Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649443 | 6u24 RC | 30654 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -7.994 -0.967 1.485
2 HA2 GLY 1 2HA GLY 1 -7.410 -2.445 3.255
3 HA3 GLY 1 1HA GLY 1 -8.315 -3.729 2.438
4 H ARG 2 H ARG 2 -6.252 -1.478 0.859
5 HA ARG 2 HA ARG 2 -4.564 -3.732 0.035
6 HB2 ARG 2 2HB ARG 2 -6.198 -2.683 -1.595
7 HB3 ARG 2 1HB ARG 2 -5.205 -1.246 -1.511
8 HG2 ARG 2 2HG ARG 2 -3.295 -2.555 -2.345
9 HG3 ARG 2 1HG ARG 2 -4.362 -3.956 -2.496
10 HD2 ARG 2 2HD ARG 2 -4.577 -1.324 -3.944
11 HD3 ARG 2 1HD ARG 2 -4.235 -2.909 -4.635
12 HE ARG 2 HE ARG 2 -6.747 -2.937 -3.308
13 HH11 ARG 2 1HH1 ARG 2 -5.248 -1.712 -6.269
14 HH12 ARG 2 2HH1 ARG 2 -6.697 -1.704 -7.148
15 HH21 ARG 2 1HH2 ARG 2 -8.672 -2.930 -4.460
16 HH22 ARG 2 2HH2 ARG 2 -8.740 -2.399 -6.083
17 H ALA 3 H AZH 3 -2.592 -3.478 0.844
18 HA ALA 3 HA AZH 3 -1.424 -0.808 1.052
19 HB2 ALA 3 1HB AZH 3 -0.267 -1.995 3.142
20 HB3 ALA 3 2HB AZH 3 -1.786 -2.882 3.163
21 H THR 4 H THR 4 0.637 -0.707 0.239
22 HA THR 4 HA THR 4 1.691 -3.178 -0.762
23 HB THR 4 HB THR 4 3.292 -1.633 -1.925
24 HG1 THR 4 1HG THR 4 3.192 0.432 -1.635
25 HG21 THR 4 1HG2 THR 4 0.356 -1.064 -2.373
26 HG22 THR 4 2HG2 THR 4 1.273 -2.400 -3.072
27 HG23 THR 4 3HG2 THR 4 1.648 -0.738 -3.527
28 H LYS 5 H LYS 5 3.595 -3.978 -0.070
29 HA LYS 5 HA LYS 5 4.733 -2.836 2.359
30 HB2 LYS 5 2HB LYS 5 5.253 -5.417 0.891
31 HB3 LYS 5 1HB LYS 5 6.096 -4.936 2.361
32 HG2 LYS 5 2HG LYS 5 4.088 -4.990 3.618
33 HG3 LYS 5 1HG LYS 5 3.116 -5.212 2.168
34 HD2 LYS 5 2HD LYS 5 4.170 -7.392 1.812
35 HD3 LYS 5 1HD LYS 5 5.139 -7.158 3.269
36 HE2 LYS 5 2HE LYS 5 3.192 -8.570 3.696
37 HE3 LYS 5 1HE LYS 5 3.129 -7.067 4.618
38 HZ1 LYS 5 1HZ LYS 5 1.579 -6.191 2.968
39 HZ2 LYS 5 2HZ LYS 5 0.981 -7.576 3.680
40 HZ3 LYS 5 3HZ LYS 5 1.619 -7.639 2.115
41 H SER 6 H SER 6 5.120 -2.769 -0.915
42 HA SER 6 HA SER 6 7.971 -2.410 -1.024
43 HB2 SER 6 2HB SER 6 5.839 -1.745 -3.068
44 HB3 SER 6 1HB SER 6 7.571 -1.911 -3.372
45 HG SER 6 HG SER 6 6.844 -4.107 -2.172
46 H ILE 7 H ILE 7 9.022 -0.451 -1.112
47 HA ILE 7 HA ILE 7 7.671 1.687 0.229
48 HB ILE 7 HB ILE 7 10.507 1.524 -0.850
49 HG12 ILE 7 2HG1 ILE 7 9.451 1.050 1.944
50 HG13 ILE 7 1HG1 ILE 7 9.968 -0.207 0.828
51 HG21 ILE 7 1HG2 ILE 7 9.769 3.848 -0.486
52 HG22 ILE 7 2HG2 ILE 7 11.013 3.370 0.670
53 HG23 ILE 7 3HG2 ILE 7 9.326 3.438 1.174
54 HD11 ILE 7 1HD1 ILE 7 11.699 1.942 2.027
55 HD12 ILE 7 2HD1 ILE 7 12.231 0.722 0.871
56 HD13 ILE 7 3HD1 ILE 7 11.673 0.233 2.468
57 HA PRO 8 HA PRO 8 7.255 3.652 0.476
58 HB2 PRO 8 2HB PRO 8 5.341 5.455 0.012
59 HB3 PRO 8 1HB PRO 8 7.048 5.831 -0.235
60 HG2 PRO 8 2HG PRO 8 4.943 5.175 -2.242
61 HG3 PRO 8 1HG PRO 8 6.260 6.352 -2.347
62 HD2 PRO 8 2HD PRO 8 6.287 3.815 -3.475
63 HD3 PRO 8 1HD PRO 8 7.726 4.789 -3.136
64 HA PRO 9 HA PRO 9 3.772 0.901 0.862
65 HB2 PRO 9 2HB PRO 9 3.200 1.402 3.506
66 HB3 PRO 9 1HB PRO 9 4.475 0.305 2.968
67 HG2 PRO 9 2HG PRO 9 4.676 3.096 3.972
68 HG3 PRO 9 1HG PRO 9 5.788 1.741 4.190
69 HD2 PRO 9 2HD PRO 9 6.198 3.785 2.416
70 HD3 PRO 9 1HD PRO 9 6.871 2.158 2.218
71 H ILE 10 H ILE 10 2.139 1.708 -0.284
72 HA ILE 10 HA ILE 10 0.729 4.034 0.762
73 HB ILE 10 HB ILE 10 -0.326 4.188 -1.496
74 HG12 ILE 10 2HG1 ILE 10 1.663 2.019 -2.229
75 HG13 ILE 10 1HG1 ILE 10 -0.084 1.836 -2.182
76 HG21 ILE 10 1HG2 ILE 10 1.588 5.565 -0.963
77 HG22 ILE 10 2HG2 ILE 10 1.651 5.074 -2.657
78 HG23 ILE 10 3HG2 ILE 10 2.685 4.280 -1.470
79 HD11 ILE 10 1HD1 ILE 10 0.700 2.061 -4.450
80 HD12 ILE 10 2HD1 ILE 10 1.480 3.595 -4.053
81 HD13 ILE 10 3HD1 ILE 10 -0.279 3.461 -4.005
82 H ALA 11 H PRG 11 -1.433 3.904 1.198
83 HA ALA 11 HA PRG 11 -2.476 1.203 1.069
84 HB1 ALA 11 1HB PRG 11 -3.425 1.363 3.263
85 HB2 ALA 11 2HB PRG 11 -2.846 2.985 3.505
86 H PHE 12 H PHE 12 -4.462 0.947 0.692
87 HA PHE 12 HA PHE 12 -6.065 3.309 -0.001
88 HB2 PHE 12 2HB PHE 12 -6.120 0.585 -1.332
89 HB3 PHE 12 1HB PHE 12 -7.058 1.991 -1.797
90 HD1 PHE 12 1HD PHE 12 -3.939 0.240 -2.172
91 HD2 PHE 12 2HD PHE 12 -5.850 4.002 -2.733
92 HE1 PHE 12 1HE PHE 12 -2.176 0.896 -3.745
93 HE2 PHE 12 2HE PHE 12 -4.083 4.661 -4.304
94 HZ PHE 12 HZ PHE 12 -2.249 3.110 -4.817
95 HA PRO 13 HA PRO 13 -8.897 1.978 3.239
96 HB2 PRO 13 2HB PRO 13 -10.875 2.837 1.197
97 HB3 PRO 13 1HB PRO 13 -10.788 3.249 2.910
98 HG2 PRO 13 2HG PRO 13 -9.989 4.979 1.024
99 HG3 PRO 13 1HG PRO 13 -9.176 4.862 2.588
100 HD2 PRO 13 2HD PRO 13 -8.245 4.014 -0.080
101 HD3 PRO 13 1HD PRO 13 -7.315 4.426 1.368
102 H ASP 14 H ASP 14 -9.260 0.989 -0.061
103 HA ASP 14 HA ASP 14 -11.053 -1.108 -0.097
104 HB2 ASP 14 2HB ASP 14 -9.989 -0.451 -2.114
105 HB3 ASP 14 1HB ASP 14 -8.389 -0.717 -1.451
106 H1 WMH 101 1HG AZH 3 -2.510 -1.053 4.472
107 H2 WMH 101 2HG AZH 3 -2.697 -0.436 2.878
108 H5 WMH 101 HD PRG 11 -0.160 3.303 3.894
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -8.026 -1.066 1.172
2 HA2 GLY 1 2HA GLY 1 -7.789 -2.711 2.953
3 HA3 GLY 1 1HA GLY 1 -8.779 -3.801 1.982
4 H ARG 2 H ARG 2 -6.043 -1.725 1.130
5 HA ARG 2 HA ARG 2 -4.408 -4.024 0.539
6 HB2 ARG 2 2HB ARG 2 -5.322 -2.053 -1.547
7 HB3 ARG 2 1HB ARG 2 -3.828 -2.959 -1.715
8 HG2 ARG 2 2HG ARG 2 -5.046 -5.043 -1.705
9 HG3 ARG 2 1HG ARG 2 -6.551 -4.183 -1.378
10 HD2 ARG 2 2HD ARG 2 -4.854 -3.768 -3.824
11 HD3 ARG 2 1HD ARG 2 -6.245 -4.848 -3.756
12 HE ARG 2 HE ARG 2 -7.601 -2.907 -3.221
13 HH11 ARG 2 1HH1 ARG 2 -4.439 -2.281 -4.747
14 HH12 ARG 2 2HH1 ARG 2 -4.927 -0.846 -5.508
15 HH21 ARG 2 1HH2 ARG 2 -8.271 -0.934 -4.323
16 HH22 ARG 2 2HH2 ARG 2 -7.162 -0.062 -5.263
17 H ALA 3 H AZH 3 -2.266 -3.578 0.606
18 HA ALA 3 HA AZH 3 -1.378 -0.850 1.070
19 HB2 ALA 3 1HB AZH 3 0.002 -2.073 3.008
20 HB3 ALA 3 2HB AZH 3 -1.440 -3.076 3.046
21 H THR 4 H THR 4 0.589 -0.512 0.112
22 HA THR 4 HA THR 4 1.803 -2.732 -1.172
23 HB THR 4 HB THR 4 3.544 -0.990 -1.814
24 HG1 THR 4 1HG THR 4 3.388 0.960 -1.060
25 HG21 THR 4 1HG2 THR 4 0.658 -0.363 -2.464
26 HG22 THR 4 2HG2 THR 4 1.674 -1.537 -3.301
27 HG23 THR 4 3HG2 THR 4 2.058 0.182 -3.387
28 H LYS 5 H LYS 5 3.602 -3.768 -0.572
29 HA LYS 5 HA LYS 5 4.458 -3.266 2.186
30 HB2 LYS 5 2HB LYS 5 4.607 -5.816 0.575
31 HB3 LYS 5 1HB LYS 5 5.058 -5.638 2.264
32 HG2 LYS 5 2HG LYS 5 2.284 -5.323 1.110
33 HG3 LYS 5 1HG LYS 5 2.860 -6.676 2.073
34 HD2 LYS 5 2HD LYS 5 2.621 -3.809 3.032
35 HD3 LYS 5 1HD LYS 5 1.476 -5.097 3.373
36 HE2 LYS 5 2HE LYS 5 4.380 -5.071 4.214
37 HE3 LYS 5 1HE LYS 5 3.012 -4.683 5.252
38 HZ1 LYS 5 1HZ LYS 5 2.179 -6.930 4.902
39 HZ2 LYS 5 2HZ LYS 5 3.705 -6.948 5.601
40 HZ3 LYS 5 3HZ LYS 5 3.517 -7.325 3.971
41 H SER 6 H SER 6 5.356 -2.012 -0.258
42 HA SER 6 HA SER 6 8.187 -2.339 0.147
43 HB2 SER 6 2HB SER 6 8.488 -2.141 -2.350
44 HB3 SER 6 1HB SER 6 7.758 -3.664 -1.848
45 HG SER 6 HG SER 6 6.765 -1.683 -3.414
46 H ILE 7 H ILE 7 9.235 -0.326 -0.851
47 HA ILE 7 HA ILE 7 7.762 1.967 0.007
48 HB ILE 7 HB ILE 7 10.462 1.739 -1.353
49 HG12 ILE 7 2HG1 ILE 7 10.457 0.610 0.790
50 HG13 ILE 7 1HG1 ILE 7 11.406 2.087 0.898
51 HG21 ILE 7 1HG2 ILE 7 9.547 3.964 -1.663
52 HG22 ILE 7 2HG2 ILE 7 10.928 3.991 -0.567
53 HG23 ILE 7 3HG2 ILE 7 9.292 4.117 0.078
54 HD11 ILE 7 1HD1 ILE 7 8.609 1.670 1.939
55 HD12 ILE 7 2HD1 ILE 7 9.501 3.191 2.003
56 HD13 ILE 7 3HD1 ILE 7 10.089 1.781 2.891
57 HA PRO 8 HA PRO 8 7.159 3.833 -0.232
58 HB2 PRO 8 2HB PRO 8 5.116 5.431 -0.987
59 HB3 PRO 8 1HB PRO 8 6.797 5.785 -1.391
60 HG2 PRO 8 2HG PRO 8 4.613 4.855 -3.132
61 HG3 PRO 8 1HG PRO 8 6.112 5.686 -3.559
62 HD2 PRO 8 2HD PRO 8 5.519 2.876 -3.733
63 HD3 PRO 8 1HD PRO 8 7.017 3.708 -4.180
64 HA PRO 9 HA PRO 9 3.766 1.301 1.072
65 HB2 PRO 9 2HB PRO 9 3.596 2.040 3.658
66 HB3 PRO 9 1HB PRO 9 4.945 1.079 3.043
67 HG2 PRO 9 2HG PRO 9 4.829 3.984 3.668
68 HG3 PRO 9 1HG PRO 9 6.158 2.838 3.917
69 HD2 PRO 9 2HD PRO 9 5.966 4.628 1.801
70 HD3 PRO 9 1HD PRO 9 6.966 3.163 1.809
71 H ILE 10 H ILE 10 2.108 2.141 -0.133
72 HA ILE 10 HA ILE 10 0.599 4.306 1.105
73 HB ILE 10 HB ILE 10 1.305 4.895 -1.176
74 HG12 ILE 10 2HG1 ILE 10 -0.914 5.341 -2.223
75 HG13 ILE 10 1HG1 ILE 10 -1.653 4.274 -1.037
76 HG21 ILE 10 1HG2 ILE 10 0.552 3.667 -3.153
77 HG22 ILE 10 2HG2 ILE 10 -0.105 2.409 -2.106
78 HG23 ILE 10 3HG2 ILE 10 1.632 2.713 -2.134
79 HD11 ILE 10 1HD1 ILE 10 -0.938 5.774 0.758
80 HD12 ILE 10 2HD1 ILE 10 -1.931 6.614 -0.431
81 HD13 ILE 10 3HD1 ILE 10 -0.184 6.835 -0.433
82 H ALA 11 H PRG 11 -1.437 3.871 1.786
83 HA ALA 11 HA PRG 11 -2.280 1.151 1.266
84 HB1 ALA 11 1HB PRG 11 -3.301 1.068 3.448
85 HB2 ALA 11 2HB PRG 11 -2.798 2.684 3.839
86 H PHE 12 H PHE 12 -4.307 0.732 0.924
87 HA PHE 12 HA PHE 12 -5.885 2.992 -0.038
88 HB2 PHE 12 2HB PHE 12 -5.888 0.083 -0.879
89 HB3 PHE 12 1HB PHE 12 -6.897 1.334 -1.579
90 HD1 PHE 12 1HD PHE 12 -5.928 3.029 -3.044
91 HD2 PHE 12 2HD PHE 12 -3.552 -0.107 -1.423
92 HE1 PHE 12 1HE PHE 12 -4.161 3.513 -4.693
93 HE2 PHE 12 2HE PHE 12 -1.789 0.368 -3.060
94 HZ PHE 12 HZ PHE 12 -2.089 2.181 -4.698
95 HA PRO 13 HA PRO 13 -8.810 1.943 3.264
96 HB2 PRO 13 2HB PRO 13 -11.028 3.007 1.896
97 HB3 PRO 13 1HB PRO 13 -10.009 3.874 3.041
98 HG2 PRO 13 2HG PRO 13 -9.956 3.895 0.070
99 HG3 PRO 13 1HG PRO 13 -9.580 5.192 1.209
100 HD2 PRO 13 2HD PRO 13 -7.670 3.873 -0.128
101 HD3 PRO 13 1HD PRO 13 -7.413 4.454 1.531
102 H ASP 14 H ASP 14 -9.079 1.147 -0.045
103 HA ASP 14 HA ASP 14 -11.161 -0.645 -0.302
104 HB2 ASP 14 2HB ASP 14 -9.747 0.103 -2.144
105 HB3 ASP 14 1HB ASP 14 -8.379 -0.775 -1.476
106 H1 WMH 101 1HG AZH 3 -2.242 -1.402 4.513
107 H2 WMH 101 2HG AZH 3 -2.533 -0.665 2.984
108 H5 WMH 101 HD PRG 11 -0.070 3.078 4.171
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -8.023 -0.861 1.611
2 HA2 GLY 1 2HA GLY 1 -7.446 -2.167 3.594
3 HA3 GLY 1 1HA GLY 1 -8.464 -3.454 2.957
4 H ARG 2 H ARG 2 -6.549 -1.687 0.767
5 HA ARG 2 HA ARG 2 -4.812 -4.017 0.454
6 HB2 ARG 2 2HB ARG 2 -5.884 -2.040 -1.554
7 HB3 ARG 2 1HB ARG 2 -4.485 -3.046 -1.917
8 HG2 ARG 2 2HG ARG 2 -5.772 -5.042 -1.698
9 HG3 ARG 2 1HG ARG 2 -7.144 -4.152 -1.045
10 HD2 ARG 2 2HD ARG 2 -6.059 -3.625 -3.798
11 HD3 ARG 2 1HD ARG 2 -7.265 -4.877 -3.501
12 HE ARG 2 HE ARG 2 -8.540 -2.955 -2.419
13 HH11 ARG 2 1HH1 ARG 2 -6.627 -2.718 -5.383
14 HH12 ARG 2 2HH1 ARG 2 -7.485 -1.406 -6.024
15 HH21 ARG 2 1HH2 ARG 2 -9.774 -1.098 -3.369
16 HH22 ARG 2 2HH2 ARG 2 -9.299 -0.484 -4.862
17 H ALA 3 H AZH 3 -2.650 -3.761 0.551
18 HA ALA 3 HA AZH 3 -1.504 -1.092 0.826
19 HB2 ALA 3 1HB AZH 3 -0.294 -2.232 2.918
20 HB3 ALA 3 2HB AZH 3 -1.806 -3.126 2.989
21 H THR 4 H THR 4 0.670 -0.995 0.165
22 HA THR 4 HA THR 4 1.675 -3.441 -0.984
23 HB THR 4 HB THR 4 3.223 -1.882 -2.177
24 HG1 THR 4 1HG THR 4 3.077 0.238 -1.897
25 HG21 THR 4 1HG2 THR 4 0.291 -1.183 -2.419
26 HG22 THR 4 2HG2 THR 4 1.089 -2.541 -3.207
27 HG23 THR 4 3HG2 THR 4 1.521 -0.887 -3.646
28 H LYS 5 H LYS 5 3.911 -4.001 -0.618
29 HA LYS 5 HA LYS 5 4.860 -3.203 2.042
30 HB2 LYS 5 2HB LYS 5 5.754 -5.448 0.236
31 HB3 LYS 5 1HB LYS 5 6.339 -5.155 1.867
32 HG2 LYS 5 2HG LYS 5 4.126 -5.606 2.746
33 HG3 LYS 5 1HG LYS 5 3.518 -5.852 1.109
34 HD2 LYS 5 2HD LYS 5 5.105 -7.706 0.819
35 HD3 LYS 5 1HD LYS 5 5.652 -7.478 2.481
36 HE2 LYS 5 2HE LYS 5 4.032 -9.298 2.301
37 HE3 LYS 5 1HE LYS 5 3.428 -7.980 3.304
38 HZ1 LYS 5 1HZ LYS 5 2.702 -8.411 0.447
39 HZ2 LYS 5 2HZ LYS 5 2.069 -7.223 1.471
40 HZ3 LYS 5 3HZ LYS 5 1.766 -8.837 1.768
41 H SER 6 H SER 6 5.313 -2.516 -1.157
42 HA SER 6 HA SER 6 8.145 -2.109 -1.099
43 HB2 SER 6 2HB SER 6 7.516 -1.027 -3.376
44 HB3 SER 6 1HB SER 6 7.317 -2.774 -3.189
45 HG SER 6 HG SER 6 5.368 -0.752 -3.025
46 H ILE 7 H ILE 7 9.131 -0.244 -0.582
47 HA ILE 7 HA ILE 7 7.535 1.788 0.704
48 HB ILE 7 HB ILE 7 10.552 1.661 0.351
49 HG12 ILE 7 2HG1 ILE 7 9.784 -0.354 1.514
50 HG13 ILE 7 1HG1 ILE 7 10.655 0.697 2.620
51 HG21 ILE 7 1HG2 ILE 7 9.747 3.879 0.965
52 HG22 ILE 7 2HG2 ILE 7 10.655 3.147 2.287
53 HG23 ILE 7 3HG2 ILE 7 8.897 3.197 2.352
54 HD11 ILE 7 1HD1 ILE 7 7.668 0.348 2.446
55 HD12 ILE 7 2HD1 ILE 7 8.499 1.461 3.535
56 HD13 ILE 7 3HD1 ILE 7 8.732 -0.278 3.706
57 HA PRO 8 HA PRO 8 7.218 3.835 1.107
58 HB2 PRO 8 2HB PRO 8 5.398 5.696 -0.055
59 HB3 PRO 8 1HB PRO 8 6.835 6.061 0.897
60 HG2 PRO 8 2HG PRO 8 6.490 6.604 -1.816
61 HG3 PRO 8 1HG PRO 8 8.030 6.598 -0.952
62 HD2 PRO 8 2HD PRO 8 6.832 4.536 -2.721
63 HD3 PRO 8 1HD PRO 8 8.539 4.946 -2.459
64 HA PRO 9 HA PRO 9 3.843 1.062 0.316
65 HB2 PRO 9 2HB PRO 9 2.748 1.058 2.815
66 HB3 PRO 9 1HB PRO 9 4.205 0.149 2.400
67 HG2 PRO 9 2HG PRO 9 3.937 2.768 3.801
68 HG3 PRO 9 1HG PRO 9 5.065 1.438 4.114
69 HD2 PRO 9 2HD PRO 9 5.726 3.712 2.770
70 HD3 PRO 9 1HD PRO 9 6.530 2.154 2.505
71 H ILE 10 H ILE 10 1.985 1.501 -0.607
72 HA ILE 10 HA ILE 10 0.578 3.916 0.221
73 HB ILE 10 HB ILE 10 1.303 4.046 -2.118
74 HG12 ILE 10 2HG1 ILE 10 -0.889 4.377 -3.263
75 HG13 ILE 10 1HG1 ILE 10 -1.675 3.591 -1.899
76 HG21 ILE 10 1HG2 ILE 10 -0.204 1.497 -2.598
77 HG22 ILE 10 2HG2 ILE 10 1.543 1.723 -2.667
78 HG23 ILE 10 3HG2 ILE 10 0.504 2.517 -3.850
79 HD11 ILE 10 1HD1 ILE 10 -1.820 6.024 -1.778
80 HD12 ILE 10 2HD1 ILE 10 -0.059 6.123 -1.758
81 HD13 ILE 10 3HD1 ILE 10 -0.916 5.356 -0.421
82 H ALA 11 H PRG 11 -1.416 3.676 1.060
83 HA ALA 11 HA PRG 11 -2.464 0.979 0.873
84 HB1 ALA 11 1HB PRG 11 -3.424 1.160 3.083
85 HB2 ALA 11 2HB PRG 11 -2.819 2.774 3.310
86 H PHE 12 H PHE 12 -4.412 0.682 0.441
87 HA PHE 12 HA PHE 12 -5.940 2.993 -0.519
88 HB2 PHE 12 2HB PHE 12 -6.220 0.061 -1.260
89 HB3 PHE 12 1HB PHE 12 -7.049 1.413 -2.021
90 HD1 PHE 12 1HD PHE 12 -5.652 3.130 -3.269
91 HD2 PHE 12 2HD PHE 12 -4.118 -0.643 -2.030
92 HE1 PHE 12 1HE PHE 12 -3.819 3.338 -4.895
93 HE2 PHE 12 2HE PHE 12 -2.286 -0.437 -3.660
94 HZ PHE 12 HZ PHE 12 -2.138 1.558 -5.090
95 HA PRO 13 HA PRO 13 -8.618 2.501 3.056
96 HB2 PRO 13 2HB PRO 13 -10.707 3.346 1.099
97 HB3 PRO 13 1HB PRO 13 -10.361 3.975 2.714
98 HG2 PRO 13 2HG PRO 13 -9.591 5.335 0.591
99 HG3 PRO 13 1HG PRO 13 -8.509 5.186 1.988
100 HD2 PRO 13 2HD PRO 13 -8.394 3.801 -0.656
101 HD3 PRO 13 1HD PRO 13 -7.078 4.403 0.372
102 H ASP 14 H ASP 14 -9.199 0.915 0.098
103 HA ASP 14 HA ASP 14 -11.382 -0.745 0.722
104 HB2 ASP 14 2HB ASP 14 -10.512 -0.472 -1.530
105 HB3 ASP 14 1HB ASP 14 -8.999 -1.225 -1.056
106 H1 WMH 101 1HG AZH 3 -2.533 -1.273 4.279
107 H2 WMH 101 2HG AZH 3 -2.720 -0.659 2.684
108 H5 WMH 101 HD PRG 11 -0.119 3.053 3.660
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -7.950 -0.773 1.533
2 HA2 GLY 1 2HA GLY 1 -7.513 -1.519 3.789
3 HA3 GLY 1 1HA GLY 1 -8.530 -2.920 3.454
4 H ARG 2 H ARG 2 -6.295 -1.752 1.109
5 HA ARG 2 HA ARG 2 -4.556 -4.017 1.696
6 HB2 ARG 2 2HB ARG 2 -4.227 -4.380 -0.716
7 HB3 ARG 2 1HB ARG 2 -5.895 -4.623 -0.252
8 HG2 ARG 2 2HG ARG 2 -6.404 -2.351 -1.127
9 HG3 ARG 2 1HG ARG 2 -4.738 -2.252 -1.699
10 HD2 ARG 2 2HD ARG 2 -6.160 -2.961 -3.521
11 HD3 ARG 2 1HD ARG 2 -5.119 -4.303 -3.042
12 HE ARG 2 HE ARG 2 -7.683 -4.278 -1.728
13 HH11 ARG 2 1HH1 ARG 2 -5.993 -5.457 -4.621
14 HH12 ARG 2 2HH1 ARG 2 -7.126 -6.689 -4.896
15 HH21 ARG 2 1HH2 ARG 2 -9.165 -5.910 -2.131
16 HH22 ARG 2 2HH2 ARG 2 -8.962 -6.984 -3.453
17 H ALA 3 H AZH 3 -2.427 -3.663 1.595
18 HA ALA 3 HA AZH 3 -1.527 -0.975 0.853
19 HB2 ALA 3 1HB AZH 3 0.173 -1.269 2.762
20 HB3 ALA 3 2HB AZH 3 -0.875 -2.560 3.331
21 H THR 4 H THR 4 0.631 -0.846 0.103
22 HA THR 4 HA THR 4 1.463 -3.312 -1.125
23 HB THR 4 HB THR 4 3.039 -1.734 -2.349
24 HG1 THR 4 1HG THR 4 2.188 0.469 -2.264
25 HG21 THR 4 1HG2 THR 4 1.232 -0.903 -3.804
26 HG22 THR 4 2HG2 THR 4 0.063 -1.267 -2.533
27 HG23 THR 4 3HG2 THR 4 0.949 -2.574 -3.314
28 H LYS 5 H LYS 5 3.527 -4.166 -0.939
29 HA LYS 5 HA LYS 5 4.829 -3.633 1.579
30 HB2 LYS 5 2HB LYS 5 5.272 -5.779 -0.495
31 HB3 LYS 5 1HB LYS 5 6.201 -5.649 0.991
32 HG2 LYS 5 2HG LYS 5 4.152 -5.951 2.298
33 HG3 LYS 5 1HG LYS 5 3.223 -6.076 0.806
34 HD2 LYS 5 2HD LYS 5 4.440 -8.075 0.175
35 HD3 LYS 5 1HD LYS 5 5.482 -7.914 1.586
36 HE2 LYS 5 2HE LYS 5 3.773 -9.609 1.974
37 HE3 LYS 5 1HE LYS 5 3.539 -8.239 3.049
38 HZ1 LYS 5 1HZ LYS 5 1.783 -7.452 1.581
39 HZ2 LYS 5 2HZ LYS 5 1.461 -9.016 2.112
40 HZ3 LYS 5 3HZ LYS 5 2.006 -8.776 0.560
41 H SER 6 H SER 6 5.092 -2.470 -1.445
42 HA SER 6 HA SER 6 7.922 -2.121 -1.621
43 HB2 SER 6 2HB SER 6 6.389 -2.161 -3.612
44 HB3 SER 6 1HB SER 6 5.691 -0.641 -3.063
45 HG SER 6 HG SER 6 8.389 -1.110 -3.760
46 H ILE 7 H ILE 7 8.638 0.358 -1.888
47 HA ILE 7 HA ILE 7 7.634 1.761 0.473
48 HB ILE 7 HB ILE 7 10.453 1.720 -0.665
49 HG12 ILE 7 2HG1 ILE 7 9.374 0.684 1.965
50 HG13 ILE 7 1HG1 ILE 7 9.826 -0.307 0.585
51 HG21 ILE 7 1HG2 ILE 7 11.097 3.132 1.239
52 HG22 ILE 7 2HG2 ILE 7 9.412 3.225 1.742
53 HG23 ILE 7 3HG2 ILE 7 9.913 3.948 0.213
54 HD11 ILE 7 1HD1 ILE 7 11.540 -0.311 2.314
55 HD12 ILE 7 2HD1 ILE 7 11.686 1.442 2.172
56 HD13 ILE 7 3HD1 ILE 7 12.132 0.404 0.818
57 HA PRO 8 HA PRO 8 7.244 3.572 1.278
58 HB2 PRO 8 2HB PRO 8 5.248 5.383 1.261
59 HB3 PRO 8 1HB PRO 8 6.940 5.871 1.259
60 HG2 PRO 8 2HG PRO 8 4.993 5.765 -0.995
61 HG3 PRO 8 1HG PRO 8 6.243 6.971 -0.652
62 HD2 PRO 8 2HD PRO 8 6.506 4.960 -2.507
63 HD3 PRO 8 1HD PRO 8 7.869 5.748 -1.698
64 HA PRO 9 HA PRO 9 3.715 0.827 1.064
65 HB2 PRO 9 2HB PRO 9 2.600 1.468 3.534
66 HB3 PRO 9 1HB PRO 9 3.821 0.228 3.285
67 HG2 PRO 9 2HG PRO 9 4.099 3.002 4.283
68 HG3 PRO 9 1HG PRO 9 5.043 1.562 4.702
69 HD2 PRO 9 2HD PRO 9 5.976 3.532 3.095
70 HD3 PRO 9 1HD PRO 9 6.459 1.836 2.908
71 H ILE 10 H ILE 10 2.203 1.502 -0.303
72 HA ILE 10 HA ILE 10 0.728 3.954 0.264
73 HB ILE 10 HB ILE 10 0.696 2.173 -2.207
74 HG12 ILE 10 2HG1 ILE 10 2.877 3.279 -1.952
75 HG13 ILE 10 1HG1 ILE 10 1.998 3.936 -3.323
76 HG21 ILE 10 1HG2 ILE 10 -0.475 4.019 -3.307
77 HG22 ILE 10 2HG2 ILE 10 -0.477 4.916 -1.792
78 HG23 ILE 10 3HG2 ILE 10 -1.386 3.407 -1.925
79 HD11 ILE 10 1HD1 ILE 10 1.376 5.888 -1.951
80 HD12 ILE 10 2HD1 ILE 10 3.119 5.694 -2.117
81 HD13 ILE 10 3HD1 ILE 10 2.323 5.225 -0.615
82 H ALA 11 H PRG 11 -1.259 3.778 1.159
83 HA ALA 11 HA PRG 11 -2.365 1.098 1.117
84 HB1 ALA 11 1HB PRG 11 -3.402 1.411 3.234
85 HB2 ALA 11 2HB PRG 11 -2.970 3.078 3.364
86 H PHE 12 H PHE 12 -4.219 0.716 0.434
87 HA PHE 12 HA PHE 12 -5.685 2.924 -0.782
88 HB2 PHE 12 2HB PHE 12 -5.748 -0.030 -1.443
89 HB3 PHE 12 1HB PHE 12 -6.579 1.247 -2.329
90 HD1 PHE 12 1HD PHE 12 -5.135 3.062 -3.408
91 HD2 PHE 12 2HD PHE 12 -3.562 -0.634 -2.006
92 HE1 PHE 12 1HE PHE 12 -3.141 3.372 -4.808
93 HE2 PHE 12 2HE PHE 12 -1.575 -0.324 -3.418
94 HZ PHE 12 HZ PHE 12 -1.361 1.678 -4.812
95 HA PRO 13 HA PRO 13 -8.965 2.864 2.219
96 HB2 PRO 13 2HB PRO 13 -10.551 2.905 -0.322
97 HB3 PRO 13 1HB PRO 13 -10.792 3.840 1.157
98 HG2 PRO 13 2HG PRO 13 -9.575 4.937 -0.921
99 HG3 PRO 13 1HG PRO 13 -9.010 5.251 0.728
100 HD2 PRO 13 2HD PRO 13 -7.768 3.628 -1.416
101 HD3 PRO 13 1HD PRO 13 -7.015 4.445 -0.034
102 H ASP 14 H ASP 14 -9.183 0.663 -0.514
103 HA ASP 14 HA ASP 14 -11.138 -1.146 0.220
104 HB2 ASP 14 2HB ASP 14 -10.003 -1.335 -1.906
105 HB3 ASP 14 1HB ASP 14 -8.477 -1.681 -1.108
106 H1 WMH 101 1HG AZH 3 -2.294 -0.976 4.338
107 H2 WMH 101 2HG AZH 3 -2.417 -0.266 2.783
108 H5 WMH 101 HD PRG 11 -0.442 3.653 4.137
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -8.140 -1.017 1.623
2 HA2 GLY 1 2HA GLY 1 -7.576 -2.779 3.202
3 HA3 GLY 1 1HA GLY 1 -8.431 -3.907 2.154
4 H ARG 2 H ARG 2 -6.450 -1.449 0.785
5 HA ARG 2 HA ARG 2 -4.606 -3.538 -0.177
6 HB2 ARG 2 2HB ARG 2 -5.094 -0.809 -1.327
7 HB3 ARG 2 1HB ARG 2 -4.128 -2.090 -2.028
8 HG2 ARG 2 2HG ARG 2 -6.114 -3.394 -2.437
9 HG3 ARG 2 1HG ARG 2 -7.109 -2.157 -1.653
10 HD2 ARG 2 2HD ARG 2 -6.210 -0.524 -3.325
11 HD3 ARG 2 1HD ARG 2 -5.479 -1.889 -4.165
12 HE ARG 2 HE ARG 2 -7.932 -2.722 -4.093
13 HH11 ARG 2 1HH1 ARG 2 -6.765 0.539 -4.800
14 HH12 ARG 2 2HH1 ARG 2 -8.090 0.970 -5.778
15 HH21 ARG 2 1HH2 ARG 2 -9.770 -2.141 -5.403
16 HH22 ARG 2 2HH2 ARG 2 -9.860 -0.599 -6.109
17 H ALA 3 H AZH 3 -2.611 -3.403 0.557
18 HA ALA 3 HA AZH 3 -1.361 -0.850 0.973
19 HB2 ALA 3 1HB AZH 3 -0.351 -2.032 3.165
20 HB3 ALA 3 2HB AZH 3 -1.949 -2.766 3.186
21 H THR 4 H THR 4 0.686 -0.892 0.289
22 HA THR 4 HA THR 4 1.522 -3.418 -0.761
23 HB THR 4 HB THR 4 3.349 -2.015 -1.844
24 HG1 THR 4 1HG THR 4 3.130 0.117 -1.825
25 HG21 THR 4 1HG2 THR 4 1.820 -1.105 -3.542
26 HG22 THR 4 2HG2 THR 4 0.464 -1.345 -2.440
27 HG23 THR 4 3HG2 THR 4 1.351 -2.735 -3.062
28 H LYS 5 H LYS 5 3.805 -4.048 -0.633
29 HA LYS 5 HA LYS 5 4.781 -3.685 2.098
30 HB2 LYS 5 2HB LYS 5 6.043 -5.760 1.702
31 HB3 LYS 5 1HB LYS 5 4.313 -5.979 1.485
32 HG2 LYS 5 2HG LYS 5 4.666 -5.767 -0.969
33 HG3 LYS 5 1HG LYS 5 6.398 -5.737 -0.664
34 HD2 LYS 5 2HD LYS 5 4.569 -8.008 0.145
35 HD3 LYS 5 1HD LYS 5 5.463 -7.949 -1.367
36 HE2 LYS 5 2HE LYS 5 6.719 -9.333 0.112
37 HE3 LYS 5 1HE LYS 5 7.577 -7.803 0.023
38 HZ1 LYS 5 1HZ LYS 5 5.743 -8.571 2.233
39 HZ2 LYS 5 2HZ LYS 5 6.757 -7.225 2.213
40 HZ3 LYS 5 3HZ LYS 5 7.400 -8.757 2.274
41 H SER 6 H SER 6 5.221 -2.370 -0.801
42 HA SER 6 HA SER 6 8.080 -2.257 -0.859
43 HB2 SER 6 2HB SER 6 7.363 -0.702 -2.836
44 HB3 SER 6 1HB SER 6 7.178 -2.450 -2.986
45 HG SER 6 HG SER 6 5.309 -0.632 -3.215
46 H ILE 7 H ILE 7 9.069 -0.082 -1.047
47 HA ILE 7 HA ILE 7 7.765 1.874 0.716
48 HB ILE 7 HB ILE 7 10.744 1.494 0.189
49 HG12 ILE 7 2HG1 ILE 7 9.171 0.752 2.668
50 HG13 ILE 7 1HG1 ILE 7 9.753 -0.396 1.470
51 HG21 ILE 7 1HG2 ILE 7 10.122 3.797 0.780
52 HG22 ILE 7 2HG2 ILE 7 11.066 3.041 2.063
53 HG23 ILE 7 3HG2 ILE 7 9.320 3.203 2.233
54 HD11 ILE 7 1HD1 ILE 7 11.462 1.372 3.212
55 HD12 ILE 7 2HD1 ILE 7 12.059 0.226 2.012
56 HD13 ILE 7 3HD1 ILE 7 11.187 -0.358 3.430
57 HA PRO 8 HA PRO 8 7.318 3.854 0.896
58 HB2 PRO 8 2HB PRO 8 5.634 5.718 -0.045
59 HB3 PRO 8 1HB PRO 8 7.336 6.080 0.263
60 HG2 PRO 8 2HG PRO 8 5.951 5.502 -2.315
61 HG3 PRO 8 1HG PRO 8 7.199 6.710 -1.955
62 HD2 PRO 8 2HD PRO 8 7.692 4.280 -3.148
63 HD3 PRO 8 1HD PRO 8 8.898 5.201 -2.230
64 HA PRO 9 HA PRO 9 3.883 1.209 0.014
65 HB2 PRO 9 2HB PRO 9 2.674 1.241 2.409
66 HB3 PRO 9 1HB PRO 9 4.221 0.427 2.141
67 HG2 PRO 9 2HG PRO 9 3.676 3.088 3.385
68 HG3 PRO 9 1HG PRO 9 4.838 1.843 3.873
69 HD2 PRO 9 2HD PRO 9 5.491 4.081 2.419
70 HD3 PRO 9 1HD PRO 9 6.412 2.564 2.392
71 H ILE 10 H ILE 10 1.929 1.455 -0.802
72 HA ILE 10 HA ILE 10 0.526 3.950 -0.270
73 HB ILE 10 HB ILE 10 -0.693 3.540 -2.406
74 HG12 ILE 10 2HG1 ILE 10 1.340 1.323 -2.813
75 HG13 ILE 10 1HG1 ILE 10 -0.381 1.097 -2.549
76 HG21 ILE 10 1HG2 ILE 10 1.183 5.066 -2.383
77 HG22 ILE 10 2HG2 ILE 10 1.150 4.185 -3.910
78 HG23 ILE 10 3HG2 ILE 10 2.306 3.733 -2.656
79 HD11 ILE 10 1HD1 ILE 10 0.892 2.441 -4.919
80 HD12 ILE 10 2HD1 ILE 10 -0.839 2.239 -4.674
81 HD13 ILE 10 3HD1 ILE 10 0.192 0.821 -4.892
82 H ALA 11 H PRG 11 -1.533 3.847 0.517
83 HA ALA 11 HA PRG 11 -2.596 1.168 0.839
84 HB1 ALA 11 1HB PRG 11 -3.305 1.584 3.107
85 HB2 ALA 11 2HB PRG 11 -2.616 3.175 3.142
86 H PHE 12 H PHE 12 -4.703 1.002 0.908
87 HA PHE 12 HA PHE 12 -6.308 3.352 0.218
88 HB2 PHE 12 2HB PHE 12 -6.442 0.634 -1.136
89 HB3 PHE 12 1HB PHE 12 -7.510 1.985 -1.443
90 HD1 PHE 12 1HD PHE 12 -4.032 0.774 -1.846
91 HD2 PHE 12 2HD PHE 12 -6.912 3.718 -2.915
92 HE1 PHE 12 1HE PHE 12 -2.558 1.561 -3.612
93 HE2 PHE 12 2HE PHE 12 -5.417 4.516 -4.693
94 HZ PHE 12 HZ PHE 12 -3.237 3.436 -5.037
95 HA PRO 13 HA PRO 13 -8.645 1.606 3.603
96 HB2 PRO 13 2HB PRO 13 -11.069 2.838 2.982
97 HB3 PRO 13 1HB PRO 13 -9.789 3.533 3.975
98 HG2 PRO 13 2HG PRO 13 -10.451 4.028 1.123
99 HG3 PRO 13 1HG PRO 13 -9.800 5.136 2.333
100 HD2 PRO 13 2HD PRO 13 -8.291 4.043 0.368
101 HD3 PRO 13 1HD PRO 13 -7.632 4.471 1.961
102 H ASP 14 H ASP 14 -9.095 0.889 0.418
103 HA ASP 14 HA ASP 14 -11.359 -0.855 0.453
104 HB2 ASP 14 2HB ASP 14 -8.890 -0.930 -1.311
105 HB3 ASP 14 1HB ASP 14 -10.402 -1.773 -1.613
106 H1 WMH 101 1HG AZH 3 -2.390 -0.786 4.464
107 H2 WMH 101 2HG AZH 3 -2.720 -0.312 2.840
108 H5 WMH 101 HD PRG 11 0.095 3.366 3.251
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -8.280 -0.947 1.592
2 HA2 GLY 1 2HA GLY 1 -7.340 -2.713 2.873
3 HA3 GLY 1 1HA GLY 1 -8.491 -3.817 2.133
4 H ARG 2 H ARG 2 -5.806 -1.703 1.298
5 HA ARG 2 HA ARG 2 -4.539 -3.776 -0.233
6 HB2 ARG 2 2HB ARG 2 -6.108 -2.896 -1.881
7 HB3 ARG 2 1HB ARG 2 -5.607 -1.262 -1.525
8 HG2 ARG 2 2HG ARG 2 -3.366 -1.799 -2.430
9 HG3 ARG 2 1HG ARG 2 -3.988 -3.391 -2.893
10 HD2 ARG 2 2HD ARG 2 -5.692 -2.365 -4.271
11 HD3 ARG 2 1HD ARG 2 -5.182 -0.769 -3.734
12 HE ARG 2 HE ARG 2 -3.037 -2.135 -4.920
13 HH11 ARG 2 1HH1 ARG 2 -6.043 -0.429 -5.707
14 HH12 ARG 2 2HH1 ARG 2 -5.587 0.015 -7.275
15 HH21 ARG 2 1HH2 ARG 2 -2.358 -1.491 -7.104
16 HH22 ARG 2 2HH2 ARG 2 -3.442 -0.636 -8.106
17 H ALA 3 H AZH 3 -2.512 -3.579 0.427
18 HA ALA 3 HA AZH 3 -1.317 -0.941 0.792
19 HB2 ALA 3 1HB AZH 3 -0.131 -2.242 2.800
20 HB3 ALA 3 2HB AZH 3 -1.663 -3.098 2.814
21 H THR 4 H THR 4 0.826 -0.826 0.175
22 HA THR 4 HA THR 4 1.910 -3.237 -0.947
23 HB THR 4 HB THR 4 3.619 -1.594 -1.882
24 HG1 THR 4 1HG THR 4 3.257 0.510 -1.712
25 HG21 THR 4 1HG2 THR 4 2.110 -0.746 -3.640
26 HG22 THR 4 2HG2 THR 4 0.721 -1.178 -2.641
27 HG23 THR 4 3HG2 THR 4 1.788 -2.438 -3.259
28 H LYS 5 H LYS 5 3.812 -4.039 -0.244
29 HA LYS 5 HA LYS 5 4.635 -3.315 2.447
30 HB2 LYS 5 2HB LYS 5 4.214 -5.674 1.830
31 HB3 LYS 5 1HB LYS 5 5.467 -5.577 0.610
32 HG2 LYS 5 2HG LYS 5 7.154 -5.296 2.335
33 HG3 LYS 5 1HG LYS 5 5.901 -5.310 3.582
34 HD2 LYS 5 2HD LYS 5 5.265 -7.581 2.908
35 HD3 LYS 5 1HD LYS 5 6.521 -7.557 1.672
36 HE2 LYS 5 2HE LYS 5 7.026 -7.247 4.624
37 HE3 LYS 5 1HE LYS 5 7.157 -8.773 3.755
38 HZ1 LYS 5 1HZ LYS 5 8.931 -7.842 2.440
39 HZ2 LYS 5 2HZ LYS 5 9.302 -7.657 4.062
40 HZ3 LYS 5 3HZ LYS 5 8.772 -6.338 3.176
41 H SER 6 H SER 6 5.446 -2.686 -0.724
42 HA SER 6 HA SER 6 8.301 -2.298 -0.272
43 HB2 SER 6 2HB SER 6 6.647 -1.798 -2.753
44 HB3 SER 6 1HB SER 6 8.406 -1.909 -2.654
45 HG SER 6 HG SER 6 7.496 -4.085 -1.564
46 H ILE 7 H ILE 7 9.257 -0.254 -0.295
47 HA ILE 7 HA ILE 7 7.579 1.959 0.423
48 HB ILE 7 HB ILE 7 10.587 1.858 -0.094
49 HG12 ILE 7 2HG1 ILE 7 9.097 1.743 2.537
50 HG13 ILE 7 1HG1 ILE 7 9.845 0.365 1.742
51 HG21 ILE 7 1HG2 ILE 7 9.668 4.138 -0.234
52 HG22 ILE 7 2HG2 ILE 7 10.724 3.943 1.162
53 HG23 ILE 7 3HG2 ILE 7 8.976 3.952 1.382
54 HD11 ILE 7 1HD1 ILE 7 12.040 1.419 2.002
55 HD12 ILE 7 2HD1 ILE 7 11.230 1.209 3.555
56 HD13 ILE 7 3HD1 ILE 7 11.277 2.798 2.793
57 HA PRO 8 HA PRO 8 7.166 4.017 0.222
58 HB2 PRO 8 2HB PRO 8 5.274 5.546 -0.909
59 HB3 PRO 8 1HB PRO 8 6.981 5.999 -0.939
60 HG2 PRO 8 2HG PRO 8 5.299 4.793 -3.090
61 HG3 PRO 8 1HG PRO 8 6.562 6.027 -3.219
62 HD2 PRO 8 2HD PRO 8 6.911 3.340 -3.792
63 HD3 PRO 8 1HD PRO 8 8.218 4.463 -3.383
64 HA PRO 9 HA PRO 9 3.759 1.147 0.542
65 HB2 PRO 9 2HB PRO 9 3.090 1.625 3.116
66 HB3 PRO 9 1HB PRO 9 4.528 0.694 2.677
67 HG2 PRO 9 2HG PRO 9 4.299 3.545 3.523
68 HG3 PRO 9 1HG PRO 9 5.519 2.339 3.964
69 HD2 PRO 9 2HD PRO 9 5.908 4.271 2.057
70 HD3 PRO 9 1HD PRO 9 6.743 2.706 2.069
71 H ILE 10 H ILE 10 1.978 1.670 -0.448
72 HA ILE 10 HA ILE 10 0.529 4.057 0.401
73 HB ILE 10 HB ILE 10 -0.628 3.920 -1.830
74 HG12 ILE 10 2HG1 ILE 10 1.577 1.936 -2.475
75 HG13 ILE 10 1HG1 ILE 10 -0.128 1.543 -2.314
76 HG21 ILE 10 1HG2 ILE 10 2.358 4.329 -1.874
77 HG22 ILE 10 2HG2 ILE 10 1.136 5.532 -1.461
78 HG23 ILE 10 3HG2 ILE 10 1.234 4.900 -3.106
79 HD11 ILE 10 1HD1 ILE 10 -0.625 2.936 -4.256
80 HD12 ILE 10 2HD1 ILE 10 0.552 1.678 -4.641
81 HD13 ILE 10 3HD1 ILE 10 1.085 3.341 -4.394
82 H ALA 11 H PRG 11 -1.445 3.794 1.239
83 HA ALA 11 HA PRG 11 -2.508 1.104 1.053
84 HB1 ALA 11 1HB PRG 11 -3.274 1.165 3.343
85 HB2 ALA 11 2HB PRG 11 -2.646 2.769 3.596
86 H PHE 12 H PHE 12 -4.448 0.844 0.660
87 HA PHE 12 HA PHE 12 -6.084 3.202 0.041
88 HB2 PHE 12 2HB PHE 12 -6.273 0.407 -1.087
89 HB3 PHE 12 1HB PHE 12 -7.252 1.767 -1.564
90 HD1 PHE 12 1HD PHE 12 -6.601 3.145 -3.313
91 HD2 PHE 12 2HD PHE 12 -3.727 0.559 -1.555
92 HE1 PHE 12 1HE PHE 12 -5.024 3.661 -5.133
93 HE2 PHE 12 2HE PHE 12 -2.144 1.073 -3.362
94 HZ PHE 12 HZ PHE 12 -2.794 2.623 -5.161
95 HA PRO 13 HA PRO 13 -8.635 2.052 3.487
96 HB2 PRO 13 2HB PRO 13 -11.011 3.093 2.547
97 HB3 PRO 13 1HB PRO 13 -9.748 4.013 3.370
98 HG2 PRO 13 2HG PRO 13 -10.279 3.720 0.442
99 HG3 PRO 13 1HG PRO 13 -9.835 5.172 1.358
100 HD2 PRO 13 2HD PRO 13 -8.033 3.874 -0.100
101 HD3 PRO 13 1HD PRO 13 -7.589 4.550 1.482
102 H ASP 14 H ASP 14 -9.296 0.854 0.313
103 HA ASP 14 HA ASP 14 -11.513 -0.760 1.231
104 HB2 ASP 14 2HB ASP 14 -11.666 -1.610 -1.043
105 HB3 ASP 14 1HB ASP 14 -11.535 0.139 -1.076
106 H1 WMH 101 1HG AZH 3 -2.304 -1.322 4.241
107 H2 WMH 101 2HG AZH 3 -2.553 -0.624 2.687
108 H5 WMH 101 HD PRG 11 0.059 3.030 3.803
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -8.279 -1.049 1.641
2 HA2 GLY 1 2HA GLY 1 -7.584 -2.861 2.926
3 HA3 GLY 1 1HA GLY 1 -8.599 -3.920 1.945
4 H ARG 2 H ARG 2 -6.184 -1.582 0.952
5 HA ARG 2 HA ARG 2 -4.585 -3.773 -0.189
6 HB2 ARG 2 2HB ARG 2 -6.050 -2.615 -1.896
7 HB3 ARG 2 1HB ARG 2 -5.161 -1.147 -1.544
8 HG2 ARG 2 2HG ARG 2 -3.083 -2.283 -2.262
9 HG3 ARG 2 1HG ARG 2 -4.067 -3.664 -2.757
10 HD2 ARG 2 2HD ARG 2 -4.183 -0.846 -3.820
11 HD3 ARG 2 1HD ARG 2 -3.698 -2.301 -4.691
12 HE ARG 2 HE ARG 2 -6.097 -3.030 -4.202
13 HH11 ARG 2 1HH1 ARG 2 -5.097 0.287 -4.985
14 HH12 ARG 2 2HH1 ARG 2 -6.628 0.778 -5.542
15 HH21 ARG 2 1HH2 ARG 2 -8.219 -2.356 -5.015
16 HH22 ARG 2 2HH2 ARG 2 -8.440 -0.764 -5.562
17 H ALA 3 H AZH 3 -2.555 -3.593 0.502
18 HA ALA 3 HA AZH 3 -1.455 -0.970 1.094
19 HB2 ALA 3 1HB AZH 3 -0.316 -2.360 3.081
20 HB3 ALA 3 2HB AZH 3 -1.850 -3.216 2.995
21 H THR 4 H THR 4 0.669 -0.729 0.565
22 HA THR 4 HA THR 4 1.844 -2.995 -0.749
23 HB THR 4 HB THR 4 3.473 -1.265 -1.567
24 HG1 THR 4 1HG THR 4 3.319 0.752 -0.927
25 HG21 THR 4 1HG2 THR 4 1.918 -0.187 -3.134
26 HG22 THR 4 2HG2 THR 4 0.563 -0.654 -2.109
27 HG23 THR 4 3HG2 THR 4 1.520 -1.893 -2.920
28 H LYS 5 H LYS 5 3.687 -3.887 -0.022
29 HA LYS 5 HA LYS 5 4.713 -2.848 2.497
30 HB2 LYS 5 2HB LYS 5 5.670 -5.129 2.902
31 HB3 LYS 5 1HB LYS 5 3.932 -5.098 2.833
32 HG2 LYS 5 2HG LYS 5 4.457 -7.032 1.671
33 HG3 LYS 5 1HG LYS 5 4.222 -5.866 0.375
34 HD2 LYS 5 2HD LYS 5 6.177 -7.218 -0.085
35 HD3 LYS 5 1HD LYS 5 6.684 -5.564 0.271
36 HE2 LYS 5 2HE LYS 5 7.270 -6.226 2.558
37 HE3 LYS 5 1HE LYS 5 6.696 -7.860 2.235
38 HZ1 LYS 5 1HZ LYS 5 9.133 -7.576 2.109
39 HZ2 LYS 5 2HZ LYS 5 8.924 -6.581 0.751
40 HZ3 LYS 5 3HZ LYS 5 8.457 -8.191 0.704
41 H SER 6 H SER 6 5.233 -2.541 -0.534
42 HA SER 6 HA SER 6 8.150 -2.466 -0.369
43 HB2 SER 6 2HB SER 6 6.302 -2.217 -2.762
44 HB3 SER 6 1HB SER 6 8.062 -2.248 -2.829
45 HG SER 6 HG SER 6 7.809 -4.349 -1.674
46 H ILE 7 H ILE 7 8.908 -0.384 -1.841
47 HA ILE 7 HA ILE 7 7.860 1.845 -0.312
48 HB ILE 7 HB ILE 7 10.278 1.649 -2.146
49 HG12 ILE 7 2HG1 ILE 7 10.130 1.640 0.879
50 HG13 ILE 7 1HG1 ILE 7 10.394 0.220 -0.121
51 HG21 ILE 7 1HG2 ILE 7 11.006 3.761 -1.131
52 HG22 ILE 7 2HG2 ILE 7 9.511 3.834 -0.200
53 HG23 ILE 7 3HG2 ILE 7 9.460 3.955 -1.959
54 HD11 ILE 7 1HD1 ILE 7 12.218 2.605 0.082
55 HD12 ILE 7 2HD1 ILE 7 12.499 1.172 -0.908
56 HD13 ILE 7 3HD1 ILE 7 12.467 1.038 0.851
57 HA PRO 8 HA PRO 8 7.202 3.719 -0.193
58 HB2 PRO 8 2HB PRO 8 4.867 5.257 -0.829
59 HB3 PRO 8 1HB PRO 8 6.518 5.844 -0.647
60 HG2 PRO 8 2HG PRO 8 5.130 5.851 -3.027
61 HG3 PRO 8 1HG PRO 8 6.896 5.839 -2.904
62 HD2 PRO 8 2HD PRO 8 5.017 3.549 -3.375
63 HD3 PRO 8 1HD PRO 8 6.571 3.915 -4.161
64 HA PRO 9 HA PRO 9 3.799 1.252 1.334
65 HB2 PRO 9 2HB PRO 9 3.551 2.201 3.859
66 HB3 PRO 9 1HB PRO 9 4.916 1.198 3.363
67 HG2 PRO 9 2HG PRO 9 4.787 4.141 3.783
68 HG3 PRO 9 1HG PRO 9 6.122 3.021 4.093
69 HD2 PRO 9 2HD PRO 9 5.897 4.690 1.873
70 HD3 PRO 9 1HD PRO 9 6.939 3.260 1.976
71 H ILE 10 H ILE 10 2.109 1.932 0.083
72 HA ILE 10 HA ILE 10 0.611 4.279 1.003
73 HB ILE 10 HB ILE 10 0.599 2.984 -1.749
74 HG12 ILE 10 2HG1 ILE 10 1.823 5.616 -0.874
75 HG13 ILE 10 1HG1 ILE 10 2.729 4.151 -1.221
76 HG21 ILE 10 1HG2 ILE 10 -1.539 4.038 -1.171
77 HG22 ILE 10 2HG2 ILE 10 -0.710 4.956 -2.428
78 HG23 ILE 10 3HG2 ILE 10 -0.698 5.535 -0.762
79 HD11 ILE 10 1HD1 ILE 10 1.987 4.243 -3.535
80 HD12 ILE 10 2HD1 ILE 10 2.814 5.732 -3.069
81 HD13 ILE 10 3HD1 ILE 10 1.054 5.695 -3.185
82 H ALA 11 H PRG 11 -1.265 3.787 1.951
83 HA ALA 11 HA PRG 11 -2.323 1.163 1.329
84 HB1 ALA 11 1HB PRG 11 -3.364 1.077 3.516
85 HB2 ALA 11 2HB PRG 11 -2.729 2.632 3.964
86 H PHE 12 H PHE 12 -4.249 0.901 0.775
87 HA PHE 12 HA PHE 12 -5.822 3.287 0.094
88 HB2 PHE 12 2HB PHE 12 -5.939 0.524 -1.147
89 HB3 PHE 12 1HB PHE 12 -6.785 1.947 -1.695
90 HD1 PHE 12 1HD PHE 12 -5.836 3.364 -3.293
91 HD2 PHE 12 2HD PHE 12 -3.358 0.516 -1.328
92 HE1 PHE 12 1HE PHE 12 -4.004 3.861 -4.867
93 HE2 PHE 12 2HE PHE 12 -1.532 1.015 -2.893
94 HZ PHE 12 HZ PHE 12 -1.856 2.691 -4.666
95 HA PRO 13 HA PRO 13 -8.685 1.685 3.232
96 HB2 PRO 13 2HB PRO 13 -10.674 3.223 1.653
97 HB3 PRO 13 1HB PRO 13 -10.295 3.317 3.375
98 HG2 PRO 13 2HG PRO 13 -9.480 5.223 1.727
99 HG3 PRO 13 1HG PRO 13 -8.417 4.644 3.023
100 HD2 PRO 13 2HD PRO 13 -8.355 4.029 0.094
101 HD3 PRO 13 1HD PRO 13 -7.022 4.364 1.217
102 H ASP 14 H ASP 14 -8.625 0.769 0.113
103 HA ASP 14 HA ASP 14 -11.082 -0.767 0.029
104 HB2 ASP 14 2HB ASP 14 -8.714 -0.587 -1.831
105 HB3 ASP 14 1HB ASP 14 -10.041 -1.713 -2.080
106 H1 WMH 101 1HG AZH 3 -2.579 -1.495 4.442
107 H2 WMH 101 2HG AZH 3 -2.701 -0.713 2.912
108 H5 WMH 101 HD PRG 11 0.004 2.787 4.349
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -8.073 -1.104 1.217
2 HA2 GLY 1 2HA GLY 1 -7.441 -2.976 2.576
3 HA3 GLY 1 1HA GLY 1 -8.388 -4.014 1.505
4 H ARG 2 H ARG 2 -6.045 -1.474 0.810
5 HA ARG 2 HA ARG 2 -4.368 -3.477 -0.501
6 HB2 ARG 2 2HB ARG 2 -5.817 -2.526 -2.238
7 HB3 ARG 2 1HB ARG 2 -5.334 -0.910 -1.781
8 HG2 ARG 2 2HG ARG 2 -4.223 -1.536 -3.823
9 HG3 ARG 2 1HG ARG 2 -3.032 -1.406 -2.537
10 HD2 ARG 2 2HD ARG 2 -4.265 -4.035 -3.313
11 HD3 ARG 2 1HD ARG 2 -2.861 -3.400 -4.157
12 HE ARG 2 HE ARG 2 -1.792 -3.386 -1.866
13 HH11 ARG 2 1HH1 ARG 2 -4.311 -5.757 -2.711
14 HH12 ARG 2 2HH1 ARG 2 -3.661 -6.970 -1.713
15 HH21 ARG 2 1HH2 ARG 2 -0.936 -5.080 -0.508
16 HH22 ARG 2 2HH2 ARG 2 -1.747 -6.586 -0.440
17 H ALA 3 H AZH 3 -2.660 -3.332 0.737
18 HA ALA 3 HA AZH 3 -1.366 -0.726 1.036
19 HB2 ALA 3 1HB AZH 3 -0.215 -2.117 3.017
20 HB3 ALA 3 2HB AZH 3 -1.771 -2.931 2.992
21 H THR 4 H THR 4 0.729 -0.594 0.436
22 HA THR 4 HA THR 4 1.845 -3.012 -0.670
23 HB THR 4 HB THR 4 3.501 -1.440 -1.708
24 HG1 THR 4 1HG THR 4 3.348 0.674 -1.403
25 HG21 THR 4 1HG2 THR 4 1.953 -0.521 -3.396
26 HG22 THR 4 2HG2 THR 4 0.601 -0.835 -2.312
27 HG23 THR 4 3HG2 THR 4 1.528 -2.179 -2.972
28 H LYS 5 H LYS 5 3.644 -3.863 0.158
29 HA LYS 5 HA LYS 5 4.541 -2.800 2.734
30 HB2 LYS 5 2HB LYS 5 5.063 -5.477 1.429
31 HB3 LYS 5 1HB LYS 5 5.556 -5.023 3.056
32 HG2 LYS 5 2HG LYS 5 3.196 -4.774 3.687
33 HG3 LYS 5 1HG LYS 5 2.721 -5.262 2.065
34 HD2 LYS 5 2HD LYS 5 4.271 -6.945 4.031
35 HD3 LYS 5 1HD LYS 5 2.554 -7.112 3.671
36 HE2 LYS 5 2HE LYS 5 3.158 -7.590 1.300
37 HE3 LYS 5 1HE LYS 5 4.855 -7.535 1.771
38 HZ1 LYS 5 1HZ LYS 5 4.446 -9.406 3.275
39 HZ2 LYS 5 2HZ LYS 5 4.074 -9.789 1.689
40 HZ3 LYS 5 3HZ LYS 5 2.835 -9.476 2.763
41 H SER 6 H SER 6 5.252 -2.630 -0.391
42 HA SER 6 HA SER 6 8.142 -2.483 -0.052
43 HB2 SER 6 2HB SER 6 6.475 -2.409 -2.577
44 HB3 SER 6 1HB SER 6 8.223 -2.634 -2.450
45 HG SER 6 HG SER 6 7.652 -4.552 -1.142
46 H ILE 7 H ILE 7 9.149 -0.538 -1.005
47 HA ILE 7 HA ILE 7 7.779 1.802 -0.111
48 HB ILE 7 HB ILE 7 10.515 1.434 -1.364
49 HG12 ILE 7 2HG1 ILE 7 9.696 1.844 1.519
50 HG13 ILE 7 1HG1 ILE 7 10.185 0.312 0.810
51 HG21 ILE 7 1HG2 ILE 7 11.050 3.675 -0.539
52 HG22 ILE 7 2HG2 ILE 7 9.391 3.868 0.022
53 HG23 ILE 7 3HG2 ILE 7 9.725 3.729 -1.706
54 HD11 ILE 7 1HD1 ILE 7 11.983 1.304 2.086
55 HD12 ILE 7 2HD1 ILE 7 11.900 2.766 1.105
56 HD13 ILE 7 3HD1 ILE 7 12.403 1.240 0.374
57 HA PRO 8 HA PRO 8 7.254 3.729 -0.261
58 HB2 PRO 8 2HB PRO 8 5.069 5.220 -1.375
59 HB3 PRO 8 1HB PRO 8 6.686 5.804 -0.983
60 HG2 PRO 8 2HG PRO 8 5.698 5.621 -3.544
61 HG3 PRO 8 1HG PRO 8 7.420 5.590 -3.139
62 HD2 PRO 8 2HD PRO 8 5.569 3.306 -3.710
63 HD3 PRO 8 1HD PRO 8 7.236 3.562 -4.272
64 HA PRO 9 HA PRO 9 3.810 1.134 0.901
65 HB2 PRO 9 2HB PRO 9 3.551 1.955 3.492
66 HB3 PRO 9 1HB PRO 9 4.806 0.835 2.955
67 HG2 PRO 9 2HG PRO 9 4.992 3.752 3.535
68 HG3 PRO 9 1HG PRO 9 6.173 2.471 3.845
69 HD2 PRO 9 2HD PRO 9 6.324 4.232 1.746
70 HD3 PRO 9 1HD PRO 9 7.052 2.614 1.738
71 H ILE 10 H ILE 10 2.089 1.813 -0.166
72 HA ILE 10 HA ILE 10 0.687 4.198 0.792
73 HB ILE 10 HB ILE 10 -0.425 4.283 -1.432
74 HG12 ILE 10 2HG1 ILE 10 1.503 2.054 -2.176
75 HG13 ILE 10 1HG1 ILE 10 -0.237 1.885 -2.019
76 HG21 ILE 10 1HG2 ILE 10 2.590 4.298 -1.548
77 HG22 ILE 10 2HG2 ILE 10 1.558 5.635 -1.046
78 HG23 ILE 10 3HG2 ILE 10 1.523 5.072 -2.717
79 HD11 ILE 10 1HD1 ILE 10 1.207 3.562 -4.060
80 HD12 ILE 10 2HD1 ILE 10 -0.542 3.420 -3.909
81 HD13 ILE 10 3HD1 ILE 10 0.422 2.009 -4.349
82 H ALA 11 H PRG 11 -1.499 4.002 1.317
83 HA ALA 11 HA PRG 11 -2.483 1.274 1.224
84 HB1 ALA 11 1HB PRG 11 -3.287 1.314 3.488
85 HB2 ALA 11 2HB PRG 11 -2.678 2.914 3.784
86 H PHE 12 H PHE 12 -4.456 0.976 0.911
87 HA PHE 12 HA PHE 12 -6.216 3.300 0.509
88 HB2 PHE 12 2HB PHE 12 -6.153 0.688 -1.012
89 HB3 PHE 12 1HB PHE 12 -7.294 1.991 -1.276
90 HD1 PHE 12 1HD PHE 12 -3.761 0.990 -1.617
91 HD2 PHE 12 2HD PHE 12 -6.731 3.873 -2.569
92 HE1 PHE 12 1HE PHE 12 -2.250 1.994 -3.271
93 HE2 PHE 12 2HE PHE 12 -5.236 4.878 -4.217
94 HZ PHE 12 HZ PHE 12 -2.982 3.945 -4.573
95 HA PRO 13 HA PRO 13 -8.722 1.298 3.680
96 HB2 PRO 13 2HB PRO 13 -10.889 2.764 2.252
97 HB3 PRO 13 1HB PRO 13 -10.493 2.729 3.975
98 HG2 PRO 13 2HG PRO 13 -9.858 4.850 2.529
99 HG3 PRO 13 1HG PRO 13 -8.738 4.215 3.746
100 HD2 PRO 13 2HD PRO 13 -8.634 3.943 0.766
101 HD3 PRO 13 1HD PRO 13 -7.324 4.204 1.936
102 H ASP 14 H ASP 14 -9.149 1.019 0.316
103 HA ASP 14 HA ASP 14 -11.285 -0.820 0.065
104 HB2 ASP 14 2HB ASP 14 -8.767 -0.628 -1.620
105 HB3 ASP 14 1HB ASP 14 -10.237 -1.471 -2.073
106 H1 WMH 101 1HG AZH 3 -2.324 -1.176 4.494
107 H2 WMH 101 2HG AZH 3 -2.632 -0.475 2.950
108 H5 WMH 101 HD PRG 11 0.035 3.195 3.955
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -8.039 -1.097 1.373
2 HA2 GLY 1 2HA GLY 1 -7.569 -2.749 3.166
3 HA3 GLY 1 1HA GLY 1 -8.636 -3.839 2.285
4 H ARG 2 H ARG 2 -6.210 -1.653 0.955
5 HA ARG 2 HA ARG 2 -4.614 -3.962 0.128
6 HB2 ARG 2 2HB ARG 2 -5.444 -1.645 -1.653
7 HB3 ARG 2 1HB ARG 2 -4.254 -2.856 -2.089
8 HG2 ARG 2 2HG ARG 2 -7.154 -3.455 -1.503
9 HG3 ARG 2 1HG ARG 2 -6.499 -3.166 -3.114
10 HD2 ARG 2 2HD ARG 2 -5.604 -5.364 -1.253
11 HD3 ARG 2 1HD ARG 2 -6.754 -5.566 -2.571
12 HE ARG 2 HE ARG 2 -4.372 -4.412 -3.539
13 HH11 ARG 2 1HH1 ARG 2 -5.633 -7.541 -2.446
14 HH12 ARG 2 2HH1 ARG 2 -4.526 -8.459 -3.356
15 HH21 ARG 2 1HH2 ARG 2 -2.855 -5.713 -4.833
16 HH22 ARG 2 2HH2 ARG 2 -2.945 -7.414 -4.710
17 H ALA 3 H AZH 3 -2.503 -3.636 0.517
18 HA ALA 3 HA AZH 3 -1.413 -0.942 0.797
19 HB2 ALA 3 1HB AZH 3 -0.131 -2.076 2.852
20 HB3 ALA 3 2HB AZH 3 -1.638 -2.967 2.970
21 H THR 4 H THR 4 0.596 -0.750 -0.043
22 HA THR 4 HA THR 4 1.748 -3.109 -1.169
23 HB THR 4 HB THR 4 3.475 -1.526 -2.057
24 HG1 THR 4 1HG THR 4 3.730 0.239 -1.035
25 HG21 THR 4 1HG2 THR 4 0.630 -0.616 -2.492
26 HG22 THR 4 2HG2 THR 4 1.448 -1.913 -3.365
27 HG23 THR 4 3HG2 THR 4 1.996 -0.246 -3.541
28 H LYS 5 H LYS 5 3.608 -4.063 -0.490
29 HA LYS 5 HA LYS 5 4.485 -3.370 2.192
30 HB2 LYS 5 2HB LYS 5 5.208 -5.729 0.446
31 HB3 LYS 5 1HB LYS 5 5.695 -5.519 2.123
32 HG2 LYS 5 2HG LYS 5 3.317 -5.551 2.783
33 HG3 LYS 5 1HG LYS 5 2.883 -5.856 1.104
34 HD2 LYS 5 2HD LYS 5 4.168 -7.936 1.150
35 HD3 LYS 5 1HD LYS 5 4.615 -7.629 2.828
36 HE2 LYS 5 2HE LYS 5 2.210 -7.616 3.407
37 HE3 LYS 5 1HE LYS 5 1.839 -8.067 1.746
38 HZ1 LYS 5 1HZ LYS 5 3.127 -10.098 2.062
39 HZ2 LYS 5 2HZ LYS 5 1.872 -9.990 3.179
40 HZ3 LYS 5 3HZ LYS 5 3.447 -9.659 3.663
41 H SER 6 H SER 6 5.192 -2.606 -0.853
42 HA SER 6 HA SER 6 8.057 -2.273 -0.495
43 HB2 SER 6 2HB SER 6 6.274 -1.644 -2.847
44 HB3 SER 6 1HB SER 6 8.041 -1.671 -2.848
45 HG SER 6 HG SER 6 7.960 -3.869 -2.412
46 H ILE 7 H ILE 7 8.854 -0.381 0.103
47 HA ILE 7 HA ILE 7 7.161 1.890 0.627
48 HB ILE 7 HB ILE 7 10.131 1.374 1.029
49 HG12 ILE 7 2HG1 ILE 7 7.853 1.497 3.016
50 HG13 ILE 7 1HG1 ILE 7 8.607 0.022 2.426
51 HG21 ILE 7 1HG2 ILE 7 8.554 3.758 2.018
52 HG22 ILE 7 2HG2 ILE 7 9.753 3.777 0.729
53 HG23 ILE 7 3HG2 ILE 7 10.235 3.379 2.377
54 HD11 ILE 7 1HD1 ILE 7 9.928 2.176 4.060
55 HD12 ILE 7 2HD1 ILE 7 10.702 0.697 3.487
56 HD13 ILE 7 3HD1 ILE 7 9.379 0.606 4.650
57 HA PRO 8 HA PRO 8 7.166 4.320 0.568
58 HB2 PRO 8 2HB PRO 8 5.524 5.418 -1.617
59 HB3 PRO 8 1HB PRO 8 6.445 6.267 -0.372
60 HG2 PRO 8 2HG PRO 8 7.258 6.260 -2.914
61 HG3 PRO 8 1HG PRO 8 8.419 6.173 -1.577
62 HD2 PRO 8 2HD PRO 8 7.347 3.960 -3.292
63 HD3 PRO 8 1HD PRO 8 9.026 4.291 -2.818
64 HA PRO 9 HA PRO 9 3.838 1.323 0.443
65 HB2 PRO 9 2HB PRO 9 2.969 2.199 3.039
66 HB3 PRO 9 1HB PRO 9 3.828 0.719 2.624
67 HG2 PRO 9 2HG PRO 9 4.901 2.782 4.089
68 HG3 PRO 9 1HG PRO 9 5.844 1.591 3.177
69 HD2 PRO 9 2HD PRO 9 5.126 4.397 2.472
70 HD3 PRO 9 1HD PRO 9 6.617 3.474 2.166
71 H ILE 10 H ILE 10 2.092 1.687 -0.620
72 HA ILE 10 HA ILE 10 0.536 4.112 -0.124
73 HB ILE 10 HB ILE 10 0.590 2.284 -2.555
74 HG12 ILE 10 2HG1 ILE 10 1.655 5.101 -2.216
75 HG13 ILE 10 1HG1 ILE 10 2.642 3.649 -2.279
76 HG21 ILE 10 1HG2 ILE 10 -1.613 3.287 -2.219
77 HG22 ILE 10 2HG2 ILE 10 -0.820 3.993 -3.626
78 HG23 ILE 10 3HG2 ILE 10 -0.882 4.888 -2.109
79 HD11 ILE 10 1HD1 ILE 10 0.919 4.725 -4.501
80 HD12 ILE 10 2HD1 ILE 10 1.907 3.265 -4.580
81 HD13 ILE 10 3HD1 ILE 10 2.675 4.841 -4.392
82 H ALA 11 H PRG 11 -1.328 3.784 0.947
83 HA ALA 11 HA PRG 11 -2.386 1.080 0.838
84 HB1 ALA 11 1HB PRG 11 -3.240 1.296 3.078
85 HB2 ALA 11 2HB PRG 11 -2.628 2.912 3.258
86 H PHE 12 H PHE 12 -4.390 0.781 0.569
87 HA PHE 12 HA PHE 12 -6.040 3.095 -0.156
88 HB2 PHE 12 2HB PHE 12 -6.229 0.235 -1.137
89 HB3 PHE 12 1HB PHE 12 -7.165 1.601 -1.717
90 HD1 PHE 12 1HD PHE 12 -3.975 -0.149 -1.884
91 HD2 PHE 12 2HD PHE 12 -6.111 3.305 -3.145
92 HE1 PHE 12 1HE PHE 12 -2.293 0.255 -3.621
93 HE2 PHE 12 2HE PHE 12 -4.435 3.710 -4.881
94 HZ PHE 12 HZ PHE 12 -2.519 2.186 -5.124
95 HA PRO 13 HA PRO 13 -8.311 1.906 3.585
96 HB2 PRO 13 2HB PRO 13 -10.483 3.278 2.060
97 HB3 PRO 13 1HB PRO 13 -9.984 3.492 3.745
98 HG2 PRO 13 2HG PRO 13 -9.262 5.295 1.977
99 HG3 PRO 13 1HG PRO 13 -8.078 4.711 3.158
100 HD2 PRO 13 2HD PRO 13 -8.367 3.996 0.264
101 HD3 PRO 13 1HD PRO 13 -6.898 4.309 1.213
102 H ASP 14 H ASP 14 -9.130 1.024 0.415
103 HA ASP 14 HA ASP 14 -11.404 -0.592 0.644
104 HB2 ASP 14 2HB ASP 14 -8.955 -1.024 -1.075
105 HB3 ASP 14 1HB ASP 14 -10.555 -1.688 -1.363
106 H1 WMH 101 1HG AZH 3 -2.287 -1.121 4.286
107 H2 WMH 101 2HG AZH 3 -2.584 -0.521 2.698
108 H5 WMH 101 HD PRG 11 0.066 3.211 3.485
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -8.248 -0.999 1.321
2 HA2 GLY 1 2HA GLY 1 -7.997 -2.689 3.046
3 HA3 GLY 1 1HA GLY 1 -8.894 -3.797 2.013
4 H ARG 2 H ARG 2 -6.343 -1.607 1.018
5 HA ARG 2 HA ARG 2 -4.626 -3.915 0.429
6 HB2 ARG 2 2HB ARG 2 -5.331 -1.601 -1.363
7 HB3 ARG 2 1HB ARG 2 -3.912 -2.597 -1.618
8 HG2 ARG 2 2HG ARG 2 -5.252 -4.518 -2.040
9 HG3 ARG 2 1HG ARG 2 -6.714 -3.671 -1.530
10 HD2 ARG 2 2HD ARG 2 -6.430 -3.853 -4.004
11 HD3 ARG 2 1HD ARG 2 -6.607 -2.204 -3.410
12 HE ARG 2 HE ARG 2 -3.870 -2.985 -3.644
13 HH11 ARG 2 1HH1 ARG 2 -6.630 -1.829 -5.506
14 HH12 ARG 2 2HH1 ARG 2 -5.685 -1.051 -6.691
15 HH21 ARG 2 1HH2 ARG 2 -2.578 -1.937 -5.257
16 HH22 ARG 2 2HH2 ARG 2 -3.315 -1.153 -6.573
17 H ALA 3 H AZH 3 -2.497 -3.598 0.802
18 HA ALA 3 HA AZH 3 -1.443 -0.970 1.302
19 HB2 ALA 3 1HB AZH 3 -0.336 -2.178 3.441
20 HB3 ALA 3 2HB AZH 3 -1.887 -3.013 3.402
21 H THR 4 H THR 4 0.598 -0.806 0.672
22 HA THR 4 HA THR 4 1.708 -3.169 -0.558
23 HB THR 4 HB THR 4 3.283 -1.392 -1.557
24 HG1 THR 4 1HG THR 4 1.248 0.418 -1.095
25 HG21 THR 4 1HG2 THR 4 1.619 -0.757 -3.246
26 HG22 THR 4 2HG2 THR 4 0.325 -1.261 -2.161
27 HG23 THR 4 3HG2 THR 4 1.444 -2.460 -2.814
28 H LYS 5 H LYS 5 3.707 -3.935 -0.144
29 HA LYS 5 HA LYS 5 5.045 -2.917 2.243
30 HB2 LYS 5 2HB LYS 5 5.165 -5.643 0.920
31 HB3 LYS 5 1HB LYS 5 6.194 -5.171 2.264
32 HG2 LYS 5 2HG LYS 5 4.241 -4.828 3.674
33 HG3 LYS 5 1HG LYS 5 3.182 -5.238 2.332
34 HD2 LYS 5 2HD LYS 5 4.060 -7.507 2.302
35 HD3 LYS 5 1HD LYS 5 5.215 -7.097 3.574
36 HE2 LYS 5 2HE LYS 5 3.402 -6.650 5.120
37 HE3 LYS 5 1HE LYS 5 2.215 -6.944 3.853
38 HZ1 LYS 5 1HZ LYS 5 4.112 -8.985 4.886
39 HZ2 LYS 5 2HZ LYS 5 2.814 -9.257 3.820
40 HZ3 LYS 5 3HZ LYS 5 2.531 -8.793 5.406
41 H SER 6 H SER 6 5.061 -2.338 -0.760
42 HA SER 6 HA SER 6 7.880 -2.414 -1.393
43 HB2 SER 6 2HB SER 6 5.529 -1.138 -2.820
44 HB3 SER 6 1HB SER 6 7.132 -1.408 -3.505
45 HG SER 6 HG SER 6 6.808 -3.595 -3.356
46 H ILE 7 H ILE 7 8.748 -0.148 -2.168
47 HA ILE 7 HA ILE 7 8.030 1.775 -0.081
48 HB ILE 7 HB ILE 7 10.520 1.715 -1.812
49 HG12 ILE 7 2HG1 ILE 7 10.487 -0.218 -0.287
50 HG13 ILE 7 1HG1 ILE 7 11.736 0.929 0.178
51 HG21 ILE 7 1HG2 ILE 7 9.973 3.947 -1.044
52 HG22 ILE 7 2HG2 ILE 7 11.406 3.347 -0.203
53 HG23 ILE 7 3HG2 ILE 7 9.849 3.367 0.618
54 HD11 ILE 7 1HD1 ILE 7 9.051 0.587 1.473
55 HD12 ILE 7 2HD1 ILE 7 10.272 1.767 1.945
56 HD13 ILE 7 3HD1 ILE 7 10.600 0.041 2.119
57 HA PRO 8 HA PRO 8 7.444 3.567 0.369
58 HB2 PRO 8 2HB PRO 8 5.603 5.462 0.343
59 HB3 PRO 8 1HB PRO 8 7.257 5.820 -0.172
60 HG2 PRO 8 2HG PRO 8 4.816 5.355 -1.824
61 HG3 PRO 8 1HG PRO 8 6.121 6.528 -2.063
62 HD2 PRO 8 2HD PRO 8 5.904 4.061 -3.352
63 HD3 PRO 8 1HD PRO 8 7.382 5.029 -3.227
64 HA PRO 9 HA PRO 9 3.822 1.077 1.090
65 HB2 PRO 9 2HB PRO 9 3.275 1.737 3.677
66 HB3 PRO 9 1HB PRO 9 4.592 0.656 3.218
67 HG2 PRO 9 2HG PRO 9 4.679 3.534 3.973
68 HG3 PRO 9 1HG PRO 9 5.835 2.243 4.345
69 HD2 PRO 9 2HD PRO 9 6.210 4.118 2.384
70 HD3 PRO 9 1HD PRO 9 6.934 2.499 2.351
71 H ILE 10 H ILE 10 2.281 1.855 -0.136
72 HA ILE 10 HA ILE 10 0.696 4.169 0.737
73 HB ILE 10 HB ILE 10 0.690 2.723 -1.943
74 HG12 ILE 10 2HG1 ILE 10 1.862 5.420 -1.231
75 HG13 ILE 10 1HG1 ILE 10 2.802 3.958 -1.502
76 HG21 ILE 10 1HG2 ILE 10 -0.651 4.637 -2.726
77 HG22 ILE 10 2HG2 ILE 10 -0.658 5.294 -1.090
78 HG23 ILE 10 3HG2 ILE 10 -1.459 3.762 -1.425
79 HD11 ILE 10 1HD1 ILE 10 2.009 3.907 -3.823
80 HD12 ILE 10 2HD1 ILE 10 2.844 5.412 -3.445
81 HD13 ILE 10 3HD1 ILE 10 1.082 5.375 -3.529
82 H ALA 11 H PRG 11 -1.316 3.773 1.494
83 HA ALA 11 HA PRG 11 -2.290 1.043 1.197
84 HB1 ALA 11 1HB PRG 11 -3.409 1.250 3.336
85 HB2 ALA 11 2HB PRG 11 -2.817 2.865 3.581
86 H PHE 12 H PHE 12 -4.406 0.753 0.878
87 HA PHE 12 HA PHE 12 -5.870 3.096 -0.113
88 HB2 PHE 12 2HB PHE 12 -5.952 0.269 -1.220
89 HB3 PHE 12 1HB PHE 12 -6.857 1.641 -1.830
90 HD1 PHE 12 1HD PHE 12 -5.702 3.465 -3.031
91 HD2 PHE 12 2HD PHE 12 -3.642 -0.060 -1.805
92 HE1 PHE 12 1HE PHE 12 -3.856 4.002 -4.560
93 HE2 PHE 12 2HE PHE 12 -1.802 0.478 -3.326
94 HZ PHE 12 HZ PHE 12 -1.901 2.514 -4.709
95 HA PRO 13 HA PRO 13 -8.727 1.926 3.101
96 HB2 PRO 13 2HB PRO 13 -10.982 3.119 2.041
97 HB3 PRO 13 1HB PRO 13 -9.738 3.975 2.957
98 HG2 PRO 13 2HG PRO 13 -10.098 3.759 -0.004
99 HG3 PRO 13 1HG PRO 13 -9.655 5.174 0.968
100 HD2 PRO 13 2HD PRO 13 -7.829 3.810 -0.419
101 HD3 PRO 13 1HD PRO 13 -7.447 4.487 1.179
102 H ASP 14 H ASP 14 -8.994 0.976 -0.125
103 HA ASP 14 HA ASP 14 -11.325 -0.620 -0.118
104 HB2 ASP 14 2HB ASP 14 -8.781 -1.012 -1.706
105 HB3 ASP 14 1HB ASP 14 -10.336 -1.738 -2.060
106 H1 WMH 101 1HG AZH 3 -2.575 -1.148 4.711
107 H2 WMH 101 2HG AZH 3 -2.743 -0.567 3.104
108 H5 WMH 101 HD PRG 11 -0.107 3.137 4.024
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -8.154 -0.788 1.677
2 HA2 GLY 1 2HA GLY 1 -7.644 -2.162 3.529
3 HA3 GLY 1 1HA GLY 1 -8.661 -3.425 2.843
4 H ARG 2 H ARG 2 -6.312 -1.571 1.094
5 HA ARG 2 HA ARG 2 -4.732 -4.010 0.692
6 HB2 ARG 2 2HB ARG 2 -5.353 -1.858 -1.346
7 HB3 ARG 2 1HB ARG 2 -4.326 -3.261 -1.594
8 HG2 ARG 2 2HG ARG 2 -6.208 -4.743 -1.387
9 HG3 ARG 2 1HG ARG 2 -7.268 -3.391 -0.980
10 HD2 ARG 2 2HD ARG 2 -7.550 -4.027 -3.313
11 HD3 ARG 2 1HD ARG 2 -6.860 -2.413 -3.191
12 HE ARG 2 HE ARG 2 -4.712 -4.085 -3.404
13 HH11 ARG 2 1HH1 ARG 2 -7.520 -3.338 -5.425
14 HH12 ARG 2 2HH1 ARG 2 -6.754 -3.770 -6.878
15 HH21 ARG 2 1HH2 ARG 2 -3.686 -4.724 -5.391
16 HH22 ARG 2 2HH2 ARG 2 -4.524 -4.603 -6.862
17 H ALA 3 H AZH 3 -2.582 -3.735 0.979
18 HA ALA 3 HA AZH 3 -1.475 -1.054 1.116
19 HB2 ALA 3 1HB AZH 3 -0.201 -2.139 3.205
20 HB3 ALA 3 2HB AZH 3 -1.724 -3.008 3.342
21 H THR 4 H THR 4 0.552 -0.905 0.291
22 HA THR 4 HA THR 4 1.559 -3.309 -0.912
23 HB THR 4 HB THR 4 3.128 -1.776 -2.079
24 HG1 THR 4 1HG THR 4 3.387 0.179 -1.447
25 HG21 THR 4 1HG2 THR 4 0.916 -2.216 -3.053
26 HG22 THR 4 2HG2 THR 4 1.448 -0.572 -3.411
27 HG23 THR 4 3HG2 THR 4 0.250 -0.858 -2.148
28 H LYS 5 H LYS 5 3.683 -4.053 -0.617
29 HA LYS 5 HA LYS 5 4.826 -3.386 1.977
30 HB2 LYS 5 2HB LYS 5 5.433 -5.664 0.084
31 HB3 LYS 5 1HB LYS 5 6.211 -5.401 1.639
32 HG2 LYS 5 2HG LYS 5 4.037 -5.673 2.758
33 HG3 LYS 5 1HG LYS 5 3.288 -5.970 1.192
34 HD2 LYS 5 2HD LYS 5 3.716 -8.072 2.326
35 HD3 LYS 5 1HD LYS 5 4.734 -7.942 0.892
36 HE2 LYS 5 2HE LYS 5 6.002 -8.847 2.767
37 HE3 LYS 5 1HE LYS 5 6.630 -7.272 2.317
38 HZ1 LYS 5 1HZ LYS 5 6.449 -7.507 4.710
39 HZ2 LYS 5 2HZ LYS 5 4.807 -7.822 4.600
40 HZ3 LYS 5 3HZ LYS 5 5.406 -6.305 4.178
41 H SER 6 H SER 6 5.089 -2.491 -1.133
42 HA SER 6 HA SER 6 7.928 -2.176 -1.378
43 HB2 SER 6 2HB SER 6 5.679 -0.872 -2.913
44 HB3 SER 6 1HB SER 6 7.353 -1.056 -3.440
45 HG SER 6 HG SER 6 7.054 -3.256 -3.442
46 H ILE 7 H ILE 7 8.956 -0.060 -1.403
47 HA ILE 7 HA ILE 7 7.695 1.848 0.411
48 HB ILE 7 HB ILE 7 10.563 1.648 -0.585
49 HG12 ILE 7 2HG1 ILE 7 9.977 -0.123 1.006
50 HG13 ILE 7 1HG1 ILE 7 11.141 0.993 1.709
51 HG21 ILE 7 1HG2 ILE 7 11.144 3.394 1.023
52 HG22 ILE 7 2HG2 ILE 7 9.447 3.559 1.464
53 HG23 ILE 7 3HG2 ILE 7 9.977 3.978 -0.165
54 HD11 ILE 7 1HD1 ILE 7 9.297 2.067 2.950
55 HD12 ILE 7 2HD1 ILE 7 9.487 0.362 3.341
56 HD13 ILE 7 3HD1 ILE 7 8.181 0.874 2.275
57 HA PRO 8 HA PRO 8 7.276 3.764 0.830
58 HB2 PRO 8 2HB PRO 8 5.433 5.680 0.458
59 HB3 PRO 8 1HB PRO 8 7.163 6.033 0.384
60 HG2 PRO 8 2HG PRO 8 5.197 5.683 -1.831
61 HG3 PRO 8 1HG PRO 8 6.552 6.816 -1.707
62 HD2 PRO 8 2HD PRO 8 6.582 4.427 -3.122
63 HD3 PRO 8 1HD PRO 8 8.020 5.307 -2.578
64 HA PRO 9 HA PRO 9 3.768 1.012 0.634
65 HB2 PRO 9 2HB PRO 9 3.074 1.818 3.357
66 HB3 PRO 9 1HB PRO 9 3.600 0.246 2.763
67 HG2 PRO 9 2HG PRO 9 5.123 1.850 4.311
68 HG3 PRO 9 1HG PRO 9 5.805 0.696 3.149
69 HD2 PRO 9 2HD PRO 9 5.524 3.654 2.959
70 HD3 PRO 9 1HD PRO 9 6.788 2.586 2.314
71 H ILE 10 H ILE 10 2.036 1.553 -0.406
72 HA ILE 10 HA ILE 10 0.622 4.010 0.296
73 HB ILE 10 HB ILE 10 0.287 2.296 -2.193
74 HG12 ILE 10 2HG1 ILE 10 1.869 4.855 -1.868
75 HG13 ILE 10 1HG1 ILE 10 2.575 3.256 -2.044
76 HG21 ILE 10 1HG2 ILE 10 -0.595 5.119 -1.540
77 HG22 ILE 10 2HG2 ILE 10 -1.644 3.705 -1.628
78 HG23 ILE 10 3HG2 ILE 10 -0.845 4.301 -3.082
79 HD11 ILE 10 1HD1 ILE 10 2.648 4.495 -4.127
80 HD12 ILE 10 2HD1 ILE 10 0.894 4.683 -4.091
81 HD13 ILE 10 3HD1 ILE 10 1.607 3.080 -4.278
82 H ALA 11 H PRG 11 -1.292 3.779 1.282
83 HA ALA 11 HA PRG 11 -2.363 1.096 1.224
84 HB1 ALA 11 1HB PRG 11 -3.236 1.357 3.478
85 HB2 ALA 11 2HB PRG 11 -2.534 2.949 3.624
86 H PHE 12 H PHE 12 -4.155 0.786 0.576
87 HA PHE 12 HA PHE 12 -5.728 3.043 -0.419
88 HB2 PHE 12 2HB PHE 12 -5.880 0.122 -1.199
89 HB3 PHE 12 1HB PHE 12 -6.638 1.472 -2.026
90 HD1 PHE 12 1HD PHE 12 -3.634 -0.498 -1.648
91 HD2 PHE 12 2HD PHE 12 -5.198 3.121 -3.244
92 HE1 PHE 12 1HE PHE 12 -1.655 -0.277 -3.069
93 HE2 PHE 12 2HE PHE 12 -3.217 3.349 -4.672
94 HZ PHE 12 HZ PHE 12 -1.433 1.646 -4.585
95 HA PRO 13 HA PRO 13 -8.807 2.475 2.812
96 HB2 PRO 13 2HB PRO 13 -10.587 3.118 0.502
97 HB3 PRO 13 1HB PRO 13 -10.602 3.779 2.139
98 HG2 PRO 13 2HG PRO 13 -9.549 5.201 0.189
99 HG3 PRO 13 1HG PRO 13 -8.732 5.112 1.756
100 HD2 PRO 13 2HD PRO 13 -8.038 3.778 -0.818
101 HD3 PRO 13 1HD PRO 13 -6.979 4.425 0.452
102 H ASP 14 H ASP 14 -8.996 0.889 -0.268
103 HA ASP 14 HA ASP 14 -11.144 -0.887 0.064
104 HB2 ASP 14 2HB ASP 14 -8.567 -1.336 -1.455
105 HB3 ASP 14 1HB ASP 14 -10.057 -2.239 -1.671
106 H1 WMH 101 1HG AZH 3 -2.426 -1.096 4.546
107 H2 WMH 101 2HG AZH 3 -2.579 -0.519 2.933
108 H5 WMH 101 HD PRG 11 0.225 3.080 3.812
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -8.089 -1.010 1.296
2 HA2 GLY 1 2HA GLY 1 -7.487 -2.679 2.913
3 HA3 GLY 1 1HA GLY 1 -8.464 -3.837 2.010
4 H ARG 2 H ARG 2 -6.163 -1.483 0.761
5 HA ARG 2 HA ARG 2 -4.506 -3.732 -0.098
6 HB2 ARG 2 2HB ARG 2 -5.844 -2.783 -2.007
7 HB3 ARG 2 1HB ARG 2 -5.024 -1.249 -1.753
8 HG2 ARG 2 2HG ARG 2 -2.858 -2.365 -2.200
9 HG3 ARG 2 1HG ARG 2 -3.728 -3.858 -2.516
10 HD2 ARG 2 2HD ARG 2 -3.200 -2.777 -4.613
11 HD3 ARG 2 1HD ARG 2 -4.940 -2.755 -4.349
12 HE ARG 2 HE ARG 2 -3.411 -0.421 -3.552
13 HH11 ARG 2 1HH1 ARG 2 -5.509 -1.920 -5.962
14 HH12 ARG 2 2HH1 ARG 2 -6.048 -0.457 -6.658
15 HH21 ARG 2 1HH2 ARG 2 -4.077 1.633 -4.593
16 HH22 ARG 2 2HH2 ARG 2 -5.175 1.584 -5.894
17 H ALA 3 H AZH 3 -2.538 -3.564 0.570
18 HA ALA 3 HA AZH 3 -1.298 -0.982 1.038
19 HB2 ALA 3 1HB AZH 3 -0.314 -2.297 3.154
20 HB3 ALA 3 2HB AZH 3 -1.893 -3.067 3.071
21 H THR 4 H THR 4 0.753 -0.935 0.359
22 HA THR 4 HA THR 4 1.867 -3.439 -0.526
23 HB THR 4 HB THR 4 3.432 -1.782 -1.733
24 HG1 THR 4 1HG THR 4 2.417 0.231 -2.129
25 HG21 THR 4 1HG2 THR 4 1.762 -3.165 -2.875
26 HG22 THR 4 2HG2 THR 4 1.830 -1.557 -3.592
27 HG23 THR 4 3HG2 THR 4 0.511 -1.981 -2.497
28 H LYS 5 H LYS 5 3.786 -4.114 0.197
29 HA LYS 5 HA LYS 5 4.891 -2.833 2.559
30 HB2 LYS 5 2HB LYS 5 5.742 -5.373 1.152
31 HB3 LYS 5 1HB LYS 5 6.235 -4.863 2.759
32 HG2 LYS 5 2HG LYS 5 3.899 -5.061 3.509
33 HG3 LYS 5 1HG LYS 5 3.454 -5.619 1.899
34 HD2 LYS 5 2HD LYS 5 5.015 -7.524 2.180
35 HD3 LYS 5 1HD LYS 5 5.333 -6.972 3.825
36 HE2 LYS 5 2HE LYS 5 2.662 -7.816 2.717
37 HE3 LYS 5 1HE LYS 5 3.669 -8.758 3.813
38 HZ1 LYS 5 1HZ LYS 5 3.395 -6.990 5.474
39 HZ2 LYS 5 2HZ LYS 5 1.919 -7.644 5.018
40 HZ3 LYS 5 3HZ LYS 5 2.391 -6.144 4.419
41 H SER 6 H SER 6 5.254 -2.862 -0.729
42 HA SER 6 HA SER 6 8.077 -2.415 -0.908
43 HB2 SER 6 2HB SER 6 5.932 -1.901 -2.964
44 HB3 SER 6 1HB SER 6 7.651 -2.226 -3.231
45 HG SER 6 HG SER 6 6.921 -4.220 -1.867
46 H ILE 7 H ILE 7 8.978 -0.506 -0.659
47 HA ILE 7 HA ILE 7 7.557 1.786 0.201
48 HB ILE 7 HB ILE 7 10.447 1.537 -0.715
49 HG12 ILE 7 2HG1 ILE 7 9.258 1.427 2.069
50 HG13 ILE 7 1HG1 ILE 7 9.865 0.049 1.165
51 HG21 ILE 7 1HG2 ILE 7 9.700 3.877 -0.727
52 HG22 ILE 7 2HG2 ILE 7 10.878 3.582 0.552
53 HG23 ILE 7 3HG2 ILE 7 9.166 3.714 0.950
54 HD11 ILE 7 1HD1 ILE 7 11.492 2.394 2.125
55 HD12 ILE 7 2HD1 ILE 7 12.113 1.016 1.219
56 HD13 ILE 7 3HD1 ILE 7 11.460 0.783 2.842
57 HA PRO 8 HA PRO 8 7.143 3.813 0.210
58 HB2 PRO 8 2HB PRO 8 5.053 5.367 -1.001
59 HB3 PRO 8 1HB PRO 8 6.591 5.937 -0.359
60 HG2 PRO 8 2HG PRO 8 5.926 5.996 -3.024
61 HG3 PRO 8 1HG PRO 8 7.588 5.949 -2.416
62 HD2 PRO 8 2HD PRO 8 5.884 3.712 -3.448
63 HD3 PRO 8 1HD PRO 8 7.602 4.052 -3.754
64 HA PRO 9 HA PRO 9 3.673 1.043 0.762
65 HB2 PRO 9 2HB PRO 9 3.226 1.541 3.407
66 HB3 PRO 9 1HB PRO 9 4.535 0.503 2.834
67 HG2 PRO 9 2HG PRO 9 4.625 3.339 3.745
68 HG3 PRO 9 1HG PRO 9 5.792 2.036 4.020
69 HD2 PRO 9 2HD PRO 9 6.107 3.992 2.151
70 HD3 PRO 9 1HD PRO 9 6.827 2.374 2.012
71 H ILE 10 H ILE 10 2.110 1.954 -0.396
72 HA ILE 10 HA ILE 10 0.669 4.183 0.780
73 HB ILE 10 HB ILE 10 -0.375 4.480 -1.487
74 HG12 ILE 10 2HG1 ILE 10 1.764 2.507 -2.363
75 HG13 ILE 10 1HG1 ILE 10 0.036 2.192 -2.369
76 HG21 ILE 10 1HG2 ILE 10 1.441 5.900 -0.773
77 HG22 ILE 10 2HG2 ILE 10 1.626 5.536 -2.491
78 HG23 ILE 10 3HG2 ILE 10 2.623 4.704 -1.303
79 HD11 ILE 10 1HD1 ILE 10 1.488 4.237 -4.039
80 HD12 ILE 10 2HD1 ILE 10 -0.255 3.984 -4.035
81 HD13 ILE 10 3HD1 ILE 10 0.817 2.706 -4.605
82 H ALA 11 H PRG 11 -1.277 3.891 1.569
83 HA ALA 11 HA PRG 11 -2.397 1.240 1.127
84 HB1 ALA 11 1HB PRG 11 -3.311 1.258 3.353
85 HB2 ALA 11 2HB PRG 11 -2.666 2.842 3.695
86 H PHE 12 H PHE 12 -4.426 0.984 0.796
87 HA PHE 12 HA PHE 12 -6.022 3.379 0.289
88 HB2 PHE 12 2HB PHE 12 -5.835 0.835 -1.347
89 HB3 PHE 12 1HB PHE 12 -7.089 2.046 -1.581
90 HD1 PHE 12 1HD PHE 12 -3.403 1.567 -1.644
91 HD2 PHE 12 2HD PHE 12 -6.703 3.894 -2.961
92 HE1 PHE 12 1HE PHE 12 -1.919 2.804 -3.165
93 HE2 PHE 12 2HE PHE 12 -5.229 5.141 -4.475
94 HZ PHE 12 HZ PHE 12 -2.830 4.599 -4.581
95 HA PRO 13 HA PRO 13 -8.781 1.845 3.417
96 HB2 PRO 13 2HB PRO 13 -10.866 2.983 1.616
97 HB3 PRO 13 1HB PRO 13 -10.615 3.240 3.347
98 HG2 PRO 13 2HG PRO 13 -9.895 5.103 1.612
99 HG3 PRO 13 1HG PRO 13 -8.868 4.728 3.005
100 HD2 PRO 13 2HD PRO 13 -8.515 3.992 0.138
101 HD3 PRO 13 1HD PRO 13 -7.303 4.434 1.364
102 H ASP 14 H ASP 14 -9.179 0.992 0.097
103 HA ASP 14 HA ASP 14 -11.327 -0.835 0.201
104 HB2 ASP 14 2HB ASP 14 -8.870 -0.913 -1.563
105 HB3 ASP 14 1HB ASP 14 -10.359 -1.801 -1.845
106 H1 WMH 101 1HG AZH 3 -2.485 -1.222 4.434
107 H2 WMH 101 2HG AZH 3 -2.664 -0.583 2.840
108 H5 WMH 101 HD PRG 11 0.074 3.022 3.931
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -7.866 -1.053 1.278
2 HA2 GLY 1 2HA GLY 1 -7.558 -2.556 3.144
3 HA3 GLY 1 1HA GLY 1 -8.527 -3.747 2.270
4 H ARG 2 H ARG 2 -5.921 -1.648 1.229
5 HA ARG 2 HA ARG 2 -4.299 -3.953 0.630
6 HB2 ARG 2 2HB ARG 2 -5.623 -3.644 -1.394
7 HB3 ARG 2 1HB ARG 2 -5.173 -1.951 -1.452
8 HG2 ARG 2 2HG ARG 2 -2.867 -2.533 -1.862
9 HG3 ARG 2 1HG ARG 2 -3.241 -4.248 -1.703
10 HD2 ARG 2 2HD ARG 2 -4.369 -2.373 -3.778
11 HD3 ARG 2 1HD ARG 2 -3.088 -3.552 -4.056
12 HE ARG 2 HE ARG 2 -5.057 -5.089 -3.115
13 HH11 ARG 2 1HH1 ARG 2 -5.087 -2.638 -5.655
14 HH12 ARG 2 2HH1 ARG 2 -6.307 -3.384 -6.578
15 HH21 ARG 2 1HH2 ARG 2 -6.691 -6.121 -4.356
16 HH22 ARG 2 2HH2 ARG 2 -7.275 -5.452 -5.811
17 H ALA 3 H AZH 3 -2.663 -3.402 1.801
18 HA ALA 3 HA AZH 3 -1.465 -0.766 1.421
19 HB2 ALA 3 1HB AZH 3 -0.145 -1.708 3.542
20 HB3 ALA 3 2HB AZH 3 -1.623 -2.644 3.729
21 H THR 4 H THR 4 0.492 -0.667 0.502
22 HA THR 4 HA THR 4 1.417 -3.143 -0.575
23 HB THR 4 HB THR 4 2.981 -1.624 -1.850
24 HG1 THR 4 1HG THR 4 2.700 0.515 -1.714
25 HG21 THR 4 1HG2 THR 4 1.215 -0.749 -3.317
26 HG22 THR 4 2HG2 THR 4 0.021 -1.042 -2.051
27 HG23 THR 4 3HG2 THR 4 0.856 -2.399 -2.804
28 H LYS 5 H LYS 5 3.343 -4.077 -0.162
29 HA LYS 5 HA LYS 5 4.803 -3.092 2.147
30 HB2 LYS 5 2HB LYS 5 5.155 -5.612 0.505
31 HB3 LYS 5 1HB LYS 5 6.119 -5.209 1.919
32 HG2 LYS 5 2HG LYS 5 4.076 -5.230 3.289
33 HG3 LYS 5 1HG LYS 5 3.147 -5.696 1.863
34 HD2 LYS 5 2HD LYS 5 4.474 -7.736 1.668
35 HD3 LYS 5 1HD LYS 5 5.415 -7.270 3.082
36 HE2 LYS 5 2HE LYS 5 3.716 -8.896 3.707
37 HE3 LYS 5 1HE LYS 5 3.369 -7.338 4.451
38 HZ1 LYS 5 1HZ LYS 5 2.070 -8.413 2.005
39 HZ2 LYS 5 2HZ LYS 5 1.710 -6.934 2.725
40 HZ3 LYS 5 3HZ LYS 5 1.372 -8.367 3.533
41 H SER 6 H SER 6 4.754 -2.743 -1.100
42 HA SER 6 HA SER 6 7.502 -2.373 -1.657
43 HB2 SER 6 2HB SER 6 5.047 -1.272 -3.039
44 HB3 SER 6 1HB SER 6 6.674 -1.386 -3.725
45 HG SER 6 HG SER 6 6.475 -3.673 -3.202
46 H ILE 7 H ILE 7 8.604 -0.430 -1.728
47 HA ILE 7 HA ILE 7 7.616 1.579 0.109
48 HB ILE 7 HB ILE 7 10.351 1.137 -1.145
49 HG12 ILE 7 2HG1 ILE 7 9.366 0.601 1.668
50 HG13 ILE 7 1HG1 ILE 7 9.633 -0.623 0.436
51 HG21 ILE 7 1HG2 ILE 7 9.998 3.497 -0.596
52 HG22 ILE 7 2HG2 ILE 7 11.197 2.762 0.468
53 HG23 ILE 7 3HG2 ILE 7 9.560 3.050 1.054
54 HD11 ILE 7 1HD1 ILE 7 11.736 1.148 1.659
55 HD12 ILE 7 2HD1 ILE 7 12.012 -0.084 0.427
56 HD13 ILE 7 3HD1 ILE 7 11.457 -0.552 2.034
57 HA PRO 8 HA PRO 8 7.475 3.589 0.594
58 HB2 PRO 8 2HB PRO 8 5.499 5.582 -0.125
59 HB3 PRO 8 1HB PRO 8 7.094 5.847 0.577
60 HG2 PRO 8 2HG PRO 8 6.436 6.607 -1.958
61 HG3 PRO 8 1HG PRO 8 8.085 6.169 -1.475
62 HD2 PRO 8 2HD PRO 8 6.010 4.508 -2.865
63 HD3 PRO 8 1HD PRO 8 7.737 4.682 -3.245
64 HA PRO 9 HA PRO 9 3.806 1.082 0.990
65 HB2 PRO 9 2HB PRO 9 3.100 1.779 3.569
66 HB3 PRO 9 1HB PRO 9 4.329 0.575 3.166
67 HG2 PRO 9 2HG PRO 9 4.666 3.442 3.937
68 HG3 PRO 9 1HG PRO 9 5.631 2.032 4.407
69 HD2 PRO 9 2HD PRO 9 6.473 3.758 2.528
70 HD3 PRO 9 1HD PRO 9 6.816 2.019 2.418
71 H ILE 10 H ILE 10 2.088 1.671 -0.093
72 HA ILE 10 HA ILE 10 0.711 4.179 0.548
73 HB ILE 10 HB ILE 10 0.566 2.448 -1.959
74 HG12 ILE 10 2HG1 ILE 10 1.828 5.173 -1.559
75 HG13 ILE 10 1HG1 ILE 10 2.706 3.662 -1.745
76 HG21 ILE 10 1HG2 ILE 10 -0.770 4.258 -2.929
77 HG22 ILE 10 2HG2 ILE 10 -0.700 5.138 -1.405
78 HG23 ILE 10 3HG2 ILE 10 -1.555 3.596 -1.493
79 HD11 ILE 10 1HD1 ILE 10 1.812 3.432 -4.011
80 HD12 ILE 10 2HD1 ILE 10 2.710 4.934 -3.805
81 HD13 ILE 10 3HD1 ILE 10 0.944 4.956 -3.817
82 H ALA 11 H PRG 11 -1.388 4.001 1.273
83 HA ALA 11 HA PRG 11 -2.343 1.273 1.366
84 HB1 ALA 11 1HB PRG 11 -3.348 1.617 3.548
85 HB2 ALA 11 2HB PRG 11 -2.758 3.251 3.646
86 H PHE 12 H PHE 12 -4.183 0.849 0.772
87 HA PHE 12 HA PHE 12 -5.822 3.024 -0.309
88 HB2 PHE 12 2HB PHE 12 -5.726 0.092 -1.074
89 HB3 PHE 12 1HB PHE 12 -6.752 1.304 -1.820
90 HD1 PHE 12 1HD PHE 12 -3.339 0.003 -1.533
91 HD2 PHE 12 2HD PHE 12 -5.834 2.896 -3.392
92 HE1 PHE 12 1HE PHE 12 -1.577 0.440 -3.196
93 HE2 PHE 12 2HE PHE 12 -4.074 3.347 -5.059
94 HZ PHE 12 HZ PHE 12 -1.945 2.118 -4.961
95 HA PRO 13 HA PRO 13 -8.838 2.030 2.934
96 HB2 PRO 13 2HB PRO 13 -10.706 3.071 0.857
97 HB3 PRO 13 1HB PRO 13 -10.568 3.530 2.557
98 HG2 PRO 13 2HG PRO 13 -9.624 5.145 0.685
99 HG3 PRO 13 1HG PRO 13 -8.703 4.877 2.177
100 HD2 PRO 13 2HD PRO 13 -8.240 3.760 -0.559
101 HD3 PRO 13 1HD PRO 13 -7.068 4.325 0.652
102 H ASP 14 H ASP 14 -8.782 0.886 -0.236
103 HA ASP 14 HA ASP 14 -10.881 -0.953 -0.463
104 HB2 ASP 14 2HB ASP 14 -9.388 -0.406 -2.319
105 HB3 ASP 14 1HB ASP 14 -8.026 -1.116 -1.468
106 H1 WMH 101 1HG AZH 3 -2.426 -0.724 4.852
107 H2 WMH 101 2HG AZH 3 -2.586 -0.216 3.217
108 H5 WMH 101 HD PRG 11 -0.079 3.581 4.033
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -8.001 -0.932 1.577
2 HA2 GLY 1 2HA GLY 1 -7.582 -2.217 3.620
3 HA3 GLY 1 1HA GLY 1 -8.450 -3.549 2.872
4 H ARG 2 H ARG 2 -6.623 -1.993 0.595
5 HA ARG 2 HA ARG 2 -4.625 -4.123 0.680
6 HB2 ARG 2 2HB ARG 2 -5.885 -3.962 -1.398
7 HB3 ARG 2 1HB ARG 2 -5.477 -2.264 -1.553
8 HG2 ARG 2 2HG ARG 2 -3.145 -2.822 -1.914
9 HG3 ARG 2 1HG ARG 2 -3.492 -4.530 -1.661
10 HD2 ARG 2 2HD ARG 2 -3.300 -3.980 -4.047
11 HD3 ARG 2 1HD ARG 2 -4.911 -4.557 -3.639
12 HE ARG 2 HE ARG 2 -5.240 -1.914 -3.468
13 HH11 ARG 2 1HH1 ARG 2 -3.815 -3.884 -6.051
14 HH12 ARG 2 2HH1 ARG 2 -4.185 -2.760 -7.274
15 HH21 ARG 2 1HH2 ARG 2 -5.778 -0.427 -5.156
16 HH22 ARG 2 2HH2 ARG 2 -5.328 -0.768 -6.759
17 H ALA 3 H AZH 3 -2.629 -3.686 1.306
18 HA ALA 3 HA AZH 3 -1.600 -0.950 1.084
19 HB2 ALA 3 1HB AZH 3 -0.133 -1.907 3.112
20 HB3 ALA 3 2HB AZH 3 -1.586 -2.861 3.363
21 H THR 4 H THR 4 0.342 -0.732 0.095
22 HA THR 4 HA THR 4 1.353 -3.096 -1.130
23 HB THR 4 HB THR 4 2.935 -1.563 -2.302
24 HG1 THR 4 1HG THR 4 3.119 0.452 -1.773
25 HG21 THR 4 1HG2 THR 4 1.243 -0.351 -3.603
26 HG22 THR 4 2HG2 THR 4 0.060 -0.656 -2.331
27 HG23 THR 4 3HG2 THR 4 0.726 -2.001 -3.256
28 H LYS 5 H LYS 5 3.222 -4.127 -0.718
29 HA LYS 5 HA LYS 5 4.457 -3.633 1.852
30 HB2 LYS 5 2HB LYS 5 5.664 -5.741 1.409
31 HB3 LYS 5 1HB LYS 5 3.925 -5.920 1.227
32 HG2 LYS 5 2HG LYS 5 4.198 -5.731 -1.224
33 HG3 LYS 5 1HG LYS 5 5.940 -5.634 -0.986
34 HD2 LYS 5 2HD LYS 5 5.957 -7.846 0.002
35 HD3 LYS 5 1HD LYS 5 4.200 -7.940 -0.130
36 HE2 LYS 5 2HE LYS 5 5.239 -9.169 -1.942
37 HE3 LYS 5 1HE LYS 5 4.381 -7.768 -2.567
38 HZ1 LYS 5 1HZ LYS 5 6.538 -6.606 -2.660
39 HZ2 LYS 5 2HZ LYS 5 6.461 -7.943 -3.650
40 HZ3 LYS 5 3HZ LYS 5 7.317 -8.035 -2.200
41 H SER 6 H SER 6 4.898 -2.263 -1.023
42 HA SER 6 HA SER 6 7.760 -2.297 -1.131
43 HB2 SER 6 2HB SER 6 7.109 -0.594 -3.026
44 HB3 SER 6 1HB SER 6 6.851 -2.324 -3.253
45 HG SER 6 HG SER 6 5.066 -0.311 -3.177
46 H ILE 7 H ILE 7 8.752 -0.014 -1.467
47 HA ILE 7 HA ILE 7 7.590 1.842 0.483
48 HB ILE 7 HB ILE 7 10.553 1.296 0.010
49 HG12 ILE 7 2HG1 ILE 7 8.820 0.773 2.439
50 HG13 ILE 7 1HG1 ILE 7 9.456 -0.449 1.349
51 HG21 ILE 7 1HG2 ILE 7 10.989 2.896 1.817
52 HG22 ILE 7 2HG2 ILE 7 9.266 3.243 1.930
53 HG23 ILE 7 3HG2 ILE 7 10.156 3.665 0.464
54 HD11 ILE 7 1HD1 ILE 7 10.734 -0.360 3.409
55 HD12 ILE 7 2HD1 ILE 7 11.074 1.349 3.147
56 HD13 ILE 7 3HD1 ILE 7 11.736 0.142 2.047
57 HA PRO 8 HA PRO 8 7.400 3.926 0.938
58 HB2 PRO 8 2HB PRO 8 5.586 5.789 0.204
59 HB3 PRO 8 1HB PRO 8 7.301 6.169 0.390
60 HG2 PRO 8 2HG PRO 8 5.739 5.630 -2.103
61 HG3 PRO 8 1HG PRO 8 6.981 6.857 -1.807
62 HD2 PRO 8 2HD PRO 8 7.462 4.507 -3.119
63 HD3 PRO 8 1HD PRO 8 8.698 5.384 -2.200
64 HA PRO 9 HA PRO 9 3.894 1.195 0.556
65 HB2 PRO 9 2HB PRO 9 2.898 1.498 3.081
66 HB3 PRO 9 1HB PRO 9 4.302 0.495 2.711
67 HG2 PRO 9 2HG PRO 9 4.188 3.268 3.808
68 HG3 PRO 9 1HG PRO 9 5.260 1.932 4.258
69 HD2 PRO 9 2HD PRO 9 6.043 3.971 2.650
70 HD3 PRO 9 1HD PRO 9 6.691 2.326 2.500
71 H ILE 10 H ILE 10 2.055 1.607 -0.390
72 HA ILE 10 HA ILE 10 0.626 4.101 0.182
73 HB ILE 10 HB ILE 10 0.535 2.308 -2.273
74 HG12 ILE 10 2HG1 ILE 10 2.643 3.536 -2.184
75 HG13 ILE 10 1HG1 ILE 10 1.626 4.164 -3.474
76 HG21 ILE 10 1HG2 ILE 10 -1.614 3.378 -1.888
77 HG22 ILE 10 2HG2 ILE 10 -0.831 4.061 -3.314
78 HG23 ILE 10 3HG2 ILE 10 -0.828 4.956 -1.796
79 HD11 ILE 10 1HD1 ILE 10 2.760 5.960 -2.302
80 HD12 ILE 10 2HD1 ILE 10 2.070 5.428 -0.771
81 HD13 ILE 10 3HD1 ILE 10 1.019 6.065 -2.037
82 H ALA 11 H PRG 11 -1.293 3.832 1.170
83 HA ALA 11 HA PRG 11 -2.326 1.117 1.142
84 HB1 ALA 11 1HB PRG 11 -3.282 1.411 3.343
85 HB2 ALA 11 2HB PRG 11 -2.680 3.033 3.475
86 H PHE 12 H PHE 12 -4.160 0.729 0.555
87 HA PHE 12 HA PHE 12 -5.792 2.899 -0.518
88 HB2 PHE 12 2HB PHE 12 -5.851 -0.072 -1.087
89 HB3 PHE 12 1HB PHE 12 -6.805 1.154 -1.907
90 HD1 PHE 12 1HD PHE 12 -5.715 2.735 -3.433
91 HD2 PHE 12 2HD PHE 12 -3.565 -0.471 -1.663
92 HE1 PHE 12 1HE PHE 12 -3.951 2.997 -5.110
93 HE2 PHE 12 2HE PHE 12 -1.787 -0.216 -3.347
94 HZ PHE 12 HZ PHE 12 -1.982 1.525 -5.077
95 HA PRO 13 HA PRO 13 -8.621 2.275 2.871
96 HB2 PRO 13 2HB PRO 13 -10.898 3.238 1.628
97 HB3 PRO 13 1HB PRO 13 -9.679 4.238 2.422
98 HG2 PRO 13 2HG PRO 13 -10.025 3.615 -0.473
99 HG3 PRO 13 1HG PRO 13 -9.558 5.140 0.298
100 HD2 PRO 13 2HD PRO 13 -7.754 3.555 -0.898
101 HD3 PRO 13 1HD PRO 13 -7.355 4.477 0.567
102 H ASP 14 H ASP 14 -8.858 0.648 -0.086
103 HA ASP 14 HA ASP 14 -11.208 -0.922 0.415
104 HB2 ASP 14 2HB ASP 14 -8.803 -1.595 -1.307
105 HB3 ASP 14 1HB ASP 14 -10.301 -2.506 -1.276
106 H1 WMH 101 1HG AZH 3 -2.378 -0.989 4.572
107 H2 WMH 101 2HG AZH 3 -2.580 -0.405 2.971
108 H5 WMH 101 HD PRG 11 0.001 3.346 3.792
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -8.108 -1.036 1.169
2 HA2 GLY 1 2HA GLY 1 -7.494 -2.573 2.910
3 HA3 GLY 1 1HA GLY 1 -8.420 -3.817 2.059
4 H ARG 2 H ARG 2 -5.904 -1.478 1.271
5 HA ARG 2 HA ARG 2 -4.309 -3.636 0.137
6 HB2 ARG 2 2HB ARG 2 -5.704 -2.729 -1.693
7 HB3 ARG 2 1HB ARG 2 -5.049 -1.132 -1.385
8 HG2 ARG 2 2HG ARG 2 -3.908 -2.015 -3.272
9 HG3 ARG 2 1HG ARG 2 -2.781 -2.056 -1.916
10 HD2 ARG 2 2HD ARG 2 -2.654 -4.118 -3.180
11 HD3 ARG 2 1HD ARG 2 -3.304 -4.430 -1.568
12 HE ARG 2 HE ARG 2 -5.294 -3.950 -3.576
13 HH11 ARG 2 1HH1 ARG 2 -3.323 -6.478 -2.054
14 HH12 ARG 2 2HH1 ARG 2 -4.383 -7.751 -2.455
15 HH21 ARG 2 1HH2 ARG 2 -6.721 -5.692 -4.151
16 HH22 ARG 2 2HH2 ARG 2 -6.392 -7.289 -3.682
17 H ALA 3 H AZH 3 -2.394 -3.394 1.007
18 HA ALA 3 HA AZH 3 -1.243 -0.741 1.298
19 HB2 ALA 3 1HB AZH 3 -0.163 -1.918 3.434
20 HB3 ALA 3 2HB AZH 3 -1.653 -2.852 3.373
21 H THR 4 H THR 4 0.837 -0.639 0.606
22 HA THR 4 HA THR 4 1.745 -2.965 -0.788
23 HB THR 4 HB THR 4 3.484 -1.332 -1.663
24 HG1 THR 4 1HG THR 4 3.458 0.655 -0.981
25 HG21 THR 4 1HG2 THR 4 1.860 -0.198 -3.128
26 HG22 THR 4 2HG2 THR 4 0.563 -0.635 -2.018
27 HG23 THR 4 3HG2 THR 4 1.433 -1.893 -2.894
28 H LYS 5 H LYS 5 3.623 -4.050 -0.458
29 HA LYS 5 HA LYS 5 4.835 -3.671 2.165
30 HB2 LYS 5 2HB LYS 5 5.730 -5.960 1.862
31 HB3 LYS 5 1HB LYS 5 3.982 -5.905 1.761
32 HG2 LYS 5 2HG LYS 5 4.138 -6.022 -0.698
33 HG3 LYS 5 1HG LYS 5 5.894 -6.139 -0.563
34 HD2 LYS 5 2HD LYS 5 5.649 -8.210 0.738
35 HD3 LYS 5 1HD LYS 5 3.896 -8.082 0.613
36 HE2 LYS 5 2HE LYS 5 4.727 -9.680 -1.009
37 HE3 LYS 5 1HE LYS 5 4.087 -8.264 -1.837
38 HZ1 LYS 5 1HZ LYS 5 6.183 -9.008 -2.786
39 HZ2 LYS 5 2HZ LYS 5 6.970 -8.787 -1.319
40 HZ3 LYS 5 3HZ LYS 5 6.347 -7.465 -2.138
41 H SER 6 H SER 6 5.296 -2.484 -0.681
42 HA SER 6 HA SER 6 8.217 -2.536 -0.533
43 HB2 SER 6 2HB SER 6 6.405 -2.046 -2.899
44 HB3 SER 6 1HB SER 6 8.171 -1.996 -2.947
45 HG SER 6 HG SER 6 7.899 -4.212 -2.027
46 H ILE 7 H ILE 7 9.064 -0.366 -1.513
47 HA ILE 7 HA ILE 7 7.711 1.748 -0.054
48 HB ILE 7 HB ILE 7 10.462 1.641 -1.352
49 HG12 ILE 7 2HG1 ILE 7 9.642 1.567 1.560
50 HG13 ILE 7 1HG1 ILE 7 10.223 0.197 0.624
51 HG21 ILE 7 1HG2 ILE 7 9.593 3.943 -1.329
52 HG22 ILE 7 2HG2 ILE 7 10.958 3.737 -0.233
53 HG23 ILE 7 3HG2 ILE 7 9.321 3.814 0.413
54 HD11 ILE 7 1HD1 ILE 7 11.803 2.672 1.301
55 HD12 ILE 7 2HD1 ILE 7 12.400 1.278 0.398
56 HD13 ILE 7 3HD1 ILE 7 11.945 1.105 2.092
57 HA PRO 8 HA PRO 8 7.255 3.743 0.030
58 HB2 PRO 8 2HB PRO 8 5.058 5.351 -0.849
59 HB3 PRO 8 1HB PRO 8 6.692 5.871 -0.434
60 HG2 PRO 8 2HG PRO 8 5.626 5.993 -2.973
61 HG3 PRO 8 1HG PRO 8 7.359 5.912 -2.620
62 HD2 PRO 8 2HD PRO 8 5.483 3.713 -3.404
63 HD3 PRO 8 1HD PRO 8 7.140 4.030 -3.964
64 HA PRO 9 HA PRO 9 3.725 1.281 1.144
65 HB2 PRO 9 2HB PRO 9 3.376 2.102 3.699
66 HB3 PRO 9 1HB PRO 9 4.728 1.066 3.230
67 HG2 PRO 9 2HG PRO 9 4.673 4.010 3.708
68 HG3 PRO 9 1HG PRO 9 5.909 2.832 4.175
69 HD2 PRO 9 2HD PRO 9 6.112 4.482 1.994
70 HD3 PRO 9 1HD PRO 9 6.918 2.908 2.102
71 H ILE 10 H ILE 10 1.961 1.923 0.089
72 HA ILE 10 HA ILE 10 0.584 4.300 1.082
73 HB ILE 10 HB ILE 10 1.387 4.718 -1.211
74 HG12 ILE 10 2HG1 ILE 10 -1.607 4.253 -1.176
75 HG13 ILE 10 1HG1 ILE 10 -0.793 5.670 -0.530
76 HG21 ILE 10 1HG2 ILE 10 0.603 3.395 -3.123
77 HG22 ILE 10 2HG2 ILE 10 -0.168 2.267 -2.007
78 HG23 ILE 10 3HG2 ILE 10 1.585 2.443 -2.004
79 HD11 ILE 10 1HD1 ILE 10 -1.770 6.127 -2.700
80 HD12 ILE 10 2HD1 ILE 10 -0.842 4.809 -3.412
81 HD13 ILE 10 3HD1 ILE 10 -0.011 6.231 -2.782
82 H ALA 11 H PRG 11 -1.578 4.049 1.545
83 HA ALA 11 HA PRG 11 -2.477 1.294 1.279
84 HB1 ALA 11 1HB PRG 11 -3.470 1.337 3.445
85 HB2 ALA 11 2HB PRG 11 -2.973 2.980 3.751
86 H PHE 12 H PHE 12 -4.465 0.943 0.879
87 HA PHE 12 HA PHE 12 -6.090 3.261 0.071
88 HB2 PHE 12 2HB PHE 12 -6.054 0.523 -1.226
89 HB3 PHE 12 1HB PHE 12 -6.981 1.910 -1.751
90 HD1 PHE 12 1HD PHE 12 -5.932 3.743 -2.951
91 HD2 PHE 12 2HD PHE 12 -3.645 0.395 -1.653
92 HE1 PHE 12 1HE PHE 12 -4.105 4.406 -4.447
93 HE2 PHE 12 2HE PHE 12 -1.815 1.060 -3.152
94 HZ PHE 12 HZ PHE 12 -2.047 3.068 -4.553
95 HA PRO 13 HA PRO 13 -9.017 1.862 3.131
96 HB2 PRO 13 2HB PRO 13 -11.296 2.799 1.775
97 HB3 PRO 13 1HB PRO 13 -10.335 3.683 2.962
98 HG2 PRO 13 2HG PRO 13 -10.252 3.807 -0.006
99 HG3 PRO 13 1HG PRO 13 -9.977 5.084 1.185
100 HD2 PRO 13 2HD PRO 13 -7.971 3.947 -0.162
101 HD3 PRO 13 1HD PRO 13 -7.777 4.468 1.526
102 H ASP 14 H ASP 14 -9.259 0.901 -0.179
103 HA ASP 14 HA ASP 14 -11.302 -1.040 -0.104
104 HB2 ASP 14 2HB ASP 14 -10.307 -0.385 -2.215
105 HB3 ASP 14 1HB ASP 14 -8.726 -0.942 -1.693
106 H1 WMH 101 1HG AZH 3 -2.499 -1.035 4.672
107 H2 WMH 101 2HG AZH 3 -2.643 -0.442 3.070
108 H5 WMH 101 HD PRG 11 -0.277 3.407 4.104
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -8.139 -1.057 1.270
2 HA2 GLY 1 2HA GLY 1 -7.323 -2.919 2.553
3 HA3 GLY 1 1HA GLY 1 -8.397 -3.963 1.617
4 H ARG 2 H ARG 2 -5.829 -1.607 1.065
5 HA ARG 2 HA ARG 2 -4.484 -3.475 -0.667
6 HB2 ARG 2 2HB ARG 2 -6.132 -2.246 -2.125
7 HB3 ARG 2 1HB ARG 2 -5.337 -0.756 -1.665
8 HG2 ARG 2 2HG ARG 2 -3.296 -1.445 -2.736
9 HG3 ARG 2 1HG ARG 2 -3.999 -3.022 -3.111
10 HD2 ARG 2 2HD ARG 2 -5.005 -0.361 -4.121
11 HD3 ARG 2 1HD ARG 2 -4.053 -1.516 -5.053
12 HE ARG 2 HE ARG 2 -6.241 -2.921 -4.163
13 HH11 ARG 2 1HH1 ARG 2 -5.785 -0.017 -6.166
14 HH12 ARG 2 2HH1 ARG 2 -7.167 -0.293 -7.114
15 HH21 ARG 2 1HH2 ARG 2 -8.174 -3.262 -5.478
16 HH22 ARG 2 2HH2 ARG 2 -8.575 -2.148 -6.688
17 H ALA 3 H AZH 3 -2.742 -3.441 0.575
18 HA ALA 3 HA AZH 3 -1.354 -0.882 0.964
19 HB2 ALA 3 1HB AZH 3 -0.315 -2.335 2.960
20 HB3 ALA 3 2HB AZH 3 -1.909 -3.071 2.886
21 H THR 4 H THR 4 0.649 -0.773 0.220
22 HA THR 4 HA THR 4 1.832 -3.209 -0.771
23 HB THR 4 HB THR 4 3.475 -1.596 -1.831
24 HG1 THR 4 1HG THR 4 3.151 0.490 -1.713
25 HG21 THR 4 1HG2 THR 4 0.557 -1.167 -2.500
26 HG22 THR 4 2HG2 THR 4 1.573 -2.475 -3.106
27 HG23 THR 4 3HG2 THR 4 1.915 -0.807 -3.565
28 H LYS 5 H LYS 5 3.741 -3.983 0.034
29 HA LYS 5 HA LYS 5 4.566 -2.828 2.591
30 HB2 LYS 5 2HB LYS 5 4.887 -5.613 1.484
31 HB3 LYS 5 1HB LYS 5 5.593 -5.088 3.004
32 HG2 LYS 5 2HG LYS 5 3.335 -4.587 3.862
33 HG3 LYS 5 1HG LYS 5 2.652 -5.172 2.347
34 HD2 LYS 5 2HD LYS 5 4.338 -6.834 4.227
35 HD3 LYS 5 1HD LYS 5 2.578 -6.837 4.207
36 HE2 LYS 5 2HE LYS 5 4.356 -7.622 1.885
37 HE3 LYS 5 1HE LYS 5 3.551 -8.737 2.982
38 HZ1 LYS 5 1HZ LYS 5 2.324 -8.437 0.906
39 HZ2 LYS 5 2HZ LYS 5 2.161 -6.801 1.207
40 HZ3 LYS 5 3HZ LYS 5 1.413 -7.907 2.219
41 H SER 6 H SER 6 5.401 -2.245 -0.267
42 HA SER 6 HA SER 6 8.289 -2.291 0.223
43 HB2 SER 6 2HB SER 6 6.818 -2.280 -2.433
44 HB3 SER 6 1HB SER 6 8.569 -2.324 -2.213
45 HG SER 6 HG SER 6 8.389 -4.331 -1.278
46 H ILE 7 H ILE 7 9.358 -0.284 -0.496
47 HA ILE 7 HA ILE 7 7.724 1.989 0.126
48 HB ILE 7 HB ILE 7 10.652 1.842 -0.692
49 HG12 ILE 7 2HG1 ILE 7 9.429 2.061 2.065
50 HG13 ILE 7 1HG1 ILE 7 10.127 0.599 1.382
51 HG21 ILE 7 1HG2 ILE 7 9.144 4.111 0.619
52 HG22 ILE 7 2HG2 ILE 7 9.708 4.081 -1.049
53 HG23 ILE 7 3HG2 ILE 7 10.874 4.081 0.275
54 HD11 ILE 7 1HD1 ILE 7 11.588 3.162 1.958
55 HD12 ILE 7 2HD1 ILE 7 12.300 1.711 1.259
56 HD13 ILE 7 3HD1 ILE 7 11.669 1.679 2.908
57 HA PRO 8 HA PRO 8 7.209 3.967 -0.215
58 HB2 PRO 8 2HB PRO 8 5.089 5.145 -1.795
59 HB3 PRO 8 1HB PRO 8 6.517 5.935 -1.124
60 HG2 PRO 8 2HG PRO 8 6.134 5.584 -3.802
61 HG3 PRO 8 1HG PRO 8 7.736 5.653 -3.052
62 HD2 PRO 8 2HD PRO 8 6.127 3.248 -3.850
63 HD3 PRO 8 1HD PRO 8 7.851 3.585 -4.136
64 HA PRO 9 HA PRO 9 3.824 1.132 0.442
65 HB2 PRO 9 2HB PRO 9 3.459 1.732 3.124
66 HB3 PRO 9 1HB PRO 9 4.592 0.534 2.501
67 HG2 PRO 9 2HG PRO 9 5.147 3.094 3.723
68 HG3 PRO 9 1HG PRO 9 6.280 1.815 3.276
69 HD2 PRO 9 2HD PRO 9 5.708 4.311 1.920
70 HD3 PRO 9 1HD PRO 9 6.975 3.120 1.578
71 H ILE 10 H ILE 10 2.002 1.745 -0.427
72 HA ILE 10 HA ILE 10 0.662 4.095 0.674
73 HB ILE 10 HB ILE 10 1.314 4.423 -1.684
74 HG12 ILE 10 2HG1 ILE 10 -0.919 4.981 -2.650
75 HG13 ILE 10 1HG1 ILE 10 -1.671 4.100 -1.328
76 HG21 ILE 10 1HG2 ILE 10 1.388 2.156 -2.472
77 HG22 ILE 10 2HG2 ILE 10 0.315 3.105 -3.502
78 HG23 ILE 10 3HG2 ILE 10 -0.361 2.004 -2.302
79 HD11 ILE 10 1HD1 ILE 10 -1.700 6.502 -0.949
80 HD12 ILE 10 2HD1 ILE 10 0.059 6.549 -1.049
81 HD13 ILE 10 3HD1 ILE 10 -0.728 5.681 0.269
82 H ALA 11 H PRG 11 -1.457 3.860 1.337
83 HA ALA 11 HA PRG 11 -2.499 1.158 1.126
84 HB1 ALA 11 1HB PRG 11 -3.280 1.212 3.422
85 HB2 ALA 11 2HB PRG 11 -2.606 2.790 3.700
86 H PHE 12 H PHE 12 -4.603 0.941 0.999
87 HA PHE 12 HA PHE 12 -6.204 3.368 0.673
88 HB2 PHE 12 2HB PHE 12 -6.228 0.926 -1.113
89 HB3 PHE 12 1HB PHE 12 -7.380 2.244 -1.211
90 HD1 PHE 12 1HD PHE 12 -4.008 1.140 -1.986
91 HD2 PHE 12 2HD PHE 12 -6.670 4.460 -2.000
92 HE1 PHE 12 1HE PHE 12 -2.505 2.337 -3.505
93 HE2 PHE 12 2HE PHE 12 -5.169 5.664 -3.520
94 HZ PHE 12 HZ PHE 12 -3.080 4.604 -4.279
95 HA PRO 13 HA PRO 13 -8.923 1.671 3.794
96 HB2 PRO 13 2HB PRO 13 -10.937 2.867 1.937
97 HB3 PRO 13 1HB PRO 13 -10.811 3.000 3.694
98 HG2 PRO 13 2HG PRO 13 -10.007 4.990 2.150
99 HG3 PRO 13 1HG PRO 13 -9.082 4.537 3.591
100 HD2 PRO 13 2HD PRO 13 -8.453 4.076 0.721
101 HD3 PRO 13 1HD PRO 13 -7.369 4.315 2.105
102 H ASP 14 H ASP 14 -9.402 1.047 0.400
103 HA ASP 14 HA ASP 14 -11.481 -0.860 0.464
104 HB2 ASP 14 2HB ASP 14 -9.159 -0.647 -1.463
105 HB3 ASP 14 1HB ASP 14 -10.596 -1.625 -1.713
106 H1 WMH 101 1HG AZH 3 -2.367 -1.308 4.406
107 H2 WMH 101 2HG AZH 3 -2.676 -0.598 2.858
108 H5 WMH 101 HD PRG 11 0.148 2.966 3.835
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -8.116 -1.052 1.124
2 HA2 GLY 1 2HA GLY 1 -7.508 -2.931 2.535
3 HA3 GLY 1 1HA GLY 1 -8.459 -3.957 1.464
4 H ARG 2 H ARG 2 -6.024 -1.448 0.930
5 HA ARG 2 HA ARG 2 -4.403 -3.404 -0.502
6 HB2 ARG 2 2HB ARG 2 -5.230 -0.717 -1.619
7 HB3 ARG 2 1HB ARG 2 -3.981 -1.738 -2.305
8 HG2 ARG 2 2HG ARG 2 -5.643 -3.462 -2.775
9 HG3 ARG 2 1HG ARG 2 -6.894 -2.450 -2.054
10 HD2 ARG 2 2HD ARG 2 -6.531 -0.747 -3.734
11 HD3 ARG 2 1HD ARG 2 -5.207 -1.679 -4.427
12 HE ARG 2 HE ARG 2 -7.294 -3.380 -4.494
13 HH11 ARG 2 1HH1 ARG 2 -6.885 -0.093 -5.720
14 HH12 ARG 2 2HH1 ARG 2 -7.827 -0.323 -7.105
15 HH21 ARG 2 1HH2 ARG 2 -8.630 -3.711 -6.398
16 HH22 ARG 2 2HH2 ARG 2 -8.846 -2.428 -7.493
17 H ALA 3 H AZH 3 -2.633 -3.370 0.668
18 HA ALA 3 HA AZH 3 -1.304 -0.821 1.122
19 HB2 ALA 3 1HB AZH 3 -0.404 -2.179 3.260
20 HB3 ALA 3 2HB AZH 3 -2.008 -2.891 3.137
21 H THR 4 H THR 4 0.770 -0.815 0.534
22 HA THR 4 HA THR 4 1.779 -3.332 -0.457
23 HB THR 4 HB THR 4 3.419 -1.789 -1.672
24 HG1 THR 4 1HG THR 4 2.830 0.321 -1.845
25 HG21 THR 4 1HG2 THR 4 1.777 -1.199 -3.396
26 HG22 THR 4 2HG2 THR 4 0.468 -1.504 -2.255
27 HG23 THR 4 3HG2 THR 4 1.501 -2.831 -2.788
28 H LYS 5 H LYS 5 3.779 -4.080 0.108
29 HA LYS 5 HA LYS 5 4.847 -2.994 2.605
30 HB2 LYS 5 2HB LYS 5 5.252 -5.656 1.248
31 HB3 LYS 5 1HB LYS 5 6.102 -5.167 2.705
32 HG2 LYS 5 2HG LYS 5 3.121 -5.466 2.421
33 HG3 LYS 5 1HG LYS 5 4.207 -6.637 3.172
34 HD2 LYS 5 2HD LYS 5 4.864 -4.888 4.820
35 HD3 LYS 5 1HD LYS 5 3.666 -3.812 4.098
36 HE2 LYS 5 2HE LYS 5 2.736 -4.846 6.072
37 HE3 LYS 5 1HE LYS 5 1.911 -5.449 4.636
38 HZ1 LYS 5 1HZ LYS 5 4.061 -6.862 6.111
39 HZ2 LYS 5 2HZ LYS 5 3.279 -7.445 4.741
40 HZ3 LYS 5 3HZ LYS 5 2.413 -7.218 6.177
41 H SER 6 H SER 6 5.306 -2.636 -0.535
42 HA SER 6 HA SER 6 8.191 -2.562 -0.559
43 HB2 SER 6 2HB SER 6 6.189 -1.561 -2.600
44 HB3 SER 6 1HB SER 6 7.904 -1.883 -2.869
45 HG SER 6 HG SER 6 6.757 -4.041 -1.804
46 H ILE 7 H ILE 7 9.077 -0.323 -1.460
47 HA ILE 7 HA ILE 7 7.821 1.764 0.139
48 HB ILE 7 HB ILE 7 10.715 1.568 -0.793
49 HG12 ILE 7 2HG1 ILE 7 9.538 1.227 1.973
50 HG13 ILE 7 1HG1 ILE 7 10.086 -0.090 0.946
51 HG21 ILE 7 1HG2 ILE 7 9.387 3.553 1.067
52 HG22 ILE 7 2HG2 ILE 7 9.953 3.894 -0.565
53 HG23 ILE 7 3HG2 ILE 7 11.111 3.484 0.703
54 HD11 ILE 7 1HD1 ILE 7 12.359 0.793 1.042
55 HD12 ILE 7 2HD1 ILE 7 11.721 0.455 2.651
56 HD13 ILE 7 3HD1 ILE 7 11.798 2.116 2.063
57 HA PRO 8 HA PRO 8 7.336 3.659 0.262
58 HB2 PRO 8 2HB PRO 8 5.355 5.382 -0.881
59 HB3 PRO 8 1HB PRO 8 6.875 5.847 -0.117
60 HG2 PRO 8 2HG PRO 8 6.332 6.192 -2.786
61 HG3 PRO 8 1HG PRO 8 7.965 6.026 -2.123
62 HD2 PRO 8 2HD PRO 8 6.231 3.939 -3.409
63 HD3 PRO 8 1HD PRO 8 7.965 4.256 -3.648
64 HA PRO 9 HA PRO 9 3.667 1.097 0.511
65 HB2 PRO 9 2HB PRO 9 2.831 1.890 2.991
66 HB3 PRO 9 1HB PRO 9 4.154 0.747 2.744
67 HG2 PRO 9 2HG PRO 9 4.269 3.682 3.310
68 HG3 PRO 9 1HG PRO 9 5.259 2.374 3.982
69 HD2 PRO 9 2HD PRO 9 6.153 3.973 2.014
70 HD3 PRO 9 1HD PRO 9 6.606 2.261 2.112
71 H ILE 10 H ILE 10 1.733 1.499 -0.314
72 HA ILE 10 HA ILE 10 0.495 4.145 0.107
73 HB ILE 10 HB ILE 10 0.162 2.377 -2.349
74 HG12 ILE 10 2HG1 ILE 10 1.813 4.898 -2.103
75 HG13 ILE 10 1HG1 ILE 10 2.486 3.273 -2.159
76 HG21 ILE 10 1HG2 ILE 10 -0.858 4.389 -3.324
77 HG22 ILE 10 2HG2 ILE 10 -0.604 5.252 -1.808
78 HG23 ILE 10 3HG2 ILE 10 -1.712 3.879 -1.867
79 HD11 ILE 10 1HD1 ILE 10 0.893 4.612 -4.330
80 HD12 ILE 10 2HD1 ILE 10 1.552 2.978 -4.398
81 HD13 ILE 10 3HD1 ILE 10 2.640 4.365 -4.312
82 H ALA 11 H PRG 11 -1.355 3.892 1.286
83 HA ALA 11 HA PRG 11 -2.574 1.248 1.143
84 HB1 ALA 11 1HB PRG 11 -3.331 1.449 3.413
85 HB2 ALA 11 2HB PRG 11 -2.633 3.030 3.598
86 H PHE 12 H PHE 12 -4.568 1.012 0.881
87 HA PHE 12 HA PHE 12 -6.297 3.382 0.613
88 HB2 PHE 12 2HB PHE 12 -6.365 0.863 -1.076
89 HB3 PHE 12 1HB PHE 12 -7.496 2.193 -1.185
90 HD1 PHE 12 1HD PHE 12 -6.911 4.239 -2.309
91 HD2 PHE 12 2HD PHE 12 -4.087 1.075 -1.925
92 HE1 PHE 12 1HE PHE 12 -5.498 5.294 -4.014
93 HE2 PHE 12 2HE PHE 12 -2.672 2.132 -3.629
94 HZ PHE 12 HZ PHE 12 -3.372 4.239 -4.674
95 HA PRO 13 HA PRO 13 -8.705 1.294 3.812
96 HB2 PRO 13 2HB PRO 13 -10.836 2.864 2.434
97 HB3 PRO 13 1HB PRO 13 -10.492 2.714 4.162
98 HG2 PRO 13 2HG PRO 13 -9.766 4.894 2.851
99 HG3 PRO 13 1HG PRO 13 -8.693 4.171 4.065
100 HD2 PRO 13 2HD PRO 13 -8.489 4.137 1.095
101 HD3 PRO 13 1HD PRO 13 -7.219 4.178 2.321
102 H ASP 14 H ASP 14 -9.343 1.127 0.408
103 HA ASP 14 HA ASP 14 -11.457 -0.761 0.343
104 HB2 ASP 14 2HB ASP 14 -9.149 -0.401 -1.593
105 HB3 ASP 14 1HB ASP 14 -10.449 -1.542 -1.862
106 H1 WMH 101 1HG AZH 3 -2.477 -1.014 4.545
107 H2 WMH 101 2HG AZH 3 -2.750 -0.429 2.939
108 H5 WMH 101 HD PRG 11 0.095 3.184 3.670
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -8.197 -1.007 1.268
2 HA2 GLY 1 2HA GLY 1 -7.585 -2.060 3.454
3 HA3 GLY 1 1HA GLY 1 -8.687 -3.356 2.983
4 H ARG 2 H ARG 2 -6.019 -1.546 1.570
5 HA ARG 2 HA ARG 2 -4.615 -4.004 0.952
6 HB2 ARG 2 2HB ARG 2 -5.460 -1.955 -1.086
7 HB3 ARG 2 1HB ARG 2 -4.109 -3.030 -1.351
8 HG2 ARG 2 2HG ARG 2 -5.624 -4.942 -1.212
9 HG3 ARG 2 1HG ARG 2 -6.980 -3.840 -0.940
10 HD2 ARG 2 2HD ARG 2 -6.785 -4.556 -3.300
11 HD3 ARG 2 1HD ARG 2 -6.627 -2.811 -3.089
12 HE ARG 2 HE ARG 2 -4.175 -4.345 -3.131
13 HH11 ARG 2 1HH1 ARG 2 -6.456 -2.411 -5.021
14 HH12 ARG 2 2HH1 ARG 2 -5.306 -1.924 -6.179
15 HH21 ARG 2 1HH2 ARG 2 -2.578 -3.685 -4.748
16 HH22 ARG 2 2HH2 ARG 2 -3.034 -2.671 -6.023
17 H ALA 3 H AZH 3 -2.428 -3.669 0.977
18 HA ALA 3 HA AZH 3 -1.349 -0.986 1.000
19 HB2 ALA 3 1HB AZH 3 0.039 -1.867 3.084
20 HB3 ALA 3 2HB AZH 3 -1.402 -2.841 3.347
21 H THR 4 H THR 4 0.631 -0.927 0.095
22 HA THR 4 HA THR 4 1.498 -3.400 -1.084
23 HB THR 4 HB THR 4 3.141 -2.005 -2.302
24 HG1 THR 4 1HG THR 4 3.605 -0.108 -1.657
25 HG21 THR 4 1HG2 THR 4 0.337 -0.877 -2.322
26 HG22 THR 4 2HG2 THR 4 0.897 -2.272 -3.244
27 HG23 THR 4 3HG2 THR 4 1.531 -0.666 -3.602
28 H LYS 5 H LYS 5 3.782 -4.033 -1.042
29 HA LYS 5 HA LYS 5 4.865 -3.746 1.648
30 HB2 LYS 5 2HB LYS 5 4.401 -6.032 0.775
31 HB3 LYS 5 1HB LYS 5 5.505 -5.735 -0.553
32 HG2 LYS 5 2HG LYS 5 6.523 -7.147 1.152
33 HG3 LYS 5 1HG LYS 5 7.366 -5.607 1.010
34 HD2 LYS 5 2HD LYS 5 6.156 -4.773 2.969
35 HD3 LYS 5 1HD LYS 5 5.339 -6.329 3.123
36 HE2 LYS 5 2HE LYS 5 7.203 -6.184 4.665
37 HE3 LYS 5 1HE LYS 5 7.511 -7.415 3.447
38 HZ1 LYS 5 1HZ LYS 5 8.984 -5.870 2.302
39 HZ2 LYS 5 2HZ LYS 5 9.459 -6.047 3.885
40 HZ3 LYS 5 3HZ LYS 5 8.637 -4.659 3.420
41 H SER 6 H SER 6 5.079 -2.093 -1.036
42 HA SER 6 HA SER 6 7.913 -1.965 -1.399
43 HB2 SER 6 2HB SER 6 7.152 -0.121 -3.010
44 HB3 SER 6 1HB SER 6 6.656 -1.774 -3.374
45 HG SER 6 HG SER 6 4.922 -0.466 -3.588
46 H ILE 7 H ILE 7 8.797 0.373 -1.502
47 HA ILE 7 HA ILE 7 7.761 1.982 0.710
48 HB ILE 7 HB ILE 7 10.684 1.549 -0.047
49 HG12 ILE 7 2HG1 ILE 7 9.171 0.796 2.474
50 HG13 ILE 7 1HG1 ILE 7 9.705 -0.324 1.229
51 HG21 ILE 7 1HG2 ILE 7 10.299 3.862 0.631
52 HG22 ILE 7 2HG2 ILE 7 11.235 3.005 1.856
53 HG23 ILE 7 3HG2 ILE 7 9.517 3.312 2.113
54 HD11 ILE 7 1HD1 ILE 7 11.160 -0.388 3.178
55 HD12 ILE 7 2HD1 ILE 7 11.493 1.335 2.998
56 HD13 ILE 7 3HD1 ILE 7 12.033 0.198 1.763
57 HA PRO 8 HA PRO 8 7.268 3.926 1.270
58 HB2 PRO 8 2HB PRO 8 5.236 5.601 -0.014
59 HB3 PRO 8 1HB PRO 8 6.366 6.028 1.269
60 HG2 PRO 8 2HG PRO 8 6.583 7.036 -1.223
61 HG3 PRO 8 1HG PRO 8 7.999 6.700 -0.209
62 HD2 PRO 8 2HD PRO 8 6.836 5.061 -2.434
63 HD3 PRO 8 1HD PRO 8 8.534 5.460 -2.103
64 HA PRO 9 HA PRO 9 4.018 0.985 0.493
65 HB2 PRO 9 2HB PRO 9 2.748 1.084 2.901
66 HB3 PRO 9 1HB PRO 9 4.294 0.260 2.674
67 HG2 PRO 9 2HG PRO 9 3.744 2.972 3.803
68 HG3 PRO 9 1HG PRO 9 4.896 1.745 4.357
69 HD2 PRO 9 2HD PRO 9 5.627 3.898 2.874
70 HD3 PRO 9 1HD PRO 9 6.469 2.339 2.795
71 H ILE 10 H ILE 10 2.192 1.267 -0.585
72 HA ILE 10 HA ILE 10 0.689 3.750 -0.245
73 HB ILE 10 HB ILE 10 0.519 1.683 -2.465
74 HG12 ILE 10 2HG1 ILE 10 1.913 4.374 -2.491
75 HG13 ILE 10 1HG1 ILE 10 2.724 2.815 -2.432
76 HG21 ILE 10 1HG2 ILE 10 -0.602 4.480 -2.266
77 HG22 ILE 10 2HG2 ILE 10 -1.527 2.982 -2.172
78 HG23 ILE 10 3HG2 ILE 10 -0.719 3.425 -3.676
79 HD11 ILE 10 1HD1 ILE 10 1.782 2.260 -4.624
80 HD12 ILE 10 2HD1 ILE 10 2.761 3.722 -4.680
81 HD13 ILE 10 3HD1 ILE 10 1.001 3.840 -4.680
82 H ALA 11 H PRG 11 -1.300 3.605 0.685
83 HA ALA 11 HA PRG 11 -2.400 0.921 0.881
84 HB1 ALA 11 1HB PRG 11 -3.278 1.323 3.068
85 HB2 ALA 11 2HB PRG 11 -2.767 2.982 3.099
86 H PHE 12 H PHE 12 -4.461 0.632 0.727
87 HA PHE 12 HA PHE 12 -5.899 2.814 -0.607
88 HB2 PHE 12 2HB PHE 12 -6.127 -0.158 -1.143
89 HB3 PHE 12 1HB PHE 12 -6.981 1.117 -1.987
90 HD1 PHE 12 1HD PHE 12 -5.825 2.598 -3.552
91 HD2 PHE 12 2HD PHE 12 -3.797 -0.635 -1.664
92 HE1 PHE 12 1HE PHE 12 -4.006 2.778 -5.195
93 HE2 PHE 12 2HE PHE 12 -1.979 -0.464 -3.301
94 HZ PHE 12 HZ PHE 12 -2.076 1.247 -5.072
95 HA PRO 13 HA PRO 13 -8.832 2.807 2.749
96 HB2 PRO 13 2HB PRO 13 -10.728 3.230 0.477
97 HB3 PRO 13 1HB PRO 13 -10.598 4.098 2.013
98 HG2 PRO 13 2HG PRO 13 -9.614 5.178 -0.188
99 HG3 PRO 13 1HG PRO 13 -8.718 5.285 1.336
100 HD2 PRO 13 2HD PRO 13 -8.195 3.578 -1.050
101 HD3 PRO 13 1HD PRO 13 -7.060 4.332 0.089
102 H ASP 14 H ASP 14 -9.502 0.888 -0.121
103 HA ASP 14 HA ASP 14 -11.634 -0.691 0.793
104 HB2 ASP 14 2HB ASP 14 -10.875 -0.719 -1.540
105 HB3 ASP 14 1HB ASP 14 -9.371 -1.488 -1.050
106 H1 WMH 101 1HG AZH 3 -2.185 -0.927 4.510
107 H2 WMH 101 2HG AZH 3 -2.487 -0.467 2.885
108 H5 WMH 101 HD PRG 11 -0.112 3.461 3.382
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -8.307 -0.829 1.504
2 HA2 GLY 1 2HA GLY 1 -7.649 -2.391 3.276
3 HA3 GLY 1 1HA GLY 1 -8.830 -3.508 2.611
4 H ARG 2 H ARG 2 -6.099 -1.595 1.376
5 HA ARG 2 HA ARG 2 -4.808 -4.031 0.524
6 HB2 ARG 2 2HB ARG 2 -6.241 -3.482 -1.404
7 HB3 ARG 2 1HB ARG 2 -5.549 -1.872 -1.474
8 HG2 ARG 2 2HG ARG 2 -4.597 -3.259 -3.206
9 HG3 ARG 2 1HG ARG 2 -3.357 -2.869 -2.016
10 HD2 ARG 2 2HD ARG 2 -3.220 -5.214 -2.686
11 HD3 ARG 2 1HD ARG 2 -3.653 -5.073 -0.985
12 HE ARG 2 HE ARG 2 -5.990 -5.238 -2.523
13 HH11 ARG 2 1HH1 ARG 2 -3.295 -7.341 -1.550
14 HH12 ARG 2 2HH1 ARG 2 -4.211 -8.762 -1.609
15 HH21 ARG 2 1HH2 ARG 2 -7.219 -7.218 -2.642
16 HH22 ARG 2 2HH2 ARG 2 -6.489 -8.699 -2.246
17 H ALA 3 H AZH 3 -2.795 -3.798 1.170
18 HA ALA 3 HA AZH 3 -1.480 -1.205 0.934
19 HB2 ALA 3 1HB AZH 3 -0.267 -2.146 3.129
20 HB3 ALA 3 2HB AZH 3 -1.833 -2.915 3.346
21 H THR 4 H THR 4 0.489 -1.305 0.055
22 HA THR 4 HA THR 4 1.456 -3.930 -0.704
23 HB THR 4 HB THR 4 2.962 -2.546 -2.199
24 HG1 THR 4 1HG THR 4 2.064 -0.381 -2.498
25 HG21 THR 4 1HG2 THR 4 -0.021 -2.133 -2.485
26 HG22 THR 4 2HG2 THR 4 0.876 -3.548 -3.031
27 HG23 THR 4 3HG2 THR 4 1.164 -1.979 -3.781
28 H LYS 5 H LYS 5 3.931 -4.171 -0.670
29 HA LYS 5 HA LYS 5 4.904 -3.146 1.904
30 HB2 LYS 5 2HB LYS 5 5.858 -5.527 0.303
31 HB3 LYS 5 1HB LYS 5 6.597 -4.961 1.791
32 HG2 LYS 5 2HG LYS 5 4.392 -5.364 2.925
33 HG3 LYS 5 1HG LYS 5 3.848 -6.123 1.431
34 HD2 LYS 5 2HD LYS 5 4.604 -7.850 2.944
35 HD3 LYS 5 1HD LYS 5 5.748 -7.725 1.608
36 HE2 LYS 5 2HE LYS 5 7.270 -6.413 3.003
37 HE3 LYS 5 1HE LYS 5 6.109 -6.442 4.326
38 HZ1 LYS 5 1HZ LYS 5 7.824 -8.045 4.672
39 HZ2 LYS 5 2HZ LYS 5 7.562 -8.771 3.188
40 HZ3 LYS 5 3HZ LYS 5 6.389 -8.882 4.397
41 H SER 6 H SER 6 4.956 -1.678 -0.657
42 HA SER 6 HA SER 6 7.682 -1.618 -1.496
43 HB2 SER 6 2HB SER 6 6.856 0.385 -2.786
44 HB3 SER 6 1HB SER 6 5.979 -1.112 -3.108
45 HG SER 6 HG SER 6 5.186 1.193 -1.714
46 H ILE 7 H ILE 7 8.675 0.709 -1.562
47 HA ILE 7 HA ILE 7 8.178 2.117 0.943
48 HB ILE 7 HB ILE 7 10.921 1.559 -0.269
49 HG12 ILE 7 2HG1 ILE 7 9.733 0.607 2.359
50 HG13 ILE 7 1HG1 ILE 7 9.980 -0.393 0.934
51 HG21 ILE 7 1HG2 ILE 7 10.811 3.787 0.702
52 HG22 ILE 7 2HG2 ILE 7 11.816 2.736 1.700
53 HG23 ILE 7 3HG2 ILE 7 10.170 3.120 2.204
54 HD11 ILE 7 1HD1 ILE 7 12.134 0.927 2.575
55 HD12 ILE 7 2HD1 ILE 7 12.399 -0.060 1.138
56 HD13 ILE 7 3HD1 ILE 7 11.710 -0.785 2.592
57 HA PRO 8 HA PRO 8 7.275 3.826 1.408
58 HB2 PRO 8 2HB PRO 8 5.286 5.517 0.759
59 HB3 PRO 8 1HB PRO 8 6.897 6.107 1.188
60 HG2 PRO 8 2HG PRO 8 5.685 5.721 -1.522
61 HG3 PRO 8 1HG PRO 8 6.611 7.099 -0.900
62 HD2 PRO 8 2HD PRO 8 7.722 5.172 -2.449
63 HD3 PRO 8 1HD PRO 8 8.632 6.036 -1.197
64 HA PRO 9 HA PRO 9 4.172 0.919 0.065
65 HB2 PRO 9 2HB PRO 9 2.669 0.748 2.300
66 HB3 PRO 9 1HB PRO 9 4.283 0.040 2.186
67 HG2 PRO 9 2HG PRO 9 3.415 2.589 3.474
68 HG3 PRO 9 1HG PRO 9 4.606 1.403 4.035
69 HD2 PRO 9 2HD PRO 9 5.260 3.758 2.795
70 HD3 PRO 9 1HD PRO 9 6.272 2.298 2.763
71 H ILE 10 H ILE 10 2.193 0.967 -0.880
72 HA ILE 10 HA ILE 10 0.732 3.501 -0.713
73 HB ILE 10 HB ILE 10 0.586 1.323 -2.834
74 HG12 ILE 10 2HG1 ILE 10 1.909 4.049 -2.960
75 HG13 ILE 10 1HG1 ILE 10 2.755 2.514 -2.836
76 HG21 ILE 10 1HG2 ILE 10 -0.635 4.093 -2.771
77 HG22 ILE 10 2HG2 ILE 10 -1.509 2.570 -2.616
78 HG23 ILE 10 3HG2 ILE 10 -0.705 2.974 -4.132
79 HD11 ILE 10 1HD1 ILE 10 1.864 1.863 -5.026
80 HD12 ILE 10 2HD1 ILE 10 2.796 3.359 -5.107
81 HD13 ILE 10 3HD1 ILE 10 1.034 3.415 -5.137
82 H ALA 11 H PRG 11 -1.209 3.455 0.309
83 HA ALA 11 HA PRG 11 -2.403 0.820 0.638
84 HB1 ALA 11 1HB PRG 11 -3.219 1.391 2.810
85 HB2 ALA 11 2HB PRG 11 -2.548 2.987 2.773
86 H PHE 12 H PHE 12 -4.496 0.655 0.567
87 HA PHE 12 HA PHE 12 -6.022 2.950 -0.443
88 HB2 PHE 12 2HB PHE 12 -6.326 0.012 -1.130
89 HB3 PHE 12 1HB PHE 12 -7.351 1.304 -1.727
90 HD1 PHE 12 1HD PHE 12 -4.121 -0.362 -2.036
91 HD2 PHE 12 2HD PHE 12 -6.523 2.873 -3.407
92 HE1 PHE 12 1HE PHE 12 -2.628 -0.077 -3.960
93 HE2 PHE 12 2HE PHE 12 -5.030 3.164 -5.334
94 HZ PHE 12 HZ PHE 12 -3.083 1.695 -5.619
95 HA PRO 13 HA PRO 13 -8.288 2.363 3.335
96 HB2 PRO 13 2HB PRO 13 -10.654 3.549 2.553
97 HB3 PRO 13 1HB PRO 13 -9.233 4.419 3.133
98 HG2 PRO 13 2HG PRO 13 -10.134 3.915 0.337
99 HG3 PRO 13 1HG PRO 13 -9.442 5.386 1.044
100 HD2 PRO 13 2HD PRO 13 -7.975 3.746 -0.478
101 HD3 PRO 13 1HD PRO 13 -7.271 4.566 0.932
102 H ASP 14 H ASP 14 -9.481 1.143 0.311
103 HA ASP 14 HA ASP 14 -11.637 -0.315 1.438
104 HB2 ASP 14 2HB ASP 14 -10.237 -0.578 -1.197
105 HB3 ASP 14 1HB ASP 14 -11.370 -1.819 -0.678
106 H1 WMH 101 1HG AZH 3 -2.355 -0.858 4.409
107 H2 WMH 101 2HG AZH 3 -2.634 -0.486 2.754
108 H5 WMH 101 HD PRG 11 0.159 3.202 3.000
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -8.204 -0.896 1.633
2 HA2 GLY 1 2HA GLY 1 -7.408 -2.399 3.353
3 HA3 GLY 1 1HA GLY 1 -8.592 -3.579 2.792
4 H ARG 2 H ARG 2 -5.945 -1.644 1.563
5 HA ARG 2 HA ARG 2 -4.795 -3.919 0.207
6 HB2 ARG 2 2HB ARG 2 -6.471 -3.220 -1.372
7 HB3 ARG 2 1HB ARG 2 -6.019 -1.550 -1.191
8 HG2 ARG 2 2HG ARG 2 -3.889 -2.040 -2.339
9 HG3 ARG 2 1HG ARG 2 -4.429 -3.713 -2.556
10 HD2 ARG 2 2HD ARG 2 -6.292 -3.045 -3.861
11 HD3 ARG 2 1HD ARG 2 -6.057 -1.349 -3.453
12 HE ARG 2 HE ARG 2 -3.895 -2.600 -4.886
13 HH11 ARG 2 1HH1 ARG 2 -6.898 -0.696 -5.134
14 HH12 ARG 2 2HH1 ARG 2 -6.542 -0.086 -6.683
15 HH21 ARG 2 1HH2 ARG 2 -3.441 -1.768 -7.034
16 HH22 ARG 2 2HH2 ARG 2 -4.561 -0.750 -7.807
17 H ALA 3 H AZH 3 -2.817 -3.688 0.996
18 HA ALA 3 HA AZH 3 -1.472 -1.096 0.845
19 HB2 ALA 3 1HB AZH 3 -0.299 -2.121 3.018
20 HB3 ALA 3 2HB AZH 3 -1.881 -2.868 3.191
21 H THR 4 H THR 4 0.512 -1.154 0.039
22 HA THR 4 HA THR 4 1.473 -3.745 -0.860
23 HB THR 4 HB THR 4 2.963 -2.403 -2.321
24 HG1 THR 4 1HG THR 4 3.270 -0.399 -1.892
25 HG21 THR 4 1HG2 THR 4 0.059 -1.565 -2.394
26 HG22 THR 4 2HG2 THR 4 0.739 -3.010 -3.145
27 HG23 THR 4 3HG2 THR 4 1.196 -1.409 -3.730
28 H LYS 5 H LYS 5 3.786 -4.227 -0.637
29 HA LYS 5 HA LYS 5 4.826 -3.287 1.925
30 HB2 LYS 5 2HB LYS 5 5.366 -5.698 0.219
31 HB3 LYS 5 1HB LYS 5 6.472 -5.239 1.503
32 HG2 LYS 5 2HG LYS 5 3.540 -5.780 1.923
33 HG3 LYS 5 1HG LYS 5 4.807 -6.992 2.129
34 HD2 LYS 5 2HD LYS 5 5.872 -5.560 3.836
35 HD3 LYS 5 1HD LYS 5 4.580 -4.382 3.636
36 HE2 LYS 5 2HE LYS 5 4.174 -7.233 4.530
37 HE3 LYS 5 1HE LYS 5 4.306 -5.854 5.616
38 HZ1 LYS 5 1HZ LYS 5 2.191 -6.204 3.545
39 HZ2 LYS 5 2HZ LYS 5 2.326 -4.921 4.644
40 HZ3 LYS 5 3HZ LYS 5 2.022 -6.466 5.199
41 H SER 6 H SER 6 4.931 -1.829 -0.654
42 HA SER 6 HA SER 6 7.703 -1.755 -1.374
43 HB2 SER 6 2HB SER 6 6.898 0.176 -2.792
44 HB3 SER 6 1HB SER 6 6.082 -1.359 -3.099
45 HG SER 6 HG SER 6 5.173 0.944 -1.782
46 H ILE 7 H ILE 7 8.823 0.433 -1.298
47 HA ILE 7 HA ILE 7 7.968 2.024 0.984
48 HB ILE 7 HB ILE 7 10.804 1.165 0.341
49 HG12 ILE 7 2HG1 ILE 7 9.089 0.778 2.804
50 HG13 ILE 7 1HG1 ILE 7 9.498 -0.459 1.623
51 HG21 ILE 7 1HG2 ILE 7 10.835 3.524 0.915
52 HG22 ILE 7 2HG2 ILE 7 11.519 2.568 2.232
53 HG23 ILE 7 3HG2 ILE 7 9.882 3.209 2.366
54 HD11 ILE 7 1HD1 ILE 7 10.831 -0.656 3.640
55 HD12 ILE 7 2HD1 ILE 7 11.434 0.986 3.405
56 HD13 ILE 7 3HD1 ILE 7 11.833 -0.278 2.240
57 HA PRO 8 HA PRO 8 7.289 3.821 1.398
58 HB2 PRO 8 2HB PRO 8 5.435 5.568 0.476
59 HB3 PRO 8 1HB PRO 8 6.998 6.090 1.115
60 HG2 PRO 8 2HG PRO 8 6.123 5.752 -1.719
61 HG3 PRO 8 1HG PRO 8 7.074 7.054 -0.987
62 HD2 PRO 8 2HD PRO 8 8.198 5.027 -2.406
63 HD3 PRO 8 1HD PRO 8 9.031 5.841 -1.067
64 HA PRO 9 HA PRO 9 4.143 1.036 -0.058
65 HB2 PRO 9 2HB PRO 9 2.641 0.858 2.159
66 HB3 PRO 9 1HB PRO 9 4.266 0.171 2.081
67 HG2 PRO 9 2HG PRO 9 3.346 2.722 3.330
68 HG3 PRO 9 1HG PRO 9 4.528 1.546 3.925
69 HD2 PRO 9 2HD PRO 9 5.187 3.895 2.656
70 HD3 PRO 9 1HD PRO 9 6.220 2.452 2.712
71 H ILE 10 H ILE 10 2.033 1.031 -0.813
72 HA ILE 10 HA ILE 10 0.666 3.624 -0.762
73 HB ILE 10 HB ILE 10 0.413 1.394 -2.818
74 HG12 ILE 10 2HG1 ILE 10 1.987 3.972 -3.062
75 HG13 ILE 10 1HG1 ILE 10 2.705 2.385 -2.823
76 HG21 ILE 10 1HG2 ILE 10 -0.668 3.142 -4.179
77 HG22 ILE 10 2HG2 ILE 10 -0.493 4.277 -2.839
78 HG23 ILE 10 3HG2 ILE 10 -1.526 2.859 -2.665
79 HD11 ILE 10 1HD1 ILE 10 2.847 3.075 -5.145
80 HD12 ILE 10 2HD1 ILE 10 1.095 3.271 -5.212
81 HD13 ILE 10 3HD1 ILE 10 1.795 1.668 -4.985
82 H ALA 11 H PRG 11 -1.344 3.581 0.207
83 HA ALA 11 HA PRG 11 -2.509 0.945 0.617
84 HB1 ALA 11 1HB PRG 11 -3.209 1.474 2.850
85 HB2 ALA 11 2HB PRG 11 -2.492 3.054 2.804
86 H PHE 12 H PHE 12 -4.570 0.792 0.575
87 HA PHE 12 HA PHE 12 -6.111 3.136 -0.267
88 HB2 PHE 12 2HB PHE 12 -6.450 0.275 -1.216
89 HB3 PHE 12 1HB PHE 12 -7.357 1.667 -1.759
90 HD1 PHE 12 1HD PHE 12 -6.567 3.051 -3.499
91 HD2 PHE 12 2HD PHE 12 -4.004 0.105 -1.821
92 HE1 PHE 12 1HE PHE 12 -4.965 3.399 -5.325
93 HE2 PHE 12 2HE PHE 12 -2.403 0.450 -3.645
94 HZ PHE 12 HZ PHE 12 -2.882 2.103 -5.401
95 HA PRO 13 HA PRO 13 -8.468 2.291 3.428
96 HB2 PRO 13 2HB PRO 13 -10.917 3.258 2.520
97 HB3 PRO 13 1HB PRO 13 -9.630 4.230 3.236
98 HG2 PRO 13 2HG PRO 13 -10.262 3.761 0.352
99 HG3 PRO 13 1HG PRO 13 -9.776 5.261 1.161
100 HD2 PRO 13 2HD PRO 13 -8.026 3.883 -0.277
101 HD3 PRO 13 1HD PRO 13 -7.538 4.620 1.268
102 H ASP 14 H ASP 14 -9.491 1.048 0.349
103 HA ASP 14 HA ASP 14 -11.590 -0.654 1.140
104 HB2 ASP 14 2HB ASP 14 -11.208 -0.291 -1.200
105 HB3 ASP 14 1HB ASP 14 -9.564 -0.902 -1.087
106 H1 WMH 101 1HG AZH 3 -2.330 -0.830 4.323
107 H2 WMH 101 2HG AZH 3 -2.659 -0.428 2.678
108 H5 WMH 101 HD PRG 11 0.218 3.193 2.851