Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
8300 | 1m02 RC | 5494 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H HIS 1 1HT HIS 1 -5.515 6.961 4.100
2 2H HIS 1 2HT HIS 1 -6.301 7.688 2.758
3 3H HIS 1 3HT HIS 1 -4.919 8.431 3.452
4 HA HIS 1 HA HIS 1 -4.438 7.313 1.384
5 1HB HIS 1 2HB HIS 1 -3.209 6.123 3.883
6 2HB HIS 1 1HB HIS 1 -2.485 6.085 2.279
7 HD1 HIS 1 1HD HIS 1 -2.389 8.771 1.263
8 HD2 HIS 1 2HD HIS 1 -2.098 8.084 5.350
9 HE1 HIS 1 1HE HIS 1 -1.288 10.823 2.213
10 HE2 HIS 1 2HE HIS 1 -1.028 10.338 4.671
11 HA PRO 2 HA PRO 2 -6.395 3.518 0.290
12 1HB PRO 2 2HB PRO 2 -3.722 2.681 -0.727
13 2HB PRO 2 1HB PRO 2 -5.285 2.701 -1.552
14 1HG PRO 2 2HG PRO 2 -3.449 4.555 -2.079
15 2HG PRO 2 1HG PRO 2 -5.171 4.976 -1.995
16 1HD PRO 2 2HD PRO 2 -2.995 5.474 -0.012
17 2HD PRO 2 1HD PRO 2 -4.394 6.483 -0.433
18 H LEU 3 H LEU 3 -6.846 1.789 1.496
19 HA LEU 3 HA LEU 3 -4.660 0.452 2.923
20 1HB LEU 3 2HB LEU 3 -6.096 0.186 4.890
21 2HB LEU 3 1HB LEU 3 -5.750 1.866 4.533
22 HG LEU 3 HG LEU 3 -7.986 2.107 3.534
23 1HD1 LEU 3 1HD1 LEU 3 -8.175 -0.793 4.215
24 2HD1 LEU 3 2HD1 LEU 3 -8.655 0.048 2.740
25 3HD1 LEU 3 3HD1 LEU 3 -9.622 0.214 4.205
26 1HD2 LEU 3 1HD2 LEU 3 -9.159 2.266 5.565
27 2HD2 LEU 3 2HD2 LEU 3 -7.461 2.495 5.984
28 3HD2 LEU 3 3HD2 LEU 3 -8.244 0.944 6.290
29 H LYS 4 H LYS 4 -6.591 -0.019 0.511
30 HA LYS 4 HA LYS 4 -7.449 -2.712 1.336
31 1HB LYS 4 2HB LYS 4 -9.314 -1.280 0.676
32 2HB LYS 4 1HB LYS 4 -8.537 -0.952 -0.866
33 1HG LYS 4 2HG LYS 4 -8.741 -3.309 -1.473
34 2HG LYS 4 1HG LYS 4 -9.520 -3.639 0.075
35 1HD LYS 4 2HD LYS 4 -11.340 -2.112 -0.517
36 2HD LYS 4 1HD LYS 4 -10.560 -1.783 -2.065
37 1HE LYS 4 2HE LYS 4 -10.780 -4.141 -2.676
38 2HE LYS 4 1HE LYS 4 -11.558 -4.471 -1.128
39 1HZ LYS 4 1HZ LYS 4 -13.481 -3.488 -1.780
40 2HZ LYS 4 2HZ LYS 4 -12.938 -3.988 -3.301
41 3HZ LYS 4 3HZ LYS 4 -12.721 -2.384 -2.812
42 H GLN 5 H GLN 5 -5.346 -0.956 -0.692
43 HA GLN 5 HA GLN 5 -5.055 -2.998 -2.697
44 1HB GLN 5 2HB GLN 5 -4.696 -0.651 -3.277
45 2HB GLN 5 1HB GLN 5 -3.382 -0.551 -2.113
46 1HG GLN 5 2HG GLN 5 -2.105 -2.177 -3.411
47 2HG GLN 5 1HG GLN 5 -3.422 -2.279 -4.577
48 1HE2 GLN 5 1HE2 GLN 5 -0.494 -0.967 -4.064
49 2HE2 GLN 5 2HE2 GLN 5 -0.605 0.435 -5.065
50 H TYR 6 H TYR 6 -3.638 -2.247 0.353
51 HA TYR 6 HA TYR 6 -2.030 -3.249 1.615
52 1HB TYR 6 2HB TYR 6 -2.519 -5.558 -0.278
53 2HB TYR 6 1HB TYR 6 -1.647 -5.663 1.244
54 HD1 TYR 6 1HD TYR 6 -3.586 -7.558 1.193
55 HD2 TYR 6 2HD TYR 6 -4.203 -3.400 1.860
56 HE1 TYR 6 1HE TYR 6 -5.688 -8.061 2.363
57 HE2 TYR 6 2HE TYR 6 -6.307 -3.894 3.028
58 HH TYR 6 HH TYR 6 -7.245 -5.979 4.327
59 H TRP 7 H TRP 7 -0.364 -1.842 1.003
60 HA TRP 7 HA TRP 7 1.265 -2.419 -1.304
61 1HB TRP 7 2HB TRP 7 2.630 -0.517 -0.534
62 2HB TRP 7 1HB TRP 7 0.921 -0.102 -0.616
63 HD1 TRP 7 HD TRP 7 3.240 -1.505 2.181
64 HE1 TRP 7 1HE TRP 7 2.718 -0.219 4.348
65 HE3 TRP 7 3HE TRP 7 -0.423 1.596 0.420
66 HZ2 TRP 7 2HZ TRP 7 0.982 1.838 5.198
67 HZ3 TRP 7 3HZ TRP 7 -1.463 3.193 1.975
68 HH2 TRP 7 HH TRP 7 -0.775 3.311 4.315
69 H TRP 8 H TRP 8 3.729 -2.445 -0.941
70 HA TRP 8 HA TRP 8 4.421 -4.130 1.365
71 1HB TRP 8 2HB TRP 8 4.067 -5.583 -0.585
72 2HB TRP 8 1HB TRP 8 5.217 -4.635 -1.512
73 HD1 TRP 8 HD TRP 8 6.154 -7.335 -1.680
74 HE1 TRP 8 1HE TRP 8 8.033 -8.403 -0.293
75 HE3 TRP 8 3HE TRP 8 6.144 -4.155 2.352
76 HZ2 TRP 8 2HZ TRP 8 9.323 -7.985 2.169
77 HZ3 TRP 8 3HZ TRP 8 7.727 -4.579 4.175
78 HH2 TRP 8 HH TRP 8 9.282 -6.458 4.089
79 H ARG 9 H ARG 9 6.696 -3.614 -1.198
80 HA ARG 9 HA ARG 9 8.551 -2.354 0.502
81 1HB ARG 9 2HB ARG 9 8.517 -2.504 -2.515
82 2HB ARG 9 1HB ARG 9 9.896 -2.022 -1.540
83 1HG ARG 9 2HG ARG 9 8.561 -4.721 -1.499
84 2HG ARG 9 1HG ARG 9 10.095 -4.329 -2.278
85 1HD ARG 9 2HD ARG 9 11.042 -3.727 -0.103
86 2HD ARG 9 1HD ARG 9 9.509 -4.118 0.674
87 HE ARG 9 HE ARG 9 10.362 -6.358 -0.766
88 1HH1 ARG 9 1HH1 ARG 9 11.308 -4.488 2.024
89 2HH1 ARG 9 2HH1 ARG 9 12.054 -5.830 2.826
90 1HH2 ARG 9 1HH2 ARG 9 11.342 -8.124 0.287
91 2HH2 ARG 9 2HH2 ARG 9 12.074 -7.894 1.840
92 HA PRO 10 HA PRO 10 7.466 1.725 -1.833
93 1HB PRO 10 2HB PRO 10 5.157 1.828 -3.235
94 2HB PRO 10 1HB PRO 10 6.679 1.287 -3.952
95 1HG PRO 10 2HG PRO 10 4.399 -0.340 -2.898
96 2HG PRO 10 1HG PRO 10 5.340 -0.564 -4.384
97 1HD PRO 10 2HD PRO 10 5.787 -2.004 -2.130
98 2HD PRO 10 1HD PRO 10 7.075 -1.594 -3.281
99 H SER 11 H SER 11 7.121 2.022 0.480
100 HA SER 11 HA SER 11 4.293 2.554 1.123
101 1HB SER 11 2HB SER 11 6.491 1.674 3.013
102 2HB SER 11 1HB SER 11 4.843 2.086 3.487
103 HG SER 11 HG SER 11 5.563 -0.252 2.961
104 H ILE 12 H ILE 12 3.851 4.630 1.399
105 HA ILE 12 HA ILE 12 6.053 6.466 2.066
106 HB ILE 12 HB ILE 12 3.405 7.055 0.729
107 1HG1 ILE 12 2HG1 ILE 12 4.964 5.852 -0.727
108 2HG1 ILE 12 1HG1 ILE 12 4.784 7.521 -1.258
109 1HG2 ILE 12 1HG2 ILE 12 5.689 8.845 1.520
110 2HG2 ILE 12 2HG2 ILE 12 3.989 8.982 1.967
111 3HG2 ILE 12 3HG2 ILE 12 4.494 9.300 0.308
112 1HD1 ILE 12 1HD1 ILE 12 7.124 6.163 -0.028
113 2HD1 ILE 12 2HD1 ILE 12 6.911 7.896 0.214
114 3HD1 ILE 12 3HD1 ILE 12 7.045 7.245 -1.419
Start of MODEL 2
1 1H HIS 1 1HT HIS 1 -4.852 6.612 -3.132
2 2H HIS 1 2HT HIS 1 -3.426 5.972 -3.838
3 3H HIS 1 3HT HIS 1 -3.401 7.522 -3.106
4 HA HIS 1 HA HIS 1 -2.443 5.563 -1.854
5 1HB HIS 1 2HB HIS 1 -4.505 7.415 -0.633
6 2HB HIS 1 1HB HIS 1 -3.252 6.563 0.262
7 HD1 HIS 1 1HD HIS 1 -0.712 7.157 -0.941
8 HD2 HIS 1 2HD HIS 1 -3.771 9.969 -1.049
9 HE1 HIS 1 1HE HIS 1 0.421 9.370 -1.325
10 HE2 HIS 1 2HE HIS 1 -1.456 11.042 -1.478
11 HA PRO 2 HA PRO 2 -6.219 2.783 -1.930
12 1HB PRO 2 2HB PRO 2 -4.949 0.588 -2.888
13 2HB PRO 2 1HB PRO 2 -5.642 1.827 -3.941
14 1HG PRO 2 2HG PRO 2 -2.798 1.449 -3.079
15 2HG PRO 2 1HG PRO 2 -3.437 1.835 -4.688
16 1HD PRO 2 2HD PRO 2 -2.387 3.719 -3.053
17 2HD PRO 2 1HD PRO 2 -3.713 4.068 -4.181
18 H LEU 3 H LEU 3 -6.273 2.708 0.316
19 HA LEU 3 HA LEU 3 -4.234 1.434 1.849
20 1HB LEU 3 2HB LEU 3 -5.760 1.724 3.743
21 2HB LEU 3 1HB LEU 3 -5.539 3.202 2.829
22 HG LEU 3 HG LEU 3 -7.720 2.850 1.747
23 1HD1 LEU 3 1HD1 LEU 3 -8.286 0.652 1.689
24 2HD1 LEU 3 2HD1 LEU 3 -9.180 1.128 3.131
25 3HD1 LEU 3 3HD1 LEU 3 -7.620 0.321 3.289
26 1HD2 LEU 3 1HD2 LEU 3 -9.087 3.087 3.923
27 2HD2 LEU 3 2HD2 LEU 3 -7.854 4.293 3.554
28 3HD2 LEU 3 3HD2 LEU 3 -7.518 3.018 4.726
29 H LYS 4 H LYS 4 -6.734 0.220 -0.043
30 HA LYS 4 HA LYS 4 -7.046 -2.206 1.550
31 1HB LYS 4 2HB LYS 4 -9.077 -1.196 0.647
32 2HB LYS 4 1HB LYS 4 -8.429 -1.315 -0.984
33 1HG LYS 4 2HG LYS 4 -8.440 -3.752 -0.813
34 2HG LYS 4 1HG LYS 4 -9.090 -3.632 0.823
35 1HD LYS 4 2HD LYS 4 -11.081 -2.507 -0.053
36 2HD LYS 4 1HD LYS 4 -10.429 -2.626 -1.688
37 1HE LYS 4 2HE LYS 4 -10.455 -5.067 -1.520
38 2HE LYS 4 1HE LYS 4 -11.106 -4.948 0.115
39 1HZ LYS 4 1HZ LYS 4 -12.787 -5.383 -1.645
40 2HZ LYS 4 2HZ LYS 4 -12.471 -3.847 -2.277
41 3HZ LYS 4 3HZ LYS 4 -13.104 -4.003 -0.717
42 H GLN 5 H GLN 5 -5.313 -1.025 -1.149
43 HA GLN 5 HA GLN 5 -4.968 -3.440 -2.577
44 1HB GLN 5 2HB GLN 5 -4.524 -1.262 -3.593
45 2HB GLN 5 1HB GLN 5 -3.205 -0.989 -2.463
46 1HG GLN 5 2HG GLN 5 -1.992 -2.881 -3.414
47 2HG GLN 5 1HG GLN 5 -3.313 -3.157 -4.548
48 1HE2 GLN 5 1HE2 GLN 5 -0.337 -1.882 -4.279
49 2HE2 GLN 5 2HE2 GLN 5 -0.396 -0.695 -5.533
50 H TYR 6 H TYR 6 -3.561 -2.211 0.310
51 HA TYR 6 HA TYR 6 -2.015 -3.036 1.760
52 1HB TYR 6 2HB TYR 6 -2.477 -5.598 0.219
53 2HB TYR 6 1HB TYR 6 -1.648 -5.481 1.765
54 HD1 TYR 6 1HD TYR 6 -3.608 -7.347 1.942
55 HD2 TYR 6 2HD TYR 6 -4.192 -3.130 1.962
56 HE1 TYR 6 1HE TYR 6 -5.747 -7.653 3.113
57 HE2 TYR 6 2HE TYR 6 -6.333 -3.428 3.131
58 HH TYR 6 HH TYR 6 -7.272 -6.407 4.519
59 H TRP 7 H TRP 7 -0.531 -1.582 0.575
60 HA TRP 7 HA TRP 7 1.178 -2.453 -1.466
61 1HB TRP 7 2HB TRP 7 2.625 -0.569 -0.807
62 2HB TRP 7 1HB TRP 7 0.932 -0.092 -0.895
63 HD1 TRP 7 HD TRP 7 3.225 -1.444 1.949
64 HE1 TRP 7 1HE TRP 7 2.777 -0.030 4.052
65 HE3 TRP 7 3HE TRP 7 -0.331 1.708 0.065
66 HZ2 TRP 7 2HZ TRP 7 1.132 2.135 4.812
67 HZ3 TRP 7 3HZ TRP 7 -1.292 3.422 1.546
68 HH2 TRP 7 HH TRP 7 -0.574 3.630 3.870
69 H TRP 8 H TRP 8 3.690 -2.407 -1.016
70 HA TRP 8 HA TRP 8 4.332 -4.041 1.330
71 1HB TRP 8 2HB TRP 8 3.918 -5.591 -0.532
72 2HB TRP 8 1HB TRP 8 5.089 -4.733 -1.517
73 HD1 TRP 8 HD TRP 8 5.946 -7.463 -1.539
74 HE1 TRP 8 1HE TRP 8 7.801 -8.508 -0.104
75 HE3 TRP 8 3HE TRP 8 6.049 -4.070 2.313
76 HZ2 TRP 8 2HZ TRP 8 9.115 -7.996 2.327
77 HZ3 TRP 8 3HZ TRP 8 7.628 -4.442 4.152
78 HH2 TRP 8 HH TRP 8 9.127 -6.367 4.162
79 H ARG 9 H ARG 9 6.520 -3.642 -1.349
80 HA ARG 9 HA ARG 9 8.550 -2.515 0.189
81 1HB ARG 9 2HB ARG 9 8.166 -2.367 -2.806
82 2HB ARG 9 1HB ARG 9 9.663 -2.013 -1.956
83 1HG ARG 9 2HG ARG 9 8.257 -4.675 -2.020
84 2HG ARG 9 1HG ARG 9 9.703 -4.237 -2.932
85 1HD ARG 9 2HD ARG 9 10.912 -3.875 -0.834
86 2HD ARG 9 1HD ARG 9 9.466 -4.312 0.075
87 HE ARG 9 HE ARG 9 10.080 -6.412 -1.667
88 1HH1 ARG 9 1HH1 ARG 9 11.390 -4.852 1.166
89 2HH1 ARG 9 2HH1 ARG 9 12.183 -6.281 1.739
90 1HH2 ARG 9 1HH2 ARG 9 11.121 -8.293 -0.916
91 2HH2 ARG 9 2HH2 ARG 9 12.031 -8.235 0.557
92 HA PRO 10 HA PRO 10 7.291 1.790 -1.512
93 1HB PRO 10 2HB PRO 10 4.951 2.104 -2.785
94 2HB PRO 10 1HB PRO 10 6.396 1.535 -3.630
95 1HG PRO 10 2HG PRO 10 4.073 -0.033 -2.582
96 2HG PRO 10 1HG PRO 10 4.929 -0.198 -4.126
97 1HD PRO 10 2HD PRO 10 5.379 -1.802 -1.953
98 2HD PRO 10 1HD PRO 10 6.591 -1.471 -3.204
99 H SER 11 H SER 11 7.038 1.567 0.907
100 HA SER 11 HA SER 11 4.318 1.697 1.908
101 1HB SER 11 2HB SER 11 6.970 1.934 3.353
102 2HB SER 11 1HB SER 11 5.390 1.844 4.131
103 HG SER 11 HG SER 11 6.830 -0.168 3.648
104 H ILE 12 H ILE 12 3.216 3.531 1.906
105 HA ILE 12 HA ILE 12 4.664 6.049 2.392
106 HB ILE 12 HB ILE 12 2.380 5.642 0.455
107 1HG1 ILE 12 2HG1 ILE 12 4.522 4.835 -0.411
108 2HG1 ILE 12 1HG1 ILE 12 4.027 6.301 -1.254
109 1HG2 ILE 12 1HG2 ILE 12 3.532 8.176 0.109
110 2HG2 ILE 12 2HG2 ILE 12 3.279 7.989 1.844
111 3HG2 ILE 12 3HG2 ILE 12 1.925 7.799 0.729
112 1HD1 ILE 12 1HD1 ILE 12 5.570 7.608 0.102
113 2HD1 ILE 12 2HD1 ILE 12 6.404 6.316 -0.762
114 3HD1 ILE 12 3HD1 ILE 12 6.059 6.145 0.959
Start of MODEL 3
1 1H HIS 1 1HT HIS 1 -5.776 5.704 4.955
2 2H HIS 1 2HT HIS 1 -4.119 5.910 4.558
3 3H HIS 1 3HT HIS 1 -4.651 6.132 6.175
4 HA HIS 1 HA HIS 1 -3.515 4.045 5.845
5 1HB HIS 1 2HB HIS 1 -6.475 3.889 6.465
6 2HB HIS 1 1HB HIS 1 -5.274 2.692 6.939
7 HD1 HIS 1 1HD HIS 1 -3.154 4.036 8.337
8 HD2 HIS 1 2HD HIS 1 -7.035 5.508 8.540
9 HE1 HIS 1 1HE HIS 1 -3.226 5.459 10.408
10 HE2 HIS 1 2HE HIS 1 -5.561 6.402 10.468
11 HA PRO 2 HA PRO 2 -5.045 2.741 1.645
12 1HB PRO 2 2HB PRO 2 -2.584 2.199 0.633
13 2HB PRO 2 1HB PRO 2 -3.309 3.810 0.585
14 1HG PRO 2 2HG PRO 2 -1.287 2.698 2.493
15 2HG PRO 2 1HG PRO 2 -1.329 4.287 1.708
16 1HD PRO 2 2HD PRO 2 -2.120 3.908 4.268
17 2HD PRO 2 1HD PRO 2 -2.858 5.132 3.213
18 H LEU 3 H LEU 3 -5.779 1.002 3.240
19 HA LEU 3 HA LEU 3 -4.014 -1.335 3.156
20 1HB LEU 3 2HB LEU 3 -5.433 -2.270 4.921
21 2HB LEU 3 1HB LEU 3 -4.717 -0.737 5.376
22 HG LEU 3 HG LEU 3 -6.857 0.388 4.919
23 1HD1 LEU 3 1HD1 LEU 3 -8.004 -0.822 3.330
24 2HD1 LEU 3 2HD1 LEU 3 -8.867 -1.252 4.807
25 3HD1 LEU 3 3HD1 LEU 3 -7.684 -2.365 4.121
26 1HD2 LEU 3 1HD2 LEU 3 -6.616 -0.094 7.161
27 2HD2 LEU 3 2HD2 LEU 3 -6.687 -1.836 6.902
28 3HD2 LEU 3 3HD2 LEU 3 -8.154 -0.867 6.783
29 H LYS 4 H LYS 4 -6.098 -0.143 1.125
30 HA LYS 4 HA LYS 4 -7.763 -2.507 0.753
31 1HB LYS 4 2HB LYS 4 -8.842 -0.323 0.563
32 2HB LYS 4 1HB LYS 4 -7.723 0.135 -0.714
33 1HG LYS 4 2HG LYS 4 -8.630 -1.627 -2.143
34 2HG LYS 4 1HG LYS 4 -9.752 -2.088 -0.861
35 1HD LYS 4 2HD LYS 4 -10.767 0.138 -0.954
36 2HD LYS 4 1HD LYS 4 -9.644 0.599 -2.235
37 1HE LYS 4 2HE LYS 4 -10.564 -1.158 -3.669
38 2HE LYS 4 1HE LYS 4 -11.685 -1.617 -2.388
39 1HZ LYS 4 1HZ LYS 4 -11.773 0.644 -4.206
40 2HZ LYS 4 2HZ LYS 4 -12.229 0.973 -2.611
41 3HZ LYS 4 3HZ LYS 4 -13.039 -0.223 -3.491
42 H GLN 5 H GLN 5 -4.861 -1.138 -0.416
43 HA GLN 5 HA GLN 5 -4.916 -2.858 -2.799
44 1HB GLN 5 2HB GLN 5 -4.494 -0.496 -3.261
45 2HB GLN 5 1HB GLN 5 -3.137 -0.503 -2.144
46 1HG GLN 5 2HG GLN 5 -1.963 -2.096 -3.574
47 2HG GLN 5 1HG GLN 5 -3.324 -2.092 -4.695
48 1HE2 GLN 5 1HE2 GLN 5 -0.336 -0.903 -4.220
49 2HE2 GLN 5 2HE2 GLN 5 -0.435 0.554 -5.141
50 H TYR 6 H TYR 6 -3.635 -2.644 0.322
51 HA TYR 6 HA TYR 6 -2.133 -3.898 1.476
52 1HB TYR 6 2HB TYR 6 -2.150 -5.619 -1.013
53 2HB TYR 6 1HB TYR 6 -1.451 -6.078 0.533
54 HD1 TYR 6 1HD TYR 6 -3.159 -8.020 -0.288
55 HD2 TYR 6 2HD TYR 6 -4.288 -4.263 1.366
56 HE1 TYR 6 1HE TYR 6 -5.315 -8.976 0.402
57 HE2 TYR 6 2HE TYR 6 -6.446 -5.211 2.057
58 HH TYR 6 HH TYR 6 -7.110 -8.160 2.484
59 H TRP 7 H TRP 7 -0.587 -2.250 1.497
60 HA TRP 7 HA TRP 7 1.263 -1.777 -0.583
61 1HB TRP 7 2HB TRP 7 2.527 -0.505 1.109
62 2HB TRP 7 1HB TRP 7 0.812 -0.110 1.146
63 HD1 TRP 7 HD TRP 7 3.039 -2.713 3.001
64 HE1 TRP 7 1HE TRP 7 2.371 -2.682 5.486
65 HE3 TRP 7 3HE TRP 7 -0.637 0.836 2.811
66 HZ2 TRP 7 2HZ TRP 7 0.529 -1.333 7.146
67 HZ3 TRP 7 3HZ TRP 7 -1.803 1.439 4.892
68 HH2 TRP 7 HH TRP 7 -1.231 0.375 7.014
69 H TRP 8 H TRP 8 3.758 -1.843 0.257
70 HA TRP 8 HA TRP 8 4.626 -4.115 1.659
71 1HB TRP 8 2HB TRP 8 3.625 -5.330 -0.231
72 2HB TRP 8 1HB TRP 8 4.615 -4.413 -1.352
73 HD1 TRP 8 HD TRP 8 5.159 -7.158 -1.946
74 HE1 TRP 8 1HE TRP 8 7.176 -8.538 -1.159
75 HE3 TRP 8 3HE TRP 8 6.506 -4.410 2.176
76 HZ2 TRP 8 2HZ TRP 8 9.065 -8.495 0.921
77 HZ3 TRP 8 3HZ TRP 8 8.423 -5.168 3.507
78 HH2 TRP 8 HH TRP 8 9.672 -7.171 2.897
79 H ARG 9 H ARG 9 6.147 -3.455 -1.402
80 HA ARG 9 HA ARG 9 8.509 -2.505 -0.119
81 1HB ARG 9 2HB ARG 9 7.787 -2.578 -3.053
82 2HB ARG 9 1HB ARG 9 9.385 -2.234 -2.412
83 1HG ARG 9 2HG ARG 9 7.870 -4.815 -2.082
84 2HG ARG 9 1HG ARG 9 9.216 -4.531 -3.189
85 1HD ARG 9 2HD ARG 9 10.678 -4.057 -1.284
86 2HD ARG 9 1HD ARG 9 9.334 -4.344 -0.181
87 HE ARG 9 HE ARG 9 9.652 -6.610 -1.790
88 1HH1 ARG 9 1HH1 ARG 9 11.354 -4.887 0.724
89 2HH1 ARG 9 2HH1 ARG 9 12.152 -6.301 1.326
90 1HH2 ARG 9 1HH2 ARG 9 10.700 -8.471 -0.998
91 2HH2 ARG 9 2HH2 ARG 9 11.782 -8.335 0.348
92 HA PRO 10 HA PRO 10 7.289 1.713 -2.066
93 1HB PRO 10 2HB PRO 10 4.803 2.067 -3.027
94 2HB PRO 10 1HB PRO 10 6.096 1.371 -4.012
95 1HG PRO 10 2HG PRO 10 3.881 -0.007 -2.544
96 2HG PRO 10 1HG PRO 10 4.506 -0.319 -4.173
97 1HD PRO 10 2HD PRO 10 5.191 -1.802 -1.987
98 2HD PRO 10 1HD PRO 10 6.251 -1.584 -3.394
99 H SER 11 H SER 11 5.247 -0.116 -0.018
100 HA SER 11 HA SER 11 4.133 0.365 1.905
101 1HB SER 11 2HB SER 11 5.689 2.958 1.743
102 2HB SER 11 1HB SER 11 4.815 2.381 3.162
103 HG SER 11 HG SER 11 7.290 1.782 2.387
104 H ILE 12 H ILE 12 2.966 1.035 -0.677
105 HA ILE 12 HA ILE 12 1.010 3.021 0.259
106 HB ILE 12 HB ILE 12 2.133 2.859 -2.543
107 1HG1 ILE 12 2HG1 ILE 12 3.645 3.969 -0.971
108 2HG1 ILE 12 1HG1 ILE 12 2.952 5.137 -2.091
109 1HG2 ILE 12 1HG2 ILE 12 -0.283 4.130 -1.425
110 2HG2 ILE 12 2HG2 ILE 12 0.047 3.558 -3.060
111 3HG2 ILE 12 3HG2 ILE 12 0.675 5.117 -2.528
112 1HD1 ILE 12 1HD1 ILE 12 1.195 5.197 0.012
113 2HD1 ILE 12 2HD1 ILE 12 2.502 6.345 -0.281
114 3HD1 ILE 12 3HD1 ILE 12 2.755 4.976 0.802
Start of MODEL 4
1 1H HIS 1 1HT HIS 1 -7.064 6.776 3.280
2 2H HIS 1 2HT HIS 1 -5.863 6.758 2.055
3 3H HIS 1 3HT HIS 1 -5.586 7.612 3.518
4 HA HIS 1 HA HIS 1 -4.403 5.529 3.418
5 1HB HIS 1 2HB HIS 1 -6.632 5.717 5.459
6 2HB HIS 1 1HB HIS 1 -5.163 4.765 5.646
7 HD1 HIS 1 1HD HIS 1 -2.903 6.483 5.201
8 HD2 HIS 1 2HD HIS 1 -6.408 8.034 6.809
9 HE1 HIS 1 1HE HIS 1 -2.226 8.604 6.370
10 HE2 HIS 1 2HE HIS 1 -4.348 9.479 7.408
11 HA PRO 2 HA PRO 2 -7.478 2.716 1.359
12 1HB PRO 2 2HB PRO 2 -5.769 1.769 -0.518
13 2HB PRO 2 1HB PRO 2 -6.685 3.265 -0.731
14 1HG PRO 2 2HG PRO 2 -3.837 2.892 0.116
15 2HG PRO 2 1HG PRO 2 -4.521 4.065 -1.024
16 1HD PRO 2 2HD PRO 2 -3.896 4.703 1.536
17 2HD PRO 2 1HD PRO 2 -5.231 5.472 0.655
18 H LEU 3 H LEU 3 -7.741 0.988 2.631
19 HA LEU 3 HA LEU 3 -5.415 -0.536 3.502
20 1HB LEU 3 2HB LEU 3 -6.960 -1.641 5.050
21 2HB LEU 3 1HB LEU 3 -6.958 0.101 5.232
22 HG LEU 3 HG LEU 3 -9.071 0.225 3.975
23 1HD1 LEU 3 1HD1 LEU 3 -9.177 -1.581 2.546
24 2HD1 LEU 3 2HD1 LEU 3 -10.308 -2.046 3.816
25 3HD1 LEU 3 3HD1 LEU 3 -8.683 -2.729 3.790
26 1HD2 LEU 3 1HD2 LEU 3 -9.030 -1.578 6.384
27 2HD2 LEU 3 2HD2 LEU 3 -10.493 -0.856 5.715
28 3HD2 LEU 3 3HD2 LEU 3 -9.214 0.176 6.356
29 H LYS 4 H LYS 4 -6.932 -0.595 0.767
30 HA LYS 4 HA LYS 4 -7.274 -3.515 0.666
31 1HB LYS 4 2HB LYS 4 -9.298 -2.282 0.076
32 2HB LYS 4 1HB LYS 4 -8.413 -1.387 -1.151
33 1HG LYS 4 2HG LYS 4 -8.028 -3.456 -2.389
34 2HG LYS 4 1HG LYS 4 -8.916 -4.356 -1.157
35 1HD LYS 4 2HD LYS 4 -10.926 -3.049 -1.654
36 2HD LYS 4 1HD LYS 4 -10.037 -2.149 -2.884
37 1HE LYS 4 2HE LYS 4 -9.665 -4.222 -4.128
38 2HE LYS 4 1HE LYS 4 -10.552 -5.121 -2.898
39 1HZ LYS 4 1HZ LYS 4 -12.228 -4.770 -4.351
40 2HZ LYS 4 2HZ LYS 4 -11.551 -3.360 -4.994
41 3HZ LYS 4 3HZ LYS 4 -12.363 -3.307 -3.512
42 H GLN 5 H GLN 5 -5.364 -0.900 -0.409
43 HA GLN 5 HA GLN 5 -4.422 -1.996 -2.846
44 1HB GLN 5 2HB GLN 5 -4.214 0.386 -2.341
45 2HB GLN 5 1HB GLN 5 -3.141 0.021 -0.997
46 1HG GLN 5 2HG GLN 5 -1.494 -0.887 -2.554
47 2HG GLN 5 1HG GLN 5 -2.571 -0.523 -3.903
48 1HE2 GLN 5 1HE2 GLN 5 0.070 0.521 -2.324
49 2HE2 GLN 5 2HE2 GLN 5 -0.010 2.212 -2.673
50 H TYR 6 H TYR 6 -3.589 -2.477 0.473
51 HA TYR 6 HA TYR 6 -2.104 -3.842 1.529
52 1HB TYR 6 2HB TYR 6 -2.181 -5.311 -1.115
53 2HB TYR 6 1HB TYR 6 -1.528 -5.957 0.383
54 HD1 TYR 6 1HD TYR 6 -3.326 -7.712 -0.640
55 HD2 TYR 6 2HD TYR 6 -4.275 -4.081 1.369
56 HE1 TYR 6 1HE TYR 6 -5.539 -8.612 -0.064
57 HE2 TYR 6 2HE TYR 6 -6.489 -4.972 1.945
58 HH TYR 6 HH TYR 6 -7.918 -7.429 0.501
59 H TRP 7 H TRP 7 -0.762 -1.755 1.128
60 HA TRP 7 HA TRP 7 1.315 -1.731 -0.758
61 1HB TRP 7 2HB TRP 7 2.364 -0.037 0.694
62 2HB TRP 7 1HB TRP 7 0.649 0.278 0.457
63 HD1 TRP 7 HD TRP 7 2.701 -1.704 3.111
64 HE1 TRP 7 1HE TRP 7 1.764 -1.100 5.431
65 HE3 TRP 7 3HE TRP 7 -0.980 1.542 1.681
66 HZ2 TRP 7 2HZ TRP 7 -0.266 0.538 6.511
67 HZ3 TRP 7 3HZ TRP 7 -2.375 2.585 3.419
68 HH2 TRP 7 HH TRP 7 -2.024 2.092 5.784
69 H TRP 8 H TRP 8 3.583 -2.079 -0.459
70 HA TRP 8 HA TRP 8 4.436 -3.704 1.789
71 1HB TRP 8 2HB TRP 8 3.526 -5.349 0.205
72 2HB TRP 8 1HB TRP 8 4.565 -4.717 -1.059
73 HD1 TRP 8 HD TRP 8 5.132 -7.519 -0.949
74 HE1 TRP 8 1HE TRP 8 7.118 -8.646 0.228
75 HE3 TRP 8 3HE TRP 8 6.303 -3.845 2.441
76 HZ2 TRP 8 2HZ TRP 8 8.917 -8.082 2.311
77 HZ3 TRP 8 3HZ TRP 8 8.161 -4.238 3.991
78 HH2 TRP 8 HH TRP 8 9.439 -6.315 3.932
79 H ARG 9 H ARG 9 6.136 -3.826 -1.241
80 HA ARG 9 HA ARG 9 8.506 -2.795 -0.211
81 1HB ARG 9 2HB ARG 9 7.607 -2.882 -3.096
82 2HB ARG 9 1HB ARG 9 9.258 -2.627 -2.554
83 1HG ARG 9 2HG ARG 9 7.608 -5.100 -2.084
84 2HG ARG 9 1HG ARG 9 8.902 -4.922 -3.270
85 1HD ARG 9 2HD ARG 9 10.498 -4.512 -1.461
86 2HD ARG 9 1HD ARG 9 9.204 -4.690 -0.277
87 HE ARG 9 HE ARG 9 9.281 -6.999 -1.854
88 1HH1 ARG 9 1HH1 ARG 9 11.231 -5.352 0.526
89 2HH1 ARG 9 2HH1 ARG 9 11.966 -6.805 1.112
90 1HH2 ARG 9 1HH2 ARG 9 10.248 -8.913 -1.085
91 2HH2 ARG 9 2HH2 ARG 9 11.410 -8.827 0.198
92 HA PRO 10 HA PRO 10 7.373 1.459 -2.056
93 1HB PRO 10 2HB PRO 10 4.963 1.908 -3.120
94 2HB PRO 10 1HB PRO 10 6.224 1.073 -4.037
95 1HG PRO 10 2HG PRO 10 3.857 -0.055 -2.605
96 2HG PRO 10 1HG PRO 10 4.545 -0.517 -4.170
97 1HD PRO 10 2HD PRO 10 5.005 -1.835 -1.777
98 2HD PRO 10 1HD PRO 10 6.043 -1.937 -3.209
99 H SER 11 H SER 11 5.294 3.182 -1.737
100 HA SER 11 HA SER 11 3.777 2.692 0.632
101 1HB SER 11 2HB SER 11 6.134 4.584 0.835
102 2HB SER 11 1HB SER 11 4.876 4.389 2.055
103 HG SER 11 HG SER 11 5.891 2.702 2.758
104 H ILE 12 H ILE 12 1.963 3.529 -0.216
105 HA ILE 12 HA ILE 12 0.459 5.056 -0.983
106 HB ILE 12 HB ILE 12 2.529 7.055 -0.057
107 1HG1 ILE 12 2HG1 ILE 12 1.738 5.594 1.741
108 2HG1 ILE 12 1HG1 ILE 12 1.114 7.228 1.952
109 1HG2 ILE 12 1HG2 ILE 12 -0.350 7.398 -0.868
110 2HG2 ILE 12 2HG2 ILE 12 1.072 8.172 -1.567
111 3HG2 ILE 12 3HG2 ILE 12 0.548 8.599 0.062
112 1HD1 ILE 12 1HD1 ILE 12 -0.685 5.829 2.436
113 2HD1 ILE 12 2HD1 ILE 12 -0.344 4.768 1.068
114 3HD1 ILE 12 3HD1 ILE 12 -0.990 6.385 0.789
Start of MODEL 5
1 1H HIS 1 1HT HIS 1 -6.702 5.364 6.012
2 2H HIS 1 2HT HIS 1 -5.632 5.828 7.270
3 3H HIS 1 3HT HIS 1 -6.719 4.520 7.504
4 HA HIS 1 HA HIS 1 -4.392 4.652 5.714
5 1HB HIS 1 2HB HIS 1 -5.118 2.905 8.078
6 2HB HIS 1 1HB HIS 1 -3.655 2.749 7.111
7 HD1 HIS 1 1HD HIS 1 -2.346 5.306 7.025
8 HD2 HIS 1 2HD HIS 1 -4.579 4.226 10.359
9 HE1 HIS 1 1HE HIS 1 -1.506 6.760 8.896
10 HE2 HIS 1 2HE HIS 1 -2.800 6.015 10.925
11 HA PRO 2 HA PRO 2 -7.386 2.051 3.404
12 1HB PRO 2 2HB PRO 2 -6.137 2.362 1.004
13 2HB PRO 2 1HB PRO 2 -7.304 3.522 1.645
14 1HG PRO 2 2HG PRO 2 -4.313 3.623 1.688
15 2HG PRO 2 1HG PRO 2 -5.472 4.920 1.340
16 1HD PRO 2 2HD PRO 2 -4.257 4.677 3.740
17 2HD PRO 2 1HD PRO 2 -5.911 5.300 3.574
18 H LEU 3 H LEU 3 -7.037 -0.034 3.868
19 HA LEU 3 HA LEU 3 -4.416 -1.197 3.266
20 1HB LEU 3 2HB LEU 3 -5.075 -3.034 4.751
21 2HB LEU 3 1HB LEU 3 -5.096 -1.478 5.553
22 HG LEU 3 HG LEU 3 -7.546 -1.411 5.345
23 1HD1 LEU 3 1HD1 LEU 3 -8.614 -3.703 4.833
24 2HD1 LEU 3 2HD1 LEU 3 -7.117 -4.023 3.958
25 3HD1 LEU 3 3HD1 LEU 3 -8.138 -2.662 3.493
26 1HD2 LEU 3 1HD2 LEU 3 -6.492 -2.296 7.363
27 2HD2 LEU 3 2HD2 LEU 3 -6.499 -3.912 6.658
28 3HD2 LEU 3 3HD2 LEU 3 -8.023 -3.104 7.025
29 H LYS 4 H LYS 4 -6.872 -0.693 1.452
30 HA LYS 4 HA LYS 4 -7.515 -3.391 0.608
31 1HB LYS 4 2HB LYS 4 -9.279 -1.701 0.605
32 2HB LYS 4 1HB LYS 4 -8.350 -0.713 -0.513
33 1HG LYS 4 2HG LYS 4 -8.541 -2.453 -2.216
34 2HG LYS 4 1HG LYS 4 -9.474 -3.446 -1.093
35 1HD LYS 4 2HD LYS 4 -11.197 -1.708 -0.994
36 2HD LYS 4 1HD LYS 4 -10.262 -0.717 -2.114
37 1HE LYS 4 2HE LYS 4 -10.468 -2.456 -3.822
38 2HE LYS 4 1HE LYS 4 -11.401 -3.448 -2.701
39 1HZ LYS 4 1HZ LYS 4 -13.117 -2.452 -3.734
40 2HZ LYS 4 2HZ LYS 4 -12.209 -1.112 -4.225
41 3HZ LYS 4 3HZ LYS 4 -12.805 -1.194 -2.645
42 H GLN 5 H GLN 5 -5.229 -0.971 -0.147
43 HA GLN 5 HA GLN 5 -4.751 -1.885 -2.848
44 1HB GLN 5 2HB GLN 5 -4.466 0.483 -2.313
45 2HB GLN 5 1HB GLN 5 -3.233 0.080 -1.125
46 1HG GLN 5 2HG GLN 5 -1.804 -0.795 -2.902
47 2HG GLN 5 1HG GLN 5 -3.041 -0.392 -4.093
48 1HE2 GLN 5 1HE2 GLN 5 -0.212 0.600 -2.844
49 2HE2 GLN 5 2HE2 GLN 5 -0.324 2.299 -3.136
50 H TYR 6 H TYR 6 -3.636 -2.623 0.313
51 HA TYR 6 HA TYR 6 -2.104 -4.099 1.116
52 1HB TYR 6 2HB TYR 6 -2.165 -5.152 -1.721
53 2HB TYR 6 1HB TYR 6 -1.454 -5.986 -0.344
54 HD1 TYR 6 1HD TYR 6 -3.190 -7.651 -1.597
55 HD2 TYR 6 2HD TYR 6 -4.263 -4.412 0.947
56 HE1 TYR 6 1HE TYR 6 -5.349 -8.733 -1.136
57 HE2 TYR 6 2HE TYR 6 -6.423 -5.484 1.411
58 HH TYR 6 HH TYR 6 -7.095 -8.721 0.537
59 H TRP 7 H TRP 7 -0.582 -2.419 1.465
60 HA TRP 7 HA TRP 7 1.375 -1.818 -0.568
61 1HB TRP 7 2HB TRP 7 2.392 -0.377 1.154
62 2HB TRP 7 1HB TRP 7 0.669 -0.062 0.974
63 HD1 TRP 7 HD TRP 7 2.768 -2.430 3.248
64 HE1 TRP 7 1HE TRP 7 1.823 -2.254 5.637
65 HE3 TRP 7 3HE TRP 7 -0.975 0.943 2.394
66 HZ2 TRP 7 2HZ TRP 7 -0.237 -0.867 6.981
67 HZ3 TRP 7 3HZ TRP 7 -2.388 1.643 4.284
68 HH2 TRP 7 HH TRP 7 -2.025 0.756 6.529
69 H TRP 8 H TRP 8 3.765 -1.808 0.260
70 HA TRP 8 HA TRP 8 4.669 -3.772 2.044
71 1HB TRP 8 2HB TRP 8 3.684 -5.334 0.420
72 2HB TRP 8 1HB TRP 8 4.653 -4.627 -0.859
73 HD1 TRP 8 HD TRP 8 5.239 -7.425 -0.937
74 HE1 TRP 8 1HE TRP 8 7.286 -8.602 0.074
75 HE3 TRP 8 3HE TRP 8 6.559 -3.942 2.596
76 HZ2 TRP 8 2HZ TRP 8 9.184 -8.144 2.095
77 HZ3 TRP 8 3HZ TRP 8 8.494 -4.409 4.028
78 HH2 TRP 8 HH TRP 8 9.777 -6.470 3.788
79 H ARG 9 H ARG 9 6.144 -3.648 -1.110
80 HA ARG 9 HA ARG 9 8.542 -2.546 -0.078
81 1HB ARG 9 2HB ARG 9 7.671 -2.930 -2.946
82 2HB ARG 9 1HB ARG 9 9.306 -2.550 -2.425
83 1HG ARG 9 2HG ARG 9 7.769 -5.048 -1.740
84 2HG ARG 9 1HG ARG 9 9.065 -4.914 -2.931
85 1HD ARG 9 2HD ARG 9 10.624 -4.268 -1.159
86 2HD ARG 9 1HD ARG 9 9.329 -4.401 0.029
87 HE ARG 9 HE ARG 9 9.530 -6.836 -1.331
88 1HH1 ARG 9 1HH1 ARG 9 11.377 -4.892 0.902
89 2HH1 ARG 9 2HH1 ARG 9 12.175 -6.250 1.619
90 1HH2 ARG 9 1HH2 ARG 9 10.579 -8.624 -0.390
91 2HH2 ARG 9 2HH2 ARG 9 11.723 -8.370 0.885
92 HA PRO 10 HA PRO 10 7.264 1.431 -2.477
93 1HB PRO 10 2HB PRO 10 4.683 1.728 -3.213
94 2HB PRO 10 1HB PRO 10 5.879 0.935 -4.245
95 1HG PRO 10 2HG PRO 10 3.823 -0.285 -2.444
96 2HG PRO 10 1HG PRO 10 4.290 -0.755 -4.089
97 1HD PRO 10 2HD PRO 10 5.185 -2.043 -1.874
98 2HD PRO 10 1HD PRO 10 6.134 -1.920 -3.367
99 H SER 11 H SER 11 5.107 -0.060 -0.210
100 HA SER 11 HA SER 11 3.971 0.705 1.617
101 1HB SER 11 2HB SER 11 6.269 2.677 1.642
102 2HB SER 11 1HB SER 11 5.193 2.350 2.999
103 HG SER 11 HG SER 11 6.707 0.931 3.434
104 H ILE 12 H ILE 12 3.251 1.861 -0.991
105 HA ILE 12 HA ILE 12 2.456 4.587 -0.321
106 HB ILE 12 HB ILE 12 2.088 3.015 -2.877
107 1HG1 ILE 12 2HG1 ILE 12 4.433 3.537 -2.405
108 2HG1 ILE 12 1HG1 ILE 12 3.846 4.497 -3.760
109 1HG2 ILE 12 1HG2 ILE 12 0.404 4.552 -3.064
110 2HG2 ILE 12 2HG2 ILE 12 1.750 5.500 -3.696
111 3HG2 ILE 12 3HG2 ILE 12 1.214 5.730 -2.032
112 1HD1 ILE 12 1HD1 ILE 12 4.805 6.195 -2.674
113 2HD1 ILE 12 2HD1 ILE 12 4.817 5.335 -1.134
114 3HD1 ILE 12 3HD1 ILE 12 3.353 6.160 -1.673
Start of MODEL 6
1 1H HIS 1 1HT HIS 1 -4.022 8.267 3.308
2 2H HIS 1 2HT HIS 1 -5.436 7.676 4.079
3 3H HIS 1 3HT HIS 1 -5.184 7.387 2.407
4 HA HIS 1 HA HIS 1 -3.135 6.174 3.050
5 1HB HIS 1 2HB HIS 1 -4.506 6.366 5.742
6 2HB HIS 1 1HB HIS 1 -3.112 5.353 5.383
7 HD1 HIS 1 1HD HIS 1 -1.067 7.003 4.221
8 HD2 HIS 1 2HD HIS 1 -3.716 8.619 6.983
9 HE1 HIS 1 1HE HIS 1 0.075 9.050 5.128
10 HE2 HIS 1 2HE HIS 1 -1.512 9.964 6.859
11 HA PRO 2 HA PRO 2 -6.703 3.483 1.951
12 1HB PRO 2 2HB PRO 2 -5.377 2.148 -0.012
13 2HB PRO 2 1HB PRO 2 -6.186 3.696 -0.276
14 1HG PRO 2 2HG PRO 2 -3.286 3.134 0.207
15 2HG PRO 2 1HG PRO 2 -4.031 4.244 -0.958
16 1HD PRO 2 2HD PRO 2 -2.979 5.097 1.380
17 2HD PRO 2 1HD PRO 2 -4.388 5.876 0.634
18 H LEU 3 H LEU 3 -6.949 1.161 2.059
19 HA LEU 3 HA LEU 3 -4.709 -0.304 3.221
20 1HB LEU 3 2HB LEU 3 -6.104 -1.172 5.040
21 2HB LEU 3 1HB LEU 3 -5.867 0.560 5.140
22 HG LEU 3 HG LEU 3 -8.125 0.913 4.229
23 1HD1 LEU 3 1HD1 LEU 3 -8.654 -0.917 2.915
24 2HD1 LEU 3 2HD1 LEU 3 -9.643 -1.170 4.352
25 3HD1 LEU 3 3HD1 LEU 3 -8.144 -2.074 4.144
26 1HD2 LEU 3 1HD2 LEU 3 -9.283 -0.353 6.264
27 2HD2 LEU 3 2HD2 LEU 3 -8.271 1.074 6.484
28 3HD2 LEU 3 3HD2 LEU 3 -7.600 -0.533 6.755
29 H LYS 4 H LYS 4 -6.543 -0.269 0.730
30 HA LYS 4 HA LYS 4 -7.345 -3.096 0.840
31 1HB LYS 4 2HB LYS 4 -9.187 -1.569 0.349
32 2HB LYS 4 1HB LYS 4 -8.288 -0.897 -1.005
33 1HG LYS 4 2HG LYS 4 -8.370 -3.060 -2.136
34 2HG LYS 4 1HG LYS 4 -9.270 -3.736 -0.777
35 1HD LYS 4 2HD LYS 4 -11.077 -2.134 -1.180
36 2HD LYS 4 1HD LYS 4 -10.175 -1.458 -2.538
37 1HE LYS 4 2HE LYS 4 -10.270 -3.623 -3.674
38 2HE LYS 4 1HE LYS 4 -11.168 -4.297 -2.316
39 1HZ LYS 4 1HZ LYS 4 -12.070 -2.547 -4.450
40 2HZ LYS 4 2HZ LYS 4 -12.682 -2.197 -2.913
41 3HZ LYS 4 3HZ LYS 4 -12.918 -3.730 -3.586
42 H GLN 5 H GLN 5 -5.154 -0.891 -0.571
43 HA GLN 5 HA GLN 5 -4.618 -2.417 -2.943
44 1HB GLN 5 2HB GLN 5 -4.260 0.000 -2.918
45 2HB GLN 5 1HB GLN 5 -3.061 -0.177 -1.644
46 1HG GLN 5 2HG GLN 5 -1.634 -1.452 -3.161
47 2HG GLN 5 1HG GLN 5 -2.838 -1.277 -4.438
48 1HE2 GLN 5 1HE2 GLN 5 0.003 -0.123 -3.358
49 2HE2 GLN 5 2HE2 GLN 5 -0.047 1.476 -4.010
50 H TYR 6 H TYR 6 -3.622 -2.556 0.327
51 HA TYR 6 HA TYR 6 -2.174 -3.899 1.453
52 1HB TYR 6 2HB TYR 6 -2.111 -5.428 -1.158
53 2HB TYR 6 1HB TYR 6 -1.487 -6.018 0.377
54 HD1 TYR 6 1HD TYR 6 -3.190 -7.856 -0.660
55 HD2 TYR 6 2HD TYR 6 -4.328 -4.213 1.224
56 HE1 TYR 6 1HE TYR 6 -5.390 -8.819 -0.136
57 HE2 TYR 6 2HE TYR 6 -6.530 -5.167 1.749
58 HH TYR 6 HH TYR 6 -7.630 -8.115 0.391
59 H TRP 7 H TRP 7 -0.697 -2.095 1.491
60 HA TRP 7 HA TRP 7 1.287 -1.638 -0.436
61 1HB TRP 7 2HB TRP 7 2.459 -0.390 1.337
62 2HB TRP 7 1HB TRP 7 0.745 0.008 1.282
63 HD1 TRP 7 HD TRP 7 2.857 -2.622 3.232
64 HE1 TRP 7 1HE TRP 7 2.054 -2.612 5.676
65 HE3 TRP 7 3HE TRP 7 -0.785 0.947 2.873
66 HZ2 TRP 7 2HZ TRP 7 0.130 -1.267 7.246
67 HZ3 TRP 7 3HZ TRP 7 -2.061 1.538 4.892
68 HH2 TRP 7 HH TRP 7 -1.612 0.451 7.033
69 H TRP 8 H TRP 8 3.717 -1.790 0.262
70 HA TRP 8 HA TRP 8 4.624 -3.938 1.816
71 1HB TRP 8 2HB TRP 8 3.493 -5.310 0.119
72 2HB TRP 8 1HB TRP 8 4.424 -4.528 -1.145
73 HD1 TRP 8 HD TRP 8 4.884 -7.329 -1.498
74 HE1 TRP 8 1HE TRP 8 6.928 -8.669 -0.708
75 HE3 TRP 8 3HE TRP 8 6.533 -4.228 2.247
76 HZ2 TRP 8 2HZ TRP 8 8.945 -8.467 1.237
77 HZ3 TRP 8 3HZ TRP 8 8.518 -4.895 3.523
78 HH2 TRP 8 HH TRP 8 9.697 -6.973 3.034
79 H ARG 9 H ARG 9 5.945 -3.593 -1.389
80 HA ARG 9 HA ARG 9 8.446 -2.716 -0.417
81 1HB ARG 9 2HB ARG 9 7.368 -2.698 -3.240
82 2HB ARG 9 1HB ARG 9 9.053 -2.465 -2.796
83 1HG ARG 9 2HG ARG 9 7.427 -4.952 -2.307
84 2HG ARG 9 1HG ARG 9 8.645 -4.733 -3.565
85 1HD ARG 9 2HD ARG 9 10.353 -4.387 -1.847
86 2HD ARG 9 1HD ARG 9 9.134 -4.603 -0.591
87 HE ARG 9 HE ARG 9 9.106 -6.859 -2.245
88 1HH1 ARG 9 1HH1 ARG 9 11.210 -5.291 0.057
89 2HH1 ARG 9 2HH1 ARG 9 11.976 -6.764 0.549
90 1HH2 ARG 9 1HH2 ARG 9 10.112 -8.798 -1.599
91 2HH2 ARG 9 2HH2 ARG 9 11.354 -8.755 -0.391
92 HA PRO 10 HA PRO 10 7.254 1.587 -2.233
93 1HB PRO 10 2HB PRO 10 4.648 2.099 -2.732
94 2HB PRO 10 1HB PRO 10 5.726 1.389 -3.940
95 1HG PRO 10 2HG PRO 10 3.735 0.044 -2.154
96 2HG PRO 10 1HG PRO 10 4.058 -0.230 -3.876
97 1HD PRO 10 2HD PRO 10 5.032 -1.838 -1.923
98 2HD PRO 10 1HD PRO 10 5.889 -1.554 -3.449
99 H SER 11 H SER 11 5.094 -0.041 -0.052
100 HA SER 11 HA SER 11 4.112 0.553 1.921
101 1HB SER 11 2HB SER 11 6.592 2.281 2.096
102 2HB SER 11 1HB SER 11 5.545 1.862 3.452
103 HG SER 11 HG SER 11 6.171 -0.244 3.285
104 H ILE 12 H ILE 12 2.241 1.587 1.366
105 HA ILE 12 HA ILE 12 2.084 4.225 0.370
106 HB ILE 12 HB ILE 12 -0.027 2.593 1.791
107 1HG1 ILE 12 2HG1 ILE 12 0.813 1.511 -0.237
108 2HG1 ILE 12 1HG1 ILE 12 -0.830 2.093 -0.483
109 1HG2 ILE 12 1HG2 ILE 12 -0.054 5.286 0.584
110 2HG2 ILE 12 2HG2 ILE 12 -1.057 4.603 1.864
111 3HG2 ILE 12 3HG2 ILE 12 -1.412 4.238 0.175
112 1HD1 ILE 12 1HD1 ILE 12 1.533 2.679 -1.965
113 2HD1 ILE 12 2HD1 ILE 12 0.880 4.170 -1.286
114 3HD1 ILE 12 3HD1 ILE 12 -0.136 3.142 -2.297
Start of MODEL 7
1 1H HIS 1 1HT HIS 1 -6.731 7.488 -1.007
2 2H HIS 1 2HT HIS 1 -7.491 5.971 -0.750
3 3H HIS 1 3HT HIS 1 -6.677 6.287 -2.228
4 HA HIS 1 HA HIS 1 -4.603 6.386 -1.139
5 1HB HIS 1 2HB HIS 1 -6.233 5.883 1.364
6 2HB HIS 1 1HB HIS 1 -4.475 5.924 1.289
7 HD1 HIS 1 1HD HIS 1 -3.675 8.395 0.060
8 HD2 HIS 1 2HD HIS 1 -7.172 8.224 2.299
9 HE1 HIS 1 1HE HIS 1 -4.159 10.769 0.733
10 HE2 HIS 1 2HE HIS 1 -6.223 10.627 2.171
11 HA PRO 2 HA PRO 2 -4.647 2.001 -1.764
12 1HB PRO 2 2HB PRO 2 -2.055 1.439 -1.411
13 2HB PRO 2 1HB PRO 2 -2.605 2.420 -2.776
14 1HG PRO 2 2HG PRO 2 -1.371 3.290 -0.193
15 2HG PRO 2 1HG PRO 2 -1.064 3.883 -1.836
16 1HD PRO 2 2HD PRO 2 -2.703 5.137 -0.014
17 2HD PRO 2 1HD PRO 2 -2.842 5.318 -1.773
18 H LEU 3 H LEU 3 -5.751 2.470 0.679
19 HA LEU 3 HA LEU 3 -4.209 1.077 2.698
20 1HB LEU 3 2HB LEU 3 -6.083 1.585 4.192
21 2HB LEU 3 1HB LEU 3 -5.450 3.015 3.402
22 HG LEU 3 HG LEU 3 -7.343 2.974 1.830
23 1HD1 LEU 3 1HD1 LEU 3 -8.173 0.875 1.573
24 2HD1 LEU 3 2HD1 LEU 3 -9.311 1.481 2.775
25 3HD1 LEU 3 3HD1 LEU 3 -7.963 0.461 3.275
26 1HD2 LEU 3 1HD2 LEU 3 -7.358 4.194 4.047
27 2HD2 LEU 3 2HD2 LEU 3 -8.366 2.879 4.653
28 3HD2 LEU 3 3HD2 LEU 3 -8.932 3.879 3.315
29 H LYS 4 H LYS 4 -6.321 0.224 0.232
30 HA LYS 4 HA LYS 4 -7.079 -2.260 1.613
31 1HB LYS 4 2HB LYS 4 -9.000 -0.934 0.895
32 2HB LYS 4 1HB LYS 4 -8.384 -0.906 -0.751
33 1HG LYS 4 2HG LYS 4 -8.654 -3.329 -0.897
34 2HG LYS 4 1HG LYS 4 -9.271 -3.357 0.757
35 1HD LYS 4 2HD LYS 4 -11.138 -1.925 0.084
36 2HD LYS 4 1HD LYS 4 -10.521 -1.896 -1.569
37 1HE LYS 4 2HE LYS 4 -10.810 -4.321 -1.716
38 2HE LYS 4 1HE LYS 4 -11.426 -4.349 -0.065
39 1HZ LYS 4 1HZ LYS 4 -12.987 -4.188 -2.204
40 2HZ LYS 4 2HZ LYS 4 -12.771 -2.539 -1.897
41 3HZ LYS 4 3HZ LYS 4 -13.415 -3.544 -0.699
42 H GLN 5 H GLN 5 -5.247 -0.922 -0.940
43 HA GLN 5 HA GLN 5 -5.149 -3.226 -2.617
44 1HB GLN 5 2HB GLN 5 -4.676 -0.995 -3.496
45 2HB GLN 5 1HB GLN 5 -3.286 -0.854 -2.429
46 1HG GLN 5 2HG GLN 5 -2.204 -2.709 -3.589
47 2HG GLN 5 1HG GLN 5 -3.598 -2.851 -4.659
48 1HE2 GLN 5 1HE2 GLN 5 -0.564 -1.701 -4.469
49 2HE2 GLN 5 2HE2 GLN 5 -0.647 -0.421 -5.626
50 H TYR 6 H TYR 6 -3.587 -2.318 0.295
51 HA TYR 6 HA TYR 6 -2.032 -3.334 1.605
52 1HB TYR 6 2HB TYR 6 -2.522 -5.682 -0.240
53 2HB TYR 6 1HB TYR 6 -1.662 -5.760 1.291
54 HD1 TYR 6 1HD TYR 6 -3.615 -7.640 1.271
55 HD2 TYR 6 2HD TYR 6 -4.206 -3.461 1.832
56 HE1 TYR 6 1HE TYR 6 -5.731 -8.098 2.435
57 HE2 TYR 6 2HE TYR 6 -6.322 -3.911 2.994
58 HH TYR 6 HH TYR 6 -7.208 -6.983 4.082
59 H TRP 7 H TRP 7 -0.438 -1.856 0.834
60 HA TRP 7 HA TRP 7 1.197 -2.404 -1.419
61 1HB TRP 7 2HB TRP 7 2.662 -0.637 -0.520
62 2HB TRP 7 1HB TRP 7 0.972 -0.141 -0.527
63 HD1 TRP 7 HD TRP 7 3.279 -1.884 2.086
64 HE1 TRP 7 1HE TRP 7 2.857 -0.769 4.366
65 HE3 TRP 7 3HE TRP 7 -0.273 1.516 0.682
66 HZ2 TRP 7 2HZ TRP 7 1.234 1.281 5.430
67 HZ3 TRP 7 3HZ TRP 7 -1.210 3.017 2.394
68 HH2 TRP 7 HH TRP 7 -0.471 2.900 4.718
69 H TRP 8 H TRP 8 3.764 -2.278 -0.791
70 HA TRP 8 HA TRP 8 4.350 -4.325 1.212
71 1HB TRP 8 2HB TRP 8 4.038 -5.521 -0.917
72 2HB TRP 8 1HB TRP 8 5.232 -4.485 -1.678
73 HD1 TRP 8 HD TRP 8 6.146 -7.152 -2.154
74 HE1 TRP 8 1HE TRP 8 7.953 -8.424 -0.844
75 HE3 TRP 8 3HE TRP 8 6.011 -4.515 2.248
76 HZ2 TRP 8 2HZ TRP 8 9.145 -8.347 1.700
77 HZ3 TRP 8 3HZ TRP 8 7.511 -5.198 4.063
78 HH2 TRP 8 HH TRP 8 9.042 -7.078 3.798
79 H ARG 9 H ARG 9 6.573 -3.350 -1.295
80 HA ARG 9 HA ARG 9 8.381 -2.269 0.654
81 1HB ARG 9 2HB ARG 9 8.596 -2.387 -2.358
82 2HB ARG 9 1HB ARG 9 9.889 -1.909 -1.269
83 1HG ARG 9 2HG ARG 9 8.570 -4.614 -1.361
84 2HG ARG 9 1HG ARG 9 10.157 -4.207 -2.016
85 1HD ARG 9 2HD ARG 9 10.928 -3.618 0.233
86 2HD ARG 9 1HD ARG 9 9.343 -4.029 0.884
87 HE ARG 9 HE ARG 9 10.326 -6.247 -0.506
88 1HH1 ARG 9 1HH1 ARG 9 11.033 -4.396 2.367
89 2HH1 ARG 9 2HH1 ARG 9 11.730 -5.739 3.210
90 1HH2 ARG 9 1HH2 ARG 9 11.240 -8.013 0.602
91 2HH2 ARG 9 2HH2 ARG 9 11.848 -7.792 2.210
92 HA PRO 10 HA PRO 10 7.377 1.841 -1.552
93 1HB PRO 10 2HB PRO 10 5.432 1.988 -3.379
94 2HB PRO 10 1HB PRO 10 7.032 1.367 -3.795
95 1HG PRO 10 2HG PRO 10 4.502 -0.121 -3.257
96 2HG PRO 10 1HG PRO 10 5.760 -0.443 -4.463
97 1HD PRO 10 2HD PRO 10 5.508 -1.735 -2.017
98 2HD PRO 10 1HD PRO 10 6.981 -1.686 -3.003
99 H SER 11 H SER 11 5.109 3.267 -1.997
100 HA SER 11 HA SER 11 3.323 4.235 -0.978
101 1HB SER 11 2HB SER 11 2.801 1.424 0.021
102 2HB SER 11 1HB SER 11 1.656 2.761 0.098
103 HG SER 11 HG SER 11 1.914 2.854 -2.258
104 H ILE 12 H ILE 12 4.621 5.512 0.369
105 HA ILE 12 HA ILE 12 5.289 6.398 2.356
106 HB ILE 12 HB ILE 12 3.450 4.306 3.534
107 1HG1 ILE 12 2HG1 ILE 12 2.297 5.856 2.029
108 2HG1 ILE 12 1HG1 ILE 12 1.839 6.162 3.702
109 1HG2 ILE 12 1HG2 ILE 12 3.467 6.288 5.347
110 2HG2 ILE 12 2HG2 ILE 12 5.119 6.417 4.746
111 3HG2 ILE 12 3HG2 ILE 12 4.544 4.893 5.423
112 1HD1 ILE 12 1HD1 ILE 12 2.369 8.285 3.411
113 2HD1 ILE 12 2HD1 ILE 12 2.956 7.947 1.783
114 3HD1 ILE 12 3HD1 ILE 12 4.049 7.811 3.160
Start of MODEL 8
1 1H HIS 1 1HT HIS 1 -6.623 8.071 1.245
2 2H HIS 1 2HT HIS 1 -5.207 7.676 0.358
3 3H HIS 1 3HT HIS 1 -5.118 8.766 1.681
4 HA HIS 1 HA HIS 1 -4.299 6.821 2.515
5 1HB HIS 1 2HB HIS 1 -7.262 6.937 3.134
6 2HB HIS 1 1HB HIS 1 -6.050 6.120 4.115
7 HD1 HIS 1 1HD HIS 1 -3.957 7.991 4.721
8 HD2 HIS 1 2HD HIS 1 -7.856 9.332 4.206
9 HE1 HIS 1 1HE HIS 1 -4.059 10.221 5.879
10 HE2 HIS 1 2HE HIS 1 -6.401 11.055 5.472
11 HA PRO 2 HA PRO 2 -5.834 3.650 -0.510
12 1HB PRO 2 2HB PRO 2 -3.423 2.853 -1.409
13 2HB PRO 2 1HB PRO 2 -4.244 4.276 -2.060
14 1HG PRO 2 2HG PRO 2 -2.038 4.120 -0.044
15 2HG PRO 2 1HG PRO 2 -2.232 5.238 -1.406
16 1HD PRO 2 2HD PRO 2 -2.846 5.889 1.173
17 2HD PRO 2 1HD PRO 2 -3.645 6.615 -0.235
18 H LEU 3 H LEU 3 -6.412 2.660 1.606
19 HA LEU 3 HA LEU 3 -4.388 0.861 2.687
20 1HB LEU 3 2HB LEU 3 -5.980 0.460 4.504
21 2HB LEU 3 1HB LEU 3 -5.597 2.157 4.311
22 HG LEU 3 HG LEU 3 -7.743 2.501 3.157
23 1HD1 LEU 3 1HD1 LEU 3 -8.484 0.602 2.160
24 2HD1 LEU 3 2HD1 LEU 3 -9.399 0.495 3.663
25 3HD1 LEU 3 3HD1 LEU 3 -7.917 -0.439 3.466
26 1HD2 LEU 3 1HD2 LEU 3 -9.180 2.214 5.137
27 2HD2 LEU 3 2HD2 LEU 3 -7.610 2.914 5.530
28 3HD2 LEU 3 3HD2 LEU 3 -7.928 1.213 5.874
29 H LYS 4 H LYS 4 -6.886 0.793 0.432
30 HA LYS 4 HA LYS 4 -7.425 -2.056 0.823
31 1HB LYS 4 2HB LYS 4 -9.357 -0.600 0.451
32 2HB LYS 4 1HB LYS 4 -8.668 -0.052 -1.071
33 1HG LYS 4 2HG LYS 4 -8.850 -2.315 -1.971
34 2HG LYS 4 1HG LYS 4 -9.540 -2.866 -0.443
35 1HD LYS 4 2HD LYS 4 -11.424 -1.331 -0.742
36 2HD LYS 4 1HD LYS 4 -10.732 -0.779 -2.269
37 1HE LYS 4 2HE LYS 4 -10.928 -3.045 -3.173
38 2HE LYS 4 1HE LYS 4 -11.617 -3.595 -1.646
39 1HZ LYS 4 1HZ LYS 4 -13.153 -2.939 -3.619
40 2HZ LYS 4 2HZ LYS 4 -12.892 -1.363 -3.067
41 3HZ LYS 4 3HZ LYS 4 -13.582 -2.513 -2.038
42 H GLN 5 H GLN 5 -5.230 -2.631 0.204
43 HA GLN 5 HA GLN 5 -5.037 -3.572 -2.409
44 1HB GLN 5 2HB GLN 5 -4.734 -1.232 -3.048
45 2HB GLN 5 1HB GLN 5 -3.398 -1.083 -1.915
46 1HG GLN 5 2HG GLN 5 -2.119 -2.714 -3.206
47 2HG GLN 5 1HG GLN 5 -3.460 -2.865 -4.340
48 1HE2 GLN 5 1HE2 GLN 5 -0.546 -1.491 -3.921
49 2HE2 GLN 5 2HE2 GLN 5 -0.705 -0.112 -4.950
50 H TYR 6 H TYR 6 -3.469 -2.637 0.536
51 HA TYR 6 HA TYR 6 -1.892 -3.649 1.822
52 1HB TYR 6 2HB TYR 6 -2.208 -5.945 -0.124
53 2HB TYR 6 1HB TYR 6 -1.342 -6.022 1.403
54 HD1 TYR 6 1HD TYR 6 -3.148 -8.042 1.298
55 HD2 TYR 6 2HD TYR 6 -4.049 -3.949 2.043
56 HE1 TYR 6 1HE TYR 6 -5.220 -8.709 2.440
57 HE2 TYR 6 2HE TYR 6 -6.122 -4.607 3.185
58 HH TYR 6 HH TYR 6 -7.714 -6.742 3.028
59 H TRP 7 H TRP 7 -0.424 -2.022 1.125
60 HA TRP 7 HA TRP 7 1.224 -2.244 -1.144
61 1HB TRP 7 2HB TRP 7 2.629 -0.542 -0.044
62 2HB TRP 7 1HB TRP 7 0.919 -0.126 0.033
63 HD1 TRP 7 HD TRP 7 3.345 -2.085 2.369
64 HE1 TRP 7 1HE TRP 7 2.917 -1.294 4.781
65 HE3 TRP 7 3HE TRP 7 -0.374 1.308 1.466
66 HZ2 TRP 7 2HZ TRP 7 1.230 0.527 6.122
67 HZ3 TRP 7 3HZ TRP 7 -1.340 2.531 3.369
68 HH2 TRP 7 HH TRP 7 -0.554 2.147 5.648
69 H TRP 8 H TRP 8 3.733 -2.255 -0.802
70 HA TRP 8 HA TRP 8 4.532 -4.364 1.062
71 1HB TRP 8 2HB TRP 8 4.018 -5.473 -1.072
72 2HB TRP 8 1HB TRP 8 5.117 -4.390 -1.907
73 HD1 TRP 8 HD TRP 8 5.997 -7.027 -2.586
74 HE1 TRP 8 1HE TRP 8 7.947 -8.322 -1.530
75 HE3 TRP 8 3HE TRP 8 6.308 -4.569 1.911
76 HZ2 TRP 8 2HZ TRP 8 9.405 -8.328 0.873
77 HZ3 TRP 8 3HZ TRP 8 8.003 -5.301 3.525
78 HH2 TRP 8 HH TRP 8 9.516 -7.146 3.020
79 H ARG 9 H ARG 9 6.546 -3.330 -1.583
80 HA ARG 9 HA ARG 9 8.543 -2.358 0.194
81 1HB ARG 9 2HB ARG 9 8.357 -2.143 -2.816
82 2HB ARG 9 1HB ARG 9 9.784 -1.775 -1.859
83 1HG ARG 9 2HG ARG 9 8.453 -4.466 -2.079
84 2HG ARG 9 1HG ARG 9 9.945 -3.972 -2.882
85 1HD ARG 9 2HD ARG 9 11.002 -3.631 -0.701
86 2HD ARG 9 1HD ARG 9 9.511 -4.127 0.099
87 HE ARG 9 HE ARG 9 10.297 -6.166 -1.648
88 1HH1 ARG 9 1HH1 ARG 9 11.363 -4.650 1.310
89 2HH1 ARG 9 2HH1 ARG 9 12.157 -6.071 1.900
90 1HH2 ARG 9 1HH2 ARG 9 11.343 -8.036 -0.873
91 2HH2 ARG 9 2HH2 ARG 9 12.147 -7.993 0.661
92 HA PRO 10 HA PRO 10 7.314 1.964 -1.489
93 1HB PRO 10 2HB PRO 10 5.044 2.265 -2.890
94 2HB PRO 10 1HB PRO 10 6.550 1.753 -3.661
95 1HG PRO 10 2HG PRO 10 4.208 0.102 -2.799
96 2HG PRO 10 1HG PRO 10 5.160 0.001 -4.292
97 1HD PRO 10 2HD PRO 10 5.518 -1.655 -2.143
98 2HD PRO 10 1HD PRO 10 6.797 -1.255 -3.305
99 H SER 11 H SER 11 6.957 2.140 0.783
100 HA SER 11 HA SER 11 4.531 1.621 2.082
101 1HB SER 11 2HB SER 11 6.656 3.666 2.773
102 2HB SER 11 1HB SER 11 5.382 3.114 3.860
103 HG SER 11 HG SER 11 7.143 1.883 4.321
104 H ILE 12 H ILE 12 2.858 2.394 0.743
105 HA ILE 12 HA ILE 12 2.499 5.317 0.849
106 HB ILE 12 HB ILE 12 1.615 3.458 -1.364
107 1HG1 ILE 12 2HG1 ILE 12 4.008 3.960 -1.437
108 2HG1 ILE 12 1HG1 ILE 12 3.168 4.766 -2.758
109 1HG2 ILE 12 1HG2 ILE 12 0.006 4.963 -1.721
110 2HG2 ILE 12 2HG2 ILE 12 1.289 6.059 -2.234
111 3HG2 ILE 12 3HG2 ILE 12 0.708 6.101 -0.570
112 1HD1 ILE 12 1HD1 ILE 12 4.047 6.687 -2.120
113 2HD1 ILE 12 2HD1 ILE 12 4.840 5.887 -0.763
114 3HD1 ILE 12 3HD1 ILE 12 3.218 6.550 -0.569
Start of MODEL 9
1 1H HIS 1 1HT HIS 1 -1.704 4.584 6.065
2 2H HIS 1 2HT HIS 1 -0.830 4.447 4.595
3 3H HIS 1 3HT HIS 1 0.005 4.463 6.094
4 HA HIS 1 HA HIS 1 -0.009 2.277 5.440
5 1HB HIS 1 2HB HIS 1 -2.314 2.761 7.343
6 2HB HIS 1 1HB HIS 1 -1.449 1.238 7.163
7 HD1 HIS 1 1HD HIS 1 1.361 1.745 7.485
8 HD2 HIS 1 2HD HIS 1 -1.416 4.084 9.507
9 HE1 HIS 1 1HE HIS 1 2.614 2.759 9.415
10 HE2 HIS 1 2HE HIS 1 0.892 4.101 10.674
11 HA PRO 2 HA PRO 2 -2.718 0.932 2.218
12 1HB PRO 2 2HB PRO 2 -2.589 -1.742 3.509
13 2HB PRO 2 1HB PRO 2 -2.211 -1.272 1.848
14 1HG PRO 2 2HG PRO 2 -0.274 -1.834 3.600
15 2HG PRO 2 1HG PRO 2 -0.085 -0.548 2.395
16 1HD PRO 2 2HD PRO 2 -0.646 -0.344 5.318
17 2HD PRO 2 1HD PRO 2 0.324 0.716 4.274
18 H LEU 3 H LEU 3 -4.881 0.636 1.899
19 HA LEU 3 HA LEU 3 -6.510 -0.151 4.205
20 1HB LEU 3 2HB LEU 3 -8.125 1.618 3.699
21 2HB LEU 3 1HB LEU 3 -6.559 2.253 4.156
22 HG LEU 3 HG LEU 3 -6.057 2.698 1.789
23 1HD1 LEU 3 1HD1 LEU 3 -8.186 2.698 0.291
24 2HD1 LEU 3 2HD1 LEU 3 -8.729 1.437 1.398
25 3HD1 LEU 3 3HD1 LEU 3 -7.237 1.223 0.482
26 1HD2 LEU 3 1HD2 LEU 3 -7.351 4.653 1.614
27 2HD2 LEU 3 2HD2 LEU 3 -7.205 4.340 3.344
28 3HD2 LEU 3 3HD2 LEU 3 -8.699 3.937 2.497
29 H LYS 4 H LYS 4 -5.664 -1.030 1.242
30 HA LYS 4 HA LYS 4 -7.762 -2.792 0.829
31 1HB LYS 4 2HB LYS 4 -9.121 -0.827 0.318
32 2HB LYS 4 1HB LYS 4 -7.957 -0.326 -0.899
33 1HG LYS 4 2HG LYS 4 -8.460 -2.328 -2.206
34 2HG LYS 4 1HG LYS 4 -9.627 -2.831 -0.981
35 1HD LYS 4 2HD LYS 4 -10.932 -0.801 -1.393
36 2HD LYS 4 1HD LYS 4 -9.763 -0.297 -2.615
37 1HE LYS 4 2HE LYS 4 -10.282 -2.296 -3.931
38 2HE LYS 4 1HE LYS 4 -11.448 -2.798 -2.708
39 1HZ LYS 4 1HZ LYS 4 -12.346 -1.605 -4.734
40 2HZ LYS 4 2HZ LYS 4 -11.666 -0.196 -4.095
41 3HZ LYS 4 3HZ LYS 4 -12.858 -1.026 -3.230
42 H GLN 5 H GLN 5 -5.214 -0.898 -0.553
43 HA GLN 5 HA GLN 5 -4.768 -2.726 -2.739
44 1HB GLN 5 2HB GLN 5 -4.362 -0.341 -3.070
45 2HB GLN 5 1HB GLN 5 -3.155 -0.355 -1.793
46 1HG GLN 5 2HG GLN 5 -1.768 -1.865 -3.117
47 2HG GLN 5 1HG GLN 5 -2.979 -1.854 -4.398
48 1HE2 GLN 5 1HE2 GLN 5 -0.108 -0.613 -3.518
49 2HE2 GLN 5 2HE2 GLN 5 -0.134 0.876 -4.396
50 H TYR 6 H TYR 6 -3.468 -2.118 0.421
51 HA TYR 6 HA TYR 6 -1.909 -3.189 1.697
52 1HB TYR 6 2HB TYR 6 -2.578 -5.490 -0.151
53 2HB TYR 6 1HB TYR 6 -1.715 -5.632 1.374
54 HD1 TYR 6 1HD TYR 6 -3.799 -7.370 1.356
55 HD2 TYR 6 2HD TYR 6 -4.085 -3.164 1.949
56 HE1 TYR 6 1HE TYR 6 -5.933 -7.684 2.536
57 HE2 TYR 6 2HE TYR 6 -6.218 -3.469 3.125
58 HH TYR 6 HH TYR 6 -7.373 -5.301 4.399
59 H TRP 7 H TRP 7 -0.333 -1.700 0.678
60 HA TRP 7 HA TRP 7 1.364 -2.787 -1.395
61 1HB TRP 7 2HB TRP 7 2.628 -0.687 -1.157
62 2HB TRP 7 1HB TRP 7 0.905 -0.388 -1.362
63 HD1 TRP 7 HD TRP 7 3.224 -0.874 1.729
64 HE1 TRP 7 1HE TRP 7 2.612 0.932 3.457
65 HE3 TRP 7 3HE TRP 7 -0.527 1.467 -0.836
66 HZ2 TRP 7 2HZ TRP 7 0.781 3.066 3.701
67 HZ3 TRP 7 3HZ TRP 7 -1.658 3.383 0.214
68 HH2 TRP 7 HH TRP 7 -1.017 4.164 2.437
69 H TRP 8 H TRP 8 3.650 -3.107 -1.154
70 HA TRP 8 HA TRP 8 4.386 -3.994 1.556
71 1HB TRP 8 2HB TRP 8 4.246 -5.806 -0.099
72 2HB TRP 8 1HB TRP 8 5.391 -4.966 -1.128
73 HD1 TRP 8 HD TRP 8 6.503 -7.574 -0.735
74 HE1 TRP 8 1HE TRP 8 8.351 -8.227 0.925
75 HE3 TRP 8 3HE TRP 8 6.031 -3.714 2.620
76 HZ2 TRP 8 2HZ TRP 8 9.449 -7.268 3.328
77 HZ3 TRP 8 3HZ TRP 8 7.516 -3.678 4.572
78 HH2 TRP 8 HH TRP 8 9.187 -5.421 4.923
79 H ARG 9 H ARG 9 6.730 -3.753 -0.999
80 HA ARG 9 HA ARG 9 8.502 -2.195 0.488
81 1HB ARG 9 2HB ARG 9 8.390 -2.566 -2.510
82 2HB ARG 9 1HB ARG 9 9.761 -1.927 -1.617
83 1HG ARG 9 2HG ARG 9 8.615 -4.698 -1.345
84 2HG ARG 9 1HG ARG 9 10.094 -4.261 -2.203
85 1HD ARG 9 2HD ARG 9 11.064 -3.447 -0.108
86 2HD ARG 9 1HD ARG 9 9.584 -3.882 0.747
87 HE ARG 9 HE ARG 9 10.545 -6.156 -0.568
88 1HH1 ARG 9 1HH1 ARG 9 11.445 -4.039 2.055
89 2HH1 ARG 9 2HH1 ARG 9 12.305 -5.269 2.919
90 1HH2 ARG 9 1HH2 ARG 9 11.674 -7.776 0.567
91 2HH2 ARG 9 2HH2 ARG 9 12.436 -7.391 2.074
92 HA PRO 10 HA PRO 10 6.908 1.516 -2.352
93 1HB PRO 10 2HB PRO 10 4.049 0.714 -2.418
94 2HB PRO 10 1HB PRO 10 5.035 1.471 -3.673
95 1HG PRO 10 2HG PRO 10 4.353 -1.100 -3.838
96 2HG PRO 10 1HG PRO 10 5.959 -0.544 -4.348
97 1HD PRO 10 2HD PRO 10 5.150 -1.964 -1.844
98 2HD PRO 10 1HD PRO 10 6.607 -2.166 -2.835
99 H SER 11 H SER 11 4.698 3.002 -1.810
100 HA SER 11 HA SER 11 3.848 2.784 0.911
101 1HB SER 11 2HB SER 11 5.831 4.965 0.217
102 2HB SER 11 1HB SER 11 4.929 4.850 1.728
103 HG SER 11 HG SER 11 5.959 2.742 1.972
104 H ILE 12 H ILE 12 2.717 3.129 -1.751
105 HA ILE 12 HA ILE 12 1.092 5.500 -1.183
106 HB ILE 12 HB ILE 12 2.293 4.894 -3.891
107 1HG1 ILE 12 2HG1 ILE 12 3.880 5.951 -2.357
108 2HG1 ILE 12 1HG1 ILE 12 3.401 7.077 -3.624
109 1HG2 ILE 12 1HG2 ILE 12 0.248 6.918 -3.015
110 2HG2 ILE 12 2HG2 ILE 12 0.110 5.705 -4.287
111 3HG2 ILE 12 3HG2 ILE 12 1.183 7.088 -4.501
112 1HD1 ILE 12 1HD1 ILE 12 1.630 7.397 -1.428
113 2HD1 ILE 12 2HD1 ILE 12 2.791 8.546 -2.095
114 3HD1 ILE 12 3HD1 ILE 12 3.289 7.424 -0.828
Start of MODEL 10
1 1H HIS 1 1HT HIS 1 -3.106 5.351 3.104
2 2H HIS 1 2HT HIS 1 -3.465 6.822 3.908
3 3H HIS 1 3HT HIS 1 -2.754 6.848 2.347
4 HA HIS 1 HA HIS 1 -5.481 6.451 3.168
5 1HB HIS 1 2HB HIS 1 -4.126 7.477 0.664
6 2HB HIS 1 1HB HIS 1 -5.854 7.557 0.987
7 HD1 HIS 1 1HD HIS 1 -6.244 8.811 3.541
8 HD2 HIS 1 2HD HIS 1 -2.971 9.847 1.199
9 HE1 HIS 1 1HE HIS 1 -5.515 11.072 4.366
10 HE2 HIS 1 2HE HIS 1 -3.579 11.711 2.885
11 HA PRO 2 HA PRO 2 -5.290 3.306 -0.435
12 1HB PRO 2 2HB PRO 2 -2.933 2.518 -1.439
13 2HB PRO 2 1HB PRO 2 -3.711 4.014 -1.971
14 1HG PRO 2 2HG PRO 2 -1.465 3.631 -0.036
15 2HG PRO 2 1HG PRO 2 -1.661 4.862 -1.296
16 1HD PRO 2 2HD PRO 2 -2.197 5.270 1.369
17 2HD PRO 2 1HD PRO 2 -2.928 6.201 0.050
18 H LEU 3 H LEU 3 -5.858 2.203 1.612
19 HA LEU 3 HA LEU 3 -3.868 0.177 2.366
20 1HB LEU 3 2HB LEU 3 -5.058 -0.020 4.498
21 2HB LEU 3 1HB LEU 3 -4.433 1.593 4.222
22 HG LEU 3 HG LEU 3 -6.687 2.350 3.590
23 1HD1 LEU 3 1HD1 LEU 3 -8.572 0.752 4.340
24 2HD1 LEU 3 2HD1 LEU 3 -7.373 -0.515 4.087
25 3HD1 LEU 3 3HD1 LEU 3 -7.843 0.534 2.749
26 1HD2 LEU 3 1HD2 LEU 3 -5.733 2.267 5.990
27 2HD2 LEU 3 2HD2 LEU 3 -6.928 0.994 6.243
28 3HD2 LEU 3 3HD2 LEU 3 -7.448 2.609 5.761
29 H LYS 4 H LYS 4 -6.087 0.288 0.207
30 HA LYS 4 HA LYS 4 -7.644 -2.049 1.008
31 1HB LYS 4 2HB LYS 4 -8.866 -0.187 0.006
32 2HB LYS 4 1HB LYS 4 -7.856 -0.278 -1.430
33 1HG LYS 4 2HG LYS 4 -8.732 -2.506 -1.911
34 2HG LYS 4 1HG LYS 4 -9.745 -2.416 -0.469
35 1HD LYS 4 2HD LYS 4 -10.904 -0.473 -1.406
36 2HD LYS 4 1HD LYS 4 -9.888 -0.562 -2.847
37 1HE LYS 4 2HE LYS 4 -10.779 -2.789 -3.332
38 2HE LYS 4 1HE LYS 4 -11.791 -2.700 -1.892
39 1HZ LYS 4 1HZ LYS 4 -13.097 -2.134 -3.793
40 2HZ LYS 4 2HZ LYS 4 -11.973 -0.977 -4.302
41 3HZ LYS 4 3HZ LYS 4 -12.863 -0.723 -2.887
42 H GLN 5 H GLN 5 -4.887 -1.233 -0.828
43 HA GLN 5 HA GLN 5 -5.013 -3.752 -2.329
44 1HB GLN 5 2HB GLN 5 -4.608 -1.752 -3.672
45 2HB GLN 5 1HB GLN 5 -3.209 -1.353 -2.685
46 1HG GLN 5 2HG GLN 5 -2.092 -3.388 -3.438
47 2HG GLN 5 1HG GLN 5 -3.496 -3.791 -4.427
48 1HE2 GLN 5 1HE2 GLN 5 -0.490 -2.560 -4.550
49 2HE2 GLN 5 2HE2 GLN 5 -0.624 -1.562 -5.954
50 H TYR 6 H TYR 6 -3.547 -2.320 0.388
51 HA TYR 6 HA TYR 6 -1.973 -3.038 1.862
52 1HB TYR 6 2HB TYR 6 -2.239 -5.648 0.353
53 2HB TYR 6 1HB TYR 6 -1.426 -5.449 1.899
54 HD1 TYR 6 1HD TYR 6 -3.240 -7.454 2.097
55 HD2 TYR 6 2HD TYR 6 -4.141 -3.294 2.058
56 HE1 TYR 6 1HE TYR 6 -5.354 -7.905 3.266
57 HE2 TYR 6 2HE TYR 6 -6.257 -3.738 3.226
58 HH TYR 6 HH TYR 6 -6.944 -6.608 4.765
59 H TRP 7 H TRP 7 -0.489 -1.550 0.875
60 HA TRP 7 HA TRP 7 1.213 -2.160 -1.257
61 1HB TRP 7 2HB TRP 7 2.646 -0.348 -0.398
62 2HB TRP 7 1HB TRP 7 0.947 0.115 -0.411
63 HD1 TRP 7 HD TRP 7 3.290 -1.530 2.230
64 HE1 TRP 7 1HE TRP 7 2.854 -0.375 4.488
65 HE3 TRP 7 3HE TRP 7 -0.321 1.779 0.766
66 HZ2 TRP 7 2HZ TRP 7 1.198 1.669 5.513
67 HZ3 TRP 7 3HZ TRP 7 -1.280 3.299 2.446
68 HH2 TRP 7 HH TRP 7 -0.535 3.244 4.771
69 H TRP 8 H TRP 8 3.581 -2.487 -1.132
70 HA TRP 8 HA TRP 8 4.332 -4.255 1.100
71 1HB TRP 8 2HB TRP 8 3.856 -5.564 -0.926
72 2HB TRP 8 1HB TRP 8 5.007 -4.598 -1.830
73 HD1 TRP 8 HD TRP 8 5.841 -7.308 -2.210
74 HE1 TRP 8 1HE TRP 8 7.724 -8.532 -0.964
75 HE3 TRP 8 3HE TRP 8 6.074 -4.413 2.024
76 HZ2 TRP 8 2HZ TRP 8 9.106 -8.327 1.474
77 HZ3 TRP 8 3HZ TRP 8 7.699 -5.016 3.760
78 HH2 TRP 8 HH TRP 8 9.180 -6.934 3.495
79 H ARG 9 H ARG 9 6.452 -3.544 -1.568
80 HA ARG 9 HA ARG 9 8.496 -2.565 0.088
81 1HB ARG 9 2HB ARG 9 8.158 -2.254 -2.900
82 2HB ARG 9 1HB ARG 9 9.642 -1.952 -2.010
83 1HG ARG 9 2HG ARG 9 8.228 -4.600 -2.239
84 2HG ARG 9 1HG ARG 9 9.689 -4.122 -3.103
85 1HD ARG 9 2HD ARG 9 10.867 -3.877 -0.972
86 2HD ARG 9 1HD ARG 9 9.407 -4.355 -0.109
87 HE ARG 9 HE ARG 9 10.039 -6.362 -1.952
88 1HH1 ARG 9 1HH1 ARG 9 11.313 -4.962 0.979
89 2HH1 ARG 9 2HH1 ARG 9 12.091 -6.424 1.487
90 1HH2 ARG 9 1HH2 ARG 9 11.062 -8.285 -1.286
91 2HH2 ARG 9 2HH2 ARG 9 11.949 -8.310 0.201
92 HA PRO 10 HA PRO 10 7.284 1.833 -1.409
93 1HB PRO 10 2HB PRO 10 4.946 2.221 -2.671
94 2HB PRO 10 1HB PRO 10 6.396 1.704 -3.541
95 1HG PRO 10 2HG PRO 10 4.071 0.073 -2.594
96 2HG PRO 10 1HG PRO 10 4.933 0.000 -4.142
97 1HD PRO 10 2HD PRO 10 5.381 -1.730 -2.074
98 2HD PRO 10 1HD PRO 10 6.604 -1.312 -3.288
99 H SER 11 H SER 11 7.059 1.884 0.902
100 HA SER 11 HA SER 11 4.488 1.560 2.127
101 1HB SER 11 2HB SER 11 7.040 2.769 3.215
102 2HB SER 11 1HB SER 11 5.611 2.379 4.171
103 HG SER 11 HG SER 11 6.618 0.533 4.381
104 H ILE 12 H ILE 12 6.093 4.119 0.523
105 HA ILE 12 HA ILE 12 5.512 6.273 0.077
106 HB ILE 12 HB ILE 12 2.847 5.456 1.251
107 1HG1 ILE 12 2HG1 ILE 12 3.483 4.122 -0.702
108 2HG1 ILE 12 1HG1 ILE 12 2.158 5.211 -1.101
109 1HG2 ILE 12 1HG2 ILE 12 2.227 7.432 -0.441
110 2HG2 ILE 12 2HG2 ILE 12 3.827 7.979 0.057
111 3HG2 ILE 12 3HG2 ILE 12 2.574 7.706 1.266
112 1HD1 ILE 12 1HD1 ILE 12 3.838 6.763 -2.088
113 2HD1 ILE 12 2HD1 ILE 12 3.694 5.212 -2.913
114 3HD1 ILE 12 3HD1 ILE 12 5.055 5.514 -1.834
Start of MODEL 11
1 1H HIS 1 1HT HIS 1 -3.206 6.078 3.084
2 2H HIS 1 2HT HIS 1 -3.200 4.468 3.678
3 3H HIS 1 3HT HIS 1 -3.164 5.788 4.772
4 HA HIS 1 HA HIS 1 -5.304 5.400 4.929
5 1HB HIS 1 2HB HIS 1 -5.173 6.845 2.273
6 2HB HIS 1 1HB HIS 1 -6.585 6.774 3.319
7 HD1 HIS 1 1HD HIS 1 -5.814 7.636 5.947
8 HD2 HIS 1 2HD HIS 1 -3.890 9.186 2.606
9 HE1 HIS 1 1HE HIS 1 -4.788 9.803 6.707
10 HE2 HIS 1 2HE HIS 1 -3.560 10.682 4.689
11 HA PRO 2 HA PRO 2 -6.718 2.805 1.165
12 1HB PRO 2 2HB PRO 2 -5.046 2.324 -0.872
13 2HB PRO 2 1HB PRO 2 -5.972 3.826 -0.773
14 1HG PRO 2 2HG PRO 2 -3.106 3.317 -0.088
15 2HG PRO 2 1HG PRO 2 -3.827 4.699 -0.933
16 1HD PRO 2 2HD PRO 2 -3.141 4.695 1.728
17 2HD PRO 2 1HD PRO 2 -4.374 5.751 1.017
18 H LEU 3 H LEU 3 -6.368 1.360 3.019
19 HA LEU 3 HA LEU 3 -4.047 -0.332 3.021
20 1HB LEU 3 2HB LEU 3 -5.139 -1.479 4.889
21 2HB LEU 3 1HB LEU 3 -5.054 0.255 5.124
22 HG LEU 3 HG LEU 3 -7.423 0.449 4.489
23 1HD1 LEU 3 1HD1 LEU 3 -7.108 -2.459 3.997
24 2HD1 LEU 3 2HD1 LEU 3 -8.054 -1.255 3.121
25 3HD1 LEU 3 3HD1 LEU 3 -8.640 -1.888 4.658
26 1HD2 LEU 3 1HD2 LEU 3 -6.685 -1.381 6.752
27 2HD2 LEU 3 2HD2 LEU 3 -8.330 -0.793 6.507
28 3HD2 LEU 3 3HD2 LEU 3 -7.020 0.350 6.802
29 H LYS 4 H LYS 4 -6.882 -0.311 1.237
30 HA LYS 4 HA LYS 4 -7.265 -3.151 1.055
31 1HB LYS 4 2HB LYS 4 -9.146 -1.625 0.735
32 2HB LYS 4 1HB LYS 4 -8.341 -0.900 -0.650
33 1HG LYS 4 2HG LYS 4 -8.478 -3.026 -1.846
34 2HG LYS 4 1HG LYS 4 -9.285 -3.755 -0.456
35 1HD LYS 4 2HD LYS 4 -11.126 -2.158 -0.690
36 2HD LYS 4 1HD LYS 4 -10.318 -1.429 -2.079
37 1HE LYS 4 2HE LYS 4 -10.468 -3.557 -3.278
38 2HE LYS 4 1HE LYS 4 -11.274 -4.284 -1.889
39 1HZ LYS 4 1HZ LYS 4 -12.463 -1.855 -2.973
40 2HZ LYS 4 2HZ LYS 4 -13.208 -3.241 -2.350
41 3HZ LYS 4 3HZ LYS 4 -12.592 -3.248 -3.925
42 H GLN 5 H GLN 5 -5.195 -0.873 -0.424
43 HA GLN 5 HA GLN 5 -4.803 -2.290 -2.884
44 1HB GLN 5 2HB GLN 5 -4.415 0.119 -2.754
45 2HB GLN 5 1HB GLN 5 -3.143 -0.136 -1.567
46 1HG GLN 5 2HG GLN 5 -1.827 -1.342 -3.232
47 2HG GLN 5 1HG GLN 5 -3.102 -1.088 -4.422
48 1HE2 GLN 5 1HE2 GLN 5 -0.188 -0.020 -3.461
49 2HE2 GLN 5 2HE2 GLN 5 -0.257 1.611 -4.024
50 H TYR 6 H TYR 6 -3.608 -2.597 0.309
51 HA TYR 6 HA TYR 6 -2.116 -4.013 1.277
52 1HB TYR 6 2HB TYR 6 -2.232 -5.411 -1.404
53 2HB TYR 6 1HB TYR 6 -1.527 -6.084 0.059
54 HD1 TYR 6 1HD TYR 6 -3.315 -7.850 -0.961
55 HD2 TYR 6 2HD TYR 6 -4.283 -4.291 1.164
56 HE1 TYR 6 1HE TYR 6 -5.494 -8.810 -0.351
57 HE2 TYR 6 2HE TYR 6 -6.463 -5.244 1.777
58 HH TYR 6 HH TYR 6 -7.443 -7.580 2.043
59 H TRP 7 H TRP 7 -0.705 -2.073 1.156
60 HA TRP 7 HA TRP 7 1.311 -1.934 -0.867
61 1HB TRP 7 2HB TRP 7 2.311 -0.190 0.559
62 2HB TRP 7 1HB TRP 7 0.589 0.080 0.308
63 HD1 TRP 7 HD TRP 7 2.674 -1.803 3.006
64 HE1 TRP 7 1HE TRP 7 1.710 -1.183 5.311
65 HE3 TRP 7 3HE TRP 7 -1.081 1.322 1.501
66 HZ2 TRP 7 2HZ TRP 7 -0.368 0.419 6.352
67 HZ3 TRP 7 3HZ TRP 7 -2.512 2.358 3.214
68 HH2 TRP 7 HH TRP 7 -2.161 1.915 5.589
69 H TRP 8 H TRP 8 3.665 -1.974 -0.300
70 HA TRP 8 HA TRP 8 4.492 -3.623 1.903
71 1HB TRP 8 2HB TRP 8 3.674 -5.330 0.337
72 2HB TRP 8 1HB TRP 8 4.719 -4.690 -0.920
73 HD1 TRP 8 HD TRP 8 5.378 -7.470 -0.735
74 HE1 TRP 8 1HE TRP 8 7.374 -8.501 0.508
75 HE3 TRP 8 3HE TRP 8 6.350 -3.684 2.595
76 HZ2 TRP 8 2HZ TRP 8 9.109 -7.831 2.615
77 HZ3 TRP 8 3HZ TRP 8 8.188 -3.978 4.190
78 HH2 TRP 8 HH TRP 8 9.537 -6.011 4.205
79 H ARG 9 H ARG 9 6.283 -3.774 -1.067
80 HA ARG 9 HA ARG 9 8.572 -2.606 0.005
81 1HB ARG 9 2HB ARG 9 7.796 -2.879 -2.903
82 2HB ARG 9 1HB ARG 9 9.414 -2.529 -2.312
83 1HG ARG 9 2HG ARG 9 7.844 -5.040 -1.773
84 2HG ARG 9 1HG ARG 9 9.178 -4.871 -2.916
85 1HD ARG 9 2HD ARG 9 10.681 -4.300 -1.071
86 2HD ARG 9 1HD ARG 9 9.346 -4.469 0.070
87 HE ARG 9 HE ARG 9 9.580 -6.853 -1.375
88 1HH1 ARG 9 1HH1 ARG 9 11.364 -5.001 0.985
89 2HH1 ARG 9 2HH1 ARG 9 12.131 -6.390 1.679
90 1HH2 ARG 9 1HH2 ARG 9 10.589 -8.680 -0.463
91 2HH2 ARG 9 2HH2 ARG 9 11.692 -8.478 0.856
92 HA PRO 10 HA PRO 10 7.341 1.499 -2.077
93 1HB PRO 10 2HB PRO 10 4.980 1.793 -3.285
94 2HB PRO 10 1HB PRO 10 6.314 0.958 -4.089
95 1HG PRO 10 2HG PRO 10 3.909 -0.175 -2.734
96 2HG PRO 10 1HG PRO 10 4.717 -0.710 -4.217
97 1HD PRO 10 2HD PRO 10 5.061 -1.832 -1.693
98 2HD PRO 10 1HD PRO 10 6.164 -2.032 -3.065
99 H SER 11 H SER 11 5.256 3.183 -1.934
100 HA SER 11 HA SER 11 3.561 2.767 0.322
101 1HB SER 11 2HB SER 11 5.904 4.655 0.666
102 2HB SER 11 1HB SER 11 4.550 4.498 1.784
103 HG SER 11 HG SER 11 5.209 2.189 1.861
104 H ILE 12 H ILE 12 3.386 3.633 -2.443
105 HA ILE 12 HA ILE 12 2.249 5.146 -3.707
106 HB ILE 12 HB ILE 12 1.292 6.162 -1.025
107 1HG1 ILE 12 2HG1 ILE 12 0.721 3.815 -1.417
108 2HG1 ILE 12 1HG1 ILE 12 -0.720 4.824 -1.504
109 1HG2 ILE 12 1HG2 ILE 12 0.672 7.906 -2.348
110 2HG2 ILE 12 2HG2 ILE 12 -0.688 6.830 -2.669
111 3HG2 ILE 12 3HG2 ILE 12 0.647 6.928 -3.816
112 1HD1 ILE 12 1HD1 ILE 12 -1.034 3.473 -3.312
113 2HD1 ILE 12 2HD1 ILE 12 0.692 3.339 -3.653
114 3HD1 ILE 12 3HD1 ILE 12 -0.177 4.816 -4.069
Start of MODEL 12
1 1H HIS 1 1HT HIS 1 -4.805 7.597 0.836
2 2H HIS 1 2HT HIS 1 -3.777 6.924 -0.362
3 3H HIS 1 3HT HIS 1 -3.166 8.091 0.738
4 HA HIS 1 HA HIS 1 -2.380 6.090 1.500
5 1HB HIS 1 2HB HIS 1 -4.922 6.787 2.992
6 2HB HIS 1 1HB HIS 1 -3.586 5.846 3.647
7 HD1 HIS 1 1HD HIS 1 -1.162 7.349 3.308
8 HD2 HIS 1 2HD HIS 1 -4.773 9.329 3.861
9 HE1 HIS 1 1HE HIS 1 -0.551 9.647 4.130
10 HE2 HIS 1 2HE HIS 1 -2.754 10.796 4.541
11 HA PRO 2 HA PRO 2 -4.877 2.942 -0.791
12 1HB PRO 2 2HB PRO 2 -2.303 1.536 -0.257
13 2HB PRO 2 1HB PRO 2 -3.259 1.607 -1.741
14 1HG PRO 2 2HG PRO 2 -1.026 3.034 -1.501
15 2HG PRO 2 1HG PRO 2 -2.451 3.702 -2.320
16 1HD PRO 2 2HD PRO 2 -1.378 4.288 0.402
17 2HD PRO 2 1HD PRO 2 -2.168 5.374 -0.759
18 H LEU 3 H LEU 3 -6.272 1.716 0.295
19 HA LEU 3 HA LEU 3 -5.354 0.374 2.744
20 1HB LEU 3 2HB LEU 3 -7.579 0.708 3.711
21 2HB LEU 3 1HB LEU 3 -6.760 2.220 3.378
22 HG LEU 3 HG LEU 3 -8.124 2.505 1.351
23 1HD1 LEU 3 1HD1 LEU 3 -8.765 0.449 0.566
24 2HD1 LEU 3 2HD1 LEU 3 -10.246 0.983 1.359
25 3HD1 LEU 3 3HD1 LEU 3 -9.174 -0.159 2.170
26 1HD2 LEU 3 1HD2 LEU 3 -9.117 3.709 2.990
27 2HD2 LEU 3 2HD2 LEU 3 -9.262 2.325 4.073
28 3HD2 LEU 3 3HD2 LEU 3 -10.402 2.526 2.743
29 H LYS 4 H LYS 4 -6.280 -0.180 -0.323
30 HA LYS 4 HA LYS 4 -7.711 -2.659 0.359
31 1HB LYS 4 2HB LYS 4 -9.019 -1.153 -1.052
32 2HB LYS 4 1HB LYS 4 -7.714 -1.097 -2.228
33 1HG LYS 4 2HG LYS 4 -8.001 -3.483 -2.667
34 2HG LYS 4 1HG LYS 4 -9.311 -3.540 -1.484
35 1HD LYS 4 2HD LYS 4 -10.588 -1.938 -2.825
36 2HD LYS 4 1HD LYS 4 -9.277 -1.879 -4.005
37 1HE LYS 4 2HE LYS 4 -9.579 -4.266 -4.454
38 2HE LYS 4 1HE LYS 4 -10.887 -4.323 -3.273
39 1HZ LYS 4 1HZ LYS 4 -11.096 -2.367 -5.436
40 2HZ LYS 4 2HZ LYS 4 -12.310 -3.252 -4.659
41 3HZ LYS 4 3HZ LYS 4 -11.342 -3.993 -5.830
42 H GLN 5 H GLN 5 -4.835 -1.362 -0.947
43 HA GLN 5 HA GLN 5 -4.124 -3.883 -2.249
44 1HB GLN 5 2HB GLN 5 -3.719 -1.840 -3.528
45 2HB GLN 5 1HB GLN 5 -2.713 -1.210 -2.231
46 1HG GLN 5 2HG GLN 5 -1.117 -3.024 -2.583
47 2HG GLN 5 1HG GLN 5 -2.126 -3.657 -3.884
48 1HE2 GLN 5 1HE2 GLN 5 0.559 -1.930 -3.275
49 2HE2 GLN 5 2HE2 GLN 5 0.635 -0.965 -4.706
50 H TYR 6 H TYR 6 -3.577 -2.101 0.625
51 HA TYR 6 HA TYR 6 -2.342 -2.504 2.488
52 1HB TYR 6 2HB TYR 6 -1.963 -5.228 1.230
53 2HB TYR 6 1HB TYR 6 -1.573 -4.818 2.895
54 HD1 TYR 6 1HD TYR 6 -3.167 -7.011 2.867
55 HD2 TYR 6 2HD TYR 6 -4.451 -3.008 2.201
56 HE1 TYR 6 1HE TYR 6 -5.444 -7.632 3.551
57 HE2 TYR 6 2HE TYR 6 -6.730 -3.621 2.882
58 HH TYR 6 HH TYR 6 -8.107 -5.853 2.911
59 H TRP 7 H TRP 7 -1.097 -1.689 -0.197
60 HA TRP 7 HA TRP 7 0.956 -1.356 -1.146
61 1HB TRP 7 2HB TRP 7 2.571 -0.330 0.404
62 2HB TRP 7 1HB TRP 7 0.942 0.279 0.661
63 HD1 TRP 7 HD TRP 7 3.024 -2.640 2.187
64 HE1 TRP 7 1HE TRP 7 2.672 -2.598 4.736
65 HE3 TRP 7 3HE TRP 7 -0.165 1.345 2.501
66 HZ2 TRP 7 2HZ TRP 7 1.232 -1.076 6.629
67 HZ3 TRP 7 3HZ TRP 7 -0.984 2.028 4.718
68 HH2 TRP 7 HH TRP 7 -0.299 0.841 6.738
69 H TRP 8 H TRP 8 3.554 -1.753 -0.303
70 HA TRP 8 HA TRP 8 4.056 -4.363 0.675
71 1HB TRP 8 2HB TRP 8 3.082 -5.003 -1.489
72 2HB TRP 8 1HB TRP 8 4.246 -3.990 -2.324
73 HD1 TRP 8 HD TRP 8 4.530 -6.590 -3.490
74 HE1 TRP 8 1HE TRP 8 6.329 -8.337 -2.938
75 HE3 TRP 8 3HE TRP 8 5.867 -4.978 1.199
76 HZ2 TRP 8 2HZ TRP 8 8.060 -8.970 -0.818
77 HZ3 TRP 8 3HZ TRP 8 7.594 -6.228 2.411
78 HH2 TRP 8 HH TRP 8 8.665 -8.185 1.428
79 H ARG 9 H ARG 9 5.940 -3.363 -2.060
80 HA ARG 9 HA ARG 9 8.270 -3.033 -0.503
81 1HB ARG 9 2HB ARG 9 7.745 -2.192 -3.361
82 2HB ARG 9 1HB ARG 9 9.326 -2.274 -2.599
83 1HG ARG 9 2HG ARG 9 7.471 -4.599 -3.063
84 2HG ARG 9 1HG ARG 9 8.916 -4.215 -4.002
85 1HD ARG 9 2HD ARG 9 10.290 -4.507 -1.997
86 2HD ARG 9 1HD ARG 9 8.846 -4.891 -1.062
87 HE ARG 9 HE ARG 9 8.979 -6.639 -3.243
88 1HH1 ARG 9 1HH1 ARG 9 10.698 -5.958 -0.283
89 2HH1 ARG 9 2HH1 ARG 9 11.262 -7.583 -0.089
90 1HH2 ARG 9 1HH2 ARG 9 9.718 -8.778 -2.989
91 2HH2 ARG 9 2HH2 ARG 9 10.706 -9.185 -1.626
92 HA PRO 10 HA PRO 10 7.592 1.702 -1.333
93 1HB PRO 10 2HB PRO 10 4.697 1.961 -1.701
94 2HB PRO 10 1HB PRO 10 6.011 2.591 -2.698
95 1HG PRO 10 2HG PRO 10 4.409 0.586 -3.530
96 2HG PRO 10 1HG PRO 10 6.117 0.692 -3.994
97 1HD PRO 10 2HD PRO 10 4.827 -1.007 -1.888
98 2HD PRO 10 1HD PRO 10 6.091 -1.434 -3.060
99 H SER 11 H SER 11 5.685 3.364 -0.268
100 HA SER 11 HA SER 11 4.546 2.331 2.138
101 1HB SER 11 2HB SER 11 7.022 4.057 2.385
102 2HB SER 11 1HB SER 11 5.967 3.593 3.719
103 HG SER 11 HG SER 11 6.475 1.370 3.101
104 H ILE 12 H ILE 12 3.776 3.924 -0.161
105 HA ILE 12 HA ILE 12 3.521 6.657 0.587
106 HB ILE 12 HB ILE 12 1.935 5.054 -1.426
107 1HG1 ILE 12 2HG1 ILE 12 4.330 5.111 -1.926
108 2HG1 ILE 12 1HG1 ILE 12 3.434 6.095 -3.080
109 1HG2 ILE 12 1HG2 ILE 12 1.428 7.284 -2.415
110 2HG2 ILE 12 2HG2 ILE 12 2.127 8.029 -0.977
111 3HG2 ILE 12 3HG2 ILE 12 0.689 7.016 -0.835
112 1HD1 ILE 12 1HD1 ILE 12 5.541 6.841 -1.251
113 2HD1 ILE 12 2HD1 ILE 12 4.120 7.871 -1.076
114 3HD1 ILE 12 3HD1 ILE 12 4.897 7.702 -2.650
Start of MODEL 13
1 1H HIS 1 1HT HIS 1 -5.448 6.255 1.601
2 2H HIS 1 2HT HIS 1 -4.342 6.986 2.690
3 3H HIS 1 3HT HIS 1 -6.002 6.859 3.106
4 HA HIS 1 HA HIS 1 -3.970 4.758 2.927
5 1HB HIS 1 2HB HIS 1 -5.957 5.624 5.041
6 2HB HIS 1 1HB HIS 1 -4.805 4.304 5.211
7 HD1 HIS 1 1HD HIS 1 -2.180 5.307 4.610
8 HD2 HIS 1 2HD HIS 1 -5.033 7.822 6.284
9 HE1 HIS 1 1HE HIS 1 -0.883 7.186 5.665
10 HE2 HIS 1 2HE HIS 1 -2.626 8.645 6.753
11 HA PRO 2 HA PRO 2 -7.827 2.877 1.121
12 1HB PRO 2 2HB PRO 2 -6.581 1.499 -0.846
13 2HB PRO 2 1HB PRO 2 -7.063 3.190 -1.029
14 1HG PRO 2 2HG PRO 2 -4.375 2.049 -0.367
15 2HG PRO 2 1HG PRO 2 -4.787 3.361 -1.485
16 1HD PRO 2 2HD PRO 2 -3.836 3.809 1.015
17 2HD PRO 2 1HD PRO 2 -4.961 4.915 0.204
18 H LEU 3 H LEU 3 -8.598 0.990 1.869
19 HA LEU 3 HA LEU 3 -6.750 -0.832 3.173
20 1HB LEU 3 2HB LEU 3 -8.753 -1.873 4.121
21 2HB LEU 3 1HB LEU 3 -8.686 -0.150 4.434
22 HG LEU 3 HG LEU 3 -10.318 0.232 2.633
23 1HD1 LEU 3 1HD1 LEU 3 -10.184 -1.435 1.079
24 2HD1 LEU 3 2HD1 LEU 3 -11.589 -1.978 1.997
25 3HD1 LEU 3 3HD1 LEU 3 -10.009 -2.704 2.291
26 1HD2 LEU 3 1HD2 LEU 3 -10.802 -0.547 5.155
27 2HD2 LEU 3 2HD2 LEU 3 -11.666 -1.811 4.279
28 3HD2 LEU 3 3HD2 LEU 3 -12.072 -0.115 4.011
29 H LYS 4 H LYS 4 -7.775 -0.553 0.109
30 HA LYS 4 HA LYS 4 -8.356 -3.365 -0.357
31 1HB LYS 4 2HB LYS 4 -9.659 -1.695 -1.577
32 2HB LYS 4 1HB LYS 4 -8.186 -1.033 -2.273
33 1HG LYS 4 2HG LYS 4 -7.790 -3.139 -3.445
34 2HG LYS 4 1HG LYS 4 -9.265 -3.806 -2.743
35 1HD LYS 4 2HD LYS 4 -10.580 -2.072 -3.866
36 2HD LYS 4 1HD LYS 4 -9.103 -1.405 -4.565
37 1HE LYS 4 2HE LYS 4 -8.715 -3.512 -5.747
38 2HE LYS 4 1HE LYS 4 -10.188 -4.178 -5.045
39 1HZ LYS 4 1HZ LYS 4 -10.461 -3.334 -7.338
40 2HZ LYS 4 2HZ LYS 4 -10.114 -1.774 -6.784
41 3HZ LYS 4 3HZ LYS 4 -11.490 -2.581 -6.226
42 H GLN 5 H GLN 5 -5.666 -1.280 -0.309
43 HA GLN 5 HA GLN 5 -3.991 -3.404 -1.404
44 1HB GLN 5 2HB GLN 5 -4.399 -1.903 -3.291
45 2HB GLN 5 1HB GLN 5 -3.869 -0.528 -2.332
46 1HG GLN 5 2HG GLN 5 -1.629 -1.484 -2.195
47 2HG GLN 5 1HG GLN 5 -2.159 -2.866 -3.154
48 1HE2 GLN 5 1HE2 GLN 5 -0.530 -0.060 -3.309
49 2HE2 GLN 5 2HE2 GLN 5 -0.759 0.338 -4.974
50 H TYR 6 H TYR 6 -2.812 -3.875 0.347
51 HA TYR 6 HA TYR 6 -1.932 -1.790 2.160
52 1HB TYR 6 2HB TYR 6 -1.467 -4.778 2.216
53 2HB TYR 6 1HB TYR 6 -0.999 -3.658 3.488
54 HD1 TYR 6 1HD TYR 6 -2.457 -5.679 4.556
55 HD2 TYR 6 2HD TYR 6 -4.021 -2.413 2.316
56 HE1 TYR 6 1HE TYR 6 -4.639 -5.981 5.645
57 HE2 TYR 6 2HE TYR 6 -6.201 -2.712 3.400
58 HH TYR 6 HH TYR 6 -6.855 -3.920 5.930
59 H TRP 7 H TRP 7 -0.843 -2.513 -0.727
60 HA TRP 7 HA TRP 7 1.154 -2.601 -1.826
61 1HB TRP 7 2HB TRP 7 2.715 -0.814 -1.173
62 2HB TRP 7 1HB TRP 7 1.050 -0.251 -1.184
63 HD1 TRP 7 HD TRP 7 3.395 -1.761 1.537
64 HE1 TRP 7 1HE TRP 7 3.103 -0.364 3.680
65 HE3 TRP 7 3HE TRP 7 -0.095 1.581 -0.137
66 HZ2 TRP 7 2HZ TRP 7 1.594 1.858 4.546
67 HZ3 TRP 7 3HZ TRP 7 -0.911 3.310 1.412
68 HH2 TRP 7 HH TRP 7 -0.083 3.444 3.705
69 H TRP 8 H TRP 8 3.774 -2.395 -1.151
70 HA TRP 8 HA TRP 8 4.314 -4.349 0.947
71 1HB TRP 8 2HB TRP 8 3.984 -5.670 -1.100
72 2HB TRP 8 1HB TRP 8 5.187 -4.701 -1.930
73 HD1 TRP 8 HD TRP 8 6.059 -7.408 -2.239
74 HE1 TRP 8 1HE TRP 8 7.863 -8.613 -0.863
75 HE3 TRP 8 3HE TRP 8 5.993 -4.490 1.986
76 HZ2 TRP 8 2HZ TRP 8 9.078 -8.387 1.662
77 HZ3 TRP 8 3HZ TRP 8 7.501 -5.073 3.829
78 HH2 TRP 8 HH TRP 8 9.009 -6.985 3.674
79 H ARG 9 H ARG 9 6.626 -3.667 -1.559
80 HA ARG 9 HA ARG 9 8.531 -2.649 0.233
81 1HB ARG 9 2HB ARG 9 8.429 -2.401 -2.778
82 2HB ARG 9 1HB ARG 9 9.838 -2.077 -1.780
83 1HG ARG 9 2HG ARG 9 8.447 -4.733 -2.062
84 2HG ARG 9 1HG ARG 9 9.971 -4.270 -2.820
85 1HD ARG 9 2HD ARG 9 10.979 -3.980 -0.608
86 2HD ARG 9 1HD ARG 9 9.455 -4.441 0.148
87 HE ARG 9 HE ARG 9 10.228 -6.485 -1.597
88 1HH1 ARG 9 1HH1 ARG 9 11.277 -5.021 1.392
89 2HH1 ARG 9 2HH1 ARG 9 12.010 -6.471 1.991
90 1HH2 ARG 9 1HH2 ARG 9 11.191 -8.394 -0.811
91 2HH2 ARG 9 2HH2 ARG 9 11.961 -8.387 0.740
92 HA PRO 10 HA PRO 10 7.465 1.719 -1.493
93 1HB PRO 10 2HB PRO 10 5.158 2.059 -2.850
94 2HB PRO 10 1HB PRO 10 6.658 1.569 -3.648
95 1HG PRO 10 2HG PRO 10 4.336 -0.111 -2.783
96 2HG PRO 10 1HG PRO 10 5.259 -0.174 -4.296
97 1HD PRO 10 2HD PRO 10 5.673 -1.893 -2.232
98 2HD PRO 10 1HD PRO 10 6.955 -1.403 -3.355
99 H SER 11 H SER 11 7.148 1.788 0.817
100 HA SER 11 HA SER 11 4.435 1.653 1.829
101 1HB SER 11 2HB SER 11 7.030 2.345 3.225
102 2HB SER 11 1HB SER 11 5.474 2.123 4.022
103 HG SER 11 HG SER 11 7.150 0.274 3.710
104 H ILE 12 H ILE 12 6.555 4.027 0.581
105 HA ILE 12 HA ILE 12 6.355 6.271 0.274
106 HB ILE 12 HB ILE 12 3.509 5.823 1.193
107 1HG1 ILE 12 2HG1 ILE 12 4.078 4.544 -0.816
108 2HG1 ILE 12 1HG1 ILE 12 2.979 5.862 -1.212
109 1HG2 ILE 12 1HG2 ILE 12 4.191 8.162 1.423
110 2HG2 ILE 12 2HG2 ILE 12 3.010 7.960 0.128
111 3HG2 ILE 12 3HG2 ILE 12 4.717 8.174 -0.262
112 1HD1 ILE 12 1HD1 ILE 12 5.505 5.265 -2.333
113 2HD1 ILE 12 2HD1 ILE 12 5.627 6.818 -1.507
114 3HD1 ILE 12 3HD1 ILE 12 4.396 6.573 -2.745
Start of MODEL 14
1 1H HIS 1 1HT HIS 1 -4.356 3.402 8.009
2 2H HIS 1 2HT HIS 1 -5.410 4.458 7.160
3 3H HIS 1 3HT HIS 1 -3.962 5.063 7.855
4 HA HIS 1 HA HIS 1 -3.478 4.891 5.647
5 1HB HIS 1 2HB HIS 1 -2.599 2.331 7.003
6 2HB HIS 1 1HB HIS 1 -1.848 3.031 5.573
7 HD1 HIS 1 1HD HIS 1 -1.171 5.765 6.150
8 HD2 HIS 1 2HD HIS 1 -1.151 2.930 9.189
9 HE1 HIS 1 1HE HIS 1 0.301 6.719 7.951
10 HE2 HIS 1 2HE HIS 1 0.230 5.026 9.815
11 HA PRO 2 HA PRO 2 -6.053 2.485 2.992
12 1HB PRO 2 2HB PRO 2 -4.448 2.105 0.839
13 2HB PRO 2 1HB PRO 2 -5.173 3.669 1.229
14 1HG PRO 2 2HG PRO 2 -2.402 2.676 1.776
15 2HG PRO 2 1HG PRO 2 -2.924 4.263 1.183
16 1HD PRO 2 2HD PRO 2 -2.256 3.818 3.771
17 2HD PRO 2 1HD PRO 2 -3.483 5.007 3.292
18 H LEU 3 H LEU 3 -6.416 0.512 3.918
19 HA LEU 3 HA LEU 3 -4.363 -1.551 3.638
20 1HB LEU 3 2HB LEU 3 -5.697 -2.842 5.241
21 2HB LEU 3 1HB LEU 3 -5.211 -1.281 5.870
22 HG LEU 3 HG LEU 3 -7.471 -0.410 5.431
23 1HD1 LEU 3 1HD1 LEU 3 -8.370 -1.617 3.674
24 2HD1 LEU 3 2HD1 LEU 3 -9.247 -2.245 5.068
25 3HD1 LEU 3 3HD1 LEU 3 -7.916 -3.170 4.375
26 1HD2 LEU 3 1HD2 LEU 3 -7.703 -2.931 7.038
27 2HD2 LEU 3 2HD2 LEU 3 -8.476 -1.370 7.313
28 3HD2 LEU 3 3HD2 LEU 3 -6.745 -1.557 7.587
29 H LYS 4 H LYS 4 -6.353 -0.487 1.544
30 HA LYS 4 HA LYS 4 -7.634 -3.041 0.865
31 1HB LYS 4 2HB LYS 4 -9.145 -1.124 0.996
32 2HB LYS 4 1HB LYS 4 -8.167 -0.253 -0.175
33 1HG LYS 4 2HG LYS 4 -8.711 -1.923 -1.875
34 2HG LYS 4 1HG LYS 4 -9.695 -2.796 -0.697
35 1HD LYS 4 2HD LYS 4 -11.149 -0.840 -0.462
36 2HD LYS 4 1HD LYS 4 -10.164 0.033 -1.638
37 1HE LYS 4 2HE LYS 4 -10.727 -1.632 -3.342
38 2HE LYS 4 1HE LYS 4 -11.709 -2.503 -2.166
39 1HZ LYS 4 1HZ LYS 4 -12.815 -0.121 -1.975
40 2HZ LYS 4 2HZ LYS 4 -13.319 -1.258 -3.122
41 3HZ LYS 4 3HZ LYS 4 -12.269 -0.011 -3.573
42 H GLN 5 H GLN 5 -5.061 -0.981 -0.002
43 HA GLN 5 HA GLN 5 -4.901 -1.984 -2.729
44 1HB GLN 5 2HB GLN 5 -4.424 0.380 -2.345
45 2HB GLN 5 1HB GLN 5 -3.138 -0.045 -1.225
46 1HG GLN 5 2HG GLN 5 -1.899 -1.098 -3.046
47 2HG GLN 5 1HG GLN 5 -3.190 -0.672 -4.169
48 1HE2 GLN 5 1HE2 GLN 5 -0.222 0.188 -3.165
49 2HE2 GLN 5 2HE2 GLN 5 -0.246 1.874 -3.540
50 H TYR 6 H TYR 6 -3.626 -2.676 0.376
51 HA TYR 6 HA TYR 6 -2.130 -4.211 1.138
52 1HB TYR 6 2HB TYR 6 -2.458 -5.370 -1.638
53 2HB TYR 6 1HB TYR 6 -1.705 -6.192 -0.280
54 HD1 TYR 6 1HD TYR 6 -3.621 -7.791 -1.339
55 HD2 TYR 6 2HD TYR 6 -4.316 -4.391 1.128
56 HE1 TYR 6 1HE TYR 6 -5.804 -8.714 -0.687
57 HE2 TYR 6 2HE TYR 6 -6.500 -5.306 1.781
58 HH TYR 6 HH TYR 6 -7.419 -8.057 1.780
59 H TRP 7 H TRP 7 -0.612 -2.385 1.144
60 HA TRP 7 HA TRP 7 1.259 -2.057 -0.986
61 1HB TRP 7 2HB TRP 7 2.463 -0.597 0.595
62 2HB TRP 7 1HB TRP 7 0.745 -0.216 0.539
63 HD1 TRP 7 HD TRP 7 2.929 -2.584 2.729
64 HE1 TRP 7 1HE TRP 7 2.184 -2.294 5.175
65 HE3 TRP 7 3HE TRP 7 -0.761 0.889 2.049
66 HZ2 TRP 7 2HZ TRP 7 0.285 -0.793 6.624
67 HZ3 TRP 7 3HZ TRP 7 -1.995 1.699 4.017
68 HH2 TRP 7 HH TRP 7 -1.482 0.873 6.257
69 H TRP 8 H TRP 8 3.724 -2.006 -0.060
70 HA TRP 8 HA TRP 8 4.411 -4.337 1.484
71 1HB TRP 8 2HB TRP 8 3.938 -5.327 -0.731
72 2HB TRP 8 1HB TRP 8 5.100 -4.234 -1.464
73 HD1 TRP 8 HD TRP 8 5.966 -6.846 -2.239
74 HE1 TRP 8 1HE TRP 8 7.809 -8.260 -1.140
75 HE3 TRP 8 3HE TRP 8 6.076 -4.634 2.392
76 HZ2 TRP 8 2HZ TRP 8 9.111 -8.443 1.344
77 HZ3 TRP 8 3HZ TRP 8 7.638 -5.511 4.067
78 HH2 TRP 8 HH TRP 8 9.122 -7.378 3.556
79 H ARG 9 H ARG 9 6.518 -3.230 -1.054
80 HA ARG 9 HA ARG 9 8.243 -1.975 0.927
81 1HB ARG 9 2HB ARG 9 8.768 -2.665 -1.968
82 2HB ARG 9 1HB ARG 9 9.941 -1.945 -0.878
83 1HG ARG 9 2HG ARG 9 8.658 -4.647 -0.542
84 2HG ARG 9 1HG ARG 9 10.295 -4.340 -1.129
85 1HD ARG 9 2HD ARG 9 10.852 -3.273 1.006
86 2HD ARG 9 1HD ARG 9 9.221 -3.595 1.592
87 HE ARG 9 HE ARG 9 10.361 -6.019 0.791
88 1HH1 ARG 9 1HH1 ARG 9 10.792 -3.576 3.248
89 2HH1 ARG 9 2HH1 ARG 9 11.432 -4.684 4.415
90 1HH2 ARG 9 1HH2 ARG 9 11.203 -7.478 2.327
91 2HH2 ARG 9 2HH2 ARG 9 11.665 -6.898 3.892
92 HA PRO 10 HA PRO 10 7.568 1.682 -2.043
93 1HB PRO 10 2HB PRO 10 5.966 1.494 -4.164
94 2HB PRO 10 1HB PRO 10 7.598 0.815 -4.198
95 1HG PRO 10 2HG PRO 10 4.976 -0.567 -3.832
96 2HG PRO 10 1HG PRO 10 6.399 -1.087 -4.749
97 1HD PRO 10 2HD PRO 10 5.735 -1.937 -2.187
98 2HD PRO 10 1HD PRO 10 7.342 -2.059 -2.924
99 H SER 11 H SER 11 6.451 2.403 -0.148
100 HA SER 11 HA SER 11 3.588 2.171 0.021
101 1HB SER 11 2HB SER 11 5.527 3.845 1.637
102 2HB SER 11 1HB SER 11 3.822 3.608 2.020
103 HG SER 11 HG SER 11 5.621 1.445 1.731
104 H ILE 12 H ILE 12 3.476 3.133 -2.256
105 HA ILE 12 HA ILE 12 3.320 6.073 -2.084
106 HB ILE 12 HB ILE 12 3.697 4.350 -4.540
107 1HG1 ILE 12 2HG1 ILE 12 5.719 4.517 -3.170
108 2HG1 ILE 12 1HG1 ILE 12 5.909 5.429 -4.664
109 1HG2 ILE 12 1HG2 ILE 12 4.222 6.850 -5.377
110 2HG2 ILE 12 2HG2 ILE 12 2.975 7.188 -4.176
111 3HG2 ILE 12 3HG2 ILE 12 2.637 6.090 -5.516
112 1HD1 ILE 12 1HD1 ILE 12 6.175 6.311 -1.971
113 2HD1 ILE 12 2HD1 ILE 12 4.874 7.212 -2.750
114 3HD1 ILE 12 3HD1 ILE 12 6.485 7.191 -3.467
Start of MODEL 15
1 1H HIS 1 1HT HIS 1 -4.729 7.088 -2.200
2 2H HIS 1 2HT HIS 1 -6.089 6.043 -2.149
3 3H HIS 1 3HT HIS 1 -4.609 5.497 -2.825
4 HA HIS 1 HA HIS 1 -3.587 5.878 -0.623
5 1HB HIS 1 2HB HIS 1 -6.513 6.056 0.133
6 2HB HIS 1 1HB HIS 1 -5.177 5.943 1.272
7 HD1 HIS 1 1HD HIS 1 -3.288 8.020 0.668
8 HD2 HIS 1 2HD HIS 1 -7.332 8.610 -0.081
9 HE1 HIS 1 1HE HIS 1 -3.596 10.513 0.567
10 HE2 HIS 1 2HE HIS 1 -6.032 10.843 0.015
11 HA PRO 2 HA PRO 2 -4.008 1.475 -0.614
12 1HB PRO 2 2HB PRO 2 -2.715 0.850 1.662
13 2HB PRO 2 1HB PRO 2 -1.865 1.494 0.251
14 1HG PRO 2 2HG PRO 2 -2.770 2.915 2.730
15 2HG PRO 2 1HG PRO 2 -1.226 3.045 1.867
16 1HD PRO 2 2HD PRO 2 -3.250 4.848 1.587
17 2HD PRO 2 1HD PRO 2 -2.080 4.492 0.301
18 H LEU 3 H LEU 3 -6.226 1.124 -0.373
19 HA LEU 3 HA LEU 3 -7.151 0.807 2.398
20 1HB LEU 3 2HB LEU 3 -9.427 1.212 1.588
21 2HB LEU 3 1HB LEU 3 -8.362 2.576 1.316
22 HG LEU 3 HG LEU 3 -8.160 1.931 -1.052
23 1HD1 LEU 3 1HD1 LEU 3 -8.529 -0.266 -1.413
24 2HD1 LEU 3 2HD1 LEU 3 -10.171 0.301 -1.704
25 3HD1 LEU 3 3HD1 LEU 3 -9.742 -0.388 -0.139
26 1HD2 LEU 3 1HD2 LEU 3 -9.742 3.568 -0.813
27 2HD2 LEU 3 2HD2 LEU 3 -10.790 2.564 0.189
28 3HD2 LEU 3 3HD2 LEU 3 -10.707 2.289 -1.551
29 H LYS 4 H LYS 4 -6.542 -0.796 -0.547
30 HA LYS 4 HA LYS 4 -7.725 -3.234 0.568
31 1HB LYS 4 2HB LYS 4 -9.311 -2.394 -1.081
32 2HB LYS 4 1HB LYS 4 -8.037 -2.310 -2.290
33 1HG LYS 4 2HG LYS 4 -7.788 -4.739 -2.201
34 2HG LYS 4 1HG LYS 4 -9.065 -4.823 -0.985
35 1HD LYS 4 2HD LYS 4 -10.649 -3.865 -2.587
36 2HD LYS 4 1HD LYS 4 -9.370 -3.780 -3.801
37 1HE LYS 4 2HE LYS 4 -9.134 -6.215 -3.717
38 2HE LYS 4 1HE LYS 4 -10.410 -6.298 -2.504
39 1HZ LYS 4 1HZ LYS 4 -11.078 -4.916 -4.973
40 2HZ LYS 4 2HZ LYS 4 -12.009 -5.971 -4.036
41 3HZ LYS 4 3HZ LYS 4 -10.849 -6.588 -5.101
42 H GLN 5 H GLN 5 -5.101 -1.704 -0.976
43 HA GLN 5 HA GLN 5 -3.928 -4.264 -1.769
44 1HB GLN 5 2HB GLN 5 -3.894 -2.513 -3.471
45 2HB GLN 5 1HB GLN 5 -3.040 -1.441 -2.370
46 1HG GLN 5 2HG GLN 5 -1.129 -2.961 -2.368
47 2HG GLN 5 1HG GLN 5 -1.986 -4.038 -3.469
48 1HE2 GLN 5 1HE2 GLN 5 0.326 -1.761 -3.330
49 2HE2 GLN 5 2HE2 GLN 5 0.238 -1.134 -4.938
50 H TYR 6 H TYR 6 -3.567 -1.624 0.445
51 HA TYR 6 HA TYR 6 -2.190 -1.254 2.224
52 1HB TYR 6 2HB TYR 6 -1.951 -4.269 2.138
53 2HB TYR 6 1HB TYR 6 -1.472 -3.253 3.491
54 HD1 TYR 6 1HD TYR 6 -3.127 -5.208 4.381
55 HD2 TYR 6 2HD TYR 6 -4.326 -1.733 2.235
56 HE1 TYR 6 1HE TYR 6 -5.386 -5.404 5.331
57 HE2 TYR 6 2HE TYR 6 -6.586 -1.923 3.178
58 HH TYR 6 HH TYR 6 -7.654 -4.705 4.850
59 H TRP 7 H TRP 7 -1.029 -1.149 -0.410
60 HA TRP 7 HA TRP 7 0.959 -1.171 -1.537
61 1HB TRP 7 2HB TRP 7 2.810 -0.149 -0.278
62 2HB TRP 7 1HB TRP 7 1.288 0.680 0.016
63 HD1 TRP 7 HD TRP 7 3.174 -2.241 1.775
64 HE1 TRP 7 1HE TRP 7 3.072 -1.817 4.312
65 HE3 TRP 7 3HE TRP 7 0.491 2.109 1.764
66 HZ2 TRP 7 2HZ TRP 7 1.996 0.107 6.075
67 HZ3 TRP 7 3HZ TRP 7 -0.033 3.178 3.918
68 HH2 TRP 7 HH TRP 7 0.705 2.197 6.028
69 H TRP 8 H TRP 8 3.550 -1.764 -0.905
70 HA TRP 8 HA TRP 8 3.658 -4.429 0.240
71 1HB TRP 8 2HB TRP 8 2.993 -4.835 -2.094
72 2HB TRP 8 1HB TRP 8 4.370 -3.903 -2.655
73 HD1 TRP 8 HD TRP 8 4.600 -6.441 -3.957
74 HE1 TRP 8 1HE TRP 8 6.107 -8.401 -3.259
75 HE3 TRP 8 3HE TRP 8 5.275 -5.269 0.996
76 HZ2 TRP 8 2HZ TRP 8 7.386 -9.343 -0.941
77 HZ3 TRP 8 3HZ TRP 8 6.644 -6.767 2.373
78 HH2 TRP 8 HH TRP 8 7.675 -8.766 1.427
79 H ARG 9 H ARG 9 5.999 -3.352 -2.102
80 HA ARG 9 HA ARG 9 8.078 -3.353 -0.159
81 1HB ARG 9 2HB ARG 9 8.113 -2.427 -3.035
82 2HB ARG 9 1HB ARG 9 9.534 -2.658 -2.028
83 1HG ARG 9 2HG ARG 9 7.589 -4.802 -2.856
84 2HG ARG 9 1HG ARG 9 9.196 -4.537 -3.533
85 1HD ARG 9 2HD ARG 9 10.189 -4.977 -1.338
86 2HD ARG 9 1HD ARG 9 8.581 -5.242 -0.664
87 HE ARG 9 HE ARG 9 8.921 -6.969 -2.839
88 1HH1 ARG 9 1HH1 ARG 9 10.194 -6.476 0.373
89 2HH1 ARG 9 2HH1 ARG 9 10.571 -8.148 0.616
90 1HH2 ARG 9 1HH2 ARG 9 9.417 -9.168 -2.522
91 2HH2 ARG 9 2HH2 ARG 9 10.132 -9.677 -1.028
92 HA PRO 10 HA PRO 10 8.065 1.407 -0.804
93 1HB PRO 10 2HB PRO 10 5.998 2.575 -2.063
94 2HB PRO 10 1HB PRO 10 7.370 1.902 -2.952
95 1HG PRO 10 2HG PRO 10 4.663 0.720 -2.468
96 2HG PRO 10 1HG PRO 10 5.623 0.742 -3.957
97 1HD PRO 10 2HD PRO 10 5.485 -1.410 -2.282
98 2HD PRO 10 1HD PRO 10 6.884 -1.060 -3.314
99 H SER 11 H SER 11 7.598 0.918 1.467
100 HA SER 11 HA SER 11 4.863 1.592 2.301
101 1HB SER 11 2HB SER 11 7.118 0.317 3.870
102 2HB SER 11 1HB SER 11 5.501 0.640 4.493
103 HG SER 11 HG SER 11 5.418 -1.428 3.811
104 H ILE 12 H ILE 12 4.426 3.336 3.563
105 HA ILE 12 HA ILE 12 6.213 5.516 3.544
106 HB ILE 12 HB ILE 12 3.726 5.110 5.214
107 1HG1 ILE 12 2HG1 ILE 12 3.294 4.977 2.809
108 2HG1 ILE 12 1HG1 ILE 12 2.626 6.464 3.476
109 1HG2 ILE 12 1HG2 ILE 12 3.901 7.773 4.901
110 2HG2 ILE 12 2HG2 ILE 12 5.616 7.360 4.954
111 3HG2 ILE 12 3HG2 ILE 12 4.559 6.913 6.293
112 1HD1 ILE 12 1HD1 ILE 12 4.747 6.065 1.496
113 2HD1 ILE 12 2HD1 ILE 12 5.072 7.311 2.702
114 3HD1 ILE 12 3HD1 ILE 12 3.618 7.403 1.706
Start of MODEL 16
1 1H HIS 1 1HT HIS 1 -4.729 6.538 4.506
2 2H HIS 1 2HT HIS 1 -3.367 7.132 5.365
3 3H HIS 1 3HT HIS 1 -4.650 6.366 6.209
4 HA HIS 1 HA HIS 1 -2.627 5.198 4.446
5 1HB HIS 1 2HB HIS 1 -3.638 4.579 7.232
6 2HB HIS 1 1HB HIS 1 -2.352 3.710 6.402
7 HD1 HIS 1 1HD HIS 1 -0.388 5.613 5.523
8 HD2 HIS 1 2HD HIS 1 -2.587 6.340 8.973
9 HE1 HIS 1 1HE HIS 1 0.959 7.280 6.839
10 HE2 HIS 1 2HE HIS 1 -0.430 7.766 8.885
11 HA PRO 2 HA PRO 2 -6.373 3.151 2.720
12 1HB PRO 2 2HB PRO 2 -4.095 1.892 1.252
13 2HB PRO 2 1HB PRO 2 -5.647 2.472 0.635
14 1HG PRO 2 2HG PRO 2 -3.430 3.901 0.281
15 2HG PRO 2 1HG PRO 2 -4.974 4.691 0.648
16 1HD PRO 2 2HD PRO 2 -2.609 4.247 2.400
17 2HD PRO 2 1HD PRO 2 -3.783 5.578 2.399
18 H LEU 3 H LEU 3 -7.051 0.929 2.693
19 HA LEU 3 HA LEU 3 -5.363 -0.906 4.233
20 1HB LEU 3 2HB LEU 3 -7.299 -1.622 5.551
21 2HB LEU 3 1HB LEU 3 -6.892 0.060 5.818
22 HG LEU 3 HG LEU 3 -8.747 0.735 4.349
23 1HD1 LEU 3 1HD1 LEU 3 -10.475 -1.162 3.951
24 2HD1 LEU 3 2HD1 LEU 3 -9.065 -2.217 4.052
25 3HD1 LEU 3 3HD1 LEU 3 -9.133 -0.950 2.827
26 1HD2 LEU 3 1HD2 LEU 3 -9.125 -0.834 6.828
27 2HD2 LEU 3 2HD2 LEU 3 -10.571 -0.423 5.905
28 3HD2 LEU 3 3HD2 LEU 3 -9.501 0.855 6.482
29 H LYS 4 H LYS 4 -6.638 -0.490 1.361
30 HA LYS 4 HA LYS 4 -7.326 -3.333 1.052
31 1HB LYS 4 2HB LYS 4 -9.360 -1.997 0.869
32 2HB LYS 4 1HB LYS 4 -8.609 -0.993 -0.363
33 1HG LYS 4 2HG LYS 4 -8.470 -2.918 -1.858
34 2HG LYS 4 1HG LYS 4 -9.215 -3.931 -0.621
35 1HD LYS 4 2HD LYS 4 -11.227 -2.537 -0.694
36 2HD LYS 4 1HD LYS 4 -10.479 -1.523 -1.930
37 1HE LYS 4 2HE LYS 4 -10.350 -3.451 -3.431
38 2HE LYS 4 1HE LYS 4 -11.093 -4.466 -2.195
39 1HZ LYS 4 1HZ LYS 4 -12.422 -2.054 -3.284
40 2HZ LYS 4 2HZ LYS 4 -13.113 -3.305 -2.381
41 3HZ LYS 4 3HZ LYS 4 -12.615 -3.588 -3.973
42 H GLN 5 H GLN 5 -5.349 -0.751 0.076
43 HA GLN 5 HA GLN 5 -4.842 -1.545 -2.599
44 1HB GLN 5 2HB GLN 5 -4.360 0.720 -1.823
45 2HB GLN 5 1HB GLN 5 -3.161 0.094 -0.701
46 1HG GLN 5 2HG GLN 5 -1.814 -0.697 -2.576
47 2HG GLN 5 1HG GLN 5 -3.017 -0.072 -3.703
48 1HE2 GLN 5 1HE2 GLN 5 -0.114 0.550 -2.380
49 2HE2 GLN 5 2HE2 GLN 5 -0.090 2.274 -2.490
50 H TYR 6 H TYR 6 -3.544 -2.464 0.485
51 HA TYR 6 HA TYR 6 -2.012 -4.024 1.133
52 1HB TYR 6 2HB TYR 6 -2.785 -5.268 -1.514
53 2HB TYR 6 1HB TYR 6 -1.917 -6.090 -0.226
54 HD1 TYR 6 1HD TYR 6 -4.070 -7.572 -0.954
55 HD2 TYR 6 2HD TYR 6 -4.178 -4.045 1.427
56 HE1 TYR 6 1HE TYR 6 -6.204 -8.301 0.024
57 HE2 TYR 6 2HE TYR 6 -6.312 -4.766 2.406
58 HH TYR 6 HH TYR 6 -8.150 -6.219 1.953
59 H TRP 7 H TRP 7 -0.297 -2.445 0.933
60 HA TRP 7 HA TRP 7 1.418 -2.806 -1.426
61 1HB TRP 7 2HB TRP 7 2.542 -0.736 -0.701
62 2HB TRP 7 1HB TRP 7 0.815 -0.489 -0.940
63 HD1 TRP 7 HD TRP 7 3.024 -1.475 2.112
64 HE1 TRP 7 1HE TRP 7 2.216 -0.107 4.137
65 HE3 TRP 7 3HE TRP 7 -0.763 1.131 -0.126
66 HZ2 TRP 7 2HZ TRP 7 0.235 1.820 4.710
67 HZ3 TRP 7 3HZ TRP 7 -2.066 2.716 1.231
68 HH2 TRP 7 HH TRP 7 -1.576 3.052 3.600
69 H TRP 8 H TRP 8 3.777 -2.874 -1.038
70 HA TRP 8 HA TRP 8 4.381 -4.399 1.411
71 1HB TRP 8 2HB TRP 8 4.575 -5.688 -0.687
72 2HB TRP 8 1HB TRP 8 5.725 -4.512 -1.300
73 HD1 TRP 8 HD TRP 8 7.081 -7.021 -1.485
74 HE1 TRP 8 1HE TRP 8 8.778 -7.996 0.179
75 HE3 TRP 8 3HE TRP 8 5.806 -4.325 2.693
76 HZ2 TRP 8 2HZ TRP 8 9.466 -7.699 2.888
77 HZ3 TRP 8 3HZ TRP 8 7.027 -4.758 4.776
78 HH2 TRP 8 HH TRP 8 8.817 -6.411 4.873
79 H ARG 9 H ARG 9 6.889 -3.286 -0.720
80 HA ARG 9 HA ARG 9 7.951 -1.593 1.387
81 1HB ARG 9 2HB ARG 9 9.143 -2.397 -1.271
82 2HB ARG 9 1HB ARG 9 9.961 -1.437 -0.051
83 1HG ARG 9 2HG ARG 9 9.017 -4.276 0.286
84 2HG ARG 9 1HG ARG 9 10.681 -3.761 -0.002
85 1HD ARG 9 2HD ARG 9 10.643 -2.494 2.097
86 2HD ARG 9 1HD ARG 9 8.987 -3.025 2.384
87 HE ARG 9 HE ARG 9 10.581 -5.291 2.026
88 1HH1 ARG 9 1HH1 ARG 9 10.177 -2.682 4.309
89 2HH1 ARG 9 2HH1 ARG 9 10.715 -3.618 5.663
90 1HH2 ARG 9 1HH2 ARG 9 11.286 -6.522 3.806
91 2HH2 ARG 9 2HH2 ARG 9 11.345 -5.799 5.378
92 HA PRO 10 HA PRO 10 7.421 1.658 -2.066
93 1HB PRO 10 2HB PRO 10 6.225 1.055 -4.374
94 2HB PRO 10 1HB PRO 10 7.915 0.625 -4.082
95 1HG PRO 10 2HG PRO 10 5.472 -1.090 -3.953
96 2HG PRO 10 1HG PRO 10 7.077 -1.471 -4.603
97 1HD PRO 10 2HD PRO 10 6.161 -2.210 -2.096
98 2HD PRO 10 1HD PRO 10 7.867 -2.102 -2.563
99 H SER 11 H SER 11 5.953 2.569 -0.619
100 HA SER 11 HA SER 11 3.154 1.899 -0.714
101 1HB SER 11 2HB SER 11 4.593 4.146 0.717
102 2HB SER 11 1HB SER 11 2.902 3.706 0.952
103 HG SER 11 HG SER 11 3.738 1.575 1.548
104 H ILE 12 H ILE 12 1.498 3.071 -1.603
105 HA ILE 12 HA ILE 12 0.429 4.503 -3.013
106 HB ILE 12 HB ILE 12 2.775 6.320 -2.432
107 1HG1 ILE 12 2HG1 ILE 12 1.516 5.710 -0.424
108 2HG1 ILE 12 1HG1 ILE 12 1.236 7.399 -0.840
109 1HG2 ILE 12 1HG2 ILE 12 1.652 6.980 -4.481
110 2HG2 ILE 12 2HG2 ILE 12 1.307 8.134 -3.193
111 3HG2 ILE 12 3HG2 ILE 12 0.093 6.945 -3.660
112 1HD1 ILE 12 1HD1 ILE 12 -0.843 6.396 -2.095
113 2HD1 ILE 12 2HD1 ILE 12 -0.886 6.732 -0.364
114 3HD1 ILE 12 3HD1 ILE 12 -0.619 5.085 -0.936
Start of MODEL 17
1 1H HIS 1 1HT HIS 1 -3.457 5.197 5.503
2 2H HIS 1 2HT HIS 1 -3.704 3.500 5.403
3 3H HIS 1 3HT HIS 1 -4.408 4.399 6.684
4 HA HIS 1 HA HIS 1 -6.191 4.306 5.432
5 1HB HIS 1 2HB HIS 1 -4.611 6.481 4.043
6 2HB HIS 1 1HB HIS 1 -6.359 6.299 3.975
7 HD1 HIS 1 1HD HIS 1 -7.362 6.148 6.662
8 HD2 HIS 1 2HD HIS 1 -3.947 8.370 5.841
9 HE1 HIS 1 1HE HIS 1 -7.147 7.779 8.564
10 HE2 HIS 1 2HE HIS 1 -5.125 9.172 7.999
11 HA PRO 2 HA PRO 2 -4.916 3.272 0.940
12 1HB PRO 2 2HB PRO 2 -2.336 3.208 0.225
13 2HB PRO 2 1HB PRO 2 -3.238 4.727 0.288
14 1HG PRO 2 2HG PRO 2 -1.301 3.590 2.259
15 2HG PRO 2 1HG PRO 2 -1.483 5.263 1.705
16 1HD PRO 2 2HD PRO 2 -2.499 4.281 4.070
17 2HD PRO 2 1HD PRO 2 -3.132 5.703 3.220
18 H LEU 3 H LEU 3 -5.361 1.454 2.835
19 HA LEU 3 HA LEU 3 -3.394 -0.680 2.385
20 1HB LEU 3 2HB LEU 3 -4.283 -1.742 4.406
21 2HB LEU 3 1HB LEU 3 -3.634 -0.146 4.716
22 HG LEU 3 HG LEU 3 -5.920 0.764 4.773
23 1HD1 LEU 3 1HD1 LEU 3 -6.644 -2.064 4.150
24 2HD1 LEU 3 2HD1 LEU 3 -7.265 -0.568 3.455
25 3HD1 LEU 3 3HD1 LEU 3 -7.742 -1.049 5.083
26 1HD2 LEU 3 1HD2 LEU 3 -5.429 -1.558 6.631
27 2HD2 LEU 3 2HD2 LEU 3 -6.578 -0.249 6.909
28 3HD2 LEU 3 3HD2 LEU 3 -4.849 0.094 6.841
29 H LYS 4 H LYS 4 -5.947 0.278 0.854
30 HA LYS 4 HA LYS 4 -7.660 -2.018 0.932
31 1HB LYS 4 2HB LYS 4 -8.550 0.186 0.362
32 2HB LYS 4 1HB LYS 4 -7.503 0.259 -1.048
33 1HG LYS 4 2HG LYS 4 -8.678 -1.647 -2.024
34 2HG LYS 4 1HG LYS 4 -9.728 -1.722 -0.608
35 1HD LYS 4 2HD LYS 4 -10.545 0.535 -1.096
36 2HD LYS 4 1HD LYS 4 -9.492 0.609 -2.510
37 1HE LYS 4 2HE LYS 4 -10.681 -1.291 -3.492
38 2HE LYS 4 1HE LYS 4 -11.732 -1.366 -2.077
39 1HZ LYS 4 1HZ LYS 4 -12.055 1.173 -2.794
40 2HZ LYS 4 2HZ LYS 4 -13.040 -0.082 -3.358
41 3HZ LYS 4 3HZ LYS 4 -11.765 0.486 -4.313
42 H GLN 5 H GLN 5 -4.751 -1.226 -0.669
43 HA GLN 5 HA GLN 5 -5.141 -3.430 -2.581
44 1HB GLN 5 2HB GLN 5 -4.718 -1.275 -3.655
45 2HB GLN 5 1HB GLN 5 -3.245 -1.078 -2.717
46 1HG GLN 5 2HG GLN 5 -2.271 -3.019 -3.830
47 2HG GLN 5 1HG GLN 5 -3.751 -3.224 -4.766
48 1HE2 GLN 5 1HE2 GLN 5 -0.707 -2.097 -4.917
49 2HE2 GLN 5 2HE2 GLN 5 -0.883 -0.901 -6.151
50 H TYR 6 H TYR 6 -3.701 -2.732 0.319
51 HA TYR 6 HA TYR 6 -2.165 -3.802 1.603
52 1HB TYR 6 2HB TYR 6 -2.156 -5.830 -0.644
53 2HB TYR 6 1HB TYR 6 -1.427 -6.065 0.937
54 HD1 TYR 6 1HD TYR 6 -3.082 -8.145 0.397
55 HD2 TYR 6 2HD TYR 6 -4.310 -4.243 1.573
56 HE1 TYR 6 1HE TYR 6 -5.199 -9.068 1.236
57 HE2 TYR 6 2HE TYR 6 -6.429 -5.158 2.412
58 HH TYR 6 HH TYR 6 -7.441 -8.367 1.748
59 H TRP 7 H TRP 7 -0.615 -2.202 1.475
60 HA TRP 7 HA TRP 7 1.165 -1.862 -0.691
61 1HB TRP 7 2HB TRP 7 2.462 -0.455 0.864
62 2HB TRP 7 1HB TRP 7 0.743 -0.076 0.921
63 HD1 TRP 7 HD TRP 7 3.053 -2.508 2.902
64 HE1 TRP 7 1HE TRP 7 2.454 -2.297 5.396
65 HE3 TRP 7 3HE TRP 7 -0.670 0.978 2.550
66 HZ2 TRP 7 2HZ TRP 7 0.643 -0.845 7.001
67 HZ3 TRP 7 3HZ TRP 7 -1.786 1.723 4.612
68 HH2 TRP 7 HH TRP 7 -1.142 0.830 6.791
69 H TRP 8 H TRP 8 3.678 -1.851 0.027
70 HA TRP 8 HA TRP 8 4.596 -4.042 1.560
71 1HB TRP 8 2HB TRP 8 3.626 -5.333 -0.293
72 2HB TRP 8 1HB TRP 8 4.591 -4.425 -1.442
73 HD1 TRP 8 HD TRP 8 5.195 -7.175 -1.956
74 HE1 TRP 8 1HE TRP 8 7.253 -8.479 -1.143
75 HE3 TRP 8 3HE TRP 8 6.498 -4.272 2.074
76 HZ2 TRP 8 2HZ TRP 8 9.153 -8.326 0.923
77 HZ3 TRP 8 3HZ TRP 8 8.441 -4.940 3.412
78 HH2 TRP 8 HH TRP 8 9.739 -6.929 2.853
79 H ARG 9 H ARG 9 6.156 -3.504 -1.495
80 HA ARG 9 HA ARG 9 8.521 -2.564 -0.311
81 1HB ARG 9 2HB ARG 9 7.627 -2.367 -3.192
82 2HB ARG 9 1HB ARG 9 9.265 -2.098 -2.618
83 1HG ARG 9 2HG ARG 9 7.730 -4.681 -2.432
84 2HG ARG 9 1HG ARG 9 9.015 -4.314 -3.584
85 1HD ARG 9 2HD ARG 9 10.591 -4.034 -1.733
86 2HD ARG 9 1HD ARG 9 9.305 -4.400 -0.582
87 HE ARG 9 HE ARG 9 9.490 -6.516 -2.403
88 1HH1 ARG 9 1HH1 ARG 9 11.360 -5.052 0.154
89 2HH1 ARG 9 2HH1 ARG 9 12.162 -6.525 0.581
90 1HH2 ARG 9 1HH2 ARG 9 10.544 -8.456 -1.843
91 2HH2 ARG 9 2HH2 ARG 9 11.700 -8.457 -0.553
92 HA PRO 10 HA PRO 10 7.261 1.822 -2.061
93 1HB PRO 10 2HB PRO 10 4.530 2.155 -2.274
94 2HB PRO 10 1HB PRO 10 5.616 1.836 -3.629
95 1HG PRO 10 2HG PRO 10 3.880 -0.056 -2.105
96 2HG PRO 10 1HG PRO 10 4.225 0.002 -3.843
97 1HD PRO 10 2HD PRO 10 5.398 -1.792 -2.233
98 2HD PRO 10 1HD PRO 10 6.261 -1.068 -3.602
99 H SER 11 H SER 11 4.207 1.031 -0.525
100 HA SER 11 HA SER 11 3.284 1.612 1.472
101 1HB SER 11 2HB SER 11 6.168 1.600 2.395
102 2HB SER 11 1HB SER 11 4.760 1.624 3.455
103 HG SER 11 HG SER 11 4.147 -0.389 2.396
104 H ILE 12 H ILE 12 3.313 3.372 3.220
105 HA ILE 12 HA ILE 12 3.204 5.580 3.759
106 HB ILE 12 HB ILE 12 5.661 5.792 2.010
107 1HG1 ILE 12 2HG1 ILE 12 5.960 4.265 3.900
108 2HG1 ILE 12 1HG1 ILE 12 6.891 5.739 4.143
109 1HG2 ILE 12 1HG2 ILE 12 5.211 7.994 2.180
110 2HG2 ILE 12 2HG2 ILE 12 5.889 7.803 3.797
111 3HG2 ILE 12 3HG2 ILE 12 4.141 7.777 3.564
112 1HD1 ILE 12 1HD1 ILE 12 4.898 4.564 5.810
113 2HD1 ILE 12 2HD1 ILE 12 4.386 6.181 5.328
114 3HD1 ILE 12 3HD1 ILE 12 5.942 5.951 6.125
Start of MODEL 18
1 1H HIS 1 1HT HIS 1 -7.154 6.810 4.071
2 2H HIS 1 2HT HIS 1 -7.787 5.252 3.726
3 3H HIS 1 3HT HIS 1 -7.252 6.266 2.449
4 HA HIS 1 HA HIS 1 -5.023 6.210 3.509
5 1HB HIS 1 2HB HIS 1 -6.362 3.905 4.948
6 2HB HIS 1 1HB HIS 1 -4.638 4.262 4.986
7 HD1 HIS 1 1HD HIS 1 -4.294 7.000 5.786
8 HD2 HIS 1 2HD HIS 1 -7.543 4.820 7.186
9 HE1 HIS 1 1HE HIS 1 -5.054 8.188 7.869
10 HE2 HIS 1 2HE HIS 1 -6.978 6.812 8.736
11 HA PRO 2 HA PRO 2 -4.563 3.500 0.027
12 1HB PRO 2 2HB PRO 2 -1.888 3.334 -0.076
13 2HB PRO 2 1HB PRO 2 -2.737 4.838 -0.447
14 1HG PRO 2 2HG PRO 2 -1.339 4.025 2.070
15 2HG PRO 2 1HG PRO 2 -1.316 5.587 1.233
16 1HD PRO 2 2HD PRO 2 -2.881 5.044 3.419
17 2HD PRO 2 1HD PRO 2 -3.279 6.266 2.196
18 H LEU 3 H LEU 3 -5.454 1.979 2.040
19 HA LEU 3 HA LEU 3 -3.518 -0.221 2.257
20 1HB LEU 3 2HB LEU 3 -4.735 -0.941 4.259
21 2HB LEU 3 1HB LEU 3 -4.066 0.669 4.421
22 HG LEU 3 HG LEU 3 -6.292 1.630 4.005
23 1HD1 LEU 3 1HD1 LEU 3 -8.226 -0.058 4.301
24 2HD1 LEU 3 2HD1 LEU 3 -7.058 -1.245 3.721
25 3HD1 LEU 3 3HD1 LEU 3 -7.488 0.137 2.711
26 1HD2 LEU 3 1HD2 LEU 3 -7.326 0.865 6.146
27 2HD2 LEU 3 2HD2 LEU 3 -5.633 1.341 6.278
28 3HD2 LEU 3 3HD2 LEU 3 -6.068 -0.367 6.246
29 H LYS 4 H LYS 4 -5.672 0.507 0.178
30 HA LYS 4 HA LYS 4 -7.579 -1.618 0.333
31 1HB LYS 4 2HB LYS 4 -8.100 0.463 -0.840
32 2HB LYS 4 1HB LYS 4 -6.800 0.159 -1.984
33 1HG LYS 4 2HG LYS 4 -7.963 -1.833 -2.783
34 2HG LYS 4 1HG LYS 4 -9.269 -1.531 -1.634
35 1HD LYS 4 2HD LYS 4 -9.725 0.615 -2.725
36 2HD LYS 4 1HD LYS 4 -8.420 0.308 -3.873
37 1HE LYS 4 2HE LYS 4 -9.600 -1.677 -4.680
38 2HE LYS 4 1HE LYS 4 -10.903 -1.371 -3.532
39 1HZ LYS 4 1HZ LYS 4 -10.173 0.155 -5.947
40 2HZ LYS 4 2HZ LYS 4 -11.044 0.894 -4.699
41 3HZ LYS 4 3HZ LYS 4 -11.683 -0.458 -5.491
42 H GLN 5 H GLN 5 -4.352 -1.360 -0.762
43 HA GLN 5 HA GLN 5 -4.579 -3.958 -2.134
44 1HB GLN 5 2HB GLN 5 -3.911 -2.168 -3.660
45 2HB GLN 5 1HB GLN 5 -2.577 -1.740 -2.598
46 1HG GLN 5 2HG GLN 5 -1.548 -3.914 -3.008
47 2HG GLN 5 1HG GLN 5 -2.890 -4.350 -4.066
48 1HE2 GLN 5 1HE2 GLN 5 0.195 -3.326 -4.055
49 2HE2 GLN 5 2HE2 GLN 5 0.250 -2.500 -5.572
50 H TYR 6 H TYR 6 -3.530 -2.504 0.650
51 HA TYR 6 HA TYR 6 -2.310 -3.245 2.415
52 1HB TYR 6 2HB TYR 6 -1.877 -5.725 0.736
53 2HB TYR 6 1HB TYR 6 -1.457 -5.563 2.434
54 HD1 TYR 6 1HD TYR 6 -2.982 -7.781 2.095
55 HD2 TYR 6 2HD TYR 6 -4.407 -3.769 2.094
56 HE1 TYR 6 1HE TYR 6 -5.221 -8.578 2.724
57 HE2 TYR 6 2HE TYR 6 -6.647 -4.559 2.721
58 HH TYR 6 HH TYR 6 -7.499 -6.834 4.026
59 H TRP 7 H TRP 7 -1.129 -2.201 -0.348
60 HA TRP 7 HA TRP 7 0.921 -1.748 -1.260
61 1HB TRP 7 2HB TRP 7 2.400 -0.569 0.319
62 2HB TRP 7 1HB TRP 7 0.720 -0.088 0.512
63 HD1 TRP 7 HD TRP 7 2.974 -2.807 2.160
64 HE1 TRP 7 1HE TRP 7 2.531 -2.751 4.695
65 HE3 TRP 7 3HE TRP 7 -0.531 0.913 2.293
66 HZ2 TRP 7 2HZ TRP 7 0.910 -1.322 6.511
67 HZ3 TRP 7 3HZ TRP 7 -1.479 1.564 4.469
68 HH2 TRP 7 HH TRP 7 -0.773 0.467 6.534
69 H TRP 8 H TRP 8 3.517 -1.916 -0.262
70 HA TRP 8 HA TRP 8 4.176 -4.479 0.739
71 1HB TRP 8 2HB TRP 8 3.381 -5.187 -1.480
72 2HB TRP 8 1HB TRP 8 4.506 -4.078 -2.244
73 HD1 TRP 8 HD TRP 8 5.070 -6.635 -3.397
74 HE1 TRP 8 1HE TRP 8 6.967 -8.237 -2.740
75 HE3 TRP 8 3HE TRP 8 5.986 -4.958 1.369
76 HZ2 TRP 8 2HZ TRP 8 8.610 -8.747 -0.519
77 HZ3 TRP 8 3HZ TRP 8 7.731 -6.076 2.683
78 HH2 TRP 8 HH TRP 8 9.013 -7.934 1.761
79 H ARG 9 H ARG 9 6.048 -3.193 -1.903
80 HA ARG 9 HA ARG 9 8.260 -2.663 -0.187
81 1HB ARG 9 2HB ARG 9 7.874 -2.012 -3.113
82 2HB ARG 9 1HB ARG 9 9.395 -1.894 -2.240
83 1HG ARG 9 2HG ARG 9 7.818 -4.416 -2.705
84 2HG ARG 9 1HG ARG 9 9.283 -3.932 -3.560
85 1HD ARG 9 2HD ARG 9 10.526 -3.986 -1.451
86 2HD ARG 9 1HD ARG 9 9.061 -4.472 -0.600
87 HE ARG 9 HE ARG 9 9.530 -6.300 -2.665
88 1HH1 ARG 9 1HH1 ARG 9 10.948 -5.301 0.364
89 2HH1 ARG 9 2HH1 ARG 9 11.656 -6.848 0.687
90 1HH2 ARG 9 1HH2 ARG 9 10.458 -8.336 -2.240
91 2HH2 ARG 9 2HH2 ARG 9 11.376 -8.572 -0.792
92 HA PRO 10 HA PRO 10 7.298 1.936 -1.150
93 1HB PRO 10 2HB PRO 10 4.988 2.613 -2.333
94 2HB PRO 10 1HB PRO 10 6.390 2.088 -3.273
95 1HG PRO 10 2HG PRO 10 3.961 0.537 -2.466
96 2HG PRO 10 1HG PRO 10 4.804 0.564 -4.026
97 1HD PRO 10 2HD PRO 10 5.140 -1.396 -2.144
98 2HD PRO 10 1HD PRO 10 6.372 -0.953 -3.341
99 H SER 11 H SER 11 7.058 1.498 1.192
100 HA SER 11 HA SER 11 4.433 1.373 2.335
101 1HB SER 11 2HB SER 11 7.107 1.968 3.625
102 2HB SER 11 1HB SER 11 5.608 1.640 4.494
103 HG SER 11 HG SER 11 5.625 -0.408 3.238
104 H ILE 12 H ILE 12 3.088 3.043 2.312
105 HA ILE 12 HA ILE 12 2.244 5.149 2.493
106 HB ILE 12 HB ILE 12 4.787 5.671 4.042
107 1HG1 ILE 12 2HG1 ILE 12 3.417 3.895 5.023
108 2HG1 ILE 12 1HG1 ILE 12 3.363 5.342 6.025
109 1HG2 ILE 12 1HG2 ILE 12 4.110 7.811 3.690
110 2HG2 ILE 12 2HG2 ILE 12 3.069 7.432 5.063
111 3HG2 ILE 12 3HG2 ILE 12 2.427 7.351 3.422
112 1HD1 ILE 12 1HD1 ILE 12 1.211 5.727 4.422
113 2HD1 ILE 12 2HD1 ILE 12 1.160 4.983 6.019
114 3HD1 ILE 12 3HD1 ILE 12 1.226 3.970 4.576
Start of MODEL 19
1 1H HIS 1 1HT HIS 1 -5.182 8.017 -0.804
2 2H HIS 1 2HT HIS 1 -6.615 7.632 0.059
3 3H HIS 1 3HT HIS 1 -6.358 6.990 -1.511
4 HA HIS 1 HA HIS 1 -4.396 5.842 -0.656
5 1HB HIS 1 2HB HIS 1 -5.556 6.786 1.977
6 2HB HIS 1 1HB HIS 1 -4.235 5.635 1.804
7 HD1 HIS 1 1HD HIS 1 -2.214 6.814 0.139
8 HD2 HIS 1 2HD HIS 1 -4.586 9.228 2.549
9 HE1 HIS 1 1HE HIS 1 -0.927 8.957 0.417
10 HE2 HIS 1 2HE HIS 1 -2.424 10.436 1.803
11 HA PRO 2 HA PRO 2 -8.083 3.122 -0.846
12 1HB PRO 2 2HB PRO 2 -6.849 1.177 -2.294
13 2HB PRO 2 1HB PRO 2 -7.579 2.610 -3.026
14 1HG PRO 2 2HG PRO 2 -4.707 2.069 -2.374
15 2HG PRO 2 1HG PRO 2 -5.405 2.806 -3.828
16 1HD PRO 2 2HD PRO 2 -4.285 4.279 -1.862
17 2HD PRO 2 1HD PRO 2 -5.663 4.864 -2.815
18 H LEU 3 H LEU 3 -8.531 1.878 0.847
19 HA LEU 3 HA LEU 3 -6.481 0.792 2.504
20 1HB LEU 3 2HB LEU 3 -8.322 -0.078 3.865
21 2HB LEU 3 1HB LEU 3 -8.504 1.625 3.501
22 HG LEU 3 HG LEU 3 -10.163 1.069 1.769
23 1HD1 LEU 3 1HD1 LEU 3 -9.829 -1.025 0.948
24 2HD1 LEU 3 2HD1 LEU 3 -11.102 -1.374 2.116
25 3HD1 LEU 3 3HD1 LEU 3 -9.419 -1.700 2.525
26 1HD2 LEU 3 1HD2 LEU 3 -10.577 0.215 4.604
27 2HD2 LEU 3 2HD2 LEU 3 -11.886 0.088 3.429
28 3HD2 LEU 3 3HD2 LEU 3 -11.159 1.658 3.773
29 H LYS 4 H LYS 4 -7.924 -0.333 -0.310
30 HA LYS 4 HA LYS 4 -7.851 -3.140 0.355
31 1HB LYS 4 2HB LYS 4 -9.518 -2.310 -1.228
32 2HB LYS 4 1HB LYS 4 -8.242 -1.742 -2.296
33 1HG LYS 4 2HG LYS 4 -7.502 -4.043 -2.642
34 2HG LYS 4 1HG LYS 4 -8.781 -4.614 -1.568
35 1HD LYS 4 2HD LYS 4 -10.464 -3.684 -3.083
36 2HD LYS 4 1HD LYS 4 -9.184 -3.113 -4.155
37 1HE LYS 4 2HE LYS 4 -8.453 -5.421 -4.509
38 2HE LYS 4 1HE LYS 4 -9.731 -5.992 -3.437
39 1HZ LYS 4 1HZ LYS 4 -10.000 -5.838 -6.069
40 2HZ LYS 4 2HZ LYS 4 -10.573 -4.304 -5.649
41 3HZ LYS 4 3HZ LYS 4 -11.303 -5.685 -5.001
42 H GLN 5 H GLN 5 -5.625 -0.806 -0.753
43 HA GLN 5 HA GLN 5 -3.857 -2.821 -1.919
44 1HB GLN 5 2HB GLN 5 -4.159 -0.751 -3.183
45 2HB GLN 5 1HB GLN 5 -3.608 0.189 -1.802
46 1HG GLN 5 2HG GLN 5 -1.407 -0.854 -1.966
47 2HG GLN 5 1HG GLN 5 -1.959 -1.798 -3.349
48 1HE2 GLN 5 1HE2 GLN 5 -0.227 0.818 -2.505
49 2HE2 GLN 5 2HE2 GLN 5 -0.391 1.770 -3.938
50 H TYR 6 H TYR 6 -3.088 -3.935 -0.152
51 HA TYR 6 HA TYR 6 -2.116 -2.660 2.202
52 1HB TYR 6 2HB TYR 6 -1.626 -5.458 1.160
53 2HB TYR 6 1HB TYR 6 -1.232 -4.896 2.779
54 HD1 TYR 6 1HD TYR 6 -2.720 -7.155 2.958
55 HD2 TYR 6 2HD TYR 6 -4.202 -3.282 1.994
56 HE1 TYR 6 1HE TYR 6 -4.956 -7.821 3.731
57 HE2 TYR 6 2HE TYR 6 -6.439 -3.942 2.764
58 HH TYR 6 HH TYR 6 -7.749 -5.925 3.138
59 H TRP 7 H TRP 7 -0.821 -3.012 -0.893
60 HA TRP 7 HA TRP 7 1.261 -2.851 -1.809
61 1HB TRP 7 2HB TRP 7 2.551 -0.918 -1.006
62 2HB TRP 7 1HB TRP 7 0.842 -0.539 -1.156
63 HD1 TRP 7 HD TRP 7 3.094 -1.839 1.746
64 HE1 TRP 7 1HE TRP 7 2.469 -0.522 3.867
65 HE3 TRP 7 3HE TRP 7 -0.577 1.141 -0.199
66 HZ2 TRP 7 2HZ TRP 7 0.660 1.512 4.617
67 HZ3 TRP 7 3HZ TRP 7 -1.705 2.746 1.288
68 HH2 TRP 7 HH TRP 7 -1.098 2.926 3.646
69 H TRP 8 H TRP 8 3.769 -2.376 -0.913
70 HA TRP 8 HA TRP 8 4.414 -4.121 1.295
71 1HB TRP 8 2HB TRP 8 4.094 -5.719 -0.546
72 2HB TRP 8 1HB TRP 8 5.246 -4.831 -1.527
73 HD1 TRP 8 HD TRP 8 6.213 -7.524 -1.487
74 HE1 TRP 8 1HE TRP 8 8.084 -8.470 -0.003
75 HE3 TRP 8 3HE TRP 8 6.114 -4.066 2.308
76 HZ2 TRP 8 2HZ TRP 8 9.335 -7.862 2.440
77 HZ3 TRP 8 3HZ TRP 8 7.675 -4.342 4.177
78 HH2 TRP 8 HH TRP 8 9.249 -6.204 4.247
79 H ARG 9 H ARG 9 6.619 -3.661 -1.367
80 HA ARG 9 HA ARG 9 8.567 -2.423 0.208
81 1HB ARG 9 2HB ARG 9 8.285 -2.379 -2.803
82 2HB ARG 9 1HB ARG 9 9.733 -1.941 -1.910
83 1HG ARG 9 2HG ARG 9 8.436 -4.658 -1.941
84 2HG ARG 9 1HG ARG 9 9.893 -4.189 -2.819
85 1HD ARG 9 2HD ARG 9 11.017 -3.718 -0.698
86 2HD ARG 9 1HD ARG 9 9.560 -4.185 0.179
87 HE ARG 9 HE ARG 9 10.307 -6.311 -1.475
88 1HH1 ARG 9 1HH1 ARG 9 11.485 -4.612 1.336
89 2HH1 ARG 9 2HH1 ARG 9 12.307 -5.993 1.980
90 1HH2 ARG 9 1HH2 ARG 9 11.387 -8.128 -0.630
91 2HH2 ARG 9 2HH2 ARG 9 12.252 -7.990 0.864
92 HA PRO 10 HA PRO 10 7.138 1.765 -1.596
93 1HB PRO 10 2HB PRO 10 4.640 1.523 -2.977
94 2HB PRO 10 1HB PRO 10 6.223 1.895 -3.659
95 1HG PRO 10 2HG PRO 10 4.812 -0.423 -4.151
96 2HG PRO 10 1HG PRO 10 6.566 -0.253 -4.334
97 1HD PRO 10 2HD PRO 10 5.000 -1.429 -2.070
98 2HD PRO 10 1HD PRO 10 6.517 -1.991 -2.800
99 H SER 11 H SER 11 6.588 2.686 0.295
100 HA SER 11 HA SER 11 4.033 2.018 1.541
101 1HB SER 11 2HB SER 11 6.347 3.672 2.574
102 2HB SER 11 1HB SER 11 4.899 3.262 3.493
103 HG SER 11 HG SER 11 6.839 1.465 2.465
104 H ILE 12 H ILE 12 5.548 4.530 -0.251
105 HA ILE 12 HA ILE 12 3.154 6.205 0.115
106 HB ILE 12 HB ILE 12 5.998 7.196 -0.151
107 1HG1 ILE 12 2HG1 ILE 12 5.483 6.364 2.093
108 2HG1 ILE 12 1HG1 ILE 12 5.637 8.118 2.104
109 1HG2 ILE 12 1HG2 ILE 12 3.379 8.512 -0.484
110 2HG2 ILE 12 2HG2 ILE 12 4.951 8.917 -1.173
111 3HG2 ILE 12 3HG2 ILE 12 4.568 9.385 0.484
112 1HD1 ILE 12 1HD1 ILE 12 3.045 6.591 2.067
113 2HD1 ILE 12 2HD1 ILE 12 3.221 8.345 2.128
114 3HD1 ILE 12 3HD1 ILE 12 3.775 7.355 3.477