Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
589050 | 2n08 RC | 25517 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 HT1 HIS 1 7.591 -11.303 3.257
2 H2 HIS 1 HT2 HIS 1 7.515 -10.386 1.837
3 H3 HIS 1 HT3 HIS 1 6.173 -10.469 2.862
4 HA HIS 1 HA HIS 1 7.741 -9.488 4.626
5 HB2 HIS 1 HB2 HIS 1 9.091 -8.689 2.034
6 HB3 HIS 1 HB1 HIS 1 9.465 -8.017 3.615
7 HD1 HIS 1 HD1 HIS 1 9.423 -11.471 1.992
8 HD2 HIS 1 HD2 HIS 1 11.546 -9.259 4.797
9 HE1 HIS 1 HE1 HIS 1 11.317 -12.953 2.722
10 HE2 HIS 1 HE2 HIS 1 12.536 -11.627 4.483
11 H ALA 2 HN ALA 2 6.572 -7.868 5.361
12 HA ALA 2 HA ALA 2 4.993 -6.231 5.481
13 HB1 ALA 2 HB1 ALA 2 6.525 -5.063 3.168
14 HB2 ALA 2 HB2 ALA 2 7.071 -5.020 4.844
15 HB3 ALA 2 HB3 ALA 2 5.583 -4.195 4.380
16 H GLU 3 HN GLU 3 4.561 -8.457 3.347
17 HA GLU 3 HA GLU 3 2.826 -9.065 2.018
18 HB2 GLU 3 HB2 GLU 3 1.416 -7.736 3.552
19 HB3 GLU 3 HB1 GLU 3 1.703 -6.313 2.565
20 HG2 GLU 3 HG2 GLU 3 -0.454 -7.200 2.047
21 HG3 GLU 3 HG1 GLU 3 0.609 -7.448 0.666
22 H GLY 4 HN GLY 4 4.751 -6.306 1.309
23 HA2 GLY 4 HA2 GLY 4 3.756 -5.674 -1.265
24 HA3 GLY 4 HA1 GLY 4 5.346 -5.267 -0.636
25 H THR 5 HN THR 5 6.318 -7.833 -0.123
26 HA THR 5 HA THR 5 7.357 -8.532 -2.627
27 HB THR 5 HB THR 5 8.239 -10.546 -1.525
28 HG1 THR 5 HG1 THR 5 6.867 -11.265 -0.047
29 HG21 THR 5 HG21 THR 5 8.461 -8.043 0.141
30 HG22 THR 5 HG22 THR 5 9.448 -8.451 -1.263
31 HG23 THR 5 HG23 THR 5 9.566 -9.415 0.209
32 H PHE 6 HN PHE 6 4.734 -9.999 -0.728
33 HA PHE 6 HA PHE 6 4.235 -12.206 -2.381
34 HB2 PHE 6 HB2 PHE 6 3.258 -11.976 -0.138
35 HB3 PHE 6 HB1 PHE 6 2.278 -10.625 -0.695
36 HD1 PHE 6 HD1 PHE 6 2.990 -14.018 -2.087
37 HD2 PHE 6 HD2 PHE 6 0.065 -11.223 -0.767
38 HE1 PHE 6 HE1 PHE 6 1.207 -15.582 -2.739
39 HE2 PHE 6 HE2 PHE 6 -1.723 -12.783 -1.414
40 HZ PHE 6 HZ PHE 6 -1.153 -14.966 -2.402
41 H THR 7 HN THR 7 2.992 -8.891 -2.485
42 HA THR 7 HA THR 7 1.119 -9.202 -4.544
43 HB THR 7 HB THR 7 2.781 -6.757 -3.893
44 HG1 THR 7 HG1 THR 7 1.626 -6.970 -2.104
45 HG21 THR 7 HG21 THR 7 0.250 -7.117 -5.496
46 HG22 THR 7 HG22 THR 7 1.779 -6.417 -6.027
47 HG23 THR 7 HG23 THR 7 0.774 -5.558 -4.860
48 H SER 8 HN SER 8 4.554 -8.306 -4.662
49 HA SER 8 HA SER 8 4.747 -7.924 -7.438
50 HB2 SER 8 HB2 SER 8 6.886 -8.823 -5.489
51 HB3 SER 8 HB1 SER 8 7.182 -8.209 -7.116
52 HG SER 8 HG SER 8 6.734 -6.226 -6.468
53 H ASP 9 HN ASP 9 5.266 -10.812 -5.439
54 HA ASP 9 HA ASP 9 6.122 -12.521 -7.515
55 HB2 ASP 9 HB2 ASP 9 6.395 -12.953 -5.060
56 HB3 ASP 9 HB1 ASP 9 4.673 -13.297 -4.971
57 H PHE 10 HN PHE 10 2.908 -11.949 -6.096
58 HA PHE 10 HA PHE 10 1.467 -13.844 -7.546
59 HB2 PHE 10 HB2 PHE 10 0.520 -12.669 -5.627
60 HB3 PHE 10 HB1 PHE 10 0.561 -11.148 -6.512
61 HD1 PHE 10 HD2 PHE 10 -0.651 -14.588 -7.333
62 HD2 PHE 10 HD1 PHE 10 -1.555 -10.440 -7.024
63 HE1 PHE 10 HE2 PHE 10 -2.920 -15.023 -8.177
64 HE2 PHE 10 HE1 PHE 10 -3.826 -10.869 -7.865
65 HZ PHE 10 HZ PHE 10 -4.511 -13.162 -8.445
66 H PHE 11 HN PHE 11 2.102 -10.431 -8.327
67 HA PHE 11 HA PHE 11 0.681 -10.449 -10.781
68 HB2 PHE 11 HB2 PHE 11 2.772 -8.607 -9.633
69 HB3 PHE 11 HB1 PHE 11 2.114 -8.363 -11.246
70 HD1 PHE 11 HD2 PHE 11 0.399 -9.418 -8.099
71 HD2 PHE 11 HD1 PHE 11 0.840 -6.447 -11.117
72 HE1 PHE 11 HE2 PHE 11 -1.495 -8.174 -7.147
73 HE2 PHE 11 HE1 PHE 11 -1.054 -5.198 -10.166
74 HZ PHE 11 HZ PHE 11 -2.224 -6.062 -8.180
75 HN1 NH2 12 H2 PHE 11 4.611 -11.304 -11.624
76 HN2 NH2 12 H1 PHE 11 4.184 -10.565 -10.122
Start of MODEL 2
1 H1 HIS 1 HT1 HIS 1 8.592 -10.621 1.107
2 H2 HIS 1 HT2 HIS 1 6.992 -11.104 1.359
3 H3 HIS 1 HT3 HIS 1 8.260 -12.018 2.001
4 HA HIS 1 HA HIS 1 7.767 -10.915 3.873
5 HB2 HIS 1 HB2 HIS 1 9.390 -8.898 2.307
6 HB3 HIS 1 HB1 HIS 1 9.133 -8.817 4.046
7 HD1 HIS 1 HD1 HIS 1 10.477 -11.408 1.581
8 HD2 HIS 1 HD2 HIS 1 11.168 -9.937 5.405
9 HE1 HIS 1 HE1 HIS 1 12.488 -12.654 2.426
10 HE2 HIS 1 HE2 HIS 1 12.839 -11.806 4.772
11 H ALA 2 HN ALA 2 6.190 -9.903 4.860
12 HA ALA 2 HA ALA 2 4.274 -8.735 5.190
13 HB1 ALA 2 HB1 ALA 2 5.524 -6.531 3.577
14 HB2 ALA 2 HB2 ALA 2 6.131 -6.977 5.171
15 HB3 ALA 2 HB3 ALA 2 4.472 -6.410 4.987
16 H GLU 3 HN GLU 3 3.382 -6.578 3.248
17 HA GLU 3 HA GLU 3 2.101 -8.381 1.311
18 HB2 GLU 3 HB2 GLU 3 0.298 -6.702 1.181
19 HB3 GLU 3 HB1 GLU 3 0.516 -7.313 2.814
20 HG2 GLU 3 HG2 GLU 3 1.748 -5.295 3.414
21 HG3 GLU 3 HG1 GLU 3 1.550 -4.683 1.773
22 H GLY 4 HN GLY 4 4.712 -7.373 0.847
23 HA2 GLY 4 HA2 GLY 4 4.210 -5.511 -1.395
24 HA3 GLY 4 HA1 GLY 4 5.681 -5.486 -0.434
25 H THR 5 HN THR 5 6.399 -8.105 -0.274
26 HA THR 5 HA THR 5 7.485 -8.583 -2.862
27 HB THR 5 HB THR 5 7.444 -10.440 -0.475
28 HG1 THR 5 HG1 THR 5 8.574 -8.664 0.160
29 HG21 THR 5 HG21 THR 5 9.548 -11.320 -1.599
30 HG22 THR 5 HG22 THR 5 9.025 -10.444 -3.038
31 HG23 THR 5 HG23 THR 5 8.018 -11.731 -2.374
32 H PHE 6 HN PHE 6 4.911 -10.081 -0.964
33 HA PHE 6 HA PHE 6 4.324 -12.213 -2.689
34 HB2 PHE 6 HB2 PHE 6 2.671 -10.695 -0.680
35 HB3 PHE 6 HB1 PHE 6 1.991 -12.015 -1.621
36 HD1 PHE 6 HD2 PHE 6 5.203 -11.483 0.233
37 HD2 PHE 6 HD1 PHE 6 1.780 -13.932 -0.401
38 HE1 PHE 6 HE2 PHE 6 6.057 -13.096 1.879
39 HE2 PHE 6 HE1 PHE 6 2.629 -15.548 1.247
40 HZ PHE 6 HZ PHE 6 4.771 -15.132 2.388
41 H THR 7 HN THR 7 3.151 -8.873 -2.599
42 HA THR 7 HA THR 7 1.176 -9.063 -4.574
43 HB THR 7 HB THR 7 2.923 -6.682 -3.910
44 HG1 THR 7 HG1 THR 7 0.375 -7.495 -2.906
45 HG21 THR 7 HG21 THR 7 0.320 -6.918 -5.418
46 HG22 THR 7 HG22 THR 7 1.846 -6.243 -5.990
47 HG23 THR 7 HG23 THR 7 0.916 -5.397 -4.753
48 H SER 8 HN SER 8 4.613 -8.188 -4.851
49 HA SER 8 HA SER 8 4.619 -7.771 -7.640
50 HB2 SER 8 HB2 SER 8 6.408 -6.941 -6.174
51 HB3 SER 8 HB1 SER 8 6.906 -8.597 -5.832
52 HG SER 8 HG SER 8 7.423 -7.025 -8.014
53 H ASP 9 HN ASP 9 5.268 -10.654 -5.683
54 HA ASP 9 HA ASP 9 6.120 -12.319 -7.799
55 HB2 ASP 9 HB2 ASP 9 6.556 -12.800 -5.417
56 HB3 ASP 9 HB1 ASP 9 4.839 -13.088 -5.164
57 H PHE 10 HN PHE 10 2.936 -11.960 -6.233
58 HA PHE 10 HA PHE 10 1.627 -13.874 -7.859
59 HB2 PHE 10 HB2 PHE 10 0.615 -11.654 -6.094
60 HB3 PHE 10 HB1 PHE 10 -0.479 -12.679 -7.014
61 HD1 PHE 10 HD2 PHE 10 2.647 -13.620 -5.203
62 HD2 PHE 10 HD1 PHE 10 -1.595 -13.915 -5.411
63 HE1 PHE 10 HE2 PHE 10 2.678 -15.284 -3.397
64 HE2 PHE 10 HE1 PHE 10 -1.569 -15.581 -3.603
65 HZ PHE 10 HZ PHE 10 0.569 -16.268 -2.594
66 H PHE 11 HN PHE 11 1.735 -10.320 -8.019
67 HA PHE 11 HA PHE 11 0.070 -10.132 -10.314
68 HB2 PHE 11 HB2 PHE 11 1.982 -8.194 -9.018
69 HB3 PHE 11 HB1 PHE 11 1.089 -7.789 -10.477
70 HD1 PHE 11 HD1 PHE 11 0.006 -9.634 -7.411
71 HD2 PHE 11 HD2 PHE 11 -0.458 -6.197 -9.880
72 HE1 PHE 11 HE1 PHE 11 -1.911 -8.920 -6.050
73 HE2 PHE 11 HE2 PHE 11 -2.377 -5.478 -8.520
74 HZ PHE 11 HZ PHE 11 -3.105 -6.839 -6.602
75 HN1 NH2 12 H2 PHE 11 3.964 -10.037 -11.625
76 HN2 NH2 12 H1 PHE 11 3.582 -9.579 -10.004
Start of MODEL 3
1 H1 HIS 1 HT1 HIS 1 8.904 -12.360 1.113
2 H2 HIS 1 HT2 HIS 1 8.979 -10.727 0.682
3 H3 HIS 1 HT3 HIS 1 7.507 -11.557 0.600
4 HA HIS 1 HA HIS 1 7.616 -11.900 3.028
5 HB2 HIS 1 HB2 HIS 1 9.917 -9.958 2.744
6 HB3 HIS 1 HB1 HIS 1 9.190 -10.436 4.274
7 HD1 HIS 1 HD1 HIS 1 9.181 -13.304 4.425
8 HD2 HIS 1 HD2 HIS 1 12.180 -11.348 2.316
9 HE1 HIS 1 HE1 HIS 1 11.082 -14.943 4.284
10 HE2 HIS 1 HE2 HIS 1 12.851 -13.769 2.928
11 H ALA 2 HN ALA 2 6.186 -10.796 4.127
12 HA ALA 2 HA ALA 2 4.626 -9.243 4.642
13 HB1 ALA 2 HB1 ALA 2 6.159 -7.142 3.158
14 HB2 ALA 2 HB2 ALA 2 6.763 -7.790 4.682
15 HB3 ALA 2 HB3 ALA 2 5.191 -6.993 4.625
16 H GLU 3 HN GLU 3 2.894 -8.015 3.739
17 HA GLU 3 HA GLU 3 1.762 -9.057 1.451
18 HB2 GLU 3 HB2 GLU 3 0.421 -7.927 3.088
19 HB3 GLU 3 HB1 GLU 3 1.287 -6.420 2.845
20 HG2 GLU 3 HG2 GLU 3 -0.227 -7.646 0.582
21 HG3 GLU 3 HG1 GLU 3 -1.083 -6.754 1.838
22 H GLY 4 HN GLY 4 4.230 -6.638 1.683
23 HA2 GLY 4 HA2 GLY 4 3.747 -5.281 -0.767
24 HA3 GLY 4 HA1 GLY 4 5.263 -5.311 0.119
25 H THR 5 HN THR 5 6.169 -7.795 0.034
26 HA THR 5 HA THR 5 6.944 -8.117 -2.693
27 HB THR 5 HB THR 5 7.444 -9.956 -0.348
28 HG1 THR 5 HG1 THR 5 8.691 -8.336 0.217
29 HG21 THR 5 HG21 THR 5 7.867 -11.222 -2.293
30 HG22 THR 5 HG22 THR 5 9.444 -10.615 -1.792
31 HG23 THR 5 HG23 THR 5 8.588 -9.847 -3.129
32 H PHE 6 HN PHE 6 4.743 -9.839 -0.534
33 HA PHE 6 HA PHE 6 4.223 -12.099 -2.061
34 HB2 PHE 6 HB2 PHE 6 2.530 -10.509 -0.150
35 HB3 PHE 6 HB1 PHE 6 1.873 -11.913 -0.979
36 HD1 PHE 6 HD1 PHE 6 5.281 -11.398 0.451
37 HD2 PHE 6 HD2 PHE 6 1.584 -13.497 0.678
38 HE1 PHE 6 HE1 PHE 6 6.224 -12.866 2.181
39 HE2 PHE 6 HE2 PHE 6 2.524 -14.967 2.410
40 HZ PHE 6 HZ PHE 6 4.846 -14.653 3.164
41 H THR 7 HN THR 7 2.745 -8.878 -2.245
42 HA THR 7 HA THR 7 0.873 -9.501 -4.276
43 HB THR 7 HB THR 7 2.084 -6.842 -3.494
44 HG1 THR 7 HG1 THR 7 -0.391 -8.098 -2.819
45 HG21 THR 7 HG21 THR 7 0.022 -5.904 -4.599
46 HG22 THR 7 HG22 THR 7 -0.238 -7.497 -5.308
47 HG23 THR 7 HG23 THR 7 1.216 -6.582 -5.705
48 H SER 8 HN SER 8 4.100 -8.006 -4.381
49 HA SER 8 HA SER 8 4.212 -7.550 -7.143
50 HB2 SER 8 HB2 SER 8 5.800 -6.547 -5.563
51 HB3 SER 8 HB1 SER 8 6.491 -8.137 -5.236
52 HG SER 8 HG SER 8 7.578 -8.031 -7.040
53 H ASP 9 HN ASP 9 5.131 -10.399 -5.245
54 HA ASP 9 HA ASP 9 6.287 -11.850 -7.383
55 HB2 ASP 9 HB2 ASP 9 6.723 -12.346 -5.005
56 HB3 ASP 9 HB1 ASP 9 5.058 -12.880 -4.815
57 H PHE 10 HN PHE 10 3.046 -12.021 -5.897
58 HA PHE 10 HA PHE 10 2.079 -14.031 -7.645
59 HB2 PHE 10 HB2 PHE 10 0.706 -12.088 -5.801
60 HB3 PHE 10 HB1 PHE 10 -0.202 -13.214 -6.802
61 HD1 PHE 10 HD2 PHE 10 2.987 -13.740 -4.930
62 HD2 PHE 10 HD1 PHE 10 -1.137 -14.721 -5.326
63 HE1 PHE 10 HE2 PHE 10 3.240 -15.479 -3.213
64 HE2 PHE 10 HE1 PHE 10 -0.889 -16.462 -3.607
65 HZ PHE 10 HZ PHE 10 1.301 -16.844 -2.549
66 H PHE 11 HN PHE 11 1.633 -10.500 -7.632
67 HA PHE 11 HA PHE 11 0.024 -10.475 -9.982
68 HB2 PHE 11 HB2 PHE 11 1.510 -8.299 -8.512
69 HB3 PHE 11 HB1 PHE 11 0.579 -7.985 -9.970
70 HD1 PHE 11 HD1 PHE 11 -0.148 -10.135 -6.993
71 HD2 PHE 11 HD2 PHE 11 -1.283 -6.790 -9.369
72 HE1 PHE 11 HE1 PHE 11 -2.186 -9.875 -5.646
73 HE2 PHE 11 HE2 PHE 11 -3.324 -6.525 -8.023
74 HZ PHE 11 HZ PHE 11 -3.777 -8.068 -6.159
75 HN1 NH2 12 H2 PHE 11 3.876 -9.582 -11.101
76 HN2 NH2 12 H1 PHE 11 3.352 -9.288 -9.482
Start of MODEL 4
1 H1 HIS 1 HT1 HIS 1 9.702 -8.848 2.137
2 H2 HIS 1 HT2 HIS 1 10.457 -7.830 3.254
3 H3 HIS 1 HT3 HIS 1 9.520 -7.170 2.010
4 HA HIS 1 HA HIS 1 8.693 -8.463 4.498
5 HB2 HIS 1 HB2 HIS 1 7.682 -6.137 2.843
6 HB3 HIS 1 HB1 HIS 1 6.951 -6.665 4.353
7 HD1 HIS 1 HD1 HIS 1 10.414 -5.554 3.184
8 HD2 HIS 1 HD2 HIS 1 7.890 -5.286 6.475
9 HE1 HIS 1 HE1 HIS 1 11.628 -4.109 4.846
10 HE2 HIS 1 HE2 HIS 1 10.116 -4.027 6.860
11 H ALA 2 HN ALA 2 6.892 -9.694 4.729
12 HA ALA 2 HA ALA 2 5.993 -11.273 2.604
13 HB1 ALA 2 HB1 ALA 2 4.662 -10.755 5.260
14 HB2 ALA 2 HB2 ALA 2 5.841 -12.018 4.906
15 HB3 ALA 2 HB3 ALA 2 4.249 -12.061 4.149
16 H GLU 3 HN GLU 3 4.508 -8.420 4.117
17 HA GLU 3 HA GLU 3 2.079 -8.454 2.724
18 HB2 GLU 3 HB2 GLU 3 3.609 -6.048 3.736
19 HB3 GLU 3 HB1 GLU 3 1.903 -6.075 3.310
20 HG2 GLU 3 HG2 GLU 3 1.450 -7.630 5.116
21 HG3 GLU 3 HG1 GLU 3 3.165 -7.685 5.520
22 H GLY 4 HN GLY 4 5.099 -6.722 1.981
23 HA2 GLY 4 HA2 GLY 4 4.165 -5.683 -0.513
24 HA3 GLY 4 HA1 GLY 4 5.830 -5.706 0.047
25 H THR 5 HN THR 5 6.015 -8.535 0.443
26 HA THR 5 HA THR 5 6.919 -9.379 -2.048
27 HB THR 5 HB THR 5 6.047 -11.126 0.268
28 HG1 THR 5 HG1 THR 5 7.683 -10.035 1.126
29 HG21 THR 5 HG21 THR 5 7.623 -11.673 -2.226
30 HG22 THR 5 HG22 THR 5 6.310 -12.608 -1.510
31 HG23 THR 5 HG23 THR 5 7.905 -12.610 -0.758
32 H PHE 6 HN PHE 6 3.824 -10.054 -0.427
33 HA PHE 6 HA PHE 6 2.752 -11.862 -2.240
34 HB2 PHE 6 HB2 PHE 6 1.741 -10.156 -0.121
35 HB3 PHE 6 HB1 PHE 6 0.584 -10.296 -1.439
36 HD1 PHE 6 HD2 PHE 6 2.987 -12.736 0.048
37 HD2 PHE 6 HD1 PHE 6 -1.066 -11.764 -0.816
38 HE1 PHE 6 HE2 PHE 6 2.283 -14.935 0.898
39 HE2 PHE 6 HE1 PHE 6 -1.777 -13.961 0.033
40 HZ PHE 6 HZ PHE 6 -0.102 -15.549 0.891
41 H THR 7 HN THR 7 2.640 -8.307 -2.317
42 HA THR 7 HA THR 7 0.997 -7.983 -4.547
43 HB THR 7 HB THR 7 3.342 -6.242 -3.741
44 HG1 THR 7 HG1 THR 7 2.055 -6.033 -2.041
45 HG21 THR 7 HG21 THR 7 2.698 -5.573 -5.913
46 HG22 THR 7 HG22 THR 7 1.883 -4.453 -4.822
47 HG23 THR 7 HG23 THR 7 0.983 -5.781 -5.556
48 H SER 8 HN SER 8 4.526 -8.305 -4.358
49 HA SER 8 HA SER 8 5.016 -8.121 -7.139
50 HB2 SER 8 HB2 SER 8 6.669 -9.436 -4.968
51 HB3 SER 8 HB1 SER 8 7.239 -9.060 -6.592
52 HG SER 8 HG SER 8 6.777 -7.380 -4.430
53 H ASP 9 HN ASP 9 4.361 -10.844 -4.990
54 HA ASP 9 HA ASP 9 5.009 -12.969 -6.662
55 HB2 ASP 9 HB2 ASP 9 2.867 -12.756 -4.539
56 HB3 ASP 9 HB1 ASP 9 3.340 -14.268 -5.302
57 H PHE 10 HN PHE 10 2.022 -11.075 -6.505
58 HA PHE 10 HA PHE 10 0.377 -12.658 -8.078
59 HB2 PHE 10 HB2 PHE 10 0.494 -9.682 -7.664
60 HB3 PHE 10 HB1 PHE 10 -0.692 -10.402 -8.744
61 HD1 PHE 10 HD1 PHE 10 0.467 -11.919 -5.573
62 HD2 PHE 10 HD2 PHE 10 -2.633 -9.799 -7.574
63 HE1 PHE 10 HE1 PHE 10 -1.029 -12.316 -3.665
64 HE2 PHE 10 HE2 PHE 10 -4.137 -10.195 -5.669
65 HZ PHE 10 HZ PHE 10 -3.335 -11.454 -3.710
66 H PHE 11 HN PHE 11 2.653 -10.138 -9.125
67 HA PHE 11 HA PHE 11 2.072 -10.646 -11.914
68 HB2 PHE 11 HB2 PHE 11 4.085 -8.814 -10.594
69 HB3 PHE 11 HB1 PHE 11 3.847 -8.931 -12.334
70 HD1 PHE 11 HD2 PHE 11 1.543 -8.649 -9.392
71 HD2 PHE 11 HD1 PHE 11 2.755 -7.097 -13.167
72 HE1 PHE 11 HE2 PHE 11 -0.234 -6.960 -9.260
73 HE2 PHE 11 HE1 PHE 11 0.976 -5.397 -13.039
74 HZ PHE 11 HZ PHE 11 -0.521 -5.330 -11.083
75 HN1 NH2 12 H2 PHE 11 5.804 -12.036 -10.895
76 HN2 NH2 12 H1 PHE 11 5.071 -10.771 -9.975
Start of MODEL 5
1 H1 HIS 1 HT1 HIS 1 10.384 -8.039 3.578
2 H2 HIS 1 HT2 HIS 1 10.224 -6.533 4.329
3 H3 HIS 1 HT3 HIS 1 9.564 -6.787 2.791
4 HA HIS 1 HA HIS 1 8.720 -8.307 5.180
5 HB2 HIS 1 HB2 HIS 1 6.656 -6.750 4.997
6 HB3 HIS 1 HB1 HIS 1 8.103 -6.155 5.794
7 HD1 HIS 1 HD1 HIS 1 7.209 -6.201 2.092
8 HD2 HIS 1 HD2 HIS 1 8.213 -3.535 5.114
9 HE1 HIS 1 HE1 HIS 1 7.328 -3.948 0.987
10 HE2 HIS 1 HE2 HIS 1 7.947 -2.349 2.833
11 H ALA 2 HN ALA 2 6.907 -9.545 4.902
12 HA ALA 2 HA ALA 2 6.577 -10.749 2.362
13 HB1 ALA 2 HB1 ALA 2 6.257 -12.009 4.406
14 HB2 ALA 2 HB2 ALA 2 4.784 -12.049 3.436
15 HB3 ALA 2 HB3 ALA 2 4.883 -10.994 4.845
16 H GLU 3 HN GLU 3 4.650 -8.354 4.129
17 HA GLU 3 HA GLU 3 2.299 -8.343 2.709
18 HB2 GLU 3 HB2 GLU 3 3.794 -5.922 3.732
19 HB3 GLU 3 HB1 GLU 3 2.094 -5.952 3.286
20 HG2 GLU 3 HG2 GLU 3 1.622 -7.518 5.072
21 HG3 GLU 3 HG1 GLU 3 3.332 -7.585 5.493
22 H GLY 4 HN GLY 4 5.251 -6.538 1.885
23 HA2 GLY 4 HA2 GLY 4 4.172 -5.497 -0.559
24 HA3 GLY 4 HA1 GLY 4 5.848 -5.413 -0.040
25 H THR 5 HN THR 5 6.378 -8.149 0.252
26 HA THR 5 HA THR 5 7.153 -8.869 -2.328
27 HB THR 5 HB THR 5 6.794 -10.676 0.072
28 HG1 THR 5 HG1 THR 5 9.099 -9.298 -0.899
29 HG21 THR 5 HG21 THR 5 6.990 -12.074 -1.839
30 HG22 THR 5 HG22 THR 5 8.591 -12.020 -1.102
31 HG23 THR 5 HG23 THR 5 8.250 -11.057 -2.539
32 H PHE 6 HN PHE 6 4.343 -9.944 -0.425
33 HA PHE 6 HA PHE 6 3.409 -11.939 -2.123
34 HB2 PHE 6 HB2 PHE 6 2.559 -11.097 0.230
35 HB3 PHE 6 HB1 PHE 6 1.449 -10.140 -0.746
36 HD1 PHE 6 HD1 PHE 6 2.749 -13.640 -0.837
37 HD2 PHE 6 HD2 PHE 6 -0.645 -11.070 -0.905
38 HE1 PHE 6 HE1 PHE 6 1.277 -15.598 -1.051
39 HE2 PHE 6 HE2 PHE 6 -2.123 -13.027 -1.119
40 HZ PHE 6 HZ PHE 6 -1.162 -15.294 -1.191
41 H THR 7 HN THR 7 2.887 -8.437 -2.239
42 HA THR 7 HA THR 7 0.981 -8.362 -4.302
43 HB THR 7 HB THR 7 3.102 -6.292 -3.673
44 HG1 THR 7 HG1 THR 7 1.962 -6.334 -1.849
45 HG21 THR 7 HG21 THR 7 2.162 -5.728 -5.766
46 HG22 THR 7 HG22 THR 7 1.307 -4.736 -4.585
47 HG23 THR 7 HG23 THR 7 0.538 -6.178 -5.247
48 H SER 8 HN SER 8 4.526 -8.119 -4.401
49 HA SER 8 HA SER 8 4.754 -7.887 -7.210
50 HB2 SER 8 HB2 SER 8 6.558 -7.291 -5.590
51 HB3 SER 8 HB1 SER 8 6.795 -9.009 -5.273
52 HG SER 8 HG SER 8 7.456 -7.501 -7.522
53 H ASP 9 HN ASP 9 4.749 -10.661 -5.023
54 HA ASP 9 HA ASP 9 5.524 -12.677 -6.767
55 HB2 ASP 9 HB2 ASP 9 5.273 -12.985 -4.342
56 HB3 ASP 9 HB1 ASP 9 3.526 -12.840 -4.501
57 H PHE 10 HN PHE 10 2.331 -11.222 -6.297
58 HA PHE 10 HA PHE 10 0.726 -13.003 -7.651
59 HB2 PHE 10 HB2 PHE 10 0.547 -10.252 -6.819
60 HB3 PHE 10 HB1 PHE 10 -0.197 -10.448 -8.401
61 HD1 PHE 10 HD1 PHE 10 -0.059 -12.787 -5.507
62 HD2 PHE 10 HD2 PHE 10 -2.478 -10.371 -8.042
63 HE1 PHE 10 HE1 PHE 10 -2.080 -13.703 -4.445
64 HE2 PHE 10 HE2 PHE 10 -4.503 -11.281 -6.984
65 HZ PHE 10 HZ PHE 10 -4.306 -12.950 -5.183
66 H PHE 11 HN PHE 11 2.602 -10.328 -9.052
67 HA PHE 11 HA PHE 11 1.775 -10.945 -11.732
68 HB2 PHE 11 HB2 PHE 11 3.904 -9.105 -10.633
69 HB3 PHE 11 HB1 PHE 11 3.585 -9.288 -12.353
70 HD1 PHE 11 HD2 PHE 11 0.839 -9.368 -9.904
71 HD2 PHE 11 HD1 PHE 11 3.061 -6.960 -12.631
72 HE1 PHE 11 HE2 PHE 11 -0.897 -7.634 -9.780
73 HE2 PHE 11 HE1 PHE 11 1.325 -5.222 -12.509
74 HZ PHE 11 HZ PHE 11 -0.656 -5.556 -11.083
75 HN1 NH2 12 H2 PHE 11 5.513 -12.479 -10.996
76 HN2 NH2 12 H1 PHE 11 4.862 -11.239 -9.985
Start of MODEL 6
1 H1 HIS 1 HT1 HIS 1 9.543 -8.713 3.045
2 H2 HIS 1 HT2 HIS 1 10.187 -7.168 3.275
3 H3 HIS 1 HT3 HIS 1 9.613 -7.626 1.752
4 HA HIS 1 HA HIS 1 8.135 -6.806 4.140
5 HB2 HIS 1 HB2 HIS 1 7.695 -6.482 1.160
6 HB3 HIS 1 HB1 HIS 1 6.725 -5.724 2.415
7 HD1 HIS 1 HD1 HIS 1 10.424 -5.797 1.466
8 HD2 HIS 1 HD2 HIS 1 7.510 -3.188 2.871
9 HE1 HIS 1 HE1 HIS 1 11.548 -3.556 1.619
10 HE2 HIS 1 HE2 HIS 1 9.772 -1.995 2.486
11 H ALA 2 HN ALA 2 6.451 -7.920 4.929
12 HA ALA 2 HA ALA 2 5.813 -10.496 4.046
13 HB1 ALA 2 HB1 ALA 2 5.377 -9.914 6.307
14 HB2 ALA 2 HB2 ALA 2 3.831 -10.299 5.550
15 HB3 ALA 2 HB3 ALA 2 4.282 -8.617 5.828
16 H GLU 3 HN GLU 3 4.016 -7.444 3.593
17 HA GLU 3 HA GLU 3 2.058 -8.718 1.886
18 HB2 GLU 3 HB2 GLU 3 1.436 -6.856 3.391
19 HB3 GLU 3 HB1 GLU 3 2.487 -5.785 2.476
20 HG2 GLU 3 HG2 GLU 3 0.839 -6.915 0.556
21 HG3 GLU 3 HG1 GLU 3 -0.225 -6.634 1.931
22 H GLY 4 HN GLY 4 4.868 -6.621 1.513
23 HA2 GLY 4 HA2 GLY 4 4.564 -5.886 -1.172
24 HA3 GLY 4 HA1 GLY 4 6.088 -5.983 -0.306
25 H THR 5 HN THR 5 6.007 -8.744 0.288
26 HA THR 5 HA THR 5 7.179 -9.789 -2.032
27 HB THR 5 HB THR 5 6.998 -12.004 -0.820
28 HG1 THR 5 HG1 THR 5 6.312 -10.626 1.510
29 HG21 THR 5 HG21 THR 5 8.473 -11.079 1.156
30 HG22 THR 5 HG22 THR 5 8.384 -9.588 0.220
31 HG23 THR 5 HG23 THR 5 9.060 -11.044 -0.508
32 H PHE 6 HN PHE 6 4.005 -10.398 -0.547
33 HA PHE 6 HA PHE 6 3.105 -12.230 -2.491
34 HB2 PHE 6 HB2 PHE 6 1.822 -10.584 -0.372
35 HB3 PHE 6 HB1 PHE 6 0.785 -11.230 -1.633
36 HD1 PHE 6 HD1 PHE 6 3.737 -12.675 0.141
37 HD2 PHE 6 HD2 PHE 6 -0.410 -12.985 -0.766
38 HE1 PHE 6 HE1 PHE 6 3.649 -14.843 1.303
39 HE2 PHE 6 HE2 PHE 6 -0.504 -15.151 0.395
40 HZ PHE 6 HZ PHE 6 1.525 -16.084 1.430
41 H THR 7 HN THR 7 3.039 -8.717 -2.317
42 HA THR 7 HA THR 7 1.263 -8.232 -4.449
43 HB THR 7 HB THR 7 3.552 -6.514 -3.461
44 HG1 THR 7 HG1 THR 7 0.782 -6.384 -2.793
45 HG21 THR 7 HG21 THR 7 1.142 -5.266 -4.624
46 HG22 THR 7 HG22 THR 7 2.176 -6.116 -5.770
47 HG23 THR 7 HG23 THR 7 2.843 -4.816 -4.785
48 H SER 8 HN SER 8 4.824 -8.285 -4.371
49 HA SER 8 HA SER 8 5.195 -7.869 -7.137
50 HB2 SER 8 HB2 SER 8 6.973 -7.446 -5.506
51 HB3 SER 8 HB1 SER 8 7.048 -9.168 -5.125
52 HG SER 8 HG SER 8 8.114 -7.787 -7.238
53 H ASP 9 HN ASP 9 5.085 -10.852 -5.202
54 HA ASP 9 HA ASP 9 5.748 -12.603 -7.314
55 HB2 ASP 9 HB2 ASP 9 5.905 -13.208 -4.922
56 HB3 ASP 9 HB1 ASP 9 4.149 -13.203 -4.818
57 H PHE 10 HN PHE 10 2.589 -11.580 -6.022
58 HA PHE 10 HA PHE 10 1.049 -13.250 -7.695
59 HB2 PHE 10 HB2 PHE 10 0.153 -12.205 -5.650
60 HB3 PHE 10 HB1 PHE 10 0.252 -10.625 -6.422
61 HD1 PHE 10 HD2 PHE 10 -0.957 -13.908 -7.704
62 HD2 PHE 10 HD1 PHE 10 -1.897 -9.877 -6.728
63 HE1 PHE 10 HE2 PHE 10 -3.216 -14.220 -8.619
64 HE2 PHE 10 HE1 PHE 10 -4.163 -10.181 -7.640
65 HZ PHE 10 HZ PHE 10 -4.825 -12.356 -8.588
66 H PHE 11 HN PHE 11 1.920 -9.806 -8.021
67 HA PHE 11 HA PHE 11 0.712 -9.706 -10.651
68 HB2 PHE 11 HB2 PHE 11 2.213 -7.620 -9.063
69 HB3 PHE 11 HB1 PHE 11 1.556 -7.339 -10.672
70 HD1 PHE 11 HD2 PHE 11 -0.925 -7.541 -11.021
71 HD2 PHE 11 HD1 PHE 11 0.851 -7.459 -7.156
72 HE1 PHE 11 HE2 PHE 11 -3.101 -6.951 -10.038
73 HE2 PHE 11 HE1 PHE 11 -1.320 -6.874 -6.165
74 HZ PHE 11 HZ PHE 11 -3.301 -6.616 -7.606
75 HN1 NH2 12 H2 PHE 11 4.790 -9.380 -10.960
76 HN2 NH2 12 H1 PHE 11 3.983 -8.807 -9.544
Start of MODEL 7
1 H1 HIS 1 HT1 HIS 1 7.522 -12.126 2.478
2 H2 HIS 1 HT2 HIS 1 8.171 -10.957 1.445
3 H3 HIS 1 HT3 HIS 1 6.497 -11.056 1.664
4 HA HIS 1 HA HIS 1 7.295 -10.734 4.188
5 HB2 HIS 1 HB2 HIS 1 9.154 -9.105 2.440
6 HB3 HIS 1 HB1 HIS 1 9.005 -8.955 4.187
7 HD1 HIS 1 HD1 HIS 1 9.385 -11.560 5.355
8 HD2 HIS 1 HD2 HIS 1 11.333 -10.555 1.824
9 HE1 HIS 1 HE1 HIS 1 11.339 -13.135 5.192
10 HE2 HIS 1 HE2 HIS 1 12.459 -12.557 3.011
11 H ALA 2 HN ALA 2 5.928 -9.340 5.043
12 HA ALA 2 HA ALA 2 4.236 -7.838 5.212
13 HB1 ALA 2 HB1 ALA 2 6.279 -6.381 4.966
14 HB2 ALA 2 HB2 ALA 2 4.746 -5.617 4.546
15 HB3 ALA 2 HB3 ALA 2 5.832 -6.174 3.272
16 H GLU 3 HN GLU 3 3.694 -5.908 2.866
17 HA GLU 3 HA GLU 3 2.140 -7.806 1.237
18 HB2 GLU 3 HB2 GLU 3 0.480 -6.009 0.936
19 HB3 GLU 3 HB1 GLU 3 0.684 -6.436 2.628
20 HG2 GLU 3 HG2 GLU 3 2.089 -4.475 2.966
21 HG3 GLU 3 HG1 GLU 3 1.917 -4.051 1.264
22 H GLY 4 HN GLY 4 4.839 -7.012 0.690
23 HA2 GLY 4 HA2 GLY 4 4.447 -5.452 -1.791
24 HA3 GLY 4 HA1 GLY 4 5.904 -5.348 -0.814
25 H THR 5 HN THR 5 6.457 -7.984 -0.273
26 HA THR 5 HA THR 5 7.691 -8.829 -2.670
27 HB THR 5 HB THR 5 7.198 -10.450 -0.163
28 HG1 THR 5 HG1 THR 5 8.467 -8.825 0.513
29 HG21 THR 5 HG21 THR 5 9.029 -10.847 -2.521
30 HG22 THR 5 HG22 THR 5 7.825 -11.961 -1.873
31 HG23 THR 5 HG23 THR 5 9.301 -11.632 -0.966
32 H PHE 6 HN PHE 6 4.845 -10.051 -0.915
33 HA PHE 6 HA PHE 6 4.266 -12.203 -2.621
34 HB2 PHE 6 HB2 PHE 6 3.260 -11.902 -0.376
35 HB3 PHE 6 HB1 PHE 6 2.324 -10.546 -0.992
36 HD1 PHE 6 HD1 PHE 6 2.995 -13.817 -2.627
37 HD2 PHE 6 HD2 PHE 6 0.125 -11.270 -0.783
38 HE1 PHE 6 HE1 PHE 6 1.201 -15.362 -3.293
39 HE2 PHE 6 HE2 PHE 6 -1.673 -12.812 -1.447
40 HZ PHE 6 HZ PHE 6 -1.136 -14.861 -2.703
41 H THR 7 HN THR 7 3.286 -8.801 -2.720
42 HA THR 7 HA THR 7 1.414 -8.913 -4.779
43 HB THR 7 HB THR 7 3.368 -6.688 -4.158
44 HG1 THR 7 HG1 THR 7 2.143 -6.730 -2.401
45 HG21 THR 7 HG21 THR 7 2.513 -6.201 -6.300
46 HG22 THR 7 HG22 THR 7 1.500 -5.278 -5.192
47 HG23 THR 7 HG23 THR 7 0.902 -6.786 -5.883
48 H SER 8 HN SER 8 4.919 -8.358 -4.966
49 HA SER 8 HA SER 8 5.043 -8.225 -7.791
50 HB2 SER 8 HB2 SER 8 6.806 -7.298 -6.348
51 HB3 SER 8 HB1 SER 8 7.222 -8.924 -5.806
52 HG SER 8 HG SER 8 8.318 -9.210 -7.576
53 H ASP 9 HN ASP 9 5.165 -10.879 -5.506
54 HA ASP 9 HA ASP 9 6.295 -12.876 -7.070
55 HB2 ASP 9 HB2 ASP 9 5.781 -13.042 -4.637
56 HB3 ASP 9 HB1 ASP 9 4.079 -13.214 -5.037
57 H PHE 10 HN PHE 10 2.786 -12.193 -6.669
58 HA PHE 10 HA PHE 10 2.187 -13.998 -8.843
59 HB2 PHE 10 HB2 PHE 10 -0.195 -13.404 -8.392
60 HB3 PHE 10 HB1 PHE 10 0.663 -14.073 -7.014
61 HD1 PHE 10 HD2 PHE 10 -0.346 -10.812 -8.504
62 HD2 PHE 10 HD1 PHE 10 0.550 -13.005 -4.974
63 HE1 PHE 10 HE2 PHE 10 -1.073 -8.900 -7.140
64 HE2 PHE 10 HE1 PHE 10 -0.185 -11.101 -3.601
65 HZ PHE 10 HZ PHE 10 -0.995 -9.044 -4.684
66 H PHE 11 HN PHE 11 2.043 -10.482 -8.347
67 HA PHE 11 HA PHE 11 1.060 -10.058 -11.037
68 HB2 PHE 11 HB2 PHE 11 1.465 -8.401 -8.645
69 HB3 PHE 11 HB1 PHE 11 1.823 -7.576 -10.155
70 HD1 PHE 11 HD2 PHE 11 -0.710 -10.204 -10.114
71 HD2 PHE 11 HD1 PHE 11 -0.007 -6.021 -9.763
72 HE1 PHE 11 HE2 PHE 11 -3.106 -9.776 -10.455
73 HE2 PHE 11 HE1 PHE 11 -2.403 -5.587 -10.107
74 HZ PHE 11 HZ PHE 11 -3.956 -7.466 -10.453
75 HN1 NH2 12 H2 PHE 11 5.011 -8.992 -10.708
76 HN2 NH2 12 H1 PHE 11 4.011 -9.060 -9.302
Start of MODEL 8
1 H1 HIS 1 HT1 HIS 1 10.038 -7.572 4.072
2 H2 HIS 1 HT2 HIS 1 10.137 -5.923 3.719
3 H3 HIS 1 HT3 HIS 1 9.855 -7.037 2.477
4 HA HIS 1 HA HIS 1 8.022 -6.514 4.746
5 HB2 HIS 1 HB2 HIS 1 6.638 -5.691 2.589
6 HB3 HIS 1 HB1 HIS 1 7.619 -4.624 3.577
7 HD1 HIS 1 HD1 HIS 1 10.106 -4.154 2.585
8 HD2 HIS 1 HD2 HIS 1 7.342 -5.800 -0.044
9 HE1 HIS 1 HE1 HIS 1 11.065 -3.795 0.290
10 HE2 HIS 1 HE2 HIS 1 9.337 -4.727 -1.289
11 H ALA 2 HN ALA 2 6.425 -7.890 5.000
12 HA ALA 2 HA ALA 2 6.384 -10.330 3.478
13 HB1 ALA 2 HB1 ALA 2 6.004 -10.521 5.818
14 HB2 ALA 2 HB2 ALA 2 4.489 -10.927 5.011
15 HB3 ALA 2 HB3 ALA 2 4.690 -9.346 5.765
16 H GLU 3 HN GLU 3 4.050 -7.685 4.007
17 HA GLU 3 HA GLU 3 2.071 -8.687 2.263
18 HB2 GLU 3 HB2 GLU 3 2.630 -5.947 3.374
19 HB3 GLU 3 HB1 GLU 3 1.323 -6.215 2.234
20 HG2 GLU 3 HG2 GLU 3 0.478 -6.217 4.489
21 HG3 GLU 3 HG1 GLU 3 0.304 -7.818 3.778
22 H GLY 4 HN GLY 4 4.681 -6.331 1.778
23 HA2 GLY 4 HA2 GLY 4 4.074 -5.606 -0.858
24 HA3 GLY 4 HA1 GLY 4 5.669 -5.526 -0.128
25 H THR 5 HN THR 5 6.137 -8.249 0.363
26 HA THR 5 HA THR 5 7.164 -9.123 -2.073
27 HB THR 5 HB THR 5 6.464 -10.747 0.383
28 HG1 THR 5 HG1 THR 5 8.918 -9.645 -0.574
29 HG21 THR 5 HG21 THR 5 7.940 -11.515 -2.127
30 HG22 THR 5 HG22 THR 5 6.597 -12.349 -1.344
31 HG23 THR 5 HG23 THR 5 8.193 -12.352 -0.595
32 H PHE 6 HN PHE 6 4.153 -10.131 -0.435
33 HA PHE 6 HA PHE 6 3.294 -12.044 -2.258
34 HB2 PHE 6 HB2 PHE 6 2.205 -11.667 -0.088
35 HB3 PHE 6 HB1 PHE 6 1.591 -10.119 -0.658
36 HD1 PHE 6 HD1 PHE 6 1.703 -13.412 -2.393
37 HD2 PHE 6 HD2 PHE 6 -0.712 -10.353 -0.680
38 HE1 PHE 6 HE1 PHE 6 -0.313 -14.529 -3.249
39 HE2 PHE 6 HE2 PHE 6 -2.733 -11.468 -1.533
40 HZ PHE 6 HZ PHE 6 -2.535 -13.558 -2.821
41 H THR 7 HN THR 7 2.850 -8.522 -2.330
42 HA THR 7 HA THR 7 1.114 -8.325 -4.494
43 HB THR 7 HB THR 7 3.357 -6.414 -3.811
44 HG1 THR 7 HG1 THR 7 2.158 -6.281 -2.044
45 HG21 THR 7 HG21 THR 7 2.530 -5.849 -5.965
46 HG22 THR 7 HG22 THR 7 1.758 -4.739 -4.834
47 HG23 THR 7 HG23 THR 7 0.859 -6.115 -5.471
48 H SER 8 HN SER 8 4.647 -8.507 -4.434
49 HA SER 8 HA SER 8 5.070 -8.246 -7.208
50 HB2 SER 8 HB2 SER 8 6.880 -7.948 -5.592
51 HB3 SER 8 HB1 SER 8 6.766 -9.643 -5.123
52 HG SER 8 HG SER 8 7.920 -8.492 -7.356
53 H ASP 9 HN ASP 9 4.351 -11.055 -5.183
54 HA ASP 9 HA ASP 9 4.996 -13.089 -6.978
55 HB2 ASP 9 HB2 ASP 9 2.965 -12.943 -4.762
56 HB3 ASP 9 HB1 ASP 9 3.163 -14.396 -5.732
57 H PHE 10 HN PHE 10 1.737 -11.634 -6.459
58 HA PHE 10 HA PHE 10 0.766 -12.987 -8.814
59 HB2 PHE 10 HB2 PHE 10 -1.379 -11.812 -8.363
60 HB3 PHE 10 HB1 PHE 10 -0.787 -12.758 -7.008
61 HD1 PHE 10 HD1 PHE 10 -0.875 -9.269 -8.317
62 HD2 PHE 10 HD2 PHE 10 -0.662 -11.808 -4.910
63 HE1 PHE 10 HE1 PHE 10 -1.129 -7.314 -6.850
64 HE2 PHE 10 HE2 PHE 10 -0.917 -9.856 -3.437
65 HZ PHE 10 HZ PHE 10 -1.154 -7.605 -4.407
66 H PHE 11 HN PHE 11 2.952 -11.186 -9.272
67 HA PHE 11 HA PHE 11 1.697 -9.471 -11.299
68 HB2 PHE 11 HB2 PHE 11 3.505 -8.634 -9.114
69 HB3 PHE 11 HB1 PHE 11 3.923 -8.018 -10.708
70 HD1 PHE 11 HD2 PHE 11 0.677 -8.563 -8.938
71 HD2 PHE 11 HD1 PHE 11 3.268 -5.842 -10.929
72 HE1 PHE 11 HE2 PHE 11 -1.015 -6.794 -8.709
73 HE2 PHE 11 HE1 PHE 11 1.584 -4.064 -10.701
74 HZ PHE 11 HZ PHE 11 -0.563 -4.540 -9.591
75 HN1 NH2 12 H2 PHE 11 5.483 -11.009 -11.762
76 HN2 NH2 12 H1 PHE 11 4.926 -10.528 -10.199
Start of MODEL 9
1 H1 HIS 1 HT1 HIS 1 6.301 -10.549 2.376
2 H2 HIS 1 HT2 HIS 1 7.383 -11.837 2.558
3 H3 HIS 1 HT3 HIS 1 7.545 -10.776 1.253
4 HA HIS 1 HA HIS 1 8.285 -10.412 4.058
5 HB2 HIS 1 HB2 HIS 1 9.518 -9.273 1.543
6 HB3 HIS 1 HB1 HIS 1 10.283 -9.513 3.108
7 HD1 HIS 1 HD1 HIS 1 10.051 -12.338 3.756
8 HD2 HIS 1 HD2 HIS 1 10.470 -11.100 -0.189
9 HE1 HIS 1 HE1 HIS 1 10.896 -14.350 2.506
10 HE2 HIS 1 HE2 HIS 1 11.043 -13.604 0.104
11 H ALA 2 HN ALA 2 7.794 -8.634 5.190
12 HA ALA 2 HA ALA 2 6.907 -6.626 5.778
13 HB1 ALA 2 HB1 ALA 2 7.781 -5.598 3.095
14 HB2 ALA 2 HB2 ALA 2 8.923 -5.948 4.392
15 HB3 ALA 2 HB3 ALA 2 7.672 -4.728 4.626
16 H GLU 3 HN GLU 3 5.203 -8.531 4.305
17 HA GLU 3 HA GLU 3 3.141 -8.699 3.359
18 HB2 GLU 3 HB2 GLU 3 2.807 -5.948 4.567
19 HB3 GLU 3 HB1 GLU 3 1.501 -7.006 4.055
20 HG2 GLU 3 HG2 GLU 3 2.211 -8.653 5.745
21 HG3 GLU 3 HG1 GLU 3 3.461 -7.530 6.280
22 H GLY 4 HN GLY 4 5.261 -7.519 1.675
23 HA2 GLY 4 HA2 GLY 4 3.527 -6.020 -0.190
24 HA3 GLY 4 HA1 GLY 4 5.212 -5.603 0.055
25 H THR 5 HN THR 5 6.327 -8.193 0.054
26 HA THR 5 HA THR 5 6.881 -8.585 -2.610
27 HB THR 5 HB THR 5 7.002 -10.712 -0.469
28 HG1 THR 5 HG1 THR 5 8.220 -8.929 0.159
29 HG21 THR 5 HG21 THR 5 7.236 -11.589 -2.764
30 HG22 THR 5 HG22 THR 5 8.735 -11.725 -1.845
31 HG23 THR 5 HG23 THR 5 8.550 -10.449 -3.050
32 H PHE 6 HN PHE 6 4.472 -10.402 -0.680
33 HA PHE 6 HA PHE 6 3.748 -12.260 -2.614
34 HB2 PHE 6 HB2 PHE 6 2.951 -12.361 -0.287
35 HB3 PHE 6 HB1 PHE 6 1.930 -10.956 -0.574
36 HD1 PHE 6 HD2 PHE 6 2.556 -14.181 -2.373
37 HD2 PHE 6 HD1 PHE 6 -0.289 -11.496 -0.693
38 HE1 PHE 6 HE2 PHE 6 0.732 -15.658 -3.107
39 HE2 PHE 6 HE1 PHE 6 -2.116 -12.971 -1.424
40 HZ PHE 6 HZ PHE 6 -1.608 -15.055 -2.633
41 H THR 7 HN THR 7 2.548 -8.960 -2.137
42 HA THR 7 HA THR 7 0.497 -8.965 -4.029
43 HB THR 7 HB THR 7 2.278 -6.636 -3.280
44 HG1 THR 7 HG1 THR 7 1.260 -6.713 -1.431
45 HG21 THR 7 HG21 THR 7 0.852 -6.324 -5.314
46 HG22 THR 7 HG22 THR 7 0.472 -5.220 -3.993
47 HG23 THR 7 HG23 THR 7 -0.563 -6.615 -4.302
48 H SER 8 HN SER 8 3.869 -7.873 -4.423
49 HA SER 8 HA SER 8 3.654 -7.384 -7.211
50 HB2 SER 8 HB2 SER 8 5.385 -6.323 -5.830
51 HB3 SER 8 HB1 SER 8 6.121 -7.896 -5.530
52 HG SER 8 HG SER 8 6.182 -6.303 -7.803
53 H ASP 9 HN ASP 9 4.802 -10.129 -5.318
54 HA ASP 9 HA ASP 9 5.977 -11.738 -7.185
55 HB2 ASP 9 HB2 ASP 9 5.770 -12.221 -4.756
56 HB3 ASP 9 HB1 ASP 9 4.088 -12.656 -5.006
57 H PHE 10 HN PHE 10 2.491 -11.418 -6.558
58 HA PHE 10 HA PHE 10 1.482 -13.443 -8.094
59 HB2 PHE 10 HB2 PHE 10 0.115 -11.924 -6.702
60 HB3 PHE 10 HB1 PHE 10 0.326 -10.655 -7.904
61 HD1 PHE 10 HD1 PHE 10 -0.466 -14.285 -8.213
62 HD2 PHE 10 HD2 PHE 10 -1.696 -10.277 -8.934
63 HE1 PHE 10 HE1 PHE 10 -2.435 -15.114 -9.429
64 HE2 PHE 10 HE2 PHE 10 -3.669 -11.097 -10.151
65 HZ PHE 10 HZ PHE 10 -4.040 -13.520 -10.400
66 H PHE 11 HN PHE 11 2.305 -10.173 -9.271
67 HA PHE 11 HA PHE 11 1.860 -11.029 -12.015
68 HB2 PHE 11 HB2 PHE 11 2.607 -8.364 -10.815
69 HB3 PHE 11 HB1 PHE 11 2.555 -8.643 -12.552
70 HD1 PHE 11 HD2 PHE 11 0.485 -8.694 -9.472
71 HD2 PHE 11 HD1 PHE 11 0.539 -8.561 -13.725
72 HE1 PHE 11 HE2 PHE 11 -1.928 -8.205 -9.486
73 HE2 PHE 11 HE1 PHE 11 -1.870 -8.071 -13.744
74 HZ PHE 11 HZ PHE 11 -3.107 -7.894 -11.623
75 HN1 NH2 12 H2 PHE 11 5.818 -10.167 -11.317
76 HN2 NH2 12 H1 PHE 11 4.585 -9.364 -10.412
Start of MODEL 10
1 H1 HIS 1 HT1 HIS 1 7.766 -11.223 2.551
2 H2 HIS 1 HT2 HIS 1 9.450 -11.353 2.583
3 H3 HIS 1 HT3 HIS 1 8.696 -10.465 1.360
4 HA HIS 1 HA HIS 1 9.045 -9.782 4.204
5 HB2 HIS 1 HB2 HIS 1 9.475 -8.261 1.622
6 HB3 HIS 1 HB1 HIS 1 9.838 -7.660 3.236
7 HD1 HIS 1 HD1 HIS 1 11.591 -9.483 4.559
8 HD2 HIS 1 HD2 HIS 1 11.692 -9.192 0.413
9 HE1 HIS 1 HE1 HIS 1 13.835 -10.392 3.874
10 HE2 HIS 1 HE2 HIS 1 13.885 -10.178 1.364
11 H ALA 2 HN ALA 2 7.341 -9.174 5.276
12 HA ALA 2 HA ALA 2 5.219 -8.480 5.767
13 HB1 ALA 2 HB1 ALA 2 6.693 -6.423 5.534
14 HB2 ALA 2 HB2 ALA 2 4.949 -6.164 5.484
15 HB3 ALA 2 HB3 ALA 2 5.887 -6.153 3.989
16 H GLU 3 HN GLU 3 3.775 -6.569 3.851
17 HA GLU 3 HA GLU 3 2.532 -8.670 2.222
18 HB2 GLU 3 HB2 GLU 3 1.463 -6.017 3.190
19 HB3 GLU 3 HB1 GLU 3 0.594 -7.086 2.099
20 HG2 GLU 3 HG2 GLU 3 1.500 -7.862 4.860
21 HG3 GLU 3 HG1 GLU 3 -0.105 -7.247 4.475
22 H GLY 4 HN GLY 4 4.924 -6.670 1.685
23 HA2 GLY 4 HA2 GLY 4 3.959 -5.291 -0.683
24 HA3 GLY 4 HA1 GLY 4 5.593 -5.246 -0.034
25 H THR 5 HN THR 5 6.377 -7.799 0.044
26 HA THR 5 HA THR 5 7.059 -8.362 -2.618
27 HB THR 5 HB THR 5 7.929 -10.524 -1.789
28 HG1 THR 5 HG1 THR 5 6.706 -9.694 0.653
29 HG21 THR 5 HG21 THR 5 8.594 -8.139 -0.062
30 HG22 THR 5 HG22 THR 5 9.309 -8.525 -1.626
31 HG23 THR 5 HG23 THR 5 9.595 -9.580 -0.242
32 H PHE 6 HN PHE 6 4.594 -9.803 -0.499
33 HA PHE 6 HA PHE 6 3.759 -11.941 -1.996
34 HB2 PHE 6 HB2 PHE 6 2.801 -11.400 0.195
35 HB3 PHE 6 HB1 PHE 6 1.980 -10.004 -0.497
36 HD1 PHE 6 HD2 PHE 6 2.319 -13.637 -1.332
37 HD2 PHE 6 HD1 PHE 6 -0.269 -10.297 -0.812
38 HE1 PHE 6 HE2 PHE 6 0.386 -15.052 -1.891
39 HE2 PHE 6 HE1 PHE 6 -2.206 -11.708 -1.371
40 HZ PHE 6 HZ PHE 6 -1.880 -14.090 -1.906
41 H THR 7 HN THR 7 2.884 -8.541 -2.452
42 HA THR 7 HA THR 7 1.063 -9.015 -4.585
43 HB THR 7 HB THR 7 2.532 -6.471 -3.864
44 HG1 THR 7 HG1 THR 7 -0.014 -7.497 -3.089
45 HG21 THR 7 HG21 THR 7 1.723 -6.040 -5.992
46 HG22 THR 7 HG22 THR 7 0.373 -5.519 -4.984
47 HG23 THR 7 HG23 THR 7 0.321 -7.090 -5.782
48 H SER 8 HN SER 8 4.490 -8.043 -4.467
49 HA SER 8 HA SER 8 4.857 -7.548 -7.186
50 HB2 SER 8 HB2 SER 8 7.247 -7.845 -6.794
51 HB3 SER 8 HB1 SER 8 6.514 -6.947 -5.468
52 HG SER 8 HG SER 8 7.783 -9.355 -5.444
53 H ASP 9 HN ASP 9 5.284 -10.647 -5.431
54 HA ASP 9 HA ASP 9 6.010 -12.036 -7.834
55 HB2 ASP 9 HB2 ASP 9 6.027 -14.056 -6.524
56 HB3 ASP 9 HB1 ASP 9 6.772 -12.775 -5.578
57 H PHE 10 HN PHE 10 3.014 -11.612 -6.004
58 HA PHE 10 HA PHE 10 1.441 -13.552 -7.227
59 HB2 PHE 10 HB2 PHE 10 0.720 -12.244 -5.266
60 HB3 PHE 10 HB1 PHE 10 0.570 -10.813 -6.276
61 HD1 PHE 10 HD2 PHE 10 -0.548 -14.358 -6.683
62 HD2 PHE 10 HD1 PHE 10 -1.642 -10.246 -6.519
63 HE1 PHE 10 HE2 PHE 10 -2.882 -14.962 -7.183
64 HE2 PHE 10 HE1 PHE 10 -3.977 -10.846 -7.016
65 HZ PHE 10 HZ PHE 10 -4.598 -13.205 -7.348
66 H PHE 11 HN PHE 11 1.963 -10.168 -8.222
67 HA PHE 11 HA PHE 11 0.478 -10.614 -10.678
68 HB2 PHE 11 HB2 PHE 11 1.802 -8.191 -9.483
69 HB3 PHE 11 HB1 PHE 11 1.214 -8.191 -11.143
70 HD1 PHE 11 HD1 PHE 11 -1.266 -9.064 -11.405
71 HD2 PHE 11 HD2 PHE 11 0.380 -7.437 -7.833
72 HE1 PHE 11 HE1 PHE 11 -3.529 -8.495 -10.629
73 HE2 PHE 11 HE2 PHE 11 -1.882 -6.868 -7.048
74 HZ PHE 11 HZ PHE 11 -3.839 -7.395 -8.447
75 HN1 NH2 12 H2 PHE 11 4.509 -10.185 -11.325
76 HN2 NH2 12 H1 PHE 11 3.789 -9.570 -9.880
Start of MODEL 11
1 H1 HIS 1 HT1 HIS 1 9.996 -6.535 3.605
2 H2 HIS 1 HT2 HIS 1 9.406 -6.925 2.068
3 H3 HIS 1 HT3 HIS 1 9.751 -8.153 3.178
4 HA HIS 1 HA HIS 1 8.014 -7.240 4.664
5 HB2 HIS 1 HB2 HIS 1 7.443 -5.581 2.195
6 HB3 HIS 1 HB1 HIS 1 6.380 -5.694 3.594
7 HD1 HIS 1 HD1 HIS 1 7.899 -5.077 5.950
8 HD2 HIS 1 HD2 HIS 1 8.908 -3.328 2.318
9 HE1 HIS 1 HE1 HIS 1 9.221 -3.021 6.538
10 HE2 HIS 1 HE2 HIS 1 9.893 -2.026 4.323
11 H ALA 2 HN ALA 2 6.334 -8.624 4.782
12 HA ALA 2 HA ALA 2 6.029 -10.689 2.901
13 HB1 ALA 2 HB1 ALA 2 4.066 -11.354 4.226
14 HB2 ALA 2 HB2 ALA 2 4.157 -9.827 5.103
15 HB3 ALA 2 HB3 ALA 2 5.467 -11.001 5.238
16 H GLU 3 HN GLU 3 4.107 -7.765 3.479
17 HA GLU 3 HA GLU 3 2.063 -8.357 1.616
18 HB2 GLU 3 HB2 GLU 3 3.004 -5.743 2.796
19 HB3 GLU 3 HB1 GLU 3 1.620 -5.864 1.720
20 HG2 GLU 3 HG2 GLU 3 0.875 -5.799 4.004
21 HG3 GLU 3 HG1 GLU 3 0.532 -7.383 3.314
22 H GLY 4 HN GLY 4 5.132 -6.622 1.323
23 HA2 GLY 4 HA2 GLY 4 4.692 -5.678 -1.327
24 HA3 GLY 4 HA1 GLY 4 6.240 -5.770 -0.500
25 H THR 5 HN THR 5 6.375 -8.496 -0.003
26 HA THR 5 HA THR 5 7.381 -9.457 -2.451
27 HB THR 5 HB THR 5 7.605 -11.636 -1.258
28 HG1 THR 5 HG1 THR 5 6.531 -11.964 0.530
29 HG21 THR 5 HG21 THR 5 9.502 -10.341 -1.011
30 HG22 THR 5 HG22 THR 5 9.038 -10.613 0.668
31 HG23 THR 5 HG23 THR 5 8.650 -9.082 -0.117
32 H PHE 6 HN PHE 6 4.442 -10.256 -0.629
33 HA PHE 6 HA PHE 6 3.453 -12.250 -2.314
34 HB2 PHE 6 HB2 PHE 6 2.187 -10.335 -0.390
35 HB3 PHE 6 HB1 PHE 6 1.168 -11.343 -1.406
36 HD1 PHE 6 HD2 PHE 6 4.416 -12.235 0.167
37 HD2 PHE 6 HD1 PHE 6 0.198 -12.807 0.122
38 HE1 PHE 6 HE2 PHE 6 4.654 -14.087 1.766
39 HE2 PHE 6 HE1 PHE 6 0.431 -14.660 1.722
40 HZ PHE 6 HZ PHE 6 2.660 -15.303 2.546
41 H THR 7 HN THR 7 3.066 -8.726 -2.449
42 HA THR 7 HA THR 7 1.202 -8.574 -4.525
43 HB THR 7 HB THR 7 3.451 -6.650 -3.888
44 HG1 THR 7 HG1 THR 7 2.216 -6.441 -2.162
45 HG21 THR 7 HG21 THR 7 1.923 -4.977 -4.985
46 HG22 THR 7 HG22 THR 7 0.977 -6.338 -5.587
47 HG23 THR 7 HG23 THR 7 2.658 -6.144 -6.085
48 H SER 8 HN SER 8 4.747 -8.717 -4.636
49 HA SER 8 HA SER 8 5.036 -8.440 -7.420
50 HB2 SER 8 HB2 SER 8 6.914 -8.170 -5.861
51 HB3 SER 8 HB1 SER 8 6.836 -9.885 -5.458
52 HG SER 8 HG SER 8 7.824 -10.357 -7.265
53 H ASP 9 HN ASP 9 4.672 -11.333 -5.387
54 HA ASP 9 HA ASP 9 5.011 -13.208 -7.488
55 HB2 ASP 9 HB2 ASP 9 3.610 -13.522 -4.824
56 HB3 ASP 9 HB1 ASP 9 4.044 -14.845 -5.902
57 H PHE 10 HN PHE 10 2.100 -11.847 -5.953
58 HA PHE 10 HA PHE 10 0.245 -13.333 -7.482
59 HB2 PHE 10 HB2 PHE 10 0.003 -10.795 -5.880
60 HB3 PHE 10 HB1 PHE 10 -1.365 -11.475 -6.752
61 HD1 PHE 10 HD1 PHE 10 1.301 -13.235 -4.820
62 HD2 PHE 10 HD2 PHE 10 -2.815 -12.186 -5.100
63 HE1 PHE 10 HE1 PHE 10 0.804 -14.694 -2.908
64 HE2 PHE 10 HE2 PHE 10 -3.318 -13.646 -3.186
65 HZ PHE 10 HZ PHE 10 -1.508 -14.902 -2.087
66 H PHE 11 HN PHE 11 1.423 -9.992 -7.843
67 HA PHE 11 HA PHE 11 -0.077 -9.488 -10.210
68 HB2 PHE 11 HB2 PHE 11 2.261 -8.067 -8.939
69 HB3 PHE 11 HB1 PHE 11 1.530 -7.517 -10.441
70 HD1 PHE 11 HD2 PHE 11 -0.009 -8.817 -7.288
71 HD2 PHE 11 HD1 PHE 11 0.419 -5.560 -9.995
72 HE1 PHE 11 HE2 PHE 11 -1.682 -7.545 -6.015
73 HE2 PHE 11 HE1 PHE 11 -1.254 -4.282 -8.723
74 HZ PHE 11 HZ PHE 11 -2.307 -5.274 -6.731
75 HN1 NH2 12 H2 PHE 11 3.731 -10.544 -11.339
76 HN2 NH2 12 H1 PHE 11 3.437 -9.912 -9.758
Start of MODEL 12
1 H1 HIS 1 HT1 HIS 1 9.301 -9.454 2.037
2 H2 HIS 1 HT2 HIS 1 10.109 -7.976 1.871
3 H3 HIS 1 HT3 HIS 1 8.796 -8.339 0.870
4 HA HIS 1 HA HIS 1 8.755 -7.762 3.773
5 HB2 HIS 1 HB2 HIS 1 7.289 -6.497 1.445
6 HB3 HIS 1 HB1 HIS 1 7.253 -5.960 3.117
7 HD1 HIS 1 HD1 HIS 1 9.842 -5.336 4.020
8 HD2 HIS 1 HD2 HIS 1 9.004 -5.032 -0.041
9 HE1 HIS 1 HE1 HIS 1 11.592 -3.792 3.085
10 HE2 HIS 1 HE2 HIS 1 11.026 -3.568 0.639
11 H ALA 2 HN ALA 2 6.761 -8.046 4.868
12 HA ALA 2 HA ALA 2 5.387 -10.414 4.312
13 HB1 ALA 2 HB1 ALA 2 3.933 -9.848 6.102
14 HB2 ALA 2 HB2 ALA 2 4.312 -8.132 5.948
15 HB3 ALA 2 HB3 ALA 2 5.540 -9.260 6.524
16 H GLU 3 HN GLU 3 4.300 -7.036 3.848
17 HA GLU 3 HA GLU 3 2.153 -8.023 2.104
18 HB2 GLU 3 HB2 GLU 3 1.196 -5.766 2.291
19 HB3 GLU 3 HB1 GLU 3 1.417 -6.513 3.865
20 HG2 GLU 3 HG2 GLU 3 3.404 -5.189 4.251
21 HG3 GLU 3 HG1 GLU 3 3.279 -4.487 2.641
22 H GLY 4 HN GLY 4 5.033 -7.874 1.383
23 HA2 GLY 4 HA2 GLY 4 4.805 -6.034 -0.914
24 HA3 GLY 4 HA1 GLY 4 6.321 -6.353 -0.086
25 H THR 5 HN THR 5 6.032 -9.172 0.209
26 HA THR 5 HA THR 5 7.133 -10.065 -2.189
27 HB THR 5 HB THR 5 5.763 -11.723 -0.059
28 HG1 THR 5 HG1 THR 5 7.479 -11.166 1.045
29 HG21 THR 5 HG21 THR 5 7.662 -12.507 -2.276
30 HG22 THR 5 HG22 THR 5 5.996 -13.046 -2.061
31 HG23 THR 5 HG23 THR 5 7.241 -13.548 -0.916
32 H PHE 6 HN PHE 6 3.796 -10.395 -0.993
33 HA PHE 6 HA PHE 6 2.807 -11.929 -3.130
34 HB2 PHE 6 HB2 PHE 6 1.592 -11.578 -0.996
35 HB3 PHE 6 HB1 PHE 6 1.318 -9.898 -1.443
36 HD1 PHE 6 HD1 PHE 6 0.555 -13.398 -2.382
37 HD2 PHE 6 HD2 PHE 6 -0.473 -9.292 -2.844
38 HE1 PHE 6 HE1 PHE 6 -1.506 -14.049 -3.559
39 HE2 PHE 6 HE2 PHE 6 -2.536 -9.936 -4.019
40 HZ PHE 6 HZ PHE 6 -3.054 -12.317 -4.378
41 H THR 7 HN THR 7 3.020 -8.433 -2.651
42 HA THR 7 HA THR 7 1.616 -7.573 -4.886
43 HB THR 7 HB THR 7 3.995 -6.259 -3.566
44 HG1 THR 7 HG1 THR 7 2.605 -6.036 -1.987
45 HG21 THR 7 HG21 THR 7 1.925 -4.551 -4.736
46 HG22 THR 7 HG22 THR 7 2.799 -5.513 -5.928
47 HG23 THR 7 HG23 THR 7 3.682 -4.437 -4.845
48 H SER 8 HN SER 8 5.079 -8.292 -4.572
49 HA SER 8 HA SER 8 5.570 -7.650 -7.330
50 HB2 SER 8 HB2 SER 8 7.883 -8.624 -6.750
51 HB3 SER 8 HB1 SER 8 7.375 -7.153 -5.923
52 HG SER 8 HG SER 8 7.869 -9.653 -4.911
53 H ASP 9 HN ASP 9 5.619 -10.680 -5.434
54 HA ASP 9 HA ASP 9 6.160 -12.283 -7.737
55 HB2 ASP 9 HB2 ASP 9 5.289 -13.061 -4.953
56 HB3 ASP 9 HB1 ASP 9 5.748 -14.209 -6.207
57 H PHE 10 HN PHE 10 3.238 -12.295 -5.621
58 HA PHE 10 HA PHE 10 1.779 -13.622 -7.754
59 HB2 PHE 10 HB2 PHE 10 0.798 -12.791 -5.017
60 HB3 PHE 10 HB1 PHE 10 -0.066 -13.811 -6.158
61 HD1 PHE 10 HD2 PHE 10 2.706 -13.632 -3.784
62 HD2 PHE 10 HD1 PHE 10 0.559 -16.114 -6.493
63 HE1 PHE 10 HE2 PHE 10 3.767 -15.617 -2.797
64 HE2 PHE 10 HE1 PHE 10 1.611 -18.108 -5.508
65 HZ PHE 10 HZ PHE 10 3.220 -17.860 -3.658
66 H PHE 11 HN PHE 11 2.437 -11.314 -8.801
67 HA PHE 11 HA PHE 11 0.009 -10.102 -9.515
68 HB2 PHE 11 HB2 PHE 11 0.941 -9.130 -7.072
69 HB3 PHE 11 HB1 PHE 11 1.467 -7.927 -8.238
70 HD1 PHE 11 HD2 PHE 11 -1.639 -9.978 -8.262
71 HD2 PHE 11 HD1 PHE 11 0.096 -6.114 -7.840
72 HE1 PHE 11 HE2 PHE 11 -3.884 -8.975 -8.250
73 HE2 PHE 11 HE1 PHE 11 -2.147 -5.105 -7.825
74 HZ PHE 11 HZ PHE 11 -4.141 -6.536 -8.032
75 HN1 NH2 12 H2 PHE 11 3.694 -8.619 -10.589
76 HN2 NH2 12 H1 PHE 11 3.366 -9.038 -8.943
Start of MODEL 13
1 H1 HIS 1 HT1 HIS 1 9.850 -7.187 1.352
2 H2 HIS 1 HT2 HIS 1 10.181 -8.133 2.713
3 H3 HIS 1 HT3 HIS 1 10.600 -6.496 2.703
4 HA HIS 1 HA HIS 1 8.693 -6.459 3.957
5 HB2 HIS 1 HB2 HIS 1 7.860 -6.113 1.064
6 HB3 HIS 1 HB1 HIS 1 6.906 -5.571 2.440
7 HD1 HIS 1 HD1 HIS 1 7.498 -3.349 0.707
8 HD2 HIS 1 HD2 HIS 1 10.328 -4.650 3.458
9 HE1 HIS 1 HE1 HIS 1 9.050 -1.401 1.048
10 HE2 HIS 1 HE2 HIS 1 10.817 -2.251 2.630
11 H ALA 2 HN ALA 2 7.101 -7.626 4.896
12 HA ALA 2 HA ALA 2 6.628 -10.303 4.079
13 HB1 ALA 2 HB1 ALA 2 5.047 -10.393 5.935
14 HB2 ALA 2 HB2 ALA 2 5.124 -8.638 6.097
15 HB3 ALA 2 HB3 ALA 2 6.553 -9.618 6.426
16 H GLU 3 HN GLU 3 4.572 -7.397 4.046
17 HA GLU 3 HA GLU 3 2.443 -8.760 2.651
18 HB2 GLU 3 HB2 GLU 3 1.944 -7.032 4.314
19 HB3 GLU 3 HB1 GLU 3 2.803 -5.841 3.348
20 HG2 GLU 3 HG2 GLU 3 1.161 -6.126 1.552
21 HG3 GLU 3 HG1 GLU 3 0.298 -7.301 2.543
22 H GLY 4 HN GLY 4 4.927 -6.356 1.881
23 HA2 GLY 4 HA2 GLY 4 4.095 -5.701 -0.707
24 HA3 GLY 4 HA1 GLY 4 5.742 -5.585 -0.114
25 H THR 5 HN THR 5 6.278 -8.313 0.362
26 HA THR 5 HA THR 5 7.058 -9.159 -2.195
27 HB THR 5 HB THR 5 8.166 -9.919 -0.104
28 HG1 THR 5 HG1 THR 5 7.222 -12.102 -1.679
29 HG21 THR 5 HG21 THR 5 5.878 -10.435 1.006
30 HG22 THR 5 HG22 THR 5 7.245 -11.495 1.348
31 HG23 THR 5 HG23 THR 5 6.014 -11.990 0.186
32 H PHE 6 HN PHE 6 4.204 -9.955 -0.270
33 HA PHE 6 HA PHE 6 3.231 -12.120 -1.728
34 HB2 PHE 6 HB2 PHE 6 2.300 -11.283 0.440
35 HB3 PHE 6 HB1 PHE 6 1.563 -9.949 -0.440
36 HD1 PHE 6 HD1 PHE 6 1.804 -13.637 -0.957
37 HD2 PHE 6 HD2 PHE 6 -0.702 -10.207 -0.687
38 HE1 PHE 6 HE1 PHE 6 -0.162 -15.042 -1.419
39 HE2 PHE 6 HE2 PHE 6 -2.673 -11.608 -1.148
40 HZ PHE 6 HZ PHE 6 -2.404 -14.029 -1.515
41 H THR 7 HN THR 7 2.875 -8.646 -2.278
42 HA THR 7 HA THR 7 1.106 -8.847 -4.489
43 HB THR 7 HB THR 7 3.019 -6.610 -3.791
44 HG1 THR 7 HG1 THR 7 1.662 -6.583 -2.124
45 HG21 THR 7 HG21 THR 7 1.179 -5.274 -5.022
46 HG22 THR 7 HG22 THR 7 0.729 -6.831 -5.720
47 HG23 THR 7 HG23 THR 7 2.347 -6.180 -5.988
48 H SER 8 HN SER 8 4.623 -8.710 -4.176
49 HA SER 8 HA SER 8 5.298 -8.347 -6.863
50 HB2 SER 8 HB2 SER 8 6.910 -8.132 -5.008
51 HB3 SER 8 HB1 SER 8 6.840 -9.875 -4.752
52 HG SER 8 HG SER 8 8.219 -8.436 -6.624
53 H ASP 9 HN ASP 9 5.022 -11.422 -5.039
54 HA ASP 9 HA ASP 9 5.549 -13.059 -7.279
55 HB2 ASP 9 HB2 ASP 9 4.675 -14.921 -5.922
56 HB3 ASP 9 HB1 ASP 9 5.820 -13.932 -5.028
57 H PHE 10 HN PHE 10 2.595 -11.631 -6.035
58 HA PHE 10 HA PHE 10 0.689 -13.141 -7.403
59 HB2 PHE 10 HB2 PHE 10 0.020 -11.561 -5.696
60 HB3 PHE 10 HB1 PHE 10 0.656 -10.214 -6.633
61 HD1 PHE 10 HD1 PHE 10 -1.503 -13.085 -7.649
62 HD2 PHE 10 HD2 PHE 10 -1.130 -8.869 -7.174
63 HE1 PHE 10 HE1 PHE 10 -3.699 -12.773 -8.716
64 HE2 PHE 10 HE2 PHE 10 -3.324 -8.552 -8.237
65 HZ PHE 10 HZ PHE 10 -4.611 -10.504 -9.009
66 H PHE 11 HN PHE 11 2.518 -10.292 -8.465
67 HA PHE 11 HA PHE 11 1.234 -10.122 -11.011
68 HB2 PHE 11 HB2 PHE 11 3.699 -8.859 -9.835
69 HB3 PHE 11 HB1 PHE 11 3.296 -8.649 -11.534
70 HD1 PHE 11 HD2 PHE 11 0.657 -8.891 -8.996
71 HD2 PHE 11 HD1 PHE 11 3.082 -6.256 -11.305
72 HE1 PHE 11 HE2 PHE 11 -0.828 -7.021 -8.416
73 HE2 PHE 11 HE1 PHE 11 1.595 -4.382 -10.727
74 HZ PHE 11 HZ PHE 11 -0.361 -4.764 -9.280
75 HN1 NH2 12 H2 PHE 11 4.714 -12.267 -11.385
76 HN2 NH2 12 H1 PHE 11 4.432 -11.299 -9.982
Start of MODEL 14
1 H1 HIS 1 HT1 HIS 1 9.584 -7.143 2.297
2 H2 HIS 1 HT2 HIS 1 9.823 -8.309 3.500
3 H3 HIS 1 HT3 HIS 1 10.086 -6.674 3.844
4 HA HIS 1 HA HIS 1 8.020 -7.257 4.811
5 HB2 HIS 1 HB2 HIS 1 7.641 -5.761 2.204
6 HB3 HIS 1 HB1 HIS 1 6.505 -5.744 3.548
7 HD1 HIS 1 HD1 HIS 1 7.912 -4.994 5.933
8 HD2 HIS 1 HD2 HIS 1 9.168 -3.546 2.246
9 HE1 HIS 1 HE1 HIS 1 9.265 -2.937 6.443
10 HE2 HIS 1 HE2 HIS 1 9.945 -2.032 4.193
11 H ALA 2 HN ALA 2 6.326 -8.619 4.917
12 HA ALA 2 HA ALA 2 6.077 -10.768 3.115
13 HB1 ALA 2 HB1 ALA 2 4.076 -11.375 4.395
14 HB2 ALA 2 HB2 ALA 2 4.115 -9.803 5.194
15 HB3 ALA 2 HB3 ALA 2 5.424 -10.955 5.452
16 H GLU 3 HN GLU 3 4.109 -7.839 3.553
17 HA GLU 3 HA GLU 3 2.197 -8.486 1.564
18 HB2 GLU 3 HB2 GLU 3 1.515 -6.128 1.723
19 HB3 GLU 3 HB1 GLU 3 1.693 -6.866 3.308
20 HG2 GLU 3 HG2 GLU 3 3.884 -5.796 3.552
21 HG3 GLU 3 HG1 GLU 3 3.683 -5.043 1.971
22 H GLY 4 HN GLY 4 5.195 -6.595 1.500
23 HA2 GLY 4 HA2 GLY 4 4.957 -5.565 -1.102
24 HA3 GLY 4 HA1 GLY 4 6.467 -5.808 -0.238
25 H THR 5 HN THR 5 6.681 -8.494 0.009
26 HA THR 5 HA THR 5 7.498 -9.292 -2.573
27 HB THR 5 HB THR 5 8.599 -10.165 -0.564
28 HG1 THR 5 HG1 THR 5 8.994 -11.553 -2.164
29 HG21 THR 5 HG21 THR 5 6.433 -10.409 0.747
30 HG22 THR 5 HG22 THR 5 7.606 -11.712 0.923
31 HG23 THR 5 HG23 THR 5 6.198 -11.927 -0.118
32 H PHE 6 HN PHE 6 4.636 -10.087 -0.638
33 HA PHE 6 HA PHE 6 3.587 -12.100 -2.284
34 HB2 PHE 6 HB2 PHE 6 2.718 -11.683 -0.038
35 HB3 PHE 6 HB1 PHE 6 2.126 -10.103 -0.538
36 HD1 PHE 6 HD1 PHE 6 1.890 -13.493 -2.089
37 HD2 PHE 6 HD2 PHE 6 -0.170 -10.114 -0.521
38 HE1 PHE 6 HE1 PHE 6 -0.256 -14.501 -2.744
39 HE2 PHE 6 HE2 PHE 6 -2.319 -11.119 -1.171
40 HZ PHE 6 HZ PHE 6 -2.364 -13.315 -2.284
41 H THR 7 HN THR 7 3.210 -8.578 -2.377
42 HA THR 7 HA THR 7 1.278 -8.427 -4.403
43 HB THR 7 HB THR 7 3.479 -6.455 -3.750
44 HG1 THR 7 HG1 THR 7 2.278 -6.352 -1.988
45 HG21 THR 7 HG21 THR 7 1.017 -6.247 -5.466
46 HG22 THR 7 HG22 THR 7 2.678 -5.805 -5.861
47 HG23 THR 7 HG23 THR 7 1.751 -4.825 -4.725
48 H SER 8 HN SER 8 4.826 -8.407 -4.583
49 HA SER 8 HA SER 8 5.045 -8.057 -7.364
50 HB2 SER 8 HB2 SER 8 6.952 -9.448 -5.466
51 HB3 SER 8 HB1 SER 8 7.348 -8.910 -7.098
52 HG SER 8 HG SER 8 7.028 -7.443 -4.768
53 H ASP 9 HN ASP 9 5.046 -11.033 -5.400
54 HA ASP 9 HA ASP 9 5.325 -12.814 -7.584
55 HB2 ASP 9 HB2 ASP 9 5.811 -13.393 -5.205
56 HB3 ASP 9 HB1 ASP 9 4.085 -13.360 -4.875
57 H PHE 10 HN PHE 10 2.458 -11.924 -5.647
58 HA PHE 10 HA PHE 10 0.630 -13.306 -7.343
59 HB2 PHE 10 HB2 PHE 10 0.209 -12.826 -4.932
60 HB3 PHE 10 HB1 PHE 10 0.060 -11.118 -5.326
61 HD1 PHE 10 HD1 PHE 10 -1.286 -14.171 -6.999
62 HD2 PHE 10 HD2 PHE 10 -2.133 -10.508 -5.002
63 HE1 PHE 10 HE1 PHE 10 -3.685 -14.487 -7.443
64 HE2 PHE 10 HE2 PHE 10 -4.533 -10.819 -5.442
65 HZ PHE 10 HZ PHE 10 -5.312 -12.810 -6.663
66 H PHE 11 HN PHE 11 2.105 -11.881 -9.070
67 HA PHE 11 HA PHE 11 0.175 -10.323 -10.465
68 HB2 PHE 11 HB2 PHE 11 1.039 -8.697 -8.715
69 HB3 PHE 11 HB1 PHE 11 2.595 -8.783 -9.508
70 HD1 PHE 11 HD2 PHE 11 -0.893 -8.508 -10.812
71 HD2 PHE 11 HD1 PHE 11 3.011 -6.824 -10.616
72 HE1 PHE 11 HE2 PHE 11 -1.583 -6.736 -12.372
73 HE2 PHE 11 HE1 PHE 11 2.327 -5.048 -12.175
74 HZ PHE 11 HZ PHE 11 0.028 -5.003 -13.056
75 HN1 NH2 12 H2 PHE 11 4.020 -10.602 -11.869
76 HN2 NH2 12 H1 PHE 11 3.683 -9.959 -10.298
Start of MODEL 15
1 H1 HIS 1 HT1 HIS 1 9.514 -8.383 3.685
2 H2 HIS 1 HT2 HIS 1 9.702 -6.982 4.613
3 H3 HIS 1 HT3 HIS 1 9.070 -6.880 3.047
4 HA HIS 1 HA HIS 1 7.798 -8.115 5.419
5 HB2 HIS 1 HB2 HIS 1 7.074 -5.741 3.684
6 HB3 HIS 1 HB1 HIS 1 6.061 -6.382 4.973
7 HD1 HIS 1 HD1 HIS 1 7.702 -6.586 7.353
8 HD2 HIS 1 HD2 HIS 1 8.376 -3.563 4.581
9 HE1 HIS 1 HE1 HIS 1 8.932 -4.786 8.606
10 HE2 HIS 1 HE2 HIS 1 9.325 -2.964 6.912
11 H ALA 2 HN ALA 2 6.050 -9.414 5.116
12 HA ALA 2 HA ALA 2 5.810 -10.891 2.754
13 HB1 ALA 2 HB1 ALA 2 3.835 -11.890 3.760
14 HB2 ALA 2 HB2 ALA 2 3.778 -10.601 4.962
15 HB3 ALA 2 HB3 ALA 2 5.130 -11.734 4.947
16 H GLU 3 HN GLU 3 3.915 -8.143 3.937
17 HA GLU 3 HA GLU 3 1.832 -8.192 2.100
18 HB2 GLU 3 HB2 GLU 3 3.159 -5.772 3.331
19 HB3 GLU 3 HB1 GLU 3 1.581 -5.780 2.557
20 HG2 GLU 3 HG2 GLU 3 2.298 -7.382 5.005
21 HG3 GLU 3 HG1 GLU 3 1.488 -5.821 5.027
22 H GLY 4 HN GLY 4 5.046 -6.716 1.773
23 HA2 GLY 4 HA2 GLY 4 4.471 -5.562 -0.793
24 HA3 GLY 4 HA1 GLY 4 6.044 -5.662 -0.020
25 H THR 5 HN THR 5 6.440 -8.323 0.276
26 HA THR 5 HA THR 5 7.278 -9.108 -2.287
27 HB THR 5 HB THR 5 7.824 -11.291 -1.244
28 HG1 THR 5 HG1 THR 5 6.825 -10.184 1.175
29 HG21 THR 5 HG21 THR 5 9.057 -8.913 -0.885
30 HG22 THR 5 HG22 THR 5 9.687 -10.447 -0.286
31 HG23 THR 5 HG23 THR 5 8.776 -9.388 0.791
32 H PHE 6 HN PHE 6 4.502 -10.157 -0.334
33 HA PHE 6 HA PHE 6 3.607 -12.260 -1.923
34 HB2 PHE 6 HB2 PHE 6 2.735 -11.558 0.354
35 HB3 PHE 6 HB1 PHE 6 1.803 -10.315 -0.470
36 HD1 PHE 6 HD1 PHE 6 2.445 -13.885 -1.337
37 HD2 PHE 6 HD2 PHE 6 -0.418 -10.909 -0.309
38 HE1 PHE 6 HE1 PHE 6 0.634 -15.514 -1.682
39 HE2 PHE 6 HE2 PHE 6 -2.234 -12.532 -0.653
40 HZ PHE 6 HZ PHE 6 -1.709 -14.838 -1.338
41 H THR 7 HN THR 7 2.988 -8.791 -2.175
42 HA THR 7 HA THR 7 1.153 -8.906 -4.328
43 HB THR 7 HB THR 7 2.994 -6.644 -3.517
44 HG1 THR 7 HG1 THR 7 1.709 -6.774 -1.809
45 HG21 THR 7 HG21 THR 7 2.198 -5.591 -5.321
46 HG22 THR 7 HG22 THR 7 0.601 -5.641 -4.574
47 HG23 THR 7 HG23 THR 7 1.097 -6.922 -5.680
48 H SER 8 HN SER 8 4.672 -8.606 -4.158
49 HA SER 8 HA SER 8 5.233 -7.963 -6.800
50 HB2 SER 8 HB2 SER 8 6.860 -9.680 -4.911
51 HB3 SER 8 HB1 SER 8 7.466 -8.942 -6.392
52 HG SER 8 HG SER 8 7.671 -7.833 -4.176
53 H ASP 9 HN ASP 9 5.046 -11.230 -5.344
54 HA ASP 9 HA ASP 9 5.504 -12.576 -7.789
55 HB2 ASP 9 HB2 ASP 9 4.755 -14.609 -6.613
56 HB3 ASP 9 HB1 ASP 9 5.939 -13.695 -5.692
57 H PHE 10 HN PHE 10 2.566 -11.420 -6.234
58 HA PHE 10 HA PHE 10 0.627 -12.827 -7.631
59 HB2 PHE 10 HB2 PHE 10 0.755 -10.230 -6.245
60 HB3 PHE 10 HB1 PHE 10 -0.501 -10.342 -7.468
61 HD1 PHE 10 HD2 PHE 10 0.707 -13.101 -5.311
62 HD2 PHE 10 HD1 PHE 10 -2.408 -10.322 -6.124
63 HE1 PHE 10 HE2 PHE 10 -0.747 -14.271 -3.712
64 HE2 PHE 10 HE1 PHE 10 -3.869 -11.485 -4.524
65 HZ PHE 10 HZ PHE 10 -3.039 -13.463 -3.315
66 H PHE 11 HN PHE 11 2.283 -9.834 -8.574
67 HA PHE 11 HA PHE 11 0.945 -9.766 -11.138
68 HB2 PHE 11 HB2 PHE 11 3.107 -8.026 -9.937
69 HB3 PHE 11 HB1 PHE 11 2.433 -7.774 -11.542
70 HD1 PHE 11 HD1 PHE 11 0.953 -8.491 -8.174
71 HD2 PHE 11 HD2 PHE 11 1.044 -5.964 -11.597
72 HE1 PHE 11 HE1 PHE 11 -0.852 -7.132 -7.211
73 HE2 PHE 11 HE2 PHE 11 -0.763 -4.597 -10.637
74 HZ PHE 11 HZ PHE 11 -1.714 -5.181 -8.441
75 HN1 NH2 12 H2 PHE 11 4.875 -10.914 -11.490
76 HN2 NH2 12 H1 PHE 11 4.338 -10.069 -10.082
Start of MODEL 16
1 H1 HIS 1 HT1 HIS 1 10.479 -9.271 2.454
2 H2 HIS 1 HT2 HIS 1 9.168 -9.547 1.419
3 H3 HIS 1 HT3 HIS 1 9.546 -10.672 2.624
4 HA HIS 1 HA HIS 1 8.879 -9.264 4.342
5 HB2 HIS 1 HB2 HIS 1 8.076 -6.932 3.824
6 HB3 HIS 1 HB1 HIS 1 9.801 -7.195 3.656
7 HD1 HIS 1 HD1 HIS 1 10.498 -7.733 0.984
8 HD2 HIS 1 HD2 HIS 1 7.003 -5.620 1.741
9 HE1 HIS 1 HE1 HIS 1 9.950 -6.551 -1.164
10 HE2 HIS 1 HE2 HIS 1 7.907 -5.175 -0.640
11 H ALA 2 HN ALA 2 6.778 -8.862 5.027
12 HA ALA 2 HA ALA 2 4.819 -10.429 3.691
13 HB1 ALA 2 HB1 ALA 2 3.357 -9.859 5.522
14 HB2 ALA 2 HB2 ALA 2 4.438 -8.558 6.019
15 HB3 ALA 2 HB3 ALA 2 4.965 -10.237 6.138
16 H GLU 3 HN GLU 3 3.084 -9.899 2.523
17 HA GLU 3 HA GLU 3 1.552 -8.731 1.331
18 HB2 GLU 3 HB2 GLU 3 1.188 -7.364 3.331
19 HB3 GLU 3 HB1 GLU 3 2.524 -6.321 2.871
20 HG2 GLU 3 HG2 GLU 3 0.364 -5.322 2.348
21 HG3 GLU 3 HG1 GLU 3 1.326 -5.597 0.897
22 H GLY 4 HN GLY 4 4.516 -6.756 1.633
23 HA2 GLY 4 HA2 GLY 4 4.376 -5.611 -0.924
24 HA3 GLY 4 HA1 GLY 4 5.837 -5.774 0.035
25 H THR 5 HN THR 5 6.132 -8.515 0.180
26 HA THR 5 HA THR 5 7.172 -9.088 -2.420
27 HB THR 5 HB THR 5 6.938 -10.904 -0.011
28 HG1 THR 5 HG1 THR 5 9.109 -9.330 -0.993
29 HG21 THR 5 HG21 THR 5 7.212 -12.264 -1.966
30 HG22 THR 5 HG22 THR 5 8.775 -12.173 -1.156
31 HG23 THR 5 HG23 THR 5 8.470 -11.200 -2.595
32 H PHE 6 HN PHE 6 4.420 -10.254 -0.536
33 HA PHE 6 HA PHE 6 3.571 -12.333 -2.174
34 HB2 PHE 6 HB2 PHE 6 2.029 -10.410 -0.435
35 HB3 PHE 6 HB1 PHE 6 1.242 -11.722 -1.300
36 HD1 PHE 6 HD1 PHE 6 4.229 -11.271 0.920
37 HD2 PHE 6 HD2 PHE 6 0.817 -13.609 -0.086
38 HE1 PHE 6 HE1 PHE 6 4.741 -12.805 2.769
39 HE2 PHE 6 HE2 PHE 6 1.324 -15.146 1.766
40 HZ PHE 6 HZ PHE 6 3.287 -14.745 3.196
41 H THR 7 HN THR 7 2.927 -8.861 -2.400
42 HA THR 7 HA THR 7 1.147 -9.001 -4.603
43 HB THR 7 HB THR 7 2.877 -6.696 -3.680
44 HG1 THR 7 HG1 THR 7 0.161 -7.365 -3.098
45 HG21 THR 7 HG21 THR 7 0.481 -6.768 -5.521
46 HG22 THR 7 HG22 THR 7 2.128 -6.298 -5.941
47 HG23 THR 7 HG23 THR 7 1.178 -5.295 -4.845
48 H SER 8 HN SER 8 4.641 -8.429 -4.348
49 HA SER 8 HA SER 8 5.169 -7.830 -7.018
50 HB2 SER 8 HB2 SER 8 6.946 -9.234 -5.010
51 HB3 SER 8 HB1 SER 8 7.496 -8.523 -6.527
52 HG SER 8 HG SER 8 7.226 -6.553 -5.726
53 H ASP 9 HN ASP 9 5.107 -11.002 -5.403
54 HA ASP 9 HA ASP 9 5.929 -12.472 -7.686
55 HB2 ASP 9 HB2 ASP 9 4.548 -13.303 -5.136
56 HB3 ASP 9 HB1 ASP 9 5.014 -14.451 -6.387
57 H PHE 10 HN PHE 10 2.697 -11.946 -6.253
58 HA PHE 10 HA PHE 10 1.360 -13.442 -8.282
59 HB2 PHE 10 HB2 PHE 10 0.399 -11.592 -6.114
60 HB3 PHE 10 HB1 PHE 10 -0.710 -12.285 -7.291
61 HD1 PHE 10 HD1 PHE 10 2.195 -13.724 -5.420
62 HD2 PHE 10 HD2 PHE 10 -1.973 -13.900 -6.269
63 HE1 PHE 10 HE1 PHE 10 2.007 -15.761 -4.058
64 HE2 PHE 10 HE2 PHE 10 -2.166 -15.938 -4.906
65 HZ PHE 10 HZ PHE 10 -0.175 -16.870 -3.798
66 H PHE 11 HN PHE 11 1.435 -9.940 -7.601
67 HA PHE 11 HA PHE 11 0.135 -9.314 -10.084
68 HB2 PHE 11 HB2 PHE 11 1.467 -7.534 -8.033
69 HB3 PHE 11 HB1 PHE 11 0.611 -6.938 -9.447
70 HD1 PHE 11 HD1 PHE 11 -0.018 -9.341 -6.640
71 HD2 PHE 11 HD2 PHE 11 -1.520 -6.201 -9.091
72 HE1 PHE 11 HE1 PHE 11 -2.129 -9.376 -5.383
73 HE2 PHE 11 HE2 PHE 11 -3.634 -6.230 -7.834
74 HZ PHE 11 HZ PHE 11 -3.941 -7.817 -5.977
75 HN1 NH2 12 H2 PHE 11 4.170 -8.604 -10.365
76 HN2 NH2 12 H1 PHE 11 3.422 -8.781 -8.818
Start of MODEL 17
1 H1 HIS 1 HT1 HIS 1 9.843 -7.526 0.477
2 H2 HIS 1 HT2 HIS 1 8.476 -6.536 0.590
3 H3 HIS 1 HT3 HIS 1 8.301 -8.185 0.258
4 HA HIS 1 HA HIS 1 9.210 -8.737 2.438
5 HB2 HIS 1 HB2 HIS 1 9.156 -5.727 2.774
6 HB3 HIS 1 HB1 HIS 1 9.452 -6.874 4.076
7 HD1 HIS 1 HD1 HIS 1 11.580 -8.631 3.282
8 HD2 HIS 1 HD2 HIS 1 11.483 -4.724 1.871
9 HE1 HIS 1 HE1 HIS 1 13.937 -8.112 2.577
10 HE2 HIS 1 HE2 HIS 1 13.835 -5.774 1.645
11 H ALA 2 HN ALA 2 7.695 -9.386 3.889
12 HA ALA 2 HA ALA 2 5.601 -9.853 4.652
13 HB1 ALA 2 HB1 ALA 2 5.379 -6.846 4.724
14 HB2 ALA 2 HB2 ALA 2 6.216 -7.827 5.926
15 HB3 ALA 2 HB3 ALA 2 4.475 -7.998 5.707
16 H GLU 3 HN GLU 3 3.540 -7.418 3.974
17 HA GLU 3 HA GLU 3 2.011 -8.834 2.121
18 HB2 GLU 3 HB2 GLU 3 1.258 -6.949 3.648
19 HB3 GLU 3 HB1 GLU 3 1.959 -5.834 2.486
20 HG2 GLU 3 HG2 GLU 3 -0.233 -7.806 1.872
21 HG3 GLU 3 HG1 GLU 3 -0.482 -6.105 2.256
22 H GLY 4 HN GLY 4 4.378 -6.237 1.657
23 HA2 GLY 4 HA2 GLY 4 4.056 -5.685 -1.031
24 HA3 GLY 4 HA1 GLY 4 5.596 -5.617 -0.188
25 H THR 5 HN THR 5 5.871 -8.360 0.449
26 HA THR 5 HA THR 5 7.106 -9.365 -1.843
27 HB THR 5 HB THR 5 6.032 -10.959 0.500
28 HG1 THR 5 HG1 THR 5 7.853 -10.426 1.509
29 HG21 THR 5 HG21 THR 5 7.964 -11.643 -1.706
30 HG22 THR 5 HG22 THR 5 6.515 -12.516 -1.208
31 HG23 THR 5 HG23 THR 5 7.941 -12.511 -0.171
32 H PHE 6 HN PHE 6 3.902 -10.129 -0.489
33 HA PHE 6 HA PHE 6 3.157 -12.034 -2.422
34 HB2 PHE 6 HB2 PHE 6 1.977 -11.798 -0.284
35 HB3 PHE 6 HB1 PHE 6 1.399 -10.207 -0.767
36 HD1 PHE 6 HD2 PHE 6 1.529 -13.486 -2.549
37 HD2 PHE 6 HD1 PHE 6 -0.874 -10.296 -1.075
38 HE1 PHE 6 HE2 PHE 6 -0.459 -14.519 -3.564
39 HE2 PHE 6 HE1 PHE 6 -2.867 -11.326 -2.087
40 HZ PHE 6 HZ PHE 6 -2.660 -13.439 -3.334
41 H THR 7 HN THR 7 2.796 -8.514 -2.309
42 HA THR 7 HA THR 7 1.082 -8.086 -4.431
43 HB THR 7 HB THR 7 3.498 -6.407 -3.726
44 HG1 THR 7 HG1 THR 7 0.808 -6.335 -2.772
45 HG21 THR 7 HG21 THR 7 2.723 -5.620 -5.803
46 HG22 THR 7 HG22 THR 7 1.959 -4.563 -4.616
47 HG23 THR 7 HG23 THR 7 1.032 -5.865 -5.362
48 H SER 8 HN SER 8 4.631 -8.302 -4.544
49 HA SER 8 HA SER 8 4.776 -8.174 -7.389
50 HB2 SER 8 HB2 SER 8 6.660 -7.488 -5.966
51 HB3 SER 8 HB1 SER 8 6.831 -9.144 -5.386
52 HG SER 8 HG SER 8 8.219 -9.155 -7.008
53 H ASP 9 HN ASP 9 4.549 -10.778 -5.045
54 HA ASP 9 HA ASP 9 5.370 -12.957 -6.520
55 HB2 ASP 9 HB2 ASP 9 4.805 -13.111 -4.157
56 HB3 ASP 9 HB1 ASP 9 3.110 -12.803 -4.515
57 H PHE 10 HN PHE 10 1.994 -11.733 -6.315
58 HA PHE 10 HA PHE 10 1.138 -13.539 -8.361
59 HB2 PHE 10 HB2 PHE 10 -1.034 -12.341 -8.245
60 HB3 PHE 10 HB1 PHE 10 -0.471 -12.946 -6.697
61 HD1 PHE 10 HD2 PHE 10 -0.357 -9.820 -8.745
62 HD2 PHE 10 HD1 PHE 10 -0.641 -11.576 -4.880
63 HE1 PHE 10 HE2 PHE 10 -0.699 -7.594 -7.759
64 HE2 PHE 10 HE1 PHE 10 -0.992 -9.353 -3.891
65 HZ PHE 10 HZ PHE 10 -1.018 -7.357 -5.331
66 H PHE 11 HN PHE 11 2.208 -10.193 -8.345
67 HA PHE 11 HA PHE 11 1.260 -9.464 -10.896
68 HB2 PHE 11 HB2 PHE 11 3.456 -8.459 -9.124
69 HB3 PHE 11 HB1 PHE 11 3.363 -7.883 -10.783
70 HD1 PHE 11 HD2 PHE 11 0.248 -7.989 -10.858
71 HD2 PHE 11 HD1 PHE 11 3.069 -6.314 -8.144
72 HE1 PHE 11 HE2 PHE 11 -1.405 -6.296 -10.189
73 HE2 PHE 11 HE1 PHE 11 1.420 -4.616 -7.476
74 HZ PHE 11 HZ PHE 11 -0.820 -4.606 -8.497
75 HN1 NH2 12 H2 PHE 11 4.926 -11.215 -11.501
76 HN2 NH2 12 H1 PHE 11 4.492 -10.622 -9.938
Start of MODEL 18
1 H1 HIS 1 HT1 HIS 1 7.959 -7.943 0.471
2 H2 HIS 1 HT2 HIS 1 9.507 -8.608 0.359
3 H3 HIS 1 HT3 HIS 1 9.318 -6.962 0.692
4 HA HIS 1 HA HIS 1 9.332 -9.188 2.474
5 HB2 HIS 1 HB2 HIS 1 9.362 -6.183 2.840
6 HB3 HIS 1 HB1 HIS 1 9.672 -7.345 4.124
7 HD1 HIS 1 HD1 HIS 1 11.926 -5.599 3.878
8 HD2 HIS 1 HD2 HIS 1 11.494 -8.784 1.243
9 HE1 HIS 1 HE1 HIS 1 14.225 -6.026 2.954
10 HE2 HIS 1 HE2 HIS 1 13.927 -7.913 1.312
11 H ALA 2 HN ALA 2 7.936 -9.746 4.088
12 HA ALA 2 HA ALA 2 5.921 -10.155 5.050
13 HB1 ALA 2 HB1 ALA 2 5.517 -7.181 4.779
14 HB2 ALA 2 HB2 ALA 2 6.534 -7.936 6.005
15 HB3 ALA 2 HB3 ALA 2 4.800 -8.257 5.979
16 H GLU 3 HN GLU 3 3.667 -8.000 4.291
17 HA GLU 3 HA GLU 3 2.301 -9.706 2.487
18 HB2 GLU 3 HB2 GLU 3 1.129 -8.276 4.108
19 HB3 GLU 3 HB1 GLU 3 1.702 -6.844 3.264
20 HG2 GLU 3 HG2 GLU 3 0.433 -7.490 1.286
21 HG3 GLU 3 HG1 GLU 3 -0.125 -8.943 2.112
22 H GLY 4 HN GLY 4 4.209 -6.777 2.085
23 HA2 GLY 4 HA2 GLY 4 3.511 -5.995 -0.471
24 HA3 GLY 4 HA1 GLY 4 5.108 -5.788 0.227
25 H THR 5 HN THR 5 5.916 -8.478 0.440
26 HA THR 5 HA THR 5 6.898 -8.940 -2.142
27 HB THR 5 HB THR 5 8.018 -9.834 -0.142
28 HG1 THR 5 HG1 THR 5 8.758 -10.932 -1.832
29 HG21 THR 5 HG21 THR 5 7.034 -11.172 1.349
30 HG22 THR 5 HG22 THR 5 6.498 -12.284 0.090
31 HG23 THR 5 HG23 THR 5 5.517 -10.880 0.502
32 H PHE 6 HN PHE 6 4.078 -10.326 -0.502
33 HA PHE 6 HA PHE 6 3.471 -12.335 -2.355
34 HB2 PHE 6 HB2 PHE 6 2.373 -12.218 -0.180
35 HB3 PHE 6 HB1 PHE 6 1.603 -10.699 -0.623
36 HD1 PHE 6 HD2 PHE 6 1.967 -13.950 -2.425
37 HD2 PHE 6 HD1 PHE 6 -0.663 -11.030 -0.788
38 HE1 PHE 6 HE2 PHE 6 0.040 -15.188 -3.322
39 HE2 PHE 6 HE1 PHE 6 -2.594 -12.265 -1.681
40 HZ PHE 6 HZ PHE 6 -2.244 -14.345 -2.951
41 H THR 7 HN THR 7 2.568 -8.909 -2.276
42 HA THR 7 HA THR 7 0.801 -8.903 -4.452
43 HB THR 7 HB THR 7 2.617 -6.664 -3.532
44 HG1 THR 7 HG1 THR 7 -0.040 -7.388 -2.776
45 HG21 THR 7 HG21 THR 7 0.733 -5.249 -4.495
46 HG22 THR 7 HG22 THR 7 0.184 -6.714 -5.308
47 HG23 THR 7 HG23 THR 7 1.782 -6.056 -5.661
48 H SER 8 HN SER 8 4.299 -8.257 -4.334
49 HA SER 8 HA SER 8 4.605 -7.780 -7.106
50 HB2 SER 8 HB2 SER 8 6.261 -7.024 -5.457
51 HB3 SER 8 HB1 SER 8 6.661 -8.700 -5.080
52 HG SER 8 HG SER 8 7.946 -8.695 -6.730
53 H ASP 9 HN ASP 9 5.045 -10.694 -5.122
54 HA ASP 9 HA ASP 9 6.017 -12.373 -7.161
55 HB2 ASP 9 HB2 ASP 9 4.477 -13.077 -4.651
56 HB3 ASP 9 HB1 ASP 9 5.318 -14.238 -5.669
57 H PHE 10 HN PHE 10 2.711 -11.871 -5.939
58 HA PHE 10 HA PHE 10 1.449 -13.726 -7.645
59 HB2 PHE 10 HB2 PHE 10 0.377 -12.847 -5.620
60 HB3 PHE 10 HB1 PHE 10 0.315 -11.242 -6.338
61 HD1 PHE 10 HD2 PHE 10 -0.580 -14.650 -7.587
62 HD2 PHE 10 HD1 PHE 10 -1.848 -10.661 -6.814
63 HE1 PHE 10 HE2 PHE 10 -2.785 -15.169 -8.545
64 HE2 PHE 10 HE1 PHE 10 -4.056 -11.175 -7.768
65 HZ PHE 10 HZ PHE 10 -4.527 -13.430 -8.636
66 H PHE 11 HN PHE 11 1.963 -10.225 -7.950
67 HA PHE 11 HA PHE 11 0.604 -9.909 -10.409
68 HB2 PHE 11 HB2 PHE 11 1.234 -8.063 -8.824
69 HB3 PHE 11 HB1 PHE 11 2.890 -8.227 -9.359
70 HD1 PHE 11 HD1 PHE 11 -0.345 -8.182 -11.221
71 HD2 PHE 11 HD2 PHE 11 3.463 -6.385 -10.596
72 HE1 PHE 11 HE1 PHE 11 -0.779 -6.625 -13.075
73 HE2 PHE 11 HE2 PHE 11 3.034 -4.825 -12.449
74 HZ PHE 11 HZ PHE 11 0.911 -4.944 -13.691
75 HN1 NH2 12 H2 PHE 11 4.553 -10.214 -11.462
76 HN2 NH2 12 H1 PHE 11 4.067 -9.378 -10.027
Start of MODEL 19
1 H1 HIS 1 HT1 HIS 1 8.518 -8.915 0.235
2 H2 HIS 1 HT2 HIS 1 10.011 -8.136 0.087
3 H3 HIS 1 HT3 HIS 1 8.582 -7.233 0.067
4 HA HIS 1 HA HIS 1 9.511 -8.832 2.382
5 HB2 HIS 1 HB2 HIS 1 10.959 -6.843 1.684
6 HB3 HIS 1 HB1 HIS 1 9.577 -5.839 2.098
7 HD1 HIS 1 HD1 HIS 1 8.768 -6.056 4.684
8 HD2 HIS 1 HD2 HIS 1 12.591 -7.404 3.783
9 HE1 HIS 1 HE1 HIS 1 9.966 -6.196 6.890
10 HE2 HIS 1 HE2 HIS 1 12.252 -7.093 6.329
11 H ALA 2 HN ALA 2 8.288 -8.633 4.217
12 HA ALA 2 HA ALA 2 6.341 -8.613 5.393
13 HB1 ALA 2 HB1 ALA 2 6.028 -5.911 4.088
14 HB2 ALA 2 HB2 ALA 2 7.011 -6.245 5.514
15 HB3 ALA 2 HB3 ALA 2 5.262 -6.453 5.582
16 H GLU 3 HN GLU 3 4.008 -6.863 4.189
17 HA GLU 3 HA GLU 3 2.541 -9.030 3.103
18 HB2 GLU 3 HB2 GLU 3 1.458 -7.186 4.304
19 HB3 GLU 3 HB1 GLU 3 1.952 -6.063 3.045
20 HG2 GLU 3 HG2 GLU 3 0.548 -7.204 1.435
21 HG3 GLU 3 HG1 GLU 3 0.094 -8.397 2.650
22 H GLY 4 HN GLY 4 4.283 -6.320 1.688
23 HA2 GLY 4 HA2 GLY 4 3.384 -6.455 -0.942
24 HA3 GLY 4 HA1 GLY 4 4.961 -5.868 -0.447
25 H THR 5 HN THR 5 5.563 -8.627 0.725
26 HA THR 5 HA THR 5 7.113 -9.644 -1.289
27 HB THR 5 HB THR 5 5.763 -11.293 0.863
28 HG1 THR 5 HG1 THR 5 7.143 -10.379 2.172
29 HG21 THR 5 HG21 THR 5 7.816 -12.726 0.601
30 HG22 THR 5 HG22 THR 5 8.177 -11.822 -0.869
31 HG23 THR 5 HG23 THR 5 6.698 -12.777 -0.763
32 H PHE 6 HN PHE 6 3.914 -11.010 -0.398
33 HA PHE 6 HA PHE 6 3.796 -12.724 -2.648
34 HB2 PHE 6 HB2 PHE 6 2.446 -13.098 -0.614
35 HB3 PHE 6 HB1 PHE 6 1.505 -11.656 -0.983
36 HD1 PHE 6 HD2 PHE 6 2.669 -14.575 -3.006
37 HD2 PHE 6 HD1 PHE 6 -0.612 -12.211 -1.675
38 HE1 PHE 6 HE2 PHE 6 1.142 -15.928 -4.379
39 HE2 PHE 6 HE1 PHE 6 -2.145 -13.563 -3.045
40 HZ PHE 6 HZ PHE 6 -1.267 -15.423 -4.400
41 H THR 7 HN THR 7 2.683 -9.437 -2.061
42 HA THR 7 HA THR 7 1.028 -9.018 -4.241
43 HB THR 7 HB THR 7 2.980 -7.067 -2.998
44 HG1 THR 7 HG1 THR 7 1.609 -7.483 -1.395
45 HG21 THR 7 HG21 THR 7 2.305 -6.094 -5.042
46 HG22 THR 7 HG22 THR 7 1.245 -5.384 -3.824
47 HG23 THR 7 HG23 THR 7 0.649 -6.675 -4.866
48 H SER 8 HN SER 8 4.553 -8.556 -4.046
49 HA SER 8 HA SER 8 4.915 -7.785 -6.741
50 HB2 SER 8 HB2 SER 8 6.592 -7.316 -5.016
51 HB3 SER 8 HB1 SER 8 6.877 -9.042 -4.804
52 HG SER 8 HG SER 8 8.235 -8.914 -6.384
53 H ASP 9 HN ASP 9 5.130 -10.916 -5.098
54 HA ASP 9 HA ASP 9 6.056 -12.443 -7.259
55 HB2 ASP 9 HB2 ASP 9 6.069 -13.248 -4.939
56 HB3 ASP 9 HB1 ASP 9 4.310 -13.295 -4.938
57 H PHE 10 HN PHE 10 2.742 -11.717 -6.195
58 HA PHE 10 HA PHE 10 1.427 -13.331 -8.096
59 HB2 PHE 10 HB2 PHE 10 0.381 -12.397 -6.022
60 HB3 PHE 10 HB1 PHE 10 0.362 -10.816 -6.793
61 HD1 PHE 10 HD1 PHE 10 -0.543 -14.261 -7.922
62 HD2 PHE 10 HD2 PHE 10 -1.774 -10.220 -7.389
63 HE1 PHE 10 HE1 PHE 10 -2.722 -14.796 -8.928
64 HE2 PHE 10 HE2 PHE 10 -3.957 -10.751 -8.393
65 HZ PHE 10 HZ PHE 10 -4.433 -13.041 -9.163
66 H PHE 11 HN PHE 11 2.405 -9.923 -8.162
67 HA PHE 11 HA PHE 11 1.167 -9.275 -10.616
68 HB2 PHE 11 HB2 PHE 11 3.439 -8.030 -9.080
69 HB3 PHE 11 HB1 PHE 11 2.927 -7.394 -10.639
70 HD1 PHE 11 HD2 PHE 11 0.632 -8.802 -8.104
71 HD2 PHE 11 HD1 PHE 11 2.195 -5.269 -9.893
72 HE1 PHE 11 HE2 PHE 11 -1.109 -7.475 -6.991
73 HE2 PHE 11 HE1 PHE 11 0.452 -3.936 -8.781
74 HZ PHE 11 HZ PHE 11 -1.202 -5.038 -7.328
75 HN1 NH2 12 H2 PHE 11 4.972 -10.531 -11.532
76 HN2 NH2 12 H1 PHE 11 4.591 -10.012 -9.928
Start of MODEL 20
1 H1 HIS 1 HT1 HIS 1 9.570 -8.897 1.539
2 H2 HIS 1 HT2 HIS 1 9.184 -10.190 2.558
3 H3 HIS 1 HT3 HIS 1 10.437 -9.134 2.972
4 HA HIS 1 HA HIS 1 8.766 -8.368 4.313
5 HB2 HIS 1 HB2 HIS 1 8.485 -6.869 1.698
6 HB3 HIS 1 HB1 HIS 1 7.948 -6.271 3.264
7 HD1 HIS 1 HD1 HIS 1 10.148 -6.407 5.101
8 HD2 HIS 1 HD2 HIS 1 10.865 -5.793 1.054
9 HE1 HIS 1 HE1 HIS 1 12.439 -5.379 4.972
10 HE2 HIS 1 HE2 HIS 1 12.886 -5.097 2.509
11 H ALA 2 HN ALA 2 6.757 -8.643 5.037
12 HA ALA 2 HA ALA 2 4.926 -10.271 3.615
13 HB1 ALA 2 HB1 ALA 2 3.436 -9.929 5.510
14 HB2 ALA 2 HB2 ALA 2 4.484 -8.642 6.108
15 HB3 ALA 2 HB3 ALA 2 5.074 -10.303 6.043
16 H GLU 3 HN GLU 3 3.098 -9.807 2.523
17 HA GLU 3 HA GLU 3 1.555 -8.652 1.322
18 HB2 GLU 3 HB2 GLU 3 0.995 -7.652 3.536
19 HB3 GLU 3 HB1 GLU 3 2.134 -6.356 3.208
20 HG2 GLU 3 HG2 GLU 3 -0.187 -5.699 2.794
21 HG3 GLU 3 HG1 GLU 3 0.806 -5.599 1.343
22 H GLY 4 HN GLY 4 4.670 -8.275 1.079
23 HA2 GLY 4 HA2 GLY 4 4.522 -6.110 -0.921
24 HA3 GLY 4 HA1 GLY 4 5.942 -6.391 0.079
25 H THR 5 HN THR 5 6.215 -9.104 0.003
26 HA THR 5 HA THR 5 7.332 -9.493 -2.603
27 HB THR 5 HB THR 5 7.921 -11.773 -1.777
28 HG1 THR 5 HG1 THR 5 6.786 -12.505 -0.156
29 HG21 THR 5 HG21 THR 5 9.290 -10.870 0.249
30 HG22 THR 5 HG22 THR 5 8.648 -9.305 -0.252
31 HG23 THR 5 HG23 THR 5 9.622 -10.259 -1.371
32 H PHE 6 HN PHE 6 4.558 -10.817 -0.859
33 HA PHE 6 HA PHE 6 3.765 -12.695 -2.800
34 HB2 PHE 6 HB2 PHE 6 2.254 -11.232 -0.641
35 HB3 PHE 6 HB1 PHE 6 1.466 -12.388 -1.707
36 HD1 PHE 6 HD1 PHE 6 4.614 -12.262 0.319
37 HD2 PHE 6 HD2 PHE 6 1.145 -14.458 -0.803
38 HE1 PHE 6 HE1 PHE 6 5.308 -14.102 1.793
39 HE2 PHE 6 HE2 PHE 6 1.832 -16.301 0.672
40 HZ PHE 6 HZ PHE 6 3.916 -16.125 1.973
41 H THR 7 HN THR 7 2.972 -9.281 -2.328
42 HA THR 7 HA THR 7 1.001 -9.017 -4.298
43 HB THR 7 HB THR 7 3.007 -6.951 -3.366
44 HG1 THR 7 HG1 THR 7 1.715 -6.691 -1.689
45 HG21 THR 7 HG21 THR 7 0.430 -6.706 -4.914
46 HG22 THR 7 HG22 THR 7 2.033 -6.134 -5.375
47 HG23 THR 7 HG23 THR 7 1.164 -5.352 -4.054
48 H SER 8 HN SER 8 4.517 -8.507 -4.498
49 HA SER 8 HA SER 8 4.586 -7.782 -7.220
50 HB2 SER 8 HB2 SER 8 6.448 -7.326 -5.684
51 HB3 SER 8 HB1 SER 8 6.755 -9.056 -5.532
52 HG SER 8 HG SER 8 8.086 -8.608 -7.126
53 H ASP 9 HN ASP 9 4.894 -10.923 -5.608
54 HA ASP 9 HA ASP 9 5.571 -12.420 -7.906
55 HB2 ASP 9 HB2 ASP 9 5.935 -13.215 -5.598
56 HB3 ASP 9 HB1 ASP 9 4.196 -13.337 -5.369
57 H PHE 10 HN PHE 10 2.434 -11.898 -6.289
58 HA PHE 10 HA PHE 10 0.940 -13.452 -8.128
59 HB2 PHE 10 HB2 PHE 10 0.155 -11.377 -6.092
60 HB3 PHE 10 HB1 PHE 10 -1.033 -12.165 -7.122
61 HD1 PHE 10 HD2 PHE 10 1.973 -13.622 -5.453
62 HD2 PHE 10 HD1 PHE 10 -2.276 -13.482 -5.688
63 HE1 PHE 10 HE2 PHE 10 1.827 -15.491 -3.865
64 HE2 PHE 10 HE1 PHE 10 -2.426 -15.352 -4.098
65 HZ PHE 10 HZ PHE 10 -0.373 -16.359 -3.185
66 H PHE 11 HN PHE 11 1.417 -9.937 -7.841
67 HA PHE 11 HA PHE 11 -0.206 -9.297 -10.087
68 HB2 PHE 11 HB2 PHE 11 1.875 -7.731 -8.567
69 HB3 PHE 11 HB1 PHE 11 1.028 -7.061 -9.954
70 HD1 PHE 11 HD2 PHE 11 -0.217 -9.162 -7.121
71 HD2 PHE 11 HD1 PHE 11 -0.378 -5.428 -9.159
72 HE1 PHE 11 HE2 PHE 11 -2.059 -8.449 -5.661
73 HE2 PHE 11 HE1 PHE 11 -2.221 -4.709 -7.699
74 HZ PHE 11 HZ PHE 11 -3.065 -6.220 -5.948
75 HN1 NH2 12 H2 PHE 11 3.690 -9.393 -11.391
76 HN2 NH2 12 H1 PHE 11 3.339 -9.095 -9.726