Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
564918 | 2lwc RC | 18619 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TYR 1 H3 TYR 1 -5.140 -5.523 1.554
2 HA TYR 1 HA TYR 1 -5.474 -5.117 -0.696
3 HB2 TYR 1 HB2 TYR 1 -6.447 -3.467 0.946
4 HB3 TYR 1 HB3 TYR 1 -5.079 -2.405 0.609
5 HD1 TYR 1 HD2 TYR 1 -7.102 -4.597 -1.658
6 HD2 TYR 1 HD1 TYR 1 -5.894 -0.601 -0.648
7 HE1 TYR 1 HE2 TYR 1 -8.261 -3.737 -3.673
8 HE2 TYR 1 HE1 TYR 1 -7.053 0.259 -2.664
9 HH TYR 1 H2 TYR 1 -7.952 -0.386 -4.681
10 H GLY 2 H GLY 2 -4.856 -3.556 -2.588
11 HA2 GLY 2 HA2 GLY 2 -1.880 -3.512 -2.758
12 HA3 GLY 2 HA3 GLY 2 -2.974 -3.545 -4.142
13 H GLY 3 H GLY 3 -3.237 -1.438 -1.303
14 HA2 GLY 3 HA2 GLY 3 -3.063 0.890 -3.157
15 HA3 GLY 3 HA3 GLY 3 -3.853 0.911 -1.579
16 H PHE 4 H PHE 4 -1.502 -0.645 -0.450
17 HA PHE 4 HA PHE 4 0.377 1.671 -0.245
18 HB2 PHE 4 HB2 PHE 4 0.777 0.673 2.066
19 HB3 PHE 4 HB3 PHE 4 -0.841 1.325 1.803
20 HD1 PHE 4 HD1 PHE 4 1.170 -1.780 1.996
21 HD2 PHE 4 HD2 PHE 4 -2.777 -0.108 1.706
22 HE1 PHE 4 HE1 PHE 4 0.191 -4.005 2.493
23 HE2 PHE 4 HE2 PHE 4 -3.756 -2.332 2.203
24 HZ PHE 4 HZ PHE 4 -2.271 -4.280 2.596
25 H MET 5 H MET 5 0.041 -1.789 -0.710
26 HA MET 5 HA MET 5 2.637 -2.744 -0.251
27 HB2 MET 5 HB2 MET 5 0.463 -3.354 -2.250
28 HB3 MET 5 HB3 MET 5 1.973 -4.267 -2.268
29 HG2 MET 5 HG2 MET 5 1.493 -4.456 0.338
30 HG3 MET 5 HG3 MET 5 -0.171 -4.193 -0.182
31 HE1 MET 5 HE1 MET 5 -1.556 -5.940 -0.260
32 HE2 MET 5 HE2 MET 5 -0.569 -6.725 0.969
33 HE3 MET 5 HE3 MET 5 -1.158 -7.657 -0.404
Start of MODEL 2
1 H1 TYR 1 H3 TYR 1 -5.844 -5.773 0.945
2 HA TYR 1 HA TYR 1 -5.895 -4.980 -1.164
3 HB2 TYR 1 HB2 TYR 1 -7.001 -3.381 0.410
4 HB3 TYR 1 HB3 TYR 1 -5.499 -2.456 0.477
5 HD1 TYR 1 HD2 TYR 1 -7.700 -3.995 -2.153
6 HD2 TYR 1 HD1 TYR 1 -5.379 -0.601 -0.914
7 HE1 TYR 1 HE2 TYR 1 -8.340 -2.800 -4.230
8 HE2 TYR 1 HE1 TYR 1 -6.018 0.595 -2.990
9 HH TYR 1 H2 TYR 1 -8.532 -0.279 -4.914
10 H GLY 2 H GLY 2 -4.847 -3.420 -2.820
11 HA2 GLY 2 HA2 GLY 2 -1.885 -3.517 -2.442
12 HA3 GLY 2 HA3 GLY 2 -2.693 -3.569 -4.010
13 H GLY 3 H GLY 3 -3.492 -1.373 -1.350
14 HA2 GLY 3 HA2 GLY 3 -3.004 0.898 -3.196
15 HA3 GLY 3 HA3 GLY 3 -3.916 0.977 -1.686
16 H PHE 4 H PHE 4 -1.414 -0.760 -0.714
17 HA PHE 4 HA PHE 4 0.314 1.619 -0.171
18 HB2 PHE 4 HB2 PHE 4 0.693 0.403 2.051
19 HB3 PHE 4 HB3 PHE 4 -0.923 1.070 1.808
20 HD1 PHE 4 HD2 PHE 4 -2.821 -0.402 1.212
21 HD2 PHE 4 HD1 PHE 4 1.078 -1.984 2.076
22 HE1 PHE 4 HE2 PHE 4 -3.798 -2.666 1.475
23 HE2 PHE 4 HE1 PHE 4 0.101 -4.248 2.339
24 HZ PHE 4 HZ PHE 4 -2.337 -4.589 2.037
25 H MET 5 H MET 5 0.134 -1.832 -0.854
26 HA MET 5 HA MET 5 2.781 -2.667 -0.441
27 HB2 MET 5 HB2 MET 5 0.812 -3.302 -2.661
28 HB3 MET 5 HB3 MET 5 2.243 -4.268 -2.301
29 HG2 MET 5 HG2 MET 5 0.057 -3.664 -0.292
30 HG3 MET 5 HG3 MET 5 0.151 -5.152 -1.233
31 HE1 MET 5 HE1 MET 5 2.673 -6.861 -0.932
32 HE2 MET 5 HE2 MET 5 0.932 -6.946 -0.677
33 HE3 MET 5 HE3 MET 5 2.028 -7.421 0.618
Start of MODEL 3
1 H1 TYR 1 H3 TYR 1 -2.417 -5.516 1.173
2 HA TYR 1 HA TYR 1 -4.932 -5.181 -0.373
3 HB2 TYR 1 HB2 TYR 1 -4.008 -4.100 1.976
4 HB3 TYR 1 HB3 TYR 1 -3.405 -2.938 0.794
5 HD1 TYR 1 HD1 TYR 1 -6.495 -4.776 1.822
6 HD2 TYR 1 HD2 TYR 1 -4.847 -1.337 -0.154
7 HE1 TYR 1 HE1 TYR 1 -8.769 -3.809 1.609
8 HE2 TYR 1 HE2 TYR 1 -7.121 -0.370 -0.368
9 HH TYR 1 H2 TYR 1 -9.555 -1.016 1.299
10 H GLY 2 H GLY 2 -4.662 -3.373 -2.016
11 HA2 GLY 2 HA2 GLY 2 -1.940 -3.485 -3.252
12 HA3 GLY 2 HA3 GLY 2 -3.422 -3.479 -4.207
13 H GLY 3 H GLY 3 -3.048 -1.500 -1.331
14 HA2 GLY 3 HA2 GLY 3 -3.151 0.906 -3.101
15 HA3 GLY 3 HA3 GLY 3 -3.798 0.849 -1.461
16 H PHE 4 H PHE 4 -1.560 -0.494 -0.257
17 HA PHE 4 HA PHE 4 0.510 1.653 -0.462
18 HB2 PHE 4 HB2 PHE 4 0.855 0.998 2.004
19 HB3 PHE 4 HB3 PHE 4 -0.648 1.838 1.617
20 HD1 PHE 4 HD1 PHE 4 0.863 -1.458 2.374
21 HD2 PHE 4 HD2 PHE 4 -2.782 0.725 1.742
22 HE1 PHE 4 HE1 PHE 4 -0.439 -3.383 3.240
23 HE2 PHE 4 HE2 PHE 4 -4.084 -1.200 2.608
24 HZ PHE 4 HZ PHE 4 -2.913 -3.254 3.357
25 H MET 5 H MET 5 -0.081 -1.809 0.088
26 HA MET 5 HA MET 5 2.505 -2.774 0.523
27 HB2 MET 5 HB2 MET 5 0.067 -3.764 -0.932
28 HB3 MET 5 HB3 MET 5 1.533 -4.746 -0.933
29 HG2 MET 5 HG2 MET 5 0.866 -3.690 1.718
30 HG3 MET 5 HG3 MET 5 -0.386 -4.743 1.060
31 HE1 MET 5 HE1 MET 5 1.133 -7.095 3.407
32 HE2 MET 5 HE2 MET 5 0.298 -5.546 3.314
33 HE3 MET 5 HE3 MET 5 2.007 -5.593 3.739
Start of MODEL 4
1 H1 TYR 1 H3 TYR 1 -3.002 -5.879 1.188
2 HA TYR 1 HA TYR 1 -5.233 -5.137 -0.592
3 HB2 TYR 1 HB2 TYR 1 -4.347 -4.393 1.888
4 HB3 TYR 1 HB3 TYR 1 -3.516 -3.219 0.867
5 HD1 TYR 1 HD1 TYR 1 -6.864 -4.649 1.666
6 HD2 TYR 1 HD2 TYR 1 -4.687 -1.420 -0.146
7 HE1 TYR 1 HE1 TYR 1 -8.973 -3.368 1.414
8 HE2 TYR 1 HE2 TYR 1 -6.796 -0.140 -0.399
9 HH TYR 1 H2 TYR 1 -8.966 -0.044 0.167
10 H GLY 2 H GLY 2 -4.707 -3.324 -2.111
11 HA2 GLY 2 HA2 GLY 2 -1.890 -3.461 -3.097
12 HA3 GLY 2 HA3 GLY 2 -3.259 -3.498 -4.209
13 H GLY 3 H GLY 3 -3.026 -1.485 -1.308
14 HA2 GLY 3 HA2 GLY 3 -3.157 0.903 -3.103
15 HA3 GLY 3 HA3 GLY 3 -3.847 0.846 -1.480
16 H PHE 4 H PHE 4 -1.454 -0.595 -0.429
17 HA PHE 4 HA PHE 4 0.539 1.627 -0.549
18 HB2 PHE 4 HB2 PHE 4 0.795 1.095 1.960
19 HB3 PHE 4 HB3 PHE 4 -0.683 1.925 1.476
20 HD1 PHE 4 HD2 PHE 4 -2.807 0.625 1.179
21 HD2 PHE 4 HD1 PHE 4 0.740 -1.128 2.850
22 HE1 PHE 4 HE2 PHE 4 -4.160 -1.243 2.090
23 HE2 PHE 4 HE1 PHE 4 -0.613 -2.997 3.761
24 HZ PHE 4 HZ PHE 4 -3.062 -3.053 3.380
25 H MET 5 H MET 5 -0.038 -1.781 0.351
26 HA MET 5 HA MET 5 2.542 -2.699 0.833
27 HB2 MET 5 HB2 MET 5 0.091 -3.808 -0.494
28 HB3 MET 5 HB3 MET 5 1.562 -4.782 -0.488
29 HG2 MET 5 HG2 MET 5 1.054 -3.593 2.122
30 HG3 MET 5 HG3 MET 5 -0.297 -4.594 1.588
31 HE1 MET 5 HE1 MET 5 0.651 -8.014 2.177
32 HE2 MET 5 HE2 MET 5 -0.020 -7.161 0.788
33 HE3 MET 5 HE3 MET 5 -0.486 -6.681 2.419
Start of MODEL 5
1 H1 TYR 1 H3 TYR 1 -4.202 -6.465 1.266
2 HA TYR 1 HA TYR 1 -5.219 -5.094 -0.534
3 HB2 TYR 1 HB2 TYR 1 -3.899 -4.489 1.885
4 HB3 TYR 1 HB3 TYR 1 -3.452 -3.199 0.768
5 HD1 TYR 1 HD1 TYR 1 -5.141 -1.717 -0.199
6 HD2 TYR 1 HD2 TYR 1 -6.232 -4.856 2.525
7 HE1 TYR 1 HE1 TYR 1 -7.384 -0.699 0.077
8 HE2 TYR 1 HE2 TYR 1 -8.475 -3.836 2.800
9 HH TYR 1 H2 TYR 1 -9.346 -0.823 1.096
10 H GLY 2 H GLY 2 -4.716 -3.317 -2.064
11 HA2 GLY 2 HA2 GLY 2 -1.950 -3.487 -3.179
12 HA3 GLY 2 HA3 GLY 2 -3.367 -3.503 -4.230
13 H GLY 3 H GLY 3 -2.945 -1.512 -1.327
14 HA2 GLY 3 HA2 GLY 3 -3.119 0.889 -3.106
15 HA3 GLY 3 HA3 GLY 3 -3.781 0.829 -1.471
16 H PHE 4 H PHE 4 -1.548 -0.488 -0.241
17 HA PHE 4 HA PHE 4 0.483 1.699 -0.391
18 HB2 PHE 4 HB2 PHE 4 0.852 0.984 2.041
19 HB3 PHE 4 HB3 PHE 4 -0.701 1.744 1.693
20 HD1 PHE 4 HD1 PHE 4 1.016 -1.433 2.435
21 HD2 PHE 4 HD2 PHE 4 -2.766 0.451 1.665
22 HE1 PHE 4 HE1 PHE 4 -0.160 -3.468 3.229
23 HE2 PHE 4 HE2 PHE 4 -3.941 -1.583 2.459
24 HZ PHE 4 HZ PHE 4 -2.638 -3.543 3.239
25 H MET 5 H MET 5 -0.056 -1.784 -0.181
26 HA MET 5 HA MET 5 2.461 -2.829 0.335
27 HB2 MET 5 HB2 MET 5 0.299 -3.574 -1.646
28 HB3 MET 5 HB3 MET 5 1.706 -4.604 -1.377
29 HG2 MET 5 HG2 MET 5 -0.018 -3.635 0.905
30 HG3 MET 5 HG3 MET 5 -0.380 -5.121 0.029
31 HE1 MET 5 HE1 MET 5 -0.525 -6.011 2.052
32 HE2 MET 5 HE2 MET 5 0.674 -6.125 3.338
33 HE3 MET 5 HE3 MET 5 0.632 -7.349 2.072
Start of MODEL 6
1 H1 TYR 1 H3 TYR 1 -2.775 -5.521 1.298
2 HA TYR 1 HA TYR 1 -5.102 -5.198 -0.509
3 HB2 TYR 1 HB2 TYR 1 -4.433 -4.086 1.871
4 HB3 TYR 1 HB3 TYR 1 -3.572 -2.999 0.782
5 HD1 TYR 1 HD2 TYR 1 -6.874 -4.792 0.729
6 HD2 TYR 1 HD1 TYR 1 -4.768 -1.080 0.247
7 HE1 TYR 1 HE2 TYR 1 -9.007 -3.655 0.173
8 HE2 TYR 1 HE1 TYR 1 -6.901 0.058 -0.308
9 HH TYR 1 H2 TYR 1 -9.907 -1.282 0.287
10 H GLY 2 H GLY 2 -4.559 -3.157 -1.975
11 HA2 GLY 2 HA2 GLY 2 -1.804 -3.482 -3.083
12 HA3 GLY 2 HA3 GLY 2 -3.214 -3.425 -4.142
13 H GLY 3 H GLY 3 -3.460 -1.424 -1.379
14 HA2 GLY 3 HA2 GLY 3 -3.217 0.963 -3.107
15 HA3 GLY 3 HA3 GLY 3 -3.889 0.934 -1.477
16 H PHE 4 H PHE 4 -1.558 -0.613 -0.449
17 HA PHE 4 HA PHE 4 0.522 1.530 -0.571
18 HB2 PHE 4 HB2 PHE 4 0.814 0.902 1.917
19 HB3 PHE 4 HB3 PHE 4 -0.631 1.818 1.490
20 HD1 PHE 4 HD2 PHE 4 -2.829 0.670 1.265
21 HD2 PHE 4 HD1 PHE 4 0.671 -1.377 2.681
22 HE1 PHE 4 HE2 PHE 4 -4.256 -1.154 2.154
23 HE2 PHE 4 HE1 PHE 4 -0.755 -3.201 3.571
24 HZ PHE 4 HZ PHE 4 -3.218 -3.089 3.307
25 H MET 5 H MET 5 -0.148 -1.880 0.252
26 HA MET 5 HA MET 5 2.489 -2.818 0.568
27 HB2 MET 5 HB2 MET 5 -0.090 -3.982 -0.474
28 HB3 MET 5 HB3 MET 5 1.368 -4.971 -0.393
29 HG2 MET 5 HG2 MET 5 0.855 -3.424 2.055
30 HG3 MET 5 HG3 MET 5 -0.400 -4.607 1.688
31 HE1 MET 5 HE1 MET 5 3.928 -4.756 2.188
32 HE2 MET 5 HE2 MET 5 3.216 -4.872 3.794
33 HE3 MET 5 HE3 MET 5 2.719 -3.575 2.712
Start of MODEL 7
1 H1 TYR 1 H3 TYR 1 -4.558 -4.325 1.613
2 HA TYR 1 HA TYR 1 -5.747 -5.044 -1.002
3 HB2 TYR 1 HB2 TYR 1 -6.851 -3.456 0.562
4 HB3 TYR 1 HB3 TYR 1 -5.381 -2.481 0.585
5 HD1 TYR 1 HD1 TYR 1 -7.822 -3.992 -1.831
6 HD2 TYR 1 HD2 TYR 1 -5.137 -0.752 -0.967
7 HE1 TYR 1 HE1 TYR 1 -8.555 -2.832 -3.897
8 HE2 TYR 1 HE2 TYR 1 -5.871 0.408 -3.033
9 HH TYR 1 H2 TYR 1 -8.466 -0.924 -5.064
10 H GLY 2 H GLY 2 -4.850 -3.500 -2.756
11 HA2 GLY 2 HA2 GLY 2 -1.874 -3.516 -2.566
12 HA3 GLY 2 HA3 GLY 2 -2.787 -3.551 -4.074
13 H GLY 3 H GLY 3 -3.407 -1.406 -1.322
14 HA2 GLY 3 HA2 GLY 3 -3.073 0.899 -3.162
15 HA3 GLY 3 HA3 GLY 3 -3.881 0.946 -1.594
16 H PHE 4 H PHE 4 -1.497 -0.676 -0.514
17 HA PHE 4 HA PHE 4 0.368 1.645 -0.253
18 HB2 PHE 4 HB2 PHE 4 0.777 0.596 2.039
19 HB3 PHE 4 HB3 PHE 4 -0.833 1.272 1.795
20 HD1 PHE 4 HD1 PHE 4 -2.779 -0.184 1.454
21 HD2 PHE 4 HD2 PHE 4 1.134 -1.812 2.151
22 HE1 PHE 4 HE1 PHE 4 -3.785 -2.403 1.917
23 HE2 PHE 4 HE2 PHE 4 0.129 -4.031 2.614
24 HZ PHE 4 HZ PHE 4 -2.331 -4.326 2.497
25 H MET 5 H MET 5 0.147 -1.918 -0.239
26 HA MET 5 HA MET 5 2.951 -2.447 -0.192
27 HB2 MET 5 HB2 MET 5 2.199 -4.669 -1.045
28 HB3 MET 5 HB3 MET 5 1.200 -4.095 0.292
29 HG2 MET 5 HG2 MET 5 -0.516 -4.594 -1.132
30 HG3 MET 5 HG3 MET 5 -0.140 -3.008 -1.803
31 HE1 MET 5 HE1 MET 5 0.598 -6.557 -1.603
32 HE2 MET 5 HE2 MET 5 2.169 -6.467 -2.396
33 HE3 MET 5 HE3 MET 5 0.798 -7.166 -3.252
Start of MODEL 8
1 H1 TYR 1 H3 TYR 1 -4.080 -4.905 1.351
2 HA TYR 1 HA TYR 1 -5.844 -4.983 -1.046
3 HB2 TYR 1 HB2 TYR 1 -6.457 -3.534 1.023
4 HB3 TYR 1 HB3 TYR 1 -5.033 -2.583 0.597
5 HD1 TYR 1 HD1 TYR 1 -8.161 -4.001 -0.904
6 HD2 TYR 1 HD2 TYR 1 -5.201 -0.890 -1.012
7 HE1 TYR 1 HE1 TYR 1 -9.468 -2.817 -2.647
8 HE2 TYR 1 HE2 TYR 1 -6.509 0.294 -2.755
9 HH TYR 1 H2 TYR 1 -8.589 0.409 -3.730
10 H GLY 2 H GLY 2 -4.899 -3.379 -2.675
11 HA2 GLY 2 HA2 GLY 2 -1.912 -3.537 -2.601
12 HA3 GLY 2 HA3 GLY 2 -2.863 -3.577 -4.088
13 H GLY 3 H GLY 3 -3.326 -1.409 -1.314
14 HA2 GLY 3 HA2 GLY 3 -2.989 0.878 -3.191
15 HA3 GLY 3 HA3 GLY 3 -3.850 0.946 -1.652
16 H PHE 4 H PHE 4 -1.502 -0.694 -0.496
17 HA PHE 4 HA PHE 4 0.286 1.660 -0.069
18 HB2 PHE 4 HB2 PHE 4 0.767 0.435 2.098
19 HB3 PHE 4 HB3 PHE 4 -0.909 0.956 1.914
20 HD1 PHE 4 HD1 PHE 4 1.390 -1.937 1.790
21 HD2 PHE 4 HD2 PHE 4 -2.698 -0.639 1.576
22 HE1 PHE 4 HE1 PHE 4 0.633 -4.288 2.002
23 HE2 PHE 4 HE2 PHE 4 -3.456 -2.990 1.788
24 HZ PHE 4 HZ PHE 4 -1.790 -4.813 1.998
25 H MET 5 H MET 5 0.249 -1.874 -0.524
26 HA MET 5 HA MET 5 3.068 -2.293 -0.496
27 HB2 MET 5 HB2 MET 5 2.405 -4.380 -1.734
28 HB3 MET 5 HB3 MET 5 1.427 -4.080 -0.296
29 HG2 MET 5 HG2 MET 5 -0.326 -4.377 -1.721
30 HG3 MET 5 HG3 MET 5 0.004 -2.706 -2.176
31 HE1 MET 5 HE1 MET 5 -0.094 -6.430 -4.215
32 HE2 MET 5 HE2 MET 5 -1.168 -5.167 -4.813
33 HE3 MET 5 HE3 MET 5 -1.089 -5.502 -3.085
Start of MODEL 9
1 H1 TYR 1 H3 TYR 1 -4.515 -5.369 0.848
2 HA TYR 1 HA TYR 1 -5.941 -4.932 -1.256
3 HB2 TYR 1 HB2 TYR 1 -7.255 -3.225 0.049
4 HB3 TYR 1 HB3 TYR 1 -5.810 -2.213 0.088
5 HD1 TYR 1 HD2 TYR 1 -7.238 -4.365 -2.625
6 HD2 TYR 1 HD1 TYR 1 -6.180 -0.402 -1.352
7 HE1 TYR 1 HE2 TYR 1 -7.781 -3.495 -4.883
8 HE2 TYR 1 HE1 TYR 1 -6.724 0.468 -3.609
9 HH TYR 1 H2 TYR 1 -8.477 -0.607 -5.621
10 H GLY 2 H GLY 2 -4.790 -3.504 -2.960
11 HA2 GLY 2 HA2 GLY 2 -1.878 -3.511 -2.341
12 HA3 GLY 2 HA3 GLY 2 -2.573 -3.553 -3.962
13 H GLY 3 H GLY 3 -3.606 -1.370 -1.386
14 HA2 GLY 3 HA2 GLY 3 -3.072 0.915 -3.172
15 HA3 GLY 3 HA3 GLY 3 -3.942 0.981 -1.638
16 H PHE 4 H PHE 4 -1.421 -0.753 -0.727
17 HA PHE 4 HA PHE 4 0.370 1.602 -0.304
18 HB2 PHE 4 HB2 PHE 4 0.716 0.498 1.997
19 HB3 PHE 4 HB3 PHE 4 -0.843 1.276 1.723
20 HD1 PHE 4 HD2 PHE 4 -2.848 -0.096 1.163
21 HD2 PHE 4 HD1 PHE 4 0.899 -1.886 2.261
22 HE1 PHE 4 HE2 PHE 4 -4.001 -2.250 1.585
23 HE2 PHE 4 HE1 PHE 4 -0.254 -4.040 2.684
24 HZ PHE 4 HZ PHE 4 -2.705 -4.222 2.346
25 H MET 5 H MET 5 0.153 -1.965 -0.201
26 HA MET 5 HA MET 5 2.958 -2.475 -0.130
27 HB2 MET 5 HB2 MET 5 2.232 -4.731 -0.866
28 HB3 MET 5 HB3 MET 5 1.178 -4.099 0.400
29 HG2 MET 5 HG2 MET 5 -0.436 -4.771 -1.102
30 HG3 MET 5 HG3 MET 5 -0.148 -3.144 -1.718
31 HE1 MET 5 HE1 MET 5 -1.356 -5.641 -3.656
32 HE2 MET 5 HE2 MET 5 -0.639 -6.508 -2.300
33 HE3 MET 5 HE3 MET 5 -0.108 -6.862 -3.943
Start of MODEL 10
1 H1 TYR 1 H3 TYR 1 -4.463 -6.540 1.067
2 HA TYR 1 HA TYR 1 -5.484 -4.822 -0.658
3 HB2 TYR 1 HB2 TYR 1 -3.862 -4.877 1.736
4 HB3 TYR 1 HB3 TYR 1 -3.491 -3.433 0.793
5 HD1 TYR 1 HD2 TYR 1 -5.256 -1.794 0.243
6 HD2 TYR 1 HD1 TYR 1 -6.050 -5.210 2.725
7 HE1 TYR 1 HE2 TYR 1 -7.374 -0.752 1.002
8 HE2 TYR 1 HE1 TYR 1 -8.168 -4.167 3.483
9 HH TYR 1 H2 TYR 1 -8.995 -1.596 3.644
10 H GLY 2 H GLY 2 -4.640 -3.102 -2.036
11 HA2 GLY 2 HA2 GLY 2 -1.872 -3.524 -3.044
12 HA3 GLY 2 HA3 GLY 2 -3.212 -3.466 -4.189
13 H GLY 3 H GLY 3 -3.341 -1.465 -1.346
14 HA2 GLY 3 HA2 GLY 3 -3.177 0.926 -3.096
15 HA3 GLY 3 HA3 GLY 3 -3.806 0.898 -1.447
16 H PHE 4 H PHE 4 -1.639 -0.462 -0.210
17 HA PHE 4 HA PHE 4 0.469 1.643 -0.392
18 HB2 PHE 4 HB2 PHE 4 0.908 0.811 1.996
19 HB3 PHE 4 HB3 PHE 4 -0.626 1.642 1.734
20 HD1 PHE 4 HD1 PHE 4 0.966 -1.707 2.034
21 HD2 PHE 4 HD2 PHE 4 -2.713 0.510 1.981
22 HE1 PHE 4 HE1 PHE 4 -0.261 -3.727 2.785
23 HE2 PHE 4 HE2 PHE 4 -3.940 -1.510 2.734
24 HZ PHE 4 HZ PHE 4 -2.714 -3.629 3.131
25 H MET 5 H MET 5 -0.154 -1.817 -0.418
26 HA MET 5 HA MET 5 2.389 -2.912 0.010
27 HB2 MET 5 HB2 MET 5 0.012 -3.570 -1.704
28 HB3 MET 5 HB3 MET 5 1.465 -4.562 -1.843
29 HG2 MET 5 HG2 MET 5 1.224 -4.393 0.868
30 HG3 MET 5 HG3 MET 5 -0.471 -4.358 0.383
31 HE1 MET 5 HE1 MET 5 -0.719 -6.214 1.785
32 HE2 MET 5 HE2 MET 5 0.806 -7.043 2.084
33 HE3 MET 5 HE3 MET 5 -0.522 -7.908 1.313
Start of MODEL 11
1 H1 TYR 1 H3 TYR 1 -4.171 -4.785 1.265
2 HA TYR 1 HA TYR 1 -5.852 -5.066 -1.155
3 HB2 TYR 1 HB2 TYR 1 -6.835 -3.486 0.561
4 HB3 TYR 1 HB3 TYR 1 -5.343 -2.552 0.464
5 HD1 TYR 1 HD1 TYR 1 -7.363 -4.287 -2.174
6 HD2 TYR 1 HD2 TYR 1 -5.801 -0.570 -0.695
7 HE1 TYR 1 HE1 TYR 1 -8.218 -3.126 -4.191
8 HE2 TYR 1 HE2 TYR 1 -6.656 0.593 -2.712
9 HH TYR 1 H2 TYR 1 -7.836 0.398 -4.584
10 H GLY 2 H GLY 2 -4.850 -3.344 -2.745
11 HA2 GLY 2 HA2 GLY 2 -1.876 -3.518 -2.488
12 HA3 GLY 2 HA3 GLY 2 -2.729 -3.559 -4.031
13 H GLY 3 H GLY 3 -3.476 -1.382 -1.347
14 HA2 GLY 3 HA2 GLY 3 -3.030 0.900 -3.186
15 HA3 GLY 3 HA3 GLY 3 -3.900 0.971 -1.654
16 H PHE 4 H PHE 4 -1.466 -0.731 -0.623
17 HA PHE 4 HA PHE 4 0.323 1.623 -0.178
18 HB2 PHE 4 HB2 PHE 4 0.735 0.423 2.046
19 HB3 PHE 4 HB3 PHE 4 -0.876 1.107 1.829
20 HD1 PHE 4 HD1 PHE 4 -2.811 -0.343 1.332
21 HD2 PHE 4 HD2 PHE 4 1.098 -1.977 2.051
22 HE1 PHE 4 HE1 PHE 4 -3.808 -2.592 1.651
23 HE2 PHE 4 HE2 PHE 4 0.100 -4.225 2.369
24 HZ PHE 4 HZ PHE 4 -2.353 -4.532 2.171
25 H MET 5 H MET 5 0.199 -1.939 -0.364
26 HA MET 5 HA MET 5 3.018 -2.391 -0.326
27 HB2 MET 5 HB2 MET 5 2.315 -4.591 -1.298
28 HB3 MET 5 HB3 MET 5 1.337 -4.112 0.089
29 HG2 MET 5 HG2 MET 5 -0.424 -4.528 -1.289
30 HG3 MET 5 HG3 MET 5 -0.045 -2.943 -1.964
31 HE1 MET 5 HE1 MET 5 -1.415 -5.681 -3.873
32 HE2 MET 5 HE2 MET 5 -0.814 -6.200 -2.300
33 HE3 MET 5 HE3 MET 5 -0.150 -6.914 -3.768
Start of MODEL 12
1 H1 TYR 1 H3 TYR 1 -4.623 -4.624 1.585
2 HA TYR 1 HA TYR 1 -5.859 -5.007 -1.065
3 HB2 TYR 1 HB2 TYR 1 -6.602 -3.487 0.895
4 HB3 TYR 1 HB3 TYR 1 -5.180 -2.518 0.508
5 HD1 TYR 1 HD2 TYR 1 -7.772 -4.323 -1.527
6 HD2 TYR 1 HD1 TYR 1 -5.722 -0.631 -0.741
7 HE1 TYR 1 HE2 TYR 1 -9.014 -3.239 -3.380
8 HE2 TYR 1 HE1 TYR 1 -6.965 0.453 -2.593
9 HH TYR 1 H2 TYR 1 -8.253 -0.834 -4.942
10 H GLY 2 H GLY 2 -4.908 -3.419 -2.723
11 HA2 GLY 2 HA2 GLY 2 -1.924 -3.533 -2.573
12 HA3 GLY 2 HA3 GLY 2 -2.840 -3.586 -4.080
13 H GLY 3 H GLY 3 -3.302 -1.409 -1.304
14 HA2 GLY 3 HA2 GLY 3 -2.976 0.873 -3.194
15 HA3 GLY 3 HA3 GLY 3 -3.856 0.943 -1.667
16 H PHE 4 H PHE 4 -1.468 -0.709 -0.540
17 HA PHE 4 HA PHE 4 0.284 1.665 -0.072
18 HB2 PHE 4 HB2 PHE 4 0.754 0.425 2.099
19 HB3 PHE 4 HB3 PHE 4 -0.910 0.978 1.906
20 HD1 PHE 4 HD2 PHE 4 1.331 -1.952 1.853
21 HD2 PHE 4 HD1 PHE 4 -2.727 -0.587 1.503
22 HE1 PHE 4 HE2 PHE 4 0.525 -4.288 2.067
23 HE2 PHE 4 HE1 PHE 4 -3.531 -2.922 1.716
24 HZ PHE 4 HZ PHE 4 -1.905 -4.772 1.997
25 H MET 5 H MET 5 0.281 -1.877 -0.498
26 HA MET 5 HA MET 5 3.130 -2.199 -0.487
27 HB2 MET 5 HB2 MET 5 2.482 -4.386 -1.594
28 HB3 MET 5 HB3 MET 5 1.618 -4.043 -0.095
29 HG2 MET 5 HG2 MET 5 -0.314 -4.260 -1.230
30 HG3 MET 5 HG3 MET 5 0.116 -2.813 -2.141
31 HE1 MET 5 HE1 MET 5 -1.460 -5.936 -3.647
32 HE2 MET 5 HE2 MET 5 -0.957 -5.923 -1.958
33 HE3 MET 5 HE3 MET 5 -0.196 -7.040 -3.088
Start of MODEL 13
1 H1 TYR 1 H3 TYR 1 -3.089 -6.787 0.008
2 HA TYR 1 HA TYR 1 -5.335 -4.920 -0.559
3 HB2 TYR 1 HB2 TYR 1 -3.515 -5.149 1.658
4 HB3 TYR 1 HB3 TYR 1 -3.116 -3.698 0.737
5 HD1 TYR 1 HD2 TYR 1 -4.873 -1.971 0.297
6 HD2 TYR 1 HD1 TYR 1 -5.551 -5.308 2.915
7 HE1 TYR 1 HE2 TYR 1 -6.838 -0.810 1.269
8 HE2 TYR 1 HE1 TYR 1 -7.515 -4.146 3.887
9 HH TYR 1 H2 TYR 1 -9.119 -1.819 2.551
10 H GLY 2 H GLY 2 -4.550 -3.110 -1.880
11 HA2 GLY 2 HA2 GLY 2 -1.911 -3.482 -3.170
12 HA3 GLY 2 HA3 GLY 2 -3.337 -3.484 -4.208
13 H GLY 3 H GLY 3 -3.080 -1.495 -1.320
14 HA2 GLY 3 HA2 GLY 3 -3.166 0.905 -3.096
15 HA3 GLY 3 HA3 GLY 3 -3.820 0.848 -1.458
16 H PHE 4 H PHE 4 -1.526 -0.532 -0.314
17 HA PHE 4 HA PHE 4 0.521 1.638 -0.510
18 HB2 PHE 4 HB2 PHE 4 0.841 1.048 1.975
19 HB3 PHE 4 HB3 PHE 4 -0.656 1.879 1.553
20 HD1 PHE 4 HD1 PHE 4 0.838 -1.422 2.352
21 HD2 PHE 4 HD2 PHE 4 -2.789 0.796 1.743
22 HE1 PHE 4 HE1 PHE 4 -0.475 -3.322 3.255
23 HE2 PHE 4 HE2 PHE 4 -4.103 -1.105 2.647
24 HZ PHE 4 HZ PHE 4 -2.945 -3.163 3.401
25 H MET 5 H MET 5 -0.114 -1.810 -0.047
26 HA MET 5 HA MET 5 2.446 -2.802 0.521
27 HB2 MET 5 HB2 MET 5 0.123 -3.786 -1.138
28 HB3 MET 5 HB3 MET 5 1.557 -4.784 -0.898
29 HG2 MET 5 HG2 MET 5 1.012 -3.906 1.661
30 HG3 MET 5 HG3 MET 5 -0.601 -4.134 0.985
31 HE1 MET 5 HE1 MET 5 0.467 -6.333 3.471
32 HE2 MET 5 HE2 MET 5 1.748 -5.237 2.962
33 HE3 MET 5 HE3 MET 5 2.002 -6.979 2.873
Start of MODEL 14
1 H1 TYR 1 H3 TYR 1 -4.600 -6.848 0.809
2 HA TYR 1 HA TYR 1 -5.289 -4.971 -0.523
3 HB2 TYR 1 HB2 TYR 1 -3.508 -5.040 1.713
4 HB3 TYR 1 HB3 TYR 1 -3.080 -3.641 0.727
5 HD1 TYR 1 HD2 TYR 1 -4.935 -2.033 0.022
6 HD2 TYR 1 HD1 TYR 1 -5.459 -5.027 3.057
7 HE1 TYR 1 HE2 TYR 1 -6.918 -0.816 0.881
8 HE2 TYR 1 HE1 TYR 1 -7.441 -3.810 3.917
9 HH TYR 1 H2 TYR 1 -8.108 -0.922 3.587
10 H GLY 2 H GLY 2 -4.504 -3.086 -1.824
11 HA2 GLY 2 HA2 GLY 2 -1.905 -3.480 -3.177
12 HA3 GLY 2 HA3 GLY 2 -3.351 -3.487 -4.185
13 H GLY 3 H GLY 3 -3.099 -1.471 -1.326
14 HA2 GLY 3 HA2 GLY 3 -3.127 0.912 -3.128
15 HA3 GLY 3 HA3 GLY 3 -3.841 0.875 -1.516
16 H PHE 4 H PHE 4 -1.506 -0.593 -0.399
17 HA PHE 4 HA PHE 4 0.491 1.631 -0.447
18 HB2 PHE 4 HB2 PHE 4 0.782 0.964 2.009
19 HB3 PHE 4 HB3 PHE 4 -0.747 1.742 1.600
20 HD1 PHE 4 HD1 PHE 4 0.876 -1.573 2.126
21 HD2 PHE 4 HD2 PHE 4 -2.816 0.611 1.880
22 HE1 PHE 4 HE1 PHE 4 -0.358 -3.566 2.935
23 HE2 PHE 4 HE2 PHE 4 -4.049 -1.383 2.690
24 HZ PHE 4 HZ PHE 4 -2.819 -3.471 3.217
25 H MET 5 H MET 5 -0.085 -1.845 -0.130
26 HA MET 5 HA MET 5 2.416 -2.885 0.463
27 HB2 MET 5 HB2 MET 5 0.283 -3.684 -1.523
28 HB3 MET 5 HB3 MET 5 1.685 -4.708 -1.214
29 HG2 MET 5 HG2 MET 5 0.698 -3.924 1.321
30 HG3 MET 5 HG3 MET 5 -0.705 -4.409 0.367
31 HE1 MET 5 HE1 MET 5 3.165 -6.462 1.106
32 HE2 MET 5 HE2 MET 5 2.248 -6.343 2.605
33 HE3 MET 5 HE3 MET 5 2.555 -4.894 1.650
Start of MODEL 15
1 H1 TYR 1 H3 TYR 1 -2.930 -6.361 0.393
2 HA TYR 1 HA TYR 1 -5.420 -5.134 -0.667
3 HB2 TYR 1 HB2 TYR 1 -4.122 -4.585 1.748
4 HB3 TYR 1 HB3 TYR 1 -3.473 -3.385 0.630
5 HD1 TYR 1 HD2 TYR 1 -6.683 -4.877 1.838
6 HD2 TYR 1 HD1 TYR 1 -4.749 -1.501 0.016
7 HE1 TYR 1 HE2 TYR 1 -8.791 -3.583 1.998
8 HE2 TYR 1 HE1 TYR 1 -6.859 -0.207 0.175
9 HH TYR 1 H2 TYR 1 -9.367 -1.017 2.114
10 H GLY 2 H GLY 2 -4.507 -3.017 -1.838
11 HA2 GLY 2 HA2 GLY 2 -1.875 -3.493 -3.087
12 HA3 GLY 2 HA3 GLY 2 -3.275 -3.496 -4.160
13 H GLY 3 H GLY 3 -3.191 -1.443 -1.332
14 HA2 GLY 3 HA2 GLY 3 -3.083 0.916 -3.159
15 HA3 GLY 3 HA3 GLY 3 -3.868 0.907 -1.580
16 H PHE 4 H PHE 4 -1.485 -0.661 -0.503
17 HA PHE 4 HA PHE 4 0.438 1.624 -0.362
18 HB2 PHE 4 HB2 PHE 4 0.732 0.765 2.045
19 HB3 PHE 4 HB3 PHE 4 -0.795 1.567 1.680
20 HD1 PHE 4 HD1 PHE 4 0.843 -1.735 2.121
21 HD2 PHE 4 HD2 PHE 4 -2.875 0.375 1.705
22 HE1 PHE 4 HE1 PHE 4 -0.392 -3.784 2.771
23 HE2 PHE 4 HE2 PHE 4 -4.111 -1.674 2.354
24 HZ PHE 4 HZ PHE 4 -2.870 -3.754 2.888
25 H MET 5 H MET 5 -0.009 -1.895 -0.152
26 HA MET 5 HA MET 5 2.627 -2.755 0.274
27 HB2 MET 5 HB2 MET 5 0.214 -3.759 -1.187
28 HB3 MET 5 HB3 MET 5 1.728 -4.643 -1.386
29 HG2 MET 5 HG2 MET 5 1.303 -3.967 1.399
30 HG3 MET 5 HG3 MET 5 -0.077 -4.859 0.759
31 HE1 MET 5 HE1 MET 5 1.929 -7.018 -1.547
32 HE2 MET 5 HE2 MET 5 0.346 -6.391 -1.090
33 HE3 MET 5 HE3 MET 5 0.869 -7.963 -0.491
Start of MODEL 16
1 H1 TYR 1 H3 TYR 1 -4.080 -6.459 1.247
2 HA TYR 1 HA TYR 1 -5.272 -5.049 -0.579
3 HB2 TYR 1 HB2 TYR 1 -3.654 -4.644 1.755
4 HB3 TYR 1 HB3 TYR 1 -3.367 -3.307 0.641
5 HD1 TYR 1 HD2 TYR 1 -6.076 -5.258 2.313
6 HD2 TYR 1 HD1 TYR 1 -4.975 -1.600 0.349
7 HE1 TYR 1 HE2 TYR 1 -8.264 -4.267 2.932
8 HE2 TYR 1 HE1 TYR 1 -7.162 -0.609 0.966
9 HH TYR 1 H2 TYR 1 -9.736 -2.166 1.729
10 H GLY 2 H GLY 2 -4.452 -3.036 -1.831
11 HA2 GLY 2 HA2 GLY 2 -1.823 -3.473 -3.125
12 HA3 GLY 2 HA3 GLY 2 -3.255 -3.436 -4.157
13 H GLY 3 H GLY 3 -3.369 -1.448 -1.353
14 HA2 GLY 3 HA2 GLY 3 -3.236 0.952 -3.089
15 HA3 GLY 3 HA3 GLY 3 -3.879 0.904 -1.446
16 H PHE 4 H PHE 4 -1.535 -0.594 -0.428
17 HA PHE 4 HA PHE 4 0.557 1.526 -0.637
18 HB2 PHE 4 HB2 PHE 4 0.835 1.025 1.887
19 HB3 PHE 4 HB3 PHE 4 -0.582 1.956 1.402
20 HD1 PHE 4 HD2 PHE 4 -2.816 0.908 1.321
21 HD2 PHE 4 HD1 PHE 4 0.635 -1.254 2.686
22 HE1 PHE 4 HE2 PHE 4 -4.291 -0.824 2.305
23 HE2 PHE 4 HE1 PHE 4 -0.841 -2.988 3.669
24 HZ PHE 4 HZ PHE 4 -3.304 -2.773 3.477
25 H MET 5 H MET 5 -0.206 -1.844 0.212
26 HA MET 5 HA MET 5 2.430 -2.797 0.648
27 HB2 MET 5 HB2 MET 5 -0.219 -3.901 -0.188
28 HB3 MET 5 HB3 MET 5 1.192 -4.948 -0.352
29 HG2 MET 5 HG2 MET 5 1.374 -3.666 2.185
30 HG3 MET 5 HG3 MET 5 -0.265 -4.299 2.027
31 HE1 MET 5 HE1 MET 5 -0.453 -6.206 0.422
32 HE2 MET 5 HE2 MET 5 -0.327 -7.657 1.415
33 HE3 MET 5 HE3 MET 5 0.797 -7.409 0.081
Start of MODEL 17
1 H1 TYR 1 H3 TYR 1 -4.306 -6.246 0.495
2 HA TYR 1 HA TYR 1 -5.785 -5.039 -0.989
3 HB2 TYR 1 HB2 TYR 1 -6.407 -3.568 1.054
4 HB3 TYR 1 HB3 TYR 1 -5.008 -2.594 0.605
5 HD1 TYR 1 HD1 TYR 1 -7.715 -4.351 -1.320
6 HD2 TYR 1 HD2 TYR 1 -5.623 -0.677 -0.562
7 HE1 TYR 1 HE1 TYR 1 -9.060 -3.223 -3.071
8 HE2 TYR 1 HE2 TYR 1 -6.969 0.451 -2.313
9 HH TYR 1 H2 TYR 1 -9.540 -0.180 -3.347
10 H GLY 2 H GLY 2 -4.914 -3.427 -2.660
11 HA2 GLY 2 HA2 GLY 2 -1.926 -3.535 -2.660
12 HA3 GLY 2 HA3 GLY 2 -2.914 -3.577 -4.120
13 H GLY 3 H GLY 3 -3.235 -1.432 -1.297
14 HA2 GLY 3 HA2 GLY 3 -3.002 0.872 -3.178
15 HA3 GLY 3 HA3 GLY 3 -3.831 0.921 -1.622
16 H PHE 4 H PHE 4 -1.512 -0.653 -0.428
17 HA PHE 4 HA PHE 4 0.310 1.688 -0.099
18 HB2 PHE 4 HB2 PHE 4 0.798 0.514 2.101
19 HB3 PHE 4 HB3 PHE 4 -0.863 1.079 1.918
20 HD1 PHE 4 HD1 PHE 4 1.347 -1.884 1.871
21 HD2 PHE 4 HD2 PHE 4 -2.704 -0.471 1.650
22 HE1 PHE 4 HE1 PHE 4 0.520 -4.202 2.177
23 HE2 PHE 4 HE2 PHE 4 -3.530 -2.789 1.955
24 HZ PHE 4 HZ PHE 4 -1.918 -4.654 2.217
25 H MET 5 H MET 5 0.240 -1.858 -0.437
26 HA MET 5 HA MET 5 3.109 -2.167 -0.515
27 HB2 MET 5 HB2 MET 5 2.457 -4.456 -1.298
28 HB3 MET 5 HB3 MET 5 1.577 -3.951 0.146
29 HG2 MET 5 HG2 MET 5 -0.323 -4.402 -0.986
30 HG3 MET 5 HG3 MET 5 0.033 -2.985 -1.975
31 HE1 MET 5 HE1 MET 5 0.138 -2.840 -3.944
32 HE2 MET 5 HE2 MET 5 -0.928 -4.070 -4.616
33 HE3 MET 5 HE3 MET 5 0.722 -3.921 -5.216
Start of MODEL 18
1 H1 TYR 1 H3 TYR 1 -4.637 -6.307 0.428
2 HA TYR 1 HA TYR 1 -5.896 -5.064 -1.177
3 HB2 TYR 1 HB2 TYR 1 -6.623 -3.538 0.790
4 HB3 TYR 1 HB3 TYR 1 -5.171 -2.608 0.424
5 HD1 TYR 1 HD2 TYR 1 -8.092 -4.159 -1.354
6 HD2 TYR 1 HD1 TYR 1 -5.339 -0.870 -1.118
7 HE1 TYR 1 HE2 TYR 1 -9.282 -3.030 -3.214
8 HE2 TYR 1 HE1 TYR 1 -6.529 0.260 -2.977
9 HH TYR 1 H2 TYR 1 -8.427 0.252 -4.215
10 H GLY 2 H GLY 2 -4.859 -3.242 -2.667
11 HA2 GLY 2 HA2 GLY 2 -1.885 -3.533 -2.508
12 HA3 GLY 2 HA3 GLY 2 -2.769 -3.567 -4.035
13 H GLY 3 H GLY 3 -3.479 -1.374 -1.360
14 HA2 GLY 3 HA2 GLY 3 -2.980 0.897 -3.205
15 HA3 GLY 3 HA3 GLY 3 -3.895 0.981 -1.699
16 H PHE 4 H PHE 4 -1.451 -0.759 -0.663
17 HA PHE 4 HA PHE 4 0.272 1.613 -0.081
18 HB2 PHE 4 HB2 PHE 4 0.710 0.309 2.071
19 HB3 PHE 4 HB3 PHE 4 -0.934 0.918 1.876
20 HD1 PHE 4 HD1 PHE 4 -2.787 -0.594 1.324
21 HD2 PHE 4 HD2 PHE 4 1.207 -2.070 1.885
22 HE1 PHE 4 HE1 PHE 4 -3.664 -2.907 1.490
23 HE2 PHE 4 HE2 PHE 4 0.330 -4.383 2.051
24 HZ PHE 4 HZ PHE 4 -2.106 -4.801 1.853
25 H MET 5 H MET 5 0.270 -1.931 -0.513
26 HA MET 5 HA MET 5 3.142 -2.187 -0.550
27 HB2 MET 5 HB2 MET 5 2.511 -4.454 -1.491
28 HB3 MET 5 HB3 MET 5 1.700 -4.041 0.019
29 HG2 MET 5 HG2 MET 5 -0.300 -4.260 -0.985
30 HG3 MET 5 HG3 MET 5 0.138 -3.002 -2.139
31 HE1 MET 5 HE1 MET 5 -0.523 -6.215 -1.144
32 HE2 MET 5 HE2 MET 5 0.240 -7.413 -2.186
33 HE3 MET 5 HE3 MET 5 -1.286 -6.680 -2.671
Start of MODEL 19
1 H1 TYR 1 H3 TYR 1 -4.533 -4.516 1.570
2 HA TYR 1 HA TYR 1 -5.794 -5.019 -1.063
3 HB2 TYR 1 HB2 TYR 1 -6.620 -3.439 0.809
4 HB3 TYR 1 HB3 TYR 1 -5.200 -2.462 0.436
5 HD1 TYR 1 HD1 TYR 1 -7.678 -4.380 -1.637
6 HD2 TYR 1 HD2 TYR 1 -5.744 -0.621 -0.879
7 HE1 TYR 1 HE1 TYR 1 -8.871 -3.379 -3.567
8 HE2 TYR 1 HE2 TYR 1 -6.935 0.382 -2.809
9 HH TYR 1 H2 TYR 1 -8.595 -1.496 -5.119
10 H GLY 2 H GLY 2 -4.845 -3.389 -2.722
11 HA2 GLY 2 HA2 GLY 2 -1.864 -3.524 -2.552
12 HA3 GLY 2 HA3 GLY 2 -2.773 -3.543 -4.064
13 H GLY 3 H GLY 3 -3.476 -1.401 -1.348
14 HA2 GLY 3 HA2 GLY 3 -3.088 0.907 -3.159
15 HA3 GLY 3 HA3 GLY 3 -3.887 0.953 -1.587
16 H PHE 4 H PHE 4 -1.513 -0.680 -0.511
17 HA PHE 4 HA PHE 4 0.364 1.632 -0.258
18 HB2 PHE 4 HB2 PHE 4 0.787 0.553 2.026
19 HB3 PHE 4 HB3 PHE 4 -0.809 1.270 1.799
20 HD1 PHE 4 HD1 PHE 4 -2.793 -0.135 1.477
21 HD2 PHE 4 HD2 PHE 4 1.088 -1.864 2.105
22 HE1 PHE 4 HE1 PHE 4 -3.848 -2.333 1.937
23 HE2 PHE 4 HE2 PHE 4 0.034 -4.062 2.565
24 HZ PHE 4 HZ PHE 4 -2.433 -4.296 2.481
25 H MET 5 H MET 5 0.136 -1.930 -0.269
26 HA MET 5 HA MET 5 2.996 -2.346 -0.343
27 HB2 MET 5 HB2 MET 5 2.319 -4.672 -0.714
28 HB3 MET 5 HB3 MET 5 1.282 -3.945 0.513
29 HG2 MET 5 HG2 MET 5 -0.402 -4.772 -0.787
30 HG3 MET 5 HG3 MET 5 -0.108 -3.319 -1.743
31 HE1 MET 5 HE1 MET 5 -0.224 -7.226 -1.879
32 HE2 MET 5 HE2 MET 5 -0.628 -7.014 -3.580
33 HE3 MET 5 HE3 MET 5 -1.422 -6.019 -2.363
Start of MODEL 20
1 H1 TYR 1 H3 TYR 1 -3.627 -6.571 0.083
2 HA TYR 1 HA TYR 1 -5.534 -5.112 -0.739
3 HB2 TYR 1 HB2 TYR 1 -5.266 -4.010 1.673
4 HB3 TYR 1 HB3 TYR 1 -4.112 -2.985 0.819
5 HD1 TYR 1 HD2 TYR 1 -7.299 -4.548 -0.367
6 HD2 TYR 1 HD1 TYR 1 -5.178 -0.915 0.501
7 HE1 TYR 1 HE2 TYR 1 -9.170 -3.229 -1.319
8 HE2 TYR 1 HE1 TYR 1 -7.050 0.405 -0.451
9 HH TYR 1 H2 TYR 1 -10.007 -1.190 -1.632
10 H GLY 2 H GLY 2 -4.893 -3.350 -2.329
11 HA2 GLY 2 HA2 GLY 2 -1.985 -3.551 -2.999
12 HA3 GLY 2 HA3 GLY 2 -3.247 -3.544 -4.232
13 H GLY 3 H GLY 3 -3.001 -1.512 -1.320
14 HA2 GLY 3 HA2 GLY 3 -3.017 0.859 -3.140
15 HA3 GLY 3 HA3 GLY 3 -3.736 0.848 -1.529
16 H PHE 4 H PHE 4 -1.622 -0.459 -0.143
17 HA PHE 4 HA PHE 4 0.348 1.761 -0.089
18 HB2 PHE 4 HB2 PHE 4 0.903 0.657 2.133
19 HB3 PHE 4 HB3 PHE 4 -0.754 1.248 1.993
20 HD1 PHE 4 HD2 PHE 4 1.377 -1.794 1.745
21 HD2 PHE 4 HD1 PHE 4 -2.612 -0.237 2.084
22 HE1 PHE 4 HE2 PHE 4 0.520 -4.082 2.170
23 HE2 PHE 4 HE1 PHE 4 -3.468 -2.524 2.510
24 HZ PHE 4 HZ PHE 4 -1.903 -4.446 2.551
25 H MET 5 H MET 5 0.179 -1.776 -0.419
26 HA MET 5 HA MET 5 3.057 -2.123 -0.544
27 HB2 MET 5 HB2 MET 5 2.329 -4.437 -1.259
28 HB3 MET 5 HB3 MET 5 1.608 -3.889 0.255
29 HG2 MET 5 HG2 MET 5 -0.438 -4.179 -0.627
30 HG3 MET 5 HG3 MET 5 -0.064 -2.978 -1.864
31 HE1 MET 5 HE1 MET 5 1.102 -6.187 -0.627
32 HE2 MET 5 HE2 MET 5 1.417 -7.227 -2.014
33 HE3 MET 5 HE3 MET 5 -0.208 -7.140 -1.338