NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
11825 |
1s4j   |
6106 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLU 1 1HT GLU 1 -7.848 1.257 5.376
2 2H GLU 1 2HT GLU 1 -6.405 2.005 4.906
3 3H GLU 1 3HT GLU 1 -6.362 0.622 5.878
4 HA GLU 1 HA GLU 1 -5.959 -0.419 3.949
5 1HB GLU 1 2HB GLU 1 -8.243 -1.069 4.803
6 2HB GLU 1 1HB GLU 1 -8.939 0.051 3.644
7 1HG GLU 1 2HG GLU 1 -7.989 -1.259 1.807
8 2HG GLU 1 1HG GLU 1 -7.290 -2.382 2.971
9 H GLU 2 H GLU 2 -5.157 -0.031 1.985
10 HA GLU 2 HA GLU 2 -6.235 2.200 0.396
11 1HB GLU 2 2HB GLU 2 -3.323 1.485 0.795
12 2HB GLU 2 1HB GLU 2 -3.911 2.688 -0.344
13 1HG GLU 2 2HG GLU 2 -4.834 3.988 1.515
14 2HG GLU 2 1HG GLU 2 -4.221 2.788 2.649
15 H SER 3 H SER 3 -3.787 -0.382 -0.037
16 HA SER 3 HA SER 3 -3.377 -1.890 -1.666
17 1HB SER 3 2HB SER 3 -5.311 -3.185 -2.527
18 2HB SER 3 1HB SER 3 -5.327 -2.986 -0.779
19 HG SER 3 HG SER 3 -6.852 -1.535 -2.678
20 H ASP 4 H ASP 4 -4.117 1.055 -2.467
21 HA ASP 4 HA ASP 4 -4.841 0.811 -5.243
22 1HB ASP 4 2HB ASP 4 -4.355 3.251 -5.347
23 2HB ASP 4 1HB ASP 4 -5.472 2.838 -4.055
24 H ASP 5 H ASP 5 -2.206 -0.008 -3.577
25 HA ASP 5 HA ASP 5 -0.378 0.338 -5.861
26 1HB ASP 5 2HB ASP 5 0.299 0.566 -2.914
27 2HB ASP 5 1HB ASP 5 1.485 0.564 -4.220
28 H ASP 6 H ASP 6 -0.353 -1.332 -2.717
29 HA ASP 6 HA ASP 6 -0.352 -3.936 -3.971
30 1HB ASP 6 2HB ASP 6 1.637 -4.677 -2.632
31 2HB ASP 6 1HB ASP 6 2.019 -3.515 -3.894
32 H MET 7 H MET 7 -0.073 -2.134 -0.976
33 HA MET 7 HA MET 7 -2.132 -3.814 0.278
34 1HB MET 7 2HB MET 7 0.456 -2.936 1.604
35 2HB MET 7 1HB MET 7 -0.885 -3.734 2.416
36 1HG MET 7 2HG MET 7 0.755 -4.930 0.190
37 2HG MET 7 1HG MET 7 0.968 -5.264 1.904
38 1HE MET 7 1HE MET 7 -1.891 -5.551 3.078
39 2HE MET 7 2HE MET 7 -0.691 -6.815 3.347
40 3HE MET 7 3HE MET 7 -2.308 -7.240 2.786
41 H GLY 8 H GLY 8 -2.280 -2.531 2.727
42 1HA GLY 8 2HA GLY 8 -3.648 -0.099 2.055
43 2HA GLY 8 1HA GLY 8 -3.432 -0.760 3.669
44 H PHE 9 H PHE 9 -0.539 -0.528 1.990
45 HA PHE 9 HA PHE 9 0.431 1.651 3.622
46 1HB PHE 9 2HB PHE 9 1.808 -0.206 1.657
47 2HB PHE 9 1HB PHE 9 2.624 0.951 2.692
48 HD1 PHE 9 1HD PHE 9 -0.085 -1.530 3.427
49 HD2 PHE 9 2HD PHE 9 3.884 -0.226 4.196
50 HE1 PHE 9 1HE PHE 9 0.137 -3.253 5.176
51 HE2 PHE 9 2HE PHE 9 4.115 -1.934 5.950
52 HZ PHE 9 HZ PHE 9 2.240 -3.452 6.441
53 H GLY 10 H GLY 10 2.382 2.771 2.053
54 1HA GLY 10 2HA GLY 10 0.837 4.003 -0.142
55 2HA GLY 10 1HA GLY 10 1.919 4.917 0.897
56 H LEU 11 H LEU 11 1.676 2.678 -1.761
57 HA LEU 11 HA LEU 11 3.050 1.997 -3.410
58 1HB LEU 11 2HB LEU 11 4.454 4.554 -2.661
59 2HB LEU 11 1HB LEU 11 4.881 3.604 -4.070
60 1HD1 LEU 11 1HD1 LEU 11 2.024 4.925 -2.362
61 2HD1 LEU 11 2HD1 LEU 11 0.946 4.934 -3.757
62 3HD1 LEU 11 3HD1 LEU 11 1.965 6.334 -3.422
63 1HD2 LEU 11 1HD2 LEU 11 4.040 6.506 -4.344
64 2HD2 LEU 11 2HD2 LEU 11 3.003 6.183 -5.733
65 3HD2 LEU 11 3HD2 LEU 11 4.546 5.343 -5.567
66 H PHE 12 H PHE 12 3.564 0.961 -0.748
67 HA PHE 12 HA PHE 12 6.419 0.634 -0.456
68 1HB PHE 12 2HB PHE 12 4.043 -0.555 0.982
69 2HB PHE 12 1HB PHE 12 5.695 -1.045 1.332
70 HD1 PHE 12 1HD PHE 12 4.285 2.373 0.722
71 HD2 PHE 12 2HD PHE 12 6.129 -0.304 3.445
72 HE1 PHE 12 1HE PHE 12 4.484 4.196 2.358
73 HE2 PHE 12 2HE PHE 12 6.345 1.509 5.095
74 HZ PHE 12 HZ PHE 12 5.519 3.765 4.552
75 H ASP 13 H ASP 13 7.325 -1.587 -0.207
76 HA ASP 13 HA ASP 13 6.327 -3.387 -2.322
77 1HB ASP 13 2HB ASP 13 8.466 -2.205 -2.882
78 2HB ASP 13 1HB ASP 13 9.213 -2.974 -1.489
Start of MODEL 2
1 1H GLU 1 1HT GLU 1 -5.275 -0.120 4.364
2 2H GLU 1 2HT GLU 1 -5.574 -0.561 2.759
3 3H GLU 1 3HT GLU 1 -6.657 -1.016 3.977
4 HA GLU 1 HA GLU 1 -7.817 0.815 3.672
5 1HB GLU 1 2HB GLU 1 -6.169 1.620 5.407
6 2HB GLU 1 1HB GLU 1 -5.221 2.320 4.106
7 1HG GLU 1 2HG GLU 1 -7.093 3.791 3.534
8 2HG GLU 1 1HG GLU 1 -8.044 3.086 4.839
9 H GLU 2 H GLU 2 -4.703 0.998 1.995
10 HA GLU 2 HA GLU 2 -5.904 2.465 -0.227
11 1HB GLU 2 2HB GLU 2 -3.029 1.801 0.425
12 2HB GLU 2 1HB GLU 2 -3.524 2.604 -1.054
13 1HG GLU 2 2HG GLU 2 -2.770 4.293 0.404
14 2HG GLU 2 1HG GLU 2 -4.525 4.412 0.378
15 H SER 3 H SER 3 -3.519 -0.223 -0.098
16 HA SER 3 HA SER 3 -3.166 -2.036 -1.407
17 1HB SER 3 2HB SER 3 -5.141 -3.467 -1.879
18 2HB SER 3 1HB SER 3 -5.059 -2.904 -0.214
19 HG SER 3 HG SER 3 -6.818 -2.157 -2.264
20 H ASP 4 H ASP 4 -4.042 0.677 -2.799
21 HA ASP 4 HA ASP 4 -4.800 -0.250 -5.430
22 1HB ASP 4 2HB ASP 4 -4.567 2.147 -6.081
23 2HB ASP 4 1HB ASP 4 -5.649 1.910 -4.717
24 H ASP 5 H ASP 5 -2.116 -0.533 -3.736
25 HA ASP 5 HA ASP 5 -0.342 -0.428 -6.089
26 1HB ASP 5 2HB ASP 5 0.375 0.358 -3.251
27 2HB ASP 5 1HB ASP 5 1.522 0.231 -4.582
28 H ASP 6 H ASP 6 -0.297 -1.566 -2.711
29 HA ASP 6 HA ASP 6 0.072 -4.305 -3.569
30 1HB ASP 6 2HB ASP 6 1.983 -4.629 -1.979
31 2HB ASP 6 1HB ASP 6 2.368 -3.605 -3.354
32 H MET 7 H MET 7 0.076 -2.247 -0.703
33 HA MET 7 HA MET 7 -2.073 -3.854 0.486
34 1HB MET 7 2HB MET 7 0.447 -2.992 1.934
35 2HB MET 7 1HB MET 7 -0.967 -3.707 2.693
36 1HG MET 7 2HG MET 7 0.748 -5.059 0.619
37 2HG MET 7 1HG MET 7 0.865 -5.315 2.358
38 1HE MET 7 1HE MET 7 -0.665 -8.581 0.708
39 2HE MET 7 2HE MET 7 0.330 -8.158 2.102
40 3HE MET 7 3HE MET 7 0.755 -7.555 0.500
41 H GLY 8 H GLY 8 -2.513 -2.604 2.806
42 1HA GLY 8 2HA GLY 8 -3.576 -0.040 1.990
43 2HA GLY 8 1HA GLY 8 -3.836 -0.840 3.533
44 H PHE 9 H PHE 9 -0.634 -0.369 2.267
45 HA PHE 9 HA PHE 9 0.077 1.315 4.505
46 1HB PHE 9 2HB PHE 9 1.682 -0.134 2.398
47 2HB PHE 9 1HB PHE 9 2.404 0.886 3.629
48 HD1 PHE 9 1HD PHE 9 -0.324 -1.696 3.897
49 HD2 PHE 9 2HD PHE 9 3.595 -0.479 5.009
50 HE1 PHE 9 1HE PHE 9 -0.169 -3.612 5.430
51 HE2 PHE 9 2HE PHE 9 3.756 -2.389 6.548
52 HZ PHE 9 HZ PHE 9 1.873 -3.960 6.760
53 H GLY 10 H GLY 10 1.711 1.560 1.416
54 1HA GLY 10 2HA GLY 10 0.474 3.798 0.311
55 2HA GLY 10 1HA GLY 10 1.669 4.403 1.448
56 H LEU 11 H LEU 11 1.185 2.525 -1.486
57 HA LEU 11 HA LEU 11 2.472 1.975 -3.257
58 1HB LEU 11 2HB LEU 11 3.836 4.531 -2.429
59 2HB LEU 11 1HB LEU 11 4.173 3.705 -3.937
60 1HD1 LEU 11 1HD1 LEU 11 1.386 4.725 -1.919
61 2HD1 LEU 11 2HD1 LEU 11 0.233 4.936 -3.235
62 3HD1 LEU 11 3HD1 LEU 11 1.302 6.262 -2.780
63 1HD2 LEU 11 1HD2 LEU 11 3.173 6.603 -3.950
64 2HD2 LEU 11 2HD2 LEU 11 2.078 6.275 -5.292
65 3HD2 LEU 11 3HD2 LEU 11 3.675 5.523 -5.248
66 H PHE 12 H PHE 12 3.129 0.465 -1.102
67 HA PHE 12 HA PHE 12 6.020 0.358 -0.801
68 1HB PHE 12 2HB PHE 12 3.752 -1.229 0.414
69 2HB PHE 12 1HB PHE 12 5.443 -1.620 0.698
70 HD1 PHE 12 1HD PHE 12 3.878 1.774 0.571
71 HD2 PHE 12 2HD PHE 12 5.672 -1.239 2.951
72 HE1 PHE 12 1HE PHE 12 3.930 3.327 2.472
73 HE2 PHE 12 2HE PHE 12 5.742 0.302 4.868
74 HZ PHE 12 HZ PHE 12 4.867 2.593 4.631
75 H ASP 13 H ASP 13 6.996 -1.913 -0.874
76 HA ASP 13 HA ASP 13 6.097 -3.326 -3.303
77 1HB ASP 13 2HB ASP 13 8.179 -1.966 -3.634
78 2HB ASP 13 1HB ASP 13 8.966 -2.935 -2.397
Start of MODEL 3
1 1H GLU 1 1HT GLU 1 -5.316 -0.417 2.798
2 2H GLU 1 2HT GLU 1 -6.563 -0.998 3.781
3 3H GLU 1 3HT GLU 1 -5.315 -0.079 4.457
4 HA GLU 1 HA GLU 1 -7.735 0.849 3.587
5 1HB GLU 1 2HB GLU 1 -6.120 1.737 5.311
6 2HB GLU 1 1HB GLU 1 -5.167 2.406 3.998
7 1HG GLU 1 2HG GLU 1 -7.052 3.832 3.356
8 2HG GLU 1 1HG GLU 1 -8.009 3.156 4.672
9 H GLU 2 H GLU 2 -4.603 1.054 1.944
10 HA GLU 2 HA GLU 2 -5.794 2.433 -0.334
11 1HB GLU 2 2HB GLU 2 -2.923 1.793 0.356
12 2HB GLU 2 1HB GLU 2 -3.410 2.562 -1.145
13 1HG GLU 2 2HG GLU 2 -2.668 4.283 0.287
14 2HG GLU 2 1HG GLU 2 -4.422 4.401 0.233
15 H SER 3 H SER 3 -3.380 -0.228 -0.143
16 HA SER 3 HA SER 3 -3.010 -2.064 -1.416
17 1HB SER 3 2HB SER 3 -4.965 -3.538 -1.829
18 2HB SER 3 1HB SER 3 -4.870 -2.935 -0.179
19 HG SER 3 HG SER 3 -6.980 -2.843 -1.435
20 H ASP 4 H ASP 4 -3.958 0.599 -2.860
21 HA ASP 4 HA ASP 4 -4.714 -0.416 -5.460
22 1HB ASP 4 2HB ASP 4 -4.572 1.976 -6.165
23 2HB ASP 4 1HB ASP 4 -5.644 1.720 -4.798
24 H ASP 5 H ASP 5 -2.011 -0.583 -3.792
25 HA ASP 5 HA ASP 5 -0.264 -0.431 -6.163
26 1HB ASP 5 2HB ASP 5 0.459 0.389 -3.338
27 2HB ASP 5 1HB ASP 5 1.592 0.300 -4.684
28 H ASP 6 H ASP 6 -0.130 -1.562 -2.781
29 HA ASP 6 HA ASP 6 0.299 -4.297 -3.629
30 1HB ASP 6 2HB ASP 6 2.583 -3.263 -3.459
31 2HB ASP 6 1HB ASP 6 2.255 -2.925 -1.765
32 H MET 7 H MET 7 0.313 -2.135 -0.837
33 HA MET 7 HA MET 7 -1.667 -3.843 0.507
34 1HB MET 7 2HB MET 7 0.796 -2.661 1.817
35 2HB MET 7 1HB MET 7 -0.520 -3.465 2.659
36 1HG MET 7 2HG MET 7 1.262 -4.761 0.605
37 2HG MET 7 1HG MET 7 1.452 -4.905 2.350
38 1HE MET 7 1HE MET 7 0.363 -8.191 0.547
39 2HE MET 7 2HE MET 7 0.835 -8.091 2.243
40 3HE MET 7 3HE MET 7 1.705 -7.153 1.029
41 H GLY 8 H GLY 8 -2.333 -2.592 2.667
42 1HA GLY 8 2HA GLY 8 -3.485 -0.087 1.765
43 2HA GLY 8 1HA GLY 8 -3.843 -0.923 3.269
44 H PHE 9 H PHE 9 -0.567 -0.298 2.329
45 HA PHE 9 HA PHE 9 -0.149 1.398 4.629
46 1HB PHE 9 2HB PHE 9 1.711 0.039 2.682
47 2HB PHE 9 1HB PHE 9 2.267 1.079 3.982
48 HD1 PHE 9 1HD PHE 9 -0.366 -1.615 3.981
49 HD2 PHE 9 2HD PHE 9 3.383 -0.253 5.455
50 HE1 PHE 9 1HE PHE 9 -0.275 -3.536 5.513
51 HE2 PHE 9 2HE PHE 9 3.478 -2.167 6.996
52 HZ PHE 9 HZ PHE 9 1.647 -3.813 7.025
53 H GLY 10 H GLY 10 1.483 1.617 1.502
54 1HA GLY 10 2HA GLY 10 0.336 3.914 0.463
55 2HA GLY 10 1HA GLY 10 1.564 4.473 1.586
56 H LEU 11 H LEU 11 0.975 2.670 -1.374
57 HA LEU 11 HA LEU 11 2.209 2.103 -3.166
58 1HB LEU 11 2HB LEU 11 3.774 4.544 -2.348
59 2HB LEU 11 1HB LEU 11 3.887 3.767 -3.917
60 1HD1 LEU 11 1HD1 LEU 11 1.549 5.222 -1.556
61 2HD1 LEU 11 2HD1 LEU 11 0.413 5.898 -2.724
62 3HD1 LEU 11 3HD1 LEU 11 1.970 6.682 -2.454
63 1HD2 LEU 11 1HD2 LEU 11 2.361 5.153 -5.689
64 2HD2 LEU 11 2HD2 LEU 11 3.576 5.946 -4.687
65 3HD2 LEU 11 3HD2 LEU 11 1.954 6.628 -4.817
66 H PHE 12 H PHE 12 2.833 0.525 -1.062
67 HA PHE 12 HA PHE 12 5.721 0.289 -0.813
68 1HB PHE 12 2HB PHE 12 3.402 -1.204 0.425
69 2HB PHE 12 1HB PHE 12 5.078 -1.690 0.665
70 HD1 PHE 12 1HD PHE 12 3.708 1.791 0.623
71 HD2 PHE 12 2HD PHE 12 5.358 -1.364 2.922
72 HE1 PHE 12 1HE PHE 12 3.887 3.305 2.547
73 HE2 PHE 12 2HE PHE 12 5.553 0.137 4.862
74 HZ PHE 12 HZ PHE 12 4.815 2.480 4.677
75 H ASP 13 H ASP 13 6.580 -2.037 -0.932
76 HA ASP 13 HA ASP 13 5.680 -3.254 -3.462
77 1HB ASP 13 2HB ASP 13 7.963 -2.217 -3.476
78 2HB ASP 13 1HB ASP 13 8.449 -3.356 -2.229
Start of MODEL 4
1 1H GLU 1 1HT GLU 1 -4.885 -0.238 3.301
2 2H GLU 1 2HT GLU 1 -4.701 -1.883 2.957
3 3H GLU 1 3HT GLU 1 -4.920 -1.373 4.555
4 HA GLU 1 HA GLU 1 -6.913 -2.377 3.378
5 1HB GLU 1 2HB GLU 1 -6.864 -1.047 5.523
6 2HB GLU 1 1HB GLU 1 -7.176 0.397 4.574
7 1HG GLU 1 2HG GLU 1 -9.323 -0.539 3.857
8 2HG GLU 1 1HG GLU 1 -9.007 -1.988 4.808
9 H GLU 2 H GLU 2 -5.290 0.127 1.854
10 HA GLU 2 HA GLU 2 -7.524 0.865 0.108
11 1HB GLU 2 2HB GLU 2 -4.747 2.036 0.369
12 2HB GLU 2 1HB GLU 2 -5.970 2.611 -0.752
13 1HG GLU 2 2HG GLU 2 -5.976 4.095 1.083
14 2HG GLU 2 1HG GLU 2 -7.423 3.107 1.236
15 H SER 3 H SER 3 -4.198 -0.390 -0.040
16 HA SER 3 HA SER 3 -3.018 -1.566 -1.554
17 1HB SER 3 2HB SER 3 -4.205 -3.318 -2.846
18 2HB SER 3 1HB SER 3 -4.659 -3.290 -1.146
19 HG SER 3 HG SER 3 -6.126 -2.238 -3.332
20 H ASP 4 H ASP 4 -4.266 1.105 -2.371
21 HA ASP 4 HA ASP 4 -4.477 0.988 -5.239
22 1HB ASP 4 2HB ASP 4 -4.523 3.458 -5.124
23 2HB ASP 4 1HB ASP 4 -5.665 2.741 -3.999
24 H ASP 5 H ASP 5 -2.034 0.617 -3.141
25 HA ASP 5 HA ASP 5 0.046 1.486 -5.038
26 1HB ASP 5 2HB ASP 5 0.112 1.544 -2.009
27 2HB ASP 5 1HB ASP 5 1.502 1.877 -3.044
28 H ASP 6 H ASP 6 -0.362 -0.519 -2.123
29 HA ASP 6 HA ASP 6 0.437 -2.933 -3.472
30 1HB ASP 6 2HB ASP 6 2.617 -1.880 -2.779
31 2HB ASP 6 1HB ASP 6 2.068 -1.952 -1.111
32 H MET 7 H MET 7 -0.086 -1.394 -0.353
33 HA MET 7 HA MET 7 -2.054 -3.452 0.379
34 1HB MET 7 2HB MET 7 0.080 -2.342 2.232
35 2HB MET 7 1HB MET 7 -1.224 -3.430 2.697
36 1HG MET 7 2HG MET 7 0.964 -4.099 0.740
37 2HG MET 7 1HG MET 7 0.934 -4.576 2.435
38 1HE MET 7 1HE MET 7 0.307 -8.004 0.831
39 2HE MET 7 2HE MET 7 1.452 -6.909 1.605
40 3HE MET 7 3HE MET 7 1.155 -6.793 -0.129
41 H GLY 8 H GLY 8 -1.111 -0.226 0.135
42 1HA GLY 8 2HA GLY 8 -2.863 1.472 0.209
43 2HA GLY 8 1HA GLY 8 -3.487 0.667 1.646
44 H PHE 9 H PHE 9 -0.155 0.634 1.578
45 HA PHE 9 HA PHE 9 0.070 2.507 3.740
46 1HB PHE 9 2HB PHE 9 2.023 0.649 2.390
47 2HB PHE 9 1HB PHE 9 2.460 1.700 3.724
48 HD1 PHE 9 1HD PHE 9 -0.600 -0.435 3.249
49 HD2 PHE 9 2HD PHE 9 2.941 0.317 5.485
50 HE1 PHE 9 1HE PHE 9 -1.249 -2.177 4.859
51 HE2 PHE 9 2HE PHE 9 2.294 -1.418 7.100
52 HZ PHE 9 HZ PHE 9 0.198 -2.669 6.789
53 H GLY 10 H GLY 10 2.327 2.101 1.047
54 1HA GLY 10 2HA GLY 10 1.926 4.586 -0.205
55 2HA GLY 10 1HA GLY 10 3.162 4.796 1.024
56 H LEU 11 H LEU 11 2.295 2.892 -1.836
57 HA LEU 11 HA LEU 11 3.476 1.808 -3.433
58 1HB LEU 11 2HB LEU 11 5.369 4.079 -2.851
59 2HB LEU 11 1HB LEU 11 5.531 3.015 -4.233
60 1HD1 LEU 11 1HD1 LEU 11 2.924 4.826 -2.515
61 2HD1 LEU 11 2HD1 LEU 11 2.022 5.342 -3.940
62 3HD1 LEU 11 3HD1 LEU 11 3.430 6.261 -3.407
63 1HD2 LEU 11 1HD2 LEU 11 5.220 6.041 -4.681
64 2HD2 LEU 11 2HD2 LEU 11 4.107 5.756 -6.018
65 3HD2 LEU 11 3HD2 LEU 11 5.492 4.689 -5.777
66 H PHE 12 H PHE 12 3.654 0.247 -1.427
67 HA PHE 12 HA PHE 12 6.428 -0.352 -0.734
68 1HB PHE 12 2HB PHE 12 3.778 -1.407 0.270
69 2HB PHE 12 1HB PHE 12 5.327 -2.070 0.778
70 HD1 PHE 12 1HD PHE 12 4.587 1.553 0.272
71 HD2 PHE 12 2HD PHE 12 5.213 -1.591 3.047
72 HE1 PHE 12 1HE PHE 12 4.714 3.198 2.088
73 HE2 PHE 12 2HE PHE 12 5.350 0.041 4.882
74 HZ PHE 12 HZ PHE 12 5.099 2.445 4.404
75 H ASP 13 H ASP 13 6.914 -2.790 -0.616
76 HA ASP 13 HA ASP 13 6.087 -4.060 -3.148
77 1HB ASP 13 2HB ASP 13 8.479 -3.314 -3.044
78 2HB ASP 13 1HB ASP 13 8.723 -4.402 -1.685
Start of MODEL 5
1 1H GLU 1 1HT GLU 1 -8.217 1.430 4.738
2 2H GLU 1 2HT GLU 1 -7.635 2.696 3.779
3 3H GLU 1 3HT GLU 1 -6.755 2.185 5.130
4 HA GLU 1 HA GLU 1 -5.626 0.782 3.886
5 1HB GLU 1 2HB GLU 1 -7.536 -0.690 4.630
6 2HB GLU 1 1HB GLU 1 -8.315 -0.369 3.090
7 1HG GLU 1 2HG GLU 1 -6.443 -1.430 1.922
8 2HG GLU 1 1HG GLU 1 -5.661 -1.749 3.468
9 H GLU 2 H GLU 2 -4.586 1.034 2.013
10 HA GLU 2 HA GLU 2 -5.896 2.485 -0.154
11 1HB GLU 2 2HB GLU 2 -2.981 1.924 0.416
12 2HB GLU 2 1HB GLU 2 -3.547 2.756 -1.023
13 1HG GLU 2 2HG GLU 2 -2.827 4.425 0.475
14 2HG GLU 2 1HG GLU 2 -4.584 4.471 0.494
15 H SER 3 H SER 3 -3.420 -0.123 -0.101
16 HA SER 3 HA SER 3 -3.016 -1.897 -1.447
17 1HB SER 3 2HB SER 3 -4.947 -3.376 -1.943
18 2HB SER 3 1HB SER 3 -4.878 -2.844 -0.267
19 HG SER 3 HG SER 3 -6.633 -1.649 -0.549
20 H ASP 4 H ASP 4 -3.973 0.817 -2.786
21 HA ASP 4 HA ASP 4 -4.715 -0.081 -5.430
22 1HB ASP 4 2HB ASP 4 -4.548 2.329 -6.041
23 2HB ASP 4 1HB ASP 4 -5.611 2.045 -4.671
24 H ASP 5 H ASP 5 -2.018 -0.321 -3.747
25 HA ASP 5 HA ASP 5 -0.255 -0.136 -6.105
26 1HB ASP 5 2HB ASP 5 0.447 0.623 -3.255
27 2HB ASP 5 1HB ASP 5 1.596 0.543 -4.589
28 H ASP 6 H ASP 6 -0.179 -1.330 -2.745
29 HA ASP 6 HA ASP 6 0.263 -4.042 -3.651
30 1HB ASP 6 2HB ASP 6 2.180 -4.344 -2.062
31 2HB ASP 6 1HB ASP 6 2.540 -3.287 -3.420
32 H MET 7 H MET 7 0.220 -2.046 -0.741
33 HA MET 7 HA MET 7 -1.895 -3.724 0.410
34 1HB MET 7 2HB MET 7 0.610 -2.847 1.875
35 2HB MET 7 1HB MET 7 -0.790 -3.606 2.620
36 1HG MET 7 2HG MET 7 0.959 -4.874 0.519
37 2HG MET 7 1HG MET 7 1.068 -5.174 2.249
38 1HE MET 7 1HE MET 7 -0.677 -6.233 3.662
39 2HE MET 7 2HE MET 7 -1.938 -7.330 3.097
40 3HE MET 7 3HE MET 7 -2.223 -5.589 3.106
41 H GLY 8 H GLY 8 -2.350 -2.538 2.764
42 1HA GLY 8 2HA GLY 8 -3.477 0.018 2.012
43 2HA GLY 8 1HA GLY 8 -3.705 -0.820 3.539
44 H PHE 9 H PHE 9 -0.519 -0.270 2.279
45 HA PHE 9 HA PHE 9 0.166 1.395 4.539
46 1HB PHE 9 2HB PHE 9 1.792 0.018 2.399
47 2HB PHE 9 1HB PHE 9 2.498 1.027 3.648
48 HD1 PHE 9 1HD PHE 9 -0.178 -1.615 3.869
49 HD2 PHE 9 2HD PHE 9 3.717 -0.340 5.000
50 HE1 PHE 9 1HE PHE 9 0.019 -3.557 5.363
51 HE2 PHE 9 2HE PHE 9 3.920 -2.277 6.501
52 HZ PHE 9 HZ PHE 9 2.070 -3.890 6.682
53 H GLY 10 H GLY 10 1.787 1.727 1.450
54 1HA GLY 10 2HA GLY 10 0.502 3.955 0.382
55 2HA GLY 10 1HA GLY 10 1.678 4.570 1.532
56 H LEU 11 H LEU 11 1.248 2.729 -1.435
57 HA LEU 11 HA LEU 11 2.554 2.240 -3.210
58 1HB LEU 11 2HB LEU 11 3.852 4.814 -2.336
59 2HB LEU 11 1HB LEU 11 4.212 4.022 -3.858
60 1HD1 LEU 11 1HD1 LEU 11 1.025 4.623 -2.076
61 2HD1 LEU 11 2HD1 LEU 11 0.313 5.667 -3.306
62 3HD1 LEU 11 3HD1 LEU 11 1.582 6.288 -2.251
63 1HD2 LEU 11 1HD2 LEU 11 3.136 6.899 -3.824
64 2HD2 LEU 11 2HD2 LEU 11 2.059 6.559 -5.178
65 3HD2 LEU 11 3HD2 LEU 11 3.676 5.850 -5.134
66 H PHE 12 H PHE 12 3.241 0.713 -1.076
67 HA PHE 12 HA PHE 12 6.132 0.672 -0.768
68 1HB PHE 12 2HB PHE 12 3.901 -0.990 0.413
69 2HB PHE 12 1HB PHE 12 5.602 -1.345 0.696
70 HD1 PHE 12 1HD PHE 12 3.954 2.012 0.619
71 HD2 PHE 12 2HD PHE 12 5.811 -0.995 2.957
72 HE1 PHE 12 1HE PHE 12 3.962 3.534 2.545
73 HE2 PHE 12 2HE PHE 12 5.837 0.515 4.899
74 HZ PHE 12 HZ PHE 12 4.908 2.788 4.696
75 H ASP 13 H ASP 13 7.173 -1.563 -0.881
76 HA ASP 13 HA ASP 13 6.339 -2.933 -3.359
77 1HB ASP 13 2HB ASP 13 8.430 -1.566 -3.577
78 2HB ASP 13 1HB ASP 13 9.172 -2.569 -2.339
Start of MODEL 6
1 1H GLU 1 1HT GLU 1 -7.551 2.016 4.876
2 2H GLU 1 2HT GLU 1 -7.781 2.990 3.512
3 3H GLU 1 3HT GLU 1 -6.275 2.954 4.280
4 HA GLU 1 HA GLU 1 -5.756 0.851 3.517
5 1HB GLU 1 2HB GLU 1 -8.017 -0.020 4.229
6 2HB GLU 1 1HB GLU 1 -8.661 0.554 2.701
7 1HG GLU 1 2HG GLU 1 -7.174 -0.975 1.499
8 2HG GLU 1 1HG GLU 1 -6.526 -1.548 3.034
9 H GLU 2 H GLU 2 -4.720 0.767 1.618
10 HA GLU 2 HA GLU 2 -5.751 2.369 -0.625
11 1HB GLU 2 2HB GLU 2 -2.892 1.922 0.245
12 2HB GLU 2 1HB GLU 2 -3.338 2.665 -1.280
13 1HG GLU 2 2HG GLU 2 -2.802 4.425 0.192
14 2HG GLU 2 1HG GLU 2 -4.554 4.423 0.041
15 H SER 3 H SER 3 -3.244 -0.169 -0.181
16 HA SER 3 HA SER 3 -2.675 -2.007 -1.368
17 1HB SER 3 2HB SER 3 -4.520 -3.545 -1.998
18 2HB SER 3 1HB SER 3 -4.653 -2.924 -0.357
19 HG SER 3 HG SER 3 -6.657 -2.755 -1.307
20 H ASP 4 H ASP 4 -3.467 0.618 -2.941
21 HA ASP 4 HA ASP 4 -3.943 -0.389 -5.603
22 1HB ASP 4 2HB ASP 4 -3.634 1.978 -6.308
23 2HB ASP 4 1HB ASP 4 -4.829 1.803 -5.031
24 H ASP 5 H ASP 5 -1.434 -0.582 -3.625
25 HA ASP 5 HA ASP 5 0.568 -0.600 -5.789
26 1HB ASP 5 2HB ASP 5 0.977 0.321 -2.929
27 2HB ASP 5 1HB ASP 5 2.267 0.120 -4.114
28 H ASP 6 H ASP 6 0.223 -1.583 -2.379
29 HA ASP 6 HA ASP 6 0.668 -4.359 -3.059
30 1HB ASP 6 2HB ASP 6 2.381 -4.610 -1.242
31 2HB ASP 6 1HB ASP 6 2.929 -3.668 -2.621
32 H MET 7 H MET 7 0.400 -2.188 -0.289
33 HA MET 7 HA MET 7 -1.923 -3.682 0.702
34 1HB MET 7 2HB MET 7 0.465 -2.891 2.395
35 2HB MET 7 1HB MET 7 -1.053 -3.525 3.014
36 1HG MET 7 2HG MET 7 0.823 -5.000 1.174
37 2HG MET 7 1HG MET 7 0.724 -5.221 2.917
38 1HE MET 7 1HE MET 7 -2.999 -5.946 3.248
39 2HE MET 7 2HE MET 7 -1.488 -5.490 4.033
40 3HE MET 7 3HE MET 7 -1.895 -7.194 3.829
41 H GLY 8 H GLY 8 -2.432 -2.305 3.004
42 1HA GLY 8 2HA GLY 8 -3.386 0.234 1.999
43 2HA GLY 8 1HA GLY 8 -3.731 -0.466 3.573
44 H PHE 9 H PHE 9 -0.469 -0.160 2.417
45 HA PHE 9 HA PHE 9 0.206 1.627 4.585
46 1HB PHE 9 2HB PHE 9 1.845 0.028 2.616
47 2HB PHE 9 1HB PHE 9 2.551 1.090 3.820
48 HD1 PHE 9 1HD PHE 9 -0.259 -1.400 4.110
49 HD2 PHE 9 2HD PHE 9 3.650 -0.235 5.313
50 HE1 PHE 9 1HE PHE 9 -0.217 -3.239 5.743
51 HE2 PHE 9 2HE PHE 9 3.698 -2.068 6.950
52 HZ PHE 9 HZ PHE 9 1.763 -3.574 7.167
53 H GLY 10 H GLY 10 2.092 1.738 1.657
54 1HA GLY 10 2HA GLY 10 0.915 3.898 0.325
55 2HA GLY 10 1HA GLY 10 2.014 4.568 1.520
56 H LEU 11 H LEU 11 1.758 2.585 -1.366
57 HA LEU 11 HA LEU 11 3.176 1.964 -3.007
58 1HB LEU 11 2HB LEU 11 4.489 4.541 -2.163
59 2HB LEU 11 1HB LEU 11 4.942 3.660 -3.609
60 1HD1 LEU 11 1HD1 LEU 11 1.619 4.430 -2.145
61 2HD1 LEU 11 2HD1 LEU 11 1.080 5.477 -3.458
62 3HD1 LEU 11 3HD1 LEU 11 2.281 6.057 -2.304
63 1HD2 LEU 11 1HD2 LEU 11 3.962 6.559 -3.809
64 2HD2 LEU 11 2HD2 LEU 11 2.978 6.182 -5.222
65 3HD2 LEU 11 3HD2 LEU 11 4.561 5.428 -5.021
66 H PHE 12 H PHE 12 3.649 0.468 -0.840
67 HA PHE 12 HA PHE 12 6.506 0.368 -0.283
68 1HB PHE 12 2HB PHE 12 4.133 -1.181 0.779
69 2HB PHE 12 1HB PHE 12 5.794 -1.563 1.218
70 HD1 PHE 12 1HD PHE 12 4.140 1.790 0.890
71 HD2 PHE 12 2HD PHE 12 5.942 -1.077 3.439
72 HE1 PHE 12 1HE PHE 12 4.049 3.399 2.740
73 HE2 PHE 12 2HE PHE 12 5.863 0.520 5.309
74 HZ PHE 12 HZ PHE 12 4.912 2.766 4.961
75 H ASP 13 H ASP 13 4.780 -0.508 -2.814
76 HA ASP 13 HA ASP 13 5.845 -3.207 -3.191
77 1HB ASP 13 2HB ASP 13 3.462 -2.680 -3.770
78 2HB ASP 13 1HB ASP 13 4.044 -1.583 -5.013
Start of MODEL 7
1 1H GLU 1 1HT GLU 1 -7.576 2.578 4.222
2 2H GLU 1 2HT GLU 1 -6.081 2.306 4.963
3 3H GLU 1 3HT GLU 1 -7.440 1.427 5.455
4 HA GLU 1 HA GLU 1 -5.684 0.380 3.857
5 1HB GLU 1 2HB GLU 1 -7.842 -0.569 4.759
6 2HB GLU 1 1HB GLU 1 -8.666 0.124 3.372
7 1HG GLU 1 2HG GLU 1 -7.333 -1.285 1.877
8 2HG GLU 1 1HG GLU 1 -6.506 -1.978 3.270
9 H GLU 2 H GLU 2 -4.837 0.536 1.881
10 HA GLU 2 HA GLU 2 -6.170 2.248 -0.109
11 1HB GLU 2 2HB GLU 2 -3.215 1.893 0.426
12 2HB GLU 2 1HB GLU 2 -3.857 2.731 -0.976
13 1HG GLU 2 2HG GLU 2 -3.252 4.396 0.575
14 2HG GLU 2 1HG GLU 2 -5.008 4.304 0.614
15 H SER 3 H SER 3 -3.507 -0.167 -0.132
16 HA SER 3 HA SER 3 -2.974 -1.871 -1.519
17 1HB SER 3 2HB SER 3 -4.794 -3.467 -2.074
18 2HB SER 3 1HB SER 3 -4.777 -2.980 -0.383
19 HG SER 3 HG SER 3 -6.889 -2.935 -1.269
20 H ASP 4 H ASP 4 -4.085 0.811 -2.783
21 HA ASP 4 HA ASP 4 -4.782 -0.033 -5.454
22 1HB ASP 4 2HB ASP 4 -4.706 2.397 -5.993
23 2HB ASP 4 1HB ASP 4 -5.746 2.040 -4.624
24 H ASP 5 H ASP 5 -2.070 -0.196 -3.769
25 HA ASP 5 HA ASP 5 -0.316 0.101 -6.121
26 1HB ASP 5 2HB ASP 5 0.346 0.825 -3.252
27 2HB ASP 5 1HB ASP 5 1.505 0.816 -4.581
28 H ASP 6 H ASP 6 -0.238 -1.167 -2.790
29 HA ASP 6 HA ASP 6 0.317 -3.839 -3.744
30 1HB ASP 6 2HB ASP 6 2.229 -4.102 -2.139
31 2HB ASP 6 1HB ASP 6 2.563 -3.012 -3.476
32 H MET 7 H MET 7 0.204 -1.920 -0.783
33 HA MET 7 HA MET 7 -1.900 -3.652 0.304
34 1HB MET 7 2HB MET 7 0.601 -2.831 1.812
35 2HB MET 7 1HB MET 7 -0.801 -3.621 2.520
36 1HG MET 7 2HG MET 7 0.959 -4.804 0.379
37 2HG MET 7 1HG MET 7 1.060 -5.171 2.097
38 1HE MET 7 1HE MET 7 -0.778 -6.917 3.356
39 2HE MET 7 2HE MET 7 -2.418 -6.941 2.707
40 3HE MET 7 3HE MET 7 -1.675 -5.410 3.167
41 H GLY 8 H GLY 8 -2.268 -2.515 2.747
42 1HA GLY 8 2HA GLY 8 -3.449 0.041 2.071
43 2HA GLY 8 1HA GLY 8 -3.619 -0.822 3.592
44 H PHE 9 H PHE 9 -0.478 -0.271 2.258
45 HA PHE 9 HA PHE 9 0.268 1.398 4.499
46 1HB PHE 9 2HB PHE 9 1.848 -0.007 2.341
47 2HB PHE 9 1HB PHE 9 2.577 0.983 3.592
48 HD1 PHE 9 1HD PHE 9 -0.130 -1.631 3.799
49 HD2 PHE 9 2HD PHE 9 3.779 -0.403 4.940
50 HE1 PHE 9 1HE PHE 9 0.050 -3.587 5.277
51 HE2 PHE 9 2HE PHE 9 3.964 -2.354 6.425
52 HZ PHE 9 HZ PHE 9 2.098 -3.950 6.594
53 H GLY 10 H GLY 10 1.863 1.681 1.398
54 1HA GLY 10 2HA GLY 10 0.603 3.879 0.271
55 2HA GLY 10 1HA GLY 10 1.735 4.533 1.444
56 H LEU 11 H LEU 11 1.419 2.639 -1.505
57 HA LEU 11 HA LEU 11 2.774 2.134 -3.226
58 1HB LEU 11 2HB LEU 11 4.123 4.693 -2.387
59 2HB LEU 11 1HB LEU 11 4.366 3.900 -3.931
60 1HD1 LEU 11 1HD1 LEU 11 1.921 5.298 -1.699
61 2HD1 LEU 11 2HD1 LEU 11 0.684 5.712 -2.886
62 3HD1 LEU 11 3HD1 LEU 11 2.110 6.733 -2.707
63 1HD2 LEU 11 1HD2 LEU 11 2.838 5.133 -5.804
64 2HD2 LEU 11 2HD2 LEU 11 3.941 6.036 -4.766
65 3HD2 LEU 11 3HD2 LEU 11 2.282 6.594 -4.991
66 H PHE 12 H PHE 12 3.407 0.656 -1.038
67 HA PHE 12 HA PHE 12 6.291 0.629 -0.658
68 1HB PHE 12 2HB PHE 12 4.032 -1.004 0.511
69 2HB PHE 12 1HB PHE 12 5.724 -1.354 0.840
70 HD1 PHE 12 1HD PHE 12 4.109 2.014 0.645
71 HD2 PHE 12 2HD PHE 12 5.861 -0.964 3.103
72 HE1 PHE 12 1HE PHE 12 4.078 3.577 2.537
73 HE2 PHE 12 2HE PHE 12 5.847 0.588 5.012
74 HZ PHE 12 HZ PHE 12 4.951 2.866 4.731
75 H ASP 13 H ASP 13 7.359 -1.580 -0.716
76 HA ASP 13 HA ASP 13 6.634 -2.958 -3.221
77 1HB ASP 13 2HB ASP 13 8.808 -1.707 -3.226
78 2HB ASP 13 1HB ASP 13 9.372 -2.752 -1.931
Start of MODEL 8
1 1H GLU 1 1HT GLU 1 -8.095 1.702 4.556
2 2H GLU 1 2HT GLU 1 -8.339 2.504 3.087
3 3H GLU 1 3HT GLU 1 -7.079 2.980 4.110
4 HA GLU 1 HA GLU 1 -5.752 1.224 3.582
5 1HB GLU 1 2HB GLU 1 -7.598 -0.371 4.229
6 2HB GLU 1 1HB GLU 1 -8.215 -0.242 2.591
7 1HG GLU 1 2HG GLU 1 -6.129 -1.195 1.731
8 2HG GLU 1 1HG GLU 1 -5.511 -1.321 3.376
9 H GLU 2 H GLU 2 -4.551 1.210 1.755
10 HA GLU 2 HA GLU 2 -5.659 2.524 -0.606
11 1HB GLU 2 2HB GLU 2 -2.808 1.983 0.241
12 2HB GLU 2 1HB GLU 2 -3.244 2.717 -1.293
13 1HG GLU 2 2HG GLU 2 -2.626 4.481 0.141
14 2HG GLU 2 1HG GLU 2 -4.379 4.540 0.013
15 H SER 3 H SER 3 -3.243 -0.101 -0.149
16 HA SER 3 HA SER 3 -2.757 -1.975 -1.318
17 1HB SER 3 2HB SER 3 -4.666 -3.455 -1.895
18 2HB SER 3 1HB SER 3 -4.747 -2.805 -0.262
19 HG SER 3 HG SER 3 -6.403 -1.534 -0.826
20 H ASP 4 H ASP 4 -3.503 0.651 -2.927
21 HA ASP 4 HA ASP 4 -4.033 -0.404 -5.562
22 1HB ASP 4 2HB ASP 4 -3.703 1.946 -6.318
23 2HB ASP 4 1HB ASP 4 -4.889 1.809 -5.028
24 H ASP 5 H ASP 5 -1.506 -0.605 -3.616
25 HA ASP 5 HA ASP 5 0.468 -0.676 -5.805
26 1HB ASP 5 2HB ASP 5 0.935 0.276 -2.965
27 2HB ASP 5 1HB ASP 5 2.200 0.048 -4.171
28 H ASP 6 H ASP 6 0.174 -1.609 -2.376
29 HA ASP 6 HA ASP 6 0.574 -4.399 -3.032
30 1HB ASP 6 2HB ASP 6 2.313 -4.648 -1.240
31 2HB ASP 6 1HB ASP 6 2.850 -3.727 -2.638
32 H MET 7 H MET 7 0.362 -2.188 -0.288
33 HA MET 7 HA MET 7 -1.944 -3.669 0.763
34 1HB MET 7 2HB MET 7 0.463 -2.829 2.403
35 2HB MET 7 1HB MET 7 -1.042 -3.457 3.057
36 1HG MET 7 2HG MET 7 0.813 -4.963 1.221
37 2HG MET 7 1HG MET 7 0.744 -5.146 2.969
38 1HE MET 7 1HE MET 7 -2.996 -6.054 3.366
39 2HE MET 7 2HE MET 7 -1.567 -5.293 4.065
40 3HE MET 7 3HE MET 7 -1.706 -7.051 4.037
41 H GLY 8 H GLY 8 -2.487 -2.275 3.012
42 1HA GLY 8 2HA GLY 8 -3.435 0.254 1.982
43 2HA GLY 8 1HA GLY 8 -3.791 -0.435 3.558
44 H PHE 9 H PHE 9 -0.518 -0.125 2.435
45 HA PHE 9 HA PHE 9 0.125 1.684 4.594
46 1HB PHE 9 2HB PHE 9 1.792 0.076 2.657
47 2HB PHE 9 1HB PHE 9 2.480 1.156 3.856
48 HD1 PHE 9 1HD PHE 9 -0.317 -1.347 4.146
49 HD2 PHE 9 2HD PHE 9 3.572 -0.146 5.375
50 HE1 PHE 9 1HE PHE 9 -0.281 -3.167 5.799
51 HE2 PHE 9 2HE PHE 9 3.614 -1.961 7.034
52 HZ PHE 9 HZ PHE 9 1.686 -3.476 7.247
53 H GLY 10 H GLY 10 2.018 1.769 1.663
54 1HA GLY 10 2HA GLY 10 0.843 3.930 0.326
55 2HA GLY 10 1HA GLY 10 1.956 4.597 1.509
56 H LEU 11 H LEU 11 1.666 2.590 -1.363
57 HA LEU 11 HA LEU 11 3.065 1.931 -2.995
58 1HB LEU 11 2HB LEU 11 4.465 4.493 -2.253
59 2HB LEU 11 1HB LEU 11 4.730 3.608 -3.744
60 1HD1 LEU 11 1HD1 LEU 11 1.848 4.976 -1.795
61 2HD1 LEU 11 2HD1 LEU 11 1.213 5.925 -3.139
62 3HD1 LEU 11 3HD1 LEU 11 2.742 6.377 -2.384
63 1HD2 LEU 11 1HD2 LEU 11 3.279 4.825 -5.730
64 2HD2 LEU 11 2HD2 LEU 11 4.407 5.699 -4.696
65 3HD2 LEU 11 3HD2 LEU 11 2.784 6.336 -4.970
66 H PHE 12 H PHE 12 3.581 0.420 -0.910
67 HA PHE 12 HA PHE 12 6.442 0.378 -0.343
68 1HB PHE 12 2HB PHE 12 4.098 -1.200 0.736
69 2HB PHE 12 1HB PHE 12 5.766 -1.555 1.168
70 HD1 PHE 12 1HD PHE 12 4.107 1.789 0.821
71 HD2 PHE 12 2HD PHE 12 5.870 -1.075 3.399
72 HE1 PHE 12 1HE PHE 12 3.998 3.404 2.664
73 HE2 PHE 12 2HE PHE 12 5.775 0.530 5.264
74 HZ PHE 12 HZ PHE 12 4.835 2.777 4.897
75 H ASP 13 H ASP 13 4.693 -0.537 -2.852
76 HA ASP 13 HA ASP 13 5.808 -3.214 -3.234
77 1HB ASP 13 2HB ASP 13 3.403 -2.744 -3.770
78 2HB ASP 13 1HB ASP 13 3.938 -1.642 -5.031
Start of MODEL 9
1 1H GLU 1 1HT GLU 1 -6.553 2.142 4.977
2 2H GLU 1 2HT GLU 1 -5.970 0.811 5.842
3 3H GLU 1 3HT GLU 1 -7.636 1.095 5.747
4 HA GLU 1 HA GLU 1 -6.051 -0.450 4.054
5 1HB GLU 1 2HB GLU 1 -8.403 -0.793 4.902
6 2HB GLU 1 1HB GLU 1 -8.938 0.431 3.763
7 1HG GLU 1 2HG GLU 1 -8.178 -0.968 1.903
8 2HG GLU 1 1HG GLU 1 -7.640 -2.194 3.048
9 H GLU 2 H GLU 2 -5.201 -0.142 2.096
10 HA GLU 2 HA GLU 2 -5.973 2.232 0.537
11 1HB GLU 2 2HB GLU 2 -3.171 1.155 0.939
12 2HB GLU 2 1HB GLU 2 -3.597 2.437 -0.181
13 1HG GLU 2 2HG GLU 2 -4.044 2.613 2.791
14 2HG GLU 2 1HG GLU 2 -2.581 3.174 1.991
15 H SER 3 H SER 3 -3.795 -0.567 0.033
16 HA SER 3 HA SER 3 -3.543 -2.067 -1.637
17 1HB SER 3 2HB SER 3 -5.594 -3.187 -2.471
18 2HB SER 3 1HB SER 3 -5.547 -3.025 -0.719
19 HG SER 3 HG SER 3 -7.320 -1.998 -2.511
20 H ASP 4 H ASP 4 -4.125 0.952 -2.366
21 HA ASP 4 HA ASP 4 -4.887 0.778 -5.141
22 1HB ASP 4 2HB ASP 4 -4.317 3.205 -5.204
23 2HB ASP 4 1HB ASP 4 -5.459 2.803 -3.931
24 H ASP 5 H ASP 5 -2.285 -0.184 -3.522
25 HA ASP 5 HA ASP 5 -0.461 0.160 -5.812
26 1HB ASP 5 2HB ASP 5 0.264 0.314 -2.871
27 2HB ASP 5 1HB ASP 5 1.430 0.294 -4.193
28 H ASP 6 H ASP 6 -0.399 -1.569 -2.696
29 HA ASP 6 HA ASP 6 -0.540 -4.146 -3.996
30 1HB ASP 6 2HB ASP 6 1.486 -4.979 -2.769
31 2HB ASP 6 1HB ASP 6 1.844 -3.807 -4.029
32 H MET 7 H MET 7 -0.159 -2.357 -1.009
33 HA MET 7 HA MET 7 -2.127 -4.090 0.318
34 1HB MET 7 2HB MET 7 0.465 -3.109 1.556
35 2HB MET 7 1HB MET 7 -0.822 -3.945 2.415
36 1HG MET 7 2HG MET 7 0.791 -5.104 0.149
37 2HG MET 7 1HG MET 7 1.069 -5.413 1.858
38 1HE MET 7 1HE MET 7 -1.924 -7.638 2.897
39 2HE MET 7 2HE MET 7 -1.947 -5.881 3.056
40 3HE MET 7 3HE MET 7 -0.466 -6.778 3.394
41 H GLY 8 H GLY 8 -2.309 -2.840 2.741
42 1HA GLY 8 2HA GLY 8 -3.741 -0.433 2.112
43 2HA GLY 8 1HA GLY 8 -3.513 -1.123 3.713
44 H PHE 9 H PHE 9 -0.664 -0.688 1.928
45 HA PHE 9 HA PHE 9 0.256 1.452 3.649
46 1HB PHE 9 2HB PHE 9 1.662 -0.304 1.616
47 2HB PHE 9 1HB PHE 9 2.460 0.876 2.638
48 HD1 PHE 9 1HD PHE 9 -0.111 -1.740 3.421
49 HD2 PHE 9 2HD PHE 9 3.811 -0.251 4.095
50 HE1 PHE 9 1HE PHE 9 0.242 -3.464 5.144
51 HE2 PHE 9 2HE PHE 9 4.172 -1.963 5.823
52 HZ PHE 9 HZ PHE 9 2.387 -3.574 6.349
53 H GLY 10 H GLY 10 2.229 2.492 1.847
54 1HA GLY 10 2HA GLY 10 0.585 3.719 -0.273
55 2HA GLY 10 1HA GLY 10 1.507 4.737 0.825
56 H LEU 11 H LEU 11 1.635 2.533 -1.862
57 HA LEU 11 HA LEU 11 3.102 2.246 -3.575
58 1HB LEU 11 2HB LEU 11 4.730 4.343 -2.161
59 2HB LEU 11 1HB LEU 11 5.172 3.651 -3.708
60 1HD1 LEU 11 1HD1 LEU 11 4.751 6.365 -2.674
61 2HD1 LEU 11 2HD1 LEU 11 3.526 7.153 -3.672
62 3HD1 LEU 11 3HD1 LEU 11 4.967 6.462 -4.423
63 1HD2 LEU 11 1HD2 LEU 11 2.367 4.260 -5.421
64 2HD2 LEU 11 2HD2 LEU 11 4.105 4.023 -5.594
65 3HD2 LEU 11 3HD2 LEU 11 3.406 5.623 -5.839
66 H PHE 12 H PHE 12 3.944 1.926 -0.305
67 HA PHE 12 HA PHE 12 6.434 0.575 -0.485
68 1HB PHE 12 2HB PHE 12 4.306 0.683 1.658
69 2HB PHE 12 1HB PHE 12 5.811 -0.204 1.861
70 HD1 PHE 12 1HD PHE 12 5.445 3.170 0.261
71 HD2 PHE 12 2HD PHE 12 6.725 0.934 3.647
72 HE1 PHE 12 1HE PHE 12 6.526 5.179 1.175
73 HE2 PHE 12 2HE PHE 12 7.818 2.938 4.561
74 HZ PHE 12 HZ PHE 12 7.717 5.064 3.327
75 H ASP 13 H ASP 13 6.906 -1.449 -0.999
76 HA ASP 13 HA ASP 13 4.728 -3.375 -1.417
77 1HB ASP 13 2HB ASP 13 6.265 -2.833 -3.325
78 2HB ASP 13 1HB ASP 13 7.597 -3.500 -2.393
Start of MODEL 10
1 1H GLU 1 1HT GLU 1 -7.324 -1.155 3.691
2 2H GLU 1 2HT GLU 1 -6.056 -0.082 4.006
3 3H GLU 1 3HT GLU 1 -6.264 -0.710 2.449
4 HA GLU 1 HA GLU 1 -8.663 0.418 2.908
5 1HB GLU 1 2HB GLU 1 -7.639 1.331 5.025
6 2HB GLU 1 1HB GLU 1 -6.528 2.256 4.029
7 1HG GLU 1 2HG GLU 1 -8.417 3.473 3.055
8 2HG GLU 1 1HG GLU 1 -9.531 2.541 4.055
9 H GLU 2 H GLU 2 -5.412 0.575 1.778
10 HA GLU 2 HA GLU 2 -6.167 2.305 -0.475
11 1HB GLU 2 2HB GLU 2 -3.453 1.628 0.674
12 2HB GLU 2 1HB GLU 2 -3.677 2.526 -0.817
13 1HG GLU 2 2HG GLU 2 -3.235 4.091 0.916
14 2HG GLU 2 1HG GLU 2 -4.930 4.248 0.475
15 H SER 3 H SER 3 -3.745 -0.320 -0.082
16 HA SER 3 HA SER 3 -3.126 -2.058 -1.388
17 1HB SER 3 2HB SER 3 -4.935 -3.503 -2.280
18 2HB SER 3 1HB SER 3 -5.182 -3.032 -0.602
19 HG SER 3 HG SER 3 -6.992 -2.158 -1.185
20 H ASP 4 H ASP 4 -3.701 0.712 -2.714
21 HA ASP 4 HA ASP 4 -4.103 0.086 -5.489
22 1HB ASP 4 2HB ASP 4 -3.472 2.471 -5.870
23 2HB ASP 4 1HB ASP 4 -4.763 2.281 -4.692
24 H ASP 5 H ASP 5 -1.695 -0.505 -3.407
25 HA ASP 5 HA ASP 5 0.392 -0.566 -5.487
26 1HB ASP 5 2HB ASP 5 0.712 0.031 -2.532
27 2HB ASP 5 1HB ASP 5 2.051 -0.193 -3.660
28 H ASP 6 H ASP 6 -0.219 -1.807 -2.209
29 HA ASP 6 HA ASP 6 -0.143 -4.550 -3.091
30 1HB ASP 6 2HB ASP 6 1.565 -5.185 -1.370
31 2HB ASP 6 1HB ASP 6 2.210 -4.211 -2.684
32 H MET 7 H MET 7 -0.093 -2.469 -0.256
33 HA MET 7 HA MET 7 -2.529 -3.731 0.787
34 1HB MET 7 2HB MET 7 -0.024 -3.193 2.415
35 2HB MET 7 1HB MET 7 -1.576 -3.696 3.074
36 1HG MET 7 2HG MET 7 0.106 -5.313 1.165
37 2HG MET 7 1HG MET 7 0.033 -5.546 2.908
38 1HE MET 7 1HE MET 7 -2.909 -5.265 3.705
39 2HE MET 7 2HE MET 7 -2.065 -6.741 4.173
40 3HE MET 7 3HE MET 7 -3.650 -6.838 3.406
41 H GLY 8 H GLY 8 -2.449 -2.217 3.252
42 1HA GLY 8 2HA GLY 8 -3.491 0.301 2.310
43 2HA GLY 8 1HA GLY 8 -3.394 -0.231 3.983
44 H PHE 9 H PHE 9 -0.568 -0.369 2.035
45 HA PHE 9 HA PHE 9 0.768 1.641 3.633
46 1HB PHE 9 2HB PHE 9 1.756 -0.398 1.621
47 2HB PHE 9 1HB PHE 9 2.797 0.697 2.511
48 HD1 PHE 9 1HD PHE 9 -0.095 -1.390 3.667
49 HD2 PHE 9 2HD PHE 9 4.071 -0.586 3.916
50 HE1 PHE 9 1HE PHE 9 0.113 -3.048 5.476
51 HE2 PHE 9 2HE PHE 9 4.288 -2.234 5.728
52 HZ PHE 9 HZ PHE 9 2.307 -3.469 6.510
53 H GLY 10 H GLY 10 2.777 2.296 1.688
54 1HA GLY 10 2HA GLY 10 1.278 3.634 -0.450
55 2HA GLY 10 1HA GLY 10 2.242 4.621 0.637
56 H LEU 11 H LEU 11 2.302 2.240 -1.920
57 HA LEU 11 HA LEU 11 3.839 1.535 -3.414
58 1HB LEU 11 2HB LEU 11 4.971 4.256 -2.800
59 2HB LEU 11 1HB LEU 11 5.550 3.249 -4.111
60 1HD1 LEU 11 1HD1 LEU 11 2.438 4.327 -2.669
61 2HD1 LEU 11 2HD1 LEU 11 1.505 4.383 -4.165
62 3HD1 LEU 11 3HD1 LEU 11 2.484 5.769 -3.684
63 1HD2 LEU 11 1HD2 LEU 11 4.463 6.042 -4.682
64 2HD2 LEU 11 2HD2 LEU 11 3.558 5.480 -6.088
65 3HD2 LEU 11 3HD2 LEU 11 5.160 4.821 -5.745
66 H PHE 12 H PHE 12 4.279 0.415 -0.941
67 HA PHE 12 HA PHE 12 7.128 0.508 -0.352
68 1HB PHE 12 2HB PHE 12 4.812 -0.969 0.911
69 2HB PHE 12 1HB PHE 12 6.483 -1.198 1.416
70 HD1 PHE 12 1HD PHE 12 4.545 1.924 0.612
71 HD2 PHE 12 2HD PHE 12 6.706 -0.318 3.491
72 HE1 PHE 12 1HE PHE 12 4.347 3.790 2.193
73 HE2 PHE 12 2HE PHE 12 6.520 1.542 5.092
74 HZ PHE 12 HZ PHE 12 5.336 3.603 4.444
75 H ASP 13 H ASP 13 5.080 -1.152 -2.421
76 HA ASP 13 HA ASP 13 7.034 -3.332 -2.771
77 1HB ASP 13 2HB ASP 13 4.880 -4.123 -1.759
78 2HB ASP 13 1HB ASP 13 4.038 -3.549 -3.192
Start of MODEL 11
1 1H GLU 1 1HT GLU 1 -7.339 3.571 3.295
2 2H GLU 1 2HT GLU 1 -6.222 3.051 4.454
3 3H GLU 1 3HT GLU 1 -7.836 2.558 4.556
4 HA GLU 1 HA GLU 1 -5.923 1.051 3.520
5 1HB GLU 1 2HB GLU 1 -8.335 0.538 4.059
6 2HB GLU 1 1HB GLU 1 -8.769 1.174 2.482
7 1HG GLU 1 2HG GLU 1 -7.439 -0.579 1.408
8 2HG GLU 1 1HG GLU 1 -7.002 -1.216 2.992
9 H GLU 2 H GLU 2 -4.746 0.815 1.723
10 HA GLU 2 HA GLU 2 -5.372 2.495 -0.606
11 1HB GLU 2 2HB GLU 2 -2.691 1.723 0.545
12 2HB GLU 2 1HB GLU 2 -2.871 2.392 -1.068
13 1HG GLU 2 2HG GLU 2 -2.247 4.171 0.361
14 2HG GLU 2 1HG GLU 2 -3.945 4.401 -0.032
15 H SER 3 H SER 3 -3.108 -0.268 -0.135
16 HA SER 3 HA SER 3 -2.702 -2.126 -1.366
17 1HB SER 3 2HB SER 3 -4.668 -3.542 -1.910
18 2HB SER 3 1HB SER 3 -4.681 -2.925 -0.263
19 HG SER 3 HG SER 3 -6.691 -2.781 -1.636
20 H ASP 4 H ASP 4 -3.422 0.554 -2.880
21 HA ASP 4 HA ASP 4 -4.080 -0.388 -5.524
22 1HB ASP 4 2HB ASP 4 -3.646 1.980 -6.202
23 2HB ASP 4 1HB ASP 4 -4.826 1.832 -4.909
24 H ASP 5 H ASP 5 -1.487 -0.705 -3.660
25 HA ASP 5 HA ASP 5 0.404 -0.821 -5.920
26 1HB ASP 5 2HB ASP 5 0.996 0.063 -3.080
27 2HB ASP 5 1HB ASP 5 2.215 -0.193 -4.328
28 H ASP 6 H ASP 6 0.196 -1.784 -2.499
29 HA ASP 6 HA ASP 6 0.402 -4.581 -3.181
30 1HB ASP 6 2HB ASP 6 2.231 -4.945 -1.495
31 2HB ASP 6 1HB ASP 6 2.735 -4.066 -2.931
32 H MET 7 H MET 7 0.584 -2.465 -0.359
33 HA MET 7 HA MET 7 -1.664 -3.907 0.861
34 1HB MET 7 2HB MET 7 0.650 -2.650 2.338
35 2HB MET 7 1HB MET 7 -0.655 -3.614 3.014
36 1HG MET 7 2HG MET 7 0.174 -5.506 1.569
37 2HG MET 7 1HG MET 7 1.586 -4.519 1.240
38 1HE MET 7 1HE MET 7 1.916 -7.190 2.070
39 2HE MET 7 2HE MET 7 2.534 -7.477 3.696
40 3HE MET 7 3HE MET 7 3.447 -6.472 2.570
41 H GLY 8 H GLY 8 -2.419 -2.501 2.886
42 1HA GLY 8 2HA GLY 8 -3.405 -0.016 1.770
43 2HA GLY 8 1HA GLY 8 -3.886 -0.744 3.295
44 H PHE 9 H PHE 9 -0.557 -0.147 2.397
45 HA PHE 9 HA PHE 9 -0.221 1.631 4.663
46 1HB PHE 9 2HB PHE 9 1.706 0.136 2.888
47 2HB PHE 9 1HB PHE 9 2.219 1.248 4.142
48 HD1 PHE 9 1HD PHE 9 -0.428 -1.434 4.162
49 HD2 PHE 9 2HD PHE 9 3.222 0.031 5.775
50 HE1 PHE 9 1HE PHE 9 -0.435 -3.251 5.819
51 HE2 PHE 9 2HE PHE 9 3.220 -1.779 7.439
52 HZ PHE 9 HZ PHE 9 1.390 -3.425 7.462
53 H GLY 10 H GLY 10 1.727 1.729 1.732
54 1HA GLY 10 2HA GLY 10 0.603 3.925 0.435
55 2HA GLY 10 1HA GLY 10 1.703 4.575 1.638
56 H LEU 11 H LEU 11 1.438 2.642 -1.279
57 HA LEU 11 HA LEU 11 2.862 2.024 -2.919
58 1HB LEU 11 2HB LEU 11 4.183 4.588 -2.048
59 2HB LEU 11 1HB LEU 11 4.625 3.722 -3.505
60 1HD1 LEU 11 1HD1 LEU 11 1.353 4.515 -1.983
61 2HD1 LEU 11 2HD1 LEU 11 0.754 5.505 -3.313
62 3HD1 LEU 11 3HD1 LEU 11 1.967 6.153 -2.210
63 1HD2 LEU 11 1HD2 LEU 11 3.651 6.631 -3.681
64 2HD2 LEU 11 2HD2 LEU 11 2.670 6.258 -5.097
65 3HD2 LEU 11 3HD2 LEU 11 4.254 5.503 -4.893
66 H PHE 12 H PHE 12 3.329 0.480 -0.810
67 HA PHE 12 HA PHE 12 6.182 0.379 -0.229
68 1HB PHE 12 2HB PHE 12 3.795 -1.167 0.797
69 2HB PHE 12 1HB PHE 12 5.448 -1.590 1.224
70 HD1 PHE 12 1HD PHE 12 3.941 1.833 0.957
71 HD2 PHE 12 2HD PHE 12 5.522 -1.188 3.476
72 HE1 PHE 12 1HE PHE 12 3.881 3.396 2.848
73 HE2 PHE 12 2HE PHE 12 5.475 0.364 5.384
74 HZ PHE 12 HZ PHE 12 4.651 2.663 5.072
75 H ASP 13 H ASP 13 4.528 -0.414 -2.806
76 HA ASP 13 HA ASP 13 5.536 -3.127 -3.224
77 1HB ASP 13 2HB ASP 13 3.191 -2.514 -3.874
78 2HB ASP 13 1HB ASP 13 3.851 -1.401 -5.063
Start of MODEL 12
1 1H GLU 1 1HT GLU 1 -7.125 2.384 4.892
2 2H GLU 1 2HT GLU 1 -7.495 0.968 5.738
3 3H GLU 1 3HT GLU 1 -8.514 1.503 4.499
4 HA GLU 1 HA GLU 1 -5.774 0.418 4.244
5 1HB GLU 1 2HB GLU 1 -8.466 -0.451 3.166
6 2HB GLU 1 1HB GLU 1 -6.935 -1.232 2.792
7 1HG GLU 1 2HG GLU 1 -6.651 -1.808 5.149
8 2HG GLU 1 1HG GLU 1 -8.184 -1.024 5.525
9 H GLU 2 H GLU 2 -5.140 0.109 1.937
10 HA GLU 2 HA GLU 2 -6.052 2.317 0.216
11 1HB GLU 2 2HB GLU 2 -3.190 1.412 0.627
12 2HB GLU 2 1HB GLU 2 -3.708 2.607 -0.549
13 1HG GLU 2 2HG GLU 2 -4.111 2.934 2.416
14 2HG GLU 2 1HG GLU 2 -2.675 3.495 1.569
15 H SER 3 H SER 3 -3.699 -0.344 -0.143
16 HA SER 3 HA SER 3 -3.372 -1.961 -1.680
17 1HB SER 3 2HB SER 3 -5.339 -3.287 -2.387
18 2HB SER 3 1HB SER 3 -5.294 -2.973 -0.657
19 HG SER 3 HG SER 3 -7.376 -2.642 -1.716
20 H ASP 4 H ASP 4 -4.430 0.945 -2.643
21 HA ASP 4 HA ASP 4 -5.008 0.390 -5.416
22 1HB ASP 4 2HB ASP 4 -4.911 2.888 -5.659
23 2HB ASP 4 1HB ASP 4 -6.060 2.336 -4.449
24 H ASP 5 H ASP 5 -2.363 0.129 -3.612
25 HA ASP 5 HA ASP 5 -0.527 0.483 -5.875
26 1HB ASP 5 2HB ASP 5 -0.010 1.516 -3.070
27 2HB ASP 5 1HB ASP 5 1.191 1.462 -4.357
28 H ASP 6 H ASP 6 -0.137 -0.315 -2.434
29 HA ASP 6 HA ASP 6 0.193 -3.128 -2.891
30 1HB ASP 6 2HB ASP 6 2.468 -2.204 -3.462
31 2HB ASP 6 1HB ASP 6 2.567 -1.545 -1.836
32 H MET 7 H MET 7 -1.415 -3.493 -1.440
33 HA MET 7 HA MET 7 -2.482 -3.820 0.543
34 1HB MET 7 2HB MET 7 0.189 -3.087 1.778
35 2HB MET 7 1HB MET 7 -1.176 -3.785 2.642
36 1HG MET 7 2HG MET 7 0.307 -5.118 0.384
37 2HG MET 7 1HG MET 7 0.563 -5.437 2.097
38 1HE MET 7 1HE MET 7 0.507 -7.653 1.007
39 2HE MET 7 2HE MET 7 -0.763 -8.142 -0.114
40 3HE MET 7 3HE MET 7 -0.828 -8.657 1.572
41 H GLY 8 H GLY 8 -2.528 -2.542 2.970
42 1HA GLY 8 2HA GLY 8 -3.793 -0.050 2.335
43 2HA GLY 8 1HA GLY 8 -3.564 -0.721 3.942
44 H PHE 9 H PHE 9 -0.713 -0.572 2.153
45 HA PHE 9 HA PHE 9 0.401 1.521 3.792
46 1HB PHE 9 2HB PHE 9 1.601 -0.312 1.696
47 2HB PHE 9 1HB PHE 9 2.520 0.806 2.686
48 HD1 PHE 9 1HD PHE 9 -0.198 -1.615 3.583
49 HD2 PHE 9 2HD PHE 9 3.852 -0.428 4.076
50 HE1 PHE 9 1HE PHE 9 0.103 -3.367 5.288
51 HE2 PHE 9 2HE PHE 9 4.162 -2.167 5.787
52 HZ PHE 9 HZ PHE 9 2.286 -3.641 6.394
53 H GLY 10 H GLY 10 2.359 2.492 1.984
54 1HA GLY 10 2HA GLY 10 0.733 3.865 -0.057
55 2HA GLY 10 1HA GLY 10 1.794 4.774 1.009
56 H LEU 11 H LEU 11 1.610 2.583 -1.701
57 HA LEU 11 HA LEU 11 3.002 1.949 -3.344
58 1HB LEU 11 2HB LEU 11 4.356 4.550 -2.660
59 2HB LEU 11 1HB LEU 11 4.642 3.638 -4.130
60 1HD1 LEU 11 1HD1 LEU 11 1.804 5.058 -2.190
61 2HD1 LEU 11 2HD1 LEU 11 1.078 5.887 -3.566
62 3HD1 LEU 11 3HD1 LEU 11 2.616 6.448 -2.911
63 1HD2 LEU 11 1HD2 LEU 11 3.200 4.706 -6.141
64 2HD2 LEU 11 2HD2 LEU 11 4.258 5.708 -5.150
65 3HD2 LEU 11 3HD2 LEU 11 2.606 6.232 -5.491
66 H PHE 12 H PHE 12 3.584 0.689 -0.949
67 HA PHE 12 HA PHE 12 6.467 0.645 -0.583
68 1HB PHE 12 2HB PHE 12 4.194 -0.832 0.753
69 2HB PHE 12 1HB PHE 12 5.884 -1.172 1.106
70 HD1 PHE 12 1HD PHE 12 4.184 2.128 0.621
71 HD2 PHE 12 2HD PHE 12 6.177 -0.513 3.273
72 HE1 PHE 12 1HE PHE 12 4.184 3.880 2.342
73 HE2 PHE 12 2HE PHE 12 6.193 1.229 5.011
74 HZ PHE 12 HZ PHE 12 5.192 3.433 4.548
75 H ASP 13 H ASP 13 7.531 -1.528 -0.450
76 HA ASP 13 HA ASP 13 6.861 -3.097 -2.846
77 1HB ASP 13 2HB ASP 13 9.116 -2.004 -2.721
78 2HB ASP 13 1HB ASP 13 9.479 -2.994 -1.315
Start of MODEL 13
1 1H GLU 1 1HT GLU 1 -3.359 -4.713 1.782
2 2H GLU 1 2HT GLU 1 -2.016 -3.762 1.390
3 3H GLU 1 3HT GLU 1 -1.923 -4.873 2.663
4 HA GLU 1 HA GLU 1 -0.875 -6.079 1.075
5 1HB GLU 1 2HB GLU 1 -2.997 -7.186 1.880
6 2HB GLU 1 1HB GLU 1 -3.787 -6.616 0.419
7 1HG GLU 1 2HG GLU 1 -2.244 -7.950 -0.937
8 2HG GLU 1 1HG GLU 1 -1.450 -8.519 0.531
9 H GLU 2 H GLU 2 -2.646 -3.482 -0.035
10 HA GLU 2 HA GLU 2 -1.921 -3.951 -2.852
11 1HB GLU 2 2HB GLU 2 -4.043 -2.119 -1.707
12 2HB GLU 2 1HB GLU 2 -3.649 -2.262 -3.412
13 1HG GLU 2 2HG GLU 2 -5.611 -3.520 -3.070
14 2HG GLU 2 1HG GLU 2 -4.306 -4.685 -3.257
15 H SER 3 H SER 3 -1.977 -1.572 -0.241
16 HA SER 3 HA SER 3 -0.866 0.349 0.204
17 1HB SER 3 2HB SER 3 1.527 0.457 -0.428
18 2HB SER 3 1HB SER 3 1.066 -1.078 0.294
19 HG SER 3 HG SER 3 1.813 -1.974 -1.442
20 H ASP 4 H ASP 4 0.262 2.307 -0.671
21 HA ASP 4 HA ASP 4 -0.060 4.230 -1.829
22 1HB ASP 4 2HB ASP 4 0.783 4.199 -4.158
23 2HB ASP 4 1HB ASP 4 1.840 3.358 -3.039
24 H ASP 5 H ASP 5 -2.382 2.220 -1.770
25 HA ASP 5 HA ASP 5 -3.978 3.276 -4.001
26 1HB ASP 5 2HB ASP 5 -3.872 0.800 -3.648
27 2HB ASP 5 1HB ASP 5 -4.654 1.021 -2.090
28 H ASP 6 H ASP 6 -4.964 2.308 -0.708
29 HA ASP 6 HA ASP 6 -6.008 4.986 -0.221
30 1HB ASP 6 2HB ASP 6 -8.125 3.984 0.688
31 2HB ASP 6 1HB ASP 6 -7.931 3.815 -1.052
32 H MET 7 H MET 7 -4.217 2.418 0.847
33 HA MET 7 HA MET 7 -4.768 2.627 3.680
34 1HB MET 7 2HB MET 7 -2.503 1.177 2.276
35 2HB MET 7 1HB MET 7 -2.998 0.972 3.951
36 1HG MET 7 2HG MET 7 -5.170 0.113 3.195
37 2HG MET 7 1HG MET 7 -4.643 0.282 1.526
38 1HE MET 7 1HE MET 7 -3.002 -0.965 4.824
39 2HE MET 7 2HE MET 7 -2.774 -2.690 4.535
40 3HE MET 7 3HE MET 7 -4.396 -2.046 4.792
41 H GLY 8 H GLY 8 -2.789 2.899 5.179
42 1HA GLY 8 2HA GLY 8 -1.649 5.506 4.656
43 2HA GLY 8 1HA GLY 8 -1.465 4.560 6.126
44 H PHE 9 H PHE 9 -0.820 2.990 3.166
45 HA PHE 9 HA PHE 9 2.006 2.756 3.773
46 1HB PHE 9 2HB PHE 9 0.198 1.355 1.789
47 2HB PHE 9 1HB PHE 9 1.896 0.985 2.019
48 HD1 PHE 9 1HD PHE 9 -0.801 1.587 4.551
49 HD2 PHE 9 2HD PHE 9 1.978 -1.145 2.854
50 HE1 PHE 9 1HE PHE 9 -1.386 -0.072 6.276
51 HE2 PHE 9 2HE PHE 9 1.409 -2.806 4.577
52 HZ PHE 9 HZ PHE 9 -0.276 -2.271 6.291
53 H GLY 10 H GLY 10 3.371 2.521 1.624
54 1HA GLY 10 2HA GLY 10 2.629 4.522 -0.364
55 2HA GLY 10 1HA GLY 10 4.079 4.840 0.574
56 H LEU 11 H LEU 11 2.623 2.911 -1.914
57 HA LEU 11 HA LEU 11 3.372 1.513 -3.517
58 1HB LEU 11 2HB LEU 11 5.881 3.117 -3.065
59 2HB LEU 11 1HB LEU 11 5.665 2.019 -4.413
60 1HD1 LEU 11 1HD1 LEU 11 3.518 4.532 -2.802
61 2HD1 LEU 11 2HD1 LEU 11 3.229 5.511 -4.239
62 3HD1 LEU 11 3HD1 LEU 11 4.774 5.618 -3.396
63 1HD2 LEU 11 1HD2 LEU 11 6.288 4.948 -4.949
64 2HD2 LEU 11 2HD2 LEU 11 5.079 5.046 -6.229
65 3HD2 LEU 11 3HD2 LEU 11 6.050 3.583 -6.038
66 H PHE 12 H PHE 12 3.287 0.197 -1.145
67 HA PHE 12 HA PHE 12 5.763 -1.290 -0.774
68 1HB PHE 12 2HB PHE 12 3.105 -1.321 0.663
69 2HB PHE 12 1HB PHE 12 4.393 -2.465 1.023
70 HD1 PHE 12 1HD PHE 12 4.614 1.212 0.353
71 HD2 PHE 12 2HD PHE 12 5.065 -1.951 3.142
72 HE1 PHE 12 1HE PHE 12 5.581 2.792 1.966
73 HE2 PHE 12 2HE PHE 12 6.041 -0.386 4.773
74 HZ PHE 12 HZ PHE 12 6.299 1.993 4.186
75 H ASP 13 H ASP 13 5.533 -3.701 -0.503
76 HA ASP 13 HA ASP 13 3.832 -4.841 -2.627
77 1HB ASP 13 2HB ASP 13 6.262 -4.719 -3.234
78 2HB ASP 13 1HB ASP 13 6.620 -5.755 -1.859
Start of MODEL 14
1 1H GLU 1 1HT GLU 1 -7.761 0.971 5.675
2 2H GLU 1 2HT GLU 1 -6.594 1.991 4.997
3 3H GLU 1 3HT GLU 1 -6.115 0.640 5.897
4 HA GLU 1 HA GLU 1 -6.028 -0.552 4.061
5 1HB GLU 1 2HB GLU 1 -8.382 -1.018 4.846
6 2HB GLU 1 1HB GLU 1 -8.948 0.187 3.702
7 1HG GLU 1 2HG GLU 1 -8.071 -1.157 1.852
8 2HG GLU 1 1HG GLU 1 -7.501 -2.365 3.002
9 H GLU 2 H GLU 2 -5.281 -0.279 2.034
10 HA GLU 2 HA GLU 2 -6.072 2.112 0.518
11 1HB GLU 2 2HB GLU 2 -3.243 1.105 0.914
12 2HB GLU 2 1HB GLU 2 -3.700 2.376 -0.207
13 1HG GLU 2 2HG GLU 2 -4.156 2.542 2.765
14 2HG GLU 2 1HG GLU 2 -2.706 3.139 1.966
15 H SER 3 H SER 3 -3.839 -0.656 -0.004
16 HA SER 3 HA SER 3 -3.568 -2.125 -1.701
17 1HB SER 3 2HB SER 3 -5.605 -3.268 -2.536
18 2HB SER 3 1HB SER 3 -5.554 -3.125 -0.784
19 HG SER 3 HG SER 3 -6.981 -1.353 -0.956
20 H ASP 4 H ASP 4 -4.173 0.892 -2.390
21 HA ASP 4 HA ASP 4 -4.981 0.773 -5.151
22 1HB ASP 4 2HB ASP 4 -4.362 3.189 -5.192
23 2HB ASP 4 1HB ASP 4 -5.478 2.793 -3.893
24 H ASP 5 H ASP 5 -2.356 -0.215 -3.572
25 HA ASP 5 HA ASP 5 -0.572 0.053 -5.901
26 1HB ASP 5 2HB ASP 5 0.196 0.262 -2.973
27 2HB ASP 5 1HB ASP 5 1.348 0.182 -4.306
28 H ASP 6 H ASP 6 -0.624 -1.591 -2.748
29 HA ASP 6 HA ASP 6 -0.796 -4.199 -3.958
30 1HB ASP 6 2HB ASP 6 1.177 -5.054 -2.658
31 2HB ASP 6 1HB ASP 6 1.596 -3.945 -3.956
32 H MET 7 H MET 7 -0.055 -2.642 -0.881
33 HA MET 7 HA MET 7 -2.189 -4.186 0.428
34 1HB MET 7 2HB MET 7 0.301 -3.055 1.726
35 2HB MET 7 1HB MET 7 -0.903 -4.107 2.460
36 1HG MET 7 2HG MET 7 -0.265 -5.839 0.754
37 2HG MET 7 1HG MET 7 1.068 -4.794 0.300
38 1HE MET 7 1HE MET 7 3.568 -4.764 2.154
39 2HE MET 7 2HE MET 7 2.885 -4.433 3.747
40 3HE MET 7 3HE MET 7 2.283 -3.568 2.332
41 H GLY 8 H GLY 8 -2.401 -2.874 2.797
42 1HA GLY 8 2HA GLY 8 -3.838 -0.486 2.099
43 2HA GLY 8 1HA GLY 8 -3.641 -1.152 3.713
44 H PHE 9 H PHE 9 -0.770 -0.696 1.943
45 HA PHE 9 HA PHE 9 0.095 1.470 3.669
46 1HB PHE 9 2HB PHE 9 1.567 -0.302 1.695
47 2HB PHE 9 1HB PHE 9 2.328 0.902 2.719
48 HD1 PHE 9 1HD PHE 9 -0.226 -1.745 3.461
49 HD2 PHE 9 2HD PHE 9 3.644 -0.172 4.243
50 HE1 PHE 9 1HE PHE 9 0.103 -3.439 5.219
51 HE2 PHE 9 2HE PHE 9 3.980 -1.853 6.005
52 HZ PHE 9 HZ PHE 9 2.209 -3.493 6.494
53 H GLY 10 H GLY 10 2.100 2.496 1.886
54 1HA GLY 10 2HA GLY 10 0.478 3.687 -0.272
55 2HA GLY 10 1HA GLY 10 1.398 4.717 0.815
56 H LEU 11 H LEU 11 1.517 2.526 -1.867
57 HA LEU 11 HA LEU 11 2.992 2.220 -3.570
58 1HB LEU 11 2HB LEU 11 4.652 4.268 -2.124
59 2HB LEU 11 1HB LEU 11 5.093 3.580 -3.673
60 1HD1 LEU 11 1HD1 LEU 11 4.723 6.294 -2.622
61 2HD1 LEU 11 2HD1 LEU 11 3.524 7.117 -3.624
62 3HD1 LEU 11 3HD1 LEU 11 4.955 6.400 -4.368
63 1HD2 LEU 11 1HD2 LEU 11 2.433 4.050 -5.376
64 2HD2 LEU 11 2HD2 LEU 11 4.173 4.192 -5.621
65 3HD2 LEU 11 3HD2 LEU 11 3.142 5.614 -5.775
66 H PHE 12 H PHE 12 3.801 1.857 -0.294
67 HA PHE 12 HA PHE 12 6.260 0.443 -0.477
68 1HB PHE 12 2HB PHE 12 4.138 0.613 1.669
69 2HB PHE 12 1HB PHE 12 5.619 -0.314 1.871
70 HD1 PHE 12 1HD PHE 12 5.347 3.065 0.265
71 HD2 PHE 12 2HD PHE 12 6.559 0.803 3.659
72 HE1 PHE 12 1HE PHE 12 6.483 5.045 1.176
73 HE2 PHE 12 2HE PHE 12 7.706 2.778 4.569
74 HZ PHE 12 HZ PHE 12 7.666 4.904 3.329
75 H ASP 13 H ASP 13 6.671 -1.597 -0.983
76 HA ASP 13 HA ASP 13 4.435 -3.506 -1.201
77 1HB ASP 13 2HB ASP 13 5.570 -2.877 -3.348
78 2HB ASP 13 1HB ASP 13 7.067 -3.542 -2.710
Start of MODEL 15
1 1H GLU 1 1HT GLU 1 -6.334 3.006 4.239
2 2H GLU 1 2HT GLU 1 -6.823 1.849 5.371
3 3H GLU 1 3HT GLU 1 -7.944 2.483 4.275
4 HA GLU 1 HA GLU 1 -5.681 0.662 3.719
5 1HB GLU 1 2HB GLU 1 -7.899 -0.210 4.551
6 2HB GLU 1 1HB GLU 1 -8.644 0.458 3.109
7 1HG GLU 1 2HG GLU 1 -7.282 -1.026 1.716
8 2HG GLU 1 1HG GLU 1 -6.532 -1.693 3.165
9 H GLU 2 H GLU 2 -4.761 0.715 1.767
10 HA GLU 2 HA GLU 2 -5.951 2.416 -0.320
11 1HB GLU 2 2HB GLU 2 -3.035 1.967 0.343
12 2HB GLU 2 1HB GLU 2 -3.587 2.780 -1.111
13 1HG GLU 2 2HG GLU 2 -2.978 4.471 0.411
14 2HG GLU 2 1HG GLU 2 -4.737 4.449 0.375
15 H SER 3 H SER 3 -3.381 -0.095 -0.181
16 HA SER 3 HA SER 3 -2.867 -1.857 -1.502
17 1HB SER 3 2HB SER 3 -4.726 -3.401 -2.075
18 2HB SER 3 1HB SER 3 -4.749 -2.865 -0.399
19 HG SER 3 HG SER 3 -6.524 -2.335 -2.459
20 H ASP 4 H ASP 4 -3.829 0.826 -2.875
21 HA ASP 4 HA ASP 4 -4.472 -0.064 -5.546
22 1HB ASP 4 2HB ASP 4 -4.282 2.346 -6.145
23 2HB ASP 4 1HB ASP 4 -5.381 2.066 -4.802
24 H ASP 5 H ASP 5 -1.826 -0.289 -3.768
25 HA ASP 5 HA ASP 5 0.015 -0.123 -6.065
26 1HB ASP 5 2HB ASP 5 0.610 0.653 -3.195
27 2HB ASP 5 1HB ASP 5 1.811 0.561 -4.481
28 H ASP 6 H ASP 6 -0.054 -1.299 -2.701
29 HA ASP 6 HA ASP 6 0.412 -4.019 -3.565
30 1HB ASP 6 2HB ASP 6 2.270 -4.317 -1.906
31 2HB ASP 6 1HB ASP 6 2.683 -3.275 -3.260
32 H MET 7 H MET 7 0.293 -1.999 -0.671
33 HA MET 7 HA MET 7 -1.897 -3.623 0.413
34 1HB MET 7 2HB MET 7 0.584 -2.822 1.963
35 2HB MET 7 1HB MET 7 -0.861 -3.543 2.658
36 1HG MET 7 2HG MET 7 0.921 -4.857 0.614
37 2HG MET 7 1HG MET 7 0.962 -5.163 2.346
38 1HE MET 7 1HE MET 7 -1.857 -7.308 3.199
39 2HE MET 7 2HE MET 7 -2.558 -5.703 2.995
40 3HE MET 7 3HE MET 7 -0.941 -5.879 3.678
41 H GLY 8 H GLY 8 -2.308 -2.390 2.796
42 1HA GLY 8 2HA GLY 8 -3.381 0.177 1.994
43 2HA GLY 8 1HA GLY 8 -3.637 -0.630 3.534
44 H PHE 9 H PHE 9 -0.437 -0.179 2.270
45 HA PHE 9 HA PHE 9 0.287 1.502 4.508
46 1HB PHE 9 2HB PHE 9 1.884 0.044 2.398
47 2HB PHE 9 1HB PHE 9 2.610 1.049 3.639
48 HD1 PHE 9 1HD PHE 9 -0.142 -1.512 3.873
49 HD2 PHE 9 2HD PHE 9 3.781 -0.336 5.018
50 HE1 PHE 9 1HE PHE 9 -0.011 -3.440 5.393
51 HE2 PHE 9 2HE PHE 9 3.918 -2.258 6.544
52 HZ PHE 9 HZ PHE 9 2.022 -3.815 6.732
53 H GLY 10 H GLY 10 1.950 1.739 1.437
54 1HA GLY 10 2HA GLY 10 0.737 3.963 0.293
55 2HA GLY 10 1HA GLY 10 1.890 4.586 1.462
56 H LEU 11 H LEU 11 1.513 2.696 -1.479
57 HA LEU 11 HA LEU 11 2.854 2.157 -3.211
58 1HB LEU 11 2HB LEU 11 4.196 4.706 -2.327
59 2HB LEU 11 1HB LEU 11 4.581 3.885 -3.826
60 1HD1 LEU 11 1HD1 LEU 11 0.934 4.558 -2.613
61 2HD1 LEU 11 2HD1 LEU 11 1.035 6.165 -3.332
62 3HD1 LEU 11 3HD1 LEU 11 2.064 5.746 -1.962
63 1HD2 LEU 11 1HD2 LEU 11 3.599 6.782 -3.854
64 2HD2 LEU 11 2HD2 LEU 11 2.538 6.475 -5.228
65 3HD2 LEU 11 3HD2 LEU 11 4.128 5.711 -5.149
66 H PHE 12 H PHE 12 3.440 0.686 -0.971
67 HA PHE 12 HA PHE 12 6.320 0.551 -0.611
68 1HB PHE 12 2HB PHE 12 4.008 -1.003 0.565
69 2HB PHE 12 1HB PHE 12 5.688 -1.409 0.894
70 HD1 PHE 12 1HD PHE 12 4.156 1.999 0.701
71 HD2 PHE 12 2HD PHE 12 5.873 -1.008 3.146
72 HE1 PHE 12 1HE PHE 12 4.179 3.568 2.589
73 HE2 PHE 12 2HE PHE 12 5.913 0.550 5.051
74 HZ PHE 12 HZ PHE 12 5.062 2.845 4.774
75 H ASP 13 H ASP 13 7.286 -1.722 -0.625
76 HA ASP 13 HA ASP 13 8.112 -3.480 -1.793
77 1HB ASP 13 2HB ASP 13 5.875 -4.451 -1.235
78 2HB ASP 13 1HB ASP 13 5.269 -3.871 -2.779
Start of MODEL 16
1 1H GLU 1 1HT GLU 1 -7.665 2.754 3.617
2 2H GLU 1 2HT GLU 1 -6.745 2.429 5.000
3 3H GLU 1 3HT GLU 1 -8.138 1.526 4.681
4 HA GLU 1 HA GLU 1 -5.523 0.973 3.913
5 1HB GLU 1 2HB GLU 1 -7.402 -0.549 4.635
6 2HB GLU 1 1HB GLU 1 -8.122 -0.328 3.049
7 1HG GLU 1 2HG GLU 1 -6.155 -1.354 2.014
8 2HG GLU 1 1HG GLU 1 -5.432 -1.572 3.606
9 H GLU 2 H GLU 2 -4.424 1.099 2.049
10 HA GLU 2 HA GLU 2 -5.648 2.487 -0.204
11 1HB GLU 2 2HB GLU 2 -2.764 1.875 0.464
12 2HB GLU 2 1HB GLU 2 -3.267 2.657 -1.024
13 1HG GLU 2 2HG GLU 2 -2.537 4.363 0.438
14 2HG GLU 2 1HG GLU 2 -4.291 4.470 0.372
15 H SER 3 H SER 3 -3.179 -0.129 -0.093
16 HA SER 3 HA SER 3 -2.796 -1.936 -1.401
17 1HB SER 3 2HB SER 3 -4.728 -3.445 -1.803
18 2HB SER 3 1HB SER 3 -4.616 -2.867 -0.145
19 HG SER 3 HG SER 3 -6.449 -2.163 -2.153
20 H ASP 4 H ASP 4 -3.810 0.730 -2.777
21 HA ASP 4 HA ASP 4 -4.613 -0.238 -5.379
22 1HB ASP 4 2HB ASP 4 -4.495 2.168 -6.041
23 2HB ASP 4 1HB ASP 4 -5.536 1.882 -4.654
24 H ASP 5 H ASP 5 -1.871 -0.414 -3.772
25 HA ASP 5 HA ASP 5 -0.178 -0.218 -6.180
26 1HB ASP 5 2HB ASP 5 0.598 0.563 -3.355
27 2HB ASP 5 1HB ASP 5 1.706 0.495 -4.722
28 H ASP 6 H ASP 6 0.048 -1.396 -2.818
29 HA ASP 6 HA ASP 6 0.440 -4.121 -3.707
30 1HB ASP 6 2HB ASP 6 2.736 -3.101 -3.622
31 2HB ASP 6 1HB ASP 6 2.480 -2.776 -1.914
32 H MET 7 H MET 7 0.631 -2.017 -0.878
33 HA MET 7 HA MET 7 -1.248 -3.776 0.557
34 1HB MET 7 2HB MET 7 1.174 -2.366 1.697
35 2HB MET 7 1HB MET 7 -0.054 -3.182 2.645
36 1HG MET 7 2HG MET 7 1.468 -4.663 0.537
37 2HG MET 7 1HG MET 7 2.168 -4.390 2.126
38 1HE MET 7 1HE MET 7 -1.355 -7.225 1.160
39 2HE MET 7 2HE MET 7 -0.351 -6.383 -0.020
40 3HE MET 7 3HE MET 7 -1.570 -5.494 0.894
41 H GLY 8 H GLY 8 -2.047 -2.560 2.625
42 1HA GLY 8 2HA GLY 8 -3.293 -0.100 1.706
43 2HA GLY 8 1HA GLY 8 -3.678 -0.984 3.177
44 H PHE 9 H PHE 9 -0.398 -0.202 2.381
45 HA PHE 9 HA PHE 9 -0.132 1.442 4.738
46 1HB PHE 9 2HB PHE 9 1.845 0.217 2.818
47 2HB PHE 9 1HB PHE 9 2.318 1.249 4.157
48 HD1 PHE 9 1HD PHE 9 -0.216 -1.535 4.045
49 HD2 PHE 9 2HD PHE 9 3.466 -0.088 5.606
50 HE1 PHE 9 1HE PHE 9 -0.086 -3.484 5.537
51 HE2 PHE 9 2HE PHE 9 3.599 -2.031 7.105
52 HZ PHE 9 HZ PHE 9 1.822 -3.734 7.071
53 H GLY 10 H GLY 10 1.427 1.775 1.570
54 1HA GLY 10 2HA GLY 10 0.265 4.086 0.630
55 2HA GLY 10 1HA GLY 10 1.484 4.640 1.766
56 H LEU 11 H LEU 11 0.928 2.916 -1.244
57 HA LEU 11 HA LEU 11 2.171 2.453 -3.069
58 1HB LEU 11 2HB LEU 11 3.622 4.911 -2.101
59 2HB LEU 11 1HB LEU 11 3.919 4.170 -3.661
60 1HD1 LEU 11 1HD1 LEU 11 1.305 5.304 -1.505
61 2HD1 LEU 11 2HD1 LEU 11 0.045 5.279 -2.739
62 3HD1 LEU 11 3HD1 LEU 11 0.984 6.747 -2.467
63 1HD2 LEU 11 1HD2 LEU 11 3.018 7.086 -3.471
64 2HD2 LEU 11 2HD2 LEU 11 1.887 6.895 -4.810
65 3HD2 LEU 11 3HD2 LEU 11 3.455 6.086 -4.854
66 H PHE 12 H PHE 12 2.822 0.885 -0.886
67 HA PHE 12 HA PHE 12 5.706 0.630 -0.695
68 1HB PHE 12 2HB PHE 12 3.397 -0.881 0.535
69 2HB PHE 12 1HB PHE 12 5.070 -1.382 0.750
70 HD1 PHE 12 1HD PHE 12 3.711 2.105 0.797
71 HD2 PHE 12 2HD PHE 12 5.386 -1.102 3.006
72 HE1 PHE 12 1HE PHE 12 3.916 3.577 2.752
73 HE2 PHE 12 2HE PHE 12 5.609 0.357 4.974
74 HZ PHE 12 HZ PHE 12 4.871 2.703 4.850
75 H ASP 13 H ASP 13 6.577 -1.688 -0.852
76 HA ASP 13 HA ASP 13 5.685 -2.865 -3.403
77 1HB ASP 13 2HB ASP 13 7.974 -1.840 -3.377
78 2HB ASP 13 1HB ASP 13 8.442 -3.002 -2.145
Start of MODEL 17
1 1H GLU 1 1HT GLU 1 -5.263 0.254 4.040
2 2H GLU 1 2HT GLU 1 -5.628 -0.386 2.517
3 3H GLU 1 3HT GLU 1 -6.696 -0.616 3.809
4 HA GLU 1 HA GLU 1 -7.797 1.166 3.162
5 1HB GLU 1 2HB GLU 1 -6.276 2.065 4.965
6 2HB GLU 1 1HB GLU 1 -5.205 2.645 3.699
7 1HG GLU 1 2HG GLU 1 -6.984 4.108 2.865
8 2HG GLU 1 1HG GLU 1 -8.056 3.525 4.136
9 H GLU 2 H GLU 2 -4.555 1.153 1.739
10 HA GLU 2 HA GLU 2 -5.530 2.477 -0.675
11 1HB GLU 2 2HB GLU 2 -2.737 1.797 0.257
12 2HB GLU 2 1HB GLU 2 -3.088 2.501 -1.312
13 1HG GLU 2 2HG GLU 2 -2.405 4.273 0.081
14 2HG GLU 2 1HG GLU 2 -4.147 4.432 -0.102
15 H SER 3 H SER 3 -3.240 -0.248 -0.156
16 HA SER 3 HA SER 3 -2.838 -2.164 -1.290
17 1HB SER 3 2HB SER 3 -4.809 -3.577 -1.824
18 2HB SER 3 1HB SER 3 -4.853 -2.891 -0.205
19 HG SER 3 HG SER 3 -6.287 -2.020 -2.488
20 H ASP 4 H ASP 4 -3.495 0.459 -2.942
21 HA ASP 4 HA ASP 4 -4.080 -0.622 -5.555
22 1HB ASP 4 2HB ASP 4 -3.669 1.703 -6.351
23 2HB ASP 4 1HB ASP 4 -4.860 1.623 -5.062
24 H ASP 5 H ASP 5 -1.548 -0.877 -3.619
25 HA ASP 5 HA ASP 5 0.406 -1.050 -5.821
26 1HB ASP 5 2HB ASP 5 0.927 -0.062 -3.003
27 2HB ASP 5 1HB ASP 5 2.175 -0.356 -4.212
28 H ASP 6 H ASP 6 0.127 -1.912 -2.371
29 HA ASP 6 HA ASP 6 0.426 -4.725 -2.985
30 1HB ASP 6 2HB ASP 6 2.179 -5.001 -1.210
31 2HB ASP 6 1HB ASP 6 2.726 -4.121 -2.629
32 H MET 7 H MET 7 0.320 -2.469 -0.274
33 HA MET 7 HA MET 7 -1.996 -3.886 0.851
34 1HB MET 7 2HB MET 7 0.463 -3.008 2.383
35 2HB MET 7 1HB MET 7 -1.039 -3.537 3.121
36 1HG MET 7 2HG MET 7 0.401 -5.332 1.214
37 2HG MET 7 1HG MET 7 0.948 -5.189 2.878
38 1HE MET 7 1HE MET 7 -2.805 -5.475 1.249
39 2HE MET 7 2HE MET 7 -2.962 -7.219 1.469
40 3HE MET 7 3HE MET 7 -1.696 -6.573 0.424
41 H GLY 8 H GLY 8 -2.561 -2.429 3.017
42 1HA GLY 8 2HA GLY 8 -3.456 0.092 1.916
43 2HA GLY 8 1HA GLY 8 -3.860 -0.564 3.494
44 H PHE 9 H PHE 9 -0.560 -0.309 2.431
45 HA PHE 9 HA PHE 9 0.066 1.515 4.580
46 1HB PHE 9 2HB PHE 9 1.741 -0.136 2.691
47 2HB PHE 9 1HB PHE 9 2.429 0.960 3.874
48 HD1 PHE 9 1HD PHE 9 -0.401 -1.499 4.200
49 HD2 PHE 9 2HD PHE 9 3.500 -0.328 5.419
50 HE1 PHE 9 1HE PHE 9 -0.398 -3.286 5.890
51 HE2 PHE 9 2HE PHE 9 3.510 -2.109 7.114
52 HZ PHE 9 HZ PHE 9 1.560 -3.592 7.351
53 H GLY 10 H GLY 10 1.957 1.526 1.639
54 1HA GLY 10 2HA GLY 10 0.839 3.706 0.291
55 2HA GLY 10 1HA GLY 10 1.968 4.357 1.466
56 H LEU 11 H LEU 11 1.631 2.324 -1.379
57 HA LEU 11 HA LEU 11 3.017 1.635 -3.022
58 1HB LEU 11 2HB LEU 11 4.403 4.195 -2.242
59 2HB LEU 11 1HB LEU 11 4.818 3.273 -3.674
60 1HD1 LEU 11 1HD1 LEU 11 1.247 4.101 -2.506
61 2HD1 LEU 11 2HD1 LEU 11 1.222 5.557 -3.500
62 3HD1 LEU 11 3HD1 LEU 11 2.301 5.458 -2.108
63 1HD2 LEU 11 1HD2 LEU 11 3.941 6.178 -3.922
64 2HD2 LEU 11 2HD2 LEU 11 2.894 5.833 -5.299
65 3HD2 LEU 11 3HD2 LEU 11 4.450 5.013 -5.143
66 H PHE 12 H PHE 12 3.472 0.186 -0.811
67 HA PHE 12 HA PHE 12 6.330 0.021 -0.281
68 1HB PHE 12 2HB PHE 12 3.926 -1.438 0.837
69 2HB PHE 12 1HB PHE 12 5.581 -1.857 1.269
70 HD1 PHE 12 1HD PHE 12 4.026 1.536 0.878
71 HD2 PHE 12 2HD PHE 12 5.753 -1.329 3.481
72 HE1 PHE 12 1HE PHE 12 3.995 3.187 2.693
73 HE2 PHE 12 2HE PHE 12 5.737 0.311 5.314
74 HZ PHE 12 HZ PHE 12 4.854 2.577 4.922
75 H ASP 13 H ASP 13 4.622 -0.831 -2.803
76 HA ASP 13 HA ASP 13 5.550 -3.586 -3.121
77 1HB ASP 13 2HB ASP 13 3.214 -2.936 -3.767
78 2HB ASP 13 1HB ASP 13 3.888 -1.891 -5.009
Start of MODEL 18
1 1H GLU 1 1HT GLU 1 -7.924 0.998 5.319
2 2H GLU 1 2HT GLU 1 -8.205 2.064 4.037
3 3H GLU 1 3HT GLU 1 -6.789 2.199 4.952
4 HA GLU 1 HA GLU 1 -5.751 0.507 3.921
5 1HB GLU 1 2HB GLU 1 -7.555 -1.039 4.773
6 2HB GLU 1 1HB GLU 1 -8.463 -0.704 3.308
7 1HG GLU 1 2HG GLU 1 -6.660 -1.680 1.968
8 2HG GLU 1 1HG GLU 1 -5.749 -2.013 3.439
9 H GLU 2 H GLU 2 -4.856 0.930 2.015
10 HA GLU 2 HA GLU 2 -6.429 2.288 -0.045
11 1HB GLU 2 2HB GLU 2 -3.437 2.051 0.344
12 2HB GLU 2 1HB GLU 2 -4.193 2.881 -1.005
13 1HG GLU 2 2HG GLU 2 -3.557 4.546 0.534
14 2HG GLU 2 1HG GLU 2 -5.303 4.390 0.670
15 H SER 3 H SER 3 -3.706 -0.043 -0.073
16 HA SER 3 HA SER 3 -3.141 -1.778 -1.401
17 1HB SER 3 2HB SER 3 -4.923 -3.407 -1.957
18 2HB SER 3 1HB SER 3 -4.951 -2.878 -0.280
19 HG SER 3 HG SER 3 -7.003 -2.927 -1.660
20 H ASP 4 H ASP 4 -4.513 0.833 -2.765
21 HA ASP 4 HA ASP 4 -4.917 -0.181 -5.441
22 1HB ASP 4 2HB ASP 4 -5.191 2.230 -6.050
23 2HB ASP 4 1HB ASP 4 -6.277 1.704 -4.772
24 H ASP 5 H ASP 5 -2.326 0.113 -3.610
25 HA ASP 5 HA ASP 5 -0.503 0.523 -5.876
26 1HB ASP 5 2HB ASP 5 -0.163 1.796 -3.144
27 2HB ASP 5 1HB ASP 5 1.050 1.812 -4.422
28 H ASP 6 H ASP 6 -0.155 -0.050 -2.373
29 HA ASP 6 HA ASP 6 0.594 -2.798 -2.697
30 1HB ASP 6 2HB ASP 6 2.738 -1.587 -3.220
31 2HB ASP 6 1HB ASP 6 2.673 -0.858 -1.621
32 H MET 7 H MET 7 -1.216 -3.072 -1.379
33 HA MET 7 HA MET 7 -2.364 -3.440 0.548
34 1HB MET 7 2HB MET 7 0.273 -2.798 1.891
35 2HB MET 7 1HB MET 7 -1.136 -3.481 2.696
36 1HG MET 7 2HG MET 7 0.385 -4.795 0.453
37 2HG MET 7 1HG MET 7 0.576 -5.165 2.163
38 1HE MET 7 1HE MET 7 -0.609 -8.222 1.694
39 2HE MET 7 2HE MET 7 0.477 -7.270 0.681
40 3HE MET 7 3HE MET 7 -0.988 -7.970 -0.009
41 H GLY 8 H GLY 8 -2.523 -2.271 2.994
42 1HA GLY 8 2HA GLY 8 -3.597 0.339 2.366
43 2HA GLY 8 1HA GLY 8 -3.694 -0.489 3.914
44 H PHE 9 H PHE 9 -0.618 -0.215 2.410
45 HA PHE 9 HA PHE 9 0.374 1.484 4.522
46 1HB PHE 9 2HB PHE 9 1.720 -0.085 2.316
47 2HB PHE 9 1HB PHE 9 2.589 0.876 3.497
48 HD1 PHE 9 1HD PHE 9 -0.273 -1.541 3.910
49 HD2 PHE 9 2HD PHE 9 3.761 -0.556 4.826
50 HE1 PHE 9 1HE PHE 9 -0.149 -3.472 5.426
51 HE2 PHE 9 2HE PHE 9 3.891 -2.482 6.347
52 HZ PHE 9 HZ PHE 9 1.934 -3.945 6.648
53 H GLY 10 H GLY 10 2.036 1.683 1.492
54 1HA GLY 10 2HA GLY 10 0.770 3.866 0.278
55 2HA GLY 10 1HA GLY 10 1.935 4.511 1.424
56 H LEU 11 H LEU 11 1.539 2.507 -1.449
57 HA LEU 11 HA LEU 11 2.894 1.867 -3.143
58 1HB LEU 11 2HB LEU 11 4.096 4.557 -2.511
59 2HB LEU 11 1HB LEU 11 4.478 3.640 -3.955
60 1HD1 LEU 11 1HD1 LEU 11 1.548 4.548 -2.044
61 2HD1 LEU 11 2HD1 LEU 11 0.478 4.885 -3.404
62 3HD1 LEU 11 3HD1 LEU 11 1.612 6.116 -2.850
63 1HD2 LEU 11 1HD2 LEU 11 3.296 6.470 -4.229
64 2HD2 LEU 11 2HD2 LEU 11 2.245 5.927 -5.536
65 3HD2 LEU 11 3HD2 LEU 11 3.888 5.294 -5.400
66 H PHE 12 H PHE 12 3.620 0.345 -1.212
67 HA PHE 12 HA PHE 12 6.488 0.538 -0.692
68 1HB PHE 12 2HB PHE 12 4.317 -1.267 0.395
69 2HB PHE 12 1HB PHE 12 6.021 -1.470 0.788
70 HD1 PHE 12 1HD PHE 12 4.146 1.749 0.514
71 HD2 PHE 12 2HD PHE 12 6.025 -1.070 3.056
72 HE1 PHE 12 1HE PHE 12 3.913 3.311 2.391
73 HE2 PHE 12 2HE PHE 12 5.809 0.481 4.955
74 HZ PHE 12 HZ PHE 12 4.749 2.679 4.624
75 H ASP 13 H ASP 13 7.643 -1.662 -0.711
76 HA ASP 13 HA ASP 13 7.201 -2.900 -3.341
77 1HB ASP 13 2HB ASP 13 9.401 -1.778 -2.902
78 2HB ASP 13 1HB ASP 13 9.698 -2.943 -1.620
Start of MODEL 19
1 1H GLU 1 1HT GLU 1 -5.556 -0.446 2.544
2 2H GLU 1 2HT GLU 1 -6.560 -0.994 3.789
3 3H GLU 1 3HT GLU 1 -5.419 0.215 4.095
4 HA GLU 1 HA GLU 1 -8.078 0.465 3.184
5 1HB GLU 1 2HB GLU 1 -6.844 1.713 4.998
6 2HB GLU 1 1HB GLU 1 -5.953 2.554 3.741
7 1HG GLU 1 2HG GLU 1 -8.041 3.521 2.906
8 2HG GLU 1 1HG GLU 1 -8.935 2.674 4.166
9 H GLU 2 H GLU 2 -4.956 0.971 1.681
10 HA GLU 2 HA GLU 2 -6.172 2.220 -0.671
11 1HB GLU 2 2HB GLU 2 -3.273 1.888 0.132
12 2HB GLU 2 1HB GLU 2 -3.802 2.632 -1.368
13 1HG GLU 2 2HG GLU 2 -3.276 4.391 0.114
14 2HG GLU 2 1HG GLU 2 -5.031 4.329 0.016
15 H SER 3 H SER 3 -3.570 -0.194 -0.178
16 HA SER 3 HA SER 3 -2.932 -2.056 -1.282
17 1HB SER 3 2HB SER 3 -4.703 -3.675 -1.898
18 2HB SER 3 1HB SER 3 -4.897 -3.000 -0.285
19 HG SER 3 HG SER 3 -6.812 -2.438 -0.913
20 H ASP 4 H ASP 4 -4.001 0.470 -2.999
21 HA ASP 4 HA ASP 4 -4.170 -0.752 -5.614
22 1HB ASP 4 2HB ASP 4 -4.245 1.610 -6.440
23 2HB ASP 4 1HB ASP 4 -5.489 1.245 -5.254
24 H ASP 5 H ASP 5 -1.782 -0.437 -3.537
25 HA ASP 5 HA ASP 5 0.299 -0.298 -5.605
26 1HB ASP 5 2HB ASP 5 0.404 1.183 -2.959
27 2HB ASP 5 1HB ASP 5 1.751 1.035 -4.084
28 H ASP 6 H ASP 6 0.281 -0.565 -2.053
29 HA ASP 6 HA ASP 6 0.891 -3.371 -2.065
30 1HB ASP 6 2HB ASP 6 3.141 -2.299 -2.443
31 2HB ASP 6 1HB ASP 6 2.945 -1.441 -0.922
32 H MET 7 H MET 7 -1.092 -3.392 -0.957
33 HA MET 7 HA MET 7 -2.466 -3.517 0.849
34 1HB MET 7 2HB MET 7 0.054 -2.961 2.433
35 2HB MET 7 1HB MET 7 -1.483 -3.472 3.122
36 1HG MET 7 2HG MET 7 0.160 -5.073 1.168
37 2HG MET 7 1HG MET 7 0.135 -5.313 2.912
38 1HE MET 7 1HE MET 7 0.020 -7.560 1.863
39 2HE MET 7 2HE MET 7 -1.187 -8.036 0.668
40 3HE MET 7 3HE MET 7 -1.447 -8.395 2.376
41 H GLY 8 H GLY 8 -2.646 -2.091 3.232
42 1HA GLY 8 2HA GLY 8 -3.527 0.492 2.267
43 2HA GLY 8 1HA GLY 8 -3.751 -0.153 3.887
44 H PHE 9 H PHE 9 -0.604 -0.209 2.491
45 HA PHE 9 HA PHE 9 0.417 1.617 4.481
46 1HB PHE 9 2HB PHE 9 1.735 -0.223 2.475
47 2HB PHE 9 1HB PHE 9 2.624 0.794 3.594
48 HD1 PHE 9 1HD PHE 9 -0.391 -1.399 4.126
49 HD2 PHE 9 2HD PHE 9 3.670 -0.575 5.087
50 HE1 PHE 9 1HE PHE 9 -0.431 -3.185 5.817
51 HE2 PHE 9 2HE PHE 9 3.636 -2.355 6.782
52 HZ PHE 9 HZ PHE 9 1.583 -3.664 7.148
53 H GLY 10 H GLY 10 2.310 1.521 1.615
54 1HA GLY 10 2HA GLY 10 1.179 3.615 0.113
55 2HA GLY 10 1HA GLY 10 2.292 4.317 1.275
56 H LEU 11 H LEU 11 1.986 2.169 -1.485
57 HA LEU 11 HA LEU 11 3.402 1.360 -3.048
58 1HB LEU 11 2HB LEU 11 4.735 3.996 -2.456
59 2HB LEU 11 1HB LEU 11 5.164 2.984 -3.821
60 1HD1 LEU 11 1HD1 LEU 11 2.171 4.170 -2.185
61 2HD1 LEU 11 2HD1 LEU 11 1.216 4.465 -3.638
62 3HD1 LEU 11 3HD1 LEU 11 2.366 5.679 -3.077
63 1HD2 LEU 11 1HD2 LEU 11 4.187 5.866 -4.309
64 2HD2 LEU 11 2HD2 LEU 11 3.207 5.324 -5.670
65 3HD2 LEU 11 3HD2 LEU 11 4.793 4.603 -5.378
66 H PHE 12 H PHE 12 3.894 -0.120 -1.020
67 HA PHE 12 HA PHE 12 6.733 -0.098 -0.329
68 1HB PHE 12 2HB PHE 12 4.370 -1.667 0.724
69 2HB PHE 12 1HB PHE 12 6.028 -1.977 1.227
70 HD1 PHE 12 1HD PHE 12 4.330 1.323 0.693
71 HD2 PHE 12 2HD PHE 12 6.043 -1.411 3.440
72 HE1 PHE 12 1HE PHE 12 4.133 3.006 2.468
73 HE2 PHE 12 2HE PHE 12 5.858 0.261 5.237
74 HZ PHE 12 HZ PHE 12 4.900 2.477 4.752
75 H ASP 13 H ASP 13 4.995 -1.163 -2.828
76 HA ASP 13 HA ASP 13 6.241 -3.800 -3.094
77 1HB ASP 13 2HB ASP 13 3.804 -3.498 -3.603
78 2HB ASP 13 1HB ASP 13 4.249 -2.433 -4.927
Start of MODEL 20
1 1H GLU 1 1HT GLU 1 -8.095 1.437 4.982
2 2H GLU 1 2HT GLU 1 -7.958 2.599 3.761
3 3H GLU 1 3HT GLU 1 -6.632 2.256 4.754
4 HA GLU 1 HA GLU 1 -6.041 0.435 3.623
5 1HB GLU 1 2HB GLU 1 -8.187 -0.626 4.421
6 2HB GLU 1 1HB GLU 1 -8.965 -0.030 2.965
7 1HG GLU 1 2HG GLU 1 -7.453 -1.393 1.602
8 2HG GLU 1 1HG GLU 1 -6.674 -1.990 3.067
9 H GLU 2 H GLU 2 -5.048 0.665 1.731
10 HA GLU 2 HA GLU 2 -6.367 2.210 -0.401
11 1HB GLU 2 2HB GLU 2 -3.436 2.032 0.316
12 2HB GLU 2 1HB GLU 2 -4.037 2.801 -1.142
13 1HG GLU 2 2HG GLU 2 -3.607 4.525 0.411
14 2HG GLU 2 1HG GLU 2 -5.355 4.352 0.323
15 H SER 3 H SER 3 -3.585 -0.059 -0.194
16 HA SER 3 HA SER 3 -2.886 -1.773 -1.491
17 1HB SER 3 2HB SER 3 -4.588 -3.465 -2.129
18 2HB SER 3 1HB SER 3 -4.715 -2.941 -0.454
19 HG SER 3 HG SER 3 -6.279 -1.901 -2.579
20 H ASP 4 H ASP 4 -3.944 0.833 -2.877
21 HA ASP 4 HA ASP 4 -4.498 -0.036 -5.569
22 1HB ASP 4 2HB ASP 4 -4.332 2.380 -6.139
23 2HB ASP 4 1HB ASP 4 -5.442 2.078 -4.811
24 H ASP 5 H ASP 5 -1.873 -0.178 -3.720
25 HA ASP 5 HA ASP 5 0.014 0.006 -5.977
26 1HB ASP 5 2HB ASP 5 0.500 0.795 -3.090
27 2HB ASP 5 1HB ASP 5 1.754 0.711 -4.328
28 H ASP 6 H ASP 6 -0.146 -1.175 -2.621
29 HA ASP 6 HA ASP 6 0.377 -3.891 -3.448
30 1HB ASP 6 2HB ASP 6 2.221 -4.156 -1.771
31 2HB ASP 6 1HB ASP 6 2.638 -3.113 -3.124
32 H MET 7 H MET 7 0.199 -1.826 -0.596
33 HA MET 7 HA MET 7 -1.995 -3.439 0.495
34 1HB MET 7 2HB MET 7 0.464 -2.601 2.064
35 2HB MET 7 1HB MET 7 -0.982 -3.325 2.751
36 1HG MET 7 2HG MET 7 0.833 -4.652 0.746
37 2HG MET 7 1HG MET 7 0.863 -4.928 2.484
38 1HE MET 7 1HE MET 7 -1.225 -5.361 3.745
39 2HE MET 7 2HE MET 7 -1.630 -7.057 3.487
40 3HE MET 7 3HE MET 7 -2.783 -5.799 3.043
41 H GLY 8 H GLY 8 -2.373 -2.122 2.880
42 1HA GLY 8 2HA GLY 8 -3.458 0.418 1.990
43 2HA GLY 8 1HA GLY 8 -3.707 -0.335 3.558
44 H PHE 9 H PHE 9 -0.511 -0.003 2.297
45 HA PHE 9 HA PHE 9 0.226 1.814 4.430
46 1HB PHE 9 2HB PHE 9 1.825 0.121 2.501
47 2HB PHE 9 1HB PHE 9 2.544 1.168 3.710
48 HD1 PHE 9 1HD PHE 9 -0.321 -1.272 3.936
49 HD2 PHE 9 2HD PHE 9 3.559 -0.146 5.262
50 HE1 PHE 9 1HE PHE 9 -0.355 -3.101 5.578
51 HE2 PHE 9 2HE PHE 9 3.531 -1.969 6.910
52 HZ PHE 9 HZ PHE 9 1.572 -3.451 7.070
53 H GLY 10 H GLY 10 2.189 1.805 1.570
54 1HA GLY 10 2HA GLY 10 1.023 3.950 0.148
55 2HA GLY 10 1HA GLY 10 2.189 4.600 1.290
56 H LEU 11 H LEU 11 1.750 2.533 -1.511
57 HA LEU 11 HA LEU 11 3.040 2.065 -3.305
58 1HB LEU 11 2HB LEU 11 5.001 3.924 -2.000
59 2HB LEU 11 1HB LEU 11 5.302 3.160 -3.548
60 1HD1 LEU 11 1HD1 LEU 11 4.794 6.364 -2.631
61 2HD1 LEU 11 2HD1 LEU 11 4.371 6.661 -4.317
62 3HD1 LEU 11 3HD1 LEU 11 5.742 5.625 -3.922
63 1HD2 LEU 11 1HD2 LEU 11 3.992 3.510 -5.366
64 2HD2 LEU 11 2HD2 LEU 11 3.630 5.206 -5.681
65 3HD2 LEU 11 3HD2 LEU 11 2.371 4.138 -5.062
66 H PHE 12 H PHE 12 5.314 2.236 -0.585
67 HA PHE 12 HA PHE 12 7.074 0.840 -0.036
68 1HB PHE 12 2HB PHE 12 4.557 -0.752 0.424
69 2HB PHE 12 1HB PHE 12 6.125 -1.242 1.053
70 HD1 PHE 12 1HD PHE 12 4.389 2.095 0.942
71 HD2 PHE 12 2HD PHE 12 6.136 -0.958 3.300
72 HE1 PHE 12 1HE PHE 12 4.045 3.466 2.945
73 HE2 PHE 12 2HE PHE 12 5.804 0.398 5.325
74 HZ PHE 12 HZ PHE 12 4.753 2.619 5.149
75 H ASP 13 H ASP 13 5.018 -1.711 -1.335
76 HA ASP 13 HA ASP 13 7.289 -2.682 -2.935
77 1HB ASP 13 2HB ASP 13 6.385 -4.196 -1.150
78 2HB ASP 13 1HB ASP 13 4.847 -4.220 -2.000
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