Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
654064 | 7d37 RC | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 HT1 CYS 1 -1.866 5.069 3.162
2 H2 CYS 1 HT2 CYS 1 -1.737 3.563 2.404
3 H3 CYS 1 HT3 CYS 1 -3.196 4.417 2.344
4 HA CYS 1 HA CYS 1 -2.192 6.147 1.033
5 HB2 CYS 1 HB2 CYS 1 0.278 4.417 0.910
6 HB3 CYS 1 HB1 CYS 1 0.076 6.058 0.308
7 H CY1 2 HN ACM 2 -1.124 3.371 0.028
8 HA CY1 2 HA ACM 2 -2.400 2.705 -2.036
9 HB2 CY1 2 HB1 ACM 2 -1.438 0.290 -0.618
10 HB3 CY1 2 HB2 ACM 2 -1.756 0.543 -2.232
11 HD2 CY1 2 HAG ACM 2 -0.644 3.408 -2.817
12 HD3 CY1 2 HKL ACM 2 1.102 3.164 -3.320
13 HE CY1 2 HAH ACM 2 -0.377 0.859 -3.814
14 HM1 CY1 2 HAJ ACM 2 -1.486 0.433 -5.809
15 HM2 CY1 2 HKM ACM 2 -0.042 0.763 -6.797
16 HM3 CY1 2 HKN ACM 2 -1.543 1.673 -7.086
17 H GLU 3 HN GLU 3 -3.079 0.095 0.244
18 HA GLU 3 HA GLU 3 -5.972 0.591 0.077
19 HB2 GLU 3 HB2 GLU 3 -4.551 -1.927 -0.789
20 HB3 GLU 3 HB1 GLU 3 -6.258 -1.926 -0.335
21 HG2 GLU 3 HG2 GLU 3 -6.711 -0.286 -2.100
22 HG3 GLU 3 HG1 GLU 3 -5.010 -0.323 -2.562
23 H LEU 4 HN LEU 4 -3.543 -1.647 1.483
24 HA LEU 4 HA LEU 4 -4.854 -1.372 4.047
25 HB2 LEU 4 HB2 LEU 4 -4.056 -3.994 2.827
26 HB3 LEU 4 HB1 LEU 4 -4.537 -3.802 4.500
27 HG LEU 4 HG LEU 4 -6.454 -2.921 2.394
28 HD11 LEU 4 HD11 LEU 4 -5.701 -5.069 1.551
29 HD12 LEU 4 HD12 LEU 4 -7.335 -5.202 2.201
30 HD13 LEU 4 HD13 LEU 4 -5.964 -5.802 3.133
31 HD21 LEU 4 HD21 LEU 4 -6.972 -2.583 4.757
32 HD22 LEU 4 HD22 LEU 4 -6.762 -4.308 5.057
33 HD23 LEU 4 HD23 LEU 4 -8.079 -3.746 4.027
34 H CYS 5 HN CYS 5 -2.586 -0.115 3.049
35 HA CYS 5 HA CYS 5 -1.054 -0.231 5.298
36 HB2 CYS 5 HB2 CYS 5 -0.579 -2.259 3.452
37 HB3 CYS 5 HB1 CYS 5 0.770 -1.128 3.241
38 H CYS 6 HN CYS 6 1.334 0.373 3.862
39 HA CYS 6 HA CYS 6 0.753 2.432 2.036
40 HB2 CYS 6 HB2 CYS 6 0.581 3.645 4.214
41 HB3 CYS 6 HB1 CYS 6 2.239 3.178 4.578
42 H ASN 7 HN ASN 7 1.650 0.620 1.070
43 HA ASN 7 HA ASN 7 4.515 0.235 1.072
44 HB2 ASN 7 HB2 ASN 7 2.117 -0.936 -0.200
45 HB3 ASN 7 HB1 ASN 7 3.707 -1.233 -0.925
46 HD21 ASN 7 HD21 ASN 7 5.188 -2.506 0.155
47 HD22 ASN 7 HD22 ASN 7 4.771 -3.466 1.529
48 HA PRO 8 HA PRO 8 5.067 3.015 -2.386
49 HB2 PRO 8 HB2 PRO 8 7.661 2.478 -3.030
50 HB3 PRO 8 HB1 PRO 8 7.226 3.449 -1.616
51 HG2 PRO 8 HG2 PRO 8 8.107 0.614 -1.748
52 HG3 PRO 8 HG1 PRO 8 8.411 1.832 -0.497
53 HD2 PRO 8 HD2 PRO 8 6.513 -0.186 -0.318
54 HD3 PRO 8 HD1 PRO 8 6.512 1.306 0.640
55 H ALA 9 HN ALA 9 3.583 2.028 -3.354
56 HA ALA 9 HA ALA 9 2.578 1.294 -5.092
57 HB1 ALA 9 HB1 ALA 9 3.700 0.924 -7.219
58 HB2 ALA 9 HB2 ALA 9 5.255 0.855 -6.390
59 HB3 ALA 9 HB3 ALA 9 4.333 2.358 -6.411
60 H CY1 10 HN ACM 10 3.581 -0.684 -2.917
61 HA CY1 10 HA ACM 10 3.782 -3.152 -4.486
62 HB2 CY1 10 HB1 ACM 10 5.072 -2.611 -2.173
63 HB3 CY1 10 HB2 ACM 10 3.536 -2.803 -1.582
64 HD2 CY1 10 HAG ACM 10 5.559 -6.357 -3.973
65 HD3 CY1 10 HKL ACM 10 6.049 -4.654 -4.108
66 HE CY1 10 HAH ACM 10 3.319 -5.579 -4.814
67 HM1 CY1 10 HAJ ACM 10 3.307 -5.070 -7.764
68 HM2 CY1 10 HKM ACM 10 3.303 -3.301 -7.561
69 HM3 CY1 10 HKN ACM 10 2.317 -4.320 -6.488
70 H THR 11 HN THR 11 1.960 -1.978 -1.802
71 HA THR 11 HA THR 11 -0.090 -2.172 -1.039
72 HB THR 11 HB THR 11 -1.063 -3.039 -3.683
73 HG1 THR 11 HG1 THR 11 0.254 -0.862 -3.292
74 HG21 THR 11 HG21 THR 11 -2.813 -3.163 -2.074
75 HG22 THR 11 HG22 THR 11 -3.096 -1.695 -3.010
76 HG23 THR 11 HG23 THR 11 -2.375 -1.592 -1.405
77 H GLY 12 HN GLY 12 0.886 -3.699 0.162
78 HA2 GLY 12 HA2 GLY 12 -0.796 -5.907 0.529
79 HA3 GLY 12 HA1 GLY 12 0.634 -6.378 -0.340
80 H CYS 13 HN CYS 13 0.769 -3.946 1.889
81 HA CYS 13 HA CYS 13 1.939 -3.514 3.782
82 HB2 CYS 13 HB2 CYS 13 0.468 -6.015 4.382
83 HB3 CYS 13 HB1 CYS 13 1.750 -5.571 5.504
Start of MODEL 2
1 H1 CYS 1 HT1 CYS 1 -3.211 4.428 2.175
2 H2 CYS 1 HT2 CYS 1 -1.887 5.083 2.998
3 H3 CYS 1 HT3 CYS 1 -1.776 3.542 2.310
4 HA CYS 1 HA CYS 1 -2.122 6.080 0.822
5 HB2 CYS 1 HB2 CYS 1 0.287 4.263 0.818
6 HB3 CYS 1 HB1 CYS 1 0.155 5.885 0.151
7 H CY1 2 HN ACM 2 -1.152 3.278 -0.073
8 HA CY1 2 HA ACM 2 -2.436 2.538 -2.102
9 HB2 CY1 2 HB1 ACM 2 -1.437 0.170 -0.631
10 HB3 CY1 2 HB2 ACM 2 -1.759 0.387 -2.249
11 HD2 CY1 2 HAG ACM 2 -0.110 1.964 -3.878
12 HD3 CY1 2 HKL ACM 2 -0.564 3.423 -2.865
13 HE CY1 2 HAH ACM 2 2.180 2.891 -2.708
14 HM1 CY1 2 HAJ ACM 2 3.173 5.502 -3.788
15 HM2 CY1 2 HKM ACM 2 3.217 4.905 -5.465
16 HM3 CY1 2 HKN ACM 2 3.741 3.849 -4.134
17 H GLU 3 HN GLU 3 -3.093 0.163 0.461
18 HA GLU 3 HA GLU 3 -5.983 0.471 0.077
19 HB2 GLU 3 HB2 GLU 3 -4.801 -1.396 -1.408
20 HB3 GLU 3 HB1 GLU 3 -4.921 -2.327 0.089
21 HG2 GLU 3 HG2 GLU 3 -7.333 -1.993 0.115
22 HG3 GLU 3 HG1 GLU 3 -7.226 -1.025 -1.355
23 H LEU 4 HN LEU 4 -3.656 -1.678 1.777
24 HA LEU 4 HA LEU 4 -4.842 -0.929 4.301
25 HB2 LEU 4 HB2 LEU 4 -4.499 -3.771 3.390
26 HB3 LEU 4 HB1 LEU 4 -4.807 -3.325 5.056
27 HG LEU 4 HG LEU 4 -6.747 -2.391 2.997
28 HD11 LEU 4 HD11 LEU 4 -7.957 -4.521 3.117
29 HD12 LEU 4 HD12 LEU 4 -6.612 -5.226 4.014
30 HD13 LEU 4 HD13 LEU 4 -6.381 -4.700 2.346
31 HD21 LEU 4 HD21 LEU 4 -7.030 -3.450 5.810
32 HD22 LEU 4 HD22 LEU 4 -8.330 -2.790 4.818
33 HD23 LEU 4 HD23 LEU 4 -7.007 -1.749 5.342
34 H CYS 5 HN CYS 5 -2.626 0.078 3.331
35 HA CYS 5 HA CYS 5 -0.945 -0.126 5.447
36 HB2 CYS 5 HB2 CYS 5 -0.700 -2.189 3.568
37 HB3 CYS 5 HB1 CYS 5 0.709 -1.137 3.319
38 H CYS 6 HN CYS 6 1.373 0.357 3.887
39 HA CYS 6 HA CYS 6 0.799 2.390 2.029
40 HB2 CYS 6 HB2 CYS 6 0.743 3.642 4.211
41 HB3 CYS 6 HB1 CYS 6 2.422 3.184 4.469
42 H ASN 7 HN ASN 7 1.614 0.526 1.086
43 HA ASN 7 HA ASN 7 4.448 0.020 1.023
44 HB2 ASN 7 HB2 ASN 7 1.987 -0.991 -0.287
45 HB3 ASN 7 HB1 ASN 7 3.558 -1.354 -1.013
46 HD21 ASN 7 HD21 ASN 7 2.830 -1.095 2.439
47 HD22 ASN 7 HD22 ASN 7 3.170 -2.746 2.817
48 HA PRO 8 HA PRO 8 5.119 2.928 -2.317
49 HB2 PRO 8 HB2 PRO 8 7.707 2.331 -2.940
50 HB3 PRO 8 HB1 PRO 8 7.278 3.280 -1.508
51 HG2 PRO 8 HG2 PRO 8 8.075 0.423 -1.698
52 HG3 PRO 8 HG1 PRO 8 8.399 1.602 -0.414
53 HD2 PRO 8 HD2 PRO 8 6.445 -0.359 -0.298
54 HD3 PRO 8 HD1 PRO 8 6.463 1.119 0.681
55 H ALA 9 HN ALA 9 3.641 2.066 -3.369
56 HA ALA 9 HA ALA 9 2.627 1.367 -5.118
57 HB1 ALA 9 HB1 ALA 9 5.319 0.947 -6.397
58 HB2 ALA 9 HB2 ALA 9 4.405 2.455 -6.389
59 HB3 ALA 9 HB3 ALA 9 3.776 1.049 -7.246
60 H CY1 10 HN ACM 10 3.548 -0.662 -2.994
61 HA CY1 10 HA ACM 10 3.777 -3.092 -4.618
62 HB2 CY1 10 HB1 ACM 10 5.077 -2.562 -2.278
63 HB3 CY1 10 HB2 ACM 10 3.557 -2.898 -1.708
64 HD2 CY1 10 HAG ACM 10 5.226 -4.752 -0.221
65 HD3 CY1 10 HKL ACM 10 6.608 -4.371 -1.272
66 HE CY1 10 HAH ACM 10 5.891 -7.081 -1.622
67 HM1 CY1 10 HAJ ACM 10 8.575 -8.326 0.364
68 HM2 CY1 10 HKM ACM 10 7.490 -8.637 -1.014
69 HM3 CY1 10 HKN ACM 10 6.879 -8.787 0.650
70 H THR 11 HN THR 11 1.995 -2.017 -1.873
71 HA THR 11 HA THR 11 -0.077 -2.171 -1.134
72 HB THR 11 HB THR 11 -1.033 -3.060 -3.776
73 HG1 THR 11 HG1 THR 11 -1.480 -0.666 -3.981
74 HG21 THR 11 HG21 THR 11 -2.803 -3.251 -2.222
75 HG22 THR 11 HG22 THR 11 -3.097 -1.734 -3.073
76 HG23 THR 11 HG23 THR 11 -2.384 -1.718 -1.460
77 H GLY 12 HN GLY 12 0.845 -3.659 0.110
78 HA2 GLY 12 HA2 GLY 12 -0.779 -5.902 0.452
79 HA3 GLY 12 HA1 GLY 12 0.669 -6.353 -0.401
80 H CYS 13 HN CYS 13 0.699 -3.911 1.836
81 HA CYS 13 HA CYS 13 1.823 -3.448 3.749
82 HB2 CYS 13 HB2 CYS 13 0.444 -6.002 4.298
83 HB3 CYS 13 HB1 CYS 13 1.728 -5.570 5.422
Start of MODEL 3
1 H1 CYS 1 HT1 CYS 1 -3.394 4.069 2.692
2 H2 CYS 1 HT2 CYS 1 -2.238 4.626 3.795
3 H3 CYS 1 HT3 CYS 1 -1.890 3.302 2.802
4 HA CYS 1 HA CYS 1 -2.376 6.071 1.872
5 HB2 CYS 1 HB2 CYS 1 0.227 4.549 1.772
6 HB3 CYS 1 HB1 CYS 1 -0.039 6.265 1.488
7 H CY1 2 HN ACM 2 -0.937 3.544 0.569
8 HA CY1 2 HA ACM 2 -1.878 3.277 -1.771
9 HB2 CY1 2 HB1 ACM 2 0.105 1.846 -0.818
10 HB3 CY1 2 HB2 ACM 2 -1.140 0.839 -0.347
11 HD2 CY1 2 HAG ACM 2 0.855 2.415 -3.382
12 HD3 CY1 2 HKL ACM 2 0.003 1.814 -4.889
13 HE CY1 2 HAH ACM 2 -1.136 3.577 -2.836
14 HM1 CY1 2 HAJ ACM 2 -3.430 4.805 -5.271
15 HM2 CY1 2 HKM ACM 2 -2.064 5.772 -4.662
16 HM3 CY1 2 HKN ACM 2 -2.997 4.751 -3.544
17 H GLU 3 HN GLU 3 -2.874 0.595 0.364
18 HA GLU 3 HA GLU 3 -5.646 0.835 -0.465
19 HB2 GLU 3 HB2 GLU 3 -4.228 -0.685 -2.126
20 HB3 GLU 3 HB1 GLU 3 -4.484 -1.896 -0.865
21 HG2 GLU 3 HG2 GLU 3 -6.899 -1.601 -1.071
22 HG3 GLU 3 HG1 GLU 3 -6.649 -0.378 -2.316
23 H LEU 4 HN LEU 4 -3.398 -1.474 1.122
24 HA LEU 4 HA LEU 4 -4.981 -1.330 3.528
25 HB2 LEU 4 HB2 LEU 4 -4.841 -3.819 3.836
26 HB3 LEU 4 HB1 LEU 4 -5.943 -3.282 2.586
27 HG LEU 4 HG LEU 4 -3.789 -3.691 1.058
28 HD11 LEU 4 HD11 LEU 4 -2.594 -5.694 1.780
29 HD12 LEU 4 HD12 LEU 4 -3.464 -5.665 3.314
30 HD13 LEU 4 HD13 LEU 4 -2.349 -4.361 2.909
31 HD21 LEU 4 HD21 LEU 4 -4.710 -5.905 0.542
32 HD22 LEU 4 HD22 LEU 4 -5.977 -4.690 0.715
33 HD23 LEU 4 HD23 LEU 4 -5.674 -5.841 2.017
34 H CYS 5 HN CYS 5 -2.625 -0.131 2.886
35 HA CYS 5 HA CYS 5 -1.296 -0.449 5.236
36 HB2 CYS 5 HB2 CYS 5 -0.722 -2.393 3.348
37 HB3 CYS 5 HB1 CYS 5 0.655 -1.285 3.262
38 H CYS 6 HN CYS 6 1.231 0.145 3.939
39 HA CYS 6 HA CYS 6 0.740 2.363 2.292
40 HB2 CYS 6 HB2 CYS 6 2.101 2.759 4.969
41 HB3 CYS 6 HB1 CYS 6 2.198 3.940 3.667
42 H ASN 7 HN ASN 7 1.534 0.630 1.154
43 HA ASN 7 HA ASN 7 4.427 0.310 1.026
44 HB2 ASN 7 HB2 ASN 7 2.017 -1.037 -0.030
45 HB3 ASN 7 HB1 ASN 7 3.542 -1.225 -0.907
46 HD21 ASN 7 HD21 ASN 7 1.917 -1.751 2.144
47 HD22 ASN 7 HD22 ASN 7 2.988 -2.973 2.729
48 HA PRO 8 HA PRO 8 4.424 3.194 -2.421
49 HB2 PRO 8 HB2 PRO 8 7.090 3.176 -2.989
50 HB3 PRO 8 HB1 PRO 8 6.423 4.081 -1.623
51 HG2 PRO 8 HG2 PRO 8 7.884 1.498 -1.627
52 HG3 PRO 8 HG1 PRO 8 7.870 2.784 -0.408
53 HD2 PRO 8 HD2 PRO 8 6.441 0.404 -0.237
54 HD3 PRO 8 HD1 PRO 8 6.100 1.876 0.691
55 H ALA 9 HN ALA 9 3.214 1.989 -3.474
56 HA ALA 9 HA ALA 9 2.470 1.089 -5.274
57 HB1 ALA 9 HB1 ALA 9 5.289 0.905 -6.307
58 HB2 ALA 9 HB2 ALA 9 4.205 2.282 -6.505
59 HB3 ALA 9 HB3 ALA 9 3.819 0.741 -7.269
60 H CY1 10 HN ACM 10 3.490 -0.641 -2.906
61 HA CY1 10 HA ACM 10 4.028 -3.150 -4.323
62 HB2 CY1 10 HB1 ACM 10 5.228 -2.349 -2.025
63 HB3 CY1 10 HB2 ACM 10 3.723 -2.731 -1.446
64 HD2 CY1 10 HAG ACM 10 6.700 -4.339 -3.715
65 HD3 CY1 10 HKL ACM 10 5.178 -4.820 -4.498
66 HE CY1 10 HAH ACM 10 6.122 -6.981 -2.958
67 HM1 CY1 10 HAJ ACM 10 6.716 -8.887 -4.133
68 HM2 CY1 10 HKM ACM 10 8.422 -8.399 -4.284
69 HM3 CY1 10 HKN ACM 10 7.467 -8.752 -5.742
70 H THR 11 HN THR 11 2.113 -2.129 -1.739
71 HA THR 11 HA THR 11 0.039 -2.329 -1.004
72 HB THR 11 HB THR 11 -0.910 -1.296 -2.966
73 HG1 THR 11 HG1 THR 11 -2.961 -2.493 -3.004
74 HG21 THR 11 HG21 THR 11 -1.693 -2.582 -4.911
75 HG22 THR 11 HG22 THR 11 -0.947 -4.035 -4.246
76 HG23 THR 11 HG23 THR 11 0.060 -2.674 -4.738
77 H GLY 12 HN GLY 12 0.961 -3.859 0.137
78 HA2 GLY 12 HA2 GLY 12 -0.643 -6.158 0.310
79 HA3 GLY 12 HA1 GLY 12 0.877 -6.510 -0.460
80 H CYS 13 HN CYS 13 0.714 -4.155 1.836
81 HA CYS 13 HA CYS 13 1.751 -3.712 3.799
82 HB2 CYS 13 HB2 CYS 13 0.258 -6.225 4.264
83 HB3 CYS 13 HB1 CYS 13 1.448 -5.790 5.488
Start of MODEL 4
1 H1 CYS 1 HT1 CYS 1 -2.265 4.359 2.282
2 H2 CYS 1 HT2 CYS 1 -3.522 5.224 1.553
3 H3 CYS 1 HT3 CYS 1 -2.312 6.046 2.401
4 HA CYS 1 HA CYS 1 -1.997 6.255 0.022
5 HB2 CYS 1 HB2 CYS 1 0.204 4.412 0.812
6 HB3 CYS 1 HB1 CYS 1 0.288 6.023 0.113
7 H CY1 2 HN ACM 2 -1.135 3.329 0.206
8 HA CY1 2 HA ACM 2 -2.302 1.930 -1.576
9 HB2 CY1 2 HB1 ACM 2 -1.220 0.290 0.650
10 HB3 CY1 2 HB2 ACM 2 -1.531 -0.124 -0.930
11 HD2 CY1 2 HAG ACM 2 1.312 1.674 -2.967
12 HD3 CY1 2 HKL ACM 2 0.117 0.285 -2.931
13 HE CY1 2 HAH ACM 2 -1.054 2.747 -2.204
14 HM1 CY1 2 HAJ ACM 2 -2.102 4.132 -3.822
15 HM2 CY1 2 HKM ACM 2 -3.213 2.792 -4.198
16 HM3 CY1 2 HKN ACM 2 -2.260 3.545 -5.496
17 H GLU 3 HN GLU 3 -3.327 -0.490 -1.080
18 HA GLU 3 HA GLU 3 -5.900 -0.239 -0.259
19 HB2 GLU 3 HB2 GLU 3 -4.265 -2.749 -0.622
20 HB3 GLU 3 HB1 GLU 3 -5.997 -2.801 -0.274
21 HG2 GLU 3 HG2 GLU 3 -4.911 -1.238 -2.595
22 HG3 GLU 3 HG1 GLU 3 -5.235 -2.966 -2.717
23 H LEU 4 HN LEU 4 -3.372 -1.935 1.636
24 HA LEU 4 HA LEU 4 -4.754 -1.261 4.067
25 HB2 LEU 4 HB2 LEU 4 -4.103 -4.104 3.346
26 HB3 LEU 4 HB1 LEU 4 -4.525 -3.591 4.967
27 HG LEU 4 HG LEU 4 -6.449 -3.016 2.758
28 HD11 LEU 4 HD11 LEU 4 -7.462 -5.230 3.044
29 HD12 LEU 4 HD12 LEU 4 -6.107 -5.711 4.064
30 HD13 LEU 4 HD13 LEU 4 -5.839 -5.333 2.363
31 HD21 LEU 4 HD21 LEU 4 -8.076 -3.391 4.547
32 HD22 LEU 4 HD22 LEU 4 -6.885 -2.176 5.011
33 HD23 LEU 4 HD23 LEU 4 -6.768 -3.815 5.652
34 H CYS 5 HN CYS 5 -2.571 -0.111 3.102
35 HA CYS 5 HA CYS 5 -0.974 -0.102 5.311
36 HB2 CYS 5 HB2 CYS 5 -0.487 -2.176 3.507
37 HB3 CYS 5 HB1 CYS 5 0.826 -1.014 3.246
38 H CYS 6 HN CYS 6 1.355 0.527 3.823
39 HA CYS 6 HA CYS 6 0.708 2.490 1.916
40 HB2 CYS 6 HB2 CYS 6 1.769 3.300 4.611
41 HB3 CYS 6 HB1 CYS 6 2.217 4.243 3.195
42 H ASN 7 HN ASN 7 1.671 0.672 1.025
43 HA ASN 7 HA ASN 7 4.550 0.407 1.040
44 HB2 ASN 7 HB2 ASN 7 2.199 -0.949 -0.105
45 HB3 ASN 7 HB1 ASN 7 3.762 -1.166 -0.913
46 HD21 ASN 7 HD21 ASN 7 5.359 -2.344 0.081
47 HD22 ASN 7 HD22 ASN 7 5.098 -3.269 1.516
48 HA PRO 8 HA PRO 8 4.995 3.051 -2.530
49 HB2 PRO 8 HB2 PRO 8 7.587 2.538 -3.202
50 HB3 PRO 8 HB1 PRO 8 7.158 3.550 -1.815
51 HG2 PRO 8 HG2 PRO 8 8.086 0.727 -1.864
52 HG3 PRO 8 HG1 PRO 8 8.394 1.994 -0.663
53 HD2 PRO 8 HD2 PRO 8 6.536 -0.045 -0.370
54 HD3 PRO 8 HD1 PRO 8 6.521 1.485 0.526
55 H ALA 9 HN ALA 9 3.516 2.019 -3.444
56 HA ALA 9 HA ALA 9 2.492 1.207 -5.137
57 HB1 ALA 9 HB1 ALA 9 4.208 2.247 -6.527
58 HB2 ALA 9 HB2 ALA 9 3.589 0.772 -7.268
59 HB3 ALA 9 HB3 ALA 9 5.157 0.761 -6.461
60 H CY1 10 HN ACM 10 3.567 -0.670 -2.912
61 HA CY1 10 HA ACM 10 3.793 -3.199 -4.394
62 HB2 CY1 10 HB1 ACM 10 5.145 -2.524 -2.138
63 HB3 CY1 10 HB2 ACM 10 3.638 -2.774 -1.496
64 HD2 CY1 10 HAG ACM 10 4.852 -4.965 -4.611
65 HD3 CY1 10 HKL ACM 10 5.805 -6.262 -3.856
66 HE CY1 10 HAH ACM 10 6.755 -3.742 -4.635
67 HM1 CY1 10 HAJ ACM 10 8.688 -2.555 -2.663
68 HM2 CY1 10 HKM ACM 10 9.003 -3.324 -4.238
69 HM3 CY1 10 HKN ACM 10 9.787 -3.952 -2.771
70 H THR 11 HN THR 11 2.075 -2.041 -1.744
71 HA THR 11 HA THR 11 0.001 -1.963 -0.969
72 HB THR 11 HB THR 11 -0.912 -0.966 -2.981
73 HG1 THR 11 HG1 THR 11 -2.990 -1.533 -2.595
74 HG21 THR 11 HG21 THR 11 -1.257 -3.773 -4.055
75 HG22 THR 11 HG22 THR 11 -0.143 -2.555 -4.676
76 HG23 THR 11 HG23 THR 11 -1.884 -2.302 -4.800
77 H GLY 12 HN GLY 12 0.753 -3.468 0.281
78 HA2 GLY 12 HA2 GLY 12 -0.985 -5.567 0.735
79 HA3 GLY 12 HA1 GLY 12 0.340 -6.166 -0.220
80 H CYS 13 HN CYS 13 0.755 -3.734 2.005
81 HA CYS 13 HA CYS 13 2.059 -3.376 3.820
82 HB2 CYS 13 HB2 CYS 13 0.581 -5.865 4.496
83 HB3 CYS 13 HB1 CYS 13 1.911 -5.400 5.551
Start of MODEL 5
1 H1 CYS 1 HT1 CYS 1 -4.021 5.379 1.589
2 H2 CYS 1 HT2 CYS 1 -3.163 5.405 3.047
3 H3 CYS 1 HT3 CYS 1 -3.429 3.937 2.249
4 HA CYS 1 HA CYS 1 -1.801 6.186 1.225
5 HB2 CYS 1 HB2 CYS 1 -1.001 3.508 2.375
6 HB3 CYS 1 HB1 CYS 1 0.108 4.612 1.569
7 H CY1 2 HN ACM 2 -1.439 3.555 0.208
8 HA CY1 2 HA ACM 2 -2.487 3.061 -2.073
9 HB2 CY1 2 HB1 ACM 2 -0.246 1.997 -1.212
10 HB3 CY1 2 HB2 ACM 2 -1.287 0.840 -0.607
11 HD2 CY1 2 HAG ACM 2 -0.821 1.683 -5.253
12 HD3 CY1 2 HKL ACM 2 -1.728 2.801 -4.118
13 HE CY1 2 HAH ACM 2 1.143 2.193 -4.000
14 HM1 CY1 2 HAJ ACM 2 2.165 5.014 -4.109
15 HM2 CY1 2 HKM ACM 2 2.380 3.779 -2.844
16 HM3 CY1 2 HKN ACM 2 1.662 5.353 -2.434
17 H GLU 3 HN GLU 3 -2.911 0.394 0.246
18 HA GLU 3 HA GLU 3 -5.758 0.193 -0.428
19 HB2 GLU 3 HB2 GLU 3 -4.090 -1.327 -1.854
20 HB3 GLU 3 HB1 GLU 3 -4.213 -2.364 -0.429
21 HG2 GLU 3 HG2 GLU 3 -6.621 -2.476 -0.688
22 HG3 GLU 3 HG1 GLU 3 -6.548 -1.370 -2.058
23 H LEU 4 HN LEU 4 -3.265 -1.649 1.413
24 HA LEU 4 HA LEU 4 -4.713 -1.209 3.858
25 HB2 LEU 4 HB2 LEU 4 -4.214 -3.954 2.755
26 HB3 LEU 4 HB1 LEU 4 -4.578 -3.667 4.445
27 HG LEU 4 HG LEU 4 -6.504 -2.604 2.446
28 HD11 LEU 4 HD11 LEU 4 -7.626 -4.787 2.296
29 HD12 LEU 4 HD12 LEU 4 -6.256 -5.533 3.120
30 HD13 LEU 4 HD13 LEU 4 -6.037 -4.797 1.532
31 HD21 LEU 4 HD21 LEU 4 -6.807 -4.001 5.105
32 HD22 LEU 4 HD22 LEU 4 -8.108 -3.272 4.163
33 HD23 LEU 4 HD23 LEU 4 -6.837 -2.256 4.845
34 H CYS 5 HN CYS 5 -2.455 -0.058 3.137
35 HA CYS 5 HA CYS 5 -0.950 -0.382 5.380
36 HB2 CYS 5 HB2 CYS 5 -0.477 -2.286 3.411
37 HB3 CYS 5 HB1 CYS 5 0.878 -1.154 3.277
38 H CYS 6 HN CYS 6 1.471 0.279 4.023
39 HA CYS 6 HA CYS 6 0.949 2.480 2.363
40 HB2 CYS 6 HB2 CYS 6 2.399 3.007 4.979
41 HB3 CYS 6 HB1 CYS 6 2.177 4.185 3.692
42 H ASN 7 HN ASN 7 1.807 0.779 1.253
43 HA ASN 7 HA ASN 7 4.722 0.595 1.176
44 HB2 ASN 7 HB2 ASN 7 2.422 -0.992 0.234
45 HB3 ASN 7 HB1 ASN 7 3.984 -1.155 -0.586
46 HD21 ASN 7 HD21 ASN 7 2.257 -1.611 2.397
47 HD22 ASN 7 HD22 ASN 7 3.411 -2.656 3.145
48 HA PRO 8 HA PRO 8 4.633 3.176 -2.451
49 HB2 PRO 8 HB2 PRO 8 7.242 2.982 -3.215
50 HB3 PRO 8 HB1 PRO 8 6.732 3.984 -1.849
51 HG2 PRO 8 HG2 PRO 8 8.019 1.304 -1.835
52 HG3 PRO 8 HG1 PRO 8 8.211 2.655 -0.702
53 HD2 PRO 8 HD2 PRO 8 6.654 0.418 -0.227
54 HD3 PRO 8 HD1 PRO 8 6.458 1.982 0.585
55 H ALA 9 HN ALA 9 3.288 2.021 -3.360
56 HA ALA 9 HA ALA 9 2.348 1.072 -5.036
57 HB1 ALA 9 HB1 ALA 9 5.053 0.803 -6.325
58 HB2 ALA 9 HB2 ALA 9 3.992 2.207 -6.439
59 HB3 ALA 9 HB3 ALA 9 3.495 0.668 -7.142
60 H CY1 10 HN ACM 10 3.594 -0.674 -2.732
61 HA CY1 10 HA ACM 10 4.078 -3.186 -4.138
62 HB2 CY1 10 HB1 ACM 10 5.121 -2.446 -1.785
63 HB3 CY1 10 HB2 ACM 10 3.556 -2.696 -1.295
64 HD2 CY1 10 HAG ACM 10 4.601 -4.354 0.574
65 HD3 CY1 10 HKL ACM 10 6.254 -4.211 -0.060
66 HE CY1 10 HAH ACM 10 6.085 -6.222 1.276
67 HM1 CY1 10 HAJ ACM 10 5.936 -9.324 -0.453
68 HM2 CY1 10 HKM ACM 10 4.881 -8.951 0.932
69 HM3 CY1 10 HKN ACM 10 6.584 -8.442 0.951
70 H THR 11 HN THR 11 1.948 -2.088 -1.753
71 HA THR 11 HA THR 11 -0.161 -2.303 -1.166
72 HB THR 11 HB THR 11 -0.964 -1.368 -3.245
73 HG1 THR 11 HG1 THR 11 -2.386 -2.748 -1.707
74 HG21 THR 11 HG21 THR 11 -0.890 -4.167 -4.390
75 HG22 THR 11 HG22 THR 11 0.148 -2.823 -4.868
76 HG23 THR 11 HG23 THR 11 -1.587 -2.751 -5.178
77 H GLY 12 HN GLY 12 0.703 -3.768 0.109
78 HA2 GLY 12 HA2 GLY 12 -0.891 -5.982 0.493
79 HA3 GLY 12 HA1 GLY 12 0.486 -6.486 -0.443
80 H CYS 13 HN CYS 13 0.715 -4.063 1.817
81 HA CYS 13 HA CYS 13 1.994 -3.646 3.638
82 HB2 CYS 13 HB2 CYS 13 0.572 -6.171 4.302
83 HB3 CYS 13 HB1 CYS 13 1.863 -5.658 5.383
Start of MODEL 6
1 H1 CYS 1 HT1 CYS 1 -2.200 4.935 3.297
2 H2 CYS 1 HT2 CYS 1 -1.999 3.442 2.527
3 H3 CYS 1 HT3 CYS 1 -3.482 4.249 2.430
4 HA CYS 1 HA CYS 1 -2.500 6.025 1.169
5 HB2 CYS 1 HB2 CYS 1 0.038 4.395 1.082
6 HB3 CYS 1 HB1 CYS 1 -0.210 6.049 0.537
7 H CY1 2 HN ACM 2 -1.241 3.490 0.011
8 HA CY1 2 HA ACM 2 -2.269 2.587 -1.988
9 HB2 CY1 2 HB1 ACM 2 -1.448 0.183 -0.465
10 HB3 CY1 2 HB2 ACM 2 -1.641 0.416 -2.100
11 HD2 CY1 2 HAG ACM 2 1.469 2.485 -3.187
12 HD3 CY1 2 HKL ACM 2 -0.221 1.896 -3.584
13 HE CY1 2 HAH ACM 2 -0.467 3.849 -1.690
14 HM1 CY1 2 HAJ ACM 2 -1.092 6.497 -3.993
15 HM2 CY1 2 HKM ACM 2 0.125 6.626 -2.700
16 HM3 CY1 2 HKN ACM 2 -1.434 5.836 -2.376
17 H GLU 3 HN GLU 3 -3.114 0.103 0.347
18 HA GLU 3 HA GLU 3 -5.999 0.574 0.032
19 HB2 GLU 3 HB2 GLU 3 -4.519 -1.959 -0.682
20 HB3 GLU 3 HB1 GLU 3 -6.239 -1.973 -0.276
21 HG2 GLU 3 HG2 GLU 3 -6.652 -0.384 -2.112
22 HG3 GLU 3 HG1 GLU 3 -4.944 -0.465 -2.541
23 H LEU 4 HN LEU 4 -3.566 -1.502 1.640
24 HA LEU 4 HA LEU 4 -4.895 -1.092 4.162
25 HB2 LEU 4 HB2 LEU 4 -4.216 -3.837 3.149
26 HB3 LEU 4 HB1 LEU 4 -4.758 -3.484 4.777
27 HG LEU 4 HG LEU 4 -6.787 -2.429 3.263
28 HD11 LEU 4 HD11 LEU 4 -5.610 -3.531 1.283
29 HD12 LEU 4 HD12 LEU 4 -7.330 -3.854 1.492
30 HD13 LEU 4 HD13 LEU 4 -6.141 -5.062 1.980
31 HD21 LEU 4 HD21 LEU 4 -6.543 -5.219 4.381
32 HD22 LEU 4 HD22 LEU 4 -8.052 -4.405 3.971
33 HD23 LEU 4 HD23 LEU 4 -7.037 -3.778 5.270
34 H CYS 5 HN CYS 5 -2.598 0.003 3.097
35 HA CYS 5 HA CYS 5 -1.017 -0.128 5.321
36 HB2 CYS 5 HB2 CYS 5 -0.679 -2.182 3.465
37 HB3 CYS 5 HB1 CYS 5 0.720 -1.115 3.239
38 H CYS 6 HN CYS 6 1.352 0.377 3.830
39 HA CYS 6 HA CYS 6 0.830 2.421 1.973
40 HB2 CYS 6 HB2 CYS 6 2.095 3.140 4.631
41 HB3 CYS 6 HB1 CYS 6 2.289 4.147 3.200
42 H ASN 7 HN ASN 7 1.686 0.596 1.037
43 HA ASN 7 HA ASN 7 4.546 0.167 1.051
44 HB2 ASN 7 HB2 ASN 7 2.155 -0.974 -0.281
45 HB3 ASN 7 HB1 ASN 7 3.779 -1.354 -0.884
46 HD21 ASN 7 HD21 ASN 7 5.182 -2.557 0.419
47 HD22 ASN 7 HD22 ASN 7 4.613 -3.481 1.764
48 HA PRO 8 HA PRO 8 5.138 2.963 -2.385
49 HB2 PRO 8 HB2 PRO 8 7.736 2.406 -3.004
50 HB3 PRO 8 HB1 PRO 8 7.290 3.394 -1.605
51 HG2 PRO 8 HG2 PRO 8 8.152 0.551 -1.696
52 HG3 PRO 8 HG1 PRO 8 8.458 1.784 -0.459
53 HD2 PRO 8 HD2 PRO 8 6.552 -0.213 -0.250
54 HD3 PRO 8 HD1 PRO 8 6.534 1.307 0.662
55 H ALA 9 HN ALA 9 3.681 2.051 -3.414
56 HA ALA 9 HA ALA 9 2.681 1.297 -5.144
57 HB1 ALA 9 HB1 ALA 9 5.376 0.886 -6.419
58 HB2 ALA 9 HB2 ALA 9 4.441 2.381 -6.437
59 HB3 ALA 9 HB3 ALA 9 3.829 0.949 -7.264
60 H CY1 10 HN ACM 10 3.665 -0.685 -2.974
61 HA CY1 10 HA ACM 10 3.883 -3.144 -4.557
62 HB2 CY1 10 HB1 ACM 10 5.163 -2.593 -2.219
63 HB3 CY1 10 HB2 ACM 10 3.629 -2.869 -1.649
64 HD2 CY1 10 HAG ACM 10 5.118 -4.767 -0.060
65 HD3 CY1 10 HKL ACM 10 6.558 -4.389 -1.031
66 HE CY1 10 HAH ACM 10 5.920 -7.089 -1.443
67 HM1 CY1 10 HAJ ACM 10 6.614 -8.866 -0.130
68 HM2 CY1 10 HKM ACM 10 7.496 -8.571 1.390
69 HM3 CY1 10 HKN ACM 10 8.326 -8.374 -0.171
70 H THR 11 HN THR 11 2.083 -2.005 -1.853
71 HA THR 11 HA THR 11 0.015 -2.146 -1.110
72 HB THR 11 HB THR 11 -0.926 -2.937 -3.791
73 HG1 THR 11 HG1 THR 11 0.051 -1.055 -4.232
74 HG21 THR 11 HG21 THR 11 -2.300 -1.709 -1.431
75 HG22 THR 11 HG22 THR 11 -2.745 -3.167 -2.318
76 HG23 THR 11 HG23 THR 11 -2.972 -1.582 -3.055
77 H GLY 12 HN GLY 12 0.931 -3.694 0.094
78 HA2 GLY 12 HA2 GLY 12 -0.795 -5.888 0.379
79 HA3 GLY 12 HA1 GLY 12 0.678 -6.361 -0.417
80 H CYS 13 HN CYS 13 0.725 -3.931 1.812
81 HA CYS 13 HA CYS 13 1.802 -3.508 3.762
82 HB2 CYS 13 HB2 CYS 13 0.243 -5.957 4.277
83 HB3 CYS 13 HB1 CYS 13 1.530 -5.634 5.432
Start of MODEL 7
1 H1 CYS 1 HT1 CYS 1 -3.108 4.020 2.524
2 H2 CYS 1 HT2 CYS 1 -1.919 4.702 3.516
3 H3 CYS 1 HT3 CYS 1 -1.559 3.338 2.582
4 HA CYS 1 HA CYS 1 -2.247 6.018 1.526
5 HB2 CYS 1 HB2 CYS 1 0.414 4.604 1.358
6 HB3 CYS 1 HB1 CYS 1 0.052 6.278 0.955
7 H CY1 2 HN ACM 2 -0.797 3.557 0.252
8 HA CY1 2 HA ACM 2 -1.781 3.038 -1.974
9 HB2 CY1 2 HB1 ACM 2 0.257 1.700 -0.977
10 HB3 CY1 2 HB2 ACM 2 -0.961 0.681 -0.462
11 HD2 CY1 2 HAG ACM 2 0.763 2.366 -3.594
12 HD3 CY1 2 HKL ACM 2 0.001 1.576 -5.062
13 HE CY1 2 HAH ACM 2 -0.967 3.733 -3.583
14 HM1 CY1 2 HAJ ACM 2 -4.449 3.282 -4.230
15 HM2 CY1 2 HKM ACM 2 -3.400 4.323 -5.224
16 HM3 CY1 2 HKN ACM 2 -3.212 4.304 -3.456
17 H GLU 3 HN GLU 3 -2.720 0.535 0.400
18 HA GLU 3 HA GLU 3 -5.441 0.561 -0.501
19 HB2 GLU 3 HB2 GLU 3 -4.041 -0.998 -2.111
20 HB3 GLU 3 HB1 GLU 3 -4.192 -2.154 -0.784
21 HG2 GLU 3 HG2 GLU 3 -5.985 -2.686 -2.148
22 HG3 GLU 3 HG1 GLU 3 -6.721 -1.641 -0.935
23 H LEU 4 HN LEU 4 -3.308 -1.856 1.105
24 HA LEU 4 HA LEU 4 -4.844 -1.503 3.539
25 HB2 LEU 4 HB2 LEU 4 -4.069 -4.119 2.298
26 HB3 LEU 4 HB1 LEU 4 -4.583 -3.981 3.967
27 HG LEU 4 HG LEU 4 -6.688 -2.812 2.766
28 HD11 LEU 4 HD11 LEU 4 -5.803 -3.135 0.520
29 HD12 LEU 4 HD12 LEU 4 -7.276 -4.072 0.760
30 HD13 LEU 4 HD13 LEU 4 -5.705 -4.872 0.797
31 HD21 LEU 4 HD21 LEU 4 -6.259 -5.773 3.141
32 HD22 LEU 4 HD22 LEU 4 -7.825 -4.979 2.975
33 HD23 LEU 4 HD23 LEU 4 -6.802 -4.628 4.368
34 H CYS 5 HN CYS 5 -2.604 -0.195 2.984
35 HA CYS 5 HA CYS 5 -1.235 -0.481 5.315
36 HB2 CYS 5 HB2 CYS 5 -0.544 -2.336 3.375
37 HB3 CYS 5 HB1 CYS 5 0.749 -1.132 3.296
38 H CYS 6 HN CYS 6 1.231 0.305 4.044
39 HA CYS 6 HA CYS 6 0.631 2.522 2.421
40 HB2 CYS 6 HB2 CYS 6 0.455 3.495 4.718
41 HB3 CYS 6 HB1 CYS 6 2.113 2.994 5.032
42 H ASN 7 HN ASN 7 1.502 0.843 1.272
43 HA ASN 7 HA ASN 7 4.413 0.642 1.169
44 HB2 ASN 7 HB2 ASN 7 2.086 -0.880 0.149
45 HB3 ASN 7 HB1 ASN 7 3.679 -1.082 -0.595
46 HD21 ASN 7 HD21 ASN 7 5.297 -2.117 0.526
47 HD22 ASN 7 HD22 ASN 7 5.022 -2.976 1.999
48 HA PRO 8 HA PRO 8 4.259 3.258 -2.462
49 HB2 PRO 8 HB2 PRO 8 6.907 3.289 -3.084
50 HB3 PRO 8 HB1 PRO 8 6.247 4.239 -1.745
51 HG2 PRO 8 HG2 PRO 8 7.774 1.693 -1.666
52 HG3 PRO 8 HG1 PRO 8 7.767 3.040 -0.514
53 HD2 PRO 8 HD2 PRO 8 6.395 0.643 -0.180
54 HD3 PRO 8 HD1 PRO 8 6.049 2.154 0.682
55 H ALA 9 HN ALA 9 3.072 1.999 -3.453
56 HA ALA 9 HA ALA 9 2.331 0.991 -5.197
57 HB1 ALA 9 HB1 ALA 9 4.046 2.161 -6.485
58 HB2 ALA 9 HB2 ALA 9 3.671 0.585 -7.184
59 HB3 ALA 9 HB3 ALA 9 5.145 0.803 -6.242
60 H CY1 10 HN ACM 10 3.439 -0.639 -2.743
61 HA CY1 10 HA ACM 10 4.051 -3.177 -4.057
62 HB2 CY1 10 HB1 ACM 10 5.025 -2.325 -1.706
63 HB3 CY1 10 HB2 ACM 10 3.462 -2.625 -1.241
64 HD2 CY1 10 HAG ACM 10 6.602 -4.497 -3.114
65 HD3 CY1 10 HKL ACM 10 5.125 -4.880 -4.025
66 HE CY1 10 HAH ACM 10 5.804 -7.037 -3.954
67 HM1 CY1 10 HAJ ACM 10 7.164 -8.813 -3.339
68 HM2 CY1 10 HKM ACM 10 6.199 -9.180 -1.889
69 HM3 CY1 10 HKN ACM 10 7.937 -8.837 -1.735
70 H THR 11 HN THR 11 1.840 -2.070 -1.746
71 HA THR 11 HA THR 11 -0.276 -2.326 -1.205
72 HB THR 11 HB THR 11 -1.075 -1.475 -3.315
73 HG1 THR 11 HG1 THR 11 -2.633 -2.459 -1.922
74 HG21 THR 11 HG21 THR 11 -1.576 -2.907 -5.243
75 HG22 THR 11 HG22 THR 11 -0.856 -4.286 -4.412
76 HG23 THR 11 HG23 THR 11 0.150 -2.914 -4.878
77 H GLY 12 HN GLY 12 0.583 -3.728 0.138
78 HA2 GLY 12 HA2 GLY 12 -0.945 -5.947 0.596
79 HA3 GLY 12 HA1 GLY 12 0.402 -6.477 -0.368
80 H CYS 13 HN CYS 13 0.685 -4.005 1.848
81 HA CYS 13 HA CYS 13 1.988 -3.565 3.649
82 HB2 CYS 13 HB2 CYS 13 0.709 -6.173 4.355
83 HB3 CYS 13 HB1 CYS 13 1.937 -5.508 5.428
Start of MODEL 8
1 H1 CYS 1 HT1 CYS 1 -2.789 5.404 2.978
2 H2 CYS 1 HT2 CYS 1 -2.844 3.831 2.359
3 H3 CYS 1 HT3 CYS 1 -3.904 5.009 1.768
4 HA CYS 1 HA CYS 1 -2.087 6.253 0.834
5 HB2 CYS 1 HB2 CYS 1 -0.315 3.965 1.662
6 HB3 CYS 1 HB1 CYS 1 0.176 5.488 0.938
7 H CY1 2 HN ACM 2 -1.369 3.399 0.170
8 HA CY1 2 HA ACM 2 -2.453 2.697 -2.035
9 HB2 CY1 2 HB1 ACM 2 -1.380 0.367 -0.555
10 HB3 CY1 2 HB2 ACM 2 -1.604 0.610 -2.185
11 HD2 CY1 2 HAG ACM 2 0.022 2.375 -3.648
12 HD3 CY1 2 HKL ACM 2 -0.623 3.749 -2.620
13 HE CY1 2 HAH ACM 2 1.723 4.212 -2.109
14 HM1 CY1 2 HAJ ACM 2 3.193 5.523 -4.381
15 HM2 CY1 2 HKM ACM 2 4.114 4.043 -4.744
16 HM3 CY1 2 HKN ACM 2 3.811 4.509 -3.054
17 H GLU 3 HN GLU 3 -3.156 0.363 0.562
18 HA GLU 3 HA GLU 3 -6.012 0.442 0.016
19 HB2 GLU 3 HB2 GLU 3 -4.604 -1.335 -1.476
20 HB3 GLU 3 HB1 GLU 3 -4.944 -2.323 -0.050
21 HG2 GLU 3 HG2 GLU 3 -7.317 -1.949 -0.323
22 HG3 GLU 3 HG1 GLU 3 -7.017 -0.867 -1.682
23 H LEU 4 HN LEU 4 -3.527 -1.544 1.679
24 HA LEU 4 HA LEU 4 -4.821 -1.067 4.206
25 HB2 LEU 4 HB2 LEU 4 -5.695 -3.248 3.112
26 HB3 LEU 4 HB1 LEU 4 -4.111 -3.886 3.498
27 HG LEU 4 HG LEU 4 -4.751 -3.055 5.937
28 HD11 LEU 4 HD11 LEU 4 -7.432 -3.591 4.664
29 HD12 LEU 4 HD12 LEU 4 -6.870 -2.040 5.288
30 HD13 LEU 4 HD13 LEU 4 -7.131 -3.393 6.390
31 HD21 LEU 4 HD21 LEU 4 -5.800 -5.578 4.660
32 HD22 LEU 4 HD22 LEU 4 -5.594 -5.314 6.392
33 HD23 LEU 4 HD23 LEU 4 -4.186 -5.339 5.330
34 H CYS 5 HN CYS 5 -2.563 0.018 3.213
35 HA CYS 5 HA CYS 5 -0.941 -0.173 5.381
36 HB2 CYS 5 HB2 CYS 5 -0.625 -2.215 3.494
37 HB3 CYS 5 HB1 CYS 5 0.777 -1.145 3.282
38 H CYS 6 HN CYS 6 1.413 0.352 3.895
39 HA CYS 6 HA CYS 6 0.877 2.394 2.039
40 HB2 CYS 6 HB2 CYS 6 2.327 3.156 4.599
41 HB3 CYS 6 HB1 CYS 6 2.173 4.197 3.189
42 H ASN 7 HN ASN 7 1.705 0.585 1.094
43 HA ASN 7 HA ASN 7 4.562 0.135 1.056
44 HB2 ASN 7 HB2 ASN 7 2.150 -0.968 -0.294
45 HB3 ASN 7 HB1 ASN 7 3.783 -1.407 -0.829
46 HD21 ASN 7 HD21 ASN 7 5.087 -2.647 0.527
47 HD22 ASN 7 HD22 ASN 7 4.446 -3.520 1.874
48 HA PRO 8 HA PRO 8 5.093 2.962 -2.370
49 HB2 PRO 8 HB2 PRO 8 7.674 2.397 -3.050
50 HB3 PRO 8 HB1 PRO 8 7.265 3.369 -1.628
51 HG2 PRO 8 HG2 PRO 8 8.104 0.521 -1.777
52 HG3 PRO 8 HG1 PRO 8 8.448 1.734 -0.532
53 HD2 PRO 8 HD2 PRO 8 6.533 -0.250 -0.305
54 HD3 PRO 8 HD1 PRO 8 6.547 1.258 0.628
55 H ALA 9 HN ALA 9 3.604 2.051 -3.363
56 HA ALA 9 HA ALA 9 2.556 1.305 -5.069
57 HB1 ALA 9 HB1 ALA 9 3.643 0.992 -7.228
58 HB2 ALA 9 HB2 ALA 9 5.214 0.927 -6.431
59 HB3 ALA 9 HB3 ALA 9 4.273 2.418 -6.403
60 H CY1 10 HN ACM 10 3.633 -0.690 -2.956
61 HA CY1 10 HA ACM 10 3.885 -3.135 -4.559
62 HB2 CY1 10 HB1 ACM 10 5.170 -2.580 -2.224
63 HB3 CY1 10 HB2 ACM 10 3.643 -2.877 -1.648
64 HD2 CY1 10 HAG ACM 10 5.131 -4.701 -0.073
65 HD3 CY1 10 HKL ACM 10 6.600 -4.431 -1.036
66 HE CY1 10 HAH ACM 10 5.816 -7.109 -1.362
67 HM1 CY1 10 HAJ ACM 10 8.146 -8.480 -0.042
68 HM2 CY1 10 HKM ACM 10 6.409 -8.869 0.028
69 HM3 CY1 10 HKN ACM 10 7.311 -8.563 1.529
70 H THR 11 HN THR 11 2.075 -2.034 -1.838
71 HA THR 11 HA THR 11 0.019 -2.224 -1.083
72 HB THR 11 HB THR 11 -0.964 -3.061 -3.730
73 HG1 THR 11 HG1 THR 11 0.362 -1.106 -3.813
74 HG21 THR 11 HG21 THR 11 -2.276 -1.535 -1.497
75 HG22 THR 11 HG22 THR 11 -2.659 -3.176 -2.014
76 HG23 THR 11 HG23 THR 11 -3.011 -1.814 -3.076
77 H GLY 12 HN GLY 12 0.960 -3.748 0.113
78 HA2 GLY 12 HA2 GLY 12 -0.697 -5.993 0.402
79 HA3 GLY 12 HA1 GLY 12 0.778 -6.423 -0.414
80 H CYS 13 HN CYS 13 0.758 -4.004 1.832
81 HA CYS 13 HA CYS 13 1.858 -3.546 3.759
82 HB2 CYS 13 HB2 CYS 13 0.370 -6.034 4.300
83 HB3 CYS 13 HB1 CYS 13 1.650 -5.657 5.448
Start of MODEL 9
1 H1 CYS 1 HT1 CYS 1 -1.347 3.572 2.597
2 H2 CYS 1 HT2 CYS 1 -2.849 4.349 2.591
3 H3 CYS 1 HT3 CYS 1 -1.541 5.045 3.406
4 HA CYS 1 HA CYS 1 -1.954 6.177 1.325
5 HB2 CYS 1 HB2 CYS 1 0.584 4.557 1.113
6 HB3 CYS 1 HB1 CYS 1 0.300 6.192 0.531
7 H CY1 2 HN ACM 2 -0.817 3.307 0.344
8 HA CY1 2 HA ACM 2 -2.025 2.813 -1.856
9 HB2 CY1 2 HB1 ACM 2 -0.101 1.360 -0.875
10 HB3 CY1 2 HB2 ACM 2 -1.351 0.614 -0.060
11 HD2 CY1 2 HAG ACM 2 -0.241 1.742 -3.685
12 HD3 CY1 2 HKL ACM 2 -1.144 0.641 -4.838
13 HE CY1 2 HAH ACM 2 -2.933 1.850 -3.092
14 HM1 CY1 2 HAJ ACM 2 -3.521 4.866 -4.902
15 HM2 CY1 2 HKM ACM 2 -3.965 3.888 -3.482
16 HM3 CY1 2 HKN ACM 2 -4.525 3.408 -5.100
17 H GLU 3 HN GLU 3 -3.049 0.110 -0.437
18 HA GLU 3 HA GLU 3 -5.811 0.861 0.023
19 HB2 GLU 3 HB2 GLU 3 -4.512 -1.716 -0.870
20 HB3 GLU 3 HB1 GLU 3 -6.237 -1.611 -0.503
21 HG2 GLU 3 HG2 GLU 3 -6.428 0.181 -2.214
22 HG3 GLU 3 HG1 GLU 3 -4.740 -0.101 -2.636
23 H LEU 4 HN LEU 4 -3.589 -1.577 1.427
24 HA LEU 4 HA LEU 4 -4.948 -1.273 3.964
25 HB2 LEU 4 HB2 LEU 4 -4.192 -3.928 2.781
26 HB3 LEU 4 HB1 LEU 4 -4.810 -3.697 4.404
27 HG LEU 4 HG LEU 4 -6.805 -2.569 2.937
28 HD11 LEU 4 HD11 LEU 4 -5.955 -4.976 1.350
29 HD12 LEU 4 HD12 LEU 4 -5.575 -3.325 0.865
30 HD13 LEU 4 HD13 LEU 4 -7.257 -3.839 0.998
31 HD21 LEU 4 HD21 LEU 4 -6.507 -5.472 3.699
32 HD22 LEU 4 HD22 LEU 4 -8.028 -4.654 3.341
33 HD23 LEU 4 HD23 LEU 4 -7.077 -4.172 4.746
34 H CYS 5 HN CYS 5 -2.693 -0.034 3.110
35 HA CYS 5 HA CYS 5 -1.158 -0.283 5.343
36 HB2 CYS 5 HB2 CYS 5 -0.690 -2.216 3.394
37 HB3 CYS 5 HB1 CYS 5 0.654 -1.073 3.228
38 H CYS 6 HN CYS 6 1.227 0.384 3.922
39 HA CYS 6 HA CYS 6 0.649 2.535 2.209
40 HB2 CYS 6 HB2 CYS 6 0.487 3.728 4.353
41 HB3 CYS 6 HB1 CYS 6 2.054 3.097 4.845
42 H ASN 7 HN ASN 7 1.494 0.802 1.138
43 HA ASN 7 HA ASN 7 4.390 0.502 1.064
44 HB2 ASN 7 HB2 ASN 7 2.019 -0.889 -0.048
45 HB3 ASN 7 HB1 ASN 7 3.622 -1.161 -0.741
46 HD21 ASN 7 HD21 ASN 7 5.114 -2.346 0.375
47 HD22 ASN 7 HD22 ASN 7 4.762 -3.182 1.845
48 HA PRO 8 HA PRO 8 4.410 3.165 -2.532
49 HB2 PRO 8 HB2 PRO 8 7.078 3.167 -3.067
50 HB3 PRO 8 HB1 PRO 8 6.387 4.113 -1.740
51 HG2 PRO 8 HG2 PRO 8 7.875 1.545 -1.638
52 HG3 PRO 8 HG1 PRO 8 7.844 2.879 -0.471
53 HD2 PRO 8 HD2 PRO 8 6.427 0.495 -0.219
54 HD3 PRO 8 HD1 PRO 8 6.079 1.997 0.656
55 H ALA 9 HN ALA 9 3.226 1.900 -3.534
56 HA ALA 9 HA ALA 9 2.509 0.905 -5.295
57 HB1 ALA 9 HB1 ALA 9 4.225 2.091 -6.560
58 HB2 ALA 9 HB2 ALA 9 3.878 0.514 -7.268
59 HB3 ALA 9 HB3 ALA 9 5.337 0.745 -6.305
60 H CY1 10 HN ACM 10 3.516 -0.729 -2.848
61 HA CY1 10 HA ACM 10 4.263 -3.242 -4.113
62 HB2 CY1 10 HB1 ACM 10 5.020 -2.371 -1.691
63 HB3 CY1 10 HB2 ACM 10 3.437 -2.735 -1.352
64 HD2 CY1 10 HAG ACM 10 6.463 -6.048 -2.903
65 HD3 CY1 10 HKL ACM 10 6.826 -4.309 -2.880
66 HE CY1 10 HAH ACM 10 4.417 -4.766 -4.299
67 HM1 CY1 10 HAJ ACM 10 5.773 -5.348 -7.542
68 HM2 CY1 10 HKM ACM 10 5.262 -3.732 -6.996
69 HM3 CY1 10 HKN ACM 10 4.292 -5.160 -6.571
70 H THR 11 HN THR 11 1.821 -2.160 -1.944
71 HA THR 11 HA THR 11 -0.297 -2.586 -1.555
72 HB THR 11 HB THR 11 -0.662 -3.904 -4.152
73 HG1 THR 11 HG1 THR 11 0.157 -2.137 -5.003
74 HG21 THR 11 HG21 THR 11 -2.615 -3.855 -2.693
75 HG22 THR 11 HG22 THR 11 -2.882 -2.838 -4.109
76 HG23 THR 11 HG23 THR 11 -2.471 -2.102 -2.561
77 H GLY 12 HN GLY 12 0.634 -3.856 -0.020
78 HA2 GLY 12 HA2 GLY 12 -0.824 -6.116 0.480
79 HA3 GLY 12 HA1 GLY 12 0.590 -6.633 -0.389
80 H CYS 13 HN CYS 13 0.651 -4.055 1.722
81 HA CYS 13 HA CYS 13 1.826 -3.489 3.579
82 HB2 CYS 13 HB2 CYS 13 0.557 -6.077 4.287
83 HB3 CYS 13 HB1 CYS 13 1.809 -5.483 5.372
Start of MODEL 10
1 H1 CYS 1 HT1 CYS 1 -1.891 6.309 2.203
2 H2 CYS 1 HT2 CYS 1 -2.007 4.622 2.191
3 H3 CYS 1 HT3 CYS 1 -3.192 5.555 1.427
4 HA CYS 1 HA CYS 1 -1.606 6.343 -0.186
5 HB2 CYS 1 HB2 CYS 1 0.420 4.337 0.663
6 HB3 CYS 1 HB1 CYS 1 0.647 5.894 -0.118
7 H CY1 2 HN ACM 2 -1.050 3.457 0.009
8 HA CY1 2 HA ACM 2 -2.342 1.989 -1.524
9 HB2 CY1 2 HB1 ACM 2 -1.310 0.354 0.727
10 HB3 CY1 2 HB2 ACM 2 -1.675 -0.075 -0.837
11 HD2 CY1 2 HAG ACM 2 1.239 1.549 -2.957
12 HD3 CY1 2 HKL ACM 2 -0.034 0.233 -2.902
13 HE CY1 2 HAH ACM 2 -1.066 2.737 -2.143
14 HM1 CY1 2 HAJ ACM 2 -2.796 3.131 -5.266
15 HM2 CY1 2 HKM ACM 2 -1.745 4.354 -4.510
16 HM3 CY1 2 HKN ACM 2 -2.870 3.409 -3.509
17 H GLU 3 HN GLU 3 -3.446 -0.420 -0.838
18 HA GLU 3 HA GLU 3 -6.036 0.247 0.095
19 HB2 GLU 3 HB2 GLU 3 -4.814 -2.381 -0.746
20 HB3 GLU 3 HB1 GLU 3 -6.505 -2.226 -0.254
21 HG2 GLU 3 HG2 GLU 3 -6.869 -0.612 -2.063
22 HG3 GLU 3 HG1 GLU 3 -5.191 -0.808 -2.565
23 H LEU 4 HN LEU 4 -3.494 -1.839 1.514
24 HA LEU 4 HA LEU 4 -4.791 -1.555 4.082
25 HB2 LEU 4 HB2 LEU 4 -3.839 -4.193 3.013
26 HB3 LEU 4 HB1 LEU 4 -4.389 -3.924 4.654
27 HG LEU 4 HG LEU 4 -6.580 -3.101 3.337
28 HD11 LEU 4 HD11 LEU 4 -5.557 -5.342 1.612
29 HD12 LEU 4 HD12 LEU 4 -5.442 -3.645 1.154
30 HD13 LEU 4 HD13 LEU 4 -7.024 -4.386 1.401
31 HD21 LEU 4 HD21 LEU 4 -5.867 -5.958 3.990
32 HD22 LEU 4 HD22 LEU 4 -7.501 -5.338 3.752
33 HD23 LEU 4 HD23 LEU 4 -6.529 -4.763 5.106
34 H CYS 5 HN CYS 5 -2.576 -0.228 3.005
35 HA CYS 5 HA CYS 5 -1.040 -0.191 5.258
36 HB2 CYS 5 HB2 CYS 5 -0.480 -2.267 3.499
37 HB3 CYS 5 HB1 CYS 5 0.814 -1.088 3.225
38 H CYS 6 HN CYS 6 1.326 0.450 3.802
39 HA CYS 6 HA CYS 6 0.664 2.430 1.918
40 HB2 CYS 6 HB2 CYS 6 0.453 3.786 3.947
41 HB3 CYS 6 HB1 CYS 6 2.038 3.257 4.496
42 H ASN 7 HN ASN 7 1.615 0.608 0.999
43 HA ASN 7 HA ASN 7 4.486 0.312 0.974
44 HB2 ASN 7 HB2 ASN 7 2.101 -0.989 -0.142
45 HB3 ASN 7 HB1 ASN 7 3.604 -1.153 -1.064
46 HD21 ASN 7 HD21 ASN 7 2.116 -1.686 2.067
47 HD22 ASN 7 HD22 ASN 7 3.171 -2.960 2.565
48 HA PRO 8 HA PRO 8 4.929 3.033 -2.539
49 HB2 PRO 8 HB2 PRO 8 7.516 2.527 -3.235
50 HB3 PRO 8 HB1 PRO 8 7.099 3.508 -1.823
51 HG2 PRO 8 HG2 PRO 8 8.023 0.688 -1.941
52 HG3 PRO 8 HG1 PRO 8 8.327 1.924 -0.707
53 HD2 PRO 8 HD2 PRO 8 6.465 -0.129 -0.484
54 HD3 PRO 8 HD1 PRO 8 6.465 1.364 0.472
55 H ALA 9 HN ALA 9 3.439 2.025 -3.461
56 HA ALA 9 HA ALA 9 2.394 1.227 -5.148
57 HB1 ALA 9 HB1 ALA 9 4.080 2.315 -6.541
58 HB2 ALA 9 HB2 ALA 9 3.465 0.849 -7.304
59 HB3 ALA 9 HB3 ALA 9 5.044 0.837 -6.520
60 H CY1 10 HN ACM 10 3.453 -0.656 -2.969
61 HA CY1 10 HA ACM 10 3.700 -3.162 -4.487
62 HB2 CY1 10 HB1 ACM 10 5.126 -2.440 -2.259
63 HB3 CY1 10 HB2 ACM 10 3.672 -2.845 -1.576
64 HD2 CY1 10 HAG ACM 10 2.542 -5.586 -2.652
65 HD3 CY1 10 HKL ACM 10 2.920 -5.131 -0.975
66 HE CY1 10 HAH ACM 10 4.499 -7.340 -1.579
67 HM1 CY1 10 HAJ ACM 10 2.195 -10.029 -1.186
68 HM2 CY1 10 HKM ACM 10 3.202 -9.431 0.157
69 HM3 CY1 10 HKN ACM 10 3.890 -9.565 -1.478
70 H THR 11 HN THR 11 2.105 -2.099 -1.716
71 HA THR 11 HA THR 11 0.063 -2.063 -0.842
72 HB THR 11 HB THR 11 -0.960 -1.038 -2.785
73 HG1 THR 11 HG1 THR 11 -2.789 -1.421 -1.834
74 HG21 THR 11 HG21 THR 11 -0.267 -2.579 -4.554
75 HG22 THR 11 HG22 THR 11 -2.014 -2.347 -4.577
76 HG23 THR 11 HG23 THR 11 -1.330 -3.825 -3.901
77 H GLY 12 HN GLY 12 0.892 -3.581 0.336
78 HA2 GLY 12 HA2 GLY 12 -0.810 -5.758 0.718
79 HA3 GLY 12 HA1 GLY 12 0.589 -6.263 -0.185
80 H CYS 13 HN CYS 13 0.821 -3.846 2.060
81 HA CYS 13 HA CYS 13 2.061 -3.449 3.913
82 HB2 CYS 13 HB2 CYS 13 0.511 -5.890 4.558
83 HB3 CYS 13 HB1 CYS 13 1.831 -5.487 5.650