 LYS 7 2HB LYS 7 -3.630 -6.373 0.287
32 HB3 LYS 7 1HB LYS 7 -2.178 -6.712 1.230
33 HG2 LYS 7 2HG LYS 7 -3.377 -6.089 3.298
34 HG3 LYS 7 1HG LYS 7 -4.831 -5.762 2.355
35 HD2 LYS 7 2HD LYS 7 -5.322 -7.971 2.115
36 HD3 LYS 7 1HD LYS 7 -3.633 -8.417 1.869
37 HE2 LYS 7 2HE LYS 7 -3.826 -9.328 3.966
38 HE3 LYS 7 1HE LYS 7 -3.622 -7.652 4.515
39 HZ1 LYS 7 3HZ LYS 7 -6.278 -8.553 3.644
40 HZ2 LYS 7 1HZ LYS 7 -5.866 -7.356 4.772
41 HZ3 LYS 7 2HZ LYS 7 -5.739 -8.999 5.193
42 H TRP 8 H TRP 8 -3.013 -4.680 -1.421
43 HA TRP 8 HA TRP 8 -0.458 -5.107 -2.465
44 HB2 TRP 8 2HB TRP 8 -2.399 -5.108 -3.867
45 HB3 TRP 8 1HB TRP 8 -2.817 -3.455 -3.406
46 HD1 TRP 8 HD TRP 8 -0.471 -5.456 -5.635
47 HE1 TRP 8 1HE TRP 8 0.690 -3.853 -7.287
48 HE3 TRP 8 3HE TRP 8 -2.010 -0.969 -3.742
49 HZ2 TRP 8 2HZ TRP 8 0.932 -1.041 -7.746
50 HZ3 TRP 8 3HZ TRP 8 -1.302 1.152 -4.808
51 HH2 TRP 8 HH TRP 8 0.168 1.124 -6.805
52 H CYS 9 H CYS 9 -1.981 -1.920 -1.837
53 HA CYS 9 HA CYS 9 0.172 -0.244 -2.533
54 HB2 CYS 9 2HB CYS 9 -2.223 0.292 -1.808
55 HB3 CYS 9 1HB CYS 9 -1.662 0.114 -0.147
56 H ARG 10 H ARG 10 -0.503 -1.814 0.608
57 HA ARG 10 HA ARG 10 1.806 -0.759 1.964
58 HB2 ARG 10 2HB ARG 10 -0.065 -3.106 2.357
59 HB3 ARG 10 1HB ARG 10 1.181 -2.682 3.525
60 HG2 ARG 10 2HG ARG 10 0.218 -0.389 3.677
61 HG3 ARG 10 1HG ARG 10 -1.078 -0.894 2.593
62 HD2 ARG 10 2HD ARG 10 -0.729 -2.764 4.817
63 HD3 ARG 10 1HD ARG 10 -1.124 -1.124 5.364
64 HE ARG 10 HE ARG 10 -2.823 -1.562 3.201
65 HH11 ARG 10 1HH2 ARG 10 -2.103 -3.118 6.202
66 HH12 ARG 10 2HH2 ARG 10 -3.706 -3.742 6.409
67 HH21 ARG 10 1HH1 ARG 10 -4.914 -2.375 3.462
68 HH22 ARG 10 2HH1 ARG 10 -5.294 -3.322 4.861
69 H ASP 11 H ASP 11 1.311 -3.472 -0.202
70 HA ASP 11 HA ASP 11 3.935 -4.661 0.552
71 HB2 ASP 11 2HB ASP 11 1.721 -5.538 -1.329
72 HB3 ASP 11 1HB ASP 11 3.126 -6.509 -0.886
73 H HIS 12 H HIS 12 2.467 -2.690 -1.918
74 HA HIS 12 HA HIS 12 4.766 -3.175 -3.765
75 HB2 HIS 12 2HB HIS 12 1.937 -2.228 -3.971
76 HB3 HIS 12 1HB HIS 12 3.091 -1.638 -5.173
77 HD1 HIS 12 1HD HIS 12 3.980 -3.307 -6.893
78 HD2 HIS 12 2HD HIS 12 1.550 -5.088 -4.012
79 HE1 HIS 12 1HE HIS 12 3.536 -5.669 -7.692
80 H SER 13 H SER 13 3.850 -1.043 -1.331
81 HA SER 13 HA SER 13 5.762 1.007 -2.334
82 HB2 SER 13 2HB SER 13 3.354 2.119 -1.074
83 HB3 SER 13 1HB SER 13 4.153 2.590 -2.573
84 HG SER 13 HG SER 13 2.784 1.406 -3.639
85 H ARG 14 H ARG 14 6.612 2.336 -0.576
86 HA ARG 14 HA ARG 14 6.395 0.983 2.075
87 HB2 ARG 14 2HB ARG 14 8.534 2.214 2.494
88 HB3 ARG 14 1HB ARG 14 8.617 1.166 1.079
89 HG2 ARG 14 2HG ARG 14 7.637 3.672 0.176
90 HG3 ARG 14 1HG ARG 14 9.009 4.013 1.229
91 HD2 ARG 14 2HD ARG 14 10.036 1.930 -0.170
92 HD3 ARG 14 1HD ARG 14 8.958 2.624 -1.398
93 HE ARG 14 HE ARG 14 10.164 4.855 -0.360
94 HH11 ARG 14 1HH2 ARG 14 11.339 1.812 -1.503
95 HH12 ARG 14 2HH2 ARG 14 12.842 2.460 -2.068
96 HH21 ARG 14 1HH1 ARG 14 12.118 5.707 -1.093
97 HH22 ARG 14 2HH1 ARG 14 13.283 4.662 -1.837
98 H CYS 15 H CYS 15 5.084 3.615 0.485
99 HA CYS 15 HA CYS 15 5.255 5.782 2.289
100 HB2 CYS 15 2HB CYS 15 3.284 4.734 0.296
101 HB3 CYS 15 1HB CYS 15 2.772 6.059 1.343
102 H CYS 16 H CYS 16 3.246 2.864 2.406
103 HA CYS 16 HA CYS 16 1.574 3.685 4.606
104 HB2 CYS 16 2HB CYS 16 2.410 1.020 3.422
105 HB3 CYS 16 1HB CYS 16 1.152 1.191 4.645
106 HN1 NH2 17 1H CYS 16 4.095 4.435 5.525
107 HN2 NH2 17 2H CYS 16 4.644 3.371 6.727
Start of MODEL 5
1 H1 CYS 1 H CYS 1 1.888 9.058 -2.423
2 HA CYS 1 HA CYS 1 2.147 6.935 -4.288
3 HB2 CYS 1 2HB CYS 1 2.541 7.463 -1.422
4 HB3 CYS 1 1HB CYS 1 2.217 5.764 -1.784
5 H CYS 2 H CYS 2 1.180 4.642 -3.693
6 HA CYS 2 HA CYS 2 -1.577 4.597 -4.271
7 HB2 CYS 2 2HB CYS 2 -1.344 2.208 -3.403
8 HB3 CYS 2 1HB CYS 2 -0.160 2.689 -4.622
9 H ASN 3 H ASN 3 -3.119 3.311 -2.628
10 HA ASN 3 HA ASN 3 -3.224 4.973 -0.150
11 HB2 ASN 3 2HB ASN 3 -5.064 4.325 -2.101
12 HB3 ASN 3 1HB ASN 3 -5.457 3.171 -0.821
13 HD21 ASN 3 1HD2 ASN 3 -4.831 4.722 1.471
14 HD22 ASN 3 2HD2 ASN 3 -5.888 6.048 1.546
15 H CYS 4 H CYS 4 -2.989 4.056 1.834
16 HA CYS 4 HA CYS 4 -1.913 1.424 2.164
17 HB2 CYS 4 2HB CYS 4 -3.213 3.440 4.014
18 HB3 CYS 4 1HB CYS 4 -2.375 1.997 4.596
19 H SER 5 H SER 5 -5.146 2.511 1.743
20 HA SER 5 HA SER 5 -6.562 0.547 3.296
21 HB2 SER 5 2HB SER 5 -7.583 2.585 2.417
22 HB3 SER 5 1HB SER 5 -7.233 2.084 0.765
23 HG SER 5 HG SER 5 -9.427 1.659 1.730
24 H SER 6 H SER 6 -4.625 0.251 0.504
25 HA SER 6 HA SER 6 -5.991 -2.286 -0.316
26 HB2 SER 6 2HB SER 6 -4.798 -0.034 -1.669
27 HB3 SER 6 1HB SER 6 -3.972 -1.517 -2.147
28 HG SER 6 HG SER 6 -5.802 -1.139 -3.443
29 H LYS 7 H LYS 7 -5.009 -4.090 0.485
30 HA LYS 7 HA LYS 7 -2.596 -4.275 1.888
31 HB2 LYS 7 2HB LYS 7 -4.488 -6.027 0.504
32 HB3 LYS 7 1HB LYS 7 -2.851 -6.685 0.500
33 HG2 LYS 7 2HG LYS 7 -3.172 -7.347 2.626
34 HG3 LYS 7 1HG LYS 7 -3.258 -5.649 3.093
35 HD2 LYS 7 2HD LYS 7 -5.760 -6.227 1.950
36 HD3 LYS 7 1HD LYS 7 -5.385 -7.613 2.974
37 HE2 LYS 7 2HE LYS 7 -5.111 -4.749 3.938
38 HE3 LYS 7 1HE LYS 7 -6.578 -5.718 4.178
39 HZ1 LYS 7 3HZ LYS 7 -4.854 -5.862 6.002
40 HZ2 LYS 7 1HZ LYS 7 -3.881 -6.709 4.900
41 HZ3 LYS 7 2HZ LYS 7 -5.388 -7.343 5.362
42 H TRP 8 H TRP 8 -3.126 -4.433 -1.622
43 HA TRP 8 HA TRP 8 -0.550 -5.270 -2.452
44 HB2 TRP 8 2HB TRP 8 -2.344 -5.120 -4.023
45 HB3 TRP 8 1HB TRP 8 -2.659 -3.432 -3.610
46 HD1 TRP 8 HD TRP 8 -0.227 -5.651 -5.544
47 HE1 TRP 8 1HE TRP 8 1.167 -4.171 -7.130
48 HE3 TRP 8 3HE TRP 8 -1.743 -1.032 -3.990
49 HZ2 TRP 8 2HZ TRP 8 1.584 -1.390 -7.665
50 HZ3 TRP 8 3HZ TRP 8 -0.833 1.013 -5.052
51 HH2 TRP 8 HH TRP 8 0.827 0.841 -6.885
52 H CYS 9 H CYS 9 -1.766 -1.900 -2.201
53 HA CYS 9 HA CYS 9 0.576 -0.475 -2.681
54 HB2 CYS 9 2HB CYS 9 -1.576 0.565 -2.261
55 HB3 CYS 9 1HB CYS 9 -1.616 -0.073 -0.621
56 H ARG 10 H ARG 10 -0.526 -1.611 0.526
57 HA ARG 10 HA ARG 10 1.808 -0.912 1.985
58 HB2 ARG 10 2HB ARG 10 -0.353 -3.009 2.269
59 HB3 ARG 10 1HB ARG 10 0.866 -2.746 3.511
60 HG2 ARG 10 2HG ARG 10 0.044 -0.669 4.085
61 HG3 ARG 10 1HG ARG 10 -0.577 -0.353 2.466
62 HD2 ARG 10 2HD ARG 10 -2.366 -0.778 4.232
63 HD3 ARG 10 1HD ARG 10 -2.453 -1.859 2.827
64 HE ARG 10 HE ARG 10 -0.703 -3.032 4.744
65 HH11 ARG 10 1HH2 ARG 10 -4.022 -2.205 4.265
66 HH12 ARG 10 2HH2 ARG 10 -4.620 -3.482 5.269
67 HH21 ARG 10 1HH1 ARG 10 -1.472 -4.701 6.057
68 HH22 ARG 10 2HH1 ARG 10 -3.179 -4.896 6.281
69 H ASP 11 H ASP 11 1.073 -3.715 -0.028
70 HA ASP 11 HA ASP 11 3.607 -5.037 0.807
71 HB2 ASP 11 2HB ASP 11 0.970 -5.821 -0.046
72 HB3 ASP 11 1HB ASP 11 2.166 -6.528 -1.134
73 H HIS 12 H HIS 12 2.837 -2.702 -1.344
74 HA HIS 12 HA HIS 12 4.825 -3.707 -3.352
75 HB2 HIS 12 2HB HIS 12 2.053 -2.611 -3.655
76 HB3 HIS 12 1HB HIS 12 3.237 -2.247 -4.914
77 HD1 HIS 12 1HD HIS 12 3.578 -4.020 -6.641
78 HD2 HIS 12 2HD HIS 12 1.861 -5.565 -3.170
79 HE1 HIS 12 1HE HIS 12 3.053 -6.449 -7.122
80 H SER 13 H SER 13 4.538 -1.573 -0.981
81 HA SER 13 HA SER 13 6.436 0.306 -2.104
82 HB2 SER 13 2HB SER 13 4.759 2.255 -1.915
83 HB3 SER 13 1HB SER 13 4.566 1.176 -3.297
84 HG SER 13 HG SER 13 3.236 0.695 -0.854
85 H ARG 14 H ARG 14 7.081 1.923 -0.488
86 HA ARG 14 HA ARG 14 6.443 1.041 2.292
87 HB2 ARG 14 2HB ARG 14 8.555 2.328 2.770
88 HB3 ARG 14 1HB ARG 14 8.782 1.015 1.614
89 HG2 ARG 14 2HG ARG 14 9.380 2.447 -0.024
90 HG3 ARG 14 1HG ARG 14 7.984 3.480 0.284
91 HD2 ARG 14 2HD ARG 14 9.290 4.987 1.354
92 HD3 ARG 14 1HD ARG 14 9.899 3.730 2.448
93 HE ARG 14 HE ARG 14 11.251 4.682 0.056
94 HH11 ARG 14 1HH2 ARG 14 10.633 1.970 2.102
95 HH12 ARG 14 2HH2 ARG 14 12.111 1.165 1.698
96 HH21 ARG 14 1HH1 ARG 14 13.184 3.641 -0.476
97 HH22 ARG 14 2HH1 ARG 14 13.554 2.109 0.242
98 H CYS 15 H CYS 15 5.393 3.331 0.130
99 HA CYS 15 HA CYS 15 5.446 5.809 1.494
100 HB2 CYS 15 2HB CYS 15 3.239 4.587 -0.195
101 HB3 CYS 15 1HB CYS 15 3.511 6.310 0.066
102 H CYS 16 H CYS 16 3.777 2.895 2.306
103 HA CYS 16 HA CYS 16 1.708 4.232 3.926
104 HB2 CYS 16 2HB CYS 16 2.486 1.472 3.078
105 HB3 CYS 16 1HB CYS 16 1.487 1.636 4.524
106 HN1 NH2 17 1H CYS 16 4.979 3.679 4.403
107 HN2 NH2 17 2H CYS 16 4.992 3.497 6.091
Start of MODEL 6
1 H1 CYS 1 H CYS 1 2.618 6.866 -5.816
2 HA CYS 1 HA CYS 1 3.026 5.714 -3.378
3 HB2 CYS 1 2HB CYS 1 3.288 8.027 -2.513
4 HB3 CYS 1 1HB CYS 1 1.622 8.380 -2.984
5 H CYS 2 H CYS 2 1.028 4.774 -2.384
6 HA CYS 2 HA CYS 2 -1.381 5.021 -4.151
7 HB2 CYS 2 2HB CYS 2 -1.561 2.497 -3.796
8 HB3 CYS 2 1HB CYS 2 -0.208 3.024 -4.801
9 H ASN 3 H ASN 3 -3.250 3.681 -2.921
10 HA ASN 3 HA ASN 3 -3.526 4.969 -0.287
11 HB2 ASN 3 2HB ASN 3 -5.832 4.110 -0.497
12 HB3 ASN 3 1HB ASN 3 -5.331 4.908 -1.992
13 HD21 ASN 3 1HD2 ASN 3 -7.127 2.378 -1.180
14 HD22 ASN 3 2HD2 ASN 3 -6.676 1.245 -2.362
15 H CYS 4 H CYS 4 -2.730 3.933 1.495
16 HA CYS 4 HA CYS 4 -1.790 1.281 1.655
17 HB2 CYS 4 2HB CYS 4 -2.720 3.405 3.545
18 HB3 CYS 4 1HB CYS 4 -2.436 1.789 4.200
19 H SER 5 H SER 5 -5.068 2.521 1.932
20 HA SER 5 HA SER 5 -6.477 0.606 3.328
21 HB2 SER 5 2HB SER 5 -7.119 1.798 0.612
22 HB3 SER 5 1HB SER 5 -8.302 1.081 1.703
23 HG SER 5 HG SER 5 -7.840 2.679 3.199
24 H SER 6 H SER 6 -5.046 0.218 0.103
25 HA SER 6 HA SER 6 -6.165 -2.506 -0.176
26 HB2 SER 6 2HB SER 6 -5.085 -0.393 -1.835
27 HB3 SER 6 1HB SER 6 -4.294 -1.925 -2.203
28 HG SER 6 HG SER 6 -6.640 -1.143 -3.010
29 H LYS 7 H LYS 7 -5.085 -4.196 0.735
30 HA LYS 7 HA LYS 7 -2.684 -4.250 2.093
31 HB2 LYS 7 2HB LYS 7 -4.092 -6.255 0.327
32 HB3 LYS 7 1HB LYS 7 -2.617 -6.695 1.186
33 HG2 LYS 7 2HG LYS 7 -4.124 -5.421 3.135
34 HG3 LYS 7 1HG LYS 7 -5.329 -6.328 2.222
35 HD2 LYS 7 2HD LYS 7 -2.922 -7.903 2.671
36 HD3 LYS 7 1HD LYS 7 -3.634 -7.358 4.190
37 HE2 LYS 7 2HE LYS 7 -5.228 -8.704 1.980
38 HE3 LYS 7 1HE LYS 7 -4.578 -9.555 3.395
39 HZ1 LYS 7 3HZ LYS 7 -6.617 -8.902 4.183
40 HZ2 LYS 7 1HZ LYS 7 -6.645 -7.470 3.274
41 HZ3 LYS 7 2HZ LYS 7 -5.668 -7.576 4.660
42 H TRP 8 H TRP 8 -3.113 -4.587 -1.432
43 HA TRP 8 HA TRP 8 -0.479 -5.188 -2.214
44 HB2 TRP 8 2HB TRP 8 -2.244 -5.158 -3.821
45 HB3 TRP 8 1HB TRP 8 -2.691 -3.500 -3.406
46 HD1 TRP 8 HD TRP 8 0.022 -5.510 -5.222
47 HE1 TRP 8 1HE TRP 8 1.288 -3.926 -6.815
48 HE3 TRP 8 3HE TRP 8 -2.076 -1.051 -3.881
49 HZ2 TRP 8 2HZ TRP 8 1.394 -1.134 -7.439
50 HZ3 TRP 8 3HZ TRP 8 -1.375 1.051 -4.989
51 HH2 TRP 8 HH TRP 8 0.356 1.016 -6.763
52 H CYS 9 H CYS 9 -1.922 -1.901 -1.989
53 HA CYS 9 HA CYS 9 0.312 -0.315 -2.445
54 HB2 CYS 9 2HB CYS 9 -2.050 0.377 -1.901
55 HB3 CYS 9 1HB CYS 9 -1.710 0.036 -0.206
56 H ARG 10 H ARG 10 -0.622 -1.833 0.643
57 HA ARG 10 HA ARG 10 1.580 -0.913 2.204
58 HB2 ARG 10 2HB ARG 10 -0.158 -3.397 2.325
59 HB3 ARG 10 1HB ARG 10 0.868 -2.839 3.639
60 HG2 ARG 10 2HG ARG 10 -0.571 -1.188 4.227
61 HG3 ARG 10 1HG ARG 10 -0.890 -0.752 2.547
62 HD2 ARG 10 2HD ARG 10 -2.627 -2.302 2.333
63 HD3 ARG 10 1HD ARG 10 -1.995 -3.335 3.631
64 HE ARG 10 HE ARG 10 -3.764 -1.092 4.015
65 HH11 ARG 10 1HH2 ARG 10 -0.991 -2.712 5.285
66 HH12 ARG 10 2HH2 ARG 10 -1.279 -2.201 6.913
67 HH21 ARG 10 1HH1 ARG 10 -4.150 -0.423 6.135
68 HH22 ARG 10 2HH1 ARG 10 -3.068 -0.912 7.396
69 H ASP 11 H ASP 11 1.192 -3.739 0.076
70 HA ASP 11 HA ASP 11 3.946 -4.656 0.763
71 HB2 ASP 11 2HB ASP 11 1.685 -6.032 0.577
72 HB3 ASP 11 1HB ASP 11 2.087 -6.038 -1.142
73 H HIS 12 H HIS 12 2.610 -2.523 -1.388
74 HA HIS 12 HA HIS 12 4.742 -3.096 -3.415
75 HB2 HIS 12 2HB HIS 12 1.785 -2.756 -3.687
76 HB3 HIS 12 1HB HIS 12 2.802 -2.073 -4.961
77 HD1 HIS 12 1HD HIS 12 3.754 -3.681 -6.653
78 HD2 HIS 12 2HD HIS 12 2.242 -5.647 -3.301
79 HE1 HIS 12 1HE HIS 12 3.848 -6.158 -7.172
80 H SER 13 H SER 13 4.838 -1.206 -1.213
81 HA SER 13 HA SER 13 5.543 1.201 -2.677
82 HB2 SER 13 2HB SER 13 3.670 2.475 -2.329
83 HB3 SER 13 1HB SER 13 2.871 0.909 -2.192
84 HG SER 13 HG SER 13 2.998 2.759 -0.373
85 H ARG 14 H ARG 14 5.829 3.057 -0.875
86 HA ARG 14 HA ARG 14 6.968 1.766 1.582
87 HB2 ARG 14 2HB ARG 14 8.751 3.529 1.393
88 HB3 ARG 14 1HB ARG 14 8.737 2.409 0.032
89 HG2 ARG 14 2HG ARG 14 6.937 4.514 -0.608
90 HG3 ARG 14 1HG ARG 14 8.417 5.261 -0.004
91 HD2 ARG 14 2HD ARG 14 8.302 3.142 -2.183
92 HD3 ARG 14 1HD ARG 14 8.583 4.874 -2.445
93 HE ARG 14 HE ARG 14 10.516 2.986 -1.332
94 HH11 ARG 14 1HH2 ARG 14 9.406 6.252 -1.487
95 HH12 ARG 14 2HH2 ARG 14 10.935 6.929 -1.040
96 HH21 ARG 14 1HH1 ARG 14 12.516 3.859 -0.742
97 HH22 ARG 14 2HH1 ARG 14 12.692 5.578 -0.616
98 H CYS 15 H CYS 15 4.466 3.525 0.626
99 HA CYS 15 HA CYS 15 4.633 5.896 2.315
100 HB2 CYS 15 2HB CYS 15 2.542 4.426 0.721
101 HB3 CYS 15 1HB CYS 15 2.067 5.750 1.783
102 H CYS 16 H CYS 16 3.547 2.576 2.703
103 HA CYS 16 HA CYS 16 2.219 3.163 5.285
104 HB2 CYS 16 2HB CYS 16 2.122 1.186 3.198
105 HB3 CYS 16 1HB CYS 16 2.449 0.376 4.735
106 HN1 NH2 17 1H CYS 16 4.819 3.862 5.716
107 HN2 NH2 17 2H CYS 16 5.671 2.657 6.554
Start of MODEL 7
1 H1 CYS 1 H CYS 1 1.417 9.017 -2.807
2 HA CYS 1 HA CYS 1 2.741 6.337 -3.042
3 HB2 CYS 1 2HB CYS 1 3.241 7.328 -0.947
4 HB3 CYS 1 1HB CYS 1 1.603 7.961 -0.760
5 H CYS 2 H CYS 2 1.402 4.496 -3.075
6 HA CYS 2 HA CYS 2 -1.219 4.757 -4.205
7 HB2 CYS 2 2HB CYS 2 -1.245 2.264 -3.747
8 HB3 CYS 2 1HB CYS 2 0.177 2.831 -4.628
9 H ASN 3 H ASN 3 -3.167 3.667 -3.157
10 HA ASN 3 HA ASN 3 -3.781 4.960 -0.638
11 HB2 ASN 3 2HB ASN 3 -5.930 3.737 -0.954
12 HB3 ASN 3 1HB ASN 3 -5.416 4.561 -2.430
13 HD21 ASN 3 1HD2 ASN 3 -6.860 1.785 -1.627
14 HD22 ASN 3 2HD2 ASN 3 -6.161 0.714 -2.743
15 H CYS 4 H CYS 4 -3.555 4.127 1.412
16 HA CYS 4 HA CYS 4 -2.242 1.546 1.796
17 HB2 CYS 4 2HB CYS 4 -3.236 3.828 3.485
18 HB3 CYS 4 1HB CYS 4 -2.744 2.319 4.261
19 H SER 5 H SER 5 -5.354 2.161 1.015
20 HA SER 5 HA SER 5 -6.765 0.592 3.039
21 HB2 SER 5 2HB SER 5 -7.367 1.863 0.378
22 HB3 SER 5 1HB SER 5 -8.538 0.770 1.110
23 HG SER 5 HG SER 5 -9.100 2.548 2.113
24 H SER 6 H SER 6 -4.969 -0.109 0.158
25 HA SER 6 HA SER 6 -6.186 -2.834 -0.026
26 HB2 SER 6 2HB SER 6 -5.591 -0.887 -1.905
27 HB3 SER 6 1HB SER 6 -4.231 -2.003 -2.048
28 HG SER 6 HG SER 6 -5.539 -3.504 -2.778
29 H LYS 7 H LYS 7 -5.006 -4.506 0.811
30 HA LYS 7 HA LYS 7 -2.543 -4.295 2.139
31 HB2 LYS 7 2HB LYS 7 -3.855 -6.242 2.450
32 HB3 LYS 7 1HB LYS 7 -4.004 -6.523 0.716
33 HG2 LYS 7 2HG LYS 7 -1.239 -6.517 1.802
34 HG3 LYS 7 1HG LYS 7 -2.258 -7.878 2.277
35 HD2 LYS 7 2HD LYS 7 -2.562 -8.592 0.061
36 HD3 LYS 7 1HD LYS 7 -2.123 -7.018 -0.605
37 HE2 LYS 7 2HE LYS 7 0.197 -7.352 -0.148
38 HE3 LYS 7 1HE LYS 7 -0.139 -8.735 0.913
39 HZ1 LYS 7 3HZ LYS 7 -1.058 -9.931 -0.955
40 HZ2 LYS 7 1HZ LYS 7 0.525 -9.448 -1.324
41 HZ3 LYS 7 2HZ LYS 7 -0.794 -8.605 -1.984
42 H TRP 8 H TRP 8 -3.209 -4.572 -1.291
43 HA TRP 8 HA TRP 8 -0.637 -5.411 -2.215
44 HB2 TRP 8 2HB TRP 8 -2.496 -5.434 -3.711
45 HB3 TRP 8 1HB TRP 8 -2.908 -3.755 -3.346
46 HD1 TRP 8 HD TRP 8 -0.324 -5.868 -5.231
47 HE1 TRP 8 1HE TRP 8 0.840 -4.380 -6.984
48 HE3 TRP 8 3HE TRP 8 -2.318 -1.328 -4.003
49 HZ2 TRP 8 2HZ TRP 8 0.919 -1.631 -7.763
50 HZ3 TRP 8 3HZ TRP 8 -1.678 0.707 -5.265
51 HH2 TRP 8 HH TRP 8 -0.064 0.560 -7.143
52 H CYS 9 H CYS 9 -2.031 -2.112 -2.013
53 HA CYS 9 HA CYS 9 0.247 -0.605 -2.670
54 HB2 CYS 9 2HB CYS 9 -1.920 0.395 -2.353
55 HB3 CYS 9 1HB CYS 9 -2.010 -0.183 -0.693
56 H ARG 10 H ARG 10 -0.823 -1.450 0.641
57 HA ARG 10 HA ARG 10 1.378 -0.522 2.093
58 HB2 ARG 10 2HB ARG 10 -0.426 -2.935 2.396
59 HB3 ARG 10 1HB ARG 10 0.680 -2.406 3.659
60 HG2 ARG 10 2HG ARG 10 -0.585 -0.586 4.194
61 HG3 ARG 10 1HG ARG 10 -1.029 -0.281 2.514
62 HD2 ARG 10 2HD ARG 10 -2.934 -1.060 4.067
63 HD3 ARG 10 1HD ARG 10 -2.731 -1.984 2.565
64 HE ARG 10 HE ARG 10 -1.935 -3.814 3.846
65 HH11 ARG 10 1HH2 ARG 10 -1.983 -0.871 5.656
66 HH12 ARG 10 2HH2 ARG 10 -1.600 -1.640 7.158
67 HH21 ARG 10 1HH1 ARG 10 -1.438 -4.825 5.803
68 HH22 ARG 10 2HH1 ARG 10 -1.295 -3.873 7.244
69 H ASP 11 H ASP 11 1.070 -3.503 0.194
70 HA ASP 11 HA ASP 11 3.799 -4.352 1.047
71 HB2 ASP 11 2HB ASP 11 1.450 -5.694 0.746
72 HB3 ASP 11 1HB ASP 11 2.178 -5.966 -0.839
73 H HIS 12 H HIS 12 2.414 -2.500 -1.391
74 HA HIS 12 HA HIS 12 4.530 -3.313 -3.361
75 HB2 HIS 12 2HB HIS 12 1.689 -2.380 -3.556
76 HB3 HIS 12 1HB HIS 12 2.792 -1.979 -4.873
77 HD1 HIS 12 1HD HIS 12 3.099 -3.750 -6.596
78 HD2 HIS 12 2HD HIS 12 1.744 -5.345 -2.991
79 HE1 HIS 12 1HE HIS 12 2.711 -6.219 -7.006
80 H SER 13 H SER 13 4.717 -1.337 -1.062
81 HA SER 13 HA SER 13 6.029 0.801 -2.551
82 HB2 SER 13 2HB SER 13 4.462 2.567 -1.668
83 HB3 SER 13 1HB SER 13 3.716 1.479 -2.839
84 HG SER 13 HG SER 13 3.495 1.477 -0.012
85 H ARG 14 H ARG 14 7.082 2.341 -1.064
86 HA ARG 14 HA ARG 14 7.487 1.160 1.658
87 HB2 ARG 14 2HB ARG 14 9.671 2.264 1.530
88 HB3 ARG 14 1HB ARG 14 9.415 1.317 0.065
89 HG2 ARG 14 2HG ARG 14 9.458 3.156 -1.244
90 HG3 ARG 14 1HG ARG 14 8.358 4.030 -0.177
91 HD2 ARG 14 2HD ARG 14 10.776 3.842 1.262
92 HD3 ARG 14 1HD ARG 14 11.239 4.279 -0.394
93 HE ARG 14 HE ARG 14 8.929 5.792 0.431
94 HH11 ARG 14 1HH2 ARG 14 12.350 5.482 0.817
95 HH12 ARG 14 2HH2 ARG 14 12.587 7.155 1.197
96 HH21 ARG 14 1HH1 ARG 14 9.232 7.974 0.926
97 HH22 ARG 14 2HH1 ARG 14 10.828 8.562 1.258
98 H CYS 15 H CYS 15 5.442 3.233 0.499
99 HA CYS 15 HA CYS 15 6.080 5.584 2.198
100 HB2 CYS 15 2HB CYS 15 4.143 6.537 0.950
101 HB3 CYS 15 1HB CYS 15 5.384 5.909 -0.131
102 H CYS 16 H CYS 16 3.641 3.010 1.842
103 HA CYS 16 HA CYS 16 1.817 3.970 3.838
104 HB2 CYS 16 2HB CYS 16 1.633 2.128 1.998
105 HB3 CYS 16 1HB CYS 16 2.335 1.062 3.220
106 HN1 NH2 17 1H CYS 16 3.416 4.623 5.595
107 HN2 NH2 17 2H CYS 16 3.998 3.433 6.657
Start of MODEL 8
1 H1 CYS 1 H CYS 1 2.338 8.914 -2.199
2 HA CYS 1 HA CYS 1 2.237 6.906 -3.843
3 HB2 CYS 1 2HB CYS 1 2.311 6.763 -0.840
4 HB3 CYS 1 1HB CYS 1 2.414 5.269 -1.778
5 H CYS 2 H CYS 2 1.131 4.652 -3.811
6 HA CYS 2 HA CYS 2 -1.572 4.774 -4.421
7 HB2 CYS 2 2HB CYS 2 -1.498 2.290 -3.805
8 HB3 CYS 2 1HB CYS 2 -0.248 2.838 -4.927
9 H ASN 3 H ASN 3 -3.400 3.746 -3.147
10 HA ASN 3 HA ASN 3 -3.635 5.058 -0.539
11 HB2 ASN 3 2HB ASN 3 -5.300 4.047 -2.629
12 HB3 ASN 3 1HB ASN 3 -5.778 3.248 -1.129
13 HD21 ASN 3 1HD2 ASN 3 -6.977 4.476 0.373
14 HD22 ASN 3 2HD2 ASN 3 -7.280 6.139 0.212
15 H CYS 4 H CYS 4 -3.139 4.093 1.386
16 HA CYS 4 HA CYS 4 -2.068 1.449 1.604
17 HB2 CYS 4 2HB CYS 4 -3.147 3.541 3.492
18 HB3 CYS 4 1HB CYS 4 -2.588 1.981 4.107
19 H SER 5 H SER 5 -5.309 2.548 1.368
20 HA SER 5 HA SER 5 -6.828 0.837 2.963
21 HB2 SER 5 2HB SER 5 -8.499 1.050 1.107
22 HB3 SER 5 1HB SER 5 -7.737 2.583 1.521
23 HG SER 5 HG SER 5 -7.066 0.838 -0.618
24 H SER 6 H SER 6 -4.979 0.037 0.065
25 HA SER 6 HA SER 6 -6.033 -2.758 0.160
26 HB2 SER 6 2HB SER 6 -5.746 -0.991 -1.899
27 HB3 SER 6 1HB SER 6 -4.218 -1.868 -2.001
28 HG SER 6 HG SER 6 -5.343 -3.768 -2.211
29 H LYS 7 H LYS 7 -4.717 -4.328 0.974
30 HA LYS 7 HA LYS 7 -2.212 -3.885 2.194
31 HB2 LYS 7 2HB LYS 7 -3.597 -6.291 0.996
32 HB3 LYS 7 1HB LYS 7 -2.039 -6.443 1.809
33 HG2 LYS 7 2HG LYS 7 -2.956 -6.167 3.864
34 HG3 LYS 7 1HG LYS 7 -3.997 -4.853 3.316
35 HD2 LYS 7 2HD LYS 7 -5.613 -6.394 2.426
36 HD3 LYS 7 1HD LYS 7 -4.526 -7.762 2.668
37 HE2 LYS 7 2HE LYS 7 -5.486 -6.039 4.971
38 HE3 LYS 7 1HE LYS 7 -6.340 -7.505 4.448
39 HZ1 LYS 7 3HZ LYS 7 -4.848 -8.421 5.893
40 HZ2 LYS 7 1HZ LYS 7 -3.668 -7.234 5.623
41 HZ3 LYS 7 2HZ LYS 7 -3.913 -8.464 4.475
42 H TRP 8 H TRP 8 -3.034 -4.402 -1.163
43 HA TRP 8 HA TRP 8 -0.518 -5.243 -2.205
44 HB2 TRP 8 2HB TRP 8 -2.480 -5.307 -3.567
45 HB3 TRP 8 1HB TRP 8 -2.848 -3.610 -3.246
46 HD1 TRP 8 HD TRP 8 -0.741 -5.865 -5.432
47 HE1 TRP 8 1HE TRP 8 0.440 -4.447 -7.233
48 HE3 TRP 8 3HE TRP 8 -1.838 -1.174 -3.727
49 HZ2 TRP 8 2HZ TRP 8 0.864 -1.690 -7.864
50 HZ3 TRP 8 3HZ TRP 8 -1.031 0.825 -4.946
51 HH2 TRP 8 HH TRP 8 0.317 0.574 -7.012
52 H CYS 9 H CYS 9 -1.893 -1.967 -1.821
53 HA CYS 9 HA CYS 9 0.307 -0.455 -2.766
54 HB2 CYS 9 2HB CYS 9 -1.868 0.500 -2.271
55 HB3 CYS 9 1HB CYS 9 -1.741 0.027 -0.580
56 H ARG 10 H ARG 10 -0.471 -1.336 0.605
57 HA ARG 10 HA ARG 10 1.874 -0.338 1.832
58 HB2 ARG 10 2HB ARG 10 -0.003 -2.635 2.447
59 HB3 ARG 10 1HB ARG 10 1.201 -2.042 3.586
60 HG2 ARG 10 2HG ARG 10 0.063 -0.098 3.999
61 HG3 ARG 10 1HG ARG 10 -0.547 0.014 2.348
62 HD2 ARG 10 2HD ARG 10 -2.386 -0.465 3.947
63 HD3 ARG 10 1HD ARG 10 -2.152 -1.829 2.835
64 HE ARG 10 HE ARG 10 -0.452 -2.140 5.132
65 HH11 ARG 10 1HH2 ARG 10 -3.733 -2.314 4.072
66 HH12 ARG 10 2HH2 ARG 10 -4.189 -3.486 5.260
67 HH21 ARG 10 1HH1 ARG 10 -1.037 -3.669 6.685
68 HH22 ARG 10 2HH1 ARG 10 -2.666 -4.253 6.736
69 H ASP 11 H ASP 11 1.302 -3.388 0.122
70 HA ASP 11 HA ASP 11 3.919 -4.486 0.958
71 HB2 ASP 11 2HB ASP 11 1.475 -5.374 -0.518
72 HB3 ASP 11 1HB ASP 11 2.982 -6.233 -0.840
73 H HIS 12 H HIS 12 2.325 -3.640 -2.143
74 HA HIS 12 HA HIS 12 4.699 -3.945 -3.742
75 HB2 HIS 12 2HB HIS 12 1.959 -2.772 -3.987
76 HB3 HIS 12 1HB HIS 12 3.149 -2.326 -5.211
77 HD1 HIS 12 1HD HIS 12 2.859 -3.811 -7.183
78 HD2 HIS 12 2HD HIS 12 2.346 -5.905 -3.616
79 HE1 HIS 12 1HE HIS 12 2.459 -6.229 -7.824
80 H SER 13 H SER 13 3.893 -1.603 -1.438
81 HA SER 13 HA SER 13 5.965 0.244 -2.544
82 HB2 SER 13 2HB SER 13 3.627 1.492 -1.233
83 HB3 SER 13 1HB SER 13 4.481 1.972 -2.700
84 HG SER 13 HG SER 13 2.940 1.035 -3.759
85 H ARG 14 H ARG 14 6.500 1.939 -0.744
86 HA ARG 14 HA ARG 14 6.310 0.674 1.964
87 HB2 ARG 14 2HB ARG 14 8.719 1.475 2.205
88 HB3 ARG 14 1HB ARG 14 8.462 0.121 1.104
89 HG2 ARG 14 2HG ARG 14 8.356 1.761 -0.792
90 HG3 ARG 14 1HG ARG 14 8.799 3.035 0.349
91 HD2 ARG 14 2HD ARG 14 10.922 2.442 -0.371
92 HD3 ARG 14 1HD ARG 14 10.730 1.256 0.936
93 HE ARG 14 HE ARG 14 10.512 -0.433 -0.699
94 HH11 ARG 14 1HH2 ARG 14 9.983 2.713 -2.025
95 HH12 ARG 14 2HH2 ARG 14 9.836 2.141 -3.652
96 HH21 ARG 14 1HH1 ARG 14 10.320 -1.186 -2.817
97 HH22 ARG 14 2HH1 ARG 14 10.024 -0.062 -4.101
98 H CYS 15 H CYS 15 4.893 2.996 0.635
99 HA CYS 15 HA CYS 15 5.971 5.387 1.970
100 HB2 CYS 15 2HB CYS 15 3.406 4.837 0.439
101 HB3 CYS 15 1HB CYS 15 4.010 6.436 0.877
102 H CYS 16 H CYS 16 3.399 3.018 2.452
103 HA CYS 16 HA CYS 16 1.803 4.345 4.372
104 HB2 CYS 16 2HB CYS 16 1.901 1.905 3.154
105 HB3 CYS 16 1HB CYS 16 2.380 1.469 4.797
106 HN1 NH2 17 1H CYS 16 2.977 5.498 6.021
107 HN2 NH2 17 2H CYS 16 3.998 4.734 7.141
Start of MODEL 9
1 H1 CYS 1 H CYS 1 2.662 8.410 -2.302
2 HA CYS 1 HA CYS 1 2.556 6.430 -4.050
3 HB2 CYS 1 2HB CYS 1 2.895 4.838 -2.250
4 HB3 CYS 1 1HB CYS 1 3.575 6.385 -1.734
5 H CYS 2 H CYS 2 1.252 4.191 -3.795
6 HA CYS 2 HA CYS 2 -1.376 4.573 -4.754
7 HB2 CYS 2 2HB CYS 2 -1.589 2.114 -4.071
8 HB3 CYS 2 1HB CYS 2 -0.203 2.509 -5.093
9 H ASN 3 H ASN 3 -3.081 2.977 -3.219
10 HA ASN 3 HA ASN 3 -3.607 4.784 -0.914
11 HB2 ASN 3 2HB ASN 3 -5.858 4.038 -1.149
12 HB3 ASN 3 1HB ASN 3 -5.252 4.185 -2.802
13 HD21 ASN 3 1HD2 ASN 3 -7.282 2.258 -1.335
14 HD22 ASN 3 2HD2 ASN 3 -6.820 0.730 -1.909
15 H CYS 4 H CYS 4 -3.054 4.094 1.105
16 HA CYS 4 HA CYS 4 -1.932 1.543 1.705
17 HB2 CYS 4 2HB CYS 4 -3.036 3.901 3.183
18 HB3 CYS 4 1HB CYS 4 -2.723 2.427 4.106
19 H SER 5 H SER 5 -5.259 2.673 1.644
20 HA SER 5 HA SER 5 -6.629 0.884 3.271
21 HB2 SER 5 2HB SER 5 -7.681 1.273 0.520
22 HB3 SER 5 1HB SER 5 -8.440 1.627 2.070
23 HG SER 5 HG SER 5 -7.142 3.274 0.416
24 H SER 6 H SER 6 -5.148 0.236 0.115
25 HA SER 6 HA SER 6 -6.161 -2.557 0.143
26 HB2 SER 6 2HB SER 6 -5.442 -0.581 -1.785
27 HB3 SER 6 1HB SER 6 -4.363 -1.958 -2.008
28 HG SER 6 HG SER 6 -6.001 -3.128 -2.644
29 H LYS 7 H LYS 7 -4.928 -4.078 1.150
30 HA LYS 7 HA LYS 7 -2.434 -3.796 2.344
31 HB2 LYS 7 2HB LYS 7 -4.090 -5.994 1.235
32 HB3 LYS 7 1HB LYS 7 -2.392 -6.395 1.502
33 HG2 LYS 7 2HG LYS 7 -3.666 -6.895 3.523
34 HG3 LYS 7 1HG LYS 7 -2.595 -5.528 3.833
35 HD2 LYS 7 2HD LYS 7 -4.599 -4.045 3.166
36 HD3 LYS 7 1HD LYS 7 -5.576 -5.500 3.369
37 HE2 LYS 7 2HE LYS 7 -3.739 -5.104 5.612
38 HE3 LYS 7 1HE LYS 7 -4.866 -3.747 5.413
39 HZ1 LYS 7 3HZ LYS 7 -6.704 -5.185 5.436
40 HZ2 LYS 7 1HZ LYS 7 -5.727 -5.722 6.715
41 HZ3 LYS 7 2HZ LYS 7 -5.742 -6.572 5.243
42 H TRP 8 H TRP 8 -3.075 -4.815 -1.032
43 HA TRP 8 HA TRP 8 -0.493 -5.385 -1.924
44 HB2 TRP 8 2HB TRP 8 -2.367 -5.611 -3.395
45 HB3 TRP 8 1HB TRP 8 -2.820 -3.915 -3.191
46 HD1 TRP 8 HD TRP 8 -0.316 -6.167 -4.978
47 HE1 TRP 8 1HE TRP 8 0.882 -4.799 -6.805
48 HE3 TRP 8 3HE TRP 8 -2.094 -1.503 -3.897
49 HZ2 TRP 8 2HZ TRP 8 1.063 -2.085 -7.690
50 HZ3 TRP 8 3HZ TRP 8 -1.394 0.453 -5.247
51 HH2 TRP 8 HH TRP 8 0.181 0.168 -7.141
52 H CYS 9 H CYS 9 -2.040 -2.151 -1.922
53 HA CYS 9 HA CYS 9 0.045 -0.530 -2.778
54 HB2 CYS 9 2HB CYS 9 -2.219 0.206 -2.105
55 HB3 CYS 9 1HB CYS 9 -1.831 -0.131 -0.420
56 H ARG 10 H ARG 10 -0.515 -1.628 0.572
57 HA ARG 10 HA ARG 10 1.859 -0.539 1.716
58 HB2 ARG 10 2HB ARG 10 -0.017 -2.821 2.344
59 HB3 ARG 10 1HB ARG 10 1.302 -2.384 3.424
60 HG2 ARG 10 2HG ARG 10 0.403 -0.024 3.433
61 HG3 ARG 10 1HG ARG 10 -1.004 -0.629 2.555
62 HD2 ARG 10 2HD ARG 10 -1.014 -2.423 4.541
63 HD3 ARG 10 1HD ARG 10 -0.206 -1.094 5.393
64 HE ARG 10 HE ARG 10 -2.540 -0.232 3.862
65 HH11 ARG 10 1HH2 ARG 10 -1.334 -1.526 6.830
66 HH12 ARG 10 2HH2 ARG 10 -2.658 -0.932 7.775
67 HH21 ARG 10 1HH1 ARG 10 -4.268 0.551 5.090
68 HH22 ARG 10 2HH1 ARG 10 -4.315 0.242 6.794
69 H ASP 11 H ASP 11 1.266 -3.481 -0.123
70 HA ASP 11 HA ASP 11 3.875 -4.660 0.613
71 HB2 ASP 11 2HB ASP 11 1.330 -5.452 -0.572
72 HB3 ASP 11 1HB ASP 11 2.700 -6.110 -1.466
73 H HIS 12 H HIS 12 2.387 -2.952 -2.108
74 HA HIS 12 HA HIS 12 4.826 -3.381 -3.762
75 HB2 HIS 12 2HB HIS 12 1.980 -2.568 -4.164
76 HB3 HIS 12 1HB HIS 12 3.168 -1.965 -5.324
77 HD1 HIS 12 1HD HIS 12 4.013 -3.591 -7.059
78 HD2 HIS 12 2HD HIS 12 1.943 -5.509 -3.990
79 HE1 HIS 12 1HE HIS 12 3.768 -6.011 -7.764
80 H SER 13 H SER 13 4.190 -1.365 -1.337
81 HA SER 13 HA SER 13 5.703 0.872 -2.592
82 HB2 SER 13 2HB SER 13 3.119 1.123 -1.021
83 HB3 SER 13 1HB SER 13 4.074 2.468 -1.639
84 HG SER 13 HG SER 13 2.922 0.390 -3.200
85 H ARG 14 H ARG 14 6.096 2.559 -0.630
86 HA ARG 14 HA ARG 14 6.673 1.030 1.872
87 HB2 ARG 14 2HB ARG 14 8.949 1.943 1.847
88 HB3 ARG 14 1HB ARG 14 8.642 1.039 0.365
89 HG2 ARG 14 2HG ARG 14 8.019 3.224 -0.737
90 HG3 ARG 14 1HG ARG 14 8.594 4.044 0.716
91 HD2 ARG 14 2HD ARG 14 10.666 3.985 -0.204
92 HD3 ARG 14 1HD ARG 14 10.635 2.229 0.054
93 HE ARG 14 HE ARG 14 9.145 2.584 -2.258
94 HH11 ARG 14 1HH2 ARG 14 12.297 3.482 -1.163
95 HH12 ARG 14 2HH2 ARG 14 12.999 3.438 -2.745
96 HH21 ARG 14 1HH1 ARG 14 10.051 2.527 -4.324
97 HH22 ARG 14 2HH1 ARG 14 11.730 2.898 -4.532
98 H CYS 15 H CYS 15 4.846 3.365 0.831
99 HA CYS 15 HA CYS 15 5.742 5.623 2.496
100 HB2 CYS 15 2HB CYS 15 3.804 6.705 1.505
101 HB3 CYS 15 1HB CYS 15 4.631 5.796 0.242
102 H CYS 16 H CYS 16 3.556 2.897 2.730
103 HA CYS 16 HA CYS 16 1.947 3.953 4.915
104 HB2 CYS 16 2HB CYS 16 1.858 1.857 3.102
105 HB3 CYS 16 1HB CYS 16 2.180 1.038 4.634
106 HN1 NH2 17 1H CYS 16 2.173 1.485 6.591
107 HN2 NH2 17 2H CYS 16 3.616 1.640 7.471
Start of MODEL 10
1 H1 CYS 1 H CYS 1 1.448 8.982 -4.716
2 HA CYS 1 HA CYS 1 2.408 6.775 -4.756
3 HB2 CYS 1 2HB CYS 1 2.891 5.759 -2.493
4 HB3 CYS 1 1HB CYS 1 3.674 7.320 -2.759
5 H CYS 2 H CYS 2 1.551 4.586 -3.260
6 HA CYS 2 HA CYS 2 -1.166 4.238 -4.213
7 HB2 CYS 2 2HB CYS 2 -0.861 2.010 -3.157
8 HB3 CYS 2 1HB CYS 2 0.539 2.461 -4.135
9 H ASN 3 H ASN 3 -2.496 2.878 -2.231
10 HA ASN 3 HA ASN 3 -2.816 4.930 -0.065
11 HB2 ASN 3 2HB ASN 3 -5.219 4.296 -0.186
12 HB3 ASN 3 1HB ASN 3 -4.621 4.903 -1.733
13 HD21 ASN 3 1HD2 ASN 3 -6.773 2.767 -0.891
14 HD22 ASN 3 2HD2 ASN 3 -6.409 1.450 -1.899
15 H CYS 4 H CYS 4 -3.168 4.142 2.041
16 HA CYS 4 HA CYS 4 -2.058 1.565 2.720
17 HB2 CYS 4 2HB CYS 4 -3.516 3.806 4.106
18 HB3 CYS 4 1HB CYS 4 -3.155 2.317 4.986
19 H SER 5 H SER 5 -5.244 2.586 1.814
20 HA SER 5 HA SER 5 -6.780 0.596 3.232
21 HB2 SER 5 2HB SER 5 -7.129 2.747 1.360
22 HB3 SER 5 1HB SER 5 -8.022 1.343 0.783
23 HG SER 5 HG SER 5 -9.309 1.465 2.466
24 H SER 6 H SER 6 -4.588 0.304 0.638
25 HA SER 6 HA SER 6 -5.897 -2.240 -0.271
26 HB2 SER 6 2HB SER 6 -4.636 0.038 -1.591
27 HB3 SER 6 1HB SER 6 -3.939 -1.495 -2.115
28 HG SER 6 HG SER 6 -6.164 -2.197 -2.413
29 H LYS 7 H LYS 7 -4.858 -4.023 0.527
30 HA LYS 7 HA LYS 7 -2.455 -4.102 1.974
31 HB2 LYS 7 2HB LYS 7 -4.177 -5.981 0.449
32 HB3 LYS 7 1HB LYS 7 -2.547 -6.557 0.798
33 HG2 LYS 7 2HG LYS 7 -4.112 -5.269 3.003
34 HG3 LYS 7 1HG LYS 7 -4.502 -6.928 2.546
35 HD2 LYS 7 2HD LYS 7 -1.634 -6.588 2.710
36 HD3 LYS 7 1HD LYS 7 -2.396 -6.084 4.219
37 HE2 LYS 7 2HE LYS 7 -2.868 -8.232 4.777
38 HE3 LYS 7 1HE LYS 7 -3.583 -8.547 3.183
39 HZ1 LYS 7 3HZ LYS 7 -1.242 -8.536 2.311
40 HZ2 LYS 7 1HZ LYS 7 -1.639 -9.861 3.294
41 HZ3 LYS 7 2HZ LYS 7 -0.713 -8.584 3.925
42 H TRP 8 H TRP 8 -2.940 -4.390 -1.543
43 HA TRP 8 HA TRP 8 -0.325 -5.113 -2.336
44 HB2 TRP 8 2HB TRP 8 -2.165 -5.040 -3.892
45 HB3 TRP 8 1HB TRP 8 -2.453 -3.329 -3.556
46 HD1 TRP 8 HD TRP 8 -0.168 -5.673 -5.486
47 HE1 TRP 8 1HE TRP 8 1.289 -4.285 -7.098
48 HE3 TRP 8 3HE TRP 8 -1.346 -0.964 -3.904
49 HZ2 TRP 8 2HZ TRP 8 1.881 -1.538 -7.641
50 HZ3 TRP 8 3HZ TRP 8 -0.322 1.018 -4.983
51 HH2 TRP 8 HH TRP 8 1.286 0.737 -6.849
52 H CYS 9 H CYS 9 -1.698 -1.814 -2.021
53 HA CYS 9 HA CYS 9 0.534 -0.236 -2.538
54 HB2 CYS 9 2HB CYS 9 -1.585 0.742 -1.998
55 HB3 CYS 9 1HB CYS 9 -1.657 -0.090 -0.450
56 H ARG 10 H ARG 10 -0.382 -1.560 0.635
57 HA ARG 10 HA ARG 10 1.961 -0.807 2.061
58 HB2 ARG 10 2HB ARG 10 -0.120 -2.985 2.318
59 HB3 ARG 10 1HB ARG 10 1.107 -2.714 3.549
60 HG2 ARG 10 2HG ARG 10 0.085 -0.168 2.985
61 HG3 ARG 10 1HG ARG 10 -1.323 -1.225 3.042
62 HD2 ARG 10 2HD ARG 10 0.759 -0.800 5.200
63 HD3 ARG 10 1HD ARG 10 -0.994 -0.547 5.308
64 HE ARG 10 HE ARG 10 -0.883 -3.179 4.624
65 HH11 ARG 10 1HH2 ARG 10 0.809 -1.286 6.971
66 HH12 ARG 10 2HH2 ARG 10 1.050 -2.615 8.052
67 HH21 ARG 10 1HH1 ARG 10 -0.575 -4.912 6.034
68 HH22 ARG 10 2HH1 ARG 10 0.266 -4.660 7.528
69 H ASP 11 H ASP 11 1.373 -3.432 -0.172
70 HA ASP 11 HA ASP 11 3.820 -4.876 0.712
71 HB2 ASP 11 2HB ASP 11 1.430 -5.413 -1.025
72 HB3 ASP 11 1HB ASP 11 2.874 -6.411 -1.212
73 H HIS 12 H HIS 12 2.457 -3.539 -2.329
74 HA HIS 12 HA HIS 12 5.007 -3.850 -3.735
75 HB2 HIS 12 2HB HIS 12 2.240 -2.838 -4.286
76 HB3 HIS 12 1HB HIS 12 3.537 -2.403 -5.405
77 HD1 HIS 12 1HD HIS 12 3.917 -4.065 -7.214
78 HD2 HIS 12 2HD HIS 12 2.279 -5.858 -3.826
79 HE1 HIS 12 1HE HIS 12 3.561 -6.503 -7.796
80 H SER 13 H SER 13 4.062 -1.660 -1.431
81 HA SER 13 HA SER 13 6.008 0.346 -2.437
82 HB2 SER 13 2HB SER 13 3.741 1.766 -1.443
83 HB3 SER 13 1HB SER 13 4.379 1.760 -3.087
84 HG SER 13 HG SER 13 3.126 -0.114 -3.470
85 H ARG 14 H ARG 14 6.125 2.177 -0.635
86 HA ARG 14 HA ARG 14 5.920 0.874 2.058
87 HB2 ARG 14 2HB ARG 14 8.108 2.181 2.467
88 HB3 ARG 14 1HB ARG 14 8.204 0.758 1.428
89 HG2 ARG 14 2HG ARG 14 7.987 2.221 -0.566
90 HG3 ARG 14 1HG ARG 14 7.970 3.633 0.493
91 HD2 ARG 14 2HD ARG 14 10.225 3.530 0.858
92 HD3 ARG 14 1HD ARG 14 10.219 1.757 0.946
93 HE ARG 14 HE ARG 14 9.612 2.694 -1.731
94 HH11 ARG 14 1HH2 ARG 14 12.126 2.118 0.569
95 HH12 ARG 14 2HH2 ARG 14 13.339 1.839 -0.635
96 HH21 ARG 14 1HH1 ARG 14 11.185 2.329 -3.307
97 HH22 ARG 14 2HH1 ARG 14 12.807 1.957 -2.828
98 H CYS 15 H CYS 15 4.664 3.262 0.245
99 HA CYS 15 HA CYS 15 4.979 5.673 1.724
100 HB2 CYS 15 2HB CYS 15 3.789 5.001 -0.552
101 HB3 CYS 15 1HB CYS 15 2.365 4.876 0.482
102 H CYS 16 H CYS 16 3.137 2.775 2.390
103 HA CYS 16 HA CYS 16 1.397 4.012 4.395
104 HB2 CYS 16 2HB CYS 16 1.098 1.904 2.855
105 HB3 CYS 16 1HB CYS 16 1.988 1.070 4.133
106 HN1 NH2 17 1H CYS 16 4.247 1.790 4.532
107 HN2 NH2 17 2H CYS 16 4.630 2.133 6.150
Start of MODEL 11
1 H1 CYS 1 H CYS 1 2.001 8.964 -2.689
2 HA CYS 1 HA CYS 1 2.497 6.539 -3.922
3 HB2 CYS 1 2HB CYS 1 1.919 7.454 -1.140
4 HB3 CYS 1 1HB CYS 1 1.971 5.710 -1.417
5 H CYS 2 H CYS 2 1.340 4.390 -3.534
6 HA CYS 2 HA CYS 2 -1.306 4.431 -4.608
7 HB2 CYS 2 2HB CYS 2 -1.207 1.990 -3.919
8 HB3 CYS 2 1HB CYS 2 0.177 2.539 -4.870
9 H ASN 3 H ASN 3 -3.114 3.155 -3.335
10 HA ASN 3 HA ASN 3 -3.734 4.722 -0.936
11 HB2 ASN 3 2HB ASN 3 -5.062 3.126 -2.955
12 HB3 ASN 3 1HB ASN 3 -5.611 2.646 -1.345
13 HD21 ASN 3 1HD2 ASN 3 -7.044 4.058 -0.266
14 HD22 ASN 3 2HD2 ASN 3 -7.478 5.595 -0.842
15 H CYS 4 H CYS 4 -2.660 4.079 0.918
16 HA CYS 4 HA CYS 4 -1.637 1.497 1.492
17 HB2 CYS 4 2HB CYS 4 -2.521 3.876 3.128
18 HB3 CYS 4 1HB CYS 4 -1.844 2.438 3.902
19 H SER 5 H SER 5 -4.895 2.610 1.468
20 HA SER 5 HA SER 5 -6.041 0.928 3.493
21 HB2 SER 5 2HB SER 5 -7.224 2.817 2.557
22 HB3 SER 5 1HB SER 5 -7.079 2.165 0.927
23 HG SER 5 HG SER 5 -8.502 1.009 3.101
24 H SER 6 H SER 6 -4.558 0.122 0.542
25 HA SER 6 HA SER 6 -6.073 -2.463 0.385
26 HB2 SER 6 2HB SER 6 -5.570 -0.496 -1.514
27 HB3 SER 6 1HB SER 6 -4.353 -1.723 -1.870
28 HG SER 6 HG SER 6 -7.022 -1.760 -2.296
29 H LYS 7 H LYS 7 -4.930 -4.237 1.012
30 HA LYS 7 HA LYS 7 -2.393 -4.351 2.106
31 HB2 LYS 7 2HB LYS 7 -3.963 -6.316 0.420
32 HB3 LYS 7 1HB LYS 7 -2.477 -6.775 1.252
33 HG2 LYS 7 2HG LYS 7 -3.734 -7.157 3.086
34 HG3 LYS 7 1HG LYS 7 -3.984 -5.414 3.185
35 HD2 LYS 7 2HD LYS 7 -5.821 -6.004 1.302
36 HD3 LYS 7 1HD LYS 7 -5.809 -7.536 2.177
37 HE2 LYS 7 2HE LYS 7 -6.814 -6.625 4.017
38 HE3 LYS 7 1HE LYS 7 -5.863 -5.131 3.907
39 HZ1 LYS 7 3HZ LYS 7 -8.424 -5.243 3.226
40 HZ2 LYS 7 1HZ LYS 7 -7.729 -5.653 1.734
41 HZ3 LYS 7 2HZ LYS 7 -7.321 -4.184 2.484
42 H TRP 8 H TRP 8 -3.223 -4.430 -1.344
43 HA TRP 8 HA TRP 8 -0.706 -5.149 -2.435
44 HB2 TRP 8 2HB TRP 8 -2.751 -5.007 -3.744
45 HB3 TRP 8 1HB TRP 8 -2.904 -3.283 -3.387
46 HD1 TRP 8 HD TRP 8 -0.671 -5.743 -5.320
47 HE1 TRP 8 1HE TRP 8 0.548 -4.447 -7.184
48 HE3 TRP 8 3HE TRP 8 -2.135 -0.983 -4.187
49 HZ2 TRP 8 2HZ TRP 8 0.864 -1.748 -8.076
50 HZ3 TRP 8 3HZ TRP 8 -1.360 0.929 -5.558
51 HH2 TRP 8 HH TRP 8 0.136 0.554 -7.499
52 H CYS 9 H CYS 9 -2.025 -1.872 -1.812
53 HA CYS 9 HA CYS 9 0.235 -0.356 -2.561
54 HB2 CYS 9 2HB CYS 9 -2.029 0.488 -1.961
55 HB3 CYS 9 1HB CYS 9 -1.719 0.077 -0.276
56 H ARG 10 H ARG 10 -0.609 -1.568 0.698
57 HA ARG 10 HA ARG 10 1.739 -0.727 2.045
58 HB2 ARG 10 2HB ARG 10 -0.186 -3.039 2.399
59 HB3 ARG 10 1HB ARG 10 1.028 -2.608 3.598
60 HG2 ARG 10 2HG ARG 10 -0.003 -0.587 4.122
61 HG3 ARG 10 1HG ARG 10 -0.806 -0.478 2.555
62 HD2 ARG 10 2HD ARG 10 -2.350 -1.058 4.496
63 HD3 ARG 10 1HD ARG 10 -2.370 -2.240 3.171
64 HE ARG 10 HE ARG 10 -1.302 -3.788 4.607
65 HH11 ARG 10 1HH2 ARG 10 -1.038 -0.546 5.772
66 HH12 ARG 10 2HH2 ARG 10 -0.315 -1.010 7.275
67 HH21 ARG 10 1HH1 ARG 10 -0.356 -4.401 6.564
68 HH22 ARG 10 2HH1 ARG 10 0.072 -3.187 7.722
69 H ASP 11 H ASP 11 1.152 -3.502 -0.052
70 HA ASP 11 HA ASP 11 3.775 -4.707 0.680
71 HB2 ASP 11 2HB ASP 11 1.210 -5.616 -0.130
72 HB3 ASP 11 1HB ASP 11 2.329 -6.043 -1.425
73 H HIS 12 H HIS 12 2.322 -2.746 -1.793
74 HA HIS 12 HA HIS 12 4.615 -3.295 -3.637
75 HB2 HIS 12 2HB HIS 12 1.765 -2.396 -3.909
76 HB3 HIS 12 1HB HIS 12 2.924 -1.924 -5.157
77 HD1 HIS 12 1HD HIS 12 2.827 -3.540 -7.042
78 HD2 HIS 12 2HD HIS 12 2.325 -5.456 -3.373
79 HE1 HIS 12 1HE HIS 12 2.619 -6.013 -7.547
80 H SER 13 H SER 13 4.631 -1.488 -1.198
81 HA SER 13 HA SER 13 6.011 0.761 -2.421
82 HB2 SER 13 2HB SER 13 4.405 2.473 -1.889
83 HB3 SER 13 1HB SER 13 3.524 1.214 -2.748
84 HG SER 13 HG SER 13 3.446 1.970 -0.068
85 H ARG 14 H ARG 14 6.508 2.441 -0.616
86 HA ARG 14 HA ARG 14 6.802 1.021 2.011
87 HB2 ARG 14 2HB ARG 14 8.661 2.851 0.462
88 HB3 ARG 14 1HB ARG 14 8.947 2.381 2.138
89 HG2 ARG 14 2HG ARG 14 9.755 0.376 1.509
90 HG3 ARG 14 1HG ARG 14 8.327 0.056 0.523
91 HD2 ARG 14 2HD ARG 14 10.147 2.068 -0.642
92 HD3 ARG 14 1HD ARG 14 10.843 0.440 -0.512
93 HE ARG 14 HE ARG 14 8.256 0.016 -1.452
94 HH11 ARG 14 1HH2 ARG 14 11.023 1.849 -2.410
95 HH12 ARG 14 2HH2 ARG 14 10.659 1.756 -4.100
96 HH21 ARG 14 1HH1 ARG 14 7.773 -0.111 -3.653
97 HH22 ARG 14 2HH1 ARG 14 8.822 0.647 -4.804
98 H CYS 15 H CYS 15 4.990 3.273 0.627
99 HA CYS 15 HA CYS 15 5.437 5.616 2.302
100 HB2 CYS 15 2HB CYS 15 3.650 4.663 0.172
101 HB3 CYS 15 1HB CYS 15 2.851 5.730 1.327
102 H CYS 16 H CYS 16 3.179 2.853 2.384
103 HA CYS 16 HA CYS 16 1.541 3.704 4.535
104 HB2 CYS 16 2HB CYS 16 2.491 0.918 3.791
105 HB3 CYS 16 1HB CYS 16 1.006 1.321 4.655
106 HN1 NH2 17 1H CYS 16 1.651 2.432 6.788
107 HN2 NH2 17 2H CYS 16 3.176 2.391 7.534
Start of MODEL 12
1 H1 CYS 1 H CYS 1 1.978 7.745 -5.787
2 HA CYS 1 HA CYS 1 3.088 5.856 -3.817
3 HB2 CYS 1 2HB CYS 1 3.483 7.951 -2.689
4 HB3 CYS 1 1HB CYS 1 1.869 8.538 -3.098
5 H CYS 2 H CYS 2 1.291 4.780 -2.602
6 HA CYS 2 HA CYS 2 -1.318 4.974 -4.076
7 HB2 CYS 2 2HB CYS 2 -1.431 2.483 -3.503
8 HB3 CYS 2 1HB CYS 2 -0.193 2.941 -4.676
9 H ASN 3 H ASN 3 -2.980 3.569 -2.539
10 HA ASN 3 HA ASN 3 -2.982 5.049 0.047
11 HB2 ASN 3 2HB ASN 3 -5.369 4.462 0.022
12 HB3 ASN 3 1HB ASN 3 -4.906 5.155 -1.536
13 HD21 ASN 3 1HD2 ASN 3 -5.727 2.109 0.105
14 HD22 ASN 3 2HD2 ASN 3 -5.994 1.219 -1.315
15 H CYS 4 H CYS 4 -3.086 3.964 2.026
16 HA CYS 4 HA CYS 4 -1.918 1.325 2.182
17 HB2 CYS 4 2HB CYS 4 -3.179 3.305 4.078
18 HB3 CYS 4 1HB CYS 4 -2.592 1.740 4.655
19 H SER 5 H SER 5 -5.212 2.527 2.107
20 HA SER 5 HA SER 5 -6.693 0.540 3.381
21 HB2 SER 5 2HB SER 5 -7.426 1.561 0.643
22 HB3 SER 5 1HB SER 5 -8.468 1.314 2.041
23 HG SER 5 HG SER 5 -8.101 3.334 2.453
24 H SER 6 H SER 6 -4.873 0.284 0.382
25 HA SER 6 HA SER 6 -6.026 -2.408 -0.166
26 HB2 SER 6 2HB SER 6 -4.826 -0.201 -1.658
27 HB3 SER 6 1HB SER 6 -4.127 -1.759 -2.104
28 HG SER 6 HG SER 6 -6.172 -2.510 -2.576
29 H LYS 7 H LYS 7 -4.929 -4.162 0.623
30 HA LYS 7 HA LYS 7 -2.497 -4.115 2.042
31 HB2 LYS 7 2HB LYS 7 -4.082 -5.976 2.055
32 HB3 LYS 7 1HB LYS 7 -3.784 -6.281 0.344
33 HG2 LYS 7 2HG LYS 7 -1.240 -6.291 1.520
34 HG3 LYS 7 1HG LYS 7 -2.263 -7.173 2.654
35 HD2 LYS 7 2HD LYS 7 -3.156 -8.414 0.559
36 HD3 LYS 7 1HD LYS 7 -1.723 -7.778 -0.250
37 HE2 LYS 7 2HE LYS 7 -0.371 -8.759 1.712
38 HE3 LYS 7 1HE LYS 7 -1.845 -9.665 2.112
39 HZ1 LYS 7 3HZ LYS 7 -0.571 -9.611 -0.572
40 HZ2 LYS 7 1HZ LYS 7 -1.922 -10.530 -0.116
41 HZ3 LYS 7 2HZ LYS 7 -0.397 -10.875 0.549
42 H TRP 8 H TRP 8 -3.078 -4.425 -1.445
43 HA TRP 8 HA TRP 8 -0.498 -5.199 -2.317
44 HB2 TRP 8 2HB TRP 8 -2.324 -5.103 -3.857
45 HB3 TRP 8 1HB TRP 8 -2.673 -3.420 -3.450
46 HD1 TRP 8 HD TRP 8 -0.180 -5.591 -5.373
47 HE1 TRP 8 1HE TRP 8 1.127 -4.093 -7.015
48 HE3 TRP 8 3HE TRP 8 -1.881 -0.999 -3.925
49 HZ2 TRP 8 2HZ TRP 8 1.413 -1.315 -7.633
50 HZ3 TRP 8 3HZ TRP 8 -1.075 1.055 -5.055
51 HH2 TRP 8 HH TRP 8 0.568 0.902 -6.906
52 H CYS 9 H CYS 9 -1.800 -1.867 -2.008
53 HA CYS 9 HA CYS 9 0.458 -0.347 -2.572
54 HB2 CYS 9 2HB CYS 9 -1.793 0.491 -1.960
55 HB3 CYS 9 1HB CYS 9 -1.526 -0.013 -0.295
56 H ARG 10 H ARG 10 -0.403 -1.763 0.585
57 HA ARG 10 HA ARG 10 1.931 -0.953 2.009
58 HB2 ARG 10 2HB ARG 10 -0.034 -3.246 2.262
59 HB3 ARG 10 1HB ARG 10 1.161 -2.864 3.496
60 HG2 ARG 10 2HG ARG 10 0.157 -0.820 4.033
61 HG3 ARG 10 1HG ARG 10 -0.670 -0.711 2.478
62 HD2 ARG 10 2HD ARG 10 -2.264 -1.293 4.294
63 HD3 ARG 10 1HD ARG 10 -2.119 -2.631 3.138
64 HE ARG 10 HE ARG 10 -1.005 -3.891 4.804
65 HH11 ARG 10 1HH2 ARG 10 -1.151 -0.531 5.594
66 HH12 ARG 10 2HH2 ARG 10 -0.503 -0.745 7.184
67 HH21 ARG 10 1HH1 ARG 10 -0.158 -4.180 6.877
68 HH22 ARG 10 2HH1 ARG 10 0.060 -2.806 7.908
69 H ASP 11 H ASP 11 1.281 -3.715 -0.099
70 HA ASP 11 HA ASP 11 3.928 -4.915 0.559
71 HB2 ASP 11 2HB ASP 11 1.359 -5.888 0.063
72 HB3 ASP 11 1HB ASP 11 2.247 -6.259 -1.415
73 H HIS 12 H HIS 12 2.725 -2.676 -1.623
74 HA HIS 12 HA HIS 12 4.788 -3.455 -3.659
75 HB2 HIS 12 2HB HIS 12 1.907 -2.690 -3.862
76 HB3 HIS 12 1HB HIS 12 2.988 -2.135 -5.146
77 HD1 HIS 12 1HD HIS 12 3.676 -3.830 -6.877
78 HD2 HIS 12 2HD HIS 12 1.950 -5.624 -3.533
79 HE1 HIS 12 1HE HIS 12 3.417 -6.287 -7.436
80 H SER 13 H SER 13 4.205 -1.289 -1.300
81 HA SER 13 HA SER 13 5.723 0.844 -2.712
82 HB2 SER 13 2HB SER 13 3.016 1.127 -1.378
83 HB3 SER 13 1HB SER 13 4.041 2.505 -1.782
84 HG SER 13 HG SER 13 2.979 0.549 -3.549
85 H ARG 14 H ARG 14 5.592 2.766 -0.700
86 HA ARG 14 HA ARG 14 6.461 1.375 1.799
87 HB2 ARG 14 2HB ARG 14 8.421 3.025 1.762
88 HB3 ARG 14 1HB ARG 14 8.481 1.735 0.560
89 HG2 ARG 14 2HG ARG 14 7.008 4.081 -0.387
90 HG3 ARG 14 1HG ARG 14 8.684 4.451 0.021
91 HD2 ARG 14 2HD ARG 14 9.209 2.250 -1.333
92 HD3 ARG 14 1HD ARG 14 7.623 2.562 -2.065
93 HE ARG 14 HE ARG 14 8.868 5.038 -2.103
94 HH11 ARG 14 1HH2 ARG 14 9.628 1.850 -3.195
95 HH12 ARG 14 2HH2 ARG 14 10.593 2.397 -4.525
96 HH21 ARG 14 1HH1 ARG 14 10.126 5.761 -3.833
97 HH22 ARG 14 2HH1 ARG 14 10.873 4.607 -4.887
98 H CYS 15 H CYS 15 4.329 3.454 0.556
99 HA CYS 15 HA CYS 15 4.607 5.852 2.126
100 HB2 CYS 15 2HB CYS 15 2.429 4.425 0.614
101 HB3 CYS 15 1HB CYS 15 2.034 5.850 1.575
102 H CYS 16 H CYS 16 2.720 2.849 2.627
103 HA CYS 16 HA CYS 16 1.418 3.555 5.031
104 HB2 CYS 16 2HB CYS 16 2.512 0.933 3.967
105 HB3 CYS 16 1HB CYS 16 1.373 1.055 5.307
106 HN1 NH2 17 1H CYS 16 3.953 1.065 5.243
107 HN2 NH2 17 2H CYS 16 4.782 1.761 6.552
Start of MODEL 13
1 H1 CYS 1 H CYS 1 1.150 8.903 -4.657
2 HA CYS 1 HA CYS 1 2.130 6.664 -5.001
3 HB2 CYS 1 2HB CYS 1 2.777 5.442 -2.917
4 HB3 CYS 1 1HB CYS 1 3.602 6.998 -3.072
5 H CYS 2 H CYS 2 1.194 4.417 -3.792
6 HA CYS 2 HA CYS 2 -1.640 4.464 -4.365
7 HB2 CYS 2 2HB CYS 2 -1.438 2.078 -3.592
8 HB3 CYS 2 1HB CYS 2 -0.224 2.525 -4.796
9 H ASN 3 H ASN 3 -3.238 3.570 -2.711
10 HA ASN 3 HA ASN 3 -2.987 5.115 -0.199
11 HB2 ASN 3 2HB ASN 3 -5.401 4.389 -0.002
12 HB3 ASN 3 1HB ASN 3 -5.037 5.270 -1.490
13 HD21 ASN 3 1HD2 ASN 3 -5.643 2.005 -0.180
14 HD22 ASN 3 2HD2 ASN 3 -6.002 1.293 -1.679
15 H CYS 4 H CYS 4 -2.966 4.150 1.861
16 HA CYS 4 HA CYS 4 -1.855 1.488 2.083
17 HB2 CYS 4 2HB CYS 4 -2.846 3.661 3.906
18 HB3 CYS 4 1HB CYS 4 -2.468 2.075 4.585
19 H SER 5 H SER 5 -5.033 2.567 1.617
20 HA SER 5 HA SER 5 -6.484 0.698 3.275
21 HB2 SER 5 2HB SER 5 -6.949 2.788 1.357
22 HB3 SER 5 1HB SER 5 -7.941 1.397 0.931
23 HG SER 5 HG SER 5 -8.714 1.391 3.075
24 H SER 6 H SER 6 -4.558 0.236 0.515
25 HA SER 6 HA SER 6 -6.056 -2.246 -0.247
26 HB2 SER 6 2HB SER 6 -4.689 -0.096 -1.663
27 HB3 SER 6 1HB SER 6 -4.090 -1.680 -2.159
28 HG SER 6 HG SER 6 -6.794 -0.803 -2.081
29 H LYS 7 H LYS 7 -5.119 -4.130 0.422
30 HA LYS 7 HA LYS 7 -2.742 -4.397 1.888
31 HB2 LYS 7 2HB LYS 7 -4.174 -6.232 1.927
32 HB3 LYS 7 1HB LYS 7 -4.488 -6.152 0.196
33 HG2 LYS 7 2HG LYS 7 -1.686 -6.750 0.934
34 HG3 LYS 7 1HG LYS 7 -2.855 -8.002 1.352
35 HD2 LYS 7 2HD LYS 7 -3.527 -7.082 -1.250
36 HD3 LYS 7 1HD LYS 7 -1.785 -7.354 -1.234
37 HE2 LYS 7 2HE LYS 7 -2.850 -9.548 0.162
38 HE3 LYS 7 1HE LYS 7 -3.925 -9.318 -1.231
39 HZ1 LYS 7 3HZ LYS 7 -1.803 -8.984 -2.553
40 HZ2 LYS 7 1HZ LYS 7 -2.144 -10.571 -2.060
41 HZ3 LYS 7 2HZ LYS 7 -0.983 -9.654 -1.224
42 H TRP 8 H TRP 8 -3.209 -4.526 -1.645
43 HA TRP 8 HA TRP 8 -0.605 -5.369 -2.404
44 HB2 TRP 8 2HB TRP 8 -2.375 -5.229 -4.017
45 HB3 TRP 8 1HB TRP 8 -2.664 -3.524 -3.645
46 HD1 TRP 8 HD TRP 8 -0.138 -5.833 -5.369
47 HE1 TRP 8 1HE TRP 8 1.309 -4.422 -6.970
48 HE3 TRP 8 3HE TRP 8 -1.797 -1.153 -4.171
49 HZ2 TRP 8 2HZ TRP 8 1.709 -1.674 -7.654
50 HZ3 TRP 8 3HZ TRP 8 -0.867 0.841 -5.310
51 HH2 TRP 8 HH TRP 8 0.882 0.586 -7.050
52 H CYS 9 H CYS 9 -1.853 -2.011 -2.179
53 HA CYS 9 HA CYS 9 0.481 -0.563 -2.624
54 HB2 CYS 9 2HB CYS 9 -1.757 0.381 -2.202
55 HB3 CYS 9 1HB CYS 9 -1.673 -0.143 -0.522
56 H ARG 10 H ARG 10 -0.643 -1.742 0.564
57 HA ARG 10 HA ARG 10 1.627 -1.007 2.080
58 HB2 ARG 10 2HB ARG 10 -0.407 -3.241 2.236
59 HB3 ARG 10 1HB ARG 10 0.772 -2.959 3.512
60 HG2 ARG 10 2HG ARG 10 -0.174 -0.942 4.143
61 HG3 ARG 10 1HG ARG 10 -0.827 -0.630 2.534
62 HD2 ARG 10 2HD ARG 10 -2.591 -1.224 4.251
63 HD3 ARG 10 1HD ARG 10 -2.559 -2.330 2.862
64 HE ARG 10 HE ARG 10 -0.751 -3.445 4.647
65 HH11 ARG 10 1HH2 ARG 10 -4.054 -2.437 4.736
66 HH12 ARG 10 2HH2 ARG 10 -4.513 -3.611 5.923
67 HH21 ARG 10 1HH1 ARG 10 -1.341 -4.979 6.196
68 HH22 ARG 10 2HH1 ARG 10 -2.982 -5.046 6.748
69 H ASP 11 H ASP 11 1.061 -3.800 -0.016
70 HA ASP 11 HA ASP 11 3.686 -4.971 0.769
71 HB2 ASP 11 2HB ASP 11 1.128 -5.959 0.150
72 HB3 ASP 11 1HB ASP 11 2.137 -6.407 -1.224
73 H HIS 12 H HIS 12 3.002 -2.564 -1.219
74 HA HIS 12 HA HIS 12 4.956 -3.487 -3.277
75 HB2 HIS 12 2HB HIS 12 2.085 -2.747 -3.611
76 HB3 HIS 12 1HB HIS 12 3.208 -2.210 -4.865
77 HD1 HIS 12 1HD HIS 12 4.348 -4.023 -6.314
78 HD2 HIS 12 2HD HIS 12 1.778 -5.584 -3.426
79 HE1 HIS 12 1HE HIS 12 4.039 -6.473 -6.879
80 H SER 13 H SER 13 4.620 -1.334 -0.984
81 HA SER 13 HA SER 13 6.101 0.747 -2.435
82 HB2 SER 13 2HB SER 13 4.041 2.202 -1.180
83 HB3 SER 13 1HB SER 13 4.269 1.969 -2.914
84 HG SER 13 HG SER 13 2.937 0.204 -2.834
85 H ARG 14 H ARG 14 6.238 2.745 -0.708
86 HA ARG 14 HA ARG 14 6.919 1.482 1.929
87 HB2 ARG 14 2HB ARG 14 8.800 3.025 1.973
88 HB3 ARG 14 1HB ARG 14 8.799 2.204 0.412
89 HG2 ARG 14 2HG ARG 14 8.738 4.214 -0.592
90 HG3 ARG 14 1HG ARG 14 7.137 4.467 0.104
91 HD2 ARG 14 2HD ARG 14 7.999 5.642 1.968
92 HD3 ARG 14 1HD ARG 14 9.638 5.014 1.713
93 HE ARG 14 HE ARG 14 9.959 6.649 0.028
94 HH11 ARG 14 1HH2 ARG 14 6.628 6.286 0.881
95 HH12 ARG 14 2HH2 ARG 14 6.109 7.648 -0.054
96 HH21 ARG 14 1HH1 ARG 14 9.289 8.424 -1.195
97 HH22 ARG 14 2HH1 ARG 14 7.612 8.856 -1.230
98 H CYS 15 H CYS 15 5.037 3.859 0.331
99 HA CYS 15 HA CYS 15 4.844 6.034 2.044
100 HB2 CYS 15 2HB CYS 15 3.100 4.537 0.204
101 HB3 CYS 15 1HB CYS 15 2.216 5.475 1.407
102 H CYS 16 H CYS 16 3.544 2.770 2.562
103 HA CYS 16 HA CYS 16 2.183 3.557 5.055
104 HB2 CYS 16 2HB CYS 16 1.995 1.535 3.109
105 HB3 CYS 16 1HB CYS 16 2.516 0.708 4.582
106 HN1 NH2 17 1H CYS 16 5.331 2.306 4.123
107 HN2 NH2 17 2H CYS 16 5.895 1.989 5.693
Start of MODEL 14
1 H1 CYS 1 H CYS 1 1.799 9.165 -4.674
2 HA CYS 1 HA CYS 1 2.136 6.648 -4.697
3 HB2 CYS 1 2HB CYS 1 2.847 8.129 -2.770
4 HB3 CYS 1 1HB CYS 1 1.318 7.723 -1.981
5 H CYS 2 H CYS 2 1.205 4.627 -3.622
6 HA CYS 2 HA CYS 2 -1.549 4.262 -4.379
7 HB2 CYS 2 2HB CYS 2 -1.173 2.034 -3.290
8 HB3 CYS 2 1HB CYS 2 0.115 2.474 -4.414
9 H ASN 3 H ASN 3 -2.912 2.999 -2.465
10 HA ASN 3 HA ASN 3 -3.059 4.969 -0.206
11 HB2 ASN 3 2HB ASN 3 -5.519 4.145 -0.242
12 HB3 ASN 3 1HB ASN 3 -4.989 5.186 -1.568
13 HD21 ASN 3 1HD2 ASN 3 -6.694 2.383 -0.998
14 HD22 ASN 3 2HD2 ASN 3 -6.435 1.593 -2.477
15 H CYS 4 H CYS 4 -2.867 4.128 1.838
16 HA CYS 4 HA CYS 4 -2.023 1.471 2.354
17 HB2 CYS 4 2HB CYS 4 -3.163 3.759 3.938
18 HB3 CYS 4 1HB CYS 4 -2.885 2.209 4.740
19 H SER 5 H SER 5 -5.181 2.663 1.672
20 HA SER 5 HA SER 5 -6.775 0.827 3.198
21 HB2 SER 5 2HB SER 5 -7.234 2.984 1.653
22 HB3 SER 5 1HB SER 5 -7.625 1.727 0.484
23 HG SER 5 HG SER 5 -9.453 2.269 1.695
24 H SER 6 H SER 6 -4.716 0.371 0.484
25 HA SER 6 HA SER 6 -6.023 -2.252 -0.159
26 HB2 SER 6 2HB SER 6 -5.254 -0.094 -1.750
27 HB3 SER 6 1HB SER 6 -3.958 -1.270 -1.979
28 HG SER 6 HG SER 6 -6.591 -1.339 -2.766
29 H LYS 7 H LYS 7 -4.947 -3.989 0.626
30 HA LYS 7 HA LYS 7 -2.524 -3.994 2.044
31 HB2 LYS 7 2HB LYS 7 -3.887 -6.094 0.333
32 HB3 LYS 7 1HB LYS 7 -2.573 -6.456 1.454
33 HG2 LYS 7 2HG LYS 7 -4.047 -5.231 3.216
34 HG3 LYS 7 1HG LYS 7 -5.359 -5.489 2.065
35 HD2 LYS 7 2HD LYS 7 -4.428 -7.966 2.045
36 HD3 LYS 7 1HD LYS 7 -3.782 -7.506 3.621
37 HE2 LYS 7 2HE LYS 7 -5.929 -8.369 4.143
38 HE3 LYS 7 1HE LYS 7 -6.209 -6.618 4.078
39 HZ1 LYS 7 3HZ LYS 7 -7.616 -8.318 2.623
40 HZ2 LYS 7 1HZ LYS 7 -6.322 -8.074 1.554
41 HZ3 LYS 7 2HZ LYS 7 -7.245 -6.749 2.084
42 H TRP 8 H TRP 8 -3.065 -4.460 -1.450
43 HA TRP 8 HA TRP 8 -0.482 -5.203 -2.279
44 HB2 TRP 8 2HB TRP 8 -2.322 -5.146 -3.817
45 HB3 TRP 8 1HB TRP 8 -2.626 -3.436 -3.489
46 HD1 TRP 8 HD TRP 8 -0.169 -5.757 -5.284
47 HE1 TRP 8 1HE TRP 8 1.186 -4.372 -6.985
48 HE3 TRP 8 3HE TRP 8 -1.790 -1.065 -4.090
49 HZ2 TRP 8 2HZ TRP 8 1.535 -1.636 -7.741
50 HZ3 TRP 8 3HZ TRP 8 -0.932 0.910 -5.315
51 HH2 TRP 8 HH TRP 8 0.726 0.632 -7.137
52 H CYS 9 H CYS 9 -1.790 -1.868 -2.048
53 HA CYS 9 HA CYS 9 0.468 -0.358 -2.651
54 HB2 CYS 9 2HB CYS 9 -1.638 0.663 -2.119
55 HB3 CYS 9 1HB CYS 9 -1.673 -0.079 -0.525
56 H ARG 10 H ARG 10 -0.419 -1.592 0.571
57 HA ARG 10 HA ARG 10 1.935 -0.827 1.957
58 HB2 ARG 10 2HB ARG 10 -0.098 -3.049 2.260
59 HB3 ARG 10 1HB ARG 10 1.131 -2.719 3.476
60 HG2 ARG 10 2HG ARG 10 0.094 -0.829 4.195
61 HG3 ARG 10 1HG ARG 10 -0.343 -0.338 2.559
62 HD2 ARG 10 2HD ARG 10 -2.425 -0.838 3.601
63 HD3 ARG 10 1HD ARG 10 -2.057 -2.298 2.662
64 HE ARG 10 HE ARG 10 -0.817 -2.624 5.175
65 HH11 ARG 10 1HH2 ARG 10 -3.976 -2.231 3.832
66 HH12 ARG 10 2HH2 ARG 10 -4.759 -3.142 5.079
67 HH21 ARG 10 1HH1 ARG 10 -1.833 -3.810 6.809
68 HH22 ARG 10 2HH1 ARG 10 -3.548 -4.037 6.759
69 H ASP 11 H ASP 11 1.233 -3.675 -0.037
70 HA ASP 11 HA ASP 11 3.868 -4.871 0.651
71 HB2 ASP 11 2HB ASP 11 1.284 -5.815 0.086
72 HB3 ASP 11 1HB ASP 11 2.246 -6.257 -1.325
73 H HIS 12 H HIS 12 2.936 -2.523 -1.407
74 HA HIS 12 HA HIS 12 4.912 -3.387 -3.489
75 HB2 HIS 12 2HB HIS 12 2.087 -2.375 -3.733
76 HB3 HIS 12 1HB HIS 12 3.240 -2.082 -5.040
77 HD1 HIS 12 1HD HIS 12 3.664 -3.986 -6.622
78 HD2 HIS 12 2HD HIS 12 1.808 -5.262 -3.116
79 HE1 HIS 12 1HE HIS 12 3.117 -6.437 -6.953
80 H SER 13 H SER 13 4.856 -1.452 -1.080
81 HA SER 13 HA SER 13 6.503 0.603 -2.171
82 HB2 SER 13 2HB SER 13 4.538 2.386 -1.725
83 HB3 SER 13 1HB SER 13 4.770 1.623 -3.299
84 HG SER 13 HG SER 13 3.035 0.432 -2.985
85 H ARG 14 H ARG 14 7.426 1.795 -0.473
86 HA ARG 14 HA ARG 14 6.887 0.898 2.245
87 HB2 ARG 14 2HB ARG 14 8.695 2.891 0.881
88 HB3 ARG 14 1HB ARG 14 8.637 2.788 2.640
89 HG2 ARG 14 2HG ARG 14 9.782 0.833 2.676
90 HG3 ARG 14 1HG ARG 14 8.855 0.169 1.330
91 HD2 ARG 14 2HD ARG 14 11.270 0.477 0.746
92 HD3 ARG 14 1HD ARG 14 10.216 1.487 -0.265
93 HE ARG 14 HE ARG 14 10.743 3.094 1.924
94 HH11 ARG 14 1HH2 ARG 14 12.641 1.299 -0.335
95 HH12 ARG 14 2HH2 ARG 14 13.985 2.388 -0.267
96 HH21 ARG 14 1HH1 ARG 14 12.494 4.519 2.021
97 HH22 ARG 14 2HH1 ARG 14 13.903 4.204 1.064
98 H CYS 15 H CYS 15 5.212 3.020 0.335
99 HA CYS 15 HA CYS 15 4.801 5.419 1.636
100 HB2 CYS 15 2HB CYS 15 3.470 3.777 -0.210
101 HB3 CYS 15 1HB CYS 15 2.268 4.115 1.036
102 H CYS 16 H CYS 16 2.818 2.525 2.417
103 HA CYS 16 HA CYS 16 1.695 3.569 4.812
104 HB2 CYS 16 2HB CYS 16 1.572 1.262 3.248
105 HB3 CYS 16 1HB CYS 16 2.162 0.681 4.809
106 HN1 NH2 17 1H CYS 16 2.288 1.778 6.890
107 HN2 NH2 17 2H CYS 16 3.901 1.967 7.385
Start of MODEL 15
1 H1 CYS 1 H CYS 1 2.678 8.876 -3.310
2 HA CYS 1 HA CYS 1 2.794 6.415 -4.398
3 HB2 CYS 1 2HB CYS 1 2.769 5.526 -2.029
4 HB3 CYS 1 1HB CYS 1 3.782 6.956 -2.249
5 H CYS 2 H CYS 2 1.451 4.431 -3.041
6 HA CYS 2 HA CYS 2 -1.247 4.597 -4.233
7 HB2 CYS 2 2HB CYS 2 -1.263 2.173 -3.589
8 HB3 CYS 2 1HB CYS 2 0.136 2.613 -4.571
9 H ASN 3 H ASN 3 -2.964 3.342 -2.717
10 HA ASN 3 HA ASN 3 -3.126 4.965 -0.231
11 HB2 ASN 3 2HB ASN 3 -5.497 4.157 -0.309
12 HB3 ASN 3 1HB ASN 3 -5.003 4.971 -1.797
13 HD21 ASN 3 1HD2 ASN 3 -7.010 2.667 -1.211
14 HD22 ASN 3 2HD2 ASN 3 -6.583 1.475 -2.340
15 H CYS 4 H CYS 4 -3.004 4.044 1.797
16 HA CYS 4 HA CYS 4 -1.936 1.397 2.144
17 HB2 CYS 4 2HB CYS 4 -3.092 3.563 3.895
18 HB3 CYS 4 1HB CYS 4 -2.616 2.011 4.594
19 H SER 5 H SER 5 -5.125 2.483 1.594
20 HA SER 5 HA SER 5 -6.608 0.589 3.185
21 HB2 SER 5 2HB SER 5 -7.248 2.053 0.606
22 HB3 SER 5 1HB SER 5 -8.437 1.268 1.642
23 HG SER 5 HG SER 5 -6.632 3.177 2.668
24 H SER 6 H SER 6 -4.571 0.109 0.525
25 HA SER 6 HA SER 6 -6.043 -2.379 -0.281
26 HB2 SER 6 2HB SER 6 -4.602 -0.227 -1.681
27 HB3 SER 6 1HB SER 6 -4.163 -1.846 -2.226
28 HG SER 6 HG SER 6 -6.566 -2.165 -2.243
29 H LYS 7 H LYS 7 -5.088 -4.175 0.601
30 HA LYS 7 HA LYS 7 -2.696 -4.406 1.988
31 HB2 LYS 7 2HB LYS 7 -4.253 -6.271 0.200
32 HB3 LYS 7 1HB LYS 7 -2.789 -6.830 1.008
33 HG2 LYS 7 2HG LYS 7 -4.536 -5.366 2.827
34 HG3 LYS 7 1HG LYS 7 -5.350 -6.761 2.115
35 HD2 LYS 7 2HD LYS 7 -2.624 -7.422 2.873
36 HD3 LYS 7 1HD LYS 7 -3.535 -6.803 4.251
37 HE2 LYS 7 2HE LYS 7 -4.511 -9.018 2.412
38 HE3 LYS 7 1HE LYS 7 -3.792 -9.273 4.015
39 HZ1 LYS 7 3HZ LYS 7 -5.980 -9.070 4.592
40 HZ2 LYS 7 1HZ LYS 7 -6.350 -8.029 3.305
41 HZ3 LYS 7 2HZ LYS 7 -5.522 -7.435 4.665
42 H TRP 8 H TRP 8 -3.145 -4.643 -1.544
43 HA TRP 8 HA TRP 8 -0.506 -5.373 -2.277
44 HB2 TRP 8 2HB TRP 8 -2.267 -5.359 -3.900
45 HB3 TRP 8 1HB TRP 8 -2.660 -3.669 -3.559
46 HD1 TRP 8 HD TRP 8 -0.169 -5.867 -5.411
47 HE1 TRP 8 1HE TRP 8 1.246 -4.394 -6.984
48 HE3 TRP 8 3HE TRP 8 -1.704 -1.234 -3.903
49 HZ2 TRP 8 2HZ TRP 8 1.672 -1.619 -7.529
50 HZ3 TRP 8 3HZ TRP 8 -0.777 0.804 -4.965
51 HH2 TRP 8 HH TRP 8 0.908 0.618 -6.774
52 H CYS 9 H CYS 9 -1.916 -2.083 -2.078
53 HA CYS 9 HA CYS 9 0.309 -0.500 -2.592
54 HB2 CYS 9 2HB CYS 9 -1.930 0.350 -2.115
55 HB3 CYS 9 1HB CYS 9 -1.837 -0.242 -0.459
56 H ARG 10 H ARG 10 -0.649 -1.751 0.612
57 HA ARG 10 HA ARG 10 1.643 -0.886 2.062
58 HB2 ARG 10 2HB ARG 10 -0.421 -3.063 2.303
59 HB3 ARG 10 1HB ARG 10 0.861 -2.925 3.499
60 HG2 ARG 10 2HG ARG 10 0.209 -0.657 4.044
61 HG3 ARG 10 1HG ARG 10 -0.962 -0.634 2.726
62 HD2 ARG 10 2HD ARG 10 -1.207 -2.792 4.800
63 HD3 ARG 10 1HD ARG 10 -1.775 -1.157 5.194
64 HE ARG 10 HE ARG 10 -2.715 -1.781 2.591
65 HH11 ARG 10 1HH2 ARG 10 -3.075 -2.790 5.874
66 HH12 ARG 10 2HH2 ARG 10 -4.705 -3.334 5.663
67 HH21 ARG 10 1HH1 ARG 10 -4.843 -2.488 2.306
68 HH22 ARG 10 2HH1 ARG 10 -5.704 -3.163 3.649
69 H ASP 11 H ASP 11 1.083 -3.708 0.020
70 HA ASP 11 HA ASP 11 3.699 -4.867 0.820
71 HB2 ASP 11 2HB ASP 11 1.192 -5.783 -0.539
72 HB3 ASP 11 1HB ASP 11 2.683 -6.674 -0.840
73 H HIS 12 H HIS 12 2.645 -2.645 -1.418
74 HA HIS 12 HA HIS 12 4.828 -3.418 -3.320
75 HB2 HIS 12 2HB HIS 12 1.920 -2.897 -3.755
76 HB3 HIS 12 1HB HIS 12 3.041 -2.316 -4.991
77 HD1 HIS 12 1HD HIS 12 4.287 -4.074 -6.399
78 HD2 HIS 12 2HD HIS 12 1.862 -5.753 -3.454
79 HE1 HIS 12 1HE HIS 12 4.179 -6.556 -6.890
80 H SER 13 H SER 13 4.764 -1.406 -1.121
81 HA SER 13 HA SER 13 5.791 0.865 -2.646
82 HB2 SER 13 2HB SER 13 4.083 2.447 -2.003
83 HB3 SER 13 1HB SER 13 3.262 1.061 -2.716
84 HG SER 13 HG SER 13 3.486 1.835 -0.020
85 H ARG 14 H ARG 14 5.983 2.798 -0.884
86 HA ARG 14 HA ARG 14 6.923 1.586 1.692
87 HB2 ARG 14 2HB ARG 14 8.863 3.095 1.516
88 HB3 ARG 14 1HB ARG 14 8.759 2.076 0.080
89 HG2 ARG 14 2HG ARG 14 7.241 4.599 -0.110
90 HG3 ARG 14 1HG ARG 14 8.990 4.805 0.016
91 HD2 ARG 14 2HD ARG 14 7.651 2.934 -1.969
92 HD3 ARG 14 1HD ARG 14 8.219 4.569 -2.363
93 HE ARG 14 HE ARG 14 9.922 2.250 -1.907
94 HH11 ARG 14 1HH2 ARG 14 9.598 5.677 -1.631
95 HH12 ARG 14 2HH2 ARG 14 11.303 5.971 -1.691
96 HH21 ARG 14 1HH1 ARG 14 12.146 2.624 -1.986
97 HH22 ARG 14 2HH1 ARG 14 12.743 4.247 -1.893
98 H CYS 15 H CYS 15 4.678 3.552 0.358
99 HA CYS 15 HA CYS 15 4.880 5.988 1.885
100 HB2 CYS 15 2HB CYS 15 3.406 5.055 -0.196
101 HB3 CYS 15 1HB CYS 15 2.221 4.918 1.103
102 H CYS 16 H CYS 16 3.275 2.868 2.496
103 HA CYS 16 HA CYS 16 1.985 3.775 4.952
104 HB2 CYS 16 2HB CYS 16 1.806 1.650 3.146
105 HB3 CYS 16 1HB CYS 16 2.392 0.900 4.634
106 HN1 NH2 17 1H CYS 16 3.515 4.427 6.558
107 HN2 NH2 17 2H CYS 16 4.749 3.419 7.143
Start of MODEL 16
1 H1 CYS 1 H CYS 1 3.001 8.119 -4.895
2 HA CYS 1 HA CYS 1 2.832 5.869 -4.190
3 HB2 CYS 1 2HB CYS 1 2.610 7.677 -1.974
4 HB3 CYS 1 1HB CYS 1 1.550 6.296 -1.670
5 H CYS 2 H CYS 2 0.801 4.728 -2.493
6 HA CYS 2 HA CYS 2 -1.669 5.169 -4.142
7 HB2 CYS 2 2HB CYS 2 -1.929 2.631 -3.829
8 HB3 CYS 2 1HB CYS 2 -0.634 3.157 -4.911
9 H ASN 3 H ASN 3 -3.466 3.642 -2.864
10 HA ASN 3 HA ASN 3 -3.768 4.972 -0.248
11 HB2 ASN 3 2HB ASN 3 -6.025 4.059 -0.406
12 HB3 ASN 3 1HB ASN 3 -5.576 4.725 -1.979
13 HD21 ASN 3 1HD2 ASN 3 -7.391 2.337 -1.088
14 HD22 ASN 3 2HD2 ASN 3 -6.868 1.065 -2.084
15 H CYS 4 H CYS 4 -3.054 4.041 1.587
16 HA CYS 4 HA CYS 4 -1.901 1.451 1.797
17 HB2 CYS 4 2HB CYS 4 -3.143 3.341 3.815
18 HB3 CYS 4 1HB CYS 4 -2.121 1.967 4.253
19 H SER 5 H SER 5 -5.224 2.469 1.875
20 HA SER 5 HA SER 5 -6.436 0.474 3.469
21 HB2 SER 5 2HB SER 5 -7.432 1.685 0.872
22 HB3 SER 5 1HB SER 5 -8.427 1.038 2.172
23 HG SER 5 HG SER 5 -6.932 3.403 2.040
24 H SER 6 H SER 6 -4.777 0.137 0.461
25 HA SER 6 HA SER 6 -6.074 -2.506 -0.068
26 HB2 SER 6 2HB SER 6 -4.798 -0.342 -1.633
27 HB3 SER 6 1HB SER 6 -4.431 -1.977 -2.184
28 HG SER 6 HG SER 6 -6.503 -2.301 -2.645
29 H LYS 7 H LYS 7 -4.971 -4.233 0.753
30 HA LYS 7 HA LYS 7 -2.529 -4.388 2.006
31 HB2 LYS 7 2HB LYS 7 -4.075 -6.238 1.829
32 HB3 LYS 7 1HB LYS 7 -3.877 -6.300 0.077
33 HG2 LYS 7 2HG LYS 7 -1.730 -7.215 0.220
34 HG3 LYS 7 1HG LYS 7 -1.488 -6.633 1.870
35 HD2 LYS 7 2HD LYS 7 -3.037 -8.245 2.750
36 HD3 LYS 7 1HD LYS 7 -3.556 -8.714 1.133
37 HE2 LYS 7 2HE LYS 7 -0.649 -8.953 1.513
38 HE3 LYS 7 1HE LYS 7 -1.596 -10.020 2.569
39 HZ1 LYS 7 3HZ LYS 7 -1.092 -10.703 0.101
40 HZ2 LYS 7 1HZ LYS 7 -2.430 -9.712 -0.224
41 HZ3 LYS 7 2HZ LYS 7 -2.596 -11.049 0.810
42 H TRP 8 H TRP 8 -3.048 -4.702 -1.515
43 HA TRP 8 HA TRP 8 -0.429 -5.194 -2.384
44 HB2 TRP 8 2HB TRP 8 -2.284 -5.213 -3.901
45 HB3 TRP 8 1HB TRP 8 -2.722 -3.552 -3.491
46 HD1 TRP 8 HD TRP 8 -0.265 -5.596 -5.551
47 HE1 TRP 8 1HE TRP 8 0.988 -4.027 -7.167
48 HE3 TRP 8 3HE TRP 8 -1.890 -1.073 -3.825
49 HZ2 TRP 8 2HZ TRP 8 1.264 -1.223 -7.662
50 HZ3 TRP 8 3HZ TRP 8 -1.116 1.030 -4.887
51 HH2 TRP 8 HH TRP 8 0.457 0.960 -6.801
52 H CYS 9 H CYS 9 -1.974 -1.975 -2.058
53 HA CYS 9 HA CYS 9 0.193 -0.305 -2.590
54 HB2 CYS 9 2HB CYS 9 -2.187 0.299 -2.055
55 HB3 CYS 9 1HB CYS 9 -1.844 -0.022 -0.356
56 H ARG 10 H ARG 10 -0.661 -1.785 0.536
57 HA ARG 10 HA ARG 10 1.525 -0.714 2.040
58 HB2 ARG 10 2HB ARG 10 -0.257 -3.150 2.291
59 HB3 ARG 10 1HB ARG 10 0.840 -2.623 3.562
60 HG2 ARG 10 2HG ARG 10 -0.424 -0.778 4.085
61 HG3 ARG 10 1HG ARG 10 -0.968 -0.554 2.422
62 HD2 ARG 10 2HD ARG 10 -2.738 -1.366 4.131
63 HD3 ARG 10 1HD ARG 10 -2.607 -2.293 2.624
64 HE ARG 10 HE ARG 10 -0.760 -3.323 4.576
65 HH11 ARG 10 1HH2 ARG 10 -4.106 -3.165 3.736
66 HH12 ARG 10 2HH2 ARG 10 -4.497 -4.676 4.484
67 HH21 ARG 10 1HH1 ARG 10 -1.258 -5.292 5.553
68 HH22 ARG 10 2HH1 ARG 10 -2.886 -5.882 5.509
69 H ASP 11 H ASP 11 1.243 -3.530 -0.074
70 HA ASP 11 HA ASP 11 3.903 -4.532 0.828
71 HB2 ASP 11 2HB ASP 11 1.961 -5.707 -1.177
72 HB3 ASP 11 1HB ASP 11 3.237 -6.550 -0.297
73 H HIS 12 H HIS 12 2.399 -2.834 -1.828
74 HA HIS 12 HA HIS 12 4.743 -3.330 -3.600
75 HB2 HIS 12 2HB HIS 12 1.955 -2.213 -3.902
76 HB3 HIS 12 1HB HIS 12 3.163 -1.984 -5.173
77 HD1 HIS 12 1HD HIS 12 3.286 -3.832 -6.836
78 HD2 HIS 12 2HD HIS 12 1.746 -5.154 -3.194
79 HE1 HIS 12 1HE HIS 12 2.674 -6.269 -7.160
80 H SER 13 H SER 13 4.217 -1.313 -1.128
81 HA SER 13 HA SER 13 5.850 0.847 -2.344
82 HB2 SER 13 2HB SER 13 3.424 1.544 -0.717
83 HB3 SER 13 1HB SER 13 4.256 2.501 -1.942
84 HG SER 13 HG SER 13 2.468 0.347 -2.244
85 H ARG 14 H ARG 14 6.664 2.345 -0.575
86 HA ARG 14 HA ARG 14 6.889 0.875 2.031
87 HB2 ARG 14 2HB ARG 14 9.173 1.670 2.114
88 HB3 ARG 14 1HB ARG 14 8.913 0.972 0.516
89 HG2 ARG 14 2HG ARG 14 9.757 2.940 -0.244
90 HG3 ARG 14 1HG ARG 14 8.146 3.570 0.103
91 HD2 ARG 14 2HD ARG 14 8.832 4.441 2.221
92 HD3 ARG 14 1HD ARG 14 10.349 3.519 2.187
93 HE ARG 14 HE ARG 14 10.220 5.141 -0.156
94 HH11 ARG 14 1HH2 ARG 14 10.554 5.346 3.276
95 HH12 ARG 14 2HH2 ARG 14 11.474 6.812 3.226
96 HH21 ARG 14 1HH1 ARG 14 11.424 7.047 -0.230
97 HH22 ARG 14 2HH1 ARG 14 11.972 7.771 1.245
98 H CYS 15 H CYS 15 5.346 3.418 0.722
99 HA CYS 15 HA CYS 15 6.008 5.440 2.782
100 HB2 CYS 15 2HB CYS 15 4.439 6.796 1.426
101 HB3 CYS 15 1HB CYS 15 5.666 6.044 0.409
102 H CYS 16 H CYS 16 3.805 2.849 2.306
103 HA CYS 16 HA CYS 16 1.589 3.956 3.867
104 HB2 CYS 16 2HB CYS 16 2.341 1.449 2.450
105 HB3 CYS 16 1HB CYS 16 1.174 1.278 3.766
106 HN1 NH2 17 1H CYS 16 3.118 0.818 4.606
107 HN2 NH2 17 2H CYS 16 3.402 1.142 6.248
Start of MODEL 17
1 H1 CYS 1 H CYS 1 0.580 8.696 -2.430
2 HA CYS 1 HA CYS 1 2.194 7.202 -4.387
3 HB2 CYS 1 2HB CYS 1 3.089 5.648 -2.741
4 HB3 CYS 1 1HB CYS 1 3.521 7.289 -2.250
5 H CYS 2 H CYS 2 1.475 4.620 -3.288
6 HA CYS 2 HA CYS 2 -1.178 4.318 -4.344
7 HB2 CYS 2 2HB CYS 2 -0.895 2.009 -3.404
8 HB3 CYS 2 1HB CYS 2 0.506 2.546 -4.339
9 H ASN 3 H ASN 3 -2.777 2.955 -2.757
10 HA ASN 3 HA ASN 3 -3.243 4.739 -0.398
11 HB2 ASN 3 2HB ASN 3 -5.566 4.198 -0.724
12 HB3 ASN 3 1HB ASN 3 -4.899 4.541 -2.323
13 HD21 ASN 3 1HD2 ASN 3 -7.026 2.492 -1.011
14 HD22 ASN 3 2HD2 ASN 3 -6.698 1.073 -1.883
15 H CYS 4 H CYS 4 -2.807 3.828 1.557
16 HA CYS 4 HA CYS 4 -1.965 1.184 2.032
17 HB2 CYS 4 2HB CYS 4 -3.304 3.300 3.730
18 HB3 CYS 4 1HB CYS 4 -2.678 1.799 4.421
19 H SER 5 H SER 5 -5.237 2.510 1.880
20 HA SER 5 HA SER 5 -6.810 0.617 3.157
21 HB2 SER 5 2HB SER 5 -7.071 2.624 1.188
22 HB3 SER 5 1HB SER 5 -7.843 1.194 0.509
23 HG SER 5 HG SER 5 -9.408 2.053 1.729
24 H SER 6 H SER 6 -4.961 0.199 0.186
25 HA SER 6 HA SER 6 -6.138 -2.512 -0.222
26 HB2 SER 6 2HB SER 6 -5.514 -0.430 -1.916
27 HB3 SER 6 1HB SER 6 -4.111 -1.485 -2.091
28 HG SER 6 HG SER 6 -5.374 -3.061 -2.850
29 H LYS 7 H LYS 7 -5.000 -4.254 0.506
30 HA LYS 7 HA LYS 7 -2.592 -4.216 1.934
31 HB2 LYS 7 2HB LYS 7 -4.078 -6.138 1.849
32 HB3 LYS 7 1HB LYS 7 -3.813 -6.320 0.115
33 HG2 LYS 7 2HG LYS 7 -1.241 -6.336 1.190
34 HG3 LYS 7 1HG LYS 7 -2.189 -7.277 2.340
35 HD2 LYS 7 2HD LYS 7 -3.127 -8.544 0.335
36 HD3 LYS 7 1HD LYS 7 -1.877 -7.758 -0.630
37 HE2 LYS 7 2HE LYS 7 -0.336 -9.250 0.096
38 HE3 LYS 7 1HE LYS 7 -0.710 -8.853 1.786
39 HZ1 LYS 7 3HZ LYS 7 -2.525 -10.517 0.147
40 HZ2 LYS 7 1HZ LYS 7 -2.465 -10.371 1.835
41 HZ3 LYS 7 2HZ LYS 7 -1.237 -11.208 1.012
42 H TRP 8 H TRP 8 -3.114 -4.295 -1.553
43 HA TRP 8 HA TRP 8 -0.530 -4.994 -2.465
44 HB2 TRP 8 2HB TRP 8 -2.461 -4.772 -3.923
45 HB3 TRP 8 1HB TRP 8 -2.631 -3.064 -3.505
46 HD1 TRP 8 HD TRP 8 -0.398 -5.467 -5.473
47 HE1 TRP 8 1HE TRP 8 1.011 -4.101 -7.146
48 HE3 TRP 8 3HE TRP 8 -1.627 -0.728 -4.011
49 HZ2 TRP 8 2HZ TRP 8 1.550 -1.371 -7.779
50 HZ3 TRP 8 3HZ TRP 8 -0.650 1.234 -5.166
51 HH2 TRP 8 HH TRP 8 0.936 0.920 -7.046
52 H CYS 9 H CYS 9 -1.852 -1.709 -1.891
53 HA CYS 9 HA CYS 9 0.463 -0.189 -2.365
54 HB2 CYS 9 2HB CYS 9 -1.753 0.734 -1.927
55 HB3 CYS 9 1HB CYS 9 -1.735 0.093 -0.289
56 H ARG 10 H ARG 10 -0.621 -1.541 0.753
57 HA ARG 10 HA ARG 10 1.646 -0.776 2.295
58 HB2 ARG 10 2HB ARG 10 -0.382 -3.019 2.474
59 HB3 ARG 10 1HB ARG 10 0.739 -2.627 3.773
60 HG2 ARG 10 2HG ARG 10 -0.371 -0.713 4.338
61 HG3 ARG 10 1HG ARG 10 -0.774 -0.336 2.663
62 HD2 ARG 10 2HD ARG 10 -2.765 -0.972 4.130
63 HD3 ARG 10 1HD ARG 10 -2.582 -1.958 2.666
64 HE ARG 10 HE ARG 10 -1.110 -3.018 4.955
65 HH11 ARG 10 1HH2 ARG 10 -4.121 -2.863 3.269
66 HH12 ARG 10 2HH2 ARG 10 -4.689 -4.380 3.881
67 HH21 ARG 10 1HH1 ARG 10 -1.843 -4.998 5.757
68 HH22 ARG 10 2HH1 ARG 10 -3.401 -5.587 5.283
69 H ASP 11 H ASP 11 1.111 -3.567 0.177
70 HA ASP 11 HA ASP 11 3.651 -4.810 1.116
71 HB2 ASP 11 2HB ASP 11 1.101 -5.699 0.281
72 HB3 ASP 11 1HB ASP 11 2.239 -6.238 -0.954
73 H HIS 12 H HIS 12 2.511 -2.841 -1.486
74 HA HIS 12 HA HIS 12 4.730 -3.778 -3.260
75 HB2 HIS 12 2HB HIS 12 2.090 -2.404 -3.603
76 HB3 HIS 12 1HB HIS 12 3.349 -2.094 -4.803
77 HD1 HIS 12 1HD HIS 12 3.242 -3.686 -6.706
78 HD2 HIS 12 2HD HIS 12 1.968 -5.468 -3.159
79 HE1 HIS 12 1HE HIS 12 2.613 -6.070 -7.288
80 H SER 13 H SER 13 3.318 -0.769 -1.926
81 HA SER 13 HA SER 13 5.718 0.753 -2.774
82 HB2 SER 13 2HB SER 13 3.227 1.617 -1.279
83 HB3 SER 13 1HB SER 13 4.368 2.665 -2.123
84 HG SER 13 HG SER 13 3.722 1.771 -4.055
85 H ARG 14 H ARG 14 6.425 2.427 -0.974
86 HA ARG 14 HA ARG 14 6.746 0.953 1.620
87 HB2 ARG 14 2HB ARG 14 9.038 1.819 1.636
88 HB3 ARG 14 1HB ARG 14 8.746 0.967 0.118
89 HG2 ARG 14 2HG ARG 14 9.081 2.840 -1.090
90 HG3 ARG 14 1HG ARG 14 7.975 3.767 -0.074
91 HD2 ARG 14 2HD ARG 14 10.585 3.092 1.173
92 HD3 ARG 14 1HD ARG 14 10.641 4.265 -0.157
93 HE ARG 14 HE ARG 14 8.487 5.129 1.319
94 HH11 ARG 14 1HH2 ARG 14 11.753 4.280 2.057
95 HH12 ARG 14 2HH2 ARG 14 11.875 5.385 3.385
96 HH21 ARG 14 1HH1 ARG 14 8.638 6.572 3.051
97 HH22 ARG 14 2HH1 ARG 14 10.116 6.680 3.947
98 H CYS 15 H CYS 15 5.124 3.437 0.369
99 HA CYS 15 HA CYS 15 5.928 5.593 2.201
100 HB2 CYS 15 2HB CYS 15 4.162 6.796 1.023
101 HB3 CYS 15 1HB CYS 15 5.118 5.900 -0.155
102 H CYS 16 H CYS 16 3.723 2.914 2.195
103 HA CYS 16 HA CYS 16 1.783 3.999 4.061
104 HB2 CYS 16 2HB CYS 16 1.641 2.029 2.382
105 HB3 CYS 16 1HB CYS 16 2.466 1.087 3.629
106 HN1 NH2 17 1H CYS 16 4.909 2.358 4.420
107 HN2 NH2 17 2H CYS 16 4.915 2.340 6.118
Start of MODEL 18
1 H1 CYS 1 H CYS 1 2.828 8.046 -5.206
2 HA CYS 1 HA CYS 1 3.017 6.430 -3.445
3 HB2 CYS 1 2HB CYS 1 1.734 8.792 -2.098
4 HB3 CYS 1 1HB CYS 1 1.746 7.231 -1.269
5 H CYS 2 H CYS 2 1.275 5.119 -2.071
6 HA CYS 2 HA CYS 2 -1.273 5.043 -3.658
7 HB2 CYS 2 2HB CYS 2 -1.119 2.545 -3.143
8 HB3 CYS 2 1HB CYS 2 0.114 3.168 -4.245
9 H ASN 3 H ASN 3 -3.057 3.884 -2.366
10 HA ASN 3 HA ASN 3 -3.211 5.087 0.318
11 HB2 ASN 3 2HB ASN 3 -5.541 4.152 0.161
12 HB3 ASN 3 1HB ASN 3 -5.108 5.176 -1.212
13 HD21 ASN 3 1HD2 ASN 3 -6.952 2.668 -0.877
14 HD22 ASN 3 2HD2 ASN 3 -6.481 1.670 -2.167
15 H CYS 4 H CYS 4 -3.296 3.925 2.251
16 HA CYS 4 HA CYS 4 -1.915 1.400 2.392
17 HB2 CYS 4 2HB CYS 4 -3.503 3.163 4.257
18 HB3 CYS 4 1HB CYS 4 -2.832 1.626 4.817
19 H SER 5 H SER 5 -5.343 2.326 2.519
20 HA SER 5 HA SER 5 -6.623 0.048 3.414
21 HB2 SER 5 2HB SER 5 -7.140 2.259 1.591
22 HB3 SER 5 1HB SER 5 -8.018 0.813 1.103
23 HG SER 5 HG SER 5 -8.457 0.756 3.544
24 H SER 6 H SER 6 -4.922 0.440 0.339
25 HA SER 6 HA SER 6 -5.866 -2.156 -0.693
26 HB2 SER 6 2HB SER 6 -4.422 0.235 -1.610
27 HB3 SER 6 1HB SER 6 -3.812 -1.266 -2.304
28 HG SER 6 HG SER 6 -6.045 -1.746 -2.815
29 H LYS 7 H LYS 7 -4.948 -3.959 0.212
30 HA LYS 7 HA LYS 7 -2.622 -4.206 1.729
31 HB2 LYS 7 2HB LYS 7 -3.989 -6.051 -0.247
32 HB3 LYS 7 1HB LYS 7 -2.671 -6.597 0.791
33 HG2 LYS 7 2HG LYS 7 -5.144 -5.236 1.879
34 HG3 LYS 7 1HG LYS 7 -5.021 -6.987 1.703
35 HD2 LYS 7 2HD LYS 7 -3.245 -5.194 3.381
36 HD3 LYS 7 1HD LYS 7 -4.368 -6.422 3.964
37 HE2 LYS 7 2HE LYS 7 -2.969 -8.086 2.532
38 HE3 LYS 7 1HE LYS 7 -1.732 -6.812 2.549
39 HZ1 LYS 7 3HZ LYS 7 -3.117 -7.782 4.988
40 HZ2 LYS 7 1HZ LYS 7 -1.773 -6.751 4.908
41 HZ3 LYS 7 2HZ LYS 7 -1.615 -8.385 4.469
42 H TRP 8 H TRP 8 -2.924 -4.323 -1.824
43 HA TRP 8 HA TRP 8 -0.301 -5.043 -2.529
44 HB2 TRP 8 2HB TRP 8 -1.997 -4.814 -4.196
45 HB3 TRP 8 1HB TRP 8 -2.339 -3.147 -3.719
46 HD1 TRP 8 HD TRP 8 0.104 -5.268 -5.712
47 HE1 TRP 8 1HE TRP 8 1.629 -3.717 -7.098
48 HE3 TRP 8 3HE TRP 8 -1.250 -0.741 -3.779
49 HZ2 TRP 8 2HZ TRP 8 2.200 -0.923 -7.348
50 HZ3 TRP 8 3HZ TRP 8 -0.199 1.340 -4.608
51 HH2 TRP 8 HH TRP 8 1.520 1.258 -6.387
52 H CYS 9 H CYS 9 -1.553 -1.704 -2.114
53 HA CYS 9 HA CYS 9 0.780 -0.220 -2.413
54 HB2 CYS 9 2HB CYS 9 -1.440 0.708 -1.965
55 HB3 CYS 9 1HB CYS 9 -1.432 0.017 -0.346
56 H ARG 10 H ARG 10 -0.373 -1.723 0.604
57 HA ARG 10 HA ARG 10 1.875 -1.037 2.225
58 HB2 ARG 10 2HB ARG 10 -0.308 -3.116 2.264
59 HB3 ARG 10 1HB ARG 10 0.889 -3.035 3.552
60 HG2 ARG 10 2HG ARG 10 0.248 -0.814 4.148
61 HG3 ARG 10 1HG ARG 10 -0.706 -0.622 2.677
62 HD2 ARG 10 2HD ARG 10 -2.215 -1.061 4.565
63 HD3 ARG 10 1HD ARG 10 -2.213 -2.474 3.490
64 HE ARG 10 HE ARG 10 -1.044 -3.691 5.155
65 HH11 ARG 10 1HH2 ARG 10 -1.045 -0.293 5.780
66 HH12 ARG 10 2HH2 ARG 10 -0.354 -0.455 7.359
67 HH21 ARG 10 1HH1 ARG 10 -0.142 -3.911 7.210
68 HH22 ARG 10 2HH1 ARG 10 0.157 -2.500 8.168
69 H ASP 11 H ASP 11 1.213 -3.920 0.217
70 HA ASP 11 HA ASP 11 3.699 -5.230 1.108
71 HB2 ASP 11 2HB ASP 11 1.205 -5.962 0.027
72 HB3 ASP 11 1HB ASP 11 2.389 -6.374 -1.214
73 H HIS 12 H HIS 12 2.546 -3.428 -1.706
74 HA HIS 12 HA HIS 12 4.997 -4.028 -3.250
75 HB2 HIS 12 2HB HIS 12 2.319 -2.775 -3.660
76 HB3 HIS 12 1HB HIS 12 3.619 -2.272 -4.745
77 HD1 HIS 12 1HD HIS 12 3.900 -3.734 -6.740
78 HD2 HIS 12 2HD HIS 12 2.223 -5.824 -3.547
79 HE1 HIS 12 1HE HIS 12 3.419 -6.073 -7.587
80 H SER 13 H SER 13 3.293 -0.971 -2.475
81 HA SER 13 HA SER 13 5.857 0.491 -2.629
82 HB2 SER 13 2HB SER 13 3.423 1.917 -1.803
83 HB3 SER 13 1HB SER 13 4.488 2.223 -3.175
84 HG SER 13 HG SER 13 3.189 1.106 -4.395
85 H ARG 14 H ARG 14 6.390 2.055 -0.852
86 HA ARG 14 HA ARG 14 5.732 0.883 1.828
87 HB2 ARG 14 2HB ARG 14 8.115 2.431 0.759
88 HB3 ARG 14 1HB ARG 14 7.935 1.938 2.444
89 HG2 ARG 14 2HG ARG 14 7.434 -0.415 1.124
90 HG3 ARG 14 1HG ARG 14 8.651 0.324 0.084
91 HD2 ARG 14 2HD ARG 14 9.691 0.810 2.590
92 HD3 ARG 14 1HD ARG 14 8.947 -0.788 2.795
93 HE ARG 14 HE ARG 14 10.363 -0.637 0.283
94 HH11 ARG 14 1HH2 ARG 14 10.747 -0.949 3.701
95 HH12 ARG 14 2HH2 ARG 14 12.226 -1.840 3.585
96 HH21 ARG 14 1HH1 ARG 14 12.293 -1.799 0.118
97 HH22 ARG 14 2HH1 ARG 14 13.101 -2.321 1.558
98 H CYS 15 H CYS 15 4.851 3.397 -0.117
99 HA CYS 15 HA CYS 15 5.093 5.765 1.399
100 HB2 CYS 15 2HB CYS 15 3.084 4.628 -0.534
101 HB3 CYS 15 1HB CYS 15 2.797 6.204 0.202
102 H CYS 16 H CYS 16 3.271 2.905 2.077
103 HA CYS 16 HA CYS 16 1.207 4.100 3.728
104 HB2 CYS 16 2HB CYS 16 1.255 1.828 2.567
105 HB3 CYS 16 1HB CYS 16 2.359 1.299 3.842
106 HN1 NH2 17 1H CYS 16 3.215 5.494 4.793
107 HN2 NH2 17 2H CYS 16 3.795 4.846 6.251
Start of MODEL 19
1 H1 CYS 1 H CYS 1 1.755 9.082 -4.580
2 HA CYS 1 HA CYS 1 2.246 6.772 -4.666
3 HB2 CYS 1 2HB CYS 1 2.888 5.830 -2.465
4 HB3 CYS 1 1HB CYS 1 3.544 7.457 -2.673
5 H CYS 2 H CYS 2 1.340 4.562 -3.756
6 HA CYS 2 HA CYS 2 -1.422 4.366 -4.320
7 HB2 CYS 2 2HB CYS 2 -1.146 2.107 -3.263
8 HB3 CYS 2 1HB CYS 2 0.148 2.502 -4.399
9 H ASN 3 H ASN 3 -2.678 2.999 -2.283
10 HA ASN 3 HA ASN 3 -2.821 5.040 -0.087
11 HB2 ASN 3 2HB ASN 3 -4.708 4.166 -1.996
12 HB3 ASN 3 1HB ASN 3 -5.210 3.446 -0.463
13 HD21 ASN 3 1HD2 ASN 3 -6.421 4.800 0.870
14 HD22 ASN 3 2HD2 ASN 3 -6.445 6.494 0.774
15 H CYS 4 H CYS 4 -3.218 4.226 2.043
16 HA CYS 4 HA CYS 4 -2.022 1.662 2.650
17 HB2 CYS 4 2HB CYS 4 -3.392 3.909 4.090
18 HB3 CYS 4 1HB CYS 4 -3.129 2.390 4.956
19 H SER 5 H SER 5 -5.184 2.599 1.719
20 HA SER 5 HA SER 5 -6.714 0.630 3.191
21 HB2 SER 5 2HB SER 5 -7.602 2.716 2.175
22 HB3 SER 5 1HB SER 5 -7.243 2.076 0.573
23 HG SER 5 HG SER 5 -9.249 1.392 0.811
24 H SER 6 H SER 6 -4.682 0.476 0.383
25 HA SER 6 HA SER 6 -5.902 -2.110 -0.481
26 HB2 SER 6 2HB SER 6 -4.448 0.132 -1.695
27 HB3 SER 6 1HB SER 6 -3.842 -1.442 -2.216
28 HG SER 6 HG SER 6 -6.607 -1.058 -2.091
29 H LYS 7 H LYS 7 -4.951 -3.949 0.288
30 HA LYS 7 HA LYS 7 -2.629 -4.077 1.895
31 HB2 LYS 7 2HB LYS 7 -4.326 -5.833 1.752
32 HB3 LYS 7 1HB LYS 7 -3.922 -6.122 0.059
33 HG2 LYS 7 2HG LYS 7 -1.467 -6.380 1.225
34 HG3 LYS 7 1HG LYS 7 -2.513 -6.994 2.506
35 HD2 LYS 7 2HD LYS 7 -3.640 -8.419 0.702
36 HD3 LYS 7 1HD LYS 7 -2.284 -7.986 -0.342
37 HE2 LYS 7 2HE LYS 7 -1.579 -10.020 0.647
38 HE3 LYS 7 1HE LYS 7 -0.807 -8.795 1.674
39 HZ1 LYS 7 3HZ LYS 7 -2.258 -9.143 3.356
40 HZ2 LYS 7 1HZ LYS 7 -2.381 -10.684 2.661
41 HZ3 LYS 7 2HZ LYS 7 -3.556 -9.507 2.321
42 H TRP 8 H TRP 8 -2.969 -4.536 -1.634
43 HA TRP 8 HA TRP 8 -0.344 -5.337 -2.268
44 HB2 TRP 8 2HB TRP 8 -2.016 -5.299 -3.964
45 HB3 TRP 8 1HB TRP 8 -2.413 -3.608 -3.642
46 HD1 TRP 8 HD TRP 8 0.127 -5.818 -5.411
47 HE1 TRP 8 1HE TRP 8 1.596 -4.349 -6.939
48 HE3 TRP 8 3HE TRP 8 -1.448 -1.185 -3.957
49 HZ2 TRP 8 2HZ TRP 8 2.042 -1.573 -7.474
50 HZ3 TRP 8 3HZ TRP 8 -0.487 0.851 -4.989
51 HH2 TRP 8 HH TRP 8 1.254 0.664 -6.744
52 H CYS 9 H CYS 9 -1.616 -1.986 -2.214
53 HA CYS 9 HA CYS 9 0.683 -0.500 -2.658
54 HB2 CYS 9 2HB CYS 9 -1.434 0.552 -2.292
55 HB3 CYS 9 1HB CYS 9 -1.617 -0.197 -0.713
56 H ARG 10 H ARG 10 -0.441 -1.643 0.521
57 HA ARG 10 HA ARG 10 1.844 -0.872 2.035
58 HB2 ARG 10 2HB ARG 10 -0.290 -3.003 2.301
59 HB3 ARG 10 1HB ARG 10 0.868 -2.662 3.581
60 HG2 ARG 10 2HG ARG 10 0.105 -0.177 3.246
61 HG3 ARG 10 1HG ARG 10 -1.313 -0.908 2.495
62 HD2 ARG 10 2HD ARG 10 -0.295 -1.518 5.296
63 HD3 ARG 10 1HD ARG 10 -1.732 -0.553 4.899
64 HE ARG 10 HE ARG 10 -2.107 -2.923 3.502
65 HH11 ARG 10 1HH2 ARG 10 -1.475 -2.024 6.778
66 HH12 ARG 10 2HH2 ARG 10 -2.328 -3.373 7.448
67 HH21 ARG 10 1HH1 ARG 10 -3.222 -4.686 4.367
68 HH22 ARG 10 2HH1 ARG 10 -3.314 -4.879 6.085
69 H ASP 11 H ASP 11 1.185 -3.744 0.079
70 HA ASP 11 HA ASP 11 3.712 -5.014 1.015
71 HB2 ASP 11 2HB ASP 11 1.278 -5.895 -0.546
72 HB3 ASP 11 1HB ASP 11 2.708 -6.917 -0.398
73 H HIS 12 H HIS 12 2.915 -2.816 -1.320
74 HA HIS 12 HA HIS 12 5.040 -3.868 -3.156
75 HB2 HIS 12 2HB HIS 12 2.215 -3.048 -3.659
76 HB3 HIS 12 1HB HIS 12 3.412 -2.621 -4.886
77 HD1 HIS 12 1HD HIS 12 4.277 -4.481 -6.370
78 HD2 HIS 12 2HD HIS 12 2.053 -5.928 -3.155
79 HE1 HIS 12 1HE HIS 12 3.962 -6.960 -6.775
80 H SER 13 H SER 13 3.969 -1.300 -1.225
81 HA SER 13 HA SER 13 5.777 0.586 -2.699
82 HB2 SER 13 2HB SER 13 3.461 1.666 -1.181
83 HB3 SER 13 1HB SER 13 4.128 2.182 -2.730
84 HG SER 13 HG SER 13 2.858 0.814 -3.731
85 H ARG 14 H ARG 14 6.051 2.611 -1.024
86 HA ARG 14 HA ARG 14 6.733 1.416 1.643
87 HB2 ARG 14 2HB ARG 14 8.771 2.756 1.564
88 HB3 ARG 14 1HB ARG 14 8.660 1.807 0.082
89 HG2 ARG 14 2HG ARG 14 8.412 3.652 -1.223
90 HG3 ARG 14 1HG ARG 14 7.340 4.442 -0.066
91 HD2 ARG 14 2HD ARG 14 9.290 5.042 1.341
92 HD3 ARG 14 1HD ARG 14 10.368 4.263 0.164
93 HE ARG 14 HE ARG 14 8.696 6.068 -1.257
94 HH11 ARG 14 1HH2 ARG 14 11.203 6.049 1.122
95 HH12 ARG 14 2HH2 ARG 14 11.820 7.601 0.669
96 HH21 ARG 14 1HH1 ARG 14 9.493 8.094 -1.852
97 HH22 ARG 14 2HH1 ARG 14 10.856 8.757 -1.013
98 H CYS 15 H CYS 15 4.484 3.264 0.416
99 HA CYS 15 HA CYS 15 4.799 5.766 1.907
100 HB2 CYS 15 2HB CYS 15 3.351 4.830 -0.268
101 HB3 CYS 15 1HB CYS 15 2.120 4.996 0.984
102 H CYS 16 H CYS 16 3.089 2.691 2.317
103 HA CYS 16 HA CYS 16 1.738 3.615 4.775
104 HB2 CYS 16 2HB CYS 16 1.064 1.909 2.808
105 HB3 CYS 16 1HB CYS 16 1.827 0.759 3.910
106 HN1 NH2 17 1H CYS 16 4.878 2.950 4.297
107 HN2 NH2 17 2H CYS 16 5.256 2.076 5.701
Start of MODEL 20
1 H1 CYS 1 H CYS 1 1.019 8.638 -4.767
2 HA CYS 1 HA CYS 1 2.706 6.471 -4.312
3 HB2 CYS 1 2HB CYS 1 2.571 7.970 -2.015
4 HB3 CYS 1 1HB CYS 1 1.334 6.747 -1.711
5 H CYS 2 H CYS 2 0.941 4.948 -2.508
6 HA CYS 2 HA CYS 2 -1.493 4.787 -4.256
7 HB2 CYS 2 2HB CYS 2 -1.374 2.317 -3.572
8 HB3 CYS 2 1HB CYS 2 -0.096 2.883 -4.650
9 H ASN 3 H ASN 3 -3.234 3.384 -2.946
10 HA ASN 3 HA ASN 3 -3.790 4.911 -0.488
11 HB2 ASN 3 2HB ASN 3 -5.230 3.765 -2.592
12 HB3 ASN 3 1HB ASN 3 -5.616 2.747 -1.201
13 HD21 ASN 3 1HD2 ASN 3 -5.763 4.435 0.926
14 HD22 ASN 3 2HD2 ASN 3 -6.888 5.678 0.664
15 H CYS 4 H CYS 4 -3.040 4.162 1.453
16 HA CYS 4 HA CYS 4 -1.841 1.644 1.932
17 HB2 CYS 4 2HB CYS 4 -3.033 3.869 3.530
18 HB3 CYS 4 1HB CYS 4 -2.686 2.360 4.380
19 H SER 5 H SER 5 -5.197 2.497 1.693
20 HA SER 5 HA SER 5 -6.451 0.558 3.326
21 HB2 SER 5 2HB SER 5 -7.082 2.397 1.237
22 HB3 SER 5 1HB SER 5 -7.834 0.857 0.830
23 HG SER 5 HG SER 5 -7.985 1.898 3.444
24 H SER 6 H SER 6 -5.303 0.262 -0.041
25 HA SER 6 HA SER 6 -6.084 -2.551 -0.230
26 HB2 SER 6 2HB SER 6 -5.390 -0.399 -1.927
27 HB3 SER 6 1HB SER 6 -4.170 -1.644 -2.197
28 HG SER 6 HG SER 6 -5.946 -3.127 -2.450
29 H LYS 7 H LYS 7 -4.870 -4.166 0.634
30 HA LYS 7 HA LYS 7 -2.430 -3.953 1.980
31 HB2 LYS 7 2HB LYS 7 -4.048 -5.895 1.863
32 HB3 LYS 7 1HB LYS 7 -3.353 -6.302 0.294
33 HG2 LYS 7 2HG LYS 7 -1.513 -7.223 1.233
34 HG3 LYS 7 1HG LYS 7 -1.315 -5.873 2.350
35 HD2 LYS 7 2HD LYS 7 -3.028 -6.798 3.828
36 HD3 LYS 7 1HD LYS 7 -3.329 -8.114 2.693
37 HE2 LYS 7 2HE LYS 7 -1.784 -8.689 4.656
38 HE3 LYS 7 1HE LYS 7 -1.113 -9.025 3.048
39 HZ1 LYS 7 3HZ LYS 7 0.054 -6.980 3.058
40 HZ2 LYS 7 1HZ LYS 7 0.379 -7.711 4.553
41 HZ3 LYS 7 2HZ LYS 7 -0.743 -6.440 4.458
42 H TRP 8 H TRP 8 -2.981 -4.505 -1.493
43 HA TRP 8 HA TRP 8 -0.397 -5.118 -2.384
44 HB2 TRP 8 2HB TRP 8 -2.281 -5.068 -3.877
45 HB3 TRP 8 1HB TRP 8 -2.602 -3.370 -3.512
46 HD1 TRP 8 HD TRP 8 -0.351 -5.631 -5.570
47 HE1 TRP 8 1HE TRP 8 1.012 -4.190 -7.217
48 HE3 TRP 8 3HE TRP 8 -1.539 -0.974 -3.853
49 HZ2 TRP 8 2HZ TRP 8 1.531 -1.420 -7.732
50 HZ3 TRP 8 3HZ TRP 8 -0.598 1.041 -4.938
51 HH2 TRP 8 HH TRP 8 0.933 0.828 -6.873
52 H CYS 9 H CYS 9 -1.800 -1.870 -1.860
53 HA CYS 9 HA CYS 9 0.439 -0.288 -2.534
54 HB2 CYS 9 2HB CYS 9 -1.813 0.547 -2.034
55 HB3 CYS 9 1HB CYS 9 -1.661 0.022 -0.363
56 H ARG 10 H ARG 10 -0.466 -1.607 0.657
57 HA ARG 10 HA ARG 10 1.889 -0.700 2.038
58 HB2 ARG 10 2HB ARG 10 -0.235 -2.800 2.480
59 HB3 ARG 10 1HB ARG 10 1.037 -2.507 3.661
60 HG2 ARG 10 2HG ARG 10 0.381 -0.147 3.819
61 HG3 ARG 10 1HG ARG 10 -0.874 -0.406 2.607
62 HD2 ARG 10 2HD ARG 10 -0.788 -2.010 5.176
63 HD3 ARG 10 1HD ARG 10 -1.661 -0.472 5.048
64 HE ARG 10 HE ARG 10 -2.291 -2.223 2.830
65 HH11 ARG 10 1HH2 ARG 10 -2.903 -1.546 6.162
66 HH12 ARG 10 2HH2 ARG 10 -4.485 -2.253 6.147
67 HH21 ARG 10 1HH1 ARG 10 -4.350 -3.144 2.800
68 HH22 ARG 10 2HH1 ARG 10 -5.303 -3.157 4.246
69 H ASP 11 H ASP 11 1.241 -3.497 0.019
70 HA ASP 11 HA ASP 11 3.699 -4.866 0.982
71 HB2 ASP 11 2HB ASP 11 1.450 -5.629 -0.904
72 HB3 ASP 11 1HB ASP 11 2.785 -6.698 -0.475
73 H HIS 12 H HIS 12 2.511 -3.019 -1.741
74 HA HIS 12 HA HIS 12 4.864 -3.804 -3.395
75 HB2 HIS 12 2HB HIS 12 2.177 -2.529 -3.835
76 HB3 HIS 12 1HB HIS 12 3.451 -2.292 -5.035
77 HD1 HIS 12 1HD HIS 12 3.715 -4.123 -6.716
78 HD2 HIS 12 2HD HIS 12 1.733 -5.450 -3.297
79 HE1 HIS 12 1HE HIS 12 3.011 -6.512 -7.177
80 H SER 13 H SER 13 3.408 -1.028 -1.742
81 HA SER 13 HA SER 13 5.638 0.716 -2.700
82 HB2 SER 13 2HB SER 13 2.964 1.235 -1.368
83 HB3 SER 13 1HB SER 13 4.128 2.506 -1.745
84 HG SER 13 HG SER 13 2.594 0.888 -3.450
85 H ARG 14 H ARG 14 5.974 2.491 -0.727
86 HA ARG 14 HA ARG 14 6.533 0.903 1.757
87 HB2 ARG 14 2HB ARG 14 8.311 3.007 0.490
88 HB3 ARG 14 1HB ARG 14 8.723 1.931 1.825
89 HG2 ARG 14 2HG ARG 14 8.748 0.017 0.415
90 HG3 ARG 14 1HG ARG 14 7.934 0.876 -0.894
91 HD2 ARG 14 2HD ARG 14 10.056 1.158 -1.713
92 HD3 ARG 14 1HD ARG 14 10.166 2.446 -0.496
93 HE ARG 14 HE ARG 14 11.513 1.018 0.832
94 HH11 ARG 14 1HH2 ARG 14 9.868 -0.698 -1.677
95 HH12 ARG 14 2HH2 ARG 14 10.699 -2.187 -1.378
96 HH21 ARG 14 1HH1 ARG 14 12.597 -0.924 1.231
97 HH22 ARG 14 2HH1 ARG 14 12.237 -2.316 0.266
98 H CYS 15 H CYS 15 4.952 3.541 0.439
99 HA CYS 15 HA CYS 15 5.399 5.697 2.204
100 HB2 CYS 15 2HB CYS 15 3.042 4.640 0.652
101 HB3 CYS 15 1HB CYS 15 2.878 6.091 1.642
102 H CYS 16 H CYS 16 3.174 2.918 2.579
103 HA CYS 16 HA CYS 16 2.057 3.782 5.089
104 HB2 CYS 16 2HB CYS 16 1.758 1.711 3.208
105 HB3 CYS 16 1HB CYS 16 2.172 0.904 4.725
106 HN1 NH2 17 1H CYS 16 3.138 3.820 7.079
107 HN2 NH2 17 2H CYS 16 4.466 2.848 7.496