Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
536594 | 2li0 RC | 17873 | 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 -33.241 -8.947 -44.124
2 H2 ACE 1 H2 ACE 1 -31.974 -10.156 -43.912
3 H3 ACE 1 H3 ACE 1 -33.204 -10.376 -45.157
4 HA PRO 2 HA PRO 2 -30.351 -6.845 -46.727
5 HB2 PRO 2 HB2 PRO 2 -28.035 -6.648 -45.023
6 HB3 PRO 2 HB3 PRO 2 -29.295 -5.437 -45.303
7 HG2 PRO 2 HG2 PRO 2 -28.868 -6.792 -42.934
8 HG3 PRO 2 HG3 PRO 2 -30.353 -5.943 -43.385
9 HD2 PRO 2 HD2 PRO 2 -29.781 -8.869 -43.398
10 HD3 PRO 2 HD3 PRO 2 -31.321 -8.018 -43.140
11 H THR 3 H THR 3 -30.043 -9.870 -46.603
12 HA THR 3 HA THR 3 -27.660 -10.000 -48.278
13 HB THR 3 HB THR 3 -26.632 -10.476 -46.175
14 HG1 THR 3 HG1 THR 3 -25.929 -12.512 -46.582
15 HG21 THR 3 HG21 THR 3 -28.183 -10.948 -44.563
16 HG22 THR 3 HG22 THR 3 -27.777 -12.614 -44.977
17 HG23 THR 3 HG23 THR 3 -29.210 -11.856 -45.673
18 H THR 4 H THR 4 -27.401 -12.551 -48.821
19 HA THR 4 HA THR 4 -30.008 -13.821 -49.157
20 HB THR 4 HB THR 4 -29.420 -14.112 -51.666
21 HG1 THR 4 HG1 THR 4 -27.808 -11.940 -50.857
22 HG21 THR 4 HG21 THR 4 -30.650 -12.082 -52.216
23 HG22 THR 4 HG22 THR 4 -30.254 -11.383 -50.645
24 HG23 THR 4 HG23 THR 4 -31.321 -12.784 -50.744
25 H THR 5 H THR 5 -29.500 -15.847 -50.763
26 HA THR 5 HA THR 5 -26.916 -17.048 -50.106
27 HB THR 5 HB THR 5 -28.185 -19.140 -49.324
28 HG21 THR 5 HG21 THR 5 -27.730 -18.515 -47.172
29 HG22 THR 5 HG22 THR 5 -28.652 -17.018 -47.309
30 HG23 THR 5 HG23 THR 5 -27.015 -17.108 -47.960
31 HA PRO 6 HA PRO 6 -27.044 -18.892 -54.072
32 HB2 PRO 6 HB2 PRO 6 -26.733 -21.610 -53.174
33 HB3 PRO 6 HB3 PRO 6 -25.504 -20.539 -53.863
34 HG2 PRO 6 HG2 PRO 6 -26.000 -21.249 -51.078
35 HG3 PRO 6 HG3 PRO 6 -24.562 -20.537 -51.824
36 HD2 PRO 6 HD2 PRO 6 -26.245 -19.150 -50.154
37 HD3 PRO 6 HD3 PRO 6 -25.260 -18.377 -51.416
38 H LEU 7 H LEU 7 -29.412 -18.343 -54.031
39 HA LEU 7 HA LEU 7 -31.328 -20.349 -53.316
40 HB2 LEU 7 HB2 LEU 7 -32.949 -18.883 -54.439
41 HB3 LEU 7 HB3 LEU 7 -31.903 -17.955 -53.363
42 HG LEU 7 HG LEU 7 -30.600 -18.078 -55.886
43 HD11 LEU 7 HD11 LEU 7 -32.324 -16.957 -57.299
44 HD12 LEU 7 HD12 LEU 7 -33.523 -17.281 -56.046
45 HD13 LEU 7 HD13 LEU 7 -32.757 -18.620 -56.901
46 HD21 LEU 7 HD21 LEU 7 -30.419 -16.266 -54.228
47 HD22 LEU 7 HD22 LEU 7 -32.110 -15.842 -54.493
48 HD23 LEU 7 HD23 LEU 7 -30.933 -15.621 -55.787
49 H LYS 8 H LYS 8 -33.055 -20.379 -55.497
50 HA LYS 8 HA LYS 8 -31.801 -22.401 -57.132
51 HB2 LYS 8 HB2 LYS 8 -34.517 -21.227 -57.661
52 HB3 LYS 8 HB3 LYS 8 -33.950 -22.876 -57.929
53 HG2 LYS 8 HG2 LYS 8 -34.444 -21.553 -55.245
54 HG3 LYS 8 HG3 LYS 8 -35.395 -22.851 -55.968
55 HD2 LYS 8 HD2 LYS 8 -33.229 -24.216 -56.011
56 HD3 LYS 8 HD3 LYS 8 -32.551 -22.977 -54.954
57 HE2 LYS 8 HE2 LYS 8 -33.380 -24.439 -53.362
58 HE3 LYS 8 HE3 LYS 8 -34.792 -23.407 -53.589
59 HZ1 LYS 8 HZ1 LYS 8 -35.890 -25.000 -54.758
60 HZ2 LYS 8 HZ2 LYS 8 -34.959 -26.005 -53.754
61 HZ3 LYS 8 HZ3 LYS 8 -34.474 -25.717 -55.357
62 HN1 NH2 9 HN1 NH2 9 -30.828 -19.385 -59.147
63 HN2 NH2 9 HN2 NH2 9 -30.443 -19.961 -57.597
64 H1 A2G 10 H1 A2G 10 -30.144 -19.298 -50.690
65 H2 A2G 10 H2 A2G 10 -32.398 -20.013 -50.043
66 HN2 A2G 10 HN2 A2G 10 -32.088 -17.070 -50.085
67 H3 A2G 10 H3 A2G 10 -32.071 -18.128 -47.697
68 HO3 A2G 10 HO3 A2G 10 -34.107 -18.719 -47.230
69 H4 A2G 10 H4 A2G 10 -32.037 -20.126 -46.316
70 HO4 A2G 10 HO4 A2G 10 -33.292 -21.493 -47.537
71 H5 A2G 10 H5 A2G 10 -29.879 -19.343 -47.197
72 H6 A2G 10 H6 A2G 10 -30.272 -22.342 -47.084
73 H8 A2G 10 H8 A2G 10 -33.727 -16.830 -52.960
74 H8A A2G 10 H8A A2G 10 -34.881 -16.563 -51.655
75 H8B A2G 10 H8B A2G 10 -33.238 -15.936 -51.521
76 H14 A2G 10 H14 A2G 10 -28.680 -21.586 -47.160
77 H15 A2G 10 H15 A2G 10 -30.282 -21.916 -45.049
Start of MODEL 2
1 H1 ACE 1 H1 ACE 1 -33.164 -8.618 -49.479
2 H2 ACE 1 H2 ACE 1 -32.519 -7.164 -50.243
3 H3 ACE 1 H3 ACE 1 -33.418 -7.041 -48.730
4 HA PRO 2 HA PRO 2 -29.955 -7.345 -46.071
5 HB2 PRO 2 HB2 PRO 2 -30.441 -9.974 -44.997
6 HB3 PRO 2 HB3 PRO 2 -30.769 -8.406 -44.244
7 HG2 PRO 2 HG2 PRO 2 -32.595 -10.238 -45.599
8 HG3 PRO 2 HG3 PRO 2 -32.947 -8.916 -44.478
9 HD2 PRO 2 HD2 PRO 2 -33.521 -8.802 -47.154
10 HD3 PRO 2 HD3 PRO 2 -33.168 -7.361 -46.173
11 H THR 3 H THR 3 -30.453 -10.761 -46.979
12 HA THR 3 HA THR 3 -28.004 -10.766 -48.561
13 HB THR 3 HB THR 3 -26.933 -11.246 -46.535
14 HG1 THR 3 HG1 THR 3 -26.813 -12.949 -48.208
15 HG21 THR 3 HG21 THR 3 -28.583 -11.420 -44.914
16 HG22 THR 3 HG22 THR 3 -28.073 -13.104 -45.032
17 HG23 THR 3 HG23 THR 3 -29.535 -12.566 -45.858
18 H THR 4 H THR 4 -27.595 -13.203 -49.237
19 HA THR 4 HA THR 4 -30.077 -14.699 -49.573
20 HB THR 4 HB THR 4 -29.818 -14.781 -52.042
21 HG1 THR 4 HG1 THR 4 -27.674 -14.232 -52.243
22 HG21 THR 4 HG21 THR 4 -30.859 -12.677 -52.453
23 HG22 THR 4 HG22 THR 4 -30.021 -11.917 -51.101
24 HG23 THR 4 HG23 THR 4 -31.290 -13.102 -50.798
25 H THR 5 H THR 5 -29.609 -16.740 -50.907
26 HA THR 5 HA THR 5 -26.837 -17.648 -50.748
27 HB THR 5 HB THR 5 -27.921 -19.801 -49.588
28 HG21 THR 5 HG21 THR 5 -26.011 -18.371 -48.784
29 HG22 THR 5 HG22 THR 5 -27.033 -18.992 -47.487
30 HG23 THR 5 HG23 THR 5 -27.196 -17.315 -48.014
31 HA PRO 6 HA PRO 6 -27.539 -19.942 -54.393
32 HB2 PRO 6 HB2 PRO 6 -26.968 -22.546 -53.300
33 HB3 PRO 6 HB3 PRO 6 -25.918 -21.519 -54.289
34 HG2 PRO 6 HG2 PRO 6 -25.925 -21.940 -51.399
35 HG3 PRO 6 HG3 PRO 6 -24.653 -21.291 -52.444
36 HD2 PRO 6 HD2 PRO 6 -26.068 -19.749 -50.678
37 HD3 PRO 6 HD3 PRO 6 -25.363 -19.109 -52.179
38 H LEU 7 H LEU 7 -29.912 -19.371 -53.577
39 HA LEU 7 HA LEU 7 -31.518 -21.670 -54.132
40 HB2 LEU 7 HB2 LEU 7 -30.834 -21.614 -51.527
41 HB3 LEU 7 HB3 LEU 7 -32.249 -20.561 -51.479
42 HG LEU 7 HG LEU 7 -32.913 -22.900 -51.121
43 HD11 LEU 7 HD11 LEU 7 -34.620 -23.036 -52.874
44 HD12 LEU 7 HD12 LEU 7 -33.710 -21.902 -53.873
45 HD13 LEU 7 HD13 LEU 7 -34.429 -21.362 -52.355
46 HD21 LEU 7 HD21 LEU 7 -30.888 -23.495 -52.877
47 HD22 LEU 7 HD22 LEU 7 -32.312 -23.718 -53.893
48 HD23 LEU 7 HD23 LEU 7 -32.149 -24.629 -52.393
49 H LYS 8 H LYS 8 -31.182 -19.102 -55.268
50 HA LYS 8 HA LYS 8 -33.370 -17.404 -54.453
51 HB2 LYS 8 HB2 LYS 8 -32.747 -16.062 -56.425
52 HB3 LYS 8 HB3 LYS 8 -31.338 -16.440 -55.434
53 HG2 LYS 8 HG2 LYS 8 -30.907 -18.413 -56.951
54 HG3 LYS 8 HG3 LYS 8 -32.182 -17.801 -58.005
55 HD2 LYS 8 HD2 LYS 8 -30.372 -16.758 -58.983
56 HD3 LYS 8 HD3 LYS 8 -30.772 -15.542 -57.769
57 HE2 LYS 8 HE2 LYS 8 -29.128 -16.556 -56.222
58 HE3 LYS 8 HE3 LYS 8 -28.712 -17.746 -57.455
59 HZ1 LYS 8 HZ1 LYS 8 -28.622 -15.062 -58.441
60 HZ2 LYS 8 HZ2 LYS 8 -27.444 -16.283 -58.518
61 HZ3 LYS 8 HZ3 LYS 8 -27.562 -15.298 -57.138
62 HN1 NH2 9 HN1 NH2 9 -33.403 -20.321 -56.053
63 HN2 NH2 9 HN2 NH2 9 -34.742 -20.075 -57.068
64 H1 A2G 10 H1 A2G 10 -30.095 -19.707 -50.304
65 H2 A2G 10 H2 A2G 10 -32.286 -19.949 -49.192
66 HN2 A2G 10 HN2 A2G 10 -31.471 -17.115 -49.475
67 H3 A2G 10 H3 A2G 10 -31.168 -18.043 -47.120
68 HO3 A2G 10 HO3 A2G 10 -33.221 -19.023 -46.145
69 H4 A2G 10 H4 A2G 10 -31.126 -19.915 -45.593
70 HO4 A2G 10 HO4 A2G 10 -32.417 -21.495 -45.997
71 H5 A2G 10 H5 A2G 10 -29.127 -19.642 -47.014
72 H6 A2G 10 H6 A2G 10 -29.915 -22.551 -46.647
73 H8 A2G 10 H8 A2G 10 -33.278 -16.675 -52.202
74 H8A A2G 10 H8A A2G 10 -34.316 -16.278 -50.832
75 H8B A2G 10 H8B A2G 10 -32.607 -15.846 -50.798
76 H14 A2G 10 H14 A2G 10 -28.269 -21.949 -46.840
77 H15 A2G 10 H15 A2G 10 -30.045 -21.160 -44.778
Start of MODEL 3
1 H1 ACE 1 H1 ACE 1 -25.973 -6.764 -42.324
2 H2 ACE 1 H2 ACE 1 -26.372 -8.095 -41.238
3 H3 ACE 1 H3 ACE 1 -27.621 -6.948 -41.723
4 HA PRO 2 HA PRO 2 -27.327 -11.013 -44.355
5 HB2 PRO 2 HB2 PRO 2 -30.179 -11.161 -43.974
6 HB3 PRO 2 HB3 PRO 2 -28.940 -12.295 -43.417
7 HG2 PRO 2 HG2 PRO 2 -30.342 -10.200 -41.944
8 HG3 PRO 2 HG3 PRO 2 -29.451 -11.604 -41.340
9 HD2 PRO 2 HD2 PRO 2 -28.537 -9.033 -41.095
10 HD3 PRO 2 HD3 PRO 2 -27.458 -10.445 -41.194
11 H THR 3 H THR 3 -28.644 -11.367 -46.372
12 HA THR 3 HA THR 3 -30.074 -9.039 -47.390
13 HB THR 3 HB THR 3 -27.875 -10.010 -49.148
14 HG1 THR 3 HG1 THR 3 -26.956 -7.955 -47.800
15 HG21 THR 3 HG21 THR 3 -27.995 -7.782 -49.999
16 HG22 THR 3 HG22 THR 3 -28.882 -7.216 -48.583
17 HG23 THR 3 HG23 THR 3 -29.663 -8.293 -49.741
18 H THR 4 H THR 4 -28.429 -11.912 -48.733
19 HA THR 4 HA THR 4 -31.005 -13.107 -49.398
20 HB THR 4 HB THR 4 -29.327 -13.226 -51.745
21 HG1 THR 4 HG1 THR 4 -30.289 -10.688 -51.590
22 HG21 THR 4 HG21 THR 4 -32.061 -12.023 -51.233
23 HG22 THR 4 HG22 THR 4 -31.750 -13.710 -51.639
24 HG23 THR 4 HG23 THR 4 -31.397 -12.442 -52.812
25 H THR 5 H THR 5 -30.256 -15.128 -51.005
26 HA THR 5 HA THR 5 -27.876 -16.407 -49.887
27 HB THR 5 HB THR 5 -29.247 -18.474 -49.358
28 HG21 THR 5 HG21 THR 5 -30.271 -16.282 -47.615
29 HG22 THR 5 HG22 THR 5 -28.521 -16.439 -47.767
30 HG23 THR 5 HG23 THR 5 -29.479 -17.794 -47.170
31 HA PRO 6 HA PRO 6 -27.180 -18.173 -53.817
32 HB2 PRO 6 HB2 PRO 6 -27.242 -20.925 -52.971
33 HB3 PRO 6 HB3 PRO 6 -25.827 -19.917 -53.313
34 HG2 PRO 6 HG2 PRO 6 -27.017 -20.645 -50.747
35 HG3 PRO 6 HG3 PRO 6 -25.399 -20.028 -51.109
36 HD2 PRO 6 HD2 PRO 6 -27.317 -18.543 -49.836
37 HD3 PRO 6 HD3 PRO 6 -26.034 -17.823 -50.835
38 H LEU 7 H LEU 7 -28.765 -18.167 -55.302
39 HA LEU 7 HA LEU 7 -31.392 -19.184 -54.786
40 HB2 LEU 7 HB2 LEU 7 -31.083 -17.279 -56.269
41 HB3 LEU 7 HB3 LEU 7 -30.086 -18.250 -57.353
42 HG LEU 7 HG LEU 7 -32.691 -19.472 -56.765
43 HD11 LEU 7 HD11 LEU 7 -33.831 -17.849 -58.399
44 HD12 LEU 7 HD12 LEU 7 -32.502 -16.743 -58.054
45 HD13 LEU 7 HD13 LEU 7 -33.577 -17.262 -56.756
46 HD21 LEU 7 HD21 LEU 7 -32.609 -19.977 -59.097
47 HD22 LEU 7 HD22 LEU 7 -30.939 -20.085 -58.539
48 HD23 LEU 7 HD23 LEU 7 -31.485 -18.656 -59.418
49 H LYS 8 H LYS 8 -32.362 -21.041 -55.490
50 HA LYS 8 HA LYS 8 -31.068 -22.840 -57.337
51 HB2 LYS 8 HB2 LYS 8 -30.807 -24.702 -55.764
52 HB3 LYS 8 HB3 LYS 8 -29.812 -23.333 -55.271
53 HG2 LYS 8 HG2 LYS 8 -31.869 -22.646 -53.831
54 HG3 LYS 8 HG3 LYS 8 -32.386 -24.317 -54.060
55 HD2 LYS 8 HD2 LYS 8 -29.765 -23.391 -52.852
56 HD3 LYS 8 HD3 LYS 8 -31.097 -24.171 -52.000
57 HE2 LYS 8 HE2 LYS 8 -29.285 -25.375 -54.101
58 HE3 LYS 8 HE3 LYS 8 -29.505 -25.900 -52.432
59 HZ1 LYS 8 HZ1 LYS 8 -31.835 -26.408 -52.989
60 HZ2 LYS 8 HZ2 LYS 8 -30.728 -27.340 -53.879
61 HZ3 LYS 8 HZ3 LYS 8 -31.518 -26.025 -54.609
62 HN1 NH2 9 HN1 NH2 9 -32.697 -24.529 -58.069
63 HN2 NH2 9 HN2 NH2 9 -34.238 -23.819 -58.007
64 H1 A2G 10 H1 A2G 10 -30.699 -18.819 -51.103
65 H2 A2G 10 H2 A2G 10 -33.064 -19.528 -51.168
66 HN2 A2G 10 HN2 A2G 10 -32.828 -16.584 -51.367
67 H3 A2G 10 H3 A2G 10 -33.508 -17.378 -49.082
68 HO3 A2G 10 HO3 A2G 10 -35.484 -17.647 -49.670
69 H4 A2G 10 H4 A2G 10 -33.886 -19.160 -47.496
70 HO4 A2G 10 HO4 A2G 10 -34.573 -20.569 -49.406
71 H5 A2G 10 H5 A2G 10 -31.536 -18.470 -47.796
72 H6 A2G 10 H6 A2G 10 -31.718 -21.487 -47.533
73 H8 A2G 10 H8 A2G 10 -32.817 -16.583 -54.648
74 H8A A2G 10 H8A A2G 10 -34.515 -16.521 -54.181
75 H8B A2G 10 H8B A2G 10 -33.310 -15.637 -53.244
76 H14 A2G 10 H14 A2G 10 -30.493 -20.430 -46.830
77 H15 A2G 10 H15 A2G 10 -33.032 -21.001 -45.978
Start of MODEL 4
1 H1 ACE 1 H1 ACE 1 -32.946 -10.408 -45.202
2 H2 ACE 1 H2 ACE 1 -33.548 -8.763 -45.411
3 H3 ACE 1 H3 ACE 1 -33.214 -9.382 -43.793
4 HA PRO 2 HA PRO 2 -29.071 -7.988 -43.572
5 HB2 PRO 2 HB2 PRO 2 -27.729 -10.530 -43.752
6 HB3 PRO 2 HB3 PRO 2 -28.040 -9.556 -42.307
7 HG2 PRO 2 HG2 PRO 2 -29.457 -11.905 -43.309
8 HG3 PRO 2 HG3 PRO 2 -29.455 -11.191 -41.690
9 HD2 PRO 2 HD2 PRO 2 -31.611 -11.072 -43.374
10 HD3 PRO 2 HD3 PRO 2 -31.273 -9.838 -42.139
11 H THR 3 H THR 3 -29.158 -10.801 -45.781
12 HA THR 3 HA THR 3 -28.195 -9.137 -47.973
13 HB THR 3 HB THR 3 -26.647 -11.599 -47.142
14 HG1 THR 3 HG1 THR 3 -26.606 -9.218 -46.072
15 HG21 THR 3 HG21 THR 3 -25.634 -11.403 -49.139
16 HG22 THR 3 HG22 THR 3 -25.305 -9.694 -48.849
17 HG23 THR 3 HG23 THR 3 -26.836 -10.187 -49.573
18 H THR 4 H THR 4 -27.332 -12.188 -48.724
19 HA THR 4 HA THR 4 -29.984 -13.215 -49.371
20 HB THR 4 HB THR 4 -28.555 -13.428 -51.795
21 HG1 THR 4 HG1 THR 4 -28.194 -11.028 -50.453
22 HG21 THR 4 HG21 THR 4 -30.422 -11.992 -52.619
23 HG22 THR 4 HG22 THR 4 -30.875 -11.673 -50.944
24 HG23 THR 4 HG23 THR 4 -30.980 -13.311 -51.590
25 H THR 5 H THR 5 -29.565 -15.280 -50.876
26 HA THR 5 HA THR 5 -27.132 -16.695 -50.084
27 HB THR 5 HB THR 5 -28.572 -18.656 -49.313
28 HG21 THR 5 HG21 THR 5 -29.073 -16.400 -47.438
29 HG22 THR 5 HG22 THR 5 -27.398 -16.672 -47.914
30 HG23 THR 5 HG23 THR 5 -28.315 -17.963 -47.139
31 HA PRO 6 HA PRO 6 -27.159 -18.597 -54.012
32 HB2 PRO 6 HB2 PRO 6 -27.274 -21.318 -53.075
33 HB3 PRO 6 HB3 PRO 6 -25.865 -20.420 -53.659
34 HG2 PRO 6 HG2 PRO 6 -26.697 -21.003 -50.921
35 HG3 PRO 6 HG3 PRO 6 -25.115 -20.509 -51.541
36 HD2 PRO 6 HD2 PRO 6 -26.713 -18.864 -50.046
37 HD3 PRO 6 HD3 PRO 6 -25.552 -18.260 -51.250
38 H LEU 7 H LEU 7 -29.089 -18.230 -55.016
39 HA LEU 7 HA LEU 7 -31.575 -19.328 -54.113
40 HB2 LEU 7 HB2 LEU 7 -32.520 -18.327 -56.106
41 HB3 LEU 7 HB3 LEU 7 -31.370 -17.194 -55.395
42 HG LEU 7 HG LEU 7 -29.777 -18.707 -57.077
43 HD11 LEU 7 HD11 LEU 7 -32.364 -18.083 -58.530
44 HD12 LEU 7 HD12 LEU 7 -31.892 -19.702 -58.013
45 HD13 LEU 7 HD13 LEU 7 -30.922 -18.840 -59.208
46 HD21 LEU 7 HD21 LEU 7 -31.226 -16.103 -57.659
47 HD22 LEU 7 HD22 LEU 7 -29.775 -16.668 -58.485
48 HD23 LEU 7 HD23 LEU 7 -29.711 -16.260 -56.770
49 H LYS 8 H LYS 8 -32.979 -20.544 -55.780
50 HA LYS 8 HA LYS 8 -31.600 -22.375 -57.533
51 HB2 LYS 8 HB2 LYS 8 -32.141 -24.417 -56.346
52 HB3 LYS 8 HB3 LYS 8 -31.189 -23.379 -55.283
53 HG2 LYS 8 HG2 LYS 8 -33.509 -22.494 -54.472
54 HG3 LYS 8 HG3 LYS 8 -34.137 -23.981 -55.185
55 HD2 LYS 8 HD2 LYS 8 -31.998 -23.774 -53.045
56 HD3 LYS 8 HD3 LYS 8 -33.641 -24.379 -52.832
57 HE2 LYS 8 HE2 LYS 8 -31.381 -25.630 -54.393
58 HE3 LYS 8 HE3 LYS 8 -32.320 -26.333 -53.077
59 HZ1 LYS 8 HZ1 LYS 8 -33.006 -26.026 -55.895
60 HZ2 LYS 8 HZ2 LYS 8 -34.266 -25.836 -54.772
61 HZ3 LYS 8 HZ3 LYS 8 -33.377 -27.283 -54.820
62 HN1 NH2 9 HN1 NH2 9 -34.829 -22.007 -55.774
63 HN2 NH2 9 HN2 NH2 9 -35.471 -21.465 -57.249
64 H1 A2G 10 H1 A2G 10 -30.347 -18.857 -50.770
65 H2 A2G 10 H2 A2G 10 -32.738 -19.342 -50.384
66 HN2 A2G 10 HN2 A2G 10 -32.181 -16.452 -50.721
67 H3 A2G 10 H3 A2G 10 -32.585 -17.163 -48.287
68 HO3 A2G 10 HO3 A2G 10 -34.600 -18.868 -49.290
69 H4 A2G 10 H4 A2G 10 -32.825 -18.905 -46.631
70 HO4 A2G 10 HO4 A2G 10 -34.051 -20.391 -47.691
71 H5 A2G 10 H5 A2G 10 -30.519 -18.439 -47.375
72 H6 A2G 10 H6 A2G 10 -31.030 -21.405 -46.966
73 H8 A2G 10 H8 A2G 10 -33.018 -16.506 -53.894
74 H8A A2G 10 H8A A2G 10 -34.490 -16.082 -53.018
75 H8B A2G 10 H8B A2G 10 -32.932 -15.457 -52.479
76 H14 A2G 10 H14 A2G 10 -29.501 -20.574 -46.683
77 H15 A2G 10 H15 A2G 10 -31.960 -20.041 -45.375
Start of MODEL 5
1 H1 ACE 1 H1 ACE 1 -27.896 -5.110 -45.635
2 H2 ACE 1 H2 ACE 1 -27.259 -6.374 -44.583
3 H3 ACE 1 H3 ACE 1 -28.727 -5.506 -44.131
4 HA PRO 2 HA PRO 2 -30.135 -7.869 -48.189
5 HB2 PRO 2 HB2 PRO 2 -28.065 -9.807 -48.692
6 HB3 PRO 2 HB3 PRO 2 -28.628 -8.506 -49.752
7 HG2 PRO 2 HG2 PRO 2 -26.266 -8.619 -48.038
8 HG3 PRO 2 HG3 PRO 2 -26.619 -7.556 -49.409
9 HD2 PRO 2 HD2 PRO 2 -26.570 -6.685 -46.812
10 HD3 PRO 2 HD3 PRO 2 -27.574 -5.931 -48.072
11 H THR 3 H THR 3 -30.777 -10.243 -48.446
12 HA THR 3 HA THR 3 -30.293 -11.918 -46.108
13 HB THR 3 HB THR 3 -32.116 -10.703 -45.211
14 HG1 THR 3 HG1 THR 3 -32.699 -12.724 -44.860
15 HG21 THR 3 HG21 THR 3 -33.375 -10.971 -47.953
16 HG22 THR 3 HG22 THR 3 -32.790 -9.487 -47.203
17 HG23 THR 3 HG23 THR 3 -34.201 -10.313 -46.541
18 H THR 4 H THR 4 -29.301 -12.869 -48.187
19 HA THR 4 HA THR 4 -31.142 -14.921 -49.141
20 HB THR 4 HB THR 4 -30.301 -14.500 -51.527
21 HG1 THR 4 HG1 THR 4 -30.044 -11.837 -50.843
22 HG21 THR 4 HG21 THR 4 -32.071 -12.382 -50.280
23 HG22 THR 4 HG22 THR 4 -32.608 -14.010 -50.688
24 HG23 THR 4 HG23 THR 4 -32.083 -12.910 -51.962
25 H THR 5 H THR 5 -29.899 -16.524 -50.564
26 HA THR 5 HA THR 5 -27.035 -16.640 -50.001
27 HB THR 5 HB THR 5 -27.560 -19.151 -49.274
28 HG21 THR 5 HG21 THR 5 -27.973 -16.915 -47.284
29 HG22 THR 5 HG22 THR 5 -26.397 -17.245 -48.005
30 HG23 THR 5 HG23 THR 5 -27.191 -18.474 -47.022
31 HA PRO 6 HA PRO 6 -26.461 -18.485 -53.905
32 HB2 PRO 6 HB2 PRO 6 -25.402 -21.008 -53.002
33 HB3 PRO 6 HB3 PRO 6 -24.517 -19.616 -53.643
34 HG2 PRO 6 HG2 PRO 6 -24.895 -20.469 -50.876
35 HG3 PRO 6 HG3 PRO 6 -23.688 -19.377 -51.566
36 HD2 PRO 6 HD2 PRO 6 -25.740 -18.520 -49.969
37 HD3 PRO 6 HD3 PRO 6 -24.992 -17.501 -51.221
38 H LEU 7 H LEU 7 -28.791 -18.691 -54.197
39 HA LEU 7 HA LEU 7 -29.572 -21.373 -54.814
40 HB2 LEU 7 HB2 LEU 7 -30.238 -20.367 -52.197
41 HB3 LEU 7 HB3 LEU 7 -31.709 -20.618 -53.137
42 HG LEU 7 HG LEU 7 -29.535 -22.706 -53.062
43 HD11 LEU 7 HD11 LEU 7 -30.182 -22.227 -50.727
44 HD12 LEU 7 HD12 LEU 7 -30.784 -23.804 -51.237
45 HD13 LEU 7 HD13 LEU 7 -31.881 -22.425 -51.157
46 HD21 LEU 7 HD21 LEU 7 -31.265 -22.910 -54.791
47 HD22 LEU 7 HD22 LEU 7 -32.527 -22.766 -53.569
48 HD23 LEU 7 HD23 LEU 7 -31.472 -24.179 -53.584
49 H LYS 8 H LYS 8 -32.216 -21.209 -55.116
50 HA LYS 8 HA LYS 8 -33.068 -18.663 -56.172
51 HB2 LYS 8 HB2 LYS 8 -31.572 -19.554 -57.980
52 HB3 LYS 8 HB3 LYS 8 -32.660 -20.933 -58.130
53 HG2 LYS 8 HG2 LYS 8 -33.282 -19.270 -59.791
54 HG3 LYS 8 HG3 LYS 8 -34.542 -19.336 -58.557
55 HD2 LYS 8 HD2 LYS 8 -34.059 -17.247 -57.758
56 HD3 LYS 8 HD3 LYS 8 -32.329 -17.421 -58.054
57 HE2 LYS 8 HE2 LYS 8 -33.499 -15.729 -59.539
58 HE3 LYS 8 HE3 LYS 8 -32.602 -16.979 -60.401
59 HZ1 LYS 8 HZ1 LYS 8 -34.583 -18.150 -60.860
60 HZ2 LYS 8 HZ2 LYS 8 -34.902 -16.525 -61.240
61 HZ3 LYS 8 HZ3 LYS 8 -35.495 -17.196 -59.796
62 HN1 NH2 9 HN1 NH2 9 -35.266 -22.095 -56.503
63 HN2 NH2 9 HN2 NH2 9 -33.812 -22.164 -55.630
64 H1 A2G 10 H1 A2G 10 -29.426 -19.848 -50.181
65 H2 A2G 10 H2 A2G 10 -31.576 -20.825 -49.487
66 HN2 A2G 10 HN2 A2G 10 -31.670 -17.883 -49.804
67 H3 A2G 10 H3 A2G 10 -31.619 -18.682 -47.349
68 HO3 A2G 10 HO3 A2G 10 -33.475 -19.748 -46.741
69 H4 A2G 10 H4 A2G 10 -31.207 -20.423 -45.733
70 HO4 A2G 10 HO4 A2G 10 -31.366 -22.475 -46.219
71 H5 A2G 10 H5 A2G 10 -29.188 -19.466 -46.778
72 H6 A2G 10 H6 A2G 10 -28.882 -22.468 -46.484
73 H8 A2G 10 H8 A2G 10 -33.127 -18.143 -52.786
74 H8A A2G 10 H8A A2G 10 -34.376 -17.916 -51.562
75 H8B A2G 10 H8B A2G 10 -32.840 -17.061 -51.423
76 H14 A2G 10 H14 A2G 10 -27.647 -21.240 -46.206
77 H15 A2G 10 H15 A2G 10 -28.746 -22.064 -44.293
Start of MODEL 6
1 H1 ACE 1 H1 ACE 1 -25.850 -13.143 -47.085
2 H2 ACE 1 H2 ACE 1 -26.956 -14.515 -47.162
3 H3 ACE 1 H3 ACE 1 -25.972 -14.255 -45.720
4 HA PRO 2 HA PRO 2 -28.892 -11.824 -43.549
5 HB2 PRO 2 HB2 PRO 2 -27.584 -9.265 -43.733
6 HB3 PRO 2 HB3 PRO 2 -27.620 -10.379 -42.358
7 HG2 PRO 2 HG2 PRO 2 -25.521 -9.934 -44.339
8 HG3 PRO 2 HG3 PRO 2 -25.426 -10.689 -42.742
9 HD2 PRO 2 HD2 PRO 2 -25.206 -12.100 -45.080
10 HD3 PRO 2 HD3 PRO 2 -25.832 -12.807 -43.573
11 H THR 3 H THR 3 -27.704 -10.548 -46.592
12 HA THR 3 HA THR 3 -30.027 -8.822 -46.955
13 HB THR 3 HB THR 3 -28.940 -8.273 -49.127
14 HG1 THR 3 HG1 THR 3 -27.658 -10.532 -48.584
15 HG21 THR 3 HG21 THR 3 -28.058 -6.704 -47.765
16 HG22 THR 3 HG22 THR 3 -26.612 -7.714 -47.716
17 HG23 THR 3 HG23 THR 3 -27.835 -7.863 -46.454
18 H THR 4 H THR 4 -28.523 -11.504 -48.777
19 HA THR 4 HA THR 4 -31.165 -12.604 -49.343
20 HB THR 4 HB THR 4 -30.011 -12.710 -51.852
21 HG1 THR 4 HG1 THR 4 -29.316 -10.367 -50.494
22 HG21 THR 4 HG21 THR 4 -31.994 -10.715 -50.722
23 HG22 THR 4 HG22 THR 4 -32.376 -12.316 -51.359
24 HG23 THR 4 HG23 THR 4 -31.771 -11.058 -52.438
25 H THR 5 H THR 5 -30.726 -14.568 -50.993
26 HA THR 5 HA THR 5 -28.218 -15.930 -50.338
27 HB THR 5 HB THR 5 -29.399 -17.940 -49.534
28 HG21 THR 5 HG21 THR 5 -29.710 -17.166 -47.355
29 HG22 THR 5 HG22 THR 5 -30.472 -15.668 -47.890
30 HG23 THR 5 HG23 THR 5 -28.727 -15.875 -48.046
31 HA PRO 6 HA PRO 6 -28.212 -17.568 -54.374
32 HB2 PRO 6 HB2 PRO 6 -28.247 -20.352 -53.636
33 HB3 PRO 6 HB3 PRO 6 -26.865 -19.374 -54.154
34 HG2 PRO 6 HG2 PRO 6 -27.675 -20.177 -51.465
35 HG3 PRO 6 HG3 PRO 6 -26.108 -19.596 -52.048
36 HD2 PRO 6 HD2 PRO 6 -27.752 -18.109 -50.437
37 HD3 PRO 6 HD3 PRO 6 -26.610 -17.387 -51.594
38 H LEU 7 H LEU 7 -29.369 -19.351 -55.764
39 HA LEU 7 HA LEU 7 -32.188 -18.919 -55.500
40 HB2 LEU 7 HB2 LEU 7 -30.456 -20.483 -57.397
41 HB3 LEU 7 HB3 LEU 7 -32.213 -20.636 -57.445
42 HG LEU 7 HG LEU 7 -31.280 -18.873 -58.996
43 HD11 LEU 7 HD11 LEU 7 -32.862 -17.239 -57.161
44 HD12 LEU 7 HD12 LEU 7 -33.550 -18.847 -57.385
45 HD13 LEU 7 HD13 LEU 7 -33.263 -17.808 -58.781
46 HD21 LEU 7 HD21 LEU 7 -30.817 -17.292 -56.459
47 HD22 LEU 7 HD22 LEU 7 -30.339 -16.875 -58.105
48 HD23 LEU 7 HD23 LEU 7 -29.518 -18.184 -57.254
49 H LYS 8 H LYS 8 -30.590 -20.557 -53.446
50 HA LYS 8 HA LYS 8 -32.673 -22.487 -52.950
51 HB2 LYS 8 HB2 LYS 8 -31.144 -24.451 -52.919
52 HB3 LYS 8 HB3 LYS 8 -31.369 -23.787 -54.537
53 HG2 LYS 8 HG2 LYS 8 -29.181 -22.430 -53.247
54 HG3 LYS 8 HG3 LYS 8 -28.922 -24.173 -53.162
55 HD2 LYS 8 HD2 LYS 8 -29.643 -22.680 -55.701
56 HD3 LYS 8 HD3 LYS 8 -28.001 -23.142 -55.253
57 HE2 LYS 8 HE2 LYS 8 -28.330 -25.232 -56.017
58 HE3 LYS 8 HE3 LYS 8 -29.755 -25.418 -54.994
59 HZ1 LYS 8 HZ1 LYS 8 -29.765 -25.290 -57.701
60 HZ2 LYS 8 HZ2 LYS 8 -30.194 -23.707 -57.256
61 HZ3 LYS 8 HZ3 LYS 8 -31.110 -25.025 -56.700
62 HN1 NH2 9 HN1 NH2 9 -31.447 -20.464 -50.558
63 HN2 NH2 9 HN2 NH2 9 -32.575 -21.697 -50.259
64 H1 A2G 10 H1 A2G 10 -30.857 -18.622 -51.043
65 H2 A2G 10 H2 A2G 10 -33.177 -19.467 -51.043
66 HN2 A2G 10 HN2 A2G 10 -33.100 -16.559 -51.593
67 H3 A2G 10 H3 A2G 10 -33.774 -17.112 -49.234
68 HO3 A2G 10 HO3 A2G 10 -35.343 -18.106 -50.804
69 H4 A2G 10 H4 A2G 10 -34.076 -18.711 -47.448
70 HO4 A2G 10 HO4 A2G 10 -33.451 -20.628 -49.442
71 H5 A2G 10 H5 A2G 10 -31.764 -17.929 -47.809
72 H6 A2G 10 H6 A2G 10 -31.766 -20.898 -47.191
73 H8 A2G 10 H8 A2G 10 -33.011 -16.949 -54.839
74 H8A A2G 10 H8A A2G 10 -34.727 -16.929 -54.428
75 H8B A2G 10 H8B A2G 10 -33.603 -15.873 -53.574
76 H14 A2G 10 H14 A2G 10 -30.632 -19.685 -46.596
77 H15 A2G 10 H15 A2G 10 -32.004 -19.138 -45.117
Start of MODEL 7
1 H1 ACE 1 H1 ACE 1 -26.199 -4.789 -44.972
2 H2 ACE 1 H2 ACE 1 -26.098 -5.203 -43.261
3 H3 ACE 1 H3 ACE 1 -27.465 -4.264 -43.862
4 HA PRO 2 HA PRO 2 -30.088 -7.669 -44.682
5 HB2 PRO 2 HB2 PRO 2 -30.030 -7.605 -47.561
6 HB3 PRO 2 HB3 PRO 2 -31.295 -7.005 -46.478
7 HG2 PRO 2 HG2 PRO 2 -29.192 -5.539 -47.878
8 HG3 PRO 2 HG3 PRO 2 -30.700 -4.948 -47.165
9 HD2 PRO 2 HD2 PRO 2 -28.234 -4.420 -46.099
10 HD3 PRO 2 HD3 PRO 2 -29.717 -4.507 -45.122
11 H THR 3 H THR 3 -30.212 -9.825 -45.843
12 HA THR 3 HA THR 3 -27.698 -10.814 -46.938
13 HB THR 3 HB THR 3 -26.983 -11.540 -44.922
14 HG1 THR 3 HG1 THR 3 -28.172 -13.385 -46.041
15 HG21 THR 3 HG21 THR 3 -28.602 -11.786 -42.964
16 HG22 THR 3 HG22 THR 3 -29.842 -11.130 -44.032
17 HG23 THR 3 HG23 THR 3 -28.429 -10.158 -43.619
18 H THR 4 H THR 4 -27.908 -12.826 -47.999
19 HA THR 4 HA THR 4 -30.542 -14.074 -48.121
20 HB THR 4 HB THR 4 -29.508 -13.559 -50.811
21 HG1 THR 4 HG1 THR 4 -29.001 -11.561 -50.129
22 HG21 THR 4 HG21 THR 4 -31.751 -14.529 -50.100
23 HG22 THR 4 HG22 THR 4 -31.830 -13.215 -51.274
24 HG23 THR 4 HG23 THR 4 -32.189 -12.904 -49.576
25 H THR 5 H THR 5 -30.214 -15.682 -50.292
26 HA THR 5 HA THR 5 -27.611 -17.000 -50.089
27 HB THR 5 HB THR 5 -28.695 -19.214 -49.653
28 HG21 THR 5 HG21 THR 5 -29.452 -17.395 -47.394
29 HG22 THR 5 HG22 THR 5 -27.759 -17.466 -47.891
30 HG23 THR 5 HG23 THR 5 -28.582 -18.932 -47.350
31 HA PRO 6 HA PRO 6 -27.836 -17.909 -54.348
32 HB2 PRO 6 HB2 PRO 6 -27.770 -20.780 -54.085
33 HB3 PRO 6 HB3 PRO 6 -26.449 -19.690 -54.534
34 HG2 PRO 6 HG2 PRO 6 -27.061 -20.915 -51.944
35 HG3 PRO 6 HG3 PRO 6 -25.535 -20.250 -52.549
36 HD2 PRO 6 HD2 PRO 6 -26.991 -19.005 -50.617
37 HD3 PRO 6 HD3 PRO 6 -26.017 -18.101 -51.800
38 H LEU 7 H LEU 7 -29.600 -17.820 -55.593
39 HA LEU 7 HA LEU 7 -32.150 -18.760 -54.693
40 HB2 LEU 7 HB2 LEU 7 -31.384 -17.812 -57.462
41 HB3 LEU 7 HB3 LEU 7 -33.003 -17.856 -56.761
42 HG LEU 7 HG LEU 7 -31.589 -16.409 -54.886
43 HD11 LEU 7 HD11 LEU 7 -30.751 -15.342 -57.587
44 HD12 LEU 7 HD12 LEU 7 -29.708 -16.406 -56.644
45 HD13 LEU 7 HD13 LEU 7 -30.188 -14.841 -55.993
46 HD21 LEU 7 HD21 LEU 7 -32.817 -14.474 -55.808
47 HD22 LEU 7 HD22 LEU 7 -33.839 -15.912 -55.786
48 HD23 LEU 7 HD23 LEU 7 -33.112 -15.369 -57.299
49 H LYS 8 H LYS 8 -32.052 -20.994 -54.447
50 HA LYS 8 HA LYS 8 -31.159 -22.705 -56.595
51 HB2 LYS 8 HB2 LYS 8 -31.065 -23.221 -54.085
52 HB3 LYS 8 HB3 LYS 8 -32.791 -23.559 -54.209
53 HG2 LYS 8 HG2 LYS 8 -32.132 -25.658 -54.773
54 HG3 LYS 8 HG3 LYS 8 -31.798 -24.952 -56.356
55 HD2 LYS 8 HD2 LYS 8 -29.477 -24.400 -55.520
56 HD3 LYS 8 HD3 LYS 8 -29.840 -25.350 -54.078
57 HE2 LYS 8 HE2 LYS 8 -28.696 -26.802 -55.631
58 HE3 LYS 8 HE3 LYS 8 -30.391 -27.289 -55.599
59 HZ1 LYS 8 HZ1 LYS 8 -29.538 -25.280 -57.556
60 HZ2 LYS 8 HZ2 LYS 8 -30.778 -26.435 -57.663
61 HZ3 LYS 8 HZ3 LYS 8 -29.157 -26.906 -57.849
62 HN1 NH2 9 HN1 NH2 9 -35.221 -23.028 -56.252
63 HN2 NH2 9 HN2 NH2 9 -34.455 -21.866 -55.281
64 H1 A2G 10 H1 A2G 10 -30.480 -19.444 -51.109
65 H2 A2G 10 H2 A2G 10 -32.763 -20.346 -50.833
66 HN2 A2G 10 HN2 A2G 10 -32.640 -17.396 -50.611
67 H3 A2G 10 H3 A2G 10 -32.872 -18.613 -48.353
68 HO3 A2G 10 HO3 A2G 10 -34.862 -18.852 -49.278
69 H4 A2G 10 H4 A2G 10 -32.824 -20.655 -47.069
70 HO4 A2G 10 HO4 A2G 10 -32.884 -21.853 -49.625
71 H5 A2G 10 H5 A2G 10 -30.628 -19.741 -47.698
72 H6 A2G 10 H6 A2G 10 -30.728 -22.773 -47.874
73 H8 A2G 10 H8 A2G 10 -33.554 -16.968 -53.735
74 H8A A2G 10 H8A A2G 10 -35.045 -16.946 -52.794
75 H8B A2G 10 H8B A2G 10 -33.581 -16.207 -52.144
76 H14 A2G 10 H14 A2G 10 -29.306 -21.816 -47.460
77 H15 A2G 10 H15 A2G 10 -31.755 -21.734 -46.041
Start of MODEL 8
1 H1 ACE 1 H1 ACE 1 -30.504 -5.569 -48.913
2 H2 ACE 1 H2 ACE 1 -29.706 -4.951 -47.466
3 H3 ACE 1 H3 ACE 1 -31.468 -5.002 -47.551
4 HA PRO 2 HA PRO 2 -31.939 -8.966 -45.760
5 HB2 PRO 2 HB2 PRO 2 -32.775 -10.422 -48.102
6 HB3 PRO 2 HB3 PRO 2 -33.777 -9.803 -46.780
7 HG2 PRO 2 HG2 PRO 2 -33.322 -8.698 -49.445
8 HG3 PRO 2 HG3 PRO 2 -34.621 -8.366 -48.289
9 HD2 PRO 2 HD2 PRO 2 -32.645 -6.562 -48.879
10 HD3 PRO 2 HD3 PRO 2 -33.481 -6.610 -47.310
11 H THR 3 H THR 3 -31.300 -11.371 -46.074
12 HA THR 3 HA THR 3 -28.527 -11.412 -46.979
13 HB THR 3 HB THR 3 -30.169 -13.522 -45.556
14 HG1 THR 3 HG1 THR 3 -28.724 -11.309 -44.761
15 HG21 THR 3 HG21 THR 3 -28.400 -14.683 -46.568
16 HG22 THR 3 HG22 THR 3 -27.741 -14.274 -44.985
17 HG23 THR 3 HG23 THR 3 -27.288 -13.325 -46.401
18 H THR 4 H THR 4 -27.744 -13.353 -48.177
19 HA THR 4 HA THR 4 -29.702 -14.657 -49.902
20 HB THR 4 HB THR 4 -27.748 -13.830 -51.721
21 HG1 THR 4 HG1 THR 4 -28.572 -11.417 -51.024
22 HG21 THR 4 HG21 THR 4 -29.656 -12.442 -52.616
23 HG22 THR 4 HG22 THR 4 -30.558 -12.856 -51.158
24 HG23 THR 4 HG23 THR 4 -30.074 -14.123 -52.285
25 H THR 5 H THR 5 -28.914 -16.536 -50.892
26 HA THR 5 HA THR 5 -26.125 -17.291 -50.458
27 HB THR 5 HB THR 5 -27.204 -19.572 -49.559
28 HG21 THR 5 HG21 THR 5 -25.479 -18.085 -48.467
29 HG22 THR 5 HG22 THR 5 -26.584 -18.865 -47.335
30 HG23 THR 5 HG23 THR 5 -26.808 -17.167 -47.761
31 HA PRO 6 HA PRO 6 -26.246 -19.394 -54.275
32 HB2 PRO 6 HB2 PRO 6 -25.668 -22.030 -53.269
33 HB3 PRO 6 HB3 PRO 6 -24.564 -20.894 -54.058
34 HG2 PRO 6 HG2 PRO 6 -24.901 -21.497 -51.220
35 HG3 PRO 6 HG3 PRO 6 -23.549 -20.723 -52.058
36 HD2 PRO 6 HD2 PRO 6 -25.254 -19.365 -50.400
37 HD3 PRO 6 HD3 PRO 6 -24.408 -18.598 -51.762
38 H LEU 7 H LEU 7 -28.663 -19.035 -54.109
39 HA LEU 7 HA LEU 7 -30.031 -21.471 -54.721
40 HB2 LEU 7 HB2 LEU 7 -29.940 -21.280 -52.109
41 HB3 LEU 7 HB3 LEU 7 -31.200 -20.068 -52.342
42 HG LEU 7 HG LEU 7 -32.204 -21.967 -53.932
43 HD11 LEU 7 HD11 LEU 7 -30.657 -23.498 -51.818
44 HD12 LEU 7 HD12 LEU 7 -30.296 -23.500 -53.545
45 HD13 LEU 7 HD13 LEU 7 -31.809 -24.193 -52.959
46 HD21 LEU 7 HD21 LEU 7 -33.456 -22.797 -51.869
47 HD22 LEU 7 HD22 LEU 7 -33.467 -21.050 -52.111
48 HD23 LEU 7 HD23 LEU 7 -32.387 -21.768 -50.916
49 H LYS 8 H LYS 8 -32.604 -20.207 -53.759
50 HA LYS 8 HA LYS 8 -32.837 -17.731 -55.220
51 HB2 LYS 8 HB2 LYS 8 -32.856 -19.727 -56.920
52 HB3 LYS 8 HB3 LYS 8 -34.500 -19.965 -56.327
53 HG2 LYS 8 HG2 LYS 8 -35.004 -17.584 -56.839
54 HG3 LYS 8 HG3 LYS 8 -33.380 -17.406 -57.506
55 HD2 LYS 8 HD2 LYS 8 -33.826 -18.954 -59.269
56 HD3 LYS 8 HD3 LYS 8 -35.318 -19.502 -58.502
57 HE2 LYS 8 HE2 LYS 8 -35.228 -16.603 -59.001
58 HE3 LYS 8 HE3 LYS 8 -35.187 -17.584 -60.466
59 HZ1 LYS 8 HZ1 LYS 8 -37.330 -18.019 -60.223
60 HZ2 LYS 8 HZ2 LYS 8 -37.385 -17.002 -58.863
61 HZ3 LYS 8 HZ3 LYS 8 -37.070 -18.660 -58.675
62 HN1 NH2 9 HN1 NH2 9 -35.936 -19.328 -55.356
63 HN2 NH2 9 HN2 NH2 9 -36.371 -17.916 -54.522
64 H1 A2G 10 H1 A2G 10 -29.282 -19.566 -50.492
65 H2 A2G 10 H2 A2G 10 -31.566 -19.978 -49.648
66 HN2 A2G 10 HN2 A2G 10 -30.875 -17.100 -49.730
67 H3 A2G 10 H3 A2G 10 -30.799 -18.120 -47.382
68 HO3 A2G 10 HO3 A2G 10 -32.878 -18.013 -47.282
69 H4 A2G 10 H4 A2G 10 -30.816 -20.060 -45.943
70 HO4 A2G 10 HO4 A2G 10 -32.369 -21.070 -47.678
71 H5 A2G 10 H5 A2G 10 -28.691 -19.612 -47.113
72 H6 A2G 10 H6 A2G 10 -29.374 -22.566 -46.930
73 H8 A2G 10 H8 A2G 10 -32.394 -16.746 -52.685
74 H8A A2G 10 H8A A2G 10 -33.486 -16.239 -51.395
75 H8B A2G 10 H8B A2G 10 -31.762 -15.883 -51.283
76 H14 A2G 10 H14 A2G 10 -27.740 -21.903 -46.979
77 H15 A2G 10 H15 A2G 10 -28.225 -22.153 -44.856
Start of MODEL 9
1 H1 ACE 1 H1 ACE 1 -28.638 -9.728 -51.001
2 H2 ACE 1 H2 ACE 1 -27.286 -10.844 -51.186
3 H3 ACE 1 H3 ACE 1 -26.983 -9.145 -50.820
4 HA PRO 2 HA PRO 2 -26.932 -9.571 -46.465
5 HB2 PRO 2 HB2 PRO 2 -29.421 -8.258 -45.850
6 HB3 PRO 2 HB3 PRO 2 -27.779 -7.609 -45.717
7 HG2 PRO 2 HG2 PRO 2 -29.781 -7.194 -47.802
8 HG3 PRO 2 HG3 PRO 2 -28.340 -6.244 -47.414
9 HD2 PRO 2 HD2 PRO 2 -28.551 -7.794 -49.663
10 HD3 PRO 2 HD3 PRO 2 -27.000 -7.439 -48.869
11 H THR 3 H THR 3 -30.448 -9.585 -47.059
12 HA THR 3 HA THR 3 -30.715 -12.001 -45.448
13 HB THR 3 HB THR 3 -32.346 -10.323 -44.985
14 HG1 THR 3 HG1 THR 3 -33.079 -12.626 -46.277
15 HG21 THR 3 HG21 THR 3 -33.839 -9.475 -46.835
16 HG22 THR 3 HG22 THR 3 -32.758 -10.265 -47.983
17 HG23 THR 3 HG23 THR 3 -32.158 -8.958 -46.963
18 H THR 4 H THR 4 -29.300 -12.640 -47.660
19 HA THR 4 HA THR 4 -31.130 -14.448 -49.037
20 HB THR 4 HB THR 4 -30.267 -13.791 -51.272
21 HG1 THR 4 HG1 THR 4 -29.448 -11.364 -50.795
22 HG21 THR 4 HG21 THR 4 -31.460 -11.402 -49.858
23 HG22 THR 4 HG22 THR 4 -32.395 -12.856 -50.209
24 HG23 THR 4 HG23 THR 4 -31.707 -11.910 -51.529
25 H THR 5 H THR 5 -29.916 -16.026 -50.399
26 HA THR 5 HA THR 5 -27.077 -16.310 -49.771
27 HB THR 5 HB THR 5 -27.743 -18.824 -49.184
28 HG21 THR 5 HG21 THR 5 -28.042 -16.598 -47.152
29 HG22 THR 5 HG22 THR 5 -26.485 -17.145 -47.777
30 HG23 THR 5 HG23 THR 5 -27.501 -18.249 -46.852
31 HA PRO 6 HA PRO 6 -26.483 -17.989 -53.745
32 HB2 PRO 6 HB2 PRO 6 -25.572 -20.601 -52.944
33 HB3 PRO 6 HB3 PRO 6 -24.603 -19.225 -53.490
34 HG2 PRO 6 HG2 PRO 6 -25.099 -20.192 -50.780
35 HG3 PRO 6 HG3 PRO 6 -23.821 -19.128 -51.384
36 HD2 PRO 6 HD2 PRO 6 -25.876 -18.249 -49.799
37 HD3 PRO 6 HD3 PRO 6 -25.044 -17.210 -50.979
38 H LEU 7 H LEU 7 -28.774 -18.083 -54.186
39 HA LEU 7 HA LEU 7 -29.670 -20.707 -54.889
40 HB2 LEU 7 HB2 LEU 7 -30.336 -19.830 -52.279
41 HB3 LEU 7 HB3 LEU 7 -31.806 -19.717 -53.249
42 HG LEU 7 HG LEU 7 -30.036 -22.168 -53.284
43 HD11 LEU 7 HD11 LEU 7 -31.698 -23.165 -51.713
44 HD12 LEU 7 HD12 LEU 7 -32.441 -21.575 -51.532
45 HD13 LEU 7 HD13 LEU 7 -30.787 -21.844 -50.981
46 HD21 LEU 7 HD21 LEU 7 -32.910 -21.598 -54.076
47 HD22 LEU 7 HD22 LEU 7 -32.181 -23.204 -54.076
48 HD23 LEU 7 HD23 LEU 7 -31.570 -21.959 -55.164
49 H LYS 8 H LYS 8 -32.338 -20.317 -55.224
50 HA LYS 8 HA LYS 8 -32.386 -18.417 -57.398
51 HB2 LYS 8 HB2 LYS 8 -34.441 -20.306 -56.242
52 HB3 LYS 8 HB3 LYS 8 -34.797 -19.208 -57.576
53 HG2 LYS 8 HG2 LYS 8 -33.274 -20.270 -59.022
54 HG3 LYS 8 HG3 LYS 8 -32.406 -21.037 -57.692
55 HD2 LYS 8 HD2 LYS 8 -35.298 -21.705 -58.034
56 HD3 LYS 8 HD3 LYS 8 -34.151 -22.404 -59.177
57 HE2 LYS 8 HE2 LYS 8 -32.961 -23.532 -57.478
58 HE3 LYS 8 HE3 LYS 8 -33.653 -22.528 -56.205
59 HZ1 LYS 8 HZ1 LYS 8 -35.475 -24.115 -57.856
60 HZ2 LYS 8 HZ2 LYS 8 -35.600 -23.674 -56.221
61 HZ3 LYS 8 HZ3 LYS 8 -34.553 -24.928 -56.688
62 HN1 NH2 9 HN1 NH2 9 -31.945 -16.703 -55.341
63 HN2 NH2 9 HN2 NH2 9 -33.333 -16.189 -54.510
64 H1 A2G 10 H1 A2G 10 -29.614 -19.270 -50.262
65 H2 A2G 10 H2 A2G 10 -31.858 -20.165 -49.746
66 HN2 A2G 10 HN2 A2G 10 -31.729 -17.207 -49.763
67 H3 A2G 10 H3 A2G 10 -31.809 -18.255 -47.396
68 HO3 A2G 10 HO3 A2G 10 -33.743 -19.410 -48.751
69 H4 A2G 10 H4 A2G 10 -31.623 -20.200 -45.973
70 HO4 A2G 10 HO4 A2G 10 -32.215 -21.471 -48.342
71 H5 A2G 10 H5 A2G 10 -29.497 -19.293 -46.834
72 H6 A2G 10 H6 A2G 10 -29.536 -22.328 -46.781
73 H8 A2G 10 H8 A2G 10 -32.910 -16.980 -52.760
74 H8A A2G 10 H8A A2G 10 -34.370 -16.950 -51.771
75 H8B A2G 10 H8B A2G 10 -32.910 -16.130 -51.215
76 H14 A2G 10 H14 A2G 10 -28.117 -21.313 -46.527
77 H15 A2G 10 H15 A2G 10 -30.461 -21.417 -44.938
Start of MODEL 10
1 H1 ACE 1 H1 ACE 1 -26.838 -11.566 -44.019
2 H2 ACE 1 H2 ACE 1 -27.603 -10.284 -43.081
3 H3 ACE 1 H3 ACE 1 -26.326 -9.892 -44.231
4 HA PRO 2 HA PRO 2 -28.947 -9.153 -47.658
5 HB2 PRO 2 HB2 PRO 2 -28.313 -11.485 -49.227
6 HB3 PRO 2 HB3 PRO 2 -27.720 -9.830 -49.436
7 HG2 PRO 2 HG2 PRO 2 -26.417 -12.131 -48.198
8 HG3 PRO 2 HG3 PRO 2 -25.713 -10.627 -48.809
9 HD2 PRO 2 HD2 PRO 2 -25.879 -11.227 -46.141
10 HD3 PRO 2 HD3 PRO 2 -25.886 -9.561 -46.765
11 H THR 3 H THR 3 -30.873 -9.924 -48.792
12 HA THR 3 HA THR 3 -32.377 -11.819 -47.162
13 HB THR 3 HB THR 3 -34.269 -11.076 -48.715
14 HG1 THR 3 HG1 THR 3 -33.551 -8.900 -49.607
15 HG21 THR 3 HG21 THR 3 -34.491 -8.911 -47.560
16 HG22 THR 3 HG22 THR 3 -32.791 -8.980 -47.101
17 HG23 THR 3 HG23 THR 3 -33.928 -10.160 -46.451
18 H THR 4 H THR 4 -30.191 -12.576 -49.143
19 HA THR 4 HA THR 4 -31.662 -14.794 -50.340
20 HB THR 4 HB THR 4 -30.070 -14.100 -52.462
21 HG1 THR 4 HG1 THR 4 -29.613 -12.082 -51.613
22 HG21 THR 4 HG21 THR 4 -32.367 -14.870 -52.633
23 HG22 THR 4 HG22 THR 4 -32.217 -13.342 -53.502
24 HG23 THR 4 HG23 THR 4 -32.959 -13.378 -51.901
25 H THR 5 H THR 5 -30.230 -16.480 -51.147
26 HA THR 5 HA THR 5 -27.412 -16.285 -50.400
27 HB THR 5 HB THR 5 -27.914 -18.677 -49.259
28 HG21 THR 5 HG21 THR 5 -28.384 -16.142 -47.693
29 HG22 THR 5 HG22 THR 5 -26.798 -16.517 -48.365
30 HG23 THR 5 HG23 THR 5 -27.536 -17.603 -47.187
31 HA PRO 6 HA PRO 6 -26.464 -18.780 -53.845
32 HB2 PRO 6 HB2 PRO 6 -25.277 -20.978 -52.410
33 HB3 PRO 6 HB3 PRO 6 -24.461 -19.665 -53.273
34 HG2 PRO 6 HG2 PRO 6 -24.945 -19.993 -50.412
35 HG3 PRO 6 HG3 PRO 6 -23.784 -18.955 -51.250
36 HD2 PRO 6 HD2 PRO 6 -25.993 -17.985 -49.952
37 HD3 PRO 6 HD3 PRO 6 -25.246 -17.168 -51.346
38 H LEU 7 H LEU 7 -28.862 -19.164 -53.977
39 HA LEU 7 HA LEU 7 -29.385 -21.962 -54.273
40 HB2 LEU 7 HB2 LEU 7 -29.724 -21.398 -51.744
41 HB3 LEU 7 HB3 LEU 7 -31.218 -20.641 -52.297
42 HG LEU 7 HG LEU 7 -31.452 -22.946 -53.626
43 HD11 LEU 7 HD11 LEU 7 -29.223 -23.720 -52.728
44 HD12 LEU 7 HD12 LEU 7 -30.560 -24.816 -52.383
45 HD13 LEU 7 HD13 LEU 7 -29.947 -23.747 -51.121
46 HD21 LEU 7 HD21 LEU 7 -32.602 -23.819 -51.446
47 HD22 LEU 7 HD22 LEU 7 -33.197 -22.327 -52.177
48 HD23 LEU 7 HD23 LEU 7 -32.132 -22.258 -50.773
49 H LYS 8 H LYS 8 -29.626 -19.031 -55.378
50 HA LYS 8 HA LYS 8 -31.916 -19.602 -57.036
51 HB2 LYS 8 HB2 LYS 8 -33.174 -18.676 -55.235
52 HB3 LYS 8 HB3 LYS 8 -32.011 -17.371 -55.002
53 HG2 LYS 8 HG2 LYS 8 -32.790 -16.168 -56.801
54 HG3 LYS 8 HG3 LYS 8 -33.248 -17.614 -57.703
55 HD2 LYS 8 HD2 LYS 8 -35.248 -16.370 -56.973
56 HD3 LYS 8 HD3 LYS 8 -35.170 -17.950 -56.190
57 HE2 LYS 8 HE2 LYS 8 -34.933 -17.040 -54.130
58 HE3 LYS 8 HE3 LYS 8 -33.763 -15.851 -54.699
59 HZ1 LYS 8 HZ1 LYS 8 -35.780 -14.739 -55.772
60 HZ2 LYS 8 HZ2 LYS 8 -35.593 -14.589 -54.091
61 HZ3 LYS 8 HZ3 LYS 8 -36.711 -15.699 -54.729
62 HN1 NH2 9 HN1 NH2 9 -31.934 -17.781 -58.965
63 HN2 NH2 9 HN2 NH2 9 -30.311 -18.035 -59.389
64 H1 A2G 10 H1 A2G 10 -29.786 -19.492 -50.112
65 H2 A2G 10 H2 A2G 10 -31.935 -20.351 -49.251
66 HN2 A2G 10 HN2 A2G 10 -32.146 -17.490 -49.984
67 H3 A2G 10 H3 A2G 10 -31.944 -17.876 -47.507
68 HO3 A2G 10 HO3 A2G 10 -33.984 -18.573 -48.074
69 H4 A2G 10 H4 A2G 10 -31.560 -19.343 -45.626
70 HO4 A2G 10 HO4 A2G 10 -32.620 -21.136 -47.024
71 H5 A2G 10 H5 A2G 10 -29.541 -18.574 -46.816
72 H6 A2G 10 H6 A2G 10 -29.144 -21.487 -46.113
73 H8 A2G 10 H8 A2G 10 -33.133 -18.004 -52.978
74 H8A A2G 10 H8A A2G 10 -34.655 -18.180 -52.106
75 H8B A2G 10 H8B A2G 10 -33.486 -16.960 -51.601
76 H14 A2G 10 H14 A2G 10 -28.022 -20.148 -45.879
77 H15 A2G 10 H15 A2G 10 -30.523 -20.460 -44.582
Start of MODEL 11
1 H1 ACE 1 H1 ACE 1 -24.434 -9.200 -49.032
2 H2 ACE 1 H2 ACE 1 -23.555 -8.654 -47.604
3 H3 ACE 1 H3 ACE 1 -24.431 -7.491 -48.599
4 HA PRO 2 HA PRO 2 -28.201 -7.677 -46.383
5 HB2 PRO 2 HB2 PRO 2 -29.803 -9.066 -48.332
6 HB3 PRO 2 HB3 PRO 2 -29.778 -7.334 -47.970
7 HG2 PRO 2 HG2 PRO 2 -28.505 -8.798 -50.153
8 HG3 PRO 2 HG3 PRO 2 -28.866 -7.071 -50.008
9 HD2 PRO 2 HD2 PRO 2 -26.323 -8.082 -49.893
10 HD3 PRO 2 HD3 PRO 2 -26.812 -6.585 -49.068
11 H THR 3 H THR 3 -30.004 -9.267 -45.670
12 HA THR 3 HA THR 3 -28.695 -11.757 -44.895
13 HB THR 3 HB THR 3 -29.758 -10.814 -43.052
14 HG1 THR 3 HG1 THR 3 -30.814 -12.960 -44.104
15 HG21 THR 3 HG21 THR 3 -30.957 -8.990 -43.818
16 HG22 THR 3 HG22 THR 3 -32.283 -10.079 -43.408
17 HG23 THR 3 HG23 THR 3 -31.760 -9.918 -45.085
18 H THR 4 H THR 4 -28.730 -12.735 -47.018
19 HA THR 4 HA THR 4 -31.210 -14.204 -47.471
20 HB THR 4 HB THR 4 -30.411 -13.493 -50.063
21 HG1 THR 4 HG1 THR 4 -30.218 -11.406 -48.205
22 HG21 THR 4 HG21 THR 4 -32.614 -12.347 -50.086
23 HG22 THR 4 HG22 THR 4 -32.681 -12.480 -48.329
24 HG23 THR 4 HG23 THR 4 -32.702 -13.935 -49.324
25 H THR 5 H THR 5 -30.686 -15.561 -49.695
26 HA THR 5 HA THR 5 -27.933 -16.549 -49.620
27 HB THR 5 HB THR 5 -28.737 -18.907 -49.367
28 HG21 THR 5 HG21 THR 5 -28.028 -17.212 -47.445
29 HG22 THR 5 HG22 THR 5 -28.639 -18.820 -47.054
30 HG23 THR 5 HG23 THR 5 -29.710 -17.423 -46.958
31 HA PRO 6 HA PRO 6 -28.168 -17.089 -53.940
32 HB2 PRO 6 HB2 PRO 6 -27.641 -19.921 -53.970
33 HB3 PRO 6 HB3 PRO 6 -26.521 -18.596 -54.318
34 HG2 PRO 6 HG2 PRO 6 -26.832 -20.180 -51.885
35 HG3 PRO 6 HG3 PRO 6 -25.473 -19.179 -52.416
36 HD2 PRO 6 HD2 PRO 6 -27.121 -18.486 -50.340
37 HD3 PRO 6 HD3 PRO 6 -26.275 -17.292 -51.351
38 H LEU 7 H LEU 7 -29.932 -17.233 -55.201
39 HA LEU 7 HA LEU 7 -32.287 -18.605 -54.329
40 HB2 LEU 7 HB2 LEU 7 -31.661 -17.332 -57.005
41 HB3 LEU 7 HB3 LEU 7 -33.261 -17.810 -56.437
42 HG LEU 7 HG LEU 7 -32.367 -16.273 -54.345
43 HD11 LEU 7 HD11 LEU 7 -31.555 -14.771 -56.836
44 HD12 LEU 7 HD12 LEU 7 -30.385 -15.712 -55.910
45 HD13 LEU 7 HD13 LEU 7 -31.227 -14.361 -55.153
46 HD21 LEU 7 HD21 LEU 7 -33.851 -15.332 -56.821
47 HD22 LEU 7 HD22 LEU 7 -33.903 -14.561 -55.235
48 HD23 LEU 7 HD23 LEU 7 -34.580 -16.174 -55.454
49 H LYS 8 H LYS 8 -33.108 -20.537 -54.944
50 HA LYS 8 HA LYS 8 -32.150 -21.951 -57.269
51 HB2 LYS 8 HB2 LYS 8 -30.717 -22.313 -54.878
52 HB3 LYS 8 HB3 LYS 8 -31.741 -23.741 -55.039
53 HG2 LYS 8 HG2 LYS 8 -30.921 -24.086 -57.334
54 HG3 LYS 8 HG3 LYS 8 -29.909 -22.647 -57.195
55 HD2 LYS 8 HD2 LYS 8 -29.286 -24.173 -54.929
56 HD3 LYS 8 HD3 LYS 8 -29.397 -25.346 -56.243
57 HE2 LYS 8 HE2 LYS 8 -27.127 -24.545 -56.207
58 HE3 LYS 8 HE3 LYS 8 -27.912 -23.809 -57.605
59 HZ1 LYS 8 HZ1 LYS 8 -28.034 -21.771 -56.578
60 HZ2 LYS 8 HZ2 LYS 8 -26.546 -22.347 -55.995
61 HZ3 LYS 8 HZ3 LYS 8 -27.931 -22.416 -55.014
62 HN1 NH2 9 HN1 NH2 9 -34.756 -21.072 -55.885
63 HN2 NH2 9 HN2 NH2 9 -35.628 -22.494 -55.572
64 H1 A2G 10 H1 A2G 10 -30.428 -19.264 -50.819
65 H2 A2G 10 H2 A2G 10 -32.586 -20.457 -50.673
66 HN2 A2G 10 HN2 A2G 10 -32.814 -17.532 -50.278
67 H3 A2G 10 H3 A2G 10 -32.983 -18.915 -48.096
68 HO3 A2G 10 HO3 A2G 10 -34.702 -20.678 -48.106
69 H4 A2G 10 H4 A2G 10 -32.698 -21.015 -46.934
70 HO4 A2G 10 HO4 A2G 10 -31.765 -22.620 -48.781
71 H5 A2G 10 H5 A2G 10 -30.626 -19.770 -47.432
72 H6 A2G 10 H6 A2G 10 -30.770 -22.701 -47.188
73 H8 A2G 10 H8 A2G 10 -34.287 -17.243 -53.424
74 H8A A2G 10 H8A A2G 10 -35.242 -17.061 -51.953
75 H8B A2G 10 H8B A2G 10 -33.620 -16.374 -52.042
76 H14 A2G 10 H14 A2G 10 -29.232 -22.120 -47.828
77 H15 A2G 10 H15 A2G 10 -28.761 -21.362 -45.942
Start of MODEL 12
1 H1 ACE 1 H1 ACE 1 -24.811 -7.024 -44.881
2 H2 ACE 1 H2 ACE 1 -25.474 -8.087 -43.640
3 H3 ACE 1 H3 ACE 1 -26.223 -6.521 -43.951
4 HA PRO 2 HA PRO 2 -27.336 -9.295 -47.711
5 HB2 PRO 2 HB2 PRO 2 -26.580 -12.019 -47.154
6 HB3 PRO 2 HB3 PRO 2 -25.969 -10.951 -48.425
7 HG2 PRO 2 HG2 PRO 2 -24.523 -11.850 -46.250
8 HG3 PRO 2 HG3 PRO 2 -24.107 -10.460 -47.263
9 HD2 PRO 2 HD2 PRO 2 -25.334 -10.509 -44.546
10 HD3 PRO 2 HD3 PRO 2 -24.284 -9.283 -45.292
11 H THR 3 H THR 3 -29.481 -9.154 -47.215
12 HA THR 3 HA THR 3 -30.633 -10.836 -45.129
13 HB THR 3 HB THR 3 -32.700 -9.596 -45.581
14 HG1 THR 3 HG1 THR 3 -32.876 -8.305 -47.286
15 HG21 THR 3 HG21 THR 3 -30.265 -8.534 -44.630
16 HG22 THR 3 HG22 THR 3 -31.892 -7.951 -44.280
17 HG23 THR 3 HG23 THR 3 -30.985 -7.274 -45.633
18 H THR 4 H THR 4 -29.530 -11.997 -47.639
19 HA THR 4 HA THR 4 -31.836 -13.667 -48.273
20 HB THR 4 HB THR 4 -30.517 -13.049 -50.753
21 HG1 THR 4 HG1 THR 4 -30.387 -10.975 -50.643
22 HG21 THR 4 HG21 THR 4 -32.802 -12.620 -51.467
23 HG22 THR 4 HG22 THR 4 -33.331 -12.466 -49.791
24 HG23 THR 4 HG23 THR 4 -32.790 -14.028 -50.406
25 H THR 5 H THR 5 -30.945 -15.270 -50.161
26 HA THR 5 HA THR 5 -28.173 -16.032 -49.620
27 HB THR 5 HB THR 5 -28.910 -18.405 -49.154
28 HG21 THR 5 HG21 THR 5 -28.410 -16.413 -47.437
29 HG22 THR 5 HG22 THR 5 -28.930 -18.004 -46.883
30 HG23 THR 5 HG23 THR 5 -30.101 -16.692 -47.020
31 HA PRO 6 HA PRO 6 -27.849 -17.194 -53.814
32 HB2 PRO 6 HB2 PRO 6 -27.129 -19.944 -53.353
33 HB3 PRO 6 HB3 PRO 6 -26.069 -18.591 -53.775
34 HG2 PRO 6 HG2 PRO 6 -26.559 -19.831 -51.178
35 HG3 PRO 6 HG3 PRO 6 -25.220 -18.800 -51.704
36 HD2 PRO 6 HD2 PRO 6 -27.155 -17.967 -49.950
37 HD3 PRO 6 HD3 PRO 6 -26.274 -16.859 -51.027
38 H LEU 7 H LEU 7 -29.644 -17.439 -55.013
39 HA LEU 7 HA LEU 7 -31.825 -19.123 -54.228
40 HB2 LEU 7 HB2 LEU 7 -32.538 -18.511 -56.693
41 HB3 LEU 7 HB3 LEU 7 -32.570 -17.287 -55.423
42 HG LEU 7 HG LEU 7 -31.424 -16.617 -57.617
43 HD11 LEU 7 HD11 LEU 7 -30.755 -16.125 -54.879
44 HD12 LEU 7 HD12 LEU 7 -30.551 -15.048 -56.261
45 HD13 LEU 7 HD13 LEU 7 -29.259 -16.160 -55.811
46 HD21 LEU 7 HD21 LEU 7 -29.218 -17.458 -58.036
47 HD22 LEU 7 HD22 LEU 7 -30.238 -18.872 -57.777
48 HD23 LEU 7 HD23 LEU 7 -29.176 -18.305 -56.489
49 H LYS 8 H LYS 8 -32.801 -20.548 -56.108
50 HA LYS 8 HA LYS 8 -30.870 -22.014 -57.672
51 HB2 LYS 8 HB2 LYS 8 -31.027 -22.835 -55.076
52 HB3 LYS 8 HB3 LYS 8 -32.263 -23.844 -55.829
53 HG2 LYS 8 HG2 LYS 8 -30.507 -24.351 -57.640
54 HG3 LYS 8 HG3 LYS 8 -29.329 -23.657 -56.525
55 HD2 LYS 8 HD2 LYS 8 -31.181 -25.983 -55.927
56 HD3 LYS 8 HD3 LYS 8 -29.448 -26.095 -56.231
57 HE2 LYS 8 HE2 LYS 8 -29.403 -26.018 -53.927
58 HE3 LYS 8 HE3 LYS 8 -29.371 -24.287 -54.263
59 HZ1 LYS 8 HZ1 LYS 8 -31.105 -25.243 -52.618
60 HZ2 LYS 8 HZ2 LYS 8 -31.952 -25.675 -54.025
61 HZ3 LYS 8 HZ3 LYS 8 -31.575 -24.046 -53.724
62 HN1 NH2 9 HN1 NH2 9 -32.459 -23.807 -59.183
63 HN2 NH2 9 HN2 NH2 9 -33.126 -22.357 -59.758
64 H1 A2G 10 H1 A2G 10 -30.533 -18.968 -50.689
65 H2 A2G 10 H2 A2G 10 -32.632 -20.233 -50.502
66 HN2 A2G 10 HN2 A2G 10 -33.019 -17.302 -50.381
67 H3 A2G 10 H3 A2G 10 -33.229 -18.491 -48.098
68 HO3 A2G 10 HO3 A2G 10 -34.657 -20.085 -49.731
69 H4 A2G 10 H4 A2G 10 -32.856 -20.436 -46.721
70 HO4 A2G 10 HO4 A2G 10 -33.439 -21.769 -48.786
71 H5 A2G 10 H5 A2G 10 -30.834 -19.132 -47.269
72 H6 A2G 10 H6 A2G 10 -29.863 -21.943 -47.516
73 H8 A2G 10 H8 A2G 10 -33.732 -17.022 -53.432
74 H8A A2G 10 H8A A2G 10 -35.350 -17.408 -52.846
75 H8B A2G 10 H8B A2G 10 -34.290 -16.372 -51.890
76 H14 A2G 10 H14 A2G 10 -29.373 -20.681 -46.385
77 H15 A2G 10 H15 A2G 10 -31.898 -21.957 -46.321
Start of MODEL 13
1 H1 ACE 1 H1 ACE 1 -25.963 -12.435 -47.803
2 H2 ACE 1 H2 ACE 1 -26.434 -14.073 -47.348
3 H3 ACE 1 H3 ACE 1 -25.110 -13.270 -46.504
4 HA PRO 2 HA PRO 2 -27.937 -11.221 -43.777
5 HB2 PRO 2 HB2 PRO 2 -27.605 -8.463 -44.549
6 HB3 PRO 2 HB3 PRO 2 -26.831 -9.326 -43.213
7 HG2 PRO 2 HG2 PRO 2 -25.529 -8.391 -45.463
8 HG3 PRO 2 HG3 PRO 2 -24.925 -9.653 -44.380
9 HD2 PRO 2 HD2 PRO 2 -26.208 -9.930 -47.065
10 HD3 PRO 2 HD3 PRO 2 -24.956 -10.938 -46.305
11 H THR 3 H THR 3 -28.294 -9.755 -46.993
12 HA THR 3 HA THR 3 -31.087 -9.086 -46.479
13 HB THR 3 HB THR 3 -30.200 -7.410 -47.785
14 HG1 THR 3 HG1 THR 3 -30.745 -7.930 -50.024
15 HG21 THR 3 HG21 THR 3 -28.611 -8.057 -49.749
16 HG22 THR 3 HG22 THR 3 -28.463 -9.597 -48.903
17 HG23 THR 3 HG23 THR 3 -27.982 -8.101 -48.102
18 H THR 4 H THR 4 -29.174 -11.345 -48.412
19 HA THR 4 HA THR 4 -31.511 -13.075 -48.667
20 HB THR 4 HB THR 4 -30.292 -13.045 -51.241
21 HG1 THR 4 HG1 THR 4 -31.019 -10.518 -50.192
22 HG21 THR 4 HG21 THR 4 -32.981 -12.003 -50.312
23 HG22 THR 4 HG22 THR 4 -32.619 -13.694 -50.651
24 HG23 THR 4 HG23 THR 4 -32.568 -12.504 -51.951
25 H THR 5 H THR 5 -30.593 -14.960 -50.335
26 HA THR 5 HA THR 5 -27.861 -15.676 -49.580
27 HB THR 5 HB THR 5 -28.688 -17.959 -48.831
28 HG21 THR 5 HG21 THR 5 -29.859 -15.967 -46.953
29 HG22 THR 5 HG22 THR 5 -28.165 -15.745 -47.392
30 HG23 THR 5 HG23 THR 5 -28.692 -17.253 -46.645
31 HA PRO 6 HA PRO 6 -27.406 -17.427 -53.553
32 HB2 PRO 6 HB2 PRO 6 -26.758 -20.092 -52.676
33 HB3 PRO 6 HB3 PRO 6 -25.657 -18.828 -53.241
34 HG2 PRO 6 HG2 PRO 6 -26.272 -19.678 -50.517
35 HG3 PRO 6 HG3 PRO 6 -24.895 -18.752 -51.127
36 HD2 PRO 6 HD2 PRO 6 -26.879 -17.651 -49.592
37 HD3 PRO 6 HD3 PRO 6 -25.935 -16.721 -50.777
38 H LEU 7 H LEU 7 -29.240 -17.713 -54.689
39 HA LEU 7 HA LEU 7 -31.445 -19.332 -53.809
40 HB2 LEU 7 HB2 LEU 7 -32.344 -18.835 -56.102
41 HB3 LEU 7 HB3 LEU 7 -31.900 -17.401 -55.177
42 HG LEU 7 HG LEU 7 -29.656 -18.471 -56.712
43 HD11 LEU 7 HD11 LEU 7 -31.424 -19.126 -58.280
44 HD12 LEU 7 HD12 LEU 7 -30.539 -17.741 -58.918
45 HD13 LEU 7 HD13 LEU 7 -32.127 -17.511 -58.186
46 HD21 LEU 7 HD21 LEU 7 -29.883 -16.210 -55.585
47 HD22 LEU 7 HD22 LEU 7 -31.046 -15.781 -56.839
48 HD23 LEU 7 HD23 LEU 7 -29.375 -16.142 -57.273
49 H LYS 8 H LYS 8 -32.368 -21.099 -55.118
50 HA LYS 8 HA LYS 8 -30.351 -23.090 -55.666
51 HB2 LYS 8 HB2 LYS 8 -32.147 -24.630 -55.832
52 HB3 LYS 8 HB3 LYS 8 -32.624 -23.498 -54.566
53 HG2 LYS 8 HG2 LYS 8 -33.729 -22.175 -56.545
54 HG3 LYS 8 HG3 LYS 8 -33.647 -23.725 -57.383
55 HD2 LYS 8 HD2 LYS 8 -34.992 -23.197 -54.715
56 HD3 LYS 8 HD3 LYS 8 -35.803 -23.529 -56.247
57 HE2 LYS 8 HE2 LYS 8 -34.070 -25.404 -54.625
58 HE3 LYS 8 HE3 LYS 8 -35.766 -25.607 -55.064
59 HZ1 LYS 8 HZ1 LYS 8 -33.369 -26.040 -56.656
60 HZ2 LYS 8 HZ2 LYS 8 -34.697 -25.357 -57.467
61 HZ3 LYS 8 HZ3 LYS 8 -34.855 -26.857 -56.686
62 HN1 NH2 9 HN1 NH2 9 -31.721 -24.331 -58.311
63 HN2 NH2 9 HN2 NH2 9 -30.186 -23.757 -58.754
64 H1 A2G 10 H1 A2G 10 -30.294 -18.659 -50.316
65 H2 A2G 10 H2 A2G 10 -32.447 -19.823 -49.986
66 HN2 A2G 10 HN2 A2G 10 -32.766 -16.895 -50.297
67 H3 A2G 10 H3 A2G 10 -32.985 -17.711 -47.882
68 HO3 A2G 10 HO3 A2G 10 -34.407 -19.807 -49.070
69 H4 A2G 10 H4 A2G 10 -32.741 -19.461 -46.234
70 HO4 A2G 10 HO4 A2G 10 -32.606 -21.517 -46.765
71 H5 A2G 10 H5 A2G 10 -30.656 -18.334 -46.920
72 H6 A2G 10 H6 A2G 10 -30.067 -21.288 -46.651
73 H8 A2G 10 H8 A2G 10 -33.321 -16.957 -53.373
74 H8A A2G 10 H8A A2G 10 -34.959 -17.364 -52.861
75 H8B A2G 10 H8B A2G 10 -34.016 -16.187 -51.946
76 H14 A2G 10 H14 A2G 10 -29.139 -19.930 -46.015
77 H15 A2G 10 H15 A2G 10 -31.092 -19.456 -44.755
Start of MODEL 14
1 H1 ACE 1 H1 ACE 1 -29.599 -5.958 -44.782
2 H2 ACE 1 H2 ACE 1 -30.328 -6.637 -43.326
3 H3 ACE 1 H3 ACE 1 -31.321 -5.739 -44.474
4 HA PRO 2 HA PRO 2 -32.562 -9.187 -46.865
5 HB2 PRO 2 HB2 PRO 2 -31.055 -8.641 -49.258
6 HB3 PRO 2 HB3 PRO 2 -32.773 -8.346 -48.955
7 HG2 PRO 2 HG2 PRO 2 -30.526 -6.483 -48.891
8 HG3 PRO 2 HG3 PRO 2 -32.260 -6.159 -49.029
9 HD2 PRO 2 HD2 PRO 2 -30.807 -5.592 -46.777
10 HD3 PRO 2 HD3 PRO 2 -32.543 -5.976 -46.744
11 H THR 3 H THR 3 -31.732 -11.135 -48.077
12 HA THR 3 HA THR 3 -28.886 -11.694 -47.795
13 HB THR 3 HB THR 3 -30.200 -12.259 -45.599
14 HG1 THR 3 HG1 THR 3 -28.101 -12.923 -45.930
15 HG21 THR 3 HG21 THR 3 -30.743 -14.804 -47.111
16 HG22 THR 3 HG22 THR 3 -31.939 -13.509 -47.078
17 HG23 THR 3 HG23 THR 3 -31.418 -14.266 -45.573
18 H THR 4 H THR 4 -28.205 -13.517 -48.990
19 HA THR 4 HA THR 4 -30.189 -14.995 -50.538
20 HB THR 4 HB THR 4 -28.337 -14.261 -52.493
21 HG1 THR 4 HG1 THR 4 -29.122 -12.080 -50.866
22 HG21 THR 4 HG21 THR 4 -30.288 -13.042 -53.447
23 HG22 THR 4 HG22 THR 4 -31.119 -13.213 -51.900
24 HG23 THR 4 HG23 THR 4 -30.721 -14.645 -52.851
25 H THR 5 H THR 5 -29.426 -16.954 -51.313
26 HA THR 5 HA THR 5 -26.590 -17.597 -51.029
27 HB THR 5 HB THR 5 -27.506 -19.779 -49.790
28 HG21 THR 5 HG21 THR 5 -27.083 -17.160 -48.326
29 HG22 THR 5 HG22 THR 5 -25.774 -18.130 -49.000
30 HG23 THR 5 HG23 THR 5 -26.779 -18.783 -47.706
31 HA PRO 6 HA PRO 6 -26.953 -20.132 -54.560
32 HB2 PRO 6 HB2 PRO 6 -26.225 -22.623 -53.309
33 HB3 PRO 6 HB3 PRO 6 -25.219 -21.566 -54.310
34 HG2 PRO 6 HG2 PRO 6 -25.313 -21.840 -51.405
35 HG3 PRO 6 HG3 PRO 6 -24.054 -21.145 -52.434
36 HD2 PRO 6 HD2 PRO 6 -25.658 -19.635 -50.807
37 HD3 PRO 6 HD3 PRO 6 -24.944 -19.016 -52.313
38 H LEU 7 H LEU 7 -29.381 -19.749 -54.058
39 HA LEU 7 HA LEU 7 -30.747 -22.236 -54.417
40 HB2 LEU 7 HB2 LEU 7 -30.330 -21.968 -51.847
41 HB3 LEU 7 HB3 LEU 7 -31.632 -20.783 -51.946
42 HG LEU 7 HG LEU 7 -32.805 -22.735 -53.339
43 HD11 LEU 7 HD11 LEU 7 -32.239 -24.932 -52.381
44 HD12 LEU 7 HD12 LEU 7 -30.952 -24.193 -51.427
45 HD13 LEU 7 HD13 LEU 7 -30.836 -24.230 -53.187
46 HD21 LEU 7 HD21 LEU 7 -33.706 -23.561 -51.072
47 HD22 LEU 7 HD22 LEU 7 -33.862 -21.836 -51.404
48 HD23 LEU 7 HD23 LEU 7 -32.583 -22.417 -50.339
49 H LYS 8 H LYS 8 -30.441 -18.950 -54.673
50 HA LYS 8 HA LYS 8 -33.228 -18.240 -54.921
51 HB2 LYS 8 HB2 LYS 8 -31.619 -16.546 -54.237
52 HB3 LYS 8 HB3 LYS 8 -30.706 -16.773 -55.729
53 HG2 LYS 8 HG2 LYS 8 -32.186 -15.566 -56.970
54 HG3 LYS 8 HG3 LYS 8 -33.583 -16.213 -56.108
55 HD2 LYS 8 HD2 LYS 8 -33.113 -14.734 -54.201
56 HD3 LYS 8 HD3 LYS 8 -31.692 -14.100 -55.032
57 HE2 LYS 8 HE2 LYS 8 -33.912 -13.916 -56.821
58 HE3 LYS 8 HE3 LYS 8 -34.403 -13.232 -55.271
59 HZ1 LYS 8 HZ1 LYS 8 -33.258 -11.432 -55.804
60 HZ2 LYS 8 HZ2 LYS 8 -32.643 -12.162 -57.210
61 HZ3 LYS 8 HZ3 LYS 8 -31.829 -12.343 -55.730
62 HN1 NH2 9 HN1 NH2 9 -30.641 -19.138 -57.281
63 HN2 NH2 9 HN2 NH2 9 -31.514 -18.599 -58.633
64 H1 A2G 10 H1 A2G 10 -29.624 -19.988 -50.539
65 H2 A2G 10 H2 A2G 10 -31.836 -20.361 -49.505
66 HN2 A2G 10 HN2 A2G 10 -31.243 -17.514 -50.058
67 H3 A2G 10 H3 A2G 10 -31.023 -18.180 -47.566
68 HO3 A2G 10 HO3 A2G 10 -33.347 -19.237 -48.336
69 H4 A2G 10 H4 A2G 10 -30.873 -19.903 -45.877
70 HO4 A2G 10 HO4 A2G 10 -32.215 -21.310 -47.773
71 H5 A2G 10 H5 A2G 10 -28.840 -19.545 -47.228
72 H6 A2G 10 H6 A2G 10 -29.529 -22.332 -46.316
73 H8 A2G 10 H8 A2G 10 -33.575 -17.549 -52.655
74 H8A A2G 10 H8A A2G 10 -33.908 -16.729 -51.130
75 H8B A2G 10 H8B A2G 10 -32.302 -16.628 -51.853
76 H14 A2G 10 H14 A2G 10 -27.953 -21.998 -47.033
77 H15 A2G 10 H15 A2G 10 -28.588 -20.103 -45.240
Start of MODEL 15
1 H1 ACE 1 H1 ACE 1 -26.560 -12.884 -45.336
2 H2 ACE 1 H2 ACE 1 -26.313 -11.746 -46.660
3 H3 ACE 1 H3 ACE 1 -26.590 -13.453 -47.005
4 HA PRO 2 HA PRO 2 -30.853 -12.110 -44.995
5 HB2 PRO 2 HB2 PRO 2 -30.790 -9.231 -44.941
6 HB3 PRO 2 HB3 PRO 2 -30.977 -10.349 -43.581
7 HG2 PRO 2 HG2 PRO 2 -28.608 -8.905 -44.492
8 HG3 PRO 2 HG3 PRO 2 -28.938 -9.665 -42.928
9 HD2 PRO 2 HD2 PRO 2 -27.132 -10.667 -44.730
10 HD3 PRO 2 HD3 PRO 2 -28.008 -11.681 -43.560
11 H THR 3 H THR 3 -29.024 -10.634 -47.499
12 HA THR 3 HA THR 3 -31.352 -9.722 -49.000
13 HB THR 3 HB THR 3 -29.497 -9.258 -50.748
14 HG1 THR 3 HG1 THR 3 -27.440 -9.196 -49.868
15 HG21 THR 3 HG21 THR 3 -29.920 -7.922 -48.100
16 HG22 THR 3 HG22 THR 3 -30.336 -7.353 -49.718
17 HG23 THR 3 HG23 THR 3 -28.659 -7.312 -49.172
18 H THR 4 H THR 4 -28.646 -11.985 -49.578
19 HA THR 4 HA THR 4 -30.485 -13.855 -50.857
20 HB THR 4 HB THR 4 -28.448 -13.859 -52.701
21 HG1 THR 4 HG1 THR 4 -27.518 -11.992 -52.416
22 HG21 THR 4 HG21 THR 4 -30.790 -14.046 -53.262
23 HG22 THR 4 HG22 THR 4 -30.127 -12.677 -54.157
24 HG23 THR 4 HG23 THR 4 -31.100 -12.399 -52.712
25 H THR 5 H THR 5 -29.510 -15.950 -51.235
26 HA THR 5 HA THR 5 -26.888 -16.431 -50.044
27 HB THR 5 HB THR 5 -28.153 -18.402 -48.757
28 HG21 THR 5 HG21 THR 5 -28.072 -16.995 -46.765
29 HG22 THR 5 HG22 THR 5 -28.084 -15.538 -47.756
30 HG23 THR 5 HG23 THR 5 -26.690 -16.620 -47.794
31 HA PRO 6 HA PRO 6 -26.250 -19.525 -53.043
32 HB2 PRO 6 HB2 PRO 6 -25.908 -21.740 -51.235
33 HB3 PRO 6 HB3 PRO 6 -24.660 -20.814 -52.081
34 HG2 PRO 6 HG2 PRO 6 -25.563 -20.621 -49.313
35 HG3 PRO 6 HG3 PRO 6 -24.071 -20.033 -50.058
36 HD2 PRO 6 HD2 PRO 6 -26.087 -18.376 -49.211
37 HD3 PRO 6 HD3 PRO 6 -24.967 -17.959 -50.527
38 H LEU 7 H LEU 7 -28.616 -19.295 -53.531
39 HA LEU 7 HA LEU 7 -29.857 -21.871 -53.620
40 HB2 LEU 7 HB2 LEU 7 -30.344 -20.831 -51.251
41 HB3 LEU 7 HB3 LEU 7 -31.525 -19.871 -52.143
42 HG LEU 7 HG LEU 7 -32.133 -22.252 -53.180
43 HD11 LEU 7 HD11 LEU 7 -31.237 -22.969 -50.378
44 HD12 LEU 7 HD12 LEU 7 -30.269 -23.311 -51.812
45 HD13 LEU 7 HD13 LEU 7 -31.856 -24.056 -51.620
46 HD21 LEU 7 HD21 LEU 7 -32.982 -21.162 -50.482
47 HD22 LEU 7 HD22 LEU 7 -33.822 -22.478 -51.302
48 HD23 LEU 7 HD23 LEU 7 -33.757 -20.879 -52.041
49 H LYS 8 H LYS 8 -32.558 -20.558 -53.718
50 HA LYS 8 HA LYS 8 -32.428 -18.651 -55.878
51 HB2 LYS 8 HB2 LYS 8 -32.141 -21.207 -56.719
52 HB3 LYS 8 HB3 LYS 8 -33.901 -21.082 -56.707
53 HG2 LYS 8 HG2 LYS 8 -33.544 -18.836 -57.952
54 HG3 LYS 8 HG3 LYS 8 -31.914 -19.434 -58.264
55 HD2 LYS 8 HD2 LYS 8 -33.045 -21.573 -59.133
56 HD3 LYS 8 HD3 LYS 8 -34.541 -20.640 -59.140
57 HE2 LYS 8 HE2 LYS 8 -33.863 -20.096 -61.256
58 HE3 LYS 8 HE3 LYS 8 -32.898 -18.892 -60.401
59 HZ1 LYS 8 HZ1 LYS 8 -31.486 -20.088 -61.884
60 HZ2 LYS 8 HZ2 LYS 8 -32.018 -21.585 -61.285
61 HZ3 LYS 8 HZ3 LYS 8 -31.090 -20.555 -60.303
62 HN1 NH2 9 HN1 NH2 9 -35.336 -19.298 -53.366
63 HN2 NH2 9 HN2 NH2 9 -34.476 -20.716 -53.734
64 H1 A2G 10 H1 A2G 10 -30.033 -18.748 -50.104
65 H2 A2G 10 H2 A2G 10 -32.435 -19.043 -49.639
66 HN2 A2G 10 HN2 A2G 10 -31.715 -16.280 -50.419
67 H3 A2G 10 H3 A2G 10 -32.159 -16.609 -47.862
68 HO3 A2G 10 HO3 A2G 10 -34.283 -18.408 -48.396
69 H4 A2G 10 H4 A2G 10 -32.465 -18.096 -45.987
70 HO4 A2G 10 HO4 A2G 10 -32.360 -20.324 -47.688
71 H5 A2G 10 H5 A2G 10 -30.142 -17.875 -46.781
72 H6 A2G 10 H6 A2G 10 -30.606 -20.791 -46.131
73 H8 A2G 10 H8 A2G 10 -32.300 -16.751 -53.468
74 H8A A2G 10 H8A A2G 10 -33.935 -16.306 -52.981
75 H8B A2G 10 H8B A2G 10 -32.547 -15.486 -52.264
76 H14 A2G 10 H14 A2G 10 -29.252 -19.768 -45.651
77 H15 A2G 10 H15 A2G 10 -30.364 -19.405 -43.924
Start of MODEL 16
1 H1 ACE 1 H1 ACE 1 -26.026 -11.106 -49.593
2 H2 ACE 1 H2 ACE 1 -27.681 -11.133 -50.201
3 H3 ACE 1 H3 ACE 1 -26.929 -12.620 -49.623
4 HA PRO 2 HA PRO 2 -27.152 -9.938 -45.529
5 HB2 PRO 2 HB2 PRO 2 -28.894 -7.732 -46.162
6 HB3 PRO 2 HB3 PRO 2 -27.212 -7.676 -45.615
7 HG2 PRO 2 HG2 PRO 2 -28.304 -7.385 -48.307
8 HG3 PRO 2 HG3 PRO 2 -26.724 -6.908 -47.671
9 HD2 PRO 2 HD2 PRO 2 -27.067 -8.992 -49.415
10 HD3 PRO 2 HD3 PRO 2 -25.741 -8.923 -48.232
11 H THR 3 H THR 3 -29.522 -10.721 -47.854
12 HA THR 3 HA THR 3 -31.322 -11.678 -45.769
13 HB THR 3 HB THR 3 -32.333 -9.563 -46.022
14 HG1 THR 3 HG1 THR 3 -33.533 -11.326 -47.891
15 HG21 THR 3 HG21 THR 3 -31.147 -8.628 -47.852
16 HG22 THR 3 HG22 THR 3 -32.826 -8.693 -48.387
17 HG23 THR 3 HG23 THR 3 -31.674 -9.905 -48.947
18 H THR 4 H THR 4 -29.575 -12.508 -48.201
19 HA THR 4 HA THR 4 -31.438 -14.551 -49.131
20 HB THR 4 HB THR 4 -30.294 -13.880 -51.522
21 HG1 THR 4 HG1 THR 4 -30.756 -11.558 -51.589
22 HG21 THR 4 HG21 THR 4 -32.904 -12.898 -50.332
23 HG22 THR 4 HG22 THR 4 -32.647 -14.429 -51.169
24 HG23 THR 4 HG23 THR 4 -32.524 -12.909 -52.055
25 H THR 5 H THR 5 -30.294 -16.202 -50.480
26 HA THR 5 HA THR 5 -27.391 -16.276 -50.167
27 HB THR 5 HB THR 5 -27.936 -18.782 -49.290
28 HG21 THR 5 HG21 THR 5 -27.039 -18.073 -47.250
29 HG22 THR 5 HG22 THR 5 -27.893 -16.531 -47.300
30 HG23 THR 5 HG23 THR 5 -26.499 -16.802 -48.346
31 HA PRO 6 HA PRO 6 -27.164 -18.292 -54.020
32 HB2 PRO 6 HB2 PRO 6 -25.938 -20.733 -53.104
33 HB3 PRO 6 HB3 PRO 6 -25.167 -19.352 -53.901
34 HG2 PRO 6 HG2 PRO 6 -25.238 -20.066 -51.069
35 HG3 PRO 6 HG3 PRO 6 -24.142 -18.979 -51.935
36 HD2 PRO 6 HD2 PRO 6 -26.052 -18.094 -50.181
37 HD3 PRO 6 HD3 PRO 6 -25.467 -17.124 -51.553
38 H LEU 7 H LEU 7 -29.643 -18.500 -53.422
39 HA LEU 7 HA LEU 7 -30.596 -21.149 -52.840
40 HB2 LEU 7 HB2 LEU 7 -31.915 -19.139 -52.287
41 HB3 LEU 7 HB3 LEU 7 -32.058 -18.766 -54.005
42 HG LEU 7 HG LEU 7 -33.129 -21.022 -54.330
43 HD11 LEU 7 HD11 LEU 7 -32.366 -21.220 -51.530
44 HD12 LEU 7 HD12 LEU 7 -32.908 -22.488 -52.630
45 HD13 LEU 7 HD13 LEU 7 -34.090 -21.523 -51.747
46 HD21 LEU 7 HD21 LEU 7 -34.722 -19.530 -52.270
47 HD22 LEU 7 HD22 LEU 7 -35.248 -20.203 -53.813
48 HD23 LEU 7 HD23 LEU 7 -34.300 -18.716 -53.777
49 H LYS 8 H LYS 8 -32.005 -19.513 -55.551
50 HA LYS 8 HA LYS 8 -31.710 -21.864 -57.199
51 HB2 LYS 8 HB2 LYS 8 -32.865 -20.311 -58.908
52 HB3 LYS 8 HB3 LYS 8 -33.777 -20.771 -57.470
53 HG2 LYS 8 HG2 LYS 8 -33.590 -18.670 -56.507
54 HG3 LYS 8 HG3 LYS 8 -32.091 -18.299 -57.360
55 HD2 LYS 8 HD2 LYS 8 -33.984 -16.978 -58.255
56 HD3 LYS 8 HD3 LYS 8 -33.332 -18.075 -59.473
57 HE2 LYS 8 HE2 LYS 8 -35.855 -18.057 -59.333
58 HE3 LYS 8 HE3 LYS 8 -35.126 -19.648 -59.120
59 HZ1 LYS 8 HZ1 LYS 8 -36.917 -18.822 -57.464
60 HZ2 LYS 8 HZ2 LYS 8 -35.630 -17.957 -56.770
61 HZ3 LYS 8 HZ3 LYS 8 -35.558 -19.651 -56.881
62 HN1 NH2 9 HN1 NH2 9 -28.747 -20.199 -57.013
63 HN2 NH2 9 HN2 NH2 9 -28.835 -21.536 -58.056
64 H1 A2G 10 H1 A2G 10 -29.968 -19.392 -49.813
65 H2 A2G 10 H2 A2G 10 -32.002 -20.172 -48.649
66 HN2 A2G 10 HN2 A2G 10 -32.075 -17.253 -49.140
67 H3 A2G 10 H3 A2G 10 -31.504 -17.863 -46.753
68 HO3 A2G 10 HO3 A2G 10 -33.253 -19.971 -46.269
69 H4 A2G 10 H4 A2G 10 -30.928 -19.513 -45.085
70 HO4 A2G 10 HO4 A2G 10 -30.893 -21.711 -45.637
71 H5 A2G 10 H5 A2G 10 -29.086 -18.783 -46.554
72 H6 A2G 10 H6 A2G 10 -28.920 -21.769 -46.040
73 H8 A2G 10 H8 A2G 10 -33.715 -17.478 -51.907
74 H8A A2G 10 H8A A2G 10 -35.005 -17.524 -50.705
75 H8B A2G 10 H8B A2G 10 -33.604 -16.481 -50.457
76 H14 A2G 10 H14 A2G 10 -27.573 -20.633 -46.132
77 H15 A2G 10 H15 A2G 10 -28.957 -19.548 -44.358
Start of MODEL 17
1 H1 ACE 1 H1 ACE 1 -31.941 -6.552 -45.410
2 H2 ACE 1 H2 ACE 1 -33.539 -7.273 -45.215
3 H3 ACE 1 H3 ACE 1 -32.887 -6.996 -46.830
4 HA PRO 2 HA PRO 2 -31.875 -11.351 -45.600
5 HB2 PRO 2 HB2 PRO 2 -32.989 -12.230 -48.108
6 HB3 PRO 2 HB3 PRO 2 -33.593 -12.539 -46.473
7 HG2 PRO 2 HG2 PRO 2 -34.833 -10.961 -48.371
8 HG3 PRO 2 HG3 PRO 2 -35.152 -10.927 -46.631
9 HD2 PRO 2 HD2 PRO 2 -33.563 -9.027 -48.293
10 HD3 PRO 2 HD3 PRO 2 -34.490 -8.727 -46.805
11 H THR 3 H THR 3 -30.145 -12.582 -46.354
12 HA THR 3 HA THR 3 -28.467 -11.288 -48.358
13 HB THR 3 HB THR 3 -27.390 -11.980 -46.299
14 HG1 THR 3 HG1 THR 3 -25.982 -13.696 -47.344
15 HG21 THR 3 HG21 THR 3 -27.459 -14.824 -46.544
16 HG22 THR 3 HG22 THR 3 -29.120 -14.234 -46.580
17 HG23 THR 3 HG23 THR 3 -28.070 -13.828 -45.222
18 H THR 4 H THR 4 -27.483 -12.489 -50.097
19 HA THR 4 HA THR 4 -29.371 -14.357 -51.317
20 HB THR 4 HB THR 4 -27.526 -14.100 -53.211
21 HG1 THR 4 HG1 THR 4 -26.066 -12.730 -52.636
22 HG21 THR 4 HG21 THR 4 -28.780 -12.133 -54.029
23 HG22 THR 4 HG22 THR 4 -29.482 -11.922 -52.425
24 HG23 THR 4 HG23 THR 4 -29.864 -13.360 -53.373
25 H THR 5 H THR 5 -29.024 -16.489 -51.559
26 HA THR 5 HA THR 5 -26.339 -17.596 -51.279
27 HB THR 5 HB THR 5 -27.544 -19.321 -49.624
28 HG21 THR 5 HG21 THR 5 -26.500 -18.107 -47.777
29 HG22 THR 5 HG22 THR 5 -26.463 -16.629 -48.739
30 HG23 THR 5 HG23 THR 5 -25.465 -18.008 -49.202
31 HA PRO 6 HA PRO 6 -27.415 -20.585 -54.263
32 HB2 PRO 6 HB2 PRO 6 -27.069 -22.920 -52.612
33 HB3 PRO 6 HB3 PRO 6 -25.959 -22.263 -53.825
34 HG2 PRO 6 HG2 PRO 6 -25.894 -22.017 -50.917
35 HG3 PRO 6 HG3 PRO 6 -24.605 -21.763 -52.102
36 HD2 PRO 6 HD2 PRO 6 -25.785 -19.717 -50.714
37 HD3 PRO 6 HD3 PRO 6 -25.078 -19.513 -52.333
38 H LEU 7 H LEU 7 -29.687 -19.776 -53.974
39 HA LEU 7 HA LEU 7 -31.475 -21.982 -53.629
40 HB2 LEU 7 HB2 LEU 7 -30.934 -21.017 -51.240
41 HB3 LEU 7 HB3 LEU 7 -32.063 -19.750 -51.721
42 HG LEU 7 HG LEU 7 -33.676 -21.619 -52.370
43 HD11 LEU 7 HD11 LEU 7 -32.678 -23.554 -50.531
44 HD12 LEU 7 HD12 LEU 7 -31.372 -23.169 -51.653
45 HD13 LEU 7 HD13 LEU 7 -32.925 -23.737 -52.268
46 HD21 LEU 7 HD21 LEU 7 -34.229 -22.090 -49.913
47 HD22 LEU 7 HD22 LEU 7 -34.131 -20.391 -50.371
48 HD23 LEU 7 HD23 LEU 7 -32.790 -21.152 -49.515
49 H LYS 8 H LYS 8 -30.604 -19.491 -55.289
50 HA LYS 8 HA LYS 8 -33.050 -17.982 -55.563
51 HB2 LYS 8 HB2 LYS 8 -30.457 -18.059 -57.106
52 HB3 LYS 8 HB3 LYS 8 -31.825 -17.064 -57.610
53 HG2 LYS 8 HG2 LYS 8 -31.227 -16.794 -54.757
54 HG3 LYS 8 HG3 LYS 8 -29.876 -16.313 -55.785
55 HD2 LYS 8 HD2 LYS 8 -31.277 -14.369 -55.441
56 HD3 LYS 8 HD3 LYS 8 -31.481 -14.900 -57.111
57 HE2 LYS 8 HE2 LYS 8 -33.576 -15.954 -56.614
58 HE3 LYS 8 HE3 LYS 8 -33.329 -15.769 -54.878
59 HZ1 LYS 8 HZ1 LYS 8 -34.696 -14.049 -56.447
60 HZ2 LYS 8 HZ2 LYS 8 -33.177 -13.297 -56.339
61 HZ3 LYS 8 HZ3 LYS 8 -34.045 -13.673 -54.927
62 HN1 NH2 9 HN1 NH2 9 -34.756 -18.438 -57.258
63 HN2 NH2 9 HN2 NH2 9 -34.809 -20.124 -57.444
64 H1 A2G 10 H1 A2G 10 -29.721 -19.189 -50.243
65 H2 A2G 10 H2 A2G 10 -31.884 -18.911 -49.101
66 HN2 A2G 10 HN2 A2G 10 -30.770 -16.345 -50.072
67 H3 A2G 10 H3 A2G 10 -30.533 -16.688 -47.549
68 HO3 A2G 10 HO3 A2G 10 -32.889 -16.762 -48.097
69 H4 A2G 10 H4 A2G 10 -30.603 -18.132 -45.617
70 HO4 A2G 10 HO4 A2G 10 -32.540 -19.263 -46.781
71 H5 A2G 10 H5 A2G 10 -28.634 -18.430 -47.073
72 H6 A2G 10 H6 A2G 10 -29.595 -21.151 -46.152
73 H8 A2G 10 H8 A2G 10 -32.442 -16.382 -52.803
74 H8A A2G 10 H8A A2G 10 -33.599 -15.615 -51.715
75 H8B A2G 10 H8B A2G 10 -31.879 -15.249 -51.573
76 H14 A2G 10 H14 A2G 10 -27.934 -20.565 -46.232
77 H15 A2G 10 H15 A2G 10 -29.993 -19.834 -44.456
Start of MODEL 18
1 H1 ACE 1 H1 ACE 1 -29.722 -14.778 -44.022
2 H2 ACE 1 H2 ACE 1 -29.005 -14.617 -45.626
3 H3 ACE 1 H3 ACE 1 -30.742 -14.874 -45.458
4 HA PRO 2 HA PRO 2 -30.157 -10.469 -43.390
5 HB2 PRO 2 HB2 PRO 2 -27.497 -9.637 -44.123
6 HB3 PRO 2 HB3 PRO 2 -28.169 -9.851 -42.499
7 HG2 PRO 2 HG2 PRO 2 -26.443 -11.625 -44.049
8 HG3 PRO 2 HG3 PRO 2 -26.763 -11.596 -42.309
9 HD2 PRO 2 HD2 PRO 2 -27.692 -13.567 -43.969
10 HD3 PRO 2 HD3 PRO 2 -28.526 -13.082 -42.474
11 H THR 3 H THR 3 -27.789 -10.638 -46.062
12 HA THR 3 HA THR 3 -29.284 -8.609 -47.531
13 HB THR 3 HB THR 3 -27.136 -8.070 -47.979
14 HG1 THR 3 HG1 THR 3 -26.255 -9.608 -49.687
15 HG21 THR 3 HG21 THR 3 -26.217 -9.536 -46.301
16 HG22 THR 3 HG22 THR 3 -25.268 -9.755 -47.772
17 HG23 THR 3 HG23 THR 3 -26.483 -10.951 -47.320
18 H THR 4 H THR 4 -27.734 -11.631 -48.615
19 HA THR 4 HA THR 4 -30.234 -12.534 -49.817
20 HB THR 4 HB THR 4 -28.464 -12.887 -51.919
21 HG1 THR 4 HG1 THR 4 -27.487 -10.934 -52.215
22 HG21 THR 4 HG21 THR 4 -30.529 -10.722 -51.439
23 HG22 THR 4 HG22 THR 4 -30.826 -12.320 -52.126
24 HG23 THR 4 HG23 THR 4 -29.863 -11.141 -53.019
25 H THR 5 H THR 5 -29.759 -14.673 -51.057
26 HA THR 5 HA THR 5 -27.541 -16.185 -49.897
27 HB THR 5 HB THR 5 -29.129 -17.999 -49.171
28 HG21 THR 5 HG21 THR 5 -29.880 -15.533 -47.660
29 HG22 THR 5 HG22 THR 5 -28.172 -15.960 -47.751
30 HG23 THR 5 HG23 THR 5 -29.328 -17.094 -47.053
31 HA PRO 6 HA PRO 6 -27.194 -18.285 -53.709
32 HB2 PRO 6 HB2 PRO 6 -27.603 -20.942 -52.676
33 HB3 PRO 6 HB3 PRO 6 -26.075 -20.159 -53.110
34 HG2 PRO 6 HG2 PRO 6 -27.287 -20.550 -50.481
35 HG3 PRO 6 HG3 PRO 6 -25.609 -20.185 -50.910
36 HD2 PRO 6 HD2 PRO 6 -27.275 -18.372 -49.709
37 HD3 PRO 6 HD3 PRO 6 -25.933 -17.901 -50.777
38 H LEU 7 H LEU 7 -28.669 -18.505 -55.292
39 HA LEU 7 HA LEU 7 -31.455 -18.843 -54.715
40 HB2 LEU 7 HB2 LEU 7 -30.136 -19.021 -57.427
41 HB3 LEU 7 HB3 LEU 7 -31.806 -18.582 -57.067
42 HG LEU 7 HG LEU 7 -30.394 -16.770 -55.553
43 HD11 LEU 7 HD11 LEU 7 -28.997 -16.872 -58.227
44 HD12 LEU 7 HD12 LEU 7 -28.332 -17.683 -56.808
45 HD13 LEU 7 HD13 LEU 7 -28.558 -15.933 -56.800
46 HD21 LEU 7 HD21 LEU 7 -32.350 -16.322 -56.999
47 HD22 LEU 7 HD22 LEU 7 -31.323 -16.460 -58.425
48 HD23 LEU 7 HD23 LEU 7 -31.067 -15.145 -57.279
49 H LYS 8 H LYS 8 -32.822 -20.514 -55.673
50 HA LYS 8 HA LYS 8 -31.629 -23.002 -56.517
51 HB2 LYS 8 HB2 LYS 8 -32.095 -22.569 -53.721
52 HB3 LYS 8 HB3 LYS 8 -33.211 -23.803 -54.307
53 HG2 LYS 8 HG2 LYS 8 -31.315 -25.022 -55.329
54 HG3 LYS 8 HG3 LYS 8 -30.205 -23.801 -54.707
55 HD2 LYS 8 HD2 LYS 8 -30.054 -25.342 -52.996
56 HD3 LYS 8 HD3 LYS 8 -31.422 -24.397 -52.407
57 HE2 LYS 8 HE2 LYS 8 -32.849 -26.076 -53.829
58 HE3 LYS 8 HE3 LYS 8 -31.418 -27.102 -53.718
59 HZ1 LYS 8 HZ1 LYS 8 -33.108 -27.402 -51.913
60 HZ2 LYS 8 HZ2 LYS 8 -32.694 -25.852 -51.354
61 HZ3 LYS 8 HZ3 LYS 8 -31.530 -27.089 -51.377
62 HN1 NH2 9 HN1 NH2 9 -33.603 -22.515 -58.413
63 HN2 NH2 9 HN2 NH2 9 -34.241 -24.011 -57.928
64 H1 A2G 10 H1 A2G 10 -30.605 -18.369 -50.866
65 H2 A2G 10 H2 A2G 10 -33.035 -18.811 -50.916
66 HN2 A2G 10 HN2 A2G 10 -32.349 -15.980 -51.444
67 H3 A2G 10 H3 A2G 10 -33.259 -16.418 -49.072
68 HO3 A2G 10 HO3 A2G 10 -35.438 -17.137 -49.029
69 H4 A2G 10 H4 A2G 10 -33.859 -17.973 -47.323
70 HO4 A2G 10 HO4 A2G 10 -34.823 -19.491 -48.826
71 H5 A2G 10 H5 A2G 10 -31.443 -17.587 -47.632
72 H6 A2G 10 H6 A2G 10 -32.129 -20.479 -47.008
73 H8 A2G 10 H8 A2G 10 -32.544 -16.405 -54.687
74 H8A A2G 10 H8A A2G 10 -34.137 -15.835 -54.193
75 H8B A2G 10 H8B A2G 10 -32.691 -15.188 -53.418
76 H14 A2G 10 H14 A2G 10 -30.626 -19.671 -46.562
77 H15 A2G 10 H15 A2G 10 -31.703 -19.153 -44.839
Start of MODEL 19
1 H1 ACE 1 H1 ACE 1 -33.863 -9.370 -49.089
2 H2 ACE 1 H2 ACE 1 -33.303 -7.781 -48.569
3 H3 ACE 1 H3 ACE 1 -33.527 -9.068 -47.384
4 HA PRO 2 HA PRO 2 -29.082 -9.091 -48.710
5 HB2 PRO 2 HB2 PRO 2 -28.338 -9.034 -45.926
6 HB3 PRO 2 HB3 PRO 2 -28.079 -7.787 -47.154
7 HG2 PRO 2 HG2 PRO 2 -29.786 -7.582 -44.993
8 HG3 PRO 2 HG3 PRO 2 -29.842 -6.580 -46.450
9 HD2 PRO 2 HD2 PRO 2 -31.583 -8.874 -45.676
10 HD3 PRO 2 HD3 PRO 2 -31.964 -7.446 -46.667
11 H THR 3 H THR 3 -31.215 -11.101 -47.218
12 HA THR 3 HA THR 3 -29.308 -13.125 -46.340
13 HB THR 3 HB THR 3 -31.294 -14.401 -45.692
14 HG1 THR 3 HG1 THR 3 -32.729 -13.892 -47.276
15 HG21 THR 3 HG21 THR 3 -32.340 -12.006 -44.586
16 HG22 THR 3 HG22 THR 3 -30.597 -11.780 -44.750
17 HG23 THR 3 HG23 THR 3 -31.227 -13.148 -43.830
18 H THR 4 H THR 4 -28.997 -12.509 -49.032
19 HA THR 4 HA THR 4 -30.385 -14.571 -50.567
20 HB THR 4 HB THR 4 -28.711 -13.544 -52.365
21 HG1 THR 4 HG1 THR 4 -28.705 -11.816 -50.169
22 HG21 THR 4 HG21 THR 4 -31.153 -12.118 -51.273
23 HG22 THR 4 HG22 THR 4 -31.163 -13.428 -52.453
24 HG23 THR 4 HG23 THR 4 -30.457 -11.868 -52.874
25 H THR 5 H THR 5 -29.514 -16.470 -51.173
26 HA THR 5 HA THR 5 -26.628 -16.889 -51.028
27 HB THR 5 HB THR 5 -27.301 -19.120 -49.725
28 HG21 THR 5 HG21 THR 5 -25.648 -17.399 -49.012
29 HG22 THR 5 HG22 THR 5 -26.607 -18.002 -47.659
30 HG23 THR 5 HG23 THR 5 -26.972 -16.429 -48.367
31 HA PRO 6 HA PRO 6 -26.974 -19.491 -54.510
32 HB2 PRO 6 HB2 PRO 6 -26.003 -21.906 -53.278
33 HB3 PRO 6 HB3 PRO 6 -25.128 -20.790 -54.337
34 HG2 PRO 6 HG2 PRO 6 -25.058 -21.036 -51.427
35 HG3 PRO 6 HG3 PRO 6 -23.905 -20.262 -52.524
36 HD2 PRO 6 HD2 PRO 6 -25.536 -18.855 -50.831
37 HD3 PRO 6 HD3 PRO 6 -24.944 -18.203 -52.377
38 H LEU 7 H LEU 7 -29.384 -19.316 -54.023
39 HA LEU 7 HA LEU 7 -30.555 -21.920 -54.189
40 HB2 LEU 7 HB2 LEU 7 -30.134 -21.430 -51.649
41 HB3 LEU 7 HB3 LEU 7 -31.538 -20.376 -51.815
42 HG LEU 7 HG LEU 7 -32.539 -22.523 -53.046
43 HD11 LEU 7 HD11 LEU 7 -30.422 -23.803 -52.794
44 HD12 LEU 7 HD12 LEU 7 -31.769 -24.585 -51.969
45 HD13 LEU 7 HD13 LEU 7 -30.575 -23.677 -51.043
46 HD21 LEU 7 HD21 LEU 7 -33.431 -23.226 -50.783
47 HD22 LEU 7 HD22 LEU 7 -33.594 -21.503 -51.127
48 HD23 LEU 7 HD23 LEU 7 -32.313 -22.071 -50.057
49 H LYS 8 H LYS 8 -30.417 -19.069 -55.336
50 HA LYS 8 HA LYS 8 -33.139 -18.120 -55.207
51 HB2 LYS 8 HB2 LYS 8 -30.946 -16.767 -55.639
52 HB3 LYS 8 HB3 LYS 8 -31.173 -17.278 -57.313
53 HG2 LYS 8 HG2 LYS 8 -32.437 -15.359 -57.379
54 HG3 LYS 8 HG3 LYS 8 -33.680 -16.462 -56.787
55 HD2 LYS 8 HD2 LYS 8 -33.109 -15.833 -54.457
56 HD3 LYS 8 HD3 LYS 8 -31.911 -14.694 -55.072
57 HE2 LYS 8 HE2 LYS 8 -34.065 -13.576 -54.531
58 HE3 LYS 8 HE3 LYS 8 -33.659 -13.441 -56.241
59 HZ1 LYS 8 HZ1 LYS 8 -35.963 -14.068 -55.955
60 HZ2 LYS 8 HZ2 LYS 8 -35.512 -15.427 -55.039
61 HZ3 LYS 8 HZ3 LYS 8 -35.105 -15.335 -56.686
62 HN1 NH2 9 HN1 NH2 9 -34.446 -18.058 -57.794
63 HN2 NH2 9 HN2 NH2 9 -34.840 -19.633 -57.299
64 H1 A2G 10 H1 A2G 10 -29.456 -19.447 -50.406
65 H2 A2G 10 H2 A2G 10 -31.595 -19.970 -49.309
66 HN2 A2G 10 HN2 A2G 10 -31.188 -17.074 -49.761
67 H3 A2G 10 H3 A2G 10 -30.859 -17.817 -47.311
68 HO3 A2G 10 HO3 A2G 10 -32.933 -19.742 -47.308
69 H4 A2G 10 H4 A2G 10 -30.507 -19.575 -45.697
70 HO4 A2G 10 HO4 A2G 10 -30.555 -21.732 -47.259
71 H5 A2G 10 H5 A2G 10 -28.558 -19.047 -47.115
72 H6 A2G 10 H6 A2G 10 -29.025 -21.913 -46.298
73 H8 A2G 10 H8 A2G 10 -33.204 -17.167 -52.463
74 H8A A2G 10 H8A A2G 10 -34.047 -16.552 -51.041
75 H8B A2G 10 H8B A2G 10 -32.361 -16.121 -51.322
76 H14 A2G 10 H14 A2G 10 -27.495 -21.423 -47.026
77 H15 A2G 10 H15 A2G 10 -28.574 -20.811 -44.549
Start of MODEL 20
1 H1 ACE 1 H1 ACE 1 -25.468 -12.038 -46.426
2 H2 ACE 1 H2 ACE 1 -26.021 -13.560 -47.125
3 H3 ACE 1 H3 ACE 1 -25.529 -13.494 -45.433
4 HA PRO 2 HA PRO 2 -29.499 -12.650 -43.796
5 HB2 PRO 2 HB2 PRO 2 -29.082 -9.916 -42.991
6 HB3 PRO 2 HB3 PRO 2 -29.072 -11.369 -41.980
7 HG2 PRO 2 HG2 PRO 2 -26.832 -9.839 -43.060
8 HG3 PRO 2 HG3 PRO 2 -26.870 -10.996 -41.723
9 HD2 PRO 2 HD2 PRO 2 -25.674 -11.529 -44.129
10 HD3 PRO 2 HD3 PRO 2 -26.368 -12.792 -43.087
11 H THR 3 H THR 3 -28.161 -10.683 -46.250
12 HA THR 3 HA THR 3 -30.620 -9.200 -46.766
13 HB THR 3 HB THR 3 -29.369 -8.096 -48.513
14 HG1 THR 3 HG1 THR 3 -27.324 -8.821 -49.077
15 HG21 THR 3 HG21 THR 3 -27.131 -8.221 -46.645
16 HG22 THR 3 HG22 THR 3 -28.680 -8.069 -45.817
17 HG23 THR 3 HG23 THR 3 -28.203 -6.871 -47.020
18 H THR 4 H THR 4 -28.622 -11.675 -48.361
19 HA THR 4 HA THR 4 -31.006 -12.740 -49.662
20 HB THR 4 HB THR 4 -29.277 -12.765 -51.788
21 HG1 THR 4 HG1 THR 4 -28.240 -11.054 -50.206
22 HG21 THR 4 HG21 THR 4 -31.382 -10.704 -51.074
23 HG22 THR 4 HG22 THR 4 -31.661 -12.244 -51.887
24 HG23 THR 4 HG23 THR 4 -30.745 -10.973 -52.696
25 H THR 5 H THR 5 -30.280 -14.706 -51.076
26 HA THR 5 HA THR 5 -27.930 -16.066 -49.990
27 HB THR 5 HB THR 5 -29.319 -18.093 -49.446
28 HG21 THR 5 HG21 THR 5 -30.346 -15.827 -47.779
29 HG22 THR 5 HG22 THR 5 -28.606 -16.110 -47.836
30 HG23 THR 5 HG23 THR 5 -29.688 -17.381 -47.268
31 HA PRO 6 HA PRO 6 -27.287 -17.786 -53.940
32 HB2 PRO 6 HB2 PRO 6 -27.455 -20.555 -53.162
33 HB3 PRO 6 HB3 PRO 6 -26.003 -19.590 -53.470
34 HG2 PRO 6 HG2 PRO 6 -27.236 -20.337 -50.931
35 HG3 PRO 6 HG3 PRO 6 -25.593 -19.771 -51.267
36 HD2 PRO 6 HD2 PRO 6 -27.466 -18.249 -49.969
37 HD3 PRO 6 HD3 PRO 6 -26.150 -17.552 -50.941
38 H LEU 7 H LEU 7 -28.502 -18.428 -55.687
39 HA LEU 7 HA LEU 7 -31.324 -18.717 -55.341
40 HB2 LEU 7 HB2 LEU 7 -29.432 -18.522 -57.602
41 HB3 LEU 7 HB3 LEU 7 -30.916 -19.415 -57.932
42 HG LEU 7 HG LEU 7 -32.220 -17.492 -56.998
43 HD11 LEU 7 HD11 LEU 7 -31.119 -15.393 -56.549
44 HD12 LEU 7 HD12 LEU 7 -29.572 -16.023 -57.115
45 HD13 LEU 7 HD13 LEU 7 -30.278 -16.634 -55.619
46 HD21 LEU 7 HD21 LEU 7 -32.281 -17.243 -59.269
47 HD22 LEU 7 HD22 LEU 7 -30.535 -17.428 -59.434
48 HD23 LEU 7 HD23 LEU 7 -31.215 -15.874 -58.952
49 H LYS 8 H LYS 8 -31.885 -20.562 -54.258
50 HA LYS 8 HA LYS 8 -30.739 -23.128 -54.914
51 HB2 LYS 8 HB2 LYS 8 -31.643 -22.375 -52.627
52 HB3 LYS 8 HB3 LYS 8 -33.245 -22.680 -53.300
53 HG2 LYS 8 HG2 LYS 8 -32.845 -24.784 -52.476
54 HG3 LYS 8 HG3 LYS 8 -32.030 -24.973 -54.029
55 HD2 LYS 8 HD2 LYS 8 -30.385 -25.698 -52.533
56 HD3 LYS 8 HD3 LYS 8 -29.954 -24.001 -52.754
57 HE2 LYS 8 HE2 LYS 8 -31.697 -23.737 -50.716
58 HE3 LYS 8 HE3 LYS 8 -31.113 -25.366 -50.379
59 HZ1 LYS 8 HZ1 LYS 8 -29.782 -22.868 -50.052
60 HZ2 LYS 8 HZ2 LYS 8 -28.869 -23.934 -51.011
61 HZ3 LYS 8 HZ3 LYS 8 -29.362 -24.398 -49.452
62 HN1 NH2 9 HN1 NH2 9 -31.898 -24.901 -55.951
63 HN2 NH2 9 HN2 NH2 9 -33.219 -24.595 -56.972
64 H1 A2G 10 H1 A2G 10 -30.703 -18.541 -51.137
65 H2 A2G 10 H2 A2G 10 -33.078 -19.188 -51.340
66 HN2 A2G 10 HN2 A2G 10 -32.712 -16.270 -51.690
67 H3 A2G 10 H3 A2G 10 -33.608 -16.908 -49.417
68 HO3 A2G 10 HO3 A2G 10 -35.364 -17.165 -50.629
69 H4 A2G 10 H4 A2G 10 -34.158 -18.584 -47.766
70 HO4 A2G 10 HO4 A2G 10 -34.760 -20.084 -49.622
71 H5 A2G 10 H5 A2G 10 -31.771 -17.977 -47.926
72 H6 A2G 10 H6 A2G 10 -32.122 -20.961 -47.493
73 H8 A2G 10 H8 A2G 10 -32.503 -16.508 -54.970
74 H8A A2G 10 H8A A2G 10 -34.209 -16.267 -54.593
75 H8B A2G 10 H8B A2G 10 -32.973 -15.427 -53.657
76 H14 A2G 10 H14 A2G 10 -30.849 -19.945 -46.816
77 H15 A2G 10 H15 A2G 10 -32.515 -20.258 -45.316
Start of MODEL 21
1 H1 ACE 1 H1 ACE 1 -30.423 -13.205 -42.946
2 H2 ACE 1 H2 ACE 1 -28.702 -13.589 -42.907
3 H3 ACE 1 H3 ACE 1 -29.587 -13.661 -44.429
4 HA PRO 2 HA PRO 2 -27.495 -9.410 -43.555
5 HB2 PRO 2 HB2 PRO 2 -26.083 -9.687 -46.043
6 HB3 PRO 2 HB3 PRO 2 -25.412 -9.565 -44.413
7 HG2 PRO 2 HG2 PRO 2 -25.621 -11.875 -46.104
8 HG3 PRO 2 HG3 PRO 2 -24.828 -11.717 -44.534
9 HD2 PRO 2 HD2 PRO 2 -27.221 -13.141 -45.086
10 HD3 PRO 2 HD3 PRO 2 -26.542 -12.780 -43.479
11 H THR 3 H THR 3 -28.368 -10.902 -46.674
12 HA THR 3 HA THR 3 -30.356 -8.819 -47.125
13 HB THR 3 HB THR 3 -29.138 -8.886 -49.598
14 HG1 THR 3 HG1 THR 3 -27.309 -9.872 -48.738
15 HG21 THR 3 HG21 THR 3 -30.021 -6.875 -48.657
16 HG22 THR 3 HG22 THR 3 -28.297 -6.587 -48.892
17 HG23 THR 3 HG23 THR 3 -28.919 -6.955 -47.283
18 H THR 4 H THR 4 -28.622 -11.511 -48.705
19 HA THR 4 HA THR 4 -31.160 -12.886 -49.121
20 HB THR 4 HB THR 4 -29.698 -12.996 -51.599
21 HG1 THR 4 HG1 THR 4 -29.082 -10.994 -51.651
22 HG21 THR 4 HG21 THR 4 -32.418 -11.882 -50.859
23 HG22 THR 4 HG22 THR 4 -32.076 -13.561 -51.278
24 HG23 THR 4 HG23 THR 4 -31.886 -12.293 -52.490
25 H THR 5 H THR 5 -30.420 -14.905 -50.732
26 HA THR 5 HA THR 5 -27.881 -16.005 -49.793
27 HB THR 5 HB THR 5 -29.068 -18.137 -49.093
28 HG21 THR 5 HG21 THR 5 -30.058 -15.962 -47.312
29 HG22 THR 5 HG22 THR 5 -28.324 -16.010 -47.628
30 HG23 THR 5 HG23 THR 5 -29.128 -17.406 -46.912
31 HA PRO 6 HA PRO 6 -27.417 -17.831 -53.731
32 HB2 PRO 6 HB2 PRO 6 -27.187 -20.555 -52.829
33 HB3 PRO 6 HB3 PRO 6 -25.893 -19.452 -53.320
34 HG2 PRO 6 HG2 PRO 6 -26.773 -20.209 -50.645
35 HG3 PRO 6 HG3 PRO 6 -25.256 -19.462 -51.168
36 HD2 PRO 6 HD2 PRO 6 -27.188 -18.129 -49.745
37 HD3 PRO 6 HD3 PRO 6 -26.047 -17.320 -50.843
38 H LEU 7 H LEU 7 -29.130 -17.983 -55.062
39 HA LEU 7 HA LEU 7 -31.601 -19.208 -54.286
40 HB2 LEU 7 HB2 LEU 7 -32.242 -18.763 -56.677
41 HB3 LEU 7 HB3 LEU 7 -31.669 -17.339 -55.804
42 HG LEU 7 HG LEU 7 -29.496 -18.824 -57.087
43 HD11 LEU 7 HD11 LEU 7 -31.109 -19.359 -58.798
44 HD12 LEU 7 HD12 LEU 7 -30.174 -17.992 -59.399
45 HD13 LEU 7 HD13 LEU 7 -31.793 -17.734 -58.754
46 HD21 LEU 7 HD21 LEU 7 -30.491 -15.964 -57.389
47 HD22 LEU 7 HD22 LEU 7 -28.883 -16.560 -57.788
48 HD23 LEU 7 HD23 LEU 7 -29.409 -16.502 -56.107
49 H LYS 8 H LYS 8 -32.641 -20.979 -55.404
50 HA LYS 8 HA LYS 8 -30.852 -23.217 -55.757
51 HB2 LYS 8 HB2 LYS 8 -33.845 -23.101 -56.192
52 HB3 LYS 8 HB3 LYS 8 -32.863 -24.545 -55.945
53 HG2 LYS 8 HG2 LYS 8 -32.246 -22.878 -53.776
54 HG3 LYS 8 HG3 LYS 8 -33.993 -22.740 -53.970
55 HD2 LYS 8 HD2 LYS 8 -33.592 -24.615 -52.512
56 HD3 LYS 8 HD3 LYS 8 -34.082 -25.269 -54.075
57 HE2 LYS 8 HE2 LYS 8 -31.295 -24.964 -54.252
58 HE3 LYS 8 HE3 LYS 8 -31.583 -25.632 -52.646
59 HZ1 LYS 8 HZ1 LYS 8 -33.029 -26.776 -54.925
60 HZ2 LYS 8 HZ2 LYS 8 -32.510 -27.521 -53.489
61 HZ3 LYS 8 HZ3 LYS 8 -31.395 -27.180 -54.725
62 HN1 NH2 9 HN1 NH2 9 -31.538 -21.497 -59.211
63 HN2 NH2 9 HN2 NH2 9 -30.498 -21.164 -57.912
64 H1 A2G 10 H1 A2G 10 -30.668 -18.614 -50.683
65 H2 A2G 10 H2 A2G 10 -32.969 -19.472 -50.484
66 HN2 A2G 10 HN2 A2G 10 -32.959 -16.523 -50.746
67 H3 A2G 10 H3 A2G 10 -33.344 -17.318 -48.389
68 HO3 A2G 10 HO3 A2G 10 -35.080 -18.220 -49.871
69 H4 A2G 10 H4 A2G 10 -33.428 -19.093 -46.751
70 HO4 A2G 10 HO4 A2G 10 -32.755 -20.923 -48.790
71 H5 A2G 10 H5 A2G 10 -31.183 -18.229 -47.310
72 H6 A2G 10 H6 A2G 10 -31.017 -21.236 -47.006
73 H8 A2G 10 H8 A2G 10 -32.910 -16.650 -53.943
74 H8A A2G 10 H8A A2G 10 -34.648 -16.615 -53.645
75 H8B A2G 10 H8B A2G 10 -33.562 -15.656 -52.640
76 H14 A2G 10 H14 A2G 10 -29.921 -20.020 -46.351
77 H15 A2G 10 H15 A2G 10 -32.653 -20.324 -45.653
Start of MODEL 22
1 H1 ACE 1 H1 ACE 1 -27.463 -8.180 -49.952
2 H2 ACE 1 H2 ACE 1 -29.169 -7.947 -49.564
3 H3 ACE 1 H3 ACE 1 -28.696 -9.106 -50.807
4 HA PRO 2 HA PRO 2 -26.765 -11.096 -46.765
5 HB2 PRO 2 HB2 PRO 2 -27.964 -9.664 -44.572
6 HB3 PRO 2 HB3 PRO 2 -26.246 -9.819 -44.968
7 HG2 PRO 2 HG2 PRO 2 -28.082 -7.606 -45.480
8 HG3 PRO 2 HG3 PRO 2 -26.313 -7.626 -45.458
9 HD2 PRO 2 HD2 PRO 2 -27.778 -7.354 -47.756
10 HD3 PRO 2 HD3 PRO 2 -26.158 -8.086 -47.717
11 H THR 3 H THR 3 -29.935 -9.884 -47.333
12 HA THR 3 HA THR 3 -31.254 -11.888 -45.674
13 HB THR 3 HB THR 3 -32.970 -10.464 -47.539
14 HG1 THR 3 HG1 THR 3 -31.110 -9.054 -45.960
15 HG21 THR 3 HG21 THR 3 -33.675 -11.586 -45.439
16 HG22 THR 3 HG22 THR 3 -34.119 -9.879 -45.458
17 HG23 THR 3 HG23 THR 3 -32.726 -10.417 -44.518
18 H THR 4 H THR 4 -29.529 -12.502 -48.110
19 HA THR 4 HA THR 4 -31.355 -14.473 -49.248
20 HB THR 4 HB THR 4 -29.807 -13.129 -51.344
21 HG1 THR 4 HG1 THR 4 -30.494 -11.382 -49.936
22 HG21 THR 4 HG21 THR 4 -32.763 -13.730 -51.068
23 HG22 THR 4 HG22 THR 4 -31.568 -14.890 -51.642
24 HG23 THR 4 HG23 THR 4 -31.879 -13.420 -52.563
25 H THR 5 H THR 5 -30.216 -16.104 -50.526
26 HA THR 5 HA THR 5 -27.303 -16.155 -50.294
27 HB THR 5 HB THR 5 -27.773 -18.656 -49.392
28 HG21 THR 5 HG21 THR 5 -26.343 -16.719 -48.455
29 HG22 THR 5 HG22 THR 5 -26.963 -17.900 -47.300
30 HG23 THR 5 HG23 THR 5 -27.752 -16.332 -47.468
31 HA PRO 6 HA PRO 6 -27.169 -18.183 -54.146
32 HB2 PRO 6 HB2 PRO 6 -25.902 -20.613 -53.256
33 HB3 PRO 6 HB3 PRO 6 -25.162 -19.231 -54.078
34 HG2 PRO 6 HG2 PRO 6 -25.150 -19.936 -51.245
35 HG3 PRO 6 HG3 PRO 6 -24.086 -18.843 -52.143
36 HD2 PRO 6 HD2 PRO 6 -25.954 -17.967 -50.340
37 HD3 PRO 6 HD3 PRO 6 -25.412 -16.997 -51.729
38 H LEU 7 H LEU 7 -29.626 -18.406 -53.522
39 HA LEU 7 HA LEU 7 -30.559 -21.044 -52.873
40 HB2 LEU 7 HB2 LEU 7 -31.880 -19.025 -52.352
41 HB3 LEU 7 HB3 LEU 7 -32.047 -18.696 -54.078
42 HG LEU 7 HG LEU 7 -33.102 -20.976 -54.325
43 HD11 LEU 7 HD11 LEU 7 -32.861 -22.379 -52.576
44 HD12 LEU 7 HD12 LEU 7 -34.049 -21.393 -51.723
45 HD13 LEU 7 HD13 LEU 7 -32.327 -21.069 -51.523
46 HD21 LEU 7 HD21 LEU 7 -35.217 -20.138 -53.845
47 HD22 LEU 7 HD22 LEU 7 -34.275 -18.647 -53.825
48 HD23 LEU 7 HD23 LEU 7 -34.705 -19.439 -52.309
49 H LYS 8 H LYS 8 -32.014 -19.480 -55.601
50 HA LYS 8 HA LYS 8 -31.718 -21.865 -57.202
51 HB2 LYS 8 HB2 LYS 8 -32.873 -19.176 -57.978
52 HB3 LYS 8 HB3 LYS 8 -33.110 -20.709 -58.818
53 HG2 LYS 8 HG2 LYS 8 -33.976 -21.527 -56.466
54 HG3 LYS 8 HG3 LYS 8 -34.225 -19.803 -56.182
55 HD2 LYS 8 HD2 LYS 8 -35.374 -21.439 -58.461
56 HD3 LYS 8 HD3 LYS 8 -36.269 -20.750 -57.106
57 HE2 LYS 8 HE2 LYS 8 -34.896 -19.287 -59.365
58 HE3 LYS 8 HE3 LYS 8 -36.598 -19.225 -58.904
59 HZ1 LYS 8 HZ1 LYS 8 -34.277 -18.114 -57.435
60 HZ2 LYS 8 HZ2 LYS 8 -35.815 -18.283 -56.733
61 HZ3 LYS 8 HZ3 LYS 8 -35.600 -17.272 -58.081
62 HN1 NH2 9 HN1 NH2 9 -29.032 -19.291 -57.257
63 HN2 NH2 9 HN2 NH2 9 -30.163 -18.415 -58.172
64 H1 A2G 10 H1 A2G 10 -29.819 -19.249 -49.975
65 H2 A2G 10 H2 A2G 10 -31.851 -20.095 -48.856
66 HN2 A2G 10 HN2 A2G 10 -31.876 -17.161 -49.251
67 H3 A2G 10 H3 A2G 10 -31.360 -17.891 -46.843
68 HO3 A2G 10 HO3 A2G 10 -33.546 -18.651 -47.396
69 H4 A2G 10 H4 A2G 10 -30.781 -19.621 -45.261
70 HO4 A2G 10 HO4 A2G 10 -31.583 -21.284 -47.379
71 H5 A2G 10 H5 A2G 10 -28.939 -18.812 -46.688
72 H6 A2G 10 H6 A2G 10 -28.844 -21.813 -46.233
73 H8 A2G 10 H8 A2G 10 -33.691 -17.390 -51.974
74 H8A A2G 10 H8A A2G 10 -34.842 -17.186 -50.654
75 H8B A2G 10 H8B A2G 10 -33.307 -16.318 -50.627
76 H14 A2G 10 H14 A2G 10 -27.444 -20.764 -46.454
77 H15 A2G 10 H15 A2G 10 -28.086 -19.637 -44.581
Start of MODEL 23
1 H1 ACE 1 H1 ACE 1 -26.449 -10.349 -50.746
2 H2 ACE 1 H2 ACE 1 -28.182 -10.078 -50.570
3 H3 ACE 1 H3 ACE 1 -27.572 -11.702 -50.882
4 HA PRO 2 HA PRO 2 -25.708 -10.744 -46.452
5 HB2 PRO 2 HB2 PRO 2 -27.105 -8.399 -45.534
6 HB3 PRO 2 HB3 PRO 2 -25.363 -8.615 -45.765
7 HG2 PRO 2 HG2 PRO 2 -27.318 -7.295 -47.486
8 HG3 PRO 2 HG3 PRO 2 -25.555 -7.151 -47.460
9 HD2 PRO 2 HD2 PRO 2 -26.924 -8.415 -49.468
10 HD3 PRO 2 HD3 PRO 2 -25.261 -8.844 -49.005
11 H THR 3 H THR 3 -28.979 -9.352 -46.855
12 HA THR 3 HA THR 3 -29.995 -11.021 -44.690
13 HB THR 3 HB THR 3 -30.645 -8.577 -45.067
14 HG1 THR 3 HG1 THR 3 -32.976 -10.068 -45.123
15 HG21 THR 3 HG21 THR 3 -32.020 -7.983 -46.829
16 HG22 THR 3 HG22 THR 3 -32.659 -9.616 -47.017
17 HG23 THR 3 HG23 THR 3 -31.045 -9.227 -47.612
18 H THR 4 H THR 4 -29.082 -12.131 -47.333
19 HA THR 4 HA THR 4 -31.404 -13.845 -47.762
20 HB THR 4 HB THR 4 -30.296 -13.090 -50.335
21 HG1 THR 4 HG1 THR 4 -30.834 -10.995 -50.344
22 HG21 THR 4 HG21 THR 4 -32.638 -12.915 -50.905
23 HG22 THR 4 HG22 THR 4 -33.090 -12.795 -49.205
24 HG23 THR 4 HG23 THR 4 -32.443 -14.307 -49.840
25 H THR 5 H THR 5 -30.648 -15.363 -49.800
26 HA THR 5 HA THR 5 -27.830 -16.089 -49.510
27 HB THR 5 HB THR 5 -28.522 -18.502 -49.096
28 HG21 THR 5 HG21 THR 5 -27.837 -16.562 -47.361
29 HG22 THR 5 HG22 THR 5 -28.245 -18.195 -46.836
30 HG23 THR 5 HG23 THR 5 -29.456 -16.915 -46.758
31 HA PRO 6 HA PRO 6 -27.824 -17.102 -53.755
32 HB2 PRO 6 HB2 PRO 6 -27.033 -19.854 -53.451
33 HB3 PRO 6 HB3 PRO 6 -26.028 -18.471 -53.908
34 HG2 PRO 6 HG2 PRO 6 -26.294 -19.804 -51.323
35 HG3 PRO 6 HG3 PRO 6 -25.014 -18.738 -51.918
36 HD2 PRO 6 HD2 PRO 6 -26.809 -17.988 -49.989
37 HD3 PRO 6 HD3 PRO 6 -26.035 -16.834 -51.099
38 H LEU 7 H LEU 7 -29.860 -17.183 -54.578
39 HA LEU 7 HA LEU 7 -31.819 -19.106 -53.761
40 HB2 LEU 7 HB2 LEU 7 -32.249 -17.799 -56.356
41 HB3 LEU 7 HB3 LEU 7 -33.260 -17.799 -54.911
42 HG LEU 7 HG LEU 7 -31.419 -16.244 -53.913
43 HD11 LEU 7 HD11 LEU 7 -30.990 -15.261 -56.671
44 HD12 LEU 7 HD12 LEU 7 -30.170 -16.773 -56.281
45 HD13 LEU 7 HD13 LEU 7 -29.867 -15.331 -55.313
46 HD21 LEU 7 HD21 LEU 7 -33.385 -15.092 -54.154
47 HD22 LEU 7 HD22 LEU 7 -33.637 -15.668 -55.802
48 HD23 LEU 7 HD23 LEU 7 -32.525 -14.333 -55.494
49 H LYS 8 H LYS 8 -33.008 -20.357 -55.589
50 HA LYS 8 HA LYS 8 -31.101 -22.228 -56.681
51 HB2 LYS 8 HB2 LYS 8 -34.112 -22.052 -56.703
52 HB3 LYS 8 HB3 LYS 8 -33.240 -23.296 -57.598
53 HG2 LYS 8 HG2 LYS 8 -32.485 -22.874 -54.742
54 HG3 LYS 8 HG3 LYS 8 -34.019 -23.681 -55.069
55 HD2 LYS 8 HD2 LYS 8 -32.997 -25.482 -56.150
56 HD3 LYS 8 HD3 LYS 8 -31.542 -24.559 -56.524
57 HE2 LYS 8 HE2 LYS 8 -30.739 -24.704 -54.304
58 HE3 LYS 8 HE3 LYS 8 -32.319 -25.170 -53.673
59 HZ1 LYS 8 HZ1 LYS 8 -30.788 -27.052 -53.836
60 HZ2 LYS 8 HZ2 LYS 8 -30.665 -26.812 -55.513
61 HZ3 LYS 8 HZ3 LYS 8 -32.150 -27.264 -54.822
62 HN1 NH2 9 HN1 NH2 9 -32.418 -21.938 -60.106
63 HN2 NH2 9 HN2 NH2 9 -31.191 -22.759 -59.270
64 H1 A2G 10 H1 A2G 10 -30.320 -18.977 -50.469
65 H2 A2G 10 H2 A2G 10 -32.390 -20.254 -50.083
66 HN2 A2G 10 HN2 A2G 10 -32.832 -17.347 -49.731
67 H3 A2G 10 H3 A2G 10 -32.675 -18.612 -47.554
68 HO3 A2G 10 HO3 A2G 10 -34.575 -19.346 -48.665
69 H4 A2G 10 H4 A2G 10 -32.153 -20.616 -46.316
70 HO4 A2G 10 HO4 A2G 10 -32.395 -21.752 -48.846
71 H5 A2G 10 H5 A2G 10 -30.198 -19.305 -47.050
72 H6 A2G 10 H6 A2G 10 -29.693 -22.283 -47.342
73 H8 A2G 10 H8 A2G 10 -33.915 -16.947 -52.828
74 H8A A2G 10 H8A A2G 10 -35.319 -17.326 -51.830
75 H8B A2G 10 H8B A2G 10 -34.031 -16.304 -51.189
76 H14 A2G 10 H14 A2G 10 -28.517 -21.063 -46.856
77 H15 A2G 10 H15 A2G 10 -29.220 -21.802 -44.966
Start of MODEL 24
1 H1 ACE 1 H1 ACE 1 -25.697 -9.062 -44.503
2 H2 ACE 1 H2 ACE 1 -25.596 -7.891 -45.818
3 H3 ACE 1 H3 ACE 1 -25.280 -9.597 -46.131
4 HA PRO 2 HA PRO 2 -29.807 -8.089 -46.991
5 HB2 PRO 2 HB2 PRO 2 -29.516 -9.472 -49.502
6 HB3 PRO 2 HB3 PRO 2 -29.764 -7.742 -49.228
7 HG2 PRO 2 HG2 PRO 2 -27.306 -9.195 -49.834
8 HG3 PRO 2 HG3 PRO 2 -27.666 -7.470 -49.988
9 HD2 PRO 2 HD2 PRO 2 -25.978 -8.481 -48.082
10 HD3 PRO 2 HD3 PRO 2 -26.915 -6.986 -47.858
11 H THR 3 H THR 3 -31.586 -9.660 -47.719
12 HA THR 3 HA THR 3 -31.192 -12.176 -46.297
13 HB THR 3 HB THR 3 -33.728 -11.206 -47.618
14 HG1 THR 3 HG1 THR 3 -32.766 -10.694 -45.000
15 HG21 THR 3 HG21 THR 3 -33.223 -12.984 -45.216
16 HG22 THR 3 HG22 THR 3 -33.593 -13.571 -46.837
17 HG23 THR 3 HG23 THR 3 -34.788 -12.628 -45.947
18 H THR 4 H THR 4 -29.635 -12.774 -48.125
19 HA THR 4 HA THR 4 -31.090 -14.497 -49.976
20 HB THR 4 HB THR 4 -29.163 -13.466 -51.657
21 HG1 THR 4 HG1 THR 4 -29.510 -11.710 -49.749
22 HG21 THR 4 HG21 THR 4 -32.097 -12.828 -51.309
23 HG22 THR 4 HG22 THR 4 -31.369 -14.001 -52.406
24 HG23 THR 4 HG23 THR 4 -31.160 -12.275 -52.696
25 H THR 5 H THR 5 -29.807 -16.195 -50.824
26 HA THR 5 HA THR 5 -27.034 -16.412 -49.929
27 HB THR 5 HB THR 5 -27.799 -18.853 -49.139
28 HG21 THR 5 HG21 THR 5 -26.582 -17.071 -47.832
29 HG22 THR 5 HG22 THR 5 -27.701 -18.033 -46.867
30 HG23 THR 5 HG23 THR 5 -28.153 -16.410 -47.383
31 HA PRO 6 HA PRO 6 -26.145 -18.506 -53.649
32 HB2 PRO 6 HB2 PRO 6 -25.255 -20.984 -52.479
33 HB3 PRO 6 HB3 PRO 6 -24.271 -19.660 -53.121
34 HG2 PRO 6 HG2 PRO 6 -24.941 -20.309 -50.353
35 HG3 PRO 6 HG3 PRO 6 -23.639 -19.295 -50.994
36 HD2 PRO 6 HD2 PRO 6 -25.812 -18.282 -49.669
37 HD3 PRO 6 HD3 PRO 6 -24.915 -17.371 -50.905
38 H LEU 7 H LEU 7 -28.615 -18.598 -53.797
39 HA LEU 7 HA LEU 7 -29.386 -21.231 -54.604
40 HB2 LEU 7 HB2 LEU 7 -29.676 -21.150 -52.016
41 HB3 LEU 7 HB3 LEU 7 -31.081 -20.145 -52.374
42 HG LEU 7 HG LEU 7 -31.599 -22.083 -54.113
43 HD11 LEU 7 HD11 LEU 7 -30.697 -24.165 -53.640
44 HD12 LEU 7 HD12 LEU 7 -30.372 -23.756 -51.955
45 HD13 LEU 7 HD13 LEU 7 -29.324 -23.135 -53.231
46 HD21 LEU 7 HD21 LEU 7 -33.173 -21.563 -52.406
47 HD22 LEU 7 HD22 LEU 7 -32.073 -22.077 -51.128
48 HD23 LEU 7 HD23 LEU 7 -32.819 -23.276 -52.184
49 H LYS 8 H LYS 8 -32.258 -20.369 -53.845
50 HA LYS 8 HA LYS 8 -32.725 -18.014 -55.445
51 HB2 LYS 8 HB2 LYS 8 -32.427 -20.314 -56.901
52 HB3 LYS 8 HB3 LYS 8 -34.168 -20.295 -56.617
53 HG2 LYS 8 HG2 LYS 8 -34.140 -17.861 -57.372
54 HG3 LYS 8 HG3 LYS 8 -32.485 -18.141 -57.913
55 HD2 LYS 8 HD2 LYS 8 -34.934 -19.678 -58.829
56 HD3 LYS 8 HD3 LYS 8 -34.053 -18.477 -59.774
57 HE2 LYS 8 HE2 LYS 8 -31.982 -20.027 -59.238
58 HE3 LYS 8 HE3 LYS 8 -33.226 -21.252 -58.998
59 HZ1 LYS 8 HZ1 LYS 8 -32.339 -19.974 -61.433
60 HZ2 LYS 8 HZ2 LYS 8 -34.027 -20.101 -61.279
61 HZ3 LYS 8 HZ3 LYS 8 -33.056 -21.493 -61.203
62 HN1 NH2 9 HN1 NH2 9 -36.198 -18.311 -54.491
63 HN2 NH2 9 HN2 NH2 9 -35.063 -17.383 -55.347
64 H1 A2G 10 H1 A2G 10 -29.660 -19.240 -50.394
65 H2 A2G 10 H2 A2G 10 -31.936 -20.074 -49.920
66 HN2 A2G 10 HN2 A2G 10 -31.789 -17.117 -49.975
67 H3 A2G 10 H3 A2G 10 -31.911 -18.105 -47.618
68 HO3 A2G 10 HO3 A2G 10 -33.926 -18.828 -47.288
69 H4 A2G 10 H4 A2G 10 -31.805 -20.015 -46.141
70 HO4 A2G 10 HO4 A2G 10 -32.705 -21.711 -47.003
71 H5 A2G 10 H5 A2G 10 -29.638 -19.174 -46.964
72 H6 A2G 10 H6 A2G 10 -29.732 -22.207 -46.843
73 H8 A2G 10 H8 A2G 10 -32.818 -16.959 -53.088
74 H8A A2G 10 H8A A2G 10 -34.275 -16.860 -52.098
75 H8B A2G 10 H8B A2G 10 -32.792 -16.065 -51.567
76 H14 A2G 10 H14 A2G 10 -28.309 -21.207 -46.558
77 H15 A2G 10 H15 A2G 10 -29.977 -20.178 -44.969
Start of MODEL 25
1 H1 ACE 1 H1 ACE 1 -33.883 -6.950 -45.379
2 H2 ACE 1 H2 ACE 1 -33.841 -6.944 -47.142
3 H3 ACE 1 H3 ACE 1 -32.798 -5.851 -46.231
4 HA PRO 2 HA PRO 2 -31.039 -10.251 -44.970
5 HB2 PRO 2 HB2 PRO 2 -32.207 -12.096 -46.848
6 HB3 PRO 2 HB3 PRO 2 -32.336 -12.103 -45.083
7 HG2 PRO 2 HG2 PRO 2 -34.243 -11.161 -47.083
8 HG3 PRO 2 HG3 PRO 2 -34.502 -11.586 -45.385
9 HD2 PRO 2 HD2 PRO 2 -34.597 -9.011 -46.315
10 HD3 PRO 2 HD3 PRO 2 -34.129 -9.427 -44.651
11 H THR 3 H THR 3 -29.472 -11.656 -46.200
12 HA THR 3 HA THR 3 -28.444 -10.163 -48.485
13 HB THR 3 HB THR 3 -26.410 -11.348 -48.150
14 HG1 THR 3 HG1 THR 3 -28.133 -13.216 -47.097
15 HG21 THR 3 HG21 THR 3 -27.280 -11.300 -45.307
16 HG22 THR 3 HG22 THR 3 -27.461 -9.801 -46.218
17 HG23 THR 3 HG23 THR 3 -25.874 -10.554 -46.067
18 H THR 4 H THR 4 -27.117 -12.942 -49.105
19 HA THR 4 HA THR 4 -29.322 -14.284 -50.465
20 HB THR 4 HB THR 4 -27.962 -14.217 -52.637
21 HG1 THR 4 HG1 THR 4 -26.966 -11.788 -51.726
22 HG21 THR 4 HG21 THR 4 -30.091 -12.969 -52.211
23 HG22 THR 4 HG22 THR 4 -29.005 -12.134 -53.322
24 HG23 THR 4 HG23 THR 4 -29.130 -11.605 -51.644
25 H THR 5 H THR 5 -28.708 -16.363 -51.335
26 HA THR 5 HA THR 5 -26.064 -17.381 -50.623
27 HB THR 5 HB THR 5 -27.510 -19.405 -49.582
28 HG21 THR 5 HG21 THR 5 -25.609 -17.945 -48.607
29 HG22 THR 5 HG22 THR 5 -26.738 -18.679 -47.469
30 HG23 THR 5 HG23 THR 5 -26.903 -16.977 -47.900
31 HA PRO 6 HA PRO 6 -26.209 -19.882 -54.188
32 HB2 PRO 6 HB2 PRO 6 -26.049 -22.439 -52.872
33 HB3 PRO 6 HB3 PRO 6 -24.756 -21.543 -53.682
34 HG2 PRO 6 HG2 PRO 6 -25.356 -21.777 -50.834
35 HG3 PRO 6 HG3 PRO 6 -23.861 -21.275 -51.638
36 HD2 PRO 6 HD2 PRO 6 -25.479 -19.540 -50.269
37 HD3 PRO 6 HD3 PRO 6 -24.451 -19.041 -51.632
38 H LEU 7 H LEU 7 -28.516 -19.277 -54.416
39 HA LEU 7 HA LEU 7 -30.158 -21.600 -54.737
40 HB2 LEU 7 HB2 LEU 7 -30.291 -20.824 -52.209
41 HB3 LEU 7 HB3 LEU 7 -31.398 -19.621 -52.873
42 HG LEU 7 HG LEU 7 -32.414 -21.740 -54.113
43 HD11 LEU 7 HD11 LEU 7 -31.601 -23.056 -51.543
44 HD12 LEU 7 HD12 LEU 7 -30.484 -23.085 -52.906
45 HD13 LEU 7 HD13 LEU 7 -32.092 -23.793 -53.067
46 HD21 LEU 7 HD21 LEU 7 -33.889 -22.060 -52.038
47 HD22 LEU 7 HD22 LEU 7 -33.771 -20.416 -52.664
48 HD23 LEU 7 HD23 LEU 7 -32.841 -20.885 -51.242
49 H LYS 8 H LYS 8 -32.631 -19.983 -54.468
50 HA LYS 8 HA LYS 8 -32.584 -18.821 -57.109
51 HB2 LYS 8 HB2 LYS 8 -34.750 -18.999 -55.004
52 HB3 LYS 8 HB3 LYS 8 -34.990 -18.325 -56.616
53 HG2 LYS 8 HG2 LYS 8 -34.153 -20.513 -57.561
54 HG3 LYS 8 HG3 LYS 8 -34.188 -21.161 -55.921
55 HD2 LYS 8 HD2 LYS 8 -36.559 -20.008 -57.421
56 HD3 LYS 8 HD3 LYS 8 -36.269 -21.720 -57.107
57 HE2 LYS 8 HE2 LYS 8 -36.107 -20.885 -54.592
58 HE3 LYS 8 HE3 LYS 8 -37.090 -19.557 -55.208
59 HZ1 LYS 8 HZ1 LYS 8 -38.526 -21.282 -54.438
60 HZ2 LYS 8 HZ2 LYS 8 -37.712 -22.455 -55.360
61 HZ3 LYS 8 HZ3 LYS 8 -38.618 -21.243 -56.131
62 HN1 NH2 9 HN1 NH2 9 -33.953 -15.667 -56.132
63 HN2 NH2 9 HN2 NH2 9 -34.428 -16.642 -54.824
64 H1 A2G 10 H1 A2G 10 -29.544 -19.345 -50.439
65 H2 A2G 10 H2 A2G 10 -31.863 -19.280 -49.592
66 HN2 A2G 10 HN2 A2G 10 -30.876 -16.556 -50.200
67 H3 A2G 10 H3 A2G 10 -30.867 -17.096 -47.745
68 HO3 A2G 10 HO3 A2G 10 -33.329 -18.244 -48.394
69 H4 A2G 10 H4 A2G 10 -31.134 -18.669 -45.932
70 HO4 A2G 10 HO4 A2G 10 -31.890 -20.717 -46.283
71 H5 A2G 10 H5 A2G 10 -28.968 -18.748 -47.110
72 H6 A2G 10 H6 A2G 10 -29.927 -21.546 -46.434
73 H8 A2G 10 H8 A2G 10 -32.084 -16.615 -53.281
74 H8A A2G 10 H8A A2G 10 -33.333 -15.939 -52.236
75 H8B A2G 10 H8B A2G 10 -31.637 -15.549 -51.949
76 H14 A2G 10 H14 A2G 10 -28.267 -20.955 -46.371
77 H15 A2G 10 H15 A2G 10 -30.355 -20.590 -44.607
Start of MODEL 26
1 H1 ACE 1 H1 ACE 1 -32.265 -7.760 -50.914
2 H2 ACE 1 H2 ACE 1 -33.342 -7.234 -49.621
3 H3 ACE 1 H3 ACE 1 -32.996 -8.950 -49.836
4 HA PRO 2 HA PRO 2 -30.034 -7.268 -46.688
5 HB2 PRO 2 HB2 PRO 2 -30.792 -9.432 -44.942
6 HB3 PRO 2 HB3 PRO 2 -31.077 -7.699 -44.727
7 HG2 PRO 2 HG2 PRO 2 -33.023 -9.600 -45.202
8 HG3 PRO 2 HG3 PRO 2 -33.206 -7.856 -45.435
9 HD2 PRO 2 HD2 PRO 2 -32.769 -9.988 -47.471
10 HD3 PRO 2 HD3 PRO 2 -33.631 -8.441 -47.621
11 H THR 3 H THR 3 -30.767 -10.695 -47.345
12 HA THR 3 HA THR 3 -27.968 -11.178 -48.004
13 HB THR 3 HB THR 3 -28.029 -11.583 -45.582
14 HG1 THR 3 HG1 THR 3 -27.132 -13.147 -47.365
15 HG21 THR 3 HG21 THR 3 -29.778 -12.571 -44.565
16 HG22 THR 3 HG22 THR 3 -29.709 -13.953 -45.660
17 HG23 THR 3 HG23 THR 3 -30.613 -12.509 -46.118
18 H THR 4 H THR 4 -27.642 -13.244 -49.054
19 HA THR 4 HA THR 4 -30.019 -14.751 -49.823
20 HB THR 4 HB THR 4 -29.527 -14.497 -52.244
21 HG1 THR 4 HG1 THR 4 -28.061 -12.209 -51.793
22 HG21 THR 4 HG21 THR 4 -29.933 -11.790 -50.965
23 HG22 THR 4 HG22 THR 4 -31.177 -13.040 -50.943
24 HG23 THR 4 HG23 THR 4 -30.609 -12.387 -52.481
25 H THR 5 H THR 5 -29.509 -16.760 -50.876
26 HA THR 5 HA THR 5 -26.691 -17.544 -50.952
27 HB THR 5 HB THR 5 -27.621 -19.716 -49.674
28 HG21 THR 5 HG21 THR 5 -26.893 -18.351 -47.511
29 HG22 THR 5 HG22 THR 5 -26.403 -17.158 -48.713
30 HG23 THR 5 HG23 THR 5 -25.714 -18.781 -48.750
31 HA PRO 6 HA PRO 6 -27.570 -19.958 -54.477
32 HB2 PRO 6 HB2 PRO 6 -26.849 -22.517 -53.370
33 HB3 PRO 6 HB3 PRO 6 -25.901 -21.485 -54.450
34 HG2 PRO 6 HG2 PRO 6 -25.696 -21.838 -51.559
35 HG3 PRO 6 HG3 PRO 6 -24.518 -21.180 -52.704
36 HD2 PRO 6 HD2 PRO 6 -25.853 -19.636 -50.877
37 HD3 PRO 6 HD3 PRO 6 -25.272 -19.012 -52.438
38 H LEU 7 H LEU 7 -29.906 -19.462 -53.699
39 HA LEU 7 HA LEU 7 -31.438 -21.862 -53.963
40 HB2 LEU 7 HB2 LEU 7 -30.757 -21.790 -51.480
41 HB3 LEU 7 HB3 LEU 7 -31.865 -20.423 -51.351
42 HG LEU 7 HG LEU 7 -33.385 -22.236 -52.742
43 HD11 LEU 7 HD11 LEU 7 -31.642 -23.976 -52.434
44 HD12 LEU 7 HD12 LEU 7 -33.138 -24.396 -51.600
45 HD13 LEU 7 HD13 LEU 7 -31.765 -23.770 -50.686
46 HD21 LEU 7 HD21 LEU 7 -34.249 -20.989 -50.886
47 HD22 LEU 7 HD22 LEU 7 -33.103 -21.731 -49.769
48 HD23 LEU 7 HD23 LEU 7 -34.418 -22.690 -50.450
49 H LYS 8 H LYS 8 -31.047 -19.061 -55.013
50 HA LYS 8 HA LYS 8 -33.519 -17.679 -54.455
51 HB2 LYS 8 HB2 LYS 8 -32.716 -16.277 -56.468
52 HB3 LYS 8 HB3 LYS 8 -31.733 -16.247 -55.004
53 HG2 LYS 8 HG2 LYS 8 -30.025 -17.455 -55.955
54 HG3 LYS 8 HG3 LYS 8 -31.116 -18.377 -56.991
55 HD2 LYS 8 HD2 LYS 8 -30.760 -15.431 -57.461
56 HD3 LYS 8 HD3 LYS 8 -29.552 -16.565 -58.067
57 HE2 LYS 8 HE2 LYS 8 -30.987 -17.489 -59.606
58 HE3 LYS 8 HE3 LYS 8 -32.406 -17.237 -58.590
59 HZ1 LYS 8 HZ1 LYS 8 -32.695 -15.137 -59.344
60 HZ2 LYS 8 HZ2 LYS 8 -31.925 -15.775 -60.718
61 HZ3 LYS 8 HZ3 LYS 8 -31.039 -14.862 -59.592
62 HN1 NH2 9 HN1 NH2 9 -35.704 -18.253 -56.145
63 HN2 NH2 9 HN2 NH2 9 -34.935 -17.424 -57.410
64 H1 A2G 10 H1 A2G 10 -29.841 -19.622 -50.228
65 H2 A2G 10 H2 A2G 10 -31.962 -19.839 -48.980
66 HN2 A2G 10 HN2 A2G 10 -31.172 -17.000 -49.272
67 H3 A2G 10 H3 A2G 10 -30.695 -17.942 -46.986
68 HO3 A2G 10 HO3 A2G 10 -32.669 -17.753 -46.358
69 H4 A2G 10 H4 A2G 10 -30.577 -19.812 -45.461
70 HO4 A2G 10 HO4 A2G 10 -31.465 -21.508 -47.529
71 H5 A2G 10 H5 A2G 10 -28.668 -19.565 -47.005
72 H6 A2G 10 H6 A2G 10 -29.345 -22.505 -46.758
73 H8 A2G 10 H8 A2G 10 -32.886 -16.515 -51.971
74 H8A A2G 10 H8A A2G 10 -34.083 -16.268 -50.700
75 H8B A2G 10 H8B A2G 10 -32.426 -15.713 -50.470
76 H14 A2G 10 H14 A2G 10 -27.748 -21.759 -46.724
77 H15 A2G 10 H15 A2G 10 -29.803 -21.614 -44.790
Start of MODEL 27
1 H1 ACE 1 H1 ACE 1 -29.510 -4.972 -44.996
2 H2 ACE 1 H2 ACE 1 -28.287 -6.073 -44.361
3 H3 ACE 1 H3 ACE 1 -29.814 -5.864 -43.505
4 HA PRO 2 HA PRO 2 -31.258 -7.924 -47.714
5 HB2 PRO 2 HB2 PRO 2 -28.843 -8.908 -48.938
6 HB3 PRO 2 HB3 PRO 2 -30.007 -7.745 -49.591
7 HG2 PRO 2 HG2 PRO 2 -27.416 -7.275 -48.328
8 HG3 PRO 2 HG3 PRO 2 -28.378 -6.211 -49.364
9 HD2 PRO 2 HD2 PRO 2 -28.042 -5.782 -46.679
10 HD3 PRO 2 HD3 PRO 2 -29.482 -5.249 -47.576
11 H THR 3 H THR 3 -31.230 -10.291 -48.329
12 HA THR 3 HA THR 3 -29.699 -12.038 -46.569
13 HB THR 3 HB THR 3 -32.295 -13.028 -46.278
14 HG1 THR 3 HG1 THR 3 -32.510 -10.519 -46.828
15 HG21 THR 3 HG21 THR 3 -31.941 -12.295 -43.890
16 HG22 THR 3 HG22 THR 3 -30.493 -11.445 -44.432
17 HG23 THR 3 HG23 THR 3 -30.594 -13.200 -44.580
18 H THR 4 H THR 4 -28.818 -13.102 -48.293
19 HA THR 4 HA THR 4 -30.605 -14.880 -49.763
20 HB THR 4 HB THR 4 -29.388 -14.238 -51.925
21 HG1 THR 4 HG1 THR 4 -27.803 -12.925 -51.294
22 HG21 THR 4 HG21 THR 4 -31.765 -13.681 -51.372
23 HG22 THR 4 HG22 THR 4 -30.990 -12.477 -52.401
24 HG23 THR 4 HG23 THR 4 -31.205 -12.159 -50.679
25 H THR 5 H THR 5 -29.416 -16.564 -50.930
26 HA THR 5 HA THR 5 -26.595 -16.881 -50.240
27 HB THR 5 HB THR 5 -27.403 -19.354 -49.536
28 HG21 THR 5 HG21 THR 5 -26.006 -17.586 -48.286
29 HG22 THR 5 HG22 THR 5 -26.922 -18.724 -47.299
30 HG23 THR 5 HG23 THR 5 -27.527 -17.086 -47.546
31 HA PRO 6 HA PRO 6 -26.000 -18.806 -54.103
32 HB2 PRO 6 HB2 PRO 6 -25.126 -21.372 -53.126
33 HB3 PRO 6 HB3 PRO 6 -24.137 -20.044 -53.755
34 HG2 PRO 6 HG2 PRO 6 -24.662 -20.828 -50.991
35 HG3 PRO 6 HG3 PRO 6 -23.367 -19.819 -51.654
36 HD2 PRO 6 HD2 PRO 6 -25.422 -18.817 -50.144
37 HD3 PRO 6 HD3 PRO 6 -24.571 -17.866 -51.382
38 H LEU 7 H LEU 7 -28.385 -18.849 -54.346
39 HA LEU 7 HA LEU 7 -29.293 -21.472 -55.047
40 HB2 LEU 7 HB2 LEU 7 -29.651 -21.138 -52.449
41 HB3 LEU 7 HB3 LEU 7 -31.050 -20.207 -52.987
42 HG LEU 7 HG LEU 7 -31.407 -22.332 -54.555
43 HD11 LEU 7 HD11 LEU 7 -29.994 -23.465 -52.121
44 HD12 LEU 7 HD12 LEU 7 -29.319 -23.425 -53.750
45 HD13 LEU 7 HD13 LEU 7 -30.752 -24.396 -53.413
46 HD21 LEU 7 HD21 LEU 7 -33.111 -21.634 -53.035
47 HD22 LEU 7 HD22 LEU 7 -32.117 -22.021 -51.631
48 HD23 LEU 7 HD23 LEU 7 -32.781 -23.317 -52.626
49 H LYS 8 H LYS 8 -32.126 -20.685 -54.681
50 HA LYS 8 HA LYS 8 -32.401 -19.187 -57.134
51 HB2 LYS 8 HB2 LYS 8 -33.897 -21.105 -56.399
52 HB3 LYS 8 HB3 LYS 8 -34.608 -19.988 -55.234
53 HG2 LYS 8 HG2 LYS 8 -35.187 -18.442 -57.076
54 HG3 LYS 8 HG3 LYS 8 -34.503 -19.581 -58.236
55 HD2 LYS 8 HD2 LYS 8 -36.209 -21.191 -56.802
56 HD3 LYS 8 HD3 LYS 8 -37.089 -19.663 -56.835
57 HE2 LYS 8 HE2 LYS 8 -36.734 -19.575 -59.315
58 HE3 LYS 8 HE3 LYS 8 -36.009 -21.180 -59.228
59 HZ1 LYS 8 HZ1 LYS 8 -38.496 -21.106 -57.859
60 HZ2 LYS 8 HZ2 LYS 8 -38.005 -22.107 -59.141
61 HZ3 LYS 8 HZ3 LYS 8 -38.686 -20.584 -59.462
62 HN1 NH2 9 HN1 NH2 9 -32.261 -16.124 -55.990
63 HN2 NH2 9 HN2 NH2 9 -31.200 -17.221 -55.247
64 H1 A2G 10 H1 A2G 10 -29.353 -19.751 -50.487
65 H2 A2G 10 H2 A2G 10 -31.609 -20.464 -49.775
66 HN2 A2G 10 HN2 A2G 10 -31.414 -17.515 -49.970
67 H3 A2G 10 H3 A2G 10 -31.314 -18.376 -47.600
68 HO3 A2G 10 HO3 A2G 10 -33.420 -18.688 -48.275
69 H4 A2G 10 H4 A2G 10 -31.152 -20.207 -46.031
70 HO4 A2G 10 HO4 A2G 10 -32.459 -21.565 -47.605
71 H5 A2G 10 H5 A2G 10 -29.033 -19.503 -47.080
72 H6 A2G 10 H6 A2G 10 -29.160 -22.525 -46.840
73 H8 A2G 10 H8 A2G 10 -32.549 -17.428 -53.043
74 H8A A2G 10 H8A A2G 10 -33.979 -17.355 -52.013
75 H8B A2G 10 H8B A2G 10 -32.504 -16.513 -51.536
76 H14 A2G 10 H14 A2G 10 -27.743 -21.504 -46.598
77 H15 A2G 10 H15 A2G 10 -29.381 -22.254 -44.770
Start of MODEL 28
1 H1 ACE 1 H1 ACE 1 -27.728 -9.965 -50.634
2 H2 ACE 1 H2 ACE 1 -26.481 -11.211 -50.675
3 H3 ACE 1 H3 ACE 1 -26.097 -9.599 -50.071
4 HA PRO 2 HA PRO 2 -27.613 -10.616 -46.044
5 HB2 PRO 2 HB2 PRO 2 -29.947 -8.939 -45.832
6 HB3 PRO 2 HB3 PRO 2 -28.313 -8.624 -45.229
7 HG2 PRO 2 HG2 PRO 2 -29.558 -7.260 -47.283
8 HG3 PRO 2 HG3 PRO 2 -27.817 -7.286 -46.968
9 HD2 PRO 2 HD2 PRO 2 -29.378 -8.763 -49.036
10 HD3 PRO 2 HD3 PRO 2 -27.698 -8.183 -49.085
11 H THR 3 H THR 3 -30.751 -10.020 -47.653
12 HA THR 3 HA THR 3 -31.877 -12.383 -46.366
13 HB THR 3 HB THR 3 -33.974 -11.583 -47.606
14 HG1 THR 3 HG1 THR 3 -32.411 -9.246 -47.894
15 HG21 THR 3 HG21 THR 3 -32.528 -10.364 -45.349
16 HG22 THR 3 HG22 THR 3 -34.196 -10.929 -45.445
17 HG23 THR 3 HG23 THR 3 -33.769 -9.330 -46.055
18 H THR 4 H THR 4 -29.798 -12.753 -48.368
19 HA THR 4 HA THR 4 -31.242 -14.611 -50.094
20 HB THR 4 HB THR 4 -29.891 -13.735 -52.088
21 HG1 THR 4 HG1 THR 4 -28.530 -12.282 -51.330
22 HG21 THR 4 HG21 THR 4 -32.023 -11.911 -50.943
23 HG22 THR 4 HG22 THR 4 -32.355 -13.441 -51.756
24 HG23 THR 4 HG23 THR 4 -31.610 -12.112 -52.645
25 H THR 5 H THR 5 -29.970 -16.314 -50.832
26 HA THR 5 HA THR 5 -27.111 -16.316 -50.230
27 HB THR 5 HB THR 5 -27.650 -18.703 -49.146
28 HG21 THR 5 HG21 THR 5 -27.969 -16.135 -47.573
29 HG22 THR 5 HG22 THR 5 -26.414 -16.730 -48.153
30 HG23 THR 5 HG23 THR 5 -27.341 -17.675 -46.989
31 HA PRO 6 HA PRO 6 -26.483 -18.722 -53.808
32 HB2 PRO 6 HB2 PRO 6 -25.391 -21.057 -52.522
33 HB3 PRO 6 HB3 PRO 6 -24.523 -19.766 -53.365
34 HG2 PRO 6 HG2 PRO 6 -24.907 -20.189 -50.502
35 HG3 PRO 6 HG3 PRO 6 -23.712 -19.196 -51.347
36 HD2 PRO 6 HD2 PRO 6 -25.790 -18.137 -49.911
37 HD3 PRO 6 HD3 PRO 6 -25.049 -17.312 -51.301
38 H LEU 7 H LEU 7 -28.820 -18.999 -54.048
39 HA LEU 7 HA LEU 7 -29.553 -21.759 -54.257
40 HB2 LEU 7 HB2 LEU 7 -29.971 -20.899 -51.759
41 HB3 LEU 7 HB3 LEU 7 -31.459 -20.301 -52.496
42 HG LEU 7 HG LEU 7 -30.448 -23.158 -52.636
43 HD11 LEU 7 HD11 LEU 7 -32.939 -22.139 -51.266
44 HD12 LEU 7 HD12 LEU 7 -31.398 -22.258 -50.418
45 HD13 LEU 7 HD13 LEU 7 -32.154 -23.707 -51.080
46 HD21 LEU 7 HD21 LEU 7 -31.667 -22.697 -54.640
47 HD22 LEU 7 HD22 LEU 7 -32.873 -21.748 -53.772
48 HD23 LEU 7 HD23 LEU 7 -32.811 -23.498 -53.565
49 H LYS 8 H LYS 8 -31.223 -18.635 -53.773
50 HA LYS 8 HA LYS 8 -31.994 -18.499 -56.549
51 HB2 LYS 8 HB2 LYS 8 -33.606 -20.148 -55.310
52 HB3 LYS 8 HB3 LYS 8 -34.300 -18.671 -54.640
53 HG2 LYS 8 HG2 LYS 8 -35.563 -18.825 -56.566
54 HG3 LYS 8 HG3 LYS 8 -34.193 -17.911 -57.201
55 HD2 LYS 8 HD2 LYS 8 -33.129 -20.054 -57.899
56 HD3 LYS 8 HD3 LYS 8 -34.568 -20.916 -57.351
57 HE2 LYS 8 HE2 LYS 8 -34.590 -20.448 -59.810
58 HE3 LYS 8 HE3 LYS 8 -35.953 -19.723 -58.957
59 HZ1 LYS 8 HZ1 LYS 8 -33.478 -18.180 -59.330
60 HZ2 LYS 8 HZ2 LYS 8 -35.072 -17.625 -59.136
61 HZ3 LYS 8 HZ3 LYS 8 -34.583 -18.309 -60.611
62 HN1 NH2 9 HN1 NH2 9 -30.801 -16.336 -54.382
63 HN2 NH2 9 HN2 NH2 9 -32.177 -16.130 -53.410
64 H1 A2G 10 H1 A2G 10 -29.562 -19.381 -50.068
65 H2 A2G 10 H2 A2G 10 -31.739 -20.238 -49.278
66 HN2 A2G 10 HN2 A2G 10 -31.752 -17.323 -49.804
67 H3 A2G 10 H3 A2G 10 -31.651 -17.939 -47.308
68 HO3 A2G 10 HO3 A2G 10 -33.385 -20.072 -47.060
69 H4 A2G 10 H4 A2G 10 -31.316 -19.591 -45.577
70 HO4 A2G 10 HO4 A2G 10 -32.027 -21.503 -46.001
71 H5 A2G 10 H5 A2G 10 -29.273 -18.786 -46.702
72 H6 A2G 10 H6 A2G 10 -29.291 -21.738 -46.001
73 H8 A2G 10 H8 A2G 10 -33.118 -17.815 -52.818
74 H8A A2G 10 H8A A2G 10 -34.372 -17.377 -51.658
75 H8B A2G 10 H8B A2G 10 -32.783 -16.615 -51.571
76 H14 A2G 10 H14 A2G 10 -27.819 -20.790 -46.220
77 H15 A2G 10 H15 A2G 10 -29.633 -20.805 -44.149
Start of MODEL 29
1 H1 ACE 1 H1 ACE 1 -26.126 -13.405 -47.411
2 H2 ACE 1 H2 ACE 1 -25.147 -12.927 -46.025
3 H3 ACE 1 H3 ACE 1 -25.427 -11.787 -47.341
4 HA PRO 2 HA PRO 2 -28.448 -11.444 -43.564
5 HB2 PRO 2 HB2 PRO 2 -27.889 -8.621 -43.705
6 HB3 PRO 2 HB3 PRO 2 -27.526 -9.745 -42.386
7 HG2 PRO 2 HG2 PRO 2 -25.771 -8.691 -44.467
8 HG3 PRO 2 HG3 PRO 2 -25.363 -9.440 -42.917
9 HD2 PRO 2 HD2 PRO 2 -24.942 -10.668 -45.328
10 HD3 PRO 2 HD3 PRO 2 -25.247 -11.563 -43.822
11 H THR 3 H THR 3 -27.915 -10.054 -46.693
12 HA THR 3 HA THR 3 -30.551 -8.811 -46.819
13 HB THR 3 HB THR 3 -28.643 -7.694 -47.900
14 HG1 THR 3 HG1 THR 3 -30.964 -8.345 -49.028
15 HG21 THR 3 HG21 THR 3 -28.577 -9.894 -49.945
16 HG22 THR 3 HG22 THR 3 -27.611 -10.030 -48.475
17 HG23 THR 3 HG23 THR 3 -27.351 -8.679 -49.579
18 H THR 4 H THR 4 -28.783 -11.412 -48.500
19 HA THR 4 HA THR 4 -31.282 -12.882 -48.829
20 HB THR 4 HB THR 4 -29.768 -12.791 -51.339
21 HG1 THR 4 HG1 THR 4 -31.140 -10.501 -50.383
22 HG21 THR 4 HG21 THR 4 -32.679 -12.265 -50.690
23 HG22 THR 4 HG22 THR 4 -31.997 -13.868 -50.961
24 HG23 THR 4 HG23 THR 4 -32.008 -12.683 -52.266
25 H THR 5 H THR 5 -30.520 -14.880 -50.454
26 HA THR 5 HA THR 5 -27.905 -15.870 -49.600
27 HB THR 5 HB THR 5 -29.003 -18.048 -48.865
28 HG21 THR 5 HG21 THR 5 -28.246 -15.895 -47.432
29 HG22 THR 5 HG22 THR 5 -28.952 -17.328 -46.685
30 HG23 THR 5 HG23 THR 5 -29.961 -15.920 -47.018
31 HA PRO 6 HA PRO 6 -27.507 -17.723 -53.531
32 HB2 PRO 6 HB2 PRO 6 -27.186 -20.431 -52.603
33 HB3 PRO 6 HB3 PRO 6 -25.933 -19.305 -53.147
34 HG2 PRO 6 HG2 PRO 6 -26.727 -20.038 -50.434
35 HG3 PRO 6 HG3 PRO 6 -25.235 -19.282 -51.010
36 HD2 PRO 6 HD2 PRO 6 -27.129 -17.939 -49.555
37 HD3 PRO 6 HD3 PRO 6 -26.053 -17.140 -50.724
38 H LEU 7 H LEU 7 -29.392 -17.742 -54.651
39 HA LEU 7 HA LEU 7 -31.719 -19.180 -53.804
40 HB2 LEU 7 HB2 LEU 7 -32.697 -18.432 -55.904
41 HB3 LEU 7 HB3 LEU 7 -31.815 -17.098 -55.160
42 HG LEU 7 HG LEU 7 -29.885 -18.387 -56.697
43 HD11 LEU 7 HD11 LEU 7 -31.852 -19.636 -57.733
44 HD12 LEU 7 HD12 LEU 7 -30.832 -18.752 -58.868
45 HD13 LEU 7 HD13 LEU 7 -32.387 -18.081 -58.374
46 HD21 LEU 7 HD21 LEU 7 -31.636 -16.010 -57.406
47 HD22 LEU 7 HD22 LEU 7 -30.061 -16.368 -58.115
48 HD23 LEU 7 HD23 LEU 7 -30.185 -15.953 -56.405
49 H LYS 8 H LYS 8 -32.828 -20.744 -55.313
50 HA LYS 8 HA LYS 8 -31.037 -22.947 -55.832
51 HB2 LYS 8 HB2 LYS 8 -33.385 -23.153 -54.891
52 HB3 LYS 8 HB3 LYS 8 -33.976 -22.783 -56.512
53 HG2 LYS 8 HG2 LYS 8 -33.802 -24.997 -56.930
54 HG3 LYS 8 HG3 LYS 8 -32.057 -24.741 -56.959
55 HD2 LYS 8 HD2 LYS 8 -32.012 -25.125 -54.483
56 HD3 LYS 8 HD3 LYS 8 -33.726 -25.532 -54.557
57 HE2 LYS 8 HE2 LYS 8 -32.717 -27.638 -54.724
58 HE3 LYS 8 HE3 LYS 8 -32.978 -27.218 -56.417
59 HZ1 LYS 8 HZ1 LYS 8 -30.764 -27.946 -56.254
60 HZ2 LYS 8 HZ2 LYS 8 -30.467 -27.023 -54.859
61 HZ3 LYS 8 HZ3 LYS 8 -30.672 -26.257 -56.361
62 HN1 NH2 9 HN1 NH2 9 -29.729 -22.384 -57.878
63 HN2 NH2 9 HN2 NH2 9 -30.603 -23.139 -59.122
64 H1 A2G 10 H1 A2G 10 -30.660 -18.554 -50.381
65 H2 A2G 10 H2 A2G 10 -32.939 -19.455 -50.080
66 HN2 A2G 10 HN2 A2G 10 -32.969 -16.508 -50.366
67 H3 A2G 10 H3 A2G 10 -33.252 -17.291 -47.984
68 HO3 A2G 10 HO3 A2G 10 -35.121 -18.970 -47.718
69 H4 A2G 10 H4 A2G 10 -33.238 -19.053 -46.331
70 HO4 A2G 10 HO4 A2G 10 -33.448 -20.609 -48.599
71 H5 A2G 10 H5 A2G 10 -31.026 -18.181 -46.991
72 H6 A2G 10 H6 A2G 10 -30.938 -21.195 -46.639
73 H8 A2G 10 H8 A2G 10 -33.493 -16.621 -53.606
74 H8A A2G 10 H8A A2G 10 -35.090 -16.640 -52.860
75 H8B A2G 10 H8B A2G 10 -33.803 -15.657 -52.163
76 H14 A2G 10 H14 A2G 10 -29.681 -20.043 -46.189
77 H15 A2G 10 H15 A2G 10 -31.741 -20.852 -44.749
Start of MODEL 30
1 H1 ACE 1 H1 ACE 1 -27.712 -7.081 -41.990
2 H2 ACE 1 H2 ACE 1 -26.468 -6.336 -42.994
3 H3 ACE 1 H3 ACE 1 -26.102 -7.795 -42.074
4 HA PRO 2 HA PRO 2 -27.143 -10.649 -45.224
5 HB2 PRO 2 HB2 PRO 2 -29.567 -11.715 -44.089
6 HB3 PRO 2 HB3 PRO 2 -27.951 -12.435 -44.091
7 HG2 PRO 2 HG2 PRO 2 -29.341 -10.996 -41.966
8 HG3 PRO 2 HG3 PRO 2 -27.950 -12.084 -41.871
9 HD2 PRO 2 HD2 PRO 2 -27.763 -9.379 -41.480
10 HD3 PRO 2 HD3 PRO 2 -26.422 -10.366 -42.103
11 H THR 3 H THR 3 -28.806 -11.208 -46.869
12 HA THR 3 HA THR 3 -31.123 -9.446 -47.036
13 HB THR 3 HB THR 3 -30.458 -8.614 -49.286
14 HG1 THR 3 HG1 THR 3 -28.816 -9.550 -50.157
15 HG21 THR 3 HG21 THR 3 -29.056 -6.870 -48.469
16 HG22 THR 3 HG22 THR 3 -28.356 -7.915 -47.232
17 HG23 THR 3 HG23 THR 3 -30.029 -7.377 -47.088
18 H THR 4 H THR 4 -29.082 -11.775 -48.801
19 HA THR 4 HA THR 4 -31.432 -13.425 -49.315
20 HB THR 4 HB THR 4 -30.024 -13.299 -51.787
21 HG1 THR 4 HG1 THR 4 -29.412 -11.205 -51.026
22 HG21 THR 4 HG21 THR 4 -32.397 -13.928 -51.411
23 HG22 THR 4 HG22 THR 4 -32.233 -12.666 -52.632
24 HG23 THR 4 HG23 THR 4 -32.756 -12.251 -51.000
25 H THR 5 H THR 5 -30.508 -15.310 -50.920
26 HA THR 5 HA THR 5 -27.818 -16.103 -50.094
27 HB THR 5 HB THR 5 -28.708 -18.358 -49.365
28 HG21 THR 5 HG21 THR 5 -28.837 -17.653 -47.171
29 HG22 THR 5 HG22 THR 5 -29.909 -16.308 -47.559
30 HG23 THR 5 HG23 THR 5 -28.183 -16.186 -47.900
31 HA PRO 6 HA PRO 6 -27.297 -17.848 -54.061
32 HB2 PRO 6 HB2 PRO 6 -26.747 -20.535 -53.180
33 HB3 PRO 6 HB3 PRO 6 -25.596 -19.300 -53.712
34 HG2 PRO 6 HG2 PRO 6 -26.307 -20.141 -51.008
35 HG3 PRO 6 HG3 PRO 6 -24.887 -19.255 -51.579
36 HD2 PRO 6 HD2 PRO 6 -26.874 -18.097 -50.091
37 HD3 PRO 6 HD3 PRO 6 -25.877 -17.193 -51.253
38 H LEU 7 H LEU 7 -28.827 -18.436 -55.487
39 HA LEU 7 HA LEU 7 -31.276 -19.656 -54.645
40 HB2 LEU 7 HB2 LEU 7 -30.344 -19.319 -57.497
41 HB3 LEU 7 HB3 LEU 7 -32.000 -19.367 -56.891
42 HG LEU 7 HG LEU 7 -30.901 -17.300 -55.432
43 HD11 LEU 7 HD11 LEU 7 -29.955 -16.918 -58.276
44 HD12 LEU 7 HD12 LEU 7 -28.891 -17.556 -57.023
45 HD13 LEU 7 HD13 LEU 7 -29.577 -15.939 -56.859
46 HD21 LEU 7 HD21 LEU 7 -32.315 -17.153 -58.116
47 HD22 LEU 7 HD22 LEU 7 -32.240 -15.856 -56.922
48 HD23 LEU 7 HD23 LEU 7 -33.107 -17.346 -56.552
49 H LYS 8 H LYS 8 -32.170 -21.639 -55.505
50 HA LYS 8 HA LYS 8 -30.258 -23.800 -55.421
51 HB2 LYS 8 HB2 LYS 8 -32.489 -25.105 -55.967
52 HB3 LYS 8 HB3 LYS 8 -32.218 -24.422 -54.362
53 HG2 LYS 8 HG2 LYS 8 -33.477 -22.660 -56.418
54 HG3 LYS 8 HG3 LYS 8 -34.469 -23.941 -55.722
55 HD2 LYS 8 HD2 LYS 8 -32.843 -22.245 -53.868
56 HD3 LYS 8 HD3 LYS 8 -34.315 -21.559 -54.556
57 HE2 LYS 8 HE2 LYS 8 -35.614 -23.477 -53.724
58 HE3 LYS 8 HE3 LYS 8 -34.145 -24.189 -53.056
59 HZ1 LYS 8 HZ1 LYS 8 -35.239 -23.047 -51.311
60 HZ2 LYS 8 HZ2 LYS 8 -35.446 -21.648 -52.252
61 HZ3 LYS 8 HZ3 LYS 8 -33.893 -22.106 -51.736
62 HN1 NH2 9 HN1 NH2 9 -29.726 -23.075 -58.836
63 HN2 NH2 9 HN2 NH2 9 -29.012 -23.933 -57.557
64 H1 A2G 10 H1 A2G 10 -30.250 -19.028 -50.920
65 H2 A2G 10 H2 A2G 10 -32.438 -20.154 -50.718
66 HN2 A2G 10 HN2 A2G 10 -32.766 -17.224 -50.980
67 H3 A2G 10 H3 A2G 10 -33.050 -18.054 -48.623
68 HO3 A2G 10 HO3 A2G 10 -34.814 -19.722 -48.383
69 H4 A2G 10 H4 A2G 10 -32.925 -19.823 -46.983
70 HO4 A2G 10 HO4 A2G 10 -32.408 -21.920 -47.607
71 H5 A2G 10 H5 A2G 10 -30.787 -18.729 -47.546
72 H6 A2G 10 H6 A2G 10 -30.327 -21.709 -47.252
73 H8 A2G 10 H8 A2G 10 -32.916 -17.347 -54.232
74 H8A A2G 10 H8A A2G 10 -34.595 -17.510 -53.716
75 H8B A2G 10 H8B A2G 10 -33.506 -16.431 -52.845
76 H14 A2G 10 H14 A2G 10 -29.324 -20.400 -46.630
77 H15 A2G 10 H15 A2G 10 -31.147 -19.790 -45.332
Start of MODEL 31
1 H1 ACE 1 H1 ACE 1 -26.629 -8.085 -44.004
2 H2 ACE 1 H2 ACE 1 -26.309 -7.115 -45.442
3 H3 ACE 1 H3 ACE 1 -25.915 -8.835 -45.432
4 HA PRO 2 HA PRO 2 -30.147 -8.335 -47.264
5 HB2 PRO 2 HB2 PRO 2 -29.274 -9.924 -49.505
6 HB3 PRO 2 HB3 PRO 2 -29.731 -8.214 -49.485
7 HG2 PRO 2 HG2 PRO 2 -27.185 -9.191 -49.926
8 HG3 PRO 2 HG3 PRO 2 -27.588 -7.534 -49.452
9 HD2 PRO 2 HD2 PRO 2 -26.513 -9.760 -47.783
10 HD3 PRO 2 HD3 PRO 2 -26.280 -8.004 -47.616
11 H THR 3 H THR 3 -31.772 -9.955 -47.538
12 HA THR 3 HA THR 3 -31.153 -12.447 -46.154
13 HB THR 3 HB THR 3 -33.147 -11.530 -45.350
14 HG1 THR 3 HG1 THR 3 -34.420 -13.160 -45.748
15 HG21 THR 3 HG21 THR 3 -34.944 -10.724 -46.957
16 HG22 THR 3 HG22 THR 3 -33.746 -10.877 -48.241
17 HG23 THR 3 HG23 THR 3 -33.476 -9.747 -46.914
18 H THR 4 H THR 4 -29.771 -12.929 -48.187
19 HA THR 4 HA THR 4 -31.328 -14.772 -49.828
20 HB THR 4 HB THR 4 -29.744 -13.650 -51.767
21 HG1 THR 4 HG1 THR 4 -29.267 -11.913 -50.358
22 HG21 THR 4 HG21 THR 4 -31.863 -12.677 -52.603
23 HG22 THR 4 HG22 THR 4 -32.596 -12.946 -51.023
24 HG23 THR 4 HG23 THR 4 -32.091 -14.320 -52.006
25 H THR 5 H THR 5 -30.059 -16.399 -50.806
26 HA THR 5 HA THR 5 -27.181 -16.403 -50.310
27 HB THR 5 HB THR 5 -27.641 -18.865 -49.379
28 HG21 THR 5 HG21 THR 5 -28.017 -16.491 -47.550
29 HG22 THR 5 HG22 THR 5 -26.464 -16.845 -48.307
30 HG23 THR 5 HG23 THR 5 -27.194 -18.013 -47.206
31 HA PRO 6 HA PRO 6 -26.655 -18.543 -54.069
32 HB2 PRO 6 HB2 PRO 6 -25.502 -20.954 -52.993
33 HB3 PRO 6 HB3 PRO 6 -24.674 -19.596 -53.770
34 HG2 PRO 6 HG2 PRO 6 -24.957 -20.228 -50.933
35 HG3 PRO 6 HG3 PRO 6 -23.798 -19.164 -51.745
36 HD2 PRO 6 HD2 PRO 6 -25.834 -18.233 -50.166
37 HD3 PRO 6 HD3 PRO 6 -25.147 -17.302 -51.516
38 H LEU 7 H LEU 7 -28.864 -18.925 -54.527
39 HA LEU 7 HA LEU 7 -29.606 -21.695 -54.634
40 HB2 LEU 7 HB2 LEU 7 -30.230 -20.690 -52.247
41 HB3 LEU 7 HB3 LEU 7 -31.622 -20.081 -53.144
42 HG LEU 7 HG LEU 7 -32.174 -22.270 -52.234
43 HD11 LEU 7 HD11 LEU 7 -32.962 -23.281 -54.219
44 HD12 LEU 7 HD12 LEU 7 -31.562 -22.751 -55.149
45 HD13 LEU 7 HD13 LEU 7 -32.787 -21.582 -54.657
46 HD21 LEU 7 HD21 LEU 7 -29.484 -22.809 -52.584
47 HD22 LEU 7 HD22 LEU 7 -30.237 -23.780 -53.849
48 HD23 LEU 7 HD23 LEU 7 -30.711 -24.004 -52.165
49 H LYS 8 H LYS 8 -31.005 -18.410 -54.657
50 HA LYS 8 HA LYS 8 -32.803 -19.059 -56.819
51 HB2 LYS 8 HB2 LYS 8 -32.589 -17.011 -54.880
52 HB3 LYS 8 HB3 LYS 8 -32.468 -16.229 -56.457
53 HG2 LYS 8 HG2 LYS 8 -34.812 -16.362 -55.877
54 HG3 LYS 8 HG3 LYS 8 -34.509 -17.521 -57.171
55 HD2 LYS 8 HD2 LYS 8 -33.981 -18.934 -54.807
56 HD3 LYS 8 HD3 LYS 8 -35.441 -18.006 -54.463
57 HE2 LYS 8 HE2 LYS 8 -36.436 -18.859 -56.587
58 HE3 LYS 8 HE3 LYS 8 -35.006 -19.864 -56.819
59 HZ1 LYS 8 HZ1 LYS 8 -37.145 -20.102 -54.828
60 HZ2 LYS 8 HZ2 LYS 8 -35.584 -20.623 -54.406
61 HZ3 LYS 8 HZ3 LYS 8 -36.380 -21.310 -55.740
62 HN1 NH2 9 HN1 NH2 9 -29.832 -19.355 -57.571
63 HN2 NH2 9 HN2 NH2 9 -29.269 -17.843 -58.099
64 H1 A2G 10 H1 A2G 10 -29.510 -19.656 -50.161
65 H2 A2G 10 H2 A2G 10 -31.628 -20.599 -49.309
66 HN2 A2G 10 HN2 A2G 10 -31.882 -17.694 -49.824
67 H3 A2G 10 H3 A2G 10 -31.612 -18.258 -47.388
68 HO3 A2G 10 HO3 A2G 10 -33.371 -19.594 -46.532
69 H4 A2G 10 H4 A2G 10 -31.166 -19.856 -45.631
70 HO4 A2G 10 HO4 A2G 10 -31.717 -21.831 -45.974
71 H5 A2G 10 H5 A2G 10 -29.185 -18.978 -46.813
72 H6 A2G 10 H6 A2G 10 -28.819 -21.939 -46.278
73 H8 A2G 10 H8 A2G 10 -33.014 -18.075 -52.854
74 H8A A2G 10 H8A A2G 10 -34.452 -18.187 -51.841
75 H8B A2G 10 H8B A2G 10 -33.170 -17.048 -51.429
76 H14 A2G 10 H14 A2G 10 -27.614 -20.662 -46.106
77 H15 A2G 10 H15 A2G 10 -29.545 -19.851 -44.636
Start of MODEL 32
1 H1 ACE 1 H1 ACE 1 -29.033 -7.391 -44.016
2 H2 ACE 1 H2 ACE 1 -27.700 -8.453 -43.561
3 H3 ACE 1 H3 ACE 1 -29.356 -8.884 -43.134
4 HA PRO 2 HA PRO 2 -27.659 -10.809 -47.250
5 HB2 PRO 2 HB2 PRO 2 -28.694 -13.290 -46.213
6 HB3 PRO 2 HB3 PRO 2 -27.011 -12.869 -46.568
7 HG2 PRO 2 HG2 PRO 2 -28.415 -12.927 -44.008
8 HG3 PRO 2 HG3 PRO 2 -26.679 -12.945 -44.346
9 HD2 PRO 2 HD2 PRO 2 -27.969 -10.787 -43.260
10 HD3 PRO 2 HD3 PRO 2 -26.501 -10.643 -44.255
11 H THR 3 H THR 3 -29.133 -10.315 -48.769
12 HA THR 3 HA THR 3 -31.983 -10.638 -48.237
13 HB THR 3 HB THR 3 -31.153 -8.588 -49.348
14 HG1 THR 3 HG1 THR 3 -33.166 -10.070 -50.017
15 HG21 THR 3 HG21 THR 3 -30.719 -9.862 -51.944
16 HG22 THR 3 HG22 THR 3 -29.526 -10.351 -50.740
17 HG23 THR 3 HG23 THR 3 -29.750 -8.643 -51.116
18 H THR 4 H THR 4 -29.426 -12.323 -49.786
19 HA THR 4 HA THR 4 -31.288 -14.403 -50.636
20 HB THR 4 HB THR 4 -29.600 -14.271 -52.827
21 HG1 THR 4 HG1 THR 4 -28.904 -12.235 -52.417
22 HG21 THR 4 HG21 THR 4 -31.670 -13.415 -53.985
23 HG22 THR 4 HG22 THR 4 -32.404 -13.215 -52.394
24 HG23 THR 4 HG23 THR 4 -31.946 -14.822 -52.958
25 H THR 5 H THR 5 -30.164 -16.403 -51.235
26 HA THR 5 HA THR 5 -27.347 -16.588 -50.480
27 HB THR 5 HB THR 5 -28.204 -18.690 -49.047
28 HG21 THR 5 HG21 THR 5 -28.246 -15.872 -47.939
29 HG22 THR 5 HG22 THR 5 -26.760 -16.736 -48.338
30 HG23 THR 5 HG23 THR 5 -27.828 -17.354 -47.079
31 HA PRO 6 HA PRO 6 -26.866 -19.613 -53.583
32 HB2 PRO 6 HB2 PRO 6 -26.014 -21.767 -51.872
33 HB3 PRO 6 HB3 PRO 6 -25.017 -20.722 -52.895
34 HG2 PRO 6 HG2 PRO 6 -25.498 -20.597 -50.017
35 HG3 PRO 6 HG3 PRO 6 -24.202 -19.872 -50.980
36 HD2 PRO 6 HD2 PRO 6 -26.207 -18.406 -49.827
37 HD3 PRO 6 HD3 PRO 6 -25.367 -17.906 -51.312
38 H LEU 7 H LEU 7 -29.345 -19.564 -53.538
39 HA LEU 7 HA LEU 7 -30.310 -22.255 -53.593
40 HB2 LEU 7 HB2 LEU 7 -30.380 -21.551 -51.102
41 HB3 LEU 7 HB3 LEU 7 -31.724 -20.516 -51.586
42 HG LEU 7 HG LEU 7 -32.425 -22.851 -52.805
43 HD11 LEU 7 HD11 LEU 7 -30.402 -23.900 -51.630
44 HD12 LEU 7 HD12 LEU 7 -31.947 -24.717 -51.399
45 HD13 LEU 7 HD13 LEU 7 -31.296 -23.684 -50.126
46 HD21 LEU 7 HD21 LEU 7 -33.021 -21.812 -50.025
47 HD22 LEU 7 HD22 LEU 7 -33.878 -23.189 -50.719
48 HD23 LEU 7 HD23 LEU 7 -33.982 -21.605 -51.490
49 H LYS 8 H LYS 8 -30.133 -19.570 -55.055
50 HA LYS 8 HA LYS 8 -32.882 -18.803 -55.490
51 HB2 LYS 8 HB2 LYS 8 -30.855 -17.277 -55.707
52 HB3 LYS 8 HB3 LYS 8 -30.514 -18.105 -57.227
53 HG2 LYS 8 HG2 LYS 8 -33.131 -17.570 -57.603
54 HG3 LYS 8 HG3 LYS 8 -32.711 -16.218 -56.549
55 HD2 LYS 8 HD2 LYS 8 -31.309 -16.964 -59.134
56 HD3 LYS 8 HD3 LYS 8 -32.376 -15.581 -58.893
57 HE2 LYS 8 HE2 LYS 8 -30.393 -14.503 -58.499
58 HE3 LYS 8 HE3 LYS 8 -30.636 -15.147 -56.876
59 HZ1 LYS 8 HZ1 LYS 8 -28.413 -15.556 -58.140
60 HZ2 LYS 8 HZ2 LYS 8 -29.286 -16.812 -58.880
61 HZ3 LYS 8 HZ3 LYS 8 -29.095 -16.785 -57.191
62 HN1 NH2 9 HN1 NH2 9 -32.656 -19.924 -59.110
63 HN2 NH2 9 HN2 NH2 9 -31.316 -19.037 -58.566
64 H1 A2G 10 H1 A2G 10 -30.210 -19.182 -50.064
65 H2 A2G 10 H2 A2G 10 -32.475 -19.680 -49.215
66 HN2 A2G 10 HN2 A2G 10 -32.204 -16.820 -49.934
67 H3 A2G 10 H3 A2G 10 -32.084 -17.246 -47.455
68 HO3 A2G 10 HO3 A2G 10 -34.137 -19.171 -47.772
69 H4 A2G 10 H4 A2G 10 -31.954 -18.767 -45.583
70 HO4 A2G 10 HO4 A2G 10 -33.350 -20.350 -46.567
71 H5 A2G 10 H5 A2G 10 -29.831 -18.333 -46.762
72 H6 A2G 10 H6 A2G 10 -29.805 -21.277 -46.147
73 H8 A2G 10 H8 A2G 10 -33.063 -17.143 -52.917
74 H8A A2G 10 H8A A2G 10 -34.693 -17.128 -52.244
75 H8B A2G 10 H8B A2G 10 -33.452 -16.072 -51.570
76 H14 A2G 10 H14 A2G 10 -28.612 -20.046 -45.732
77 H15 A2G 10 H15 A2G 10 -31.078 -20.628 -44.532
Start of MODEL 33
1 H1 ACE 1 H1 ACE 1 -26.419 -10.823 -41.516
2 H2 ACE 1 H2 ACE 1 -25.073 -11.223 -42.582
3 H3 ACE 1 H3 ACE 1 -26.394 -12.370 -42.363
4 HA PRO 2 HA PRO 2 -26.750 -9.424 -46.201
5 HB2 PRO 2 HB2 PRO 2 -27.338 -11.831 -47.670
6 HB3 PRO 2 HB3 PRO 2 -25.963 -10.734 -47.870
7 HG2 PRO 2 HG2 PRO 2 -26.108 -13.305 -46.493
8 HG3 PRO 2 HG3 PRO 2 -24.697 -12.416 -47.082
9 HD2 PRO 2 HD2 PRO 2 -25.286 -12.695 -44.422
10 HD3 PRO 2 HD3 PRO 2 -24.396 -11.303 -45.080
11 H THR 3 H THR 3 -28.735 -9.210 -47.508
12 HA THR 3 HA THR 3 -31.087 -9.904 -45.928
13 HB THR 3 HB THR 3 -32.269 -8.382 -47.474
14 HG1 THR 3 HG1 THR 3 -30.832 -8.910 -49.263
15 HG21 THR 3 HG21 THR 3 -31.529 -7.047 -45.780
16 HG22 THR 3 HG22 THR 3 -30.464 -6.402 -47.029
17 HG23 THR 3 HG23 THR 3 -29.870 -7.630 -45.911
18 H THR 4 H THR 4 -29.362 -11.529 -48.127
19 HA THR 4 HA THR 4 -31.671 -13.099 -48.975
20 HB THR 4 HB THR 4 -30.215 -12.972 -51.328
21 HG1 THR 4 HG1 THR 4 -30.556 -10.365 -50.269
22 HG21 THR 4 HG21 THR 4 -32.692 -11.458 -50.460
23 HG22 THR 4 HG22 THR 4 -32.641 -13.068 -51.178
24 HG23 THR 4 HG23 THR 4 -32.184 -11.660 -52.137
25 H THR 5 H THR 5 -30.634 -14.904 -50.586
26 HA THR 5 HA THR 5 -28.038 -15.794 -49.576
27 HB THR 5 HB THR 5 -29.025 -18.072 -49.068
28 HG21 THR 5 HG21 THR 5 -28.604 -15.982 -47.439
29 HG22 THR 5 HG22 THR 5 -29.301 -17.494 -46.856
30 HG23 THR 5 HG23 THR 5 -30.349 -16.128 -47.237
31 HA PRO 6 HA PRO 6 -27.190 -17.321 -53.576
32 HB2 PRO 6 HB2 PRO 6 -26.765 -20.066 -52.812
33 HB3 PRO 6 HB3 PRO 6 -25.551 -18.827 -53.163
34 HG2 PRO 6 HG2 PRO 6 -26.517 -19.807 -50.588
35 HG3 PRO 6 HG3 PRO 6 -25.036 -18.920 -50.977
36 HD2 PRO 6 HD2 PRO 6 -27.131 -17.807 -49.605
37 HD3 PRO 6 HD3 PRO 6 -26.018 -16.859 -50.619
38 H LEU 7 H LEU 7 -28.821 -17.523 -54.998
39 HA LEU 7 HA LEU 7 -31.212 -18.996 -54.437
40 HB2 LEU 7 HB2 LEU 7 -31.283 -17.008 -55.847
41 HB3 LEU 7 HB3 LEU 7 -30.196 -17.766 -57.011
42 HG LEU 7 HG LEU 7 -32.535 -19.417 -56.365
43 HD11 LEU 7 HD11 LEU 7 -34.006 -17.952 -57.875
44 HD12 LEU 7 HD12 LEU 7 -32.858 -16.654 -57.547
45 HD13 LEU 7 HD13 LEU 7 -33.764 -17.384 -56.223
46 HD21 LEU 7 HD21 LEU 7 -32.487 -19.819 -58.719
47 HD22 LEU 7 HD22 LEU 7 -30.798 -19.673 -58.237
48 HD23 LEU 7 HD23 LEU 7 -31.607 -18.322 -59.030
49 H LYS 8 H LYS 8 -31.889 -20.958 -55.216
50 HA LYS 8 HA LYS 8 -29.826 -22.820 -55.994
51 HB2 LYS 8 HB2 LYS 8 -32.792 -23.067 -55.499
52 HB3 LYS 8 HB3 LYS 8 -31.823 -24.419 -56.088
53 HG2 LYS 8 HG2 LYS 8 -30.706 -24.666 -54.099
54 HG3 LYS 8 HG3 LYS 8 -30.752 -22.940 -53.739
55 HD2 LYS 8 HD2 LYS 8 -32.198 -24.227 -52.192
56 HD3 LYS 8 HD3 LYS 8 -33.138 -23.102 -53.174
57 HE2 LYS 8 HE2 LYS 8 -34.220 -24.774 -54.274
58 HE3 LYS 8 HE3 LYS 8 -32.767 -25.769 -54.385
59 HZ1 LYS 8 HZ1 LYS 8 -33.047 -26.470 -52.141
60 HZ2 LYS 8 HZ2 LYS 8 -34.528 -26.704 -52.938
61 HZ3 LYS 8 HZ3 LYS 8 -34.324 -25.383 -51.889
62 HN1 NH2 9 HN1 NH2 9 -32.209 -23.985 -58.434
63 HN2 NH2 9 HN2 NH2 9 -32.961 -22.470 -58.298
64 H1 A2G 10 H1 A2G 10 -30.451 -18.620 -50.782
65 H2 A2G 10 H2 A2G 10 -32.663 -19.718 -50.800
66 HN2 A2G 10 HN2 A2G 10 -32.925 -16.772 -50.930
67 H3 A2G 10 H3 A2G 10 -33.399 -17.721 -48.645
68 HO3 A2G 10 HO3 A2G 10 -35.045 -19.761 -48.837
69 H4 A2G 10 H4 A2G 10 -33.420 -19.576 -47.097
70 HO4 A2G 10 HO4 A2G 10 -33.573 -20.983 -49.343
71 H5 A2G 10 H5 A2G 10 -31.232 -18.492 -47.443
72 H6 A2G 10 H6 A2G 10 -30.791 -21.481 -47.292
73 H8 A2G 10 H8 A2G 10 -33.022 -16.621 -54.135
74 H8A A2G 10 H8A A2G 10 -34.701 -17.005 -53.754
75 H8B A2G 10 H8B A2G 10 -33.788 -15.909 -52.715
76 H14 A2G 10 H14 A2G 10 -29.883 -20.207 -46.478
77 H15 A2G 10 H15 A2G 10 -32.195 -21.443 -45.749
Start of MODEL 34
1 H1 ACE 1 H1 ACE 1 -25.487 -12.248 -46.969
2 H2 ACE 1 H2 ACE 1 -26.677 -12.809 -48.145
3 H3 ACE 1 H3 ACE 1 -26.336 -13.772 -46.707
4 HA PRO 2 HA PRO 2 -28.816 -9.951 -45.182
5 HB2 PRO 2 HB2 PRO 2 -29.831 -8.493 -47.451
6 HB3 PRO 2 HB3 PRO 2 -28.683 -7.945 -46.222
7 HG2 PRO 2 HG2 PRO 2 -28.091 -8.407 -48.880
8 HG3 PRO 2 HG3 PRO 2 -26.914 -8.308 -47.562
9 HD2 PRO 2 HD2 PRO 2 -27.985 -10.719 -48.953
10 HD3 PRO 2 HD3 PRO 2 -26.397 -10.462 -48.194
11 H THR 3 H THR 3 -30.035 -10.962 -48.382
12 HA THR 3 HA THR 3 -32.347 -12.212 -47.121
13 HB THR 3 HB THR 3 -33.392 -10.728 -49.313
14 HG1 THR 3 HG1 THR 3 -32.759 -8.734 -48.924
15 HG21 THR 3 HG21 THR 3 -33.763 -10.516 -46.313
16 HG22 THR 3 HG22 THR 3 -34.688 -11.539 -47.412
17 HG23 THR 3 HG23 THR 3 -34.830 -9.784 -47.510
18 H THR 4 H THR 4 -29.886 -12.714 -48.930
19 HA THR 4 HA THR 4 -31.263 -14.600 -50.680
20 HB THR 4 HB THR 4 -29.774 -13.817 -52.616
21 HG1 THR 4 HG1 THR 4 -29.725 -11.521 -50.953
22 HG21 THR 4 HG21 THR 4 -31.423 -12.183 -53.329
23 HG22 THR 4 HG22 THR 4 -31.934 -11.919 -51.661
24 HG23 THR 4 HG23 THR 4 -32.248 -13.468 -52.445
25 H THR 5 H THR 5 -30.030 -16.388 -51.185
26 HA THR 5 HA THR 5 -27.191 -16.419 -50.499
27 HB THR 5 HB THR 5 -27.855 -18.707 -49.255
28 HG21 THR 5 HG21 THR 5 -27.536 -17.525 -47.172
29 HG22 THR 5 HG22 THR 5 -28.054 -16.004 -47.901
30 HG23 THR 5 HG23 THR 5 -26.528 -16.741 -48.388
31 HA PRO 6 HA PRO 6 -26.556 -19.095 -53.881
32 HB2 PRO 6 HB2 PRO 6 -25.492 -21.323 -52.398
33 HB3 PRO 6 HB3 PRO 6 -24.608 -20.110 -53.336
34 HG2 PRO 6 HG2 PRO 6 -25.021 -20.295 -50.451
35 HG3 PRO 6 HG3 PRO 6 -23.813 -19.379 -51.364
36 HD2 PRO 6 HD2 PRO 6 -25.899 -18.199 -50.038
37 HD3 PRO 6 HD3 PRO 6 -25.138 -17.492 -51.482
38 H LEU 7 H LEU 7 -29.054 -19.229 -53.703
39 HA LEU 7 HA LEU 7 -29.809 -21.960 -54.076
40 HB2 LEU 7 HB2 LEU 7 -29.860 -21.228 -51.437
41 HB3 LEU 7 HB3 LEU 7 -31.508 -20.853 -51.943
42 HG LEU 7 HG LEU 7 -30.126 -23.500 -52.470
43 HD11 LEU 7 HD11 LEU 7 -30.481 -23.754 -50.224
44 HD12 LEU 7 HD12 LEU 7 -32.140 -24.063 -50.741
45 HD13 LEU 7 HD13 LEU 7 -31.679 -22.462 -50.164
46 HD21 LEU 7 HD21 LEU 7 -31.870 -23.009 -54.090
47 HD22 LEU 7 HD22 LEU 7 -32.977 -22.518 -52.808
48 HD23 LEU 7 HD23 LEU 7 -32.491 -24.207 -52.956
49 H LYS 8 H LYS 8 -29.907 -19.212 -55.290
50 HA LYS 8 HA LYS 8 -32.705 -18.515 -55.417
51 HB2 LYS 8 HB2 LYS 8 -30.749 -16.906 -55.699
52 HB3 LYS 8 HB3 LYS 8 -30.531 -17.606 -57.303
53 HG2 LYS 8 HG2 LYS 8 -31.978 -15.906 -57.863
54 HG3 LYS 8 HG3 LYS 8 -33.167 -17.137 -57.432
55 HD2 LYS 8 HD2 LYS 8 -32.866 -16.160 -55.005
56 HD3 LYS 8 HD3 LYS 8 -32.275 -14.738 -55.866
57 HE2 LYS 8 HE2 LYS 8 -34.366 -14.716 -57.213
58 HE3 LYS 8 HE3 LYS 8 -34.961 -16.087 -56.276
59 HZ1 LYS 8 HZ1 LYS 8 -34.634 -13.295 -55.488
60 HZ2 LYS 8 HZ2 LYS 8 -34.327 -14.474 -54.304
61 HZ3 LYS 8 HZ3 LYS 8 -35.844 -14.407 -55.067
62 HN1 NH2 9 HN1 NH2 9 -31.133 -20.888 -58.193
63 HN2 NH2 9 HN2 NH2 9 -30.947 -19.269 -58.671
64 H1 A2G 10 H1 A2G 10 -29.848 -19.227 -50.293
65 H2 A2G 10 H2 A2G 10 -32.055 -19.965 -49.467
66 HN2 A2G 10 HN2 A2G 10 -31.999 -17.034 -49.874
67 H3 A2G 10 H3 A2G 10 -31.786 -17.710 -47.464
68 HO3 A2G 10 HO3 A2G 10 -33.759 -18.319 -46.856
69 H4 A2G 10 H4 A2G 10 -31.513 -19.407 -45.766
70 HO4 A2G 10 HO4 A2G 10 -31.703 -21.255 -47.909
71 H5 A2G 10 H5 A2G 10 -29.451 -18.708 -46.925
72 H6 A2G 10 H6 A2G 10 -29.554 -21.689 -46.359
73 H8 A2G 10 H8 A2G 10 -33.190 -17.362 -53.013
74 H8A A2G 10 H8A A2G 10 -34.473 -16.987 -51.863
75 H8B A2G 10 H8B A2G 10 -32.887 -16.236 -51.689
76 H14 A2G 10 H14 A2G 10 -28.085 -20.715 -46.431
77 H15 A2G 10 H15 A2G 10 -29.370 -19.379 -44.793
Start of MODEL 35
1 H1 ACE 1 H1 ACE 1 -27.481 -10.741 -50.256
2 H2 ACE 1 H2 ACE 1 -26.847 -12.383 -50.352
3 H3 ACE 1 H3 ACE 1 -25.739 -11.014 -50.246
4 HA PRO 2 HA PRO 2 -26.082 -10.925 -45.839
5 HB2 PRO 2 HB2 PRO 2 -27.455 -8.432 -45.388
6 HB3 PRO 2 HB3 PRO 2 -25.716 -8.750 -45.329
7 HG2 PRO 2 HG2 PRO 2 -27.003 -7.208 -47.225
8 HG3 PRO 2 HG3 PRO 2 -25.387 -7.910 -47.389
9 HD2 PRO 2 HD2 PRO 2 -27.964 -8.819 -48.582
10 HD3 PRO 2 HD3 PRO 2 -26.307 -8.981 -49.208
11 H THR 3 H THR 3 -29.178 -9.458 -46.870
12 HA THR 3 HA THR 3 -30.587 -10.816 -44.706
13 HB THR 3 HB THR 3 -31.284 -8.565 -45.071
14 HG1 THR 3 HG1 THR 3 -33.303 -9.101 -45.010
15 HG21 THR 3 HG21 THR 3 -30.582 -7.906 -47.174
16 HG22 THR 3 HG22 THR 3 -32.305 -8.126 -47.483
17 HG23 THR 3 HG23 THR 3 -31.159 -9.385 -47.944
18 H THR 4 H THR 4 -29.424 -11.958 -47.424
19 HA THR 4 HA THR 4 -31.590 -13.886 -47.748
20 HB THR 4 HB THR 4 -30.769 -13.256 -50.390
21 HG1 THR 4 HG1 THR 4 -30.297 -11.210 -50.005
22 HG21 THR 4 HG21 THR 4 -33.359 -12.682 -48.923
23 HG22 THR 4 HG22 THR 4 -32.930 -14.223 -49.666
24 HG23 THR 4 HG23 THR 4 -33.163 -12.793 -50.672
25 H THR 5 H THR 5 -30.745 -15.335 -49.826
26 HA THR 5 HA THR 5 -27.870 -15.814 -49.575
27 HB THR 5 HB THR 5 -28.287 -18.251 -49.121
28 HG21 THR 5 HG21 THR 5 -29.526 -16.728 -46.865
29 HG22 THR 5 HG22 THR 5 -27.894 -16.286 -47.368
30 HG23 THR 5 HG23 THR 5 -28.236 -17.930 -46.829
31 HA PRO 6 HA PRO 6 -27.823 -16.801 -53.823
32 HB2 PRO 6 HB2 PRO 6 -26.802 -19.480 -53.546
33 HB3 PRO 6 HB3 PRO 6 -25.921 -18.015 -54.003
34 HG2 PRO 6 HG2 PRO 6 -26.050 -19.382 -51.426
35 HG3 PRO 6 HG3 PRO 6 -24.867 -18.210 -52.026
36 HD2 PRO 6 HD2 PRO 6 -26.699 -17.624 -50.074
37 HD3 PRO 6 HD3 PRO 6 -26.036 -16.403 -51.182
38 H LEU 7 H LEU 7 -29.469 -17.395 -55.113
39 HA LEU 7 HA LEU 7 -31.585 -19.069 -54.160
40 HB2 LEU 7 HB2 LEU 7 -31.132 -18.125 -56.996
41 HB3 LEU 7 HB3 LEU 7 -32.659 -18.602 -56.255
42 HG LEU 7 HG LEU 7 -31.765 -16.648 -54.531
43 HD11 LEU 7 HD11 LEU 7 -30.877 -14.831 -55.768
44 HD12 LEU 7 HD12 LEU 7 -31.266 -15.585 -57.314
45 HD13 LEU 7 HD13 LEU 7 -29.956 -16.230 -56.324
46 HD21 LEU 7 HD21 LEU 7 -34.051 -16.930 -55.444
47 HD22 LEU 7 HD22 LEU 7 -33.502 -16.303 -56.998
48 HD23 LEU 7 HD23 LEU 7 -33.512 -15.255 -55.579
49 H LYS 8 H LYS 8 -32.450 -20.769 -55.864
50 HA LYS 8 HA LYS 8 -30.463 -22.862 -55.935
51 HB2 LYS 8 HB2 LYS 8 -33.325 -22.793 -56.923
52 HB3 LYS 8 HB3 LYS 8 -32.314 -24.237 -56.840
53 HG2 LYS 8 HG2 LYS 8 -32.442 -24.364 -54.552
54 HG3 LYS 8 HG3 LYS 8 -32.519 -22.612 -54.355
55 HD2 LYS 8 HD2 LYS 8 -34.815 -24.072 -55.635
56 HD3 LYS 8 HD3 LYS 8 -34.662 -24.045 -53.878
57 HE2 LYS 8 HE2 LYS 8 -34.330 -21.443 -55.285
58 HE3 LYS 8 HE3 LYS 8 -35.959 -22.118 -55.241
59 HZ1 LYS 8 HZ1 LYS 8 -36.066 -21.222 -53.220
60 HZ2 LYS 8 HZ2 LYS 8 -34.386 -20.989 -53.120
61 HZ3 LYS 8 HZ3 LYS 8 -35.064 -22.494 -52.715
62 HN1 NH2 9 HN1 NH2 9 -31.611 -22.135 -59.779
63 HN2 NH2 9 HN2 NH2 9 -32.375 -23.253 -58.756
64 H1 A2G 10 H1 A2G 10 -29.886 -18.985 -50.552
65 H2 A2G 10 H2 A2G 10 -31.826 -20.492 -50.303
66 HN2 A2G 10 HN2 A2G 10 -32.521 -17.618 -50.151
67 H3 A2G 10 H3 A2G 10 -32.492 -18.829 -47.861
68 HO3 A2G 10 HO3 A2G 10 -33.711 -21.193 -48.067
69 H4 A2G 10 H4 A2G 10 -31.885 -20.753 -46.532
70 HO4 A2G 10 HO4 A2G 10 -30.706 -22.267 -48.399
71 H5 A2G 10 H5 A2G 10 -30.034 -19.239 -47.135
72 H6 A2G 10 H6 A2G 10 -29.270 -22.177 -47.217
73 H8 A2G 10 H8 A2G 10 -33.527 -17.550 -53.272
74 H8A A2G 10 H8A A2G 10 -34.969 -17.886 -52.316
75 H8B A2G 10 H8B A2G 10 -33.748 -16.770 -51.707
76 H14 A2G 10 H14 A2G 10 -28.167 -20.852 -46.845
77 H15 A2G 10 H15 A2G 10 -29.133 -21.930 -44.996
Start of MODEL 36
1 H1 ACE 1 H1 ACE 1 -26.734 -7.666 -42.376
2 H2 ACE 1 H2 ACE 1 -27.195 -8.954 -41.264
3 H3 ACE 1 H3 ACE 1 -28.430 -7.898 -41.951
4 HA PRO 2 HA PRO 2 -28.123 -11.679 -44.620
5 HB2 PRO 2 HB2 PRO 2 -30.981 -11.972 -44.390
6 HB3 PRO 2 HB3 PRO 2 -29.716 -13.040 -43.763
7 HG2 PRO 2 HG2 PRO 2 -31.416 -11.492 -42.233
8 HG3 PRO 2 HG3 PRO 2 -29.886 -12.193 -41.686
9 HD2 PRO 2 HD2 PRO 2 -30.493 -9.381 -42.474
10 HD3 PRO 2 HD3 PRO 2 -29.300 -9.998 -41.308
11 H THR 3 H THR 3 -27.758 -10.699 -46.569
12 HA THR 3 HA THR 3 -29.762 -8.925 -47.731
13 HB THR 3 HB THR 3 -28.087 -8.670 -49.554
14 HG1 THR 3 HG1 THR 3 -26.075 -9.863 -48.200
15 HG21 THR 3 HG21 THR 3 -26.185 -7.952 -47.763
16 HG22 THR 3 HG22 THR 3 -27.570 -8.128 -46.686
17 HG23 THR 3 HG23 THR 3 -27.648 -7.011 -48.047
18 H THR 4 H THR 4 -27.972 -11.792 -48.896
19 HA THR 4 HA THR 4 -30.440 -12.904 -49.987
20 HB THR 4 HB THR 4 -28.762 -13.224 -52.146
21 HG1 THR 4 HG1 THR 4 -28.633 -10.500 -51.747
22 HG21 THR 4 HG21 THR 4 -30.240 -11.501 -53.207
23 HG22 THR 4 HG22 THR 4 -30.863 -11.109 -51.604
24 HG23 THR 4 HG23 THR 4 -31.131 -12.713 -52.286
25 H THR 5 H THR 5 -29.908 -15.062 -51.112
26 HA THR 5 HA THR 5 -27.526 -16.378 -50.044
27 HB THR 5 HB THR 5 -29.011 -18.262 -49.167
28 HG21 THR 5 HG21 THR 5 -27.913 -16.147 -47.906
29 HG22 THR 5 HG22 THR 5 -28.876 -17.359 -47.060
30 HG23 THR 5 HG23 THR 5 -29.613 -15.835 -47.556
31 HA PRO 6 HA PRO 6 -27.328 -18.662 -53.759
32 HB2 PRO 6 HB2 PRO 6 -27.494 -21.276 -52.562
33 HB3 PRO 6 HB3 PRO 6 -26.055 -20.433 -53.152
34 HG2 PRO 6 HG2 PRO 6 -27.040 -20.744 -50.422
35 HG3 PRO 6 HG3 PRO 6 -25.426 -20.306 -50.997
36 HD2 PRO 6 HD2 PRO 6 -27.109 -18.529 -49.767
37 HD3 PRO 6 HD3 PRO 6 -25.881 -18.041 -50.958
38 H LEU 7 H LEU 7 -29.236 -18.337 -54.843
39 HA LEU 7 HA LEU 7 -31.743 -19.428 -53.987
40 HB2 LEU 7 HB2 LEU 7 -32.615 -18.552 -56.074
41 HB3 LEU 7 HB3 LEU 7 -31.522 -17.360 -55.369
42 HG LEU 7 HG LEU 7 -29.824 -18.924 -56.897
43 HD11 LEU 7 HD11 LEU 7 -31.768 -20.050 -57.926
44 HD12 LEU 7 HD12 LEU 7 -30.906 -19.068 -59.109
45 HD13 LEU 7 HD13 LEU 7 -32.416 -18.483 -58.412
46 HD21 LEU 7 HD21 LEU 7 -29.811 -16.465 -56.708
47 HD22 LEU 7 HD22 LEU 7 -31.286 -16.378 -57.672
48 HD23 LEU 7 HD23 LEU 7 -29.788 -16.956 -58.402
49 H LYS 8 H LYS 8 -33.050 -20.718 -55.716
50 HA LYS 8 HA LYS 8 -31.532 -22.656 -57.231
51 HB2 LYS 8 HB2 LYS 8 -32.930 -23.432 -54.670
52 HB3 LYS 8 HB3 LYS 8 -32.562 -24.595 -55.944
53 HG2 LYS 8 HG2 LYS 8 -30.144 -23.661 -55.804
54 HG3 LYS 8 HG3 LYS 8 -30.648 -23.001 -54.247
55 HD2 LYS 8 HD2 LYS 8 -29.685 -25.159 -53.804
56 HD3 LYS 8 HD3 LYS 8 -31.432 -25.334 -53.630
57 HE2 LYS 8 HE2 LYS 8 -30.603 -25.764 -56.384
58 HE3 LYS 8 HE3 LYS 8 -29.764 -26.860 -55.286
59 HZ1 LYS 8 HZ1 LYS 8 -32.666 -26.439 -55.023
60 HZ2 LYS 8 HZ2 LYS 8 -31.730 -27.776 -54.553
61 HZ3 LYS 8 HZ3 LYS 8 -32.070 -27.510 -56.196
62 HN1 NH2 9 HN1 NH2 9 -34.508 -23.827 -58.657
63 HN2 NH2 9 HN2 NH2 9 -33.807 -24.631 -57.336
64 H1 A2G 10 H1 A2G 10 -30.695 -18.604 -50.702
65 H2 A2G 10 H2 A2G 10 -33.105 -19.057 -50.412
66 HN2 A2G 10 HN2 A2G 10 -32.487 -16.223 -51.006
67 H3 A2G 10 H3 A2G 10 -33.073 -16.688 -48.526
68 HO3 A2G 10 HO3 A2G 10 -35.127 -18.565 -48.801
69 H4 A2G 10 H4 A2G 10 -33.414 -18.266 -46.729
70 HO4 A2G 10 HO4 A2G 10 -33.088 -20.386 -48.550
71 H5 A2G 10 H5 A2G 10 -31.066 -17.866 -47.373
72 H6 A2G 10 H6 A2G 10 -31.646 -20.768 -46.695
73 H8 A2G 10 H8 A2G 10 -32.615 -16.161 -53.690
74 H8A A2G 10 H8A A2G 10 -34.285 -16.582 -54.072
75 H8B A2G 10 H8B A2G 10 -33.941 -15.369 -52.839
76 H14 A2G 10 H14 A2G 10 -30.100 -19.955 -46.453
77 H15 A2G 10 H15 A2G 10 -32.170 -18.556 -45.399
Start of MODEL 37
1 H1 ACE 1 H1 ACE 1 -28.064 -9.631 -50.492
2 H2 ACE 1 H2 ACE 1 -26.904 -10.952 -50.638
3 H3 ACE 1 H3 ACE 1 -26.442 -9.459 -49.820
4 HA PRO 2 HA PRO 2 -27.584 -10.727 -45.790
5 HB2 PRO 2 HB2 PRO 2 -29.893 -9.044 -45.427
6 HB3 PRO 2 HB3 PRO 2 -28.257 -8.810 -44.793
7 HG2 PRO 2 HG2 PRO 2 -29.556 -7.569 -47.095
8 HG3 PRO 2 HG3 PRO 2 -28.127 -7.053 -46.190
9 HD2 PRO 2 HD2 PRO 2 -28.004 -8.053 -48.737
10 HD3 PRO 2 HD3 PRO 2 -26.673 -8.207 -47.567
11 H THR 3 H THR 3 -30.645 -9.981 -47.487
12 HA THR 3 HA THR 3 -31.880 -12.372 -46.364
13 HB THR 3 HB THR 3 -33.370 -10.794 -48.361
14 HG1 THR 3 HG1 THR 3 -33.555 -9.023 -47.017
15 HG21 THR 3 HG21 THR 3 -34.350 -12.550 -46.895
16 HG22 THR 3 HG22 THR 3 -35.108 -10.976 -46.657
17 HG23 THR 3 HG23 THR 3 -33.932 -11.573 -45.487
18 H THR 4 H THR 4 -29.697 -12.712 -48.248
19 HA THR 4 HA THR 4 -31.068 -14.468 -50.132
20 HB THR 4 HB THR 4 -29.190 -13.333 -51.795
21 HG1 THR 4 HG1 THR 4 -30.544 -11.112 -50.868
22 HG21 THR 4 HG21 THR 4 -31.187 -12.264 -52.871
23 HG22 THR 4 HG22 THR 4 -32.131 -12.699 -51.447
24 HG23 THR 4 HG23 THR 4 -31.434 -13.962 -52.462
25 H THR 5 H THR 5 -29.763 -16.147 -50.902
26 HA THR 5 HA THR 5 -26.957 -16.236 -50.094
27 HB THR 5 HB THR 5 -27.607 -18.674 -49.199
28 HG21 THR 5 HG21 THR 5 -27.989 -16.185 -47.516
29 HG22 THR 5 HG22 THR 5 -26.412 -16.810 -47.994
30 HG23 THR 5 HG23 THR 5 -27.465 -17.773 -46.959
31 HA PRO 6 HA PRO 6 -26.114 -18.426 -53.771
32 HB2 PRO 6 HB2 PRO 6 -25.099 -20.830 -52.551
33 HB3 PRO 6 HB3 PRO 6 -24.184 -19.495 -53.268
34 HG2 PRO 6 HG2 PRO 6 -24.740 -20.072 -50.460
35 HG3 PRO 6 HG3 PRO 6 -23.498 -19.036 -51.177
36 HD2 PRO 6 HD2 PRO 6 -25.660 -18.054 -49.814
37 HD3 PRO 6 HD3 PRO 6 -24.838 -17.155 -51.109
38 H LEU 7 H LEU 7 -28.587 -18.606 -53.823
39 HA LEU 7 HA LEU 7 -29.289 -21.289 -54.523
40 HB2 LEU 7 HB2 LEU 7 -29.488 -21.136 -51.929
41 HB3 LEU 7 HB3 LEU 7 -30.944 -20.198 -52.267
42 HG LEU 7 HG LEU 7 -31.412 -22.226 -53.940
43 HD11 LEU 7 HD11 LEU 7 -29.171 -23.247 -53.238
44 HD12 LEU 7 HD12 LEU 7 -30.570 -24.318 -53.160
45 HD13 LEU 7 HD13 LEU 7 -29.932 -23.593 -51.685
46 HD21 LEU 7 HD21 LEU 7 -31.876 -22.094 -50.954
47 HD22 LEU 7 HD22 LEU 7 -32.596 -23.353 -51.956
48 HD23 LEU 7 HD23 LEU 7 -32.993 -21.659 -52.247
49 H LYS 8 H LYS 8 -32.163 -20.531 -53.706
50 HA LYS 8 HA LYS 8 -32.780 -18.232 -55.334
51 HB2 LYS 8 HB2 LYS 8 -32.509 -20.684 -56.667
52 HB3 LYS 8 HB3 LYS 8 -34.247 -20.445 -56.484
53 HG2 LYS 8 HG2 LYS 8 -32.304 -18.417 -57.630
54 HG3 LYS 8 HG3 LYS 8 -33.429 -19.401 -58.566
55 HD2 LYS 8 HD2 LYS 8 -35.033 -18.238 -56.606
56 HD3 LYS 8 HD3 LYS 8 -33.927 -16.945 -57.072
57 HE2 LYS 8 HE2 LYS 8 -35.623 -18.597 -58.968
58 HE3 LYS 8 HE3 LYS 8 -35.918 -16.919 -58.512
59 HZ1 LYS 8 HZ1 LYS 8 -34.551 -16.294 -60.115
60 HZ2 LYS 8 HZ2 LYS 8 -34.228 -17.912 -60.521
61 HZ3 LYS 8 HZ3 LYS 8 -33.271 -17.116 -59.363
62 HN1 NH2 9 HN1 NH2 9 -34.632 -17.424 -53.753
63 HN2 NH2 9 HN2 NH2 9 -35.970 -18.193 -54.462
64 H1 A2G 10 H1 A2G 10 -29.493 -19.168 -50.376
65 H2 A2G 10 H2 A2G 10 -31.721 -20.063 -49.801
66 HN2 A2G 10 HN2 A2G 10 -31.679 -17.106 -49.957
67 H3 A2G 10 H3 A2G 10 -31.693 -18.017 -47.566
68 HO3 A2G 10 HO3 A2G 10 -33.705 -18.666 -48.612
69 H4 A2G 10 H4 A2G 10 -31.473 -19.871 -46.032
70 HO4 A2G 10 HO4 A2G 10 -30.909 -21.851 -47.736
71 H5 A2G 10 H5 A2G 10 -29.363 -18.985 -46.954
72 H6 A2G 10 H6 A2G 10 -29.345 -22.013 -46.730
73 H8 A2G 10 H8 A2G 10 -32.820 -17.085 -53.035
74 H8A A2G 10 H8A A2G 10 -34.245 -17.007 -51.997
75 H8B A2G 10 H8B A2G 10 -32.776 -16.142 -51.544
76 H14 A2G 10 H14 A2G 10 -27.950 -20.954 -46.524
77 H15 A2G 10 H15 A2G 10 -28.560 -20.628 -44.561
Start of MODEL 38
1 H1 ACE 1 H1 ACE 1 -32.323 -7.293 -44.412
2 H2 ACE 1 H2 ACE 1 -33.503 -7.347 -45.721
3 H3 ACE 1 H3 ACE 1 -32.151 -6.218 -45.798
4 HA PRO 2 HA PRO 2 -29.408 -8.863 -47.951
5 HB2 PRO 2 HB2 PRO 2 -27.559 -9.440 -45.818
6 HB3 PRO 2 HB3 PRO 2 -27.366 -8.295 -47.155
7 HG2 PRO 2 HG2 PRO 2 -28.118 -7.802 -44.377
8 HG3 PRO 2 HG3 PRO 2 -27.499 -6.680 -45.597
9 HD2 PRO 2 HD2 PRO 2 -30.086 -6.635 -44.698
10 HD3 PRO 2 HD3 PRO 2 -29.613 -6.097 -46.325
11 H THR 3 H THR 3 -30.201 -10.832 -48.445
12 HA THR 3 HA THR 3 -29.818 -13.025 -46.564
13 HB THR 3 HB THR 3 -32.070 -12.234 -46.001
14 HG1 THR 3 HG1 THR 3 -33.146 -14.267 -46.962
15 HG21 THR 3 HG21 THR 3 -33.563 -11.549 -47.551
16 HG22 THR 3 HG22 THR 3 -33.293 -12.976 -48.552
17 HG23 THR 3 HG23 THR 3 -32.219 -11.586 -48.692
18 H THR 4 H THR 4 -28.613 -12.295 -49.071
19 HA THR 4 HA THR 4 -29.744 -14.137 -51.038
20 HB THR 4 HB THR 4 -27.582 -13.284 -52.291
21 HG1 THR 4 HG1 THR 4 -26.537 -11.867 -51.182
22 HG21 THR 4 HG21 THR 4 -28.888 -11.343 -53.079
23 HG22 THR 4 HG22 THR 4 -29.973 -11.518 -51.700
24 HG23 THR 4 HG23 THR 4 -29.903 -12.777 -52.932
25 H THR 5 H THR 5 -28.982 -16.127 -51.444
26 HA THR 5 HA THR 5 -26.297 -16.891 -50.593
27 HB THR 5 HB THR 5 -27.560 -19.031 -49.583
28 HG21 THR 5 HG21 THR 5 -25.899 -17.579 -48.435
29 HG22 THR 5 HG22 THR 5 -27.229 -18.034 -47.371
30 HG23 THR 5 HG23 THR 5 -27.183 -16.422 -48.085
31 HA PRO 6 HA PRO 6 -26.055 -19.413 -54.142
32 HB2 PRO 6 HB2 PRO 6 -25.686 -21.929 -52.789
33 HB3 PRO 6 HB3 PRO 6 -24.462 -20.913 -53.564
34 HG2 PRO 6 HG2 PRO 6 -25.138 -21.181 -50.737
35 HG3 PRO 6 HG3 PRO 6 -23.674 -20.536 -51.492
36 HD2 PRO 6 HD2 PRO 6 -25.510 -18.963 -50.205
37 HD3 PRO 6 HD3 PRO 6 -24.488 -18.374 -51.535
38 H LEU 7 H LEU 7 -28.516 -18.936 -54.133
39 HA LEU 7 HA LEU 7 -29.881 -21.367 -54.768
40 HB2 LEU 7 HB2 LEU 7 -29.986 -21.196 -52.194
41 HB3 LEU 7 HB3 LEU 7 -31.105 -19.861 -52.467
42 HG LEU 7 HG LEU 7 -32.186 -21.659 -54.149
43 HD11 LEU 7 HD11 LEU 7 -30.321 -23.278 -53.334
44 HD12 LEU 7 HD12 LEU 7 -31.974 -23.889 -53.413
45 HD13 LEU 7 HD13 LEU 7 -31.285 -23.407 -51.863
46 HD21 LEU 7 HD21 LEU 7 -32.596 -21.485 -51.147
47 HD22 LEU 7 HD22 LEU 7 -33.728 -22.255 -52.257
48 HD23 LEU 7 HD23 LEU 7 -33.412 -20.524 -52.379
49 H LYS 8 H LYS 8 -32.413 -19.791 -53.809
50 HA LYS 8 HA LYS 8 -32.467 -17.502 -55.563
51 HB2 LYS 8 HB2 LYS 8 -34.091 -18.340 -57.143
52 HB3 LYS 8 HB3 LYS 8 -32.700 -19.424 -57.154
53 HG2 LYS 8 HG2 LYS 8 -34.052 -20.724 -55.311
54 HG3 LYS 8 HG3 LYS 8 -35.436 -19.871 -55.998
55 HD2 LYS 8 HD2 LYS 8 -35.443 -21.730 -57.363
56 HD3 LYS 8 HD3 LYS 8 -34.338 -20.711 -58.286
57 HE2 LYS 8 HE2 LYS 8 -33.158 -22.735 -58.128
58 HE3 LYS 8 HE3 LYS 8 -32.483 -21.787 -56.803
59 HZ1 LYS 8 HZ1 LYS 8 -32.990 -23.841 -55.862
60 HZ2 LYS 8 HZ2 LYS 8 -34.476 -23.966 -56.676
61 HZ3 LYS 8 HZ3 LYS 8 -34.294 -22.857 -55.402
62 HN1 NH2 9 HN1 NH2 9 -34.445 -19.004 -52.689
63 HN2 NH2 9 HN2 NH2 9 -35.395 -19.536 -53.992
64 H1 A2G 10 H1 A2G 10 -29.501 -18.988 -50.809
65 H2 A2G 10 H2 A2G 10 -31.902 -19.209 -50.273
66 HN2 A2G 10 HN2 A2G 10 -31.091 -16.364 -50.384
67 H3 A2G 10 H3 A2G 10 -31.331 -17.243 -48.040
68 HO3 A2G 10 HO3 A2G 10 -33.633 -18.742 -48.119
69 H4 A2G 10 H4 A2G 10 -31.674 -19.073 -46.500
70 HO4 A2G 10 HO4 A2G 10 -33.015 -20.116 -48.409
71 H5 A2G 10 H5 A2G 10 -29.384 -18.830 -47.384
72 H6 A2G 10 H6 A2G 10 -30.056 -21.779 -47.289
73 H8 A2G 10 H8 A2G 10 -31.859 -15.955 -53.481
74 H8A A2G 10 H8A A2G 10 -33.422 -15.742 -52.692
75 H8B A2G 10 H8B A2G 10 -31.956 -15.124 -51.929
76 H14 A2G 10 H14 A2G 10 -28.576 -20.986 -46.749
77 H15 A2G 10 H15 A2G 10 -31.085 -21.122 -45.538
Start of MODEL 39
1 H1 ACE 1 H1 ACE 1 -29.080 -9.573 -51.619
2 H2 ACE 1 H2 ACE 1 -29.535 -7.890 -51.355
3 H3 ACE 1 H3 ACE 1 -30.658 -9.182 -50.934
4 HA PRO 2 HA PRO 2 -28.244 -8.081 -47.131
5 HB2 PRO 2 HB2 PRO 2 -30.744 -7.827 -45.719
6 HB3 PRO 2 HB3 PRO 2 -29.572 -6.560 -46.108
7 HG2 PRO 2 HG2 PRO 2 -32.105 -6.788 -47.184
8 HG3 PRO 2 HG3 PRO 2 -30.776 -5.839 -47.865
9 HD2 PRO 2 HD2 PRO 2 -31.821 -8.497 -48.720
10 HD3 PRO 2 HD3 PRO 2 -31.053 -7.217 -49.688
11 H THR 3 H THR 3 -30.635 -10.386 -47.994
12 HA THR 3 HA THR 3 -29.544 -12.296 -46.082
13 HB THR 3 HB THR 3 -31.390 -11.288 -44.823
14 HG1 THR 3 HG1 THR 3 -31.216 -13.409 -44.404
15 HG21 THR 3 HG21 THR 3 -33.338 -10.696 -45.788
16 HG22 THR 3 HG22 THR 3 -33.550 -12.301 -46.487
17 HG23 THR 3 HG23 THR 3 -32.592 -11.089 -47.337
18 H THR 4 H THR 4 -28.755 -13.150 -48.118
19 HA THR 4 HA THR 4 -30.672 -15.008 -49.295
20 HB THR 4 HB THR 4 -29.122 -13.831 -51.432
21 HG1 THR 4 HG1 THR 4 -30.257 -12.147 -49.603
22 HG21 THR 4 HG21 THR 4 -31.171 -15.227 -51.643
23 HG22 THR 4 HG22 THR 4 -31.332 -13.675 -52.464
24 HG23 THR 4 HG23 THR 4 -32.104 -13.930 -50.900
25 H THR 5 H THR 5 -29.581 -16.612 -50.699
26 HA THR 5 HA THR 5 -26.685 -16.827 -50.381
27 HB THR 5 HB THR 5 -27.270 -19.341 -49.649
28 HG21 THR 5 HG21 THR 5 -27.307 -17.103 -47.615
29 HG22 THR 5 HG22 THR 5 -25.846 -17.552 -48.498
30 HG23 THR 5 HG23 THR 5 -26.629 -18.722 -47.436
31 HA PRO 6 HA PRO 6 -26.508 -18.639 -54.341
32 HB2 PRO 6 HB2 PRO 6 -25.435 -21.193 -53.553
33 HB3 PRO 6 HB3 PRO 6 -24.576 -19.816 -54.260
34 HG2 PRO 6 HG2 PRO 6 -24.727 -20.684 -51.476
35 HG3 PRO 6 HG3 PRO 6 -23.560 -19.614 -52.265
36 HD2 PRO 6 HD2 PRO 6 -25.443 -18.722 -50.485
37 HD3 PRO 6 HD3 PRO 6 -24.784 -17.711 -51.791
38 H LEU 7 H LEU 7 -28.904 -18.761 -54.285
39 HA LEU 7 HA LEU 7 -29.804 -21.405 -54.929
40 HB2 LEU 7 HB2 LEU 7 -29.864 -21.084 -52.292
41 HB3 LEU 7 HB3 LEU 7 -31.366 -20.239 -52.670
42 HG LEU 7 HG LEU 7 -31.872 -22.584 -52.274
43 HD11 LEU 7 HD11 LEU 7 -31.897 -22.230 -55.274
44 HD12 LEU 7 HD12 LEU 7 -32.939 -21.272 -54.222
45 HD13 LEU 7 HD13 LEU 7 -33.096 -23.029 -54.257
46 HD21 LEU 7 HD21 LEU 7 -30.415 -23.625 -54.605
47 HD22 LEU 7 HD22 LEU 7 -30.546 -24.288 -52.976
48 HD23 LEU 7 HD23 LEU 7 -29.353 -23.037 -53.326
49 H LYS 8 H LYS 8 -31.128 -18.315 -53.713
50 HA LYS 8 HA LYS 8 -32.294 -17.703 -56.279
51 HB2 LYS 8 HB2 LYS 8 -33.854 -19.123 -54.293
52 HB3 LYS 8 HB3 LYS 8 -34.558 -17.543 -54.640
53 HG2 LYS 8 HG2 LYS 8 -34.475 -18.041 -57.060
54 HG3 LYS 8 HG3 LYS 8 -33.795 -19.629 -56.705
55 HD2 LYS 8 HD2 LYS 8 -36.009 -20.237 -56.806
56 HD3 LYS 8 HD3 LYS 8 -35.958 -19.744 -55.113
57 HE2 LYS 8 HE2 LYS 8 -37.840 -18.613 -56.023
58 HE3 LYS 8 HE3 LYS 8 -36.569 -17.393 -55.948
59 HZ1 LYS 8 HZ1 LYS 8 -37.377 -17.160 -58.079
60 HZ2 LYS 8 HZ2 LYS 8 -37.628 -18.827 -58.293
61 HZ3 LYS 8 HZ3 LYS 8 -36.053 -18.191 -58.325
62 HN1 NH2 9 HN1 NH2 9 -33.906 -15.034 -54.278
63 HN2 NH2 9 HN2 NH2 9 -33.546 -15.261 -55.921
64 H1 A2G 10 H1 A2G 10 -29.274 -19.852 -50.395
65 H2 A2G 10 H2 A2G 10 -31.399 -20.718 -49.482
66 HN2 A2G 10 HN2 A2G 10 -31.341 -17.765 -49.688
67 H3 A2G 10 H3 A2G 10 -31.017 -18.653 -47.299
68 HO3 A2G 10 HO3 A2G 10 -32.859 -20.784 -47.431
69 H4 A2G 10 H4 A2G 10 -30.588 -20.495 -45.796
70 HO4 A2G 10 HO4 A2G 10 -31.717 -21.887 -47.784
71 H5 A2G 10 H5 A2G 10 -28.631 -19.640 -47.032
72 H6 A2G 10 H6 A2G 10 -28.481 -22.664 -46.915
73 H8 A2G 10 H8 A2G 10 -32.923 -17.644 -52.458
74 H8A A2G 10 H8A A2G 10 -34.273 -17.755 -51.329
75 H8B A2G 10 H8B A2G 10 -32.850 -16.801 -50.911
76 H14 A2G 10 H14 A2G 10 -27.175 -21.509 -46.651
77 H15 A2G 10 H15 A2G 10 -28.946 -20.787 -44.954
Start of MODEL 40
1 H1 ACE 1 H1 ACE 1 -26.067 -5.265 -44.061
2 H2 ACE 1 H2 ACE 1 -25.483 -5.101 -45.717
3 H3 ACE 1 H3 ACE 1 -24.911 -6.429 -44.706
4 HA PRO 2 HA PRO 2 -28.668 -7.433 -47.605
5 HB2 PRO 2 HB2 PRO 2 -27.145 -9.762 -48.345
6 HB3 PRO 2 HB3 PRO 2 -27.645 -8.410 -49.373
7 HG2 PRO 2 HG2 PRO 2 -25.060 -8.940 -48.121
8 HG3 PRO 2 HG3 PRO 2 -25.464 -7.875 -49.475
9 HD2 PRO 2 HD2 PRO 2 -24.744 -6.942 -47.003
10 HD3 PRO 2 HD3 PRO 2 -25.812 -6.047 -48.106
11 H THR 3 H THR 3 -29.845 -9.577 -47.529
12 HA THR 3 HA THR 3 -29.208 -11.289 -45.256
13 HB THR 3 HB THR 3 -31.899 -9.922 -45.369
14 HG1 THR 3 HG1 THR 3 -29.491 -9.042 -44.451
15 HG21 THR 3 HG21 THR 3 -31.787 -12.102 -44.219
16 HG22 THR 3 HG22 THR 3 -32.070 -10.792 -43.072
17 HG23 THR 3 HG23 THR 3 -30.464 -11.505 -43.219
18 H THR 4 H THR 4 -28.954 -12.464 -47.444
19 HA THR 4 HA THR 4 -31.360 -14.068 -47.818
20 HB THR 4 HB THR 4 -30.350 -13.579 -50.437
21 HG1 THR 4 HG1 THR 4 -29.614 -11.604 -49.787
22 HG21 THR 4 HG21 THR 4 -32.673 -12.823 -50.808
23 HG22 THR 4 HG22 THR 4 -32.926 -12.760 -49.065
24 HG23 THR 4 HG23 THR 4 -32.627 -14.306 -49.858
25 H THR 5 H THR 5 -30.663 -15.644 -49.860
26 HA THR 5 HA THR 5 -27.903 -16.532 -49.506
27 HB THR 5 HB THR 5 -28.707 -18.889 -49.063
28 HG21 THR 5 HG21 THR 5 -28.563 -18.551 -46.786
29 HG22 THR 5 HG22 THR 5 -29.693 -17.201 -46.815
30 HG23 THR 5 HG23 THR 5 -28.025 -16.961 -47.331
31 HA PRO 6 HA PRO 6 -28.036 -17.495 -53.782
32 HB2 PRO 6 HB2 PRO 6 -27.127 -20.214 -53.587
33 HB3 PRO 6 HB3 PRO 6 -26.199 -18.779 -54.046
34 HG2 PRO 6 HG2 PRO 6 -26.210 -20.234 -51.547
35 HG3 PRO 6 HG3 PRO 6 -25.096 -18.986 -52.116
36 HD2 PRO 6 HD2 PRO 6 -26.968 -18.659 -50.078
37 HD3 PRO 6 HD3 PRO 6 -26.176 -17.341 -50.971
38 H LEU 7 H LEU 7 -30.162 -17.611 -54.412
39 HA LEU 7 HA LEU 7 -31.929 -19.711 -53.596
40 HB2 LEU 7 HB2 LEU 7 -33.562 -18.640 -54.911
41 HB3 LEU 7 HB3 LEU 7 -32.534 -17.319 -54.357
42 HG LEU 7 HG LEU 7 -32.389 -18.699 -57.053
43 HD11 LEU 7 HD11 LEU 7 -33.992 -16.583 -56.122
44 HD12 LEU 7 HD12 LEU 7 -33.709 -17.034 -57.803
45 HD13 LEU 7 HD13 LEU 7 -32.693 -15.815 -57.034
46 HD21 LEU 7 HD21 LEU 7 -30.698 -16.806 -57.467
47 HD22 LEU 7 HD22 LEU 7 -30.147 -18.144 -56.459
48 HD23 LEU 7 HD23 LEU 7 -30.641 -16.624 -55.714
49 H LYS 8 H LYS 8 -33.252 -20.652 -55.684
50 HA LYS 8 HA LYS 8 -31.530 -21.577 -57.806
51 HB2 LYS 8 HB2 LYS 8 -30.988 -23.019 -55.744
52 HB3 LYS 8 HB3 LYS 8 -32.599 -23.706 -55.961
53 HG2 LYS 8 HG2 LYS 8 -31.545 -25.151 -57.370
54 HG3 LYS 8 HG3 LYS 8 -31.630 -23.813 -58.517
55 HD2 LYS 8 HD2 LYS 8 -29.403 -23.036 -57.765
56 HD3 LYS 8 HD3 LYS 8 -29.314 -24.397 -56.647
57 HE2 LYS 8 HE2 LYS 8 -29.805 -24.844 -59.588
58 HE3 LYS 8 HE3 LYS 8 -28.167 -24.648 -58.964
59 HZ1 LYS 8 HZ1 LYS 8 -30.147 -26.659 -58.037
60 HZ2 LYS 8 HZ2 LYS 8 -28.574 -26.465 -57.423
61 HZ3 LYS 8 HZ3 LYS 8 -28.806 -26.973 -59.028
62 HN1 NH2 9 HN1 NH2 9 -35.480 -21.552 -57.503
63 HN2 NH2 9 HN2 NH2 9 -34.755 -22.291 -56.158
64 H1 A2G 10 H1 A2G 10 -30.464 -19.309 -50.525
65 H2 A2G 10 H2 A2G 10 -32.550 -20.568 -50.199
66 HN2 A2G 10 HN2 A2G 10 -32.920 -17.647 -49.898
67 H3 A2G 10 H3 A2G 10 -32.888 -18.947 -47.664
68 HO3 A2G 10 HO3 A2G 10 -34.854 -19.541 -48.090
69 H4 A2G 10 H4 A2G 10 -32.439 -20.995 -46.450
70 HO4 A2G 10 HO4 A2G 10 -33.098 -22.126 -48.690
71 H5 A2G 10 H5 A2G 10 -30.490 -19.617 -47.107
72 H6 A2G 10 H6 A2G 10 -30.064 -22.620 -47.217
73 H8 A2G 10 H8 A2G 10 -34.328 -17.365 -52.881
74 H8A A2G 10 H8A A2G 10 -35.620 -17.614 -51.706
75 H8B A2G 10 H8B A2G 10 -34.222 -16.625 -51.284
76 H14 A2G 10 H14 A2G 10 -28.768 -21.445 -46.995
77 H15 A2G 10 H15 A2G 10 -29.371 -22.008 -44.976
Start of MODEL 41
1 H1 ACE 1 H1 ACE 1 -24.554 -11.104 -49.020
2 H2 ACE 1 H2 ACE 1 -24.970 -9.593 -49.829
3 H3 ACE 1 H3 ACE 1 -26.190 -10.852 -49.631
4 HA PRO 2 HA PRO 2 -26.587 -7.892 -46.083
5 HB2 PRO 2 HB2 PRO 2 -29.404 -7.702 -46.667
6 HB3 PRO 2 HB3 PRO 2 -28.169 -6.442 -46.806
7 HG2 PRO 2 HG2 PRO 2 -29.500 -7.624 -48.917
8 HG3 PRO 2 HG3 PRO 2 -27.980 -6.724 -49.029
9 HD2 PRO 2 HD2 PRO 2 -28.430 -9.672 -49.073
10 HD3 PRO 2 HD3 PRO 2 -27.152 -8.709 -49.851
11 H THR 3 H THR 3 -29.480 -9.815 -46.904
12 HA THR 3 HA THR 3 -29.051 -11.560 -44.608
13 HB THR 3 HB THR 3 -31.309 -11.072 -43.683
14 HG1 THR 3 HG1 THR 3 -31.309 -9.435 -45.888
15 HG21 THR 3 HG21 THR 3 -30.637 -9.133 -42.474
16 HG22 THR 3 HG22 THR 3 -29.650 -8.551 -43.814
17 HG23 THR 3 HG23 THR 3 -29.142 -9.968 -42.894
18 H THR 4 H THR 4 -28.860 -12.504 -47.042
19 HA THR 4 HA THR 4 -31.258 -14.139 -47.340
20 HB THR 4 HB THR 4 -30.309 -13.193 -49.944
21 HG1 THR 4 HG1 THR 4 -31.364 -11.166 -49.690
22 HG21 THR 4 HG21 THR 4 -32.719 -13.052 -50.347
23 HG22 THR 4 HG22 THR 4 -33.037 -13.244 -48.623
24 HG23 THR 4 HG23 THR 4 -32.335 -14.575 -49.544
25 H THR 5 H THR 5 -30.654 -15.434 -49.664
26 HA THR 5 HA THR 5 -27.872 -16.324 -49.517
27 HB THR 5 HB THR 5 -28.593 -18.713 -49.332
28 HG21 THR 5 HG21 THR 5 -29.689 -17.278 -46.938
29 HG22 THR 5 HG22 THR 5 -27.989 -17.061 -47.359
30 HG23 THR 5 HG23 THR 5 -28.612 -18.673 -47.007
31 HA PRO 6 HA PRO 6 -27.937 -16.784 -53.846
32 HB2 PRO 6 HB2 PRO 6 -27.340 -19.601 -53.928
33 HB3 PRO 6 HB3 PRO 6 -26.241 -18.240 -54.199
34 HG2 PRO 6 HG2 PRO 6 -26.603 -19.894 -51.821
35 HG3 PRO 6 HG3 PRO 6 -25.250 -18.849 -52.274
36 HD2 PRO 6 HD2 PRO 6 -26.990 -18.249 -50.245
37 HD3 PRO 6 HD3 PRO 6 -26.136 -17.009 -51.193
38 H LEU 7 H LEU 7 -29.368 -17.329 -55.475
39 HA LEU 7 HA LEU 7 -31.912 -18.380 -54.706
40 HB2 LEU 7 HB2 LEU 7 -30.695 -17.489 -57.307
41 HB3 LEU 7 HB3 LEU 7 -32.276 -18.270 -57.271
42 HG LEU 7 HG LEU 7 -33.166 -16.573 -55.812
43 HD11 LEU 7 HD11 LEU 7 -31.612 -14.633 -55.165
44 HD12 LEU 7 HD12 LEU 7 -30.279 -15.697 -55.617
45 HD13 LEU 7 HD13 LEU 7 -31.369 -16.156 -54.308
46 HD21 LEU 7 HD21 LEU 7 -33.307 -14.899 -57.382
47 HD22 LEU 7 HD22 LEU 7 -32.486 -16.097 -58.383
48 HD23 LEU 7 HD23 LEU 7 -31.559 -14.816 -57.601
49 H LYS 8 H LYS 8 -32.850 -19.994 -56.573
50 HA LYS 8 HA LYS 8 -31.058 -22.159 -57.223
51 HB2 LYS 8 HB2 LYS 8 -31.543 -22.522 -54.782
52 HB3 LYS 8 HB3 LYS 8 -33.245 -22.710 -55.208
53 HG2 LYS 8 HG2 LYS 8 -32.825 -24.881 -55.633
54 HG3 LYS 8 HG3 LYS 8 -31.845 -24.360 -57.004
55 HD2 LYS 8 HD2 LYS 8 -30.451 -25.753 -55.613
56 HD3 LYS 8 HD3 LYS 8 -29.908 -24.088 -55.405
57 HE2 LYS 8 HE2 LYS 8 -30.212 -24.344 -53.189
58 HE3 LYS 8 HE3 LYS 8 -31.946 -24.447 -53.499
59 HZ1 LYS 8 HZ1 LYS 8 -31.935 -26.609 -53.064
60 HZ2 LYS 8 HZ2 LYS 8 -30.347 -26.429 -52.487
61 HZ3 LYS 8 HZ3 LYS 8 -30.620 -26.896 -54.097
62 HN1 NH2 9 HN1 NH2 9 -34.381 -23.357 -56.804
63 HN2 NH2 9 HN2 NH2 9 -34.002 -23.911 -58.363
64 H1 A2G 10 H1 A2G 10 -30.180 -19.169 -50.806
65 H2 A2G 10 H2 A2G 10 -32.326 -20.391 -50.794
66 HN2 A2G 10 HN2 A2G 10 -32.618 -17.465 -50.452
67 H3 A2G 10 H3 A2G 10 -32.920 -18.826 -48.269
68 HO3 A2G 10 HO3 A2G 10 -34.623 -19.505 -49.794
69 H4 A2G 10 H4 A2G 10 -32.686 -20.908 -47.066
70 HO4 A2G 10 HO4 A2G 10 -32.079 -22.029 -49.599
71 H5 A2G 10 H5 A2G 10 -30.602 -19.640 -47.434
72 H6 A2G 10 H6 A2G 10 -30.297 -22.651 -47.678
73 H8 A2G 10 H8 A2G 10 -33.479 -17.045 -53.619
74 H8A A2G 10 H8A A2G 10 -34.966 -17.220 -52.687
75 H8B A2G 10 H8B A2G 10 -33.599 -16.337 -52.008
76 H14 A2G 10 H14 A2G 10 -29.002 -21.551 -47.209
77 H15 A2G 10 H15 A2G 10 -31.164 -21.022 -45.747
Start of MODEL 42
1 H1 ACE 1 H1 ACE 1 -30.172 -5.040 -45.751
2 H2 ACE 1 H2 ACE 1 -28.626 -4.583 -46.465
3 H3 ACE 1 H3 ACE 1 -28.706 -5.068 -44.771
4 HA PRO 2 HA PRO 2 -27.551 -8.567 -47.923
5 HB2 PRO 2 HB2 PRO 2 -25.421 -9.168 -46.080
6 HB3 PRO 2 HB3 PRO 2 -25.294 -8.616 -47.757
7 HG2 PRO 2 HG2 PRO 2 -25.022 -7.103 -45.275
8 HG3 PRO 2 HG3 PRO 2 -24.480 -6.699 -46.910
9 HD2 PRO 2 HD2 PRO 2 -26.557 -5.420 -45.663
10 HD3 PRO 2 HD3 PRO 2 -26.440 -5.592 -47.429
11 H THR 3 H THR 3 -29.337 -9.795 -47.331
12 HA THR 3 HA THR 3 -28.928 -11.627 -45.102
13 HB THR 3 HB THR 3 -31.230 -11.216 -44.224
14 HG1 THR 3 HG1 THR 3 -31.855 -10.116 -46.235
15 HG21 THR 3 HG21 THR 3 -29.566 -8.693 -44.157
16 HG22 THR 3 HG22 THR 3 -29.095 -10.160 -43.298
17 HG23 THR 3 HG23 THR 3 -30.604 -9.344 -42.887
18 H THR 4 H THR 4 -28.636 -12.655 -47.394
19 HA THR 4 HA THR 4 -31.084 -14.152 -47.916
20 HB THR 4 HB THR 4 -30.265 -13.697 -50.492
21 HG1 THR 4 HG1 THR 4 -29.270 -11.745 -48.983
22 HG21 THR 4 HG21 THR 4 -32.273 -12.230 -50.617
23 HG22 THR 4 HG22 THR 4 -32.322 -12.191 -48.855
24 HG23 THR 4 HG23 THR 4 -32.577 -13.712 -49.710
25 H THR 5 H THR 5 -30.461 -15.706 -49.933
26 HA THR 5 HA THR 5 -27.704 -16.648 -49.690
27 HB THR 5 HB THR 5 -28.579 -19.005 -49.280
28 HG21 THR 5 HG21 THR 5 -29.329 -17.372 -46.908
29 HG22 THR 5 HG22 THR 5 -27.703 -17.133 -47.550
30 HG23 THR 5 HG23 THR 5 -28.219 -18.737 -47.028
31 HA PRO 6 HA PRO 6 -27.842 -17.637 -53.939
32 HB2 PRO 6 HB2 PRO 6 -27.262 -20.444 -53.657
33 HB3 PRO 6 HB3 PRO 6 -26.160 -19.141 -54.124
34 HG2 PRO 6 HG2 PRO 6 -26.490 -20.462 -51.541
35 HG3 PRO 6 HG3 PRO 6 -25.139 -19.496 -52.153
36 HD2 PRO 6 HD2 PRO 6 -26.840 -18.619 -50.192
37 HD3 PRO 6 HD3 PRO 6 -25.997 -17.522 -51.310
38 H LEU 7 H LEU 7 -29.896 -17.550 -54.717
39 HA LEU 7 HA LEU 7 -31.979 -19.328 -53.882
40 HB2 LEU 7 HB2 LEU 7 -33.338 -18.210 -55.545
41 HB3 LEU 7 HB3 LEU 7 -32.368 -17.000 -54.704
42 HG LEU 7 HG LEU 7 -30.709 -17.775 -56.777
43 HD11 LEU 7 HD11 LEU 7 -33.496 -17.453 -57.917
44 HD12 LEU 7 HD12 LEU 7 -32.725 -19.024 -57.699
45 HD13 LEU 7 HD13 LEU 7 -32.013 -17.837 -58.791
46 HD21 LEU 7 HD21 LEU 7 -32.729 -15.509 -56.698
47 HD22 LEU 7 HD22 LEU 7 -31.305 -15.567 -57.737
48 HD23 LEU 7 HD23 LEU 7 -31.115 -15.476 -55.986
49 H LYS 8 H LYS 8 -33.282 -20.518 -55.632
50 HA LYS 8 HA LYS 8 -31.788 -21.616 -57.842
51 HB2 LYS 8 HB2 LYS 8 -31.320 -22.842 -55.427
52 HB3 LYS 8 HB3 LYS 8 -32.640 -23.808 -56.085
53 HG2 LYS 8 HG2 LYS 8 -31.304 -23.882 -58.268
54 HG3 LYS 8 HG3 LYS 8 -29.947 -23.249 -57.337
55 HD2 LYS 8 HD2 LYS 8 -30.174 -25.166 -55.761
56 HD3 LYS 8 HD3 LYS 8 -31.457 -25.819 -56.781
57 HE2 LYS 8 HE2 LYS 8 -29.536 -25.425 -58.650
58 HE3 LYS 8 HE3 LYS 8 -28.525 -25.746 -57.241
59 HZ1 LYS 8 HZ1 LYS 8 -30.606 -27.477 -58.436
60 HZ2 LYS 8 HZ2 LYS 8 -30.028 -27.726 -56.857
61 HZ3 LYS 8 HZ3 LYS 8 -28.966 -27.827 -58.180
62 HN1 NH2 9 HN1 NH2 9 -33.423 -21.973 -59.446
63 HN2 NH2 9 HN2 NH2 9 -35.038 -21.691 -59.004
64 H1 A2G 10 H1 A2G 10 -30.429 -19.317 -50.616
65 H2 A2G 10 H2 A2G 10 -32.592 -20.430 -50.185
66 HN2 A2G 10 HN2 A2G 10 -32.813 -17.499 -49.825
67 H3 A2G 10 H3 A2G 10 -32.665 -18.763 -47.657
68 HO3 A2G 10 HO3 A2G 10 -34.364 -20.730 -47.612
69 H4 A2G 10 H4 A2G 10 -32.314 -20.817 -46.434
70 HO4 A2G 10 HO4 A2G 10 -31.908 -22.749 -47.642
71 H5 A2G 10 H5 A2G 10 -30.274 -19.666 -47.207
72 H6 A2G 10 H6 A2G 10 -29.992 -22.671 -47.525
73 H8 A2G 10 H8 A2G 10 -33.845 -16.965 -52.898
74 H8A A2G 10 H8A A2G 10 -35.293 -17.326 -51.958
75 H8B A2G 10 H8B A2G 10 -33.990 -16.377 -51.241
76 H14 A2G 10 H14 A2G 10 -28.741 -21.540 -47.011
77 H15 A2G 10 H15 A2G 10 -29.486 -21.678 -45.073
Start of MODEL 43
1 H1 ACE 1 H1 ACE 1 -26.933 -12.504 -42.326
2 H2 ACE 1 H2 ACE 1 -28.292 -12.888 -43.383
3 H3 ACE 1 H3 ACE 1 -28.572 -12.055 -41.855
4 HA PRO 2 HA PRO 2 -26.502 -8.835 -44.755
5 HB2 PRO 2 HB2 PRO 2 -26.369 -9.893 -47.433
6 HB3 PRO 2 HB3 PRO 2 -25.032 -9.444 -46.365
7 HG2 PRO 2 HG2 PRO 2 -25.661 -12.014 -47.157
8 HG3 PRO 2 HG3 PRO 2 -24.653 -11.579 -45.769
9 HD2 PRO 2 HD2 PRO 2 -27.491 -12.494 -45.820
10 HD3 PRO 2 HD3 PRO 2 -26.251 -12.718 -44.565
11 H THR 3 H THR 3 -28.347 -10.712 -47.168
12 HA THR 3 HA THR 3 -30.621 -8.904 -46.926
13 HB THR 3 HB THR 3 -30.269 -8.953 -49.675
14 HG1 THR 3 HG1 THR 3 -28.180 -9.487 -49.689
15 HG21 THR 3 HG21 THR 3 -31.117 -7.041 -48.510
16 HG22 THR 3 HG22 THR 3 -29.631 -6.521 -49.303
17 HG23 THR 3 HG23 THR 3 -29.631 -6.873 -47.575
18 H THR 4 H THR 4 -29.105 -11.612 -48.634
19 HA THR 4 HA THR 4 -31.578 -13.134 -48.399
20 HB THR 4 HB THR 4 -31.672 -11.840 -50.592
21 HG1 THR 4 HG1 THR 4 -32.084 -14.450 -50.056
22 HG21 THR 4 HG21 THR 4 -29.070 -12.526 -50.845
23 HG22 THR 4 HG22 THR 4 -30.105 -12.160 -52.226
24 HG23 THR 4 HG23 THR 4 -29.814 -13.836 -51.762
25 H THR 5 H THR 5 -30.690 -15.073 -50.386
26 HA THR 5 HA THR 5 -28.102 -16.011 -49.423
27 HB THR 5 HB THR 5 -29.152 -18.278 -48.876
28 HG21 THR 5 HG21 THR 5 -30.217 -16.261 -46.954
29 HG22 THR 5 HG22 THR 5 -28.484 -16.232 -47.282
30 HG23 THR 5 HG23 THR 5 -29.237 -17.695 -46.648
31 HA PRO 6 HA PRO 6 -27.421 -17.648 -53.411
32 HB2 PRO 6 HB2 PRO 6 -27.063 -20.391 -52.610
33 HB3 PRO 6 HB3 PRO 6 -25.820 -19.198 -53.020
34 HG2 PRO 6 HG2 PRO 6 -26.740 -20.102 -50.400
35 HG3 PRO 6 HG3 PRO 6 -25.243 -19.271 -50.848
36 HD2 PRO 6 HD2 PRO 6 -27.259 -18.067 -49.436
37 HD3 PRO 6 HD3 PRO 6 -26.148 -17.173 -50.499
38 H LEU 7 H LEU 7 -29.320 -17.581 -54.543
39 HA LEU 7 HA LEU 7 -31.583 -19.226 -53.931
40 HB2 LEU 7 HB2 LEU 7 -32.569 -18.280 -55.931
41 HB3 LEU 7 HB3 LEU 7 -31.732 -16.999 -55.054
42 HG LEU 7 HG LEU 7 -29.745 -18.026 -56.686
43 HD11 LEU 7 HD11 LEU 7 -31.424 -19.364 -57.908
44 HD12 LEU 7 HD12 LEU 7 -30.745 -18.105 -58.939
45 HD13 LEU 7 HD13 LEU 7 -32.350 -17.899 -58.237
46 HD21 LEU 7 HD21 LEU 7 -31.653 -15.719 -57.193
47 HD22 LEU 7 HD22 LEU 7 -30.083 -15.922 -57.971
48 HD23 LEU 7 HD23 LEU 7 -30.177 -15.651 -56.230
49 H LYS 8 H LYS 8 -32.581 -20.531 -55.837
50 HA LYS 8 HA LYS 8 -30.711 -21.920 -57.538
51 HB2 LYS 8 HB2 LYS 8 -30.212 -23.116 -55.504
52 HB3 LYS 8 HB3 LYS 8 -31.929 -23.334 -55.157
53 HG2 LYS 8 HG2 LYS 8 -32.195 -24.960 -56.780
54 HG3 LYS 8 HG3 LYS 8 -30.890 -24.323 -57.781
55 HD2 LYS 8 HD2 LYS 8 -30.248 -26.469 -56.729
56 HD3 LYS 8 HD3 LYS 8 -29.229 -25.146 -56.160
57 HE2 LYS 8 HE2 LYS 8 -30.083 -26.692 -54.339
58 HE3 LYS 8 HE3 LYS 8 -30.450 -24.984 -54.097
59 HZ1 LYS 8 HZ1 LYS 8 -32.391 -26.583 -55.580
60 HZ2 LYS 8 HZ2 LYS 8 -32.642 -25.296 -54.500
61 HZ3 LYS 8 HZ3 LYS 8 -32.286 -26.849 -53.908
62 HN1 NH2 9 HN1 NH2 9 -33.035 -21.026 -59.076
63 HN2 NH2 9 HN2 NH2 9 -32.824 -22.629 -59.592
64 H1 A2G 10 H1 A2G 10 -30.717 -18.726 -50.482
65 H2 A2G 10 H2 A2G 10 -32.991 -19.682 -50.378
66 HN2 A2G 10 HN2 A2G 10 -32.987 -16.723 -50.497
67 H3 A2G 10 H3 A2G 10 -33.468 -17.672 -48.162
68 HO3 A2G 10 HO3 A2G 10 -35.073 -19.854 -48.931
69 H4 A2G 10 H4 A2G 10 -33.516 -19.544 -46.636
70 HO4 A2G 10 HO4 A2G 10 -33.789 -20.912 -48.938
71 H5 A2G 10 H5 A2G 10 -31.287 -18.594 -47.102
72 H6 A2G 10 H6 A2G 10 -31.360 -21.616 -46.834
73 H8 A2G 10 H8 A2G 10 -33.659 -16.740 -53.781
74 H8A A2G 10 H8A A2G 10 -35.151 -16.583 -52.852
75 H8B A2G 10 H8B A2G 10 -33.685 -15.767 -52.310
76 H14 A2G 10 H14 A2G 10 -29.929 -20.631 -46.527
77 H15 A2G 10 H15 A2G 10 -32.424 -20.516 -45.191
Start of MODEL 44
1 H1 ACE 1 H1 ACE 1 -28.825 -8.939 -49.535
2 H2 ACE 1 H2 ACE 1 -27.326 -9.526 -50.256
3 H3 ACE 1 H3 ACE 1 -27.514 -7.812 -49.883
4 HA PRO 2 HA PRO 2 -25.817 -7.989 -45.852
5 HB2 PRO 2 HB2 PRO 2 -28.227 -7.585 -44.327
6 HB3 PRO 2 HB3 PRO 2 -26.964 -6.406 -44.711
7 HG2 PRO 2 HG2 PRO 2 -29.579 -6.805 -45.949
8 HG3 PRO 2 HG3 PRO 2 -28.505 -5.400 -46.003
9 HD2 PRO 2 HD2 PRO 2 -28.942 -7.031 -48.159
10 HD3 PRO 2 HD3 PRO 2 -27.431 -6.126 -47.915
11 H THR 3 H THR 3 -28.926 -9.681 -46.142
12 HA THR 3 HA THR 3 -27.748 -12.062 -44.942
13 HB THR 3 HB THR 3 -28.548 -11.115 -42.931
14 HG1 THR 3 HG1 THR 3 -29.784 -12.734 -42.413
15 HG21 THR 3 HG21 THR 3 -31.168 -10.438 -43.092
16 HG22 THR 3 HG22 THR 3 -30.637 -10.016 -44.720
17 HG23 THR 3 HG23 THR 3 -29.855 -9.285 -43.320
18 H THR 4 H THR 4 -28.076 -12.746 -47.163
19 HA THR 4 HA THR 4 -30.726 -13.912 -47.524
20 HB THR 4 HB THR 4 -30.202 -12.998 -50.081
21 HG1 THR 4 HG1 THR 4 -29.941 -10.716 -49.675
22 HG21 THR 4 HG21 THR 4 -31.964 -11.859 -47.895
23 HG22 THR 4 HG22 THR 4 -32.403 -13.098 -49.071
24 HG23 THR 4 HG23 THR 4 -32.112 -11.441 -49.602
25 H THR 5 H THR 5 -30.610 -15.110 -49.834
26 HA THR 5 HA THR 5 -27.964 -16.288 -50.255
27 HB THR 5 HB THR 5 -28.876 -18.590 -50.047
28 HG21 THR 5 HG21 THR 5 -27.870 -17.101 -48.095
29 HG22 THR 5 HG22 THR 5 -28.550 -18.691 -47.752
30 HG23 THR 5 HG23 THR 5 -29.505 -17.239 -47.450
31 HA PRO 6 HA PRO 6 -29.320 -16.532 -54.406
32 HB2 PRO 6 HB2 PRO 6 -28.049 -19.053 -54.986
33 HB3 PRO 6 HB3 PRO 6 -27.451 -17.421 -55.323
34 HG2 PRO 6 HG2 PRO 6 -26.365 -19.183 -53.493
35 HG3 PRO 6 HG3 PRO 6 -26.095 -17.434 -53.528
36 HD2 PRO 6 HD2 PRO 6 -27.863 -19.029 -51.733
37 HD3 PRO 6 HD3 PRO 6 -27.014 -17.499 -51.418
38 H LEU 7 H LEU 7 -30.773 -17.512 -55.872
39 HA LEU 7 HA LEU 7 -32.804 -19.131 -54.672
40 HB2 LEU 7 HB2 LEU 7 -32.890 -17.357 -56.650
41 HB3 LEU 7 HB3 LEU 7 -32.647 -18.801 -57.633
42 HG LEU 7 HG LEU 7 -34.830 -18.434 -55.560
43 HD11 LEU 7 HD11 LEU 7 -35.505 -17.132 -57.390
44 HD12 LEU 7 HD12 LEU 7 -36.221 -18.702 -57.758
45 HD13 LEU 7 HD13 LEU 7 -34.732 -18.203 -58.560
46 HD21 LEU 7 HD21 LEU 7 -35.647 -20.569 -56.834
47 HD22 LEU 7 HD22 LEU 7 -34.396 -20.743 -55.605
48 HD23 LEU 7 HD23 LEU 7 -33.957 -20.724 -57.313
49 H LYS 8 H LYS 8 -32.687 -21.255 -54.382
50 HA LYS 8 HA LYS 8 -31.883 -23.013 -56.523
51 HB2 LYS 8 HB2 LYS 8 -29.902 -22.191 -54.664
52 HB3 LYS 8 HB3 LYS 8 -30.310 -23.866 -54.287
53 HG2 LYS 8 HG2 LYS 8 -29.952 -24.501 -56.633
54 HG3 LYS 8 HG3 LYS 8 -29.586 -22.825 -57.042
55 HD2 LYS 8 HD2 LYS 8 -28.027 -24.061 -54.819
56 HD3 LYS 8 HD3 LYS 8 -27.653 -24.586 -56.461
57 HE2 LYS 8 HE2 LYS 8 -27.886 -21.655 -55.810
58 HE3 LYS 8 HE3 LYS 8 -26.382 -22.524 -55.505
59 HZ1 LYS 8 HZ1 LYS 8 -25.900 -22.270 -57.637
60 HZ2 LYS 8 HZ2 LYS 8 -27.418 -21.577 -57.957
61 HZ3 LYS 8 HZ3 LYS 8 -27.216 -23.262 -58.036
62 HN1 NH2 9 HN1 NH2 9 -34.169 -23.812 -53.373
63 HN2 NH2 9 HN2 NH2 9 -34.201 -22.514 -54.466
64 H1 A2G 10 H1 A2G 10 -30.642 -19.079 -51.150
65 H2 A2G 10 H2 A2G 10 -32.872 -20.078 -50.793
66 HN2 A2G 10 HN2 A2G 10 -32.947 -17.121 -50.649
67 H3 A2G 10 H3 A2G 10 -33.031 -18.253 -48.381
68 HO3 A2G 10 HO3 A2G 10 -34.727 -20.172 -49.574
69 H4 A2G 10 H4 A2G 10 -32.845 -20.237 -47.015
70 HO4 A2G 10 HO4 A2G 10 -33.803 -21.492 -48.929
71 H5 A2G 10 H5 A2G 10 -30.713 -19.218 -47.723
72 H6 A2G 10 H6 A2G 10 -30.889 -22.220 -47.505
73 H8 A2G 10 H8 A2G 10 -34.165 -16.961 -53.873
74 H8A A2G 10 H8A A2G 10 -35.314 -16.766 -52.549
75 H8B A2G 10 H8B A2G 10 -33.707 -16.047 -52.437
76 H14 A2G 10 H14 A2G 10 -29.326 -21.425 -47.693
77 H15 A2G 10 H15 A2G 10 -31.081 -20.398 -45.794
Start of MODEL 45
1 H1 ACE 1 H1 ACE 1 -29.770 -14.878 -44.859
2 H2 ACE 1 H2 ACE 1 -28.378 -14.546 -43.829
3 H3 ACE 1 H3 ACE 1 -28.235 -14.396 -45.580
4 HA PRO 2 HA PRO 2 -29.245 -10.307 -43.173
5 HB2 PRO 2 HB2 PRO 2 -27.110 -9.165 -44.735
6 HB3 PRO 2 HB3 PRO 2 -27.197 -9.361 -42.978
7 HG2 PRO 2 HG2 PRO 2 -25.795 -10.978 -44.964
8 HG3 PRO 2 HG3 PRO 2 -25.553 -10.878 -43.214
9 HD2 PRO 2 HD2 PRO 2 -26.644 -13.065 -44.452
10 HD3 PRO 2 HD3 PRO 2 -27.030 -12.602 -42.779
11 H THR 3 H THR 3 -27.802 -10.231 -46.437
12 HA THR 3 HA THR 3 -30.024 -8.598 -47.389
13 HB THR 3 HB THR 3 -28.339 -9.150 -49.544
14 HG1 THR 3 HG1 THR 3 -26.291 -8.857 -48.673
15 HG21 THR 3 HG21 THR 3 -27.585 -6.827 -49.176
16 HG22 THR 3 HG22 THR 3 -28.268 -6.868 -47.550
17 HG23 THR 3 HG23 THR 3 -29.328 -6.977 -48.956
18 H THR 4 H THR 4 -28.326 -11.457 -48.699
19 HA THR 4 HA THR 4 -30.883 -12.753 -49.239
20 HB THR 4 HB THR 4 -29.285 -12.915 -51.634
21 HG1 THR 4 HG1 THR 4 -28.995 -10.875 -52.092
22 HG21 THR 4 HG21 THR 4 -32.026 -11.758 -51.056
23 HG22 THR 4 HG22 THR 4 -31.686 -13.444 -51.444
24 HG23 THR 4 HG23 THR 4 -31.408 -12.189 -52.651
25 H THR 5 H THR 5 -30.089 -14.793 -50.830
26 HA THR 5 HA THR 5 -27.655 -15.963 -49.709
27 HB THR 5 HB THR 5 -28.930 -18.056 -49.098
28 HG21 THR 5 HG21 THR 5 -30.055 -15.829 -47.455
29 HG22 THR 5 HG22 THR 5 -28.300 -15.963 -47.567
30 HG23 THR 5 HG23 THR 5 -29.249 -17.309 -46.935
31 HA PRO 6 HA PRO 6 -26.940 -17.795 -53.606
32 HB2 PRO 6 HB2 PRO 6 -26.898 -20.529 -52.698
33 HB3 PRO 6 HB3 PRO 6 -25.523 -19.481 -53.078
34 HG2 PRO 6 HG2 PRO 6 -26.660 -20.191 -50.484
35 HG3 PRO 6 HG3 PRO 6 -25.068 -19.527 -50.877
36 HD2 PRO 6 HD2 PRO 6 -27.024 -18.080 -49.616
37 HD3 PRO 6 HD3 PRO 6 -25.775 -17.340 -50.643
38 H LEU 7 H LEU 7 -28.438 -18.032 -55.155
39 HA LEU 7 HA LEU 7 -31.080 -18.985 -54.602
40 HB2 LEU 7 HB2 LEU 7 -30.772 -17.273 -56.278
41 HB3 LEU 7 HB3 LEU 7 -29.681 -18.310 -57.198
42 HG LEU 7 HG LEU 7 -32.290 -19.544 -56.619
43 HD11 LEU 7 HD11 LEU 7 -32.110 -17.128 -58.446
44 HD12 LEU 7 HD12 LEU 7 -33.019 -17.211 -56.937
45 HD13 LEU 7 HD13 LEU 7 -33.499 -18.206 -58.312
46 HD21 LEU 7 HD21 LEU 7 -30.381 -20.293 -58.195
47 HD22 LEU 7 HD22 LEU 7 -30.966 -19.038 -59.288
48 HD23 LEU 7 HD23 LEU 7 -32.025 -20.371 -58.828
49 H LYS 8 H LYS 8 -31.983 -20.942 -54.973
50 HA LYS 8 HA LYS 8 -30.224 -23.184 -55.431
51 HB2 LYS 8 HB2 LYS 8 -33.133 -23.657 -55.474
52 HB3 LYS 8 HB3 LYS 8 -31.877 -24.428 -54.505
53 HG2 LYS 8 HG2 LYS 8 -31.753 -22.223 -53.198
54 HG3 LYS 8 HG3 LYS 8 -33.264 -21.791 -54.000
55 HD2 LYS 8 HD2 LYS 8 -32.815 -24.277 -52.319
56 HD3 LYS 8 HD3 LYS 8 -33.691 -22.835 -51.801
57 HE2 LYS 8 HE2 LYS 8 -35.151 -23.210 -53.906
58 HE3 LYS 8 HE3 LYS 8 -34.459 -24.832 -53.927
59 HZ1 LYS 8 HZ1 LYS 8 -36.610 -24.043 -52.470
60 HZ2 LYS 8 HZ2 LYS 8 -35.354 -24.029 -51.326
61 HZ3 LYS 8 HZ3 LYS 8 -35.696 -25.446 -52.200
62 HN1 NH2 9 HN1 NH2 9 -32.676 -22.025 -58.387
63 HN2 NH2 9 HN2 NH2 9 -33.421 -23.152 -57.360
64 H1 A2G 10 H1 A2G 10 -30.338 -18.554 -50.816
65 H2 A2G 10 H2 A2G 10 -32.669 -19.365 -50.901
66 HN2 A2G 10 HN2 A2G 10 -32.410 -16.438 -51.271
67 H3 A2G 10 H3 A2G 10 -33.252 -17.143 -48.925
68 HO3 A2G 10 HO3 A2G 10 -34.745 -19.058 -50.333
69 H4 A2G 10 H4 A2G 10 -33.595 -18.868 -47.268
70 HO4 A2G 10 HO4 A2G 10 -34.124 -20.748 -47.990
71 H5 A2G 10 H5 A2G 10 -31.269 -18.094 -47.547
72 H6 A2G 10 H6 A2G 10 -32.058 -20.716 -46.565
73 H8 A2G 10 H8 A2G 10 -33.382 -16.905 -54.668
74 H8A A2G 10 H8A A2G 10 -34.012 -15.852 -53.401
75 H8B A2G 10 H8B A2G 10 -32.273 -15.966 -53.671
76 H14 A2G 10 H14 A2G 10 -30.379 -20.721 -47.104
77 H15 A2G 10 H15 A2G 10 -30.925 -18.465 -45.753
Start of MODEL 46
1 H1 ACE 1 H1 ACE 1 -31.171 -6.331 -45.350
2 H2 ACE 1 H2 ACE 1 -29.758 -6.564 -44.320
3 H3 ACE 1 H3 ACE 1 -31.345 -7.113 -43.779
4 HA PRO 2 HA PRO 2 -31.045 -11.177 -45.376
5 HB2 PRO 2 HB2 PRO 2 -32.925 -10.956 -47.546
6 HB3 PRO 2 HB3 PRO 2 -33.170 -11.692 -45.956
7 HG2 PRO 2 HG2 PRO 2 -33.989 -9.067 -46.937
8 HG3 PRO 2 HG3 PRO 2 -34.582 -9.990 -45.548
9 HD2 PRO 2 HD2 PRO 2 -33.063 -7.724 -45.301
10 HD3 PRO 2 HD3 PRO 2 -33.064 -9.030 -44.094
11 H THR 3 H THR 3 -29.380 -11.926 -46.547
12 HA THR 3 HA THR 3 -28.475 -10.460 -48.901
13 HB THR 3 HB THR 3 -27.230 -12.939 -47.715
14 HG1 THR 3 HG1 THR 3 -26.889 -10.215 -47.005
15 HG21 THR 3 HG21 THR 3 -26.654 -11.532 -49.996
16 HG22 THR 3 HG22 THR 3 -25.483 -12.490 -49.089
17 HG23 THR 3 HG23 THR 3 -25.598 -10.751 -48.819
18 H THR 4 H THR 4 -27.349 -13.397 -49.481
19 HA THR 4 HA THR 4 -29.694 -14.550 -50.777
20 HB THR 4 HB THR 4 -27.888 -14.641 -52.855
21 HG1 THR 4 HG1 THR 4 -27.000 -12.789 -51.326
22 HG21 THR 4 HG21 THR 4 -30.186 -12.771 -52.252
23 HG22 THR 4 HG22 THR 4 -30.220 -14.257 -53.202
24 HG23 THR 4 HG23 THR 4 -29.394 -12.829 -53.827
25 H THR 5 H THR 5 -29.394 -16.722 -51.412
26 HA THR 5 HA THR 5 -26.814 -17.983 -50.879
27 HB THR 5 HB THR 5 -28.293 -19.745 -49.514
28 HG21 THR 5 HG21 THR 5 -27.432 -18.739 -47.482
29 HG22 THR 5 HG22 THR 5 -27.281 -17.171 -48.276
30 HG23 THR 5 HG23 THR 5 -26.238 -18.509 -48.760
31 HA PRO 6 HA PRO 6 -27.616 -20.712 -54.181
32 HB2 PRO 6 HB2 PRO 6 -27.576 -23.163 -52.669
33 HB3 PRO 6 HB3 PRO 6 -26.296 -22.484 -53.684
34 HG2 PRO 6 HG2 PRO 6 -26.594 -22.430 -50.780
35 HG3 PRO 6 HG3 PRO 6 -25.155 -22.162 -51.774
36 HD2 PRO 6 HD2 PRO 6 -26.421 -20.156 -50.403
37 HD3 PRO 6 HD3 PRO 6 -25.505 -19.882 -51.903
38 H LEU 7 H LEU 7 -29.900 -19.705 -53.863
39 HA LEU 7 HA LEU 7 -31.811 -21.810 -54.141
40 HB2 LEU 7 HB2 LEU 7 -31.382 -21.172 -51.519
41 HB3 LEU 7 HB3 LEU 7 -32.703 -20.079 -51.932
42 HG LEU 7 HG LEU 7 -32.713 -23.057 -52.500
43 HD11 LEU 7 HD11 LEU 7 -33.786 -21.413 -50.210
44 HD12 LEU 7 HD12 LEU 7 -32.852 -22.909 -50.149
45 HD13 LEU 7 HD13 LEU 7 -34.540 -22.942 -50.661
46 HD21 LEU 7 HD21 LEU 7 -34.825 -20.885 -52.688
47 HD22 LEU 7 HD22 LEU 7 -35.158 -22.609 -52.857
48 HD23 LEU 7 HD23 LEU 7 -34.124 -21.793 -54.029
49 H LYS 8 H LYS 8 -30.771 -19.349 -55.452
50 HA LYS 8 HA LYS 8 -32.931 -17.435 -55.408
51 HB2 LYS 8 HB2 LYS 8 -30.457 -17.761 -57.104
52 HB3 LYS 8 HB3 LYS 8 -31.658 -16.508 -57.425
53 HG2 LYS 8 HG2 LYS 8 -31.020 -15.270 -55.634
54 HG3 LYS 8 HG3 LYS 8 -30.852 -16.689 -54.600
55 HD2 LYS 8 HD2 LYS 8 -28.858 -16.089 -56.785
56 HD3 LYS 8 HD3 LYS 8 -28.696 -15.392 -55.173
57 HE2 LYS 8 HE2 LYS 8 -28.055 -17.367 -54.253
58 HE3 LYS 8 HE3 LYS 8 -29.247 -18.285 -55.175
59 HZ1 LYS 8 HZ1 LYS 8 -26.544 -18.176 -55.640
60 HZ2 LYS 8 HZ2 LYS 8 -27.224 -17.212 -56.863
61 HZ3 LYS 8 HZ3 LYS 8 -27.723 -18.824 -56.672
62 HN1 NH2 9 HN1 NH2 9 -33.826 -20.178 -56.159
63 HN2 NH2 9 HN2 NH2 9 -34.762 -19.759 -57.511
64 H1 A2G 10 H1 A2G 10 -30.361 -19.495 -50.388
65 H2 A2G 10 H2 A2G 10 -32.641 -19.203 -49.484
66 HN2 A2G 10 HN2 A2G 10 -31.319 -16.660 -50.228
67 H3 A2G 10 H3 A2G 10 -31.391 -17.115 -47.679
68 HO3 A2G 10 HO3 A2G 10 -33.908 -17.767 -48.460
69 H4 A2G 10 H4 A2G 10 -31.762 -18.646 -45.848
70 HO4 A2G 10 HO4 A2G 10 -32.620 -20.578 -47.716
71 H5 A2G 10 H5 A2G 10 -29.645 -18.940 -47.080
72 H6 A2G 10 H6 A2G 10 -30.974 -21.521 -46.198
73 H8 A2G 10 H8 A2G 10 -33.066 -16.417 -53.053
74 H8A A2G 10 H8A A2G 10 -33.908 -15.527 -51.784
75 H8B A2G 10 H8B A2G 10 -32.146 -15.505 -51.855
76 H14 A2G 10 H14 A2G 10 -29.243 -21.347 -46.485
77 H15 A2G 10 H15 A2G 10 -29.059 -20.055 -44.773
Start of MODEL 47
1 H1 ACE 1 H1 ACE 1 -27.132 -12.353 -42.765
2 H2 ACE 1 H2 ACE 1 -28.452 -12.979 -43.752
3 H3 ACE 1 H3 ACE 1 -28.803 -12.106 -42.261
4 HA PRO 2 HA PRO 2 -26.737 -8.622 -45.018
5 HB2 PRO 2 HB2 PRO 2 -26.659 -9.711 -47.684
6 HB3 PRO 2 HB3 PRO 2 -25.306 -9.151 -46.691
7 HG2 PRO 2 HG2 PRO 2 -26.240 -11.870 -47.200
8 HG3 PRO 2 HG3 PRO 2 -24.675 -11.306 -46.596
9 HD2 PRO 2 HD2 PRO 2 -26.499 -12.615 -45.028
10 HD3 PRO 2 HD3 PRO 2 -25.330 -11.440 -44.384
11 H THR 3 H THR 3 -28.518 -10.638 -47.361
12 HA THR 3 HA THR 3 -30.936 -9.051 -46.995
13 HB THR 3 HB THR 3 -30.086 -7.617 -48.607
14 HG1 THR 3 HG1 THR 3 -31.123 -9.715 -50.203
15 HG21 THR 3 HG21 THR 3 -28.586 -10.045 -49.490
16 HG22 THR 3 HG22 THR 3 -27.999 -8.407 -49.198
17 HG23 THR 3 HG23 THR 3 -28.882 -8.777 -50.680
18 H THR 4 H THR 4 -29.234 -11.614 -48.733
19 HA THR 4 HA THR 4 -31.579 -13.329 -48.487
20 HB THR 4 HB THR 4 -31.731 -12.036 -50.700
21 HG1 THR 4 HG1 THR 4 -32.951 -13.787 -50.687
22 HG21 THR 4 HG21 THR 4 -30.177 -12.375 -52.356
23 HG22 THR 4 HG22 THR 4 -29.781 -14.000 -51.797
24 HG23 THR 4 HG23 THR 4 -29.118 -12.595 -50.963
25 H THR 5 H THR 5 -30.612 -15.269 -50.362
26 HA THR 5 HA THR 5 -27.913 -15.953 -49.492
27 HB THR 5 HB THR 5 -28.779 -18.271 -48.786
28 HG21 THR 5 HG21 THR 5 -28.110 -16.113 -47.344
29 HG22 THR 5 HG22 THR 5 -28.736 -17.576 -46.584
30 HG23 THR 5 HG23 THR 5 -29.808 -16.210 -46.882
31 HA PRO 6 HA PRO 6 -27.283 -17.736 -53.436
32 HB2 PRO 6 HB2 PRO 6 -26.763 -20.424 -52.528
33 HB3 PRO 6 HB3 PRO 6 -25.596 -19.198 -53.049
34 HG2 PRO 6 HG2 PRO 6 -26.385 -19.996 -50.346
35 HG3 PRO 6 HG3 PRO 6 -24.930 -19.153 -50.898
36 HD2 PRO 6 HD2 PRO 6 -26.889 -17.906 -49.476
37 HD3 PRO 6 HD3 PRO 6 -25.897 -17.054 -50.681
38 H LEU 7 H LEU 7 -29.360 -17.674 -54.302
39 HA LEU 7 HA LEU 7 -31.407 -19.551 -53.600
40 HB2 LEU 7 HB2 LEU 7 -32.729 -18.482 -55.228
41 HB3 LEU 7 HB3 LEU 7 -31.679 -17.199 -54.625
42 HG LEU 7 HG LEU 7 -31.263 -18.823 -57.152
43 HD11 LEU 7 HD11 LEU 7 -31.875 -16.904 -58.337
44 HD12 LEU 7 HD12 LEU 7 -31.543 -15.835 -56.974
45 HD13 LEU 7 HD13 LEU 7 -32.986 -16.847 -56.968
46 HD21 LEU 7 HD21 LEU 7 -29.553 -16.775 -55.727
47 HD22 LEU 7 HD22 LEU 7 -29.368 -17.110 -57.448
48 HD23 LEU 7 HD23 LEU 7 -29.093 -18.390 -56.266
49 H LYS 8 H LYS 8 -32.494 -20.574 -55.780
50 HA LYS 8 HA LYS 8 -30.664 -22.682 -56.514
51 HB2 LYS 8 HB2 LYS 8 -33.487 -22.150 -57.471
52 HB3 LYS 8 HB3 LYS 8 -32.582 -23.652 -57.669
53 HG2 LYS 8 HG2 LYS 8 -32.334 -23.459 -55.034
54 HG3 LYS 8 HG3 LYS 8 -33.794 -22.482 -55.194
55 HD2 LYS 8 HD2 LYS 8 -34.747 -24.581 -54.983
56 HD3 LYS 8 HD3 LYS 8 -34.562 -24.509 -56.736
57 HE2 LYS 8 HE2 LYS 8 -33.633 -26.603 -56.169
58 HE3 LYS 8 HE3 LYS 8 -32.224 -25.552 -56.323
59 HZ1 LYS 8 HZ1 LYS 8 -33.066 -25.265 -53.725
60 HZ2 LYS 8 HZ2 LYS 8 -31.712 -26.140 -54.264
61 HZ3 LYS 8 HZ3 LYS 8 -33.200 -26.928 -54.034
62 HN1 NH2 9 HN1 NH2 9 -32.001 -21.089 -59.925
63 HN2 NH2 9 HN2 NH2 9 -32.286 -20.053 -58.610
64 H1 A2G 10 H1 A2G 10 -30.469 -18.830 -50.303
65 H2 A2G 10 H2 A2G 10 -32.688 -19.881 -49.974
66 HN2 A2G 10 HN2 A2G 10 -32.780 -16.930 -50.197
67 H3 A2G 10 H3 A2G 10 -33.035 -17.821 -47.780
68 HO3 A2G 10 HO3 A2G 10 -34.629 -20.063 -48.419
69 H4 A2G 10 H4 A2G 10 -32.877 -19.643 -46.207
70 HO4 A2G 10 HO4 A2G 10 -32.875 -21.169 -48.561
71 H5 A2G 10 H5 A2G 10 -30.734 -18.654 -46.913
72 H6 A2G 10 H6 A2G 10 -30.592 -21.674 -46.626
73 H8 A2G 10 H8 A2G 10 -33.641 -17.055 -53.363
74 H8A A2G 10 H8A A2G 10 -35.154 -16.976 -52.458
75 H8B A2G 10 H8B A2G 10 -33.751 -16.056 -51.914
76 H14 A2G 10 H14 A2G 10 -29.265 -20.550 -46.323
77 H15 A2G 10 H15 A2G 10 -31.152 -19.581 -44.914
Start of MODEL 48
1 H1 ACE 1 H1 ACE 1 -33.058 -8.907 -47.306
2 H2 ACE 1 H2 ACE 1 -32.667 -7.239 -46.889
3 H3 ACE 1 H3 ACE 1 -32.435 -8.522 -45.702
4 HA PRO 2 HA PRO 2 -28.531 -7.320 -48.315
5 HB2 PRO 2 HB2 PRO 2 -27.172 -7.250 -45.776
6 HB3 PRO 2 HB3 PRO 2 -27.445 -5.918 -46.908
7 HG2 PRO 2 HG2 PRO 2 -28.873 -6.593 -44.453
8 HG3 PRO 2 HG3 PRO 2 -28.824 -5.069 -45.348
9 HD2 PRO 2 HD2 PRO 2 -31.035 -6.682 -45.261
10 HD3 PRO 2 HD3 PRO 2 -30.669 -5.609 -46.631
11 H THR 3 H THR 3 -28.924 -9.297 -45.374
12 HA THR 3 HA THR 3 -26.942 -11.218 -46.317
13 HB THR 3 HB THR 3 -27.643 -12.392 -44.131
14 HG1 THR 3 HG1 THR 3 -28.684 -9.835 -43.558
15 HG21 THR 3 HG21 THR 3 -26.464 -9.601 -44.066
16 HG22 THR 3 HG22 THR 3 -25.574 -11.091 -44.378
17 HG23 THR 3 HG23 THR 3 -26.294 -10.810 -42.793
18 H THR 4 H THR 4 -27.454 -12.903 -47.546
19 HA THR 4 HA THR 4 -29.987 -14.295 -47.169
20 HB THR 4 HB THR 4 -30.407 -12.462 -48.862
21 HG1 THR 4 HG1 THR 4 -31.709 -13.799 -49.871
22 HG21 THR 4 HG21 THR 4 -28.991 -14.043 -50.925
23 HG22 THR 4 HG22 THR 4 -27.954 -13.127 -49.830
24 HG23 THR 4 HG23 THR 4 -29.186 -12.296 -50.780
25 H THR 5 H THR 5 -29.739 -15.658 -49.730
26 HA THR 5 HA THR 5 -27.131 -16.961 -49.650
27 HB THR 5 HB THR 5 -28.255 -19.230 -49.451
28 HG21 THR 5 HG21 THR 5 -27.999 -19.234 -47.136
29 HG22 THR 5 HG22 THR 5 -28.748 -17.649 -46.950
30 HG23 THR 5 HG23 THR 5 -27.104 -17.779 -47.574
31 HA PRO 6 HA PRO 6 -27.466 -17.485 -53.970
32 HB2 PRO 6 HB2 PRO 6 -27.272 -20.358 -53.995
33 HB3 PRO 6 HB3 PRO 6 -26.010 -19.173 -54.358
34 HG2 PRO 6 HG2 PRO 6 -26.477 -20.704 -51.917
35 HG3 PRO 6 HG3 PRO 6 -25.017 -19.869 -52.465
36 HD2 PRO 6 HD2 PRO 6 -26.551 -18.984 -50.376
37 HD3 PRO 6 HD3 PRO 6 -25.582 -17.899 -51.399
38 H LEU 7 H LEU 7 -29.363 -17.229 -54.991
39 HA LEU 7 HA LEU 7 -31.768 -18.539 -54.159
40 HB2 LEU 7 HB2 LEU 7 -31.922 -16.324 -55.091
41 HB3 LEU 7 HB3 LEU 7 -31.115 -16.839 -56.573
42 HG LEU 7 HG LEU 7 -33.486 -18.443 -55.882
43 HD11 LEU 7 HD11 LEU 7 -34.497 -16.433 -55.159
44 HD12 LEU 7 HD12 LEU 7 -34.968 -16.555 -56.854
45 HD13 LEU 7 HD13 LEU 7 -33.660 -15.472 -56.378
46 HD21 LEU 7 HD21 LEU 7 -33.800 -18.404 -58.229
47 HD22 LEU 7 HD22 LEU 7 -32.046 -18.377 -58.038
48 HD23 LEU 7 HD23 LEU 7 -32.916 -16.889 -58.408
49 H LYS 8 H LYS 8 -32.807 -20.274 -55.012
50 HA LYS 8 HA LYS 8 -31.278 -22.062 -56.684
51 HB2 LYS 8 HB2 LYS 8 -32.938 -22.613 -54.724
52 HB3 LYS 8 HB3 LYS 8 -34.159 -22.517 -55.994
53 HG2 LYS 8 HG2 LYS 8 -33.578 -24.759 -56.145
54 HG3 LYS 8 HG3 LYS 8 -32.448 -24.058 -57.304
55 HD2 LYS 8 HD2 LYS 8 -30.968 -25.297 -56.032
56 HD3 LYS 8 HD3 LYS 8 -30.941 -23.785 -55.123
57 HE2 LYS 8 HE2 LYS 8 -31.258 -25.626 -53.564
58 HE3 LYS 8 HE3 LYS 8 -32.753 -24.695 -53.654
59 HZ1 LYS 8 HZ1 LYS 8 -33.656 -26.702 -54.016
60 HZ2 LYS 8 HZ2 LYS 8 -32.196 -27.398 -54.538
61 HZ3 LYS 8 HZ3 LYS 8 -33.127 -26.466 -55.611
62 HN1 NH2 9 HN1 NH2 9 -34.845 -21.731 -57.809
63 HN2 NH2 9 HN2 NH2 9 -34.435 -20.115 -58.130
64 H1 A2G 10 H1 A2G 10 -30.071 -19.192 -50.793
65 H2 A2G 10 H2 A2G 10 -32.396 -19.996 -50.578
66 HN2 A2G 10 HN2 A2G 10 -32.069 -17.116 -49.972
67 H3 A2G 10 H3 A2G 10 -32.362 -18.617 -47.881
68 HO3 A2G 10 HO3 A2G 10 -34.266 -20.384 -48.990
69 H4 A2G 10 H4 A2G 10 -32.393 -20.820 -46.888
70 HO4 A2G 10 HO4 A2G 10 -32.847 -21.545 -49.525
71 H5 A2G 10 H5 A2G 10 -30.163 -19.924 -47.443
72 H6 A2G 10 H6 A2G 10 -30.816 -22.798 -47.405
73 H8 A2G 10 H8 A2G 10 -33.568 -16.362 -53.037
74 H8A A2G 10 H8A A2G 10 -34.362 -16.018 -51.500
75 H8B A2G 10 H8B A2G 10 -32.631 -15.732 -51.681
76 H14 A2G 10 H14 A2G 10 -29.232 -22.435 -48.088
77 H15 A2G 10 H15 A2G 10 -28.925 -22.584 -45.927
Start of MODEL 49
1 H1 ACE 1 H1 ACE 1 -28.465 -8.686 -45.110
2 H2 ACE 1 H2 ACE 1 -29.692 -7.498 -45.552
3 H3 ACE 1 H3 ACE 1 -28.569 -8.101 -46.771
4 HA PRO 2 HA PRO 2 -32.846 -10.375 -46.514
5 HB2 PRO 2 HB2 PRO 2 -32.903 -10.042 -49.375
6 HB3 PRO 2 HB3 PRO 2 -34.011 -9.366 -48.173
7 HG2 PRO 2 HG2 PRO 2 -31.770 -8.105 -49.555
8 HG3 PRO 2 HG3 PRO 2 -33.135 -7.366 -48.707
9 HD2 PRO 2 HD2 PRO 2 -30.572 -7.321 -47.742
10 HD3 PRO 2 HD3 PRO 2 -32.007 -7.278 -46.692
11 H THR 3 H THR 3 -30.867 -10.537 -49.478
12 HA THR 3 HA THR 3 -30.842 -13.449 -49.309
13 HB THR 3 HB THR 3 -30.054 -11.441 -51.403
14 HG1 THR 3 HG1 THR 3 -31.904 -12.078 -52.114
15 HG21 THR 3 HG21 THR 3 -29.463 -13.635 -52.717
16 HG22 THR 3 HG22 THR 3 -29.166 -14.294 -51.109
17 HG23 THR 3 HG23 THR 3 -28.250 -12.896 -51.672
18 H THR 4 H THR 4 -29.129 -14.664 -48.743
19 HA THR 4 HA THR 4 -26.448 -13.517 -48.675
20 HB THR 4 HB THR 4 -27.755 -13.109 -46.431
21 HG1 THR 4 HG1 THR 4 -25.359 -13.114 -47.030
22 HG21 THR 4 HG21 THR 4 -27.870 -14.907 -44.935
23 HG22 THR 4 HG22 THR 4 -26.707 -15.867 -45.851
24 HG23 THR 4 HG23 THR 4 -28.348 -15.651 -46.461
25 H THR 5 H THR 5 -28.278 -15.861 -49.711
26 HA THR 5 HA THR 5 -26.137 -17.839 -49.623
27 HB THR 5 HB THR 5 -28.031 -19.593 -49.096
28 HG21 THR 5 HG21 THR 5 -25.934 -18.696 -47.714
29 HG22 THR 5 HG22 THR 5 -27.132 -19.757 -46.974
30 HG23 THR 5 HG23 THR 5 -27.204 -18.016 -46.697
31 HA PRO 6 HA PRO 6 -27.098 -18.836 -53.762
32 HB2 PRO 6 HB2 PRO 6 -27.799 -21.598 -53.332
33 HB3 PRO 6 HB3 PRO 6 -26.282 -20.939 -53.962
34 HG2 PRO 6 HG2 PRO 6 -26.923 -21.897 -51.279
35 HG3 PRO 6 HG3 PRO 6 -25.347 -21.655 -52.046
36 HD2 PRO 6 HD2 PRO 6 -26.294 -20.052 -50.036
37 HD3 PRO 6 HD3 PRO 6 -25.159 -19.483 -51.282
38 H LEU 7 H LEU 7 -29.021 -17.610 -53.944
39 HA LEU 7 HA LEU 7 -31.563 -18.593 -53.064
40 HB2 LEU 7 HB2 LEU 7 -32.482 -16.704 -54.336
41 HB3 LEU 7 HB3 LEU 7 -31.118 -16.186 -53.345
42 HG LEU 7 HG LEU 7 -29.999 -17.034 -55.789
43 HD11 LEU 7 HD11 LEU 7 -31.210 -15.605 -57.416
44 HD12 LEU 7 HD12 LEU 7 -32.430 -15.262 -56.190
45 HD13 LEU 7 HD13 LEU 7 -32.233 -16.904 -56.804
46 HD21 LEU 7 HD21 LEU 7 -29.513 -14.579 -56.016
47 HD22 LEU 7 HD22 LEU 7 -29.134 -15.221 -54.417
48 HD23 LEU 7 HD23 LEU 7 -30.607 -14.282 -54.663
49 H LYS 8 H LYS 8 -33.294 -18.273 -55.112
50 HA LYS 8 HA LYS 8 -32.475 -19.724 -57.467
51 HB2 LYS 8 HB2 LYS 8 -32.749 -21.533 -55.744
52 HB3 LYS 8 HB3 LYS 8 -34.446 -21.068 -55.606
53 HG2 LYS 8 HG2 LYS 8 -34.891 -22.407 -57.358
54 HG3 LYS 8 HG3 LYS 8 -33.953 -21.308 -58.369
55 HD2 LYS 8 HD2 LYS 8 -33.023 -23.532 -58.618
56 HD3 LYS 8 HD3 LYS 8 -31.880 -22.560 -57.689
57 HE2 LYS 8 HE2 LYS 8 -33.675 -23.690 -55.813
58 HE3 LYS 8 HE3 LYS 8 -33.221 -24.991 -56.915
59 HZ1 LYS 8 HZ1 LYS 8 -31.732 -24.075 -54.832
60 HZ2 LYS 8 HZ2 LYS 8 -31.004 -23.333 -56.177
61 HZ3 LYS 8 HZ3 LYS 8 -31.160 -25.025 -56.116
62 HN1 NH2 9 HN1 NH2 9 -35.230 -18.214 -55.613
63 HN2 NH2 9 HN2 NH2 9 -36.370 -18.784 -56.733
64 H1 A2G 10 H1 A2G 10 -30.026 -19.074 -49.753
65 H2 A2G 10 H2 A2G 10 -32.280 -18.792 -48.783
66 HN2 A2G 10 HN2 A2G 10 -30.777 -16.257 -49.066
67 H3 A2G 10 H3 A2G 10 -30.886 -17.165 -46.642
68 HO3 A2G 10 HO3 A2G 10 -33.419 -17.416 -47.517
69 H4 A2G 10 H4 A2G 10 -31.367 -18.976 -45.118
70 HO4 A2G 10 HO4 A2G 10 -32.771 -20.458 -45.594
71 H5 A2G 10 H5 A2G 10 -29.275 -19.188 -46.408
72 H6 A2G 10 H6 A2G 10 -30.870 -21.639 -45.714
73 H8 A2G 10 H8 A2G 10 -32.727 -15.446 -51.807
74 H8A A2G 10 H8A A2G 10 -32.986 -14.572 -50.297
75 H8B A2G 10 H8B A2G 10 -31.349 -14.986 -50.804
76 H14 A2G 10 H14 A2G 10 -29.281 -21.825 -46.456
77 H15 A2G 10 H15 A2G 10 -28.791 -20.108 -44.690
Start of MODEL 50
1 H1 ACE 1 H1 ACE 1 -27.137 -5.913 -46.257
2 H2 ACE 1 H2 ACE 1 -28.212 -5.443 -44.940
3 H3 ACE 1 H3 ACE 1 -28.494 -4.832 -46.570
4 HA PRO 2 HA PRO 2 -31.201 -8.023 -47.847
5 HB2 PRO 2 HB2 PRO 2 -29.463 -9.384 -49.697
6 HB3 PRO 2 HB3 PRO 2 -30.772 -8.249 -50.058
7 HG2 PRO 2 HG2 PRO 2 -27.889 -7.800 -49.976
8 HG3 PRO 2 HG3 PRO 2 -29.161 -6.838 -50.742
9 HD2 PRO 2 HD2 PRO 2 -27.804 -6.016 -48.508
10 HD3 PRO 2 HD3 PRO 2 -29.472 -5.516 -48.873
11 H THR 3 H THR 3 -31.336 -10.509 -48.142
12 HA THR 3 HA THR 3 -29.310 -12.008 -46.676
13 HB THR 3 HB THR 3 -31.765 -12.800 -45.507
14 HG1 THR 3 HG1 THR 3 -32.527 -10.727 -46.066
15 HG21 THR 3 HG21 THR 3 -30.623 -12.073 -43.437
16 HG22 THR 3 HG22 THR 3 -29.426 -11.218 -44.408
17 HG23 THR 3 HG23 THR 3 -29.536 -12.976 -44.491
18 H THR 4 H THR 4 -28.969 -13.385 -48.360
19 HA THR 4 HA THR 4 -31.101 -15.291 -48.940
20 HB THR 4 HB THR 4 -30.961 -13.233 -50.646
21 HG1 THR 4 HG1 THR 4 -32.390 -14.580 -51.357
22 HG21 THR 4 HG21 THR 4 -29.474 -13.583 -52.445
23 HG22 THR 4 HG22 THR 4 -29.121 -15.237 -51.945
24 HG23 THR 4 HG23 THR 4 -28.485 -13.880 -51.016
25 H THR 5 H THR 5 -30.128 -16.933 -50.660
26 HA THR 5 HA THR 5 -27.263 -17.352 -50.278
27 HB THR 5 HB THR 5 -27.978 -19.840 -49.660
28 HG21 THR 5 HG21 THR 5 -28.051 -17.648 -47.572
29 HG22 THR 5 HG22 THR 5 -26.562 -18.199 -48.341
30 HG23 THR 5 HG23 THR 5 -27.513 -19.314 -47.359
31 HA PRO 6 HA PRO 6 -27.117 -18.972 -54.327
32 HB2 PRO 6 HB2 PRO 6 -26.147 -21.594 -53.633
33 HB3 PRO 6 HB3 PRO 6 -25.231 -20.223 -54.275
34 HG2 PRO 6 HG2 PRO 6 -25.445 -21.196 -51.530
35 HG3 PRO 6 HG3 PRO 6 -24.230 -20.139 -52.264
36 HD2 PRO 6 HD2 PRO 6 -26.099 -19.250 -50.469
37 HD3 PRO 6 HD3 PRO 6 -25.388 -18.212 -51.727
38 H LEU 7 H LEU 7 -29.612 -18.995 -53.862
39 HA LEU 7 HA LEU 7 -30.650 -21.416 -54.964
40 HB2 LEU 7 HB2 LEU 7 -30.303 -21.863 -52.413
41 HB3 LEU 7 HB3 LEU 7 -31.737 -20.851 -52.224
42 HG LEU 7 HG LEU 7 -32.655 -22.431 -54.169
43 HD11 LEU 7 HD11 LEU 7 -30.526 -23.677 -54.372
44 HD12 LEU 7 HD12 LEU 7 -31.842 -24.735 -53.861
45 HD13 LEU 7 HD13 LEU 7 -30.660 -24.168 -52.682
46 HD21 LEU 7 HD21 LEU 7 -33.855 -22.286 -52.134
47 HD22 LEU 7 HD22 LEU 7 -32.510 -22.933 -51.195
48 HD23 LEU 7 HD23 LEU 7 -33.438 -23.995 -52.254
49 H LYS 8 H LYS 8 -30.766 -18.839 -55.861
50 HA LYS 8 HA LYS 8 -33.219 -17.549 -55.057
51 HB2 LYS 8 HB2 LYS 8 -31.257 -17.077 -57.303
52 HB3 LYS 8 HB3 LYS 8 -32.730 -16.127 -57.114
53 HG2 LYS 8 HG2 LYS 8 -31.964 -15.055 -55.238
54 HG3 LYS 8 HG3 LYS 8 -31.048 -16.458 -54.685
55 HD2 LYS 8 HD2 LYS 8 -29.347 -16.048 -56.412
56 HD3 LYS 8 HD3 LYS 8 -30.266 -14.662 -57.000
57 HE2 LYS 8 HE2 LYS 8 -30.064 -13.642 -54.709
58 HE3 LYS 8 HE3 LYS 8 -28.984 -14.966 -54.272
59 HZ1 LYS 8 HZ1 LYS 8 -28.278 -13.702 -56.749
60 HZ2 LYS 8 HZ2 LYS 8 -27.310 -14.061 -55.398
61 HZ3 LYS 8 HZ3 LYS 8 -28.232 -12.634 -55.432
62 HN1 NH2 9 HN1 NH2 9 -34.335 -17.894 -58.624
63 HN2 NH2 9 HN2 NH2 9 -35.035 -17.195 -57.244
64 H1 A2G 10 H1 A2G 10 -29.995 -20.119 -50.642
65 H2 A2G 10 H2 A2G 10 -32.189 -20.995 -49.924
66 HN2 A2G 10 HN2 A2G 10 -31.977 -18.046 -49.776
67 H3 A2G 10 H3 A2G 10 -31.815 -19.240 -47.484
68 HO3 A2G 10 HO3 A2G 10 -33.874 -20.669 -48.627
69 H4 A2G 10 H4 A2G 10 -31.524 -21.274 -46.212
70 HO4 A2G 10 HO4 A2G 10 -31.490 -23.280 -47.313
71 H5 A2G 10 H5 A2G 10 -29.485 -20.361 -47.258
72 H6 A2G 10 H6 A2G 10 -29.594 -23.393 -47.399
73 H8 A2G 10 H8 A2G 10 -33.862 -17.818 -52.669
74 H8A A2G 10 H8A A2G 10 -34.593 -17.326 -51.141
75 H8B A2G 10 H8B A2G 10 -32.905 -16.941 -51.475
76 H14 A2G 10 H14 A2G 10 -28.134 -22.418 -47.222
77 H15 A2G 10 H15 A2G 10 -29.702 -21.580 -45.350
Start of MODEL 51
1 H1 ACE 1 H1 ACE 1 -33.691 -11.792 -44.484
2 H2 ACE 1 H2 ACE 1 -32.509 -12.942 -45.110
3 H3 ACE 1 H3 ACE 1 -33.726 -12.254 -46.185
4 HA PRO 2 HA PRO 2 -31.082 -8.311 -44.956
5 HB2 PRO 2 HB2 PRO 2 -28.697 -9.357 -43.727
6 HB3 PRO 2 HB3 PRO 2 -29.895 -8.256 -43.031
7 HG2 PRO 2 HG2 PRO 2 -29.570 -11.132 -42.652
8 HG3 PRO 2 HG3 PRO 2 -30.444 -9.953 -41.663
9 HD2 PRO 2 HD2 PRO 2 -31.701 -11.848 -43.192
10 HD3 PRO 2 HD3 PRO 2 -32.430 -10.275 -42.799
11 H THR 3 H THR 3 -28.729 -10.992 -45.110
12 HA THR 3 HA THR 3 -27.548 -9.828 -47.510
13 HB THR 3 HB THR 3 -25.813 -10.561 -46.199
14 HG1 THR 3 HG1 THR 3 -24.999 -12.263 -47.218
15 HG21 THR 3 HG21 THR 3 -27.672 -12.776 -45.304
16 HG22 THR 3 HG22 THR 3 -27.115 -11.396 -44.356
17 HG23 THR 3 HG23 THR 3 -25.982 -12.669 -44.812
18 H THR 4 H THR 4 -26.945 -11.359 -49.306
19 HA THR 4 HA THR 4 -29.336 -12.846 -50.094
20 HB THR 4 HB THR 4 -27.696 -13.040 -52.233
21 HG1 THR 4 HG1 THR 4 -26.036 -11.905 -51.178
22 HG21 THR 4 HG21 THR 4 -29.345 -10.625 -51.433
23 HG22 THR 4 HG22 THR 4 -29.956 -12.082 -52.217
24 HG23 THR 4 HG23 THR 4 -28.846 -11.016 -53.078
25 H THR 5 H THR 5 -29.050 -14.952 -51.207
26 HA THR 5 HA THR 5 -26.703 -16.504 -50.446
27 HB THR 5 HB THR 5 -28.206 -18.275 -49.401
28 HG21 THR 5 HG21 THR 5 -27.892 -17.372 -47.274
29 HG22 THR 5 HG22 THR 5 -28.331 -15.744 -47.791
30 HG23 THR 5 HG23 THR 5 -26.758 -16.413 -48.225
31 HA PRO 6 HA PRO 6 -27.193 -18.716 -54.176
32 HB2 PRO 6 HB2 PRO 6 -27.487 -21.330 -53.003
33 HB3 PRO 6 HB3 PRO 6 -26.048 -20.622 -53.754
34 HG2 PRO 6 HG2 PRO 6 -26.726 -20.902 -50.928
35 HG3 PRO 6 HG3 PRO 6 -25.156 -20.617 -51.690
36 HD2 PRO 6 HD2 PRO 6 -26.483 -18.709 -50.240
37 HD3 PRO 6 HD3 PRO 6 -25.364 -18.319 -51.565
38 H LEU 7 H LEU 7 -29.101 -18.395 -55.192
39 HA LEU 7 HA LEU 7 -31.636 -19.025 -54.020
40 HB2 LEU 7 HB2 LEU 7 -32.569 -18.312 -56.158
41 HB3 LEU 7 HB3 LEU 7 -31.318 -17.179 -55.645
42 HG LEU 7 HG LEU 7 -29.926 -19.122 -57.088
43 HD11 LEU 7 HD11 LEU 7 -31.137 -19.250 -59.229
44 HD12 LEU 7 HD12 LEU 7 -32.492 -18.369 -58.522
45 HD13 LEU 7 HD13 LEU 7 -32.086 -19.982 -57.935
46 HD21 LEU 7 HD21 LEU 7 -29.665 -17.294 -58.741
47 HD22 LEU 7 HD22 LEU 7 -29.513 -16.692 -57.090
48 HD23 LEU 7 HD23 LEU 7 -31.008 -16.433 -57.989
49 H LYS 8 H LYS 8 -33.249 -20.418 -55.174
50 HA LYS 8 HA LYS 8 -32.143 -23.062 -55.514
51 HB2 LYS 8 HB2 LYS 8 -35.000 -22.149 -55.910
52 HB3 LYS 8 HB3 LYS 8 -34.439 -23.798 -55.635
53 HG2 LYS 8 HG2 LYS 8 -33.356 -22.309 -53.519
54 HG3 LYS 8 HG3 LYS 8 -35.007 -21.713 -53.696
55 HD2 LYS 8 HD2 LYS 8 -35.095 -23.591 -52.194
56 HD3 LYS 8 HD3 LYS 8 -35.772 -24.125 -53.733
57 HE2 LYS 8 HE2 LYS 8 -33.009 -24.585 -53.951
58 HE3 LYS 8 HE3 LYS 8 -33.437 -25.116 -52.324
59 HZ1 LYS 8 HZ1 LYS 8 -34.227 -26.199 -54.894
60 HZ2 LYS 8 HZ2 LYS 8 -35.467 -26.109 -53.736
61 HZ3 LYS 8 HZ3 LYS 8 -34.045 -26.976 -53.399
62 HN1 NH2 9 HN1 NH2 9 -30.952 -23.028 -57.703
63 HN2 NH2 9 HN2 NH2 9 -32.075 -23.656 -58.810
64 H1 A2G 10 H1 A2G 10 -30.040 -18.452 -50.743
65 H2 A2G 10 H2 A2G 10 -32.455 -18.702 -50.285
66 HN2 A2G 10 HN2 A2G 10 -31.655 -15.907 -50.848
67 H3 A2G 10 H3 A2G 10 -32.076 -16.397 -48.357
68 HO3 A2G 10 HO3 A2G 10 -34.105 -16.521 -49.344
69 H4 A2G 10 H4 A2G 10 -32.424 -17.988 -46.572
70 HO4 A2G 10 HO4 A2G 10 -33.690 -19.349 -48.251
71 H5 A2G 10 H5 A2G 10 -30.104 -17.774 -47.381
72 H6 A2G 10 H6 A2G 10 -30.915 -20.619 -46.698
73 H8 A2G 10 H8 A2G 10 -32.627 -16.148 -54.006
74 H8A A2G 10 H8A A2G 10 -33.962 -15.451 -53.086
75 H8B A2G 10 H8B A2G 10 -32.299 -15.008 -52.701
76 H14 A2G 10 H14 A2G 10 -29.269 -19.991 -46.605
77 H15 A2G 10 H15 A2G 10 -31.443 -18.792 -45.257
Start of MODEL 52
1 H1 ACE 1 H1 ACE 1 -31.677 -7.844 -42.883
2 H2 ACE 1 H2 ACE 1 -32.456 -7.212 -44.333
3 H3 ACE 1 H3 ACE 1 -30.859 -6.628 -43.864
4 HA PRO 2 HA PRO 2 -29.980 -11.342 -44.893
5 HB2 PRO 2 HB2 PRO 2 -32.332 -12.260 -46.278
6 HB3 PRO 2 HB3 PRO 2 -31.630 -12.888 -44.780
7 HG2 PRO 2 HG2 PRO 2 -33.909 -11.103 -45.161
8 HG3 PRO 2 HG3 PRO 2 -33.460 -12.081 -43.756
9 HD2 PRO 2 HD2 PRO 2 -33.272 -9.348 -43.798
10 HD3 PRO 2 HD3 PRO 2 -32.222 -10.379 -42.800
11 H THR 3 H THR 3 -28.784 -11.540 -46.709
12 HA THR 3 HA THR 3 -29.415 -9.838 -48.993
13 HB THR 3 HB THR 3 -27.160 -10.629 -49.799
14 HG1 THR 3 HG1 THR 3 -27.395 -12.577 -48.381
15 HG21 THR 3 HG21 THR 3 -27.402 -9.375 -47.052
16 HG22 THR 3 HG22 THR 3 -27.328 -8.534 -48.602
17 HG23 THR 3 HG23 THR 3 -25.912 -9.395 -47.996
18 H THR 4 H THR 4 -27.627 -12.651 -49.715
19 HA THR 4 HA THR 4 -29.922 -14.156 -50.702
20 HB THR 4 HB THR 4 -29.003 -14.243 -53.009
21 HG1 THR 4 HG1 THR 4 -27.232 -13.197 -53.493
22 HG21 THR 4 HG21 THR 4 -29.911 -12.148 -53.694
23 HG22 THR 4 HG22 THR 4 -29.480 -11.381 -52.167
24 HG23 THR 4 HG23 THR 4 -30.774 -12.579 -52.218
25 H THR 5 H THR 5 -29.354 -16.301 -51.407
26 HA THR 5 HA THR 5 -26.618 -17.197 -50.916
27 HB THR 5 HB THR 5 -27.957 -19.125 -49.525
28 HG21 THR 5 HG21 THR 5 -27.082 -16.669 -48.049
29 HG22 THR 5 HG22 THR 5 -25.893 -17.538 -49.020
30 HG23 THR 5 HG23 THR 5 -26.732 -18.364 -47.707
31 HA PRO 6 HA PRO 6 -27.112 -20.026 -54.188
32 HB2 PRO 6 HB2 PRO 6 -26.674 -22.436 -52.672
33 HB3 PRO 6 HB3 PRO 6 -25.535 -21.582 -53.725
34 HG2 PRO 6 HG2 PRO 6 -25.757 -21.555 -50.814
35 HG3 PRO 6 HG3 PRO 6 -24.400 -21.087 -51.848
36 HD2 PRO 6 HD2 PRO 6 -25.907 -19.279 -50.447
37 HD3 PRO 6 HD3 PRO 6 -25.083 -18.883 -51.973
38 H LEU 7 H LEU 7 -29.535 -19.262 -53.350
39 HA LEU 7 HA LEU 7 -31.182 -21.435 -52.436
40 HB2 LEU 7 HB2 LEU 7 -31.562 -18.837 -52.276
41 HB3 LEU 7 HB3 LEU 7 -32.288 -19.048 -53.870
42 HG LEU 7 HG LEU 7 -34.024 -19.268 -52.175
43 HD11 LEU 7 HD11 LEU 7 -34.950 -21.334 -52.888
44 HD12 LEU 7 HD12 LEU 7 -33.361 -22.075 -53.072
45 HD13 LEU 7 HD13 LEU 7 -33.895 -20.841 -54.213
46 HD21 LEU 7 HD21 LEU 7 -32.918 -21.744 -51.002
47 HD22 LEU 7 HD22 LEU 7 -33.753 -20.404 -50.217
48 HD23 LEU 7 HD23 LEU 7 -32.032 -20.278 -50.584
49 H LYS 8 H LYS 8 -31.727 -19.561 -55.396
50 HA LYS 8 HA LYS 8 -32.761 -21.894 -56.745
51 HB2 LYS 8 HB2 LYS 8 -32.235 -19.096 -57.775
52 HB3 LYS 8 HB3 LYS 8 -33.144 -20.348 -58.622
53 HG2 LYS 8 HG2 LYS 8 -34.613 -20.449 -56.498
54 HG3 LYS 8 HG3 LYS 8 -33.870 -18.907 -56.072
55 HD2 LYS 8 HD2 LYS 8 -35.383 -19.502 -58.633
56 HD3 LYS 8 HD3 LYS 8 -35.971 -18.526 -57.286
57 HE2 LYS 8 HE2 LYS 8 -33.669 -17.235 -57.715
58 HE3 LYS 8 HE3 LYS 8 -33.906 -17.875 -59.341
59 HZ1 LYS 8 HZ1 LYS 8 -36.139 -16.915 -59.331
60 HZ2 LYS 8 HZ2 LYS 8 -34.944 -15.724 -59.125
61 HZ3 LYS 8 HZ3 LYS 8 -35.857 -16.256 -57.794
62 HN1 NH2 9 HN1 NH2 9 -31.107 -20.101 -59.072
63 HN2 NH2 9 HN2 NH2 9 -29.928 -21.283 -59.380
64 H1 A2G 10 H1 A2G 10 -30.104 -19.092 -49.961
65 H2 A2G 10 H2 A2G 10 -32.211 -18.836 -48.698
66 HN2 A2G 10 HN2 A2G 10 -31.251 -16.326 -49.939
67 H3 A2G 10 H3 A2G 10 -30.847 -16.472 -47.385
68 HO3 A2G 10 HO3 A2G 10 -32.895 -16.034 -47.174
69 H4 A2G 10 H4 A2G 10 -30.770 -17.790 -45.362
70 HO4 A2G 10 HO4 A2G 10 -31.530 -20.146 -46.557
71 H5 A2G 10 H5 A2G 10 -28.879 -18.097 -46.916
72 H6 A2G 10 H6 A2G 10 -29.887 -20.369 -45.244
73 H8 A2G 10 H8 A2G 10 -33.710 -16.665 -52.376
74 H8A A2G 10 H8A A2G 10 -33.816 -15.377 -51.175
75 H8B A2G 10 H8B A2G 10 -32.255 -15.798 -51.881
76 H14 A2G 10 H14 A2G 10 -28.465 -20.645 -46.251
77 H15 A2G 10 H15 A2G 10 -27.354 -19.532 -44.888
Start of MODEL 53
1 H1 ACE 1 H1 ACE 1 -27.305 -6.105 -47.979
2 H2 ACE 1 H2 ACE 1 -27.000 -5.688 -46.292
3 H3 ACE 1 H3 ACE 1 -28.285 -4.874 -47.185
4 HA PRO 2 HA PRO 2 -31.122 -8.156 -46.328
5 HB2 PRO 2 HB2 PRO 2 -31.533 -9.303 -48.941
6 HB3 PRO 2 HB3 PRO 2 -32.531 -8.107 -48.099
7 HG2 PRO 2 HG2 PRO 2 -31.026 -7.632 -50.366
8 HG3 PRO 2 HG3 PRO 2 -31.649 -6.397 -49.263
9 HD2 PRO 2 HD2 PRO 2 -28.884 -7.489 -49.498
10 HD3 PRO 2 HD3 PRO 2 -29.424 -5.873 -48.990
11 H THR 3 H THR 3 -31.568 -10.469 -46.138
12 HA THR 3 HA THR 3 -29.107 -12.035 -46.192
13 HB THR 3 HB THR 3 -31.779 -13.016 -45.216
14 HG1 THR 3 HG1 THR 3 -30.114 -11.046 -44.177
15 HG21 THR 3 HG21 THR 3 -29.578 -14.403 -45.425
16 HG22 THR 3 HG22 THR 3 -30.504 -14.499 -43.926
17 HG23 THR 3 HG23 THR 3 -29.065 -13.484 -44.010
18 H THR 4 H THR 4 -28.609 -13.233 -47.902
19 HA THR 4 HA THR 4 -30.669 -14.836 -49.207
20 HB THR 4 HB THR 4 -29.011 -13.564 -51.228
21 HG1 THR 4 HG1 THR 4 -30.851 -11.908 -49.861
22 HG21 THR 4 HG21 THR 4 -32.010 -13.530 -50.828
23 HG22 THR 4 HG22 THR 4 -31.139 -14.902 -51.513
24 HG23 THR 4 HG23 THR 4 -31.129 -13.348 -52.345
25 H THR 5 H THR 5 -29.766 -16.490 -50.599
26 HA THR 5 HA THR 5 -26.878 -16.907 -50.469
27 HB THR 5 HB THR 5 -27.711 -19.404 -49.746
28 HG21 THR 5 HG21 THR 5 -25.951 -17.648 -48.801
29 HG22 THR 5 HG22 THR 5 -26.479 -19.017 -47.824
30 HG23 THR 5 HG23 THR 5 -27.189 -17.424 -47.566
31 HA PRO 6 HA PRO 6 -27.092 -18.627 -54.463
32 HB2 PRO 6 HB2 PRO 6 -26.085 -21.244 -53.803
33 HB3 PRO 6 HB3 PRO 6 -25.217 -19.893 -54.548
34 HG2 PRO 6 HG2 PRO 6 -25.203 -20.812 -51.776
35 HG3 PRO 6 HG3 PRO 6 -24.048 -19.780 -52.631
36 HD2 PRO 6 HD2 PRO 6 -25.750 -18.842 -50.700
37 HD3 PRO 6 HD3 PRO 6 -25.142 -17.835 -52.034
38 H LEU 7 H LEU 7 -29.537 -18.680 -53.346
39 HA LEU 7 HA LEU 7 -30.660 -21.322 -53.173
40 HB2 LEU 7 HB2 LEU 7 -31.499 -19.053 -52.143
41 HB3 LEU 7 HB3 LEU 7 -32.317 -18.883 -53.696
42 HG LEU 7 HG LEU 7 -33.819 -19.992 -52.131
43 HD11 LEU 7 HD11 LEU 7 -34.403 -21.863 -53.470
44 HD12 LEU 7 HD12 LEU 7 -32.727 -22.159 -53.933
45 HD13 LEU 7 HD13 LEU 7 -33.587 -20.762 -54.580
46 HD21 LEU 7 HD21 LEU 7 -32.170 -22.431 -51.880
47 HD22 LEU 7 HD22 LEU 7 -33.160 -21.612 -50.670
48 HD23 LEU 7 HD23 LEU 7 -31.533 -21.027 -51.022
49 H LYS 8 H LYS 8 -31.812 -18.747 -55.320
50 HA LYS 8 HA LYS 8 -32.514 -20.679 -57.347
51 HB2 LYS 8 HB2 LYS 8 -33.690 -18.416 -56.695
52 HB3 LYS 8 HB3 LYS 8 -32.535 -17.724 -57.834
53 HG2 LYS 8 HG2 LYS 8 -34.280 -18.234 -59.275
54 HG3 LYS 8 HG3 LYS 8 -33.346 -19.727 -59.369
55 HD2 LYS 8 HD2 LYS 8 -35.432 -20.613 -58.916
56 HD3 LYS 8 HD3 LYS 8 -34.851 -20.377 -57.267
57 HE2 LYS 8 HE2 LYS 8 -35.952 -18.125 -57.259
58 HE3 LYS 8 HE3 LYS 8 -36.634 -18.497 -58.842
59 HZ1 LYS 8 HZ1 LYS 8 -37.403 -19.456 -56.236
60 HZ2 LYS 8 HZ2 LYS 8 -37.272 -20.683 -57.405
61 HZ3 LYS 8 HZ3 LYS 8 -38.308 -19.362 -57.668
62 HN1 NH2 9 HN1 NH2 9 -30.195 -17.862 -57.368
63 HN2 NH2 9 HN2 NH2 9 -29.615 -18.259 -58.912
64 H1 A2G 10 H1 A2G 10 -29.847 -19.710 -50.069
65 H2 A2G 10 H2 A2G 10 -31.837 -20.285 -48.723
66 HN2 A2G 10 HN2 A2G 10 -31.502 -17.378 -49.174
67 H3 A2G 10 H3 A2G 10 -30.841 -18.168 -46.798
68 HO3 A2G 10 HO3 A2G 10 -33.039 -18.344 -46.769
69 H4 A2G 10 H4 A2G 10 -30.322 -19.969 -45.273
70 HO4 A2G 10 HO4 A2G 10 -31.793 -21.390 -47.109
71 H5 A2G 10 H5 A2G 10 -28.560 -19.403 -46.905
72 H6 A2G 10 H6 A2G 10 -28.914 -22.014 -45.661
73 H8 A2G 10 H8 A2G 10 -34.210 -17.502 -51.419
74 H8A A2G 10 H8A A2G 10 -34.207 -16.611 -49.897
75 H8B A2G 10 H8B A2G 10 -32.781 -16.590 -50.934
76 H14 A2G 10 H14 A2G 10 -27.888 -22.116 -47.093
77 H15 A2G 10 H15 A2G 10 -26.528 -21.564 -45.492
Start of MODEL 54
1 H1 ACE 1 H1 ACE 1 -29.044 -10.357 -40.768
2 H2 ACE 1 H2 ACE 1 -30.667 -10.607 -41.411
3 H3 ACE 1 H3 ACE 1 -30.116 -8.979 -41.016
4 HA PRO 2 HA PRO 2 -27.125 -10.219 -44.698
5 HB2 PRO 2 HB2 PRO 2 -28.305 -12.573 -45.866
6 HB3 PRO 2 HB3 PRO 2 -26.689 -12.390 -45.167
7 HG2 PRO 2 HG2 PRO 2 -29.097 -13.564 -44.006
8 HG3 PRO 2 HG3 PRO 2 -27.403 -13.757 -43.530
9 HD2 PRO 2 HD2 PRO 2 -29.224 -12.352 -42.042
10 HD3 PRO 2 HD3 PRO 2 -27.482 -11.991 -42.042
11 H THR 3 H THR 3 -27.561 -10.113 -47.093
12 HA THR 3 HA THR 3 -30.108 -8.762 -47.540
13 HB THR 3 HB THR 3 -28.682 -7.471 -48.716
14 HG1 THR 3 HG1 THR 3 -28.091 -8.515 -50.818
15 HG21 THR 3 HG21 THR 3 -26.829 -9.868 -48.762
16 HG22 THR 3 HG22 THR 3 -26.732 -8.477 -47.680
17 HG23 THR 3 HG23 THR 3 -26.411 -8.280 -49.403
18 H THR 4 H THR 4 -28.252 -11.454 -48.957
19 HA THR 4 HA THR 4 -30.752 -12.780 -49.671
20 HB THR 4 HB THR 4 -29.214 -13.084 -51.986
21 HG1 THR 4 HG1 THR 4 -28.206 -11.282 -52.239
22 HG21 THR 4 HG21 THR 4 -31.071 -11.805 -53.020
23 HG22 THR 4 HG22 THR 4 -31.594 -11.297 -51.413
24 HG23 THR 4 HG23 THR 4 -31.659 -13.001 -51.863
25 H THR 5 H THR 5 -30.035 -14.899 -50.986
26 HA THR 5 HA THR 5 -27.554 -16.016 -49.912
27 HB THR 5 HB THR 5 -28.826 -18.046 -49.098
28 HG21 THR 5 HG21 THR 5 -28.886 -17.161 -46.979
29 HG22 THR 5 HG22 THR 5 -29.789 -15.735 -47.492
30 HG23 THR 5 HG23 THR 5 -28.053 -15.833 -47.785
31 HA PRO 6 HA PRO 6 -27.101 -18.164 -53.693
32 HB2 PRO 6 HB2 PRO 6 -27.018 -20.812 -52.558
33 HB3 PRO 6 HB3 PRO 6 -25.664 -19.819 -53.119
34 HG2 PRO 6 HG2 PRO 6 -26.628 -20.289 -50.402
35 HG3 PRO 6 HG3 PRO 6 -25.060 -19.682 -50.957
36 HD2 PRO 6 HD2 PRO 6 -26.912 -18.105 -49.697
37 HD3 PRO 6 HD3 PRO 6 -25.735 -17.474 -50.872
38 H LEU 7 H LEU 7 -28.953 -18.112 -54.877
39 HA LEU 7 HA LEU 7 -31.398 -19.347 -54.041
40 HB2 LEU 7 HB2 LEU 7 -32.250 -18.664 -56.219
41 HB3 LEU 7 HB3 LEU 7 -31.313 -17.346 -55.512
42 HG LEU 7 HG LEU 7 -29.415 -18.842 -56.901
43 HD11 LEU 7 HD11 LEU 7 -31.830 -18.458 -58.687
44 HD12 LEU 7 HD12 LEU 7 -31.420 -20.010 -57.953
45 HD13 LEU 7 HD13 LEU 7 -30.306 -19.249 -59.089
46 HD21 LEU 7 HD21 LEU 7 -30.972 -16.385 -57.770
47 HD22 LEU 7 HD22 LEU 7 -29.421 -16.892 -58.438
48 HD23 LEU 7 HD23 LEU 7 -29.533 -16.389 -56.751
49 H LYS 8 H LYS 8 -32.556 -20.908 -55.534
50 HA LYS 8 HA LYS 8 -30.909 -23.259 -55.839
51 HB2 LYS 8 HB2 LYS 8 -33.831 -22.644 -56.142
52 HB3 LYS 8 HB3 LYS 8 -33.179 -24.155 -56.778
53 HG2 LYS 8 HG2 LYS 8 -32.256 -24.705 -54.565
54 HG3 LYS 8 HG3 LYS 8 -32.878 -23.186 -53.920
55 HD2 LYS 8 HD2 LYS 8 -35.173 -23.881 -54.409
56 HD3 LYS 8 HD3 LYS 8 -34.584 -25.376 -55.138
57 HE2 LYS 8 HE2 LYS 8 -33.431 -25.098 -52.520
58 HE3 LYS 8 HE3 LYS 8 -35.180 -24.904 -52.402
59 HZ1 LYS 8 HZ1 LYS 8 -34.889 -26.977 -54.125
60 HZ2 LYS 8 HZ2 LYS 8 -35.243 -27.114 -52.469
61 HZ3 LYS 8 HZ3 LYS 8 -33.639 -27.246 -53.012
62 HN1 NH2 9 HN1 NH2 9 -32.346 -22.872 -59.550
63 HN2 NH2 9 HN2 NH2 9 -33.265 -22.100 -58.351
64 H1 A2G 10 H1 A2G 10 -30.473 -18.588 -50.707
65 H2 A2G 10 H2 A2G 10 -32.776 -19.376 -50.436
66 HN2 A2G 10 HN2 A2G 10 -32.719 -16.443 -50.829
67 H3 A2G 10 H3 A2G 10 -33.090 -17.125 -48.437
68 HO3 A2G 10 HO3 A2G 10 -35.022 -17.521 -49.295
69 H4 A2G 10 H4 A2G 10 -33.181 -18.806 -46.714
70 HO4 A2G 10 HO4 A2G 10 -34.142 -20.415 -48.074
71 H5 A2G 10 H5 A2G 10 -30.916 -18.065 -47.309
72 H6 A2G 10 H6 A2G 10 -30.868 -21.067 -46.939
73 H8 A2G 10 H8 A2G 10 -33.000 -16.606 -54.075
74 H8A A2G 10 H8A A2G 10 -34.661 -16.695 -53.489
75 H8B A2G 10 H8B A2G 10 -33.496 -15.646 -52.682
76 H14 A2G 10 H14 A2G 10 -29.705 -19.886 -46.338
77 H15 A2G 10 H15 A2G 10 -31.725 -18.997 -45.256
Start of MODEL 55
1 H1 ACE 1 H1 ACE 1 -30.648 -8.354 -50.475
2 H2 ACE 1 H2 ACE 1 -29.071 -7.607 -50.729
3 H3 ACE 1 H3 ACE 1 -30.399 -6.657 -50.065
4 HA PRO 2 HA PRO 2 -29.506 -7.435 -45.852
5 HB2 PRO 2 HB2 PRO 2 -31.734 -9.151 -45.228
6 HB3 PRO 2 HB3 PRO 2 -31.540 -7.430 -44.859
7 HG2 PRO 2 HG2 PRO 2 -33.056 -8.715 -46.998
8 HG3 PRO 2 HG3 PRO 2 -33.191 -7.076 -46.344
9 HD2 PRO 2 HD2 PRO 2 -32.171 -7.616 -48.830
10 HD3 PRO 2 HD3 PRO 2 -31.686 -6.203 -47.865
11 H THR 3 H THR 3 -30.909 -10.401 -47.273
12 HA THR 3 HA THR 3 -28.475 -11.879 -46.641
13 HB THR 3 HB THR 3 -31.000 -13.159 -45.704
14 HG1 THR 3 HG1 THR 3 -30.381 -12.139 -43.600
15 HG21 THR 3 HG21 THR 3 -29.536 -14.382 -44.337
16 HG22 THR 3 HG22 THR 3 -28.296 -13.130 -44.381
17 HG23 THR 3 HG23 THR 3 -28.587 -14.134 -45.802
18 H THR 4 H THR 4 -28.030 -13.223 -48.265
19 HA THR 4 HA THR 4 -30.177 -14.541 -49.735
20 HB THR 4 HB THR 4 -28.583 -13.671 -51.817
21 HG1 THR 4 HG1 THR 4 -28.817 -11.721 -49.805
22 HG21 THR 4 HG21 THR 4 -30.553 -12.176 -52.308
23 HG22 THR 4 HG22 THR 4 -31.185 -12.585 -50.713
24 HG23 THR 4 HG23 THR 4 -30.988 -13.843 -51.933
25 H THR 5 H THR 5 -29.533 -16.437 -50.722
26 HA THR 5 HA THR 5 -26.691 -17.110 -50.819
27 HB THR 5 HB THR 5 -27.555 -19.389 -49.664
28 HG21 THR 5 HG21 THR 5 -26.423 -18.651 -47.677
29 HG22 THR 5 HG22 THR 5 -26.762 -16.959 -48.042
30 HG23 THR 5 HG23 THR 5 -25.622 -17.864 -49.038
31 HA PRO 6 HA PRO 6 -27.490 -19.314 -54.489
32 HB2 PRO 6 HB2 PRO 6 -26.624 -21.903 -53.569
33 HB3 PRO 6 HB3 PRO 6 -25.743 -20.749 -54.581
34 HG2 PRO 6 HG2 PRO 6 -25.487 -21.288 -51.723
35 HG3 PRO 6 HG3 PRO 6 -24.359 -20.491 -52.829
36 HD2 PRO 6 HD2 PRO 6 -25.752 -19.150 -50.889
37 HD3 PRO 6 HD3 PRO 6 -25.223 -18.390 -52.407
38 H LEU 7 H LEU 7 -29.827 -18.980 -53.430
39 HA LEU 7 HA LEU 7 -31.150 -21.378 -52.552
40 HB2 LEU 7 HB2 LEU 7 -31.884 -19.077 -51.913
41 HB3 LEU 7 HB3 LEU 7 -32.375 -18.810 -53.586
42 HG LEU 7 HG LEU 7 -33.810 -20.905 -53.367
43 HD11 LEU 7 HD11 LEU 7 -32.527 -20.842 -50.757
44 HD12 LEU 7 HD12 LEU 7 -33.472 -22.131 -51.503
45 HD13 LEU 7 HD13 LEU 7 -34.284 -20.849 -50.606
46 HD21 LEU 7 HD21 LEU 7 -35.212 -19.394 -51.460
47 HD22 LEU 7 HD22 LEU 7 -35.346 -19.257 -53.213
48 HD23 LEU 7 HD23 LEU 7 -34.225 -18.221 -52.331
49 H LYS 8 H LYS 8 -32.847 -19.610 -54.952
50 HA LYS 8 HA LYS 8 -33.186 -21.984 -56.560
51 HB2 LYS 8 HB2 LYS 8 -34.802 -20.732 -57.775
52 HB3 LYS 8 HB3 LYS 8 -34.972 -20.227 -56.092
53 HG2 LYS 8 HG2 LYS 8 -34.833 -18.132 -57.003
54 HG3 LYS 8 HG3 LYS 8 -33.100 -18.451 -56.920
55 HD2 LYS 8 HD2 LYS 8 -33.748 -19.651 -59.293
56 HD3 LYS 8 HD3 LYS 8 -34.872 -18.292 -59.276
57 HE2 LYS 8 HE2 LYS 8 -31.871 -18.106 -58.879
58 HE3 LYS 8 HE3 LYS 8 -32.745 -17.645 -60.338
59 HZ1 LYS 8 HZ1 LYS 8 -32.822 -15.644 -59.380
60 HZ2 LYS 8 HZ2 LYS 8 -32.483 -16.248 -57.828
61 HZ3 LYS 8 HZ3 LYS 8 -34.070 -16.294 -58.432
62 HN1 NH2 9 HN1 NH2 9 -32.134 -22.256 -58.848
63 HN2 NH2 9 HN2 NH2 9 -32.043 -20.780 -59.681
64 H1 A2G 10 H1 A2G 10 -29.799 -19.374 -50.102
65 H2 A2G 10 H2 A2G 10 -31.837 -19.724 -48.764
66 HN2 A2G 10 HN2 A2G 10 -31.176 -16.848 -49.000
67 H3 A2G 10 H3 A2G 10 -30.581 -17.837 -46.757
68 HO3 A2G 10 HO3 A2G 10 -33.038 -19.086 -47.114
69 H4 A2G 10 H4 A2G 10 -30.267 -19.744 -45.312
70 HO4 A2G 10 HO4 A2G 10 -30.831 -21.717 -47.057
71 H5 A2G 10 H5 A2G 10 -28.455 -19.357 -46.940
72 H6 A2G 10 H6 A2G 10 -29.041 -22.322 -46.679
73 H8 A2G 10 H8 A2G 10 -33.038 -16.465 -51.656
74 H8A A2G 10 H8A A2G 10 -34.111 -16.108 -50.303
75 H8B A2G 10 H8B A2G 10 -32.423 -15.604 -50.245
76 H14 A2G 10 H14 A2G 10 -27.456 -21.570 -46.867
77 H15 A2G 10 H15 A2G 10 -27.694 -21.915 -44.720
Start of MODEL 56
1 H1 ACE 1 H1 ACE 1 -32.880 -8.636 -43.415
2 H2 ACE 1 H2 ACE 1 -32.839 -9.729 -44.798
3 H3 ACE 1 H3 ACE 1 -33.264 -8.032 -45.027
4 HA PRO 2 HA PRO 2 -28.599 -7.738 -43.546
5 HB2 PRO 2 HB2 PRO 2 -27.575 -10.423 -43.741
6 HB3 PRO 2 HB3 PRO 2 -27.660 -9.384 -42.310
7 HG2 PRO 2 HG2 PRO 2 -29.410 -11.574 -43.126
8 HG3 PRO 2 HG3 PRO 2 -29.201 -10.826 -41.536
9 HD2 PRO 2 HD2 PRO 2 -31.453 -10.497 -43.059
10 HD3 PRO 2 HD3 PRO 2 -30.882 -9.282 -41.894
11 H THR 3 H THR 3 -29.024 -10.643 -45.593
12 HA THR 3 HA THR 3 -28.184 -9.148 -47.950
13 HB THR 3 HB THR 3 -26.669 -11.645 -47.194
14 HG1 THR 3 HG1 THR 3 -25.655 -10.432 -45.833
15 HG21 THR 3 HG21 THR 3 -25.540 -9.536 -48.933
16 HG22 THR 3 HG22 THR 3 -26.936 -10.386 -49.591
17 HG23 THR 3 HG23 THR 3 -25.497 -11.289 -49.116
18 H THR 4 H THR 4 -27.457 -12.154 -48.756
19 HA THR 4 HA THR 4 -30.152 -13.240 -49.008
20 HB THR 4 HB THR 4 -28.800 -13.228 -51.601
21 HG1 THR 4 HG1 THR 4 -29.793 -10.787 -50.564
22 HG21 THR 4 HG21 THR 4 -31.187 -13.899 -51.020
23 HG22 THR 4 HG22 THR 4 -31.017 -12.792 -52.383
24 HG23 THR 4 HG23 THR 4 -31.523 -12.181 -50.808
25 H THR 5 H THR 5 -29.745 -15.205 -50.816
26 HA THR 5 HA THR 5 -27.269 -16.608 -50.146
27 HB THR 5 HB THR 5 -28.607 -18.654 -49.487
28 HG21 THR 5 HG21 THR 5 -29.275 -16.495 -47.537
29 HG22 THR 5 HG22 THR 5 -27.575 -16.732 -47.944
30 HG23 THR 5 HG23 THR 5 -28.511 -18.060 -47.260
31 HA PRO 6 HA PRO 6 -27.268 -18.199 -54.210
32 HB2 PRO 6 HB2 PRO 6 -27.289 -20.987 -53.484
33 HB3 PRO 6 HB3 PRO 6 -25.914 -20.001 -54.005
34 HG2 PRO 6 HG2 PRO 6 -26.705 -20.819 -51.316
35 HG3 PRO 6 HG3 PRO 6 -25.144 -20.230 -51.905
36 HD2 PRO 6 HD2 PRO 6 -26.784 -18.756 -50.278
37 HD3 PRO 6 HD3 PRO 6 -25.651 -18.025 -51.437
38 H LEU 7 H LEU 7 -28.933 -18.361 -55.596
39 HA LEU 7 HA LEU 7 -31.560 -19.068 -54.709
40 HB2 LEU 7 HB2 LEU 7 -30.669 -18.782 -57.579
41 HB3 LEU 7 HB3 LEU 7 -32.275 -18.501 -56.903
42 HG LEU 7 HG LEU 7 -30.703 -16.808 -55.398
43 HD11 LEU 7 HD11 LEU 7 -29.157 -15.691 -56.813
44 HD12 LEU 7 HD12 LEU 7 -29.786 -16.482 -58.258
45 HD13 LEU 7 HD13 LEU 7 -28.849 -17.407 -57.084
46 HD21 LEU 7 HD21 LEU 7 -32.900 -16.311 -56.424
47 HD22 LEU 7 HD22 LEU 7 -32.133 -16.206 -58.008
48 HD23 LEU 7 HD23 LEU 7 -31.738 -15.026 -56.758
49 H LYS 8 H LYS 8 -32.792 -20.867 -55.202
50 HA LYS 8 HA LYS 8 -31.322 -23.312 -55.638
51 HB2 LYS 8 HB2 LYS 8 -33.865 -22.556 -54.541
52 HB3 LYS 8 HB3 LYS 8 -34.105 -23.805 -55.764
53 HG2 LYS 8 HG2 LYS 8 -32.389 -25.206 -54.676
54 HG3 LYS 8 HG3 LYS 8 -32.149 -23.961 -53.451
55 HD2 LYS 8 HD2 LYS 8 -33.768 -24.993 -52.263
56 HD3 LYS 8 HD3 LYS 8 -34.905 -24.365 -53.457
57 HE2 LYS 8 HE2 LYS 8 -35.187 -26.788 -53.245
58 HE3 LYS 8 HE3 LYS 8 -34.539 -26.400 -54.839
59 HZ1 LYS 8 HZ1 LYS 8 -32.620 -27.423 -54.394
60 HZ2 LYS 8 HZ2 LYS 8 -33.472 -28.193 -53.141
61 HZ3 LYS 8 HZ3 LYS 8 -32.531 -26.816 -52.813
62 HN1 NH2 9 HN1 NH2 9 -34.404 -23.021 -57.923
63 HN2 NH2 9 HN2 NH2 9 -33.569 -21.600 -58.326
64 H1 A2G 10 H1 A2G 10 -30.304 -18.886 -51.007
65 H2 A2G 10 H2 A2G 10 -32.678 -19.524 -50.767
66 HN2 A2G 10 HN2 A2G 10 -32.372 -16.581 -50.873
67 H3 A2G 10 H3 A2G 10 -32.752 -17.461 -48.549
68 HO3 A2G 10 HO3 A2G 10 -34.844 -18.457 -48.291
69 H4 A2G 10 H4 A2G 10 -32.966 -19.305 -47.002
70 HO4 A2G 10 HO4 A2G 10 -33.117 -21.374 -47.680
71 H5 A2G 10 H5 A2G 10 -30.659 -18.670 -47.602
72 H6 A2G 10 H6 A2G 10 -30.828 -21.690 -47.482
73 H8 A2G 10 H8 A2G 10 -32.642 -16.479 -54.118
74 H8A A2G 10 H8A A2G 10 -34.301 -16.318 -53.541
75 H8B A2G 10 H8B A2G 10 -32.983 -15.543 -52.662
76 H14 A2G 10 H14 A2G 10 -29.574 -20.649 -46.809
77 H15 A2G 10 H15 A2G 10 -31.480 -19.719 -45.592
Start of MODEL 57
1 H1 ACE 1 H1 ACE 1 -32.860 -10.131 -43.124
2 H2 ACE 1 H2 ACE 1 -31.829 -11.364 -43.852
3 H3 ACE 1 H3 ACE 1 -33.345 -10.908 -44.631
4 HA PRO 2 HA PRO 2 -30.346 -7.214 -45.297
5 HB2 PRO 2 HB2 PRO 2 -27.690 -7.969 -44.473
6 HB3 PRO 2 HB3 PRO 2 -28.727 -6.701 -43.801
7 HG2 PRO 2 HG2 PRO 2 -27.999 -9.032 -42.510
8 HG3 PRO 2 HG3 PRO 2 -29.362 -7.992 -42.072
9 HD2 PRO 2 HD2 PRO 2 -29.373 -10.594 -43.528
10 HD3 PRO 2 HD3 PRO 2 -30.614 -9.883 -42.472
11 H THR 3 H THR 3 -28.308 -10.153 -45.413
12 HA THR 3 HA THR 3 -27.496 -9.522 -48.144
13 HB THR 3 HB THR 3 -26.729 -12.072 -46.793
14 HG1 THR 3 HG1 THR 3 -24.993 -10.289 -46.049
15 HG21 THR 3 HG21 THR 3 -24.818 -11.873 -48.097
16 HG22 THR 3 HG22 THR 3 -24.900 -10.111 -48.130
17 HG23 THR 3 HG23 THR 3 -26.002 -11.064 -49.124
18 H THR 4 H THR 4 -27.162 -12.409 -48.748
19 HA THR 4 HA THR 4 -29.897 -13.397 -48.985
20 HB THR 4 HB THR 4 -28.667 -13.560 -51.588
21 HG1 THR 4 HG1 THR 4 -28.371 -11.479 -52.028
22 HG21 THR 4 HG21 THR 4 -31.075 -13.837 -51.027
23 HG22 THR 4 HG22 THR 4 -30.812 -12.613 -52.270
24 HG23 THR 4 HG23 THR 4 -31.150 -12.125 -50.609
25 H THR 5 H THR 5 -29.591 -15.412 -50.734
26 HA THR 5 HA THR 5 -27.154 -16.890 -50.081
27 HB THR 5 HB THR 5 -28.563 -18.871 -49.354
28 HG21 THR 5 HG21 THR 5 -29.073 -16.656 -47.420
29 HG22 THR 5 HG22 THR 5 -27.399 -16.965 -47.880
30 HG23 THR 5 HG23 THR 5 -28.361 -18.246 -47.143
31 HA PRO 6 HA PRO 6 -27.303 -18.576 -54.105
32 HB2 PRO 6 HB2 PRO 6 -27.415 -21.343 -53.310
33 HB3 PRO 6 HB3 PRO 6 -26.014 -20.425 -53.884
34 HG2 PRO 6 HG2 PRO 6 -26.778 -21.148 -51.160
35 HG3 PRO 6 HG3 PRO 6 -25.209 -20.632 -51.795
36 HD2 PRO 6 HD2 PRO 6 -26.754 -19.058 -50.172
37 HD3 PRO 6 HD3 PRO 6 -25.620 -18.399 -51.372
38 H LEU 7 H LEU 7 -29.211 -18.228 -55.123
39 HA LEU 7 HA LEU 7 -31.713 -19.264 -54.195
40 HB2 LEU 7 HB2 LEU 7 -31.586 -18.455 -57.014
41 HB3 LEU 7 HB3 LEU 7 -32.608 -17.848 -55.710
42 HG LEU 7 HG LEU 7 -30.420 -16.748 -54.822
43 HD11 LEU 7 HD11 LEU 7 -29.294 -18.120 -56.898
44 HD12 LEU 7 HD12 LEU 7 -28.587 -16.676 -56.175
45 HD13 LEU 7 HD13 LEU 7 -29.557 -16.543 -57.642
46 HD21 LEU 7 HD21 LEU 7 -32.357 -15.515 -55.756
47 HD22 LEU 7 HD22 LEU 7 -31.723 -15.765 -57.382
48 HD23 LEU 7 HD23 LEU 7 -30.832 -14.768 -56.232
49 H LYS 8 H LYS 8 -33.098 -20.733 -55.366
50 HA LYS 8 HA LYS 8 -31.670 -23.071 -56.273
51 HB2 LYS 8 HB2 LYS 8 -34.648 -22.534 -56.186
52 HB3 LYS 8 HB3 LYS 8 -33.877 -24.107 -56.393
53 HG2 LYS 8 HG2 LYS 8 -32.676 -23.019 -54.105
54 HG3 LYS 8 HG3 LYS 8 -34.389 -22.628 -53.946
55 HD2 LYS 8 HD2 LYS 8 -34.067 -24.801 -52.958
56 HD3 LYS 8 HD3 LYS 8 -34.891 -25.049 -54.498
57 HE2 LYS 8 HE2 LYS 8 -33.227 -26.457 -55.069
58 HE3 LYS 8 HE3 LYS 8 -32.151 -25.061 -55.124
59 HZ1 LYS 8 HZ1 LYS 8 -31.089 -26.299 -53.568
60 HZ2 LYS 8 HZ2 LYS 8 -32.506 -27.058 -53.019
61 HZ3 LYS 8 HZ3 LYS 8 -32.150 -25.468 -52.539
62 HN1 NH2 9 HN1 NH2 9 -32.189 -23.359 -59.568
63 HN2 NH2 9 HN2 NH2 9 -33.362 -24.021 -58.536
64 H1 A2G 10 H1 A2G 10 -30.333 -19.049 -50.812
65 H2 A2G 10 H2 A2G 10 -32.718 -19.565 -50.485
66 HN2 A2G 10 HN2 A2G 10 -32.174 -16.662 -50.682
67 H3 A2G 10 H3 A2G 10 -32.645 -17.481 -48.290
68 HO3 A2G 10 HO3 A2G 10 -34.712 -19.170 -48.282
69 H4 A2G 10 H4 A2G 10 -32.857 -19.288 -46.706
70 HO4 A2G 10 HO4 A2G 10 -33.584 -20.629 -48.926
71 H5 A2G 10 H5 A2G 10 -30.547 -18.770 -47.393
72 H6 A2G 10 H6 A2G 10 -31.143 -21.723 -47.038
73 H8 A2G 10 H8 A2G 10 -33.234 -16.565 -53.864
74 H8A A2G 10 H8A A2G 10 -34.541 -16.124 -52.766
75 H8B A2G 10 H8B A2G 10 -32.892 -15.599 -52.428
76 H14 A2G 10 H14 A2G 10 -29.533 -21.019 -46.896
77 H15 A2G 10 H15 A2G 10 -31.390 -19.661 -45.453
Start of MODEL 58
1 H1 ACE 1 H1 ACE 1 -33.256 -7.478 -45.545
2 H2 ACE 1 H2 ACE 1 -33.117 -7.991 -43.863
3 H3 ACE 1 H3 ACE 1 -32.837 -9.148 -45.164
4 HA PRO 2 HA PRO 2 -28.739 -7.375 -43.913
5 HB2 PRO 2 HB2 PRO 2 -27.743 -10.070 -43.669
6 HB3 PRO 2 HB3 PRO 2 -27.982 -8.870 -42.390
7 HG2 PRO 2 HG2 PRO 2 -29.432 -11.201 -42.697
8 HG3 PRO 2 HG3 PRO 2 -29.927 -9.795 -41.741
9 HD2 PRO 2 HD2 PRO 2 -30.854 -10.654 -44.442
10 HD3 PRO 2 HD3 PRO 2 -31.728 -9.763 -43.175
11 H THR 3 H THR 3 -29.092 -10.435 -45.732
12 HA THR 3 HA THR 3 -27.813 -9.226 -48.057
13 HB THR 3 HB THR 3 -25.904 -10.058 -46.743
14 HG1 THR 3 HG1 THR 3 -26.500 -10.632 -49.209
15 HG21 THR 3 HG21 THR 3 -27.666 -12.087 -46.019
16 HG22 THR 3 HG22 THR 3 -25.944 -12.029 -45.648
17 HG23 THR 3 HG23 THR 3 -26.510 -12.891 -47.079
18 H THR 4 H THR 4 -27.236 -12.231 -48.714
19 HA THR 4 HA THR 4 -29.948 -13.225 -49.124
20 HB THR 4 HB THR 4 -28.904 -13.551 -51.655
21 HG1 THR 4 HG1 THR 4 -28.588 -10.989 -51.777
22 HG21 THR 4 HG21 THR 4 -31.206 -12.995 -51.223
23 HG22 THR 4 HG22 THR 4 -30.543 -11.719 -52.245
24 HG23 THR 4 HG23 THR 4 -30.753 -11.443 -50.515
25 H THR 5 H THR 5 -29.632 -15.293 -50.705
26 HA THR 5 HA THR 5 -27.188 -16.745 -50.021
27 HB THR 5 HB THR 5 -28.608 -18.692 -49.201
28 HG21 THR 5 HG21 THR 5 -27.391 -16.722 -47.831
29 HG22 THR 5 HG22 THR 5 -28.304 -18.000 -47.030
30 HG23 THR 5 HG23 THR 5 -29.052 -16.429 -47.318
31 HA PRO 6 HA PRO 6 -27.391 -18.610 -53.961
32 HB2 PRO 6 HB2 PRO 6 -27.500 -21.339 -53.043
33 HB3 PRO 6 HB3 PRO 6 -26.105 -20.451 -53.673
34 HG2 PRO 6 HG2 PRO 6 -26.838 -21.049 -50.911
35 HG3 PRO 6 HG3 PRO 6 -25.274 -20.569 -51.587
36 HD2 PRO 6 HD2 PRO 6 -26.796 -18.918 -50.017
37 HD3 PRO 6 HD3 PRO 6 -25.674 -18.317 -51.260
38 H LEU 7 H LEU 7 -29.362 -18.192 -54.866
39 HA LEU 7 HA LEU 7 -31.817 -19.290 -53.885
40 HB2 LEU 7 HB2 LEU 7 -32.835 -18.237 -55.812
41 HB3 LEU 7 HB3 LEU 7 -31.642 -17.131 -55.132
42 HG LEU 7 HG LEU 7 -30.144 -18.629 -56.913
43 HD11 LEU 7 HD11 LEU 7 -32.260 -19.605 -57.801
44 HD12 LEU 7 HD12 LEU 7 -31.404 -18.646 -59.009
45 HD13 LEU 7 HD13 LEU 7 -32.818 -17.978 -58.191
46 HD21 LEU 7 HD21 LEU 7 -30.230 -16.555 -58.305
47 HD22 LEU 7 HD22 LEU 7 -29.988 -16.209 -56.593
48 HD23 LEU 7 HD23 LEU 7 -31.579 -15.985 -57.322
49 H LYS 8 H LYS 8 -33.300 -20.452 -55.532
50 HA LYS 8 HA LYS 8 -32.005 -22.262 -57.367
51 HB2 LYS 8 HB2 LYS 8 -31.608 -23.241 -55.038
52 HB3 LYS 8 HB3 LYS 8 -33.349 -23.518 -54.977
53 HG2 LYS 8 HG2 LYS 8 -33.170 -24.787 -57.130
54 HG3 LYS 8 HG3 LYS 8 -31.417 -24.611 -57.041
55 HD2 LYS 8 HD2 LYS 8 -32.189 -25.556 -54.509
56 HD3 LYS 8 HD3 LYS 8 -33.129 -26.501 -55.665
57 HE2 LYS 8 HE2 LYS 8 -30.124 -26.101 -55.764
58 HE3 LYS 8 HE3 LYS 8 -30.941 -27.562 -55.207
59 HZ1 LYS 8 HZ1 LYS 8 -31.227 -28.230 -57.286
60 HZ2 LYS 8 HZ2 LYS 8 -30.225 -26.955 -57.790
61 HZ3 LYS 8 HZ3 LYS 8 -31.911 -26.749 -57.750
62 HN1 NH2 9 HN1 NH2 9 -35.057 -23.207 -58.625
63 HN2 NH2 9 HN2 NH2 9 -33.672 -22.331 -59.071
64 H1 A2G 10 H1 A2G 10 -30.430 -18.891 -50.606
65 H2 A2G 10 H2 A2G 10 -32.805 -19.370 -50.166
66 HN2 A2G 10 HN2 A2G 10 -32.275 -16.472 -50.466
67 H3 A2G 10 H3 A2G 10 -32.625 -17.211 -48.049
68 HO3 A2G 10 HO3 A2G 10 -34.626 -17.637 -49.227
69 H4 A2G 10 H4 A2G 10 -32.790 -18.960 -46.396
70 HO4 A2G 10 HO4 A2G 10 -32.596 -20.924 -48.388
71 H5 A2G 10 H5 A2G 10 -30.503 -18.491 -47.194
72 H6 A2G 10 H6 A2G 10 -30.948 -21.472 -46.843
73 H8 A2G 10 H8 A2G 10 -33.244 -16.420 -53.606
74 H8A A2G 10 H8A A2G 10 -34.691 -16.114 -52.645
75 H8B A2G 10 H8B A2G 10 -33.142 -15.436 -52.146
76 H14 A2G 10 H14 A2G 10 -29.464 -20.584 -46.498
77 H15 A2G 10 H15 A2G 10 -30.542 -20.806 -44.586
Start of MODEL 59
1 H1 ACE 1 H1 ACE 1 -33.360 -9.085 -46.624
2 H2 ACE 1 H2 ACE 1 -33.122 -7.597 -45.708
3 H3 ACE 1 H3 ACE 1 -32.632 -9.144 -45.019
4 HA PRO 2 HA PRO 2 -29.164 -6.638 -47.305
5 HB2 PRO 2 HB2 PRO 2 -27.585 -7.198 -44.960
6 HB3 PRO 2 HB3 PRO 2 -28.110 -5.625 -45.577
7 HG2 PRO 2 HG2 PRO 2 -29.218 -7.239 -43.409
8 HG3 PRO 2 HG3 PRO 2 -29.422 -5.516 -43.754
9 HD2 PRO 2 HD2 PRO 2 -31.427 -7.349 -44.087
10 HD3 PRO 2 HD3 PRO 2 -31.303 -5.861 -45.054
11 H THR 3 H THR 3 -29.045 -9.488 -45.172
12 HA THR 3 HA THR 3 -26.958 -10.713 -46.801
13 HB THR 3 HB THR 3 -26.945 -12.463 -45.112
14 HG1 THR 3 HG1 THR 3 -29.338 -11.191 -44.375
15 HG21 THR 3 HG21 THR 3 -25.973 -11.186 -43.464
16 HG22 THR 3 HG22 THR 3 -27.308 -10.035 -43.423
17 HG23 THR 3 HG23 THR 3 -26.109 -9.948 -44.713
18 H THR 4 H THR 4 -27.198 -12.680 -47.896
19 HA THR 4 HA THR 4 -29.862 -13.830 -48.185
20 HB THR 4 HB THR 4 -28.987 -13.585 -50.837
21 HG1 THR 4 HG1 THR 4 -28.035 -11.737 -50.941
22 HG21 THR 4 HG21 THR 4 -31.006 -12.145 -51.029
23 HG22 THR 4 HG22 THR 4 -31.080 -12.052 -49.270
24 HG23 THR 4 HG23 THR 4 -31.311 -13.600 -50.082
25 H THR 5 H THR 5 -29.578 -15.554 -50.172
26 HA THR 5 HA THR 5 -26.981 -16.884 -49.962
27 HB THR 5 HB THR 5 -28.085 -19.053 -49.375
28 HG21 THR 5 HG21 THR 5 -28.780 -17.113 -47.211
29 HG22 THR 5 HG22 THR 5 -27.095 -17.217 -47.735
30 HG23 THR 5 HG23 THR 5 -27.917 -18.649 -47.108
31 HA PRO 6 HA PRO 6 -27.409 -17.987 -54.160
32 HB2 PRO 6 HB2 PRO 6 -27.119 -20.827 -53.803
33 HB3 PRO 6 HB3 PRO 6 -25.907 -19.662 -54.358
34 HG2 PRO 6 HG2 PRO 6 -26.243 -20.880 -51.735
35 HG3 PRO 6 HG3 PRO 6 -24.844 -20.043 -52.420
36 HD2 PRO 6 HD2 PRO 6 -26.419 -19.005 -50.414
37 HD3 PRO 6 HD3 PRO 6 -25.470 -18.008 -51.541
38 H LEU 7 H LEU 7 -29.486 -17.698 -54.854
39 HA LEU 7 HA LEU 7 -31.691 -19.263 -53.903
40 HB2 LEU 7 HB2 LEU 7 -33.006 -18.067 -55.552
41 HB3 LEU 7 HB3 LEU 7 -31.914 -16.929 -54.763
42 HG LEU 7 HG LEU 7 -30.398 -17.885 -56.878
43 HD11 LEU 7 HD11 LEU 7 -32.588 -18.929 -57.691
44 HD12 LEU 7 HD12 LEU 7 -31.764 -17.872 -58.838
45 HD13 LEU 7 HD13 LEU 7 -33.165 -17.281 -57.945
46 HD21 LEU 7 HD21 LEU 7 -30.472 -15.563 -56.170
47 HD22 LEU 7 HD22 LEU 7 -32.164 -15.428 -56.651
48 HD23 LEU 7 HD23 LEU 7 -30.913 -15.630 -57.877
49 H LYS 8 H LYS 8 -33.083 -20.546 -55.364
50 HA LYS 8 HA LYS 8 -31.504 -22.528 -56.742
51 HB2 LYS 8 HB2 LYS 8 -34.062 -22.425 -55.512
52 HB3 LYS 8 HB3 LYS 8 -34.307 -22.874 -57.200
53 HG2 LYS 8 HG2 LYS 8 -32.656 -24.674 -56.990
54 HG3 LYS 8 HG3 LYS 8 -32.339 -24.207 -55.318
55 HD2 LYS 8 HD2 LYS 8 -35.179 -24.727 -56.030
56 HD3 LYS 8 HD3 LYS 8 -34.112 -26.131 -55.973
57 HE2 LYS 8 HE2 LYS 8 -33.409 -25.529 -53.697
58 HE3 LYS 8 HE3 LYS 8 -34.435 -24.094 -53.749
59 HZ1 LYS 8 HZ1 LYS 8 -36.236 -25.296 -53.303
60 HZ2 LYS 8 HZ2 LYS 8 -35.183 -26.559 -52.877
61 HZ3 LYS 8 HZ3 LYS 8 -35.842 -26.489 -54.442
62 HN1 NH2 9 HN1 NH2 9 -34.388 -21.548 -59.109
63 HN2 NH2 9 HN2 NH2 9 -34.002 -20.073 -58.362
64 H1 A2G 10 H1 A2G 10 -30.002 -19.291 -50.790
65 H2 A2G 10 H2 A2G 10 -32.206 -20.214 -50.379
66 HN2 A2G 10 HN2 A2G 10 -32.170 -17.279 -50.013
67 H3 A2G 10 H3 A2G 10 -32.275 -18.619 -47.812
68 HO3 A2G 10 HO3 A2G 10 -34.202 -19.284 -49.149
69 H4 A2G 10 H4 A2G 10 -31.997 -20.695 -46.618
70 HO4 A2G 10 HO4 A2G 10 -31.423 -22.213 -48.835
71 H5 A2G 10 H5 A2G 10 -29.902 -19.615 -47.324
72 H6 A2G 10 H6 A2G 10 -29.843 -22.634 -47.607
73 H8 A2G 10 H8 A2G 10 -33.425 -16.751 -53.003
74 H8A A2G 10 H8A A2G 10 -34.808 -16.835 -51.913
75 H8B A2G 10 H8B A2G 10 -33.313 -16.062 -51.384
76 H14 A2G 10 H14 A2G 10 -28.443 -21.618 -47.264
77 H15 A2G 10 H15 A2G 10 -29.856 -20.846 -45.438
Start of MODEL 60
1 H1 ACE 1 H1 ACE 1 -24.549 -8.166 -47.894
2 H2 ACE 1 H2 ACE 1 -23.790 -8.616 -46.366
3 H3 ACE 1 H3 ACE 1 -24.761 -7.147 -46.469
4 HA PRO 2 HA PRO 2 -27.072 -11.106 -44.889
5 HB2 PRO 2 HB2 PRO 2 -28.040 -9.387 -42.789
6 HB3 PRO 2 HB3 PRO 2 -27.006 -10.817 -42.644
7 HG2 PRO 2 HG2 PRO 2 -26.285 -7.987 -42.604
8 HG3 PRO 2 HG3 PRO 2 -25.375 -9.394 -42.036
9 HD2 PRO 2 HD2 PRO 2 -24.678 -7.962 -44.264
10 HD3 PRO 2 HD3 PRO 2 -24.307 -9.690 -44.063
11 H THR 3 H THR 3 -28.594 -11.074 -46.516
12 HA THR 3 HA THR 3 -30.936 -9.395 -46.071
13 HB THR 3 HB THR 3 -29.522 -9.401 -48.747
14 HG1 THR 3 HG1 THR 3 -29.810 -7.369 -46.791
15 HG21 THR 3 HG21 THR 3 -32.022 -8.059 -47.695
16 HG22 THR 3 HG22 THR 3 -31.900 -9.201 -49.034
17 HG23 THR 3 HG23 THR 3 -31.224 -7.580 -49.194
18 H THR 4 H THR 4 -29.363 -11.833 -48.118
19 HA THR 4 HA THR 4 -31.731 -13.519 -47.916
20 HB THR 4 HB THR 4 -32.077 -12.039 -49.932
21 HG1 THR 4 HG1 THR 4 -32.579 -14.483 -49.600
22 HG21 THR 4 HG21 THR 4 -29.418 -12.444 -50.374
23 HG22 THR 4 HG22 THR 4 -30.554 -11.926 -51.619
24 HG23 THR 4 HG23 THR 4 -30.123 -13.630 -51.474
25 H THR 5 H THR 5 -30.838 -15.154 -50.176
26 HA THR 5 HA THR 5 -28.161 -16.044 -49.437
27 HB THR 5 HB THR 5 -29.020 -18.407 -49.097
28 HG21 THR 5 HG21 THR 5 -28.466 -16.562 -47.287
29 HG22 THR 5 HG22 THR 5 -29.226 -18.078 -46.803
30 HG23 THR 5 HG23 THR 5 -30.204 -16.624 -46.997
31 HA PRO 6 HA PRO 6 -27.574 -17.155 -53.617
32 HB2 PRO 6 HB2 PRO 6 -27.046 -19.952 -53.171
33 HB3 PRO 6 HB3 PRO 6 -25.883 -18.653 -53.478
34 HG2 PRO 6 HG2 PRO 6 -26.640 -19.913 -50.956
35 HG3 PRO 6 HG3 PRO 6 -25.208 -18.954 -51.355
36 HD2 PRO 6 HD2 PRO 6 -27.216 -18.040 -49.732
37 HD3 PRO 6 HD3 PRO 6 -26.199 -16.966 -50.718
38 H LEU 7 H LEU 7 -29.285 -17.271 -54.951
39 HA LEU 7 HA LEU 7 -31.614 -18.832 -54.375
40 HB2 LEU 7 HB2 LEU 7 -31.840 -16.749 -55.591
41 HB3 LEU 7 HB3 LEU 7 -30.767 -17.333 -56.864
42 HG LEU 7 HG LEU 7 -33.018 -19.139 -56.304
43 HD11 LEU 7 HD11 LEU 7 -34.570 -17.585 -57.657
44 HD12 LEU 7 HD12 LEU 7 -33.469 -16.288 -57.195
45 HD13 LEU 7 HD13 LEU 7 -34.333 -17.195 -55.954
46 HD21 LEU 7 HD21 LEU 7 -31.318 -19.137 -58.241
47 HD22 LEU 7 HD22 LEU 7 -32.239 -17.780 -58.891
48 HD23 LEU 7 HD23 LEU 7 -33.014 -19.349 -58.674
49 H LYS 8 H LYS 8 -32.281 -20.755 -55.224
50 HA LYS 8 HA LYS 8 -30.909 -22.024 -57.421
51 HB2 LYS 8 HB2 LYS 8 -29.324 -22.513 -55.620
52 HB3 LYS 8 HB3 LYS 8 -30.629 -23.180 -54.636
53 HG2 LYS 8 HG2 LYS 8 -30.527 -24.348 -57.320
54 HG3 LYS 8 HG3 LYS 8 -29.047 -24.622 -56.399
55 HD2 LYS 8 HD2 LYS 8 -30.251 -25.652 -54.601
56 HD3 LYS 8 HD3 LYS 8 -31.803 -25.136 -55.260
57 HE2 LYS 8 HE2 LYS 8 -31.470 -26.579 -57.222
58 HE3 LYS 8 HE3 LYS 8 -29.896 -27.076 -56.600
59 HZ1 LYS 8 HZ1 LYS 8 -30.869 -28.586 -55.333
60 HZ2 LYS 8 HZ2 LYS 8 -32.367 -28.196 -56.034
61 HZ3 LYS 8 HZ3 LYS 8 -31.863 -27.418 -54.609
62 HN1 NH2 9 HN1 NH2 9 -32.271 -23.648 -58.345
63 HN2 NH2 9 HN2 NH2 9 -33.603 -24.328 -57.542
64 H1 A2G 10 H1 A2G 10 -30.525 -18.824 -50.731
65 H2 A2G 10 H2 A2G 10 -32.726 -19.942 -50.799
66 HN2 A2G 10 HN2 A2G 10 -32.910 -16.992 -50.609
67 H3 A2G 10 H3 A2G 10 -33.398 -18.224 -48.396
68 HO3 A2G 10 HO3 A2G 10 -35.343 -19.076 -48.609
69 H4 A2G 10 H4 A2G 10 -33.343 -20.250 -47.081
70 HO4 A2G 10 HO4 A2G 10 -33.553 -21.381 -49.480
71 H5 A2G 10 H5 A2G 10 -31.179 -19.102 -47.375
72 H6 A2G 10 H6 A2G 10 -30.978 -22.131 -47.474
73 H8 A2G 10 H8 A2G 10 -33.545 -16.651 -53.830
74 H8A A2G 10 H8A A2G 10 -35.103 -16.807 -53.016
75 H8B A2G 10 H8B A2G 10 -33.794 -15.906 -52.250
76 H14 A2G 10 H14 A2G 10 -29.698 -21.050 -46.923
77 H15 A2G 10 H15 A2G 10 -31.381 -22.047 -45.378
Start of MODEL 61
1 H1 ACE 1 H1 ACE 1 -29.717 -6.219 -48.775
2 H2 ACE 1 H2 ACE 1 -30.619 -6.753 -47.357
3 H3 ACE 1 H3 ACE 1 -31.031 -7.382 -48.951
4 HA PRO 2 HA PRO 2 -26.513 -9.160 -48.287
5 HB2 PRO 2 HB2 PRO 2 -25.938 -8.743 -45.495
6 HB3 PRO 2 HB3 PRO 2 -25.047 -8.136 -46.899
7 HG2 PRO 2 HG2 PRO 2 -26.974 -6.767 -45.185
8 HG3 PRO 2 HG3 PRO 2 -25.765 -6.095 -46.287
9 HD2 PRO 2 HD2 PRO 2 -28.457 -6.003 -46.784
10 HD3 PRO 2 HD3 PRO 2 -27.231 -6.035 -48.072
11 H THR 3 H THR 3 -29.270 -9.230 -46.256
12 HA THR 3 HA THR 3 -28.656 -11.830 -45.084
13 HB THR 3 HB THR 3 -31.236 -10.260 -44.924
14 HG1 THR 3 HG1 THR 3 -28.774 -9.896 -43.765
15 HG21 THR 3 HG21 THR 3 -30.452 -11.854 -42.632
16 HG22 THR 3 HG22 THR 3 -30.529 -12.844 -44.090
17 HG23 THR 3 HG23 THR 3 -31.939 -11.919 -43.577
18 H THR 4 H THR 4 -28.476 -12.491 -47.528
19 HA THR 4 HA THR 4 -30.924 -13.958 -48.129
20 HB THR 4 HB THR 4 -30.368 -13.121 -50.645
21 HG1 THR 4 HG1 THR 4 -30.124 -10.811 -50.409
22 HG21 THR 4 HG21 THR 4 -32.576 -13.165 -49.550
23 HG22 THR 4 HG22 THR 4 -32.319 -11.636 -50.389
24 HG23 THR 4 HG23 THR 4 -32.152 -11.719 -48.636
25 H THR 5 H THR 5 -30.388 -15.975 -48.657
26 HA THR 5 HA THR 5 -27.603 -16.582 -49.312
27 HB THR 5 HB THR 5 -28.398 -18.968 -49.043
28 HG21 THR 5 HG21 THR 5 -27.882 -16.976 -47.116
29 HG22 THR 5 HG22 THR 5 -27.773 -18.722 -46.892
30 HG23 THR 5 HG23 THR 5 -29.273 -17.876 -46.510
31 HA PRO 6 HA PRO 6 -27.856 -17.178 -53.625
32 HB2 PRO 6 HB2 PRO 6 -27.169 -19.976 -53.613
33 HB3 PRO 6 HB3 PRO 6 -26.129 -18.596 -53.994
34 HG2 PRO 6 HG2 PRO 6 -26.327 -20.152 -51.532
35 HG3 PRO 6 HG3 PRO 6 -25.032 -19.085 -52.094
36 HD2 PRO 6 HD2 PRO 6 -26.697 -18.450 -50.012
37 HD3 PRO 6 HD3 PRO 6 -25.930 -17.228 -51.052
38 H LEU 7 H LEU 7 -29.902 -17.132 -54.402
39 HA LEU 7 HA LEU 7 -31.925 -19.010 -53.639
40 HB2 LEU 7 HB2 LEU 7 -33.333 -17.844 -55.229
41 HB3 LEU 7 HB3 LEU 7 -32.392 -16.656 -54.326
42 HG LEU 7 HG LEU 7 -30.733 -17.265 -56.456
43 HD11 LEU 7 HD11 LEU 7 -32.117 -17.135 -58.461
44 HD12 LEU 7 HD12 LEU 7 -33.579 -17.033 -57.480
45 HD13 LEU 7 HD13 LEU 7 -32.630 -18.519 -57.495
46 HD21 LEU 7 HD21 LEU 7 -31.392 -15.019 -57.276
47 HD22 LEU 7 HD22 LEU 7 -31.185 -15.029 -55.524
48 HD23 LEU 7 HD23 LEU 7 -32.805 -15.057 -56.221
49 H LYS 8 H LYS 8 -33.229 -20.101 -55.476
50 HA LYS 8 HA LYS 8 -31.708 -21.059 -57.732
51 HB2 LYS 8 HB2 LYS 8 -30.977 -22.398 -55.607
52 HB3 LYS 8 HB3 LYS 8 -32.536 -23.200 -55.800
53 HG2 LYS 8 HG2 LYS 8 -31.935 -23.725 -58.163
54 HG3 LYS 8 HG3 LYS 8 -30.344 -23.013 -57.887
55 HD2 LYS 8 HD2 LYS 8 -29.828 -25.201 -57.395
56 HD3 LYS 8 HD3 LYS 8 -30.394 -24.698 -55.801
57 HE2 LYS 8 HE2 LYS 8 -32.680 -25.501 -56.404
58 HE3 LYS 8 HE3 LYS 8 -32.033 -26.102 -57.931
59 HZ1 LYS 8 HZ1 LYS 8 -31.344 -27.920 -56.905
60 HZ2 LYS 8 HZ2 LYS 8 -32.024 -27.368 -55.450
61 HZ3 LYS 8 HZ3 LYS 8 -30.408 -27.004 -55.827
62 HN1 NH2 9 HN1 NH2 9 -34.608 -21.529 -55.673
63 HN2 NH2 9 HN2 NH2 9 -35.636 -21.961 -56.952
64 H1 A2G 10 H1 A2G 10 -30.247 -19.194 -50.453
65 H2 A2G 10 H2 A2G 10 -32.358 -20.426 -50.164
66 HN2 A2G 10 HN2 A2G 10 -32.589 -17.545 -49.523
67 H3 A2G 10 H3 A2G 10 -32.526 -19.084 -47.455
68 HO3 A2G 10 HO3 A2G 10 -34.432 -19.734 -48.781
69 H4 A2G 10 H4 A2G 10 -32.056 -21.235 -46.471
70 HO4 A2G 10 HO4 A2G 10 -31.858 -23.046 -47.674
71 H5 A2G 10 H5 A2G 10 -30.070 -19.916 -47.099
72 H6 A2G 10 H6 A2G 10 -30.008 -22.912 -47.362
73 H8 A2G 10 H8 A2G 10 -33.796 -16.840 -52.466
74 H8A A2G 10 H8A A2G 10 -35.223 -17.125 -51.471
75 H8B A2G 10 H8B A2G 10 -33.820 -16.304 -50.786
76 H14 A2G 10 H14 A2G 10 -28.523 -21.985 -47.578
77 H15 A2G 10 H15 A2G 10 -29.875 -21.111 -45.427
Start of MODEL 62
1 H1 ACE 1 H1 ACE 1 -23.781 -7.898 -47.598
2 H2 ACE 1 H2 ACE 1 -24.777 -6.832 -48.587
3 H3 ACE 1 H3 ACE 1 -24.553 -8.517 -49.057
4 HA PRO 2 HA PRO 2 -28.538 -7.550 -46.469
5 HB2 PRO 2 HB2 PRO 2 -29.906 -9.092 -48.481
6 HB3 PRO 2 HB3 PRO 2 -30.112 -7.379 -48.086
7 HG2 PRO 2 HG2 PRO 2 -28.616 -8.619 -50.265
8 HG3 PRO 2 HG3 PRO 2 -29.199 -6.957 -50.097
9 HD2 PRO 2 HD2 PRO 2 -26.550 -7.635 -49.940
10 HD3 PRO 2 HD3 PRO 2 -27.246 -6.231 -49.099
11 H THR 3 H THR 3 -29.982 -9.273 -45.588
12 HA THR 3 HA THR 3 -28.427 -11.682 -45.049
13 HB THR 3 HB THR 3 -30.466 -12.103 -43.490
14 HG1 THR 3 HG1 THR 3 -31.610 -10.347 -44.678
15 HG21 THR 3 HG21 THR 3 -28.466 -9.859 -43.185
16 HG22 THR 3 HG22 THR 3 -28.366 -11.498 -42.543
17 HG23 THR 3 HG23 THR 3 -29.532 -10.358 -41.872
18 H THR 4 H THR 4 -28.621 -12.686 -47.122
19 HA THR 4 HA THR 4 -31.071 -14.251 -47.367
20 HB THR 4 HB THR 4 -30.324 -13.332 -50.002
21 HG1 THR 4 HG1 THR 4 -31.155 -11.168 -49.590
22 HG21 THR 4 HG21 THR 4 -32.465 -14.405 -49.304
23 HG22 THR 4 HG22 THR 4 -32.712 -12.868 -50.132
24 HG23 THR 4 HG23 THR 4 -32.854 -12.956 -48.377
25 H THR 5 H THR 5 -30.681 -15.577 -49.643
26 HA THR 5 HA THR 5 -27.897 -16.457 -49.802
27 HB THR 5 HB THR 5 -28.618 -18.855 -49.516
28 HG21 THR 5 HG21 THR 5 -29.326 -17.426 -46.988
29 HG22 THR 5 HG22 THR 5 -27.723 -17.152 -47.672
30 HG23 THR 5 HG23 THR 5 -28.228 -18.784 -47.238
31 HA PRO 6 HA PRO 6 -28.481 -17.000 -54.092
32 HB2 PRO 6 HB2 PRO 6 -27.833 -19.805 -54.178
33 HB3 PRO 6 HB3 PRO 6 -26.807 -18.431 -54.616
34 HG2 PRO 6 HG2 PRO 6 -26.835 -20.026 -52.171
35 HG3 PRO 6 HG3 PRO 6 -25.573 -18.965 -52.815
36 HD2 PRO 6 HD2 PRO 6 -27.063 -18.345 -50.601
37 HD3 PRO 6 HD3 PRO 6 -26.363 -17.115 -51.679
38 H LEU 7 H LEU 7 -30.328 -17.242 -55.215
39 HA LEU 7 HA LEU 7 -32.544 -18.702 -54.142
40 HB2 LEU 7 HB2 LEU 7 -32.269 -17.537 -56.920
41 HB3 LEU 7 HB3 LEU 7 -33.764 -17.902 -56.056
42 HG LEU 7 HG LEU 7 -32.444 -16.266 -54.272
43 HD11 LEU 7 HD11 LEU 7 -30.794 -15.873 -56.213
44 HD12 LEU 7 HD12 LEU 7 -31.469 -14.442 -55.435
45 HD13 LEU 7 HD13 LEU 7 -32.107 -14.985 -56.987
46 HD21 LEU 7 HD21 LEU 7 -34.374 -15.457 -56.472
47 HD22 LEU 7 HD22 LEU 7 -34.095 -14.570 -54.972
48 HD23 LEU 7 HD23 LEU 7 -34.830 -16.173 -54.926
49 H LYS 8 H LYS 8 -32.305 -20.879 -54.087
50 HA LYS 8 HA LYS 8 -32.409 -22.311 -56.589
51 HB2 LYS 8 HB2 LYS 8 -29.875 -21.991 -55.222
52 HB3 LYS 8 HB3 LYS 8 -30.343 -23.691 -55.293
53 HG2 LYS 8 HG2 LYS 8 -30.556 -21.934 -57.732
54 HG3 LYS 8 HG3 LYS 8 -29.028 -22.704 -57.305
55 HD2 LYS 8 HD2 LYS 8 -30.163 -24.910 -57.282
56 HD3 LYS 8 HD3 LYS 8 -31.666 -24.126 -57.770
57 HE2 LYS 8 HE2 LYS 8 -30.763 -24.874 -59.812
58 HE3 LYS 8 HE3 LYS 8 -30.273 -23.182 -59.751
59 HZ1 LYS 8 HZ1 LYS 8 -28.300 -24.519 -58.416
60 HZ2 LYS 8 HZ2 LYS 8 -28.210 -23.922 -60.003
61 HZ3 LYS 8 HZ3 LYS 8 -28.659 -25.536 -59.725
62 HN1 NH2 9 HN1 NH2 9 -32.634 -23.600 -52.768
63 HN2 NH2 9 HN2 NH2 9 -33.534 -22.259 -53.291
64 H1 A2G 10 H1 A2G 10 -30.478 -19.196 -50.776
65 H2 A2G 10 H2 A2G 10 -32.575 -20.443 -50.391
66 HN2 A2G 10 HN2 A2G 10 -32.805 -17.535 -49.886
67 H3 A2G 10 H3 A2G 10 -32.668 -18.979 -47.741
68 HO3 A2G 10 HO3 A2G 10 -34.676 -19.497 -48.008
69 H4 A2G 10 H4 A2G 10 -32.194 -21.101 -46.687
70 HO4 A2G 10 HO4 A2G 10 -33.212 -22.175 -48.679
71 H5 A2G 10 H5 A2G 10 -30.227 -19.797 -47.408
72 H6 A2G 10 H6 A2G 10 -30.011 -22.801 -47.771
73 H8 A2G 10 H8 A2G 10 -34.161 -17.069 -52.892
74 H8A A2G 10 H8A A2G 10 -35.450 -17.134 -51.691
75 H8B A2G 10 H8B A2G 10 -33.922 -16.345 -51.303
76 H14 A2G 10 H14 A2G 10 -28.615 -21.732 -47.634
77 H15 A2G 10 H15 A2G 10 -29.272 -22.647 -45.621