Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
7750 | 1kyj RC | 5301 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ACE 0 1H ACE 0 -4.514 33.387 -28.536
2 2H ACE 0 2H ACE 0 -3.186 32.349 -28.010
3 3H ACE 0 3H ACE 0 -3.062 34.102 -27.831
4 H SER 1 H SER 1 -2.513 32.855 -25.689
5 HA SER 1 HA SER 1 -4.638 33.528 -23.864
6 1HB SER 1 1HB SER 1 -4.565 31.273 -22.734
7 2HB SER 1 2HB SER 1 -5.320 31.265 -24.334
8 H THR 2 H THR 2 -3.905 32.909 -21.530
9 HA THR 2 HA THR 2 -1.166 33.890 -21.242
10 HB THR 2 HB THR 2 -1.916 34.132 -18.799
11 1HG2 THR 2 1HG2 THR 2 -3.417 35.677 -20.902
12 2HG2 THR 2 2HG2 THR 2 -3.276 36.130 -19.204
13 3HG2 THR 2 3HG2 THR 2 -1.839 36.086 -20.228
14 H THR 3 H THR 3 -0.519 33.019 -18.736
15 HA THR 3 HA THR 3 -0.060 30.159 -19.168
16 HB THR 3 HB THR 3 1.741 30.598 -17.386
17 1HG2 THR 3 1HG2 THR 3 2.247 30.457 -19.811
18 2HG2 THR 3 2HG2 THR 3 1.992 32.199 -19.921
19 3HG2 THR 3 3HG2 THR 3 3.306 31.560 -18.930
20 H ALA 4 H ALA 4 -0.372 28.671 -17.458
21 HA ALA 4 HA ALA 4 -2.463 29.454 -15.637
22 1HB ALA 4 1HB ALA 4 -1.211 26.722 -15.781
23 2HB ALA 4 2HB ALA 4 -2.854 27.160 -15.311
24 3HB ALA 4 3HB ALA 4 -2.358 27.272 -17.000
25 H VAL 5 H VAL 5 -1.440 27.249 -13.773
26 HA VAL 5 HA VAL 5 0.851 28.536 -12.526
27 HB VAL 5 HB VAL 5 -0.401 28.410 -10.263
28 1HG1 VAL 5 1HG1 VAL 5 -1.021 30.691 -10.404
29 2HG1 VAL 5 2HG1 VAL 5 0.351 30.472 -11.491
30 3HG1 VAL 5 3HG1 VAL 5 -1.284 30.586 -12.144
31 1HG2 VAL 5 1HG2 VAL 5 -2.397 27.250 -11.124
32 2HG2 VAL 5 2HG2 VAL 5 -2.809 28.791 -10.372
33 3HG2 VAL 5 3HG2 VAL 5 -2.769 28.650 -12.129
34 H2 A2G 7 H2 A2G 7 -2.483 27.367 -23.828
35 H4 A2G 7 H4 A2G 7 -3.696 28.277 -27.646
36 H5 A2G 7 H5 A2G 7 -4.495 29.989 -26.151
37 H1 A2G 7 H1 A2G 7 -3.914 29.050 -22.849
38 H3 A2G 7 H3 A2G 7 -1.890 28.918 -26.336
39 HO4 A2G 7 HO4 A2G 7 -4.521 26.279 -25.706
40 1H6 A2G 7 1H6 A2G 7 -6.910 28.277 -25.963
41 2H6 A2G 7 2H6 A2G 7 -6.681 29.794 -26.822
42 HN2 A2G 7 HN2 A2G 7 -1.087 29.883 -24.478
43 1H8 A2G 7 1H8 A2G 7 0.751 29.605 -21.545
44 2H8 A2G 7 2H8 A2G 7 1.464 29.141 -23.101
45 3H8 A2G 7 3H8 A2G 7 0.394 30.552 -23.001
46 H2 A2G 10 H2 A2G 10 -5.093 32.226 -16.566
47 H4 A2G 10 H4 A2G 10 -7.633 34.475 -18.825
48 H5 A2G 10 H5 A2G 10 -5.393 35.156 -19.309
49 H1 A2G 10 H1 A2G 10 -3.125 33.432 -17.375
50 H3 A2G 10 H3 A2G 10 -6.525 32.498 -19.228
51 HO4 A2G 10 HO4 A2G 10 -6.968 34.446 -16.000
52 1H6 A2G 10 1H6 A2G 10 -5.564 37.052 -17.088
53 2H6 A2G 10 2H6 A2G 10 -5.752 37.339 -18.801
54 HN2 A2G 10 HN2 A2G 10 -4.338 31.320 -19.278
55 1H8 A2G 10 1H8 A2G 10 -2.834 29.111 -18.656
56 2H8 A2G 10 2H8 A2G 10 -4.064 28.040 -17.960
57 3H8 A2G 10 3H8 A2G 10 -4.426 28.971 -19.424
58 H2 A2G 13 H2 A2G 13 1.750 33.781 -14.381
59 H4 A2G 13 H4 A2G 13 3.473 35.854 -17.486
60 H5 A2G 13 H5 A2G 13 3.189 33.617 -18.172
61 H1 A2G 13 H1 A2G 13 1.783 31.716 -15.662
62 H3 A2G 13 H3 A2G 13 1.324 35.538 -16.813
63 HO4 A2G 13 HO4 A2G 13 4.444 35.037 -14.871
64 1H6 A2G 13 1H6 A2G 13 5.738 34.562 -17.745
65 2H6 A2G 13 2H6 A2G 13 5.790 33.058 -16.832
66 HN2 A2G 13 HN2 A2G 13 -0.410 33.743 -16.399
67 1H8 A2G 13 1H8 A2G 13 -2.428 34.458 -15.534
68 2H8 A2G 13 2H8 A2G 13 -2.521 32.871 -14.750
69 3H8 A2G 13 3H8 A2G 13 -2.715 34.347 -13.788
Start of MODEL 2
1 1H ACE 0 1H ACE 0 -7.693 -4.870 -35.164
2 2H ACE 0 2H ACE 0 -8.032 -4.196 -36.761
3 3H ACE 0 3H ACE 0 -8.596 -3.360 -35.311
4 H SER 1 H SER 1 -7.341 -1.837 -36.913
5 HA SER 1 HA SER 1 -4.485 -1.776 -36.506
6 1HB SER 1 1HB SER 1 -4.453 0.076 -37.978
7 2HB SER 1 2HB SER 1 -5.742 -0.959 -38.595
8 H THR 2 H THR 2 -3.337 -0.029 -35.544
9 HA THR 2 HA THR 2 -4.683 1.041 -33.171
10 HB THR 2 HB THR 2 -2.174 1.717 -32.700
11 1HG2 THR 2 1HG2 THR 2 -2.011 -1.094 -32.438
12 2HG2 THR 2 2HG2 THR 2 -2.350 0.109 -31.191
13 3HG2 THR 2 3HG2 THR 2 -3.677 -0.616 -32.099
14 H THR 3 H THR 3 -3.076 3.232 -32.633
15 HA THR 3 HA THR 3 -3.884 5.098 -34.744
16 HB THR 3 HB THR 3 -3.544 6.752 -32.769
17 1HG2 THR 3 1HG2 THR 3 -5.754 6.053 -33.608
18 2HG2 THR 3 2HG2 THR 3 -5.684 4.651 -32.538
19 3HG2 THR 3 3HG2 THR 3 -5.735 6.281 -31.858
20 H ALA 4 H ALA 4 -2.413 7.174 -34.635
21 HA ALA 4 HA ALA 4 0.374 6.607 -34.125
22 1HB ALA 4 1HB ALA 4 0.385 7.589 -36.783
23 2HB ALA 4 2HB ALA 4 0.950 6.025 -36.196
24 3HB ALA 4 3HB ALA 4 -0.718 6.215 -36.737
25 H VAL 5 H VAL 5 1.097 8.371 -33.158
26 HA VAL 5 HA VAL 5 0.589 10.991 -34.319
27 HB VAL 5 HB VAL 5 -1.249 10.719 -32.713
28 1HG1 VAL 5 1HG1 VAL 5 0.791 10.566 -30.511
29 2HG1 VAL 5 2HG1 VAL 5 -0.955 10.340 -30.408
30 3HG1 VAL 5 3HG1 VAL 5 0.045 9.135 -31.219
31 1HG2 VAL 5 1HG2 VAL 5 -0.992 12.794 -31.581
32 2HG2 VAL 5 2HG2 VAL 5 0.766 12.649 -31.568
33 3HG2 VAL 5 3HG2 VAL 5 -0.086 12.933 -33.087
34 H2 A2G 7 H2 A2G 7 -7.563 3.392 -39.155
35 H4 A2G 7 H4 A2G 7 -9.981 0.084 -39.571
36 H5 A2G 7 H5 A2G 7 -7.803 -0.576 -38.740
37 H1 A2G 7 H1 A2G 7 -5.574 2.077 -38.948
38 H3 A2G 7 H3 A2G 7 -9.437 1.458 -37.807
39 HO4 A2G 7 HO4 A2G 7 -8.656 1.849 -41.465
40 1H6 A2G 7 1H6 A2G 7 -8.819 -1.576 -41.038
41 2H6 A2G 7 2H6 A2G 7 -7.312 -0.928 -41.681
42 HN2 A2G 7 HN2 A2G 7 -7.455 2.288 -36.425
43 1H8 A2G 7 1H8 A2G 7 -8.580 4.907 -35.026
44 2H8 A2G 7 2H8 A2G 7 -7.300 3.692 -34.851
45 3H8 A2G 7 3H8 A2G 7 -6.882 5.372 -35.236
46 H2 A2G 10 H2 A2G 10 0.856 1.976 -35.709
47 H4 A2G 10 H4 A2G 10 0.816 -2.086 -35.700
48 H5 A2G 10 H5 A2G 10 -0.376 -1.364 -33.808
49 H1 A2G 10 H1 A2G 10 -0.528 2.084 -33.669
50 H3 A2G 10 H3 A2G 10 -0.646 -0.539 -36.562
51 HO4 A2G 10 HO4 A2G 10 2.873 -0.057 -35.461
52 1H6 A2G 10 1H6 A2G 10 2.492 -2.010 -33.333
53 2H6 A2G 10 2H6 A2G 10 1.697 -1.211 -31.996
54 HN2 A2G 10 HN2 A2G 10 -1.944 1.440 -36.465
55 1H8 A2G 10 1H8 A2G 10 -1.912 3.955 -38.545
56 2H8 A2G 10 2H8 A2G 10 -2.961 3.003 -37.482
57 3H8 A2G 10 3H8 A2G 10 -2.495 4.652 -37.021
58 H2 A2G 13 H2 A2G 13 -1.995 6.211 -28.667
59 H4 A2G 13 H4 A2G 13 -5.179 3.641 -28.292
60 H5 A2G 13 H5 A2G 13 -5.277 4.660 -30.433
61 H1 A2G 13 H1 A2G 13 -2.754 6.999 -30.818
62 H3 A2G 13 H3 A2G 13 -3.017 3.401 -29.009
63 HO4 A2G 13 HO4 A2G 13 -4.548 6.192 -27.058
64 1H6 A2G 13 1H6 A2G 13 -6.785 6.853 -29.086
65 2H6 A2G 13 2H6 A2G 13 -7.310 5.702 -30.296
66 HN2 A2G 13 HN2 A2G 13 -1.375 4.248 -30.770
67 1H8 A2G 13 1H8 A2G 13 1.171 4.734 -31.228
68 2H8 A2G 13 2H8 A2G 13 2.025 4.401 -29.710
69 3H8 A2G 13 3H8 A2G 13 0.823 3.250 -30.322
Start of MODEL 3
1 1H ACE 0 1H ACE 0 18.190 -25.346 -18.889
2 2H ACE 0 2H ACE 0 19.166 -23.906 -19.192
3 3H ACE 0 3H ACE 0 19.668 -25.467 -19.847
4 H SER 1 H SER 1 16.830 -23.389 -19.772
5 HA SER 1 HA SER 1 15.954 -24.210 -22.399
6 1HB SER 1 1HB SER 1 14.131 -22.546 -22.009
7 2HB SER 1 2HB SER 1 14.279 -23.719 -20.698
8 H THR 2 H THR 2 15.468 -22.619 -24.105
9 HA THR 2 HA THR 2 17.688 -20.733 -24.396
10 HB THR 2 HB THR 2 16.788 -20.625 -26.796
11 1HG2 THR 2 1HG2 THR 2 17.469 -23.410 -26.644
12 2HG2 THR 2 2HG2 THR 2 18.400 -22.063 -27.298
13 3HG2 THR 2 3HG2 THR 2 18.515 -22.464 -25.584
14 H THR 3 H THR 3 16.744 -18.933 -26.185
15 HA THR 3 HA THR 3 14.781 -17.440 -24.602
16 HB THR 3 HB THR 3 15.770 -15.517 -26.006
17 1HG2 THR 3 1HG2 THR 3 17.526 -17.026 -24.085
18 2HG2 THR 3 2HG2 THR 3 17.745 -15.342 -24.569
19 3HG2 THR 3 3HG2 THR 3 16.315 -15.816 -23.654
20 H ALA 4 H ALA 4 12.965 -16.607 -25.513
21 HA ALA 4 HA ALA 4 12.169 -17.742 -28.040
22 1HB ALA 4 1HB ALA 4 10.620 -16.102 -26.040
23 2HB ALA 4 2HB ALA 4 9.952 -16.789 -27.520
24 3HB ALA 4 3HB ALA 4 10.559 -17.850 -26.251
25 H VAL 5 H VAL 5 13.117 -16.711 -29.629
26 HA VAL 5 HA VAL 5 13.117 -13.798 -29.760
27 HB VAL 5 HB VAL 5 14.439 -14.107 -31.863
28 1HG1 VAL 5 1HG1 VAL 5 15.452 -13.802 -29.606
29 2HG1 VAL 5 2HG1 VAL 5 15.629 -15.554 -29.507
30 3HG1 VAL 5 3HG1 VAL 5 16.481 -14.649 -30.758
31 1HG2 VAL 5 1HG2 VAL 5 13.595 -16.344 -32.465
32 2HG2 VAL 5 2HG2 VAL 5 15.356 -16.307 -32.384
33 3HG2 VAL 5 3HG2 VAL 5 14.427 -17.025 -31.068
34 H2 A2G 7 H2 A2G 7 13.453 -18.961 -19.614
35 H4 A2G 7 H4 A2G 7 14.575 -21.117 -16.322
36 H5 A2G 7 H5 A2G 7 14.532 -22.604 -18.200
37 H1 A2G 7 H1 A2G 7 13.260 -20.930 -20.994
38 H3 A2G 7 H3 A2G 7 15.732 -19.982 -17.934
39 HO4 A2G 7 HO4 A2G 7 12.010 -20.052 -17.196
40 1H6 A2G 7 1H6 A2G 7 12.965 -24.100 -17.384
41 2H6 A2G 7 2H6 A2G 7 12.833 -22.918 -16.092
42 HN2 A2G 7 HN2 A2G 7 16.133 -19.857 -20.451
43 1H8 A2G 7 1H8 A2G 7 16.581 -16.620 -21.878
44 2H8 A2G 7 2H8 A2G 7 17.525 -17.686 -20.825
45 3H8 A2G 7 3H8 A2G 7 16.781 -18.328 -22.299
46 H2 A2G 10 H2 A2G 10 12.808 -21.398 -28.225
47 H4 A2G 10 H4 A2G 10 13.674 -25.339 -27.722
48 H5 A2G 10 H5 A2G 10 15.680 -24.117 -27.436
49 H1 A2G 10 H1 A2G 10 15.138 -20.724 -27.847
50 H3 A2G 10 H3 A2G 10 13.059 -23.691 -26.252
51 HO4 A2G 10 HO4 A2G 10 12.979 -23.720 -30.029
52 1H6 A2G 10 1H6 A2G 10 16.012 -24.208 -30.380
53 2H6 A2G 10 2H6 A2G 10 16.894 -25.055 -29.128
54 HN2 A2G 10 HN2 A2G 10 13.464 -21.418 -25.344
55 1H8 A2G 10 1H8 A2G 10 11.880 -20.413 -24.079
56 2H8 A2G 10 2H8 A2G 10 12.423 -18.838 -24.683
57 3H8 A2G 10 3H8 A2G 10 10.715 -19.297 -24.812
58 H2 A2G 13 H2 A2G 13 18.576 -15.448 -29.408
59 H4 A2G 13 H4 A2G 13 21.293 -16.863 -26.660
60 H5 A2G 13 H5 A2G 13 19.184 -16.561 -25.579
61 H1 A2G 13 H1 A2G 13 16.915 -15.042 -27.721
62 H3 A2G 13 H3 A2G 13 19.824 -17.848 -28.112
63 HO4 A2G 13 HO4 A2G 13 20.956 -14.251 -27.896
64 1H6 A2G 13 1H6 A2G 13 19.681 -14.884 -24.014
65 2H6 A2G 13 2H6 A2G 13 21.266 -15.294 -24.641
66 HN2 A2G 13 HN2 A2G 13 17.339 -17.997 -28.609
67 1H8 A2G 13 1H8 A2G 13 16.326 -18.398 -31.990
68 2H8 A2G 13 2H8 A2G 13 17.262 -19.438 -30.901
69 3H8 A2G 13 3H8 A2G 13 15.798 -18.630 -30.312
Start of MODEL 4
1 1H ACE 0 1H ACE 0 33.092 36.818 -22.710
2 2H ACE 0 2H ACE 0 33.127 38.297 -21.744
3 3H ACE 0 3H ACE 0 32.022 36.987 -21.315
4 H SER 1 H SER 1 33.449 37.857 -19.372
5 HA SER 1 HA SER 1 35.973 36.490 -19.082
6 1HB SER 1 1HB SER 1 35.966 37.474 -16.811
7 2HB SER 1 2HB SER 1 35.645 38.685 -18.052
8 H THR 2 H THR 2 35.820 35.698 -16.371
9 HA THR 2 HA THR 2 34.355 33.192 -16.682
10 HB THR 2 HB THR 2 35.673 32.569 -14.592
11 1HG2 THR 2 1HG2 THR 2 36.438 32.445 -17.203
12 2HG2 THR 2 2HG2 THR 2 37.787 33.306 -16.459
13 3HG2 THR 2 3HG2 THR 2 37.304 31.723 -15.847
14 H THR 3 H THR 3 33.955 32.399 -14.129
15 HA THR 3 HA THR 3 31.827 34.192 -13.209
16 HB THR 3 HB THR 3 31.101 32.047 -11.992
17 1HG2 THR 3 1HG2 THR 3 30.015 32.797 -14.068
18 2HG2 THR 3 2HG2 THR 3 31.234 31.919 -14.995
19 3HG2 THR 3 3HG2 THR 3 30.112 31.038 -13.955
20 H ALA 4 H ALA 4 31.584 34.629 -10.969
21 HA ALA 4 HA ALA 4 34.097 34.695 -9.562
22 1HB ALA 4 1HB ALA 4 32.410 36.621 -9.735
23 2HB ALA 4 2HB ALA 4 31.472 35.743 -8.527
24 3HB ALA 4 3HB ALA 4 33.103 36.296 -8.148
25 H VAL 5 H VAL 5 32.490 34.714 -6.970
26 HA VAL 5 HA VAL 5 31.772 31.913 -6.673
27 HB VAL 5 HB VAL 5 33.244 31.826 -4.548
28 1HG1 VAL 5 1HG1 VAL 5 35.006 30.779 -5.728
29 2HG1 VAL 5 2HG1 VAL 5 33.544 30.530 -6.685
30 3HG1 VAL 5 3HG1 VAL 5 34.719 31.755 -7.168
31 1HG2 VAL 5 1HG2 VAL 5 35.294 33.139 -4.621
32 2HG2 VAL 5 2HG2 VAL 5 34.758 33.934 -6.101
33 3HG2 VAL 5 3HG2 VAL 5 33.894 34.210 -4.588
34 H2 A2G 7 H2 A2G 7 32.890 39.387 -14.082
35 H4 A2G 7 H4 A2G 7 32.582 42.075 -17.169
36 H5 A2G 7 H5 A2G 7 34.027 40.234 -17.844
37 H1 A2G 7 H1 A2G 7 34.794 38.300 -15.031
38 H3 A2G 7 H3 A2G 7 31.508 40.098 -16.654
39 HO4 A2G 7 HO4 A2G 7 34.056 42.103 -14.656
40 1H6 A2G 7 1H6 A2G 7 35.911 41.516 -18.367
41 2H6 A2G 7 2H6 A2G 7 34.809 42.793 -17.870
42 HN2 A2G 7 HN2 A2G 7 31.960 37.611 -16.240
43 1H8 A2G 7 1H8 A2G 7 29.334 36.710 -14.821
44 2H8 A2G 7 2H8 A2G 7 30.736 35.981 -15.627
45 3H8 A2G 7 3H8 A2G 7 30.442 35.672 -13.905
46 H2 A2G 10 H2 A2G 10 37.120 35.040 -11.406
47 H4 A2G 10 H4 A2G 10 40.170 36.047 -13.933
48 H5 A2G 10 H5 A2G 10 38.892 34.339 -14.971
49 H1 A2G 10 H1 A2G 10 36.322 33.288 -12.899
50 H3 A2G 10 H3 A2G 10 38.015 36.810 -13.706
51 HO4 A2G 10 HO4 A2G 10 40.033 34.692 -11.366
52 1H6 A2G 10 1H6 A2G 10 41.445 33.841 -14.252
53 2H6 A2G 10 2H6 A2G 10 40.680 32.521 -13.378
54 HN2 A2G 10 HN2 A2G 10 35.596 36.212 -13.649
55 1H8 A2G 10 1H8 A2G 10 33.532 37.786 -11.275
56 2H8 A2G 10 2H8 A2G 10 34.074 37.750 -12.963
57 3H8 A2G 10 3H8 A2G 10 33.064 36.439 -12.328
58 H2 A2G 13 H2 A2G 13 33.636 28.692 -10.828
59 H4 A2G 13 H4 A2G 13 32.932 27.511 -14.687
60 H5 A2G 13 H5 A2G 13 31.612 29.433 -14.279
61 H1 A2G 13 H1 A2G 13 32.057 30.538 -11.025
62 H3 A2G 13 H3 A2G 13 34.517 28.853 -13.710
63 HO4 A2G 13 HO4 A2G 13 32.108 26.413 -12.132
64 1H6 A2G 13 1H6 A2G 13 29.315 28.553 -13.956
65 2H6 A2G 13 2H6 A2G 13 30.248 27.507 -15.017
66 HN2 A2G 13 HN2 A2G 13 34.773 30.975 -12.318
67 1H8 A2G 13 1H8 A2G 13 37.568 30.908 -10.192
68 2H8 A2G 13 2H8 A2G 13 36.892 31.498 -11.719
69 3H8 A2G 13 3H8 A2G 13 36.278 32.122 -10.179
Start of MODEL 5
1 1H ACE 0 1H ACE 0 36.265 45.857 -7.411
2 2H ACE 0 2H ACE 0 35.275 44.791 -6.409
3 3H ACE 0 3H ACE 0 34.713 46.422 -6.787
4 H SER 1 H SER 1 33.932 46.908 -8.758
5 HA SER 1 HA SER 1 33.748 44.953 -10.877
6 1HB SER 1 1HB SER 1 31.403 44.636 -10.850
7 2HB SER 1 2HB SER 1 31.883 44.455 -9.163
8 H THR 2 H THR 2 32.985 45.830 -12.826
9 HA THR 2 HA THR 2 33.062 48.760 -12.901
10 HB THR 2 HB THR 2 33.348 48.353 -15.412
11 1HG2 THR 2 1HG2 THR 2 35.327 48.970 -14.433
12 2HG2 THR 2 2HG2 THR 2 35.356 47.575 -13.355
13 3HG2 THR 2 3HG2 THR 2 35.725 47.373 -15.068
14 H THR 3 H THR 3 31.811 49.217 -15.329
15 HA THR 3 HA THR 3 28.999 48.785 -14.633
16 HB THR 3 HB THR 3 28.780 50.686 -16.406
17 1HG2 THR 3 1HG2 THR 3 28.531 51.046 -13.970
18 2HG2 THR 3 2HG2 THR 3 30.276 51.298 -13.872
19 3HG2 THR 3 3HG2 THR 3 29.275 52.411 -14.808
20 H ALA 4 H ALA 4 27.589 48.949 -16.763
21 HA ALA 4 HA ALA 4 28.737 47.561 -19.018
22 1HB ALA 4 1HB ALA 4 27.910 45.510 -18.670
23 2HB ALA 4 2HB ALA 4 27.598 46.018 -17.010
24 3HB ALA 4 3HB ALA 4 26.326 46.143 -18.225
25 H VAL 5 H VAL 5 28.003 48.670 -20.698
26 HA VAL 5 HA VAL 5 25.152 49.232 -20.952
27 HB VAL 5 HB VAL 5 27.226 51.422 -21.267
28 1HG1 VAL 5 1HG1 VAL 5 25.182 52.872 -21.481
29 2HG1 VAL 5 2HG1 VAL 5 25.484 51.783 -22.835
30 3HG1 VAL 5 3HG1 VAL 5 24.240 51.391 -21.647
31 1HG2 VAL 5 1HG2 VAL 5 26.006 52.481 -19.348
32 2HG2 VAL 5 2HG2 VAL 5 25.155 50.953 -19.119
33 3HG2 VAL 5 3HG2 VAL 5 26.906 51.027 -18.923
34 H2 A2G 7 H2 A2G 7 28.056 46.918 -8.233
35 H4 A2G 7 H4 A2G 7 31.215 47.735 -5.760
36 H5 A2G 7 H5 A2G 7 31.979 46.344 -7.603
37 H1 A2G 7 H1 A2G 7 29.223 45.171 -9.392
38 H3 A2G 7 H3 A2G 7 30.462 48.660 -7.735
39 HO4 A2G 7 HO4 A2G 7 28.964 45.912 -5.526
40 1H6 A2G 7 1H6 A2G 7 31.923 43.987 -6.228
41 2H6 A2G 7 2H6 A2G 7 33.009 45.302 -5.830
42 HN2 A2G 7 HN2 A2G 7 29.921 48.124 -10.175
43 1H8 A2G 7 1H8 A2G 7 29.143 49.614 -11.483
44 2H8 A2G 7 2H8 A2G 7 27.647 48.926 -12.140
45 3H8 A2G 7 3H8 A2G 7 27.585 50.390 -11.142
46 H2 A2G 10 H2 A2G 10 31.904 44.997 -17.678
47 H4 A2G 10 H4 A2G 10 35.236 43.111 -16.347
48 H5 A2G 10 H5 A2G 10 35.461 45.394 -15.780
49 H1 A2G 10 H1 A2G 10 32.641 47.162 -16.781
50 H3 A2G 10 H3 A2G 10 33.209 43.529 -15.355
51 HO4 A2G 10 HO4 A2G 10 34.247 43.825 -18.983
52 1H6 A2G 10 1H6 A2G 10 36.447 45.914 -18.523
53 2H6 A2G 10 2H6 A2G 10 37.323 45.873 -17.012
54 HN2 A2G 10 HN2 A2G 10 31.418 45.223 -14.774
55 1H8 A2G 10 1H8 A2G 10 29.396 44.883 -14.132
56 2H8 A2G 10 2H8 A2G 10 28.433 45.972 -15.152
57 3H8 A2G 10 3H8 A2G 10 28.189 44.216 -15.249
58 H2 A2G 13 H2 A2G 13 31.793 51.422 -19.476
59 H4 A2G 13 H4 A2G 13 33.756 53.234 -16.414
60 H5 A2G 13 H5 A2G 13 31.547 52.888 -15.733
61 H1 A2G 13 H1 A2G 13 29.747 51.153 -18.102
62 H3 A2G 13 H3 A2G 13 33.477 51.033 -16.965
63 HO4 A2G 13 HO4 A2G 13 33.117 53.995 -19.128
64 1H6 A2G 13 1H6 A2G 13 32.163 55.339 -15.804
65 2H6 A2G 13 2H6 A2G 13 31.303 55.478 -17.328
66 HN2 A2G 13 HN2 A2G 13 31.889 49.107 -17.655
67 1H8 A2G 13 1H8 A2G 13 32.382 47.105 -20.599
68 2H8 A2G 13 2H8 A2G 13 33.132 47.235 -19.001
69 3H8 A2G 13 3H8 A2G 13 31.370 47.130 -19.146
Start of MODEL 6
1 1H ACE 0 1H ACE 0 18.963 -45.666 14.370
2 2H ACE 0 2H ACE 0 19.266 -46.625 12.918
3 3H ACE 0 3H ACE 0 18.423 -47.345 14.293
4 H SER 1 H SER 1 16.460 -46.200 14.980
5 HA SER 1 HA SER 1 14.973 -44.727 13.000
6 1HB SER 1 1HB SER 1 13.223 -46.361 12.666
7 2HB SER 1 2HB SER 1 14.765 -47.124 12.271
8 H THR 2 H THR 2 12.521 -44.699 13.824
9 HA THR 2 HA THR 2 12.680 -43.822 16.612
10 HB THR 2 HB THR 2 10.346 -42.879 16.004
11 1HG2 THR 2 1HG2 THR 2 11.561 -41.028 15.919
12 2HG2 THR 2 2HG2 THR 2 12.964 -41.892 15.287
13 3HG2 THR 2 3HG2 THR 2 11.713 -41.313 14.183
14 H THR 3 H THR 3 9.986 -44.011 17.316
15 HA THR 3 HA THR 3 9.706 -46.896 17.716
16 HB THR 3 HB THR 3 8.064 -46.066 19.511
17 1HG2 THR 3 1HG2 THR 3 10.308 -46.827 20.116
18 2HG2 THR 3 2HG2 THR 3 10.944 -45.220 19.762
19 3HG2 THR 3 3HG2 THR 3 9.811 -45.445 21.094
20 H ALA 4 H ALA 4 7.823 -47.978 17.186
21 HA ALA 4 HA ALA 4 6.143 -46.651 15.258
22 1HB ALA 4 1HB ALA 4 5.859 -49.502 16.188
23 2HB ALA 4 2HB ALA 4 5.398 -48.800 14.636
24 3HB ALA 4 3HB ALA 4 7.102 -49.015 15.037
25 H VAL 5 H VAL 5 3.927 -48.588 16.052
26 HA VAL 5 HA VAL 5 2.612 -46.757 17.900
27 HB VAL 5 HB VAL 5 0.542 -48.053 17.372
28 1HG1 VAL 5 1HG1 VAL 5 1.155 -46.026 16.133
29 2HG1 VAL 5 2HG1 VAL 5 2.014 -47.017 14.953
30 3HG1 VAL 5 3HG1 VAL 5 0.266 -47.173 15.132
31 1HG2 VAL 5 1HG2 VAL 5 2.276 -49.457 15.329
32 2HG2 VAL 5 2HG2 VAL 5 1.669 -50.195 16.812
33 3HG2 VAL 5 3HG2 VAL 5 0.542 -49.667 15.564
34 H2 A2G 7 H2 A2G 7 12.953 -50.833 14.384
35 H4 A2G 7 H4 A2G 7 17.044 -50.427 14.815
36 H5 A2G 7 H5 A2G 7 16.069 -48.395 13.905
37 H1 A2G 7 H1 A2G 7 12.806 -48.979 12.892
38 H3 A2G 7 H3 A2G 7 15.211 -49.850 16.096
39 HO4 A2G 7 HO4 A2G 7 15.346 -51.978 13.030
40 1H6 A2G 7 1H6 A2G 7 18.083 -48.825 12.755
41 2H6 A2G 7 2H6 A2G 7 17.465 -50.226 11.917
42 HN2 A2G 7 HN2 A2G 7 13.109 -48.380 15.997
43 1H8 A2G 7 1H8 A2G 7 10.888 -49.790 18.269
44 2H8 A2G 7 2H8 A2G 7 11.878 -48.389 17.823
45 3H8 A2G 7 3H8 A2G 7 10.297 -48.637 17.059
46 H2 A2G 10 H2 A2G 10 7.792 -44.809 13.120
47 H4 A2G 10 H4 A2G 10 9.620 -42.362 10.442
48 H5 A2G 10 H5 A2G 10 10.366 -41.730 12.597
49 H1 A2G 10 H1 A2G 10 8.860 -43.693 15.024
50 H3 A2G 10 H3 A2G 10 10.233 -44.372 11.368
51 HO4 A2G 10 HO4 A2G 10 6.908 -42.521 11.469
52 1H6 A2G 10 1H6 A2G 10 9.074 -39.667 13.105
53 2H6 A2G 10 2H6 A2G 10 9.393 -39.836 11.383
54 HN2 A2G 10 HN2 A2G 10 10.594 -45.699 13.439
55 1H8 A2G 10 1H8 A2G 10 9.686 -48.419 14.885
56 2H8 A2G 10 2H8 A2G 10 9.707 -48.889 13.176
57 3H8 A2G 10 3H8 A2G 10 10.915 -47.749 13.796
58 H2 A2G 13 H2 A2G 13 5.938 -42.250 19.636
59 H4 A2G 13 H4 A2G 13 9.457 -41.001 21.316
60 H5 A2G 13 H5 A2G 13 9.591 -43.353 20.993
61 H1 A2G 13 H1 A2G 13 6.682 -44.570 19.611
62 H3 A2G 13 H3 A2G 13 8.683 -41.108 19.170
63 HO4 A2G 13 HO4 A2G 13 6.787 -41.315 22.409
64 1H6 A2G 13 1H6 A2G 13 8.362 -43.951 23.518
65 2H6 A2G 13 2H6 A2G 13 10.071 -43.783 23.155
66 HN2 A2G 13 HN2 A2G 13 7.821 -42.773 17.428
67 1H8 A2G 13 1H8 A2G 13 5.539 -41.194 15.232
68 2H8 A2G 13 2H8 A2G 13 7.227 -41.678 15.474
69 3H8 A2G 13 3H8 A2G 13 5.964 -42.914 15.325
Start of MODEL 7
1 1H ACE 0 1H ACE 0 10.246 -20.540 3.760
2 2H ACE 0 2H ACE 0 10.469 -21.660 5.108
3 3H ACE 0 3H ACE 0 9.735 -22.224 3.604
4 H SER 1 H SER 1 11.634 -20.476 2.138
5 HA SER 1 HA SER 1 13.727 -22.426 1.783
6 1HB SER 1 1HB SER 1 14.314 -21.245 -0.174
7 2HB SER 1 2HB SER 1 12.562 -21.072 -0.070
8 H THR 2 H THR 2 15.934 -22.074 1.947
9 HA THR 2 HA THR 2 16.686 -20.073 3.954
10 HB THR 2 HB THR 2 18.865 -21.501 3.931
11 1HG2 THR 2 1HG2 THR 2 18.075 -22.311 5.825
12 2HG2 THR 2 2HG2 THR 2 16.457 -21.787 5.357
13 3HG2 THR 2 3HG2 THR 2 17.012 -23.410 4.944
14 H THR 3 H THR 3 19.452 -19.964 3.374
15 HA THR 3 HA THR 3 19.421 -18.276 0.994
16 HB THR 3 HB THR 3 21.689 -17.560 2.049
17 1HG2 THR 3 1HG2 THR 3 20.626 -16.004 3.555
18 2HG2 THR 3 2HG2 THR 3 19.652 -16.165 2.094
19 3HG2 THR 3 3HG2 THR 3 19.160 -16.988 3.577
20 H ALA 4 H ALA 4 20.796 -18.598 -0.685
21 HA ALA 4 HA ALA 4 22.007 -21.200 -0.858
22 1HB ALA 4 1HB ALA 4 21.731 -19.034 -2.939
23 2HB ALA 4 2HB ALA 4 22.382 -20.649 -3.223
24 3HB ALA 4 3HB ALA 4 20.695 -20.448 -2.749
25 H VAL 5 H VAL 5 23.820 -21.301 0.193
26 HA VAL 5 HA VAL 5 25.834 -19.203 -0.016
27 HB VAL 5 HB VAL 5 25.886 -21.770 1.594
28 1HG1 VAL 5 1HG1 VAL 5 27.700 -20.540 2.855
29 2HG1 VAL 5 2HG1 VAL 5 28.127 -21.104 1.240
30 3HG1 VAL 5 3HG1 VAL 5 27.744 -19.403 1.508
31 1HG2 VAL 5 1HG2 VAL 5 25.483 -20.239 3.522
32 2HG2 VAL 5 2HG2 VAL 5 25.213 -18.929 2.372
33 3HG2 VAL 5 3HG2 VAL 5 24.132 -20.323 2.392
34 H2 A2G 7 H2 A2G 7 13.966 -16.713 -1.381
35 H4 A2G 7 H4 A2G 7 10.112 -17.236 0.041
36 H5 A2G 7 H5 A2G 7 11.413 -19.268 0.338
37 H1 A2G 7 H1 A2G 7 14.384 -19.067 -1.434
38 H3 A2G 7 H3 A2G 7 12.126 -16.678 1.004
39 HO4 A2G 7 HO4 A2G 7 11.237 -17.016 -2.634
40 1H6 A2G 7 1H6 A2G 7 9.096 -19.210 -1.083
41 2H6 A2G 7 2H6 A2G 7 10.151 -19.918 -2.297
42 HN2 A2G 7 HN2 A2G 7 14.264 -17.357 1.491
43 1H8 A2G 7 1H8 A2G 7 16.888 -15.391 1.711
44 2H8 A2G 7 2H8 A2G 7 16.058 -16.782 2.432
45 3H8 A2G 7 3H8 A2G 7 17.507 -17.028 1.439
46 H2 A2G 10 H2 A2G 10 20.244 -23.997 0.726
47 H4 A2G 10 H4 A2G 10 17.651 -26.781 2.217
48 H5 A2G 10 H5 A2G 10 17.701 -24.957 3.716
49 H1 A2G 10 H1 A2G 10 19.915 -22.522 2.642
50 H3 A2G 10 H3 A2G 10 17.374 -24.981 0.810
51 HO4 A2G 10 HO4 A2G 10 20.514 -26.715 1.763
52 1H6 A2G 10 1H6 A2G 10 18.379 -27.224 4.693
53 2H6 A2G 10 2H6 A2G 10 20.042 -26.662 4.666
54 HN2 A2G 10 HN2 A2G 10 17.686 -22.541 0.482
55 1H8 A2G 10 1H8 A2G 10 18.840 -20.402 -1.419
56 2H8 A2G 10 2H8 A2G 10 18.535 -21.602 -2.688
57 3H8 A2G 10 3H8 A2G 10 17.404 -21.438 -1.333
58 H2 A2G 13 H2 A2G 13 24.005 -19.589 5.193
59 H4 A2G 13 H4 A2G 13 21.152 -17.914 7.609
60 H5 A2G 13 H5 A2G 13 20.793 -17.135 5.405
61 H1 A2G 13 H1 A2G 13 23.164 -18.405 3.231
62 H3 A2G 13 H3 A2G 13 21.265 -19.872 6.434
63 HO4 A2G 13 HO4 A2G 13 24.021 -17.541 7.364
64 1H6 A2G 13 1H6 A2G 13 22.822 -15.039 6.116
65 2H6 A2G 13 2H6 A2G 13 21.147 -14.870 5.637
66 HN2 A2G 13 HN2 A2G 13 21.587 -20.861 4.087
67 1H8 A2G 13 1H8 A2G 13 22.451 -22.851 2.812
68 2H8 A2G 13 2H8 A2G 13 23.496 -23.870 3.819
69 3H8 A2G 13 3H8 A2G 13 21.888 -23.406 4.398
Start of MODEL 8
1 1H ACE 0 1H ACE 0 6.187 -10.935 -44.982
2 2H ACE 0 2H ACE 0 5.505 -12.218 -45.986
3 3H ACE 0 3H ACE 0 6.092 -12.585 -44.361
4 H SER 1 H SER 1 5.094 -11.274 -42.627
5 HA SER 1 HA SER 1 2.376 -10.378 -43.011
6 1HB SER 1 1HB SER 1 1.320 -12.042 -41.634
7 2HB SER 1 2HB SER 1 2.255 -12.907 -42.859
8 H THR 2 H THR 2 1.432 -9.514 -41.034
9 HA THR 2 HA THR 2 3.492 -8.477 -39.227
10 HB THR 2 HB THR 2 1.446 -7.032 -38.467
11 1HG2 THR 2 1HG2 THR 2 2.148 -5.356 -39.766
12 2HG2 THR 2 2HG2 THR 2 3.435 -6.487 -40.181
13 3HG2 THR 2 3HG2 THR 2 2.039 -6.307 -41.247
14 H THR 3 H THR 3 1.991 -7.867 -37.022
15 HA THR 3 HA THR 3 1.488 -10.502 -35.859
16 HB THR 3 HB THR 3 1.679 -9.080 -33.702
17 1HG2 THR 3 1HG2 THR 3 3.940 -9.522 -35.607
18 2HG2 THR 3 2HG2 THR 3 4.205 -8.719 -34.058
19 3HG2 THR 3 3HG2 THR 3 3.574 -10.368 -34.101
20 H ALA 4 H ALA 4 -0.174 -10.277 -33.943
21 HA ALA 4 HA ALA 4 -2.353 -8.464 -34.471
22 1HB ALA 4 1HB ALA 4 -2.382 -11.033 -35.658
23 2HB ALA 4 2HB ALA 4 -3.568 -11.051 -34.353
24 3HB ALA 4 3HB ALA 4 -3.675 -9.836 -35.626
25 H VAL 5 H VAL 5 -2.960 -7.772 -32.537
26 HA VAL 5 HA VAL 5 -2.498 -9.429 -30.182
27 HB VAL 5 HB VAL 5 -3.140 -7.379 -28.897
28 1HG1 VAL 5 1HG1 VAL 5 -1.102 -6.105 -29.454
29 2HG1 VAL 5 2HG1 VAL 5 -0.814 -7.841 -29.332
30 3HG1 VAL 5 3HG1 VAL 5 -0.922 -7.073 -30.916
31 1HG2 VAL 5 1HG2 VAL 5 -3.391 -5.259 -30.023
32 2HG2 VAL 5 2HG2 VAL 5 -3.121 -6.013 -31.595
33 3HG2 VAL 5 3HG2 VAL 5 -4.579 -6.386 -30.676
34 H2 A2G 7 H2 A2G 7 3.211 -15.695 -39.234
35 H4 A2G 7 H4 A2G 7 6.102 -15.622 -42.136
36 H5 A2G 7 H5 A2G 7 4.488 -13.808 -42.492
37 H1 A2G 7 H1 A2G 7 1.692 -14.352 -40.498
38 H3 A2G 7 H3 A2G 7 5.751 -14.413 -40.196
39 HO4 A2G 7 HO4 A2G 7 3.782 -17.329 -41.693
40 1H6 A2G 7 1H6 A2G 7 3.484 -14.581 -44.649
41 2H6 A2G 7 2H6 A2G 7 5.158 -15.044 -44.497
42 HN2 A2G 7 HN2 A2G 7 4.088 -12.898 -38.996
43 1H8 A2G 7 1H8 A2G 7 3.477 -12.108 -36.860
44 2H8 A2G 7 2H8 A2G 7 3.586 -13.233 -35.494
45 3H8 A2G 7 3H8 A2G 7 5.046 -12.796 -36.401
46 H2 A2G 10 H2 A2G 10 -2.714 -7.762 -39.064
47 H4 A2G 10 H4 A2G 10 -2.037 -6.843 -42.976
48 H5 A2G 10 H5 A2G 10 -0.106 -6.285 -41.743
49 H1 A2G 10 H1 A2G 10 -0.487 -6.981 -38.390
50 H3 A2G 10 H3 A2G 10 -1.616 -8.733 -41.736
51 HO4 A2G 10 HO4 A2G 10 -3.830 -5.843 -40.926
52 1H6 A2G 10 1H6 A2G 10 -1.822 -3.765 -41.511
53 2H6 A2G 10 2H6 A2G 10 -0.086 -3.856 -41.678
54 HN2 A2G 10 HN2 A2G 10 -0.639 -9.768 -39.695
55 1H8 A2G 10 1H8 A2G 10 -0.971 -11.735 -38.859
56 2H8 A2G 10 2H8 A2G 10 -1.064 -11.366 -37.125
57 3H8 A2G 10 3H8 A2G 10 -2.446 -12.114 -37.950
58 H2 A2G 13 H2 A2G 13 0.848 -4.876 -33.321
59 H4 A2G 13 H4 A2G 13 4.404 -4.323 -35.220
60 H5 A2G 13 H5 A2G 13 4.303 -6.595 -34.591
61 H1 A2G 13 H1 A2G 13 1.273 -7.278 -33.022
62 H3 A2G 13 H3 A2G 13 2.332 -4.911 -35.979
63 HO4 A2G 13 HO4 A2G 13 3.417 -3.562 -32.594
64 1H6 A2G 13 1H6 A2G 13 5.890 -6.768 -32.844
65 2H6 A2G 13 2H6 A2G 13 6.161 -5.152 -33.478
66 HN2 A2G 13 HN2 A2G 13 0.314 -6.443 -35.769
67 1H8 A2G 13 1H8 A2G 13 -1.654 -5.789 -36.804
68 2H8 A2G 13 2H8 A2G 13 -2.478 -6.679 -35.510
69 3H8 A2G 13 3H8 A2G 13 -2.916 -4.994 -35.845
Start of MODEL 9
1 1H ACE 0 1H ACE 0 -15.171 -5.485 -35.798
2 2H ACE 0 2H ACE 0 -15.010 -6.483 -37.245
3 3H ACE 0 3H ACE 0 -14.415 -4.820 -37.253
4 H SER 1 H SER 1 -13.026 -4.460 -35.173
5 HA SER 1 HA SER 1 -10.676 -6.091 -35.520
6 1HB SER 1 1HB SER 1 -9.548 -4.459 -34.152
7 2HB SER 1 2HB SER 1 -10.607 -3.588 -35.265
8 H THR 2 H THR 2 -9.579 -7.228 -33.925
9 HA THR 2 HA THR 2 -11.319 -8.321 -31.841
10 HB THR 2 HB THR 2 -9.171 -9.896 -31.672
11 1HG2 THR 2 1HG2 THR 2 -11.632 -10.256 -32.705
12 2HG2 THR 2 2HG2 THR 2 -10.640 -10.464 -34.150
13 3HG2 THR 2 3HG2 THR 2 -10.360 -11.477 -32.733
14 H THR 3 H THR 3 -9.475 -9.262 -30.039
15 HA THR 3 HA THR 3 -8.551 -6.793 -28.774
16 HB THR 3 HB THR 3 -8.521 -8.361 -26.731
17 1HG2 THR 3 1HG2 THR 3 -11.091 -8.514 -26.686
18 2HG2 THR 3 2HG2 THR 3 -10.344 -6.917 -26.734
19 3HG2 THR 3 3HG2 THR 3 -11.014 -7.625 -28.207
20 H ALA 4 H ALA 4 -6.465 -6.763 -27.762
21 HA ALA 4 HA ALA 4 -4.677 -8.969 -28.237
22 1HB ALA 4 1HB ALA 4 -4.578 -6.488 -29.867
23 2HB ALA 4 2HB ALA 4 -3.042 -7.181 -29.345
24 3HB ALA 4 3HB ALA 4 -4.167 -8.146 -30.301
25 H VAL 5 H VAL 5 -3.551 -9.157 -26.414
26 HA VAL 5 HA VAL 5 -2.339 -6.808 -25.196
27 HB VAL 5 HB VAL 5 -3.113 -7.704 -22.889
28 1HG1 VAL 5 1HG1 VAL 5 -4.948 -6.198 -22.857
29 2HG1 VAL 5 2HG1 VAL 5 -3.761 -5.547 -23.988
30 3HG1 VAL 5 3HG1 VAL 5 -5.202 -6.366 -24.593
31 1HG2 VAL 5 1HG2 VAL 5 -5.344 -8.793 -24.618
32 2HG2 VAL 5 2HG2 VAL 5 -4.147 -9.773 -23.770
33 3HG2 VAL 5 3HG2 VAL 5 -5.289 -8.788 -22.857
34 H2 A2G 7 H2 A2G 7 -10.900 -1.306 -31.084
35 H4 A2G 7 H4 A2G 7 -14.169 -0.921 -33.599
36 H5 A2G 7 H5 A2G 7 -12.609 -2.456 -34.584
37 H1 A2G 7 H1 A2G 7 -9.661 -2.509 -32.749
38 H3 A2G 7 H3 A2G 7 -13.644 -2.297 -31.847
39 HO4 A2G 7 HO4 A2G 7 -11.943 0.852 -32.973
40 1H6 A2G 7 1H6 A2G 7 -12.517 -1.341 -36.567
41 2H6 A2G 7 2H6 A2G 7 -13.135 0.063 -35.726
42 HN2 A2G 7 HN2 A2G 7 -12.237 -3.950 -31.137
43 1H8 A2G 7 1H8 A2G 7 -11.567 -5.415 -29.737
44 2H8 A2G 7 2H8 A2G 7 -10.058 -5.195 -28.837
45 3H8 A2G 7 3H8 A2G 7 -11.581 -4.580 -28.175
46 H2 A2G 10 H2 A2G 10 -5.374 -9.138 -33.490
47 H4 A2G 10 H4 A2G 10 -7.266 -9.941 -37.018
48 H5 A2G 10 H5 A2G 10 -8.694 -10.577 -35.256
49 H1 A2G 10 H1 A2G 10 -7.295 -9.943 -32.185
50 H3 A2G 10 H3 A2G 10 -7.226 -8.082 -35.666
51 HO4 A2G 10 HO4 A2G 10 -4.858 -10.915 -35.736
52 1H6 A2G 10 1H6 A2G 10 -6.921 -13.014 -35.754
53 2H6 A2G 10 2H6 A2G 10 -8.549 -13.049 -35.147
54 HN2 A2G 10 HN2 A2G 10 -7.533 -7.123 -33.407
55 1H8 A2G 10 1H8 A2G 10 -6.281 -5.590 -30.997
56 2H8 A2G 10 2H8 A2G 10 -5.332 -4.807 -32.275
57 3H8 A2G 10 3H8 A2G 10 -7.027 -5.235 -32.567
58 H2 A2G 13 H2 A2G 13 -8.246 -12.665 -26.545
59 H4 A2G 13 H4 A2G 13 -12.175 -12.703 -27.691
60 H5 A2G 13 H5 A2G 13 -11.508 -10.427 -27.367
61 H1 A2G 13 H1 A2G 13 -8.242 -10.270 -26.188
62 H3 A2G 13 H3 A2G 13 -10.200 -12.510 -28.852
63 HO4 A2G 13 HO4 A2G 13 -10.782 -13.434 -25.240
64 1H6 A2G 13 1H6 A2G 13 -13.179 -9.994 -25.913
65 2H6 A2G 13 2H6 A2G 13 -13.254 -11.698 -25.529
66 HN2 A2G 13 HN2 A2G 13 -8.019 -11.204 -29.089
67 1H8 A2G 13 1H8 A2G 13 -5.090 -11.649 -29.394
68 2H8 A2G 13 2H8 A2G 13 -5.400 -13.282 -30.014
69 3H8 A2G 13 3H8 A2G 13 -6.476 -11.946 -30.461
Start of MODEL 10
1 1H ACE 0 1H ACE 0 32.143 -20.931 18.709
2 2H ACE 0 2H ACE 0 33.298 -21.381 17.451
3 3H ACE 0 3H ACE 0 31.760 -22.239 17.586
4 H SER 1 H SER 1 32.148 -21.475 15.228
5 HA SER 1 HA SER 1 30.222 -19.374 14.747
6 1HB SER 1 1HB SER 1 31.661 -17.990 13.387
7 2HB SER 1 2HB SER 1 32.444 -18.196 14.958
8 H THR 2 H THR 2 29.505 -19.292 12.549
9 HA THR 2 HA THR 2 29.884 -21.837 11.152
10 HB THR 2 HB THR 2 27.944 -20.863 9.733
11 1HG2 THR 2 1HG2 THR 2 27.885 -22.547 11.802
12 2HG2 THR 2 2HG2 THR 2 26.946 -21.220 12.489
13 3HG2 THR 2 3HG2 THR 2 26.432 -21.977 10.983
14 H THR 3 H THR 3 29.336 -21.252 8.585
15 HA THR 3 HA THR 3 31.604 -19.563 7.813
16 HB THR 3 HB THR 3 31.415 -20.923 5.662
17 1HG2 THR 3 1HG2 THR 3 31.988 -23.132 7.094
18 2HG2 THR 3 2HG2 THR 3 33.133 -21.821 6.806
19 3HG2 THR 3 3HG2 THR 3 32.217 -21.884 8.315
20 H ALA 4 H ALA 4 31.334 -18.464 5.652
21 HA ALA 4 HA ALA 4 28.634 -17.844 4.883
22 1HB ALA 4 1HB ALA 4 30.170 -16.057 6.624
23 2HB ALA 4 2HB ALA 4 29.511 -15.272 5.188
24 3HB ALA 4 3HB ALA 4 28.438 -16.117 6.303
25 H VAL 5 H VAL 5 28.625 -17.714 2.762
26 HA VAL 5 HA VAL 5 30.745 -16.311 1.347
27 HB VAL 5 HB VAL 5 31.525 -18.653 1.461
28 1HG1 VAL 5 1HG1 VAL 5 30.355 -20.470 0.606
29 2HG1 VAL 5 2HG1 VAL 5 29.117 -19.554 1.460
30 3HG1 VAL 5 3HG1 VAL 5 29.234 -19.455 -0.298
31 1HG2 VAL 5 1HG2 VAL 5 31.768 -17.040 -0.584
32 2HG2 VAL 5 2HG2 VAL 5 32.263 -18.725 -0.727
33 3HG2 VAL 5 3HG2 VAL 5 30.712 -18.203 -1.384
34 H2 A2G 7 H2 A2G 7 36.186 -18.441 12.139
35 H4 A2G 7 H4 A2G 7 36.443 -20.568 15.634
36 H5 A2G 7 H5 A2G 7 34.209 -19.683 15.449
37 H1 A2G 7 H1 A2G 7 34.040 -17.520 12.701
38 H3 A2G 7 H3 A2G 7 35.761 -21.101 13.496
39 HO4 A2G 7 HO4 A2G 7 37.438 -17.954 14.842
40 1H6 A2G 7 1H6 A2G 7 34.164 -18.195 17.304
41 2H6 A2G 7 2H6 A2G 7 35.670 -19.066 17.538
42 HN2 A2G 7 HN2 A2G 7 34.079 -20.450 11.664
43 1H8 A2G 7 1H8 A2G 7 35.435 -21.424 8.814
44 2H8 A2G 7 2H8 A2G 7 33.914 -21.224 9.704
45 3H8 A2G 7 3H8 A2G 7 34.365 -20.059 8.445
46 H2 A2G 10 H2 A2G 10 26.731 -16.756 9.327
47 H4 A2G 10 H4 A2G 10 25.203 -17.157 13.094
48 H5 A2G 10 H5 A2G 10 25.850 -19.288 12.333
49 H1 A2G 10 H1 A2G 10 27.135 -19.173 9.140
50 H3 A2G 10 H3 A2G 10 27.340 -16.817 12.306
51 HO4 A2G 10 HO4 A2G 10 24.138 -16.278 10.551
52 1H6 A2G 10 1H6 A2G 10 22.940 -18.733 11.632
53 2H6 A2G 10 2H6 A2G 10 23.626 -20.334 11.528
54 HN2 A2G 10 HN2 A2G 10 29.167 -17.572 10.782
55 1H8 A2G 10 1H8 A2G 10 31.069 -16.577 8.497
56 2H8 A2G 10 2H8 A2G 10 30.910 -15.047 9.380
57 3H8 A2G 10 3H8 A2G 10 30.966 -16.580 10.268
58 H2 A2G 13 H2 A2G 13 27.911 -22.870 4.010
59 H4 A2G 13 H4 A2G 13 28.730 -25.857 6.684
60 H5 A2G 13 H5 A2G 13 30.497 -24.265 6.803
61 H1 A2G 13 H1 A2G 13 30.010 -21.735 4.469
62 H3 A2G 13 H3 A2G 13 27.599 -23.875 6.844
63 HO4 A2G 13 HO4 A2G 13 28.850 -25.700 3.779
64 1H6 A2G 13 1H6 A2G 13 32.260 -25.633 6.174
65 2H6 A2G 13 2H6 A2G 13 30.965 -26.773 5.914
66 HN2 A2G 13 HN2 A2G 13 27.516 -21.572 6.627
67 1H8 A2G 13 1H8 A2G 13 25.126 -19.646 5.281
68 2H8 A2G 13 2H8 A2G 13 26.205 -19.913 6.663
69 3H8 A2G 13 3H8 A2G 13 26.660 -18.764 5.391
Start of MODEL 11
1 1H ACE 0 1H ACE 0 18.041 49.177 -42.329
2 2H ACE 0 2H ACE 0 16.623 48.726 -41.379
3 3H ACE 0 3H ACE 0 17.805 47.497 -41.840
4 H SER 1 H SER 1 17.350 47.350 -39.398
5 HA SER 1 HA SER 1 18.890 49.145 -37.733
6 1HB SER 1 1HB SER 1 18.231 47.575 -35.910
7 2HB SER 1 2HB SER 1 16.844 48.137 -36.846
8 H THR 2 H THR 2 20.802 48.663 -36.640
9 HA THR 2 HA THR 2 22.406 46.557 -37.887
10 HB THR 2 HB THR 2 24.285 47.784 -36.586
11 1HG2 THR 2 1HG2 THR 2 23.023 49.635 -38.535
12 2HG2 THR 2 2HG2 THR 2 24.717 49.193 -38.325
13 3HG2 THR 2 3HG2 THR 2 23.599 48.059 -39.083
14 H THR 3 H THR 3 24.300 46.209 -35.800
15 HA THR 3 HA THR 3 22.740 44.530 -33.977
16 HB THR 3 HB THR 3 25.085 43.560 -33.536
17 1HG2 THR 3 1HG2 THR 3 25.036 42.117 -35.363
18 2HG2 THR 3 2HG2 THR 3 23.351 42.593 -35.145
19 3HG2 THR 3 3HG2 THR 3 24.321 43.336 -36.418
20 H ALA 4 H ALA 4 23.890 44.244 -31.771
21 HA ALA 4 HA ALA 4 25.229 46.590 -30.789
22 1HB ALA 4 1HB ALA 4 22.767 45.849 -29.268
23 2HB ALA 4 2HB ALA 4 23.596 47.402 -29.380
24 3HB ALA 4 3HB ALA 4 22.597 46.836 -30.716
25 H VAL 5 H VAL 5 24.358 45.820 -28.007
26 HA VAL 5 HA VAL 5 26.285 43.664 -27.651
27 HB VAL 5 HB VAL 5 24.885 45.295 -25.516
28 1HG1 VAL 5 1HG1 VAL 5 26.860 44.575 -24.149
29 2HG1 VAL 5 2HG1 VAL 5 25.748 43.279 -24.590
30 3HG1 VAL 5 3HG1 VAL 5 27.276 43.464 -25.452
31 1HG2 VAL 5 1HG2 VAL 5 26.133 46.835 -26.848
32 2HG2 VAL 5 2HG2 VAL 5 27.088 46.517 -25.399
33 3HG2 VAL 5 3HG2 VAL 5 27.516 45.744 -26.927
34 H2 A2G 7 H2 A2G 7 16.769 43.495 -35.407
35 H4 A2G 7 H4 A2G 7 14.441 43.900 -38.756
36 H5 A2G 7 H5 A2G 7 15.453 46.039 -38.253
37 H1 A2G 7 H1 A2G 7 17.101 45.870 -35.187
38 H3 A2G 7 H3 A2G 7 16.675 43.464 -38.422
39 HO4 A2G 7 HO4 A2G 7 13.830 43.651 -35.930
40 1H6 A2G 7 1H6 A2G 7 13.152 46.739 -36.634
41 2H6 A2G 7 2H6 A2G 7 13.444 47.095 -38.325
42 HN2 A2G 7 HN2 A2G 7 18.807 44.384 -37.342
43 1H8 A2G 7 1H8 A2G 7 21.164 43.034 -35.565
44 2H8 A2G 7 2H8 A2G 7 20.737 41.781 -36.743
45 3H8 A2G 7 3H8 A2G 7 20.707 43.489 -37.217
46 H2 A2G 10 H2 A2G 10 23.903 50.179 -33.050
47 H4 A2G 10 H4 A2G 10 22.858 53.140 -35.649
48 H5 A2G 10 H5 A2G 10 23.567 51.284 -36.930
49 H1 A2G 10 H1 A2G 10 24.507 48.665 -34.866
50 H3 A2G 10 H3 A2G 10 21.664 51.430 -34.687
51 HO4 A2G 10 HO4 A2G 10 25.038 52.781 -33.760
52 1H6 A2G 10 1H6 A2G 10 25.100 53.534 -36.909
53 2H6 A2G 10 2H6 A2G 10 26.335 52.351 -36.484
54 HN2 A2G 10 HN2 A2G 10 21.478 48.996 -34.260
55 1H8 A2G 10 1H8 A2G 10 20.280 47.796 -32.977
56 2H8 A2G 10 2H8 A2G 10 21.365 46.658 -32.151
57 3H8 A2G 10 3H8 A2G 10 20.498 47.898 -31.219
58 H2 A2G 13 H2 A2G 13 28.770 45.900 -33.955
59 H4 A2G 13 H4 A2G 13 28.522 44.671 -37.792
60 H5 A2G 13 H5 A2G 13 26.894 43.458 -36.572
61 H1 A2G 13 H1 A2G 13 26.864 44.481 -33.254
62 H3 A2G 13 H3 A2G 13 27.454 46.333 -36.656
63 HO4 A2G 13 HO4 A2G 13 30.454 44.208 -35.679
64 1H6 A2G 13 1H6 A2G 13 28.834 41.485 -35.687
65 2H6 A2G 13 2H6 A2G 13 27.736 41.417 -37.053
66 HN2 A2G 13 HN2 A2G 13 26.275 47.244 -34.784
67 1H8 A2G 13 1H8 A2G 13 26.253 49.422 -33.927
68 2H8 A2G 13 2H8 A2G 13 25.696 48.707 -32.406
69 3H8 A2G 13 3H8 A2G 13 27.108 49.771 -32.418
Start of MODEL 12
1 1H ACE 0 1H ACE 0 18.239 33.232 -12.356
2 2H ACE 0 2H ACE 0 16.605 33.860 -12.600
3 3H ACE 0 3H ACE 0 16.885 32.552 -11.447
4 H SER 1 H SER 1 18.782 33.163 -9.923
5 HA SER 1 HA SER 1 17.843 35.410 -8.373
6 1HB SER 1 1HB SER 1 19.448 34.626 -6.683
7 2HB SER 1 2HB SER 1 18.466 33.290 -7.286
8 H THR 2 H THR 2 19.742 36.667 -7.184
9 HA THR 2 HA THR 2 21.228 37.997 -9.324
10 HB THR 2 HB THR 2 21.693 39.714 -7.546
11 1HG2 THR 2 1HG2 THR 2 19.130 39.149 -8.764
12 2HG2 THR 2 2HG2 THR 2 18.987 40.061 -7.259
13 3HG2 THR 2 3HG2 THR 2 19.995 40.674 -8.576
14 H THR 3 H THR 3 23.337 39.061 -8.397
15 HA THR 3 HA THR 3 24.984 36.845 -7.371
16 HB THR 3 HB THR 3 26.863 38.116 -8.447
17 1HG2 THR 3 1HG2 THR 3 24.552 37.497 -10.268
18 2HG2 THR 3 2HG2 THR 3 26.242 37.661 -10.757
19 3HG2 THR 3 3HG2 THR 3 25.755 36.337 -9.699
20 H ALA 4 H ALA 4 27.159 38.004 -6.436
21 HA ALA 4 HA ALA 4 26.567 40.269 -4.754
22 1HB ALA 4 1HB ALA 4 25.901 39.115 -2.967
23 2HB ALA 4 2HB ALA 4 26.275 37.577 -3.746
24 3HB ALA 4 3HB ALA 4 27.529 38.449 -2.863
25 H VAL 5 H VAL 5 28.322 41.476 -4.831
26 HA VAL 5 HA VAL 5 30.906 40.257 -5.405
27 HB VAL 5 HB VAL 5 30.192 42.231 -6.711
28 1HG1 VAL 5 1HG1 VAL 5 30.576 43.884 -4.228
29 2HG1 VAL 5 2HG1 VAL 5 29.947 44.390 -5.795
30 3HG1 VAL 5 3HG1 VAL 5 28.995 43.323 -4.764
31 1HG2 VAL 5 1HG2 VAL 5 32.603 41.685 -6.276
32 2HG2 VAL 5 2HG2 VAL 5 32.292 43.379 -6.659
33 3HG2 VAL 5 3HG2 VAL 5 32.582 42.890 -4.989
34 H2 A2G 7 H2 A2G 7 23.214 32.134 -6.666
35 H4 A2G 7 H4 A2G 7 20.549 29.178 -7.679
36 H5 A2G 7 H5 A2G 7 19.389 31.306 -7.608
37 H1 A2G 7 H1 A2G 7 21.489 33.744 -6.254
38 H3 A2G 7 H3 A2G 7 21.794 30.688 -8.904
39 HO4 A2G 7 HO4 A2G 7 21.903 29.915 -5.209
40 1H6 A2G 7 1H6 A2G 7 18.913 29.232 -5.706
41 2H6 A2G 7 2H6 A2G 7 18.764 30.741 -4.816
42 HN2 A2G 7 HN2 A2G 7 22.254 33.179 -9.248
43 1H8 A2G 7 1H8 A2G 7 24.307 33.355 -10.773
44 2H8 A2G 7 2H8 A2G 7 24.006 34.875 -9.913
45 3H8 A2G 7 3H8 A2G 7 25.628 34.156 -9.904
46 H2 A2G 10 H2 A2G 10 22.177 39.417 -3.328
47 H4 A2G 10 H4 A2G 10 18.135 38.895 -3.100
48 H5 A2G 10 H5 A2G 10 18.646 39.537 -5.307
49 H1 A2G 10 H1 A2G 10 22.062 40.073 -5.673
50 H3 A2G 10 H3 A2G 10 19.866 37.484 -3.622
51 HO4 A2G 10 HO4 A2G 10 19.997 40.770 -1.911
52 1H6 A2G 10 1H6 A2G 10 17.053 41.068 -3.982
53 2H6 A2G 10 2H6 A2G 10 18.364 42.219 -3.886
54 HN2 A2G 10 HN2 A2G 10 21.805 37.049 -5.052
55 1H8 A2G 10 1H8 A2G 10 24.485 36.237 -5.260
56 2H8 A2G 10 2H8 A2G 10 24.717 35.679 -3.594
57 3H8 A2G 10 3H8 A2G 10 23.207 35.314 -4.450
58 H2 A2G 13 H2 A2G 13 27.014 42.520 -8.653
59 H4 A2G 13 H4 A2G 13 25.388 41.613 -12.272
60 H5 A2G 13 H5 A2G 13 26.067 39.591 -11.314
61 H1 A2G 13 H1 A2G 13 27.299 40.138 -8.121
62 H3 A2G 13 H3 A2G 13 24.489 41.923 -10.227
63 HO4 A2G 13 HO4 A2G 13 27.841 42.949 -11.491
64 1H6 A2G 13 1H6 A2G 13 28.850 40.140 -12.190
65 2H6 A2G 13 2H6 A2G 13 27.738 38.914 -12.720
66 HN2 A2G 13 HN2 A2G 13 24.341 41.498 -7.936
67 1H8 A2G 13 1H8 A2G 13 24.881 42.089 -4.677
68 2H8 A2G 13 2H8 A2G 13 24.142 43.494 -5.463
69 3H8 A2G 13 3H8 A2G 13 23.678 41.856 -5.957
Start of MODEL 13
1 1H ACE 0 1H ACE 0 -1.401 7.474 -15.469
2 2H ACE 0 2H ACE 0 -2.766 7.198 -16.554
3 3H ACE 0 3H ACE 0 -3.041 7.860 -14.940
4 H SER 1 H SER 1 -4.190 9.242 -16.685
5 HA SER 1 HA SER 1 -2.548 11.266 -17.917
6 1HB SER 1 1HB SER 1 -4.607 12.183 -18.771
7 2HB SER 1 2HB SER 1 -4.690 10.428 -18.921
8 H THR 2 H THR 2 -3.530 13.634 -17.607
9 HA THR 2 HA THR 2 -3.138 14.229 -14.772
10 HB THR 2 HB THR 2 -3.009 16.634 -15.732
11 1HG2 THR 2 1HG2 THR 2 -1.068 14.657 -15.415
12 2HG2 THR 2 2HG2 THR 2 -0.756 15.381 -16.994
13 3HG2 THR 2 3HG2 THR 2 -0.816 16.397 -15.552
14 H THR 3 H THR 3 -4.309 16.642 -14.456
15 HA THR 3 HA THR 3 -7.165 15.992 -14.597
16 HB THR 3 HB THR 3 -7.277 17.755 -12.758
17 1HG2 THR 3 1HG2 THR 3 -5.469 15.420 -12.187
18 2HG2 THR 3 2HG2 THR 3 -6.409 16.339 -11.009
19 3HG2 THR 3 3HG2 THR 3 -7.234 15.351 -12.217
20 H ALA 4 H ALA 4 -8.522 18.096 -14.511
21 HA ALA 4 HA ALA 4 -7.465 20.304 -16.030
22 1HB ALA 4 1HB ALA 4 -8.224 19.702 -18.042
23 2HB ALA 4 2HB ALA 4 -8.840 18.192 -17.369
24 3HB ALA 4 3HB ALA 4 -9.863 19.629 -17.400
25 H VAL 5 H VAL 5 -8.184 21.994 -14.905
26 HA VAL 5 HA VAL 5 -11.015 22.201 -14.245
27 HB VAL 5 HB VAL 5 -10.266 23.095 -11.906
28 1HG1 VAL 5 1HG1 VAL 5 -11.671 21.074 -12.437
29 2HG1 VAL 5 2HG1 VAL 5 -10.192 20.118 -12.333
30 3HG1 VAL 5 3HG1 VAL 5 -10.773 21.004 -10.922
31 1HG2 VAL 5 1HG2 VAL 5 -8.329 21.975 -10.958
32 2HG2 VAL 5 2HG2 VAL 5 -8.020 21.153 -12.487
33 3HG2 VAL 5 3HG2 VAL 5 -7.838 22.904 -12.373
34 H2 A2G 7 H2 A2G 7 -9.095 11.799 -17.686
35 H4 A2G 7 H4 A2G 7 -8.187 7.783 -17.648
36 H5 A2G 7 H5 A2G 7 -6.165 9.076 -18.036
37 H1 A2G 7 H1 A2G 7 -7.008 12.396 -18.680
38 H3 A2G 7 H3 A2G 7 -8.153 9.459 -16.075
39 HO4 A2G 7 HO4 A2G 7 -9.472 9.466 -19.643
40 1H6 A2G 7 1H6 A2G 7 -5.912 8.651 -20.633
41 2H6 A2G 7 2H6 A2G 7 -6.089 7.283 -19.551
42 HN2 A2G 7 HN2 A2G 7 -7.027 11.692 -15.595
43 1H8 A2G 7 1H8 A2G 7 -7.297 12.985 -13.938
44 2H8 A2G 7 2H8 A2G 7 -8.407 14.354 -14.132
45 3H8 A2G 7 3H8 A2G 7 -8.952 12.883 -13.307
46 H2 A2G 10 H2 A2G 10 -4.621 18.129 -19.399
47 H4 A2G 10 H4 A2G 10 -1.605 16.067 -21.202
48 H5 A2G 10 H5 A2G 10 -1.176 16.075 -18.881
49 H1 A2G 10 H1 A2G 10 -3.669 17.751 -17.177
50 H3 A2G 10 H3 A2G 10 -3.652 15.447 -20.403
51 HO4 A2G 10 HO4 A2G 10 -2.323 18.872 -21.152
52 1H6 A2G 10 1H6 A2G 10 0.089 18.746 -19.262
53 2H6 A2G 10 2H6 A2G 10 0.796 17.222 -18.770
54 HN2 A2G 10 HN2 A2G 10 -5.164 15.317 -18.665
55 1H8 A2G 10 1H8 A2G 10 -7.179 14.817 -18.253
56 2H8 A2G 10 2H8 A2G 10 -8.000 16.063 -17.289
57 3H8 A2G 10 3H8 A2G 10 -8.422 15.841 -18.999
58 H2 A2G 13 H2 A2G 13 -4.614 21.132 -12.183
59 H4 A2G 13 H4 A2G 13 -2.356 18.347 -10.160
60 H5 A2G 13 H5 A2G 13 -4.394 17.339 -10.796
61 H1 A2G 13 H1 A2G 13 -6.447 19.564 -12.433
62 H3 A2G 13 H3 A2G 13 -2.461 19.014 -12.344
63 HO4 A2G 13 HO4 A2G 13 -3.668 20.802 -9.339
64 1H6 A2G 13 1H6 A2G 13 -3.887 17.538 -8.214
65 2H6 A2G 13 2H6 A2G 13 -5.316 18.568 -8.187
66 HN2 A2G 13 HN2 A2G 13 -4.072 19.167 -14.313
67 1H8 A2G 13 1H8 A2G 13 -3.565 19.935 -16.230
68 2H8 A2G 13 2H8 A2G 13 -4.780 21.176 -16.591
69 3H8 A2G 13 3H8 A2G 13 -3.073 21.629 -16.419
Start of MODEL 14
1 1H ACE 0 1H ACE 0 -24.618 67.597 -68.527
2 2H ACE 0 2H ACE 0 -25.539 68.981 -69.122
3 3H ACE 0 3H ACE 0 -25.732 67.399 -69.883
4 H SER 1 H SER 1 -26.255 65.646 -68.265
5 HA SER 1 HA SER 1 -28.747 66.361 -66.985
6 1HB SER 1 1HB SER 1 -28.849 63.883 -66.513
7 2HB SER 1 2HB SER 1 -28.678 64.286 -68.224
8 H THR 2 H THR 2 -29.270 65.641 -64.765
9 HA THR 2 HA THR 2 -27.032 66.240 -62.972
10 HB THR 2 HB THR 2 -28.982 66.283 -61.268
11 1HG2 THR 2 1HG2 THR 2 -29.886 68.468 -62.611
12 2HG2 THR 2 2HG2 THR 2 -28.468 68.439 -61.562
13 3HG2 THR 2 3HG2 THR 2 -28.278 68.259 -63.306
14 H THR 3 H THR 3 -27.901 64.986 -60.624
15 HA THR 3 HA THR 3 -27.328 62.190 -61.280
16 HB THR 3 HB THR 3 -26.853 62.105 -58.757
17 1HG2 THR 3 1HG2 THR 3 -25.019 62.212 -60.315
18 2HG2 THR 3 2HG2 THR 3 -25.238 63.956 -60.482
19 3HG2 THR 3 3HG2 THR 3 -24.701 63.278 -58.945
20 H ALA 4 H ALA 4 -28.614 60.505 -60.561
21 HA ALA 4 HA ALA 4 -31.331 61.248 -59.960
22 1HB ALA 4 1HB ALA 4 -31.914 59.035 -60.528
23 2HB ALA 4 2HB ALA 4 -30.598 59.447 -61.627
24 3HB ALA 4 3HB ALA 4 -30.286 58.435 -60.216
25 H VAL 5 H VAL 5 -31.581 58.536 -58.551
26 HA VAL 5 HA VAL 5 -30.332 59.095 -55.979
27 HB VAL 5 HB VAL 5 -33.340 58.806 -56.228
28 1HG1 VAL 5 1HG1 VAL 5 -33.276 59.411 -53.794
29 2HG1 VAL 5 2HG1 VAL 5 -32.616 57.824 -54.186
30 3HG1 VAL 5 3HG1 VAL 5 -31.531 59.173 -53.847
31 1HG2 VAL 5 1HG2 VAL 5 -32.724 61.004 -56.980
32 2HG2 VAL 5 2HG2 VAL 5 -33.373 61.150 -55.346
33 3HG2 VAL 5 3HG2 VAL 5 -31.631 61.221 -55.614
34 H2 A2G 7 H2 A2G 7 -26.029 60.636 -66.104
35 H4 A2G 7 H4 A2G 7 -24.765 61.377 -69.967
36 H5 A2G 7 H5 A2G 7 -26.535 62.911 -69.392
37 H1 A2G 7 H1 A2G 7 -27.971 62.015 -66.365
38 H3 A2G 7 H3 A2G 7 -24.176 62.189 -67.900
39 HO4 A2G 7 HO4 A2G 7 -26.283 59.213 -68.752
40 1H6 A2G 7 1H6 A2G 7 -26.800 61.028 -71.416
41 2H6 A2G 7 2H6 A2G 7 -28.311 60.819 -70.542
42 HN2 A2G 7 HN2 A2G 7 -24.859 63.345 -66.031
43 1H8 A2G 7 1H8 A2G 7 -23.708 63.560 -63.904
44 2H8 A2G 7 2H8 A2G 7 -25.314 64.198 -63.518
45 3H8 A2G 7 3H8 A2G 7 -24.591 62.946 -62.494
46 H2 A2G 10 H2 A2G 10 -32.528 63.915 -61.779
47 H4 A2G 10 H4 A2G 10 -33.992 67.249 -63.606
48 H5 A2G 10 H5 A2G 10 -31.850 67.785 -62.784
49 H1 A2G 10 H1 A2G 10 -30.500 65.064 -61.092
50 H3 A2G 10 H3 A2G 10 -32.714 65.486 -64.361
51 HO4 A2G 10 HO4 A2G 10 -34.648 65.830 -61.154
52 1H6 A2G 10 1H6 A2G 10 -34.159 68.812 -61.521
53 2H6 A2G 10 2H6 A2G 10 -33.071 68.459 -60.189
54 HN2 A2G 10 HN2 A2G 10 -30.743 64.143 -64.125
55 1H8 A2G 10 1H8 A2G 10 -30.892 60.939 -64.676
56 2H8 A2G 10 2H8 A2G 10 -29.860 62.373 -64.828
57 3H8 A2G 10 3H8 A2G 10 -29.505 61.152 -63.592
58 H2 A2G 13 H2 A2G 13 -28.960 64.866 -55.978
59 H4 A2G 13 H4 A2G 13 -25.557 66.911 -56.521
60 H5 A2G 13 H5 A2G 13 -25.247 64.802 -57.489
61 H1 A2G 13 H1 A2G 13 -28.183 62.943 -57.343
62 H3 A2G 13 H3 A2G 13 -27.348 66.647 -57.820
63 HO4 A2G 13 HO4 A2G 13 -26.908 65.784 -54.208
64 1H6 A2G 13 1H6 A2G 13 -24.070 65.230 -54.945
65 2H6 A2G 13 2H6 A2G 13 -24.619 63.569 -54.927
66 HN2 A2G 13 HN2 A2G 13 -29.287 65.640 -58.787
67 1H8 A2G 13 1H8 A2G 13 -32.818 65.160 -58.207
68 2H8 A2G 13 2H8 A2G 13 -31.739 66.394 -58.877
69 3H8 A2G 13 3H8 A2G 13 -31.644 64.722 -59.458
Start of MODEL 15
1 1H ACE 0 1H ACE 0 34.281 3.564 16.139
2 2H ACE 0 2H ACE 0 33.790 2.322 14.984
3 3H ACE 0 3H ACE 0 35.454 2.371 15.573
4 H SER 1 H SER 1 35.238 0.230 16.168
5 HA SER 1 HA SER 1 33.360 -0.559 18.220
6 1HB SER 1 1HB SER 1 34.544 -2.735 18.104
7 2HB SER 1 2HB SER 1 34.063 -2.169 16.503
8 H THR 2 H THR 2 33.928 -1.265 20.342
9 HA THR 2 HA THR 2 36.219 0.195 21.437
10 HB THR 2 HB THR 2 35.099 -0.472 23.649
11 1HG2 THR 2 1HG2 THR 2 34.435 1.593 21.811
12 2HG2 THR 2 2HG2 THR 2 32.965 1.051 22.622
13 3HG2 THR 2 3HG2 THR 2 34.347 1.600 23.572
14 H THR 3 H THR 3 36.729 -1.212 23.748
15 HA THR 3 HA THR 3 38.039 -3.613 22.694
16 HB THR 3 HB THR 3 39.352 -3.359 24.883
17 1HG2 THR 3 1HG2 THR 3 39.513 -0.996 23.030
18 2HG2 THR 3 2HG2 THR 3 40.793 -1.642 24.061
19 3HG2 THR 3 3HG2 THR 3 40.216 -2.577 22.682
20 H ALA 4 H ALA 4 37.847 -5.602 23.736
21 HA ALA 4 HA ALA 4 35.429 -5.914 25.271
22 1HB ALA 4 1HB ALA 4 35.580 -8.209 24.789
23 2HB ALA 4 2HB ALA 4 36.224 -7.425 23.347
24 3HB ALA 4 3HB ALA 4 37.322 -8.132 24.532
25 H VAL 5 H VAL 5 36.742 -8.386 26.517
26 HA VAL 5 HA VAL 5 38.474 -7.190 28.525
27 HB VAL 5 HB VAL 5 37.034 -8.327 30.348
28 1HG1 VAL 5 1HG1 VAL 5 35.862 -5.864 29.076
29 2HG1 VAL 5 2HG1 VAL 5 35.864 -6.311 30.782
30 3HG1 VAL 5 3HG1 VAL 5 37.373 -5.865 29.984
31 1HG2 VAL 5 1HG2 VAL 5 34.916 -7.945 28.221
32 2HG2 VAL 5 2HG2 VAL 5 35.519 -9.501 28.793
33 3HG2 VAL 5 3HG2 VAL 5 34.641 -8.436 29.891
34 H2 A2G 7 H2 A2G 7 38.383 -4.379 16.717
35 H4 A2G 7 H4 A2G 7 38.275 -1.986 13.420
36 H5 A2G 7 H5 A2G 7 36.225 -1.663 14.708
37 H1 A2G 7 H1 A2G 7 36.055 -4.058 17.235
38 H3 A2G 7 H3 A2G 7 38.822 -1.598 15.626
39 HO4 A2G 7 HO4 A2G 7 37.889 -4.836 13.805
40 1H6 A2G 7 1H6 A2G 7 34.832 -3.572 13.143
41 2H6 A2G 7 2H6 A2G 7 35.113 -1.889 12.735
42 HN2 A2G 7 HN2 A2G 7 38.039 -1.775 18.051
43 1H8 A2G 7 1H8 A2G 7 38.814 -1.826 20.165
44 2H8 A2G 7 2H8 A2G 7 40.045 -3.006 20.652
45 3H8 A2G 7 3H8 A2G 7 40.483 -1.657 19.588
46 H2 A2G 10 H2 A2G 10 32.550 -3.778 24.559
47 H4 A2G 10 H4 A2G 10 29.530 -1.667 22.810
48 H5 A2G 10 H5 A2G 10 31.463 -0.275 22.856
49 H1 A2G 10 H1 A2G 10 34.071 -1.882 24.505
50 H3 A2G 10 H3 A2G 10 31.213 -2.984 21.956
51 HO4 A2G 10 HO4 A2G 10 30.084 -2.572 25.523
52 1H6 A2G 10 1H6 A2G 10 29.302 0.185 24.723
53 2H6 A2G 10 2H6 A2G 10 30.796 0.763 25.448
54 HN2 A2G 10 HN2 A2G 10 33.652 -3.447 21.840
55 1H8 A2G 10 1H8 A2G 10 34.741 -6.808 22.022
56 2H8 A2G 10 2H8 A2G 10 34.296 -5.482 20.933
57 3H8 A2G 10 3H8 A2G 10 35.720 -5.330 21.979
58 H2 A2G 13 H2 A2G 13 38.180 -1.341 28.561
59 H4 A2G 13 H4 A2G 13 39.564 1.964 26.534
60 H5 A2G 13 H5 A2G 13 39.882 0.060 25.170
61 H1 A2G 13 H1 A2G 13 38.937 -2.825 26.810
62 H3 A2G 13 H3 A2G 13 37.524 0.961 26.742
63 HO4 A2G 13 HO4 A2G 13 40.549 0.531 28.867
64 1H6 A2G 13 1H6 A2G 13 42.097 1.349 26.275
65 2H6 A2G 13 2H6 A2G 13 42.498 -0.349 26.462
66 HN2 A2G 13 HN2 A2G 13 36.354 -1.234 26.249
67 1H8 A2G 13 1H8 A2G 13 34.286 -2.906 27.326
68 2H8 A2G 13 2H8 A2G 13 33.648 -1.691 28.449
69 3H8 A2G 13 3H8 A2G 13 34.156 -1.211 26.820
Start of MODEL 16
1 1H ACE 0 1H ACE 0 16.788 7.694 -15.399
2 2H ACE 0 2H ACE 0 18.088 7.506 -16.580
3 3H ACE 0 3H ACE 0 16.835 6.269 -16.441
4 H SER 1 H SER 1 14.576 7.422 -16.440
5 HA SER 1 HA SER 1 14.273 8.500 -19.096
6 1HB SER 1 1HB SER 1 11.814 8.413 -18.521
7 2HB SER 1 2HB SER 1 12.655 6.865 -18.401
8 H THR 2 H THR 2 13.029 10.424 -19.588
9 HA THR 2 HA THR 2 13.667 12.581 -17.716
10 HB THR 2 HB THR 2 13.004 14.025 -19.722
11 1HG2 THR 2 1HG2 THR 2 15.384 13.089 -19.093
12 2HG2 THR 2 2HG2 THR 2 15.178 12.244 -20.628
13 3HG2 THR 2 3HG2 THR 2 15.091 14.004 -20.570
14 H THR 3 H THR 3 11.733 14.488 -18.541
15 HA THR 3 HA THR 3 9.379 13.376 -17.181
16 HB THR 3 HB THR 3 8.780 15.844 -16.991
17 1HG2 THR 3 1HG2 THR 3 10.125 16.254 -15.142
18 2HG2 THR 3 2HG2 THR 3 10.058 14.493 -15.222
19 3HG2 THR 3 3HG2 THR 3 11.483 15.351 -15.813
20 H ALA 4 H ALA 4 7.265 14.537 -17.886
21 HA ALA 4 HA ALA 4 7.127 15.106 -20.704
22 1HB ALA 4 1HB ALA 4 6.023 13.239 -21.396
23 2HB ALA 4 2HB ALA 4 6.849 12.506 -20.022
24 3HB ALA 4 3HB ALA 4 5.179 13.041 -19.861
25 H VAL 5 H VAL 5 4.196 14.512 -20.633
26 HA VAL 5 HA VAL 5 3.375 16.981 -19.330
27 HB VAL 5 HB VAL 5 1.790 15.154 -21.153
28 1HG1 VAL 5 1HG1 VAL 5 1.219 17.910 -20.079
29 2HG1 VAL 5 2HG1 VAL 5 0.331 17.166 -21.409
30 3HG1 VAL 5 3HG1 VAL 5 0.294 16.436 -19.804
31 1HG2 VAL 5 1HG2 VAL 5 2.180 16.990 -22.830
32 2HG2 VAL 5 2HG2 VAL 5 3.365 17.669 -21.714
33 3HG2 VAL 5 3HG2 VAL 5 3.617 16.064 -22.402
34 H2 A2G 7 H2 A2G 7 9.313 7.629 -14.992
35 H4 A2G 7 H4 A2G 7 12.140 4.971 -13.616
36 H5 A2G 7 H5 A2G 7 12.794 5.764 -15.798
37 H1 A2G 7 H1 A2G 7 10.221 7.631 -17.215
38 H3 A2G 7 H3 A2G 7 11.900 7.248 -13.516
39 HO4 A2G 7 HO4 A2G 7 9.454 4.589 -14.655
40 1H6 A2G 7 1H6 A2G 7 12.742 3.744 -17.045
41 2H6 A2G 7 2H6 A2G 7 12.566 3.208 -15.390
42 HN2 A2G 7 HN2 A2G 7 11.784 9.232 -14.720
43 1H8 A2G 7 1H8 A2G 7 10.228 12.032 -15.426
44 2H8 A2G 7 2H8 A2G 7 10.073 11.811 -13.676
45 3H8 A2G 7 3H8 A2G 7 11.560 11.313 -14.503
46 H2 A2G 10 H2 A2G 10 10.067 13.009 -22.693
47 H4 A2G 10 H4 A2G 10 13.188 11.255 -24.564
48 H5 A2G 10 H5 A2G 10 14.095 12.489 -22.768
49 H1 A2G 10 H1 A2G 10 11.509 13.984 -20.955
50 H3 A2G 10 H3 A2G 10 11.853 10.556 -22.837
51 HO4 A2G 10 HO4 A2G 10 11.445 13.487 -25.223
52 1H6 A2G 10 1H6 A2G 10 15.201 14.275 -23.850
53 2H6 A2G 10 2H6 A2G 10 14.683 13.292 -25.204
54 HN2 A2G 10 HN2 A2G 10 10.789 11.087 -20.576
55 1H8 A2G 10 1H8 A2G 10 8.216 11.372 -19.089
56 2H8 A2G 10 2H8 A2G 10 7.414 10.295 -20.253
57 3H8 A2G 10 3H8 A2G 10 9.079 9.961 -19.740
58 H2 A2G 13 H2 A2G 13 9.857 19.007 -19.778
59 H4 A2G 13 H4 A2G 13 13.141 19.275 -17.349
60 H5 A2G 13 H5 A2G 13 11.690 17.636 -16.461
61 H1 A2G 13 H1 A2G 13 8.806 17.375 -18.318
62 H3 A2G 13 H3 A2G 13 12.646 18.045 -19.190
63 HO4 A2G 13 HO4 A2G 13 10.925 21.070 -17.924
64 1H6 A2G 13 1H6 A2G 13 11.682 20.274 -15.175
65 2H6 A2G 13 2H6 A2G 13 10.227 19.383 -14.812
66 HN2 A2G 13 HN2 A2G 13 11.375 16.539 -20.289
67 1H8 A2G 13 1H8 A2G 13 10.842 15.450 -22.047
68 2H8 A2G 13 2H8 A2G 13 9.219 15.629 -22.720
69 3H8 A2G 13 3H8 A2G 13 10.562 16.584 -23.373
Start of MODEL 17
1 1H ACE 0 1H ACE 0 8.490 3.120 -16.346
2 2H ACE 0 2H ACE 0 7.136 2.800 -15.259
3 3H ACE 0 3H ACE 0 8.780 2.384 -14.767
4 H SER 1 H SER 1 10.209 4.493 -15.431
5 HA SER 1 HA SER 1 9.461 6.444 -13.435
6 1HB SER 1 1HB SER 1 11.673 7.371 -13.787
7 2HB SER 1 2HB SER 1 11.815 5.611 -13.747
8 H THR 2 H THR 2 9.526 8.776 -13.858
9 HA THR 2 HA THR 2 8.211 9.410 -16.396
10 HB THR 2 HB THR 2 7.848 11.667 -15.133
11 1HG2 THR 2 1HG2 THR 2 6.212 9.616 -15.460
12 2HG2 THR 2 2HG2 THR 2 6.407 9.517 -13.709
13 3HG2 THR 2 3HG2 THR 2 5.802 11.001 -14.447
14 H THR 3 H THR 3 8.762 12.137 -16.556
15 HA THR 3 HA THR 3 11.557 12.099 -17.410
16 HB THR 3 HB THR 3 10.748 14.222 -18.644
17 1HG2 THR 3 1HG2 THR 3 11.037 12.026 -19.766
18 2HG2 THR 3 2HG2 THR 3 9.356 11.658 -19.369
19 3HG2 THR 3 3HG2 THR 3 9.734 13.005 -20.444
20 H ALA 4 H ALA 4 13.006 13.666 -16.727
21 HA ALA 4 HA ALA 4 12.311 14.974 -14.254
22 1HB ALA 4 1HB ALA 4 14.977 15.157 -15.636
23 2HB ALA 4 2HB ALA 4 14.618 15.257 -13.912
24 3HB ALA 4 3HB ALA 4 14.494 13.711 -14.752
25 H VAL 5 H VAL 5 14.448 17.058 -14.955
26 HA VAL 5 HA VAL 5 13.023 18.754 -16.841
27 HB VAL 5 HB VAL 5 13.187 20.686 -15.133
28 1HG1 VAL 5 1HG1 VAL 5 11.111 18.583 -14.559
29 2HG1 VAL 5 2HG1 VAL 5 10.956 20.333 -14.405
30 3HG1 VAL 5 3HG1 VAL 5 11.099 19.596 -16.001
31 1HG2 VAL 5 1HG2 VAL 5 12.956 20.033 -12.783
32 2HG2 VAL 5 2HG2 VAL 5 13.162 18.338 -13.226
33 3HG2 VAL 5 3HG2 VAL 5 14.492 19.475 -13.442
34 H2 A2G 7 H2 A2G 7 14.862 7.142 -17.094
35 H4 A2G 7 H4 A2G 7 13.666 3.215 -17.471
36 H5 A2G 7 H5 A2G 7 12.419 4.276 -15.710
37 H1 A2G 7 H1 A2G 7 13.723 7.412 -15.005
38 H3 A2G 7 H3 A2G 7 12.920 5.209 -18.337
39 HO4 A2G 7 HO4 A2G 7 16.116 4.497 -16.580
40 1H6 A2G 7 1H6 A2G 7 13.561 2.063 -15.171
41 2H6 A2G 7 2H6 A2G 7 14.835 2.965 -14.374
42 HN2 A2G 7 HN2 A2G 7 11.984 7.463 -17.634
43 1H8 A2G 7 1H8 A2G 7 12.461 10.469 -18.744
44 2H8 A2G 7 2H8 A2G 7 12.522 9.457 -20.198
45 3H8 A2G 7 3H8 A2G 7 11.407 9.050 -18.880
46 H2 A2G 10 H2 A2G 10 9.846 13.263 -11.699
47 H4 A2G 10 H4 A2G 10 7.726 10.513 -9.535
48 H5 A2G 10 H5 A2G 10 6.979 10.440 -11.785
49 H1 A2G 10 H1 A2G 10 8.573 12.810 -13.724
50 H3 A2G 10 H3 A2G 10 9.665 10.372 -10.775
51 HO4 A2G 10 HO4 A2G 10 7.940 13.405 -9.513
52 1H6 A2G 10 1H6 A2G 10 5.263 12.482 -10.290
53 2H6 A2G 10 2H6 A2G 10 4.778 11.649 -11.746
54 HN2 A2G 10 HN2 A2G 10 10.781 10.758 -12.953
55 1H8 A2G 10 1H8 A2G 10 14.008 12.136 -13.018
56 2H8 A2G 10 2H8 A2G 10 13.024 10.668 -13.159
57 3H8 A2G 10 3H8 A2G 10 12.984 11.889 -14.445
58 H2 A2G 13 H2 A2G 13 7.289 16.740 -17.995
59 H4 A2G 13 H4 A2G 13 5.139 13.587 -19.510
60 H5 A2G 13 H5 A2G 13 7.445 13.065 -19.684
61 H1 A2G 13 H1 A2G 13 9.391 15.715 -18.607
62 H3 A2G 13 H3 A2G 13 5.896 14.123 -17.430
63 HO4 A2G 13 HO4 A2G 13 5.623 16.299 -20.443
64 1H6 A2G 13 1H6 A2G 13 5.974 13.750 -22.045
65 2H6 A2G 13 2H6 A2G 13 7.604 14.339 -22.288
66 HN2 A2G 13 HN2 A2G 13 7.995 14.590 -16.100
67 1H8 A2G 13 1H8 A2G 13 7.349 16.742 -13.452
68 2H8 A2G 13 2H8 A2G 13 7.801 15.108 -13.973
69 3H8 A2G 13 3H8 A2G 13 9.010 16.406 -13.972
Start of MODEL 18
1 1H ACE 0 1H ACE 0 -12.820 -25.743 -50.263
2 2H ACE 0 2H ACE 0 -13.129 -25.859 -51.999
3 3H ACE 0 3H ACE 0 -14.319 -25.098 -50.939
4 H SER 1 H SER 1 -13.545 -23.788 -53.088
5 HA SER 1 HA SER 1 -11.356 -21.977 -52.550
6 1HB SER 1 1HB SER 1 -12.207 -20.850 -54.660
7 2HB SER 1 2HB SER 1 -11.734 -22.540 -54.851
8 H THR 2 H THR 2 -11.863 -19.535 -52.922
9 HA THR 2 HA THR 2 -13.912 -18.820 -50.961
10 HB THR 2 HB THR 2 -12.741 -16.532 -51.159
11 1HG2 THR 2 1HG2 THR 2 -10.713 -18.473 -50.242
12 2HG2 THR 2 2HG2 THR 2 -11.347 -17.029 -49.453
13 3HG2 THR 2 3HG2 THR 2 -12.287 -18.522 -49.446
14 H THR 3 H THR 3 -14.454 -16.229 -51.586
15 HA THR 3 HA THR 3 -16.087 -16.493 -53.999
16 HB THR 3 HB THR 3 -17.237 -14.447 -52.944
17 1HG2 THR 3 1HG2 THR 3 -17.199 -17.003 -51.354
18 2HG2 THR 3 2HG2 THR 3 -18.426 -15.740 -51.250
19 3HG2 THR 3 3HG2 THR 3 -18.234 -16.660 -52.743
20 H ALA 4 H ALA 4 -16.048 -14.926 -55.620
21 HA ALA 4 HA ALA 4 -13.600 -13.414 -55.762
22 1HB ALA 4 1HB ALA 4 -15.772 -13.478 -57.849
23 2HB ALA 4 2HB ALA 4 -14.048 -13.173 -58.069
24 3HB ALA 4 3HB ALA 4 -14.614 -14.793 -57.663
25 H VAL 5 H VAL 5 -15.076 -11.469 -57.597
26 HA VAL 5 HA VAL 5 -16.574 -9.857 -55.689
27 HB VAL 5 HB VAL 5 -14.109 -8.771 -57.082
28 1HG1 VAL 5 1HG1 VAL 5 -16.160 -7.469 -55.304
29 2HG1 VAL 5 2HG1 VAL 5 -14.575 -6.765 -55.629
30 3HG1 VAL 5 3HG1 VAL 5 -15.711 -7.032 -56.951
31 1HG2 VAL 5 1HG2 VAL 5 -13.407 -10.140 -55.242
32 2HG2 VAL 5 2HG2 VAL 5 -13.273 -8.455 -54.735
33 3HG2 VAL 5 3HG2 VAL 5 -14.629 -9.439 -54.182
34 H2 A2G 7 H2 A2G 7 -15.932 -20.389 -56.587
35 H4 A2G 7 H4 A2G 7 -16.141 -24.388 -57.463
36 H5 A2G 7 H5 A2G 7 -14.085 -23.926 -56.247
37 H1 A2G 7 H1 A2G 7 -13.611 -20.484 -56.004
38 H3 A2G 7 H3 A2G 7 -16.648 -23.139 -55.590
39 HO4 A2G 7 HO4 A2G 7 -15.606 -22.004 -59.051
40 1H6 A2G 7 1H6 A2G 7 -12.944 -25.116 -57.796
41 2H6 A2G 7 2H6 A2G 7 -14.121 -24.690 -59.020
42 HN2 A2G 7 HN2 A2G 7 -15.699 -21.511 -53.877
43 1H8 A2G 7 1H8 A2G 7 -17.971 -20.486 -52.630
44 2H8 A2G 7 2H8 A2G 7 -16.328 -19.888 -52.332
45 3H8 A2G 7 3H8 A2G 7 -17.617 -18.755 -52.769
46 H2 A2G 10 H2 A2G 10 -10.600 -15.064 -54.587
47 H4 A2G 10 H4 A2G 10 -7.435 -17.119 -52.961
48 H5 A2G 10 H5 A2G 10 -9.259 -17.253 -51.455
49 H1 A2G 10 H1 A2G 10 -11.964 -15.460 -52.611
50 H3 A2G 10 H3 A2G 10 -9.145 -17.720 -54.365
51 HO4 A2G 10 HO4 A2G 10 -7.954 -14.302 -53.459
52 1H6 A2G 10 1H6 A2G 10 -7.034 -15.985 -50.683
53 2H6 A2G 10 2H6 A2G 10 -8.140 -14.636 -50.460
54 HN2 A2G 10 HN2 A2G 10 -11.501 -17.886 -54.662
55 1H8 A2G 10 1H8 A2G 10 -12.873 -18.410 -56.174
56 2H8 A2G 10 2H8 A2G 10 -14.181 -17.215 -56.250
57 3H8 A2G 10 3H8 A2G 10 -13.023 -17.348 -57.586
58 H2 A2G 13 H2 A2G 13 -15.565 -11.550 -50.169
59 H4 A2G 13 H4 A2G 13 -16.449 -14.410 -47.357
60 H5 A2G 13 H5 A2G 13 -17.264 -15.152 -49.456
61 H1 A2G 13 H1 A2G 13 -16.706 -12.789 -51.916
62 H3 A2G 13 H3 A2G 13 -14.642 -14.029 -48.704
63 HO4 A2G 13 HO4 A2G 13 -17.433 -11.719 -47.837
64 1H6 A2G 13 1H6 A2G 13 -19.028 -14.604 -47.480
65 2H6 A2G 13 2H6 A2G 13 -19.704 -13.562 -48.723
66 HN2 A2G 13 HN2 A2G 13 -13.920 -13.799 -51.135
67 1H8 A2G 13 1H8 A2G 13 -11.193 -11.692 -51.383
68 2H8 A2G 13 2H8 A2G 13 -11.847 -13.325 -51.605
69 3H8 A2G 13 3H8 A2G 13 -12.122 -12.085 -52.842
Start of MODEL 19
1 1H ACE 0 1H ACE 0 22.155 -13.697 11.230
2 2H ACE 0 2H ACE 0 20.586 -14.149 10.556
3 3H ACE 0 3H ACE 0 21.168 -14.921 12.034
4 H SER 1 H SER 1 20.944 -11.623 10.836
5 HA SER 1 HA SER 1 20.109 -10.597 13.405
6 1HB SER 1 1HB SER 1 20.013 -8.408 12.121
7 2HB SER 1 2HB SER 1 21.587 -9.207 12.127
8 H THR 2 H THR 2 18.195 -9.096 13.530
9 HA THR 2 HA THR 2 15.895 -10.412 12.291
10 HB THR 2 HB THR 2 14.608 -8.955 13.952
11 1HG2 THR 2 1HG2 THR 2 15.775 -11.431 14.297
12 2HG2 THR 2 2HG2 THR 2 16.250 -10.527 15.735
13 3HG2 THR 2 3HG2 THR 2 14.542 -10.691 15.319
14 H THR 3 H THR 3 13.976 -8.592 12.325
15 HA THR 3 HA THR 3 14.767 -6.689 10.250
16 HB THR 3 HB THR 3 12.183 -6.711 9.955
17 1HG2 THR 3 1HG2 THR 3 12.217 -8.701 8.632
18 2HG2 THR 3 2HG2 THR 3 13.791 -7.920 8.473
19 3HG2 THR 3 3HG2 THR 3 13.605 -9.324 9.527
20 H ALA 4 H ALA 4 13.080 -4.757 10.251
21 HA ALA 4 HA ALA 4 12.376 -3.807 12.871
22 1HB ALA 4 1HB ALA 4 13.895 -2.099 13.097
23 2HB ALA 4 2HB ALA 4 14.899 -3.268 12.240
24 3HB ALA 4 3HB ALA 4 14.145 -1.942 11.359
25 H VAL 5 H VAL 5 12.447 -0.998 11.747
26 HA VAL 5 HA VAL 5 10.511 -1.115 9.581
27 HB VAL 5 HB VAL 5 9.064 0.587 10.929
28 1HG1 VAL 5 1HG1 VAL 5 7.598 -1.149 11.615
29 2HG1 VAL 5 2HG1 VAL 5 8.424 -1.712 10.162
30 3HG1 VAL 5 3HG1 VAL 5 8.920 -2.306 11.747
31 1HG2 VAL 5 1HG2 VAL 5 10.690 0.679 12.839
32 2HG2 VAL 5 2HG2 VAL 5 9.032 0.304 13.312
33 3HG2 VAL 5 3HG2 VAL 5 10.240 -0.980 13.231
34 H2 A2G 7 H2 A2G 7 19.036 -7.270 8.243
35 H4 A2G 7 H4 A2G 7 22.369 -9.065 6.652
36 H5 A2G 7 H5 A2G 7 22.368 -9.334 9.062
37 H1 A2G 7 H1 A2G 7 19.875 -7.376 10.483
38 H3 A2G 7 H3 A2G 7 20.292 -9.838 7.278
39 HO4 A2G 7 HO4 A2G 7 21.580 -6.291 7.048
40 1H6 A2G 7 1H6 A2G 7 24.312 -7.874 7.685
41 2H6 A2G 7 2H6 A2G 7 23.973 -6.853 9.083
42 HN2 A2G 7 HN2 A2G 7 18.671 -10.027 9.220
43 1H8 A2G 7 1H8 A2G 7 16.540 -10.885 8.425
44 2H8 A2G 7 2H8 A2G 7 16.066 -9.990 9.880
45 3H8 A2G 7 3H8 A2G 7 15.228 -9.696 8.347
46 H2 A2G 10 H2 A2G 10 15.621 -5.274 15.860
47 H4 A2G 10 H4 A2G 10 18.214 -7.447 18.155
48 H5 A2G 10 H5 A2G 10 16.908 -8.954 16.871
49 H1 A2G 10 H1 A2G 10 14.585 -7.281 14.942
50 H3 A2G 10 H3 A2G 10 18.357 -6.594 16.024
51 HO4 A2G 10 HO4 A2G 10 15.935 -5.744 18.723
52 1H6 A2G 10 1H6 A2G 10 15.175 -8.530 19.341
53 2H6 A2G 10 2H6 A2G 10 15.472 -10.017 18.465
54 HN2 A2G 10 HN2 A2G 10 17.314 -6.463 13.750
55 1H8 A2G 10 1H8 A2G 10 16.290 -4.638 11.548
56 2H8 A2G 10 2H8 A2G 10 17.422 -3.416 12.156
57 3H8 A2G 10 3H8 A2G 10 17.886 -5.126 12.149
58 H2 A2G 13 H2 A2G 13 8.928 -8.529 12.281
59 H4 A2G 13 H4 A2G 13 10.927 -12.061 11.678
60 H5 A2G 13 H5 A2G 13 12.030 -10.360 10.423
61 H1 A2G 13 H1 A2G 13 10.329 -7.343 10.715
62 H3 A2G 13 H3 A2G 13 11.109 -10.392 13.233
63 HO4 A2G 13 HO4 A2G 13 8.384 -11.069 10.681
64 1H6 A2G 13 1H6 A2G 13 11.410 -10.835 8.102
65 2H6 A2G 13 2H6 A2G 13 11.286 -12.314 9.044
66 HN2 A2G 13 HN2 A2G 13 11.544 -7.910 13.501
67 1H8 A2G 13 1H8 A2G 13 10.486 -7.107 16.247
68 2H8 A2G 13 2H8 A2G 13 11.500 -6.360 14.998
69 3H8 A2G 13 3H8 A2G 13 9.980 -5.587 15.486
Start of MODEL 20
1 1H ACE 0 1H ACE 0 28.259 29.913 -6.092
2 2H ACE 0 2H ACE 0 26.829 30.863 -6.506
3 3H ACE 0 3H ACE 0 27.193 30.507 -4.815
4 H SER 1 H SER 1 29.794 30.969 -4.635
5 HA SER 1 HA SER 1 29.929 33.850 -4.656
6 1HB SER 1 1HB SER 1 31.968 33.583 -3.371
7 2HB SER 1 2HB SER 1 30.752 32.472 -2.738
8 H THR 2 H THR 2 32.132 34.839 -5.234
9 HA THR 2 HA THR 2 32.726 34.097 -8.003
10 HB THR 2 HB THR 2 33.963 36.357 -7.915
11 1HG2 THR 2 1HG2 THR 2 31.363 35.807 -8.514
12 2HG2 THR 2 2HG2 THR 2 31.205 37.066 -7.287
13 3HG2 THR 2 3HG2 THR 2 32.158 37.365 -8.741
14 H THR 3 H THR 3 35.233 35.169 -8.323
15 HA THR 3 HA THR 3 36.907 33.263 -6.849
16 HB THR 3 HB THR 3 38.544 33.839 -8.719
17 1HG2 THR 3 1HG2 THR 3 35.988 32.889 -9.935
18 2HG2 THR 3 2HG2 THR 3 37.642 32.361 -10.250
19 3HG2 THR 3 3HG2 THR 3 36.836 31.889 -8.754
20 H ALA 4 H ALA 4 39.297 34.180 -6.766
21 HA ALA 4 HA ALA 4 39.450 36.995 -6.159
22 1HB ALA 4 1HB ALA 4 39.307 36.884 -3.935
23 2HB ALA 4 2HB ALA 4 38.883 35.179 -4.076
24 3HB ALA 4 3HB ALA 4 40.568 35.655 -3.878
25 H VAL 5 H VAL 5 41.262 37.597 -7.139
26 HA VAL 5 HA VAL 5 43.456 35.705 -7.472
27 HB VAL 5 HB VAL 5 43.214 38.520 -8.565
28 1HG1 VAL 5 1HG1 VAL 5 44.881 37.669 -10.228
29 2HG1 VAL 5 2HG1 VAL 5 45.491 37.811 -8.579
30 3HG1 VAL 5 3HG1 VAL 5 45.056 36.229 -9.227
31 1HG2 VAL 5 1HG2 VAL 5 41.385 37.262 -9.456
32 2HG2 VAL 5 2HG2 VAL 5 42.622 37.341 -10.711
33 3HG2 VAL 5 3HG2 VAL 5 42.417 35.866 -9.766
34 H2 A2G 7 H2 A2G 7 34.983 30.178 -2.634
35 H4 A2G 7 H4 A2G 7 31.531 28.096 -1.728
36 H5 A2G 7 H5 A2G 7 30.986 30.323 -2.503
37 H1 A2G 7 H1 A2G 7 33.840 32.274 -2.707
38 H3 A2G 7 H3 A2G 7 32.743 28.447 -3.655
39 HO4 A2G 7 HO4 A2G 7 33.700 29.190 -0.129
40 1H6 A2G 7 1H6 A2G 7 31.113 30.562 0.536
41 2H6 A2G 7 2H6 A2G 7 29.947 31.274 -0.553
42 HN2 A2G 7 HN2 A2G 7 33.515 30.355 -5.183
43 1H8 A2G 7 1H8 A2G 7 34.656 30.285 -6.947
44 2H8 A2G 7 2H8 A2G 7 36.365 30.736 -6.809
45 3H8 A2G 7 3H8 A2G 7 35.906 29.026 -6.907
46 H2 A2G 10 H2 A2G 10 35.574 38.571 -4.615
47 H4 A2G 10 H4 A2G 10 31.737 39.538 -3.660
48 H5 A2G 10 H5 A2G 10 31.721 38.317 -5.714
49 H1 A2G 10 H1 A2G 10 34.938 37.602 -6.759
50 H3 A2G 10 H3 A2G 10 33.007 37.657 -3.279
51 HO4 A2G 10 HO4 A2G 10 34.040 41.053 -4.570
52 1H6 A2G 10 1H6 A2G 10 30.892 40.893 -5.643
53 2H6 A2G 10 2H6 A2G 10 32.092 41.035 -6.922
54 HN2 A2G 10 HN2 A2G 10 34.461 35.862 -4.246
55 1H8 A2G 10 1H8 A2G 10 37.310 35.015 -2.430
56 2H8 A2G 10 2H8 A2G 10 35.690 34.538 -2.970
57 3H8 A2G 10 3H8 A2G 10 37.057 34.475 -4.102
58 H2 A2G 13 H2 A2G 13 38.842 37.669 -10.721
59 H4 A2G 13 H4 A2G 13 36.036 36.040 -13.244
60 H5 A2G 13 H5 A2G 13 36.678 34.401 -11.664
61 H1 A2G 13 H1 A2G 13 39.141 35.553 -9.563
62 H3 A2G 13 H3 A2G 13 35.908 37.215 -11.280
63 HO4 A2G 13 HO4 A2G 13 38.760 36.987 -13.608
64 1H6 A2G 13 1H6 A2G 13 36.917 33.140 -13.557
65 2H6 A2G 13 2H6 A2G 13 38.049 34.238 -14.317
66 HN2 A2G 13 HN2 A2G 13 36.638 37.161 -8.830
67 1H8 A2G 13 1H8 A2G 13 35.992 39.271 -7.756
68 2H8 A2G 13 2H8 A2G 13 37.350 38.695 -6.772
69 3H8 A2G 13 3H8 A2G 13 37.346 40.355 -7.392
Start of MODEL 21
1 1H ACE 0 1H ACE 0 -16.839 3.426 -31.736
2 2H ACE 0 2H ACE 0 -15.448 4.426 -32.166
3 3H ACE 0 3H ACE 0 -17.046 5.160 -32.003
4 H SER 1 H SER 1 -15.474 6.487 -30.666
5 HA SER 1 HA SER 1 -16.034 5.930 -27.883
6 1HB SER 1 1HB SER 1 -13.685 6.080 -27.165
7 2HB SER 1 2HB SER 1 -13.907 4.715 -28.265
8 H THR 2 H THR 2 -14.624 7.763 -26.581
9 HA THR 2 HA THR 2 -15.468 10.281 -27.809
10 HB THR 2 HB THR 2 -14.888 11.170 -25.457
11 1HG2 THR 2 1HG2 THR 2 -17.029 9.283 -24.922
12 2HG2 THR 2 2HG2 THR 2 -17.050 11.048 -24.951
13 3HG2 THR 2 3HG2 THR 2 -17.236 10.140 -26.451
14 H THR 3 H THR 3 -13.870 12.124 -26.656
15 HA THR 3 HA THR 3 -11.263 11.563 -27.873
16 HB THR 3 HB THR 3 -11.174 14.136 -27.833
17 1HG2 THR 3 1HG2 THR 3 -11.716 12.816 -29.862
18 2HG2 THR 3 2HG2 THR 3 -13.418 12.888 -29.400
19 3HG2 THR 3 3HG2 THR 3 -12.545 14.372 -29.795
20 H ALA 4 H ALA 4 -9.481 13.008 -26.880
21 HA ALA 4 HA ALA 4 -9.699 13.440 -24.039
22 1HB ALA 4 1HB ALA 4 -7.339 11.862 -24.324
23 2HB ALA 4 2HB ALA 4 -8.760 11.548 -23.328
24 3HB ALA 4 3HB ALA 4 -8.697 10.958 -24.990
25 H VAL 5 H VAL 5 -8.784 15.375 -23.800
26 HA VAL 5 HA VAL 5 -6.649 16.214 -25.603
27 HB VAL 5 HB VAL 5 -6.924 18.454 -24.534
28 1HG1 VAL 5 1HG1 VAL 5 -9.487 17.280 -25.602
29 2HG1 VAL 5 2HG1 VAL 5 -9.023 18.982 -25.608
30 3HG1 VAL 5 3HG1 VAL 5 -8.127 17.818 -26.585
31 1HG2 VAL 5 1HG2 VAL 5 -8.794 18.884 -23.058
32 2HG2 VAL 5 2HG2 VAL 5 -9.293 17.195 -23.138
33 3HG2 VAL 5 3HG2 VAL 5 -7.778 17.632 -22.349
34 H2 A2G 7 H2 A2G 7 -9.698 6.552 -29.548
35 H4 A2G 7 H4 A2G 7 -11.543 3.892 -32.057
36 H5 A2G 7 H5 A2G 7 -13.037 4.381 -30.219
37 H1 A2G 7 H1 A2G 7 -11.332 6.268 -27.817
38 H3 A2G 7 H3 A2G 7 -11.611 6.176 -31.846
39 HO4 A2G 7 HO4 A2G 7 -9.420 3.600 -30.091
40 1H6 A2G 7 1H6 A2G 7 -13.119 2.225 -29.122
41 2H6 A2G 7 2H6 A2G 7 -12.472 1.934 -30.730
42 HN2 A2G 7 HN2 A2G 7 -12.125 8.084 -30.228
43 1H8 A2G 7 1H8 A2G 7 -11.792 10.311 -29.937
44 2H8 A2G 7 2H8 A2G 7 -10.162 10.998 -30.021
45 3H8 A2G 7 3H8 A2G 7 -10.945 10.395 -31.492
46 H2 A2G 10 H2 A2G 10 -12.169 9.499 -22.612
47 H4 A2G 10 H4 A2G 10 -15.168 6.857 -21.741
48 H5 A2G 10 H5 A2G 10 -16.065 8.507 -23.178
49 H1 A2G 10 H1 A2G 10 -13.648 10.860 -23.991
50 H3 A2G 10 H3 A2G 10 -13.573 6.912 -23.389
51 HO4 A2G 10 HO4 A2G 10 -13.713 8.837 -20.195
52 1H6 A2G 10 1H6 A2G 10 -16.922 8.401 -20.599
53 2H6 A2G 10 2H6 A2G 10 -16.439 10.092 -20.661
54 HN2 A2G 10 HN2 A2G 10 -12.544 8.107 -25.195
55 1H8 A2G 10 1H8 A2G 10 -10.865 8.021 -26.475
56 2H8 A2G 10 2H8 A2G 10 -10.097 9.617 -26.584
57 3H8 A2G 10 3H8 A2G 10 -9.259 8.282 -25.771
58 H2 A2G 13 H2 A2G 13 -13.567 17.045 -25.576
59 H4 A2G 13 H4 A2G 13 -16.491 16.087 -28.287
60 H5 A2G 13 H5 A2G 13 -14.520 14.844 -28.819
61 H1 A2G 13 H1 A2G 13 -11.889 15.774 -26.773
62 H3 A2G 13 H3 A2G 13 -15.837 15.192 -26.280
63 HO4 A2G 13 HO4 A2G 13 -14.880 18.464 -27.840
64 1H6 A2G 13 1H6 A2G 13 -15.336 17.038 -30.491
65 2H6 A2G 13 2H6 A2G 13 -13.585 16.956 -30.559
66 HN2 A2G 13 HN2 A2G 13 -13.873 14.165 -25.043
67 1H8 A2G 13 1H8 A2G 13 -14.447 13.763 -22.777
68 2H8 A2G 13 2H8 A2G 13 -12.704 14.015 -22.575
69 3H8 A2G 13 3H8 A2G 13 -13.852 14.919 -21.572
Start of MODEL 22
1 1H ACE 0 1H ACE 0 1.529 50.743 -8.447
2 2H ACE 0 2H ACE 0 3.231 51.188 -8.295
3 3H ACE 0 3H ACE 0 2.380 50.469 -6.924
4 H SER 1 H SER 1 4.700 49.439 -7.713
5 HA SER 1 HA SER 1 4.337 47.221 -9.520
6 1HB SER 1 1HB SER 1 6.666 46.664 -8.963
7 2HB SER 1 2HB SER 1 6.514 48.378 -9.349
8 H THR 2 H THR 2 5.644 45.133 -8.368
9 HA THR 2 HA THR 2 3.697 44.255 -6.374
10 HB THR 2 HB THR 2 4.803 41.982 -6.885
11 1HG2 THR 2 1HG2 THR 2 2.959 41.768 -8.086
12 2HG2 THR 2 2HG2 THR 2 2.919 43.494 -8.441
13 3HG2 THR 2 3HG2 THR 2 3.855 42.406 -9.465
14 H THR 3 H THR 3 5.148 42.200 -5.179
15 HA THR 3 HA THR 3 6.917 43.695 -3.399
16 HB THR 3 HB THR 3 6.519 41.564 -1.974
17 1HG2 THR 3 1HG2 THR 3 3.985 43.026 -2.588
18 2HG2 THR 3 2HG2 THR 3 4.548 42.387 -1.042
19 3HG2 THR 3 3HG2 THR 3 5.315 43.817 -1.739
20 H ALA 4 H ALA 4 8.968 42.846 -2.819
21 HA ALA 4 HA ALA 4 10.154 41.238 -4.893
22 1HB ALA 4 1HB ALA 4 11.193 43.334 -3.871
23 2HB ALA 4 2HB ALA 4 11.560 42.337 -2.464
24 3HB ALA 4 3HB ALA 4 12.249 41.933 -4.037
25 H VAL 5 H VAL 5 12.184 40.301 -2.819
26 HA VAL 5 HA VAL 5 10.810 37.806 -2.209
27 HB VAL 5 HB VAL 5 13.110 37.011 -1.529
28 1HG1 VAL 5 1HG1 VAL 5 13.914 36.789 -3.830
29 2HG1 VAL 5 2HG1 VAL 5 12.176 36.512 -3.716
30 3HG1 VAL 5 3HG1 VAL 5 12.787 38.043 -4.344
31 1HG2 VAL 5 1HG2 VAL 5 15.046 38.303 -2.108
32 2HG2 VAL 5 2HG2 VAL 5 14.054 39.563 -2.843
33 3HG2 VAL 5 3HG2 VAL 5 14.016 39.315 -1.098
34 H2 A2G 7 H2 A2G 7 9.631 48.341 -5.759
35 H4 A2G 7 H4 A2G 7 7.979 51.896 -7.057
36 H5 A2G 7 H5 A2G 7 6.925 50.046 -8.187
37 H1 A2G 7 H1 A2G 7 8.645 47.099 -7.548
38 H3 A2G 7 H3 A2G 7 7.422 50.360 -5.426
39 HO4 A2G 7 HO4 A2G 7 10.581 50.640 -7.382
40 1H6 A2G 7 1H6 A2G 7 9.207 50.938 -10.014
41 2H6 A2G 7 2H6 A2G 7 7.606 50.423 -10.481
42 HN2 A2G 7 HN2 A2G 7 6.779 47.911 -5.148
43 1H8 A2G 7 1H8 A2G 7 7.406 47.220 -1.979
44 2H8 A2G 7 2H8 A2G 7 6.319 46.920 -3.347
45 3H8 A2G 7 3H8 A2G 7 7.529 45.706 -2.894
46 H2 A2G 10 H2 A2G 10 8.915 41.472 -8.083
47 H4 A2G 10 H4 A2G 10 7.521 42.030 -11.835
48 H5 A2G 10 H5 A2G 10 5.623 41.870 -10.406
49 H1 A2G 10 H1 A2G 10 6.657 41.404 -7.113
50 H3 A2G 10 H3 A2G 10 7.989 43.514 -10.141
51 HO4 A2G 10 HO4 A2G 10 8.671 39.745 -10.459
52 1H6 A2G 10 1H6 A2G 10 4.754 39.616 -10.798
53 2H6 A2G 10 2H6 A2G 10 5.677 40.118 -12.205
54 HN2 A2G 10 HN2 A2G 10 7.803 44.190 -7.741
55 1H8 A2G 10 1H8 A2G 10 8.709 45.401 -6.269
56 2H8 A2G 10 2H8 A2G 10 9.659 44.614 -4.998
57 3H8 A2G 10 3H8 A2G 10 10.474 45.325 -6.403
58 H2 A2G 13 H2 A2G 13 5.002 37.641 -3.119
59 H4 A2G 13 H4 A2G 13 1.431 39.647 -3.573
60 H5 A2G 13 H5 A2G 13 3.000 41.138 -2.642
61 H1 A2G 13 H1 A2G 13 6.032 39.584 -2.084
62 H3 A2G 13 H3 A2G 13 3.223 39.250 -4.954
63 HO4 A2G 13 HO4 A2G 13 2.278 37.502 -1.809
64 1H6 A2G 13 1H6 A2G 13 2.128 39.964 -0.020
65 2H6 A2G 13 2H6 A2G 13 2.041 41.617 -0.602
66 HN2 A2G 13 HN2 A2G 13 5.474 39.534 -5.335
67 1H8 A2G 13 1H8 A2G 13 6.957 38.882 -6.779
68 2H8 A2G 13 2H8 A2G 13 8.423 38.863 -5.784
69 3H8 A2G 13 3H8 A2G 13 7.864 37.373 -6.559
Start of MODEL 23
1 1H ACE 0 1H ACE 0 21.312 38.038 -20.286
2 2H ACE 0 2H ACE 0 22.948 37.451 -19.979
3 3H ACE 0 3H ACE 0 22.646 38.565 -21.316
4 H SER 1 H SER 1 21.873 40.657 -20.823
5 HA SER 1 HA SER 1 23.319 41.852 -18.631
6 1HB SER 1 1HB SER 1 22.457 43.999 -19.635
7 2HB SER 1 2HB SER 1 23.391 42.996 -20.745
8 H THR 2 H THR 2 22.022 43.875 -17.626
9 HA THR 2 HA THR 2 19.758 42.653 -16.236
10 HB THR 2 HB THR 2 20.043 44.695 -14.714
11 1HG2 THR 2 1HG2 THR 2 22.592 43.645 -14.241
12 2HG2 THR 2 2HG2 THR 2 21.077 43.220 -13.442
13 3HG2 THR 2 3HG2 THR 2 21.614 42.309 -14.853
14 H THR 3 H THR 3 18.369 44.829 -15.353
15 HA THR 3 HA THR 3 17.055 45.751 -17.803
16 HB THR 3 HB THR 3 15.204 46.304 -16.114
17 1HG2 THR 3 1HG2 THR 3 14.381 44.090 -15.977
18 2HG2 THR 3 2HG2 THR 3 15.256 44.212 -17.505
19 3HG2 THR 3 3HG2 THR 3 16.003 43.412 -16.120
20 H ALA 4 H ALA 4 15.840 47.948 -17.339
21 HA ALA 4 HA ALA 4 17.376 49.811 -15.774
22 1HB ALA 4 1HB ALA 4 17.062 50.696 -18.580
23 2HB ALA 4 2HB ALA 4 18.391 50.963 -17.451
24 3HB ALA 4 3HB ALA 4 18.251 49.427 -18.306
25 H VAL 5 H VAL 5 16.282 52.035 -17.463
26 HA VAL 5 HA VAL 5 13.622 52.094 -16.282
27 HB VAL 5 HB VAL 5 15.100 54.301 -17.741
28 1HG1 VAL 5 1HG1 VAL 5 12.778 54.784 -17.728
29 2HG1 VAL 5 2HG1 VAL 5 12.614 54.289 -16.043
30 3HG1 VAL 5 3HG1 VAL 5 13.505 55.756 -16.450
31 1HG2 VAL 5 1HG2 VAL 5 16.397 53.719 -15.815
32 2HG2 VAL 5 2HG2 VAL 5 15.504 55.189 -15.422
33 3HG2 VAL 5 3HG2 VAL 5 14.959 53.632 -14.799
34 H2 A2G 7 H2 A2G 7 19.719 45.227 -22.908
35 H4 A2G 7 H4 A2G 7 20.957 42.006 -25.116
36 H5 A2G 7 H5 A2G 7 22.121 42.015 -22.970
37 H1 A2G 7 H1 A2G 7 21.519 45.052 -21.353
38 H3 A2G 7 H3 A2G 7 19.422 42.287 -23.423
39 HO4 A2G 7 HO4 A2G 7 21.520 44.856 -25.254
40 1H6 A2G 7 1H6 A2G 7 24.458 42.947 -23.785
41 2H6 A2G 7 2H6 A2G 7 23.768 41.543 -24.574
42 HN2 A2G 7 HN2 A2G 7 19.065 43.006 -21.088
43 1H8 A2G 7 1H8 A2G 7 17.407 43.299 -19.807
44 2H8 A2G 7 2H8 A2G 7 16.664 44.903 -19.676
45 3H8 A2G 7 3H8 A2G 7 16.026 43.724 -20.835
46 H2 A2G 10 H2 A2G 10 21.447 48.575 -15.796
47 H4 A2G 10 H4 A2G 10 25.172 47.031 -15.329
48 H5 A2G 10 H5 A2G 10 23.639 45.424 -14.543
49 H1 A2G 10 H1 A2G 10 20.384 46.574 -14.869
50 H3 A2G 10 H3 A2G 10 23.662 46.930 -17.059
51 HO4 A2G 10 HO4 A2G 10 23.703 49.193 -14.056
52 1H6 A2G 10 1H6 A2G 10 25.191 46.849 -12.721
53 2H6 A2G 10 2H6 A2G 10 23.610 46.839 -11.950
54 HN2 A2G 10 HN2 A2G 10 21.282 46.396 -17.777
55 1H8 A2G 10 1H8 A2G 10 20.347 46.902 -19.647
56 2H8 A2G 10 2H8 A2G 10 18.800 47.629 -19.166
57 3H8 A2G 10 3H8 A2G 10 19.995 48.590 -20.061
58 H2 A2G 13 H2 A2G 13 15.724 47.245 -11.895
59 H4 A2G 13 H4 A2G 13 15.659 43.167 -11.470
60 H5 A2G 13 H5 A2G 13 15.197 43.673 -13.740
61 H1 A2G 13 H1 A2G 13 15.140 47.096 -14.256
62 H3 A2G 13 H3 A2G 13 17.317 44.674 -11.914
63 HO4 A2G 13 HO4 A2G 13 13.869 45.280 -10.590
64 1H6 A2G 13 1H6 A2G 13 12.351 43.974 -12.933
65 2H6 A2G 13 2H6 A2G 13 13.121 42.743 -13.919
66 HN2 A2G 13 HN2 A2G 13 18.195 46.346 -13.233
67 1H8 A2G 13 1H8 A2G 13 19.624 49.370 -12.403
68 2H8 A2G 13 2H8 A2G 13 19.835 47.764 -13.121
69 3H8 A2G 13 3H8 A2G 13 19.188 49.095 -14.098
Start of MODEL 24
1 1H ACE 0 1H ACE 0 -25.648 19.796 3.155
2 2H ACE 0 2H ACE 0 -25.729 20.609 4.720
3 3H ACE 0 3H ACE 0 -24.514 19.359 4.437
4 H SER 1 H SER 1 -23.198 19.789 2.419
5 HA SER 1 HA SER 1 -21.848 22.313 2.793
6 1HB SER 1 1HB SER 1 -20.101 21.408 1.468
7 2HB SER 1 2HB SER 1 -20.727 20.037 2.387
8 H THR 2 H THR 2 -21.192 23.659 0.927
9 HA THR 2 HA THR 2 -23.479 24.065 -0.853
10 HB THR 2 HB THR 2 -22.194 26.229 -1.397
11 1HG2 THR 2 1HG2 THR 2 -24.058 25.726 0.523
12 2HG2 THR 2 2HG2 THR 2 -22.748 26.446 1.460
13 3HG2 THR 2 3HG2 THR 2 -23.439 27.321 0.092
14 H THR 3 H THR 3 -22.388 25.363 -2.963
15 HA THR 3 HA THR 3 -20.883 23.237 -4.299
16 HB THR 3 HB THR 3 -21.733 24.485 -6.363
17 1HG2 THR 3 1HG2 THR 3 -23.690 23.342 -6.410
18 2HG2 THR 3 2HG2 THR 3 -22.969 22.549 -5.008
19 3HG2 THR 3 3HG2 THR 3 -24.142 23.850 -4.781
20 H ALA 4 H ALA 4 -19.489 24.192 -6.152
21 HA ALA 4 HA ALA 4 -18.271 26.739 -5.589
22 1HB ALA 4 1HB ALA 4 -17.100 24.310 -4.579
23 2HB ALA 4 2HB ALA 4 -16.021 25.080 -5.741
24 3HB ALA 4 3HB ALA 4 -16.594 25.980 -4.340
25 H VAL 5 H VAL 5 -18.240 27.600 -7.545
26 HA VAL 5 HA VAL 5 -16.855 26.224 -9.700
27 HB VAL 5 HB VAL 5 -18.792 27.045 -11.275
28 1HG1 VAL 5 1HG1 VAL 5 -18.018 24.715 -10.962
29 2HG1 VAL 5 2HG1 VAL 5 -19.153 24.551 -9.621
30 3HG1 VAL 5 3HG1 VAL 5 -19.751 24.841 -11.255
31 1HG2 VAL 5 1HG2 VAL 5 -20.379 26.453 -8.774
32 2HG2 VAL 5 2HG2 VAL 5 -20.053 28.085 -9.357
33 3HG2 VAL 5 3HG2 VAL 5 -20.994 26.966 -10.343
34 H2 A2G 7 H2 A2G 7 -19.887 18.013 -1.786
35 H4 A2G 7 H4 A2G 7 -22.619 16.204 0.697
36 H5 A2G 7 H5 A2G 7 -21.985 18.333 1.625
37 H1 A2G 7 H1 A2G 7 -19.314 19.673 -0.157
38 H3 A2G 7 H3 A2G 7 -22.782 17.730 -1.013
39 HO4 A2G 7 HO4 A2G 7 -19.819 15.685 0.117
40 1H6 A2G 7 1H6 A2G 7 -19.897 16.779 3.045
41 2H6 A2G 7 2H6 A2G 7 -21.346 17.549 3.669
42 HN2 A2G 7 HN2 A2G 7 -22.013 20.052 -1.717
43 1H8 A2G 7 1H8 A2G 7 -22.423 21.072 -3.512
44 2H8 A2G 7 2H8 A2G 7 -21.035 21.226 -4.605
45 3H8 A2G 7 3H8 A2G 7 -22.335 20.080 -4.979
46 H2 A2G 10 H2 A2G 10 -18.072 27.350 -0.904
47 H4 A2G 10 H4 A2G 10 -18.768 27.427 3.087
48 H5 A2G 10 H5 A2G 10 -20.864 27.070 1.986
49 H1 A2G 10 H1 A2G 10 -20.444 27.114 -1.473
50 H3 A2G 10 H3 A2G 10 -18.415 25.689 1.617
51 HO4 A2G 10 HO4 A2G 10 -18.197 29.498 1.135
52 1H6 A2G 10 1H6 A2G 10 -21.988 29.260 2.184
53 2H6 A2G 10 2H6 A2G 10 -20.882 28.997 3.523
54 HN2 A2G 10 HN2 A2G 10 -19.006 24.568 -0.560
55 1H8 A2G 10 1H8 A2G 10 -17.474 23.042 -1.428
56 2H8 A2G 10 2H8 A2G 10 -18.160 23.515 -2.995
57 3H8 A2G 10 3H8 A2G 10 -16.405 23.564 -2.742
58 H2 A2G 13 H2 A2G 13 -22.897 28.568 -6.893
59 H4 A2G 13 H4 A2G 13 -26.407 27.597 -4.922
60 H5 A2G 13 H5 A2G 13 -25.025 25.653 -5.119
61 H1 A2G 13 H1 A2G 13 -22.272 26.271 -7.100
62 H3 A2G 13 H3 A2G 13 -24.337 28.355 -4.271
63 HO4 A2G 13 HO4 A2G 13 -25.808 28.369 -7.662
64 1H6 A2G 13 1H6 A2G 13 -27.119 24.864 -5.725
65 2H6 A2G 13 2H6 A2G 13 -27.258 25.867 -7.146
66 HN2 A2G 13 HN2 A2G 13 -22.122 27.900 -4.137
67 1H8 A2G 13 1H8 A2G 13 -20.303 28.707 -3.446
68 2H8 A2G 13 2H8 A2G 13 -19.006 28.409 -4.617
69 3H8 A2G 13 3H8 A2G 13 -19.589 30.059 -4.346
Start of MODEL 25
1 1H ACE 0 1H ACE 0 23.582 0.619 -0.135
2 2H ACE 0 2H ACE 0 25.247 0.595 0.452
3 3H ACE 0 3H ACE 0 23.965 1.270 1.461
4 H SER 1 H SER 1 25.943 -1.192 1.205
5 HA SER 1 HA SER 1 24.182 -3.416 1.728
6 1HB SER 1 1HB SER 1 26.168 -4.753 1.865
7 2HB SER 1 2HB SER 1 26.408 -3.611 0.541
8 H THR 2 H THR 2 24.376 -4.747 3.687
9 HA THR 2 HA THR 2 24.464 -3.031 6.049
10 HB THR 2 HB THR 2 23.382 -5.136 7.106
11 1HG2 THR 2 1HG2 THR 2 22.188 -3.026 6.300
12 2HG2 THR 2 2HG2 THR 2 21.729 -3.997 4.901
13 3HG2 THR 2 3HG2 THR 2 21.243 -4.499 6.521
14 H THR 3 H THR 3 24.880 -5.137 7.966
15 HA THR 3 HA THR 3 27.774 -5.430 7.717
16 HB THR 3 HB THR 3 27.465 -6.084 10.208
17 1HG2 THR 3 1HG2 THR 3 27.222 -3.765 10.962
18 2HG2 THR 3 2HG2 THR 3 28.366 -3.911 9.627
19 3HG2 THR 3 3HG2 THR 3 26.738 -3.295 9.333
20 H ALA 4 H ALA 4 28.788 -7.437 7.976
21 HA ALA 4 HA ALA 4 27.134 -9.681 7.269
22 1HB ALA 4 1HB ALA 4 29.424 -9.092 6.260
23 2HB ALA 4 2HB ALA 4 30.105 -9.779 7.735
24 3HB ALA 4 3HB ALA 4 29.123 -10.781 6.665
25 H VAL 5 H VAL 5 29.200 -11.467 8.626
26 HA VAL 5 HA VAL 5 28.505 -11.171 11.438
27 HB VAL 5 HB VAL 5 27.816 -13.690 9.896
28 1HG1 VAL 5 1HG1 VAL 5 27.631 -13.001 12.820
29 2HG1 VAL 5 2HG1 VAL 5 26.751 -14.342 12.088
30 3HG1 VAL 5 3HG1 VAL 5 28.515 -14.327 12.067
31 1HG2 VAL 5 1HG2 VAL 5 26.164 -12.022 9.413
32 2HG2 VAL 5 2HG2 VAL 5 25.469 -13.127 10.598
33 3HG2 VAL 5 3HG2 VAL 5 26.065 -11.547 11.106
34 H2 A2G 7 H2 A2G 7 30.702 -3.837 2.474
35 H4 A2G 7 H4 A2G 7 29.859 -0.376 0.416
36 H5 A2G 7 H5 A2G 7 27.854 -1.698 0.622
37 H1 A2G 7 H1 A2G 7 28.630 -4.860 1.854
38 H3 A2G 7 H3 A2G 7 29.695 -1.007 2.623
39 HO4 A2G 7 HO4 A2G 7 31.322 -2.800 -0.260
40 1H6 A2G 7 1H6 A2G 7 29.173 -1.238 -1.860
41 2H6 A2G 7 2H6 A2G 7 28.487 -2.855 -1.976
42 HN2 A2G 7 HN2 A2G 7 28.562 -2.688 4.143
43 1H8 A2G 7 1H8 A2G 7 30.466 -2.847 6.884
44 2H8 A2G 7 2H8 A2G 7 28.816 -2.789 6.238
45 3H8 A2G 7 3H8 A2G 7 29.534 -4.344 6.699
46 H2 A2G 10 H2 A2G 10 23.431 -9.242 5.838
47 H4 A2G 10 H4 A2G 10 20.624 -8.061 3.117
48 H5 A2G 10 H5 A2G 10 21.105 -6.202 4.528
49 H1 A2G 10 H1 A2G 10 23.386 -7.095 6.982
50 H3 A2G 10 H3 A2G 10 22.920 -7.991 3.119
51 HO4 A2G 10 HO4 A2G 10 20.550 -9.801 5.444
52 1H6 A2G 10 1H6 A2G 10 19.066 -7.240 6.401
53 2H6 A2G 10 2H6 A2G 10 19.006 -5.859 5.322
54 HN2 A2G 10 HN2 A2G 10 24.960 -7.215 4.319
55 1H8 A2G 10 1H8 A2G 10 27.013 -8.060 3.623
56 2H8 A2G 10 2H8 A2G 10 27.520 -7.758 5.294
57 3H8 A2G 10 3H8 A2G 10 27.770 -9.356 4.567
58 H2 A2G 13 H2 A2G 13 23.912 -7.570 12.181
59 H4 A2G 13 H4 A2G 13 22.832 -3.636 12.298
60 H5 A2G 13 H5 A2G 13 25.041 -3.743 11.436
61 H1 A2G 13 H1 A2G 13 26.131 -7.046 11.327
62 H3 A2G 13 H3 A2G 13 22.619 -5.265 10.708
63 HO4 A2G 13 HO4 A2G 13 23.569 -5.547 14.361
64 1H6 A2G 13 1H6 A2G 13 26.279 -2.705 13.127
65 2H6 A2G 13 2H6 A2G 13 24.655 -2.536 13.768
66 HN2 A2G 13 HN2 A2G 13 23.855 -6.996 9.287
67 1H8 A2G 13 1H8 A2G 13 22.153 -8.581 8.244
68 2H8 A2G 13 2H8 A2G 13 23.761 -9.324 8.217
69 3H8 A2G 13 3H8 A2G 13 22.378 -10.230 8.854
Start of MODEL 26
1 1H ACE 0 1H ACE 0 -1.031 -11.595 -22.932
2 2H ACE 0 2H ACE 0 0.409 -11.655 -21.910
3 3H ACE 0 3H ACE 0 0.570 -11.715 -23.667
4 H SER 1 H SER 1 -1.375 -9.729 -21.530
5 HA SER 1 HA SER 1 0.164 -7.334 -22.025
6 1HB SER 1 1HB SER 1 -1.568 -6.098 -23.148
7 2HB SER 1 2HB SER 1 -1.353 -7.606 -24.040
8 H THR 2 H THR 2 -0.482 -5.567 -20.690
9 HA THR 2 HA THR 2 -1.986 -6.427 -18.329
10 HB THR 2 HB THR 2 -1.005 -4.223 -17.391
11 1HG2 THR 2 1HG2 THR 2 0.072 -6.794 -17.528
12 2HG2 THR 2 2HG2 THR 2 1.397 -5.694 -17.911
13 3HG2 THR 2 3HG2 THR 2 0.499 -5.503 -16.405
14 H THR 3 H THR 3 -2.752 -3.935 -17.318
15 HA THR 3 HA THR 3 -4.965 -3.272 -19.115
16 HB THR 3 HB THR 3 -5.865 -2.231 -16.938
17 1HG2 THR 3 1HG2 THR 3 -6.787 -4.207 -16.185
18 2HG2 THR 3 2HG2 THR 3 -6.379 -4.599 -17.857
19 3HG2 THR 3 3HG2 THR 3 -5.330 -5.136 -16.542
20 H ALA 4 H ALA 4 -5.753 -0.906 -18.747
21 HA ALA 4 HA ALA 4 -3.629 0.991 -18.271
22 1HB ALA 4 1HB ALA 4 -3.131 1.555 -20.379
23 2HB ALA 4 2HB ALA 4 -3.955 0.073 -20.864
24 3HB ALA 4 3HB ALA 4 -4.829 1.603 -20.851
25 H VAL 5 H VAL 5 -4.572 2.462 -17.027
26 HA VAL 5 HA VAL 5 -7.055 3.711 -17.883
27 HB VAL 5 HB VAL 5 -7.822 3.564 -15.377
28 1HG1 VAL 5 1HG1 VAL 5 -9.401 2.054 -16.024
29 2HG1 VAL 5 2HG1 VAL 5 -8.750 2.496 -17.602
30 3HG1 VAL 5 3HG1 VAL 5 -8.235 1.000 -16.821
31 1HG2 VAL 5 1HG2 VAL 5 -6.396 0.916 -15.575
32 2HG2 VAL 5 2HG2 VAL 5 -5.677 2.312 -14.772
33 3HG2 VAL 5 3HG2 VAL 5 -7.190 1.633 -14.174
34 H2 A2G 7 H2 A2G 7 -6.008 -7.316 -24.292
35 H4 A2G 7 H4 A2G 7 -4.631 -11.175 -24.045
36 H5 A2G 7 H5 A2G 7 -2.791 -9.628 -23.639
37 H1 A2G 7 H1 A2G 7 -3.806 -6.386 -24.421
38 H3 A2G 7 H3 A2G 7 -5.301 -9.622 -22.479
39 HO4 A2G 7 HO4 A2G 7 -5.386 -9.469 -26.277
40 1H6 A2G 7 1H6 A2G 7 -2.064 -9.762 -26.421
41 2H6 A2G 7 2H6 A2G 7 -1.503 -10.777 -25.107
42 HN2 A2G 7 HN2 A2G 7 -4.844 -7.280 -21.585
43 1H8 A2G 7 1H8 A2G 7 -6.639 -4.832 -20.705
44 2H8 A2G 7 2H8 A2G 7 -7.729 -6.157 -20.261
45 3H8 A2G 7 3H8 A2G 7 -5.979 -6.345 -20.058
46 H2 A2G 10 H2 A2G 10 0.213 -0.754 -19.588
47 H4 A2G 10 H4 A2G 10 3.648 -2.765 -20.300
48 H5 A2G 10 H5 A2G 10 2.406 -4.030 -18.704
49 H1 A2G 10 H1 A2G 10 -0.598 -2.432 -18.000
50 H3 A2G 10 H3 A2G 10 1.569 -2.888 -21.276
51 HO4 A2G 10 HO4 A2G 10 3.047 -0.366 -18.786
52 1H6 A2G 10 1H6 A2G 10 3.317 -2.943 -16.391
53 2H6 A2G 10 2H6 A2G 10 4.339 -3.870 -17.468
54 HN2 A2G 10 HN2 A2G 10 -0.936 -3.109 -20.954
55 1H8 A2G 10 1H8 A2G 10 -3.658 -1.846 -21.371
56 2H8 A2G 10 2H8 A2G 10 -2.977 -1.011 -22.781
57 3H8 A2G 10 3H8 A2G 10 -2.485 -2.675 -22.414
58 H2 A2G 13 H2 A2G 13 -3.706 -0.875 -13.444
59 H4 A2G 13 H4 A2G 13 -3.451 -4.878 -12.521
60 H5 A2G 13 H5 A2G 13 -4.797 -4.642 -14.454
61 H1 A2G 13 H1 A2G 13 -5.238 -1.309 -15.264
62 H3 A2G 13 H3 A2G 13 -2.168 -3.448 -13.767
63 HO4 A2G 13 HO4 A2G 13 -4.756 -2.627 -11.231
64 1H6 A2G 13 1H6 A2G 13 -5.875 -5.619 -12.184
65 2H6 A2G 13 2H6 A2G 13 -7.003 -4.297 -12.436
66 HN2 A2G 13 HN2 A2G 13 -2.015 -2.050 -15.557
67 1H8 A2G 13 1H8 A2G 13 -0.689 -0.743 -16.549
68 2H8 A2G 13 2H8 A2G 13 -1.553 0.705 -17.096
69 3H8 A2G 13 3H8 A2G 13 -0.339 0.830 -15.810
Start of MODEL 27
1 1H ACE 0 1H ACE 0 33.441 26.769 -11.537
2 2H ACE 0 2H ACE 0 31.932 25.899 -11.245
3 3H ACE 0 3H ACE 0 33.398 25.442 -10.372
4 H SER 1 H SER 1 31.726 25.703 -8.666
5 HA SER 1 HA SER 1 32.212 28.176 -7.273
6 1HB SER 1 1HB SER 1 29.838 28.727 -6.943
7 2HB SER 1 2HB SER 1 30.248 28.745 -8.660
8 H THR 2 H THR 2 30.406 28.000 -5.239
9 HA THR 2 HA THR 2 31.218 25.510 -3.938
10 HB THR 2 HB THR 2 30.226 26.798 -1.891
11 1HG2 THR 2 1HG2 THR 2 32.431 28.469 -2.615
12 2HG2 THR 2 2HG2 THR 2 32.314 27.230 -1.363
13 3HG2 THR 2 3HG2 THR 2 32.772 26.782 -3.006
14 H THR 3 H THR 3 29.028 25.588 -1.973
15 HA THR 3 HA THR 3 26.958 24.365 -3.618
16 HB THR 3 HB THR 3 26.245 23.535 -1.248
17 1HG2 THR 3 1HG2 THR 3 27.646 22.333 -3.151
18 2HG2 THR 3 2HG2 THR 3 28.910 22.443 -1.922
19 3HG2 THR 3 3HG2 THR 3 27.398 21.606 -1.561
20 H ALA 4 H ALA 4 24.750 24.856 -3.288
21 HA ALA 4 HA ALA 4 24.327 27.574 -2.451
22 1HB ALA 4 1HB ALA 4 23.352 26.451 -4.551
23 2HB ALA 4 2HB ALA 4 22.189 25.708 -3.452
24 3HB ALA 4 3HB ALA 4 22.275 27.465 -3.593
25 H VAL 5 H VAL 5 21.453 26.798 -1.801
26 HA VAL 5 HA VAL 5 21.748 25.485 0.777
27 HB VAL 5 HB VAL 5 20.376 27.406 1.834
28 1HG1 VAL 5 1HG1 VAL 5 22.758 26.787 2.334
29 2HG1 VAL 5 2HG1 VAL 5 23.249 28.030 1.182
30 3HG1 VAL 5 3HG1 VAL 5 22.341 28.474 2.628
31 1HG2 VAL 5 1HG2 VAL 5 20.756 29.622 0.901
32 2HG2 VAL 5 2HG2 VAL 5 21.671 28.927 -0.438
33 3HG2 VAL 5 3HG2 VAL 5 19.944 28.602 -0.285
34 H2 A2G 7 H2 A2G 7 25.985 26.829 -8.931
35 H4 A2G 7 H4 A2G 7 28.588 26.039 -12.004
36 H5 A2G 7 H5 A2G 7 29.788 27.183 -10.239
37 H1 A2G 7 H1 A2G 7 27.497 28.336 -7.852
38 H3 A2G 7 H3 A2G 7 28.055 24.955 -10.048
39 HO4 A2G 7 HO4 A2G 7 26.485 28.024 -11.685
40 1H6 A2G 7 1H6 A2G 7 30.287 29.319 -11.320
41 2H6 A2G 7 2H6 A2G 7 29.979 28.133 -12.580
42 HN2 A2G 7 HN2 A2G 7 28.042 25.265 -7.504
43 1H8 A2G 7 1H8 A2G 7 27.331 23.696 -6.212
44 2H8 A2G 7 2H8 A2G 7 26.046 24.433 -5.239
45 3H8 A2G 7 3H8 A2G 7 25.664 23.108 -6.350
46 H2 A2G 10 H2 A2G 10 27.342 29.949 -1.941
47 H4 A2G 10 H4 A2G 10 30.470 32.408 -2.819
48 H5 A2G 10 H5 A2G 10 31.342 30.242 -2.385
49 H1 A2G 10 H1 A2G 10 28.808 28.050 -1.505
50 H3 A2G 10 H3 A2G 10 29.171 31.027 -4.116
51 HO4 A2G 10 HO4 A2G 10 28.653 32.166 -0.560
52 1H6 A2G 10 1H6 A2G 10 31.820 32.319 -0.635
53 2H6 A2G 10 2H6 A2G 10 31.365 31.041 0.480
54 HN2 A2G 10 HN2 A2G 10 28.251 28.747 -4.481
55 1H8 A2G 10 1H8 A2G 10 26.059 28.761 -5.993
56 2H8 A2G 10 2H8 A2G 10 26.499 27.229 -5.218
57 3H8 A2G 10 3H8 A2G 10 24.849 27.859 -5.063
58 H2 A2G 13 H2 A2G 13 27.323 25.251 2.555
59 H4 A2G 13 H4 A2G 13 30.955 23.554 1.890
60 H5 A2G 13 H5 A2G 13 29.466 22.683 0.274
61 H1 A2G 13 H1 A2G 13 26.326 24.114 0.626
62 H3 A2G 13 H3 A2G 13 29.990 25.480 1.131
63 HO4 A2G 13 HO4 A2G 13 28.946 23.143 3.942
64 1H6 A2G 13 1H6 A2G 13 28.727 20.436 1.211
65 2H6 A2G 13 2H6 A2G 13 30.418 20.822 1.466
66 HN2 A2G 13 HN2 A2G 13 28.045 26.584 0.016
67 1H8 A2G 13 1H8 A2G 13 26.915 29.582 1.346
68 2H8 A2G 13 2H8 A2G 13 27.597 28.737 -0.051
69 3H8 A2G 13 3H8 A2G 13 25.853 28.700 0.236
Start of MODEL 28
1 1H ACE 0 1H ACE 0 0.066 -19.856 -22.825
2 2H ACE 0 2H ACE 0 -1.565 -20.501 -22.615
3 3H ACE 0 3H ACE 0 -0.454 -20.447 -21.243
4 H SER 1 H SER 1 -1.490 -18.217 -23.756
5 HA SER 1 HA SER 1 -1.574 -15.990 -21.927
6 1HB SER 1 1HB SER 1 -2.111 -14.645 -23.879
7 2HB SER 1 2HB SER 1 -0.795 -15.749 -24.282
8 H THR 2 H THR 2 -3.559 -14.453 -22.264
9 HA THR 2 HA THR 2 -5.913 -15.990 -21.453
10 HB THR 2 HB THR 2 -6.711 -13.594 -20.829
11 1HG2 THR 2 1HG2 THR 2 -4.465 -13.819 -19.099
12 2HG2 THR 2 2HG2 THR 2 -6.161 -14.180 -18.775
13 3HG2 THR 2 3HG2 THR 2 -5.103 -15.431 -19.429
14 H THR 3 H THR 3 -7.903 -14.062 -22.045
15 HA THR 3 HA THR 3 -8.115 -14.408 -24.943
16 HB THR 3 HB THR 3 -10.565 -13.854 -24.454
17 1HG2 THR 3 1HG2 THR 3 -9.595 -16.213 -24.637
18 2HG2 THR 3 2HG2 THR 3 -9.672 -16.234 -22.875
19 3HG2 THR 3 3HG2 THR 3 -11.146 -16.020 -23.819
20 H ALA 4 H ALA 4 -8.802 -12.670 -26.264
21 HA ALA 4 HA ALA 4 -7.907 -10.107 -25.306
22 1HB ALA 4 1HB ALA 4 -7.845 -9.434 -27.567
23 2HB ALA 4 2HB ALA 4 -7.352 -11.127 -27.588
24 3HB ALA 4 3HB ALA 4 -8.993 -10.680 -28.054
25 H VAL 5 H VAL 5 -9.814 -8.868 -27.361
26 HA VAL 5 HA VAL 5 -11.949 -8.339 -25.452
27 HB VAL 5 HB VAL 5 -11.403 -7.013 -28.122
28 1HG1 VAL 5 1HG1 VAL 5 -13.270 -6.332 -25.860
29 2HG1 VAL 5 2HG1 VAL 5 -12.804 -5.178 -27.110
30 3HG1 VAL 5 3HG1 VAL 5 -13.672 -6.649 -27.546
31 1HG2 VAL 5 1HG2 VAL 5 -10.669 -6.122 -25.327
32 2HG2 VAL 5 2HG2 VAL 5 -9.545 -6.689 -26.563
33 3HG2 VAL 5 3HG2 VAL 5 -10.433 -5.183 -26.800
34 H2 A2G 7 H2 A2G 7 -3.637 -15.428 -28.133
35 H4 A2G 7 H4 A2G 7 -0.801 -18.398 -28.147
36 H5 A2G 7 H5 A2G 7 -0.843 -17.329 -25.969
37 H1 A2G 7 H1 A2G 7 -2.807 -14.449 -26.116
38 H3 A2G 7 H3 A2G 7 -2.999 -18.292 -27.449
39 HO4 A2G 7 HO4 A2G 7 -0.917 -15.739 -29.329
40 1H6 A2G 7 1H6 A2G 7 1.405 -17.065 -26.000
41 2H6 A2G 7 2H6 A2G 7 1.364 -17.164 -27.748
42 HN2 A2G 7 HN2 A2G 7 -4.567 -17.041 -25.849
43 1H8 A2G 7 1H8 A2G 7 -7.498 -17.530 -27.093
44 2H8 A2G 7 2H8 A2G 7 -6.650 -17.181 -25.575
45 3H8 A2G 7 3H8 A2G 7 -7.658 -15.935 -26.335
46 H2 A2G 10 H2 A2G 10 -5.420 -9.786 -22.293
47 H4 A2G 10 H4 A2G 10 -2.096 -10.227 -20.003
48 H5 A2G 10 H5 A2G 10 -3.559 -12.084 -19.559
49 H1 A2G 10 H1 A2G 10 -6.541 -11.714 -21.306
50 H3 A2G 10 H3 A2G 10 -2.688 -11.107 -22.051
51 HO4 A2G 10 HO4 A2G 10 -4.422 -8.492 -19.824
52 1H6 A2G 10 1H6 A2G 10 -4.885 -10.757 -17.430
53 2H6 A2G 10 2H6 A2G 10 -3.366 -11.627 -17.353
54 HN2 A2G 10 HN2 A2G 10 -4.329 -12.279 -23.458
55 1H8 A2G 10 1H8 A2G 10 -4.249 -12.146 -25.777
56 2H8 A2G 10 2H8 A2G 10 -5.976 -12.538 -25.686
57 3H8 A2G 10 3H8 A2G 10 -5.436 -11.126 -26.612
58 H2 A2G 13 H2 A2G 13 -12.066 -11.413 -21.150
59 H4 A2G 13 H4 A2G 13 -11.969 -15.029 -19.249
60 H5 A2G 13 H5 A2G 13 -11.481 -15.413 -21.517
61 H1 A2G 13 H1 A2G 13 -11.450 -12.440 -23.288
62 H3 A2G 13 H3 A2G 13 -10.415 -13.382 -19.560
63 HO4 A2G 13 HO4 A2G 13 -14.111 -13.174 -19.886
64 1H6 A2G 13 1H6 A2G 13 -13.918 -16.252 -20.562
65 2H6 A2G 13 2H6 A2G 13 -14.413 -15.400 -22.019
66 HN2 A2G 13 HN2 A2G 13 -9.181 -12.008 -20.993
67 1H8 A2G 13 1H8 A2G 13 -8.624 -8.574 -20.895
68 2H8 A2G 13 2H8 A2G 13 -7.935 -10.200 -20.747
69 3H8 A2G 13 3H8 A2G 13 -8.206 -9.493 -22.348
Start of MODEL 29
1 1H ACE 0 1H ACE 0 -2.680 38.276 -7.260
2 2H ACE 0 2H ACE 0 -4.348 38.257 -7.842
3 3H ACE 0 3H ACE 0 -3.700 39.705 -7.065
4 H SER 1 H SER 1 -4.692 40.463 -9.136
5 HA SER 1 HA SER 1 -3.127 40.122 -11.542
6 1HB SER 1 1HB SER 1 -4.711 41.910 -12.423
7 2HB SER 1 2HB SER 1 -5.481 40.427 -11.857
8 H THR 2 H THR 2 -2.705 42.380 -12.750
9 HA THR 2 HA THR 2 -0.850 43.813 -11.004
10 HB THR 2 HB THR 2 -0.231 44.861 -13.337
11 1HG2 THR 2 1HG2 THR 2 1.522 43.450 -13.490
12 2HG2 THR 2 2HG2 THR 2 0.968 42.988 -11.880
13 3HG2 THR 2 3HG2 THR 2 0.526 42.008 -13.279
14 H THR 3 H THR 3 -0.589 46.225 -12.225
15 HA THR 3 HA THR 3 -3.144 47.515 -11.611
16 HB THR 3 HB THR 3 -1.589 49.546 -11.415
17 1HG2 THR 3 1HG2 THR 3 -2.352 48.279 -9.424
18 2HG2 THR 3 2HG2 THR 3 -0.925 47.251 -9.589
19 3HG2 THR 3 3HG2 THR 3 -0.738 48.971 -9.244
20 H ALA 4 H ALA 4 -3.994 49.062 -13.020
21 HA ALA 4 HA ALA 4 -2.603 49.674 -15.465
22 1HB ALA 4 1HB ALA 4 -5.083 47.969 -15.451
23 2HB ALA 4 2HB ALA 4 -4.594 48.908 -16.862
24 3HB ALA 4 3HB ALA 4 -3.534 47.649 -16.229
25 H VAL 5 H VAL 5 -2.851 51.818 -15.546
26 HA VAL 5 HA VAL 5 -5.532 52.954 -15.453
27 HB VAL 5 HB VAL 5 -4.589 54.853 -13.963
28 1HG1 VAL 5 1HG1 VAL 5 -5.443 53.825 -12.001
29 2HG1 VAL 5 2HG1 VAL 5 -6.360 53.181 -13.363
30 3HG1 VAL 5 3HG1 VAL 5 -5.092 52.211 -12.613
31 1HG2 VAL 5 1HG2 VAL 5 -2.897 54.158 -12.339
32 2HG2 VAL 5 2HG2 VAL 5 -2.732 52.604 -13.158
33 3HG2 VAL 5 3HG2 VAL 5 -2.251 54.091 -13.978
34 H2 A2G 7 H2 A2G 7 -6.777 45.186 -10.687
35 H4 A2G 7 H4 A2G 7 -9.446 42.615 -8.962
36 H5 A2G 7 H5 A2G 7 -7.816 41.321 -10.206
37 H1 A2G 7 H1 A2G 7 -5.815 43.495 -12.088
38 H3 A2G 7 H3 A2G 7 -7.360 43.376 -8.347
39 HO4 A2G 7 HO4 A2G 7 -9.606 44.389 -11.262
40 1H6 A2G 7 1H6 A2G 7 -9.271 40.289 -11.740
41 2H6 A2G 7 2H6 A2G 7 -10.419 41.167 -10.746
42 HN2 A2G 7 HN2 A2G 7 -4.911 43.565 -9.086
43 1H8 A2G 7 1H8 A2G 7 -2.795 46.091 -8.971
44 2H8 A2G 7 2H8 A2G 7 -3.743 46.129 -7.473
45 3H8 A2G 7 3H8 A2G 7 -3.291 44.574 -8.197
46 H2 A2G 10 H2 A2G 10 -2.231 44.622 -17.129
47 H4 A2G 10 H4 A2G 10 -1.198 40.668 -17.112
48 H5 A2G 10 H5 A2G 10 -0.153 41.703 -15.259
49 H1 A2G 10 H1 A2G 10 -0.824 45.103 -15.195
50 H3 A2G 10 H3 A2G 10 -2.921 41.842 -16.146
51 HO4 A2G 10 HO4 A2G 10 -0.523 42.910 -18.828
52 1H6 A2G 10 1H6 A2G 10 2.012 42.334 -17.235
53 2H6 A2G 10 2H6 A2G 10 2.057 41.346 -15.789
54 HN2 A2G 10 HN2 A2G 10 -3.528 43.723 -14.630
55 1H8 A2G 10 1H8 A2G 10 -5.602 44.378 -14.373
56 2H8 A2G 10 2H8 A2G 10 -5.286 46.125 -14.338
57 3H8 A2G 10 3H8 A2G 10 -6.393 45.446 -15.548
58 H2 A2G 13 H2 A2G 13 2.365 50.286 -13.018
59 H4 A2G 13 H4 A2G 13 3.696 47.547 -10.259
60 H5 A2G 13 H5 A2G 13 1.346 47.880 -9.969
61 H1 A2G 13 H1 A2G 13 0.159 50.367 -12.037
62 H3 A2G 13 H3 A2G 13 2.833 47.381 -12.374
63 HO4 A2G 13 HO4 A2G 13 4.139 50.389 -10.634
64 1H6 A2G 13 1H6 A2G 13 2.568 49.976 -8.131
65 2H6 A2G 13 2H6 A2G 13 1.202 48.942 -7.816
66 HN2 A2G 13 HN2 A2G 13 0.820 47.906 -13.800
67 1H8 A2G 13 1H8 A2G 13 1.181 47.332 -16.039
68 2H8 A2G 13 2H8 A2G 13 0.073 48.682 -16.350
69 3H8 A2G 13 3H8 A2G 13 1.643 48.616 -17.172
Start of MODEL 30
1 1H ACE 0 1H ACE 0 25.017 34.325 -11.419
2 2H ACE 0 2H ACE 0 23.373 33.700 -11.262
3 3H ACE 0 3H ACE 0 23.988 34.872 -10.092
4 H SER 1 H SER 1 23.735 34.500 -13.582
5 HA SER 1 HA SER 1 22.170 36.907 -13.886
6 1HB SER 1 1HB SER 1 23.749 38.093 -15.268
7 2HB SER 1 2HB SER 1 24.578 37.671 -13.764
8 H THR 2 H THR 2 21.462 37.247 -16.117
9 HA THR 2 HA THR 2 21.287 34.698 -17.551
10 HB THR 2 HB THR 2 19.516 36.022 -18.892
11 1HG2 THR 2 1HG2 THR 2 19.181 35.289 -16.014
12 2HG2 THR 2 2HG2 THR 2 17.847 35.919 -16.981
13 3HG2 THR 2 3HG2 THR 2 18.647 34.421 -17.455
14 H THR 3 H THR 3 20.735 35.744 -20.139
15 HA THR 3 HA THR 3 23.439 36.548 -20.922
16 HB THR 3 HB THR 3 22.514 35.814 -23.218
17 1HG2 THR 3 1HG2 THR 3 22.952 33.962 -20.912
18 2HG2 THR 3 2HG2 THR 3 22.504 33.335 -22.498
19 3HG2 THR 3 3HG2 THR 3 23.986 34.272 -22.308
20 H ALA 4 H ALA 4 23.450 37.863 -23.036
21 HA ALA 4 HA ALA 4 21.255 39.709 -23.332
22 1HB ALA 4 1HB ALA 4 23.349 40.405 -21.608
23 2HB ALA 4 2HB ALA 4 23.654 41.303 -23.093
24 3HB ALA 4 3HB ALA 4 22.109 41.474 -22.259
25 H VAL 5 H VAL 5 20.981 39.871 -25.458
26 HA VAL 5 HA VAL 5 23.271 40.341 -27.203
27 HB VAL 5 HB VAL 5 21.287 38.132 -27.813
28 1HG1 VAL 5 1HG1 VAL 5 22.074 39.100 -29.833
29 2HG1 VAL 5 2HG1 VAL 5 23.737 39.137 -29.246
30 3HG1 VAL 5 3HG1 VAL 5 22.962 37.594 -29.608
31 1HG2 VAL 5 1HG2 VAL 5 22.709 37.383 -26.014
32 2HG2 VAL 5 2HG2 VAL 5 23.233 36.602 -27.506
33 3HG2 VAL 5 3HG2 VAL 5 24.147 37.961 -26.852
34 H2 A2G 7 H2 A2G 7 28.016 36.664 -16.832
35 H4 A2G 7 H4 A2G 7 28.291 35.165 -12.963
36 H5 A2G 7 H5 A2G 7 26.066 36.085 -13.421
37 H1 A2G 7 H1 A2G 7 26.157 38.038 -16.272
38 H3 A2G 7 H3 A2G 7 27.509 34.356 -14.984
39 HO4 A2G 7 HO4 A2G 7 29.403 37.513 -14.292
40 1H6 A2G 7 1H6 A2G 7 26.769 36.634 -11.204
41 2H6 A2G 7 2H6 A2G 7 27.881 37.875 -11.732
42 HN2 A2G 7 HN2 A2G 7 25.879 34.638 -16.577
43 1H8 A2G 7 1H8 A2G 7 25.209 33.729 -18.354
44 2H8 A2G 7 2H8 A2G 7 24.943 34.912 -19.647
45 3H8 A2G 7 3H8 A2G 7 26.297 33.772 -19.754
46 H2 A2G 10 H2 A2G 10 19.215 40.271 -19.417
47 H4 A2G 10 H4 A2G 10 17.400 40.227 -15.792
48 H5 A2G 10 H5 A2G 10 17.673 37.963 -16.454
49 H1 A2G 10 H1 A2G 10 19.251 37.828 -19.559
50 H3 A2G 10 H3 A2G 10 19.614 40.192 -16.406
51 HO4 A2G 10 HO4 A2G 10 16.473 40.854 -18.473
52 1H6 A2G 10 1H6 A2G 10 15.437 37.276 -17.317
53 2H6 A2G 10 2H6 A2G 10 15.295 38.467 -16.036
54 HN2 A2G 10 HN2 A2G 10 21.405 39.116 -17.801
55 1H8 A2G 10 1H8 A2G 10 23.519 39.487 -19.932
56 2H8 A2G 10 2H8 A2G 10 23.638 41.185 -19.424
57 3H8 A2G 10 3H8 A2G 10 23.384 39.914 -18.213
58 H2 A2G 13 H2 A2G 13 18.388 35.636 -24.507
59 H4 A2G 13 H4 A2G 13 18.306 32.035 -22.542
60 H5 A2G 13 H5 A2G 13 20.513 32.935 -22.416
61 H1 A2G 13 H1 A2G 13 20.772 35.868 -24.222
62 H3 A2G 13 H3 A2G 13 18.015 34.199 -21.864
63 HO4 A2G 13 HO4 A2G 13 18.160 32.805 -25.347
64 1H6 A2G 13 1H6 A2G 13 19.937 30.683 -24.078
65 2H6 A2G 13 2H6 A2G 13 21.242 31.556 -24.861
66 HN2 A2G 13 HN2 A2G 13 18.975 36.482 -21.730
67 1H8 A2G 13 1H8 A2G 13 16.914 38.449 -21.394
68 2H8 A2G 13 2H8 A2G 13 18.660 38.734 -21.473
69 3H8 A2G 13 3H8 A2G 13 17.571 39.614 -22.557
Start of MODEL 31
1 1H ACE 0 1H ACE 0 -15.803 -10.371 -31.929
2 2H ACE 0 2H ACE 0 -14.863 -8.992 -32.509
3 3H ACE 0 3H ACE 0 -16.476 -9.299 -33.161
4 H SER 1 H SER 1 -16.770 -7.072 -32.587
5 HA SER 1 HA SER 1 -16.970 -6.340 -29.800
6 1HB SER 1 1HB SER 1 -17.718 -4.178 -30.628
7 2HB SER 1 2HB SER 1 -16.334 -4.708 -31.589
8 H THR 2 H THR 2 -18.988 -5.384 -28.928
9 HA THR 2 HA THR 2 -21.262 -7.116 -29.561
10 HB THR 2 HB THR 2 -22.124 -6.077 -27.348
11 1HG2 THR 2 1HG2 THR 2 -21.239 -7.759 -26.131
12 2HG2 THR 2 2HG2 THR 2 -20.837 -8.348 -27.743
13 3HG2 THR 2 3HG2 THR 2 -19.613 -7.524 -26.776
14 H THR 3 H THR 3 -23.297 -5.438 -28.462
15 HA THR 3 HA THR 3 -23.620 -3.525 -30.652
16 HB THR 3 HB THR 3 -26.055 -3.610 -29.792
17 1HG2 THR 3 1HG2 THR 3 -24.850 -6.152 -30.862
18 2HG2 THR 3 2HG2 THR 3 -26.558 -5.716 -30.901
19 3HG2 THR 3 3HG2 THR 3 -25.387 -4.779 -31.830
20 H ALA 4 H ALA 4 -24.539 -1.416 -30.181
21 HA ALA 4 HA ALA 4 -23.525 -0.372 -27.693
22 1HB ALA 4 1HB ALA 4 -23.793 1.788 -28.655
23 2HB ALA 4 2HB ALA 4 -23.210 0.744 -29.951
24 3HB ALA 4 3HB ALA 4 -24.916 1.184 -29.873
25 H VAL 5 H VAL 5 -25.660 1.811 -27.927
26 HA VAL 5 HA VAL 5 -28.033 0.426 -26.978
27 HB VAL 5 HB VAL 5 -26.790 0.636 -24.918
28 1HG1 VAL 5 1HG1 VAL 5 -25.298 2.478 -25.692
29 2HG1 VAL 5 2HG1 VAL 5 -26.616 3.608 -25.380
30 3HG1 VAL 5 3HG1 VAL 5 -25.915 2.680 -24.054
31 1HG2 VAL 5 1HG2 VAL 5 -29.267 1.160 -24.972
32 2HG2 VAL 5 2HG2 VAL 5 -28.383 1.778 -23.577
33 3HG2 VAL 5 3HG2 VAL 5 -28.823 2.864 -24.895
34 H2 A2G 7 H2 A2G 7 -19.958 -2.625 -34.209
35 H4 A2G 7 H4 A2G 7 -16.720 -4.047 -36.243
36 H5 A2G 7 H5 A2G 7 -16.394 -4.500 -33.898
37 H1 A2G 7 H1 A2G 7 -18.950 -2.994 -32.048
38 H3 A2G 7 H3 A2G 7 -18.653 -5.020 -35.509
39 HO4 A2G 7 HO4 A2G 7 -17.551 -1.364 -35.497
40 1H6 A2G 7 1H6 A2G 7 -14.593 -2.956 -33.329
41 2H6 A2G 7 2H6 A2G 7 -14.547 -3.219 -35.068
42 HN2 A2G 7 HN2 A2G 7 -20.164 -5.474 -33.471
43 1H8 A2G 7 1H8 A2G 7 -22.212 -6.053 -32.850
44 2H8 A2G 7 2H8 A2G 7 -23.613 -5.023 -33.190
45 3H8 A2G 7 3H8 A2G 7 -22.901 -6.002 -34.483
46 H2 A2G 10 H2 A2G 10 -21.020 -2.386 -25.459
47 H4 A2G 10 H4 A2G 10 -17.739 -4.426 -24.143
48 H5 A2G 10 H5 A2G 10 -19.146 -5.969 -25.300
49 H1 A2G 10 H1 A2G 10 -22.056 -4.404 -26.339
50 H3 A2G 10 H3 A2G 10 -18.207 -3.329 -26.099
51 HO4 A2G 10 HO4 A2G 10 -20.100 -3.378 -22.809
52 1H6 A2G 10 1H6 A2G 10 -20.039 -7.343 -23.528
53 2H6 A2G 10 2H6 A2G 10 -18.594 -6.566 -22.900
54 HN2 A2G 10 HN2 A2G 10 -19.753 -3.131 -28.032
55 1H8 A2G 10 1H8 A2G 10 -21.563 -0.540 -29.530
56 2H8 A2G 10 2H8 A2G 10 -19.809 -0.480 -29.290
57 3H8 A2G 10 3H8 A2G 10 -20.587 -1.999 -29.770
58 H2 A2G 13 H2 A2G 13 -27.370 -4.717 -25.784
59 H4 A2G 13 H4 A2G 13 -27.097 -8.500 -27.318
60 H5 A2G 13 H5 A2G 13 -26.710 -6.973 -29.077
61 H1 A2G 13 H1 A2G 13 -26.908 -3.713 -27.962
62 H3 A2G 13 H3 A2G 13 -25.593 -7.109 -26.315
63 HO4 A2G 13 HO4 A2G 13 -29.330 -6.914 -26.357
64 1H6 A2G 13 1H6 A2G 13 -29.644 -6.779 -29.439
65 2H6 A2G 13 2H6 A2G 13 -28.447 -7.541 -30.462
66 HN2 A2G 13 HN2 A2G 13 -24.496 -4.797 -26.447
67 1H8 A2G 13 1H8 A2G 13 -23.487 -2.892 -25.145
68 2H8 A2G 13 2H8 A2G 13 -23.929 -2.954 -23.431
69 3H8 A2G 13 3H8 A2G 13 -23.233 -4.380 -24.218
Start of MODEL 32
1 1H ACE 0 1H ACE 0 9.554 -32.709 -30.516
2 2H ACE 0 2H ACE 0 11.131 -33.234 -29.916
3 3H ACE 0 3H ACE 0 11.032 -32.096 -31.263
4 H SER 1 H SER 1 12.532 -31.005 -29.789
5 HA SER 1 HA SER 1 11.437 -29.684 -27.470
6 1HB SER 1 1HB SER 1 13.620 -28.701 -27.207
7 2HB SER 1 2HB SER 1 13.846 -30.390 -27.666
8 H THR 2 H THR 2 11.191 -27.429 -27.211
9 HA THR 2 HA THR 2 10.363 -26.071 -29.668
10 HB THR 2 HB THR 2 9.398 -24.406 -27.957
11 1HG2 THR 2 1HG2 THR 2 7.646 -25.588 -28.743
12 2HG2 THR 2 2HG2 THR 2 8.438 -27.144 -28.490
13 3HG2 THR 2 3HG2 THR 2 7.696 -26.301 -27.129
14 H THR 3 H THR 3 10.539 -23.438 -28.919
15 HA THR 3 HA THR 3 13.431 -22.977 -28.956
16 HB THR 3 HB THR 3 12.607 -20.693 -29.848
17 1HG2 THR 3 1HG2 THR 3 12.379 -21.466 -32.070
18 2HG2 THR 3 2HG2 THR 3 13.496 -22.575 -31.272
19 3HG2 THR 3 3HG2 THR 3 11.814 -23.047 -31.528
20 H ALA 4 H ALA 4 13.880 -20.595 -28.138
21 HA ALA 4 HA ALA 4 12.336 -19.845 -25.821
22 1HB ALA 4 1HB ALA 4 13.593 -20.802 -24.249
23 2HB ALA 4 2HB ALA 4 14.562 -21.573 -25.505
24 3HB ALA 4 3HB ALA 4 15.028 -19.993 -24.875
25 H VAL 5 H VAL 5 12.203 -17.706 -25.931
26 HA VAL 5 HA VAL 5 14.240 -16.187 -27.361
27 HB VAL 5 HB VAL 5 11.615 -15.222 -26.194
28 1HG1 VAL 5 1HG1 VAL 5 13.087 -13.373 -26.498
29 2HG1 VAL 5 2HG1 VAL 5 13.579 -13.947 -28.091
30 3HG1 VAL 5 3HG1 VAL 5 11.938 -13.354 -27.834
31 1HG2 VAL 5 1HG2 VAL 5 10.867 -15.269 -28.601
32 2HG2 VAL 5 2HG2 VAL 5 12.321 -16.200 -28.962
33 3HG2 VAL 5 3HG2 VAL 5 11.104 -16.853 -27.864
34 H2 A2G 7 H2 A2G 7 17.334 -28.166 -29.931
35 H4 A2G 7 H4 A2G 7 16.063 -31.640 -31.729
36 H5 A2G 7 H5 A2G 7 14.588 -31.115 -29.886
37 H1 A2G 7 H1 A2G 7 15.900 -28.466 -28.043
38 H3 A2G 7 H3 A2G 7 15.518 -29.439 -31.977
39 HO4 A2G 7 HO4 A2G 7 18.292 -31.058 -29.956
40 1H6 A2G 7 1H6 A2G 7 15.210 -32.869 -28.227
41 2H6 A2G 7 2H6 A2G 7 15.414 -33.442 -29.877
42 HN2 A2G 7 HN2 A2G 7 14.579 -27.434 -30.717
43 1H8 A2G 7 1H8 A2G 7 15.550 -24.131 -30.719
44 2H8 A2G 7 2H8 A2G 7 15.306 -24.925 -32.283
45 3H8 A2G 7 3H8 A2G 7 14.236 -25.303 -30.922
46 H2 A2G 10 H2 A2G 10 10.608 -23.633 -23.898
47 H4 A2G 10 H4 A2G 10 8.807 -27.113 -22.920
48 H5 A2G 10 H5 A2G 10 8.309 -26.651 -25.229
49 H1 A2G 10 H1 A2G 10 9.700 -23.627 -26.178
50 H3 A2G 10 H3 A2G 10 10.819 -26.666 -23.949
51 HO4 A2G 10 HO4 A2G 10 8.207 -24.336 -22.341
52 1H6 A2G 10 1H6 A2G 10 5.956 -25.235 -24.768
53 2H6 A2G 10 2H6 A2G 10 6.130 -26.975 -24.667
54 HN2 A2G 10 HN2 A2G 10 12.131 -25.440 -25.676
55 1H8 A2G 10 1H8 A2G 10 14.274 -23.534 -26.329
56 2H8 A2G 10 2H8 A2G 10 15.050 -23.776 -24.752
57 3H8 A2G 10 3H8 A2G 10 14.326 -25.153 -25.603
58 H2 A2G 13 H2 A2G 13 8.655 -18.845 -29.735
59 H4 A2G 13 H4 A2G 13 7.712 -21.696 -32.565
60 H5 A2G 13 H5 A2G 13 10.028 -21.889 -32.028
61 H1 A2G 13 H1 A2G 13 11.000 -19.403 -29.836
62 H3 A2G 13 H3 A2G 13 7.652 -21.639 -30.287
63 HO4 A2G 13 HO4 A2G 13 8.004 -18.808 -32.714
64 1H6 A2G 13 1H6 A2G 13 10.619 -19.907 -34.114
65 2H6 A2G 13 2H6 A2G 13 10.811 -21.653 -34.135
66 HN2 A2G 13 HN2 A2G 13 8.830 -21.429 -28.321
67 1H8 A2G 13 1H8 A2G 13 9.113 -21.356 -26.194
68 2H8 A2G 13 2H8 A2G 13 9.537 -19.841 -25.380
69 3H8 A2G 13 3H8 A2G 13 7.835 -20.259 -25.641
Start of MODEL 33
1 1H ACE 0 1H ACE 0 -16.983 0.398 -35.871
2 2H ACE 0 2H ACE 0 -18.493 -0.170 -36.590
3 3H ACE 0 3H ACE 0 -17.543 -1.248 -35.562
4 H SER 1 H SER 1 -17.915 2.103 -34.887
5 HA SER 1 HA SER 1 -20.120 1.804 -33.036
6 1HB SER 1 1HB SER 1 -18.761 2.621 -31.081
7 2HB SER 1 2HB SER 1 -18.321 0.996 -31.611
8 H THR 2 H THR 2 -21.068 3.768 -32.532
9 HA THR 2 HA THR 2 -19.999 6.051 -34.013
10 HB THR 2 HB THR 2 -22.312 7.047 -33.445
11 1HG2 THR 2 1HG2 THR 2 -23.308 6.155 -35.314
12 2HG2 THR 2 2HG2 THR 2 -21.593 5.905 -35.639
13 3HG2 THR 2 3HG2 THR 2 -22.589 4.565 -35.068
14 H THR 3 H THR 3 -21.277 8.099 -32.536
15 HA THR 3 HA THR 3 -19.453 8.290 -30.268
16 HB THR 3 HB THR 3 -20.318 10.778 -30.559
17 1HG2 THR 3 1HG2 THR 3 -18.660 9.626 -32.784
18 2HG2 THR 3 2HG2 THR 3 -18.614 11.265 -32.131
19 3HG2 THR 3 3HG2 THR 3 -18.023 9.914 -31.163
20 H ALA 4 H ALA 4 -20.263 9.590 -28.399
21 HA ALA 4 HA ALA 4 -23.107 9.571 -27.955
22 1HB ALA 4 1HB ALA 4 -23.285 7.832 -26.543
23 2HB ALA 4 2HB ALA 4 -21.738 7.306 -27.205
24 3HB ALA 4 3HB ALA 4 -21.786 8.238 -25.711
25 H VAL 5 H VAL 5 -23.469 11.526 -27.109
26 HA VAL 5 HA VAL 5 -21.393 12.846 -25.542
27 HB VAL 5 HB VAL 5 -24.065 13.958 -26.432
28 1HG1 VAL 5 1HG1 VAL 5 -22.889 16.146 -26.108
29 2HG1 VAL 5 2HG1 VAL 5 -23.190 15.240 -24.625
30 3HG1 VAL 5 3HG1 VAL 5 -21.576 15.257 -25.338
31 1HG2 VAL 5 1HG2 VAL 5 -22.685 15.123 -28.189
32 2HG2 VAL 5 2HG2 VAL 5 -21.356 14.043 -27.764
33 3HG2 VAL 5 3HG2 VAL 5 -22.858 13.384 -28.414
34 H2 A2G 7 H2 A2G 7 -15.137 4.636 -30.380
35 H4 A2G 7 H4 A2G 7 -13.148 2.025 -32.782
36 H5 A2G 7 H5 A2G 7 -15.284 1.106 -32.320
37 H1 A2G 7 H1 A2G 7 -17.056 3.145 -30.144
38 H3 A2G 7 H3 A2G 7 -14.581 3.748 -33.222
39 HO4 A2G 7 HO4 A2G 7 -12.826 2.897 -30.026
40 1H6 A2G 7 1H6 A2G 7 -12.967 0.069 -30.856
41 2H6 A2G 7 2H6 A2G 7 -14.432 -0.243 -29.967
42 HN2 A2G 7 HN2 A2G 7 -16.889 4.794 -32.733
43 1H8 A2G 7 1H8 A2G 7 -17.541 6.748 -33.294
44 2H8 A2G 7 2H8 A2G 7 -17.909 7.699 -31.845
45 3H8 A2G 7 3H8 A2G 7 -16.524 8.132 -32.856
46 H2 A2G 10 H2 A2G 10 -24.637 5.940 -29.977
47 H4 A2G 10 H4 A2G 10 -26.016 3.008 -32.430
48 H5 A2G 10 H5 A2G 10 -24.776 4.499 -33.765
49 H1 A2G 10 H1 A2G 10 -23.424 7.029 -31.822
50 H3 A2G 10 H3 A2G 10 -24.084 3.203 -31.192
51 HO4 A2G 10 HO4 A2G 10 -27.266 5.183 -30.965
52 1H6 A2G 10 1H6 A2G 10 -27.558 4.519 -33.957
53 2H6 A2G 10 2H6 A2G 10 -27.175 6.234 -33.920
54 HN2 A2G 10 HN2 A2G 10 -22.075 4.606 -30.595
55 1H8 A2G 10 1H8 A2G 10 -20.560 6.110 -28.296
56 2H8 A2G 10 2H8 A2G 10 -21.188 4.758 -27.330
57 3H8 A2G 10 3H8 A2G 10 -20.664 4.483 -29.002
58 H2 A2G 13 H2 A2G 13 -23.539 12.294 -33.052
59 H4 A2G 13 H4 A2G 13 -21.414 10.883 -36.259
60 H5 A2G 13 H5 A2G 13 -20.088 10.611 -34.289
61 H1 A2G 13 H1 A2G 13 -21.655 11.976 -31.527
62 H3 A2G 13 H3 A2G 13 -22.787 9.879 -34.718
63 HO4 A2G 13 HO4 A2G 13 -22.211 13.536 -35.364
64 1H6 A2G 13 1H6 A2G 13 -19.448 12.707 -36.186
65 2H6 A2G 13 2H6 A2G 13 -18.851 13.169 -34.602
66 HN2 A2G 13 HN2 A2G 13 -23.256 9.470 -32.259
67 1H8 A2G 13 1H8 A2G 13 -26.396 9.708 -30.738
68 2H8 A2G 13 2H8 A2G 13 -26.069 8.694 -32.154
69 3H8 A2G 13 3H8 A2G 13 -24.867 8.818 -30.857
Start of MODEL 34
1 1H ACE 0 1H ACE 0 11.983 17.563 -7.355
2 2H ACE 0 2H ACE 0 11.785 18.984 -6.324
3 3H ACE 0 3H ACE 0 12.629 17.558 -5.711
4 H SER 1 H SER 1 12.735 19.514 -8.634
5 HA SER 1 HA SER 1 15.614 19.371 -8.784
6 1HB SER 1 1HB SER 1 15.385 20.572 -10.869
7 2HB SER 1 2HB SER 1 14.132 19.331 -10.804
8 H THR 2 H THR 2 16.761 21.519 -9.388
9 HA THR 2 HA THR 2 16.274 23.370 -7.179
10 HB THR 2 HB THR 2 18.577 24.263 -7.994
11 1HG2 THR 2 1HG2 THR 2 18.064 22.702 -5.981
12 2HG2 THR 2 2HG2 THR 2 18.778 21.458 -7.007
13 3HG2 THR 2 3HG2 THR 2 19.721 22.879 -6.559
14 H THR 3 H THR 3 17.442 25.649 -8.020
15 HA THR 3 HA THR 3 15.577 26.630 -10.052
16 HB THR 3 HB THR 3 16.266 28.878 -9.024
17 1HG2 THR 3 1HG2 THR 3 14.157 27.775 -8.403
18 2HG2 THR 3 2HG2 THR 3 15.020 26.882 -7.148
19 3HG2 THR 3 3HG2 THR 3 14.890 28.639 -7.049
20 H ALA 4 H ALA 4 16.552 28.675 -11.183
21 HA ALA 4 HA ALA 4 19.359 28.500 -11.774
22 1HB ALA 4 1HB ALA 4 17.997 26.809 -13.235
23 2HB ALA 4 2HB ALA 4 17.541 28.248 -14.143
24 3HB ALA 4 3HB ALA 4 19.241 27.804 -13.984
25 H VAL 5 H VAL 5 18.759 29.885 -14.405
26 HA VAL 5 HA VAL 5 18.454 32.556 -13.282
27 HB VAL 5 HB VAL 5 19.181 31.759 -16.114
28 1HG1 VAL 5 1HG1 VAL 5 18.352 33.985 -16.111
29 2HG1 VAL 5 2HG1 VAL 5 19.264 34.393 -14.657
30 3HG1 VAL 5 3HG1 VAL 5 20.110 34.095 -16.176
31 1HG2 VAL 5 1HG2 VAL 5 20.942 32.490 -13.768
32 2HG2 VAL 5 2HG2 VAL 5 20.867 30.931 -14.589
33 3HG2 VAL 5 3HG2 VAL 5 21.503 32.344 -15.432
34 H2 A2G 7 H2 A2G 7 12.222 23.263 -12.818
35 H4 A2G 7 H4 A2G 7 9.818 20.014 -12.054
36 H5 A2G 7 H5 A2G 7 12.026 19.642 -11.110
37 H1 A2G 7 H1 A2G 7 14.209 22.092 -12.240
38 H3 A2G 7 H3 A2G 7 10.387 21.907 -10.858
39 HO4 A2G 7 HO4 A2G 7 11.137 21.004 -14.456
40 1H6 A2G 7 1H6 A2G 7 12.156 17.596 -12.070
41 2H6 A2G 7 2H6 A2G 7 10.986 18.116 -13.268
42 HN2 A2G 7 HN2 A2G 7 12.423 23.123 -9.881
43 1H8 A2G 7 1H8 A2G 7 12.638 24.964 -8.866
44 2H8 A2G 7 2H8 A2G 7 13.075 26.407 -9.799
45 3H8 A2G 7 3H8 A2G 7 11.377 26.091 -9.402
46 H2 A2G 10 H2 A2G 10 20.546 23.688 -11.776
47 H4 A2G 10 H4 A2G 10 21.081 19.863 -10.490
48 H5 A2G 10 H5 A2G 10 20.341 21.110 -8.617
49 H1 A2G 10 H1 A2G 10 19.716 24.406 -9.577
50 H3 A2G 10 H3 A2G 10 19.293 20.936 -11.455
51 HO4 A2G 10 HO4 A2G 10 22.926 22.003 -11.170
52 1H6 A2G 10 1H6 A2G 10 22.330 21.445 -7.274
53 2H6 A2G 10 2H6 A2G 10 22.695 20.134 -8.387
54 HN2 A2G 10 HN2 A2G 10 17.743 22.804 -11.414
55 1H8 A2G 10 1H8 A2G 10 16.589 25.576 -12.738
56 2H8 A2G 10 2H8 A2G 10 16.798 24.434 -14.079
57 3H8 A2G 10 3H8 A2G 10 16.268 23.850 -12.492
58 H2 A2G 13 H2 A2G 13 20.065 29.762 -7.094
59 H4 A2G 13 H4 A2G 13 18.137 28.261 -3.793
60 H5 A2G 13 H5 A2G 13 16.589 28.384 -5.548
61 H1 A2G 13 H1 A2G 13 18.023 29.673 -8.411
62 H3 A2G 13 H3 A2G 13 19.373 27.316 -5.468
63 HO4 A2G 13 HO4 A2G 13 19.406 30.800 -4.356
64 1H6 A2G 13 1H6 A2G 13 16.489 31.125 -4.195
65 2H6 A2G 13 2H6 A2G 13 15.169 30.351 -5.044
66 HN2 A2G 13 HN2 A2G 13 19.478 27.008 -7.967
67 1H8 A2G 13 1H8 A2G 13 22.782 26.781 -9.167
68 2H8 A2G 13 2H8 A2G 13 21.326 25.886 -8.696
69 3H8 A2G 13 3H8 A2G 13 21.311 26.902 -10.150
Start of MODEL 35
1 1H ACE 0 1H ACE 0 44.950 14.335 4.421
2 2H ACE 0 2H ACE 0 43.479 13.833 5.260
3 3H ACE 0 3H ACE 0 44.963 14.119 6.174
4 H SER 1 H SER 1 45.924 16.314 5.737
5 HA SER 1 HA SER 1 43.956 18.298 6.468
6 1HB SER 1 1HB SER 1 45.802 19.701 7.029
7 2HB SER 1 2HB SER 1 46.283 18.073 7.509
8 H THR 2 H THR 2 43.766 20.374 5.382
9 HA THR 2 HA THR 2 43.992 20.049 2.486
10 HB THR 2 HB THR 2 42.478 22.140 2.521
11 1HG2 THR 2 1HG2 THR 2 41.457 19.603 3.755
12 2HG2 THR 2 2HG2 THR 2 40.473 20.884 3.046
13 3HG2 THR 2 3HG2 THR 2 41.575 19.956 2.031
14 H THR 3 H THR 3 43.864 22.938 1.960
15 HA THR 3 HA THR 3 46.700 23.524 2.277
16 HB THR 3 HB THR 3 45.978 25.332 0.514
17 1HG2 THR 3 1HG2 THR 3 45.746 22.557 -0.539
18 2HG2 THR 3 2HG2 THR 3 46.592 23.950 -1.216
19 3HG2 THR 3 3HG2 THR 3 47.271 23.095 0.170
20 H ALA 4 H ALA 4 47.429 25.389 3.194
21 HA ALA 4 HA ALA 4 45.562 26.767 4.893
22 1HB ALA 4 1HB ALA 4 48.536 27.193 4.681
23 2HB ALA 4 2HB ALA 4 47.464 27.746 5.967
24 3HB ALA 4 3HB ALA 4 47.766 26.022 5.749
25 H VAL 5 H VAL 5 44.383 28.104 3.736
26 HA VAL 5 HA VAL 5 45.662 30.510 2.721
27 HB VAL 5 HB VAL 5 44.283 30.507 0.630
28 1HG1 VAL 5 1HG1 VAL 5 46.702 29.857 0.724
29 2HG1 VAL 5 2HG1 VAL 5 46.181 28.172 0.738
30 3HG1 VAL 5 3HG1 VAL 5 45.805 29.201 -0.644
31 1HG2 VAL 5 1HG2 VAL 5 42.589 28.899 1.196
32 2HG2 VAL 5 2HG2 VAL 5 43.492 28.286 -0.189
33 3HG2 VAL 5 3HG2 VAL 5 43.796 27.634 1.422
34 H2 A2G 7 H2 A2G 7 50.404 19.503 5.974
35 H4 A2G 7 H4 A2G 7 49.761 15.693 4.655
36 H5 A2G 7 H5 A2G 7 47.713 16.608 5.588
37 H1 A2G 7 H1 A2G 7 48.399 19.563 7.290
38 H3 A2G 7 H3 A2G 7 49.269 17.766 3.784
39 HO4 A2G 7 HO4 A2G 7 51.107 16.769 7.000
40 1H6 A2G 7 1H6 A2G 7 48.443 15.285 8.077
41 2H6 A2G 7 2H6 A2G 7 47.378 14.725 6.802
42 HN2 A2G 7 HN2 A2G 7 48.109 19.992 4.185
43 1H8 A2G 7 1H8 A2G 7 48.569 22.831 3.799
44 2H8 A2G 7 2H8 A2G 7 49.907 22.589 2.662
45 3H8 A2G 7 3H8 A2G 7 48.484 21.535 2.592
46 H2 A2G 10 H2 A2G 10 41.898 25.095 5.620
47 H4 A2G 10 H4 A2G 10 39.491 22.254 7.287
48 H5 A2G 10 H5 A2G 10 40.237 21.449 5.181
49 H1 A2G 10 H1 A2G 10 42.198 23.797 3.575
50 H3 A2G 10 H3 A2G 10 41.763 22.594 7.334
51 HO4 A2G 10 HO4 A2G 10 39.026 24.892 6.159
52 1H6 A2G 10 1H6 A2G 10 37.603 22.013 5.556
53 2H6 A2G 10 2H6 A2G 10 37.889 22.942 4.086
54 HN2 A2G 10 HN2 A2G 10 43.852 22.913 6.015
55 1H8 A2G 10 1H8 A2G 10 46.211 25.406 6.959
56 2H8 A2G 10 2H8 A2G 10 45.716 23.740 7.305
57 3H8 A2G 10 3H8 A2G 10 46.168 24.205 5.654
58 H2 A2G 13 H2 A2G 13 42.027 26.575 -0.733
59 H4 A2G 13 H4 A2G 13 41.696 22.894 -2.501
60 H5 A2G 13 H5 A2G 13 43.904 23.111 -1.611
61 H1 A2G 13 H1 A2G 13 44.393 26.272 -0.282
62 H3 A2G 13 H3 A2G 13 41.377 23.640 -0.357
63 HO4 A2G 13 HO4 A2G 13 41.725 25.613 -3.495
64 1H6 A2G 13 1H6 A2G 13 44.231 24.292 -4.399
65 2H6 A2G 13 2H6 A2G 13 45.277 23.175 -3.581
66 HN2 A2G 13 HN2 A2G 13 42.444 24.858 1.626
67 1H8 A2G 13 1H8 A2G 13 42.001 26.260 3.577
68 2H8 A2G 13 2H8 A2G 13 40.529 27.242 3.470
69 3H8 A2G 13 3H8 A2G 13 40.439 25.485 3.267
Start of MODEL 36
1 1H ACE 0 1H ACE 0 19.639 1.817 -8.217
2 2H ACE 0 2H ACE 0 20.464 2.299 -9.703
3 3H ACE 0 3H ACE 0 18.699 2.300 -9.632
4 H SER 1 H SER 1 21.369 3.509 -7.686
5 HA SER 1 HA SER 1 20.595 6.272 -8.030
6 1HB SER 1 1HB SER 1 20.522 6.488 -5.409
7 2HB SER 1 2HB SER 1 19.075 5.975 -6.280
8 H THR 2 H THR 2 22.226 7.718 -7.443
9 HA THR 2 HA THR 2 24.828 6.465 -6.964
10 HB THR 2 HB THR 2 25.656 8.818 -7.543
11 1HG2 THR 2 1HG2 THR 2 24.302 8.256 -9.972
12 2HG2 THR 2 2HG2 THR 2 25.996 7.994 -9.553
13 3HG2 THR 2 3HG2 THR 2 24.803 6.735 -9.231
14 H THR 3 H THR 3 26.298 8.456 -5.895
15 HA THR 3 HA THR 3 25.244 8.649 -3.168
16 HB THR 3 HB THR 3 27.689 9.152 -2.669
17 1HG2 THR 3 1HG2 THR 3 28.355 6.952 -2.615
18 2HG2 THR 3 2HG2 THR 3 26.602 6.781 -2.706
19 3HG2 THR 3 3HG2 THR 3 27.587 6.573 -4.157
20 H ALA 4 H ALA 4 26.321 10.662 -2.023
21 HA ALA 4 HA ALA 4 26.474 13.017 -3.677
22 1HB ALA 4 1HB ALA 4 24.560 13.559 -1.564
23 2HB ALA 4 2HB ALA 4 24.455 13.897 -3.292
24 3HB ALA 4 3HB ALA 4 23.976 12.318 -2.670
25 H VAL 5 H VAL 5 28.219 13.992 -2.909
26 HA VAL 5 HA VAL 5 28.939 13.725 -0.096
27 HB VAL 5 HB VAL 5 31.065 14.855 -0.763
28 1HG1 VAL 5 1HG1 VAL 5 30.840 12.403 -0.739
29 2HG1 VAL 5 2HG1 VAL 5 30.381 12.445 -2.442
30 3HG1 VAL 5 3HG1 VAL 5 31.993 12.964 -1.949
31 1HG2 VAL 5 1HG2 VAL 5 31.579 15.203 -3.107
32 2HG2 VAL 5 2HG2 VAL 5 29.986 14.611 -3.578
33 3HG2 VAL 5 3HG2 VAL 5 30.137 16.123 -2.684
34 H2 A2G 7 H2 A2G 7 20.645 4.333 -2.025
35 H4 A2G 7 H4 A2G 7 19.363 0.838 -3.694
36 H5 A2G 7 H5 A2G 7 18.838 2.644 -5.205
37 H1 A2G 7 H1 A2G 7 19.580 5.704 -3.703
38 H3 A2G 7 H3 A2G 7 21.297 2.061 -3.910
39 HO4 A2G 7 HO4 A2G 7 18.325 2.486 -1.537
40 1H6 A2G 7 1H6 A2G 7 16.379 2.847 -4.959
41 2H6 A2G 7 2H6 A2G 7 16.899 1.195 -4.670
42 HN2 A2G 7 HN2 A2G 7 22.280 4.361 -4.477
43 1H8 A2G 7 1H8 A2G 7 25.044 4.520 -2.958
44 2H8 A2G 7 2H8 A2G 7 24.187 5.284 -4.308
45 3H8 A2G 7 3H8 A2G 7 24.576 6.227 -2.858
46 H2 A2G 10 H2 A2G 10 23.809 12.641 -7.225
47 H4 A2G 10 H4 A2G 10 21.598 11.658 -10.519
48 H5 A2G 10 H5 A2G 10 23.157 9.899 -10.098
49 H1 A2G 10 H1 A2G 10 25.267 10.717 -7.473
50 H3 A2G 10 H3 A2G 10 21.383 11.157 -8.274
51 HO4 A2G 10 HO4 A2G 10 23.632 13.659 -9.936
52 1H6 A2G 10 1H6 A2G 10 23.760 11.841 -12.248
53 2H6 A2G 10 2H6 A2G 10 25.152 10.871 -11.791
54 HN2 A2G 10 HN2 A2G 10 22.458 10.210 -6.241
55 1H8 A2G 10 1H8 A2G 10 21.554 10.427 -4.229
56 2H8 A2G 10 2H8 A2G 10 23.112 10.619 -3.398
57 3H8 A2G 10 3H8 A2G 10 21.856 11.861 -3.230
58 H2 A2G 13 H2 A2G 13 30.444 11.242 -5.238
59 H4 A2G 13 H4 A2G 13 31.162 7.519 -6.801
60 H5 A2G 13 H5 A2G 13 29.685 7.269 -4.972
61 H1 A2G 13 H1 A2G 13 29.078 10.325 -3.463
62 H3 A2G 13 H3 A2G 13 29.645 9.159 -7.267
63 HO4 A2G 13 HO4 A2G 13 32.812 9.394 -5.322
64 1H6 A2G 13 1H6 A2G 13 32.265 6.308 -4.787
65 2H6 A2G 13 2H6 A2G 13 32.113 7.157 -3.254
66 HN2 A2G 13 HN2 A2G 13 27.772 10.517 -6.266
67 1H8 A2G 13 1H8 A2G 13 27.507 13.805 -7.555
68 2H8 A2G 13 2H8 A2G 13 26.911 12.141 -7.682
69 3H8 A2G 13 3H8 A2G 13 26.602 13.084 -6.212
Start of MODEL 37
1 1H ACE 0 1H ACE 0 61.315 16.836 -10.295
2 2H ACE 0 2H ACE 0 61.082 17.837 -11.732
3 3H ACE 0 3H ACE 0 59.740 16.881 -11.094
4 H SER 1 H SER 1 59.074 19.270 -11.478
5 HA SER 1 HA SER 1 59.628 21.067 -9.290
6 1HB SER 1 1HB SER 1 58.204 22.626 -10.421
7 2HB SER 1 2HB SER 1 59.137 21.798 -11.670
8 H THR 2 H THR 2 57.715 22.156 -8.216
9 HA THR 2 HA THR 2 56.011 20.085 -7.049
10 HB THR 2 HB THR 2 55.590 22.098 -5.395
11 1HG2 THR 2 1HG2 THR 2 57.362 21.465 -4.032
12 2HG2 THR 2 2HG2 THR 2 57.003 20.023 -4.981
13 3HG2 THR 2 3HG2 THR 2 58.383 21.036 -5.405
14 H THR 3 H THR 3 54.041 22.111 -6.090
15 HA THR 3 HA THR 3 52.496 22.322 -8.553
16 HB THR 3 HB THR 3 50.644 22.822 -6.797
17 1HG2 THR 3 1HG2 THR 3 51.050 20.623 -8.062
18 2HG2 THR 3 2HG2 THR 3 51.771 20.064 -6.551
19 3HG2 THR 3 3HG2 THR 3 50.083 20.577 -6.586
20 H ALA 4 H ALA 4 51.721 24.234 -9.294
21 HA ALA 4 HA ALA 4 52.937 26.611 -8.217
22 1HB ALA 4 1HB ALA 4 51.258 26.227 -10.690
23 2HB ALA 4 2HB ALA 4 52.039 27.734 -10.210
24 3HB ALA 4 3HB ALA 4 53.016 26.323 -10.612
25 H VAL 5 H VAL 5 51.945 27.211 -6.446
26 HA VAL 5 HA VAL 5 49.265 28.318 -6.684
27 HB VAL 5 HB VAL 5 48.473 27.322 -4.574
28 1HG1 VAL 5 1HG1 VAL 5 47.948 26.289 -6.773
29 2HG1 VAL 5 2HG1 VAL 5 49.291 25.173 -6.522
30 3HG1 VAL 5 3HG1 VAL 5 47.911 25.157 -5.423
31 1HG2 VAL 5 1HG2 VAL 5 49.694 25.302 -3.702
32 2HG2 VAL 5 2HG2 VAL 5 51.055 25.767 -4.723
33 3HG2 VAL 5 3HG2 VAL 5 50.513 26.838 -3.431
34 H2 A2G 7 H2 A2G 7 54.869 22.163 -13.696
35 H4 A2G 7 H4 A2G 7 57.747 19.721 -15.387
36 H5 A2G 7 H5 A2G 7 58.454 20.504 -13.196
37 H1 A2G 7 H1 A2G 7 56.391 23.052 -12.100
38 H3 A2G 7 H3 A2G 7 56.016 19.385 -13.887
39 HO4 A2G 7 HO4 A2G 7 56.788 22.412 -15.959
40 1H6 A2G 7 1H6 A2G 7 60.390 20.693 -14.380
41 2H6 A2G 7 2H6 A2G 7 59.684 21.656 -15.660
42 HN2 A2G 7 HN2 A2G 7 55.244 20.143 -11.580
43 1H8 A2G 7 1H8 A2G 7 53.549 19.541 -10.508
44 2H8 A2G 7 2H8 A2G 7 52.316 20.804 -10.338
45 3H8 A2G 7 3H8 A2G 7 52.043 19.441 -11.440
46 H2 A2G 10 H2 A2G 10 56.420 26.266 -6.141
47 H4 A2G 10 H4 A2G 10 60.298 25.252 -5.215
48 H5 A2G 10 H5 A2G 10 58.899 23.329 -4.987
49 H1 A2G 10 H1 A2G 10 55.591 24.085 -5.451
50 H3 A2G 10 H3 A2G 10 59.061 25.149 -7.156
51 HO4 A2G 10 HO4 A2G 10 58.280 26.949 -3.987
52 1H6 A2G 10 1H6 A2G 10 59.086 24.702 -2.265
53 2H6 A2G 10 2H6 A2G 10 58.765 23.001 -2.533
54 HN2 A2G 10 HN2 A2G 10 57.097 24.303 -8.255
55 1H8 A2G 10 1H8 A2G 10 56.242 24.656 -10.172
56 2H8 A2G 10 2H8 A2G 10 54.496 24.726 -9.869
57 3H8 A2G 10 3H8 A2G 10 55.343 26.147 -10.510
58 H2 A2G 13 H2 A2G 13 51.044 23.941 -2.607
59 H4 A2G 13 H4 A2G 13 51.883 19.957 -2.118
60 H5 A2G 13 H5 A2G 13 51.257 20.277 -4.374
61 H1 A2G 13 H1 A2G 13 50.462 23.611 -4.944
62 H3 A2G 13 H3 A2G 13 53.155 21.796 -2.573
63 HO4 A2G 13 HO4 A2G 13 49.680 21.620 -1.210
64 1H6 A2G 13 1H6 A2G 13 48.430 20.021 -3.581
65 2H6 A2G 13 2H6 A2G 13 49.469 18.857 -4.392
66 HN2 A2G 13 HN2 A2G 13 53.462 23.647 -4.269
67 1H8 A2G 13 1H8 A2G 13 55.250 25.356 -3.093
68 2H8 A2G 13 2H8 A2G 13 54.413 25.806 -4.590
69 3H8 A2G 13 3H8 A2G 13 54.400 26.908 -3.202
Start of MODEL 38
1 1H ACE 0 1H ACE 0 9.130 -22.710 -41.415
2 2H ACE 0 2H ACE 0 10.033 -21.726 -42.571
3 3H ACE 0 3H ACE 0 10.875 -22.925 -41.585
4 H SER 1 H SER 1 7.996 -22.825 -43.605
5 HA SER 1 HA SER 1 8.458 -25.479 -44.644
6 1HB SER 1 1HB SER 1 6.341 -25.243 -45.738
7 2HB SER 1 2HB SER 1 6.170 -24.495 -44.149
8 H THR 2 H THR 2 8.707 -26.009 -46.862
9 HA THR 2 HA THR 2 10.271 -24.020 -48.339
10 HB THR 2 HB THR 2 10.798 -26.034 -49.810
11 1HG2 THR 2 1HG2 THR 2 11.830 -27.079 -47.378
12 2HG2 THR 2 2HG2 THR 2 12.665 -26.167 -48.638
13 3HG2 THR 2 3HG2 THR 2 11.884 -25.316 -47.305
14 H THR 3 H THR 3 10.059 -24.754 -50.892
15 HA THR 3 HA THR 3 7.261 -24.165 -51.561
16 HB THR 3 HB THR 3 8.349 -23.420 -53.758
17 1HG2 THR 3 1HG2 THR 3 9.271 -22.017 -51.264
18 2HG2 THR 3 2HG2 THR 3 9.144 -21.314 -52.880
19 3HG2 THR 3 3HG2 THR 3 7.688 -21.810 -52.017
20 H ALA 4 H ALA 4 6.327 -25.236 -53.415
21 HA ALA 4 HA ALA 4 7.198 -27.977 -53.601
22 1HB ALA 4 1HB ALA 4 4.780 -27.202 -53.338
23 2HB ALA 4 2HB ALA 4 4.854 -26.748 -55.041
24 3HB ALA 4 3HB ALA 4 5.087 -28.431 -54.564
25 H VAL 5 H VAL 5 5.930 -28.036 -56.380
26 HA VAL 5 HA VAL 5 8.421 -27.576 -57.819
27 HB VAL 5 HB VAL 5 5.870 -28.868 -58.820
28 1HG1 VAL 5 1HG1 VAL 5 8.666 -28.744 -59.935
29 2HG1 VAL 5 2HG1 VAL 5 7.439 -29.879 -60.500
30 3HG1 VAL 5 3HG1 VAL 5 7.180 -28.143 -60.667
31 1HG2 VAL 5 1HG2 VAL 5 7.069 -31.009 -58.455
32 2HG2 VAL 5 2HG2 VAL 5 8.365 -30.118 -57.656
33 3HG2 VAL 5 3HG2 VAL 5 6.748 -30.144 -56.954
34 H2 A2G 7 H2 A2G 7 3.673 -21.730 -47.112
35 H4 A2G 7 H4 A2G 7 4.916 -19.958 -43.648
36 H5 A2G 7 H5 A2G 7 5.844 -22.182 -43.732
37 H1 A2G 7 H1 A2G 7 4.519 -23.894 -46.488
38 H3 A2G 7 H3 A2G 7 5.860 -20.167 -45.732
39 HO4 A2G 7 HO4 A2G 7 2.375 -21.095 -44.479
40 1H6 A2G 7 1H6 A2G 7 4.550 -23.349 -41.997
41 2H6 A2G 7 2H6 A2G 7 4.542 -21.628 -41.648
42 HN2 A2G 7 HN2 A2G 7 6.587 -21.823 -47.543
43 1H8 A2G 7 1H8 A2G 7 6.988 -22.093 -49.849
44 2H8 A2G 7 2H8 A2G 7 5.913 -21.255 -50.982
45 3H8 A2G 7 3H8 A2G 7 6.897 -20.322 -49.840
46 H2 A2G 10 H2 A2G 10 8.552 -29.585 -50.573
47 H4 A2G 10 H4 A2G 10 9.737 -30.906 -46.874
48 H5 A2G 10 H5 A2G 10 10.824 -28.842 -47.344
49 H1 A2G 10 H1 A2G 10 10.115 -27.725 -50.525
50 H3 A2G 10 H3 A2G 10 8.071 -29.478 -47.573
51 HO4 A2G 10 HO4 A2G 10 10.082 -31.856 -49.597
52 1H6 A2G 10 1H6 A2G 10 12.594 -31.170 -48.226
53 2H6 A2G 10 2H6 A2G 10 13.189 -29.556 -47.902
54 HN2 A2G 10 HN2 A2G 10 7.468 -27.472 -48.813
55 1H8 A2G 10 1H8 A2G 10 5.794 -26.138 -50.926
56 2H8 A2G 10 2H8 A2G 10 4.596 -27.428 -50.721
57 3H8 A2G 10 3H8 A2G 10 5.467 -26.796 -49.312
58 H2 A2G 13 H2 A2G 13 12.246 -24.472 -55.453
59 H4 A2G 13 H4 A2G 13 13.528 -21.624 -52.778
60 H5 A2G 13 H5 A2G 13 11.169 -21.695 -52.678
61 H1 A2G 13 H1 A2G 13 9.927 -23.986 -54.972
62 H3 A2G 13 H3 A2G 13 13.241 -23.874 -52.671
63 HO4 A2G 13 HO4 A2G 13 13.404 -21.638 -55.688
64 1H6 A2G 13 1H6 A2G 13 10.620 -19.565 -53.403
65 2H6 A2G 13 2H6 A2G 13 12.360 -19.464 -53.613
66 HN2 A2G 13 HN2 A2G 13 11.799 -25.648 -52.787
67 1H8 A2G 13 1H8 A2G 13 11.632 -27.744 -52.678
68 2H8 A2G 13 2H8 A2G 13 10.550 -28.387 -53.927
69 3H8 A2G 13 3H8 A2G 13 12.295 -28.683 -54.028
Start of MODEL 39
1 1H ACE 0 1H ACE 0 36.588 -19.274 9.417
2 2H ACE 0 2H ACE 0 35.549 -19.885 8.126
3 3H ACE 0 3H ACE 0 34.885 -19.609 9.739
4 H SER 1 H SER 1 33.689 -18.583 7.588
5 HA SER 1 HA SER 1 34.475 -15.847 7.109
6 1HB SER 1 1HB SER 1 32.624 -15.749 5.606
7 2HB SER 1 2HB SER 1 33.290 -17.375 5.434
8 H THR 2 H THR 2 33.060 -14.005 7.527
9 HA THR 2 HA THR 2 31.782 -14.257 10.148
10 HB THR 2 HB THR 2 31.770 -11.682 9.965
11 1HG2 THR 2 1HG2 THR 2 34.018 -11.425 10.651
12 2HG2 THR 2 2HG2 THR 2 33.419 -12.949 11.302
13 3HG2 THR 2 3HG2 THR 2 34.483 -12.950 9.895
14 H THR 3 H THR 3 30.074 -11.940 9.836
15 HA THR 3 HA THR 3 27.908 -13.171 8.312
16 HB THR 3 HB THR 3 26.591 -11.366 9.652
17 1HG2 THR 3 1HG2 THR 3 26.875 -13.906 10.194
18 2HG2 THR 3 2HG2 THR 3 27.891 -13.295 11.500
19 3HG2 THR 3 3HG2 THR 3 26.202 -12.802 11.394
20 H ALA 4 H ALA 4 26.621 -11.893 6.888
21 HA ALA 4 HA ALA 4 28.150 -9.845 5.570
22 1HB ALA 4 1HB ALA 4 26.862 -11.717 4.407
23 2HB ALA 4 2HB ALA 4 25.403 -10.799 4.783
24 3HB ALA 4 3HB ALA 4 26.652 -10.092 3.757
25 H VAL 5 H VAL 5 25.502 -8.658 4.631
26 HA VAL 5 HA VAL 5 25.362 -6.632 6.719
27 HB VAL 5 HB VAL 5 23.974 -5.358 5.065
28 1HG1 VAL 5 1HG1 VAL 5 26.667 -6.259 4.049
29 2HG1 VAL 5 2HG1 VAL 5 25.830 -4.768 3.617
30 3HG1 VAL 5 3HG1 VAL 5 26.392 -5.018 5.270
31 1HG2 VAL 5 1HG2 VAL 5 23.143 -7.352 3.819
32 2HG2 VAL 5 2HG2 VAL 5 23.826 -6.107 2.773
33 3HG2 VAL 5 3HG2 VAL 5 24.758 -7.558 3.143
34 H2 A2G 7 H2 A2G 7 28.606 -18.152 5.220
35 H4 A2G 7 H4 A2G 7 31.073 -21.386 5.916
36 H5 A2G 7 H5 A2G 7 32.310 -19.316 6.083
37 H1 A2G 7 H1 A2G 7 30.447 -16.688 4.816
38 H3 A2G 7 H3 A2G 7 29.925 -19.911 7.277
39 HO4 A2G 7 HO4 A2G 7 29.690 -20.350 3.577
40 1H6 A2G 7 1H6 A2G 7 32.654 -20.690 3.374
41 2H6 A2G 7 2H6 A2G 7 33.795 -19.544 4.046
42 HN2 A2G 7 HN2 A2G 7 29.756 -17.462 7.845
43 1H8 A2G 7 1H8 A2G 7 26.495 -16.321 8.779
44 2H8 A2G 7 2H8 A2G 7 27.862 -17.213 9.472
45 3H8 A2G 7 3H8 A2G 7 28.125 -15.629 8.723
46 H2 A2G 10 H2 A2G 10 31.849 -9.151 6.482
47 H4 A2G 10 H4 A2G 10 35.839 -9.888 6.529
48 H5 A2G 10 H5 A2G 10 34.929 -10.854 8.498
49 H1 A2G 10 H1 A2G 10 31.502 -10.277 8.628
50 H3 A2G 10 H3 A2G 10 34.060 -11.071 5.708
51 HO4 A2G 10 HO4 A2G 10 34.252 -7.497 6.973
52 1H6 A2G 10 1H6 A2G 10 35.151 -8.263 9.862
53 2H6 A2G 10 2H6 A2G 10 36.193 -9.666 9.976
54 HN2 A2G 10 HN2 A2G 10 31.820 -12.091 6.183
55 1H8 A2G 10 1H8 A2G 10 30.574 -12.676 4.178
56 2H8 A2G 10 2H8 A2G 10 29.308 -12.522 5.409
57 3H8 A2G 10 3H8 A2G 10 29.148 -11.670 3.862
58 H2 A2G 13 H2 A2G 13 28.007 -7.865 11.761
59 H4 A2G 13 H4 A2G 13 29.762 -10.488 14.392
60 H5 A2G 13 H5 A2G 13 28.447 -11.724 12.828
61 H1 A2G 13 H1 A2G 13 26.735 -9.641 10.684
62 H3 A2G 13 H3 A2G 13 30.381 -9.654 12.345
63 HO4 A2G 13 HO4 A2G 13 27.634 -8.524 14.641
64 1H6 A2G 13 1H6 A2G 13 27.763 -11.701 15.471
65 2H6 A2G 13 2H6 A2G 13 26.210 -11.284 14.747
66 HN2 A2G 13 HN2 A2G 13 29.975 -9.320 10.110
67 1H8 A2G 13 1H8 A2G 13 30.362 -6.518 8.220
68 2H8 A2G 13 2H8 A2G 13 30.761 -8.229 8.442
69 3H8 A2G 13 3H8 A2G 13 29.360 -7.767 7.459
Start of MODEL 40
1 1H ACE 0 1H ACE 0 10.311 9.687 -8.551
2 2H ACE 0 2H ACE 0 10.460 8.378 -7.374
3 3H ACE 0 3H ACE 0 8.887 8.751 -8.086
4 H SER 1 H SER 1 11.977 8.669 -9.686
5 HA SER 1 HA SER 1 11.003 6.857 -11.716
6 1HB SER 1 1HB SER 1 13.179 7.246 -12.786
7 2HB SER 1 2HB SER 1 12.466 8.781 -12.281
8 H THR 2 H THR 2 12.227 4.930 -12.377
9 HA THR 2 HA THR 2 13.062 3.395 -10.026
10 HB THR 2 HB THR 2 12.892 1.476 -11.773
11 1HG2 THR 2 1HG2 THR 2 10.406 3.008 -11.094
12 2HG2 THR 2 2HG2 THR 2 10.490 1.330 -11.632
13 3HG2 THR 2 3HG2 THR 2 11.188 1.794 -10.080
14 H THR 3 H THR 3 14.587 1.443 -11.612
15 HA THR 3 HA THR 3 17.097 2.917 -11.799
16 HB THR 3 HB THR 3 17.966 0.458 -11.890
17 1HG2 THR 3 1HG2 THR 3 18.057 0.273 -9.535
18 2HG2 THR 3 2HG2 THR 3 18.108 1.998 -9.899
19 3HG2 THR 3 3HG2 THR 3 16.609 1.260 -9.332
20 H ALA 4 H ALA 4 18.332 2.924 -13.633
21 HA ALA 4 HA ALA 4 16.976 2.196 -16.063
22 1HB ALA 4 1HB ALA 4 18.816 3.344 -17.207
23 2HB ALA 4 2HB ALA 4 18.072 4.363 -15.976
24 3HB ALA 4 3HB ALA 4 19.624 3.586 -15.661
25 H VAL 5 H VAL 5 17.024 0.127 -16.386
26 HA VAL 5 HA VAL 5 19.460 -1.434 -16.052
27 HB VAL 5 HB VAL 5 17.246 -2.312 -15.273
28 1HG1 VAL 5 1HG1 VAL 5 15.617 -3.120 -16.817
29 2HG1 VAL 5 2HG1 VAL 5 15.949 -1.435 -17.220
30 3HG1 VAL 5 3HG1 VAL 5 16.644 -2.730 -18.195
31 1HG2 VAL 5 1HG2 VAL 5 17.679 -4.562 -15.906
32 2HG2 VAL 5 2HG2 VAL 5 18.448 -4.063 -17.413
33 3HG2 VAL 5 3HG2 VAL 5 19.241 -3.746 -15.870
34 H2 A2G 7 H2 A2G 7 17.294 8.480 -11.612
35 H4 A2G 7 H4 A2G 7 15.590 11.559 -9.541
36 H5 A2G 7 H5 A2G 7 13.839 10.321 -10.668
37 H1 A2G 7 H1 A2G 7 15.262 7.937 -12.785
38 H3 A2G 7 H3 A2G 7 15.920 9.334 -9.058
39 HO4 A2G 7 HO4 A2G 7 17.107 11.438 -12.016
40 1H6 A2G 7 1H6 A2G 7 13.945 12.015 -12.952
41 2H6 A2G 7 2H6 A2G 7 13.063 12.297 -11.461
42 HN2 A2G 7 HN2 A2G 7 15.519 6.932 -9.840
43 1H8 A2G 7 1H8 A2G 7 16.214 4.989 -9.307
44 2H8 A2G 7 2H8 A2G 7 17.685 4.329 -10.045
45 3H8 A2G 7 3H8 A2G 7 17.787 5.235 -8.525
46 H2 A2G 10 H2 A2G 10 13.583 2.180 -15.997
47 H4 A2G 10 H4 A2G 10 9.527 2.563 -15.960
48 H5 A2G 10 H5 A2G 10 10.180 1.848 -13.820
49 H1 A2G 10 H1 A2G 10 13.611 1.534 -13.631
50 H3 A2G 10 H3 A2G 10 11.225 4.040 -15.558
51 HO4 A2G 10 HO4 A2G 10 11.358 0.748 -17.294
52 1H6 A2G 10 1H6 A2G 10 8.793 0.108 -15.343
53 2H6 A2G 10 2H6 A2G 10 10.200 -0.898 -15.031
54 HN2 A2G 10 HN2 A2G 10 13.282 4.526 -14.225
55 1H8 A2G 10 1H8 A2G 10 15.818 5.402 -14.079
56 2H8 A2G 10 2H8 A2G 10 16.216 5.849 -15.748
57 3H8 A2G 10 3H8 A2G 10 14.658 6.326 -15.050
58 H2 A2G 13 H2 A2G 13 15.824 -3.268 -12.602
59 H4 A2G 13 H4 A2G 13 14.311 -2.630 -8.848
60 H5 A2G 13 H5 A2G 13 15.935 -0.970 -9.276
61 H1 A2G 13 H1 A2G 13 17.391 -1.422 -12.382
62 H3 A2G 13 H3 A2G 13 13.710 -1.907 -10.929
63 HO4 A2G 13 HO4 A2G 13 15.934 -4.729 -10.013
64 1H6 A2G 13 1H6 A2G 13 17.740 -3.158 -8.201
65 2H6 A2G 13 2H6 A2G 13 17.651 -1.472 -7.743
66 HN2 A2G 13 HN2 A2G 13 14.420 -0.702 -12.958
67 1H8 A2G 13 1H8 A2G 13 13.812 -1.685 -16.288
68 2H8 A2G 13 2H8 A2G 13 12.573 -1.443 -15.044
69 3H8 A2G 13 3H8 A2G 13 13.948 -0.327 -15.155
Start of MODEL 41
1 1H ACE 0 1H ACE 0 -35.213 19.743 -31.754
2 2H ACE 0 2H ACE 0 -36.194 18.440 -31.075
3 3H ACE 0 3H ACE 0 -34.437 18.410 -30.893
4 H SER 1 H SER 1 -35.688 18.056 -28.699
5 HA SER 1 HA SER 1 -36.332 20.501 -27.301
6 1HB SER 1 1HB SER 1 -36.584 18.978 -25.330
7 2HB SER 1 2HB SER 1 -37.543 18.477 -26.721
8 H THR 2 H THR 2 -35.286 20.377 -24.872
9 HA THR 2 HA THR 2 -32.436 20.861 -25.323
10 HB THR 2 HB THR 2 -32.673 21.867 -22.943
11 1HG2 THR 2 1HG2 THR 2 -32.793 23.089 -25.259
12 2HG2 THR 2 2HG2 THR 2 -34.474 23.331 -24.775
13 3HG2 THR 2 3HG2 THR 2 -33.165 23.917 -23.748
14 H THR 3 H THR 3 -31.588 20.548 -22.605
15 HA THR 3 HA THR 3 -31.468 17.630 -22.460
16 HB THR 3 HB THR 3 -29.533 18.153 -20.892
17 1HG2 THR 3 1HG2 THR 3 -29.314 17.794 -23.433
18 2HG2 THR 3 2HG2 THR 3 -29.076 19.542 -23.497
19 3HG2 THR 3 3HG2 THR 3 -27.971 18.536 -22.561
20 H ALA 4 H ALA 4 -31.172 16.832 -20.138
21 HA ALA 4 HA ALA 4 -32.594 18.309 -18.118
22 1HB ALA 4 1HB ALA 4 -33.866 15.825 -17.966
23 2HB ALA 4 2HB ALA 4 -34.584 17.358 -18.454
24 3HB ALA 4 3HB ALA 4 -33.922 16.266 -19.670
25 H VAL 5 H VAL 5 -31.235 18.119 -16.465
26 HA VAL 5 HA VAL 5 -29.686 15.673 -16.101
27 HB VAL 5 HB VAL 5 -28.504 16.952 -14.308
28 1HG1 VAL 5 1HG1 VAL 5 -28.567 18.365 -16.970
29 2HG1 VAL 5 2HG1 VAL 5 -27.240 18.350 -15.808
30 3HG1 VAL 5 3HG1 VAL 5 -27.700 16.866 -16.642
31 1HG2 VAL 5 1HG2 VAL 5 -28.863 19.332 -14.066
32 2HG2 VAL 5 2HG2 VAL 5 -30.113 19.308 -15.310
33 3HG2 VAL 5 3HG2 VAL 5 -30.383 18.491 -13.770
34 H2 A2G 7 H2 A2G 7 -35.248 14.910 -24.182
35 H4 A2G 7 H4 A2G 7 -37.562 13.634 -27.325
36 H5 A2G 7 H5 A2G 7 -37.542 16.064 -27.275
37 H1 A2G 7 H1 A2G 7 -36.064 17.150 -24.302
38 H3 A2G 7 H3 A2G 7 -35.385 14.333 -27.145
39 HO4 A2G 7 HO4 A2G 7 -37.930 13.682 -24.436
40 1H6 A2G 7 1H6 A2G 7 -39.806 16.083 -27.432
41 2H6 A2G 7 2H6 A2G 7 -39.868 14.502 -26.688
42 HN2 A2G 7 HN2 A2G 7 -33.871 16.243 -26.424
43 1H8 A2G 7 1H8 A2G 7 -31.793 16.774 -25.986
44 2H8 A2G 7 2H8 A2G 7 -30.980 16.210 -24.515
45 3H8 A2G 7 3H8 A2G 7 -31.132 15.130 -25.911
46 H2 A2G 10 H2 A2G 10 -35.558 21.172 -19.867
47 H4 A2G 10 H4 A2G 10 -38.079 23.473 -22.085
48 H5 A2G 10 H5 A2G 10 -35.934 23.497 -23.138
49 H1 A2G 10 H1 A2G 10 -33.640 21.690 -21.269
50 H3 A2G 10 H3 A2G 10 -37.506 21.252 -22.182
51 HO4 A2G 10 HO4 A2G 10 -36.786 23.843 -19.511
52 1H6 A2G 10 1H6 A2G 10 -35.241 25.786 -21.389
53 2H6 A2G 10 2H6 A2G 10 -35.583 25.743 -23.104
54 HN2 A2G 10 HN2 A2G 10 -35.612 19.609 -22.372
55 1H8 A2G 10 1H8 A2G 10 -35.937 16.689 -20.461
56 2H8 A2G 10 2H8 A2G 10 -36.056 17.425 -22.069
57 3H8 A2G 10 3H8 A2G 10 -34.464 17.186 -21.318
58 H2 A2G 13 H2 A2G 13 -29.391 21.570 -18.211
59 H4 A2G 13 H4 A2G 13 -27.663 23.402 -21.422
60 H5 A2G 13 H5 A2G 13 -27.874 21.118 -21.934
61 H1 A2G 13 H1 A2G 13 -29.367 19.391 -19.331
62 H3 A2G 13 H3 A2G 13 -29.839 23.066 -20.806
63 HO4 A2G 13 HO4 A2G 13 -26.775 22.860 -18.711
64 1H6 A2G 13 1H6 A2G 13 -25.406 22.123 -21.610
65 2H6 A2G 13 2H6 A2G 13 -25.302 20.841 -20.403
66 HN2 A2G 13 HN2 A2G 13 -31.598 21.609 -20.173
67 1H8 A2G 13 1H8 A2G 13 -33.688 20.348 -18.299
68 2H8 A2G 13 2H8 A2G 13 -33.766 21.921 -17.488
69 3H8 A2G 13 3H8 A2G 13 -33.573 21.842 -19.245
Start of MODEL 42
1 1H ACE 0 1H ACE 0 -11.941 1.376 -10.211
2 2H ACE 0 2H ACE 0 -10.241 1.014 -9.898
3 3H ACE 0 3H ACE 0 -10.810 1.221 -11.558
4 H SER 1 H SER 1 -10.875 3.130 -12.439
5 HA SER 1 HA SER 1 -9.633 5.346 -11.074
6 1HB SER 1 1HB SER 1 -9.817 6.487 -13.277
7 2HB SER 1 2HB SER 1 -9.027 4.916 -13.393
8 H THR 2 H THR 2 -10.672 7.617 -11.664
9 HA THR 2 HA THR 2 -13.353 7.532 -10.501
10 HB THR 2 HB THR 2 -12.887 10.096 -10.355
11 1HG2 THR 2 1HG2 THR 2 -12.255 8.003 -8.630
12 2HG2 THR 2 2HG2 THR 2 -10.840 9.059 -8.658
13 3HG2 THR 2 3HG2 THR 2 -12.425 9.716 -8.245
14 H THR 3 H THR 3 -14.140 10.158 -11.515
15 HA THR 3 HA THR 3 -15.029 9.348 -14.169
16 HB THR 3 HB THR 3 -16.588 11.395 -13.724
17 1HG2 THR 3 1HG2 THR 3 -17.121 8.855 -13.477
18 2HG2 THR 3 2HG2 THR 3 -17.056 9.213 -11.749
19 3HG2 THR 3 3HG2 THR 3 -18.209 10.060 -12.782
20 H ALA 4 H ALA 4 -14.726 10.639 -15.974
21 HA ALA 4 HA ALA 4 -12.579 12.551 -15.757
22 1HB ALA 4 1HB ALA 4 -12.775 10.772 -17.575
23 2HB ALA 4 2HB ALA 4 -14.038 11.780 -18.281
24 3HB ALA 4 3HB ALA 4 -12.397 12.407 -18.116
25 H VAL 5 H VAL 5 -13.791 13.905 -18.237
26 HA VAL 5 HA VAL 5 -15.218 15.953 -16.731
27 HB VAL 5 HB VAL 5 -15.027 17.318 -18.803
28 1HG1 VAL 5 1HG1 VAL 5 -12.593 17.649 -18.682
29 2HG1 VAL 5 2HG1 VAL 5 -13.336 17.509 -17.088
30 3HG1 VAL 5 3HG1 VAL 5 -12.448 16.147 -17.773
31 1HG2 VAL 5 1HG2 VAL 5 -13.346 15.038 -19.859
32 2HG2 VAL 5 2HG2 VAL 5 -14.985 15.403 -20.397
33 3HG2 VAL 5 3HG2 VAL 5 -13.687 16.566 -20.668
34 H2 A2G 7 H2 A2G 7 -11.599 5.445 -17.338
35 H4 A2G 7 H4 A2G 7 -10.936 1.469 -16.414
36 H5 A2G 7 H5 A2G 7 -10.243 2.896 -14.569
37 H1 A2G 7 H1 A2G 7 -10.167 6.210 -15.606
38 H3 A2G 7 H3 A2G 7 -12.629 2.958 -15.982
39 HO4 A2G 7 HO4 A2G 7 -9.638 3.350 -18.224
40 1H6 A2G 7 1H6 A2G 7 -8.362 1.415 -16.212
41 2H6 A2G 7 2H6 A2G 7 -7.548 2.818 -15.529
42 HN2 A2G 7 HN2 A2G 7 -13.070 5.147 -14.794
43 1H8 A2G 7 1H8 A2G 7 -14.940 6.129 -14.638
44 2H8 A2G 7 2H8 A2G 7 -14.830 7.744 -15.361
45 3H8 A2G 7 3H8 A2G 7 -15.832 6.499 -16.125
46 H2 A2G 10 H2 A2G 10 -10.292 12.073 -13.167
47 H4 A2G 10 H4 A2G 10 -7.434 11.270 -10.386
48 H5 A2G 10 H5 A2G 10 -9.512 10.671 -9.435
49 H1 A2G 10 H1 A2G 10 -12.082 11.274 -11.693
50 H3 A2G 10 H3 A2G 10 -8.362 10.008 -12.054
51 HO4 A2G 10 HO4 A2G 10 -8.595 13.723 -11.422
52 1H6 A2G 10 1H6 A2G 10 -9.524 12.128 -7.674
53 2H6 A2G 10 2H6 A2G 10 -8.184 12.900 -8.505
54 HN2 A2G 10 HN2 A2G 10 -10.419 9.120 -13.131
55 1H8 A2G 10 1H8 A2G 10 -11.891 9.156 -16.142
56 2H8 A2G 10 2H8 A2G 10 -10.151 8.843 -16.278
57 3H8 A2G 10 3H8 A2G 10 -11.066 8.185 -14.909
58 H2 A2G 13 H2 A2G 13 -16.191 14.588 -10.850
59 H4 A2G 13 H4 A2G 13 -17.125 11.769 -8.033
60 H5 A2G 13 H5 A2G 13 -17.366 10.783 -10.175
61 H1 A2G 13 H1 A2G 13 -16.744 13.082 -12.679
62 H3 A2G 13 H3 A2G 13 -15.183 12.360 -9.074
63 HO4 A2G 13 HO4 A2G 13 -18.443 14.192 -8.956
64 1H6 A2G 13 1H6 A2G 13 -19.689 11.452 -8.661
65 2H6 A2G 13 2H6 A2G 13 -20.114 11.672 -10.342
66 HN2 A2G 13 HN2 A2G 13 -14.015 12.642 -11.301
67 1H8 A2G 13 1H8 A2G 13 -11.735 14.312 -10.741
68 2H8 A2G 13 2H8 A2G 13 -12.220 13.654 -12.312
69 3H8 A2G 13 3H8 A2G 13 -11.958 15.397 -12.123
Start of MODEL 43
1 1H ACE 0 1H ACE 0 34.039 43.791 -9.522
2 2H ACE 0 2H ACE 0 34.802 42.974 -8.154
3 3H ACE 0 3H ACE 0 35.748 43.354 -9.597
4 H SER 1 H SER 1 33.505 45.072 -7.503
5 HA SER 1 HA SER 1 35.511 46.929 -6.585
6 1HB SER 1 1HB SER 1 34.565 48.911 -7.520
7 2HB SER 1 2HB SER 1 34.735 47.773 -8.860
8 H THR 2 H THR 2 34.524 48.606 -5.146
9 HA THR 2 HA THR 2 32.432 47.364 -3.520
10 HB THR 2 HB THR 2 33.232 49.276 -1.912
11 1HG2 THR 2 1HG2 THR 2 34.311 46.655 -2.440
12 2HG2 THR 2 2HG2 THR 2 35.537 47.753 -1.801
13 3HG2 THR 2 3HG2 THR 2 34.040 47.484 -0.907
14 H THR 3 H THR 3 31.594 49.684 -2.162
15 HA THR 3 HA THR 3 29.876 50.916 -4.170
16 HB THR 3 HB THR 3 28.691 51.582 -1.907
17 1HG2 THR 3 1HG2 THR 3 27.431 49.580 -1.912
18 2HG2 THR 3 2HG2 THR 3 27.908 49.871 -3.586
19 3HG2 THR 3 3HG2 THR 3 28.768 48.671 -2.618
20 H ALA 4 H ALA 4 29.199 53.220 -3.543
21 HA ALA 4 HA ALA 4 31.201 54.776 -2.186
22 1HB ALA 4 1HB ALA 4 31.778 54.360 -4.741
23 2HB ALA 4 2HB ALA 4 30.634 55.677 -4.974
24 3HB ALA 4 3HB ALA 4 32.072 55.921 -3.981
25 H VAL 5 H VAL 5 30.234 57.192 -3.706
26 HA VAL 5 HA VAL 5 27.811 57.615 -2.145
27 HB VAL 5 HB VAL 5 29.388 59.617 -3.784
28 1HG1 VAL 5 1HG1 VAL 5 27.186 60.438 -3.456
29 2HG1 VAL 5 2HG1 VAL 5 27.175 59.932 -1.766
30 3HG1 VAL 5 3HG1 VAL 5 28.214 61.260 -2.285
31 1HG2 VAL 5 1HG2 VAL 5 30.812 58.772 -2.044
32 2HG2 VAL 5 2HG2 VAL 5 30.246 60.370 -1.555
33 3HG2 VAL 5 3HG2 VAL 5 29.526 58.923 -0.848
34 H2 A2G 7 H2 A2G 7 30.595 49.335 -10.222
35 H4 A2G 7 H4 A2G 7 31.587 45.477 -11.227
36 H5 A2G 7 H5 A2G 7 33.216 46.341 -9.645
37 H1 A2G 7 H1 A2G 7 32.730 49.776 -9.250
38 H3 A2G 7 H3 A2G 7 30.431 46.427 -9.473
39 HO4 A2G 7 HO4 A2G 7 31.842 48.004 -12.645
40 1H6 A2G 7 1H6 A2G 7 35.212 46.366 -11.006
41 2H6 A2G 7 2H6 A2G 7 34.080 45.288 -11.805
42 HN2 A2G 7 HN2 A2G 7 30.684 48.086 -7.551
43 1H8 A2G 7 1H8 A2G 7 29.044 50.148 -6.206
44 2H8 A2G 7 2H8 A2G 7 27.549 49.445 -6.849
45 3H8 A2G 7 3H8 A2G 7 28.867 48.387 -6.316
46 H2 A2G 10 H2 A2G 10 35.352 52.841 -2.967
47 H4 A2G 10 H4 A2G 10 38.624 50.476 -3.357
48 H5 A2G 10 H5 A2G 10 36.907 49.157 -2.379
49 H1 A2G 10 H1 A2G 10 34.023 51.046 -1.957
50 H3 A2G 10 H3 A2G 10 36.812 50.854 -4.721
51 HO4 A2G 10 HO4 A2G 10 37.930 52.646 -1.558
52 1H6 A2G 10 1H6 A2G 10 37.501 49.032 0.001
53 2H6 A2G 10 2H6 A2G 10 38.944 49.225 -0.977
54 HN2 A2G 10 HN2 A2G 10 34.416 50.982 -5.065
55 1H8 A2G 10 1H8 A2G 10 32.964 53.597 -6.698
56 2H8 A2G 10 2H8 A2G 10 33.201 51.842 -6.603
57 3H8 A2G 10 3H8 A2G 10 31.870 52.609 -5.709
58 H2 A2G 13 H2 A2G 13 29.510 50.462 2.323
59 H4 A2G 13 H4 A2G 13 30.256 46.671 0.885
60 H5 A2G 13 H5 A2G 13 29.421 48.025 -0.884
61 H1 A2G 13 H1 A2G 13 28.515 51.164 0.241
62 H3 A2G 13 H3 A2G 13 31.516 48.583 1.058
63 HO4 A2G 13 HO4 A2G 13 28.329 47.765 2.764
64 1H6 A2G 13 1H6 A2G 13 28.116 45.863 -0.362
65 2H6 A2G 13 2H6 A2G 13 26.862 46.884 0.315
66 HN2 A2G 13 HN2 A2G 13 31.612 51.013 0.326
67 1H8 A2G 13 1H8 A2G 13 32.300 53.795 1.592
68 2H8 A2G 13 2H8 A2G 13 33.377 52.796 2.585
69 3H8 A2G 13 3H8 A2G 13 33.121 52.394 0.877
Start of MODEL 44
1 1H ACE 0 1H ACE 0 63.065 14.143 -16.803
2 2H ACE 0 2H ACE 0 61.710 15.123 -16.234
3 3H ACE 0 3H ACE 0 61.604 14.286 -17.785
4 H SER 1 H SER 1 62.357 13.593 -14.415
5 HA SER 1 HA SER 1 61.286 10.917 -14.562
6 1HB SER 1 1HB SER 1 62.065 10.642 -12.329
7 2HB SER 1 2HB SER 1 63.276 11.641 -13.136
8 H THR 2 H THR 2 59.748 10.153 -12.851
9 HA THR 2 HA THR 2 57.445 11.962 -12.777
10 HB THR 2 HB THR 2 56.306 9.751 -12.012
11 1HG2 THR 2 1HG2 THR 2 56.413 8.782 -14.352
12 2HG2 THR 2 2HG2 THR 2 55.792 10.423 -14.180
13 3HG2 THR 2 3HG2 THR 2 57.441 10.160 -14.748
14 H THR 3 H THR 3 56.144 10.645 -10.546
15 HA THR 3 HA THR 3 57.603 11.894 -8.347
16 HB THR 3 HB THR 3 55.302 11.517 -7.210
17 1HG2 THR 3 1HG2 THR 3 54.399 13.518 -8.027
18 2HG2 THR 3 2HG2 THR 3 56.144 13.710 -8.194
19 3HG2 THR 3 3HG2 THR 3 55.161 13.317 -9.605
20 H ALA 4 H ALA 4 58.059 10.771 -6.441
21 HA ALA 4 HA ALA 4 58.206 7.911 -6.753
22 1HB ALA 4 1HB ALA 4 60.043 9.468 -5.806
23 2HB ALA 4 2HB ALA 4 59.104 9.420 -4.314
24 3HB ALA 4 3HB ALA 4 59.754 7.929 -4.997
25 H VAL 5 H VAL 5 58.084 7.698 -3.715
26 HA VAL 5 HA VAL 5 55.251 8.078 -3.186
27 HB VAL 5 HB VAL 5 55.136 5.641 -2.333
28 1HG1 VAL 5 1HG1 VAL 5 53.919 6.629 -4.296
29 2HG1 VAL 5 2HG1 VAL 5 55.207 5.997 -5.321
30 3HG1 VAL 5 3HG1 VAL 5 54.204 4.892 -4.382
31 1HG2 VAL 5 1HG2 VAL 5 57.539 5.148 -2.627
32 2HG2 VAL 5 2HG2 VAL 5 56.517 4.029 -3.528
33 3HG2 VAL 5 3HG2 VAL 5 57.353 5.334 -4.370
34 H2 A2G 7 H2 A2G 7 62.991 13.504 -8.769
35 H4 A2G 7 H4 A2G 7 64.897 15.599 -11.742
36 H5 A2G 7 H5 A2G 7 63.900 13.627 -12.702
37 H1 A2G 7 H1 A2G 7 62.661 11.578 -10.156
38 H3 A2G 7 H3 A2G 7 62.746 15.569 -10.943
39 HO4 A2G 7 HO4 A2G 7 65.889 13.934 -9.578
40 1H6 A2G 7 1H6 A2G 7 65.879 12.245 -13.222
41 2H6 A2G 7 2H6 A2G 7 66.321 13.945 -13.232
42 HN2 A2G 7 HN2 A2G 7 60.744 14.006 -10.612
43 1H8 A2G 7 1H8 A2G 7 58.614 13.752 -8.130
44 2H8 A2G 7 2H8 A2G 7 58.943 15.482 -8.336
45 3H8 A2G 7 3H8 A2G 7 58.874 14.418 -9.752
46 H2 A2G 10 H2 A2G 10 58.286 6.472 -10.025
47 H4 A2G 10 H4 A2G 10 59.050 5.221 -13.816
48 H5 A2G 10 H5 A2G 10 57.658 7.137 -13.969
49 H1 A2G 10 H1 A2G 10 56.863 8.301 -10.801
50 H3 A2G 10 H3 A2G 10 60.098 6.704 -12.436
51 HO4 A2G 10 HO4 A2G 10 57.384 4.182 -11.675
52 1H6 A2G 10 1H6 A2G 10 55.283 5.458 -13.648
53 2H6 A2G 10 2H6 A2G 10 55.977 6.132 -15.110
54 HN2 A2G 10 HN2 A2G 10 59.912 8.735 -11.012
55 1H8 A2G 10 1H8 A2G 10 60.756 9.441 -7.738
56 2H8 A2G 10 2H8 A2G 10 61.964 8.709 -8.808
57 3H8 A2G 10 3H8 A2G 10 60.840 9.926 -9.441
58 H2 A2G 13 H2 A2G 13 52.140 8.734 -8.297
59 H4 A2G 13 H4 A2G 13 51.241 11.581 -11.116
60 H5 A2G 13 H5 A2G 13 53.007 12.380 -9.758
61 H1 A2G 13 H1 A2G 13 53.799 10.166 -7.248
62 H3 A2G 13 H3 A2G 13 52.675 9.786 -11.080
63 HO4 A2G 13 HO4 A2G 13 49.778 10.405 -8.907
64 1H6 A2G 13 1H6 A2G 13 51.298 14.064 -9.821
65 2H6 A2G 13 2H6 A2G 13 50.337 13.272 -8.589
66 HN2 A2G 13 HN2 A2G 13 54.650 8.751 -9.842
67 1H8 A2G 13 1H8 A2G 13 54.805 5.238 -9.240
68 2H8 A2G 13 2H8 A2G 13 54.838 6.184 -10.737
69 3H8 A2G 13 3H8 A2G 13 55.802 6.700 -9.343
Start of MODEL 45
1 1H ACE 0 1H ACE 0 29.355 2.940 -11.703
2 2H ACE 0 2H ACE 0 27.740 3.414 -11.169
3 3H ACE 0 3H ACE 0 29.011 3.114 -9.980
4 H SER 1 H SER 1 27.928 5.309 -9.525
5 HA SER 1 HA SER 1 28.972 7.535 -11.034
6 1HB SER 1 1HB SER 1 27.844 8.901 -9.257
7 2HB SER 1 2HB SER 1 26.772 7.759 -10.064
8 H THR 2 H THR 2 29.586 9.365 -8.978
9 HA THR 2 HA THR 2 32.249 8.404 -8.258
10 HB THR 2 HB THR 2 32.561 10.874 -7.637
11 1HG2 THR 2 1HG2 THR 2 32.059 11.420 -10.293
12 2HG2 THR 2 2HG2 THR 2 33.569 10.813 -9.610
13 3HG2 THR 2 3HG2 THR 2 32.384 9.685 -10.269
14 H THR 3 H THR 3 32.865 9.997 -6.104
15 HA THR 3 HA THR 3 31.284 8.758 -3.970
16 HB THR 3 HB THR 3 33.339 9.453 -2.604
17 1HG2 THR 3 1HG2 THR 3 34.569 7.575 -3.164
18 2HG2 THR 3 2HG2 THR 3 32.949 7.154 -3.723
19 3HG2 THR 3 3HG2 THR 3 34.167 7.705 -4.877
20 H ALA 4 H ALA 4 30.604 10.007 -2.164
21 HA ALA 4 HA ALA 4 30.021 12.741 -2.859
22 1HB ALA 4 1HB ALA 4 29.214 11.316 -0.327
23 2HB ALA 4 2HB ALA 4 28.437 12.703 -1.091
24 3HB ALA 4 3HB ALA 4 28.347 11.113 -1.848
25 H VAL 5 H VAL 5 29.901 13.332 0.128
26 HA VAL 5 HA VAL 5 32.717 13.539 0.825
27 HB VAL 5 HB VAL 5 32.331 16.037 1.370
28 1HG1 VAL 5 1HG1 VAL 5 33.828 15.075 -0.406
29 2HG1 VAL 5 2HG1 VAL 5 32.513 15.342 -1.552
30 3HG1 VAL 5 3HG1 VAL 5 33.242 16.710 -0.711
31 1HG2 VAL 5 1HG2 VAL 5 30.759 17.208 -0.081
32 2HG2 VAL 5 2HG2 VAL 5 30.229 15.675 -0.774
33 3HG2 VAL 5 3HG2 VAL 5 29.906 16.036 0.922
34 H2 A2G 7 H2 A2G 7 25.836 8.111 -5.312
35 H4 A2G 7 H4 A2G 7 23.689 5.228 -7.311
36 H5 A2G 7 H5 A2G 7 25.388 6.163 -8.791
37 H1 A2G 7 H1 A2G 7 26.719 9.041 -7.315
38 H3 A2G 7 H3 A2G 7 25.704 5.241 -6.185
39 HO4 A2G 7 HO4 A2G 7 23.083 7.973 -6.539
40 1H6 A2G 7 1H6 A2G 7 23.877 6.559 -10.469
41 2H6 A2G 7 2H6 A2G 7 22.661 6.293 -9.238
42 HN2 A2G 7 HN2 A2G 7 28.014 6.351 -6.232
43 1H8 A2G 7 1H8 A2G 7 29.686 6.172 -4.942
44 2H8 A2G 7 2H8 A2G 7 29.857 7.297 -3.582
45 3H8 A2G 7 3H8 A2G 7 29.111 5.709 -3.329
46 H2 A2G 10 H2 A2G 10 29.571 13.579 -6.190
47 H4 A2G 10 H4 A2G 10 28.636 14.164 -10.113
48 H5 A2G 10 H5 A2G 10 30.592 12.830 -10.032
49 H1 A2G 10 H1 A2G 10 31.560 12.281 -6.746
50 H3 A2G 10 H3 A2G 10 28.068 12.519 -8.616
51 HO4 A2G 10 HO4 A2G 10 29.643 15.879 -7.993
52 1H6 A2G 10 1H6 A2G 10 30.756 15.457 -10.900
53 2H6 A2G 10 2H6 A2G 10 32.122 15.363 -9.793
54 HN2 A2G 10 HN2 A2G 10 28.839 10.823 -6.958
55 1H8 A2G 10 1H8 A2G 10 26.914 10.507 -4.271
56 2H8 A2G 10 2H8 A2G 10 27.865 9.659 -5.504
57 3H8 A2G 10 3H8 A2G 10 28.547 9.930 -3.890
58 H2 A2G 13 H2 A2G 13 36.255 12.555 -3.356
59 H4 A2G 13 H4 A2G 13 37.890 9.880 -6.040
60 H5 A2G 13 H5 A2G 13 35.993 8.889 -4.978
61 H1 A2G 13 H1 A2G 13 34.749 10.894 -2.476
62 H3 A2G 13 H3 A2G 13 36.275 11.508 -6.174
63 HO4 A2G 13 HO4 A2G 13 38.806 10.995 -3.511
64 1H6 A2G 13 1H6 A2G 13 37.476 7.157 -4.799
65 2H6 A2G 13 2H6 A2G 13 38.678 8.072 -3.921
66 HN2 A2G 13 HN2 A2G 13 34.242 12.279 -5.483
67 1H8 A2G 13 1H8 A2G 13 32.873 13.863 -5.709
68 2H8 A2G 13 2H8 A2G 13 32.239 14.446 -4.158
69 3H8 A2G 13 3H8 A2G 13 33.374 15.446 -5.084
Start of MODEL 46
1 1H ACE 0 1H ACE 0 3.075 -2.685 -64.926
2 2H ACE 0 2H ACE 0 2.204 -1.191 -64.565
3 3H ACE 0 3H ACE 0 2.150 -1.874 -66.193
4 H SER 1 H SER 1 1.275 -4.048 -66.389
5 HA SER 1 HA SER 1 -1.261 -4.207 -65.015
6 1HB SER 1 1HB SER 1 -1.711 -6.078 -66.581
7 2HB SER 1 2HB SER 1 -1.180 -4.617 -67.414
8 H THR 2 H THR 2 -1.856 -6.842 -64.798
9 HA THR 2 HA THR 2 -0.167 -7.640 -62.551
10 HB THR 2 HB THR 2 -2.051 -9.274 -62.120
11 1HG2 THR 2 1HG2 THR 2 -3.109 -7.791 -60.839
12 2HG2 THR 2 2HG2 THR 2 -1.877 -6.662 -61.409
13 3HG2 THR 2 3HG2 THR 2 -3.457 -6.717 -62.196
14 H THR 3 H THR 3 -0.517 -10.248 -62.294
15 HA THR 3 HA THR 3 0.941 -11.393 -64.569
16 HB THR 3 HB THR 3 1.511 -13.172 -62.835
17 1HG2 THR 3 1HG2 THR 3 3.126 -11.839 -61.636
18 2HG2 THR 3 2HG2 THR 3 3.076 -11.345 -63.330
19 3HG2 THR 3 3HG2 THR 3 2.280 -10.362 -62.100
20 H ALA 4 H ALA 4 0.581 -13.959 -64.479
21 HA ALA 4 HA ALA 4 -2.162 -14.715 -64.028
22 1HB ALA 4 1HB ALA 4 -1.488 -13.718 -66.553
23 2HB ALA 4 2HB ALA 4 -1.543 -15.469 -66.748
24 3HB ALA 4 3HB ALA 4 -2.945 -14.606 -66.115
25 H VAL 5 H VAL 5 -1.943 -16.596 -63.032
26 HA VAL 5 HA VAL 5 0.312 -18.335 -63.650
27 HB VAL 5 HB VAL 5 -0.237 -17.837 -61.283
28 1HG1 VAL 5 1HG1 VAL 5 -2.178 -18.642 -60.207
29 2HG1 VAL 5 2HG1 VAL 5 -2.733 -17.809 -61.659
30 3HG1 VAL 5 3HG1 VAL 5 -2.671 -19.571 -61.621
31 1HG2 VAL 5 1HG2 VAL 5 0.119 -20.045 -60.469
32 2HG2 VAL 5 2HG2 VAL 5 -0.661 -20.762 -61.880
33 3HG2 VAL 5 3HG2 VAL 5 0.899 -19.956 -62.047
34 H2 A2G 7 H2 A2G 7 0.662 -8.719 -69.321
35 H4 A2G 7 H4 A2G 7 1.886 -5.161 -70.984
36 H5 A2G 7 H5 A2G 7 0.494 -4.686 -69.086
37 H1 A2G 7 H1 A2G 7 -0.999 -7.656 -67.978
38 H3 A2G 7 H3 A2G 7 2.678 -6.501 -69.308
39 HO4 A2G 7 HO4 A2G 7 -0.063 -7.163 -71.810
40 1H6 A2G 7 1H6 A2G 7 -0.851 -3.283 -70.282
41 2H6 A2G 7 2H6 A2G 7 -0.218 -4.051 -71.726
42 HN2 A2G 7 HN2 A2G 7 2.040 -7.414 -67.066
43 1H8 A2G 7 1H8 A2G 7 2.805 -10.453 -65.816
44 2H8 A2G 7 2H8 A2G 7 4.169 -9.689 -66.653
45 3H8 A2G 7 3H8 A2G 7 3.040 -8.699 -65.710
46 H2 A2G 10 H2 A2G 10 -4.859 -11.220 -64.686
47 H4 A2G 10 H4 A2G 10 -6.819 -7.639 -64.897
48 H5 A2G 10 H5 A2G 10 -5.038 -7.437 -63.334
49 H1 A2G 10 H1 A2G 10 -3.392 -10.447 -62.915
50 H3 A2G 10 H3 A2G 10 -4.991 -8.491 -66.007
51 HO4 A2G 10 HO4 A2G 10 -7.512 -10.285 -63.921
52 1H6 A2G 10 1H6 A2G 10 -7.388 -6.911 -62.460
53 2H6 A2G 10 2H6 A2G 10 -7.346 -8.449 -61.617
54 HN2 A2G 10 HN2 A2G 10 -2.706 -9.521 -65.778
55 1H8 A2G 10 1H8 A2G 10 -0.976 -11.766 -66.660
56 2H8 A2G 10 2H8 A2G 10 -1.989 -12.013 -68.095
57 3H8 A2G 10 3H8 A2G 10 -1.655 -10.371 -67.519
58 H2 A2G 13 H2 A2G 13 -1.003 -14.393 -59.503
59 H4 A2G 13 H4 A2G 13 0.827 -11.250 -57.625
60 H5 A2G 13 H5 A2G 13 1.894 -11.559 -59.702
61 H1 A2G 13 H1 A2G 13 0.465 -14.181 -61.451
62 H3 A2G 13 H3 A2G 13 -1.002 -11.418 -58.980
63 HO4 A2G 13 HO4 A2G 13 0.743 -14.101 -57.093
64 1H6 A2G 13 1H6 A2G 13 3.256 -12.158 -57.418
65 2H6 A2G 13 2H6 A2G 13 3.533 -13.640 -58.329
66 HN2 A2G 13 HN2 A2G 13 -1.960 -12.029 -60.987
67 1H8 A2G 13 1H8 A2G 13 -3.869 -12.209 -61.892
68 2H8 A2G 13 2H8 A2G 13 -3.840 -13.652 -62.921
69 3H8 A2G 13 3H8 A2G 13 -4.904 -13.594 -61.506
Start of MODEL 47
1 1H ACE 0 1H ACE 0 -20.483 -30.938 -25.680
2 2H ACE 0 2H ACE 0 -18.744 -30.639 -25.604
3 3H ACE 0 3H ACE 0 -19.733 -30.473 -24.151
4 H SER 1 H SER 1 -19.128 -32.828 -26.707
5 HA SER 1 HA SER 1 -18.293 -34.868 -24.820
6 1HB SER 1 1HB SER 1 -20.033 -36.482 -25.544
7 2HB SER 1 2HB SER 1 -20.746 -35.077 -24.738
8 H THR 2 H THR 2 -17.138 -36.523 -25.790
9 HA THR 2 HA THR 2 -16.495 -36.113 -28.620
10 HB THR 2 HB THR 2 -14.573 -37.686 -28.084
11 1HG2 THR 2 1HG2 THR 2 -13.231 -35.968 -27.591
12 2HG2 THR 2 2HG2 THR 2 -14.687 -35.000 -27.817
13 3HG2 THR 2 3HG2 THR 2 -14.191 -35.480 -26.194
14 H THR 3 H THR 3 -15.507 -38.521 -29.343
15 HA THR 3 HA THR 3 -17.886 -40.234 -29.410
16 HB THR 3 HB THR 3 -16.661 -41.195 -31.453
17 1HG2 THR 3 1HG2 THR 3 -17.309 -39.395 -32.934
18 2HG2 THR 3 2HG2 THR 3 -18.534 -39.618 -31.685
19 3HG2 THR 3 3HG2 THR 3 -17.389 -38.279 -31.569
20 H ALA 4 H ALA 4 -17.471 -42.590 -29.459
21 HA ALA 4 HA ALA 4 -15.520 -43.264 -27.451
22 1HB ALA 4 1HB ALA 4 -17.391 -45.177 -28.836
23 2HB ALA 4 2HB ALA 4 -16.664 -45.323 -27.235
24 3HB ALA 4 3HB ALA 4 -17.921 -44.122 -27.527
25 H VAL 5 H VAL 5 -15.456 -46.063 -28.695
26 HA VAL 5 HA VAL 5 -13.035 -45.595 -30.244
27 HB VAL 5 HB VAL 5 -14.217 -48.212 -29.277
28 1HG1 VAL 5 1HG1 VAL 5 -11.572 -47.520 -30.534
29 2HG1 VAL 5 2HG1 VAL 5 -11.853 -49.015 -29.641
30 3HG1 VAL 5 3HG1 VAL 5 -12.782 -48.670 -31.100
31 1HG2 VAL 5 1HG2 VAL 5 -13.627 -46.806 -27.392
32 2HG2 VAL 5 2HG2 VAL 5 -12.442 -48.104 -27.547
33 3HG2 VAL 5 3HG2 VAL 5 -12.044 -46.474 -28.094
34 H2 A2G 7 H2 A2G 7 -23.313 -36.416 -28.621
35 H4 A2G 7 H4 A2G 7 -23.944 -32.472 -27.539
36 H5 A2G 7 H5 A2G 7 -22.201 -33.427 -26.148
37 H1 A2G 7 H1 A2G 7 -22.025 -36.856 -26.639
38 H3 A2G 7 H3 A2G 7 -22.472 -33.531 -28.957
39 HO4 A2G 7 HO4 A2G 7 -25.466 -34.915 -27.102
40 1H6 A2G 7 1H6 A2G 7 -23.180 -32.909 -24.140
41 2H6 A2G 7 2H6 A2G 7 -24.559 -32.460 -25.130
42 HN2 A2G 7 HN2 A2G 7 -20.772 -35.018 -29.201
43 1H8 A2G 7 1H8 A2G 7 -19.107 -36.479 -30.006
44 2H8 A2G 7 2H8 A2G 7 -19.633 -37.927 -30.883
45 3H8 A2G 7 3H8 A2G 7 -20.028 -36.318 -31.512
46 H2 A2G 10 H2 A2G 10 -13.992 -40.685 -25.079
47 H4 A2G 10 H4 A2G 10 -13.644 -37.642 -22.387
48 H5 A2G 10 H5 A2G 10 -13.788 -36.684 -24.578
49 H1 A2G 10 H1 A2G 10 -13.918 -39.176 -26.986
50 H3 A2G 10 H3 A2G 10 -15.462 -38.677 -23.345
51 HO4 A2G 10 HO4 A2G 10 -11.793 -39.622 -23.418
52 1H6 A2G 10 1H6 A2G 10 -10.886 -36.907 -24.867
53 2H6 A2G 10 2H6 A2G 10 -11.858 -35.512 -24.455
54 HN2 A2G 10 HN2 A2G 10 -16.606 -39.370 -25.459
55 1H8 A2G 10 1H8 A2G 10 -17.967 -42.638 -25.943
56 2H8 A2G 10 2H8 A2G 10 -18.366 -41.154 -25.060
57 3H8 A2G 10 3H8 A2G 10 -17.967 -41.077 -26.785
58 H2 A2G 13 H2 A2G 13 -12.312 -41.029 -32.118
59 H4 A2G 13 H4 A2G 13 -13.337 -37.400 -33.690
60 H5 A2G 13 H5 A2G 13 -15.322 -38.568 -33.196
61 H1 A2G 13 H1 A2G 13 -14.673 -41.632 -31.795
62 H3 A2G 13 H3 A2G 13 -12.871 -38.102 -31.565
63 HO4 A2G 13 HO4 A2G 13 -12.102 -39.781 -34.802
64 1H6 A2G 13 1H6 A2G 13 -14.615 -38.163 -35.812
65 2H6 A2G 13 2H6 A2G 13 -15.033 -39.870 -35.841
66 HN2 A2G 13 HN2 A2G 13 -13.490 -39.763 -29.731
67 1H8 A2G 13 1H8 A2G 13 -11.874 -39.739 -27.934
68 2H8 A2G 13 2H8 A2G 13 -12.528 -41.381 -27.790
69 3H8 A2G 13 3H8 A2G 13 -10.775 -41.128 -27.865
Start of MODEL 48
1 1H ACE 0 1H ACE 0 -24.902 -0.833 13.370
2 2H ACE 0 2H ACE 0 -24.675 0.665 12.461
3 3H ACE 0 3H ACE 0 -23.290 -0.128 13.218
4 H SER 1 H SER 1 -23.354 -2.592 12.612
5 HA SER 1 HA SER 1 -23.990 -3.129 9.843
6 1HB SER 1 1HB SER 1 -21.472 -3.769 9.478
7 2HB SER 1 2HB SER 1 -21.968 -2.082 9.299
8 H THR 2 H THR 2 -23.146 -5.356 9.205
9 HA THR 2 HA THR 2 -23.609 -7.160 11.458
10 HB THR 2 HB THR 2 -23.767 -8.889 9.593
11 1HG2 THR 2 1HG2 THR 2 -25.972 -8.595 9.482
12 2HG2 THR 2 2HG2 THR 2 -25.703 -7.231 10.567
13 3HG2 THR 2 3HG2 THR 2 -25.820 -6.964 8.827
14 H THR 3 H THR 3 -22.491 -9.442 10.720
15 HA THR 3 HA THR 3 -19.617 -8.927 10.922
16 HB THR 3 HB THR 3 -19.675 -11.372 11.742
17 1HG2 THR 3 1HG2 THR 3 -21.350 -9.489 13.374
18 2HG2 THR 3 2HG2 THR 3 -20.325 -10.807 13.950
19 3HG2 THR 3 3HG2 THR 3 -19.594 -9.358 13.256
20 H ALA 4 H ALA 4 -18.356 -10.960 10.049
21 HA ALA 4 HA ALA 4 -19.468 -12.108 7.653
22 1HB ALA 4 1HB ALA 4 -18.002 -9.700 7.461
23 2HB ALA 4 2HB ALA 4 -16.962 -10.981 6.841
24 3HB ALA 4 3HB ALA 4 -18.565 -10.734 6.150
25 H VAL 5 H VAL 5 -18.838 -14.151 7.661
26 HA VAL 5 HA VAL 5 -16.443 -14.931 9.128
27 HB VAL 5 HB VAL 5 -18.560 -16.164 9.508
28 1HG1 VAL 5 1HG1 VAL 5 -19.549 -17.571 7.883
29 2HG1 VAL 5 2HG1 VAL 5 -19.326 -16.001 7.111
30 3HG1 VAL 5 3HG1 VAL 5 -18.218 -17.326 6.753
31 1HG2 VAL 5 1HG2 VAL 5 -16.510 -17.972 8.233
32 2HG2 VAL 5 2HG2 VAL 5 -16.269 -17.190 9.796
33 3HG2 VAL 5 3HG2 VAL 5 -17.591 -18.336 9.576
34 H2 A2G 7 H2 A2G 7 -17.740 -2.949 11.507
35 H4 A2G 7 H4 A2G 7 -19.288 0.519 13.085
36 H5 A2G 7 H5 A2G 7 -20.842 -0.374 11.476
37 H1 A2G 7 H1 A2G 7 -19.431 -3.060 9.786
38 H3 A2G 7 H3 A2G 7 -19.516 -1.716 13.611
39 HO4 A2G 7 HO4 A2G 7 -17.107 -0.048 11.247
40 1H6 A2G 7 1H6 A2G 7 -19.531 2.056 11.086
41 2H6 A2G 7 2H6 A2G 7 -19.381 1.291 9.508
42 HN2 A2G 7 HN2 A2G 7 -20.133 -3.831 12.990
43 1H8 A2G 7 1H8 A2G 7 -18.986 -6.248 14.086
44 2H8 A2G 7 2H8 A2G 7 -20.406 -6.062 13.041
45 3H8 A2G 7 3H8 A2G 7 -19.090 -7.151 12.564
46 H2 A2G 10 H2 A2G 10 -22.178 -9.025 5.602
47 H4 A2G 10 H4 A2G 10 -24.895 -6.171 4.580
48 H5 A2G 10 H5 A2G 10 -25.226 -6.798 6.880
49 H1 A2G 10 H1 A2G 10 -23.202 -9.433 7.777
50 H3 A2G 10 H3 A2G 10 -22.868 -6.068 5.678
51 HO4 A2G 10 HO4 A2G 10 -24.543 -8.971 3.909
52 1H6 A2G 10 1H6 A2G 10 -27.179 -7.041 5.104
53 2H6 A2G 10 2H6 A2G 10 -27.088 -8.744 5.538
54 HN2 A2G 10 HN2 A2G 10 -21.411 -6.920 7.525
55 1H8 A2G 10 1H8 A2G 10 -18.055 -7.548 6.729
56 2H8 A2G 10 2H8 A2G 10 -19.212 -6.455 7.510
57 3H8 A2G 10 3H8 A2G 10 -18.838 -8.025 8.248
58 H2 A2G 13 H2 A2G 13 -22.665 -14.437 11.002
59 H4 A2G 13 H4 A2G 13 -24.848 -12.254 13.704
60 H5 A2G 13 H5 A2G 13 -22.674 -11.413 13.715
61 H1 A2G 13 H1 A2G 13 -20.681 -13.098 11.455
62 H3 A2G 13 H3 A2G 13 -24.569 -12.135 11.450
63 HO4 A2G 13 HO4 A2G 13 -23.990 -15.024 13.662
64 1H6 A2G 13 1H6 A2G 13 -22.245 -13.695 15.665
65 2H6 A2G 13 2H6 A2G 13 -21.784 -12.016 15.814
66 HN2 A2G 13 HN2 A2G 13 -22.826 -11.796 9.688
67 1H8 A2G 13 1H8 A2G 13 -21.970 -12.679 7.041
68 2H8 A2G 13 2H8 A2G 13 -23.543 -13.407 6.670
69 3H8 A2G 13 3H8 A2G 13 -23.464 -11.871 7.551
Start of MODEL 49
1 1H ACE 0 1H ACE 0 28.499 21.771 -8.497
2 2H ACE 0 2H ACE 0 28.132 20.718 -9.867
3 3H ACE 0 3H ACE 0 26.908 21.838 -9.262
4 H SER 1 H SER 1 27.875 24.133 -9.051
5 HA SER 1 HA SER 1 29.635 24.940 -11.199
6 1HB SER 1 1HB SER 1 27.964 26.356 -12.321
7 2HB SER 1 2HB SER 1 27.475 24.659 -12.369
8 H THR 2 H THR 2 30.447 26.996 -10.931
9 HA THR 2 HA THR 2 29.811 28.260 -8.366
10 HB THR 2 HB THR 2 31.915 29.624 -8.945
11 1HG2 THR 2 1HG2 THR 2 31.890 27.689 -7.358
12 2HG2 THR 2 2HG2 THR 2 32.381 26.666 -8.709
13 3HG2 THR 2 3HG2 THR 2 33.429 27.978 -8.170
14 H THR 3 H THR 3 30.645 30.842 -8.849
15 HA THR 3 HA THR 3 28.462 31.876 -10.493
16 HB THR 3 HB THR 3 29.108 34.024 -9.195
17 1HG2 THR 3 1HG2 THR 3 28.185 31.704 -7.526
18 2HG2 THR 3 2HG2 THR 3 27.866 33.418 -7.249
19 3HG2 THR 3 3HG2 THR 3 27.143 32.599 -8.634
20 H ALA 4 H ALA 4 28.836 33.390 -12.118
21 HA ALA 4 HA ALA 4 31.507 33.358 -13.195
22 1HB ALA 4 1HB ALA 4 29.351 33.050 -14.533
23 2HB ALA 4 2HB ALA 4 29.132 34.792 -14.370
24 3HB ALA 4 3HB ALA 4 30.550 34.154 -15.203
25 H VAL 5 H VAL 5 30.868 36.046 -14.493
26 HA VAL 5 HA VAL 5 32.146 37.652 -12.425
27 HB VAL 5 HB VAL 5 32.475 39.339 -14.224
28 1HG1 VAL 5 1HG1 VAL 5 34.176 38.116 -15.433
29 2HG1 VAL 5 2HG1 VAL 5 34.167 37.623 -13.740
30 3HG1 VAL 5 3HG1 VAL 5 33.444 36.582 -14.966
31 1HG2 VAL 5 1HG2 VAL 5 31.274 37.231 -16.031
32 2HG2 VAL 5 2HG2 VAL 5 30.512 38.761 -15.597
33 3HG2 VAL 5 3HG2 VAL 5 31.998 38.752 -16.546
34 H2 A2G 7 H2 A2G 7 23.611 27.395 -11.594
35 H4 A2G 7 H4 A2G 7 23.279 23.729 -9.794
36 H5 A2G 7 H5 A2G 7 25.445 23.867 -10.836
37 H1 A2G 7 H1 A2G 7 25.696 26.807 -12.686
38 H3 A2G 7 H3 A2G 7 24.149 25.734 -9.123
39 HO4 A2G 7 HO4 A2G 7 22.139 24.846 -12.222
40 1H6 A2G 7 1H6 A2G 7 25.250 22.222 -12.545
41 2H6 A2G 7 2H6 A2G 7 23.856 21.938 -11.524
42 HN2 A2G 7 HN2 A2G 7 25.629 27.518 -9.438
43 1H8 A2G 7 1H8 A2G 7 26.721 29.573 -9.377
44 2H8 A2G 7 2H8 A2G 7 25.931 30.992 -10.083
45 3H8 A2G 7 3H8 A2G 7 25.226 30.200 -8.668
46 H2 A2G 10 H2 A2G 10 33.530 30.418 -12.902
47 H4 A2G 10 H4 A2G 10 35.295 26.779 -12.325
48 H5 A2G 10 H5 A2G 10 34.179 27.388 -10.336
49 H1 A2G 10 H1 A2G 10 32.661 30.449 -10.613
50 H3 A2G 10 H3 A2G 10 33.217 27.402 -13.096
51 HO4 A2G 10 HO4 A2G 10 36.311 29.475 -12.683
52 1H6 A2G 10 1H6 A2G 10 36.860 27.182 -10.287
53 2H6 A2G 10 2H6 A2G 10 36.739 28.849 -9.745
54 HN2 A2G 10 HN2 A2G 10 31.152 28.678 -12.647
55 1H8 A2G 10 1H8 A2G 10 29.668 30.412 -15.245
56 2H8 A2G 10 2H8 A2G 10 29.560 29.079 -14.082
57 3H8 A2G 10 3H8 A2G 10 29.176 30.733 -13.572
58 H2 A2G 13 H2 A2G 13 32.793 34.990 -7.092
59 H4 A2G 13 H4 A2G 13 31.317 32.513 -4.180
60 H5 A2G 13 H5 A2G 13 29.653 32.712 -5.872
61 H1 A2G 13 H1 A2G 13 30.716 34.921 -8.349
62 H3 A2G 13 H3 A2G 13 32.541 32.159 -6.082
63 HO4 A2G 13 HO4 A2G 13 31.731 35.389 -4.294
64 1H6 A2G 13 1H6 A2G 13 27.940 33.789 -4.711
65 2H6 A2G 13 2H6 A2G 13 29.131 33.621 -3.429
66 HN2 A2G 13 HN2 A2G 13 32.765 32.320 -8.352
67 1H8 A2G 13 1H8 A2G 13 34.014 33.268 -11.078
68 2H8 A2G 13 2H8 A2G 13 35.509 33.172 -10.132
69 3H8 A2G 13 3H8 A2G 13 34.217 31.988 -9.869
Start of MODEL 50
1 1H ACE 0 1H ACE 0 -35.772 -13.128 -34.659
2 2H ACE 0 2H ACE 0 -34.251 -12.230 -34.622
3 3H ACE 0 3H ACE 0 -35.057 -12.665 -33.112
4 H SER 1 H SER 1 -34.046 -14.239 -36.090
5 HA SER 1 HA SER 1 -33.359 -16.693 -34.737
6 1HB SER 1 1HB SER 1 -32.840 -17.543 -36.954
7 2HB SER 1 2HB SER 1 -34.366 -16.660 -37.014
8 H THR 2 H THR 2 -31.191 -17.745 -35.447
9 HA THR 2 HA THR 2 -29.083 -15.886 -34.660
10 HB THR 2 HB THR 2 -27.772 -18.083 -34.390
11 1HG2 THR 2 1HG2 THR 2 -29.212 -16.759 -32.597
12 2HG2 THR 2 2HG2 THR 2 -30.126 -18.268 -32.625
13 3HG2 THR 2 3HG2 THR 2 -28.404 -18.285 -32.241
14 H THR 3 H THR 3 -26.870 -17.326 -35.666
15 HA THR 3 HA THR 3 -26.981 -16.563 -38.484
16 HB THR 3 HB THR 3 -24.427 -16.826 -38.193
17 1HG2 THR 3 1HG2 THR 3 -24.159 -14.650 -37.551
18 2HG2 THR 3 2HG2 THR 3 -25.871 -14.633 -37.978
19 3HG2 THR 3 3HG2 THR 3 -25.384 -14.757 -36.286
20 H ALA 4 H ALA 4 -26.008 -17.969 -40.077
21 HA ALA 4 HA ALA 4 -26.524 -20.734 -39.483
22 1HB ALA 4 1HB ALA 4 -25.547 -19.659 -42.118
23 2HB ALA 4 2HB ALA 4 -26.528 -21.092 -41.810
24 3HB ALA 4 3HB ALA 4 -27.226 -19.484 -41.612
25 H VAL 5 H VAL 5 -24.500 -21.456 -41.639
26 HA VAL 5 HA VAL 5 -21.970 -21.066 -40.260
27 HB VAL 5 HB VAL 5 -21.552 -23.615 -40.460
28 1HG1 VAL 5 1HG1 VAL 5 -21.767 -22.267 -38.355
29 2HG1 VAL 5 2HG1 VAL 5 -23.468 -22.734 -38.312
30 3HG1 VAL 5 3HG1 VAL 5 -22.211 -23.967 -38.207
31 1HG2 VAL 5 1HG2 VAL 5 -24.573 -23.616 -40.306
32 2HG2 VAL 5 2HG2 VAL 5 -23.621 -24.125 -41.701
33 3HG2 VAL 5 3HG2 VAL 5 -23.523 -25.027 -40.188
34 H2 A2G 7 H2 A2G 7 -32.088 -15.725 -41.100
35 H4 A2G 7 H4 A2G 7 -35.192 -13.189 -40.179
36 H5 A2G 7 H5 A2G 7 -34.739 -14.649 -38.283
37 H1 A2G 7 H1 A2G 7 -32.556 -17.188 -39.275
38 H3 A2G 7 H3 A2G 7 -32.922 -13.155 -39.780
39 HO4 A2G 7 HO4 A2G 7 -34.984 -15.546 -41.878
40 1H6 A2G 7 1H6 A2G 7 -36.920 -15.254 -38.082
41 2H6 A2G 7 2H6 A2G 7 -37.151 -14.685 -39.726
42 HN2 A2G 7 HN2 A2G 7 -31.054 -14.480 -38.636
43 1H8 A2G 7 1H8 A2G 7 -27.929 -15.004 -39.717
44 2H8 A2G 7 2H8 A2G 7 -28.419 -13.326 -40.012
45 3H8 A2G 7 3H8 A2G 7 -28.964 -14.164 -38.548
46 H2 A2G 10 H2 A2G 10 -28.338 -21.918 -36.254
47 H4 A2G 10 H4 A2G 10 -31.394 -22.433 -33.641
48 H5 A2G 10 H5 A2G 10 -30.309 -20.369 -33.093
49 H1 A2G 10 H1 A2G 10 -27.564 -19.870 -35.158
50 H3 A2G 10 H3 A2G 10 -31.215 -21.246 -35.617
51 HO4 A2G 10 HO4 A2G 10 -28.790 -23.669 -33.956
52 1H6 A2G 10 1H6 A2G 10 -28.470 -21.907 -31.397
53 2H6 A2G 10 2H6 A2G 10 -29.854 -20.927 -30.945
54 HN2 A2G 10 HN2 A2G 10 -30.072 -19.655 -37.023
55 1H8 A2G 10 1H8 A2G 10 -29.200 -20.322 -40.398
56 2H8 A2G 10 2H8 A2G 10 -30.482 -19.691 -39.348
57 3H8 A2G 10 3H8 A2G 10 -28.896 -18.899 -39.382
58 H2 A2G 13 H2 A2G 13 -22.298 -19.242 -35.308
59 H4 A2G 13 H4 A2G 13 -22.942 -16.135 -32.742
60 H5 A2G 13 H5 A2G 13 -23.794 -15.525 -34.885
61 H1 A2G 13 H1 A2G 13 -23.149 -17.993 -37.216
62 H3 A2G 13 H3 A2G 13 -24.210 -17.939 -33.365
63 HO4 A2G 13 HO4 A2G 13 -20.564 -17.221 -33.989
64 1H6 A2G 13 1H6 A2G 13 -21.062 -14.540 -35.473
65 2H6 A2G 13 2H6 A2G 13 -22.550 -13.650 -35.214
66 HN2 A2G 13 HN2 A2G 13 -25.245 -19.203 -35.317
67 1H8 A2G 13 1H8 A2G 13 -25.121 -22.771 -35.121
68 2H8 A2G 13 2H8 A2G 13 -26.063 -21.401 -34.510
69 3H8 A2G 13 3H8 A2G 13 -25.815 -21.598 -36.254
Start of MODEL 51
1 1H ACE 0 1H ACE 0 30.174 23.039 -20.070
2 2H ACE 0 2H ACE 0 29.554 24.100 -18.802
3 3H ACE 0 3H ACE 0 28.434 23.167 -19.799
4 H SER 1 H SER 1 31.429 22.416 -18.126
5 HA SER 1 HA SER 1 30.383 19.921 -17.111
6 1HB SER 1 1HB SER 1 32.599 19.470 -16.351
7 2HB SER 1 2HB SER 1 32.783 20.293 -17.898
8 H THR 2 H THR 2 30.166 19.356 -14.930
9 HA THR 2 HA THR 2 29.583 21.644 -13.195
10 HB THR 2 HB THR 2 28.484 19.816 -11.755
11 1HG2 THR 2 1HG2 THR 2 26.470 19.844 -12.933
12 2HG2 THR 2 2HG2 THR 2 27.267 21.368 -13.320
13 3HG2 THR 2 3HG2 THR 2 27.284 20.044 -14.485
14 H THR 3 H THR 3 29.788 20.277 -10.703
15 HA THR 3 HA THR 3 32.696 20.248 -10.391
16 HB THR 3 HB THR 3 31.948 20.500 -7.909
17 1HG2 THR 3 1HG2 THR 3 31.205 22.746 -9.764
18 2HG2 THR 3 2HG2 THR 3 31.698 22.866 -8.075
19 3HG2 THR 3 3HG2 THR 3 32.864 22.362 -9.301
20 H ALA 4 H ALA 4 33.481 18.836 -8.569
21 HA ALA 4 HA ALA 4 31.944 16.461 -8.037
22 1HB ALA 4 1HB ALA 4 33.913 16.492 -10.143
23 2HB ALA 4 2HB ALA 4 34.388 15.367 -8.873
24 3HB ALA 4 3HB ALA 4 32.820 15.200 -9.657
25 H VAL 5 H VAL 5 32.254 16.077 -5.939
26 HA VAL 5 HA VAL 5 34.944 16.141 -4.819
27 HB VAL 5 HB VAL 5 32.692 17.706 -3.529
28 1HG1 VAL 5 1HG1 VAL 5 34.133 16.827 -1.852
29 2HG1 VAL 5 2HG1 VAL 5 35.574 17.280 -2.764
30 3HG1 VAL 5 3HG1 VAL 5 34.547 18.528 -2.055
31 1HG2 VAL 5 1HG2 VAL 5 33.430 18.933 -5.457
32 2HG2 VAL 5 2HG2 VAL 5 34.133 19.696 -4.030
33 3HG2 VAL 5 3HG2 VAL 5 35.122 18.654 -5.052
34 H2 A2G 7 H2 A2G 7 36.345 22.185 -15.486
35 H4 A2G 7 H4 A2G 7 34.500 24.747 -18.125
36 H5 A2G 7 H5 A2G 7 33.302 22.700 -18.061
37 H1 A2G 7 H1 A2G 7 34.969 20.329 -16.164
38 H3 A2G 7 H3 A2G 7 34.251 24.312 -15.895
39 HO4 A2G 7 HO4 A2G 7 37.062 23.379 -18.123
40 1H6 A2G 7 1H6 A2G 7 35.341 22.346 -20.301
41 2H6 A2G 7 2H6 A2G 7 33.686 21.777 -20.274
42 HN2 A2G 7 HN2 A2G 7 33.675 22.445 -14.271
43 1H8 A2G 7 1H8 A2G 7 35.024 23.324 -11.308
44 2H8 A2G 7 2H8 A2G 7 33.596 22.718 -12.167
45 3H8 A2G 7 3H8 A2G 7 34.739 21.579 -11.431
46 H2 A2G 10 H2 A2G 10 29.229 15.595 -11.570
47 H4 A2G 10 H4 A2G 10 26.994 15.435 -14.961
48 H5 A2G 10 H5 A2G 10 26.851 17.654 -14.152
49 H1 A2G 10 H1 A2G 10 28.728 17.958 -11.223
50 H3 A2G 10 H3 A2G 10 29.207 15.887 -14.580
51 HO4 A2G 10 HO4 A2G 10 26.586 14.425 -12.262
52 1H6 A2G 10 1H6 A2G 10 24.601 17.790 -13.624
53 2H6 A2G 10 2H6 A2G 10 24.634 16.090 -14.058
54 HN2 A2G 10 HN2 A2G 10 30.842 17.326 -13.339
55 1H8 A2G 10 1H8 A2G 10 33.033 16.745 -13.395
56 2H8 A2G 10 2H8 A2G 10 33.218 17.385 -11.749
57 3H8 A2G 10 3H8 A2G 10 33.722 15.724 -12.119
58 H2 A2G 13 H2 A2G 13 28.098 19.615 -6.147
59 H4 A2G 13 H4 A2G 13 26.893 23.114 -7.898
60 H5 A2G 13 H5 A2G 13 29.224 22.868 -8.253
61 H1 A2G 13 H1 A2G 13 30.430 20.027 -6.701
62 H3 A2G 13 H3 A2G 13 27.082 20.968 -8.659
63 HO4 A2G 13 HO4 A2G 13 27.144 22.241 -5.145
64 1H6 A2G 13 1H6 A2G 13 28.324 24.925 -6.754
65 2H6 A2G 13 2H6 A2G 13 29.425 24.218 -5.577
66 HN2 A2G 13 HN2 A2G 13 28.641 18.993 -8.981
67 1H8 A2G 13 1H8 A2G 13 28.822 16.585 -9.155
68 2H8 A2G 13 2H8 A2G 13 27.606 15.656 -8.258
69 3H8 A2G 13 3H8 A2G 13 27.096 16.841 -9.475
Start of MODEL 52
1 1H ACE 0 1H ACE 0 3.009 -5.281 10.434
2 2H ACE 0 2H ACE 0 3.832 -4.328 9.194
3 3H ACE 0 3H ACE 0 4.717 -5.568 10.088
4 H SER 1 H SER 1 5.088 -5.896 7.662
5 HA SER 1 HA SER 1 3.642 -8.288 6.919
6 1HB SER 1 1HB SER 1 3.069 -7.428 4.648
7 2HB SER 1 2HB SER 1 2.206 -6.575 5.931
8 H THR 2 H THR 2 4.506 -8.569 4.301
9 HA THR 2 HA THR 2 7.388 -8.833 4.703
10 HB THR 2 HB THR 2 7.108 -10.215 2.491
11 1HG2 THR 2 1HG2 THR 2 7.262 -10.993 5.035
12 2HG2 THR 2 2HG2 THR 2 5.644 -11.579 4.647
13 3HG2 THR 2 3HG2 THR 2 7.027 -12.110 3.690
14 H THR 3 H THR 3 8.199 -8.955 2.013
15 HA THR 3 HA THR 3 8.180 -6.123 1.317
16 HB THR 3 HB THR 3 10.139 -7.015 -0.185
17 1HG2 THR 3 1HG2 THR 3 10.372 -5.724 1.983
18 2HG2 THR 3 2HG2 THR 3 10.550 -7.296 2.767
19 3HG2 THR 3 3HG2 THR 3 11.715 -6.784 1.545
20 H ALA 4 H ALA 4 7.672 -5.418 -0.769
21 HA ALA 4 HA ALA 4 5.941 -7.195 -2.232
22 1HB ALA 4 1HB ALA 4 5.163 -5.273 -3.370
23 2HB ALA 4 2HB ALA 4 5.450 -4.744 -1.712
24 3HB ALA 4 3HB ALA 4 6.616 -4.355 -2.977
25 H VAL 5 H VAL 5 6.667 -5.574 -4.731
26 HA VAL 5 HA VAL 5 8.695 -7.445 -5.668
27 HB VAL 5 HB VAL 5 8.170 -6.577 -7.934
28 1HG1 VAL 5 1HG1 VAL 5 5.979 -7.591 -8.121
29 2HG1 VAL 5 2HG1 VAL 5 6.983 -8.514 -7.003
30 3HG1 VAL 5 3HG1 VAL 5 5.731 -7.437 -6.383
31 1HG2 VAL 5 1HG2 VAL 5 7.500 -4.301 -7.319
32 2HG2 VAL 5 2HG2 VAL 5 6.235 -5.101 -8.250
33 3HG2 VAL 5 3HG2 VAL 5 6.072 -4.934 -6.502
34 H2 A2G 7 H2 A2G 7 3.356 -3.187 2.771
35 H4 A2G 7 H4 A2G 7 2.195 -1.955 6.506
36 H5 A2G 7 H5 A2G 7 2.391 -4.374 6.498
37 H1 A2G 7 H1 A2G 7 2.841 -5.486 3.209
38 H3 A2G 7 H3 A2G 7 4.239 -2.513 5.580
39 HO4 A2G 7 HO4 A2G 7 0.848 -2.151 3.929
40 1H6 A2G 7 1H6 A2G 7 -0.095 -3.016 6.757
41 2H6 A2G 7 2H6 A2G 7 -0.447 -4.448 5.796
42 HN2 A2G 7 HN2 A2G 7 5.528 -4.361 4.376
43 1H8 A2G 7 1H8 A2G 7 7.472 -4.266 3.567
44 2H8 A2G 7 2H8 A2G 7 7.508 -4.333 1.796
45 3H8 A2G 7 3H8 A2G 7 7.856 -2.810 2.632
46 H2 A2G 10 H2 A2G 10 3.861 -9.946 -0.303
47 H4 A2G 10 H4 A2G 10 1.882 -12.386 2.323
48 H5 A2G 10 H5 A2G 10 4.112 -12.164 3.056
49 H1 A2G 10 H1 A2G 10 5.961 -10.206 0.901
50 H3 A2G 10 H3 A2G 10 2.211 -10.119 2.250
51 HO4 A2G 10 HO4 A2G 10 2.614 -12.580 -0.479
52 1H6 A2G 10 1H6 A2G 10 3.997 -14.571 1.161
53 2H6 A2G 10 2H6 A2G 10 5.195 -14.338 2.404
54 HN2 A2G 10 HN2 A2G 10 3.739 -8.273 2.133
55 1H8 A2G 10 1H8 A2G 10 4.564 -5.513 0.162
56 2H8 A2G 10 2H8 A2G 10 2.933 -5.779 0.803
57 3H8 A2G 10 3H8 A2G 10 4.350 -6.164 1.796
58 H2 A2G 13 H2 A2G 13 11.611 -11.025 -1.021
59 H4 A2G 13 H4 A2G 13 11.707 -11.675 3.024
60 H5 A2G 13 H5 A2G 13 11.219 -9.366 2.634
61 H1 A2G 13 H1 A2G 13 11.364 -8.613 -0.741
62 H3 A2G 13 H3 A2G 13 10.011 -11.598 1.487
63 HO4 A2G 13 HO4 A2G 13 13.740 -11.573 0.945
64 1H6 A2G 13 1H6 A2G 13 13.701 -10.197 3.700
65 2H6 A2G 13 2H6 A2G 13 14.088 -8.815 2.680
66 HN2 A2G 13 HN2 A2G 13 8.818 -10.667 -0.154
67 1H8 A2G 13 1H8 A2G 13 7.326 -10.612 -1.689
68 2H8 A2G 13 2H8 A2G 13 7.788 -10.313 -3.372
69 3H8 A2G 13 3H8 A2G 13 7.673 -11.974 -2.768
Start of MODEL 53
1 1H ACE 0 1H ACE 0 14.475 18.500 -7.824
2 2H ACE 0 2H ACE 0 15.290 19.973 -7.289
3 3H ACE 0 3H ACE 0 14.534 19.911 -8.884
4 H SER 1 H SER 1 13.666 19.152 -5.560
5 HA SER 1 HA SER 1 10.949 20.059 -5.909
6 1HB SER 1 1HB SER 1 10.600 19.311 -3.629
7 2HB SER 1 2HB SER 1 11.545 18.092 -4.486
8 H THR 2 H THR 2 10.059 21.417 -3.952
9 HA THR 2 HA THR 2 11.582 23.912 -3.965
10 HB THR 2 HB THR 2 9.375 24.804 -2.969
11 1HG2 THR 2 1HG2 THR 2 8.825 23.642 -5.645
12 2HG2 THR 2 2HG2 THR 2 8.508 25.263 -5.025
13 3HG2 THR 2 3HG2 THR 2 10.148 24.797 -5.476
14 H THR 3 H THR 3 10.592 25.164 -1.713
15 HA THR 3 HA THR 3 11.967 23.693 0.412
16 HB THR 3 HB THR 3 11.978 26.033 1.463
17 1HG2 THR 3 1HG2 THR 3 13.306 26.121 -1.205
18 2HG2 THR 3 2HG2 THR 3 13.887 26.709 0.354
19 3HG2 THR 3 3HG2 THR 3 13.858 24.977 0.020
20 H ALA 4 H ALA 4 11.108 24.378 2.666
21 HA ALA 4 HA ALA 4 8.268 24.787 2.818
22 1HB ALA 4 1HB ALA 4 8.891 22.241 2.470
23 2HB ALA 4 2HB ALA 4 9.225 22.317 4.197
24 3HB ALA 4 3HB ALA 4 7.618 22.716 3.589
25 H VAL 5 H VAL 5 8.360 23.488 5.559
26 HA VAL 5 HA VAL 5 9.461 25.795 6.954
27 HB VAL 5 HB VAL 5 7.835 23.489 8.060
28 1HG1 VAL 5 1HG1 VAL 5 9.055 24.499 9.833
29 2HG1 VAL 5 2HG1 VAL 5 8.681 26.122 9.252
30 3HG1 VAL 5 3HG1 VAL 5 7.404 25.110 9.929
31 1HG2 VAL 5 1HG2 VAL 5 6.976 26.259 7.206
32 2HG2 VAL 5 2HG2 VAL 5 6.544 24.740 6.422
33 3HG2 VAL 5 3HG2 VAL 5 5.954 25.094 8.045
34 H2 A2G 7 H2 A2G 7 13.389 18.125 -0.114
35 H4 A2G 7 H4 A2G 7 15.716 16.426 -3.084
36 H5 A2G 7 H5 A2G 7 13.807 17.578 -4.038
37 H1 A2G 7 H1 A2G 7 11.525 18.391 -1.570
38 H3 A2G 7 H3 A2G 7 15.601 18.512 -2.103
39 HO4 A2G 7 HO4 A2G 7 14.004 15.338 -0.997
40 1H6 A2G 7 1H6 A2G 7 14.225 15.381 -5.034
41 2H6 A2G 7 2H6 A2G 7 13.301 14.572 -3.781
42 HN2 A2G 7 HN2 A2G 7 13.928 20.444 -1.850
43 1H8 A2G 7 1H8 A2G 7 13.558 22.470 0.746
44 2H8 A2G 7 2H8 A2G 7 15.290 22.182 0.506
45 3H8 A2G 7 3H8 A2G 7 14.210 22.302 -0.894
46 H2 A2G 10 H2 A2G 10 6.266 22.733 -0.855
47 H4 A2G 10 H4 A2G 10 5.214 21.311 -4.540
48 H5 A2G 10 H5 A2G 10 6.884 22.932 -4.851
49 H1 A2G 10 H1 A2G 10 7.868 24.296 -1.828
50 H3 A2G 10 H3 A2G 10 6.763 20.638 -2.989
51 HO4 A2G 10 HO4 A2G 10 3.855 22.939 -2.556
52 1H6 A2G 10 1H6 A2G 10 4.581 24.854 -4.801
53 2H6 A2G 10 2H6 A2G 10 5.720 24.493 -6.088
54 HN2 A2G 10 HN2 A2G 10 8.713 21.291 -1.680
55 1H8 A2G 10 1H8 A2G 10 9.035 20.074 1.505
56 2H8 A2G 10 2H8 A2G 10 9.722 20.199 -0.125
57 3H8 A2G 10 3H8 A2G 10 10.048 21.466 1.075
58 H2 A2G 13 H2 A2G 13 9.372 29.407 0.756
59 H4 A2G 13 H4 A2G 13 11.654 29.975 -2.637
60 H5 A2G 13 H5 A2G 13 12.536 28.130 -1.415
61 H1 A2G 13 H1 A2G 13 10.874 27.717 1.583
62 H3 A2G 13 H3 A2G 13 9.755 28.786 -2.170
63 HO4 A2G 13 HO4 A2G 13 11.360 31.497 -0.176
64 1H6 A2G 13 1H6 A2G 13 13.989 30.465 -1.690
65 2H6 A2G 13 2H6 A2G 13 14.182 30.139 0.031
66 HN2 A2G 13 HN2 A2G 13 8.806 27.088 -0.973
67 1H8 A2G 13 1H8 A2G 13 5.737 26.898 0.264
68 2H8 A2G 13 2H8 A2G 13 7.013 26.044 -0.621
69 3H8 A2G 13 3H8 A2G 13 6.761 25.720 1.104
Start of MODEL 54
1 1H ACE 0 1H ACE 0 46.123 -3.072 -30.917
2 2H ACE 0 2H ACE 0 45.269 -3.256 -29.382
3 3H ACE 0 3H ACE 0 46.283 -4.567 -29.991
4 H SER 1 H SER 1 46.764 -1.097 -29.790
5 HA SER 1 HA SER 1 49.425 -1.413 -28.721
6 1HB SER 1 1HB SER 1 49.628 0.980 -28.963
7 2HB SER 1 2HB SER 1 48.816 0.355 -30.399
8 H THR 2 H THR 2 50.055 0.172 -26.900
9 HA THR 2 HA THR 2 48.319 -0.423 -24.624
10 HB THR 2 HB THR 2 50.474 0.373 -23.373
11 1HG2 THR 2 1HG2 THR 2 51.658 -1.847 -24.137
12 2HG2 THR 2 2HG2 THR 2 50.220 -1.867 -23.116
13 3HG2 THR 2 3HG2 THR 2 50.076 -2.161 -24.849
14 H THR 3 H THR 3 49.396 1.616 -22.896
15 HA THR 3 HA THR 3 47.843 3.897 -23.831
16 HB THR 3 HB THR 3 48.203 4.509 -21.321
17 1HG2 THR 3 1HG2 THR 3 46.061 3.702 -22.327
18 2HG2 THR 3 2HG2 THR 3 46.568 2.061 -21.919
19 3HG2 THR 3 3HG2 THR 3 46.303 3.247 -20.639
20 H ALA 4 H ALA 4 48.693 5.877 -24.062
21 HA ALA 4 HA ALA 4 51.568 6.097 -24.032
22 1HB ALA 4 1HB ALA 4 50.280 6.908 -25.984
23 2HB ALA 4 2HB ALA 4 49.563 8.146 -24.955
24 3HB ALA 4 3HB ALA 4 51.300 8.143 -25.253
25 H VAL 5 H VAL 5 52.233 6.324 -22.026
26 HA VAL 5 HA VAL 5 51.045 8.330 -20.266
27 HB VAL 5 HB VAL 5 53.269 6.354 -19.694
28 1HG1 VAL 5 1HG1 VAL 5 52.650 6.889 -17.299
29 2HG1 VAL 5 2HG1 VAL 5 53.512 8.154 -18.178
30 3HG1 VAL 5 3HG1 VAL 5 51.768 8.279 -17.933
31 1HG2 VAL 5 1HG2 VAL 5 50.341 6.287 -18.952
32 2HG2 VAL 5 2HG2 VAL 5 51.120 5.274 -20.169
33 3HG2 VAL 5 3HG2 VAL 5 51.557 5.108 -18.466
34 H2 A2G 7 H2 A2G 7 46.630 4.492 -29.492
35 H4 A2G 7 H4 A2G 7 44.841 1.938 -32.212
36 H5 A2G 7 H5 A2G 7 46.674 0.828 -31.049
37 H1 A2G 7 H1 A2G 7 48.597 3.156 -29.356
38 H3 A2G 7 H3 A2G 7 44.634 2.292 -29.934
39 HO4 A2G 7 HO4 A2G 7 46.537 4.296 -32.469
40 1H6 A2G 7 1H6 A2G 7 46.824 0.149 -33.276
41 2H6 A2G 7 2H6 A2G 7 47.168 1.748 -33.892
42 HN2 A2G 7 HN2 A2G 7 46.003 2.168 -27.794
43 1H8 A2G 7 1H8 A2G 7 45.956 4.071 -25.130
44 2H8 A2G 7 2H8 A2G 7 44.268 3.944 -25.664
45 3H8 A2G 7 3H8 A2G 7 45.357 2.554 -25.830
46 H2 A2G 10 H2 A2G 10 53.721 2.751 -24.828
47 H4 A2G 10 H4 A2G 10 54.971 -0.620 -26.795
48 H5 A2G 10 H5 A2G 10 53.065 -1.160 -25.468
49 H1 A2G 10 H1 A2G 10 52.041 1.522 -23.564
50 H3 A2G 10 H3 A2G 10 53.376 0.988 -27.271
51 HO4 A2G 10 HO4 A2G 10 56.065 1.044 -24.676
52 1H6 A2G 10 1H6 A2G 10 55.496 -1.666 -23.687
53 2H6 A2G 10 2H6 A2G 10 54.007 -2.575 -23.707
54 HN2 A2G 10 HN2 A2G 10 51.409 2.193 -26.583
55 1H8 A2G 10 1H8 A2G 10 50.581 3.930 -27.591
56 2H8 A2G 10 2H8 A2G 10 50.035 4.808 -26.151
57 3H8 A2G 10 3H8 A2G 10 51.180 5.568 -27.272
58 H2 A2G 13 H2 A2G 13 50.904 2.613 -18.374
59 H4 A2G 13 H4 A2G 13 48.107 -0.418 -18.526
60 H5 A2G 13 H5 A2G 13 47.373 1.360 -19.923
61 H1 A2G 13 H1 A2G 13 49.509 4.067 -19.727
62 H3 A2G 13 H3 A2G 13 50.005 0.050 -19.705
63 HO4 A2G 13 HO4 A2G 13 48.883 1.476 -16.459
64 1H6 A2G 13 1H6 A2G 13 46.018 0.742 -17.583
65 2H6 A2G 13 2H6 A2G 13 46.085 2.500 -17.509
66 HN2 A2G 13 HN2 A2G 13 51.128 1.511 -21.108
67 1H8 A2G 13 1H8 A2G 13 53.094 3.274 -22.240
68 2H8 A2G 13 2H8 A2G 13 54.427 2.775 -21.184
69 3H8 A2G 13 3H8 A2G 13 53.306 1.563 -21.828
Start of MODEL 55
1 1H ACE 0 1H ACE 0 20.964 -10.723 26.016
2 2H ACE 0 2H ACE 0 22.064 -11.210 24.723
3 3H ACE 0 3H ACE 0 22.505 -11.489 26.410
4 H SER 1 H SER 1 19.966 -12.169 24.078
5 HA SER 1 HA SER 1 20.042 -15.007 24.629
6 1HB SER 1 1HB SER 1 17.437 -14.892 25.026
7 2HB SER 1 2HB SER 1 18.546 -14.632 26.376
8 H THR 2 H THR 2 18.400 -16.194 23.271
9 HA THR 2 HA THR 2 18.269 -14.924 20.640
10 HB THR 2 HB THR 2 17.605 -17.330 19.968
11 1HG2 THR 2 1HG2 THR 2 19.702 -17.605 19.343
12 2HG2 THR 2 2HG2 THR 2 20.108 -16.162 20.274
13 3HG2 THR 2 3HG2 THR 2 20.247 -17.759 21.015
14 H THR 3 H THR 3 16.233 -16.338 19.451
15 HA THR 3 HA THR 3 13.870 -15.171 20.717
16 HB THR 3 HB THR 3 12.930 -15.626 18.359
17 1HG2 THR 3 1HG2 THR 3 14.061 -13.423 19.241
18 2HG2 THR 3 2HG2 THR 3 15.321 -13.889 18.095
19 3HG2 THR 3 3HG2 THR 3 13.668 -13.627 17.532
20 H ALA 4 H ALA 4 11.987 -16.417 20.997
21 HA ALA 4 HA ALA 4 12.489 -19.224 21.375
22 1HB ALA 4 1HB ALA 4 9.855 -17.877 21.897
23 2HB ALA 4 2HB ALA 4 10.587 -19.247 22.733
24 3HB ALA 4 3HB ALA 4 11.226 -17.621 22.974
25 H VAL 5 H VAL 5 9.509 -19.696 20.961
26 HA VAL 5 HA VAL 5 9.728 -20.416 18.146
27 HB VAL 5 HB VAL 5 7.542 -21.137 20.117
28 1HG1 VAL 5 1HG1 VAL 5 7.122 -22.985 18.476
29 2HG1 VAL 5 2HG1 VAL 5 6.733 -21.367 17.889
30 3HG1 VAL 5 3HG1 VAL 5 8.218 -22.164 17.366
31 1HG2 VAL 5 1HG2 VAL 5 9.666 -22.031 20.882
32 2HG2 VAL 5 2HG2 VAL 5 8.671 -23.338 20.241
33 3HG2 VAL 5 3HG2 VAL 5 9.999 -22.688 19.281
34 H2 A2G 7 H2 A2G 7 14.521 -11.913 25.548
35 H4 A2G 7 H4 A2G 7 17.056 -9.561 27.746
36 H5 A2G 7 H5 A2G 7 18.096 -11.707 27.427
37 H1 A2G 7 H1 A2G 7 15.860 -13.895 25.882
38 H3 A2G 7 H3 A2G 7 16.853 -9.992 25.498
39 HO4 A2G 7 HO4 A2G 7 14.579 -10.945 28.389
40 1H6 A2G 7 1H6 A2G 7 18.317 -12.302 29.656
41 2H6 A2G 7 2H6 A2G 7 17.453 -10.791 29.890
42 HN2 A2G 7 HN2 A2G 7 16.807 -11.469 23.738
43 1H8 A2G 7 1H8 A2G 7 14.853 -12.809 21.111
44 2H8 A2G 7 2H8 A2G 7 15.359 -11.126 21.346
45 3H8 A2G 7 3H8 A2G 7 16.499 -12.447 21.662
46 H2 A2G 10 H2 A2G 10 16.056 -20.616 22.184
47 H4 A2G 10 H4 A2G 10 19.711 -20.988 23.960
48 H5 A2G 10 H5 A2G 10 19.829 -19.238 22.318
49 H1 A2G 10 H1 A2G 10 16.863 -19.035 20.528
50 H3 A2G 10 H3 A2G 10 17.928 -19.565 24.333
51 HO4 A2G 10 HO4 A2G 10 18.192 -22.593 22.059
52 1H6 A2G 10 1H6 A2G 10 21.092 -21.795 21.881
53 2H6 A2G 10 2H6 A2G 10 20.674 -21.117 20.311
54 HN2 A2G 10 HN2 A2G 10 16.309 -17.929 23.384
55 1H8 A2G 10 1H8 A2G 10 14.409 -17.451 24.716
56 2H8 A2G 10 2H8 A2G 10 13.731 -17.041 23.130
57 3H8 A2G 10 3H8 A2G 10 12.860 -18.148 24.207
58 H2 A2G 13 H2 A2G 13 14.235 -18.198 15.164
59 H4 A2G 13 H4 A2G 13 17.586 -15.800 14.906
60 H5 A2G 13 H5 A2G 13 16.084 -14.870 16.515
61 H1 A2G 13 H1 A2G 13 13.115 -16.632 16.608
62 H3 A2G 13 H3 A2G 13 17.014 -17.618 16.186
63 HO4 A2G 13 HO4 A2G 13 15.355 -16.302 13.107
64 1H6 A2G 13 1H6 A2G 13 16.630 -13.548 14.152
65 2H6 A2G 13 2H6 A2G 13 14.874 -13.410 14.233
66 HN2 A2G 13 HN2 A2G 13 15.622 -18.526 17.745
67 1H8 A2G 13 1H8 A2G 13 13.451 -20.431 19.025
68 2H8 A2G 13 2H8 A2G 13 14.288 -21.624 18.019
69 3H8 A2G 13 3H8 A2G 13 15.207 -20.330 18.806
Start of MODEL 56
1 1H ACE 0 1H ACE 0 26.969 22.410 -0.205
2 2H ACE 0 2H ACE 0 27.953 21.314 -1.179
3 3H ACE 0 3H ACE 0 28.472 22.984 -0.933
4 H SER 1 H SER 1 29.390 23.606 0.925
5 HA SER 1 HA SER 1 29.689 21.842 3.183
6 1HB SER 1 1HB SER 1 31.983 21.410 3.042
7 2HB SER 1 2HB SER 1 31.444 21.199 1.379
8 H THR 2 H THR 2 30.507 22.842 5.008
9 HA THR 2 HA THR 2 30.483 25.767 4.877
10 HB THR 2 HB THR 2 30.333 25.466 7.454
11 1HG2 THR 2 1HG2 THR 2 28.426 26.056 5.924
12 2HG2 THR 2 2HG2 THR 2 28.021 24.339 5.923
13 3HG2 THR 2 3HG2 THR 2 28.002 25.249 7.433
14 H THR 3 H THR 3 31.910 26.118 7.406
15 HA THR 3 HA THR 3 34.633 25.816 6.402
16 HB THR 3 HB THR 3 35.026 27.462 8.396
17 1HG2 THR 3 1HG2 THR 3 34.483 29.387 7.076
18 2HG2 THR 3 2HG2 THR 3 35.112 28.128 6.012
19 3HG2 THR 3 3HG2 THR 3 33.376 28.441 6.079
20 H ALA 4 H ALA 4 36.234 24.829 7.607
21 HA ALA 4 HA ALA 4 35.298 22.976 9.592
22 1HB ALA 4 1HB ALA 4 36.845 22.189 7.870
23 2HB ALA 4 2HB ALA 4 38.068 23.324 8.443
24 3HB ALA 4 3HB ALA 4 37.531 22.003 9.482
25 H VAL 5 H VAL 5 34.931 23.896 11.432
26 HA VAL 5 HA VAL 5 36.786 25.806 12.610
27 HB VAL 5 HB VAL 5 34.309 26.178 12.698
28 1HG1 VAL 5 1HG1 VAL 5 33.702 23.803 13.110
29 2HG1 VAL 5 2HG1 VAL 5 34.305 23.979 14.759
30 3HG1 VAL 5 3HG1 VAL 5 32.930 24.939 14.215
31 1HG2 VAL 5 1HG2 VAL 5 35.507 25.931 15.455
32 2HG2 VAL 5 2HG2 VAL 5 35.977 27.183 14.305
33 3HG2 VAL 5 3HG2 VAL 5 34.316 27.101 14.891
34 H2 A2G 7 H2 A2G 7 35.193 23.581 0.090
35 H4 A2G 7 H4 A2G 7 31.785 24.543 -2.005
36 H5 A2G 7 H5 A2G 7 31.197 23.118 -0.149
37 H1 A2G 7 H1 A2G 7 34.100 21.828 1.302
38 H3 A2G 7 H3 A2G 7 32.825 25.417 -0.152
39 HO4 A2G 7 HO4 A2G 7 33.970 22.712 -2.568
40 1H6 A2G 7 1H6 A2G 7 30.598 20.996 -1.332
41 2H6 A2G 7 2H6 A2G 7 30.208 22.417 -2.290
42 HN2 A2G 7 HN2 A2G 7 33.501 25.049 2.025
43 1H8 A2G 7 1H8 A2G 7 34.530 26.158 3.516
44 2H8 A2G 7 2H8 A2G 7 35.653 25.048 4.323
45 3H8 A2G 7 3H8 A2G 7 36.279 26.413 3.380
46 H2 A2G 10 H2 A2G 10 31.416 22.046 9.850
47 H4 A2G 10 H4 A2G 10 27.769 20.620 8.635
48 H5 A2G 10 H5 A2G 10 28.005 22.829 7.805
49 H1 A2G 10 H1 A2G 10 30.986 24.224 8.851
50 H3 A2G 10 H3 A2G 10 29.863 20.552 7.711
51 HO4 A2G 10 HO4 A2G 10 28.859 21.409 11.212
52 1H6 A2G 10 1H6 A2G 10 26.133 22.292 9.745
53 2H6 A2G 10 2H6 A2G 10 26.926 23.699 10.447
54 HN2 A2G 10 HN2 A2G 10 31.756 21.902 6.910
55 1H8 A2G 10 1H8 A2G 10 33.704 21.023 6.281
56 2H8 A2G 10 2H8 A2G 10 34.623 22.436 6.831
57 3H8 A2G 10 3H8 A2G 10 35.037 20.820 7.432
58 H2 A2G 13 H2 A2G 13 32.401 28.284 11.764
59 H4 A2G 13 H4 A2G 13 30.370 30.561 9.074
60 H5 A2G 13 H5 A2G 13 32.369 29.847 8.016
61 H1 A2G 13 H1 A2G 13 34.218 27.842 10.191
62 H3 A2G 13 H3 A2G 13 30.326 28.330 9.556
63 HO4 A2G 13 HO4 A2G 13 31.895 31.223 11.456
64 1H6 A2G 13 1H6 A2G 13 33.901 31.806 8.138
65 2H6 A2G 13 2H6 A2G 13 32.222 32.313 8.067
66 HN2 A2G 13 HN2 A2G 13 31.708 26.175 9.823
67 1H8 A2G 13 1H8 A2G 13 31.906 24.067 10.967
68 2H8 A2G 13 2H8 A2G 13 31.281 24.009 12.624
69 3H8 A2G 13 3H8 A2G 13 30.206 24.449 11.288
Start of MODEL 57
1 1H ACE 0 1H ACE 0 8.152 28.450 -20.992
2 2H ACE 0 2H ACE 0 7.748 27.007 -20.057
3 3H ACE 0 3H ACE 0 7.792 26.934 -21.821
4 H SER 1 H SER 1 9.882 28.169 -19.274
5 HA SER 1 HA SER 1 12.007 26.317 -19.868
6 1HB SER 1 1HB SER 1 13.615 27.837 -20.656
7 2HB SER 1 2HB SER 1 12.154 28.293 -21.532
8 H THR 2 H THR 2 13.601 26.252 -18.317
9 HA THR 2 HA THR 2 12.906 27.573 -15.797
10 HB THR 2 HB THR 2 14.554 25.818 -14.872
11 1HG2 THR 2 1HG2 THR 2 12.922 24.280 -14.558
12 2HG2 THR 2 2HG2 THR 2 11.952 25.675 -15.026
13 3HG2 THR 2 3HG2 THR 2 12.316 24.417 -16.208
14 H THR 3 H THR 3 15.549 27.190 -14.623
15 HA THR 3 HA THR 3 16.894 29.489 -15.825
16 HB THR 3 HB THR 3 18.179 29.333 -13.588
17 1HG2 THR 3 1HG2 THR 3 16.087 30.822 -14.199
18 2HG2 THR 3 2HG2 THR 3 15.305 29.790 -13.002
19 3HG2 THR 3 3HG2 THR 3 16.719 30.745 -12.554
20 H ALA 4 H ALA 4 19.095 29.427 -16.341
21 HA ALA 4 HA ALA 4 20.078 26.798 -16.986
22 1HB ALA 4 1HB ALA 4 20.177 28.853 -18.515
23 2HB ALA 4 2HB ALA 4 21.515 29.394 -17.502
24 3HB ALA 4 3HB ALA 4 21.638 27.874 -18.391
25 H VAL 5 H VAL 5 22.896 27.974 -16.752
26 HA VAL 5 HA VAL 5 23.341 27.038 -14.029
27 HB VAL 5 HB VAL 5 25.768 27.113 -14.638
28 1HG1 VAL 5 1HG1 VAL 5 24.036 25.507 -16.512
29 2HG1 VAL 5 2HG1 VAL 5 25.710 25.159 -16.078
30 3HG1 VAL 5 3HG1 VAL 5 24.442 25.065 -14.855
31 1HG2 VAL 5 1HG2 VAL 5 24.758 27.709 -17.426
32 2HG2 VAL 5 2HG2 VAL 5 25.575 28.872 -16.382
33 3HG2 VAL 5 3HG2 VAL 5 26.431 27.437 -16.945
34 H2 A2G 7 H2 A2G 7 13.341 32.681 -20.594
35 H4 A2G 7 H4 A2G 7 9.335 31.632 -20.507
36 H5 A2G 7 H5 A2G 7 10.582 29.678 -20.846
37 H1 A2G 7 H1 A2G 7 13.945 30.470 -21.288
38 H3 A2G 7 H3 A2G 7 10.933 32.026 -18.957
39 HO4 A2G 7 HO4 A2G 7 10.871 32.989 -22.574
40 1H6 A2G 7 1H6 A2G 7 9.836 29.000 -22.978
41 2H6 A2G 7 2H6 A2G 7 8.819 30.399 -22.687
42 HN2 A2G 7 HN2 A2G 7 12.827 31.083 -18.157
43 1H8 A2G 7 1H8 A2G 7 15.916 31.338 -17.088
44 2H8 A2G 7 2H8 A2G 7 15.072 32.775 -16.485
45 3H8 A2G 7 3H8 A2G 7 14.219 31.225 -16.583
46 H2 A2G 10 H2 A2G 10 17.698 23.609 -16.812
47 H4 A2G 10 H4 A2G 10 14.610 21.334 -18.255
48 H5 A2G 10 H5 A2G 10 13.712 22.937 -16.760
49 H1 A2G 10 H1 A2G 10 16.207 24.847 -15.346
50 H3 A2G 10 H3 A2G 10 15.645 23.244 -18.993
51 HO4 A2G 10 HO4 A2G 10 16.815 20.787 -16.452
52 1H6 A2G 10 1H6 A2G 10 14.343 20.823 -14.710
53 2H6 A2G 10 2H6 A2G 10 12.837 21.629 -15.050
54 HN2 A2G 10 HN2 A2G 10 16.142 25.607 -18.330
55 1H8 A2G 10 1H8 A2G 10 17.544 26.690 -19.935
56 2H8 A2G 10 2H8 A2G 10 17.936 27.628 -18.483
57 3H8 A2G 10 3H8 A2G 10 19.237 26.936 -19.469
58 H2 A2G 13 H2 A2G 13 18.589 25.970 -10.837
59 H4 A2G 13 H4 A2G 13 14.835 27.142 -9.626
60 H5 A2G 13 H5 A2G 13 15.603 28.644 -11.288
61 H1 A2G 13 H1 A2G 13 18.815 27.900 -12.284
62 H3 A2G 13 H3 A2G 13 15.603 25.692 -11.212
63 HO4 A2G 13 HO4 A2G 13 17.428 27.151 -8.314
64 1H6 A2G 13 1H6 A2G 13 15.141 29.601 -8.823
65 2H6 A2G 13 2H6 A2G 13 16.834 30.068 -8.947
66 HN2 A2G 13 HN2 A2G 13 17.042 25.590 -13.324
67 1H8 A2G 13 1H8 A2G 13 18.554 24.089 -14.760
68 2H8 A2G 13 2H8 A2G 13 18.959 22.613 -13.865
69 3H8 A2G 13 3H8 A2G 13 17.272 23.140 -13.985
Start of MODEL 58
1 1H ACE 0 1H ACE 0 -12.358 3.171 -10.814
2 2H ACE 0 2H ACE 0 -11.577 2.219 -12.080
3 3H ACE 0 3H ACE 0 -10.618 3.311 -11.078
4 H SER 1 H SER 1 -13.091 0.879 -10.463
5 HA SER 1 HA SER 1 -11.674 -0.147 -8.167
6 1HB SER 1 1HB SER 1 -13.596 -1.544 -7.805
7 2HB SER 1 2HB SER 1 -14.186 0.041 -8.300
8 H THR 2 H THR 2 -10.884 -2.247 -7.902
9 HA THR 2 HA THR 2 -9.959 -3.466 -10.396
10 HB THR 2 HB THR 2 -8.446 -4.772 -8.823
11 1HG2 THR 2 1HG2 THR 2 -7.973 -1.863 -8.398
12 2HG2 THR 2 2HG2 THR 2 -6.827 -3.152 -8.769
13 3HG2 THR 2 3HG2 THR 2 -7.897 -2.535 -10.028
14 H THR 3 H THR 3 -9.420 -5.997 -9.702
15 HA THR 3 HA THR 3 -12.081 -7.196 -9.387
16 HB THR 3 HB THR 3 -10.889 -9.179 -10.490
17 1HG2 THR 3 1HG2 THR 3 -10.871 -8.202 -12.735
18 2HG2 THR 3 2HG2 THR 3 -12.316 -7.745 -11.832
19 3HG2 THR 3 3HG2 THR 3 -10.993 -6.592 -12.024
20 H ALA 4 H ALA 4 -11.756 -9.641 -8.616
21 HA ALA 4 HA ALA 4 -9.776 -9.951 -6.551
22 1HB ALA 4 1HB ALA 4 -11.957 -8.666 -5.716
23 2HB ALA 4 2HB ALA 4 -12.567 -10.312 -5.575
24 3HB ALA 4 3HB ALA 4 -11.116 -9.829 -4.695
25 H VAL 5 H VAL 5 -11.612 -11.991 -5.267
26 HA VAL 5 HA VAL 5 -11.933 -13.981 -7.370
27 HB VAL 5 HB VAL 5 -10.188 -14.515 -4.947
28 1HG1 VAL 5 1HG1 VAL 5 -11.088 -16.265 -7.224
29 2HG1 VAL 5 2HG1 VAL 5 -9.713 -16.660 -6.191
30 3HG1 VAL 5 3HG1 VAL 5 -11.327 -16.514 -5.495
31 1HG2 VAL 5 1HG2 VAL 5 -9.475 -14.152 -7.860
32 2HG2 VAL 5 2HG2 VAL 5 -8.945 -13.167 -6.496
33 3HG2 VAL 5 3HG2 VAL 5 -8.382 -14.831 -6.656
34 H2 A2G 7 H2 A2G 7 -17.146 -3.024 -10.355
35 H4 A2G 7 H4 A2G 7 -16.710 0.529 -12.372
36 H5 A2G 7 H5 A2G 7 -15.167 0.508 -10.522
37 H1 A2G 7 H1 A2G 7 -15.764 -2.303 -8.531
38 H3 A2G 7 H3 A2G 7 -15.649 -1.497 -12.500
39 HO4 A2G 7 HO4 A2G 7 -18.752 -0.475 -10.560
40 1H6 A2G 7 1H6 A2G 7 -15.999 2.329 -9.287
41 2H6 A2G 7 2H6 A2G 7 -17.039 2.384 -10.705
42 HN2 A2G 7 HN2 A2G 7 -14.317 -3.172 -11.211
43 1H8 A2G 7 1H8 A2G 7 -13.629 -5.084 -11.877
44 2H8 A2G 7 2H8 A2G 7 -14.054 -6.190 -10.557
45 3H8 A2G 7 3H8 A2G 7 -14.769 -6.412 -12.164
46 H2 A2G 10 H2 A2G 10 -8.866 -5.861 -4.690
47 H4 A2G 10 H4 A2G 10 -7.920 -1.988 -3.880
48 H5 A2G 10 H5 A2G 10 -7.635 -2.321 -6.219
49 H1 A2G 10 H1 A2G 10 -8.344 -5.616 -7.061
50 H3 A2G 10 H3 A2G 10 -9.888 -3.007 -4.488
51 HO4 A2G 10 HO4 A2G 10 -6.551 -4.504 -3.402
52 1H6 A2G 10 1H6 A2G 10 -5.222 -2.448 -6.527
53 2H6 A2G 10 2H6 A2G 10 -5.558 -1.524 -5.077
54 HN2 A2G 10 HN2 A2G 10 -11.058 -4.495 -6.133
55 1H8 A2G 10 1H8 A2G 10 -13.018 -5.381 -5.905
56 2H8 A2G 10 2H8 A2G 10 -12.707 -7.011 -6.540
57 3H8 A2G 10 3H8 A2G 10 -13.283 -6.800 -4.874
58 H2 A2G 13 H2 A2G 13 -6.643 -10.106 -10.255
59 H4 A2G 13 H4 A2G 13 -6.473 -7.545 -13.435
60 H5 A2G 13 H5 A2G 13 -8.745 -7.922 -12.978
61 H1 A2G 13 H1 A2G 13 -9.077 -10.031 -10.232
62 H3 A2G 13 H3 A2G 13 -6.365 -7.242 -11.184
63 HO4 A2G 13 HO4 A2G 13 -5.896 -10.383 -13.173
64 1H6 A2G 13 1H6 A2G 13 -9.448 -9.081 -14.860
65 2H6 A2G 13 2H6 A2G 13 -7.743 -8.938 -15.260
66 HN2 A2G 13 HN2 A2G 13 -7.658 -7.628 -9.013
67 1H8 A2G 13 1H8 A2G 13 -5.825 -8.547 -6.089
68 2H8 A2G 13 2H8 A2G 13 -6.193 -7.103 -7.049
69 3H8 A2G 13 3H8 A2G 13 -7.506 -8.149 -6.482
Start of MODEL 59
1 1H ACE 0 1H ACE 0 16.400 23.184 -33.186
2 2H ACE 0 2H ACE 0 17.502 22.315 -32.113
3 3H ACE 0 3H ACE 0 16.884 21.530 -33.569
4 H SER 1 H SER 1 18.380 24.607 -32.731
5 HA SER 1 HA SER 1 19.906 24.680 -35.180
6 1HB SER 1 1HB SER 1 20.602 26.866 -34.504
7 2HB SER 1 2HB SER 1 18.903 26.716 -34.051
8 H THR 2 H THR 2 22.277 25.535 -34.837
9 HA THR 2 HA THR 2 23.667 23.439 -33.346
10 HB THR 2 HB THR 2 25.645 24.345 -34.739
11 1HG2 THR 2 1HG2 THR 2 25.264 22.815 -36.333
12 2HG2 THR 2 2HG2 THR 2 23.908 22.371 -35.295
13 3HG2 THR 2 3HG2 THR 2 23.647 23.426 -36.685
14 H THR 3 H THR 3 26.169 24.700 -33.140
15 HA THR 3 HA THR 3 25.703 26.517 -30.906
16 HB THR 3 HB THR 3 28.241 25.928 -30.602
17 1HG2 THR 3 1HG2 THR 3 27.710 23.944 -29.364
18 2HG2 THR 3 2HG2 THR 3 26.387 25.092 -29.162
19 3HG2 THR 3 3HG2 THR 3 26.212 23.731 -30.273
20 H ALA 4 H ALA 4 26.650 28.520 -30.810
21 HA ALA 4 HA ALA 4 27.525 29.606 -33.332
22 1HB ALA 4 1HB ALA 4 27.154 31.058 -30.720
23 2HB ALA 4 2HB ALA 4 27.337 31.770 -32.322
24 3HB ALA 4 3HB ALA 4 25.895 30.833 -31.933
25 H VAL 5 H VAL 5 29.500 28.938 -33.725
26 HA VAL 5 HA VAL 5 31.655 30.116 -32.175
27 HB VAL 5 HB VAL 5 31.482 27.952 -31.108
28 1HG1 VAL 5 1HG1 VAL 5 31.904 26.640 -33.781
29 2HG1 VAL 5 2HG1 VAL 5 31.550 25.869 -32.235
30 3HG1 VAL 5 3HG1 VAL 5 30.319 26.845 -33.038
31 1HG2 VAL 5 1HG2 VAL 5 33.721 27.201 -31.343
32 2HG2 VAL 5 2HG2 VAL 5 33.814 27.770 -33.010
33 3HG2 VAL 5 3HG2 VAL 5 33.749 28.931 -31.684
34 H2 A2G 7 H2 A2G 7 20.906 29.079 -30.410
35 H4 A2G 7 H4 A2G 7 16.922 27.996 -30.292
36 H5 A2G 7 H5 A2G 7 18.044 26.981 -32.207
37 H1 A2G 7 H1 A2G 7 21.129 28.464 -32.699
38 H3 A2G 7 H3 A2G 7 18.887 27.039 -29.569
39 HO4 A2G 7 HO4 A2G 7 18.260 30.476 -31.017
40 1H6 A2G 7 1H6 A2G 7 16.930 28.286 -34.102
41 2H6 A2G 7 2H6 A2G 7 15.878 27.789 -32.805
42 HN2 A2G 7 HN2 A2G 7 21.071 26.143 -30.509
43 1H8 A2G 7 1H8 A2G 7 23.987 26.077 -29.521
44 2H8 A2G 7 2H8 A2G 7 23.274 26.143 -27.899
45 3H8 A2G 7 3H8 A2G 7 22.473 25.219 -29.182
46 H2 A2G 10 H2 A2G 10 26.193 28.185 -36.601
47 H4 A2G 10 H4 A2G 10 23.602 26.867 -39.484
48 H5 A2G 10 H5 A2G 10 23.993 25.092 -37.927
49 H1 A2G 10 H1 A2G 10 26.361 25.980 -35.587
50 H3 A2G 10 H3 A2G 10 23.302 27.821 -37.411
51 HO4 A2G 10 HO4 A2G 10 26.441 27.489 -39.467
52 1H6 A2G 10 1H6 A2G 10 24.886 24.926 -40.565
53 2H6 A2G 10 2H6 A2G 10 26.267 24.329 -39.656
54 HN2 A2G 10 HN2 A2G 10 23.778 27.625 -34.989
55 1H8 A2G 10 1H8 A2G 10 24.567 29.089 -32.616
56 2H8 A2G 10 2H8 A2G 10 24.252 30.675 -33.343
57 3H8 A2G 10 3H8 A2G 10 23.157 29.320 -33.667
58 H2 A2G 13 H2 A2G 13 30.960 23.270 -32.924
59 H4 A2G 13 H4 A2G 13 27.935 20.496 -32.564
60 H5 A2G 13 H5 A2G 13 27.372 22.433 -31.310
61 H1 A2G 13 H1 A2G 13 29.914 24.749 -31.311
62 H3 A2G 13 H3 A2G 13 28.371 22.198 -34.030
63 HO4 A2G 13 HO4 A2G 13 30.669 20.587 -31.592
64 1H6 A2G 13 1H6 A2G 13 28.875 20.924 -29.165
65 2H6 A2G 13 2H6 A2G 13 27.258 21.596 -29.132
66 HN2 A2G 13 HN2 A2G 13 28.689 24.701 -34.149
67 1H8 A2G 13 1H8 A2G 13 29.270 25.256 -36.499
68 2H8 A2G 13 2H8 A2G 13 29.861 26.591 -35.493
69 3H8 A2G 13 3H8 A2G 13 30.940 25.828 -36.675