NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
19891 |
2ew4   |
6891 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ASN 1 1HT ASN 1 -0.439 11.663 1.243
2 2H ASN 1 2HT ASN 1 0.152 10.080 1.375
3 3H ASN 1 3HT ASN 1 1.132 11.387 1.811
4 HA ASN 1 HA ASN 1 0.485 10.868 3.871
5 1HB ASN 1 2HB ASN 1 -1.530 12.159 4.526
6 2HB ASN 1 1HB ASN 1 -0.475 13.072 3.455
7 1HD2 ASN 1 1HD2 ASN 1 -3.549 12.717 4.104
8 2HD2 ASN 1 2HD2 ASN 1 -4.249 12.860 2.529
9 H GLY 2 H GLY 2 -2.225 10.102 1.674
10 1HA GLY 2 2HA GLY 2 -3.405 8.240 3.507
11 2HA GLY 2 1HA GLY 2 -3.828 8.449 1.810
12 H VAL 3 H VAL 3 -3.138 6.065 3.650
13 HA VAL 3 HA VAL 3 -1.028 4.911 1.961
14 HB VAL 3 HB VAL 3 -1.981 3.979 4.676
15 1HG1 VAL 3 1HG1 VAL 3 -0.193 2.817 2.652
16 2HG1 VAL 3 2HG1 VAL 3 -1.093 2.040 3.956
17 3HG1 VAL 3 3HG1 VAL 3 0.445 2.834 4.297
18 1HG2 VAL 3 1HG2 VAL 3 0.613 5.333 3.948
19 2HG2 VAL 3 2HG2 VAL 3 0.078 4.852 5.558
20 3HG2 VAL 3 3HG2 VAL 3 -0.762 6.144 4.700
21 H CYS 4 H CYS 4 -1.624 3.509 0.488
22 HA CYS 4 HA CYS 4 -4.145 2.030 0.845
23 1HB CYS 4 2HB CYS 4 -2.812 3.048 -1.673
24 2HB CYS 4 1HB CYS 4 -4.128 1.882 -1.691
25 H CYS 5 H CYS 5 -3.933 -0.108 1.037
26 HA CYS 5 HA CYS 5 -1.333 -1.312 0.564
27 1HB CYS 5 2HB CYS 5 -3.851 -2.568 1.678
28 2HB CYS 5 1HB CYS 5 -2.226 -3.247 1.736
29 H GLY 6 H GLY 6 -0.833 -2.285 -1.275
30 1HA GLY 6 2HA GLY 6 -2.948 -2.869 -3.201
31 2HA GLY 6 1HA GLY 6 -1.222 -2.830 -3.529
32 H TYR 7 H TYR 7 -0.505 -4.731 -4.113
33 HA TYR 7 HA TYR 7 -1.845 -7.180 -3.539
34 1HB TYR 7 2HB TYR 7 -0.570 -6.686 -5.656
35 2HB TYR 7 1HB TYR 7 0.915 -6.807 -4.721
36 HD1 TYR 7 1HD TYR 7 -2.166 -8.917 -4.637
37 HD2 TYR 7 2HD TYR 7 2.001 -8.715 -5.480
38 HE1 TYR 7 1HE TYR 7 -2.132 -11.345 -5.023
39 HE2 TYR 7 2HE TYR 7 2.045 -11.143 -5.867
40 HH TYR 7 HH TYR 7 0.855 -13.092 -5.485
41 H LYS 8 H LYS 8 -1.657 -6.557 -1.182
42 HA LYS 8 HA LYS 8 -0.963 -7.126 0.905
43 1HB LYS 8 2HB LYS 8 -0.254 -9.310 -0.642
44 2HB LYS 8 1HB LYS 8 1.252 -8.895 0.163
45 1HG LYS 8 2HG LYS 8 -1.351 -9.333 1.607
46 2HG LYS 8 1HG LYS 8 -0.147 -10.592 1.341
47 1HD LYS 8 2HD LYS 8 0.600 -8.009 2.669
48 2HD LYS 8 1HD LYS 8 -0.155 -9.310 3.589
49 1HE LYS 8 2HE LYS 8 2.209 -9.521 3.836
50 2HE LYS 8 1HE LYS 8 1.661 -10.829 2.792
51 1HZ LYS 8 1HZ LYS 8 3.744 -9.361 2.200
52 2HZ LYS 8 2HZ LYS 8 2.567 -8.352 1.516
53 3HZ LYS 8 3HZ LYS 8 2.718 -9.958 0.994
54 H LEU 9 H LEU 9 0.044 -4.879 -0.334
55 HA LEU 9 HA LEU 9 2.447 -4.443 1.218
56 1HB LEU 9 2HB LEU 9 3.330 -5.223 -0.942
57 2HB LEU 9 1HB LEU 9 2.401 -3.991 -1.772
58 HG LEU 9 HG LEU 9 3.724 -2.249 -0.591
59 1HD1 LEU 9 1HD1 LEU 9 5.699 -2.819 0.629
60 2HD1 LEU 9 2HD1 LEU 9 5.477 -4.534 0.287
61 3HD1 LEU 9 3HD1 LEU 9 4.343 -3.693 1.343
62 1HD2 LEU 9 1HD2 LEU 9 5.909 -3.682 -1.805
63 2HD2 LEU 9 2HD2 LEU 9 5.060 -2.242 -2.366
64 3HD2 LEU 9 3HD2 LEU 9 4.437 -3.843 -2.764
65 H CYS 10 H CYS 10 1.813 -2.752 2.362
66 HA CYS 10 HA CYS 10 -0.054 -0.831 1.299
67 1HB CYS 10 2HB CYS 10 1.346 -0.881 3.978
68 2HB CYS 10 1HB CYS 10 -0.040 0.117 3.543
69 H HIS 11 H HIS 11 0.347 1.214 0.690
70 HA HIS 11 HA HIS 11 2.822 2.567 1.218
71 1HB HIS 11 2HB HIS 11 3.489 2.798 -1.168
72 2HB HIS 11 1HB HIS 11 3.608 1.138 -0.601
73 HD1 HIS 11 1HD HIS 11 1.060 3.282 -2.494
74 HD2 HIS 11 2HD HIS 11 2.478 -0.629 -2.298
75 HE1 HIS 11 1HE HIS 11 -0.144 2.031 -4.312
76 HA HYP 12 HA HYP 12 0.315 6.139 0.629
77 1HB HYP 12 1HB HYP 12 1.615 7.933 0.105
78 2HB HYP 12 2HB HYP 12 2.177 7.203 -1.398
79 1HD HYP 12 2HD1 HYP 12 3.876 4.515 0.343
80 2HD HYP 12 1HD1 HYP 12 2.991 5.001 1.802
81 HOD HYP 12 2HD HYP 12 4.375 7.127 1.785
82 HG HYP 12 HG HYP 12 4.112 6.716 -0.269
83 H CYS 13 H CYS 13 -1.332 6.746 -0.634
84 HA CYS 13 HA CYS 13 -1.869 5.232 -3.006
85 1HB CYS 13 2HB CYS 13 -3.487 7.577 -2.027
86 2HB CYS 13 1HB CYS 13 -4.039 6.162 -2.918
87 1HN NH2 14 1H CYS 13 -1.718 6.600 -5.526
88 2HN NH2 14 2H CYS 13 -0.115 6.508 -4.889
Start of MODEL 2
1 1H ASN 1 1HT ASN 1 -8.762 9.095 1.738
2 2H ASN 1 2HT ASN 1 -7.993 10.004 2.944
3 3H ASN 1 3HT ASN 1 -9.231 8.925 3.359
4 HA ASN 1 HA ASN 1 -7.546 7.567 3.877
5 1HB ASN 1 2HB ASN 1 -6.865 6.188 1.897
6 2HB ASN 1 1HB ASN 1 -8.601 6.465 1.986
7 1HD2 ASN 1 1HD2 ASN 1 -6.288 6.143 -0.170
8 2HD2 ASN 1 2HD2 ASN 1 -6.803 7.266 -1.379
9 H GLY 2 H GLY 2 -5.240 6.807 2.336
10 1HA GLY 2 2HA GLY 2 -3.622 8.974 1.595
11 2HA GLY 2 1HA GLY 2 -3.352 8.647 3.302
12 H VAL 3 H VAL 3 -3.443 6.003 3.510
13 HA VAL 3 HA VAL 3 -1.225 5.112 1.805
14 HB VAL 3 HB VAL 3 -2.077 4.018 4.497
15 1HG1 VAL 3 1HG1 VAL 3 -0.166 3.123 2.464
16 2HG1 VAL 3 2HG1 VAL 3 -0.936 2.227 3.774
17 3HG1 VAL 3 3HG1 VAL 3 0.490 3.212 4.098
18 1HG2 VAL 3 1HG2 VAL 3 0.531 5.163 4.521
19 2HG2 VAL 3 2HG2 VAL 3 -0.887 5.624 5.462
20 3HG2 VAL 3 3HG2 VAL 3 -0.602 6.353 3.881
21 H CYS 4 H CYS 4 -1.702 3.679 0.305
22 HA CYS 4 HA CYS 4 -4.179 2.127 0.535
23 1HB CYS 4 2HB CYS 4 -2.462 2.912 -1.825
24 2HB CYS 4 1HB CYS 4 -3.711 1.677 -1.948
25 H CYS 5 H CYS 5 -4.121 -0.113 0.566
26 HA CYS 5 HA CYS 5 -1.476 -1.344 0.275
27 1HB CYS 5 2HB CYS 5 -2.101 -0.894 2.708
28 2HB CYS 5 1HB CYS 5 -3.358 -2.111 2.502
29 H GLY 6 H GLY 6 -1.474 -3.094 -0.931
30 1HA GLY 6 2HA GLY 6 -4.063 -4.252 -1.709
31 2HA GLY 6 1HA GLY 6 -2.565 -4.382 -2.625
32 H TYR 7 H TYR 7 -1.917 -6.416 -2.666
33 HA TYR 7 HA TYR 7 -2.589 -8.295 -0.613
34 1HB TYR 7 2HB TYR 7 -2.521 -9.021 -2.956
35 2HB TYR 7 1HB TYR 7 -0.813 -8.602 -3.050
36 HD1 TYR 7 1HD TYR 7 0.430 -10.539 -3.266
37 HD2 TYR 7 2HD TYR 7 -2.805 -10.479 -0.503
38 HE1 TYR 7 1HE TYR 7 1.061 -12.783 -2.485
39 HE2 TYR 7 2HE TYR 7 -2.184 -12.724 0.282
40 HH TYR 7 HH TYR 7 -0.597 -14.810 -1.125
41 H LYS 8 H LYS 8 -1.520 -6.828 0.961
42 HA LYS 8 HA LYS 8 0.065 -6.557 2.579
43 1HB LYS 8 2HB LYS 8 1.563 -8.767 1.149
44 2HB LYS 8 1HB LYS 8 1.957 -8.129 2.738
45 1HG LYS 8 2HG LYS 8 -0.040 -9.008 3.678
46 2HG LYS 8 1HG LYS 8 -0.678 -9.422 2.087
47 1HD LYS 8 2HD LYS 8 1.749 -10.650 3.398
48 2HD LYS 8 1HD LYS 8 0.161 -11.405 3.243
49 1HE LYS 8 2HE LYS 8 0.400 -11.170 0.756
50 2HE LYS 8 1HE LYS 8 2.063 -10.656 1.028
51 1HZ LYS 8 1HZ LYS 8 1.105 -13.253 0.807
52 2HZ LYS 8 2HZ LYS 8 1.564 -13.057 2.426
53 3HZ LYS 8 3HZ LYS 8 2.682 -12.762 1.191
54 H LEU 9 H LEU 9 -0.015 -4.980 0.303
55 HA LEU 9 HA LEU 9 2.796 -4.156 0.062
56 1HB LEU 9 2HB LEU 9 0.680 -4.064 -2.095
57 2HB LEU 9 1HB LEU 9 2.292 -3.390 -2.235
58 HG LEU 9 HG LEU 9 1.732 -6.318 -1.791
59 1HD1 LEU 9 1HD1 LEU 9 2.626 -5.101 -4.380
60 2HD1 LEU 9 2HD1 LEU 9 0.914 -5.273 -3.993
61 3HD1 LEU 9 3HD1 LEU 9 1.945 -6.700 -4.079
62 1HD2 LEU 9 1HD2 LEU 9 3.910 -5.791 -1.033
63 2HD2 LEU 9 2HD2 LEU 9 4.215 -4.740 -2.416
64 3HD2 LEU 9 3HD2 LEU 9 4.104 -6.485 -2.643
65 H CYS 10 H CYS 10 1.948 -2.965 1.996
66 HA CYS 10 HA CYS 10 0.093 -0.824 1.548
67 1HB CYS 10 2HB CYS 10 1.965 -1.321 3.873
68 2HB CYS 10 1HB CYS 10 0.663 -0.140 3.847
69 H HIS 11 H HIS 11 0.493 1.168 0.874
70 HA HIS 11 HA HIS 11 2.935 2.561 1.332
71 1HB HIS 11 2HB HIS 11 3.655 2.814 -1.014
72 2HB HIS 11 1HB HIS 11 3.767 1.145 -0.483
73 HD1 HIS 11 1HD HIS 11 3.812 1.349 -3.370
74 HD2 HIS 11 2HD HIS 11 0.189 1.378 -1.336
75 HE1 HIS 11 1HE HIS 11 2.088 0.645 -5.056
76 HA HYP 12 HA HYP 12 0.305 6.038 0.756
77 1HB HYP 12 1HB HYP 12 1.616 7.871 0.503
78 2HB HYP 12 2HB HYP 12 2.177 7.343 -1.083
79 1HD HYP 12 2HD1 HYP 12 3.932 4.494 0.597
80 2HD HYP 12 1HD1 HYP 12 2.981 4.990 2.012
81 HOD HYP 12 2HD HYP 12 4.326 7.835 1.502
82 HG HYP 12 HG HYP 12 4.130 6.671 -0.108
83 H CYS 13 H CYS 13 -1.310 6.601 -0.594
84 HA CYS 13 HA CYS 13 -1.673 5.133 -2.994
85 1HB CYS 13 2HB CYS 13 -3.248 7.535 -2.067
86 2HB CYS 13 1HB CYS 13 -3.783 6.283 -3.178
87 1HN NH2 14 1H CYS 13 -1.216 8.611 -2.426
88 2HN NH2 14 2H CYS 13 -0.255 8.832 -3.842
Start of MODEL 3
1 1H ASN 1 1HT ASN 1 -7.708 8.297 0.792
2 2H ASN 1 2HT ASN 1 -8.860 8.131 2.022
3 3H ASN 1 3HT ASN 1 -8.523 6.827 0.993
4 HA ASN 1 HA ASN 1 -7.183 7.665 3.376
5 1HB ASN 1 2HB ASN 1 -6.293 5.302 3.130
6 2HB ASN 1 1HB ASN 1 -8.048 5.437 3.164
7 1HD2 ASN 1 1HD2 ASN 1 -5.547 3.950 1.650
8 2HD2 ASN 1 2HD2 ASN 1 -6.305 3.599 0.133
9 H GLY 2 H GLY 2 -4.963 7.880 3.710
10 1HA GLY 2 2HA GLY 2 -3.482 8.911 1.480
11 2HA GLY 2 1HA GLY 2 -2.894 8.733 3.127
12 H VAL 3 H VAL 3 -2.891 6.217 3.708
13 HA VAL 3 HA VAL 3 -0.960 5.065 1.896
14 HB VAL 3 HB VAL 3 -0.492 4.953 4.285
15 1HG1 VAL 3 1HG1 VAL 3 -3.240 4.101 4.446
16 2HG1 VAL 3 2HG1 VAL 3 -2.164 4.680 5.718
17 3HG1 VAL 3 3HG1 VAL 3 -2.174 2.971 5.282
18 1HG2 VAL 3 1HG2 VAL 3 -0.727 2.560 2.616
19 2HG2 VAL 3 2HG2 VAL 3 -0.602 2.232 4.345
20 3HG2 VAL 3 3HG2 VAL 3 0.647 3.178 3.534
21 H CYS 4 H CYS 4 -1.308 3.405 0.536
22 HA CYS 4 HA CYS 4 -3.981 2.169 0.564
23 1HB CYS 4 2HB CYS 4 -2.231 2.830 -1.820
24 2HB CYS 4 1HB CYS 4 -3.797 2.024 -1.893
25 H CYS 5 H CYS 5 -3.924 0.058 0.996
26 HA CYS 5 HA CYS 5 -1.408 -1.382 0.694
27 1HB CYS 5 2HB CYS 5 -4.004 -2.224 2.003
28 2HB CYS 5 1HB CYS 5 -2.505 -3.147 2.020
29 H GLY 6 H GLY 6 -1.020 -2.530 -1.065
30 1HA GLY 6 2HA GLY 6 -3.243 -3.251 -2.827
31 2HA GLY 6 1HA GLY 6 -1.534 -3.285 -3.244
32 H TYR 7 H TYR 7 -0.961 -5.285 -3.702
33 HA TYR 7 HA TYR 7 -2.262 -7.592 -2.619
34 1HB TYR 7 2HB TYR 7 0.181 -7.274 -4.374
35 2HB TYR 7 1HB TYR 7 -0.455 -8.837 -3.877
36 HD1 TYR 7 1HD TYR 7 -1.868 -5.676 -5.332
37 HD2 TYR 7 2HD TYR 7 -1.660 -9.922 -5.495
38 HE1 TYR 7 1HE TYR 7 -3.395 -5.671 -7.257
39 HE2 TYR 7 2HE TYR 7 -3.187 -9.928 -7.422
40 HH TYR 7 HH TYR 7 -4.068 -8.571 -9.079
41 H LYS 8 H LYS 8 -1.733 -6.625 -0.430
42 HA LYS 8 HA LYS 8 -0.784 -6.953 1.612
43 1HB LYS 8 2HB LYS 8 0.948 -8.958 0.153
44 2HB LYS 8 1HB LYS 8 0.978 -8.705 1.891
45 1HG LYS 8 2HG LYS 8 -1.322 -9.432 2.071
46 2HG LYS 8 1HG LYS 8 -1.429 -9.598 0.318
47 1HD LYS 8 2HD LYS 8 -1.072 -11.764 1.403
48 2HD LYS 8 1HD LYS 8 0.287 -11.330 0.364
49 1HE LYS 8 2HE LYS 8 1.502 -10.520 2.361
50 2HE LYS 8 1HE LYS 8 0.161 -11.066 3.367
51 1HZ LYS 8 1HZ LYS 8 1.052 -13.143 1.651
52 2HZ LYS 8 2HZ LYS 8 0.952 -13.121 3.340
53 3HZ LYS 8 3HZ LYS 8 2.341 -12.542 2.568
54 H LEU 9 H LEU 9 0.065 -4.980 -0.303
55 HA LEU 9 HA LEU 9 2.672 -4.327 0.867
56 1HB LEU 9 2HB LEU 9 1.899 -4.056 -2.040
57 2HB LEU 9 1HB LEU 9 3.321 -3.316 -1.331
58 HG LEU 9 HG LEU 9 2.828 -6.289 -1.345
59 1HD1 LEU 9 1HD1 LEU 9 3.103 -5.069 -3.625
60 2HD1 LEU 9 2HD1 LEU 9 4.062 -6.510 -3.288
61 3HD1 LEU 9 3HD1 LEU 9 4.789 -4.910 -3.131
62 1HD2 LEU 9 1HD2 LEU 9 5.134 -4.533 -0.576
63 2HD2 LEU 9 2HD2 LEU 9 5.369 -6.223 -1.023
64 3HD2 LEU 9 3HD2 LEU 9 4.353 -5.809 0.357
65 H CYS 10 H CYS 10 1.854 -2.853 2.250
66 HA CYS 10 HA CYS 10 -0.041 -0.861 1.411
67 1HB CYS 10 2HB CYS 10 1.526 -1.156 3.981
68 2HB CYS 10 1HB CYS 10 0.260 0.037 3.709
69 H HIS 11 H HIS 11 0.347 1.088 0.650
70 HA HIS 11 HA HIS 11 2.720 2.582 1.218
71 1HB HIS 11 2HB HIS 11 3.604 2.720 -1.049
72 2HB HIS 11 1HB HIS 11 3.588 1.039 -0.538
73 HD1 HIS 11 1HD HIS 11 1.250 -0.267 -1.428
74 HD2 HIS 11 2HD HIS 11 2.610 3.055 -3.532
75 HE1 HIS 11 1HE HIS 11 0.175 -0.416 -3.694
76 HA HYP 12 HA HYP 12 -0.353 5.694 0.587
77 1HB HYP 12 1HB HYP 12 0.673 7.663 1.077
78 2HB HYP 12 2HB HYP 12 1.812 7.499 -0.263
79 1HD HYP 12 2HD1 HYP 12 3.528 5.118 0.309
80 2HD HYP 12 1HD1 HYP 12 2.974 4.425 1.851
81 HOD HYP 12 2HD HYP 12 2.444 6.815 3.392
82 HG HYP 12 HG HYP 12 3.235 7.092 1.587
83 H CYS 13 H CYS 13 -1.552 6.434 -1.052
84 HA CYS 13 HA CYS 13 -0.963 5.555 -3.697
85 1HB CYS 13 2HB CYS 13 -3.206 7.034 -2.396
86 2HB CYS 13 1HB CYS 13 -3.069 7.104 -4.147
87 1HN NH2 14 1H CYS 13 -0.688 8.589 -2.007
88 2HN NH2 14 2H CYS 13 0.138 9.422 -3.273
Start of MODEL 4
1 1H ASN 1 1HT ASN 1 -6.900 4.825 3.359
2 2H ASN 1 2HT ASN 1 -7.834 5.272 4.700
3 3H ASN 1 3HT ASN 1 -6.161 5.063 4.863
4 HA ASN 1 HA ASN 1 -7.156 7.042 2.947
5 1HB ASN 1 2HB ASN 1 -6.895 7.462 5.941
6 2HB ASN 1 1HB ASN 1 -7.190 8.733 4.759
7 1HD2 ASN 1 1HD2 ASN 1 -9.215 9.395 4.980
8 2HD2 ASN 1 2HD2 ASN 1 -10.599 8.371 5.148
9 H GLY 2 H GLY 2 -5.454 8.139 2.115
10 1HA GLY 2 2HA GLY 2 -3.304 8.940 1.860
11 2HA GLY 2 1HA GLY 2 -2.980 8.489 3.528
12 H VAL 3 H VAL 3 -2.766 6.118 3.916
13 HA VAL 3 HA VAL 3 -0.889 5.020 2.024
14 HB VAL 3 HB VAL 3 -0.431 4.810 4.417
15 1HG1 VAL 3 1HG1 VAL 3 -1.989 4.292 5.901
16 2HG1 VAL 3 2HG1 VAL 3 -2.221 2.715 5.148
17 3HG1 VAL 3 3HG1 VAL 3 -3.155 4.104 4.591
18 1HG2 VAL 3 1HG2 VAL 3 0.452 3.111 2.884
19 2HG2 VAL 3 2HG2 VAL 3 -0.982 2.121 3.166
20 3HG2 VAL 3 3HG2 VAL 3 0.138 2.450 4.489
21 H CYS 4 H CYS 4 -1.250 3.400 0.612
22 HA CYS 4 HA CYS 4 -3.957 2.245 0.551
23 1HB CYS 4 2HB CYS 4 -2.114 2.803 -1.787
24 2HB CYS 4 1HB CYS 4 -3.758 2.177 -1.881
25 H CYS 5 H CYS 5 -4.089 0.095 0.685
26 HA CYS 5 HA CYS 5 -1.613 -1.466 0.477
27 1HB CYS 5 2HB CYS 5 -4.241 -2.165 1.808
28 2HB CYS 5 1HB CYS 5 -2.803 -3.179 1.794
29 H GLY 6 H GLY 6 -1.472 -3.234 -0.878
30 1HA GLY 6 2HA GLY 6 -3.838 -3.889 -2.493
31 2HA GLY 6 1HA GLY 6 -2.376 -3.375 -3.318
32 H TYR 7 H TYR 7 -0.996 -4.887 -3.904
33 HA TYR 7 HA TYR 7 -1.508 -7.635 -3.432
34 1HB TYR 7 2HB TYR 7 0.760 -6.206 -4.824
35 2HB TYR 7 1HB TYR 7 0.643 -7.958 -4.729
36 HD1 TYR 7 1HD TYR 7 -0.123 -8.961 -6.643
37 HD2 TYR 7 2HD TYR 7 -1.659 -5.128 -5.618
38 HE1 TYR 7 1HE TYR 7 -1.517 -8.982 -8.668
39 HE2 TYR 7 2HE TYR 7 -3.060 -5.143 -7.636
40 HH TYR 7 HH TYR 7 -2.877 -7.789 -9.981
41 H LYS 8 H LYS 8 -1.388 -7.232 -1.073
42 HA LYS 8 HA LYS 8 -0.477 -7.469 0.971
43 1HB LYS 8 2HB LYS 8 1.086 -9.258 1.320
44 2HB LYS 8 1HB LYS 8 -0.048 -9.743 0.073
45 1HG LYS 8 2HG LYS 8 1.567 -9.514 -1.623
46 2HG LYS 8 1HG LYS 8 2.666 -8.633 -0.562
47 1HD LYS 8 2HD LYS 8 2.811 -10.712 0.842
48 2HD LYS 8 1HD LYS 8 1.923 -11.550 -0.436
49 1HE LYS 8 2HE LYS 8 4.376 -11.828 -0.616
50 2HE LYS 8 1HE LYS 8 3.659 -11.055 -2.031
51 1HZ LYS 8 1HZ LYS 8 4.278 -8.938 -0.502
52 2HZ LYS 8 2HZ LYS 8 5.278 -9.557 -1.719
53 3HZ LYS 8 3HZ LYS 8 5.540 -9.997 -0.107
54 H LEU 9 H LEU 9 0.175 -5.162 -0.164
55 HA LEU 9 HA LEU 9 2.587 -4.464 1.245
56 1HB LEU 9 2HB LEU 9 3.463 -5.114 -0.966
57 2HB LEU 9 1HB LEU 9 2.366 -3.982 -1.733
58 HG LEU 9 HG LEU 9 3.533 -2.121 -0.565
59 1HD1 LEU 9 1HD1 LEU 9 4.546 -4.095 1.049
60 2HD1 LEU 9 2HD1 LEU 9 5.123 -2.431 0.968
61 3HD1 LEU 9 3HD1 LEU 9 5.917 -3.687 0.019
62 1HD2 LEU 9 1HD2 LEU 9 5.833 -3.170 -1.884
63 2HD2 LEU 9 2HD2 LEU 9 4.695 -1.947 -2.445
64 3HD2 LEU 9 3HD2 LEU 9 4.390 -3.652 -2.776
65 H CYS 10 H CYS 10 2.322 -2.508 2.137
66 HA CYS 10 HA CYS 10 0.084 -0.878 1.156
67 1HB CYS 10 2HB CYS 10 1.272 -1.029 3.933
68 2HB CYS 10 1HB CYS 10 -0.041 0.039 3.451
69 H HIS 11 H HIS 11 0.425 1.129 0.517
70 HA HIS 11 HA HIS 11 2.619 2.739 1.392
71 1HB HIS 11 2HB HIS 11 3.786 2.984 -0.720
72 2HB HIS 11 1HB HIS 11 3.776 1.281 -0.284
73 HD1 HIS 11 1HD HIS 11 1.838 3.658 -2.571
74 HD2 HIS 11 2HD HIS 11 2.928 -0.351 -2.272
75 HE1 HIS 11 1HE HIS 11 1.060 2.583 -4.704
76 HA HYP 12 HA HYP 12 -0.439 5.758 0.422
77 1HB HYP 12 1HB HYP 12 0.505 7.809 0.778
78 2HB HYP 12 2HB HYP 12 1.769 7.540 -0.427
79 1HD HYP 12 2HD1 HYP 12 3.468 5.268 0.521
80 2HD HYP 12 1HD1 HYP 12 2.721 4.657 2.014
81 HOD HYP 12 2HD HYP 12 1.850 7.315 3.247
82 HG HYP 12 HG HYP 12 2.989 7.315 1.600
83 H CYS 13 H CYS 13 -1.554 6.477 -1.322
84 HA CYS 13 HA CYS 13 -0.902 5.374 -3.859
85 1HB CYS 13 2HB CYS 13 -3.097 7.156 -2.851
86 2HB CYS 13 1HB CYS 13 -2.913 6.868 -4.576
87 1HN NH2 14 1H CYS 13 -0.690 8.585 -2.471
88 2HN NH2 14 2H CYS 13 0.239 9.272 -3.754
Start of MODEL 5
1 1H ASN 1 1HT ASN 1 -7.711 8.333 1.322
2 2H ASN 1 2HT ASN 1 -8.865 8.002 2.515
3 3H ASN 1 3HT ASN 1 -8.467 6.820 1.367
4 HA ASN 1 HA ASN 1 -7.162 7.498 3.827
5 1HB ASN 1 2HB ASN 1 -6.232 5.178 3.419
6 2HB ASN 1 1HB ASN 1 -7.989 5.275 3.443
7 1HD2 ASN 1 1HD2 ASN 1 -5.520 3.848 1.910
8 2HD2 ASN 1 2HD2 ASN 1 -6.216 3.638 0.339
9 H GLY 2 H GLY 2 -4.911 7.609 4.170
10 1HA GLY 2 2HA GLY 2 -3.475 8.908 2.037
11 2HA GLY 2 1HA GLY 2 -2.887 8.619 3.667
12 H VAL 3 H VAL 3 -3.198 5.861 3.791
13 HA VAL 3 HA VAL 3 -1.110 5.004 1.918
14 HB VAL 3 HB VAL 3 -1.930 3.754 4.550
15 1HG1 VAL 3 1HG1 VAL 3 -0.826 1.965 3.832
16 2HG1 VAL 3 2HG1 VAL 3 0.643 2.939 3.846
17 3HG1 VAL 3 3HG1 VAL 3 -0.309 2.799 2.368
18 1HG2 VAL 3 1HG2 VAL 3 0.446 4.582 5.163
19 2HG2 VAL 3 2HG2 VAL 3 -0.894 5.729 5.185
20 3HG2 VAL 3 3HG2 VAL 3 0.220 5.702 3.819
21 H CYS 4 H CYS 4 -1.552 3.527 0.424
22 HA CYS 4 HA CYS 4 -4.119 2.094 0.584
23 1HB CYS 4 2HB CYS 4 -2.484 3.048 -1.766
24 2HB CYS 4 1HB CYS 4 -3.724 1.815 -1.948
25 H CYS 5 H CYS 5 -4.016 -0.036 0.905
26 HA CYS 5 HA CYS 5 -1.430 -1.367 0.577
27 1HB CYS 5 2HB CYS 5 -3.930 -2.330 1.988
28 2HB CYS 5 1HB CYS 5 -2.365 -3.137 1.991
29 H GLY 6 H GLY 6 -1.070 -2.652 -1.098
30 1HA GLY 6 2HA GLY 6 -3.336 -3.372 -2.816
31 2HA GLY 6 1HA GLY 6 -1.641 -3.388 -3.280
32 H TYR 7 H TYR 7 -1.080 -5.378 -3.772
33 HA TYR 7 HA TYR 7 -2.332 -7.695 -2.672
34 1HB TYR 7 2HB TYR 7 -1.480 -7.572 -5.016
35 2HB TYR 7 1HB TYR 7 0.160 -7.520 -4.383
36 HD1 TYR 7 1HD TYR 7 1.182 -9.514 -4.987
37 HD2 TYR 7 2HD TYR 7 -2.769 -9.625 -3.412
38 HE1 TYR 7 1HE TYR 7 1.260 -11.972 -4.979
39 HE2 TYR 7 2HE TYR 7 -2.701 -12.084 -3.398
40 HH TYR 7 HH TYR 7 -0.049 -13.855 -4.843
41 H LYS 8 H LYS 8 -1.759 -6.820 -0.487
42 HA LYS 8 HA LYS 8 -0.763 -7.220 1.518
43 1HB LYS 8 2HB LYS 8 0.915 -9.145 -0.093
44 2HB LYS 8 1HB LYS 8 1.082 -8.938 1.644
45 1HG LYS 8 2HG LYS 8 -1.156 -9.721 2.011
46 2HG LYS 8 1HG LYS 8 -1.466 -9.769 0.274
47 1HD LYS 8 2HD LYS 8 -0.988 -12.000 1.231
48 2HD LYS 8 1HD LYS 8 0.170 -11.524 -0.011
49 1HE LYS 8 2HE LYS 8 1.289 -12.562 1.897
50 2HE LYS 8 1HE LYS 8 1.769 -10.877 1.712
51 1HZ LYS 8 1HZ LYS 8 1.212 -10.606 3.824
52 2HZ LYS 8 2HZ LYS 8 0.533 -12.152 3.925
53 3HZ LYS 8 3HZ LYS 8 -0.408 -10.850 3.398
54 H LEU 9 H LEU 9 -0.026 -5.040 -0.099
55 HA LEU 9 HA LEU 9 2.511 -4.409 1.145
56 1HB LEU 9 2HB LEU 9 3.405 -3.453 -1.003
57 2HB LEU 9 1HB LEU 9 3.362 -5.200 -0.914
58 HG LEU 9 HG LEU 9 0.953 -4.579 -2.122
59 1HD1 LEU 9 1HD1 LEU 9 2.956 -2.980 -3.638
60 2HD1 LEU 9 2HD1 LEU 9 2.088 -2.223 -2.304
61 3HD1 LEU 9 3HD1 LEU 9 1.195 -2.902 -3.664
62 1HD2 LEU 9 1HD2 LEU 9 2.106 -6.410 -2.919
63 2HD2 LEU 9 2HD2 LEU 9 3.619 -5.518 -3.086
64 3HD2 LEU 9 3HD2 LEU 9 2.308 -5.253 -4.235
65 H CYS 10 H CYS 10 2.038 -2.672 2.254
66 HA CYS 10 HA CYS 10 0.022 -0.812 1.299
67 1HB CYS 10 2HB CYS 10 1.543 -0.907 3.912
68 2HB CYS 10 1HB CYS 10 0.225 0.202 3.540
69 H HIS 11 H HIS 11 0.386 1.245 0.670
70 HA HIS 11 HA HIS 11 2.891 2.586 1.061
71 1HB HIS 11 2HB HIS 11 3.529 2.780 -1.290
72 2HB HIS 11 1HB HIS 11 3.491 1.084 -0.823
73 HD1 HIS 11 1HD HIS 11 1.018 -0.093 -1.489
74 HD2 HIS 11 2HD HIS 11 2.282 3.237 -3.634
75 HE1 HIS 11 1HE HIS 11 -0.297 -0.132 -3.629
76 HA HYP 12 HA HYP 12 0.297 6.135 0.785
77 1HB HYP 12 1HB HYP 12 1.764 7.843 0.734
78 2HB HYP 12 2HB HYP 12 2.022 7.601 -0.993
79 1HD HYP 12 2HD1 HYP 12 3.869 4.420 0.370
80 2HD HYP 12 1HD1 HYP 12 3.083 5.063 1.828
81 HOD HYP 12 2HD HYP 12 4.414 7.968 0.851
82 HG HYP 12 HG HYP 12 3.992 6.512 -0.615
83 H CYS 13 H CYS 13 -1.365 6.731 -0.453
84 HA CYS 13 HA CYS 13 -1.755 5.472 -2.981
85 1HB CYS 13 2HB CYS 13 -3.439 7.682 -1.802
86 2HB CYS 13 1HB CYS 13 -3.939 6.425 -2.931
87 1HN NH2 14 1H CYS 13 -1.002 6.169 -4.850
88 2HN NH2 14 2H CYS 13 -0.808 7.817 -5.326
Start of MODEL 6
1 1H ASN 1 1HT ASN 1 -6.383 5.839 0.242
2 2H ASN 1 2HT ASN 1 -7.390 6.800 -0.719
3 3H ASN 1 3HT ASN 1 -7.917 6.280 0.804
4 HA ASN 1 HA ASN 1 -6.142 8.464 0.094
5 1HB ASN 1 2HB ASN 1 -7.167 9.387 2.188
6 2HB ASN 1 1HB ASN 1 -8.354 8.917 0.976
7 1HD2 ASN 1 1HD2 ASN 1 -7.807 8.896 4.162
8 2HD2 ASN 1 2HD2 ASN 1 -8.697 7.487 4.620
9 H GLY 2 H GLY 2 -4.312 9.052 1.237
10 1HA GLY 2 2HA GLY 2 -2.477 8.798 2.599
11 2HA GLY 2 1HA GLY 2 -3.481 7.806 3.649
12 H VAL 3 H VAL 3 -2.451 5.935 3.986
13 HA VAL 3 HA VAL 3 -0.752 4.790 1.976
14 HB VAL 3 HB VAL 3 -0.533 2.907 3.648
15 1HG1 VAL 3 1HG1 VAL 3 0.363 4.921 5.374
16 2HG1 VAL 3 2HG1 VAL 3 0.458 5.597 3.748
17 3HG1 VAL 3 3HG1 VAL 3 1.287 4.087 4.125
18 1HG2 VAL 3 1HG2 VAL 3 -1.476 3.004 5.760
19 2HG2 VAL 3 2HG2 VAL 3 -2.790 3.590 4.739
20 3HG2 VAL 3 3HG2 VAL 3 -1.800 4.734 5.646
21 H CYS 4 H CYS 4 -1.391 3.487 0.430
22 HA CYS 4 HA CYS 4 -3.993 2.146 0.688
23 1HB CYS 4 2HB CYS 4 -2.464 2.825 -1.835
24 2HB CYS 4 1HB CYS 4 -4.103 2.191 -1.739
25 H CYS 5 H CYS 5 -3.921 0.010 0.972
26 HA CYS 5 HA CYS 5 -1.431 -1.406 0.617
27 1HB CYS 5 2HB CYS 5 -4.125 -2.442 1.523
28 2HB CYS 5 1HB CYS 5 -2.582 -3.279 1.671
29 H GLY 6 H GLY 6 -0.854 -2.448 -1.152
30 1HA GLY 6 2HA GLY 6 -2.884 -2.958 -3.212
31 2HA GLY 6 1HA GLY 6 -1.152 -2.850 -3.482
32 H TYR 7 H TYR 7 -0.463 -4.738 -4.190
33 HA TYR 7 HA TYR 7 -1.723 -7.203 -3.517
34 1HB TYR 7 2HB TYR 7 -0.714 -6.776 -5.759
35 2HB TYR 7 1HB TYR 7 0.879 -6.799 -5.006
36 HD1 TYR 7 1HD TYR 7 -2.183 -8.942 -4.845
37 HD2 TYR 7 2HD TYR 7 2.035 -8.767 -5.375
38 HE1 TYR 7 1HE TYR 7 -2.111 -11.390 -5.027
39 HE2 TYR 7 2HE TYR 7 2.117 -11.218 -5.565
40 HH TYR 7 HH TYR 7 0.265 -13.084 -6.290
41 H LYS 8 H LYS 8 -1.365 -6.732 -1.210
42 HA LYS 8 HA LYS 8 -0.551 -7.523 0.765
43 1HB LYS 8 2HB LYS 8 1.409 -8.951 -1.022
44 2HB LYS 8 1HB LYS 8 1.525 -9.026 0.726
45 1HG LYS 8 2HG LYS 8 0.417 -10.988 0.008
46 2HG LYS 8 1HG LYS 8 -0.802 -9.956 0.752
47 1HD LYS 8 2HD LYS 8 -1.769 -9.418 -1.303
48 2HD LYS 8 1HD LYS 8 -0.338 -9.907 -2.210
49 1HE LYS 8 2HE LYS 8 -2.072 -11.820 -0.658
50 2HE LYS 8 1HE LYS 8 -2.294 -11.472 -2.372
51 1HZ LYS 8 1HZ LYS 8 0.400 -12.213 -1.592
52 2HZ LYS 8 2HZ LYS 8 -0.507 -12.690 -2.939
53 3HZ LYS 8 3HZ LYS 8 -0.755 -13.442 -1.444
54 H LEU 9 H LEU 9 0.221 -4.969 -0.329
55 HA LEU 9 HA LEU 9 2.308 -4.395 1.538
56 1HB LEU 9 2HB LEU 9 3.985 -3.549 0.118
57 2HB LEU 9 1HB LEU 9 3.577 -5.127 -0.517
58 HG LEU 9 HG LEU 9 2.453 -2.587 -1.691
59 1HD1 LEU 9 1HD1 LEU 9 4.482 -3.688 -3.334
60 2HD1 LEU 9 2HD1 LEU 9 5.160 -3.450 -1.723
61 3HD1 LEU 9 3HD1 LEU 9 4.422 -2.095 -2.579
62 1HD2 LEU 9 1HD2 LEU 9 1.840 -5.252 -2.112
63 2HD2 LEU 9 2HD2 LEU 9 2.934 -4.852 -3.437
64 3HD2 LEU 9 3HD2 LEU 9 1.465 -3.908 -3.189
65 H CYS 10 H CYS 10 1.773 -2.575 2.475
66 HA CYS 10 HA CYS 10 -0.168 -0.838 1.191
67 1HB CYS 10 2HB CYS 10 0.975 -0.688 3.988
68 2HB CYS 10 1HB CYS 10 -0.438 0.172 3.382
69 H HIS 11 H HIS 11 0.229 1.150 0.440
70 HA HIS 11 HA HIS 11 2.580 2.642 1.190
71 1HB HIS 11 2HB HIS 11 3.460 2.828 -1.131
72 2HB HIS 11 1HB HIS 11 3.591 1.197 -0.487
73 HD1 HIS 11 1HD HIS 11 1.190 3.159 -2.724
74 HD2 HIS 11 2HD HIS 11 2.671 -0.691 -2.187
75 HE1 HIS 11 1HE HIS 11 0.222 1.795 -4.601
76 HA HYP 12 HA HYP 12 -0.228 5.964 0.514
77 1HB HYP 12 1HB HYP 12 1.057 7.762 0.950
78 2HB HYP 12 2HB HYP 12 1.791 7.662 -0.650
79 1HD HYP 12 2HD1 HYP 12 3.459 4.510 0.934
80 2HD HYP 12 1HD1 HYP 12 2.282 4.958 2.187
81 HOD HYP 12 2HD HYP 12 3.891 7.750 1.884
82 HG HYP 12 HG HYP 12 3.669 6.692 0.206
83 H CYS 13 H CYS 13 -1.546 6.587 -1.079
84 HA CYS 13 HA CYS 13 -1.219 5.524 -3.697
85 1HB CYS 13 2HB CYS 13 -3.261 7.208 -2.320
86 2HB CYS 13 1HB CYS 13 -3.256 7.193 -4.077
87 1HN NH2 14 1H CYS 13 -0.216 7.481 -5.819
88 2HN NH2 14 2H CYS 13 0.897 6.860 -4.653
Start of MODEL 7
1 1H ASN 1 1HT ASN 1 -0.557 9.717 8.341
2 2H ASN 1 2HT ASN 1 0.546 8.998 7.275
3 3H ASN 1 3HT ASN 1 -0.665 8.063 7.998
4 HA ASN 1 HA ASN 1 -2.128 9.958 6.789
5 1HB ASN 1 2HB ASN 1 -1.198 10.142 4.499
6 2HB ASN 1 1HB ASN 1 -0.126 10.870 5.693
7 1HD2 ASN 1 1HD2 ASN 1 -0.177 8.989 3.025
8 2HD2 ASN 1 2HD2 ASN 1 1.290 8.098 3.258
9 H GLY 2 H GLY 2 -3.279 8.999 4.821
10 1HA GLY 2 2HA GLY 2 -3.868 6.259 5.379
11 2HA GLY 2 1HA GLY 2 -4.540 7.224 4.068
12 H VAL 3 H VAL 3 -2.911 4.503 4.587
13 HA VAL 3 HA VAL 3 -1.093 4.826 2.323
14 HB VAL 3 HB VAL 3 -0.210 2.581 3.098
15 1HG1 VAL 3 1HG1 VAL 3 1.170 3.558 4.830
16 2HG1 VAL 3 2HG1 VAL 3 0.007 4.865 5.051
17 3HG1 VAL 3 3HG1 VAL 3 0.909 4.733 3.541
18 1HG2 VAL 3 1HG2 VAL 3 -0.642 2.120 5.546
19 2HG2 VAL 3 2HG2 VAL 3 -1.966 1.744 4.443
20 3HG2 VAL 3 3HG2 VAL 3 -2.017 3.216 5.414
21 H CYS 4 H CYS 4 -1.474 3.859 0.437
22 HA CYS 4 HA CYS 4 -3.931 2.390 0.091
23 1HB CYS 4 2HB CYS 4 -1.785 3.110 -1.929
24 2HB CYS 4 1HB CYS 4 -3.386 2.477 -2.303
25 H CYS 5 H CYS 5 -3.769 0.380 0.965
26 HA CYS 5 HA CYS 5 -1.403 -1.220 0.628
27 1HB CYS 5 2HB CYS 5 -4.109 -2.027 1.715
28 2HB CYS 5 1HB CYS 5 -2.595 -2.904 1.916
29 H GLY 6 H GLY 6 -0.953 -2.372 -1.110
30 1HA GLY 6 2HA GLY 6 -3.126 -3.030 -2.975
31 2HA GLY 6 1HA GLY 6 -1.415 -2.972 -3.369
32 H TYR 7 H TYR 7 -0.652 -4.886 -3.833
33 HA TYR 7 HA TYR 7 -1.920 -7.317 -3.065
34 1HB TYR 7 2HB TYR 7 -0.822 -7.066 -5.256
35 2HB TYR 7 1HB TYR 7 0.732 -6.865 -4.456
36 HD1 TYR 7 1HD TYR 7 2.029 -8.706 -4.995
37 HD2 TYR 7 2HD TYR 7 -2.030 -9.319 -3.872
38 HE1 TYR 7 1HE TYR 7 2.390 -11.138 -5.041
39 HE2 TYR 7 2HE TYR 7 -1.680 -11.753 -3.916
40 HH TYR 7 HH TYR 7 0.275 -13.310 -5.338
41 H LYS 8 H LYS 8 -1.687 -6.629 -0.757
42 HA LYS 8 HA LYS 8 -0.914 -7.113 1.331
43 1HB LYS 8 2HB LYS 8 -0.571 -9.384 0.304
44 2HB LYS 8 1HB LYS 8 1.087 -8.921 -0.039
45 1HG LYS 8 2HG LYS 8 1.358 -8.535 2.445
46 2HG LYS 8 1HG LYS 8 -0.203 -9.336 2.640
47 1HD LYS 8 2HD LYS 8 1.641 -10.914 2.934
48 2HD LYS 8 1HD LYS 8 0.671 -11.324 1.516
49 1HE LYS 8 2HE LYS 8 2.333 -10.144 0.101
50 2HE LYS 8 1HE LYS 8 3.323 -9.885 1.536
51 1HZ LYS 8 1HZ LYS 8 4.249 -11.781 0.728
52 2HZ LYS 8 2HZ LYS 8 2.808 -12.356 0.055
53 3HZ LYS 8 3HZ LYS 8 3.066 -12.469 1.723
54 H LEU 9 H LEU 9 -0.040 -4.837 0.120
55 HA LEU 9 HA LEU 9 2.339 -4.267 1.614
56 1HB LEU 9 2HB LEU 9 3.304 -5.173 -0.467
57 2HB LEU 9 1HB LEU 9 2.388 -4.003 -1.399
58 HG LEU 9 HG LEU 9 3.649 -2.177 -0.288
59 1HD1 LEU 9 1HD1 LEU 9 5.684 -4.103 0.672
60 2HD1 LEU 9 2HD1 LEU 9 4.237 -3.887 1.657
61 3HD1 LEU 9 3HD1 LEU 9 5.260 -2.502 1.278
62 1HD2 LEU 9 1HD2 LEU 9 4.937 -4.266 -1.966
63 2HD2 LEU 9 2HD2 LEU 9 5.940 -2.962 -1.330
64 3HD2 LEU 9 3HD2 LEU 9 4.549 -2.589 -2.347
65 H CYS 10 H CYS 10 1.784 -2.433 2.568
66 HA CYS 10 HA CYS 10 -0.151 -0.679 1.315
67 1HB CYS 10 2HB CYS 10 1.154 -0.533 4.038
68 2HB CYS 10 1HB CYS 10 -0.166 0.489 3.479
69 H HIS 11 H HIS 11 0.316 1.106 0.264
70 HA HIS 11 HA HIS 11 2.737 2.615 0.839
71 1HB HIS 11 2HB HIS 11 3.475 0.981 -0.853
72 2HB HIS 11 1HB HIS 11 2.148 1.457 -1.904
73 HD1 HIS 11 1HD HIS 11 5.175 3.112 -0.278
74 HD2 HIS 11 2HD HIS 11 2.880 3.298 -3.738
75 HE1 HIS 11 1HE HIS 11 6.281 4.843 -1.728
76 HA HYP 12 HA HYP 12 -0.355 5.758 0.213
77 1HB HYP 12 1HB HYP 12 0.679 7.580 1.040
78 2HB HYP 12 2HB HYP 12 1.721 7.679 -0.378
79 1HD HYP 12 2HD1 HYP 12 3.279 4.474 1.171
80 2HD HYP 12 1HD1 HYP 12 1.845 4.683 2.196
81 HOD HYP 12 2HD HYP 12 3.415 7.165 2.735
82 HG HYP 12 HG HYP 12 3.453 6.746 0.778
83 H CYS 13 H CYS 13 -1.427 6.432 -1.531
84 HA CYS 13 HA CYS 13 -0.627 5.660 -4.112
85 1HB CYS 13 2HB CYS 13 -2.842 7.443 -3.112
86 2HB CYS 13 1HB CYS 13 -2.604 7.120 -4.823
87 1HN NH2 14 1H CYS 13 0.651 7.893 -5.904
88 2HN NH2 14 2H CYS 13 1.512 6.954 -4.737
Start of MODEL 8
1 1H ASN 1 1HT ASN 1 -0.369 9.681 7.041
2 2H ASN 1 2HT ASN 1 -1.684 8.842 7.697
3 3H ASN 1 3HT ASN 1 -1.592 10.526 7.854
4 HA ASN 1 HA ASN 1 -2.917 10.604 6.074
5 1HB ASN 1 2HB ASN 1 -1.701 10.509 3.943
6 2HB ASN 1 1HB ASN 1 -0.695 11.267 5.175
7 1HD2 ASN 1 1HD2 ASN 1 -0.721 9.036 2.745
8 2HD2 ASN 1 2HD2 ASN 1 0.647 8.086 3.216
9 H GLY 2 H GLY 2 -3.743 9.384 4.033
10 1HA GLY 2 2HA GLY 2 -4.488 6.736 4.885
11 2HA GLY 2 1HA GLY 2 -4.998 7.542 3.404
12 H VAL 3 H VAL 3 -3.355 4.956 4.493
13 HA VAL 3 HA VAL 3 -1.294 5.026 2.420
14 HB VAL 3 HB VAL 3 -1.728 2.907 4.531
15 1HG1 VAL 3 1HG1 VAL 3 0.853 3.518 3.151
16 2HG1 VAL 3 2HG1 VAL 3 -0.353 2.491 2.375
17 3HG1 VAL 3 3HG1 VAL 3 0.327 2.028 3.935
18 1HG2 VAL 3 1HG2 VAL 3 0.086 3.990 5.779
19 2HG2 VAL 3 2HG2 VAL 3 -1.315 5.048 5.611
20 3HG2 VAL 3 3HG2 VAL 3 0.107 5.302 4.599
21 H CYS 4 H CYS 4 -1.551 3.983 0.553
22 HA CYS 4 HA CYS 4 -3.948 2.434 0.119
23 1HB CYS 4 2HB CYS 4 -1.715 3.187 -1.792
24 2HB CYS 4 1HB CYS 4 -3.249 2.445 -2.245
25 H CYS 5 H CYS 5 -3.981 0.342 0.619
26 HA CYS 5 HA CYS 5 -1.488 -1.190 0.463
27 1HB CYS 5 2HB CYS 5 -4.096 -1.878 1.834
28 2HB CYS 5 1HB CYS 5 -2.626 -2.845 1.883
29 H GLY 6 H GLY 6 -1.230 -2.856 -0.919
30 1HA GLY 6 2HA GLY 6 -3.537 -3.505 -2.652
31 2HA GLY 6 1HA GLY 6 -1.891 -3.376 -3.248
32 H TYR 7 H TYR 7 -1.072 -5.270 -3.716
33 HA TYR 7 HA TYR 7 -2.125 -7.716 -2.747
34 1HB TYR 7 2HB TYR 7 -1.263 -7.517 -5.037
35 2HB TYR 7 1HB TYR 7 0.354 -7.211 -4.409
36 HD1 TYR 7 1HD TYR 7 1.741 -9.017 -4.791
37 HD2 TYR 7 2HD TYR 7 -2.286 -9.748 -3.625
38 HE1 TYR 7 1HE TYR 7 2.207 -11.430 -4.711
39 HE2 TYR 7 2HE TYR 7 -1.831 -12.161 -3.546
40 HH TYR 7 HH TYR 7 0.350 -13.686 -4.923
41 H LYS 8 H LYS 8 -1.721 -7.034 -0.490
42 HA LYS 8 HA LYS 8 -0.743 -7.476 1.523
43 1HB LYS 8 2HB LYS 8 1.122 -9.214 -0.110
44 2HB LYS 8 1HB LYS 8 1.019 -9.214 1.644
45 1HG LYS 8 2HG LYS 8 -0.734 -10.581 1.636
46 2HG LYS 8 1HG LYS 8 -1.568 -9.634 0.403
47 1HD LYS 8 2HD LYS 8 -1.114 -11.924 -0.355
48 2HD LYS 8 1HD LYS 8 -0.275 -10.729 -1.343
49 1HE LYS 8 2HE LYS 8 1.777 -11.140 -0.027
50 2HE LYS 8 1HE LYS 8 0.923 -12.398 0.865
51 1HZ LYS 8 1HZ LYS 8 2.304 -12.680 -1.509
52 2HZ LYS 8 2HZ LYS 8 0.672 -12.817 -1.932
53 3HZ LYS 8 3HZ LYS 8 1.329 -13.838 -0.754
54 H LEU 9 H LEU 9 -0.046 -5.152 0.232
55 HA LEU 9 HA LEU 9 2.387 -4.500 1.588
56 1HB LEU 9 2HB LEU 9 3.481 -3.530 -0.452
57 2HB LEU 9 1HB LEU 9 3.451 -5.279 -0.391
58 HG LEU 9 HG LEU 9 1.248 -4.904 -1.858
59 1HD1 LEU 9 1HD1 LEU 9 1.768 -2.359 -1.668
60 2HD1 LEU 9 2HD1 LEU 9 1.234 -3.040 -3.205
61 3HD1 LEU 9 3HD1 LEU 9 2.944 -2.700 -2.937
62 1HD2 LEU 9 1HD2 LEU 9 3.110 -4.800 -3.827
63 2HD2 LEU 9 2HD2 LEU 9 2.671 -6.259 -2.940
64 3HD2 LEU 9 3HD2 LEU 9 4.088 -5.328 -2.458
65 H CYS 10 H CYS 10 2.368 -2.388 2.204
66 HA CYS 10 HA CYS 10 0.132 -0.791 1.167
67 1HB CYS 10 2HB CYS 10 1.424 -0.745 3.898
68 2HB CYS 10 1HB CYS 10 0.168 0.369 3.367
69 H HIS 11 H HIS 11 0.486 1.139 0.328
70 HA HIS 11 HA HIS 11 2.878 2.673 0.851
71 1HB HIS 11 2HB HIS 11 3.686 1.082 -0.855
72 2HB HIS 11 1HB HIS 11 2.348 1.523 -1.907
73 HD1 HIS 11 1HD HIS 11 5.319 3.254 -0.257
74 HD2 HIS 11 2HD HIS 11 3.013 3.419 -3.712
75 HE1 HIS 11 1HE HIS 11 6.370 5.037 -1.685
76 HA HYP 12 HA HYP 12 -0.377 5.675 0.249
77 1HB HYP 12 1HB HYP 12 0.507 7.653 0.928
78 2HB HYP 12 2HB HYP 12 1.792 7.589 -0.276
79 1HD HYP 12 2HD1 HYP 12 3.509 4.998 0.731
80 2HD HYP 12 1HD1 HYP 12 2.455 4.435 2.041
81 HOD HYP 12 2HD HYP 12 2.335 6.550 3.427
82 HG HYP 12 HG HYP 12 3.089 7.106 1.590
83 H CYS 13 H CYS 13 -1.426 6.414 -1.496
84 HA CYS 13 HA CYS 13 -0.552 5.687 -4.074
85 1HB CYS 13 2HB CYS 13 -2.846 7.390 -3.110
86 2HB CYS 13 1HB CYS 13 -2.554 7.088 -4.818
87 1HN NH2 14 1H CYS 13 0.741 7.892 -5.780
88 2HN NH2 14 2H CYS 13 1.629 7.141 -4.504
Start of MODEL 9
1 1H ASN 1 1HT ASN 1 -8.270 9.298 1.537
2 2H ASN 1 2HT ASN 1 -8.380 8.099 0.350
3 3H ASN 1 3HT ASN 1 -7.041 9.135 0.387
4 HA ASN 1 HA ASN 1 -7.405 7.773 2.862
5 1HB ASN 1 2HB ASN 1 -8.316 6.046 1.355
6 2HB ASN 1 1HB ASN 1 -6.869 6.152 0.356
7 1HD2 ASN 1 1HD2 ASN 1 -5.792 4.328 0.637
8 2HD2 ASN 1 2HD2 ASN 1 -5.395 3.618 2.167
9 H GLY 2 H GLY 2 -5.344 7.371 3.767
10 1HA GLY 2 2HA GLY 2 -3.245 8.962 2.576
11 2HA GLY 2 1HA GLY 2 -3.202 8.191 4.150
12 H VAL 3 H VAL 3 -3.263 5.655 3.886
13 HA VAL 3 HA VAL 3 -1.139 4.998 1.957
14 HB VAL 3 HB VAL 3 -1.775 3.587 4.556
15 1HG1 VAL 3 1HG1 VAL 3 -0.596 1.932 3.638
16 2HG1 VAL 3 2HG1 VAL 3 0.811 2.980 3.815
17 3HG1 VAL 3 3HG1 VAL 3 -0.074 2.942 2.290
18 1HG2 VAL 3 1HG2 VAL 3 0.429 4.580 5.280
19 2HG2 VAL 3 2HG2 VAL 3 -0.911 5.717 5.136
20 3HG2 VAL 3 3HG2 VAL 3 0.318 5.639 3.874
21 H CYS 4 H CYS 4 -1.694 3.723 0.343
22 HA CYS 4 HA CYS 4 -4.152 2.146 0.541
23 1HB CYS 4 2HB CYS 4 -2.525 3.126 -1.808
24 2HB CYS 4 1HB CYS 4 -3.822 1.951 -1.984
25 H CYS 5 H CYS 5 -3.996 0.037 0.921
26 HA CYS 5 HA CYS 5 -1.422 -1.284 0.565
27 1HB CYS 5 2HB CYS 5 -3.951 -2.318 1.866
28 2HB CYS 5 1HB CYS 5 -2.368 -3.087 1.912
29 H GLY 6 H GLY 6 -1.004 -2.573 -1.096
30 1HA GLY 6 2HA GLY 6 -3.222 -3.273 -2.892
31 2HA GLY 6 1HA GLY 6 -1.525 -3.204 -3.337
32 H TYR 7 H TYR 7 -0.839 -5.132 -3.869
33 HA TYR 7 HA TYR 7 -2.037 -7.548 -2.965
34 1HB TYR 7 2HB TYR 7 -1.109 -7.310 -5.242
35 2HB TYR 7 1HB TYR 7 0.504 -7.141 -4.558
36 HD1 TYR 7 1HD TYR 7 -2.266 -9.521 -3.764
37 HD2 TYR 7 2HD TYR 7 1.719 -9.019 -5.169
38 HE1 TYR 7 1HE TYR 7 -1.981 -11.962 -3.809
39 HE2 TYR 7 2HE TYR 7 2.013 -11.460 -5.222
40 HH TYR 7 HH TYR 7 -0.061 -13.565 -5.397
41 H LYS 8 H LYS 8 -1.623 -6.841 -0.696
42 HA LYS 8 HA LYS 8 -0.712 -7.361 1.328
43 1HB LYS 8 2HB LYS 8 1.089 -9.124 -0.335
44 2HB LYS 8 1HB LYS 8 1.116 -9.081 1.420
45 1HG LYS 8 2HG LYS 8 -1.029 -10.018 1.583
46 2HG LYS 8 1HG LYS 8 -1.381 -9.713 -0.117
47 1HD LYS 8 2HD LYS 8 -0.912 -12.089 0.327
48 2HD LYS 8 1HD LYS 8 0.253 -11.377 -0.787
49 1HE LYS 8 2HE LYS 8 0.825 -11.526 2.153
50 2HE LYS 8 1HE LYS 8 1.102 -12.918 1.110
51 1HZ LYS 8 1HZ LYS 8 2.509 -10.348 1.197
52 2HZ LYS 8 2HZ LYS 8 2.383 -11.130 -0.298
53 3HZ LYS 8 3HZ LYS 8 3.128 -11.911 1.005
54 H LEU 9 H LEU 9 0.051 -5.033 0.047
55 HA LEU 9 HA LEU 9 2.439 -4.416 1.492
56 1HB LEU 9 2HB LEU 9 3.650 -3.485 -0.490
57 2HB LEU 9 1HB LEU 9 3.564 -5.232 -0.442
58 HG LEU 9 HG LEU 9 1.397 -4.653 -1.990
59 1HD1 LEU 9 1HD1 LEU 9 3.502 -2.728 -2.927
60 2HD1 LEU 9 2HD1 LEU 9 2.150 -2.223 -1.913
61 3HD1 LEU 9 3HD1 LEU 9 1.847 -2.920 -3.504
62 1HD2 LEU 9 1HD2 LEU 9 2.758 -6.318 -2.766
63 2HD2 LEU 9 2HD2 LEU 9 4.229 -5.370 -2.553
64 3HD2 LEU 9 3HD2 LEU 9 3.152 -5.033 -3.909
65 H CYS 10 H CYS 10 2.082 -2.501 2.368
66 HA CYS 10 HA CYS 10 0.009 -0.813 1.209
67 1HB CYS 10 2HB CYS 10 1.389 -0.638 3.893
68 2HB CYS 10 1HB CYS 10 0.016 0.337 3.375
69 H HIS 11 H HIS 11 0.401 1.005 0.183
70 HA HIS 11 HA HIS 11 2.968 2.398 0.553
71 1HB HIS 11 2HB HIS 11 1.747 1.458 -2.041
72 2HB HIS 11 1HB HIS 11 2.791 2.870 -2.003
73 HD1 HIS 11 1HD HIS 11 3.822 0.743 -3.712
74 HD2 HIS 11 2HD HIS 11 4.547 0.732 0.381
75 HE1 HIS 11 1HE HIS 11 5.871 -0.679 -3.395
76 HA HYP 12 HA HYP 12 0.297 5.904 0.987
77 1HB HYP 12 1HB HYP 12 1.692 7.676 1.175
78 2HB HYP 12 2HB HYP 12 2.108 7.598 -0.539
79 1HD HYP 12 2HD1 HYP 12 3.637 4.962 -0.860
80 2HD HYP 12 1HD1 HYP 12 3.791 4.274 0.772
81 HOD HYP 12 2HD HYP 12 4.049 6.953 2.383
82 HG HYP 12 HG HYP 12 4.160 6.914 0.363
83 H CYS 13 H CYS 13 -1.364 6.652 -0.155
84 HA CYS 13 HA CYS 13 -1.732 5.826 -2.848
85 1HB CYS 13 2HB CYS 13 -3.423 7.862 -1.415
86 2HB CYS 13 1HB CYS 13 -3.913 6.728 -2.663
87 1HN NH2 14 1H CYS 13 -1.534 9.074 -1.413
88 2HN NH2 14 2H CYS 13 -0.566 9.705 -2.696
Start of MODEL 10
1 1H ASN 1 1HT ASN 1 -8.412 6.294 0.325
2 2H ASN 1 2HT ASN 1 -6.976 5.600 0.893
3 3H ASN 1 3HT ASN 1 -7.048 6.227 -0.677
4 HA ASN 1 HA ASN 1 -6.660 8.308 -0.018
5 1HB ASN 1 2HB ASN 1 -8.993 8.235 1.019
6 2HB ASN 1 1HB ASN 1 -8.214 7.786 2.532
7 1HD2 ASN 1 1HD2 ASN 1 -9.608 10.275 1.124
8 2HD2 ASN 1 2HD2 ASN 1 -8.675 11.584 1.756
9 H GLY 2 H GLY 2 -4.812 9.099 0.975
10 1HA GLY 2 2HA GLY 2 -2.923 9.099 2.290
11 2HA GLY 2 1HA GLY 2 -3.816 8.124 3.451
12 H VAL 3 H VAL 3 -2.910 6.225 3.836
13 HA VAL 3 HA VAL 3 -0.988 5.102 2.009
14 HB VAL 3 HB VAL 3 -0.581 4.932 4.412
15 1HG1 VAL 3 1HG1 VAL 3 -3.306 4.213 4.539
16 2HG1 VAL 3 2HG1 VAL 3 -2.172 4.441 5.871
17 3HG1 VAL 3 3HG1 VAL 3 -2.375 2.845 5.148
18 1HG2 VAL 3 1HG2 VAL 3 -1.057 2.279 3.065
19 2HG2 VAL 3 2HG2 VAL 3 -0.132 2.492 4.551
20 3HG2 VAL 3 3HG2 VAL 3 0.426 3.234 3.051
21 H CYS 4 H CYS 4 -1.306 3.448 0.610
22 HA CYS 4 HA CYS 4 -3.976 2.215 0.587
23 1HB CYS 4 2HB CYS 4 -2.267 3.008 -1.788
24 2HB CYS 4 1HB CYS 4 -3.832 2.201 -1.876
25 H CYS 5 H CYS 5 -3.861 0.107 1.008
26 HA CYS 5 HA CYS 5 -1.351 -1.303 0.621
27 1HB CYS 5 2HB CYS 5 -3.950 -2.277 1.826
28 2HB CYS 5 1HB CYS 5 -2.403 -3.117 1.879
29 H GLY 6 H GLY 6 -0.919 -2.429 -1.138
30 1HA GLY 6 2HA GLY 6 -3.099 -3.047 -2.995
31 2HA GLY 6 1HA GLY 6 -1.384 -3.043 -3.375
32 H TYR 7 H TYR 7 -0.794 -4.993 -3.953
33 HA TYR 7 HA TYR 7 -2.113 -7.370 -3.094
34 1HB TYR 7 2HB TYR 7 -1.131 -7.078 -5.373
35 2HB TYR 7 1HB TYR 7 0.472 -7.106 -4.648
36 HD1 TYR 7 1HD TYR 7 -2.540 -9.221 -4.001
37 HD2 TYR 7 2HD TYR 7 1.496 -9.069 -5.340
38 HE1 TYR 7 1HE TYR 7 -2.508 -11.673 -4.164
39 HE2 TYR 7 2HE TYR 7 1.538 -11.521 -5.510
40 HH TYR 7 HH TYR 7 0.094 -13.382 -5.674
41 H LYS 8 H LYS 8 -1.667 -6.704 -0.819
42 HA LYS 8 HA LYS 8 -0.782 -7.273 1.199
43 1HB LYS 8 2HB LYS 8 0.944 -9.096 -0.478
44 2HB LYS 8 1HB LYS 8 1.021 -9.040 1.276
45 1HG LYS 8 2HG LYS 8 -1.243 -9.801 1.461
46 2HG LYS 8 1HG LYS 8 -1.469 -9.686 -0.286
47 1HD LYS 8 2HD LYS 8 -1.083 -12.005 0.490
48 2HD LYS 8 1HD LYS 8 0.138 -11.449 -0.655
49 1HE LYS 8 2HE LYS 8 1.152 -12.678 1.196
50 2HE LYS 8 1HE LYS 8 1.672 -10.995 1.186
51 1HZ LYS 8 1HZ LYS 8 0.397 -12.424 3.243
52 2HZ LYS 8 2HZ LYS 8 -0.610 -11.150 2.771
53 3HZ LYS 8 3HZ LYS 8 0.977 -10.835 3.265
54 H LEU 9 H LEU 9 0.091 -4.991 -0.193
55 HA LEU 9 HA LEU 9 2.533 -4.469 1.266
56 1HB LEU 9 2HB LEU 9 3.113 -5.338 -1.095
57 2HB LEU 9 1HB LEU 9 2.458 -3.823 -1.679
58 HG LEU 9 HG LEU 9 4.969 -3.931 -1.459
59 1HD1 LEU 9 1HD1 LEU 9 4.801 -1.727 -1.495
60 2HD1 LEU 9 2HD1 LEU 9 4.578 -1.710 0.255
61 3HD1 LEU 9 3HD1 LEU 9 3.179 -1.831 -0.813
62 1HD2 LEU 9 1HD2 LEU 9 5.034 -5.174 0.653
63 2HD2 LEU 9 2HD2 LEU 9 4.351 -3.778 1.486
64 3HD2 LEU 9 3HD2 LEU 9 5.947 -3.668 0.741
65 H CYS 10 H CYS 10 1.997 -2.699 2.353
66 HA CYS 10 HA CYS 10 -0.009 -0.898 1.294
67 1HB CYS 10 2HB CYS 10 1.430 -0.904 3.954
68 2HB CYS 10 1HB CYS 10 0.102 0.168 3.518
69 H HIS 11 H HIS 11 0.360 0.979 0.378
70 HA HIS 11 HA HIS 11 2.798 2.480 0.876
71 1HB HIS 11 2HB HIS 11 3.386 0.912 -0.978
72 2HB HIS 11 1HB HIS 11 2.047 1.555 -1.916
73 HD1 HIS 11 1HD HIS 11 2.306 4.327 -2.329
74 HD2 HIS 11 2HD HIS 11 5.733 2.095 -1.543
75 HE1 HIS 11 1HE HIS 11 4.227 5.721 -3.153
76 HA HYP 12 HA HYP 12 -0.405 5.570 0.696
77 1HB HYP 12 1HB HYP 12 0.593 7.523 1.320
78 2HB HYP 12 2HB HYP 12 1.797 7.425 0.034
79 1HD HYP 12 2HD1 HYP 12 3.492 4.943 0.629
80 2HD HYP 12 1HD1 HYP 12 2.710 4.180 2.029
81 HOD HYP 12 2HD HYP 12 2.120 6.662 3.632
82 HG HYP 12 HG HYP 12 3.118 6.870 1.920
83 H CYS 13 H CYS 13 -1.604 6.438 -0.865
84 HA CYS 13 HA CYS 13 -1.037 5.807 -3.573
85 1HB CYS 13 2HB CYS 13 -3.242 7.250 -2.155
86 2HB CYS 13 1HB CYS 13 -3.122 7.383 -3.903
87 1HN NH2 14 1H CYS 13 -0.777 8.712 -1.650
88 2HN NH2 14 2H CYS 13 -0.110 9.721 -2.882
Start of MODEL 11
1 1H ASN 1 1HT ASN 1 -5.678 10.809 5.470
2 2H ASN 1 2HT ASN 1 -4.434 11.137 6.570
3 3H ASN 1 3HT ASN 1 -5.815 10.303 7.079
4 HA ASN 1 HA ASN 1 -3.474 9.181 6.246
5 1HB ASN 1 2HB ASN 1 -5.424 8.304 7.676
6 2HB ASN 1 1HB ASN 1 -6.187 7.838 6.161
7 1HD2 ASN 1 1HD2 ASN 1 -4.641 6.567 8.634
8 2HD2 ASN 1 2HD2 ASN 1 -3.768 5.289 7.864
9 H GLY 2 H GLY 2 -2.892 7.892 4.420
10 1HA GLY 2 2HA GLY 2 -4.578 7.798 2.094
11 2HA GLY 2 1HA GLY 2 -3.253 8.943 1.936
12 H VAL 3 H VAL 3 -3.362 5.807 3.559
13 HA VAL 3 HA VAL 3 -1.105 4.964 1.876
14 HB VAL 3 HB VAL 3 -1.974 3.840 4.548
15 1HG1 VAL 3 1HG1 VAL 3 -0.563 2.162 4.196
16 2HG1 VAL 3 2HG1 VAL 3 0.743 3.287 3.823
17 3HG1 VAL 3 3HG1 VAL 3 -0.341 2.738 2.544
18 1HG2 VAL 3 1HG2 VAL 3 -0.986 5.638 5.421
19 2HG2 VAL 3 2HG2 VAL 3 -0.341 6.138 3.857
20 3HG2 VAL 3 3HG2 VAL 3 0.537 4.964 4.839
21 H CYS 4 H CYS 4 -1.829 3.851 0.194
22 HA CYS 4 HA CYS 4 -4.167 2.152 0.382
23 1HB CYS 4 2HB CYS 4 -2.302 2.888 -1.878
24 2HB CYS 4 1HB CYS 4 -3.555 1.669 -2.060
25 H CYS 5 H CYS 5 -4.129 -0.074 0.495
26 HA CYS 5 HA CYS 5 -1.505 -1.360 0.274
27 1HB CYS 5 2HB CYS 5 -2.169 -0.846 2.697
28 2HB CYS 5 1HB CYS 5 -3.415 -2.075 2.493
29 H GLY 6 H GLY 6 -1.542 -3.109 -0.934
30 1HA GLY 6 2HA GLY 6 -4.158 -4.209 -1.699
31 2HA GLY 6 1HA GLY 6 -2.667 -4.380 -2.614
32 H TYR 7 H TYR 7 -2.274 -6.480 -2.717
33 HA TYR 7 HA TYR 7 -2.907 -8.312 -0.613
34 1HB TYR 7 2HB TYR 7 -1.427 -8.645 -3.227
35 2HB TYR 7 1HB TYR 7 -1.693 -9.969 -2.099
36 HD1 TYR 7 1HD TYR 7 -3.799 -7.257 -3.622
37 HD2 TYR 7 2HD TYR 7 -3.378 -11.394 -2.718
38 HE1 TYR 7 1HE TYR 7 -5.986 -7.698 -4.651
39 HE2 TYR 7 2HE TYR 7 -5.565 -11.846 -3.746
40 HH TYR 7 HH TYR 7 -7.188 -10.975 -5.082
41 H LYS 8 H LYS 8 -1.573 -6.819 0.818
42 HA LYS 8 HA LYS 8 0.116 -6.747 2.355
43 1HB LYS 8 2HB LYS 8 1.458 -8.943 0.763
44 2HB LYS 8 1HB LYS 8 1.934 -8.382 2.359
45 1HG LYS 8 2HG LYS 8 -0.002 -9.293 3.360
46 2HG LYS 8 1HG LYS 8 -0.763 -9.579 1.793
47 1HD LYS 8 2HD LYS 8 1.812 -10.907 2.615
48 2HD LYS 8 1HD LYS 8 0.231 -11.604 2.968
49 1HE LYS 8 2HE LYS 8 1.058 -12.610 0.957
50 2HE LYS 8 1HE LYS 8 -0.275 -11.541 0.530
51 1HZ LYS 8 1HZ LYS 8 1.142 -10.021 -0.453
52 2HZ LYS 8 2HZ LYS 8 1.868 -11.494 -0.869
53 3HZ LYS 8 3HZ LYS 8 2.506 -10.568 0.392
54 H LEU 9 H LEU 9 0.041 -4.816 0.699
55 HA LEU 9 HA LEU 9 2.804 -4.131 0.201
56 1HB LEU 9 2HB LEU 9 2.065 -5.231 -1.906
57 2HB LEU 9 1HB LEU 9 0.782 -4.046 -2.046
58 HG LEU 9 HG LEU 9 2.489 -2.256 -2.227
59 1HD1 LEU 9 1HD1 LEU 9 4.648 -2.593 -1.832
60 2HD1 LEU 9 2HD1 LEU 9 4.696 -3.993 -2.904
61 3HD1 LEU 9 3HD1 LEU 9 4.209 -4.188 -1.220
62 1HD2 LEU 9 1HD2 LEU 9 2.530 -4.525 -4.198
63 2HD2 LEU 9 2HD2 LEU 9 3.346 -2.990 -4.495
64 3HD2 LEU 9 3HD2 LEU 9 1.597 -3.030 -4.268
65 H CYS 10 H CYS 10 1.927 -2.882 2.071
66 HA CYS 10 HA CYS 10 0.036 -0.791 1.533
67 1HB CYS 10 2HB CYS 10 1.883 -1.189 3.898
68 2HB CYS 10 1HB CYS 10 0.556 -0.041 3.822
69 H HIS 11 H HIS 11 0.431 1.196 0.800
70 HA HIS 11 HA HIS 11 2.870 2.597 1.260
71 1HB HIS 11 2HB HIS 11 3.578 2.807 -1.118
72 2HB HIS 11 1HB HIS 11 3.774 1.183 -0.482
73 HD1 HIS 11 1HD HIS 11 3.845 1.108 -3.338
74 HD2 HIS 11 2HD HIS 11 0.178 1.266 -1.392
75 HE1 HIS 11 1HE HIS 11 2.168 0.231 -4.990
76 HA HYP 12 HA HYP 12 0.231 6.066 0.745
77 1HB HYP 12 1HB HYP 12 1.644 7.820 0.804
78 2HB HYP 12 2HB HYP 12 2.116 7.542 -0.874
79 1HD HYP 12 2HD1 HYP 12 3.847 4.425 0.707
80 2HD HYP 12 1HD1 HYP 12 2.880 5.029 2.070
81 HOD HYP 12 2HD HYP 12 4.363 7.895 1.298
82 HG HYP 12 HG HYP 12 4.054 6.536 -0.215
83 H CYS 13 H CYS 13 -1.315 6.645 -0.640
84 HA CYS 13 HA CYS 13 -1.466 5.380 -3.189
85 1HB CYS 13 2HB CYS 13 -3.265 7.590 -2.201
86 2HB CYS 13 1HB CYS 13 -3.653 6.296 -3.330
87 1HN NH2 14 1H CYS 13 -0.568 6.086 -5.001
88 2HN NH2 14 2H CYS 13 -0.016 7.696 -5.290
Start of MODEL 12
1 1H ASN 1 1HT ASN 1 -8.077 10.368 1.479
2 2H ASN 1 2HT ASN 1 -7.643 9.755 -0.036
3 3H ASN 1 3HT ASN 1 -6.443 10.235 1.058
4 HA ASN 1 HA ASN 1 -8.173 8.297 2.207
5 1HB ASN 1 2HB ASN 1 -8.333 7.601 -0.179
6 2HB ASN 1 1HB ASN 1 -6.576 7.510 -0.251
7 1HD2 ASN 1 1HD2 ASN 1 -5.923 5.470 -0.220
8 2HD2 ASN 1 2HD2 ASN 1 -6.609 4.208 0.742
9 H GLY 2 H GLY 2 -6.810 6.701 3.333
10 1HA GLY 2 2HA GLY 2 -4.386 7.936 4.282
11 2HA GLY 2 1HA GLY 2 -5.078 6.419 4.845
12 H VAL 3 H VAL 3 -3.420 5.014 4.705
13 HA VAL 3 HA VAL 3 -1.605 5.053 2.462
14 HB VAL 3 HB VAL 3 -1.820 3.002 4.675
15 1HG1 VAL 3 1HG1 VAL 3 0.819 3.353 3.676
16 2HG1 VAL 3 2HG1 VAL 3 -0.265 3.081 2.312
17 3HG1 VAL 3 3HG1 VAL 3 -0.197 1.913 3.630
18 1HG2 VAL 3 1HG2 VAL 3 -0.546 5.684 4.570
19 2HG2 VAL 3 2HG2 VAL 3 0.316 4.390 5.402
20 3HG2 VAL 3 3HG2 VAL 3 -1.308 4.844 5.921
21 H CYS 4 H CYS 4 -1.911 3.982 0.610
22 HA CYS 4 HA CYS 4 -4.169 2.197 0.349
23 1HB CYS 4 2HB CYS 4 -2.187 3.351 -1.609
24 2HB CYS 4 1HB CYS 4 -3.330 2.099 -2.083
25 H CYS 5 H CYS 5 -4.049 0.073 0.625
26 HA CYS 5 HA CYS 5 -1.405 -1.197 0.504
27 1HB CYS 5 2HB CYS 5 -3.936 -2.200 1.825
28 2HB CYS 5 1HB CYS 5 -2.351 -2.961 1.906
29 H GLY 6 H GLY 6 -0.963 -2.467 -1.163
30 1HA GLY 6 2HA GLY 6 -3.127 -3.221 -2.980
31 2HA GLY 6 1HA GLY 6 -1.405 -3.310 -3.319
32 H TYR 7 H TYR 7 -0.796 -5.319 -3.633
33 HA TYR 7 HA TYR 7 -2.235 -7.577 -2.639
34 1HB TYR 7 2HB TYR 7 0.384 -7.341 -4.134
35 2HB TYR 7 1HB TYR 7 -0.340 -8.880 -3.685
36 HD1 TYR 7 1HD TYR 7 -1.405 -9.963 -5.402
37 HD2 TYR 7 2HD TYR 7 -1.501 -5.710 -5.327
38 HE1 TYR 7 1HE TYR 7 -2.710 -9.959 -7.485
39 HE2 TYR 7 2HE TYR 7 -2.810 -5.697 -7.407
40 HH TYR 7 HH TYR 7 -3.378 -8.618 -9.238
41 H LYS 8 H LYS 8 -1.891 -6.544 -0.421
42 HA LYS 8 HA LYS 8 -1.165 -6.845 1.709
43 1HB LYS 8 2HB LYS 8 0.522 -9.017 0.461
44 2HB LYS 8 1HB LYS 8 0.583 -8.638 2.174
45 1HG LYS 8 2HG LYS 8 -0.881 -10.412 2.113
46 2HG LYS 8 1HG LYS 8 -1.976 -9.032 2.103
47 1HD LYS 8 2HD LYS 8 -2.668 -10.723 0.482
48 2HD LYS 8 1HD LYS 8 -2.205 -9.221 -0.322
49 1HE LYS 8 2HE LYS 8 -1.339 -11.225 -1.474
50 2HE LYS 8 1HE LYS 8 -0.056 -10.152 -0.916
51 1HZ LYS 8 1HZ LYS 8 0.767 -11.731 0.391
52 2HZ LYS 8 2HZ LYS 8 -0.221 -12.824 -0.442
53 3HZ LYS 8 3HZ LYS 8 -0.749 -12.149 1.017
54 H LEU 9 H LEU 9 -0.061 -4.948 -0.117
55 HA LEU 9 HA LEU 9 2.418 -4.349 1.314
56 1HB LEU 9 2HB LEU 9 2.059 -4.263 -1.682
57 2HB LEU 9 1HB LEU 9 3.386 -3.486 -0.843
58 HG LEU 9 HG LEU 9 2.842 -6.449 -0.735
59 1HD1 LEU 9 1HD1 LEU 9 5.179 -6.063 -2.139
60 2HD1 LEU 9 2HD1 LEU 9 4.112 -4.812 -2.775
61 3HD1 LEU 9 3HD1 LEU 9 3.615 -6.503 -2.828
62 1HD2 LEU 9 1HD2 LEU 9 5.112 -6.571 0.149
63 2HD2 LEU 9 2HD2 LEU 9 4.089 -5.561 1.169
64 3HD2 LEU 9 3HD2 LEU 9 5.245 -4.814 0.068
65 H CYS 10 H CYS 10 1.826 -2.618 2.399
66 HA CYS 10 HA CYS 10 -0.014 -0.685 1.287
67 1HB CYS 10 2HB CYS 10 1.421 -0.724 3.948
68 2HB CYS 10 1HB CYS 10 0.131 0.385 3.494
69 H HIS 11 H HIS 11 0.449 1.362 0.644
70 HA HIS 11 HA HIS 11 2.966 2.625 1.097
71 1HB HIS 11 2HB HIS 11 3.741 2.707 -1.244
72 2HB HIS 11 1HB HIS 11 3.732 1.065 -0.623
73 HD1 HIS 11 1HD HIS 11 3.846 1.036 -3.492
74 HD2 HIS 11 2HD HIS 11 0.191 1.554 -1.585
75 HE1 HIS 11 1HE HIS 11 2.107 0.377 -5.180
76 HA HYP 12 HA HYP 12 0.692 6.273 0.189
77 1HB HYP 12 1HB HYP 12 2.198 7.905 -0.240
78 2HB HYP 12 2HB HYP 12 2.504 7.276 -1.858
79 1HD HYP 12 2HD1 HYP 12 4.132 4.341 0.056
80 2HD HYP 12 1HD1 HYP 12 3.325 5.191 1.390
81 HOD HYP 12 2HD HYP 12 5.034 7.700 0.174
82 HG HYP 12 HG HYP 12 4.432 6.295 -1.138
83 H CYS 13 H CYS 13 -0.950 6.847 -1.119
84 HA CYS 13 HA CYS 13 -1.555 5.218 -3.371
85 1HB CYS 13 2HB CYS 13 -2.956 7.760 -2.541
86 2HB CYS 13 1HB CYS 13 -3.623 6.416 -3.463
87 1HN NH2 14 1H CYS 13 -1.251 6.422 -6.065
88 2HN NH2 14 2H CYS 13 0.248 6.027 -5.302
Start of MODEL 13
1 1H ASN 1 1HT ASN 1 -8.313 10.093 -0.610
2 2H ASN 1 2HT ASN 1 -7.812 9.817 0.982
3 3H ASN 1 3HT ASN 1 -8.528 8.568 0.091
4 HA ASN 1 HA ASN 1 -6.632 7.996 -0.888
5 1HB ASN 1 2HB ASN 1 -6.904 10.198 -2.184
6 2HB ASN 1 1HB ASN 1 -5.790 10.902 -1.018
7 1HD2 ASN 1 1HD2 ASN 1 -5.901 9.820 -4.021
8 2HD2 ASN 1 2HD2 ASN 1 -4.309 9.173 -4.198
9 H GLY 2 H GLY 2 -4.638 7.359 -0.033
10 1HA GLY 2 2HA GLY 2 -3.104 8.758 1.827
11 2HA GLY 2 1HA GLY 2 -4.251 7.775 2.731
12 H VAL 3 H VAL 3 -3.075 6.136 3.525
13 HA VAL 3 HA VAL 3 -0.960 4.913 2.001
14 HB VAL 3 HB VAL 3 -2.184 3.949 4.595
15 1HG1 VAL 3 1HG1 VAL 3 0.520 3.397 3.376
16 2HG1 VAL 3 2HG1 VAL 3 -0.847 2.283 3.371
17 3HG1 VAL 3 3HG1 VAL 3 -0.097 2.752 4.897
18 1HG2 VAL 3 1HG2 VAL 3 -1.252 6.327 4.586
19 2HG2 VAL 3 2HG2 VAL 3 0.327 5.579 4.352
20 3HG2 VAL 3 3HG2 VAL 3 -0.616 5.214 5.797
21 H CYS 4 H CYS 4 -1.739 3.920 0.236
22 HA CYS 4 HA CYS 4 -4.083 2.245 0.337
23 1HB CYS 4 2HB CYS 4 -2.104 2.818 -1.887
24 2HB CYS 4 1HB CYS 4 -3.603 1.906 -2.077
25 H CYS 5 H CYS 5 -4.101 0.022 0.451
26 HA CYS 5 HA CYS 5 -1.520 -1.338 0.224
27 1HB CYS 5 2HB CYS 5 -2.050 -0.768 2.642
28 2HB CYS 5 1HB CYS 5 -3.399 -1.893 2.518
29 H GLY 6 H GLY 6 -1.621 -3.108 -0.925
30 1HA GLY 6 2HA GLY 6 -4.268 -4.242 -1.549
31 2HA GLY 6 1HA GLY 6 -2.831 -4.396 -2.555
32 H TYR 7 H TYR 7 -1.772 -6.254 -2.440
33 HA TYR 7 HA TYR 7 -2.510 -8.256 -0.514
34 1HB TYR 7 2HB TYR 7 -1.956 -8.758 -2.915
35 2HB TYR 7 1HB TYR 7 -0.281 -8.346 -2.564
36 HD1 TYR 7 1HD TYR 7 0.937 -10.313 -2.709
37 HD2 TYR 7 2HD TYR 7 -2.764 -10.341 -0.610
38 HE1 TYR 7 1HE TYR 7 1.361 -12.631 -2.004
39 HE2 TYR 7 2HE TYR 7 -2.349 -12.658 0.102
40 HH TYR 7 HH TYR 7 0.578 -14.119 -0.003
41 H LYS 8 H LYS 8 -1.798 -6.498 1.103
42 HA LYS 8 HA LYS 8 -0.540 -6.057 2.926
43 1HB LYS 8 2HB LYS 8 1.076 -8.355 1.880
44 2HB LYS 8 1HB LYS 8 1.670 -7.382 3.220
45 1HG LYS 8 2HG LYS 8 -0.859 -9.009 3.117
46 2HG LYS 8 1HG LYS 8 0.557 -9.273 4.137
47 1HD LYS 8 2HD LYS 8 -1.342 -6.930 4.278
48 2HD LYS 8 1HD LYS 8 -1.236 -8.261 5.430
49 1HE LYS 8 2HE LYS 8 0.926 -7.574 6.148
50 2HE LYS 8 1HE LYS 8 1.068 -6.421 4.823
51 1HZ LYS 8 1HZ LYS 8 -1.127 -6.134 6.757
52 2HZ LYS 8 2HZ LYS 8 -0.353 -4.948 5.830
53 3HZ LYS 8 3HZ LYS 8 0.423 -5.607 7.182
54 H LEU 9 H LEU 9 0.329 -5.496 -0.167
55 HA LEU 9 HA LEU 9 2.850 -4.178 0.283
56 1HB LEU 9 2HB LEU 9 0.980 -4.088 -2.089
57 2HB LEU 9 1HB LEU 9 2.612 -3.445 -2.055
58 HG LEU 9 HG LEU 9 1.932 -6.356 -1.665
59 1HD1 LEU 9 1HD1 LEU 9 3.354 -5.913 -4.063
60 2HD1 LEU 9 2HD1 LEU 9 1.990 -4.795 -4.052
61 3HD1 LEU 9 3HD1 LEU 9 1.713 -6.527 -3.867
62 1HD2 LEU 9 1HD2 LEU 9 4.543 -4.905 -2.070
63 2HD2 LEU 9 2HD2 LEU 9 4.353 -6.658 -2.100
64 3HD2 LEU 9 3HD2 LEU 9 4.016 -5.759 -0.621
65 H CYS 10 H CYS 10 1.931 -2.931 2.082
66 HA CYS 10 HA CYS 10 0.046 -0.844 1.522
67 1HB CYS 10 2HB CYS 10 1.856 -1.230 3.915
68 2HB CYS 10 1HB CYS 10 0.511 -0.104 3.822
69 H HIS 11 H HIS 11 0.419 1.142 0.805
70 HA HIS 11 HA HIS 11 2.747 2.650 1.347
71 1HB HIS 11 2HB HIS 11 3.631 2.833 -0.973
72 2HB HIS 11 1HB HIS 11 3.865 1.241 -0.273
73 HD1 HIS 11 1HD HIS 11 4.143 1.233 -3.165
74 HD2 HIS 11 2HD HIS 11 0.385 0.950 -1.414
75 HE1 HIS 11 1HE HIS 11 2.669 0.175 -4.902
76 HA HYP 12 HA HYP 12 -0.294 5.730 0.524
77 1HB HYP 12 1HB HYP 12 0.714 7.670 1.113
78 2HB HYP 12 2HB HYP 12 1.820 7.588 -0.260
79 1HD HYP 12 2HD1 HYP 12 3.586 5.174 0.238
80 2HD HYP 12 1HD1 HYP 12 3.110 4.505 1.816
81 HOD HYP 12 2HD HYP 12 2.683 6.852 3.343
82 HG HYP 12 HG HYP 12 3.336 7.169 1.488
83 H CYS 13 H CYS 13 -1.436 6.370 -1.195
84 HA CYS 13 HA CYS 13 -0.675 5.487 -3.788
85 1HB CYS 13 2HB CYS 13 -3.033 6.871 -2.615
86 2HB CYS 13 1HB CYS 13 -2.798 7.005 -4.353
87 1HN NH2 14 1H CYS 13 -0.572 8.590 -2.158
88 2HN NH2 14 2H CYS 13 0.532 9.254 -3.308
Start of MODEL 14
1 1H ASN 1 1HT ASN 1 -1.317 10.272 -1.923
2 2H ASN 1 2HT ASN 1 -1.324 11.858 -1.326
3 3H ASN 1 3HT ASN 1 -2.752 10.949 -1.329
4 HA ASN 1 HA ASN 1 -0.363 10.105 0.179
5 1HB ASN 1 2HB ASN 1 -1.609 11.088 2.178
6 2HB ASN 1 1HB ASN 1 -0.871 12.253 1.085
7 1HD2 ASN 1 1HD2 ASN 1 -2.143 13.984 1.144
8 2HD2 ASN 1 2HD2 ASN 1 -3.858 13.978 0.917
9 H GLY 2 H GLY 2 -2.103 9.472 2.436
10 1HA GLY 2 2HA GLY 2 -3.607 7.876 3.160
11 2HA GLY 2 1HA GLY 2 -4.171 7.712 1.503
12 H VAL 3 H VAL 3 -3.223 5.822 3.775
13 HA VAL 3 HA VAL 3 -0.990 4.450 2.589
14 HB VAL 3 HB VAL 3 -2.814 3.443 4.780
15 1HG1 VAL 3 1HG1 VAL 3 0.074 2.743 4.467
16 2HG1 VAL 3 2HG1 VAL 3 -1.139 1.919 3.487
17 3HG1 VAL 3 3HG1 VAL 3 -1.224 1.837 5.247
18 1HG2 VAL 3 1HG2 VAL 3 -0.223 4.507 5.589
19 2HG2 VAL 3 2HG2 VAL 3 -1.822 4.768 6.285
20 3HG2 VAL 3 3HG2 VAL 3 -1.294 5.730 4.904
21 H CYS 4 H CYS 4 -1.832 4.070 0.505
22 HA CYS 4 HA CYS 4 -4.150 2.416 0.135
23 1HB CYS 4 2HB CYS 4 -2.034 3.346 -1.826
24 2HB CYS 4 1HB CYS 4 -3.536 2.533 -2.260
25 H CYS 5 H CYS 5 -3.666 0.513 1.250
26 HA CYS 5 HA CYS 5 -1.289 -0.975 0.613
27 1HB CYS 5 2HB CYS 5 -2.756 -0.936 2.826
28 2HB CYS 5 1HB CYS 5 -3.607 -2.244 2.006
29 H GLY 6 H GLY 6 -1.052 -2.496 -0.896
30 1HA GLY 6 2HA GLY 6 -3.399 -3.125 -2.553
31 2HA GLY 6 1HA GLY 6 -1.724 -3.224 -3.073
32 H TYR 7 H TYR 7 -1.072 -5.219 -3.370
33 HA TYR 7 HA TYR 7 -2.459 -7.451 -2.251
34 1HB TYR 7 2HB TYR 7 -1.504 -7.479 -4.554
35 2HB TYR 7 1HB TYR 7 0.110 -7.451 -3.851
36 HD1 TYR 7 1HD TYR 7 1.074 -9.524 -4.292
37 HD2 TYR 7 2HD TYR 7 -2.937 -9.373 -2.882
38 HE1 TYR 7 1HE TYR 7 1.052 -11.977 -4.108
39 HE2 TYR 7 2HE TYR 7 -2.971 -11.823 -2.696
40 HH TYR 7 HH TYR 7 -0.726 -13.813 -4.116
41 H LYS 8 H LYS 8 -1.960 -6.505 -0.087
42 HA LYS 8 HA LYS 8 -1.179 -7.053 1.992
43 1HB LYS 8 2HB LYS 8 1.064 -8.552 0.626
44 2HB LYS 8 1HB LYS 8 0.704 -8.573 2.344
45 1HG LYS 8 2HG LYS 8 -1.135 -9.586 0.184
46 2HG LYS 8 1HG LYS 8 -0.066 -10.591 1.161
47 1HD LYS 8 2HD LYS 8 -1.250 -9.931 3.177
48 2HD LYS 8 1HD LYS 8 -2.280 -8.847 2.239
49 1HE LYS 8 2HE LYS 8 -3.394 -10.979 2.761
50 2HE LYS 8 1HE LYS 8 -3.210 -10.723 1.026
51 1HZ LYS 8 1HZ LYS 8 -2.635 -13.011 2.023
52 2HZ LYS 8 2HZ LYS 8 -1.195 -12.274 2.518
53 3HZ LYS 8 3HZ LYS 8 -1.588 -12.340 0.874
54 H LEU 9 H LEU 9 0.723 -5.686 -0.499
55 HA LEU 9 HA LEU 9 2.559 -4.462 1.401
56 1HB LEU 9 2HB LEU 9 2.463 -4.580 -1.584
57 2HB LEU 9 1HB LEU 9 3.423 -3.350 -0.786
58 HG LEU 9 HG LEU 9 4.934 -5.055 -1.231
59 1HD1 LEU 9 1HD1 LEU 9 5.765 -5.659 0.842
60 2HD1 LEU 9 2HD1 LEU 9 4.156 -5.847 1.540
61 3HD1 LEU 9 3HD1 LEU 9 4.783 -4.235 1.193
62 1HD2 LEU 9 1HD2 LEU 9 3.419 -6.802 -1.904
63 2HD2 LEU 9 2HD2 LEU 9 2.874 -7.015 -0.240
64 3HD2 LEU 9 3HD2 LEU 9 4.528 -7.434 -0.687
65 H CYS 10 H CYS 10 2.101 -2.672 2.340
66 HA CYS 10 HA CYS 10 -0.013 -0.947 1.343
67 1HB CYS 10 2HB CYS 10 1.634 -0.804 3.879
68 2HB CYS 10 1HB CYS 10 0.286 0.256 3.491
69 H HIS 11 H HIS 11 0.264 1.155 0.621
70 HA HIS 11 HA HIS 11 2.772 2.513 0.818
71 1HB HIS 11 2HB HIS 11 3.161 2.644 -1.669
72 2HB HIS 11 1HB HIS 11 3.494 1.074 -0.953
73 HD1 HIS 11 1HD HIS 11 0.505 2.721 -2.688
74 HD2 HIS 11 2HD HIS 11 2.479 -0.929 -2.435
75 HE1 HIS 11 1HE HIS 11 -0.670 1.206 -4.313
76 HA HYP 12 HA HYP 12 -0.179 5.774 0.505
77 1HB HYP 12 1HB HYP 12 0.969 7.592 1.211
78 2HB HYP 12 2HB HYP 12 2.026 7.563 -0.202
79 1HD HYP 12 2HD1 HYP 12 3.650 5.001 0.030
80 2HD HYP 12 1HD1 HYP 12 3.141 4.220 1.544
81 HOD HYP 12 2HD HYP 12 2.986 6.325 3.287
82 HG HYP 12 HG HYP 12 3.557 6.886 1.450
83 H CYS 13 H CYS 13 -1.366 6.661 -1.066
84 HA CYS 13 HA CYS 13 -0.763 6.049 -3.782
85 1HB CYS 13 2HB CYS 13 -2.995 7.474 -2.387
86 2HB CYS 13 1HB CYS 13 -2.830 7.643 -4.130
87 1HN NH2 14 1H CYS 13 0.332 8.453 -5.428
88 2HN NH2 14 2H CYS 13 1.316 7.512 -4.363
Start of MODEL 15
1 1H ASN 1 1HT ASN 1 0.823 10.983 4.291
2 2H ASN 1 2HT ASN 1 0.041 9.651 4.989
3 3H ASN 1 3HT ASN 1 -0.795 11.105 4.773
4 HA ASN 1 HA ASN 1 -1.058 10.820 2.536
5 1HB ASN 1 2HB ASN 1 1.052 8.667 2.474
6 2HB ASN 1 1HB ASN 1 0.430 9.628 1.137
7 1HD2 ASN 1 1HD2 ASN 1 3.151 9.116 2.461
8 2HD2 ASN 1 2HD2 ASN 1 3.825 10.708 2.585
9 H GLY 2 H GLY 2 -2.305 9.200 1.399
10 1HA GLY 2 2HA GLY 2 -3.734 7.476 3.135
11 2HA GLY 2 1HA GLY 2 -3.875 7.522 1.382
12 H VAL 3 H VAL 3 -3.349 5.456 3.742
13 HA VAL 3 HA VAL 3 -1.012 4.092 2.743
14 HB VAL 3 HB VAL 3 -2.999 2.980 4.722
15 1HG1 VAL 3 1HG1 VAL 3 -1.323 1.430 3.855
16 2HG1 VAL 3 2HG1 VAL 3 -1.062 1.763 5.567
17 3HG1 VAL 3 3HG1 VAL 3 -0.040 2.533 4.354
18 1HG2 VAL 3 1HG2 VAL 3 -2.198 4.230 6.436
19 2HG2 VAL 3 2HG2 VAL 3 -1.913 5.389 5.137
20 3HG2 VAL 3 3HG2 VAL 3 -0.591 4.379 5.723
21 H CYS 4 H CYS 4 -1.670 3.732 0.600
22 HA CYS 4 HA CYS 4 -3.998 2.175 -0.002
23 1HB CYS 4 2HB CYS 4 -1.669 2.896 -1.790
24 2HB CYS 4 1HB CYS 4 -3.264 2.356 -2.307
25 H CYS 5 H CYS 5 -3.548 0.292 1.312
26 HA CYS 5 HA CYS 5 -1.312 -1.414 0.634
27 1HB CYS 5 2HB CYS 5 -3.742 -2.144 2.279
28 2HB CYS 5 1HB CYS 5 -2.158 -2.910 2.310
29 H GLY 6 H GLY 6 -2.619 -0.910 -1.665
30 1HA GLY 6 2HA GLY 6 -4.744 -2.485 -2.467
31 2HA GLY 6 1HA GLY 6 -3.471 -1.931 -3.533
32 H TYR 7 H TYR 7 -1.623 -3.330 -3.866
33 HA TYR 7 HA TYR 7 -2.398 -6.072 -4.055
34 1HB TYR 7 2HB TYR 7 0.146 -4.616 -4.770
35 2HB TYR 7 1HB TYR 7 -0.055 -6.348 -5.001
36 HD1 TYR 7 1HD TYR 7 -2.108 -3.292 -5.733
37 HD2 TYR 7 2HD TYR 7 -0.466 -6.942 -7.177
38 HE1 TYR 7 1HE TYR 7 -3.146 -2.886 -7.923
39 HE2 TYR 7 2HE TYR 7 -1.498 -6.543 -9.373
40 HH TYR 7 HH TYR 7 -2.738 -5.179 -10.607
41 H LYS 8 H LYS 8 -2.499 -5.594 -1.439
42 HA LYS 8 HA LYS 8 -1.860 -6.336 0.607
43 1HB LYS 8 2HB LYS 8 -1.741 -8.481 -0.784
44 2HB LYS 8 1HB LYS 8 0.000 -8.245 -0.805
45 1HG LYS 8 2HG LYS 8 0.049 -8.354 1.636
46 2HG LYS 8 1HG LYS 8 -1.700 -8.589 1.658
47 1HD LYS 8 2HD LYS 8 0.305 -10.430 0.353
48 2HD LYS 8 1HD LYS 8 -0.488 -10.710 1.904
49 1HE LYS 8 2HE LYS 8 -1.855 -10.469 -0.776
50 2HE LYS 8 1HE LYS 8 -1.577 -11.965 0.114
51 1HZ LYS 8 1HZ LYS 8 -3.491 -11.626 1.144
52 2HZ LYS 8 2HZ LYS 8 -3.703 -10.137 0.369
53 3HZ LYS 8 3HZ LYS 8 -2.871 -10.213 1.840
54 H LEU 9 H LEU 9 -0.361 -4.213 -0.738
55 HA LEU 9 HA LEU 9 2.007 -4.257 0.984
56 1HB LEU 9 2HB LEU 9 1.947 -3.435 -1.923
57 2HB LEU 9 1HB LEU 9 3.274 -3.080 -0.832
58 HG LEU 9 HG LEU 9 2.357 -5.874 -1.496
59 1HD1 LEU 9 1HD1 LEU 9 4.205 -6.025 -3.012
60 2HD1 LEU 9 2HD1 LEU 9 4.736 -4.393 -2.603
61 3HD1 LEU 9 3HD1 LEU 9 3.222 -4.637 -3.475
62 1HD2 LEU 9 1HD2 LEU 9 3.494 -5.902 0.564
63 2HD2 LEU 9 2HD2 LEU 9 4.695 -4.736 0.009
64 3HD2 LEU 9 3HD2 LEU 9 4.693 -6.376 -0.638
65 H CYS 10 H CYS 10 1.748 -2.657 2.345
66 HA CYS 10 HA CYS 10 -0.008 -0.464 1.779
67 1HB CYS 10 2HB CYS 10 1.762 -1.081 4.146
68 2HB CYS 10 1HB CYS 10 0.668 0.298 4.069
69 H HIS 11 H HIS 11 0.478 1.377 0.897
70 HA HIS 11 HA HIS 11 2.862 2.837 1.325
71 1HB HIS 11 2HB HIS 11 3.899 2.698 -0.852
72 2HB HIS 11 1HB HIS 11 3.732 1.058 -0.238
73 HD1 HIS 11 1HD HIS 11 1.296 -0.093 -1.188
74 HD2 HIS 11 2HD HIS 11 3.163 2.874 -3.433
75 HE1 HIS 11 1HE HIS 11 0.387 -0.333 -3.517
76 HA HYP 12 HA HYP 12 0.000 5.943 0.021
77 1HB HYP 12 1HB HYP 12 1.132 7.897 0.228
78 2HB HYP 12 2HB HYP 12 2.127 7.540 -1.186
79 1HD HYP 12 2HD1 HYP 12 3.845 5.107 -0.317
80 2HD HYP 12 1HD1 HYP 12 3.397 4.804 1.375
81 HOD HYP 12 2HD HYP 12 2.375 6.099 2.386
82 HG HYP 12 HG HYP 12 3.773 7.326 0.446
83 H CYS 13 H CYS 13 -1.188 6.373 -1.768
84 HA CYS 13 HA CYS 13 -0.739 4.951 -4.150
85 1HB CYS 13 2HB CYS 13 -2.627 7.162 -3.396
86 2HB CYS 13 1HB CYS 13 -2.549 6.585 -5.054
87 1HN NH2 14 1H CYS 13 -0.053 8.273 -3.258
88 2HN NH2 14 2H CYS 13 0.891 8.646 -4.654
Start of MODEL 16
1 1H ASN 1 1HT ASN 1 -6.790 8.768 4.002
2 2H ASN 1 2HT ASN 1 -7.800 7.758 4.910
3 3H ASN 1 3HT ASN 1 -8.360 8.436 3.460
4 HA ASN 1 HA ASN 1 -6.794 6.075 3.901
5 1HB ASN 1 2HB ASN 1 -7.721 5.608 1.596
6 2HB ASN 1 1HB ASN 1 -8.935 5.961 2.822
7 1HD2 ASN 1 1HD2 ASN 1 -8.196 6.494 -0.280
8 2HD2 ASN 1 2HD2 ASN 1 -8.954 8.028 -0.520
9 H GLY 2 H GLY 2 -4.855 7.872 4.084
10 1HA GLY 2 2HA GLY 2 -3.724 8.686 1.596
11 2HA GLY 2 1HA GLY 2 -2.911 8.687 3.154
12 H VAL 3 H VAL 3 -2.932 6.090 3.871
13 HA VAL 3 HA VAL 3 -0.962 4.963 2.100
14 HB VAL 3 HB VAL 3 -2.160 3.714 4.581
15 1HG1 VAL 3 1HG1 VAL 3 0.450 3.207 3.155
16 2HG1 VAL 3 2HG1 VAL 3 -0.965 2.153 3.137
17 3HG1 VAL 3 3HG1 VAL 3 -0.085 2.423 4.642
18 1HG2 VAL 3 1HG2 VAL 3 -1.153 5.302 5.767
19 2HG2 VAL 3 2HG2 VAL 3 -0.417 5.994 4.321
20 3HG2 VAL 3 3HG2 VAL 3 0.390 4.681 5.179
21 H CYS 4 H CYS 4 -1.363 3.538 0.530
22 HA CYS 4 HA CYS 4 -3.986 2.211 0.506
23 1HB CYS 4 2HB CYS 4 -2.205 3.037 -1.804
24 2HB CYS 4 1HB CYS 4 -3.717 2.144 -1.967
25 H CYS 5 H CYS 5 -3.883 0.103 0.944
26 HA CYS 5 HA CYS 5 -1.360 -1.310 0.578
27 1HB CYS 5 2HB CYS 5 -3.927 -2.267 1.865
28 2HB CYS 5 1HB CYS 5 -2.364 -3.076 1.927
29 H GLY 6 H GLY 6 -0.979 -2.465 -1.180
30 1HA GLY 6 2HA GLY 6 -3.228 -3.145 -2.935
31 2HA GLY 6 1HA GLY 6 -1.534 -3.098 -3.397
32 H TYR 7 H TYR 7 -0.791 -5.005 -3.891
33 HA TYR 7 HA TYR 7 -2.049 -7.441 -3.126
34 1HB TYR 7 2HB TYR 7 0.498 -6.854 -4.638
35 2HB TYR 7 1HB TYR 7 -0.080 -8.487 -4.332
36 HD1 TYR 7 1HD TYR 7 -1.105 -9.474 -6.130
37 HD2 TYR 7 2HD TYR 7 -1.569 -5.279 -5.593
38 HE1 TYR 7 1HE TYR 7 -2.487 -9.372 -8.161
39 HE2 TYR 7 2HE TYR 7 -2.953 -5.166 -7.620
40 HH TYR 7 HH TYR 7 -3.696 -8.085 -9.503
41 H LYS 8 H LYS 8 -1.700 -6.641 -0.799
42 HA LYS 8 HA LYS 8 -0.913 -7.170 1.264
43 1HB LYS 8 2HB LYS 8 0.906 -9.087 -0.209
44 2HB LYS 8 1HB LYS 8 0.725 -9.016 1.538
45 1HG LYS 8 2HG LYS 8 -1.454 -9.687 -0.431
46 2HG LYS 8 1HG LYS 8 -0.569 -10.840 0.571
47 1HD LYS 8 2HD LYS 8 -1.438 -9.750 2.585
48 2HD LYS 8 1HD LYS 8 -2.320 -8.598 1.582
49 1HE LYS 8 2HE LYS 8 -2.729 -11.586 1.620
50 2HE LYS 8 1HE LYS 8 -3.777 -10.393 2.385
51 1HZ LYS 8 1HZ LYS 8 -4.408 -9.540 0.289
52 2HZ LYS 8 2HZ LYS 8 -4.531 -11.223 0.165
53 3HZ LYS 8 3HZ LYS 8 -3.212 -10.419 -0.524
54 H LEU 9 H LEU 9 0.045 -4.978 -0.162
55 HA LEU 9 HA LEU 9 2.470 -4.456 1.328
56 1HB LEU 9 2HB LEU 9 3.295 -5.303 -0.839
57 2HB LEU 9 1HB LEU 9 2.337 -4.095 -1.672
58 HG LEU 9 HG LEU 9 3.687 -2.317 -0.585
59 1HD1 LEU 9 1HD1 LEU 9 4.565 -4.479 1.022
60 2HD1 LEU 9 2HD1 LEU 9 4.988 -2.772 1.147
61 3HD1 LEU 9 3HD1 LEU 9 5.960 -3.850 0.146
62 1HD2 LEU 9 1HD2 LEU 9 4.832 -2.400 -2.481
63 2HD2 LEU 9 2HD2 LEU 9 4.459 -4.116 -2.653
64 3HD2 LEU 9 3HD2 LEU 9 5.901 -3.611 -1.773
65 H CYS 10 H CYS 10 2.001 -2.646 2.368
66 HA CYS 10 HA CYS 10 -0.001 -0.846 1.297
67 1HB CYS 10 2HB CYS 10 1.460 -0.825 3.944
68 2HB CYS 10 1HB CYS 10 0.140 0.254 3.502
69 H HIS 11 H HIS 11 0.359 1.047 0.405
70 HA HIS 11 HA HIS 11 2.828 2.511 0.829
71 1HB HIS 11 2HB HIS 11 3.346 0.914 -1.030
72 2HB HIS 11 1HB HIS 11 2.007 1.591 -1.946
73 HD1 HIS 11 1HD HIS 11 2.332 4.374 -2.318
74 HD2 HIS 11 2HD HIS 11 5.707 2.020 -1.675
75 HE1 HIS 11 1HE HIS 11 4.273 5.717 -3.184
76 HA HYP 12 HA HYP 12 -0.330 5.651 0.695
77 1HB HYP 12 1HB HYP 12 0.717 7.565 1.320
78 2HB HYP 12 2HB HYP 12 1.831 7.503 -0.047
79 1HD HYP 12 2HD1 HYP 12 3.557 4.975 0.419
80 2HD HYP 12 1HD1 HYP 12 2.881 4.242 1.889
81 HOD HYP 12 2HD HYP 12 2.407 6.810 3.478
82 HG HYP 12 HG HYP 12 3.303 6.926 1.694
83 H CYS 13 H CYS 13 -1.568 6.506 -0.846
84 HA CYS 13 HA CYS 13 -1.009 5.889 -3.570
85 1HB CYS 13 2HB CYS 13 -3.269 7.163 -2.097
86 2HB CYS 13 1HB CYS 13 -3.161 7.419 -3.835
87 1HN NH2 14 1H CYS 13 -0.042 8.182 -5.278
88 2HN NH2 14 2H CYS 13 1.064 7.561 -4.107
Start of MODEL 17
1 1H ASN 1 1HT ASN 1 -7.397 6.862 -0.177
2 2H ASN 1 2HT ASN 1 -8.457 7.920 0.610
3 3H ASN 1 3HT ASN 1 -8.641 6.250 0.796
4 HA ASN 1 HA ASN 1 -7.355 7.841 2.529
5 1HB ASN 1 2HB ASN 1 -6.694 4.935 1.960
6 2HB ASN 1 1HB ASN 1 -6.519 5.767 3.501
7 1HD2 ASN 1 1HD2 ASN 1 -8.188 3.437 2.399
8 2HD2 ASN 1 2HD2 ASN 1 -9.770 3.771 3.013
9 H GLY 2 H GLY 2 -5.108 8.068 3.185
10 1HA GLY 2 2HA GLY 2 -3.410 8.757 1.020
11 2HA GLY 2 1HA GLY 2 -2.950 8.716 2.715
12 H VAL 3 H VAL 3 -3.058 6.245 3.499
13 HA VAL 3 HA VAL 3 -0.997 4.921 1.965
14 HB VAL 3 HB VAL 3 -2.336 4.016 4.525
15 1HG1 VAL 3 1HG1 VAL 3 -0.648 2.419 4.754
16 2HG1 VAL 3 2HG1 VAL 3 0.374 3.188 3.541
17 3HG1 VAL 3 3HG1 VAL 3 -1.085 2.330 3.048
18 1HG2 VAL 3 1HG2 VAL 3 0.300 5.444 4.204
19 2HG2 VAL 3 2HG2 VAL 3 -0.472 4.959 5.714
20 3HG2 VAL 3 3HG2 VAL 3 -1.199 6.218 4.716
21 H CYS 4 H CYS 4 -1.296 3.230 0.648
22 HA CYS 4 HA CYS 4 -3.952 1.961 0.611
23 1HB CYS 4 2HB CYS 4 -2.161 2.607 -1.744
24 2HB CYS 4 1HB CYS 4 -3.710 1.772 -1.835
25 H CYS 5 H CYS 5 -3.947 -0.210 0.786
26 HA CYS 5 HA CYS 5 -1.372 -1.608 0.433
27 1HB CYS 5 2HB CYS 5 -3.639 -2.491 2.230
28 2HB CYS 5 1HB CYS 5 -2.001 -3.131 2.180
29 H GLY 6 H GLY 6 -2.981 -1.156 -1.724
30 1HA GLY 6 2HA GLY 6 -4.961 -2.946 -2.396
31 2HA GLY 6 1HA GLY 6 -3.857 -2.234 -3.550
32 H TYR 7 H TYR 7 -1.811 -3.408 -3.953
33 HA TYR 7 HA TYR 7 -2.332 -6.194 -4.287
34 1HB TYR 7 2HB TYR 7 0.046 -4.466 -4.961
35 2HB TYR 7 1HB TYR 7 0.009 -6.196 -5.279
36 HD1 TYR 7 1HD TYR 7 -2.327 -3.307 -5.828
37 HD2 TYR 7 2HD TYR 7 -0.405 -6.731 -7.468
38 HE1 TYR 7 1HE TYR 7 -3.443 -2.898 -7.979
39 HE2 TYR 7 2HE TYR 7 -1.515 -6.329 -9.623
40 HH TYR 7 HH TYR 7 -3.026 -5.111 -10.719
41 H LYS 8 H LYS 8 -2.385 -5.826 -1.617
42 HA LYS 8 HA LYS 8 -1.596 -6.584 0.371
43 1HB LYS 8 2HB LYS 8 0.051 -8.407 -1.392
44 2HB LYS 8 1HB LYS 8 -0.233 -8.635 0.329
45 1HG LYS 8 2HG LYS 8 -2.632 -8.867 -0.105
46 2HG LYS 8 1HG LYS 8 -2.331 -8.661 -1.831
47 1HD LYS 8 2HD LYS 8 -0.914 -10.670 -1.805
48 2HD LYS 8 1HD LYS 8 -1.264 -10.883 -0.088
49 1HE LYS 8 2HE LYS 8 -3.268 -10.935 -2.342
50 2HE LYS 8 1HE LYS 8 -2.675 -12.331 -1.444
51 1HZ LYS 8 1HZ LYS 8 -3.610 -10.562 0.451
52 2HZ LYS 8 2HZ LYS 8 -4.347 -12.002 -0.046
53 3HZ LYS 8 3HZ LYS 8 -4.770 -10.538 -0.781
54 H LEU 9 H LEU 9 -0.317 -4.313 -0.725
55 HA LEU 9 HA LEU 9 2.141 -4.387 0.827
56 1HB LEU 9 2HB LEU 9 2.861 -4.880 -1.471
57 2HB LEU 9 1HB LEU 9 2.034 -3.445 -2.045
58 HG LEU 9 HG LEU 9 3.576 -2.053 -0.680
59 1HD1 LEU 9 1HD1 LEU 9 5.326 -4.449 -0.343
60 2HD1 LEU 9 2HD1 LEU 9 4.084 -4.089 0.855
61 3HD1 LEU 9 3HD1 LEU 9 5.350 -2.910 0.517
62 1HD2 LEU 9 1HD2 LEU 9 4.570 -3.864 -2.840
63 2HD2 LEU 9 2HD2 LEU 9 5.657 -2.698 -2.085
64 3HD2 LEU 9 3HD2 LEU 9 4.198 -2.141 -2.905
65 H CYS 10 H CYS 10 1.882 -2.798 2.223
66 HA CYS 10 HA CYS 10 0.070 -0.639 1.697
67 1HB CYS 10 2HB CYS 10 1.823 -1.287 4.065
68 2HB CYS 10 1HB CYS 10 0.745 0.105 4.002
69 H HIS 11 H HIS 11 0.499 1.233 0.900
70 HA HIS 11 HA HIS 11 2.822 2.751 1.394
71 1HB HIS 11 2HB HIS 11 3.720 2.856 -0.917
72 2HB HIS 11 1HB HIS 11 3.929 1.274 -0.190
73 HD1 HIS 11 1HD HIS 11 4.242 1.153 -3.049
74 HD2 HIS 11 2HD HIS 11 0.439 1.071 -1.378
75 HE1 HIS 11 1HE HIS 11 2.765 0.110 -4.792
76 HA HYP 12 HA HYP 12 -0.194 5.796 0.457
77 1HB HYP 12 1HB HYP 12 0.832 7.796 0.759
78 2HB HYP 12 2HB HYP 12 1.886 7.553 -0.636
79 1HD HYP 12 2HD1 HYP 12 3.674 5.215 0.041
80 2HD HYP 12 1HD1 HYP 12 3.229 4.682 1.677
81 HOD HYP 12 2HD HYP 12 2.700 7.344 2.958
82 HG HYP 12 HG HYP 12 3.450 7.310 1.113
83 H CYS 13 H CYS 13 -1.462 6.321 -1.201
84 HA CYS 13 HA CYS 13 -0.948 5.224 -3.775
85 1HB CYS 13 2HB CYS 13 -3.167 6.746 -2.504
86 2HB CYS 13 1HB CYS 13 -3.085 6.765 -4.261
87 1HN NH2 14 1H CYS 13 -0.619 8.386 -2.368
88 2HN NH2 14 2H CYS 13 0.063 9.149 -3.757
Start of MODEL 18
1 1H ASN 1 1HT ASN 1 -8.432 4.047 5.758
2 2H ASN 1 2HT ASN 1 -6.770 3.794 5.548
3 3H ASN 1 3HT ASN 1 -7.609 4.834 4.507
4 HA ASN 1 HA ASN 1 -8.185 6.054 6.732
5 1HB ASN 1 2HB ASN 1 -6.289 5.951 8.290
6 2HB ASN 1 1HB ASN 1 -7.024 4.362 8.105
7 1HD2 ASN 1 1HD2 ASN 1 -4.203 5.608 8.650
8 2HD2 ASN 1 2HD2 ASN 1 -3.175 4.592 7.699
9 H GLY 2 H GLY 2 -5.380 5.348 4.690
10 1HA GLY 2 2HA GLY 2 -5.388 7.880 3.470
11 2HA GLY 2 1HA GLY 2 -4.172 7.869 4.741
12 H VAL 3 H VAL 3 -3.192 5.360 4.627
13 HA VAL 3 HA VAL 3 -1.609 5.455 2.239
14 HB VAL 3 HB VAL 3 -0.452 3.484 3.218
15 1HG1 VAL 3 1HG1 VAL 3 0.401 4.718 5.263
16 2HG1 VAL 3 2HG1 VAL 3 -0.790 5.962 4.879
17 3HG1 VAL 3 3HG1 VAL 3 0.490 5.581 3.727
18 1HG2 VAL 3 1HG2 VAL 3 -2.202 2.407 4.432
19 2HG2 VAL 3 2HG2 VAL 3 -2.475 3.843 5.419
20 3HG2 VAL 3 3HG2 VAL 3 -0.983 2.920 5.598
21 H CYS 4 H CYS 4 -1.604 4.008 0.574
22 HA CYS 4 HA CYS 4 -4.023 2.455 0.202
23 1HB CYS 4 2HB CYS 4 -1.670 2.835 -1.671
24 2HB CYS 4 1HB CYS 4 -3.253 2.193 -2.096
25 H CYS 5 H CYS 5 -4.018 0.152 -0.136
26 HA CYS 5 HA CYS 5 -1.501 -1.235 0.085
27 1HB CYS 5 2HB CYS 5 -2.216 -0.653 2.464
28 2HB CYS 5 1HB CYS 5 -3.544 -1.787 2.231
29 H GLY 6 H GLY 6 -1.538 -3.186 -0.789
30 1HA GLY 6 2HA GLY 6 -4.158 -4.241 -1.658
31 2HA GLY 6 1HA GLY 6 -2.692 -4.357 -2.627
32 H TYR 7 H TYR 7 -1.628 -6.216 -2.517
33 HA TYR 7 HA TYR 7 -2.395 -8.226 -0.616
34 1HB TYR 7 2HB TYR 7 -1.845 -8.761 -2.995
35 2HB TYR 7 1HB TYR 7 -0.172 -8.319 -2.672
36 HD1 TYR 7 1HD TYR 7 1.087 -10.268 -2.778
37 HD2 TYR 7 2HD TYR 7 -2.611 -10.322 -0.672
38 HE1 TYR 7 1HE TYR 7 1.556 -12.562 -2.023
39 HE2 TYR 7 2HE TYR 7 -2.153 -12.614 0.087
40 HH TYR 7 HH TYR 7 0.437 -14.493 -1.190
41 H LYS 8 H LYS 8 -1.698 -6.550 1.059
42 HA LYS 8 HA LYS 8 -0.444 -6.204 2.928
43 1HB LYS 8 2HB LYS 8 1.541 -8.163 1.754
44 2HB LYS 8 1HB LYS 8 1.573 -7.526 3.392
45 1HG LYS 8 2HG LYS 8 -0.622 -9.230 2.228
46 2HG LYS 8 1HG LYS 8 0.667 -9.798 3.290
47 1HD LYS 8 2HD LYS 8 -0.128 -8.350 5.071
48 2HD LYS 8 1HD LYS 8 -1.375 -7.695 4.008
49 1HE LYS 8 2HE LYS 8 -2.273 -9.391 5.537
50 2HE LYS 8 1HE LYS 8 -2.422 -9.881 3.850
51 1HZ LYS 8 1HZ LYS 8 -0.141 -10.747 5.522
52 2HZ LYS 8 2HZ LYS 8 -0.698 -11.420 4.073
53 3HZ LYS 8 3HZ LYS 8 -1.598 -11.609 5.493
54 H LEU 9 H LEU 9 0.443 -5.516 -0.167
55 HA LEU 9 HA LEU 9 2.915 -4.144 0.348
56 1HB LEU 9 2HB LEU 9 1.085 -4.053 -2.052
57 2HB LEU 9 1HB LEU 9 2.703 -3.382 -1.979
58 HG LEU 9 HG LEU 9 2.073 -6.309 -1.638
59 1HD1 LEU 9 1HD1 LEU 9 1.504 -5.704 -3.883
60 2HD1 LEU 9 2HD1 LEU 9 3.066 -6.520 -3.919
61 3HD1 LEU 9 3HD1 LEU 9 2.985 -4.764 -4.060
62 1HD2 LEU 9 1HD2 LEU 9 4.214 -5.172 -0.672
63 2HD2 LEU 9 2HD2 LEU 9 4.740 -5.180 -2.355
64 3HD2 LEU 9 3HD2 LEU 9 4.339 -6.697 -1.549
65 H CYS 10 H CYS 10 1.892 -2.945 2.164
66 HA CYS 10 HA CYS 10 0.044 -0.839 1.528
67 1HB CYS 10 2HB CYS 10 1.689 -1.367 4.011
68 2HB CYS 10 1HB CYS 10 0.483 -0.096 3.873
69 H HIS 11 H HIS 11 0.475 1.126 0.825
70 HA HIS 11 HA HIS 11 2.660 2.733 1.514
71 1HB HIS 11 2HB HIS 11 3.977 2.756 -0.541
72 2HB HIS 11 1HB HIS 11 3.976 1.133 0.133
73 HD1 HIS 11 1HD HIS 11 2.173 3.095 -2.607
74 HD2 HIS 11 2HD HIS 11 3.311 -0.794 -1.650
75 HE1 HIS 11 1HE HIS 11 1.577 1.702 -4.613
76 HA HYP 12 HA HYP 12 -0.224 5.658 -0.116
77 1HB HYP 12 1HB HYP 12 0.757 7.714 0.042
78 2HB HYP 12 2HB HYP 12 2.062 7.277 -1.065
79 1HD HYP 12 2HD1 HYP 12 3.661 5.092 0.275
80 2HD HYP 12 1HD1 HYP 12 2.835 4.741 1.808
81 HOD HYP 12 2HD HYP 12 2.034 7.592 2.581
82 HG HYP 12 HG HYP 12 3.218 7.294 0.996
83 H CYS 13 H CYS 13 -1.179 6.166 -2.056
84 HA CYS 13 HA CYS 13 -0.423 4.652 -4.322
85 1HB CYS 13 2HB CYS 13 -2.478 6.814 -3.897
86 2HB CYS 13 1HB CYS 13 -2.236 6.056 -5.464
87 1HN NH2 14 1H CYS 13 -0.121 8.063 -3.517
88 2HN NH2 14 2H CYS 13 0.973 8.455 -4.794
Start of MODEL 19
1 1H ASN 1 1HT ASN 1 -7.806 6.967 1.689
2 2H ASN 1 2HT ASN 1 -6.982 8.312 1.074
3 3H ASN 1 3HT ASN 1 -8.550 8.487 1.684
4 HA ASN 1 HA ASN 1 -7.706 9.015 3.632
5 1HB ASN 1 2HB ASN 1 -8.159 6.668 4.103
6 2HB ASN 1 1HB ASN 1 -6.599 6.197 3.439
7 1HD2 ASN 1 1HD2 ASN 1 -8.271 6.853 6.231
8 2HD2 ASN 1 2HD2 ASN 1 -6.933 7.101 7.294
9 H GLY 2 H GLY 2 -5.027 7.038 2.339
10 1HA GLY 2 2HA GLY 2 -3.300 9.077 1.628
11 2HA GLY 2 1HA GLY 2 -3.016 8.774 3.339
12 H VAL 3 H VAL 3 -3.300 6.155 3.604
13 HA VAL 3 HA VAL 3 -1.142 5.061 1.941
14 HB VAL 3 HB VAL 3 -2.168 4.070 4.615
15 1HG1 VAL 3 1HG1 VAL 3 -0.784 2.307 4.462
16 2HG1 VAL 3 2HG1 VAL 3 0.487 3.246 3.680
17 3HG1 VAL 3 3HG1 VAL 3 -0.857 2.617 2.728
18 1HG2 VAL 3 1HG2 VAL 3 -0.207 6.112 3.903
19 2HG2 VAL 3 2HG2 VAL 3 0.429 4.872 4.985
20 3HG2 VAL 3 3HG2 VAL 3 -1.004 5.791 5.444
21 H CYS 4 H CYS 4 -1.576 3.442 0.580
22 HA CYS 4 HA CYS 4 -4.163 2.058 0.832
23 1HB CYS 4 2HB CYS 4 -2.769 3.099 -1.638
24 2HB CYS 4 1HB CYS 4 -4.019 1.864 -1.722
25 H CYS 5 H CYS 5 -4.018 -0.102 0.960
26 HA CYS 5 HA CYS 5 -1.391 -1.309 0.535
27 1HB CYS 5 2HB CYS 5 -3.847 -2.465 1.873
28 2HB CYS 5 1HB CYS 5 -2.245 -3.196 1.836
29 H GLY 6 H GLY 6 -0.975 -2.446 -1.225
30 1HA GLY 6 2HA GLY 6 -3.167 -3.130 -3.030
31 2HA GLY 6 1HA GLY 6 -1.451 -3.168 -3.412
32 H TYR 7 H TYR 7 -0.855 -5.155 -3.893
33 HA TYR 7 HA TYR 7 -2.227 -7.469 -2.925
34 1HB TYR 7 2HB TYR 7 -1.281 -7.397 -5.207
35 2HB TYR 7 1HB TYR 7 0.338 -7.272 -4.526
36 HD1 TYR 7 1HD TYR 7 1.458 -9.238 -5.045
37 HD2 TYR 7 2HD TYR 7 -2.544 -9.471 -3.617
38 HE1 TYR 7 1HE TYR 7 1.635 -11.689 -4.965
39 HE2 TYR 7 2HE TYR 7 -2.378 -11.923 -3.536
40 HH TYR 7 HH TYR 7 -0.329 -13.685 -5.081
41 H LYS 8 H LYS 8 -1.781 -6.666 -0.694
42 HA LYS 8 HA LYS 8 -0.897 -7.105 1.362
43 1HB LYS 8 2HB LYS 8 -0.567 -9.420 0.305
44 2HB LYS 8 1HB LYS 8 1.101 -8.941 0.038
45 1HG LYS 8 2HG LYS 8 1.309 -8.566 2.496
46 2HG LYS 8 1HG LYS 8 -0.306 -9.257 2.678
47 1HD LYS 8 2HD LYS 8 2.116 -10.630 1.512
48 2HD LYS 8 1HD LYS 8 1.377 -10.960 3.079
49 1HE LYS 8 2HE LYS 8 -0.631 -11.761 2.021
50 2HE LYS 8 1HE LYS 8 -0.034 -11.281 0.434
51 1HZ LYS 8 1HZ LYS 8 0.339 -13.715 1.746
52 2HZ LYS 8 2HZ LYS 8 1.855 -12.974 1.631
53 3HZ LYS 8 3HZ LYS 8 0.937 -13.242 0.235
54 H LEU 9 H LEU 9 0.027 -5.004 -0.369
55 HA LEU 9 HA LEU 9 2.570 -4.434 0.958
56 1HB LEU 9 2HB LEU 9 2.028 -4.115 -1.995
57 2HB LEU 9 1HB LEU 9 3.380 -3.365 -1.169
58 HG LEU 9 HG LEU 9 2.934 -6.344 -1.270
59 1HD1 LEU 9 1HD1 LEU 9 4.973 -6.142 -2.859
60 2HD1 LEU 9 2HD1 LEU 9 4.400 -4.493 -3.104
61 3HD1 LEU 9 3HD1 LEU 9 3.353 -5.858 -3.495
62 1HD2 LEU 9 1HD2 LEU 9 4.362 -6.092 0.483
63 2HD2 LEU 9 2HD2 LEU 9 4.988 -4.551 -0.102
64 3HD2 LEU 9 3HD2 LEU 9 5.537 -6.061 -0.832
65 H CYS 10 H CYS 10 2.013 -2.802 2.210
66 HA CYS 10 HA CYS 10 0.061 -0.846 1.337
67 1HB CYS 10 2HB CYS 10 1.565 -1.093 3.949
68 2HB CYS 10 1HB CYS 10 0.258 0.043 3.627
69 H HIS 11 H HIS 11 0.452 1.217 0.801
70 HA HIS 11 HA HIS 11 2.899 2.582 1.328
71 1HB HIS 11 2HB HIS 11 3.691 2.833 -0.976
72 2HB HIS 11 1HB HIS 11 3.693 1.139 -0.519
73 HD1 HIS 11 1HD HIS 11 3.820 1.509 -3.400
74 HD2 HIS 11 2HD HIS 11 0.161 1.572 -1.433
75 HE1 HIS 11 1HE HIS 11 2.103 0.972 -5.154
76 HA HYP 12 HA HYP 12 0.306 6.079 0.635
77 1HB HYP 12 1HB HYP 12 1.508 7.942 0.074
78 2HB HYP 12 2HB HYP 12 2.131 7.208 -1.405
79 1HD HYP 12 2HD1 HYP 12 3.894 4.807 -0.441
80 2HD HYP 12 1HD1 HYP 12 3.578 4.760 1.304
81 HOD HYP 12 2HD HYP 12 3.799 7.732 1.821
82 HG HYP 12 HG HYP 12 4.056 7.102 -0.050
83 H CYS 13 H CYS 13 -1.376 6.604 -0.647
84 HA CYS 13 HA CYS 13 -1.953 4.958 -2.877
85 1HB CYS 13 2HB CYS 13 -3.391 7.500 -2.119
86 2HB CYS 13 1HB CYS 13 -4.041 6.124 -3.000
87 1HN NH2 14 1H CYS 13 -1.385 8.457 -2.670
88 2HN NH2 14 2H CYS 13 -0.556 8.545 -4.183
Start of MODEL 20
1 1H ASN 1 1HT ASN 1 -8.632 7.890 2.361
2 2H ASN 1 2HT ASN 1 -7.183 8.767 2.425
3 3H ASN 1 3HT ASN 1 -8.019 8.416 3.849
4 HA ASN 1 HA ASN 1 -7.390 6.240 3.894
5 1HB ASN 1 2HB ASN 1 -6.803 6.491 0.928
6 2HB ASN 1 1HB ASN 1 -6.649 5.018 1.880
7 1HD2 ASN 1 1HD2 ASN 1 -8.235 3.679 1.374
8 2HD2 ASN 1 2HD2 ASN 1 -9.893 4.113 1.148
9 H GLY 2 H GLY 2 -5.405 8.091 1.555
10 1HA GLY 2 2HA GLY 2 -3.266 8.943 1.809
11 2HA GLY 2 1HA GLY 2 -3.265 8.366 3.469
12 H VAL 3 H VAL 3 -3.366 5.836 3.514
13 HA VAL 3 HA VAL 3 -1.183 4.898 1.787
14 HB VAL 3 HB VAL 3 -2.143 3.766 4.431
15 1HG1 VAL 3 1HG1 VAL 3 0.482 2.928 3.699
16 2HG1 VAL 3 2HG1 VAL 3 -0.621 2.577 2.369
17 3HG1 VAL 3 3HG1 VAL 3 -0.955 1.947 3.982
18 1HG2 VAL 3 1HG2 VAL 3 0.515 5.068 3.984
19 2HG2 VAL 3 2HG2 VAL 3 -0.366 4.811 5.491
20 3HG2 VAL 3 3HG2 VAL 3 -0.908 6.044 4.352
21 H CYS 4 H CYS 4 -1.772 3.634 0.168
22 HA CYS 4 HA CYS 4 -4.308 2.175 0.362
23 1HB CYS 4 2HB CYS 4 -2.707 3.169 -1.988
24 2HB CYS 4 1HB CYS 4 -3.949 1.940 -2.182
25 H CYS 5 H CYS 5 -3.565 0.415 1.541
26 HA CYS 5 HA CYS 5 -1.322 -1.129 0.595
27 1HB CYS 5 2HB CYS 5 -2.190 -0.870 3.045
28 2HB CYS 5 1HB CYS 5 -3.340 -2.125 2.593
29 H GLY 6 H GLY 6 -1.695 -1.966 -1.385
30 1HA GLY 6 2HA GLY 6 -4.249 -3.111 -2.095
31 2HA GLY 6 1HA GLY 6 -2.826 -3.012 -3.118
32 H TYR 7 H TYR 7 -1.901 -4.851 -3.594
33 HA TYR 7 HA TYR 7 -2.735 -7.305 -2.441
34 1HB TYR 7 2HB TYR 7 -2.179 -7.151 -4.827
35 2HB TYR 7 1HB TYR 7 -0.515 -6.742 -4.424
36 HD1 TYR 7 1HD TYR 7 -2.883 -9.387 -3.242
37 HD2 TYR 7 2HD TYR 7 0.909 -8.484 -4.945
38 HE1 TYR 7 1HE TYR 7 -2.290 -11.770 -3.171
39 HE2 TYR 7 2HE TYR 7 1.511 -10.867 -4.883
40 HH TYR 7 HH TYR 7 -0.104 -13.190 -4.833
41 H LYS 8 H LYS 8 -2.111 -6.553 -0.297
42 HA LYS 8 HA LYS 8 -0.908 -6.683 1.607
43 1HB LYS 8 2HB LYS 8 0.359 -8.600 1.987
44 2HB LYS 8 1HB LYS 8 -0.710 -9.083 0.683
45 1HG LYS 8 2HG LYS 8 1.207 -8.528 -0.890
46 2HG LYS 8 1HG LYS 8 2.219 -8.442 0.549
47 1HD LYS 8 2HD LYS 8 2.428 -10.639 -0.382
48 2HD LYS 8 1HD LYS 8 1.491 -10.766 1.107
49 1HE LYS 8 2HE LYS 8 -0.541 -11.004 -0.086
50 2HE LYS 8 1HE LYS 8 0.215 -10.529 -1.606
51 1HZ LYS 8 1HZ LYS 8 0.463 -12.690 -1.983
52 2HZ LYS 8 2HZ LYS 8 0.057 -13.108 -0.393
53 3HZ LYS 8 3HZ LYS 8 1.653 -12.699 -0.776
54 H LEU 9 H LEU 9 -0.079 -4.832 -0.547
55 HA LEU 9 HA LEU 9 2.646 -4.302 0.421
56 1HB LEU 9 2HB LEU 9 2.618 -4.878 -1.967
57 2HB LEU 9 1HB LEU 9 1.450 -3.605 -2.264
58 HG LEU 9 HG LEU 9 3.144 -1.935 -1.535
59 1HD1 LEU 9 1HD1 LEU 9 5.282 -2.463 -0.934
60 2HD1 LEU 9 2HD1 LEU 9 5.270 -3.996 -1.808
61 3HD1 LEU 9 3HD1 LEU 9 4.422 -3.852 -0.269
62 1HD2 LEU 9 1HD2 LEU 9 4.752 -2.920 -3.593
63 2HD2 LEU 9 2HD2 LEU 9 3.409 -1.786 -3.732
64 3HD2 LEU 9 3HD2 LEU 9 3.127 -3.515 -3.938
65 H CYS 10 H CYS 10 2.111 -2.957 2.086
66 HA CYS 10 HA CYS 10 0.193 -0.848 1.742
67 1HB CYS 10 2HB CYS 10 2.136 -1.466 3.974
68 2HB CYS 10 1HB CYS 10 0.991 -0.131 4.018
69 H HIS 11 H HIS 11 0.550 1.107 0.978
70 HA HIS 11 HA HIS 11 2.980 2.549 1.301
71 1HB HIS 11 2HB HIS 11 3.688 2.669 -1.024
72 2HB HIS 11 1HB HIS 11 3.663 0.981 -0.530
73 HD1 HIS 11 1HD HIS 11 1.245 -0.264 -1.260
74 HD2 HIS 11 2HD HIS 11 2.490 3.077 -3.407
75 HE1 HIS 11 1HE HIS 11 -0.017 -0.345 -3.432
76 HA HYP 12 HA HYP 12 0.164 5.894 0.742
77 1HB HYP 12 1HB HYP 12 1.373 7.807 0.477
78 2HB HYP 12 2HB HYP 12 2.080 7.253 -1.044
79 1HD HYP 12 2HD1 HYP 12 3.810 4.835 -0.348
80 2HD HYP 12 1HD1 HYP 12 3.573 4.570 1.392
81 HOD HYP 12 2HD HYP 12 3.647 7.384 2.321
82 HG HYP 12 HG HYP 12 3.946 7.064 0.382
83 H CYS 13 H CYS 13 -1.403 6.503 -0.645
84 HA CYS 13 HA CYS 13 -1.830 5.005 -2.987
85 1HB CYS 13 2HB CYS 13 -3.190 7.591 -2.228
86 2HB CYS 13 1HB CYS 13 -3.828 6.323 -3.267
87 1HN NH2 14 1H CYS 13 -1.073 8.450 -2.605
88 2HN NH2 14 2H CYS 13 -0.179 8.564 -4.077
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