Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
536567 | 2lhx RC | 17870 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 H1 ACE 1 -29.068 -8.890 -35.163
2 H2 ACE 1 H2 ACE 1 -29.618 -7.362 -35.851
3 H3 ACE 1 H3 ACE 1 -29.632 -7.599 -34.103
4 HA PRO 2 HA PRO 2 -24.840 -7.762 -35.128
5 HB2 PRO 2 HB2 PRO 2 -24.612 -6.766 -37.822
6 HB3 PRO 2 HB3 PRO 2 -24.106 -8.340 -37.190
7 HG2 PRO 2 HG2 PRO 2 -26.497 -7.623 -38.706
8 HG3 PRO 2 HG3 PRO 2 -25.755 -9.209 -38.448
9 HD2 PRO 2 HD2 PRO 2 -28.127 -8.463 -37.299
10 HD3 PRO 2 HD3 PRO 2 -27.018 -9.641 -36.562
11 H THR 3 H THR 3 -24.398 -6.012 -33.899
12 HA THR 3 HA THR 3 -24.432 -3.375 -35.160
13 HB THR 3 HB THR 3 -25.703 -3.722 -32.448
14 HG1 THR 3 HG1 THR 3 -26.896 -4.850 -34.064
15 HG21 THR 3 HG21 THR 3 -26.074 -1.481 -32.559
16 HG22 THR 3 HG22 THR 3 -26.433 -1.528 -34.285
17 HG23 THR 3 HG23 THR 3 -24.758 -1.508 -33.732
18 H THR 4 H THR 4 -22.900 -1.982 -34.335
19 HA THR 4 HA THR 4 -21.351 -2.867 -31.994
20 HB THR 4 HB THR 4 -19.240 -2.388 -33.213
21 HG21 THR 4 HG21 THR 4 -19.120 -4.492 -34.202
22 HG22 THR 4 HG22 THR 4 -20.740 -4.372 -34.889
23 HG23 THR 4 HG23 THR 4 -20.534 -4.688 -33.166
24 H THR 5 H THR 5 -19.703 -1.098 -31.406
25 HA THR 5 HA THR 5 -21.150 1.453 -31.408
26 HB THR 5 HB THR 5 -19.116 1.913 -29.728
27 HG21 THR 5 HG21 THR 5 -21.470 0.150 -28.997
28 HG22 THR 5 HG22 THR 5 -21.579 1.894 -29.235
29 HG23 THR 5 HG23 THR 5 -20.594 1.243 -27.925
30 HA PRO 6 HA PRO 6 -18.695 3.739 -34.198
31 HB2 PRO 6 HB2 PRO 6 -17.723 5.668 -32.292
32 HB3 PRO 6 HB3 PRO 6 -19.024 5.859 -33.477
33 HG2 PRO 6 HG2 PRO 6 -19.180 5.312 -30.613
34 HG3 PRO 6 HG3 PRO 6 -20.418 5.933 -31.715
35 HD2 PRO 6 HD2 PRO 6 -20.498 3.414 -30.642
36 HD3 PRO 6 HD3 PRO 6 -21.222 3.825 -32.214
37 H LEU 7 H LEU 7 -16.999 2.360 -34.692
38 HA LEU 7 HA LEU 7 -14.969 1.224 -34.348
39 HB2 LEU 7 HB2 LEU 7 -14.709 3.592 -35.489
40 HB3 LEU 7 HB3 LEU 7 -13.837 3.970 -34.003
41 HG LEU 7 HG LEU 7 -12.670 1.631 -34.517
42 HD11 LEU 7 HD11 LEU 7 -14.071 1.189 -36.509
43 HD12 LEU 7 HD12 LEU 7 -12.367 1.327 -36.942
44 HD13 LEU 7 HD13 LEU 7 -13.467 2.669 -37.255
45 HD21 LEU 7 HD21 LEU 7 -11.514 3.794 -34.310
46 HD22 LEU 7 HD22 LEU 7 -12.015 4.230 -35.944
47 HD23 LEU 7 HD23 LEU 7 -10.888 2.897 -35.693
48 H LYS 8 H LYS 8 -12.739 2.728 -32.971
49 HA LYS 8 HA LYS 8 -13.099 1.508 -30.376
50 HB2 LYS 8 HB2 LYS 8 -10.801 2.165 -29.970
51 HB3 LYS 8 HB3 LYS 8 -10.920 1.491 -31.596
52 HG2 LYS 8 HG2 LYS 8 -9.913 3.395 -32.289
53 HG3 LYS 8 HG3 LYS 8 -11.467 4.176 -31.998
54 HD2 LYS 8 HD2 LYS 8 -10.782 4.671 -29.675
55 HD3 LYS 8 HD3 LYS 8 -9.221 3.907 -29.978
56 HE2 LYS 8 HE2 LYS 8 -8.729 5.554 -31.730
57 HE3 LYS 8 HE3 LYS 8 -10.308 6.301 -31.489
58 HZ1 LYS 8 HZ1 LYS 8 -8.249 7.275 -30.304
59 HZ2 LYS 8 HZ2 LYS 8 -8.468 5.991 -29.213
60 HZ3 LYS 8 HZ3 LYS 8 -9.705 7.131 -29.446
61 HN1 NH2 9 HN1 NH2 9 -11.927 3.857 -28.525
62 HN2 NH2 9 HN2 NH2 9 -13.554 3.572 -28.136
63 H1 A2G 10 H1 A2G 10 -18.820 -0.594 -34.375
64 H2 A2G 10 H2 A2G 10 -18.455 0.295 -36.637
65 HN2 A2G 10 HN2 A2G 10 -21.317 0.170 -35.889
66 H3 A2G 10 H3 A2G 10 -20.539 -1.730 -37.499
67 HO3 A2G 10 HO3 A2G 10 -20.687 -0.239 -38.980
68 H4 A2G 10 H4 A2G 10 -18.727 -2.863 -38.656
69 HO4 A2G 10 HO4 A2G 10 -17.555 -0.691 -38.731
70 H5 A2G 10 H5 A2G 10 -19.100 -3.532 -36.324
71 H6 A2G 10 H6 A2G 10 -16.831 -4.398 -35.817
72 H8 A2G 10 H8 A2G 10 -21.832 2.509 -34.855
73 H8A A2G 10 H8A A2G 10 -22.424 2.396 -36.512
74 H8B A2G 10 H8B A2G 10 -21.391 3.744 -36.034
75 H14 A2G 10 H14 A2G 10 -17.226 -4.591 -37.525
76 H15 A2G 10 H15 A2G 10 -16.018 -2.210 -36.782
77 H1 A2G 11 H1 A2G 11 -17.262 0.992 -29.554
78 H2 A2G 11 H2 A2G 11 -15.848 -0.853 -28.757
79 HN2 A2G 11 HN2 A2G 11 -17.471 -1.726 -31.074
80 H3 A2G 11 H3 A2G 11 -18.386 -2.506 -28.842
81 HO3 A2G 11 HO3 A2G 11 -16.104 -3.368 -27.563
82 H4 A2G 11 H4 A2G 11 -18.234 -2.572 -26.418
83 HO4 A2G 11 HO4 A2G 11 -15.748 -1.766 -26.924
84 H5 A2G 11 H5 A2G 11 -19.480 -0.682 -27.368
85 H6 A2G 11 H6 A2G 11 -18.543 -0.847 -24.805
86 H8 A2G 11 H8 A2G 11 -16.435 -2.183 -32.932
87 H8A A2G 11 H8A A2G 11 -14.684 -2.390 -32.875
88 H8B A2G 11 H8B A2G 11 -15.373 -0.811 -33.251
89 H14 A2G 11 H14 A2G 11 -17.955 0.748 -25.272
90 H15 A2G 11 H15 A2G 11 -20.197 1.043 -26.090
Start of MODEL 2
1 H1 ACE 1 H1 ACE 1 -24.560 -8.200 -33.075
2 H2 ACE 1 H2 ACE 1 -24.132 -9.395 -34.301
3 H3 ACE 1 H3 ACE 1 -25.816 -9.188 -33.819
4 HA PRO 2 HA PRO 2 -26.848 -6.213 -36.859
5 HB2 PRO 2 HB2 PRO 2 -27.083 -3.893 -35.167
6 HB3 PRO 2 HB3 PRO 2 -28.379 -4.897 -35.835
7 HG2 PRO 2 HG2 PRO 2 -27.215 -4.900 -33.158
8 HG3 PRO 2 HG3 PRO 2 -28.760 -5.554 -33.719
9 HD2 PRO 2 HD2 PRO 2 -26.651 -7.133 -32.971
10 HD3 PRO 2 HD3 PRO 2 -27.868 -7.638 -34.165
11 H THR 3 H THR 3 -25.125 -4.163 -34.504
12 HA THR 3 HA THR 3 -22.881 -3.842 -36.350
13 HB THR 3 HB THR 3 -23.053 -1.357 -36.237
14 HG1 THR 3 HG1 THR 3 -24.626 -0.459 -35.162
15 HG21 THR 3 HG21 THR 3 -24.698 -1.173 -37.969
16 HG22 THR 3 HG22 THR 3 -25.561 -2.598 -37.388
17 HG23 THR 3 HG23 THR 3 -23.973 -2.772 -38.137
18 H THR 4 H THR 4 -21.458 -1.913 -35.225
19 HA THR 4 HA THR 4 -20.990 -2.919 -32.496
20 HB THR 4 HB THR 4 -18.815 -1.402 -33.015
21 HG21 THR 4 HG21 THR 4 -18.833 -3.790 -32.379
22 HG22 THR 4 HG22 THR 4 -17.714 -3.496 -33.710
23 HG23 THR 4 HG23 THR 4 -19.289 -4.223 -34.027
24 H THR 5 H THR 5 -19.735 -1.025 -31.205
25 HA THR 5 HA THR 5 -21.731 1.114 -30.977
26 HB THR 5 HB THR 5 -20.097 1.530 -28.874
27 HG21 THR 5 HG21 THR 5 -22.129 -0.714 -28.936
28 HG22 THR 5 HG22 THR 5 -22.570 0.994 -28.921
29 HG23 THR 5 HG23 THR 5 -21.695 0.296 -27.558
30 HA PRO 6 HA PRO 6 -19.496 4.421 -32.732
31 HB2 PRO 6 HB2 PRO 6 -19.344 6.023 -30.343
32 HB3 PRO 6 HB3 PRO 6 -20.447 6.207 -31.716
33 HG2 PRO 6 HG2 PRO 6 -20.918 5.001 -29.098
34 HG3 PRO 6 HG3 PRO 6 -22.078 5.587 -30.298
35 HD2 PRO 6 HD2 PRO 6 -21.708 2.929 -29.751
36 HD3 PRO 6 HD3 PRO 6 -22.250 3.529 -31.335
37 H LEU 7 H LEU 7 -17.586 2.957 -32.798
38 HA LEU 7 HA LEU 7 -15.292 4.215 -31.685
39 HB2 LEU 7 HB2 LEU 7 -16.407 2.705 -29.790
40 HB3 LEU 7 HB3 LEU 7 -15.517 1.436 -30.633
41 HG LEU 7 HG LEU 7 -13.541 3.189 -30.534
42 HD11 LEU 7 HD11 LEU 7 -14.889 3.917 -27.955
43 HD12 LEU 7 HD12 LEU 7 -15.309 4.805 -29.418
44 HD13 LEU 7 HD13 LEU 7 -13.641 4.787 -28.846
45 HD21 LEU 7 HD21 LEU 7 -13.198 2.281 -28.045
46 HD22 LEU 7 HD22 LEU 7 -13.088 1.202 -29.436
47 HD23 LEU 7 HD23 LEU 7 -14.572 1.268 -28.485
48 H LYS 8 H LYS 8 -13.292 3.158 -32.351
49 HA LYS 8 HA LYS 8 -13.584 1.923 -34.947
50 HB2 LYS 8 HB2 LYS 8 -11.491 3.279 -33.450
51 HB3 LYS 8 HB3 LYS 8 -10.888 1.830 -34.254
52 HG2 LYS 8 HG2 LYS 8 -11.749 2.588 -36.392
53 HG3 LYS 8 HG3 LYS 8 -12.537 3.970 -35.629
54 HD2 LYS 8 HD2 LYS 8 -10.347 4.858 -34.944
55 HD3 LYS 8 HD3 LYS 8 -9.546 3.467 -35.676
56 HE2 LYS 8 HE2 LYS 8 -9.400 5.180 -37.316
57 HE3 LYS 8 HE3 LYS 8 -10.722 4.147 -37.859
58 HZ1 LYS 8 HZ1 LYS 8 -12.267 5.707 -37.378
59 HZ2 LYS 8 HZ2 LYS 8 -10.961 6.759 -37.652
60 HZ3 LYS 8 HZ3 LYS 8 -11.403 6.342 -36.065
61 HN1 NH2 9 HN1 NH2 9 -12.932 -1.062 -34.939
62 HN2 NH2 9 HN2 NH2 9 -11.383 -0.392 -34.761
63 H1 A2G 10 H1 A2G 10 -17.826 -0.387 -34.547
64 H2 A2G 10 H2 A2G 10 -17.297 0.074 -36.903
65 HN2 A2G 10 HN2 A2G 10 -20.194 0.230 -36.317
66 H3 A2G 10 H3 A2G 10 -19.456 -1.958 -37.527
67 HO3 A2G 10 HO3 A2G 10 -18.085 -0.032 -38.931
68 H4 A2G 10 H4 A2G 10 -17.663 -3.369 -38.364
69 HO4 A2G 10 HO4 A2G 10 -16.064 -1.159 -37.625
70 H5 A2G 10 H5 A2G 10 -18.191 -3.601 -35.978
71 H6 A2G 10 H6 A2G 10 -15.986 -4.459 -35.194
72 H8 A2G 10 H8 A2G 10 -20.768 2.612 -35.839
73 H8A A2G 10 H8A A2G 10 -21.052 2.437 -37.570
74 H8B A2G 10 H8B A2G 10 -20.022 3.737 -36.972
75 H14 A2G 10 H14 A2G 10 -16.342 -4.964 -36.845
76 H15 A2G 10 H15 A2G 10 -14.192 -3.857 -36.153
77 H1 A2G 11 H1 A2G 11 -18.090 0.889 -28.708
78 H2 A2G 11 H2 A2G 11 -16.493 -0.841 -28.001
79 HN2 A2G 11 HN2 A2G 11 -17.736 -1.447 -30.619
80 H3 A2G 11 H3 A2G 11 -18.715 -2.801 -28.635
81 HO3 A2G 11 HO3 A2G 11 -17.235 -4.284 -28.278
82 H4 A2G 11 H4 A2G 11 -18.809 -3.221 -26.244
83 HO4 A2G 11 HO4 A2G 11 -16.507 -1.727 -26.325
84 H5 A2G 11 H5 A2G 11 -20.233 -1.402 -27.073
85 H6 A2G 11 H6 A2G 11 -19.539 -1.823 -24.457
86 H8 A2G 11 H8 A2G 11 -16.374 -1.713 -32.345
87 H8A A2G 11 H8A A2G 11 -14.629 -1.665 -32.091
88 H8B A2G 11 H8B A2G 11 -15.529 -0.164 -32.318
89 H14 A2G 11 H14 A2G 11 -19.193 -0.102 -24.629
90 H15 A2G 11 H15 A2G 11 -21.390 -0.616 -24.030
Start of MODEL 3
1 H1 ACE 1 H1 ACE 1 -20.702 -7.157 -38.102
2 H2 ACE 1 H2 ACE 1 -21.449 -8.564 -37.342
3 H3 ACE 1 H3 ACE 1 -20.621 -7.361 -36.352
4 HA PRO 2 HA PRO 2 -25.416 -6.801 -36.796
5 HB2 PRO 2 HB2 PRO 2 -25.379 -6.466 -33.934
6 HB3 PRO 2 HB3 PRO 2 -26.171 -7.738 -34.879
7 HG2 PRO 2 HG2 PRO 2 -23.641 -7.804 -33.420
8 HG3 PRO 2 HG3 PRO 2 -24.657 -9.139 -33.984
9 HD2 PRO 2 HD2 PRO 2 -22.233 -8.531 -35.103
10 HD3 PRO 2 HD3 PRO 2 -23.557 -9.296 -36.010
11 H THR 3 H THR 3 -23.698 -5.297 -34.060
12 HA THR 3 HA THR 3 -23.756 -2.691 -35.382
13 HB THR 3 HB THR 3 -25.672 -2.099 -34.352
14 HG1 THR 3 HG1 THR 3 -25.367 -1.628 -32.073
15 HG21 THR 3 HG21 THR 3 -26.376 -4.347 -33.925
16 HG22 THR 3 HG22 THR 3 -26.594 -3.463 -32.414
17 HG23 THR 3 HG23 THR 3 -25.207 -4.532 -32.618
18 H THR 4 H THR 4 -22.365 -1.153 -34.417
19 HA THR 4 HA THR 4 -20.675 -2.114 -32.209
20 HB THR 4 HB THR 4 -18.801 -0.911 -33.748
21 HG21 THR 4 HG21 THR 4 -19.737 -3.784 -33.696
22 HG22 THR 4 HG22 THR 4 -18.410 -3.058 -32.789
23 HG23 THR 4 HG23 THR 4 -18.263 -3.292 -34.530
24 H THR 5 H THR 5 -19.792 -0.497 -30.931
25 HA THR 5 HA THR 5 -21.039 2.138 -31.258
26 HB THR 5 HB THR 5 -19.792 2.329 -28.884
27 HG21 THR 5 HG21 THR 5 -21.951 1.197 -27.952
28 HG22 THR 5 HG22 THR 5 -22.411 1.051 -29.647
29 HG23 THR 5 HG23 THR 5 -22.123 2.644 -28.946
30 HA PRO 6 HA PRO 6 -17.596 4.297 -32.857
31 HB2 PRO 6 HB2 PRO 6 -17.587 6.306 -30.791
32 HB3 PRO 6 HB3 PRO 6 -18.222 6.432 -32.439
33 HG2 PRO 6 HG2 PRO 6 -19.640 5.965 -29.928
34 HG3 PRO 6 HG3 PRO 6 -20.257 6.533 -31.486
35 HD2 PRO 6 HD2 PRO 6 -20.805 4.046 -30.486
36 HD3 PRO 6 HD3 PRO 6 -20.734 4.396 -32.229
37 H LEU 7 H LEU 7 -16.053 2.644 -32.316
38 HA LEU 7 HA LEU 7 -13.970 3.532 -30.598
39 HB2 LEU 7 HB2 LEU 7 -15.601 2.643 -28.905
40 HB3 LEU 7 HB3 LEU 7 -15.420 1.053 -29.648
41 HG LEU 7 HG LEU 7 -12.965 1.177 -29.238
42 HD11 LEU 7 HD11 LEU 7 -12.562 3.046 -27.326
43 HD12 LEU 7 HD12 LEU 7 -13.778 3.877 -28.296
44 HD13 LEU 7 HD13 LEU 7 -12.267 3.352 -29.038
45 HD21 LEU 7 HD21 LEU 7 -14.522 1.678 -26.688
46 HD22 LEU 7 HD22 LEU 7 -13.095 0.663 -26.897
47 HD23 LEU 7 HD23 LEU 7 -14.638 0.171 -27.597
48 H LYS 8 H LYS 8 -13.392 3.129 -32.985
49 HA LYS 8 HA LYS 8 -11.851 0.687 -33.090
50 HB2 LYS 8 HB2 LYS 8 -12.900 -0.399 -34.854
51 HB3 LYS 8 HB3 LYS 8 -14.286 0.218 -33.954
52 HG2 LYS 8 HG2 LYS 8 -14.046 2.322 -35.467
53 HG3 LYS 8 HG3 LYS 8 -13.079 1.273 -36.504
54 HD2 LYS 8 HD2 LYS 8 -14.950 -0.340 -36.613
55 HD3 LYS 8 HD3 LYS 8 -15.920 0.725 -35.595
56 HE2 LYS 8 HE2 LYS 8 -16.123 2.354 -37.263
57 HE3 LYS 8 HE3 LYS 8 -14.693 1.789 -38.125
58 HZ1 LYS 8 HZ1 LYS 8 -17.331 1.107 -38.613
59 HZ2 LYS 8 HZ2 LYS 8 -16.605 -0.283 -37.958
60 HZ3 LYS 8 HZ3 LYS 8 -15.946 0.452 -39.341
61 HN1 NH2 9 HN1 NH2 9 -12.794 3.776 -34.752
62 HN2 NH2 9 HN2 NH2 9 -11.133 4.118 -34.804
63 H1 A2G 10 H1 A2G 10 -18.113 -0.721 -35.571
64 H2 A2G 10 H2 A2G 10 -18.709 0.362 -37.696
65 HN2 A2G 10 HN2 A2G 10 -20.760 0.932 -35.639
66 H3 A2G 10 H3 A2G 10 -21.442 -0.877 -37.276
67 HO3 A2G 10 HO3 A2G 10 -20.562 1.209 -38.666
68 H4 A2G 10 H4 A2G 10 -20.930 -2.274 -39.196
69 HO4 A2G 10 HO4 A2G 10 -18.555 -2.139 -39.802
70 H5 A2G 10 H5 A2G 10 -20.235 -3.154 -37.014
71 H6 A2G 10 H6 A2G 10 -18.871 -4.851 -37.838
72 H8 A2G 10 H8 A2G 10 -20.495 2.927 -34.519
73 H8A A2G 10 H8A A2G 10 -20.888 3.826 -35.984
74 H8B A2G 10 H8B A2G 10 -19.360 4.118 -35.154
75 H14 A2G 10 H14 A2G 10 -19.491 -4.178 -39.345
76 H15 A2G 10 H15 A2G 10 -17.480 -2.704 -38.894
77 H1 A2G 11 H1 A2G 11 -18.085 1.269 -28.498
78 H2 A2G 11 H2 A2G 11 -16.858 -0.741 -27.826
79 HN2 A2G 11 HN2 A2G 11 -18.264 -1.071 -30.410
80 H3 A2G 11 H3 A2G 11 -19.447 -2.216 -28.379
81 HO3 A2G 11 HO3 A2G 11 -17.615 -3.571 -27.010
82 H4 A2G 11 H4 A2G 11 -19.521 -2.615 -25.977
83 HO4 A2G 11 HO4 A2G 11 -17.177 -1.019 -25.937
84 H5 A2G 11 H5 A2G 11 -20.610 -0.569 -26.783
85 H6 A2G 11 H6 A2G 11 -20.748 -0.857 -24.407
86 H8 A2G 11 H8 A2G 11 -17.069 -1.219 -32.206
87 H8A A2G 11 H8A A2G 11 -15.668 -2.268 -31.988
88 H8B A2G 11 H8B A2G 11 -15.458 -0.518 -32.061
89 H14 A2G 11 H14 A2G 11 -19.082 -0.322 -24.181
90 H15 A2G 11 H15 A2G 11 -21.380 1.139 -24.508
Start of MODEL 4
1 H1 ACE 1 H1 ACE 1 -26.765 -6.819 -39.312
2 H2 ACE 1 H2 ACE 1 -28.226 -6.273 -38.486
3 H3 ACE 1 H3 ACE 1 -27.688 -7.945 -38.318
4 HA PRO 2 HA PRO 2 -25.263 -7.331 -34.729
5 HB2 PRO 2 HB2 PRO 2 -22.645 -7.642 -35.893
6 HB3 PRO 2 HB3 PRO 2 -23.574 -8.822 -34.956
7 HG2 PRO 2 HG2 PRO 2 -23.212 -8.612 -37.845
8 HG3 PRO 2 HG3 PRO 2 -23.745 -9.989 -36.870
9 HD2 PRO 2 HD2 PRO 2 -25.420 -8.587 -38.524
10 HD3 PRO 2 HD3 PRO 2 -25.978 -9.427 -37.058
11 H THR 3 H THR 3 -25.478 -5.183 -34.204
12 HA THR 3 HA THR 3 -23.908 -3.169 -35.628
13 HB THR 3 HB THR 3 -25.140 -1.733 -33.746
14 HG1 THR 3 HG1 THR 3 -26.080 -4.204 -33.423
15 HG21 THR 3 HG21 THR 3 -25.626 -1.225 -35.975
16 HG22 THR 3 HG22 THR 3 -27.184 -1.803 -35.382
17 HG23 THR 3 HG23 THR 3 -26.152 -2.869 -36.337
18 H THR 4 H THR 4 -22.797 -1.488 -34.241
19 HA THR 4 HA THR 4 -21.605 -2.634 -31.807
20 HB THR 4 HB THR 4 -19.397 -1.530 -32.788
21 HG21 THR 4 HG21 THR 4 -18.768 -3.754 -33.657
22 HG22 THR 4 HG22 THR 4 -20.468 -4.226 -33.675
23 HG23 THR 4 HG23 THR 4 -19.660 -3.897 -32.142
24 H THR 5 H THR 5 -19.916 -0.772 -31.025
25 HA THR 5 HA THR 5 -21.623 1.586 -30.656
26 HB THR 5 HB THR 5 -19.531 2.014 -28.997
27 HG21 THR 5 HG21 THR 5 -20.918 0.968 -27.241
28 HG22 THR 5 HG22 THR 5 -21.863 0.145 -28.482
29 HG23 THR 5 HG23 THR 5 -21.911 1.904 -28.360
30 HA PRO 6 HA PRO 6 -19.053 4.231 -33.039
31 HB2 PRO 6 HB2 PRO 6 -19.161 6.448 -31.200
32 HB3 PRO 6 HB3 PRO 6 -20.129 6.186 -32.659
33 HG2 PRO 6 HG2 PRO 6 -21.084 6.136 -30.068
34 HG3 PRO 6 HG3 PRO 6 -21.895 5.445 -31.481
35 HD2 PRO 6 HD2 PRO 6 -20.360 4.065 -29.329
36 HD3 PRO 6 HD3 PRO 6 -21.723 3.472 -30.305
37 H LEU 7 H LEU 7 -17.021 3.172 -32.810
38 HA LEU 7 HA LEU 7 -14.976 4.750 -31.614
39 HB2 LEU 7 HB2 LEU 7 -15.970 3.520 -29.613
40 HB3 LEU 7 HB3 LEU 7 -15.334 2.041 -30.332
41 HG LEU 7 HG LEU 7 -13.402 4.268 -30.209
42 HD11 LEU 7 HD11 LEU 7 -12.973 3.945 -27.790
43 HD12 LEU 7 HD12 LEU 7 -14.401 2.917 -27.682
44 HD13 LEU 7 HD13 LEU 7 -14.574 4.627 -28.077
45 HD21 LEU 7 HD21 LEU 7 -12.792 1.996 -30.916
46 HD22 LEU 7 HD22 LEU 7 -13.362 1.349 -29.377
47 HD23 LEU 7 HD23 LEU 7 -11.952 2.408 -29.421
48 H LYS 8 H LYS 8 -13.075 4.361 -32.617
49 HA LYS 8 HA LYS 8 -13.026 2.389 -34.729
50 HB2 LYS 8 HB2 LYS 8 -12.047 4.662 -34.995
51 HB3 LYS 8 HB3 LYS 8 -10.829 4.247 -33.788
52 HG2 LYS 8 HG2 LYS 8 -9.917 2.516 -35.171
53 HG3 LYS 8 HG3 LYS 8 -11.278 2.608 -36.291
54 HD2 LYS 8 HD2 LYS 8 -10.615 4.894 -36.925
55 HD3 LYS 8 HD3 LYS 8 -9.262 4.819 -35.795
56 HE2 LYS 8 HE2 LYS 8 -9.535 2.667 -37.865
57 HE3 LYS 8 HE3 LYS 8 -8.896 4.238 -38.349
58 HZ1 LYS 8 HZ1 LYS 8 -6.961 3.447 -37.613
59 HZ2 LYS 8 HZ2 LYS 8 -7.687 2.181 -36.743
60 HZ3 LYS 8 HZ3 LYS 8 -7.568 3.730 -36.055
61 HN1 NH2 9 HN1 NH2 9 -10.894 2.208 -31.461
62 HN2 NH2 9 HN2 NH2 9 -9.769 2.178 -32.732
63 H1 A2G 10 H1 A2G 10 -18.524 -0.679 -34.483
64 H2 A2G 10 H2 A2G 10 -18.356 -0.248 -36.896
65 HN2 A2G 10 HN2 A2G 10 -21.041 0.380 -35.816
66 H3 A2G 10 H3 A2G 10 -20.916 -1.853 -37.117
67 HO3 A2G 10 HO3 A2G 10 -19.394 -0.248 -38.802
68 H4 A2G 10 H4 A2G 10 -19.587 -3.541 -38.245
69 HO4 A2G 10 HO4 A2G 10 -17.188 -2.309 -37.597
70 H5 A2G 10 H5 A2G 10 -19.680 -3.750 -35.804
71 H6 A2G 10 H6 A2G 10 -17.527 -4.964 -35.444
72 H8 A2G 10 H8 A2G 10 -21.495 2.515 -35.479
73 H8A A2G 10 H8A A2G 10 -21.337 3.153 -37.116
74 H8B A2G 10 H8B A2G 10 -20.268 3.730 -35.837
75 H14 A2G 10 H14 A2G 10 -18.285 -5.381 -36.980
76 H15 A2G 10 H15 A2G 10 -16.876 -4.011 -38.028
77 H1 A2G 11 H1 A2G 11 -17.833 1.113 -28.226
78 H2 A2G 11 H2 A2G 11 -16.435 -0.818 -27.628
79 HN2 A2G 11 HN2 A2G 11 -17.284 -0.850 -30.464
80 H3 A2G 11 H3 A2G 11 -18.608 -2.481 -28.928
81 HO3 A2G 11 HO3 A2G 11 -16.965 -3.904 -27.486
82 H4 A2G 11 H4 A2G 11 -19.085 -3.312 -26.694
83 HO4 A2G 11 HO4 A2G 11 -17.319 -1.394 -25.638
84 H5 A2G 11 H5 A2G 11 -20.291 -1.283 -27.370
85 H6 A2G 11 H6 A2G 11 -20.720 -2.103 -25.104
86 H8 A2G 11 H8 A2G 11 -15.784 -0.422 -31.977
87 H8A A2G 11 H8A A2G 11 -14.400 -1.461 -31.635
88 H8B A2G 11 H8B A2G 11 -14.261 0.286 -31.443
89 H14 A2G 11 H14 A2G 11 -19.323 -1.217 -24.493
90 H15 A2G 11 H15 A2G 11 -21.208 -0.036 -24.138
Start of MODEL 5
1 H1 ACE 1 H1 ACE 1 -22.683 -8.755 -34.802
2 H2 ACE 1 H2 ACE 1 -22.615 -9.045 -36.541
3 H3 ACE 1 H3 ACE 1 -23.727 -9.974 -35.535
4 HA PRO 2 HA PRO 2 -27.157 -7.290 -35.963
5 HB2 PRO 2 HB2 PRO 2 -27.201 -6.178 -33.306
6 HB3 PRO 2 HB3 PRO 2 -28.228 -7.454 -33.975
7 HG2 PRO 2 HG2 PRO 2 -25.883 -7.666 -32.248
8 HG3 PRO 2 HG3 PRO 2 -27.162 -8.845 -32.567
9 HD2 PRO 2 HD2 PRO 2 -24.601 -9.129 -33.495
10 HD3 PRO 2 HD3 PRO 2 -26.017 -9.811 -34.327
11 H THR 3 H THR 3 -25.144 -5.549 -33.581
12 HA THR 3 HA THR 3 -24.597 -3.440 -35.528
13 HB THR 3 HB THR 3 -25.340 -1.982 -33.282
14 HG1 THR 3 HG1 THR 3 -27.349 -2.749 -32.747
15 HG21 THR 3 HG21 THR 3 -25.709 -1.251 -35.551
16 HG22 THR 3 HG22 THR 3 -27.279 -1.317 -34.751
17 HG23 THR 3 HG23 THR 3 -26.800 -2.601 -35.861
18 H THR 4 H THR 4 -23.135 -1.746 -34.534
19 HA THR 4 HA THR 4 -21.490 -2.817 -32.341
20 HB THR 4 HB THR 4 -19.432 -2.294 -33.619
21 HG21 THR 4 HG21 THR 4 -21.045 -4.092 -35.394
22 HG22 THR 4 HG22 THR 4 -20.796 -4.559 -33.712
23 HG23 THR 4 HG23 THR 4 -19.409 -4.312 -34.773
24 H THR 5 H THR 5 -19.770 -1.110 -31.734
25 HA THR 5 HA THR 5 -21.182 1.448 -31.464
26 HB THR 5 HB THR 5 -19.260 1.866 -29.792
27 HG21 THR 5 HG21 THR 5 -21.683 0.292 -29.618
28 HG22 THR 5 HG22 THR 5 -20.989 1.392 -28.428
29 HG23 THR 5 HG23 THR 5 -20.484 -0.296 -28.467
30 HA PRO 6 HA PRO 6 -18.898 3.816 -34.331
31 HB2 PRO 6 HB2 PRO 6 -17.974 5.763 -32.419
32 HB3 PRO 6 HB3 PRO 6 -19.304 5.912 -33.578
33 HG2 PRO 6 HG2 PRO 6 -19.385 5.324 -30.719
34 HG3 PRO 6 HG3 PRO 6 -20.668 5.905 -31.791
35 HD2 PRO 6 HD2 PRO 6 -20.622 3.372 -30.748
36 HD3 PRO 6 HD3 PRO 6 -21.390 3.771 -32.302
37 H LEU 7 H LEU 7 -17.325 1.964 -34.354
38 HA LEU 7 HA LEU 7 -15.241 0.996 -33.795
39 HB2 LEU 7 HB2 LEU 7 -15.073 2.370 -35.889
40 HB3 LEU 7 HB3 LEU 7 -14.461 3.699 -34.905
41 HG LEU 7 HG LEU 7 -12.634 2.192 -34.094
42 HD11 LEU 7 HD11 LEU 7 -12.413 0.200 -35.916
43 HD12 LEU 7 HD12 LEU 7 -14.170 0.297 -35.790
44 HD13 LEU 7 HD13 LEU 7 -13.198 -0.013 -34.352
45 HD21 LEU 7 HD21 LEU 7 -12.992 2.869 -37.004
46 HD22 LEU 7 HD22 LEU 7 -11.542 2.014 -36.477
47 HD23 LEU 7 HD23 LEU 7 -11.915 3.606 -35.817
48 H LYS 8 H LYS 8 -15.528 1.135 -31.429
49 HA LYS 8 HA LYS 8 -14.920 1.825 -29.307
50 HB2 LYS 8 HB2 LYS 8 -12.877 0.722 -30.049
51 HB3 LYS 8 HB3 LYS 8 -12.330 2.207 -30.828
52 HG2 LYS 8 HG2 LYS 8 -11.925 3.285 -28.795
53 HG3 LYS 8 HG3 LYS 8 -13.036 2.240 -27.908
54 HD2 LYS 8 HD2 LYS 8 -11.483 0.342 -28.198
55 HD3 LYS 8 HD3 LYS 8 -10.370 1.389 -29.078
56 HE2 LYS 8 HE2 LYS 8 -10.871 2.815 -26.752
57 HE3 LYS 8 HE3 LYS 8 -10.802 1.143 -26.192
58 HZ1 LYS 8 HZ1 LYS 8 -8.742 2.613 -27.738
59 HZ2 LYS 8 HZ2 LYS 8 -8.697 0.934 -27.480
60 HZ3 LYS 8 HZ3 LYS 8 -8.608 2.001 -26.162
61 HN1 NH2 9 HN1 NH2 9 -12.644 4.712 -29.677
62 HN2 NH2 9 HN2 NH2 9 -13.340 4.879 -31.217
63 H1 A2G 10 H1 A2G 10 -19.034 -0.400 -34.638
64 H2 A2G 10 H2 A2G 10 -18.734 0.657 -36.836
65 HN2 A2G 10 HN2 A2G 10 -21.598 0.521 -36.096
66 H3 A2G 10 H3 A2G 10 -20.879 -1.265 -37.777
67 HO3 A2G 10 HO3 A2G 10 -19.539 -0.095 -39.720
68 H4 A2G 10 H4 A2G 10 -19.127 -2.330 -39.083
69 HO4 A2G 10 HO4 A2G 10 -17.918 -0.222 -39.112
70 H5 A2G 10 H5 A2G 10 -19.430 -3.173 -36.797
71 H6 A2G 10 H6 A2G 10 -17.327 -4.282 -36.562
72 H8 A2G 10 H8 A2G 10 -22.287 2.455 -34.913
73 H8A A2G 10 H8A A2G 10 -22.440 3.189 -36.509
74 H8B A2G 10 H8B A2G 10 -21.450 3.965 -35.273
75 H14 A2G 10 H14 A2G 10 -17.498 -3.965 -38.288
76 H15 A2G 10 H15 A2G 10 -15.434 -3.373 -37.393
77 H1 A2G 11 H1 A2G 11 -17.252 1.106 -30.841
78 H2 A2G 11 H2 A2G 11 -15.370 -0.302 -30.124
79 HN2 A2G 11 HN2 A2G 11 -17.506 -1.836 -31.484
80 H3 A2G 11 H3 A2G 11 -17.492 -2.079 -28.889
81 HO3 A2G 11 HO3 A2G 11 -14.681 -2.201 -28.643
82 H4 A2G 11 H4 A2G 11 -16.590 -1.391 -26.740
83 HO4 A2G 11 HO4 A2G 11 -14.452 -0.965 -27.812
84 H5 A2G 11 H5 A2G 11 -18.370 0.025 -27.664
85 H6 A2G 11 H6 A2G 11 -17.550 0.787 -25.543
86 H8 A2G 11 H8 A2G 11 -17.116 -2.421 -33.571
87 H8A A2G 11 H8A A2G 11 -15.685 -3.437 -33.404
88 H8B A2G 11 H8B A2G 11 -15.600 -1.940 -34.333
89 H14 A2G 11 H14 A2G 11 -16.102 1.477 -26.278
90 H15 A2G 11 H15 A2G 11 -18.571 2.362 -27.207
Start of MODEL 6
1 H1 ACE 1 H1 ACE 1 -27.263 -7.756 -39.224
2 H2 ACE 1 H2 ACE 1 -27.075 -6.081 -39.743
3 H3 ACE 1 H3 ACE 1 -28.495 -6.563 -38.814
4 HA PRO 2 HA PRO 2 -24.867 -7.273 -35.593
5 HB2 PRO 2 HB2 PRO 2 -22.578 -5.947 -36.731
6 HB3 PRO 2 HB3 PRO 2 -22.747 -7.652 -36.288
7 HG2 PRO 2 HG2 PRO 2 -22.929 -6.384 -38.912
8 HG3 PRO 2 HG3 PRO 2 -22.656 -8.082 -38.493
9 HD2 PRO 2 HD2 PRO 2 -24.994 -7.169 -39.590
10 HD3 PRO 2 HD3 PRO 2 -24.909 -8.590 -38.525
11 H THR 3 H THR 3 -23.972 -5.678 -34.081
12 HA THR 3 HA THR 3 -24.342 -2.862 -34.767
13 HB THR 3 HB THR 3 -26.533 -3.219 -34.009
14 HG1 THR 3 HG1 THR 3 -24.801 -2.404 -31.950
15 HG21 THR 3 HG21 THR 3 -26.300 -5.522 -33.279
16 HG22 THR 3 HG22 THR 3 -27.018 -4.586 -31.966
17 HG23 THR 3 HG23 THR 3 -25.311 -5.024 -31.905
18 H THR 4 H THR 4 -22.811 -1.654 -33.833
19 HA THR 4 HA THR 4 -21.572 -2.588 -31.331
20 HB THR 4 HB THR 4 -19.389 -1.617 -32.594
21 HG21 THR 4 HG21 THR 4 -19.547 -3.786 -31.450
22 HG22 THR 4 HG22 THR 4 -18.792 -3.984 -33.030
23 HG23 THR 4 HG23 THR 4 -20.478 -4.440 -32.796
24 H THR 5 H THR 5 -19.628 -0.652 -31.105
25 HA THR 5 HA THR 5 -21.275 1.730 -30.650
26 HB THR 5 HB THR 5 -18.727 2.218 -29.634
27 HG21 THR 5 HG21 THR 5 -19.882 1.574 -27.437
28 HG22 THR 5 HG22 THR 5 -21.278 1.143 -28.424
29 HG23 THR 5 HG23 THR 5 -20.687 2.804 -28.411
30 HA PRO 6 HA PRO 6 -19.392 4.104 -33.810
31 HB2 PRO 6 HB2 PRO 6 -19.114 6.508 -32.244
32 HB3 PRO 6 HB3 PRO 6 -20.396 6.090 -33.391
33 HG2 PRO 6 HG2 PRO 6 -20.701 6.322 -30.656
34 HG3 PRO 6 HG3 PRO 6 -21.808 5.482 -31.750
35 HD2 PRO 6 HD2 PRO 6 -19.768 4.343 -29.898
36 HD3 PRO 6 HD3 PRO 6 -21.309 3.649 -30.449
37 H LEU 7 H LEU 7 -17.547 2.804 -31.694
38 HA LEU 7 HA LEU 7 -15.294 4.532 -31.403
39 HB2 LEU 7 HB2 LEU 7 -16.014 1.805 -30.690
40 HB3 LEU 7 HB3 LEU 7 -14.343 1.918 -31.245
41 HG LEU 7 HG LEU 7 -14.037 3.866 -29.675
42 HD11 LEU 7 HD11 LEU 7 -16.854 3.623 -29.493
43 HD12 LEU 7 HD12 LEU 7 -15.817 4.747 -28.616
44 HD13 LEU 7 HD13 LEU 7 -16.210 3.179 -27.912
45 HD21 LEU 7 HD21 LEU 7 -13.631 2.479 -27.793
46 HD22 LEU 7 HD22 LEU 7 -13.519 1.384 -29.172
47 HD23 LEU 7 HD23 LEU 7 -14.981 1.413 -28.186
48 H LYS 8 H LYS 8 -13.133 4.019 -32.331
49 HA LYS 8 HA LYS 8 -13.332 3.855 -35.209
50 HB2 LYS 8 HB2 LYS 8 -11.068 4.531 -35.247
51 HB3 LYS 8 HB3 LYS 8 -11.759 5.375 -33.861
52 HG2 LYS 8 HG2 LYS 8 -10.991 3.253 -32.525
53 HG3 LYS 8 HG3 LYS 8 -9.915 3.001 -33.900
54 HD2 LYS 8 HD2 LYS 8 -9.302 5.521 -33.554
55 HD3 LYS 8 HD3 LYS 8 -9.970 5.282 -31.940
56 HE2 LYS 8 HE2 LYS 8 -7.628 4.814 -31.766
57 HE3 LYS 8 HE3 LYS 8 -8.446 3.251 -31.741
58 HZ1 LYS 8 HZ1 LYS 8 -6.550 3.252 -33.246
59 HZ2 LYS 8 HZ2 LYS 8 -7.238 4.525 -34.137
60 HZ3 LYS 8 HZ3 LYS 8 -7.999 3.007 -34.093
61 HN1 NH2 9 HN1 NH2 9 -11.753 0.786 -33.168
62 HN2 NH2 9 HN2 NH2 9 -13.430 1.035 -33.262
63 H1 A2G 10 H1 A2G 10 -18.458 -1.442 -34.411
64 H2 A2G 10 H2 A2G 10 -18.507 -1.204 -36.856
65 HN2 A2G 10 HN2 A2G 10 -20.968 -0.092 -35.643
66 H3 A2G 10 H3 A2G 10 -21.285 -2.399 -36.668
67 HO3 A2G 10 HO3 A2G 10 -21.352 -1.231 -38.432
68 H4 A2G 10 H4 A2G 10 -20.355 -4.336 -37.803
69 HO4 A2G 10 HO4 A2G 10 -17.778 -3.980 -37.615
70 H5 A2G 10 H5 A2G 10 -20.224 -4.358 -35.352
71 H6 A2G 10 H6 A2G 10 -18.718 -6.132 -35.178
72 H8 A2G 10 H8 A2G 10 -20.874 2.147 -35.189
73 H8A A2G 10 H8A A2G 10 -20.953 2.569 -36.900
74 H8B A2G 10 H8B A2G 10 -19.597 3.122 -35.917
75 H14 A2G 10 H14 A2G 10 -18.980 -6.084 -36.921
76 H15 A2G 10 H15 A2G 10 -16.920 -5.790 -37.052
77 H1 A2G 11 H1 A2G 11 -17.161 1.248 -28.829
78 H2 A2G 11 H2 A2G 11 -15.812 -0.760 -28.395
79 HN2 A2G 11 HN2 A2G 11 -17.214 -0.916 -30.999
80 H3 A2G 11 H3 A2G 11 -18.317 -2.299 -29.131
81 HO3 A2G 11 HO3 A2G 11 -16.888 -4.013 -28.294
82 H4 A2G 11 H4 A2G 11 -18.392 -2.977 -26.799
83 HO4 A2G 11 HO4 A2G 11 -16.000 -2.681 -26.645
84 H5 A2G 11 H5 A2G 11 -19.561 -0.890 -27.352
85 H6 A2G 11 H6 A2G 11 -18.994 -1.725 -24.864
86 H8 A2G 11 H8 A2G 11 -15.930 -1.182 -32.805
87 H8A A2G 11 H8A A2G 11 -14.177 -1.249 -32.628
88 H8B A2G 11 H8B A2G 11 -14.999 0.310 -32.676
89 H14 A2G 11 H14 A2G 11 -18.177 -0.163 -24.807
90 H15 A2G 11 H15 A2G 11 -20.213 0.303 -24.243
Start of MODEL 7
1 H1 ACE 1 H1 ACE 1 -22.725 -9.601 -34.003
2 H2 ACE 1 H2 ACE 1 -22.810 -8.344 -32.770
3 H3 ACE 1 H3 ACE 1 -21.361 -8.510 -33.761
4 HA PRO 2 HA PRO 2 -24.728 -7.223 -37.082
5 HB2 PRO 2 HB2 PRO 2 -26.995 -6.322 -35.552
6 HB3 PRO 2 HB3 PRO 2 -26.927 -7.635 -36.737
7 HG2 PRO 2 HG2 PRO 2 -26.879 -7.757 -33.820
8 HG3 PRO 2 HG3 PRO 2 -27.251 -9.023 -34.998
9 HD2 PRO 2 HD2 PRO 2 -24.956 -8.998 -33.504
10 HD3 PRO 2 HD3 PRO 2 -25.058 -9.743 -35.116
11 H THR 3 H THR 3 -25.610 -5.492 -34.084
12 HA THR 3 HA THR 3 -24.835 -2.960 -35.328
13 HB THR 3 HB THR 3 -25.826 -1.981 -33.233
14 HG1 THR 3 HG1 THR 3 -27.227 -3.858 -32.291
15 HG21 THR 3 HG21 THR 3 -27.169 -3.494 -35.341
16 HG22 THR 3 HG22 THR 3 -27.549 -1.900 -34.689
17 HG23 THR 3 HG23 THR 3 -28.154 -3.348 -33.886
18 H THR 4 H THR 4 -23.256 -1.591 -34.525
19 HA THR 4 HA THR 4 -21.590 -2.580 -32.308
20 HB THR 4 HB THR 4 -19.543 -2.146 -33.594
21 HG21 THR 4 HG21 THR 4 -21.195 -3.866 -35.410
22 HG22 THR 4 HG22 THR 4 -20.982 -4.364 -33.733
23 HG23 THR 4 HG23 THR 4 -19.575 -4.148 -34.774
24 H THR 5 H THR 5 -19.982 -0.878 -31.625
25 HA THR 5 HA THR 5 -21.355 1.714 -31.564
26 HB THR 5 HB THR 5 -19.319 2.040 -29.837
27 HG21 THR 5 HG21 THR 5 -21.810 0.418 -29.238
28 HG22 THR 5 HG22 THR 5 -21.762 2.177 -29.357
29 HG23 THR 5 HG23 THR 5 -20.870 1.355 -28.076
30 HA PRO 6 HA PRO 6 -18.788 4.007 -34.242
31 HB2 PRO 6 HB2 PRO 6 -17.821 5.867 -32.267
32 HB3 PRO 6 HB3 PRO 6 -19.089 6.116 -33.476
33 HG2 PRO 6 HG2 PRO 6 -19.326 5.501 -30.631
34 HG3 PRO 6 HG3 PRO 6 -20.524 6.176 -31.745
35 HD2 PRO 6 HD2 PRO 6 -20.681 3.633 -30.738
36 HD3 PRO 6 HD3 PRO 6 -21.359 4.098 -32.315
37 H LEU 7 H LEU 7 -17.116 2.588 -34.721
38 HA LEU 7 HA LEU 7 -15.121 1.399 -34.346
39 HB2 LEU 7 HB2 LEU 7 -14.769 3.720 -35.504
40 HB3 LEU 7 HB3 LEU 7 -13.987 4.153 -33.984
41 HG LEU 7 HG LEU 7 -12.802 1.777 -34.388
42 HD11 LEU 7 HD11 LEU 7 -14.126 1.511 -36.538
43 HD12 LEU 7 HD12 LEU 7 -12.378 1.364 -36.719
44 HD13 LEU 7 HD13 LEU 7 -13.191 2.856 -37.190
45 HD21 LEU 7 HD21 LEU 7 -11.537 3.786 -34.038
46 HD22 LEU 7 HD22 LEU 7 -12.080 4.470 -35.570
47 HD23 LEU 7 HD23 LEU 7 -10.966 3.103 -35.560
48 H LYS 8 H LYS 8 -12.893 2.886 -32.917
49 HA LYS 8 HA LYS 8 -13.303 1.636 -30.343
50 HB2 LYS 8 HB2 LYS 8 -11.012 3.311 -31.400
51 HB3 LYS 8 HB3 LYS 8 -11.003 2.417 -29.879
52 HG2 LYS 8 HG2 LYS 8 -11.499 0.325 -31.211
53 HG3 LYS 8 HG3 LYS 8 -11.226 1.273 -32.673
54 HD2 LYS 8 HD2 LYS 8 -9.223 0.848 -30.436
55 HD3 LYS 8 HD3 LYS 8 -9.168 0.093 -32.030
56 HE2 LYS 8 HE2 LYS 8 -9.285 2.596 -32.873
57 HE3 LYS 8 HE3 LYS 8 -8.649 2.945 -31.265
58 HZ1 LYS 8 HZ1 LYS 8 -6.711 2.580 -32.348
59 HZ2 LYS 8 HZ2 LYS 8 -7.403 1.537 -33.497
60 HZ3 LYS 8 HZ3 LYS 8 -7.051 0.970 -31.935
61 HN1 NH2 9 HN1 NH2 9 -11.706 3.890 -28.911
62 HN2 NH2 9 HN2 NH2 9 -12.532 5.349 -29.176
63 H1 A2G 10 H1 A2G 10 -19.085 -0.247 -34.576
64 H2 A2G 10 H2 A2G 10 -18.735 0.839 -36.754
65 HN2 A2G 10 HN2 A2G 10 -21.602 0.766 -36.010
66 H3 A2G 10 H3 A2G 10 -20.925 -1.007 -37.746
67 HO3 A2G 10 HO3 A2G 10 -19.780 0.028 -39.742
68 H4 A2G 10 H4 A2G 10 -19.192 -2.098 -39.054
69 HO4 A2G 10 HO4 A2G 10 -17.190 -0.686 -37.718
70 H5 A2G 10 H5 A2G 10 -19.538 -2.971 -36.787
71 H6 A2G 10 H6 A2G 10 -17.525 -4.193 -36.611
72 H8 A2G 10 H8 A2G 10 -22.341 2.687 -34.982
73 H8A A2G 10 H8A A2G 10 -22.327 3.547 -36.522
74 H8B A2G 10 H8B A2G 10 -21.400 4.169 -35.156
75 H14 A2G 10 H14 A2G 10 -17.564 -3.717 -38.309
76 H15 A2G 10 H15 A2G 10 -15.939 -2.835 -36.238
77 H1 A2G 11 H1 A2G 11 -17.688 1.030 -29.024
78 H2 A2G 11 H2 A2G 11 -16.554 -0.966 -28.149
79 HN2 A2G 11 HN2 A2G 11 -17.392 -1.403 -30.955
80 H3 A2G 11 H3 A2G 11 -18.925 -2.494 -29.256
81 HO3 A2G 11 HO3 A2G 11 -16.583 -3.306 -29.045
82 H4 A2G 11 H4 A2G 11 -19.510 -2.949 -26.943
83 HO4 A2G 11 HO4 A2G 11 -17.586 -2.942 -25.914
84 H5 A2G 11 H5 A2G 11 -20.439 -0.889 -27.903
85 H6 A2G 11 H6 A2G 11 -20.185 -1.458 -25.189
86 H8 A2G 11 H8 A2G 11 -15.675 -1.971 -32.358
87 H8A A2G 11 H8A A2G 11 -14.013 -1.661 -31.857
88 H8B A2G 11 H8B A2G 11 -15.048 -0.323 -32.360
89 H14 A2G 11 H14 A2G 11 -19.718 0.239 -25.300
90 H15 A2G 11 H15 A2G 11 -21.755 0.105 -26.829
Start of MODEL 8
1 H1 ACE 1 H1 ACE 1 -26.926 -8.234 -32.494
2 H2 ACE 1 H2 ACE 1 -26.444 -6.652 -31.880
3 H3 ACE 1 H3 ACE 1 -25.259 -7.952 -31.995
4 HA PRO 2 HA PRO 2 -26.372 -7.171 -36.702
5 HB2 PRO 2 HB2 PRO 2 -27.822 -4.681 -36.735
6 HB3 PRO 2 HB3 PRO 2 -28.362 -6.270 -37.299
7 HG2 PRO 2 HG2 PRO 2 -28.960 -4.880 -34.801
8 HG3 PRO 2 HG3 PRO 2 -29.807 -6.227 -35.577
9 HD2 PRO 2 HD2 PRO 2 -28.337 -6.505 -33.281
10 HD3 PRO 2 HD3 PRO 2 -28.572 -7.823 -34.451
11 H THR 3 H THR 3 -26.534 -3.971 -35.121
12 HA THR 3 HA THR 3 -24.132 -3.143 -36.567
13 HB THR 3 HB THR 3 -25.567 -1.360 -34.644
14 HG1 THR 3 HG1 THR 3 -27.250 -2.298 -35.756
15 HG21 THR 3 HG21 THR 3 -24.746 0.328 -36.004
16 HG22 THR 3 HG22 THR 3 -24.747 -0.691 -37.444
17 HG23 THR 3 HG23 THR 3 -23.492 -0.893 -36.221
18 H THR 4 H THR 4 -22.340 -2.144 -35.476
19 HA THR 4 HA THR 4 -21.842 -3.358 -32.840
20 HB THR 4 HB THR 4 -19.433 -2.391 -33.557
21 HG21 THR 4 HG21 THR 4 -19.969 -4.740 -33.021
22 HG22 THR 4 HG22 THR 4 -18.961 -4.636 -34.465
23 HG23 THR 4 HG23 THR 4 -20.692 -4.937 -34.618
24 H THR 5 H THR 5 -20.069 -1.889 -31.634
25 HA THR 5 HA THR 5 -21.444 0.660 -31.161
26 HB THR 5 HB THR 5 -20.039 0.718 -29.092
27 HG21 THR 5 HG21 THR 5 -21.740 -0.393 -28.124
28 HG22 THR 5 HG22 THR 5 -21.124 -1.929 -28.735
29 HG23 THR 5 HG23 THR 5 -22.225 -0.965 -29.719
30 HA PRO 6 HA PRO 6 -18.621 3.335 -33.152
31 HB2 PRO 6 HB2 PRO 6 -18.046 4.907 -30.807
32 HB3 PRO 6 HB3 PRO 6 -19.127 5.301 -32.151
33 HG2 PRO 6 HG2 PRO 6 -19.762 4.272 -29.494
34 HG3 PRO 6 HG3 PRO 6 -20.807 5.076 -30.674
35 HD2 PRO 6 HD2 PRO 6 -21.003 2.412 -30.073
36 HD3 PRO 6 HD3 PRO 6 -21.454 3.087 -31.655
37 H LEU 7 H LEU 7 -16.582 2.807 -33.667
38 HA LEU 7 HA LEU 7 -14.854 1.381 -31.906
39 HB2 LEU 7 HB2 LEU 7 -13.182 1.649 -33.717
40 HB3 LEU 7 HB3 LEU 7 -14.731 1.061 -34.321
41 HG LEU 7 HG LEU 7 -14.815 3.917 -34.320
42 HD11 LEU 7 HD11 LEU 7 -12.350 3.830 -34.343
43 HD12 LEU 7 HD12 LEU 7 -12.970 4.390 -35.896
44 HD13 LEU 7 HD13 LEU 7 -12.398 2.730 -35.721
45 HD21 LEU 7 HD21 LEU 7 -14.568 1.929 -36.601
46 HD22 LEU 7 HD22 LEU 7 -15.206 3.569 -36.717
47 HD23 LEU 7 HD23 LEU 7 -16.075 2.349 -35.786
48 H LYS 8 H LYS 8 -12.808 2.053 -31.083
49 HA LYS 8 HA LYS 8 -11.605 3.483 -29.721
50 HB2 LYS 8 HB2 LYS 8 -10.585 3.968 -31.864
51 HB3 LYS 8 HB3 LYS 8 -11.871 5.109 -32.259
52 HG2 LYS 8 HG2 LYS 8 -11.113 6.702 -30.740
53 HG3 LYS 8 HG3 LYS 8 -10.299 5.503 -29.734
54 HD2 LYS 8 HD2 LYS 8 -8.494 5.286 -31.257
55 HD3 LYS 8 HD3 LYS 8 -9.385 6.086 -32.552
56 HE2 LYS 8 HE2 LYS 8 -7.702 7.602 -31.565
57 HE3 LYS 8 HE3 LYS 8 -9.338 8.202 -31.291
58 HZ1 LYS 8 HZ1 LYS 8 -9.178 6.912 -29.105
59 HZ2 LYS 8 HZ2 LYS 8 -8.332 8.381 -29.228
60 HZ3 LYS 8 HZ3 LYS 8 -7.504 6.904 -29.378
61 HN1 NH2 9 HN1 NH2 9 -14.155 6.076 -31.060
62 HN2 NH2 9 HN2 NH2 9 -12.953 6.948 -30.239
63 H1 A2G 10 H1 A2G 10 -18.368 -1.566 -35.154
64 H2 A2G 10 H2 A2G 10 -17.985 -1.086 -37.533
65 HN2 A2G 10 HN2 A2G 10 -20.694 -0.247 -36.681
66 H3 A2G 10 H3 A2G 10 -20.652 -2.453 -37.983
67 HO3 A2G 10 HO3 A2G 10 -18.854 -0.980 -39.533
68 H4 A2G 10 H4 A2G 10 -19.384 -4.208 -39.087
69 HO4 A2G 10 HO4 A2G 10 -17.406 -2.333 -38.863
70 H5 A2G 10 H5 A2G 10 -19.703 -4.471 -36.668
71 H6 A2G 10 H6 A2G 10 -18.050 -6.118 -36.313
72 H8 A2G 10 H8 A2G 10 -20.840 1.997 -36.096
73 H8A A2G 10 H8A A2G 10 -20.757 2.415 -37.808
74 H8B A2G 10 H8B A2G 10 -19.593 3.102 -36.676
75 H14 A2G 10 H14 A2G 10 -18.138 -6.008 -38.071
76 H15 A2G 10 H15 A2G 10 -16.234 -4.848 -36.331
77 H1 A2G 11 H1 A2G 11 -17.786 0.530 -29.661
78 H2 A2G 11 H2 A2G 11 -15.855 -0.791 -28.909
79 HN2 A2G 11 HN2 A2G 11 -17.319 -2.083 -31.135
80 H3 A2G 11 H3 A2G 11 -17.800 -3.112 -28.801
81 HO3 A2G 11 HO3 A2G 11 -15.754 -3.778 -29.322
82 H4 A2G 11 H4 A2G 11 -17.509 -3.035 -26.389
83 HO4 A2G 11 HO4 A2G 11 -15.851 -0.803 -26.944
84 H5 A2G 11 H5 A2G 11 -19.302 -1.628 -27.304
85 H6 A2G 11 H6 A2G 11 -18.390 -1.485 -24.804
86 H8 A2G 11 H8 A2G 11 -16.155 -2.523 -32.985
87 H8A A2G 11 H8A A2G 11 -14.437 -2.128 -33.051
88 H8B A2G 11 H8B A2G 11 -15.641 -0.877 -33.360
89 H14 A2G 11 H14 A2G 11 -18.015 0.170 -25.286
90 H15 A2G 11 H15 A2G 11 -20.349 -0.075 -26.182
Start of MODEL 9
1 H1 ACE 1 H1 ACE 1 -27.917 -5.659 -39.383
2 H2 ACE 1 H2 ACE 1 -29.452 -5.854 -38.535
3 H3 ACE 1 H3 ACE 1 -28.444 -7.262 -38.871
4 HA PRO 2 HA PRO 2 -26.204 -7.187 -35.113
5 HB2 PRO 2 HB2 PRO 2 -23.647 -6.322 -36.123
6 HB3 PRO 2 HB3 PRO 2 -24.155 -7.961 -35.686
7 HG2 PRO 2 HG2 PRO 2 -23.954 -6.715 -38.319
8 HG3 PRO 2 HG3 PRO 2 -24.024 -8.428 -37.881
9 HD2 PRO 2 HD2 PRO 2 -26.087 -7.112 -39.112
10 HD3 PRO 2 HD3 PRO 2 -26.328 -8.510 -38.039
11 H THR 3 H THR 3 -24.697 -5.733 -33.731
12 HA THR 3 HA THR 3 -24.860 -2.893 -34.404
13 HB THR 3 HB THR 3 -25.762 -3.279 -31.678
14 HG1 THR 3 HG1 THR 3 -26.834 -5.061 -32.295
15 HG21 THR 3 HG21 THR 3 -27.019 -1.987 -34.116
16 HG22 THR 3 HG22 THR 3 -25.929 -1.189 -32.982
17 HG23 THR 3 HG23 THR 3 -27.519 -1.731 -32.444
18 H THR 4 H THR 4 -23.099 -1.841 -33.716
19 HA THR 4 HA THR 4 -21.580 -2.920 -31.437
20 HB THR 4 HB THR 4 -19.504 -2.242 -32.945
21 HG21 THR 4 HG21 THR 4 -19.344 -4.600 -33.649
22 HG22 THR 4 HG22 THR 4 -21.058 -4.822 -33.296
23 HG23 THR 4 HG23 THR 4 -19.925 -4.480 -31.988
24 H THR 5 H THR 5 -19.557 -1.261 -31.205
25 HA THR 5 HA THR 5 -20.846 1.348 -30.815
26 HB THR 5 HB THR 5 -18.305 1.471 -29.695
27 HG21 THR 5 HG21 THR 5 -20.190 2.328 -28.533
28 HG22 THR 5 HG22 THR 5 -19.634 0.976 -27.547
29 HG23 THR 5 HG23 THR 5 -21.033 0.781 -28.601
30 HA PRO 6 HA PRO 6 -18.439 3.383 -33.874
31 HB2 PRO 6 HB2 PRO 6 -17.769 5.677 -32.263
32 HB3 PRO 6 HB3 PRO 6 -19.065 5.518 -33.459
33 HG2 PRO 6 HG2 PRO 6 -19.417 5.781 -30.732
34 HG3 PRO 6 HG3 PRO 6 -20.624 5.175 -31.875
35 HD2 PRO 6 HD2 PRO 6 -18.902 3.655 -29.973
36 HD3 PRO 6 HD3 PRO 6 -20.526 3.269 -30.586
37 H LEU 7 H LEU 7 -16.393 3.250 -34.623
38 HA LEU 7 HA LEU 7 -14.269 2.372 -32.938
39 HB2 LEU 7 HB2 LEU 7 -14.510 1.801 -35.368
40 HB3 LEU 7 HB3 LEU 7 -14.064 3.463 -35.752
41 HG LEU 7 HG LEU 7 -11.945 3.133 -34.449
42 HD11 LEU 7 HD11 LEU 7 -11.503 0.472 -34.346
43 HD12 LEU 7 HD12 LEU 7 -13.241 0.485 -34.048
44 HD13 LEU 7 HD13 LEU 7 -12.157 1.380 -32.983
45 HD21 LEU 7 HD21 LEU 7 -10.915 1.565 -36.167
46 HD22 LEU 7 HD22 LEU 7 -11.817 2.921 -36.842
47 HD23 LEU 7 HD23 LEU 7 -12.543 1.314 -36.797
48 H LYS 8 H LYS 8 -12.460 3.448 -32.206
49 HA LYS 8 HA LYS 8 -12.759 6.294 -31.800
50 HB2 LYS 8 HB2 LYS 8 -11.898 4.904 -29.990
51 HB3 LYS 8 HB3 LYS 8 -10.551 4.382 -31.003
52 HG2 LYS 8 HG2 LYS 8 -9.456 6.401 -30.833
53 HG3 LYS 8 HG3 LYS 8 -10.954 7.319 -30.668
54 HD2 LYS 8 HD2 LYS 8 -11.238 6.476 -28.375
55 HD3 LYS 8 HD3 LYS 8 -9.760 5.526 -28.534
56 HE2 LYS 8 HE2 LYS 8 -8.634 7.795 -29.130
57 HE3 LYS 8 HE3 LYS 8 -10.066 8.519 -28.396
58 HZ1 LYS 8 HZ1 LYS 8 -9.118 8.192 -26.438
59 HZ2 LYS 8 HZ2 LYS 8 -7.824 7.342 -27.137
60 HZ3 LYS 8 HZ3 LYS 8 -9.237 6.517 -26.680
61 HN1 NH2 9 HN1 NH2 9 -11.781 5.122 -34.774
62 HN2 NH2 9 HN2 NH2 9 -10.100 5.061 -34.543
63 H1 A2G 10 H1 A2G 10 -18.905 -1.663 -34.859
64 H2 A2G 10 H2 A2G 10 -19.179 -1.484 -37.295
65 HN2 A2G 10 HN2 A2G 10 -21.530 -0.412 -35.848
66 H3 A2G 10 H3 A2G 10 -21.890 -2.758 -36.833
67 HO3 A2G 10 HO3 A2G 10 -20.892 -2.637 -39.352
68 H4 A2G 10 H4 A2G 10 -21.003 -4.692 -38.006
69 HO4 A2G 10 HO4 A2G 10 -18.661 -4.638 -38.406
70 H5 A2G 10 H5 A2G 10 -20.653 -4.652 -35.576
71 H6 A2G 10 H6 A2G 10 -19.075 -6.372 -35.499
72 H8 A2G 10 H8 A2G 10 -21.543 1.843 -35.576
73 H8A A2G 10 H8A A2G 10 -21.801 2.166 -37.290
74 H8B A2G 10 H8B A2G 10 -20.389 2.833 -36.471
75 H14 A2G 10 H14 A2G 10 -19.503 -6.380 -37.210
76 H15 A2G 10 H15 A2G 10 -17.454 -4.692 -36.344
77 H1 A2G 11 H1 A2G 11 -17.118 0.385 -28.463
78 H2 A2G 11 H2 A2G 11 -15.863 -1.711 -28.190
79 HN2 A2G 11 HN2 A2G 11 -16.834 -1.405 -30.971
80 H3 A2G 11 H3 A2G 11 -18.226 -3.017 -29.564
81 HO3 A2G 11 HO3 A2G 11 -16.403 -4.562 -28.274
82 H4 A2G 11 H4 A2G 11 -18.671 -4.089 -27.429
83 HO4 A2G 11 HO4 A2G 11 -16.711 -2.468 -26.234
84 H5 A2G 11 H5 A2G 11 -19.729 -1.901 -27.777
85 H6 A2G 11 H6 A2G 11 -19.521 -3.175 -25.403
86 H8 A2G 11 H8 A2G 11 -15.275 -1.379 -32.561
87 H8A A2G 11 H8A A2G 11 -13.571 -1.468 -32.114
88 H8B A2G 11 H8B A2G 11 -14.415 0.080 -32.067
89 H14 A2G 11 H14 A2G 11 -18.783 -1.633 -24.966
90 H15 A2G 11 H15 A2G 11 -21.250 -1.836 -26.332
Start of MODEL 10
1 H1 ACE 1 H1 ACE 1 -30.319 -4.369 -34.349
2 H2 ACE 1 H2 ACE 1 -30.527 -6.101 -34.606
3 H3 ACE 1 H3 ACE 1 -30.259 -5.031 -35.982
4 HA PRO 2 HA PRO 2 -26.310 -7.183 -34.166
5 HB2 PRO 2 HB2 PRO 2 -25.723 -7.842 -36.908
6 HB3 PRO 2 HB3 PRO 2 -26.055 -8.945 -35.564
7 HG2 PRO 2 HG2 PRO 2 -27.818 -8.041 -37.708
8 HG3 PRO 2 HG3 PRO 2 -27.967 -9.440 -36.637
9 HD2 PRO 2 HD2 PRO 2 -29.589 -7.241 -36.458
10 HD3 PRO 2 HD3 PRO 2 -29.197 -8.275 -35.066
11 H THR 3 H THR 3 -25.132 -5.375 -33.727
12 HA THR 3 HA THR 3 -23.764 -4.080 -35.962
13 HB THR 3 HB THR 3 -25.875 -2.763 -35.462
14 HG1 THR 3 HG1 THR 3 -24.788 -0.932 -35.807
15 HG21 THR 3 HG21 THR 3 -25.322 -3.219 -32.872
16 HG22 THR 3 HG22 THR 3 -26.235 -1.807 -33.406
17 HG23 THR 3 HG23 THR 3 -24.512 -1.663 -33.055
18 H THR 4 H THR 4 -22.492 -2.071 -34.641
19 HA THR 4 HA THR 4 -21.227 -3.294 -32.282
20 HB THR 4 HB THR 4 -19.027 -2.310 -33.438
21 HG21 THR 4 HG21 THR 4 -20.280 -4.985 -34.127
22 HG22 THR 4 HG22 THR 4 -19.353 -4.634 -32.668
23 HG23 THR 4 HG23 THR 4 -18.564 -4.596 -34.245
24 H THR 5 H THR 5 -19.470 -1.603 -31.473
25 HA THR 5 HA THR 5 -20.935 0.918 -31.146
26 HB THR 5 HB THR 5 -19.313 1.296 -29.276
27 HG21 THR 5 HG21 THR 5 -21.554 -0.027 -29.138
28 HG22 THR 5 HG22 THR 5 -20.420 -0.153 -27.793
29 HG23 THR 5 HG23 THR 5 -20.520 -1.448 -28.985
30 HA PRO 6 HA PRO 6 -18.513 3.458 -33.748
31 HB2 PRO 6 HB2 PRO 6 -17.777 5.328 -31.684
32 HB3 PRO 6 HB3 PRO 6 -19.021 5.505 -32.930
33 HG2 PRO 6 HG2 PRO 6 -19.296 4.781 -30.116
34 HG3 PRO 6 HG3 PRO 6 -20.510 5.386 -31.250
35 HD2 PRO 6 HD2 PRO 6 -20.480 2.808 -30.326
36 HD3 PRO 6 HD3 PRO 6 -21.143 3.264 -31.912
37 H LEU 7 H LEU 7 -16.435 3.359 -34.424
38 HA LEU 7 HA LEU 7 -14.470 1.981 -32.887
39 HB2 LEU 7 HB2 LEU 7 -12.963 2.499 -34.773
40 HB3 LEU 7 HB3 LEU 7 -14.509 1.864 -35.335
41 HG LEU 7 HG LEU 7 -14.963 4.598 -35.179
42 HD11 LEU 7 HD11 LEU 7 -12.529 4.955 -34.854
43 HD12 LEU 7 HD12 LEU 7 -13.086 5.626 -36.387
44 HD13 LEU 7 HD13 LEU 7 -12.214 4.093 -36.360
45 HD21 LEU 7 HD21 LEU 7 -14.845 4.465 -37.679
46 HD22 LEU 7 HD22 LEU 7 -15.754 3.135 -36.962
47 HD23 LEU 7 HD23 LEU 7 -14.102 2.874 -37.523
48 H LYS 8 H LYS 8 -12.941 2.732 -31.549
49 HA LYS 8 HA LYS 8 -11.951 5.440 -31.709
50 HB2 LYS 8 HB2 LYS 8 -12.608 5.949 -29.316
51 HB3 LYS 8 HB3 LYS 8 -13.935 5.966 -30.479
52 HG2 LYS 8 HG2 LYS 8 -14.761 3.880 -29.752
53 HG3 LYS 8 HG3 LYS 8 -13.246 3.458 -28.953
54 HD2 LYS 8 HD2 LYS 8 -13.622 5.257 -27.298
55 HD3 LYS 8 HD3 LYS 8 -15.148 5.658 -28.088
56 HE2 LYS 8 HE2 LYS 8 -16.088 4.169 -26.665
57 HE3 LYS 8 HE3 LYS 8 -15.364 2.928 -27.688
58 HZ1 LYS 8 HZ1 LYS 8 -14.346 2.325 -25.803
59 HZ2 LYS 8 HZ2 LYS 8 -14.599 3.826 -25.049
60 HZ3 LYS 8 HZ3 LYS 8 -13.302 3.622 -26.126
61 HN1 NH2 9 HN1 NH2 9 -9.292 3.625 -31.026
62 HN2 NH2 9 HN2 NH2 9 -10.539 2.619 -31.587
63 H1 A2G 10 H1 A2G 10 -18.246 -1.563 -35.226
64 H2 A2G 10 H2 A2G 10 -18.229 -1.251 -37.663
65 HN2 A2G 10 HN2 A2G 10 -20.833 -0.473 -36.484
66 H3 A2G 10 H3 A2G 10 -20.852 -2.770 -37.626
67 HO3 A2G 10 HO3 A2G 10 -21.045 -1.983 -39.544
68 H4 A2G 10 H4 A2G 10 -19.655 -4.544 -38.776
69 HO4 A2G 10 HO4 A2G 10 -17.145 -3.611 -38.352
70 H5 A2G 10 H5 A2G 10 -19.615 -4.633 -36.323
71 H6 A2G 10 H6 A2G 10 -17.798 -6.143 -36.080
72 H8 A2G 10 H8 A2G 10 -20.953 1.895 -36.049
73 H8A A2G 10 H8A A2G 10 -21.313 1.939 -37.775
74 H8B A2G 10 H8B A2G 10 -20.007 2.928 -37.122
75 H14 A2G 10 H14 A2G 10 -18.209 -6.227 -37.793
76 H15 A2G 10 H15 A2G 10 -16.396 -5.270 -38.295
77 H1 A2G 11 H1 A2G 11 -17.138 1.154 -30.016
78 H2 A2G 11 H2 A2G 11 -15.059 0.003 -29.393
79 HN2 A2G 11 HN2 A2G 11 -16.673 -1.565 -31.318
80 H3 A2G 11 H3 A2G 11 -16.835 -2.399 -28.877
81 HO3 A2G 11 HO3 A2G 11 -14.207 -2.253 -28.035
82 H4 A2G 11 H4 A2G 11 -16.283 -2.102 -26.529
83 HO4 A2G 11 HO4 A2G 11 -14.876 -0.614 -25.865
84 H5 A2G 11 H5 A2G 11 -18.248 -0.872 -27.337
85 H6 A2G 11 H6 A2G 11 -17.066 -0.467 -24.979
86 H8 A2G 11 H8 A2G 11 -15.656 -2.172 -33.198
87 H8A A2G 11 H8A A2G 11 -13.984 -1.689 -33.479
88 H8B A2G 11 H8B A2G 11 -15.298 -0.576 -33.857
89 H14 A2G 11 H14 A2G 11 -16.860 1.158 -25.630
90 H15 A2G 11 H15 A2G 11 -18.829 1.381 -24.920
Start of MODEL 11
1 H1 ACE 1 H1 ACE 1 -21.888 -8.848 -34.998
2 H2 ACE 1 H2 ACE 1 -22.768 -7.942 -33.767
3 H3 ACE 1 H3 ACE 1 -21.010 -7.832 -33.856
4 HA PRO 2 HA PRO 2 -22.381 -5.805 -38.103
5 HB2 PRO 2 HB2 PRO 2 -25.212 -5.344 -37.842
6 HB3 PRO 2 HB3 PRO 2 -24.369 -6.319 -39.055
7 HG2 PRO 2 HG2 PRO 2 -25.785 -7.164 -36.646
8 HG3 PRO 2 HG3 PRO 2 -25.326 -8.102 -38.075
9 HD2 PRO 2 HD2 PRO 2 -24.130 -8.418 -35.631
10 HD3 PRO 2 HD3 PRO 2 -23.298 -8.740 -37.170
11 H THR 3 H THR 3 -24.513 -5.054 -35.338
12 HA THR 3 HA THR 3 -23.981 -2.196 -35.663
13 HB THR 3 HB THR 3 -26.252 -2.605 -35.191
14 HG1 THR 3 HG1 THR 3 -25.713 -1.006 -33.842
15 HG21 THR 3 HG21 THR 3 -26.424 -4.829 -34.543
16 HG22 THR 3 HG22 THR 3 -26.741 -4.013 -33.013
17 HG23 THR 3 HG23 THR 3 -25.143 -4.684 -33.340
18 H THR 4 H THR 4 -22.662 -1.029 -34.385
19 HA THR 4 HA THR 4 -21.644 -2.236 -31.901
20 HB THR 4 HB THR 4 -19.379 -1.078 -32.756
21 HG21 THR 4 HG21 THR 4 -18.658 -3.322 -33.486
22 HG22 THR 4 HG22 THR 4 -20.343 -3.832 -33.583
23 HG23 THR 4 HG23 THR 4 -19.635 -3.421 -32.021
24 H THR 5 H THR 5 -20.120 -0.473 -30.831
25 HA THR 5 HA THR 5 -21.765 1.952 -30.659
26 HB THR 5 HB THR 5 -19.965 2.251 -28.676
27 HG21 THR 5 HG21 THR 5 -21.644 1.348 -27.196
28 HG22 THR 5 HG22 THR 5 -22.311 0.346 -28.485
29 HG23 THR 5 HG23 THR 5 -22.484 2.100 -28.552
30 HA PRO 6 HA PRO 6 -19.181 4.763 -32.763
31 HB2 PRO 6 HB2 PRO 6 -18.662 6.484 -30.511
32 HB3 PRO 6 HB3 PRO 6 -19.803 6.734 -31.841
33 HG2 PRO 6 HG2 PRO 6 -20.294 5.792 -29.122
34 HG3 PRO 6 HG3 PRO 6 -21.424 6.461 -30.307
35 HD2 PRO 6 HD2 PRO 6 -21.408 3.820 -29.577
36 HD3 PRO 6 HD3 PRO 6 -21.950 4.385 -31.174
37 H LEU 7 H LEU 7 -17.512 3.024 -32.800
38 HA LEU 7 HA LEU 7 -14.999 4.004 -31.904
39 HB2 LEU 7 HB2 LEU 7 -16.290 2.707 -29.886
40 HB3 LEU 7 HB3 LEU 7 -15.412 1.372 -30.636
41 HG LEU 7 HG LEU 7 -13.399 3.072 -30.615
42 HD11 LEU 7 HD11 LEU 7 -15.174 4.101 -28.378
43 HD12 LEU 7 HD12 LEU 7 -14.735 4.990 -29.837
44 HD13 LEU 7 HD13 LEU 7 -13.497 4.575 -28.650
45 HD21 LEU 7 HD21 LEU 7 -14.525 1.366 -28.426
46 HD22 LEU 7 HD22 LEU 7 -13.112 2.357 -28.066
47 HD23 LEU 7 HD23 LEU 7 -13.041 1.156 -29.356
48 H LYS 8 H LYS 8 -13.226 2.380 -32.376
49 HA LYS 8 HA LYS 8 -13.879 0.180 -34.130
50 HB2 LYS 8 HB2 LYS 8 -14.020 2.376 -35.511
51 HB3 LYS 8 HB3 LYS 8 -12.261 2.381 -35.384
52 HG2 LYS 8 HG2 LYS 8 -12.180 0.112 -36.350
53 HG3 LYS 8 HG3 LYS 8 -13.940 0.102 -36.477
54 HD2 LYS 8 HD2 LYS 8 -13.960 1.694 -38.181
55 HD3 LYS 8 HD3 LYS 8 -12.384 2.345 -37.731
56 HE2 LYS 8 HE2 LYS 8 -12.530 0.863 -39.861
57 HE3 LYS 8 HE3 LYS 8 -11.223 0.550 -38.720
58 HZ1 LYS 8 HZ1 LYS 8 -13.622 -1.023 -39.278
59 HZ2 LYS 8 HZ2 LYS 8 -13.042 -1.018 -37.682
60 HZ3 LYS 8 HZ3 LYS 8 -12.040 -1.541 -38.952
61 HN1 NH2 9 HN1 NH2 9 -10.651 0.913 -32.043
62 HN2 NH2 9 HN2 NH2 9 -11.108 2.295 -32.918
63 H1 A2G 10 H1 A2G 10 -18.432 -0.272 -34.434
64 H2 A2G 10 H2 A2G 10 -18.128 0.049 -36.852
65 HN2 A2G 10 HN2 A2G 10 -20.892 0.647 -35.971
66 H3 A2G 10 H3 A2G 10 -20.620 -1.649 -37.140
67 HO3 A2G 10 HO3 A2G 10 -19.414 -1.408 -39.394
68 H4 A2G 10 H4 A2G 10 -19.166 -3.332 -38.120
69 HO4 A2G 10 HO4 A2G 10 -16.883 -1.925 -37.362
70 H5 A2G 10 H5 A2G 10 -19.432 -3.427 -35.682
71 H6 A2G 10 H6 A2G 10 -17.187 -4.493 -35.123
72 H8 A2G 10 H8 A2G 10 -20.909 3.184 -35.409
73 H8A A2G 10 H8A A2G 10 -21.583 2.894 -37.013
74 H8B A2G 10 H8B A2G 10 -20.290 4.074 -36.801
75 H14 A2G 10 H14 A2G 10 -17.974 -5.121 -36.570
76 H15 A2G 10 H15 A2G 10 -15.650 -4.488 -36.678
77 H1 A2G 11 H1 A2G 11 -18.087 1.336 -28.489
78 H2 A2G 11 H2 A2G 11 -16.724 -0.570 -27.748
79 HN2 A2G 11 HN2 A2G 11 -18.122 -1.100 -30.305
80 H3 A2G 11 H3 A2G 11 -19.216 -2.223 -28.238
81 HO3 A2G 11 HO3 A2G 11 -17.723 -3.679 -28.411
82 H4 A2G 11 H4 A2G 11 -19.291 -2.531 -25.828
83 HO4 A2G 11 HO4 A2G 11 -17.112 -0.725 -25.715
84 H5 A2G 11 H5 A2G 11 -20.473 -0.563 -26.700
85 H6 A2G 11 H6 A2G 11 -20.277 -0.959 -24.202
86 H8 A2G 11 H8 A2G 11 -16.936 -1.471 -32.069
87 H8A A2G 11 H8A A2G 11 -15.326 -2.127 -31.770
88 H8B A2G 11 H8B A2G 11 -15.528 -0.410 -32.117
89 H14 A2G 11 H14 A2G 11 -18.963 0.219 -24.190
90 H15 A2G 11 H15 A2G 11 -21.663 0.621 -24.934
Start of MODEL 12
1 H1 ACE 1 H1 ACE 1 -29.662 -5.118 -38.008
2 H2 ACE 1 H2 ACE 1 -29.958 -6.666 -37.216
3 H3 ACE 1 H3 ACE 1 -28.646 -6.510 -38.385
4 HA PRO 2 HA PRO 2 -27.419 -5.936 -33.727
5 HB2 PRO 2 HB2 PRO 2 -25.281 -7.771 -34.332
6 HB3 PRO 2 HB3 PRO 2 -26.624 -7.988 -33.199
7 HG2 PRO 2 HG2 PRO 2 -26.290 -9.023 -35.909
8 HG3 PRO 2 HG3 PRO 2 -27.373 -9.563 -34.618
9 HD2 PRO 2 HD2 PRO 2 -28.254 -8.271 -36.867
10 HD3 PRO 2 HD3 PRO 2 -29.094 -8.182 -35.302
11 H THR 3 H THR 3 -26.591 -3.891 -33.976
12 HA THR 3 HA THR 3 -24.314 -3.445 -35.756
13 HB THR 3 HB THR 3 -25.998 -1.741 -35.840
14 HG1 THR 3 HG1 THR 3 -24.549 -0.239 -35.760
15 HG21 THR 3 HG21 THR 3 -25.751 -1.782 -32.829
16 HG22 THR 3 HG22 THR 3 -27.190 -2.079 -33.803
17 HG23 THR 3 HG23 THR 3 -26.518 -0.452 -33.696
18 H THR 4 H THR 4 -22.402 -2.308 -34.961
19 HA THR 4 HA THR 4 -21.648 -3.278 -32.285
20 HB THR 4 HB THR 4 -19.310 -2.462 -33.305
21 HG21 THR 4 HG21 THR 4 -20.733 -5.023 -34.088
22 HG22 THR 4 HG22 THR 4 -19.865 -4.756 -32.576
23 HG23 THR 4 HG23 THR 4 -18.987 -4.772 -34.106
24 H THR 5 H THR 5 -19.655 -1.697 -31.530
25 HA THR 5 HA THR 5 -20.994 0.869 -31.056
26 HB THR 5 HB THR 5 -19.186 1.129 -29.307
27 HG21 THR 5 HG21 THR 5 -20.234 -0.400 -27.759
28 HG22 THR 5 HG22 THR 5 -20.783 -1.436 -29.077
29 HG23 THR 5 HG23 THR 5 -21.482 0.170 -28.867
30 HA PRO 6 HA PRO 6 -18.641 3.390 -33.735
31 HB2 PRO 6 HB2 PRO 6 -17.684 5.162 -31.675
32 HB3 PRO 6 HB3 PRO 6 -19.002 5.431 -32.825
33 HG2 PRO 6 HG2 PRO 6 -19.116 4.629 -30.020
34 HG3 PRO 6 HG3 PRO 6 -20.377 5.321 -31.050
35 HD2 PRO 6 HD2 PRO 6 -20.398 2.716 -30.204
36 HD3 PRO 6 HD3 PRO 6 -21.147 3.250 -31.727
37 H LEU 7 H LEU 7 -16.407 4.193 -34.123
38 HA LEU 7 HA LEU 7 -14.470 2.220 -33.444
39 HB2 LEU 7 HB2 LEU 7 -14.714 4.268 -35.349
40 HB3 LEU 7 HB3 LEU 7 -13.287 4.678 -34.396
41 HG LEU 7 HG LEU 7 -12.631 3.225 -36.246
42 HD11 LEU 7 HD11 LEU 7 -12.491 1.196 -34.134
43 HD12 LEU 7 HD12 LEU 7 -12.045 2.807 -33.570
44 HD13 LEU 7 HD13 LEU 7 -11.189 2.080 -34.930
45 HD21 LEU 7 HD21 LEU 7 -14.007 1.597 -36.975
46 HD22 LEU 7 HD22 LEU 7 -15.129 1.987 -35.671
47 HD23 LEU 7 HD23 LEU 7 -13.877 0.769 -35.423
48 H LYS 8 H LYS 8 -13.175 2.095 -31.728
49 HA LYS 8 HA LYS 8 -11.998 2.663 -29.838
50 HB2 LYS 8 HB2 LYS 8 -10.651 4.406 -30.239
51 HB3 LYS 8 HB3 LYS 8 -11.673 4.850 -31.607
52 HG2 LYS 8 HG2 LYS 8 -13.158 6.109 -30.060
53 HG3 LYS 8 HG3 LYS 8 -12.069 5.718 -28.729
54 HD2 LYS 8 HD2 LYS 8 -10.399 6.741 -30.733
55 HD3 LYS 8 HD3 LYS 8 -11.817 7.789 -30.751
56 HE2 LYS 8 HE2 LYS 8 -10.160 7.087 -28.311
57 HE3 LYS 8 HE3 LYS 8 -10.165 8.639 -29.148
58 HZ1 LYS 8 HZ1 LYS 8 -12.309 7.396 -27.547
59 HZ2 LYS 8 HZ2 LYS 8 -12.671 8.585 -28.706
60 HZ3 LYS 8 HZ3 LYS 8 -11.638 8.948 -27.406
61 HN1 NH2 9 HN1 NH2 9 -13.317 2.854 -27.525
62 HN2 NH2 9 HN2 NH2 9 -13.138 4.534 -27.364
63 H1 A2G 10 H1 A2G 10 -18.385 -1.754 -35.035
64 H2 A2G 10 H2 A2G 10 -18.210 -1.424 -37.465
65 HN2 A2G 10 HN2 A2G 10 -20.782 -0.462 -36.356
66 H3 A2G 10 H3 A2G 10 -20.933 -2.750 -37.590
67 HO3 A2G 10 HO3 A2G 10 -19.145 -1.806 -39.579
68 H4 A2G 10 H4 A2G 10 -19.805 -4.597 -38.695
69 HO4 A2G 10 HO4 A2G 10 -18.031 -4.048 -39.657
70 H5 A2G 10 H5 A2G 10 -19.907 -4.709 -36.245
71 H6 A2G 10 H6 A2G 10 -18.336 -6.416 -35.983
72 H8 A2G 10 H8 A2G 10 -21.075 1.711 -36.225
73 H8A A2G 10 H8A A2G 10 -20.810 2.238 -37.886
74 H8B A2G 10 H8B A2G 10 -19.726 2.782 -36.606
75 H14 A2G 10 H14 A2G 10 -18.439 -6.316 -37.741
76 H15 A2G 10 H15 A2G 10 -16.627 -4.655 -36.425
77 H1 A2G 11 H1 A2G 11 -17.132 0.870 -29.896
78 H2 A2G 11 H2 A2G 11 -15.104 -0.503 -29.696
79 HN2 A2G 11 HN2 A2G 11 -16.989 -1.514 -31.742
80 H3 A2G 11 H3 A2G 11 -17.011 -2.850 -29.501
81 HO3 A2G 11 HO3 A2G 11 -14.547 -3.408 -28.776
82 H4 A2G 11 H4 A2G 11 -16.261 -3.062 -27.199
83 HO4 A2G 11 HO4 A2G 11 -14.692 -1.839 -26.392
84 H5 A2G 11 H5 A2G 11 -18.184 -1.582 -27.573
85 H6 A2G 11 H6 A2G 11 -16.649 -1.658 -25.315
86 H8 A2G 11 H8 A2G 11 -15.966 -1.954 -33.824
87 H8A A2G 11 H8A A2G 11 -14.460 -1.112 -34.188
88 H8B A2G 11 H8B A2G 11 -15.965 -0.203 -34.043
89 H14 A2G 11 H14 A2G 11 -16.657 0.074 -25.649
90 H15 A2G 11 H15 A2G 11 -18.903 -1.634 -25.377
Start of MODEL 13
1 H1 ACE 1 H1 ACE 1 -29.674 -5.528 -36.913
2 H2 ACE 1 H2 ACE 1 -29.908 -6.053 -35.246
3 H3 ACE 1 H3 ACE 1 -29.362 -7.205 -36.464
4 HA PRO 2 HA PRO 2 -25.074 -6.600 -35.836
5 HB2 PRO 2 HB2 PRO 2 -24.445 -5.193 -38.268
6 HB3 PRO 2 HB3 PRO 2 -24.173 -6.900 -37.891
7 HG2 PRO 2 HG2 PRO 2 -26.293 -5.659 -39.468
8 HG3 PRO 2 HG3 PRO 2 -25.746 -7.341 -39.434
9 HD2 PRO 2 HD2 PRO 2 -28.148 -6.525 -38.397
10 HD3 PRO 2 HD3 PRO 2 -27.255 -7.937 -37.788
11 H THR 3 H THR 3 -24.559 -5.153 -34.292
12 HA THR 3 HA THR 3 -24.228 -2.350 -35.042
13 HB THR 3 HB THR 3 -25.780 -3.039 -32.549
14 HG1 THR 3 HG1 THR 3 -27.555 -2.188 -33.920
15 HG21 THR 3 HG21 THR 3 -26.087 -0.461 -33.956
16 HG22 THR 3 HG22 THR 3 -24.482 -0.753 -33.288
17 HG23 THR 3 HG23 THR 3 -25.896 -0.790 -32.234
18 H THR 4 H THR 4 -22.493 -1.437 -34.072
19 HA THR 4 HA THR 4 -21.375 -2.724 -31.676
20 HB THR 4 HB THR 4 -19.071 -2.215 -32.936
21 HG21 THR 4 HG21 THR 4 -19.068 -4.600 -33.599
22 HG22 THR 4 HG22 THR 4 -20.818 -4.653 -33.402
23 HG23 THR 4 HG23 THR 4 -19.781 -4.386 -32.001
24 H THR 5 H THR 5 -19.336 -1.331 -31.023
25 HA THR 5 HA THR 5 -20.321 1.419 -30.790
26 HB THR 5 HB THR 5 -18.232 1.397 -29.115
27 HG21 THR 5 HG21 THR 5 -20.561 1.867 -28.501
28 HG22 THR 5 HG22 THR 5 -19.868 0.719 -27.357
29 HG23 THR 5 HG23 THR 5 -20.955 0.152 -28.622
30 HA PRO 6 HA PRO 6 -17.519 3.417 -33.473
31 HB2 PRO 6 HB2 PRO 6 -16.291 5.106 -31.492
32 HB3 PRO 6 HB3 PRO 6 -17.532 5.533 -32.680
33 HG2 PRO 6 HG2 PRO 6 -17.807 4.946 -29.841
34 HG3 PRO 6 HG3 PRO 6 -18.934 5.749 -30.942
35 HD2 PRO 6 HD2 PRO 6 -19.340 3.232 -29.911
36 HD3 PRO 6 HD3 PRO 6 -20.038 3.791 -31.446
37 H LEU 7 H LEU 7 -15.658 2.618 -34.258
38 HA LEU 7 HA LEU 7 -13.891 1.035 -32.684
39 HB2 LEU 7 HB2 LEU 7 -12.511 0.944 -34.724
40 HB3 LEU 7 HB3 LEU 7 -14.210 0.635 -35.085
41 HG LEU 7 HG LEU 7 -13.003 3.398 -35.291
42 HD11 LEU 7 HD11 LEU 7 -13.351 2.498 -37.877
43 HD12 LEU 7 HD12 LEU 7 -12.696 1.076 -37.065
44 HD13 LEU 7 HD13 LEU 7 -11.803 2.596 -37.040
45 HD21 LEU 7 HD21 LEU 7 -15.261 3.755 -35.431
46 HD22 LEU 7 HD22 LEU 7 -15.599 2.085 -35.887
47 HD23 LEU 7 HD23 LEU 7 -15.025 3.231 -37.099
48 H LYS 8 H LYS 8 -14.140 3.586 -31.507
49 HA LYS 8 HA LYS 8 -11.347 4.286 -31.274
50 HB2 LYS 8 HB2 LYS 8 -11.786 6.725 -31.773
51 HB3 LYS 8 HB3 LYS 8 -11.807 5.663 -33.181
52 HG2 LYS 8 HG2 LYS 8 -14.216 5.621 -33.209
53 HG3 LYS 8 HG3 LYS 8 -14.302 6.452 -31.655
54 HD2 LYS 8 HD2 LYS 8 -12.786 7.813 -33.828
55 HD3 LYS 8 HD3 LYS 8 -14.542 7.762 -33.988
56 HE2 LYS 8 HE2 LYS 8 -13.198 8.634 -31.426
57 HE3 LYS 8 HE3 LYS 8 -13.566 9.773 -32.722
58 HZ1 LYS 8 HZ1 LYS 8 -15.370 9.747 -31.176
59 HZ2 LYS 8 HZ2 LYS 8 -15.496 8.054 -31.263
60 HZ3 LYS 8 HZ3 LYS 8 -15.894 9.009 -32.611
61 HN1 NH2 9 HN1 NH2 9 -12.376 6.827 -29.019
62 HN2 NH2 9 HN2 NH2 9 -11.155 5.650 -28.960
63 H1 A2G 10 H1 A2G 10 -18.216 -1.792 -34.870
64 H2 A2G 10 H2 A2G 10 -18.292 -1.683 -37.317
65 HN2 A2G 10 HN2 A2G 10 -20.585 -0.300 -36.051
66 H3 A2G 10 H3 A2G 10 -21.148 -2.644 -37.013
67 HO3 A2G 10 HO3 A2G 10 -19.697 -2.445 -39.402
68 H4 A2G 10 H4 A2G 10 -20.390 -4.691 -38.085
69 HO4 A2G 10 HO4 A2G 10 -18.611 -3.395 -39.150
70 H5 A2G 10 H5 A2G 10 -20.184 -4.668 -35.647
71 H6 A2G 10 H6 A2G 10 -18.614 -6.433 -35.408
72 H8 A2G 10 H8 A2G 10 -20.249 1.981 -35.810
73 H8A A2G 10 H8A A2G 10 -20.593 2.191 -37.526
74 H8B A2G 10 H8B A2G 10 -19.073 2.779 -36.852
75 H14 A2G 10 H14 A2G 10 -19.154 -6.544 -37.082
76 H15 A2G 10 H15 A2G 10 -16.940 -4.953 -36.427
77 H1 A2G 11 H1 A2G 11 -16.766 0.157 -28.287
78 H2 A2G 11 H2 A2G 11 -15.795 -2.036 -27.721
79 HN2 A2G 11 HN2 A2G 11 -16.652 -1.817 -30.548
80 H3 A2G 11 H3 A2G 11 -18.291 -3.144 -29.029
81 HO3 A2G 11 HO3 A2G 11 -16.864 -4.882 -27.614
82 H4 A2G 11 H4 A2G 11 -18.911 -3.922 -26.816
83 HO4 A2G 11 HO4 A2G 11 -16.649 -4.130 -26.166
84 H5 A2G 11 H5 A2G 11 -19.664 -1.649 -27.309
85 H6 A2G 11 H6 A2G 11 -19.597 -2.697 -24.854
86 H8 A2G 11 H8 A2G 11 -15.084 -2.097 -32.109
87 H8A A2G 11 H8A A2G 11 -13.433 -2.491 -31.629
88 H8B A2G 11 H8B A2G 11 -13.988 -0.818 -31.588
89 H14 A2G 11 H14 A2G 11 -18.540 -1.316 -24.559
90 H15 A2G 11 H15 A2G 11 -20.877 -0.847 -25.984
Start of MODEL 14
1 H1 ACE 1 H1 ACE 1 -27.571 -6.615 -38.465
2 H2 ACE 1 H2 ACE 1 -28.832 -6.506 -37.237
3 H3 ACE 1 H3 ACE 1 -28.015 -8.042 -37.529
4 HA PRO 2 HA PRO 2 -24.857 -7.506 -34.546
5 HB2 PRO 2 HB2 PRO 2 -22.624 -7.091 -36.317
6 HB3 PRO 2 HB3 PRO 2 -23.072 -8.566 -35.448
7 HG2 PRO 2 HG2 PRO 2 -23.520 -7.843 -38.241
8 HG3 PRO 2 HG3 PRO 2 -23.552 -9.433 -37.467
9 HD2 PRO 2 HD2 PRO 2 -25.804 -8.167 -38.377
10 HD3 PRO 2 HD3 PRO 2 -25.816 -9.319 -37.021
11 H THR 3 H THR 3 -25.306 -5.545 -33.586
12 HA THR 3 HA THR 3 -24.474 -3.065 -34.891
13 HB THR 3 HB THR 3 -26.684 -3.384 -33.615
14 HG1 THR 3 HG1 THR 3 -25.170 -1.354 -34.014
15 HG21 THR 3 HG21 THR 3 -25.322 -4.448 -31.656
16 HG22 THR 3 HG22 THR 3 -26.665 -3.371 -31.273
17 HG23 THR 3 HG23 THR 3 -25.006 -2.775 -31.194
18 H THR 4 H THR 4 -22.984 -1.614 -33.993
19 HA THR 4 HA THR 4 -21.356 -2.592 -31.743
20 HB THR 4 HB THR 4 -19.380 -1.608 -33.248
21 HG21 THR 4 HG21 THR 4 -18.909 -3.925 -33.956
22 HG22 THR 4 HG22 THR 4 -20.574 -4.377 -33.584
23 HG23 THR 4 HG23 THR 4 -19.484 -3.881 -32.289
24 H THR 5 H THR 5 -19.601 -0.767 -31.304
25 HA THR 5 HA THR 5 -21.147 1.704 -30.963
26 HB THR 5 HB THR 5 -18.912 2.171 -29.549
27 HG21 THR 5 HG21 THR 5 -20.111 1.274 -27.597
28 HG22 THR 5 HG22 THR 5 -21.162 0.340 -28.662
29 HG23 THR 5 HG23 THR 5 -21.231 2.103 -28.679
30 HA PRO 6 HA PRO 6 -19.188 4.244 -33.923
31 HB2 PRO 6 HB2 PRO 6 -18.059 6.126 -32.056
32 HB3 PRO 6 HB3 PRO 6 -19.513 6.307 -33.050
33 HG2 PRO 6 HG2 PRO 6 -19.264 5.613 -30.224
34 HG3 PRO 6 HG3 PRO 6 -20.663 6.223 -31.120
35 HD2 PRO 6 HD2 PRO 6 -20.491 3.654 -30.186
36 HD3 PRO 6 HD3 PRO 6 -21.432 4.104 -31.627
37 H LEU 7 H LEU 7 -17.509 2.999 -34.719
38 HA LEU 7 HA LEU 7 -15.402 1.951 -34.707
39 HB2 LEU 7 HB2 LEU 7 -15.396 4.372 -35.738
40 HB3 LEU 7 HB3 LEU 7 -14.379 4.742 -34.344
41 HG LEU 7 HG LEU 7 -13.138 2.513 -35.098
42 HD11 LEU 7 HD11 LEU 7 -13.291 1.980 -37.365
43 HD12 LEU 7 HD12 LEU 7 -13.931 3.565 -37.798
44 HD13 LEU 7 HD13 LEU 7 -14.966 2.386 -36.991
45 HD21 LEU 7 HD21 LEU 7 -11.961 4.591 -34.961
46 HD22 LEU 7 HD22 LEU 7 -12.877 5.279 -36.301
47 HD23 LEU 7 HD23 LEU 7 -11.697 4.003 -36.602
48 H LYS 8 H LYS 8 -13.090 3.520 -33.531
49 HA LYS 8 HA LYS 8 -13.035 2.127 -30.999
50 HB2 LYS 8 HB2 LYS 8 -11.002 2.201 -32.302
51 HB3 LYS 8 HB3 LYS 8 -11.048 3.963 -32.355
52 HG2 LYS 8 HG2 LYS 8 -10.330 4.186 -30.183
53 HG3 LYS 8 HG3 LYS 8 -11.113 2.694 -29.661
54 HD2 LYS 8 HD2 LYS 8 -9.392 1.365 -30.794
55 HD3 LYS 8 HD3 LYS 8 -8.621 2.838 -31.383
56 HE2 LYS 8 HE2 LYS 8 -7.546 1.867 -29.316
57 HE3 LYS 8 HE3 LYS 8 -8.078 3.538 -29.138
58 HZ1 LYS 8 HZ1 LYS 8 -10.126 2.717 -28.117
59 HZ2 LYS 8 HZ2 LYS 8 -8.751 2.240 -27.239
60 HZ3 LYS 8 HZ3 LYS 8 -9.554 1.124 -28.238
61 HN1 NH2 9 HN1 NH2 9 -14.145 3.058 -29.274
62 HN2 NH2 9 HN2 NH2 9 -14.104 4.708 -28.880
63 H1 A2G 10 H1 A2G 10 -18.878 -0.961 -35.170
64 H2 A2G 10 H2 A2G 10 -19.195 -0.826 -37.603
65 HN2 A2G 10 HN2 A2G 10 -21.612 -0.056 -36.077
66 H3 A2G 10 H3 A2G 10 -21.710 -2.447 -37.116
67 HO3 A2G 10 HO3 A2G 10 -21.034 -0.775 -39.007
68 H4 A2G 10 H4 A2G 10 -20.584 -4.249 -38.295
69 HO4 A2G 10 HO4 A2G 10 -18.531 -4.003 -39.063
70 H5 A2G 10 H5 A2G 10 -20.220 -4.158 -35.868
71 H6 A2G 10 H6 A2G 10 -18.207 -5.489 -35.759
72 H8 A2G 10 H8 A2G 10 -21.875 2.272 -35.898
73 H8A A2G 10 H8A A2G 10 -22.477 2.227 -37.555
74 H8B A2G 10 H8B A2G 10 -21.128 3.285 -37.135
75 H14 A2G 10 H14 A2G 10 -18.990 -5.851 -37.297
76 H15 A2G 10 H15 A2G 10 -17.529 -3.887 -37.918
77 H1 A2G 11 H1 A2G 11 -17.132 1.294 -28.908
78 H2 A2G 11 H2 A2G 11 -15.717 -0.617 -28.288
79 HN2 A2G 11 HN2 A2G 11 -16.832 -0.841 -31.022
80 H3 A2G 11 H3 A2G 11 -18.033 -2.323 -29.242
81 HO3 A2G 11 HO3 A2G 11 -15.778 -3.037 -29.485
82 H4 A2G 11 H4 A2G 11 -18.311 -2.962 -26.913
83 HO4 A2G 11 HO4 A2G 11 -16.001 -1.395 -26.634
84 H5 A2G 11 H5 A2G 11 -19.539 -0.963 -27.635
85 H6 A2G 11 H6 A2G 11 -20.106 -1.242 -25.420
86 H8 A2G 11 H8 A2G 11 -15.393 -0.168 -32.652
87 H8A A2G 11 H8A A2G 11 -14.405 -1.624 -32.522
88 H8B A2G 11 H8B A2G 11 -13.672 -0.037 -32.288
89 H14 A2G 11 H14 A2G 11 -18.428 -1.185 -24.878
90 H15 A2G 11 H15 A2G 11 -18.442 1.033 -25.153
Start of MODEL 15
1 H1 ACE 1 H1 ACE 1 -22.374 -8.325 -38.894
2 H2 ACE 1 H2 ACE 1 -23.800 -7.963 -39.867
3 H3 ACE 1 H3 ACE 1 -23.808 -9.345 -38.771
4 HA PRO 2 HA PRO 2 -25.461 -7.226 -35.316
5 HB2 PRO 2 HB2 PRO 2 -23.111 -7.179 -33.651
6 HB3 PRO 2 HB3 PRO 2 -24.507 -8.261 -33.543
7 HG2 PRO 2 HG2 PRO 2 -21.870 -8.737 -34.700
8 HG3 PRO 2 HG3 PRO 2 -23.104 -9.895 -34.187
9 HD2 PRO 2 HD2 PRO 2 -22.483 -9.438 -36.815
10 HD3 PRO 2 HD3 PRO 2 -24.091 -9.971 -36.275
11 H THR 3 H THR 3 -25.203 -5.249 -33.922
12 HA THR 3 HA THR 3 -23.927 -3.131 -35.483
13 HB THR 3 HB THR 3 -25.196 -1.618 -33.974
14 HG1 THR 3 HG1 THR 3 -25.919 -2.412 -32.192
15 HG21 THR 3 HG21 THR 3 -26.234 -3.494 -35.883
16 HG22 THR 3 HG22 THR 3 -26.780 -1.851 -35.548
17 HG23 THR 3 HG23 THR 3 -27.452 -3.206 -34.640
18 H THR 4 H THR 4 -22.779 -1.385 -34.300
19 HA THR 4 HA THR 4 -21.390 -2.311 -31.875
20 HB THR 4 HB THR 4 -19.222 -1.578 -32.829
21 HG21 THR 4 HG21 THR 4 -20.319 -3.965 -33.104
22 HG22 THR 4 HG22 THR 4 -18.826 -3.573 -33.958
23 HG23 THR 4 HG23 THR 4 -20.370 -3.515 -34.809
24 H THR 5 H THR 5 -19.981 -0.461 -30.997
25 HA THR 5 HA THR 5 -21.646 1.954 -30.984
26 HB THR 5 HB THR 5 -19.803 2.431 -29.077
27 HG21 THR 5 HG21 THR 5 -21.444 1.708 -27.499
28 HG22 THR 5 HG22 THR 5 -22.079 0.497 -28.612
29 HG23 THR 5 HG23 THR 5 -22.346 2.210 -28.929
30 HA PRO 6 HA PRO 6 -19.143 4.616 -33.367
31 HB2 PRO 6 HB2 PRO 6 -18.595 6.513 -31.270
32 HB3 PRO 6 HB3 PRO 6 -19.767 6.648 -32.589
33 HG2 PRO 6 HG2 PRO 6 -20.187 5.917 -29.793
34 HG3 PRO 6 HG3 PRO 6 -21.350 6.480 -31.001
35 HD2 PRO 6 HD2 PRO 6 -21.291 3.906 -30.068
36 HD3 PRO 6 HD3 PRO 6 -21.872 4.338 -31.692
37 H LEU 7 H LEU 7 -17.461 2.880 -33.288
38 HA LEU 7 HA LEU 7 -14.936 3.948 -32.535
39 HB2 LEU 7 HB2 LEU 7 -16.118 2.908 -30.362
40 HB3 LEU 7 HB3 LEU 7 -15.413 1.433 -31.024
41 HG LEU 7 HG LEU 7 -13.274 2.981 -31.298
42 HD11 LEU 7 HD11 LEU 7 -13.093 4.628 -29.511
43 HD12 LEU 7 HD12 LEU 7 -14.706 4.219 -28.928
44 HD13 LEU 7 HD13 LEU 7 -14.508 5.004 -30.494
45 HD21 LEU 7 HD21 LEU 7 -12.542 2.212 -29.044
46 HD22 LEU 7 HD22 LEU 7 -13.362 0.937 -29.946
47 HD23 LEU 7 HD23 LEU 7 -14.215 1.800 -28.665
48 H LYS 8 H LYS 8 -13.542 1.497 -32.254
49 HA LYS 8 HA LYS 8 -14.267 -0.259 -34.429
50 HB2 LYS 8 HB2 LYS 8 -13.101 1.911 -35.375
51 HB3 LYS 8 HB3 LYS 8 -11.634 1.109 -34.813
52 HG2 LYS 8 HG2 LYS 8 -12.709 -0.981 -36.050
53 HG3 LYS 8 HG3 LYS 8 -13.546 0.277 -36.961
54 HD2 LYS 8 HD2 LYS 8 -11.263 1.358 -37.319
55 HD3 LYS 8 HD3 LYS 8 -10.562 -0.134 -36.690
56 HE2 LYS 8 HE2 LYS 8 -11.760 -1.419 -38.442
57 HE3 LYS 8 HE3 LYS 8 -12.405 0.089 -39.089
58 HZ1 LYS 8 HZ1 LYS 8 -10.427 0.665 -39.969
59 HZ2 LYS 8 HZ2 LYS 8 -10.154 -1.011 -39.947
60 HZ3 LYS 8 HZ3 LYS 8 -9.523 -0.028 -38.713
61 HN1 NH2 9 HN1 NH2 9 -12.693 -2.354 -34.257
62 HN2 NH2 9 HN2 NH2 9 -11.111 -1.876 -33.870
63 H1 A2G 10 H1 A2G 10 -18.850 0.343 -33.791
64 H2 A2G 10 H2 A2G 10 -18.336 1.451 -35.923
65 HN2 A2G 10 HN2 A2G 10 -21.244 1.034 -35.546
66 H3 A2G 10 H3 A2G 10 -20.133 -0.650 -37.164
67 HO3 A2G 10 HO3 A2G 10 -19.935 1.594 -38.019
68 H4 A2G 10 H4 A2G 10 -18.119 -1.530 -38.200
69 HO4 A2G 10 HO4 A2G 10 -16.397 -0.359 -38.287
70 H5 A2G 10 H5 A2G 10 -18.668 -2.427 -35.983
71 H6 A2G 10 H6 A2G 10 -16.311 -3.022 -35.246
72 H8 A2G 10 H8 A2G 10 -22.095 3.166 -34.339
73 H8A A2G 10 H8A A2G 10 -22.437 3.260 -36.066
74 H8B A2G 10 H8B A2G 10 -21.594 4.583 -35.260
75 H14 A2G 10 H14 A2G 10 -16.653 -3.334 -36.947
76 H15 A2G 10 H15 A2G 10 -15.691 -1.303 -37.415
77 H1 A2G 11 H1 A2G 11 -17.971 1.551 -28.545
78 H2 A2G 11 H2 A2G 11 -16.695 -0.311 -27.572
79 HN2 A2G 11 HN2 A2G 11 -17.733 -0.909 -30.280
80 H3 A2G 11 H3 A2G 11 -19.079 -2.018 -28.338
81 HO3 A2G 11 HO3 A2G 11 -17.880 -3.643 -27.462
82 H4 A2G 11 H4 A2G 11 -19.470 -2.259 -25.952
83 HO4 A2G 11 HO4 A2G 11 -18.141 -1.384 -24.479
84 H5 A2G 11 H5 A2G 11 -20.551 -0.337 -27.033
85 H6 A2G 11 H6 A2G 11 -20.955 -0.522 -24.655
86 H8 A2G 11 H8 A2G 11 -16.259 -0.948 -31.932
87 H8A A2G 11 H8A A2G 11 -15.179 -2.218 -31.355
88 H8B A2G 11 H8B A2G 11 -14.567 -0.581 -31.596
89 H14 A2G 11 H14 A2G 11 -19.399 0.220 -24.282
90 H15 A2G 11 H15 A2G 11 -20.231 2.082 -25.489
Start of MODEL 16
1 H1 ACE 1 H1 ACE 1 -25.770 -6.455 -30.706
2 H2 ACE 1 H2 ACE 1 -26.772 -7.624 -31.567
3 H3 ACE 1 H3 ACE 1 -27.174 -5.908 -31.623
4 HA PRO 2 HA PRO 2 -24.494 -7.577 -35.304
5 HB2 PRO 2 HB2 PRO 2 -26.390 -6.194 -36.974
6 HB3 PRO 2 HB3 PRO 2 -26.061 -7.931 -36.898
7 HG2 PRO 2 HG2 PRO 2 -28.236 -6.396 -35.700
8 HG3 PRO 2 HG3 PRO 2 -28.118 -8.134 -36.013
9 HD2 PRO 2 HD2 PRO 2 -28.025 -7.057 -33.496
10 HD3 PRO 2 HD3 PRO 2 -27.221 -8.583 -33.932
11 H THR 3 H THR 3 -25.751 -4.648 -34.010
12 HA THR 3 HA THR 3 -24.147 -2.940 -35.759
13 HB THR 3 HB THR 3 -26.089 -1.791 -35.345
14 HG1 THR 3 HG1 THR 3 -24.579 -0.423 -34.520
15 HG21 THR 3 HG21 THR 3 -26.093 -3.141 -32.635
16 HG22 THR 3 HG22 THR 3 -27.172 -3.463 -33.992
17 HG23 THR 3 HG23 THR 3 -27.282 -1.933 -33.121
18 H THR 4 H THR 4 -22.285 -1.941 -35.172
19 HA THR 4 HA THR 4 -21.121 -2.738 -32.588
20 HB THR 4 HB THR 4 -19.054 -1.609 -33.907
21 HG21 THR 4 HG21 THR 4 -19.133 -3.899 -32.996
22 HG22 THR 4 HG22 THR 4 -18.465 -3.897 -34.628
23 HG23 THR 4 HG23 THR 4 -20.131 -4.409 -34.358
24 H THR 5 H THR 5 -19.395 -0.965 -31.885
25 HA THR 5 HA THR 5 -20.958 1.483 -31.464
26 HB THR 5 HB THR 5 -18.819 1.823 -29.871
27 HG21 THR 5 HG21 THR 5 -20.159 0.814 -28.077
28 HG22 THR 5 HG22 THR 5 -21.135 -0.040 -29.272
29 HG23 THR 5 HG23 THR 5 -21.198 1.721 -29.177
30 HA PRO 6 HA PRO 6 -18.801 4.219 -34.093
31 HB2 PRO 6 HB2 PRO 6 -17.827 5.968 -32.022
32 HB3 PRO 6 HB3 PRO 6 -19.204 6.216 -33.107
33 HG2 PRO 6 HG2 PRO 6 -19.162 5.328 -30.325
34 HG3 PRO 6 HG3 PRO 6 -20.494 5.998 -31.279
35 HD2 PRO 6 HD2 PRO 6 -20.373 3.369 -30.514
36 HD3 PRO 6 HD3 PRO 6 -21.209 3.916 -31.985
37 H LEU 7 H LEU 7 -17.086 2.917 -34.786
38 HA LEU 7 HA LEU 7 -14.980 1.876 -34.646
39 HB2 LEU 7 HB2 LEU 7 -14.906 4.257 -35.715
40 HB3 LEU 7 HB3 LEU 7 -14.042 4.699 -34.242
41 HG LEU 7 HG LEU 7 -12.697 2.454 -34.838
42 HD11 LEU 7 HD11 LEU 7 -12.433 2.161 -37.211
43 HD12 LEU 7 HD12 LEU 7 -13.408 3.591 -37.555
44 HD13 LEU 7 HD13 LEU 7 -14.166 2.146 -36.886
45 HD21 LEU 7 HD21 LEU 7 -11.692 4.666 -34.507
46 HD22 LEU 7 HD22 LEU 7 -12.256 5.181 -36.097
47 HD23 LEU 7 HD23 LEU 7 -11.027 3.923 -35.962
48 H LYS 8 H LYS 8 -12.754 3.473 -33.336
49 HA LYS 8 HA LYS 8 -11.507 3.125 -31.421
50 HB2 LYS 8 HB2 LYS 8 -12.682 5.083 -30.713
51 HB3 LYS 8 HB3 LYS 8 -14.143 4.158 -30.367
52 HG2 LYS 8 HG2 LYS 8 -13.325 3.344 -28.382
53 HG3 LYS 8 HG3 LYS 8 -11.660 3.305 -28.964
54 HD2 LYS 8 HD2 LYS 8 -11.510 5.745 -28.775
55 HD3 LYS 8 HD3 LYS 8 -13.193 5.822 -28.251
56 HE2 LYS 8 HE2 LYS 8 -12.603 4.374 -26.299
57 HE3 LYS 8 HE3 LYS 8 -10.912 4.455 -26.794
58 HZ1 LYS 8 HZ1 LYS 8 -11.043 6.175 -25.308
59 HZ2 LYS 8 HZ2 LYS 8 -12.641 6.577 -25.724
60 HZ3 LYS 8 HZ3 LYS 8 -11.359 6.996 -26.758
61 HN1 NH2 9 HN1 NH2 9 -11.776 0.501 -31.828
62 HN2 NH2 9 HN2 NH2 9 -11.800 0.026 -30.199
63 H1 A2G 10 H1 A2G 10 -18.442 -0.927 -35.783
64 H2 A2G 10 H2 A2G 10 -18.616 -0.747 -38.229
65 HN2 A2G 10 HN2 A2G 10 -21.153 -0.061 -36.864
66 H3 A2G 10 H3 A2G 10 -21.129 -2.414 -37.928
67 HO3 A2G 10 HO3 A2G 10 -19.741 -1.586 -40.249
68 H4 A2G 10 H4 A2G 10 -19.911 -4.186 -39.054
69 HO4 A2G 10 HO4 A2G 10 -18.567 -2.881 -40.317
70 H5 A2G 10 H5 A2G 10 -19.661 -4.141 -36.616
71 H6 A2G 10 H6 A2G 10 -17.792 -5.557 -36.473
72 H8 A2G 10 H8 A2G 10 -21.499 2.168 -36.582
73 H8A A2G 10 H8A A2G 10 -21.798 2.450 -38.297
74 H8B A2G 10 H8B A2G 10 -20.506 3.321 -37.472
75 H14 A2G 10 H14 A2G 10 -18.214 -5.661 -38.183
76 H15 A2G 10 H15 A2G 10 -16.675 -3.600 -38.034
77 H1 A2G 11 H1 A2G 11 -17.086 0.879 -29.198
78 H2 A2G 11 H2 A2G 11 -15.731 -1.090 -28.625
79 HN2 A2G 11 HN2 A2G 11 -16.680 -1.114 -31.429
80 H3 A2G 11 H3 A2G 11 -17.995 -2.700 -29.838
81 HO3 A2G 11 HO3 A2G 11 -15.396 -3.188 -29.064
82 H4 A2G 11 H4 A2G 11 -18.449 -3.482 -27.586
83 HO4 A2G 11 HO4 A2G 11 -16.852 -3.396 -26.253
84 H5 A2G 11 H5 A2G 11 -19.598 -1.411 -28.219
85 H6 A2G 11 H6 A2G 11 -19.490 -2.347 -25.746
86 H8 A2G 11 H8 A2G 11 -15.156 -1.255 -33.014
87 H8A A2G 11 H8A A2G 11 -13.473 -1.536 -32.571
88 H8B A2G 11 H8B A2G 11 -14.106 0.108 -32.627
89 H14 A2G 11 H14 A2G 11 -18.619 -0.844 -25.439
90 H15 A2G 11 H15 A2G 11 -20.382 0.282 -26.326
Start of MODEL 17
1 H1 ACE 1 H1 ACE 1 -29.655 -7.699 -34.345
2 H2 ACE 1 H2 ACE 1 -29.081 -8.901 -35.501
3 H3 ACE 1 H3 ACE 1 -29.556 -7.296 -36.058
4 HA PRO 2 HA PRO 2 -24.974 -7.270 -35.339
5 HB2 PRO 2 HB2 PRO 2 -24.650 -6.173 -37.985
6 HB3 PRO 2 HB3 PRO 2 -24.136 -7.757 -37.385
7 HG2 PRO 2 HG2 PRO 2 -26.131 -7.315 -39.244
8 HG3 PRO 2 HG3 PRO 2 -25.906 -8.796 -38.303
9 HD2 PRO 2 HD2 PRO 2 -27.880 -6.597 -37.909
10 HD3 PRO 2 HD3 PRO 2 -28.022 -8.327 -37.525
11 H THR 3 H THR 3 -24.858 -5.560 -33.940
12 HA THR 3 HA THR 3 -24.680 -2.891 -35.120
13 HB THR 3 HB THR 3 -26.777 -2.382 -34.441
14 HG1 THR 3 HG1 THR 3 -26.622 -1.378 -32.593
15 HG21 THR 3 HG21 THR 3 -27.963 -3.778 -32.668
16 HG22 THR 3 HG22 THR 3 -26.543 -4.824 -32.677
17 HG23 THR 3 HG23 THR 3 -27.508 -4.635 -34.141
18 H THR 4 H THR 4 -22.610 -2.499 -34.576
19 HA THR 4 HA THR 4 -21.719 -3.113 -31.836
20 HB THR 4 HB THR 4 -19.430 -2.540 -32.848
21 HG21 THR 4 HG21 THR 4 -19.154 -4.757 -33.646
22 HG22 THR 4 HG22 THR 4 -20.825 -4.848 -34.204
23 HG23 THR 4 HG23 THR 4 -20.469 -4.868 -32.477
24 H THR 5 H THR 5 -19.734 -1.351 -31.429
25 HA THR 5 HA THR 5 -21.196 1.175 -31.135
26 HB THR 5 HB THR 5 -18.750 1.442 -29.840
27 HG21 THR 5 HG21 THR 5 -21.506 0.592 -28.945
28 HG22 THR 5 HG22 THR 5 -20.755 2.183 -28.809
29 HG23 THR 5 HG23 THR 5 -20.197 0.854 -27.792
30 HA PRO 6 HA PRO 6 -18.715 3.374 -34.014
31 HB2 PRO 6 HB2 PRO 6 -18.293 5.692 -32.354
32 HB3 PRO 6 HB3 PRO 6 -19.494 5.465 -33.634
33 HG2 PRO 6 HG2 PRO 6 -20.044 5.685 -30.937
34 HG3 PRO 6 HG3 PRO 6 -21.133 5.017 -32.160
35 HD2 PRO 6 HD2 PRO 6 -19.452 3.588 -30.153
36 HD3 PRO 6 HD3 PRO 6 -21.006 3.111 -30.874
37 H LEU 7 H LEU 7 -16.613 3.442 -34.628
38 HA LEU 7 HA LEU 7 -14.555 2.630 -32.834
39 HB2 LEU 7 HB2 LEU 7 -14.595 2.163 -35.302
40 HB3 LEU 7 HB3 LEU 7 -14.224 3.865 -35.575
41 HG LEU 7 HG LEU 7 -12.191 3.582 -34.118
42 HD11 LEU 7 HD11 LEU 7 -12.416 1.722 -32.789
43 HD12 LEU 7 HD12 LEU 7 -11.584 0.957 -34.144
44 HD13 LEU 7 HD13 LEU 7 -13.337 0.836 -34.004
45 HD21 LEU 7 HD21 LEU 7 -10.885 2.390 -35.843
46 HD22 LEU 7 HD22 LEU 7 -12.046 3.491 -36.585
47 HD23 LEU 7 HD23 LEU 7 -12.378 1.759 -36.540
48 H LYS 8 H LYS 8 -12.853 3.788 -31.960
49 HA LYS 8 HA LYS 8 -13.383 6.579 -31.430
50 HB2 LYS 8 HB2 LYS 8 -11.695 6.436 -29.808
51 HB3 LYS 8 HB3 LYS 8 -12.388 4.814 -29.814
52 HG2 LYS 8 HG2 LYS 8 -10.573 4.296 -31.608
53 HG3 LYS 8 HG3 LYS 8 -9.785 5.752 -31.001
54 HD2 LYS 8 HD2 LYS 8 -9.955 4.773 -28.680
55 HD3 LYS 8 HD3 LYS 8 -10.507 3.271 -29.422
56 HE2 LYS 8 HE2 LYS 8 -8.264 2.798 -29.410
57 HE3 LYS 8 HE3 LYS 8 -8.305 3.713 -30.916
58 HZ1 LYS 8 HZ1 LYS 8 -8.003 5.713 -29.279
59 HZ2 LYS 8 HZ2 LYS 8 -6.663 4.810 -29.807
60 HZ3 LYS 8 HZ3 LYS 8 -7.335 4.522 -28.273
61 HN1 NH2 9 HN1 NH2 9 -10.494 5.894 -34.176
62 HN2 NH2 9 HN2 NH2 9 -12.113 5.388 -34.265
63 H1 A2G 10 H1 A2G 10 -18.752 -1.147 -34.275
64 H2 A2G 10 H2 A2G 10 -18.339 -0.537 -36.620
65 HN2 A2G 10 HN2 A2G 10 -21.189 -0.320 -35.849
66 H3 A2G 10 H3 A2G 10 -20.615 -2.432 -37.260
67 HO3 A2G 10 HO3 A2G 10 -19.853 -0.366 -38.507
68 H4 A2G 10 H4 A2G 10 -18.943 -3.861 -38.283
69 HO4 A2G 10 HO4 A2G 10 -17.413 -2.498 -38.989
70 H5 A2G 10 H5 A2G 10 -19.310 -4.243 -35.890
71 H6 A2G 10 H6 A2G 10 -17.254 -5.384 -35.386
72 H8 A2G 10 H8 A2G 10 -21.790 1.861 -35.275
73 H8A A2G 10 H8A A2G 10 -21.900 2.218 -36.999
74 H8B A2G 10 H8B A2G 10 -20.859 3.193 -35.961
75 H14 A2G 10 H14 A2G 10 -17.447 -5.450 -37.137
76 H15 A2G 10 H15 A2G 10 -15.345 -4.686 -36.065
77 H1 A2G 11 H1 A2G 11 -17.555 0.429 -28.594
78 H2 A2G 11 H2 A2G 11 -16.169 -1.581 -28.309
79 HN2 A2G 11 HN2 A2G 11 -17.100 -1.199 -31.093
80 H3 A2G 11 H3 A2G 11 -18.395 -3.029 -29.767
81 HO3 A2G 11 HO3 A2G 11 -16.991 -4.811 -28.930
82 H4 A2G 11 H4 A2G 11 -18.847 -4.146 -27.660
83 HO4 A2G 11 HO4 A2G 11 -16.647 -2.608 -26.776
84 H5 A2G 11 H5 A2G 11 -20.030 -2.024 -27.986
85 H6 A2G 11 H6 A2G 11 -20.076 -3.292 -25.739
86 H8 A2G 11 H8 A2G 11 -15.616 -0.901 -32.645
87 H8A A2G 11 H8A A2G 11 -13.983 -1.484 -32.320
88 H8B A2G 11 H8B A2G 11 -14.393 0.205 -32.023
89 H14 A2G 11 H14 A2G 11 -19.009 -2.021 -25.142
90 H15 A2G 11 H15 A2G 11 -20.577 -0.504 -25.665
Start of MODEL 18
1 H1 ACE 1 H1 ACE 1 -27.998 -5.589 -39.265
2 H2 ACE 1 H2 ACE 1 -27.662 -7.257 -38.804
3 H3 ACE 1 H3 ACE 1 -26.381 -6.258 -39.489
4 HA PRO 2 HA PRO 2 -26.592 -6.418 -34.645
5 HB2 PRO 2 HB2 PRO 2 -23.762 -6.937 -34.795
6 HB3 PRO 2 HB3 PRO 2 -25.035 -7.990 -34.161
7 HG2 PRO 2 HG2 PRO 2 -23.683 -8.055 -36.748
8 HG3 PRO 2 HG3 PRO 2 -24.613 -9.316 -35.927
9 HD2 PRO 2 HD2 PRO 2 -25.515 -8.004 -38.156
10 HD3 PRO 2 HD3 PRO 2 -26.601 -8.686 -36.923
11 H THR 3 H THR 3 -26.359 -4.482 -33.688
12 HA THR 3 HA THR 3 -24.781 -2.410 -35.018
13 HB THR 3 HB THR 3 -25.889 -0.882 -33.428
14 HG1 THR 3 HG1 THR 3 -26.322 -1.935 -31.635
15 HG21 THR 3 HG21 THR 3 -28.331 -2.079 -34.142
16 HG22 THR 3 HG22 THR 3 -27.188 -2.561 -35.395
17 HG23 THR 3 HG23 THR 3 -27.447 -0.851 -35.048
18 H THR 4 H THR 4 -22.722 -2.145 -34.468
19 HA THR 4 HA THR 4 -21.840 -2.950 -31.776
20 HB THR 4 HB THR 4 -19.538 -2.756 -32.796
21 HG21 THR 4 HG21 THR 4 -21.109 -4.859 -32.737
22 HG22 THR 4 HG22 THR 4 -19.648 -4.899 -33.724
23 HG23 THR 4 HG23 THR 4 -21.214 -4.598 -34.478
24 H THR 5 H THR 5 -19.789 -1.528 -31.135
25 HA THR 5 HA THR 5 -20.806 1.220 -30.975
26 HB THR 5 HB THR 5 -18.653 1.196 -29.329
27 HG21 THR 5 HG21 THR 5 -21.533 0.449 -28.958
28 HG22 THR 5 HG22 THR 5 -20.667 1.873 -28.383
29 HG23 THR 5 HG23 THR 5 -20.432 0.317 -27.586
30 HA PRO 6 HA PRO 6 -18.048 3.223 -33.690
31 HB2 PRO 6 HB2 PRO 6 -16.744 4.865 -31.714
32 HB3 PRO 6 HB3 PRO 6 -18.016 5.327 -32.855
33 HG2 PRO 6 HG2 PRO 6 -18.214 4.660 -30.019
34 HG3 PRO 6 HG3 PRO 6 -19.351 5.532 -31.057
35 HD2 PRO 6 HD2 PRO 6 -19.823 3.005 -30.110
36 HD3 PRO 6 HD3 PRO 6 -20.496 3.612 -31.642
37 H LEU 7 H LEU 7 -16.100 2.682 -34.530
38 HA LEU 7 HA LEU 7 -14.373 0.883 -33.153
39 HB2 LEU 7 HB2 LEU 7 -12.920 1.141 -35.157
40 HB3 LEU 7 HB3 LEU 7 -14.596 0.772 -35.571
41 HG LEU 7 HG LEU 7 -14.537 3.557 -35.413
42 HD11 LEU 7 HD11 LEU 7 -12.659 4.173 -36.912
43 HD12 LEU 7 HD12 LEU 7 -12.066 2.514 -36.832
44 HD13 LEU 7 HD13 LEU 7 -12.081 3.516 -35.381
45 HD21 LEU 7 HD21 LEU 7 -14.721 3.386 -37.916
46 HD22 LEU 7 HD22 LEU 7 -15.797 2.284 -37.057
47 HD23 LEU 7 HD23 LEU 7 -14.309 1.676 -37.784
48 H LYS 8 H LYS 8 -14.814 3.798 -32.201
49 HA LYS 8 HA LYS 8 -12.112 4.165 -31.248
50 HB2 LYS 8 HB2 LYS 8 -11.938 5.260 -33.434
51 HB3 LYS 8 HB3 LYS 8 -13.348 6.251 -33.063
52 HG2 LYS 8 HG2 LYS 8 -12.205 7.563 -31.547
53 HG3 LYS 8 HG3 LYS 8 -11.087 6.269 -31.111
54 HD2 LYS 8 HD2 LYS 8 -11.018 7.394 -33.894
55 HD3 LYS 8 HD3 LYS 8 -10.240 8.282 -32.583
56 HE2 LYS 8 HE2 LYS 8 -8.625 6.671 -32.262
57 HE3 LYS 8 HE3 LYS 8 -9.689 5.356 -32.763
58 HZ1 LYS 8 HZ1 LYS 8 -9.480 6.078 -35.043
59 HZ2 LYS 8 HZ2 LYS 8 -7.938 5.796 -34.387
60 HZ3 LYS 8 HZ3 LYS 8 -8.505 7.385 -34.580
61 HN1 NH2 9 HN1 NH2 9 -12.447 5.900 -29.054
62 HN2 NH2 9 HN2 NH2 9 -13.218 7.183 -29.855
63 H1 A2G 10 H1 A2G 10 -18.751 -1.146 -34.004
64 H2 A2G 10 H2 A2G 10 -18.131 -0.416 -36.268
65 HN2 A2G 10 HN2 A2G 10 -21.012 -0.045 -35.698
66 H3 A2G 10 H3 A2G 10 -20.473 -2.107 -37.186
67 HO3 A2G 10 HO3 A2G 10 -19.780 -1.451 -39.210
68 H4 A2G 10 H4 A2G 10 -18.816 -3.562 -38.205
69 HO4 A2G 10 HO4 A2G 10 -16.978 -2.674 -38.625
70 H5 A2G 10 H5 A2G 10 -19.411 -4.072 -35.878
71 H6 A2G 10 H6 A2G 10 -17.509 -5.422 -35.320
72 H8 A2G 10 H8 A2G 10 -21.497 2.120 -34.972
73 H8A A2G 10 H8A A2G 10 -21.450 2.627 -36.661
74 H8B A2G 10 H8B A2G 10 -20.425 3.428 -35.471
75 H14 A2G 10 H14 A2G 10 -17.540 -5.328 -37.081
76 H15 A2G 10 H15 A2G 10 -15.967 -3.761 -35.316
77 H1 A2G 11 H1 A2G 11 -17.430 0.034 -28.254
78 H2 A2G 11 H2 A2G 11 -16.323 -2.108 -27.780
79 HN2 A2G 11 HN2 A2G 11 -17.054 -1.929 -30.643
80 H3 A2G 11 H3 A2G 11 -18.646 -3.356 -29.273
81 HO3 A2G 11 HO3 A2G 11 -16.710 -4.692 -27.745
82 H4 A2G 11 H4 A2G 11 -19.314 -4.289 -27.131
83 HO4 A2G 11 HO4 A2G 11 -17.323 -2.722 -25.899
84 H5 A2G 11 H5 A2G 11 -20.215 -2.068 -27.668
85 H6 A2G 11 H6 A2G 11 -20.305 -3.223 -25.245
86 H8 A2G 11 H8 A2G 11 -15.406 -1.908 -32.103
87 H8A A2G 11 H8A A2G 11 -13.752 -2.142 -31.538
88 H8B A2G 11 H8B A2G 11 -14.455 -0.524 -31.564
89 H14 A2G 11 H14 A2G 11 -19.454 -1.744 -24.799
90 H15 A2G 11 H15 A2G 11 -22.020 -2.075 -25.882
Start of MODEL 19
1 H1 ACE 1 H1 ACE 1 -29.674 -7.616 -35.814
2 H2 ACE 1 H2 ACE 1 -28.793 -8.246 -37.207
3 H3 ACE 1 H3 ACE 1 -29.463 -6.614 -37.250
4 HA PRO 2 HA PRO 2 -24.817 -6.963 -35.906
5 HB2 PRO 2 HB2 PRO 2 -24.377 -4.845 -37.809
6 HB3 PRO 2 HB3 PRO 2 -23.737 -6.495 -37.840
7 HG2 PRO 2 HG2 PRO 2 -25.982 -5.341 -39.307
8 HG3 PRO 2 HG3 PRO 2 -25.060 -6.815 -39.630
9 HD2 PRO 2 HD2 PRO 2 -27.647 -6.836 -38.731
10 HD3 PRO 2 HD3 PRO 2 -26.487 -8.140 -38.387
11 H THR 3 H THR 3 -24.279 -5.737 -34.192
12 HA THR 3 HA THR 3 -24.999 -2.906 -34.117
13 HB THR 3 HB THR 3 -25.758 -4.715 -31.821
14 HG1 THR 3 HG1 THR 3 -27.215 -3.815 -34.059
15 HG21 THR 3 HG21 THR 3 -26.873 -2.789 -30.969
16 HG22 THR 3 HG22 THR 3 -26.711 -1.930 -32.500
17 HG23 THR 3 HG23 THR 3 -25.289 -2.222 -31.498
18 H THR 4 H THR 4 -23.021 -2.066 -33.842
19 HA THR 4 HA THR 4 -21.458 -2.970 -31.517
20 HB THR 4 HB THR 4 -19.377 -2.861 -32.830
21 HG21 THR 4 HG21 THR 4 -21.208 -4.635 -34.415
22 HG22 THR 4 HG22 THR 4 -20.977 -4.952 -32.695
23 HG23 THR 4 HG23 THR 4 -19.594 -4.973 -33.790
24 H THR 5 H THR 5 -19.640 -1.367 -31.067
25 HA THR 5 HA THR 5 -20.776 1.335 -31.249
26 HB THR 5 HB THR 5 -18.630 1.603 -29.610
27 HG21 THR 5 HG21 THR 5 -20.392 0.885 -27.774
28 HG22 THR 5 HG22 THR 5 -21.485 0.809 -29.156
29 HG23 THR 5 HG23 THR 5 -20.671 2.322 -28.758
30 HA PRO 6 HA PRO 6 -18.086 3.097 -34.189
31 HB2 PRO 6 HB2 PRO 6 -16.871 5.031 -32.434
32 HB3 PRO 6 HB3 PRO 6 -18.152 5.288 -33.628
33 HG2 PRO 6 HG2 PRO 6 -18.344 4.978 -30.732
34 HG3 PRO 6 HG3 PRO 6 -19.510 5.659 -31.875
35 HD2 PRO 6 HD2 PRO 6 -19.880 3.255 -30.616
36 HD3 PRO 6 HD3 PRO 6 -20.564 3.632 -32.213
37 H LEU 7 H LEU 7 -16.095 2.581 -34.949
38 HA LEU 7 HA LEU 7 -14.309 1.024 -33.367
39 HB2 LEU 7 HB2 LEU 7 -12.854 1.084 -35.362
40 HB3 LEU 7 HB3 LEU 7 -14.518 0.678 -35.782
41 HG LEU 7 HG LEU 7 -14.417 3.481 -35.866
42 HD11 LEU 7 HD11 LEU 7 -12.546 3.891 -37.446
43 HD12 LEU 7 HD12 LEU 7 -11.997 2.233 -37.205
44 HD13 LEU 7 HD13 LEU 7 -11.964 3.376 -35.862
45 HD21 LEU 7 HD21 LEU 7 -14.201 1.458 -38.120
46 HD22 LEU 7 HD22 LEU 7 -14.756 3.124 -38.283
47 HD23 LEU 7 HD23 LEU 7 -15.702 1.967 -37.347
48 H LYS 8 H LYS 8 -14.901 4.027 -32.789
49 HA LYS 8 HA LYS 8 -13.712 5.622 -31.607
50 HB2 LYS 8 HB2 LYS 8 -12.190 3.483 -31.152
51 HB3 LYS 8 HB3 LYS 8 -11.080 4.358 -32.206
52 HG2 LYS 8 HG2 LYS 8 -11.669 6.408 -30.682
53 HG3 LYS 8 HG3 LYS 8 -12.181 5.172 -29.531
54 HD2 LYS 8 HD2 LYS 8 -9.872 4.077 -30.029
55 HD3 LYS 8 HD3 LYS 8 -9.436 5.663 -30.667
56 HE2 LYS 8 HE2 LYS 8 -9.962 4.831 -27.864
57 HE3 LYS 8 HE3 LYS 8 -8.847 6.047 -28.487
58 HZ1 LYS 8 HZ1 LYS 8 -10.534 7.225 -27.392
59 HZ2 LYS 8 HZ2 LYS 8 -11.770 6.285 -28.082
60 HZ3 LYS 8 HZ3 LYS 8 -10.895 7.380 -29.042
61 HN1 NH2 9 HN1 NH2 9 -13.158 6.989 -35.010
62 HN2 NH2 9 HN2 NH2 9 -14.163 5.687 -34.592
63 H1 A2G 10 H1 A2G 10 -18.720 -1.189 -34.048
64 H2 A2G 10 H2 A2G 10 -18.311 -0.394 -36.338
65 HN2 A2G 10 HN2 A2G 10 -21.147 -0.059 -35.554
66 H3 A2G 10 H3 A2G 10 -20.718 -2.076 -37.086
67 HO3 A2G 10 HO3 A2G 10 -19.470 0.011 -38.205
68 H4 A2G 10 H4 A2G 10 -19.154 -3.493 -38.289
69 HO4 A2G 10 HO4 A2G 10 -17.446 -2.414 -38.888
70 H5 A2G 10 H5 A2G 10 -19.536 -4.069 -35.933
71 H6 A2G 10 H6 A2G 10 -17.665 -5.483 -35.648
72 H8 A2G 10 H8 A2G 10 -21.593 2.021 -34.651
73 H8A A2G 10 H8A A2G 10 -21.581 2.725 -36.267
74 H8B A2G 10 H8B A2G 10 -20.507 3.360 -35.022
75 H14 A2G 10 H14 A2G 10 -17.703 -5.202 -37.389
76 H15 A2G 10 H15 A2G 10 -16.090 -3.899 -35.460
77 H1 A2G 11 H1 A2G 11 -17.399 0.647 -28.371
78 H2 A2G 11 H2 A2G 11 -16.166 -1.364 -27.683
79 HN2 A2G 11 HN2 A2G 11 -16.898 -1.452 -30.550
80 H3 A2G 11 H3 A2G 11 -18.398 -2.898 -29.041
81 HO3 A2G 11 HO3 A2G 11 -16.294 -3.819 -29.115
82 H4 A2G 11 H4 A2G 11 -19.021 -3.646 -26.815
83 HO4 A2G 11 HO4 A2G 11 -17.702 -3.422 -25.212
84 H5 A2G 11 H5 A2G 11 -20.052 -1.552 -27.575
85 H6 A2G 11 H6 A2G 11 -20.088 -2.458 -25.048
86 H8 A2G 11 H8 A2G 11 -15.220 -1.654 -32.000
87 H8A A2G 11 H8A A2G 11 -13.560 -1.726 -31.410
88 H8B A2G 11 H8B A2G 11 -14.356 -0.165 -31.613
89 H14 A2G 11 H14 A2G 11 -19.330 -0.893 -24.753
90 H15 A2G 11 H15 A2G 11 -21.886 -1.505 -25.661
Start of MODEL 20
1 H1 ACE 1 H1 ACE 1 -26.115 -9.240 -38.034
2 H2 ACE 1 H2 ACE 1 -24.415 -8.771 -38.000
3 H3 ACE 1 H3 ACE 1 -25.471 -8.168 -39.278
4 HA PRO 2 HA PRO 2 -27.408 -6.091 -35.284
5 HB2 PRO 2 HB2 PRO 2 -25.444 -6.465 -33.209
6 HB3 PRO 2 HB3 PRO 2 -27.127 -7.013 -33.235
7 HG2 PRO 2 HG2 PRO 2 -24.677 -8.506 -33.776
8 HG3 PRO 2 HG3 PRO 2 -26.294 -9.096 -33.366
9 HD2 PRO 2 HD2 PRO 2 -25.188 -9.369 -35.857
10 HD3 PRO 2 HD3 PRO 2 -26.942 -9.258 -35.578
11 H THR 3 H THR 3 -26.581 -4.127 -33.992
12 HA THR 3 HA THR 3 -24.561 -2.786 -35.627
13 HB THR 3 HB THR 3 -26.640 -1.586 -35.240
14 HG1 THR 3 HG1 THR 3 -24.369 -0.627 -33.858
15 HG21 THR 3 HG21 THR 3 -25.949 -1.848 -32.301
16 HG22 THR 3 HG22 THR 3 -27.264 -2.686 -33.125
17 HG23 THR 3 HG23 THR 3 -27.304 -0.931 -32.958
18 H THR 4 H THR 4 -22.664 -1.924 -34.836
19 HA THR 4 HA THR 4 -21.795 -2.988 -32.232
20 HB THR 4 HB THR 4 -19.524 -2.022 -33.327
21 HG21 THR 4 HG21 THR 4 -19.916 -4.335 -32.564
22 HG22 THR 4 HG22 THR 4 -19.125 -4.319 -34.141
23 HG23 THR 4 HG23 THR 4 -20.851 -4.659 -34.025
24 H THR 5 H THR 5 -19.861 -1.415 -31.410
25 HA THR 5 HA THR 5 -21.226 1.120 -30.840
26 HB THR 5 HB THR 5 -19.444 1.321 -29.062
27 HG21 THR 5 HG21 THR 5 -20.922 -1.308 -28.889
28 HG22 THR 5 HG22 THR 5 -21.757 0.241 -28.775
29 HG23 THR 5 HG23 THR 5 -20.533 -0.190 -27.581
30 HA PRO 6 HA PRO 6 -18.863 3.764 -33.390
31 HB2 PRO 6 HB2 PRO 6 -17.938 5.455 -31.250
32 HB3 PRO 6 HB3 PRO 6 -19.246 5.763 -32.401
33 HG2 PRO 6 HG2 PRO 6 -19.382 4.846 -29.632
34 HG3 PRO 6 HG3 PRO 6 -20.638 5.572 -30.646
35 HD2 PRO 6 HD2 PRO 6 -20.650 2.934 -29.908
36 HD3 PRO 6 HD3 PRO 6 -21.388 3.526 -31.415
37 H LEU 7 H LEU 7 -16.764 3.949 -34.113
38 HA LEU 7 HA LEU 7 -14.794 2.231 -32.979
39 HB2 LEU 7 HB2 LEU 7 -14.981 2.781 -35.415
40 HB3 LEU 7 HB3 LEU 7 -14.393 4.403 -35.048
41 HG LEU 7 HG LEU 7 -12.349 3.381 -34.032
42 HD11 LEU 7 HD11 LEU 7 -12.138 0.881 -35.042
43 HD12 LEU 7 HD12 LEU 7 -13.873 0.926 -34.726
44 HD13 LEU 7 HD13 LEU 7 -12.730 1.208 -33.413
45 HD21 LEU 7 HD21 LEU 7 -11.694 3.962 -36.132
46 HD22 LEU 7 HD22 LEU 7 -13.135 3.266 -36.871
47 HD23 LEU 7 HD23 LEU 7 -11.767 2.232 -36.464
48 H LYS 8 H LYS 8 -13.818 2.690 -31.108
49 HA LYS 8 HA LYS 8 -12.875 3.907 -29.383
50 HB2 LYS 8 HB2 LYS 8 -11.537 5.339 -31.688
51 HB3 LYS 8 HB3 LYS 8 -10.914 5.137 -30.050
52 HG2 LYS 8 HG2 LYS 8 -11.542 2.821 -31.900
53 HG3 LYS 8 HG3 LYS 8 -9.935 3.528 -31.729
54 HD2 LYS 8 HD2 LYS 8 -9.627 2.105 -30.004
55 HD3 LYS 8 HD3 LYS 8 -10.758 3.114 -29.101
56 HE2 LYS 8 HE2 LYS 8 -12.626 1.724 -30.147
57 HE3 LYS 8 HE3 LYS 8 -11.369 0.613 -30.688
58 HZ1 LYS 8 HZ1 LYS 8 -11.028 -0.144 -28.621
59 HZ2 LYS 8 HZ2 LYS 8 -12.584 0.464 -28.312
60 HZ3 LYS 8 HZ3 LYS 8 -11.213 1.381 -27.904
61 HN1 NH2 9 HN1 NH2 9 -13.223 6.916 -28.503
62 HN2 NH2 9 HN2 NH2 9 -12.291 7.247 -29.883
63 H1 A2G 10 H1 A2G 10 -18.705 -1.307 -35.110
64 H2 A2G 10 H2 A2G 10 -18.668 -0.980 -37.545
65 HN2 A2G 10 HN2 A2G 10 -21.208 -0.104 -36.301
66 H3 A2G 10 H3 A2G 10 -21.350 -2.391 -37.533
67 HO3 A2G 10 HO3 A2G 10 -19.715 -1.629 -39.706
68 H4 A2G 10 H4 A2G 10 -20.229 -4.218 -38.670
69 HO4 A2G 10 HO4 A2G 10 -18.535 -3.631 -39.745
70 H5 A2G 10 H5 A2G 10 -20.174 -4.326 -36.221
71 H6 A2G 10 H6 A2G 10 -18.749 -6.096 -36.231
72 H8 A2G 10 H8 A2G 10 -21.257 2.193 -35.895
73 H8A A2G 10 H8A A2G 10 -21.631 2.424 -37.603
74 H8B A2G 10 H8B A2G 10 -20.241 3.240 -36.887
75 H14 A2G 10 H14 A2G 10 -18.497 -5.702 -37.932
76 H15 A2G 10 H15 A2G 10 -16.725 -5.655 -36.003
77 H1 A2G 11 H1 A2G 11 -17.351 1.078 -29.834
78 H2 A2G 11 H2 A2G 11 -15.328 -0.276 -29.498
79 HN2 A2G 11 HN2 A2G 11 -17.189 -1.449 -31.479
80 H3 A2G 11 H3 A2G 11 -17.241 -2.598 -29.137
81 HO3 A2G 11 HO3 A2G 11 -15.328 -3.243 -30.044
82 H4 A2G 11 H4 A2G 11 -16.522 -2.622 -26.816
83 HO4 A2G 11 HO4 A2G 11 -14.626 -0.952 -27.823
84 H5 A2G 11 H5 A2G 11 -18.438 -1.177 -27.335
85 H6 A2G 11 H6 A2G 11 -17.224 -1.177 -25.021
86 H8 A2G 11 H8 A2G 11 -16.415 -1.843 -33.493
87 H8A A2G 11 H8A A2G 11 -14.683 -1.694 -33.786
88 H8B A2G 11 H8B A2G 11 -15.732 -0.289 -33.973
89 H14 A2G 11 H14 A2G 11 -16.691 0.440 -25.484
90 H15 A2G 11 H15 A2G 11 -19.381 -0.192 -25.821
Start of MODEL 21
1 H1 ACE 1 H1 ACE 1 -26.713 -5.739 -40.172
2 H2 ACE 1 H2 ACE 1 -26.040 -4.111 -40.073
3 H3 ACE 1 H3 ACE 1 -27.750 -4.381 -39.733
4 HA PRO 2 HA PRO 2 -25.567 -6.841 -36.095
5 HB2 PRO 2 HB2 PRO 2 -22.821 -5.970 -36.139
6 HB3 PRO 2 HB3 PRO 2 -23.452 -7.616 -36.314
7 HG2 PRO 2 HG2 PRO 2 -22.529 -5.750 -38.361
8 HG3 PRO 2 HG3 PRO 2 -22.739 -7.505 -38.443
9 HD2 PRO 2 HD2 PRO 2 -24.375 -5.738 -39.750
10 HD3 PRO 2 HD3 PRO 2 -24.917 -7.340 -39.202
11 H THR 3 H THR 3 -25.697 -5.903 -34.100
12 HA THR 3 HA THR 3 -25.615 -2.981 -33.988
13 HB THR 3 HB THR 3 -26.754 -3.226 -31.854
14 HG1 THR 3 HG1 THR 3 -26.301 -4.954 -30.778
15 HG21 THR 3 HG21 THR 3 -27.897 -3.664 -34.184
16 HG22 THR 3 HG22 THR 3 -28.789 -3.982 -32.696
17 HG23 THR 3 HG23 THR 3 -28.043 -5.313 -33.580
18 H THR 4 H THR 4 -23.627 -2.175 -33.658
19 HA THR 4 HA THR 4 -22.137 -3.142 -31.311
20 HB THR 4 HB THR 4 -20.016 -2.989 -32.579
21 HG21 THR 4 HG21 THR 4 -21.792 -4.795 -34.186
22 HG22 THR 4 HG22 THR 4 -21.601 -5.096 -32.458
23 HG23 THR 4 HG23 THR 4 -20.192 -5.112 -33.517
24 H THR 5 H THR 5 -20.245 -1.556 -30.877
25 HA THR 5 HA THR 5 -21.395 1.142 -30.920
26 HB THR 5 HB THR 5 -19.600 1.617 -29.227
27 HG21 THR 5 HG21 THR 5 -21.144 -0.837 -28.407
28 HG22 THR 5 HG22 THR 5 -21.979 0.679 -28.750
29 HG23 THR 5 HG23 THR 5 -20.779 0.605 -27.459
30 HA PRO 6 HA PRO 6 -18.889 2.916 -34.025
31 HB2 PRO 6 HB2 PRO 6 -17.809 4.993 -32.347
32 HB3 PRO 6 HB3 PRO 6 -19.110 5.116 -33.541
33 HG2 PRO 6 HG2 PRO 6 -19.268 4.895 -30.634
34 HG3 PRO 6 HG3 PRO 6 -20.483 5.452 -31.793
35 HD2 PRO 6 HD2 PRO 6 -20.677 3.073 -30.449
36 HD3 PRO 6 HD3 PRO 6 -21.392 3.343 -32.054
37 H LEU 7 H LEU 7 -16.843 2.602 -34.779
38 HA LEU 7 HA LEU 7 -14.963 1.166 -33.190
39 HB2 LEU 7 HB2 LEU 7 -15.278 1.039 -35.723
40 HB3 LEU 7 HB3 LEU 7 -14.358 2.543 -35.805
41 HG LEU 7 HG LEU 7 -12.848 0.951 -34.098
42 HD11 LEU 7 HD11 LEU 7 -14.363 -0.949 -34.873
43 HD12 LEU 7 HD12 LEU 7 -12.635 -1.203 -35.122
44 HD13 LEU 7 HD13 LEU 7 -13.661 -0.734 -36.477
45 HD21 LEU 7 HD21 LEU 7 -11.363 0.741 -36.159
46 HD22 LEU 7 HD22 LEU 7 -11.863 2.383 -35.756
47 HD23 LEU 7 HD23 LEU 7 -12.660 1.515 -37.068
48 H LYS 8 H LYS 8 -12.898 1.803 -32.485
49 HA LYS 8 HA LYS 8 -12.045 4.555 -32.690
50 HB2 LYS 8 HB2 LYS 8 -13.842 4.287 -30.766
51 HB3 LYS 8 HB3 LYS 8 -12.462 3.647 -29.874
52 HG2 LYS 8 HG2 LYS 8 -12.571 6.337 -31.272
53 HG3 LYS 8 HG3 LYS 8 -12.658 6.076 -29.530
54 HD2 LYS 8 HD2 LYS 8 -10.401 4.830 -29.811
55 HD3 LYS 8 HD3 LYS 8 -10.316 5.638 -31.377
56 HE2 LYS 8 HE2 LYS 8 -10.116 6.786 -28.640
57 HE3 LYS 8 HE3 LYS 8 -9.297 7.270 -30.125
58 HZ1 LYS 8 HZ1 LYS 8 -10.841 8.960 -29.595
59 HZ2 LYS 8 HZ2 LYS 8 -12.096 7.845 -29.335
60 HZ3 LYS 8 HZ3 LYS 8 -11.499 8.107 -30.905
61 HN1 NH2 9 HN1 NH2 9 -9.966 3.731 -33.401
62 HN2 NH2 9 HN2 NH2 9 -8.891 3.216 -32.193
63 H1 A2G 10 H1 A2G 10 -19.378 -1.296 -33.794
64 H2 A2G 10 H2 A2G 10 -18.936 -0.523 -36.085
65 HN2 A2G 10 HN2 A2G 10 -21.791 -0.243 -35.348
66 H3 A2G 10 H3 A2G 10 -21.288 -2.269 -36.863
67 HO3 A2G 10 HO3 A2G 10 -20.042 -0.175 -37.987
68 H4 A2G 10 H4 A2G 10 -19.665 -3.666 -38.012
69 HO4 A2G 10 HO4 A2G 10 -18.067 -2.326 -38.586
70 H5 A2G 10 H5 A2G 10 -20.087 -4.218 -35.657
71 H6 A2G 10 H6 A2G 10 -18.169 -5.568 -35.293
72 H8 A2G 10 H8 A2G 10 -22.320 1.871 -34.553
73 H8A A2G 10 H8A A2G 10 -22.303 2.473 -36.211
74 H8B A2G 10 H8B A2G 10 -21.277 3.224 -34.988
75 H14 A2G 10 H14 A2G 10 -18.217 -5.352 -37.042
76 H15 A2G 10 H15 A2G 10 -16.874 -3.347 -36.353
77 H1 A2G 11 H1 A2G 11 -17.518 1.065 -29.984
78 H2 A2G 11 H2 A2G 11 -15.572 -0.258 -29.273
79 HN2 A2G 11 HN2 A2G 11 -17.468 -1.905 -30.844
80 H3 A2G 11 H3 A2G 11 -17.613 -2.288 -28.323
81 HO3 A2G 11 HO3 A2G 11 -15.069 -2.544 -27.469
82 H4 A2G 11 H4 A2G 11 -16.885 -1.726 -26.073
83 HO4 A2G 11 HO4 A2G 11 -15.333 0.347 -27.197
84 H5 A2G 11 H5 A2G 11 -18.717 -0.370 -26.982
85 H6 A2G 11 H6 A2G 11 -17.276 0.233 -24.780
86 H8 A2G 11 H8 A2G 11 -16.684 -2.796 -32.726
87 H8A A2G 11 H8A A2G 11 -15.021 -2.478 -33.217
88 H8B A2G 11 H8B A2G 11 -16.288 -1.308 -33.585
89 H14 A2G 11 H14 A2G 11 -17.037 1.725 -25.691
90 H15 A2G 11 H15 A2G 11 -19.038 2.236 -25.365
Start of MODEL 22
1 H1 ACE 1 H1 ACE 1 -28.795 -6.331 -37.511
2 H2 ACE 1 H2 ACE 1 -28.620 -7.436 -36.148
3 H3 ACE 1 H3 ACE 1 -27.743 -7.739 -37.648
4 HA PRO 2 HA PRO 2 -24.103 -5.578 -36.541
5 HB2 PRO 2 HB2 PRO 2 -24.365 -3.317 -38.307
6 HB3 PRO 2 HB3 PRO 2 -23.346 -4.750 -38.507
7 HG2 PRO 2 HG2 PRO 2 -25.926 -4.118 -39.718
8 HG3 PRO 2 HG3 PRO 2 -24.702 -5.294 -40.216
9 HD2 PRO 2 HD2 PRO 2 -27.115 -6.012 -39.137
10 HD3 PRO 2 HD3 PRO 2 -25.646 -6.999 -38.975
11 H THR 3 H THR 3 -24.253 -4.728 -34.524
12 HA THR 3 HA THR 3 -25.130 -1.951 -34.269
13 HB THR 3 HB THR 3 -26.402 -2.642 -32.139
14 HG1 THR 3 HG1 THR 3 -27.136 -4.745 -32.141
15 HG21 THR 3 HG21 THR 3 -27.507 -3.449 -34.844
16 HG22 THR 3 HG22 THR 3 -27.464 -1.801 -34.217
17 HG23 THR 3 HG23 THR 3 -28.454 -3.022 -33.419
18 H THR 4 H THR 4 -22.599 -2.354 -34.206
19 HA THR 4 HA THR 4 -21.750 -2.933 -31.446
20 HB THR 4 HB THR 4 -19.440 -2.886 -32.456
21 HG21 THR 4 HG21 THR 4 -21.069 -4.937 -32.249
22 HG22 THR 4 HG22 THR 4 -19.596 -5.093 -33.209
23 HG23 THR 4 HG23 THR 4 -21.145 -4.815 -34.007
24 H THR 5 H THR 5 -19.683 -1.503 -30.906
25 HA THR 5 HA THR 5 -20.642 1.268 -30.998
26 HB THR 5 HB THR 5 -18.580 1.429 -29.318
27 HG21 THR 5 HG21 THR 5 -21.225 0.109 -28.637
28 HG22 THR 5 HG22 THR 5 -20.950 1.847 -28.756
29 HG23 THR 5 HG23 THR 5 -20.154 0.914 -27.490
30 HA PRO 6 HA PRO 6 -17.825 2.957 -33.870
31 HB2 PRO 6 HB2 PRO 6 -16.541 4.776 -32.042
32 HB3 PRO 6 HB3 PRO 6 -17.786 5.133 -33.248
33 HG2 PRO 6 HG2 PRO 6 -18.044 4.752 -30.365
34 HG3 PRO 6 HG3 PRO 6 -19.152 5.526 -31.507
35 HD2 PRO 6 HD2 PRO 6 -19.669 3.110 -30.323
36 HD3 PRO 6 HD3 PRO 6 -20.305 3.567 -31.919
37 H LEU 7 H LEU 7 -15.839 2.382 -34.612
38 HA LEU 7 HA LEU 7 -14.177 0.664 -33.064
39 HB2 LEU 7 HB2 LEU 7 -12.676 0.727 -35.018
40 HB3 LEU 7 HB3 LEU 7 -14.350 0.458 -35.505
41 HG LEU 7 HG LEU 7 -13.120 3.218 -35.419
42 HD11 LEU 7 HD11 LEU 7 -11.840 2.564 -37.170
43 HD12 LEU 7 HD12 LEU 7 -13.347 2.509 -38.087
44 HD13 LEU 7 HD13 LEU 7 -12.714 1.041 -37.342
45 HD21 LEU 7 HD21 LEU 7 -15.041 3.221 -37.339
46 HD22 LEU 7 HD22 LEU 7 -15.366 3.609 -35.650
47 HD23 LEU 7 HD23 LEU 7 -15.688 1.986 -36.259
48 H LYS 8 H LYS 8 -14.485 3.092 -31.686
49 HA LYS 8 HA LYS 8 -11.712 3.769 -31.248
50 HB2 LYS 8 HB2 LYS 8 -12.175 6.255 -31.534
51 HB3 LYS 8 HB3 LYS 8 -12.039 5.321 -33.024
52 HG2 LYS 8 HG2 LYS 8 -14.500 5.137 -33.134
53 HG3 LYS 8 HG3 LYS 8 -14.635 6.084 -31.652
54 HD2 LYS 8 HD2 LYS 8 -14.876 7.777 -33.207
55 HD3 LYS 8 HD3 LYS 8 -13.121 7.790 -33.029
56 HE2 LYS 8 HE2 LYS 8 -13.241 5.957 -34.939
57 HE3 LYS 8 HE3 LYS 8 -14.787 6.732 -35.281
58 HZ1 LYS 8 HZ1 LYS 8 -12.266 7.605 -36.020
59 HZ2 LYS 8 HZ2 LYS 8 -12.804 8.689 -34.828
60 HZ3 LYS 8 HZ3 LYS 8 -13.739 8.422 -36.221
61 HN1 NH2 9 HN1 NH2 9 -13.375 3.096 -28.517
62 HN2 NH2 9 HN2 NH2 9 -14.751 3.282 -29.495
63 H1 A2G 10 H1 A2G 10 -18.602 -1.396 -33.780
64 H2 A2G 10 H2 A2G 10 -17.939 -0.868 -36.087
65 HN2 A2G 10 HN2 A2G 10 -20.834 -0.391 -35.685
66 H3 A2G 10 H3 A2G 10 -20.312 -2.572 -36.895
67 HO3 A2G 10 HO3 A2G 10 -18.938 -0.633 -38.093
68 H4 A2G 10 H4 A2G 10 -18.680 -4.145 -37.771
69 HO4 A2G 10 HO4 A2G 10 -16.727 -2.413 -36.666
70 H5 A2G 10 H5 A2G 10 -19.315 -4.448 -35.418
71 H6 A2G 10 H6 A2G 10 -17.554 -5.887 -34.819
72 H8 A2G 10 H8 A2G 10 -21.356 1.798 -35.114
73 H8A A2G 10 H8A A2G 10 -21.041 2.277 -36.782
74 H8B A2G 10 H8B A2G 10 -20.179 3.065 -35.459
75 H14 A2G 10 H14 A2G 10 -17.349 -5.745 -36.565
76 H15 A2G 10 H15 A2G 10 -15.520 -5.298 -34.883
77 H1 A2G 11 H1 A2G 11 -16.968 0.337 -28.755
78 H2 A2G 11 H2 A2G 11 -15.834 -1.703 -27.984
79 HN2 A2G 11 HN2 A2G 11 -17.185 -2.128 -30.584
80 H3 A2G 11 H3 A2G 11 -18.463 -3.090 -28.578
81 HO3 A2G 11 HO3 A2G 11 -16.704 -4.411 -28.915
82 H4 A2G 11 H4 A2G 11 -18.655 -3.403 -26.175
83 HO4 A2G 11 HO4 A2G 11 -16.331 -1.807 -25.938
84 H5 A2G 11 H5 A2G 11 -19.599 -1.320 -27.068
85 H6 A2G 11 H6 A2G 11 -19.120 -1.825 -24.455
86 H8 A2G 11 H8 A2G 11 -15.881 -2.721 -32.300
87 H8A A2G 11 H8A A2G 11 -14.139 -2.867 -32.064
88 H8B A2G 11 H8B A2G 11 -14.862 -1.281 -32.329
89 H14 A2G 11 H14 A2G 11 -18.227 -0.313 -24.625
90 H15 A2G 11 H15 A2G 11 -20.934 -0.761 -25.341
Start of MODEL 23
1 H1 ACE 1 H1 ACE 1 -28.035 -7.839 -38.109
2 H2 ACE 1 H2 ACE 1 -29.483 -7.541 -37.146
3 H3 ACE 1 H3 ACE 1 -28.593 -9.052 -36.955
4 HA PRO 2 HA PRO 2 -25.976 -7.689 -33.723
5 HB2 PRO 2 HB2 PRO 2 -23.496 -7.525 -35.179
6 HB3 PRO 2 HB3 PRO 2 -24.039 -8.803 -34.082
7 HG2 PRO 2 HG2 PRO 2 -24.045 -8.728 -37.002
8 HG3 PRO 2 HG3 PRO 2 -24.158 -10.114 -35.907
9 HD2 PRO 2 HD2 PRO 2 -26.266 -9.217 -37.409
10 HD3 PRO 2 HD3 PRO 2 -26.468 -10.048 -35.849
11 H THR 3 H THR 3 -24.338 -5.929 -33.112
12 HA THR 3 HA THR 3 -24.354 -3.600 -34.877
13 HB THR 3 HB THR 3 -26.415 -3.245 -33.694
14 HG1 THR 3 HG1 THR 3 -24.891 -1.484 -33.819
15 HG21 THR 3 HG21 THR 3 -26.396 -3.203 -31.169
16 HG22 THR 3 HG22 THR 3 -24.789 -3.927 -31.235
17 HG23 THR 3 HG23 THR 3 -26.179 -4.804 -31.875
18 H THR 4 H THR 4 -22.888 -1.928 -34.177
19 HA THR 4 HA THR 4 -21.012 -2.704 -32.046
20 HB THR 4 HB THR 4 -19.093 -2.189 -33.504
21 HG21 THR 4 HG21 THR 4 -20.359 -4.512 -33.394
22 HG22 THR 4 HG22 THR 4 -19.053 -4.262 -34.552
23 HG23 THR 4 HG23 THR 4 -20.733 -4.142 -35.077
24 H THR 5 H THR 5 -19.461 -0.872 -31.573
25 HA THR 5 HA THR 5 -20.996 1.627 -31.512
26 HB THR 5 HB THR 5 -18.847 2.159 -29.978
27 HG21 THR 5 HG21 THR 5 -21.097 0.392 -28.996
28 HG22 THR 5 HG22 THR 5 -21.323 2.096 -29.387
29 HG23 THR 5 HG23 THR 5 -20.223 1.628 -28.091
30 HA PRO 6 HA PRO 6 -18.805 3.956 -34.479
31 HB2 PRO 6 HB2 PRO 6 -17.788 5.948 -32.663
32 HB3 PRO 6 HB3 PRO 6 -19.166 6.074 -33.766
33 HG2 PRO 6 HG2 PRO 6 -19.123 5.565 -30.892
34 HG3 PRO 6 HG3 PRO 6 -20.450 6.124 -31.920
35 HD2 PRO 6 HD2 PRO 6 -20.369 3.620 -30.811
36 HD3 PRO 6 HD3 PRO 6 -21.204 3.981 -32.340
37 H LEU 7 H LEU 7 -17.126 2.509 -34.972
38 HA LEU 7 HA LEU 7 -15.037 1.462 -34.685
39 HB2 LEU 7 HB2 LEU 7 -14.945 3.655 -36.114
40 HB3 LEU 7 HB3 LEU 7 -14.029 4.285 -34.744
41 HG LEU 7 HG LEU 7 -12.752 1.949 -35.019
42 HD11 LEU 7 HD11 LEU 7 -13.663 2.635 -37.831
43 HD12 LEU 7 HD12 LEU 7 -14.223 1.245 -36.901
44 HD13 LEU 7 HD13 LEU 7 -12.531 1.358 -37.385
45 HD21 LEU 7 HD21 LEU 7 -11.472 3.919 -35.089
46 HD22 LEU 7 HD22 LEU 7 -12.381 4.572 -36.452
47 HD23 LEU 7 HD23 LEU 7 -11.237 3.253 -36.706
48 H LYS 8 H LYS 8 -12.779 3.241 -33.670
49 HA LYS 8 HA LYS 8 -13.266 3.492 -30.834
50 HB2 LYS 8 HB2 LYS 8 -12.863 0.997 -31.285
51 HB3 LYS 8 HB3 LYS 8 -11.201 1.456 -31.658
52 HG2 LYS 8 HG2 LYS 8 -10.990 1.051 -29.390
53 HG3 LYS 8 HG3 LYS 8 -11.417 2.762 -29.348
54 HD2 LYS 8 HD2 LYS 8 -13.891 1.797 -29.335
55 HD3 LYS 8 HD3 LYS 8 -13.089 0.374 -28.669
56 HE2 LYS 8 HE2 LYS 8 -11.910 2.179 -27.120
57 HE3 LYS 8 HE3 LYS 8 -13.350 3.120 -27.506
58 HZ1 LYS 8 HZ1 LYS 8 -13.633 0.320 -26.656
59 HZ2 LYS 8 HZ2 LYS 8 -14.726 1.610 -26.495
60 HZ3 LYS 8 HZ3 LYS 8 -13.360 1.518 -25.488
61 HN1 NH2 9 HN1 NH2 9 -11.361 6.035 -31.524
62 HN2 NH2 9 HN2 NH2 9 -11.503 5.199 -30.053
63 H1 A2G 10 H1 A2G 10 -18.860 -0.329 -34.634
64 H2 A2G 10 H2 A2G 10 -18.756 0.627 -36.896
65 HN2 A2G 10 HN2 A2G 10 -21.571 0.398 -36.004
66 H3 A2G 10 H3 A2G 10 -20.860 -1.439 -37.597
67 HO3 A2G 10 HO3 A2G 10 -19.555 -0.143 -39.591
68 H4 A2G 10 H4 A2G 10 -19.145 -2.485 -38.965
69 HO4 A2G 10 HO4 A2G 10 -18.050 -0.293 -39.125
70 H5 A2G 10 H5 A2G 10 -19.257 -3.224 -36.626
71 H6 A2G 10 H6 A2G 10 -17.215 -4.346 -36.607
72 H8 A2G 10 H8 A2G 10 -22.374 2.276 -34.931
73 H8A A2G 10 H8A A2G 10 -22.455 3.133 -36.469
74 H8B A2G 10 H8B A2G 10 -21.520 3.806 -35.135
75 H14 A2G 10 H14 A2G 10 -17.286 -3.828 -38.291
76 H15 A2G 10 H15 A2G 10 -15.712 -2.478 -37.953
77 H1 A2G 11 H1 A2G 11 -16.998 1.245 -29.616
78 H2 A2G 11 H2 A2G 11 -15.650 -0.602 -28.714
79 HN2 A2G 11 HN2 A2G 11 -17.079 -1.442 -31.167
80 H3 A2G 11 H3 A2G 11 -18.169 -2.259 -29.016
81 HO3 A2G 11 HO3 A2G 11 -16.739 -3.723 -27.800
82 H4 A2G 11 H4 A2G 11 -18.217 -2.337 -26.588
83 HO4 A2G 11 HO4 A2G 11 -16.697 -1.176 -25.399
84 H5 A2G 11 H5 A2G 11 -19.385 -0.445 -27.627
85 H6 A2G 11 H6 A2G 11 -18.734 -0.634 -25.008
86 H8 A2G 11 H8 A2G 11 -15.813 -2.072 -32.887
87 H8A A2G 11 H8A A2G 11 -14.055 -2.015 -32.743
88 H8B A2G 11 H8B A2G 11 -14.954 -0.555 -33.156
89 H14 A2G 11 H14 A2G 11 -17.997 0.925 -25.379
90 H15 A2G 11 H15 A2G 11 -20.514 0.451 -24.902
Start of MODEL 24
1 H1 ACE 1 H1 ACE 1 -27.146 -5.874 -31.712
2 H2 ACE 1 H2 ACE 1 -26.099 -7.247 -31.349
3 H3 ACE 1 H3 ACE 1 -27.732 -7.520 -31.959
4 HA PRO 2 HA PRO 2 -26.669 -7.636 -36.203
5 HB2 PRO 2 HB2 PRO 2 -27.818 -5.127 -37.030
6 HB3 PRO 2 HB3 PRO 2 -28.478 -6.756 -37.241
7 HG2 PRO 2 HG2 PRO 2 -29.150 -4.717 -35.262
8 HG3 PRO 2 HG3 PRO 2 -30.066 -6.142 -35.771
9 HD2 PRO 2 HD2 PRO 2 -28.861 -5.935 -33.320
10 HD3 PRO 2 HD3 PRO 2 -29.132 -7.489 -34.143
11 H THR 3 H THR 3 -26.530 -4.186 -35.261
12 HA THR 3 HA THR 3 -24.021 -3.880 -36.732
13 HB THR 3 HB THR 3 -25.044 -1.583 -35.203
14 HG1 THR 3 HG1 THR 3 -27.012 -1.743 -35.857
15 HG21 THR 3 HG21 THR 3 -24.565 -0.435 -37.256
16 HG22 THR 3 HG22 THR 3 -24.546 -1.946 -38.164
17 HG23 THR 3 HG23 THR 3 -23.262 -1.597 -37.006
18 H THR 4 H THR 4 -22.264 -2.594 -35.657
19 HA THR 4 HA THR 4 -21.820 -3.667 -32.950
20 HB THR 4 HB THR 4 -19.418 -3.054 -33.421
21 HG21 THR 4 HG21 THR 4 -19.033 -5.047 -34.555
22 HG22 THR 4 HG22 THR 4 -20.393 -4.805 -35.650
23 HG23 THR 4 HG23 THR 4 -20.680 -5.308 -33.984
24 H THR 5 H THR 5 -20.130 -2.098 -31.759
25 HA THR 5 HA THR 5 -21.584 0.432 -31.456
26 HB THR 5 HB THR 5 -20.237 0.629 -29.352
27 HG21 THR 5 HG21 THR 5 -21.521 -2.093 -29.440
28 HG22 THR 5 HG22 THR 5 -22.499 -0.637 -29.635
29 HG23 THR 5 HG23 THR 5 -21.574 -0.888 -28.154
30 HA PRO 6 HA PRO 6 -18.781 3.084 -33.501
31 HB2 PRO 6 HB2 PRO 6 -18.329 4.796 -31.229
32 HB3 PRO 6 HB3 PRO 6 -19.379 5.083 -32.625
33 HG2 PRO 6 HG2 PRO 6 -20.066 4.177 -29.936
34 HG3 PRO 6 HG3 PRO 6 -21.097 4.883 -31.189
35 HD2 PRO 6 HD2 PRO 6 -21.230 2.249 -30.451
36 HD3 PRO 6 HD3 PRO 6 -21.652 2.825 -32.080
37 H LEU 7 H LEU 7 -16.709 2.606 -33.926
38 HA LEU 7 HA LEU 7 -14.996 1.324 -32.043
39 HB2 LEU 7 HB2 LEU 7 -13.320 1.412 -33.791
40 HB3 LEU 7 HB3 LEU 7 -14.874 0.998 -34.517
41 HG LEU 7 HG LEU 7 -14.893 3.760 -34.587
42 HD11 LEU 7 HD11 LEU 7 -12.142 2.880 -35.483
43 HD12 LEU 7 HD12 LEU 7 -12.432 3.584 -33.892
44 HD13 LEU 7 HD13 LEU 7 -12.766 4.525 -35.346
45 HD21 LEU 7 HD21 LEU 7 -15.606 2.241 -36.385
46 HD22 LEU 7 HD22 LEU 7 -13.925 1.802 -36.696
47 HD23 LEU 7 HD23 LEU 7 -14.481 3.445 -37.016
48 H LYS 8 H LYS 8 -13.040 2.099 -31.138
49 HA LYS 8 HA LYS 8 -11.943 3.637 -29.804
50 HB2 LYS 8 HB2 LYS 8 -10.969 3.966 -32.096
51 HB3 LYS 8 HB3 LYS 8 -12.099 5.302 -32.325
52 HG2 LYS 8 HG2 LYS 8 -10.619 6.649 -31.294
53 HG3 LYS 8 HG3 LYS 8 -10.908 5.741 -29.809
54 HD2 LYS 8 HD2 LYS 8 -8.527 5.702 -30.264
55 HD3 LYS 8 HD3 LYS 8 -9.171 4.087 -30.562
56 HE2 LYS 8 HE2 LYS 8 -8.348 4.185 -32.653
57 HE3 LYS 8 HE3 LYS 8 -9.451 5.521 -32.989
58 HZ1 LYS 8 HZ1 LYS 8 -6.636 5.612 -32.131
59 HZ2 LYS 8 HZ2 LYS 8 -7.669 6.916 -31.785
60 HZ3 LYS 8 HZ3 LYS 8 -7.397 6.447 -33.396
61 HN1 NH2 9 HN1 NH2 9 -14.186 6.905 -30.558
62 HN2 NH2 9 HN2 NH2 9 -12.502 6.756 -30.703
63 H1 A2G 10 H1 A2G 10 -18.733 -1.135 -34.218
64 H2 A2G 10 H2 A2G 10 -17.757 -0.028 -36.184
65 HN2 A2G 10 HN2 A2G 10 -20.711 -0.188 -36.310
66 H3 A2G 10 H3 A2G 10 -19.479 -1.928 -37.799
67 HO3 A2G 10 HO3 A2G 10 -18.280 -0.939 -39.508
68 H4 A2G 10 H4 A2G 10 -17.396 -2.964 -38.502
69 HO4 A2G 10 HO4 A2G 10 -16.356 -0.717 -37.761
70 H5 A2G 10 H5 A2G 10 -18.404 -3.858 -36.451
71 H6 A2G 10 H6 A2G 10 -16.337 -4.771 -35.391
72 H8 A2G 10 H8 A2G 10 -21.613 1.906 -35.290
73 H8A A2G 10 H8A A2G 10 -21.554 2.253 -37.019
74 H8B A2G 10 H8B A2G 10 -20.796 3.356 -35.872
75 H14 A2G 10 H14 A2G 10 -16.271 -4.844 -37.151
76 H15 A2G 10 H15 A2G 10 -14.758 -3.393 -35.388
77 H1 A2G 11 H1 A2G 11 -17.977 0.472 -29.816
78 H2 A2G 11 H2 A2G 11 -16.031 -0.774 -28.982
79 HN2 A2G 11 HN2 A2G 11 -17.392 -2.188 -31.200
80 H3 A2G 11 H3 A2G 11 -17.913 -3.146 -28.862
81 HO3 A2G 11 HO3 A2G 11 -16.047 -4.082 -27.877
82 H4 A2G 11 H4 A2G 11 -17.687 -2.999 -26.447
83 HO4 A2G 11 HO4 A2G 11 -16.614 -0.684 -26.023
84 H5 A2G 11 H5 A2G 11 -19.493 -1.667 -27.443
85 H6 A2G 11 H6 A2G 11 -18.799 -1.480 -24.938
86 H8 A2G 11 H8 A2G 11 -16.269 -2.534 -33.033
87 H8A A2G 11 H8A A2G 11 -14.517 -2.347 -32.980
88 H8B A2G 11 H8B A2G 11 -15.533 -0.987 -33.453
89 H14 A2G 11 H14 A2G 11 -18.200 0.118 -25.383
90 H15 A2G 11 H15 A2G 11 -20.629 -0.258 -26.432