Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
27076 | 2oyv RC | 15145 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HN PCA 1 HN PCA 1 -23.851 -8.813 14.525
2 HA PCA 1 HA PCA 1 -21.418 -8.205 14.451
3 1HB PCA 1 1HB PCA 1 -20.188 -10.585 14.525
4 2HB PCA 1 2HB PCA 1 -20.507 -9.762 15.899
5 1HG PCA 1 1HG PCA 1 -21.872 -12.060 14.892
6 2HG PCA 1 2HG PCA 1 -21.772 -11.562 16.445
7 H LEU 2 H LEU 2 -20.267 -7.840 12.551
8 HA LEU 2 HA LEU 2 -21.381 -8.743 10.137
9 1HB LEU 2 1HB LEU 2 -22.158 -6.445 10.500
10 2HB LEU 2 2HB LEU 2 -20.588 -5.994 10.523
11 HG LEU 2 HG LEU 2 -20.466 -6.875 8.234
12 1HD1 LEU 2 1HD1 LEU 2 -22.497 -6.916 6.963
13 2HD1 LEU 2 2HD1 LEU 2 -23.349 -6.680 8.335
14 3HD1 LEU 2 3HD1 LEU 2 -22.510 -8.065 8.123
15 1HD2 LEU 2 1HD2 LEU 2 -21.302 -4.805 7.282
16 2HD2 LEU 2 2HD2 LEU 2 -20.447 -4.510 8.641
17 3HD2 LEU 2 3HD2 LEU 2 -22.079 -4.494 8.684
18 H TYR 3 H TYR 3 -19.877 -10.090 9.358
19 HA TYR 3 HA TYR 3 -17.089 -9.233 9.395
20 1HB TYR 3 1HB TYR 3 -16.275 -11.293 10.056
21 2HB TYR 3 2HB TYR 3 -17.275 -10.709 11.208
22 HD1 TYR 3 HD1 TYR 3 -16.826 -13.366 8.842
23 HD2 TYR 3 HD2 TYR 3 -19.320 -11.901 11.821
24 HE1 TYR 3 HE1 TYR 3 -17.999 -15.451 8.891
25 HE2 TYR 3 HE2 TYR 3 -20.492 -13.985 11.859
26 HH TYR 3 HH TYR 3 -20.753 -16.026 11.083
27 H GLU 4 H GLU 4 -15.905 -9.462 7.518
28 HA GLU 4 HA GLU 4 -17.304 -10.511 5.213
29 1HB GLU 4 1HB GLU 4 -15.677 -9.536 3.910
30 2HB GLU 4 2HB GLU 4 -16.257 -8.448 4.981
31 1HG GLU 4 1HG GLU 4 -14.248 -8.554 6.210
32 2HG GLU 4 2HG GLU 4 -13.669 -9.696 5.196
33 H ASN 5 H ASN 5 -17.584 -12.633 5.086
34 HA ASN 5 HA ASN 5 -15.329 -14.397 5.520
35 1HB ASN 5 1HB ASN 5 -16.873 -16.145 5.461
36 2HB ASN 5 2HB ASN 5 -17.361 -14.999 6.517
37 1HD2 ASN 5 1HD2 ASN 5 -19.214 -16.779 6.093
38 2HD2 ASN 5 2HD2 ASN 5 -20.419 -16.195 4.995
39 H LYS 6 H LYS 6 -13.948 -15.269 4.155
40 HA LYS 6 HA LYS 6 -14.693 -15.523 1.336
41 1HB LYS 6 1HB LYS 6 -12.306 -14.200 2.243
42 2HB LYS 6 2HB LYS 6 -12.466 -14.762 0.718
43 1HG LYS 6 1HG LYS 6 -14.207 -13.214 0.310
44 2HG LYS 6 2HG LYS 6 -14.105 -12.675 1.848
45 1HD LYS 6 1HD LYS 6 -13.011 -11.064 0.704
46 2HD LYS 6 2HD LYS 6 -11.784 -11.997 1.246
47 1HE LYS 6 1HE LYS 6 -11.577 -12.996 -0.901
48 2HE LYS 6 2HE LYS 6 -12.831 -12.104 -1.448
49 1HZ LYS 6 1HZ LYS 6 -10.790 -11.115 -2.077
50 2HZ LYS 6 2HZ LYS 6 -10.349 -11.027 -0.507
51 3HZ LYS 6 3HZ LYS 6 -11.602 -10.136 -1.054
52 HA PRO 7 HA PRO 7 -12.860 -19.528 2.604
53 1HB PRO 7 1HB PRO 7 -13.661 -20.463 -0.017
54 2HB PRO 7 2HB PRO 7 -14.036 -21.156 1.414
55 1HG PRO 7 1HG PRO 7 -15.883 -19.889 0.131
56 2HG PRO 7 2HG PRO 7 -15.824 -19.750 1.757
57 1HD PRO 7 1HD PRO 7 -14.867 -17.846 -0.196
58 2HD PRO 7 2HD PRO 7 -15.677 -17.523 1.185
59 H ARG 8 H ARG 8 -10.911 -20.332 2.749
60 HA ARG 8 HA ARG 8 -8.977 -19.593 0.702
61 1HB ARG 8 1HB ARG 8 -8.621 -20.719 3.325
62 2HB ARG 8 2HB ARG 8 -7.377 -20.514 2.286
63 1HG ARG 8 1HG ARG 8 -7.674 -18.162 2.378
64 2HG ARG 8 2HG ARG 8 -8.939 -18.354 3.392
65 1HD ARG 8 1HD ARG 8 -7.234 -17.719 4.769
66 2HD ARG 8 2HD ARG 8 -7.310 -19.337 4.978
67 HE ARG 8 HE ARG 8 -5.478 -18.928 2.961
68 1HH1 ARG 8 1HH1 ARG 8 -5.620 -18.249 6.441
69 2HH1 ARG 8 2HH1 ARG 8 -3.894 -18.243 6.577
70 1HH2 ARG 8 1HH2 ARG 8 -3.307 -18.876 3.252
71 2HH2 ARG 8 2HH2 ARG 8 -2.618 -18.589 4.815
72 H ARG 9 H ARG 9 -9.332 -20.820 -1.162
73 HA ARG 9 HA ARG 9 -9.473 -23.710 -0.960
74 1HB ARG 9 1HB ARG 9 -9.982 -23.732 -3.201
75 2HB ARG 9 2HB ARG 9 -10.902 -22.593 -2.478
76 1HG ARG 9 1HG ARG 9 -9.607 -20.888 -3.468
77 2HG ARG 9 2HG ARG 9 -8.631 -22.006 -4.150
78 1HD ARG 9 1HD ARG 9 -9.963 -21.356 -5.877
79 2HD ARG 9 2HD ARG 9 -10.651 -22.754 -5.389
80 HE ARG 9 HE ARG 9 -11.886 -20.665 -4.018
81 1HH1 ARG 9 1HH1 ARG 9 -11.905 -22.064 -7.281
82 2HH1 ARG 9 2HH1 ARG 9 -13.470 -21.406 -7.624
83 1HH2 ARG 9 1HH2 ARG 9 -13.844 -19.858 -4.582
84 2HH2 ARG 9 2HH2 ARG 9 -14.538 -20.189 -6.134
85 HA PRO 10 HA PRO 10 -4.985 -24.053 -1.441
86 1HB PRO 10 1HB PRO 10 -4.667 -26.583 -0.784
87 2HB PRO 10 2HB PRO 10 -4.993 -25.497 0.392
88 1HG PRO 10 1HG PRO 10 -6.831 -27.331 -0.857
89 2HG PRO 10 2HG PRO 10 -6.735 -26.945 0.727
90 1HD PRO 10 1HD PRO 10 -8.537 -25.836 -0.867
91 2HD PRO 10 2HD PRO 10 -7.980 -25.067 0.462
92 H TYR 11 H TYR 11 -3.766 -24.013 -3.157
93 HA TYR 11 HA TYR 11 -4.852 -25.155 -5.549
94 1HB TYR 11 1HB TYR 11 -3.729 -22.945 -5.368
95 2HB TYR 11 2HB TYR 11 -2.316 -23.760 -5.289
96 HD1 TYR 11 HD1 TYR 11 -1.331 -24.771 -7.303
97 HD2 TYR 11 HD2 TYR 11 -4.944 -22.737 -7.510
98 HE1 TYR 11 HE1 TYR 11 -1.220 -24.810 -9.691
99 HE2 TYR 11 HE2 TYR 11 -4.815 -22.760 -9.898
100 HH TYR 11 HH TYR 11 -3.749 -23.341 -11.731
101 H ILE 12 H ILE 12 -2.032 -26.206 -3.720
102 HA ILE 12 HA ILE 12 -1.482 -28.173 -5.642
103 HB ILE 12 HB ILE 12 0.128 -29.081 -4.097
104 1HG1 ILE 12 1HG1 ILE 12 -0.193 -26.953 -2.230
105 2HG1 ILE 12 2HG1 ILE 12 -1.040 -28.338 -2.054
106 1HG2 ILE 12 1HG2 ILE 12 1.704 -27.235 -4.171
107 2HG2 ILE 12 2HG2 ILE 12 0.478 -26.248 -4.603
108 3HG2 ILE 12 3HG2 ILE 12 0.945 -27.454 -5.599
109 1HD1 ILE 12 1HD1 ILE 12 0.912 -28.397 -0.696
110 2HD1 ILE 12 2HD1 ILE 12 1.847 -28.174 -2.016
111 3HD1 ILE 12 3HD1 ILE 12 0.999 -29.559 -1.839
112 H LEU 13 H LEU 13 -3.860 -28.444 -3.273
113 HA LEU 13 HA LEU 13 -4.349 -31.205 -4.086
114 1HB LEU 13 1HB LEU 13 -3.143 -31.282 -1.987
115 2HB LEU 13 2HB LEU 13 -4.400 -30.497 -1.300
116 HG LEU 13 HG LEU 13 -5.766 -32.422 -2.003
117 1HD1 LEU 13 1HD1 LEU 13 -4.638 -34.520 -2.258
118 2HD1 LEU 13 2HD1 LEU 13 -3.204 -33.739 -2.238
119 3HD1 LEU 13 3HD1 LEU 13 -4.249 -33.495 -3.468
120 1HD2 LEU 13 1HD2 LEU 13 -5.203 -33.685 -0.023
121 2HD2 LEU 13 2HD2 LEU 13 -5.237 -32.085 0.301
122 3HD2 LEU 13 3HD2 LEU 13 -3.808 -32.846 0.097
123 HXT LEU 13 HXT LEU 13 -7.598 -30.102 -4.359
Start of MODEL 2
1 HN PCA 1 HN PCA 1 -13.611 1.748 7.150
2 HA PCA 1 HA PCA 1 -12.085 0.785 5.432
3 1HB PCA 1 1HB PCA 1 -11.019 -1.357 6.652
4 2HB PCA 1 2HB PCA 1 -10.305 0.106 6.785
5 1HG PCA 1 1HG PCA 1 -11.883 -1.248 8.753
6 2HG PCA 1 2HG PCA 1 -10.692 -0.161 9.008
7 H LEU 2 H LEU 2 -12.203 -1.224 4.106
8 HA LEU 2 HA LEU 2 -14.852 -2.155 3.887
9 1HB LEU 2 1HB LEU 2 -14.455 -0.521 2.105
10 2HB LEU 2 2HB LEU 2 -13.241 -1.485 1.588
11 HG LEU 2 HG LEU 2 -14.964 -3.212 1.282
12 1HD1 LEU 2 1HD1 LEU 2 -17.205 -2.465 0.884
13 2HD1 LEU 2 2HD1 LEU 2 -16.785 -0.969 1.387
14 3HD1 LEU 2 3HD1 LEU 2 -16.774 -2.218 2.439
15 1HD2 LEU 2 1HD2 LEU 2 -15.552 -2.378 -0.918
16 2HD2 LEU 2 2HD2 LEU 2 -13.970 -2.119 -0.608
17 3HD2 LEU 2 3HD2 LEU 2 -15.040 -0.892 -0.473
18 H TYR 3 H TYR 3 -14.647 -4.153 4.772
19 HA TYR 3 HA TYR 3 -12.231 -5.723 4.239
20 1HB TYR 3 1HB TYR 3 -13.180 -5.444 6.498
21 2HB TYR 3 2HB TYR 3 -14.411 -6.397 6.004
22 HD1 TYR 3 HD1 TYR 3 -14.086 -8.833 5.728
23 HD2 TYR 3 HD2 TYR 3 -10.970 -6.396 6.990
24 HE1 TYR 3 HE1 TYR 3 -12.835 -10.762 6.378
25 HE2 TYR 3 HE2 TYR 3 -9.729 -8.331 7.648
26 HH TYR 3 HH TYR 3 -9.593 -10.532 7.828
27 H GLU 4 H GLU 4 -12.064 -6.898 2.406
28 HA GLU 4 HA GLU 4 -14.462 -7.911 1.175
29 1HB GLU 4 1HB GLU 4 -13.157 -8.468 -0.675
30 2HB GLU 4 2HB GLU 4 -12.905 -6.912 -0.246
31 1HG GLU 4 1HG GLU 4 -10.773 -7.464 0.593
32 2HG GLU 4 2HG GLU 4 -11.026 -9.040 0.248
33 H ASN 5 H ASN 5 -15.431 -9.814 1.267
34 HA ASN 5 HA ASN 5 -14.128 -12.012 2.692
35 1HB ASN 5 1HB ASN 5 -16.394 -11.205 3.222
36 2HB ASN 5 2HB ASN 5 -16.867 -11.835 1.791
37 1HD2 ASN 5 1HD2 ASN 5 -16.012 -12.575 5.052
38 2HD2 ASN 5 2HD2 ASN 5 -16.450 -14.249 4.985
39 H LYS 6 H LYS 6 -12.902 -13.473 1.723
40 HA LYS 6 HA LYS 6 -13.739 -14.533 -0.868
41 1HB LYS 6 1HB LYS 6 -11.073 -13.598 -0.286
42 2HB LYS 6 2HB LYS 6 -11.389 -14.596 -1.540
43 1HG LYS 6 1HG LYS 6 -12.667 -12.913 -2.589
44 2HG LYS 6 2HG LYS 6 -12.434 -11.918 -1.315
45 1HD LYS 6 1HD LYS 6 -10.976 -11.111 -2.833
46 2HD LYS 6 2HD LYS 6 -10.024 -12.052 -1.897
47 1HE LYS 6 1HE LYS 6 -10.027 -13.743 -3.561
48 2HE LYS 6 2HE LYS 6 -11.031 -12.849 -4.488
49 1HZ LYS 6 1HZ LYS 6 -8.802 -12.582 -5.207
50 2HZ LYS 6 2HZ LYS 6 -8.385 -12.061 -3.717
51 3HZ LYS 6 3HZ LYS 6 -9.389 -11.167 -4.644
52 HA PRO 7 HA PRO 7 -12.850 -18.235 1.668
53 1HB PRO 7 1HB PRO 7 -13.689 -20.150 0.033
54 2HB PRO 7 2HB PRO 7 -14.789 -19.215 0.796
55 1HG PRO 7 1HG PRO 7 -13.855 -18.949 -1.925
56 2HG PRO 7 2HG PRO 7 -15.396 -18.844 -1.393
57 1HD PRO 7 1HD PRO 7 -13.991 -16.670 -1.854
58 2HD PRO 7 2HD PRO 7 -15.128 -16.689 -0.682
59 H ARG 8 H ARG 8 -11.285 -19.537 2.261
60 HA ARG 8 HA ARG 8 -8.952 -19.567 0.565
61 1HB ARG 8 1HB ARG 8 -9.352 -20.440 3.292
62 2HB ARG 8 2HB ARG 8 -7.924 -20.644 2.525
63 1HG ARG 8 1HG ARG 8 -7.647 -18.281 2.411
64 2HG ARG 8 2HG ARG 8 -9.075 -18.076 3.176
65 1HD ARG 8 1HD ARG 8 -8.160 -19.136 5.129
66 2HD ARG 8 2HD ARG 8 -6.725 -19.280 4.363
67 HE ARG 8 HE ARG 8 -7.903 -16.781 5.278
68 1HH1 ARG 8 1HH1 ARG 8 -4.976 -18.369 4.048
69 2HH1 ARG 8 2HH1 ARG 8 -4.004 -16.979 4.399
70 1HH2 ARG 8 1HH2 ARG 8 -6.581 -15.098 5.670
71 2HH2 ARG 8 2HH2 ARG 8 -4.892 -15.173 5.294
72 H ARG 9 H ARG 9 -8.448 -21.096 -0.926
73 HA ARG 9 HA ARG 9 -9.082 -23.896 -0.356
74 1HB ARG 9 1HB ARG 9 -9.822 -24.353 -2.481
75 2HB ARG 9 2HB ARG 9 -10.770 -23.207 -1.808
76 1HG ARG 9 1HG ARG 9 -9.784 -21.564 -3.198
77 2HG ARG 9 2HG ARG 9 -8.816 -22.700 -3.861
78 1HD ARG 9 1HD ARG 9 -11.672 -22.850 -4.138
79 2HD ARG 9 2HD ARG 9 -10.764 -22.011 -5.206
80 HE ARG 9 HE ARG 9 -9.760 -24.627 -4.995
81 1HH1 ARG 9 1HH1 ARG 9 -12.467 -22.902 -6.517
82 2HH1 ARG 9 2HH1 ARG 9 -12.638 -24.112 -7.745
83 1HH2 ARG 9 1HH2 ARG 9 -10.067 -26.088 -6.611
84 2HH2 ARG 9 2HH2 ARG 9 -11.312 -25.868 -7.795
85 HA PRO 10 HA PRO 10 -4.647 -23.989 -1.388
86 1HB PRO 10 1HB PRO 10 -4.767 -26.790 -0.722
87 2HB PRO 10 2HB PRO 10 -3.760 -25.680 -0.075
88 1HG PRO 10 1HG PRO 10 -5.699 -26.578 1.370
89 2HG PRO 10 2HG PRO 10 -5.323 -24.992 1.468
90 1HD PRO 10 1HD PRO 10 -7.485 -26.180 -0.048
91 2HD PRO 10 2HD PRO 10 -7.554 -24.837 0.879
92 H TYR 11 H TYR 11 -3.676 -23.923 -3.273
93 HA TYR 11 HA TYR 11 -4.983 -25.244 -5.440
94 1HB TYR 11 1HB TYR 11 -3.908 -22.955 -5.428
95 2HB TYR 11 2HB TYR 11 -2.496 -23.748 -5.643
96 HD1 TYR 11 HD1 TYR 11 -5.544 -22.775 -7.270
97 HD2 TYR 11 HD2 TYR 11 -1.909 -24.700 -7.835
98 HE1 TYR 11 HE1 TYR 11 -5.914 -22.790 -9.631
99 HE2 TYR 11 HE2 TYR 11 -2.299 -24.735 -10.194
100 HH TYR 11 HH TYR 11 -3.599 -24.227 -11.916
101 H ILE 12 H ILE 12 -2.240 -26.381 -3.712
102 HA ILE 12 HA ILE 12 -1.508 -28.200 -5.802
103 HB ILE 12 HB ILE 12 0.005 -27.174 -4.145
104 1HG1 ILE 12 1HG1 ILE 12 0.579 -29.984 -4.401
105 2HG1 ILE 12 2HG1 ILE 12 0.651 -28.993 -5.697
106 1HG2 ILE 12 1HG2 ILE 12 0.483 -28.349 -2.112
107 2HG2 ILE 12 2HG2 ILE 12 -0.819 -29.297 -2.381
108 3HG2 ILE 12 3HG2 ILE 12 -1.015 -27.699 -2.111
109 1HD1 ILE 12 1HD1 ILE 12 2.829 -29.369 -4.836
110 2HD1 ILE 12 2HD1 ILE 12 2.367 -28.782 -3.384
111 3HD1 ILE 12 3HD1 ILE 12 2.439 -27.791 -4.680
112 H LEU 13 H LEU 13 -4.086 -28.651 -3.753
113 HA LEU 13 HA LEU 13 -4.371 -31.353 -4.838
114 1HB LEU 13 1HB LEU 13 -3.536 -31.517 -2.566
115 2HB LEU 13 2HB LEU 13 -4.922 -30.811 -2.068
116 HG LEU 13 HG LEU 13 -6.065 -32.738 -3.084
117 1HD1 LEU 13 1HD1 LEU 13 -4.833 -34.792 -3.215
118 2HD1 LEU 13 2HD1 LEU 13 -3.454 -33.970 -2.916
119 3HD1 LEU 13 3HD1 LEU 13 -4.280 -33.704 -4.300
120 1HD2 LEU 13 1HD2 LEU 13 -5.793 -34.082 -1.085
121 2HD2 LEU 13 2HD2 LEU 13 -5.948 -32.502 -0.704
122 3HD2 LEU 13 3HD2 LEU 13 -4.473 -33.203 -0.695
123 HXT LEU 13 HXT LEU 13 -7.552 -30.368 -5.628
Start of MODEL 3
1 HN PCA 1 HN PCA 1 -17.005 2.744 3.469
2 HA PCA 1 HA PCA 1 -14.781 1.617 3.463
3 1HB PCA 1 1HB PCA 1 -14.391 1.420 5.754
4 2HB PCA 1 2HB PCA 1 -14.936 -0.102 5.522
5 1HG PCA 1 1HG PCA 1 -16.959 0.365 6.449
6 2HG PCA 1 2HG PCA 1 -16.167 1.605 7.158
7 H LEU 2 H LEU 2 -14.111 -0.621 2.865
8 HA LEU 2 HA LEU 2 -16.003 -1.834 1.171
9 1HB LEU 2 1HB LEU 2 -14.433 -0.556 -0.212
10 2HB LEU 2 2HB LEU 2 -13.240 -1.478 0.416
11 HG LEU 2 HG LEU 2 -14.427 -3.392 -0.561
12 1HD1 LEU 2 1HD1 LEU 2 -15.799 -2.973 -2.480
13 2HD1 LEU 2 2HD1 LEU 2 -15.736 -1.373 -2.163
14 3HD1 LEU 2 3HD1 LEU 2 -16.491 -2.382 -1.124
15 1HD2 LEU 2 1HD2 LEU 2 -13.373 -3.078 -2.724
16 2HD2 LEU 2 2HD2 LEU 2 -12.375 -2.606 -1.522
17 3HD2 LEU 2 3HD2 LEU 2 -13.195 -1.490 -2.387
18 H TYR 3 H TYR 3 -16.535 -3.632 2.275
19 HA TYR 3 HA TYR 3 -14.371 -5.209 3.523
20 1HB TYR 3 1HB TYR 3 -15.875 -4.090 5.096
21 2HB TYR 3 2HB TYR 3 -17.069 -5.042 4.517
22 HD1 TYR 3 HD1 TYR 3 -14.148 -5.007 6.592
23 HD2 TYR 3 HD2 TYR 3 -17.188 -7.428 5.132
24 HE1 TYR 3 HE1 TYR 3 -13.585 -6.689 8.196
25 HE2 TYR 3 HE2 TYR 3 -16.615 -9.108 6.733
26 HH TYR 3 HH TYR 3 -15.336 -9.775 8.419
27 H GLU 4 H GLU 4 -13.873 -6.961 2.356
28 HA GLU 4 HA GLU 4 -16.050 -8.613 1.336
29 1HB GLU 4 1HB GLU 4 -13.790 -7.765 -0.228
30 2HB GLU 4 2HB GLU 4 -14.663 -9.084 -0.636
31 1HG GLU 4 1HG GLU 4 -16.568 -7.716 -1.011
32 2HG GLU 4 2HG GLU 4 -15.708 -6.394 -0.584
33 H ASN 5 H ASN 5 -15.916 -10.716 2.094
34 HA ASN 5 HA ASN 5 -13.396 -11.715 3.193
35 1HB ASN 5 1HB ASN 5 -15.580 -11.907 4.324
36 2HB ASN 5 2HB ASN 5 -15.968 -13.018 3.192
37 1HD2 ASN 5 1HD2 ASN 5 -14.131 -12.436 6.060
38 2HD2 ASN 5 2HD2 ASN 5 -13.667 -14.084 6.321
39 H LYS 6 H LYS 6 -11.847 -12.573 1.963
40 HA LYS 6 HA LYS 6 -12.515 -13.923 -0.495
41 1HB LYS 6 1HB LYS 6 -9.955 -13.413 0.761
42 2HB LYS 6 2HB LYS 6 -10.092 -14.175 -0.678
43 1HG LYS 6 1HG LYS 6 -10.953 -11.459 -0.362
44 2HG LYS 6 2HG LYS 6 -9.400 -11.813 -0.724
45 1HD LYS 6 1HD LYS 6 -11.550 -12.617 -2.444
46 2HD LYS 6 2HD LYS 6 -10.843 -11.152 -2.599
47 1HE LYS 6 1HE LYS 6 -9.320 -13.571 -2.901
48 2HE LYS 6 2HE LYS 6 -10.090 -12.890 -4.170
49 1HZ LYS 6 1HZ LYS 6 -7.842 -12.237 -4.134
50 2HZ LYS 6 2HZ LYS 6 -8.039 -11.623 -2.634
51 3HZ LYS 6 3HZ LYS 6 -8.809 -10.942 -3.903
52 HA PRO 7 HA PRO 7 -12.535 -17.930 1.675
53 1HB PRO 7 1HB PRO 7 -13.322 -19.524 -0.301
54 2HB PRO 7 2HB PRO 7 -14.411 -18.526 0.395
55 1HG PRO 7 1HG PRO 7 -12.995 -18.109 -2.089
56 2HG PRO 7 2HG PRO 7 -14.580 -17.845 -1.798
57 1HD PRO 7 1HD PRO 7 -12.865 -15.854 -1.750
58 2HD PRO 7 2HD PRO 7 -14.180 -15.838 -0.782
59 H ARG 8 H ARG 8 -11.260 -19.502 2.316
60 HA ARG 8 HA ARG 8 -8.699 -19.685 0.999
61 1HB ARG 8 1HB ARG 8 -9.665 -20.794 3.486
62 2HB ARG 8 2HB ARG 8 -8.167 -21.121 2.923
63 1HG ARG 8 1HG ARG 8 -7.569 -18.829 3.171
64 2HG ARG 8 2HG ARG 8 -9.069 -18.494 3.722
65 1HD ARG 8 1HD ARG 8 -8.674 -19.802 5.663
66 2HD ARG 8 2HD ARG 8 -7.197 -20.218 5.102
67 HE ARG 8 HE ARG 8 -6.371 -18.032 5.499
68 1HH1 ARG 8 1HH1 ARG 8 -9.658 -18.463 6.771
69 2HH1 ARG 8 2HH1 ARG 8 -9.519 -17.056 7.772
70 1HH2 ARG 8 1HH2 ARG 8 -6.317 -16.285 6.798
71 2HH2 ARG 8 2HH2 ARG 8 -7.674 -15.855 7.786
72 H ARG 9 H ARG 9 -8.229 -21.034 -0.660
73 HA ARG 9 HA ARG 9 -9.197 -23.792 -0.570
74 1HB ARG 9 1HB ARG 9 -9.859 -23.855 -2.764
75 2HB ARG 9 2HB ARG 9 -10.731 -22.728 -1.965
76 1HG ARG 9 1HG ARG 9 -9.546 -21.007 -3.066
77 2HG ARG 9 2HG ARG 9 -8.627 -22.115 -3.836
78 1HD ARG 9 1HD ARG 9 -10.135 -21.482 -5.427
79 2HD ARG 9 2HD ARG 9 -10.746 -22.893 -4.876
80 HE ARG 9 HE ARG 9 -11.816 -20.714 -3.433
81 1HH1 ARG 9 1HH1 ARG 9 -12.365 -22.591 -6.392
82 2HH1 ARG 9 2HH1 ARG 9 -13.986 -22.001 -6.543
83 1HH2 ARG 9 1HH2 ARG 9 -13.853 -19.987 -3.762
84 2HH2 ARG 9 2HH2 ARG 9 -14.807 -20.562 -5.089
85 HA PRO 10 HA PRO 10 -4.736 -24.138 -1.440
86 1HB PRO 10 1HB PRO 10 -4.340 -26.658 -0.787
87 2HB PRO 10 2HB PRO 10 -4.571 -25.563 0.403
88 1HG PRO 10 1HG PRO 10 -6.502 -27.419 -0.668
89 2HG PRO 10 2HG PRO 10 -6.266 -27.028 0.900
90 1HD PRO 10 1HD PRO 10 -8.211 -25.930 -0.522
91 2HD PRO 10 2HD PRO 10 -7.531 -25.147 0.740
92 H TYR 11 H TYR 11 -3.759 -24.028 -3.294
93 HA TYR 11 HA TYR 11 -4.998 -25.308 -5.534
94 1HB TYR 11 1HB TYR 11 -3.976 -23.028 -5.497
95 2HB TYR 11 2HB TYR 11 -2.527 -23.777 -5.580
96 HD1 TYR 11 HD1 TYR 11 -5.442 -22.901 -7.478
97 HD2 TYR 11 HD2 TYR 11 -1.741 -24.770 -7.690
98 HE1 TYR 11 HE1 TYR 11 -5.597 -22.945 -9.865
99 HE2 TYR 11 HE2 TYR 11 -1.912 -24.832 -10.073
100 HH TYR 11 HH TYR 11 -3.032 -24.360 -11.903
101 H ILE 12 H ILE 12 -2.033 -26.206 -3.895
102 HA ILE 12 HA ILE 12 -1.467 -28.146 -5.849
103 HB ILE 12 HB ILE 12 0.201 -28.981 -4.359
104 1HG1 ILE 12 1HG1 ILE 12 0.992 -27.555 -2.511
105 2HG1 ILE 12 2HG1 ILE 12 -0.534 -26.975 -2.481
106 1HG2 ILE 12 1HG2 ILE 12 1.723 -27.030 -4.574
107 2HG2 ILE 12 2HG2 ILE 12 0.419 -26.120 -4.946
108 3HG2 ILE 12 3HG2 ILE 12 0.893 -27.317 -5.951
109 1HD1 ILE 12 1HD1 ILE 12 -0.266 -28.653 -0.829
110 2HD1 ILE 12 2HD1 ILE 12 0.177 -29.727 -1.977
111 3HD1 ILE 12 3HD1 ILE 12 -1.349 -29.146 -1.947
112 H LEU 13 H LEU 13 -3.737 -28.540 -3.407
113 HA LEU 13 HA LEU 13 -4.173 -31.304 -4.240
114 1HB LEU 13 1HB LEU 13 -2.780 -31.331 -2.232
115 2HB LEU 13 2HB LEU 13 -4.093 -30.771 -1.439
116 HG LEU 13 HG LEU 13 -4.199 -33.229 -2.868
117 1HD1 LEU 13 1HD1 LEU 13 -3.684 -34.417 -0.798
118 2HD1 LEU 13 2HD1 LEU 13 -3.401 -32.982 -0.073
119 3HD1 LEU 13 3HD1 LEU 13 -2.420 -33.499 -1.271
120 1HD2 LEU 13 1HD2 LEU 13 -5.963 -33.847 -1.367
121 2HD2 LEU 13 2HD2 LEU 13 -6.327 -32.482 -2.186
122 3HD2 LEU 13 3HD2 LEU 13 -5.827 -32.394 -0.634
123 HXT LEU 13 HXT LEU 13 -7.454 -30.262 -4.229
Start of MODEL 4
1 HN PCA 1 HN PCA 1 -25.146 -14.755 17.134
2 HA PCA 1 HA PCA 1 -22.952 -15.892 16.774
3 1HB PCA 1 1HB PCA 1 -23.652 -18.046 16.234
4 2HB PCA 1 2HB PCA 1 -23.427 -17.532 14.700
5 1HG PCA 1 1HG PCA 1 -25.658 -17.302 14.336
6 2HG PCA 1 2HG PCA 1 -25.811 -18.330 15.596
7 H LEU 2 H LEU 2 -21.258 -15.472 15.204
8 HA LEU 2 HA LEU 2 -21.666 -13.149 13.667
9 1HB LEU 2 1HB LEU 2 -20.513 -12.485 15.715
10 2HB LEU 2 2HB LEU 2 -19.318 -13.517 15.297
11 HG LEU 2 HG LEU 2 -19.056 -12.155 13.276
12 1HD1 LEU 2 1HD1 LEU 2 -19.749 -9.865 13.386
13 2HD1 LEU 2 2HD1 LEU 2 -20.560 -10.187 14.765
14 3HD1 LEU 2 3HD1 LEU 2 -21.038 -10.866 13.359
15 1HD2 LEU 2 1HD2 LEU 2 -17.636 -10.545 14.408
16 2HD2 LEU 2 2HD2 LEU 2 -17.441 -12.035 15.047
17 3HD2 LEU 2 3HD2 LEU 2 -18.359 -10.928 15.822
18 H TYR 3 H TYR 3 -21.980 -14.330 11.807
19 HA TYR 3 HA TYR 3 -19.971 -16.331 11.062
20 1HB TYR 3 1HB TYR 3 -22.388 -16.779 10.933
21 2HB TYR 3 2HB TYR 3 -22.440 -15.708 9.701
22 HD1 TYR 3 HD1 TYR 3 -21.428 -19.029 10.602
23 HD2 TYR 3 HD2 TYR 3 -21.585 -16.306 7.473
24 HE1 TYR 3 HE1 TYR 3 -20.961 -20.784 9.046
25 HE2 TYR 3 HE2 TYR 3 -21.134 -18.069 5.925
26 HH TYR 3 HH TYR 3 -20.725 -20.182 5.533
27 H GLU 4 H GLU 4 -18.129 -15.682 10.152
28 HA GLU 4 HA GLU 4 -18.213 -13.474 8.225
29 1HB GLU 4 1HB GLU 4 -16.065 -14.403 9.909
30 2HB GLU 4 2HB GLU 4 -15.791 -13.379 8.666
31 1HG GLU 4 1HG GLU 4 -17.520 -12.662 10.850
32 2HG GLU 4 2HG GLU 4 -15.918 -12.351 10.891
33 H ASN 5 H ASN 5 -18.101 -13.938 6.073
34 HA ASN 5 HA ASN 5 -17.115 -16.523 5.235
35 1HB ASN 5 1HB ASN 5 -18.487 -14.440 3.780
36 2HB ASN 5 2HB ASN 5 -17.906 -15.767 3.025
37 1HD2 ASN 5 1HD2 ASN 5 -20.486 -14.508 4.912
38 2HD2 ASN 5 2HD2 ASN 5 -21.471 -15.932 4.855
39 H LYS 6 H LYS 6 -15.035 -16.947 4.651
40 HA LYS 6 HA LYS 6 -13.500 -14.896 3.237
41 1HB LYS 6 1HB LYS 6 -12.517 -16.339 5.526
42 2HB LYS 6 2HB LYS 6 -11.532 -15.538 4.498
43 1HG LYS 6 1HG LYS 6 -13.525 -14.147 6.019
44 2HG LYS 6 2HG LYS 6 -12.043 -14.439 6.640
45 1HD LYS 6 1HD LYS 6 -12.317 -12.926 4.221
46 2HD LYS 6 2HD LYS 6 -12.458 -12.191 5.673
47 1HE LYS 6 1HE LYS 6 -10.211 -12.844 6.201
48 2HE LYS 6 2HE LYS 6 -10.074 -13.523 4.721
49 1HZ LYS 6 1HZ LYS 6 -9.107 -11.383 4.730
50 2HZ LYS 6 2HZ LYS 6 -10.530 -10.739 5.205
51 3HZ LYS 6 3HZ LYS 6 -10.393 -11.418 3.726
52 HA PRO 7 HA PRO 7 -13.025 -18.858 0.914
53 1HB PRO 7 1HB PRO 7 -12.349 -17.927 -1.457
54 2HB PRO 7 2HB PRO 7 -13.903 -17.813 -0.969
55 1HG PRO 7 1HG PRO 7 -11.902 -15.735 -0.937
56 2HG PRO 7 2HG PRO 7 -13.467 -15.598 -1.386
57 1HD PRO 7 1HD PRO 7 -12.673 -14.855 1.017
58 2HD PRO 7 2HD PRO 7 -14.189 -15.407 0.765
59 H ARG 8 H ARG 8 -11.627 -20.250 1.508
60 HA ARG 8 HA ARG 8 -8.782 -19.771 0.906
61 1HB ARG 8 1HB ARG 8 -9.275 -19.276 3.242
62 2HB ARG 8 2HB ARG 8 -9.653 -20.855 3.421
63 1HG ARG 8 1HG ARG 8 -7.396 -21.437 2.863
64 2HG ARG 8 2HG ARG 8 -7.029 -19.850 2.747
65 1HD ARG 8 1HD ARG 8 -7.506 -19.593 5.089
66 2HD ARG 8 2HD ARG 8 -7.799 -21.196 5.189
67 HE ARG 8 HE ARG 8 -5.191 -19.987 4.737
68 1HH1 ARG 8 1HH1 ARG 8 -6.941 -22.968 5.536
69 2HH1 ARG 8 2HH1 ARG 8 -5.473 -23.786 5.955
70 1HH2 ARG 8 1HH2 ARG 8 -3.418 -21.112 5.300
71 2HH2 ARG 8 2HH2 ARG 8 -3.527 -22.759 5.824
72 H ARG 9 H ARG 9 -8.452 -21.137 -0.799
73 HA ARG 9 HA ARG 9 -9.064 -24.008 -0.460
74 1HB ARG 9 1HB ARG 9 -10.779 -22.885 -1.777
75 2HB ARG 9 2HB ARG 9 -9.622 -22.601 -2.894
76 1HG ARG 9 1HG ARG 9 -10.258 -25.294 -2.158
77 2HG ARG 9 2HG ARG 9 -11.172 -24.516 -3.265
78 1HD ARG 9 1HD ARG 9 -9.293 -24.341 -4.708
79 2HD ARG 9 2HD ARG 9 -8.361 -25.092 -3.597
80 HE ARG 9 HE ARG 9 -9.403 -27.160 -4.026
81 1HH1 ARG 9 1HH1 ARG 9 -10.622 -24.636 -6.207
82 2HH1 ARG 9 2HH1 ARG 9 -11.299 -25.812 -7.283
83 1HH2 ARG 9 1HH2 ARG 9 -10.287 -28.539 -5.450
84 2HH2 ARG 9 2HH2 ARG 9 -11.113 -27.971 -6.863
85 HA PRO 10 HA PRO 10 -4.662 -23.678 -1.655
86 1HB PRO 10 1HB PRO 10 -4.493 -26.420 -0.773
87 2HB PRO 10 2HB PRO 10 -3.551 -25.182 -0.278
88 1HG PRO 10 1HG PRO 10 -5.313 -26.117 1.358
89 2HG PRO 10 2HG PRO 10 -5.081 -24.501 1.306
90 1HD PRO 10 1HD PRO 10 -7.202 -26.000 0.020
91 2HD PRO 10 2HD PRO 10 -7.349 -24.600 0.847
92 H TYR 11 H TYR 11 -3.588 -23.828 -3.488
93 HA TYR 11 HA TYR 11 -4.908 -25.318 -5.524
94 1HB TYR 11 1HB TYR 11 -2.732 -23.402 -5.564
95 2HB TYR 11 2HB TYR 11 -3.054 -24.242 -6.928
96 HD1 TYR 11 HD1 TYR 11 -5.100 -23.795 -8.228
97 HD2 TYR 11 HD2 TYR 11 -4.215 -21.570 -4.838
98 HE1 TYR 11 HE1 TYR 11 -6.761 -22.191 -8.847
99 HE2 TYR 11 HE2 TYR 11 -5.889 -19.978 -5.453
100 HH TYR 11 HH TYR 11 -7.439 -19.306 -6.862
101 H ILE 12 H ILE 12 -2.115 -26.267 -3.756
102 HA ILE 12 HA ILE 12 -1.507 -28.333 -5.566
103 HB ILE 12 HB ILE 12 -0.280 -29.347 -3.797
104 1HG1 ILE 12 1HG1 ILE 12 0.437 -28.008 -1.885
105 2HG1 ILE 12 2HG1 ILE 12 -0.910 -27.119 -2.136
106 1HG2 ILE 12 1HG2 ILE 12 1.545 -27.645 -3.820
107 2HG2 ILE 12 2HG2 ILE 12 0.468 -26.576 -4.422
108 3HG2 ILE 12 3HG2 ILE 12 0.908 -27.877 -5.305
109 1HD1 ILE 12 1HD1 ILE 12 -1.282 -28.697 -0.408
110 2HD1 ILE 12 2HD1 ILE 12 -0.907 -29.917 -1.426
111 3HD1 ILE 12 3HD1 ILE 12 -2.254 -29.028 -1.677
112 H LEU 13 H LEU 13 -4.127 -28.335 -3.395
113 HA LEU 13 HA LEU 13 -5.100 -30.781 -4.544
114 1HB LEU 13 1HB LEU 13 -3.734 -31.605 -2.735
115 2HB LEU 13 2HB LEU 13 -4.749 -30.851 -1.701
116 HG LEU 13 HG LEU 13 -6.513 -32.266 -2.677
117 1HD1 LEU 13 1HD1 LEU 13 -5.828 -34.374 -3.595
118 2HD1 LEU 13 2HD1 LEU 13 -4.276 -33.866 -3.573
119 3HD1 LEU 13 3HD1 LEU 13 -5.360 -33.137 -4.553
120 1HD2 LEU 13 1HD2 LEU 13 -6.025 -34.097 -1.173
121 2HD2 LEU 13 2HD2 LEU 13 -5.728 -32.661 -0.454
122 3HD2 LEU 13 3HD2 LEU 13 -4.491 -33.555 -1.036
123 HXT LEU 13 HXT LEU 13 -7.513 -28.549 -2.360
Start of MODEL 5
1 HN PCA 1 HN PCA 1 -15.145 0.484 9.695
2 HA PCA 1 HA PCA 1 -12.730 0.282 8.668
3 1HB PCA 1 1HB PCA 1 -12.543 -2.014 10.418
4 2HB PCA 1 2HB PCA 1 -11.341 -0.973 10.045
5 1HG PCA 1 1HG PCA 1 -12.562 -0.859 12.392
6 2HG PCA 1 2HG PCA 1 -11.934 0.485 11.708
7 H LEU 2 H LEU 2 -12.367 -0.974 6.848
8 HA LEU 2 HA LEU 2 -14.561 -2.413 5.887
9 1HB LEU 2 1HB LEU 2 -13.105 -0.480 4.312
10 2HB LEU 2 2HB LEU 2 -13.996 -1.671 3.639
11 HG LEU 2 HG LEU 2 -15.200 0.324 5.296
12 1HD1 LEU 2 1HD1 LEU 2 -15.806 1.544 3.289
13 2HD1 LEU 2 2HD1 LEU 2 -14.922 0.494 2.405
14 3HD1 LEU 2 3HD1 LEU 2 -14.184 1.493 3.465
15 1HD2 LEU 2 1HD2 LEU 2 -17.239 -0.234 4.171
16 2HD2 LEU 2 2HD2 LEU 2 -16.604 -1.541 4.915
17 3HD2 LEU 2 3HD2 LEU 2 -16.439 -1.360 3.301
18 H TYR 3 H TYR 3 -13.885 -4.499 5.790
19 HA TYR 3 HA TYR 3 -11.176 -5.072 4.846
20 1HB TYR 3 1HB TYR 3 -10.781 -6.679 6.448
21 2HB TYR 3 2HB TYR 3 -11.047 -5.240 7.172
22 HD1 TYR 3 HD1 TYR 3 -12.314 -8.571 6.805
23 HD2 TYR 3 HD2 TYR 3 -12.930 -4.932 8.706
24 HE1 TYR 3 HE1 TYR 3 -13.960 -9.582 8.213
25 HE2 TYR 3 HE2 TYR 3 -14.561 -5.956 10.126
26 HH TYR 3 HH TYR 3 -15.709 -7.759 10.714
27 H GLU 4 H GLU 4 -11.092 -6.344 3.068
28 HA GLU 4 HA GLU 4 -13.402 -7.948 2.382
29 1HB GLU 4 1HB GLU 4 -11.024 -7.302 0.885
30 2HB GLU 4 2HB GLU 4 -12.135 -8.357 0.319
31 1HG GLU 4 1HG GLU 4 -13.744 -6.607 0.208
32 2HG GLU 4 2HG GLU 4 -12.636 -5.551 0.777
33 H ASN 5 H ASN 5 -13.669 -10.088 2.841
34 HA ASN 5 HA ASN 5 -11.393 -11.687 3.745
35 1HB ASN 5 1HB ASN 5 -13.570 -11.601 4.897
36 2HB ASN 5 2HB ASN 5 -14.172 -12.449 3.638
37 1HD2 ASN 5 1HD2 ASN 5 -12.231 -12.635 6.493
38 2HD2 ASN 5 2HD2 ASN 5 -12.114 -14.363 6.525
39 H LYS 6 H LYS 6 -10.024 -12.602 2.343
40 HA LYS 6 HA LYS 6 -10.980 -13.504 -0.221
41 1HB LYS 6 1HB LYS 6 -8.750 -13.909 -0.767
42 2HB LYS 6 2HB LYS 6 -8.881 -12.419 -0.110
43 1HG LYS 6 1HG LYS 6 -7.903 -13.229 1.901
44 2HG LYS 6 2HG LYS 6 -7.754 -14.709 1.226
45 1HD LYS 6 1HD LYS 6 -6.413 -12.460 0.054
46 2HD LYS 6 2HD LYS 6 -5.726 -13.260 1.301
47 1HE LYS 6 1HE LYS 6 -5.691 -15.259 -0.027
48 2HE LYS 6 2HE LYS 6 -6.319 -14.420 -1.280
49 1HZ LYS 6 1HZ LYS 6 -3.986 -14.603 -1.508
50 2HZ LYS 6 2HZ LYS 6 -3.786 -13.879 -0.059
51 3HZ LYS 6 3HZ LYS 6 -4.414 -13.040 -1.311
52 HA PRO 7 HA PRO 7 -11.941 -17.653 1.098
53 1HB PRO 7 1HB PRO 7 -11.833 -18.352 -1.727
54 2HB PRO 7 2HB PRO 7 -13.072 -18.654 -0.706
55 1HG PRO 7 1HG PRO 7 -13.343 -16.763 -2.433
56 2HG PRO 7 2HG PRO 7 -13.921 -16.523 -0.925
57 1HD PRO 7 1HD PRO 7 -11.466 -15.497 -2.042
58 2HD PRO 7 2HD PRO 7 -12.502 -14.722 -1.044
59 H ARG 8 H ARG 8 -11.036 -19.359 1.964
60 HA ARG 8 HA ARG 8 -8.290 -19.921 1.205
61 1HB ARG 8 1HB ARG 8 -9.848 -20.791 3.461
62 2HB ARG 8 2HB ARG 8 -8.348 -21.368 3.169
63 1HG ARG 8 1HG ARG 8 -7.434 -19.209 3.525
64 2HG ARG 8 2HG ARG 8 -8.931 -18.606 3.777
65 1HD ARG 8 1HD ARG 8 -8.067 -18.826 5.884
66 2HD ARG 8 2HD ARG 8 -9.042 -20.127 5.729
67 HE ARG 8 HE ARG 8 -6.401 -20.760 4.949
68 1HH1 ARG 8 1HH1 ARG 8 -8.440 -20.576 7.844
69 2HH1 ARG 8 2HH1 ARG 8 -7.359 -21.584 8.747
70 1HH2 ARG 8 1HH2 ARG 8 -5.091 -21.983 6.198
71 2HH2 ARG 8 2HH2 ARG 8 -5.509 -22.361 7.836
72 H ARG 9 H ARG 9 -8.227 -20.959 -0.760
73 HA ARG 9 HA ARG 9 -9.463 -23.644 -0.959
74 1HB ARG 9 1HB ARG 9 -10.503 -21.929 -2.355
75 2HB ARG 9 2HB ARG 9 -9.076 -21.799 -3.139
76 1HG ARG 9 1HG ARG 9 -9.297 -24.056 -3.889
77 2HG ARG 9 2HG ARG 9 -10.739 -24.159 -3.129
78 1HD ARG 9 1HD ARG 9 -11.323 -23.818 -5.306
79 2HD ARG 9 2HD ARG 9 -11.467 -22.329 -4.652
80 HE ARG 9 HE ARG 9 -8.879 -22.559 -5.647
81 1HH1 ARG 9 1HH1 ARG 9 -12.159 -22.146 -6.937
82 2HH1 ARG 9 2HH1 ARG 9 -11.563 -21.466 -8.413
83 1HH2 ARG 9 1HH2 ARG 9 -8.244 -21.713 -7.565
84 2HH2 ARG 9 2HH2 ARG 9 -9.401 -21.228 -8.759
85 HA PRO 10 HA PRO 10 -4.949 -24.413 -1.239
86 1HB PRO 10 1HB PRO 10 -5.638 -27.170 -0.825
87 2HB PRO 10 2HB PRO 10 -4.571 -26.287 0.041
88 1HG PRO 10 1HG PRO 10 -6.829 -26.910 1.127
89 2HG PRO 10 2HG PRO 10 -6.215 -25.421 1.400
90 1HD PRO 10 1HD PRO 10 -8.289 -26.132 -0.494
91 2HD PRO 10 2HD PRO 10 -8.275 -24.848 0.516
92 H TYR 11 H TYR 11 -3.968 -24.109 -3.078
93 HA TYR 11 HA TYR 11 -5.098 -25.304 -5.421
94 1HB TYR 11 1HB TYR 11 -4.164 -22.996 -5.251
95 2HB TYR 11 2HB TYR 11 -2.688 -23.688 -5.338
96 HD1 TYR 11 HD1 TYR 11 -1.826 -24.551 -7.479
97 HD2 TYR 11 HD2 TYR 11 -5.608 -22.856 -7.252
98 HE1 TYR 11 HE1 TYR 11 -1.969 -24.539 -9.864
99 HE2 TYR 11 HE2 TYR 11 -5.736 -22.827 -9.639
100 HH TYR 11 HH TYR 11 -4.801 -23.283 -11.602
101 H ILE 12 H ILE 12 -2.137 -26.145 -3.740
102 HA ILE 12 HA ILE 12 -1.419 -27.996 -5.805
103 HB ILE 12 HB ILE 12 0.143 -26.721 -4.416
104 1HG1 ILE 12 1HG1 ILE 12 0.979 -29.474 -4.553
105 2HG1 ILE 12 2HG1 ILE 12 0.787 -28.591 -5.914
106 1HG2 ILE 12 1HG2 ILE 12 0.985 -27.677 -2.389
107 2HG2 ILE 12 2HG2 ILE 12 -0.232 -28.765 -2.423
108 3HG2 ILE 12 3HG2 ILE 12 -0.562 -27.176 -2.242
109 1HD1 ILE 12 1HD1 ILE 12 3.081 -28.681 -5.315
110 2HD1 ILE 12 2HD1 ILE 12 2.739 -28.025 -3.860
111 3HD1 ILE 12 3HD1 ILE 12 2.547 -27.142 -5.220
112 H LEU 13 H LEU 13 -3.554 -28.610 -3.267
113 HA LEU 13 HA LEU 13 -3.812 -31.304 -4.314
114 1HB LEU 13 1HB LEU 13 -3.586 -30.791 -1.496
115 2HB LEU 13 2HB LEU 13 -4.212 -32.180 -2.085
116 HG LEU 13 HG LEU 13 -1.515 -31.413 -2.647
117 1HD1 LEU 13 1HD1 LEU 13 -0.785 -32.820 -0.826
118 2HD1 LEU 13 2HD1 LEU 13 -2.344 -33.052 -0.400
119 3HD1 LEU 13 3HD1 LEU 13 -1.675 -31.569 -0.271
120 1HD2 LEU 13 1HD2 LEU 13 -1.140 -33.735 -3.078
121 2HD2 LEU 13 2HD2 LEU 13 -2.303 -33.136 -4.056
122 3HD2 LEU 13 3HD2 LEU 13 -2.713 -34.038 -2.758
123 HXT LEU 13 HXT LEU 13 -7.222 -30.589 -4.172
Start of MODEL 6
1 HN PCA 1 HN PCA 1 -13.137 2.338 6.971
2 HA PCA 1 HA PCA 1 -11.084 1.465 5.857
3 1HB PCA 1 1HB PCA 1 -10.421 -0.677 7.339
4 2HB PCA 1 2HB PCA 1 -9.836 0.801 7.715
5 1HG PCA 1 1HG PCA 1 -11.930 -0.631 9.040
6 2HG PCA 1 2HG PCA 1 -10.933 0.493 9.680
7 H LEU 2 H LEU 2 -10.689 -0.500 4.523
8 HA LEU 2 HA LEU 2 -13.082 -1.507 3.437
9 1HB LEU 2 1HB LEU 2 -12.222 0.214 1.921
10 2HB LEU 2 2HB LEU 2 -10.863 -0.682 1.788
11 HG LEU 2 HG LEU 2 -12.309 -2.456 0.900
12 1HD1 LEU 2 1HD1 LEU 2 -14.352 -1.784 -0.157
13 2HD1 LEU 2 2HD1 LEU 2 -14.191 -0.298 0.499
14 3HD1 LEU 2 3HD1 LEU 2 -14.441 -1.593 1.462
15 1HD2 LEU 2 1HD2 LEU 2 -12.227 -1.544 -1.346
16 2HD2 LEU 2 2HD2 LEU 2 -10.836 -1.236 -0.548
17 3HD2 LEU 2 3HD2 LEU 2 -11.959 -0.062 -0.716
18 H TYR 3 H TYR 3 -13.061 -3.502 4.355
19 HA TYR 3 HA TYR 3 -10.535 -4.962 4.562
20 1HB TYR 3 1HB TYR 3 -12.137 -4.781 6.423
21 2HB TYR 3 2HB TYR 3 -13.123 -5.759 5.562
22 HD1 TYR 3 HD1 TYR 3 -10.145 -5.679 7.552
23 HD2 TYR 3 HD2 TYR 3 -12.649 -8.175 5.376
24 HE1 TYR 3 HE1 TYR 3 -9.111 -7.590 8.549
25 HE2 TYR 3 HE2 TYR 3 -11.605 -10.082 6.369
26 HH TYR 3 HH TYR 3 -10.117 -10.919 7.759
27 H GLU 4 H GLU 4 -9.747 -6.126 2.914
28 HA GLU 4 HA GLU 4 -11.559 -7.285 0.994
29 1HB GLU 4 1HB GLU 4 -8.676 -7.153 1.056
30 2HB GLU 4 2HB GLU 4 -9.469 -7.985 -0.105
31 1HG GLU 4 1HG GLU 4 -10.420 -5.953 -0.908
32 2HG GLU 4 2HG GLU 4 -9.622 -5.123 0.250
33 H ASN 5 H ASN 5 -12.454 -9.285 1.113
34 HA ASN 5 HA ASN 5 -11.255 -11.331 2.837
35 1HB ASN 5 1HB ASN 5 -13.641 -10.710 2.920
36 2HB ASN 5 2HB ASN 5 -13.789 -11.433 1.463
37 1HD2 ASN 5 1HD2 ASN 5 -13.893 -13.728 1.289
38 2HD2 ASN 5 2HD2 ASN 5 -13.980 -14.709 2.714
39 H LYS 6 H LYS 6 -9.589 -12.470 2.056
40 HA LYS 6 HA LYS 6 -9.574 -13.319 -0.716
41 1HB LYS 6 1HB LYS 6 -7.623 -13.578 1.406
42 2HB LYS 6 2HB LYS 6 -7.391 -14.259 -0.060
43 1HG LYS 6 1HG LYS 6 -7.373 -12.066 -1.039
44 2HG LYS 6 2HG LYS 6 -7.509 -11.423 0.457
45 1HD LYS 6 1HD LYS 6 -5.249 -13.071 -0.169
46 2HD LYS 6 2HD LYS 6 -5.239 -11.496 -0.600
47 1HE LYS 6 1HE LYS 6 -5.438 -10.879 1.709
48 2HE LYS 6 2HE LYS 6 -5.399 -12.458 2.123
49 1HZ LYS 6 1HZ LYS 6 -3.265 -11.497 2.368
50 2HZ LYS 6 2HZ LYS 6 -3.277 -11.066 0.794
51 3HZ LYS 6 3HZ LYS 6 -3.239 -12.645 1.208
52 HA PRO 7 HA PRO 7 -11.492 -17.251 0.464
53 1HB PRO 7 1HB PRO 7 -10.940 -18.080 -2.263
54 2HB PRO 7 2HB PRO 7 -12.390 -18.129 -1.515
55 1HG PRO 7 1HG PRO 7 -11.993 -16.318 -3.303
56 2HG PRO 7 2HG PRO 7 -12.821 -15.910 -1.955
57 1HD PRO 7 1HD PRO 7 -10.042 -15.358 -2.533
58 2HD PRO 7 2HD PRO 7 -11.125 -14.353 -1.837
59 H ARG 8 H ARG 8 -11.023 -19.063 1.457
60 HA ARG 8 HA ARG 8 -8.237 -20.000 1.287
61 1HB ARG 8 1HB ARG 8 -9.275 -19.338 3.405
62 2HB ARG 8 2HB ARG 8 -10.220 -20.663 3.264
63 1HG ARG 8 1HG ARG 8 -8.266 -22.042 3.376
64 2HG ARG 8 2HG ARG 8 -7.351 -20.704 3.578
65 1HD ARG 8 1HD ARG 8 -9.379 -21.430 5.488
66 2HD ARG 8 2HD ARG 8 -7.846 -21.978 5.625
67 HE ARG 8 HE ARG 8 -8.727 -19.256 6.067
68 1HH1 ARG 8 1HH1 ARG 8 -5.927 -21.434 6.084
69 2HH1 ARG 8 2HH1 ARG 8 -4.993 -20.327 7.034
70 1HH2 ARG 8 1HH2 ARG 8 -7.468 -17.962 7.299
71 2HH2 ARG 8 2HH2 ARG 8 -5.845 -18.412 7.703
72 H ARG 9 H ARG 9 -8.048 -21.113 -0.616
73 HA ARG 9 HA ARG 9 -9.441 -23.710 -0.773
74 1HB ARG 9 1HB ARG 9 -10.495 -22.054 -2.228
75 2HB ARG 9 2HB ARG 9 -9.088 -21.989 -3.055
76 1HG ARG 9 1HG ARG 9 -9.358 -24.287 -3.667
77 2HG ARG 9 2HG ARG 9 -10.783 -24.321 -2.871
78 1HD ARG 9 1HD ARG 9 -11.682 -22.738 -4.435
79 2HD ARG 9 2HD ARG 9 -10.261 -22.740 -5.241
80 HE ARG 9 HE ARG 9 -11.065 -25.380 -5.098
81 1HH1 ARG 9 1HH1 ARG 9 -12.209 -22.471 -6.779
82 2HH1 ARG 9 2HH1 ARG 9 -12.964 -23.411 -8.022
83 1HH2 ARG 9 1HH2 ARG 9 -12.061 -26.457 -6.714
84 2HH2 ARG 9 2HH2 ARG 9 -12.881 -25.614 -7.985
85 HA PRO 10 HA PRO 10 -4.951 -24.578 -1.160
86 1HB PRO 10 1HB PRO 10 -5.694 -27.337 -0.839
87 2HB PRO 10 2HB PRO 10 -4.601 -26.509 0.049
88 1HG PRO 10 1HG PRO 10 -6.862 -27.119 1.132
89 2HG PRO 10 2HG PRO 10 -6.215 -25.653 1.450
90 1HD PRO 10 1HD PRO 10 -8.318 -26.258 -0.447
91 2HD PRO 10 2HD PRO 10 -8.269 -25.008 0.603
92 H TYR 11 H TYR 11 -3.983 -24.203 -2.983
93 HA TYR 11 HA TYR 11 -5.120 -25.313 -5.373
94 1HB TYR 11 1HB TYR 11 -4.262 -22.995 -5.127
95 2HB TYR 11 2HB TYR 11 -2.760 -23.631 -5.207
96 HD1 TYR 11 HD1 TYR 11 -5.660 -22.813 -7.152
97 HD2 TYR 11 HD2 TYR 11 -1.834 -24.409 -7.353
98 HE1 TYR 11 HE1 TYR 11 -5.736 -22.700 -9.540
99 HE2 TYR 11 HE2 TYR 11 -1.923 -24.314 -9.740
100 HH TYR 11 HH TYR 11 -3.015 -23.796 -11.574
101 H ILE 12 H ILE 12 -2.059 -26.082 -3.808
102 HA ILE 12 HA ILE 12 -1.375 -27.818 -5.894
103 HB ILE 12 HB ILE 12 0.429 -28.609 -4.506
104 1HG1 ILE 12 1HG1 ILE 12 -0.045 -26.647 -2.497
105 2HG1 ILE 12 2HG1 ILE 12 -0.664 -28.151 -2.353
106 1HG2 ILE 12 1HG2 ILE 12 1.741 -26.559 -4.568
107 2HG2 ILE 12 2HG2 ILE 12 0.367 -25.727 -4.855
108 3HG2 ILE 12 3HG2 ILE 12 0.916 -26.800 -5.956
109 1HD1 ILE 12 1HD1 ILE 12 1.370 -27.985 -1.131
110 2HD1 ILE 12 2HD1 ILE 12 2.163 -27.555 -2.492
111 3HD1 ILE 12 3HD1 ILE 12 1.544 -29.059 -2.348
112 H LEU 13 H LEU 13 -3.408 -28.607 -3.275
113 HA LEU 13 HA LEU 13 -3.691 -31.282 -4.358
114 1HB LEU 13 1HB LEU 13 -3.252 -30.838 -1.555
115 2HB LEU 13 2HB LEU 13 -3.885 -32.227 -2.137
116 HG LEU 13 HG LEU 13 -1.256 -31.363 -2.863
117 1HD1 LEU 13 1HD1 LEU 13 -0.365 -32.827 -1.160
118 2HD1 LEU 13 2HD1 LEU 13 -1.884 -33.120 -0.639
119 3HD1 LEU 13 3HD1 LEU 13 -1.244 -31.625 -0.490
120 1HD2 LEU 13 1HD2 LEU 13 -0.852 -33.653 -3.418
121 2HD2 LEU 13 2HD2 LEU 13 -2.094 -33.048 -4.288
122 3HD2 LEU 13 3HD2 LEU 13 -2.390 -34.014 -3.005
123 HXT LEU 13 HXT LEU 13 -6.722 -29.604 -2.428
Start of MODEL 7
1 HN PCA 1 HN PCA 1 -16.775 -1.488 13.707
2 HA PCA 1 HA PCA 1 -15.222 -3.380 14.171
3 1HB PCA 1 1HB PCA 1 -16.474 -4.608 15.710
4 2HB PCA 1 2HB PCA 1 -16.861 -5.501 14.399
5 1HG PCA 1 1HG PCA 1 -18.935 -4.584 14.252
6 2HG PCA 1 2HG PCA 1 -18.706 -4.207 15.824
7 H LEU 2 H LEU 2 -14.503 -5.235 12.823
8 HA LEU 2 HA LEU 2 -14.909 -4.743 10.082
9 1HB LEU 2 1HB LEU 2 -12.731 -3.813 10.708
10 2HB LEU 2 2HB LEU 2 -12.304 -5.316 11.187
11 HG LEU 2 HG LEU 2 -12.697 -5.996 8.863
12 1HD1 LEU 2 1HD1 LEU 2 -12.464 -4.322 7.167
13 2HD1 LEU 2 2HD1 LEU 2 -12.513 -3.165 8.317
14 3HD1 LEU 2 3HD1 LEU 2 -13.827 -4.091 8.035
15 1HD2 LEU 2 1HD2 LEU 2 -10.471 -5.311 8.174
16 2HD2 LEU 2 2HD2 LEU 2 -10.464 -5.817 9.727
17 3HD2 LEU 2 3HD2 LEU 2 -10.451 -4.220 9.388
18 H TYR 3 H TYR 3 -16.195 -6.413 9.534
19 HA TYR 3 HA TYR 3 -15.442 -9.124 10.438
20 1HB TYR 3 1HB TYR 3 -17.431 -8.233 11.540
21 2HB TYR 3 2HB TYR 3 -18.155 -8.236 10.076
22 HD1 TYR 3 HD1 TYR 3 -18.899 -10.348 9.042
23 HD2 TYR 3 HD2 TYR 3 -17.064 -10.336 12.766
24 HE1 TYR 3 HE1 TYR 3 -19.605 -12.604 9.403
25 HE2 TYR 3 HE2 TYR 3 -17.786 -12.586 13.126
26 HH TYR 3 HH TYR 3 -18.862 -14.380 12.393
27 H GLU 4 H GLU 4 -14.495 -10.174 8.788
28 HA GLU 4 HA GLU 4 -15.856 -10.190 6.205
29 1HB GLU 4 1HB GLU 4 -13.049 -9.686 6.546
30 2HB GLU 4 2HB GLU 4 -13.654 -10.228 5.128
31 1HG GLU 4 1HG GLU 4 -14.915 -8.220 4.903
32 2HG GLU 4 2HG GLU 4 -14.302 -7.678 6.316
33 H ASN 5 H ASN 5 -16.424 -12.270 5.644
34 HA ASN 5 HA ASN 5 -14.690 -14.522 6.472
35 1HB ASN 5 1HB ASN 5 -16.780 -14.331 7.723
36 2HB ASN 5 2HB ASN 5 -17.559 -14.635 6.320
37 1HD2 ASN 5 1HD2 ASN 5 -15.742 -16.039 8.896
38 2HD2 ASN 5 2HD2 ASN 5 -15.978 -17.686 8.414
39 H LYS 6 H LYS 6 -13.539 -15.231 4.791
40 HA LYS 6 HA LYS 6 -14.928 -15.816 2.288
41 1HB LYS 6 1HB LYS 6 -12.451 -14.346 2.439
42 2HB LYS 6 2HB LYS 6 -12.984 -15.036 1.057
43 1HG LYS 6 1HG LYS 6 -14.483 -12.960 2.346
44 2HG LYS 6 2HG LYS 6 -13.297 -12.607 1.281
45 1HD LYS 6 1HD LYS 6 -15.533 -14.208 0.471
46 2HD LYS 6 2HD LYS 6 -15.630 -12.578 0.440
47 1HE LYS 6 1HE LYS 6 -13.814 -12.520 -1.130
48 2HE LYS 6 2HE LYS 6 -13.774 -14.153 -1.124
49 1HZ LYS 6 1HZ LYS 6 -14.988 -13.373 -2.980
50 2HZ LYS 6 2HZ LYS 6 -16.006 -12.578 -1.982
51 3HZ LYS 6 3HZ LYS 6 -15.966 -14.210 -1.976
52 HA PRO 7 HA PRO 7 -12.443 -19.546 3.318
53 1HB PRO 7 1HB PRO 7 -13.485 -21.295 1.619
54 2HB PRO 7 2HB PRO 7 -14.345 -20.855 2.936
55 1HG PRO 7 1HG PRO 7 -14.645 -19.861 0.241
56 2HG PRO 7 2HG PRO 7 -15.834 -20.283 1.278
57 1HD PRO 7 1HD PRO 7 -15.162 -17.759 0.960
58 2HD PRO 7 2HD PRO 7 -15.722 -18.297 2.397
59 H ARG 8 H ARG 8 -10.544 -20.381 2.977
60 HA ARG 8 HA ARG 8 -9.120 -19.523 0.563
61 1HB ARG 8 1HB ARG 8 -8.283 -19.144 2.844
62 2HB ARG 8 2HB ARG 8 -8.059 -20.759 2.946
63 1HG ARG 8 1HG ARG 8 -5.985 -20.004 2.494
64 2HG ARG 8 2HG ARG 8 -6.516 -20.483 1.026
65 1HD ARG 8 1HD ARG 8 -5.456 -18.502 0.615
66 2HD ARG 8 2HD ARG 8 -7.040 -18.105 0.608
67 HE ARG 8 HE ARG 8 -6.007 -17.759 3.197
68 1HH1 ARG 8 1HH1 ARG 8 -6.029 -16.078 0.074
69 2HH1 ARG 8 2HH1 ARG 8 -5.720 -14.547 0.821
70 1HH2 ARG 8 1HH2 ARG 8 -5.610 -15.772 4.028
71 2HH2 ARG 8 2HH2 ARG 8 -5.489 -14.380 3.006
72 H ARG 9 H ARG 9 -9.255 -20.753 -1.255
73 HA ARG 9 HA ARG 9 -9.527 -23.620 -1.023
74 1HB ARG 9 1HB ARG 9 -9.910 -23.660 -3.302
75 2HB ARG 9 2HB ARG 9 -10.822 -22.479 -2.637
76 1HG ARG 9 1HG ARG 9 -9.358 -20.843 -3.554
77 2HG ARG 9 2HG ARG 9 -8.463 -22.029 -4.231
78 1HD ARG 9 1HD ARG 9 -11.220 -21.675 -4.971
79 2HD ARG 9 2HD ARG 9 -10.039 -20.843 -5.731
80 HE ARG 9 HE ARG 9 -9.208 -23.415 -5.940
81 1HH1 ARG 9 1HH1 ARG 9 -12.186 -21.792 -6.986
82 2HH1 ARG 9 2HH1 ARG 9 -12.402 -22.896 -8.303
83 1HH2 ARG 9 1HH2 ARG 9 -9.571 -24.730 -7.654
84 2HH2 ARG 9 2HH2 ARG 9 -10.957 -24.517 -8.670
85 HA PRO 10 HA PRO 10 -5.054 -24.268 -1.348
86 1HB PRO 10 1HB PRO 10 -4.939 -26.836 -0.790
87 2HB PRO 10 2HB PRO 10 -5.226 -25.773 0.417
88 1HG PRO 10 1HG PRO 10 -7.150 -27.419 -0.961
89 2HG PRO 10 2HG PRO 10 -7.078 -27.106 0.640
90 1HD PRO 10 1HD PRO 10 -8.746 -25.803 -0.944
91 2HD PRO 10 2HD PRO 10 -8.157 -25.120 0.418
92 H TYR 11 H TYR 11 -3.908 -24.073 -3.087
93 HA TYR 11 HA TYR 11 -4.931 -25.203 -5.513
94 1HB TYR 11 1HB TYR 11 -3.912 -22.949 -5.278
95 2HB TYR 11 2HB TYR 11 -2.463 -23.700 -5.210
96 HD1 TYR 11 HD1 TYR 11 -5.126 -22.749 -7.421
97 HD2 TYR 11 HD2 TYR 11 -1.428 -24.624 -7.240
98 HE1 TYR 11 HE1 TYR 11 -4.994 -22.726 -9.808
99 HE2 TYR 11 HE2 TYR 11 -1.310 -24.614 -9.628
100 HH TYR 11 HH TYR 11 -2.223 -24.083 -11.576
101 H ILE 12 H ILE 12 -2.071 -26.153 -3.691
102 HA ILE 12 HA ILE 12 -1.423 -28.062 -5.641
103 HB ILE 12 HB ILE 12 0.220 -28.917 -4.099
104 1HG1 ILE 12 1HG1 ILE 12 -0.210 -26.835 -2.203
105 2HG1 ILE 12 2HG1 ILE 12 -0.990 -28.262 -2.051
106 1HG2 ILE 12 1HG2 ILE 12 1.709 -26.998 -4.137
107 2HG2 ILE 12 2HG2 ILE 12 0.439 -26.063 -4.562
108 3HG2 ILE 12 3HG2 ILE 12 0.968 -27.231 -5.573
109 1HD1 ILE 12 1HD1 ILE 12 0.956 -28.245 -0.684
110 2HD1 ILE 12 2HD1 ILE 12 1.885 -27.958 -1.995
111 3HD1 ILE 12 3HD1 ILE 12 1.105 -29.385 -1.844
112 H LEU 13 H LEU 13 -3.779 -28.484 -3.262
113 HA LEU 13 HA LEU 13 -4.174 -31.232 -4.153
114 1HB LEU 13 1HB LEU 13 -2.919 -31.340 -2.085
115 2HB LEU 13 2HB LEU 13 -4.192 -30.636 -1.342
116 HG LEU 13 HG LEU 13 -5.493 -32.588 -2.104
117 1HD1 LEU 13 1HD1 LEU 13 -4.282 -34.626 -2.454
118 2HD1 LEU 13 2HD1 LEU 13 -2.882 -33.787 -2.421
119 3HD1 LEU 13 3HD1 LEU 13 -3.953 -33.540 -3.629
120 1HD2 LEU 13 1HD2 LEU 13 -4.847 -33.901 -0.180
121 2HD2 LEU 13 2HD2 LEU 13 -4.941 -32.317 0.205
122 3HD2 LEU 13 3HD2 LEU 13 -3.485 -33.010 -0.049
123 HXT LEU 13 HXT LEU 13 -7.263 -29.239 -2.762
Start of MODEL 8
1 HN PCA 1 HN PCA 1 -26.491 -8.223 1.964
2 HA PCA 1 HA PCA 1 -25.350 -7.487 4.074
3 1HB PCA 1 1HB PCA 1 -26.131 -9.057 5.587
4 2HB PCA 1 2HB PCA 1 -24.712 -9.801 5.268
5 1HG PCA 1 1HG PCA 1 -25.709 -11.376 3.973
6 2HG PCA 1 2HG PCA 1 -27.074 -10.946 4.760
7 H LEU 2 H LEU 2 -23.165 -6.984 4.215
8 HA LEU 2 HA LEU 2 -21.514 -7.842 2.129
9 1HB LEU 2 1HB LEU 2 -21.746 -5.088 2.969
10 2HB LEU 2 2HB LEU 2 -20.448 -5.652 2.154
11 HG LEU 2 HG LEU 2 -23.061 -5.691 0.996
12 1HD1 LEU 2 1HD1 LEU 2 -22.522 -3.618 -0.142
13 2HD1 LEU 2 2HD1 LEU 2 -21.131 -3.533 0.709
14 3HD1 LEU 2 3HD1 LEU 2 -22.567 -3.395 1.474
15 1HD2 LEU 2 1HD2 LEU 2 -21.929 -5.785 -1.112
16 2HD2 LEU 2 2HD2 LEU 2 -21.515 -7.051 -0.167
17 3HD2 LEU 2 3HD2 LEU 2 -20.495 -5.785 -0.330
18 H TYR 3 H TYR 3 -19.875 -8.987 3.036
19 HA TYR 3 HA TYR 3 -18.792 -8.131 5.610
20 1HB TYR 3 1HB TYR 3 -18.737 -10.277 6.479
21 2HB TYR 3 2HB TYR 3 -20.279 -9.874 6.124
22 HD1 TYR 3 HD1 TYR 3 -17.576 -12.041 5.179
23 HD2 TYR 3 HD2 TYR 3 -21.597 -11.218 4.576
24 HE1 TYR 3 HE1 TYR 3 -17.813 -14.088 3.973
25 HE2 TYR 3 HE2 TYR 3 -21.831 -13.273 3.372
26 HH TYR 3 HH TYR 3 -20.905 -15.130 2.572
27 H GLU 4 H GLU 4 -16.583 -8.091 5.878
28 HA GLU 4 HA GLU 4 -15.001 -8.793 3.541
29 1HB GLU 4 1HB GLU 4 -13.322 -7.462 4.401
30 2HB GLU 4 2HB GLU 4 -14.725 -6.628 4.348
31 1HG GLU 4 1HG GLU 4 -14.910 -6.763 6.702
32 2HG GLU 4 2HG GLU 4 -13.531 -7.637 6.771
33 H ASN 5 H ASN 5 -14.998 -10.991 3.410
34 HA ASN 5 HA ASN 5 -12.992 -12.233 5.103
35 1HB ASN 5 1HB ASN 5 -15.609 -13.371 4.828
36 2HB ASN 5 2HB ASN 5 -14.318 -14.255 5.294
37 1HD2 ASN 5 1HD2 ASN 5 -13.492 -14.099 7.458
38 2HD2 ASN 5 2HD2 ASN 5 -14.403 -13.256 8.665
39 H LYS 6 H LYS 6 -11.416 -13.048 3.738
40 HA LYS 6 HA LYS 6 -12.069 -13.707 0.996
41 1HB LYS 6 1HB LYS 6 -9.548 -13.515 2.389
42 2HB LYS 6 2HB LYS 6 -9.636 -14.028 0.841
43 1HG LYS 6 1HG LYS 6 -8.982 -11.915 0.549
44 2HG LYS 6 2HG LYS 6 -10.601 -11.756 0.397
45 1HD LYS 6 1HD LYS 6 -10.760 -10.887 2.572
46 2HD LYS 6 2HD LYS 6 -9.167 -11.147 2.822
47 1HE LYS 6 1HE LYS 6 -9.277 -8.903 2.460
48 2HE LYS 6 2HE LYS 6 -8.795 -9.485 1.011
49 1HZ LYS 6 1HZ LYS 6 -10.498 -7.896 0.728
50 2HZ LYS 6 2HZ LYS 6 -11.488 -8.784 1.675
51 3HZ LYS 6 3HZ LYS 6 -11.006 -9.365 0.228
52 HA PRO 7 HA PRO 7 -12.304 -18.095 2.201
53 1HB PRO 7 1HB PRO 7 -13.090 -19.170 -0.098
54 2HB PRO 7 2HB PRO 7 -14.161 -18.314 0.789
55 1HG PRO 7 1HG PRO 7 -12.683 -17.408 -1.519
56 2HG PRO 7 2HG PRO 7 -14.260 -17.144 -1.187
57 1HD PRO 7 1HD PRO 7 -12.453 -15.299 -0.681
58 2HD PRO 7 2HD PRO 7 -13.792 -15.430 0.244
59 H ARG 8 H ARG 8 -11.054 -19.750 2.571
60 HA ARG 8 HA ARG 8 -8.521 -19.801 1.179
61 1HB ARG 8 1HB ARG 8 -9.430 -21.196 3.539
62 2HB ARG 8 2HB ARG 8 -7.969 -21.497 2.873
63 1HG ARG 8 1HG ARG 8 -7.280 -19.272 3.382
64 2HG ARG 8 2HG ARG 8 -8.740 -18.974 4.051
65 1HD ARG 8 1HD ARG 8 -8.287 -20.578 5.764
66 2HD ARG 8 2HD ARG 8 -6.832 -20.891 5.090
67 HE ARG 8 HE ARG 8 -6.969 -18.150 5.587
68 1HH1 ARG 8 1HH1 ARG 8 -6.566 -21.128 7.474
69 2HH1 ARG 8 2HH1 ARG 8 -5.771 -20.282 8.759
70 1HH2 ARG 8 1HH2 ARG 8 -5.964 -17.190 7.269
71 2HH2 ARG 8 2HH2 ARG 8 -5.439 -18.103 8.643
72 H ARG 9 H ARG 9 -8.135 -20.957 -0.635
73 HA ARG 9 HA ARG 9 -9.392 -23.613 -0.991
74 1HB ARG 9 1HB ARG 9 -10.483 -21.886 -2.318
75 2HB ARG 9 2HB ARG 9 -9.062 -21.671 -3.094
76 1HG ARG 9 1HG ARG 9 -9.205 -23.907 -3.939
77 2HG ARG 9 2HG ARG 9 -10.649 -24.083 -3.196
78 1HD ARG 9 1HD ARG 9 -11.553 -22.346 -4.597
79 2HD ARG 9 2HD ARG 9 -10.118 -22.249 -5.372
80 HE ARG 9 HE ARG 9 -11.983 -24.475 -5.544
81 1HH1 ARG 9 1HH1 ARG 9 -9.059 -22.991 -6.902
82 2HH1 ARG 9 2HH1 ARG 9 -9.066 -24.074 -8.253
83 1HH2 ARG 9 1HH2 ARG 9 -11.885 -25.779 -7.280
84 2HH2 ARG 9 2HH2 ARG 9 -10.628 -25.615 -8.460
85 HA PRO 10 HA PRO 10 -4.862 -24.260 -1.416
86 1HB PRO 10 1HB PRO 10 -4.727 -26.806 -0.768
87 2HB PRO 10 2HB PRO 10 -4.927 -25.697 0.414
88 1HG PRO 10 1HG PRO 10 -6.948 -27.377 -0.771
89 2HG PRO 10 2HG PRO 10 -6.768 -27.005 0.809
90 1HD PRO 10 1HD PRO 10 -8.531 -25.747 -0.711
91 2HD PRO 10 2HD PRO 10 -7.851 -25.020 0.584
92 H TYR 11 H TYR 11 -3.900 -24.073 -3.261
93 HA TYR 11 HA TYR 11 -5.057 -25.361 -5.546
94 1HB TYR 11 1HB TYR 11 -4.125 -23.062 -5.504
95 2HB TYR 11 2HB TYR 11 -2.643 -23.748 -5.506
96 HD1 TYR 11 HD1 TYR 11 -1.716 -24.739 -7.557
97 HD2 TYR 11 HD2 TYR 11 -5.495 -23.024 -7.559
98 HE1 TYR 11 HE1 TYR 11 -1.775 -24.865 -9.944
99 HE2 TYR 11 HE2 TYR 11 -5.539 -23.128 -9.948
100 HH TYR 11 HH TYR 11 -4.562 -23.694 -11.836
101 H ILE 12 H ILE 12 -2.028 -26.101 -3.909
102 HA ILE 12 HA ILE 12 -1.444 -28.081 -5.805
103 HB ILE 12 HB ILE 12 0.343 -28.791 -4.354
104 1HG1 ILE 12 1HG1 ILE 12 -0.036 -26.635 -2.530
105 2HG1 ILE 12 2HG1 ILE 12 -0.745 -28.080 -2.254
106 1HG2 ILE 12 1HG2 ILE 12 1.740 -26.817 -4.591
107 2HG2 ILE 12 2HG2 ILE 12 0.403 -25.956 -4.961
108 3HG2 ILE 12 3HG2 ILE 12 0.907 -27.149 -5.955
109 1HD1 ILE 12 1HD1 ILE 12 1.291 -27.925 -1.036
110 2HD1 ILE 12 2HD1 ILE 12 2.112 -27.670 -2.425
111 3HD1 ILE 12 3HD1 ILE 12 1.402 -29.115 -2.149
112 H LEU 13 H LEU 13 -3.605 -28.472 -3.249
113 HA LEU 13 HA LEU 13 -3.932 -31.282 -3.959
114 1HB LEU 13 1HB LEU 13 -2.546 -31.208 -1.973
115 2HB LEU 13 2HB LEU 13 -3.803 -30.518 -1.192
116 HG LEU 13 HG LEU 13 -5.052 -32.568 -1.756
117 1HD1 LEU 13 1HD1 LEU 13 -3.769 -34.567 -2.061
118 2HD1 LEU 13 2HD1 LEU 13 -2.411 -33.667 -2.167
119 3HD1 LEU 13 3HD1 LEU 13 -3.565 -33.542 -3.316
120 1HD2 LEU 13 1HD2 LEU 13 -4.229 -33.730 0.198
121 2HD2 LEU 13 2HD2 LEU 13 -4.377 -32.131 0.495
122 3HD2 LEU 13 3HD2 LEU 13 -2.906 -32.772 0.190
123 HXT LEU 13 HXT LEU 13 -7.016 -29.339 -2.486
Start of MODEL 9
1 HN PCA 1 HN PCA 1 -25.172 -5.208 12.613
2 HA PCA 1 HA PCA 1 -25.119 -7.787 12.102
3 1HB PCA 1 1HB PCA 1 -25.803 -6.938 9.423
4 2HB PCA 1 2HB PCA 1 -26.333 -8.283 10.184
5 1HG PCA 1 1HG PCA 1 -27.901 -6.168 9.899
6 2HG PCA 1 2HG PCA 1 -28.072 -7.176 11.173
7 H LEU 2 H LEU 2 -23.235 -8.766 11.376
8 HA LEU 2 HA LEU 2 -21.200 -7.463 10.387
9 1HB LEU 2 1HB LEU 2 -20.806 -7.737 13.216
10 2HB LEU 2 2HB LEU 2 -19.564 -7.607 12.164
11 HG LEU 2 HG LEU 2 -21.512 -5.530 12.415
12 1HD1 LEU 2 1HD1 LEU 2 -20.017 -4.376 13.933
13 2HD1 LEU 2 2HD1 LEU 2 -19.038 -5.682 13.935
14 3HD1 LEU 2 3HD1 LEU 2 -20.532 -5.781 14.586
15 1HD2 LEU 2 1HD2 LEU 2 -19.826 -4.089 11.512
16 2HD2 LEU 2 2HD2 LEU 2 -20.165 -5.313 10.486
17 3HD2 LEU 2 3HD2 LEU 2 -18.812 -5.364 11.399
18 H TYR 3 H TYR 3 -20.700 -9.177 9.050
19 HA TYR 3 HA TYR 3 -20.080 -11.767 10.262
20 1HB TYR 3 1HB TYR 3 -21.217 -12.996 8.698
21 2HB TYR 3 2HB TYR 3 -22.264 -12.012 9.475
22 HD1 TYR 3 HD1 TYR 3 -20.826 -12.764 6.285
23 HD2 TYR 3 HD2 TYR 3 -23.506 -10.282 8.257
24 HE1 TYR 3 HE1 TYR 3 -21.612 -11.940 4.184
25 HE2 TYR 3 HE2 TYR 3 -24.302 -9.475 6.151
26 HH TYR 3 HH TYR 3 -24.186 -9.482 3.954
27 H GLU 4 H GLU 4 -17.980 -12.317 9.898
28 HA GLU 4 HA GLU 4 -16.645 -11.266 7.543
29 1HB GLU 4 1HB GLU 4 -15.601 -12.584 9.873
30 2HB GLU 4 2HB GLU 4 -14.662 -12.272 8.573
31 1HG GLU 4 1HG GLU 4 -15.011 -9.924 8.914
32 2HG GLU 4 2HG GLU 4 -15.890 -10.264 10.248
33 H ASN 5 H ASN 5 -16.767 -12.318 5.627
34 HA ASN 5 HA ASN 5 -16.482 -15.255 5.568
35 1HB ASN 5 1HB ASN 5 -18.802 -14.554 5.288
36 2HB ASN 5 2HB ASN 5 -18.337 -13.835 3.897
37 1HD2 ASN 5 1HD2 ASN 5 -19.063 -16.853 5.404
38 2HD2 ASN 5 2HD2 ASN 5 -18.990 -17.806 3.960
39 H LYS 6 H LYS 6 -14.532 -15.721 4.749
40 HA LYS 6 HA LYS 6 -13.704 -14.412 2.269
41 1HB LYS 6 1HB LYS 6 -12.013 -14.689 4.585
42 2HB LYS 6 2HB LYS 6 -11.423 -14.367 3.096
43 1HG LYS 6 1HG LYS 6 -13.197 -12.536 4.410
44 2HG LYS 6 2HG LYS 6 -11.584 -12.476 4.661
45 1HD LYS 6 1HD LYS 6 -12.690 -12.151 2.035
46 2HD LYS 6 2HD LYS 6 -12.509 -10.875 3.039
47 1HE LYS 6 1HE LYS 6 -10.244 -12.448 2.230
48 2HE LYS 6 2HE LYS 6 -10.756 -11.182 1.333
49 1HZ LYS 6 1HZ LYS 6 -8.997 -10.531 2.737
50 2HZ LYS 6 2HZ LYS 6 -9.856 -11.007 4.042
51 3HZ LYS 6 3HZ LYS 6 -10.367 -9.741 3.146
52 HA PRO 7 HA PRO 7 -13.158 -18.958 1.721
53 1HB PRO 7 1HB PRO 7 -13.119 -19.103 -0.926
54 2HB PRO 7 2HB PRO 7 -14.544 -18.859 -0.164
55 1HG PRO 7 1HG PRO 7 -12.882 -16.874 -1.443
56 2HG PRO 7 2HG PRO 7 -14.507 -17.014 -1.536
57 1HD PRO 7 1HD PRO 7 -13.396 -15.285 0.110
58 2HD PRO 7 2HD PRO 7 -14.829 -15.981 0.471
59 H ARG 8 H ARG 8 -11.637 -20.410 1.792
60 HA ARG 8 HA ARG 8 -9.005 -19.705 0.719
61 1HB ARG 8 1HB ARG 8 -9.492 -20.546 3.422
62 2HB ARG 8 2HB ARG 8 -8.018 -20.681 2.731
63 1HG ARG 8 1HG ARG 8 -7.888 -18.312 2.536
64 2HG ARG 8 2HG ARG 8 -9.367 -18.172 3.216
65 1HD ARG 8 1HD ARG 8 -8.498 -19.076 5.260
66 2HD ARG 8 2HD ARG 8 -7.017 -19.171 4.578
67 HE ARG 8 HE ARG 8 -8.389 -16.694 5.263
68 1HH1 ARG 8 1HH1 ARG 8 -5.293 -18.199 4.391
69 2HH1 ARG 8 2HH1 ARG 8 -4.422 -16.744 4.738
70 1HH2 ARG 8 1HH2 ARG 8 -7.183 -14.930 5.672
71 2HH2 ARG 8 2HH2 ARG 8 -5.466 -14.941 5.445
72 H ARG 9 H ARG 9 -8.559 -21.194 -0.867
73 HA ARG 9 HA ARG 9 -8.966 -24.067 -0.335
74 1HB ARG 9 1HB ARG 9 -10.796 -23.141 -1.682
75 2HB ARG 9 2HB ARG 9 -9.686 -22.857 -2.846
76 1HG ARG 9 1HG ARG 9 -9.290 -25.208 -3.022
77 2HG ARG 9 2HG ARG 9 -10.433 -25.476 -1.887
78 1HD ARG 9 1HD ARG 9 -11.536 -25.925 -3.829
79 2HD ARG 9 2HD ARG 9 -12.008 -24.397 -3.498
80 HE ARG 9 HE ARG 9 -9.729 -24.274 -5.105
81 1HH1 ARG 9 1HH1 ARG 9 -13.194 -24.949 -5.462
82 2HH1 ARG 9 2HH1 ARG 9 -13.156 -24.581 -7.154
83 1HH2 ARG 9 1HH2 ARG 9 -9.796 -23.878 -7.256
84 2HH2 ARG 9 2HH2 ARG 9 -11.280 -23.990 -8.143
85 HA PRO 10 HA PRO 10 -4.663 -23.512 -1.792
86 1HB PRO 10 1HB PRO 10 -3.596 -25.774 -0.913
87 2HB PRO 10 2HB PRO 10 -3.888 -24.561 0.141
88 1HG PRO 10 1HG PRO 10 -5.479 -26.923 -0.297
89 2HG PRO 10 2HG PRO 10 -5.121 -26.218 1.132
90 1HD PRO 10 1HD PRO 10 -7.448 -25.818 -0.054
91 2HD PRO 10 2HD PRO 10 -6.790 -24.691 0.928
92 H TYR 11 H TYR 11 -3.343 -23.877 -3.453
93 HA TYR 11 HA TYR 11 -4.716 -25.068 -5.625
94 1HB TYR 11 1HB TYR 11 -2.140 -23.707 -5.464
95 2HB TYR 11 2HB TYR 11 -2.697 -24.263 -6.895
96 HD1 TYR 11 HD1 TYR 11 -4.564 -23.123 -8.048
97 HD2 TYR 11 HD2 TYR 11 -3.022 -21.639 -4.491
98 HE1 TYR 11 HE1 TYR 11 -5.741 -21.072 -8.390
99 HE2 TYR 11 HE2 TYR 11 -4.219 -19.599 -4.826
100 HH TYR 11 HH TYR 11 -5.577 -18.374 -6.076
101 H ILE 12 H ILE 12 -1.971 -26.277 -3.888
102 HA ILE 12 HA ILE 12 -1.588 -28.484 -5.583
103 HB ILE 12 HB ILE 12 -0.301 -29.410 -3.706
104 1HG1 ILE 12 1HG1 ILE 12 -0.623 -26.935 -2.310
105 2HG1 ILE 12 2HG1 ILE 12 -1.464 -28.283 -1.932
106 1HG2 ILE 12 1HG2 ILE 12 1.548 -27.853 -3.936
107 2HG2 ILE 12 2HG2 ILE 12 0.530 -26.786 -4.637
108 3HG2 ILE 12 3HG2 ILE 12 0.871 -28.199 -5.381
109 1HD1 ILE 12 1HD1 ILE 12 0.348 -28.003 -0.430
110 2HD1 ILE 12 2HD1 ILE 12 1.400 -28.021 -1.678
111 3HD1 ILE 12 3HD1 ILE 12 0.559 -29.369 -1.300
112 H LEU 13 H LEU 13 -4.031 -28.249 -3.158
113 HA LEU 13 HA LEU 13 -5.286 -30.521 -4.362
114 1HB LEU 13 1HB LEU 13 -3.945 -31.597 -2.682
115 2HB LEU 13 2HB LEU 13 -4.827 -30.814 -1.552
116 HG LEU 13 HG LEU 13 -6.777 -31.968 -2.515
117 1HD1 LEU 13 1HD1 LEU 13 -6.378 -34.055 -3.617
118 2HD1 LEU 13 2HD1 LEU 13 -4.782 -33.717 -3.657
119 3HD1 LEU 13 3HD1 LEU 13 -5.831 -32.805 -4.513
120 1HD2 LEU 13 1HD2 LEU 13 -6.406 -33.943 -1.168
121 2HD2 LEU 13 2HD2 LEU 13 -5.917 -32.602 -0.375
122 3HD2 LEU 13 3HD2 LEU 13 -4.817 -33.573 -1.091
123 HXT LEU 13 HXT LEU 13 -8.074 -28.605 -3.577
Start of MODEL 10
1 HN PCA 1 HN PCA 1 -15.137 -14.632 22.546
2 HA PCA 1 HA PCA 1 -14.943 -16.832 21.388
3 1HB PCA 1 1HB PCA 1 -17.078 -16.877 19.756
4 2HB PCA 1 2HB PCA 1 -17.185 -17.466 21.276
5 1HG PCA 1 1HG PCA 1 -18.203 -14.979 20.296
6 2HG PCA 1 2HG PCA 1 -18.759 -15.856 21.557
7 H LEU 2 H LEU 2 -14.350 -17.408 19.134
8 HA LEU 2 HA LEU 2 -12.942 -15.333 17.839
9 1HB LEU 2 1HB LEU 2 -11.343 -16.677 19.134
10 2HB LEU 2 2HB LEU 2 -11.821 -17.961 18.245
11 HG LEU 2 HG LEU 2 -11.045 -16.706 16.295
12 1HD1 LEU 2 1HD1 LEU 2 -9.331 -15.063 16.645
13 2HD1 LEU 2 2HD1 LEU 2 -9.615 -15.127 18.251
14 3HD1 LEU 2 3HD1 LEU 2 -10.764 -14.555 17.241
15 1HD2 LEU 2 1HD2 LEU 2 -8.750 -17.429 16.581
16 2HD2 LEU 2 2HD2 LEU 2 -9.789 -18.577 17.097
17 3HD2 LEU 2 3HD2 LEU 2 -9.028 -17.620 18.179
18 H TYR 3 H TYR 3 -14.344 -14.978 16.185
19 HA TYR 3 HA TYR 3 -15.132 -17.293 14.557
20 1HB TYR 3 1HB TYR 3 -16.972 -16.634 15.988
21 2HB TYR 3 2HB TYR 3 -16.971 -15.181 15.241
22 HD1 TYR 3 HD1 TYR 3 -17.861 -14.948 12.943
23 HD2 TYR 3 HD2 TYR 3 -17.914 -18.617 14.881
24 HE1 TYR 3 HE1 TYR 3 -19.325 -15.815 11.264
25 HE2 TYR 3 HE2 TYR 3 -19.396 -19.472 13.212
26 HH TYR 3 HH TYR 3 -20.548 -19.166 11.366
27 H GLU 4 H GLU 4 -13.949 -17.102 12.719
28 HA GLU 4 HA GLU 4 -14.097 -14.569 11.278
29 1HB GLU 4 1HB GLU 4 -11.657 -15.995 11.749
30 2HB GLU 4 2HB GLU 4 -11.803 -14.914 10.534
31 1HG GLU 4 1HG GLU 4 -10.784 -13.666 12.078
32 2HG GLU 4 2HG GLU 4 -12.347 -13.292 12.373
33 H ASN 5 H ASN 5 -15.233 -14.962 9.395
34 HA ASN 5 HA ASN 5 -14.878 -17.540 7.996
35 1HB ASN 5 1HB ASN 5 -17.101 -16.891 8.802
36 2HB ASN 5 2HB ASN 5 -17.061 -15.689 7.697
37 1HD2 ASN 5 1HD2 ASN 5 -17.429 -16.128 5.456
38 2HD2 ASN 5 2HD2 ASN 5 -17.960 -17.699 4.957
39 H LYS 6 H LYS 6 -13.310 -17.554 6.531
40 HA LYS 6 HA LYS 6 -13.290 -15.488 4.471
41 1HB LYS 6 1HB LYS 6 -10.961 -16.207 6.005
42 2HB LYS 6 2HB LYS 6 -10.855 -15.448 4.563
43 1HG LYS 6 1HG LYS 6 -12.190 -14.185 6.763
44 2HG LYS 6 2HG LYS 6 -10.568 -14.074 6.604
45 1HD LYS 6 1HD LYS 6 -10.890 -13.015 4.468
46 2HD LYS 6 2HD LYS 6 -12.503 -13.048 4.725
47 1HE LYS 6 1HE LYS 6 -10.785 -11.622 6.537
48 2HE LYS 6 2HE LYS 6 -11.330 -10.898 5.178
49 1HZ LYS 6 1HZ LYS 6 -12.715 -10.371 6.996
50 2HZ LYS 6 2HZ LYS 6 -12.999 -11.960 7.244
51 3HZ LYS 6 3HZ LYS 6 -13.544 -11.236 5.886
52 HA PRO 7 HA PRO 7 -12.832 -19.609 2.436
53 1HB PRO 7 1HB PRO 7 -13.630 -19.017 -0.007
54 2HB PRO 7 2HB PRO 7 -14.742 -19.150 1.182
55 1HG PRO 7 1HG PRO 7 -13.623 -16.722 0.096
56 2HG PRO 7 2HG PRO 7 -15.185 -17.010 0.476
57 1HD PRO 7 1HD PRO 7 -13.607 -15.679 2.119
58 2HD PRO 7 2HD PRO 7 -14.849 -16.576 2.685
59 H ARG 8 H ARG 8 -11.024 -20.569 2.262
60 HA ARG 8 HA ARG 8 -9.003 -19.534 0.368
61 1HB ARG 8 1HB ARG 8 -8.510 -18.943 2.690
62 2HB ARG 8 2HB ARG 8 -8.324 -20.542 2.967
63 1HG ARG 8 1HG ARG 8 -6.493 -20.587 1.435
64 2HG ARG 8 2HG ARG 8 -6.674 -18.985 1.178
65 1HD ARG 8 1HD ARG 8 -6.081 -18.560 3.463
66 2HD ARG 8 2HD ARG 8 -5.878 -20.163 3.702
67 HE ARG 8 HE ARG 8 -4.266 -19.527 1.563
68 1HH1 ARG 8 1HH1 ARG 8 -4.284 -18.690 5.011
69 2HH1 ARG 8 2HH1 ARG 8 -2.573 -18.424 5.020
70 1HH2 ARG 8 1HH2 ARG 8 -2.116 -19.170 1.697
71 2HH2 ARG 8 2HH2 ARG 8 -1.376 -18.690 3.188
72 H ARG 9 H ARG 9 -9.306 -20.958 -1.332
73 HA ARG 9 HA ARG 9 -9.490 -23.796 -0.810
74 1HB ARG 9 1HB ARG 9 -9.516 -22.303 -3.286
75 2HB ARG 9 2HB ARG 9 -9.617 -23.933 -3.245
76 1HG ARG 9 1HG ARG 9 -11.649 -22.324 -2.025
77 2HG ARG 9 2HG ARG 9 -11.707 -22.662 -3.622
78 1HD ARG 9 1HD ARG 9 -11.747 -24.737 -1.627
79 2HD ARG 9 2HD ARG 9 -13.119 -24.073 -2.216
80 HE ARG 9 HE ARG 9 -11.354 -25.878 -3.634
81 1HH1 ARG 9 1HH1 ARG 9 -14.309 -23.916 -3.887
82 2HH1 ARG 9 2HH1 ARG 9 -14.842 -24.787 -5.286
83 1HH2 ARG 9 1HH2 ARG 9 -12.156 -26.921 -5.387
84 2HH2 ARG 9 2HH2 ARG 9 -13.655 -26.441 -6.111
85 HA PRO 10 HA PRO 10 -4.934 -24.124 -1.333
86 1HB PRO 10 1HB PRO 10 -4.584 -26.627 -0.598
87 2HB PRO 10 2HB PRO 10 -4.890 -25.502 0.545
88 1HG PRO 10 1HG PRO 10 -6.750 -27.387 -0.599
89 2HG PRO 10 2HG PRO 10 -6.613 -26.956 0.971
90 1HD PRO 10 1HD PRO 10 -8.467 -25.897 -0.590
91 2HD PRO 10 2HD PRO 10 -7.856 -25.074 0.682
92 H TYR 11 H TYR 11 -3.914 -23.971 -3.154
93 HA TYR 11 HA TYR 11 -5.022 -25.344 -5.374
94 1HB TYR 11 1HB TYR 11 -2.955 -23.328 -5.083
95 2HB TYR 11 2HB TYR 11 -3.059 -24.084 -6.526
96 HD1 TYR 11 HD1 TYR 11 -4.975 -23.691 -8.021
97 HD2 TYR 11 HD2 TYR 11 -4.632 -21.649 -4.421
98 HE1 TYR 11 HE1 TYR 11 -6.681 -22.170 -8.718
99 HE2 TYR 11 HE2 TYR 11 -6.348 -20.140 -5.120
100 HH TYR 11 HH TYR 11 -7.788 -19.485 -6.652
101 H ILE 12 H ILE 12 -2.284 -26.253 -3.544
102 HA ILE 12 HA ILE 12 -1.263 -28.075 -5.509
103 HB ILE 12 HB ILE 12 -0.705 -28.056 -2.732
104 1HG1 ILE 12 1HG1 ILE 12 1.176 -26.812 -4.531
105 2HG1 ILE 12 2HG1 ILE 12 -0.058 -25.937 -3.916
106 1HG2 ILE 12 1HG2 ILE 12 1.425 -29.158 -3.340
107 2HG2 ILE 12 2HG2 ILE 12 0.923 -29.182 -4.893
108 3HG2 ILE 12 3HG2 ILE 12 0.138 -30.067 -3.768
109 1HD1 ILE 12 1HD1 ILE 12 1.923 -25.548 -2.663
110 2HD1 ILE 12 2HD1 ILE 12 2.037 -27.143 -2.332
111 3HD1 ILE 12 3HD1 ILE 12 0.803 -26.268 -1.717
112 H LEU 13 H LEU 13 -3.822 -28.553 -3.154
113 HA LEU 13 HA LEU 13 -4.577 -30.900 -4.664
114 1HB LEU 13 1HB LEU 13 -4.390 -30.975 -1.794
115 2HB LEU 13 2HB LEU 13 -5.234 -32.081 -2.650
116 HG LEU 13 HG LEU 13 -2.402 -31.776 -2.930
117 1HD1 LEU 13 1HD1 LEU 13 -2.150 -33.681 -1.456
118 2HD1 LEU 13 2HD1 LEU 13 -3.762 -33.671 -1.195
119 3HD1 LEU 13 3HD1 LEU 13 -2.842 -32.430 -0.668
120 1HD2 LEU 13 1HD2 LEU 13 -2.422 -33.963 -3.882
121 2HD2 LEU 13 2HD2 LEU 13 -3.347 -32.935 -4.750
122 3HD2 LEU 13 3HD2 LEU 13 -4.047 -34.004 -3.734
123 HXT LEU 13 HXT LEU 13 -7.751 -29.480 -4.422
Start of MODEL 11
1 HN PCA 1 HN PCA 1 -24.496 -3.049 2.253
2 HA PCA 1 HA PCA 1 -24.295 -3.974 4.560
3 1HB PCA 1 1HB PCA 1 -24.412 -6.635 4.184
4 2HB PCA 1 2HB PCA 1 -25.773 -5.773 4.449
5 1HG PCA 1 1HG PCA 1 -24.846 -6.839 1.963
6 2HG PCA 1 2HG PCA 1 -26.387 -6.513 2.393
7 H LEU 2 H LEU 2 -22.505 -5.102 5.676
8 HA LEU 2 HA LEU 2 -20.071 -4.657 4.377
9 1HB LEU 2 1HB LEU 2 -18.980 -3.868 6.192
10 2HB LEU 2 2HB LEU 2 -20.220 -2.855 5.870
11 HG LEU 2 HG LEU 2 -20.358 -4.716 8.015
12 1HD1 LEU 2 1HD1 LEU 2 -19.610 -2.925 9.507
13 2HD1 LEU 2 2HD1 LEU 2 -19.350 -1.980 8.202
14 3HD1 LEU 2 3HD1 LEU 2 -18.438 -3.314 8.438
15 1HD2 LEU 2 1HD2 LEU 2 -21.956 -3.234 8.998
16 2HD2 LEU 2 2HD2 LEU 2 -22.453 -3.759 7.534
17 3HD2 LEU 2 3HD2 LEU 2 -21.832 -2.257 7.695
18 H TYR 3 H TYR 3 -19.502 -6.630 3.757
19 HA TYR 3 HA TYR 3 -19.425 -8.764 5.785
20 1HB TYR 3 1HB TYR 3 -21.316 -9.024 4.256
21 2HB TYR 3 2HB TYR 3 -20.226 -9.226 3.056
22 HD1 TYR 3 HD1 TYR 3 -18.953 -11.329 2.853
23 HD2 TYR 3 HD2 TYR 3 -21.724 -10.808 5.899
24 HE1 TYR 3 HE1 TYR 3 -18.864 -13.670 3.338
25 HE2 TYR 3 HE2 TYR 3 -21.651 -13.152 6.362
26 HH TYR 3 HH TYR 3 -20.849 -15.145 5.912
27 H GLU 4 H GLU 4 -17.329 -9.307 6.217
28 HA GLU 4 HA GLU 4 -15.300 -8.891 4.183
29 1HB GLU 4 1HB GLU 4 -13.728 -9.203 5.808
30 2HB GLU 4 2HB GLU 4 -14.836 -8.119 6.324
31 1HG GLU 4 1HG GLU 4 -15.721 -9.729 7.821
32 2HG GLU 4 2HG GLU 4 -14.630 -10.824 7.296
33 H ASN 5 H ASN 5 -15.585 -10.203 2.477
34 HA ASN 5 HA ASN 5 -15.485 -13.098 2.894
35 1HB ASN 5 1HB ASN 5 -17.111 -12.032 1.389
36 2HB ASN 5 2HB ASN 5 -15.853 -11.678 0.409
37 1HD2 ASN 5 1HD2 ASN 5 -17.975 -14.183 1.481
38 2HD2 ASN 5 2HD2 ASN 5 -17.450 -15.374 0.339
39 H LYS 6 H LYS 6 -13.651 -14.198 3.047
40 HA LYS 6 HA LYS 6 -11.298 -13.387 1.441
41 1HB LYS 6 1HB LYS 6 -11.129 -12.701 3.767
42 2HB LYS 6 2HB LYS 6 -11.215 -14.279 4.179
43 1HG LYS 6 1HG LYS 6 -9.010 -13.845 4.331
44 2HG LYS 6 2HG LYS 6 -9.137 -14.555 2.866
45 1HD LYS 6 1HD LYS 6 -7.708 -12.840 2.500
46 2HD LYS 6 2HD LYS 6 -9.132 -12.281 1.929
47 1HE LYS 6 1HE LYS 6 -8.213 -10.493 3.022
48 2HE LYS 6 2HE LYS 6 -9.343 -11.056 4.060
49 1HZ LYS 6 1HZ LYS 6 -7.342 -10.596 5.201
50 2HZ LYS 6 2HZ LYS 6 -6.543 -11.631 4.225
51 3HZ LYS 6 3HZ LYS 6 -7.671 -12.194 5.262
52 HA PRO 7 HA PRO 7 -12.143 -17.755 0.403
53 1HB PRO 7 1HB PRO 7 -10.979 -17.880 -1.975
54 2HB PRO 7 2HB PRO 7 -12.434 -17.151 -1.834
55 1HG PRO 7 1HG PRO 7 -9.846 -15.878 -1.968
56 2HG PRO 7 2HG PRO 7 -11.213 -15.426 -2.739
57 1HD PRO 7 1HD PRO 7 -10.463 -14.223 -0.523
58 2HD PRO 7 2HD PRO 7 -12.047 -14.376 -0.891
59 H ARG 8 H ARG 8 -11.391 -19.572 1.069
60 HA ARG 8 HA ARG 8 -8.455 -19.930 1.296
61 1HB ARG 8 1HB ARG 8 -9.521 -19.341 3.401
62 2HB ARG 8 2HB ARG 8 -10.344 -20.748 3.296
63 1HG ARG 8 1HG ARG 8 -8.275 -21.944 3.408
64 2HG ARG 8 2HG ARG 8 -7.481 -20.526 3.572
65 1HD ARG 8 1HD ARG 8 -9.402 -21.357 5.545
66 2HD ARG 8 2HD ARG 8 -7.845 -21.839 5.644
67 HE ARG 8 HE ARG 8 -7.881 -19.063 5.395
68 1HH1 ARG 8 1HH1 ARG 8 -8.564 -21.480 7.899
69 2HH1 ARG 8 2HH1 ARG 8 -8.259 -20.343 9.169
70 1HH2 ARG 8 1HH2 ARG 8 -7.527 -17.716 7.082
71 2HH2 ARG 8 2HH2 ARG 8 -7.687 -18.265 8.716
72 H ARG 9 H ARG 9 -8.153 -21.118 -0.587
73 HA ARG 9 HA ARG 9 -9.237 -23.830 -0.548
74 1HB ARG 9 1HB ARG 9 -9.833 -23.879 -2.760
75 2HB ARG 9 2HB ARG 9 -10.707 -22.750 -1.968
76 1HG ARG 9 1HG ARG 9 -9.491 -21.031 -3.040
77 2HG ARG 9 2HG ARG 9 -8.564 -22.141 -3.798
78 1HD ARG 9 1HD ARG 9 -10.474 -22.886 -5.033
79 2HD ARG 9 2HD ARG 9 -11.395 -21.767 -4.280
80 HE ARG 9 HE ARG 9 -9.277 -20.399 -5.427
81 1HH1 ARG 9 1HH1 ARG 9 -12.139 -22.124 -6.621
82 2HH1 ARG 9 2HH1 ARG 9 -12.167 -21.196 -8.083
83 1HH2 ARG 9 1HH2 ARG 9 -9.413 -19.294 -7.308
84 2HH2 ARG 9 2HH2 ARG 9 -10.661 -19.633 -8.461
85 HA PRO 10 HA PRO 10 -4.743 -24.288 -1.299
86 1HB PRO 10 1HB PRO 10 -5.177 -27.090 -0.843
87 2HB PRO 10 2HB PRO 10 -4.117 -26.126 -0.060
88 1HG PRO 10 1HG PRO 10 -6.219 -26.930 1.202
89 2HG PRO 10 2HG PRO 10 -5.708 -25.397 1.437
90 1HD PRO 10 1HD PRO 10 -7.858 -26.271 -0.300
91 2HD PRO 10 2HD PRO 10 -7.877 -25.001 0.727
92 H TYR 11 H TYR 11 -3.742 -24.103 -3.146
93 HA TYR 11 HA TYR 11 -5.013 -25.224 -5.457
94 1HB TYR 11 1HB TYR 11 -3.950 -22.974 -5.313
95 2HB TYR 11 2HB TYR 11 -2.512 -23.742 -5.414
96 HD1 TYR 11 HD1 TYR 11 -1.716 -24.649 -7.559
97 HD2 TYR 11 HD2 TYR 11 -5.403 -22.759 -7.299
98 HE1 TYR 11 HE1 TYR 11 -1.876 -24.624 -9.943
99 HE2 TYR 11 HE2 TYR 11 -5.547 -22.719 -9.685
100 HH TYR 11 HH TYR 11 -4.654 -23.215 -11.654
101 H ILE 12 H ILE 12 -2.015 -26.155 -3.920
102 HA ILE 12 HA ILE 12 -1.419 -28.153 -5.919
103 HB ILE 12 HB ILE 12 -0.232 -27.594 -3.392
104 1HG1 ILE 12 1HG1 ILE 12 1.183 -26.983 -5.844
105 2HG1 ILE 12 2HG1 ILE 12 0.072 -25.923 -5.287
106 1HG2 ILE 12 1HG2 ILE 12 1.745 -28.867 -4.062
107 2HG2 ILE 12 2HG2 ILE 12 0.944 -29.336 -5.405
108 3HG2 ILE 12 3HG2 ILE 12 0.422 -29.816 -3.935
109 1HD1 ILE 12 1HD1 ILE 12 2.252 -25.228 -4.656
110 2HD1 ILE 12 2HD1 ILE 12 2.489 -26.645 -3.880
111 3HD1 ILE 12 3HD1 ILE 12 1.379 -25.585 -3.323
112 H LEU 13 H LEU 13 -3.463 -28.436 -3.154
113 HA LEU 13 HA LEU 13 -4.073 -31.134 -4.033
114 1HB LEU 13 1HB LEU 13 -3.532 -30.480 -1.284
115 2HB LEU 13 2HB LEU 13 -4.349 -31.829 -1.709
116 HG LEU 13 HG LEU 13 -1.660 -31.392 -2.584
117 1HD1 LEU 13 1HD1 LEU 13 -0.887 -32.737 -0.737
118 2HD1 LEU 13 2HD1 LEU 13 -2.409 -32.774 -0.145
119 3HD1 LEU 13 3HD1 LEU 13 -1.587 -31.364 -0.199
120 1HD2 LEU 13 1HD2 LEU 13 -1.570 -33.762 -2.868
121 2HD2 LEU 13 2HD2 LEU 13 -2.765 -33.109 -3.769
122 3HD2 LEU 13 3HD2 LEU 13 -3.121 -33.872 -2.370
123 HXT LEU 13 HXT LEU 13 -6.905 -29.041 -2.224
Start of MODEL 12
1 HN PCA 1 HN PCA 1 -22.190 -1.458 8.359
2 HA PCA 1 HA PCA 1 -21.917 -3.431 10.078
3 1HB PCA 1 1HB PCA 1 -23.387 -5.165 9.597
4 2HB PCA 1 2HB PCA 1 -23.179 -4.982 7.987
5 1HG PCA 1 1HG PCA 1 -25.235 -3.989 8.110
6 2HG PCA 1 2HG PCA 1 -25.038 -3.582 9.680
7 H LEU 2 H LEU 2 -20.108 -4.788 10.018
8 HA LEU 2 HA LEU 2 -18.229 -4.242 8.003
9 1HB LEU 2 1HB LEU 2 -17.616 -2.931 9.983
10 2HB LEU 2 2HB LEU 2 -17.509 -4.342 10.798
11 HG LEU 2 HG LEU 2 -15.769 -4.960 9.177
12 1HD1 LEU 2 1HD1 LEU 2 -14.556 -3.176 8.134
13 2HD1 LEU 2 2HD1 LEU 2 -15.690 -2.119 8.646
14 3HD1 LEU 2 3HD1 LEU 2 -16.079 -3.266 7.551
15 1HD2 LEU 2 1HD2 LEU 2 -14.041 -3.821 10.438
16 2HD2 LEU 2 2HD2 LEU 2 -15.195 -4.402 11.437
17 3HD2 LEU 2 3HD2 LEU 2 -15.172 -2.816 11.049
18 H TYR 3 H TYR 3 -18.079 -6.091 6.901
19 HA TYR 3 HA TYR 3 -17.901 -8.611 8.394
20 1HB TYR 3 1HB TYR 3 -19.233 -9.748 6.915
21 2HB TYR 3 2HB TYR 3 -20.081 -8.506 7.551
22 HD1 TYR 3 HD1 TYR 3 -20.919 -6.691 6.122
23 HD2 TYR 3 HD2 TYR 3 -18.772 -9.858 4.512
24 HE1 TYR 3 HE1 TYR 3 -21.494 -5.966 3.916
25 HE2 TYR 3 HE2 TYR 3 -19.331 -9.114 2.309
26 HH TYR 3 HH TYR 3 -20.358 -7.655 0.999
27 H GLU 4 H GLU 4 -15.941 -9.567 8.182
28 HA GLU 4 HA GLU 4 -14.371 -9.031 5.804
29 1HB GLU 4 1HB GLU 4 -13.666 -10.280 8.300
30 2HB GLU 4 2HB GLU 4 -12.642 -10.279 7.028
31 1HG GLU 4 1HG GLU 4 -12.525 -7.894 7.140
32 2HG GLU 4 2HG GLU 4 -13.519 -7.916 8.436
33 H ASN 5 H ASN 5 -14.483 -10.270 3.999
34 HA ASN 5 HA ASN 5 -14.876 -13.186 4.260
35 1HB ASN 5 1HB ASN 5 -16.900 -11.993 3.567
36 2HB ASN 5 2HB ASN 5 -16.099 -11.594 2.200
37 1HD2 ASN 5 1HD2 ASN 5 -15.835 -13.127 0.497
38 2HD2 ASN 5 2HD2 ASN 5 -16.631 -14.663 0.575
39 H LYS 6 H LYS 6 -13.008 -14.188 3.774
40 HA LYS 6 HA LYS 6 -11.611 -13.406 1.321
41 1HB LYS 6 1HB LYS 6 -9.518 -13.601 2.270
42 2HB LYS 6 2HB LYS 6 -10.370 -12.431 3.027
43 1HG LYS 6 1HG LYS 6 -10.674 -13.891 4.892
44 2HG LYS 6 2HG LYS 6 -9.764 -15.018 4.138
45 1HD LYS 6 1HD LYS 6 -8.633 -12.463 4.784
46 2HD LYS 6 2HD LYS 6 -8.673 -13.647 5.908
47 1HE LYS 6 1HE LYS 6 -7.308 -15.017 4.494
48 2HE LYS 6 2HE LYS 6 -7.242 -13.804 3.401
49 1HZ LYS 6 1HZ LYS 6 -5.306 -13.806 4.737
50 2HZ LYS 6 2HZ LYS 6 -6.228 -13.650 6.075
51 3HZ LYS 6 3HZ LYS 6 -6.162 -12.438 4.983
52 HA PRO 7 HA PRO 7 -12.324 -17.843 0.735
53 1HB PRO 7 1HB PRO 7 -11.059 -17.442 -1.842
54 2HB PRO 7 2HB PRO 7 -12.511 -18.140 -1.573
55 1HG PRO 7 1HG PRO 7 -12.459 -15.767 -2.575
56 2HG PRO 7 2HG PRO 7 -13.592 -16.110 -1.450
57 1HD PRO 7 1HD PRO 7 -11.112 -14.678 -1.052
58 2HD PRO 7 2HD PRO 7 -12.575 -14.312 -0.426
59 H ARG 8 H ARG 8 -11.413 -19.668 1.307
60 HA ARG 8 HA ARG 8 -8.479 -19.863 1.094
61 1HB ARG 8 1HB ARG 8 -8.255 -20.727 3.175
62 2HB ARG 8 2HB ARG 8 -8.954 -19.255 3.276
63 1HG ARG 8 1HG ARG 8 -11.027 -20.270 3.814
64 2HG ARG 8 2HG ARG 8 -10.338 -21.746 3.701
65 1HD ARG 8 1HD ARG 8 -10.396 -21.383 5.949
66 2HD ARG 8 2HD ARG 8 -8.858 -20.991 5.561
67 HE ARG 8 HE ARG 8 -10.565 -18.726 5.476
68 1HH1 ARG 8 1HH1 ARG 8 -8.503 -20.574 7.694
69 2HH1 ARG 8 2HH1 ARG 8 -8.443 -19.268 8.830
70 1HH2 ARG 8 1HH2 ARG 8 -10.459 -17.167 7.006
71 2HH2 ARG 8 2HH2 ARG 8 -9.524 -17.386 8.448
72 H ARG 9 H ARG 9 -8.405 -20.997 -0.806
73 HA ARG 9 HA ARG 9 -9.296 -23.793 -0.634
74 1HB ARG 9 1HB ARG 9 -9.898 -23.846 -2.844
75 2HB ARG 9 2HB ARG 9 -10.758 -22.687 -2.080
76 1HG ARG 9 1HG ARG 9 -9.491 -21.010 -3.164
77 2HG ARG 9 2HG ARG 9 -8.587 -22.154 -3.901
78 1HD ARG 9 1HD ARG 9 -10.542 -22.891 -5.097
79 2HD ARG 9 2HD ARG 9 -11.399 -21.687 -4.402
80 HE ARG 9 HE ARG 9 -9.288 -21.321 -6.376
81 1HH1 ARG 9 1HH1 ARG 9 -11.995 -19.804 -4.652
82 2HH1 ARG 9 2HH1 ARG 9 -11.946 -18.411 -5.681
83 1HH2 ARG 9 1HH2 ARG 9 -9.334 -19.527 -7.610
84 2HH2 ARG 9 2HH2 ARG 9 -10.477 -18.260 -7.313
85 HA PRO 10 HA PRO 10 -4.812 -24.252 -1.301
86 1HB PRO 10 1HB PRO 10 -5.280 -27.057 -0.844
87 2HB PRO 10 2HB PRO 10 -4.209 -26.107 -0.057
88 1HG PRO 10 1HG PRO 10 -6.329 -26.864 1.197
89 2HG PRO 10 2HG PRO 10 -5.805 -25.333 1.414
90 1HD PRO 10 1HD PRO 10 -7.949 -26.211 -0.326
91 2HD PRO 10 2HD PRO 10 -7.964 -24.926 0.681
92 H TYR 11 H TYR 11 -3.752 -24.094 -3.120
93 HA TYR 11 HA TYR 11 -4.978 -25.221 -5.453
94 1HB TYR 11 1HB TYR 11 -3.928 -22.969 -5.305
95 2HB TYR 11 2HB TYR 11 -2.486 -23.732 -5.379
96 HD1 TYR 11 HD1 TYR 11 -5.350 -22.769 -7.317
97 HD2 TYR 11 HD2 TYR 11 -1.657 -24.657 -7.503
98 HE1 TYR 11 HE1 TYR 11 -5.457 -22.749 -9.706
99 HE2 TYR 11 HE2 TYR 11 -1.780 -24.653 -9.890
100 HH TYR 11 HH TYR 11 -2.858 -24.128 -11.729
101 H ILE 12 H ILE 12 -1.977 -26.168 -3.873
102 HA ILE 12 HA ILE 12 -1.464 -28.059 -5.875
103 HB ILE 12 HB ILE 12 0.275 -28.934 -4.450
104 1HG1 ILE 12 1HG1 ILE 12 -0.021 -26.839 -2.541
105 2HG1 ILE 12 2HG1 ILE 12 -0.765 -28.277 -2.322
106 1HG2 ILE 12 1HG2 ILE 12 1.761 -27.013 -4.615
107 2HG2 ILE 12 2HG2 ILE 12 0.463 -26.079 -4.943
108 3HG2 ILE 12 3HG2 ILE 12 0.911 -27.250 -5.989
109 1HD1 ILE 12 1HD1 ILE 12 1.280 -28.222 -1.108
110 2HD1 ILE 12 2HD1 ILE 12 2.101 -27.930 -2.489
111 3HD1 ILE 12 3HD1 ILE 12 1.358 -29.367 -2.270
112 H LEU 13 H LEU 13 -3.548 -28.532 -3.226
113 HA LEU 13 HA LEU 13 -4.058 -31.233 -4.157
114 1HB LEU 13 1HB LEU 13 -3.573 -30.659 -1.385
115 2HB LEU 13 2HB LEU 13 -4.332 -32.019 -1.879
116 HG LEU 13 HG LEU 13 -1.641 -31.448 -2.666
117 1HD1 LEU 13 1HD1 LEU 13 -0.869 -32.858 -0.865
118 2HD1 LEU 13 2HD1 LEU 13 -2.403 -32.975 -0.318
119 3HD1 LEU 13 3HD1 LEU 13 -1.630 -31.537 -0.281
120 1HD2 LEU 13 1HD2 LEU 13 -1.453 -33.799 -3.057
121 2HD2 LEU 13 2HD2 LEU 13 -2.645 -33.147 -3.963
122 3HD2 LEU 13 3HD2 LEU 13 -3.012 -33.988 -2.612
123 HXT LEU 13 HXT LEU 13 -6.935 -29.201 -2.335
Start of MODEL 13
1 HN PCA 1 HN PCA 1 -22.785 -16.575 20.759
2 HA PCA 1 HA PCA 1 -20.577 -17.432 19.933
3 1HB PCA 1 1HB PCA 1 -21.250 -19.575 18.474
4 2HB PCA 1 2HB PCA 1 -20.904 -19.721 20.064
5 1HG PCA 1 1HG PCA 1 -23.481 -19.798 18.829
6 2HG PCA 1 2HG PCA 1 -23.034 -20.480 20.244
7 H LEU 2 H LEU 2 -19.545 -16.728 18.048
8 HA LEU 2 HA LEU 2 -20.831 -15.645 15.975
9 1HB LEU 2 1HB LEU 2 -21.261 -13.803 17.496
10 2HB LEU 2 2HB LEU 2 -19.645 -13.590 17.600
11 HG LEU 2 HG LEU 2 -19.704 -13.191 15.178
12 1HD1 LEU 2 1HD1 LEU 2 -21.754 -12.370 14.249
13 2HD1 LEU 2 2HD1 LEU 2 -22.530 -12.780 15.626
14 3HD1 LEU 2 3HD1 LEU 2 -21.891 -13.941 14.672
15 1HD2 LEU 2 1HD2 LEU 2 -20.276 -10.852 15.473
16 2HD2 LEU 2 2HD2 LEU 2 -19.353 -11.380 16.712
17 3HD2 LEU 2 3HD2 LEU 2 -20.966 -11.219 16.906
18 H TYR 3 H TYR 3 -19.534 -16.684 14.537
19 HA TYR 3 HA TYR 3 -16.650 -16.233 14.716
20 1HB TYR 3 1HB TYR 3 -16.112 -18.420 14.224
21 2HB TYR 3 2HB TYR 3 -16.985 -18.369 15.604
22 HD1 TYR 3 HD1 TYR 3 -16.991 -19.557 12.220
23 HD2 TYR 3 HD2 TYR 3 -19.141 -19.504 15.771
24 HE1 TYR 3 HE1 TYR 3 -18.483 -21.208 11.344
25 HE2 TYR 3 HE2 TYR 3 -20.617 -21.171 14.897
26 HH TYR 3 HH TYR 3 -21.223 -22.483 13.241
27 H GLU 4 H GLU 4 -15.739 -15.316 12.951
28 HA GLU 4 HA GLU 4 -17.204 -15.341 10.451
29 1HB GLU 4 1HB GLU 4 -14.885 -13.848 11.288
30 2HB GLU 4 2HB GLU 4 -15.421 -13.803 9.746
31 1HG GLU 4 1HG GLU 4 -17.444 -12.783 10.480
32 2HG GLU 4 2HG GLU 4 -16.905 -12.825 12.021
33 H ASN 5 H ASN 5 -16.958 -16.922 8.945
34 HA ASN 5 HA ASN 5 -14.452 -18.440 8.787
35 1HB ASN 5 1HB ASN 5 -16.674 -19.496 8.868
36 2HB ASN 5 2HB ASN 5 -16.912 -18.913 7.361
37 1HD2 ASN 5 1HD2 ASN 5 -15.300 -21.334 9.226
38 2HD2 ASN 5 2HD2 ASN 5 -14.732 -22.259 7.876
39 H LYS 6 H LYS 6 -12.765 -17.654 7.689
40 HA LYS 6 HA LYS 6 -13.190 -16.033 5.334
41 1HB LYS 6 1HB LYS 6 -10.751 -16.840 6.670
42 2HB LYS 6 2HB LYS 6 -10.754 -15.892 5.340
43 1HG LYS 6 1HG LYS 6 -11.965 -15.010 7.785
44 2HG LYS 6 2HG LYS 6 -10.373 -14.780 7.501
45 1HD LYS 6 1HD LYS 6 -12.367 -13.678 5.758
46 2HD LYS 6 2HD LYS 6 -11.858 -12.866 7.081
47 1HE LYS 6 1HE LYS 6 -10.033 -13.585 4.979
48 2HE LYS 6 2HE LYS 6 -10.855 -12.174 4.951
49 1HZ LYS 6 1HZ LYS 6 -8.705 -11.850 5.828
50 2HZ LYS 6 2HZ LYS 6 -9.010 -12.950 6.995
51 3HZ LYS 6 3HZ LYS 6 -9.831 -11.539 6.968
52 HA PRO 7 HA PRO 7 -12.739 -19.808 2.784
53 1HB PRO 7 1HB PRO 7 -13.480 -18.863 0.432
54 2HB PRO 7 2HB PRO 7 -14.616 -19.128 1.576
55 1HG PRO 7 1HG PRO 7 -13.408 -16.604 0.860
56 2HG PRO 7 2HG PRO 7 -14.988 -16.897 1.157
57 1HD PRO 7 1HD PRO 7 -13.437 -15.855 3.013
58 2HD PRO 7 2HD PRO 7 -14.699 -16.809 3.417
59 H ARG 8 H ARG 8 -10.997 -20.823 2.401
60 HA ARG 8 HA ARG 8 -8.877 -19.558 0.770
61 1HB ARG 8 1HB ARG 8 -8.403 -19.401 3.146
62 2HB ARG 8 2HB ARG 8 -8.384 -21.034 3.187
63 1HG ARG 8 1HG ARG 8 -6.193 -20.560 3.119
64 2HG ARG 8 2HG ARG 8 -6.514 -20.833 1.541
65 1HD ARG 8 1HD ARG 8 -6.558 -18.486 1.138
66 2HD ARG 8 2HD ARG 8 -6.251 -18.206 2.718
67 HE ARG 8 HE ARG 8 -4.356 -19.307 0.801
68 1HH1 ARG 8 1HH1 ARG 8 -4.782 -17.989 4.073
69 2HH1 ARG 8 2HH1 ARG 8 -3.071 -17.856 4.306
70 1HH2 ARG 8 1HH2 ARG 8 -2.226 -19.079 1.212
71 2HH2 ARG 8 2HH2 ARG 8 -1.664 -18.458 2.728
72 H ARG 9 H ARG 9 -9.095 -20.681 -1.173
73 HA ARG 9 HA ARG 9 -9.517 -23.549 -1.103
74 1HB ARG 9 1HB ARG 9 -9.864 -23.464 -3.376
75 2HB ARG 9 2HB ARG 9 -10.747 -22.286 -2.667
76 1HG ARG 9 1HG ARG 9 -9.219 -20.658 -3.480
77 2HG ARG 9 2HG ARG 9 -8.348 -21.838 -4.199
78 1HD ARG 9 1HD ARG 9 -11.069 -21.337 -4.983
79 2HD ARG 9 2HD ARG 9 -9.834 -20.520 -5.671
80 HE ARG 9 HE ARG 9 -9.352 -23.285 -5.846
81 1HH1 ARG 9 1HH1 ARG 9 -11.310 -20.800 -7.456
82 2HH1 ARG 9 2HH1 ARG 9 -11.379 -21.714 -8.926
83 1HH2 ARG 9 1HH2 ARG 9 -9.494 -24.339 -7.763
84 2HH2 ARG 9 2HH2 ARG 9 -10.376 -23.667 -9.093
85 HA PRO 10 HA PRO 10 -5.037 -24.269 -1.356
86 1HB PRO 10 1HB PRO 10 -4.981 -26.832 -0.770
87 2HB PRO 10 2HB PRO 10 -5.234 -25.747 0.425
88 1HG PRO 10 1HG PRO 10 -7.206 -27.363 -0.918
89 2HG PRO 10 2HG PRO 10 -7.117 -27.027 0.678
90 1HD PRO 10 1HD PRO 10 -8.763 -25.711 -0.918
91 2HD PRO 10 2HD PRO 10 -8.151 -25.020 0.429
92 H TYR 11 H TYR 11 -3.937 -24.071 -3.124
93 HA TYR 11 HA TYR 11 -4.975 -25.258 -5.516
94 1HB TYR 11 1HB TYR 11 -3.985 -22.990 -5.346
95 2HB TYR 11 2HB TYR 11 -2.525 -23.719 -5.269
96 HD1 TYR 11 HD1 TYR 11 -5.219 -22.868 -7.488
97 HD2 TYR 11 HD2 TYR 11 -1.481 -24.665 -7.282
98 HE1 TYR 11 HE1 TYR 11 -5.097 -22.895 -9.875
99 HE2 TYR 11 HE2 TYR 11 -1.375 -24.706 -9.669
100 HH TYR 11 HH TYR 11 -2.282 -24.241 -11.613
101 H ILE 12 H ILE 12 -2.062 -26.116 -3.723
102 HA ILE 12 HA ILE 12 -1.409 -28.054 -5.636
103 HB ILE 12 HB ILE 12 0.252 -28.871 -4.096
104 1HG1 ILE 12 1HG1 ILE 12 -0.156 -26.739 -2.254
105 2HG1 ILE 12 2HG1 ILE 12 -0.917 -28.169 -2.046
106 1HG2 ILE 12 1HG2 ILE 12 1.725 -26.937 -4.219
107 2HG2 ILE 12 2HG2 ILE 12 0.438 -26.026 -4.643
108 3HG2 ILE 12 3HG2 ILE 12 0.958 -27.215 -5.633
109 1HD1 ILE 12 1HD1 ILE 12 1.059 -28.095 -0.722
110 2HD1 ILE 12 2HD1 ILE 12 1.957 -27.835 -2.061
111 3HD1 ILE 12 3HD1 ILE 12 1.196 -29.265 -1.852
112 H LEU 13 H LEU 13 -3.651 -28.477 -3.110
113 HA LEU 13 HA LEU 13 -4.064 -31.214 -3.984
114 1HB LEU 13 1HB LEU 13 -3.775 -30.535 -1.208
115 2HB LEU 13 2HB LEU 13 -4.487 -31.920 -1.699
116 HG LEU 13 HG LEU 13 -1.756 -31.349 -2.331
117 1HD1 LEU 13 1HD1 LEU 13 -1.089 -32.680 -0.431
118 2HD1 LEU 13 2HD1 LEU 13 -2.654 -32.794 0.020
119 3HD1 LEU 13 3HD1 LEU 13 -1.898 -31.346 0.051
120 1HD2 LEU 13 1HD2 LEU 13 -1.524 -33.711 -2.617
121 2HD2 LEU 13 2HD2 LEU 13 -2.660 -33.107 -3.622
122 3HD2 LEU 13 3HD2 LEU 13 -3.107 -33.900 -2.266
123 HXT LEU 13 HXT LEU 13 -7.091 -29.185 -2.431
Start of MODEL 14
1 HN PCA 1 HN PCA 1 -23.968 -3.289 8.314
2 HA PCA 1 HA PCA 1 -21.590 -2.943 9.030
3 1HB PCA 1 1HB PCA 1 -21.616 -3.822 11.170
4 2HB PCA 1 2HB PCA 1 -21.040 -5.160 10.433
5 1HG PCA 1 1HG PCA 1 -23.039 -6.226 10.574
6 2HG PCA 1 2HG PCA 1 -23.368 -5.140 11.749
7 H LEU 2 H LEU 2 -19.781 -3.514 7.788
8 HA LEU 2 HA LEU 2 -20.242 -5.205 5.625
9 1HB LEU 2 1HB LEU 2 -19.220 -2.540 5.308
10 2HB LEU 2 2HB LEU 2 -18.841 -3.728 4.253
11 HG LEU 2 HG LEU 2 -21.278 -3.880 3.878
12 1HD1 LEU 2 1HD1 LEU 2 -22.525 -1.844 4.110
13 2HD1 LEU 2 2HD1 LEU 2 -21.267 -1.183 4.913
14 3HD1 LEU 2 3HD1 LEU 2 -22.082 -2.438 5.565
15 1HD2 LEU 2 1HD2 LEU 2 -21.165 -2.171 2.137
16 2HD2 LEU 2 2HD2 LEU 2 -19.793 -3.054 2.173
17 3HD2 LEU 2 3HD2 LEU 2 -19.825 -1.569 2.849
18 H TYR 3 H TYR 3 -18.790 -6.849 5.868
19 HA TYR 3 HA TYR 3 -16.118 -6.245 6.884
20 1HB TYR 3 1HB TYR 3 -16.075 -8.078 8.294
21 2HB TYR 3 2HB TYR 3 -17.309 -7.096 8.719
22 HD1 TYR 3 HD1 TYR 3 -16.500 -10.365 7.499
23 HD2 TYR 3 HD2 TYR 3 -19.631 -7.872 8.604
24 HE1 TYR 3 HE1 TYR 3 -17.994 -12.232 7.489
25 HE2 TYR 3 HE2 TYR 3 -21.118 -9.745 8.600
26 HH TYR 3 HH TYR 3 -21.453 -11.895 8.293
27 H GLU 4 H GLU 4 -14.370 -7.069 5.800
28 HA GLU 4 HA GLU 4 -14.921 -8.628 3.454
29 1HB GLU 4 1HB GLU 4 -12.717 -8.233 2.809
30 2HB GLU 4 2HB GLU 4 -13.433 -6.831 3.242
31 1HG GLU 4 1HG GLU 4 -12.162 -6.750 5.216
32 2HG GLU 4 2HG GLU 4 -11.505 -8.208 4.883
33 H ASN 5 H ASN 5 -14.767 -10.697 2.980
34 HA ASN 5 HA ASN 5 -13.295 -12.505 4.795
35 1HB ASN 5 1HB ASN 5 -15.715 -12.528 5.153
36 2HB ASN 5 2HB ASN 5 -15.855 -13.126 3.640
37 1HD2 ASN 5 1HD2 ASN 5 -15.371 -15.347 3.195
38 2HD2 ASN 5 2HD2 ASN 5 -15.082 -16.446 4.502
39 H LYS 6 H LYS 6 -11.502 -13.171 3.720
40 HA LYS 6 HA LYS 6 -11.607 -13.662 0.864
41 1HB LYS 6 1HB LYS 6 -9.428 -13.805 2.762
42 2HB LYS 6 2HB LYS 6 -9.235 -14.140 1.175
43 1HG LYS 6 1HG LYS 6 -10.023 -11.514 2.012
44 2HG LYS 6 2HG LYS 6 -8.445 -11.935 1.981
45 1HD LYS 6 1HD LYS 6 -8.596 -12.308 -0.367
46 2HD LYS 6 2HD LYS 6 -10.170 -11.872 -0.332
47 1HE LYS 6 1HE LYS 6 -9.128 -10.010 -1.132
48 2HE LYS 6 2HE LYS 6 -9.360 -9.657 0.445
49 1HZ LYS 6 1HZ LYS 6 -7.191 -9.064 -0.214
50 2HZ LYS 6 2HZ LYS 6 -6.904 -10.604 -0.672
51 3HZ LYS 6 3HZ LYS 6 -7.136 -10.251 0.905
52 HA PRO 7 HA PRO 7 -12.396 -18.071 1.808
53 1HB PRO 7 1HB PRO 7 -13.062 -18.934 -0.607
54 2HB PRO 7 2HB PRO 7 -14.133 -18.037 0.239
55 1HG PRO 7 1HG PRO 7 -12.388 -17.141 -1.879
56 2HG PRO 7 2HG PRO 7 -13.960 -16.753 -1.659
57 1HD PRO 7 1HD PRO 7 -12.043 -15.115 -0.895
58 2HD PRO 7 2HD PRO 7 -13.469 -15.162 -0.101
59 H ARG 8 H ARG 8 -11.045 -19.544 2.418
60 HA ARG 8 HA ARG 8 -8.549 -19.784 0.973
61 1HB ARG 8 1HB ARG 8 -7.698 -20.916 2.788
62 2HB ARG 8 2HB ARG 8 -8.422 -19.544 3.301
63 1HG ARG 8 1HG ARG 8 -10.200 -20.793 4.211
64 2HG ARG 8 2HG ARG 8 -9.545 -22.176 3.641
65 1HD ARG 8 1HD ARG 8 -8.977 -22.193 5.855
66 2HD ARG 8 2HD ARG 8 -7.614 -21.668 5.123
67 HE ARG 8 HE ARG 8 -9.339 -19.551 5.966
68 1HH1 ARG 8 1HH1 ARG 8 -6.516 -21.459 6.957
69 2HH1 ARG 8 2HH1 ARG 8 -6.092 -20.309 8.181
70 1HH2 ARG 8 1HH2 ARG 8 -8.729 -18.196 7.563
71 2HH2 ARG 8 2HH2 ARG 8 -7.315 -18.507 8.515
72 H ARG 9 H ARG 9 -8.193 -21.007 -0.716
73 HA ARG 9 HA ARG 9 -9.392 -23.711 -0.881
74 1HB ARG 9 1HB ARG 9 -10.597 -22.094 -2.229
75 2HB ARG 9 2HB ARG 9 -9.217 -21.840 -3.064
76 1HG ARG 9 1HG ARG 9 -9.285 -24.094 -3.841
77 2HG ARG 9 2HG ARG 9 -10.682 -24.325 -3.027
78 1HD ARG 9 1HD ARG 9 -10.537 -22.351 -5.108
79 2HD ARG 9 2HD ARG 9 -10.844 -23.912 -5.477
80 HE ARG 9 HE ARG 9 -12.959 -23.804 -4.447
81 1HH1 ARG 9 1HH1 ARG 9 -11.343 -20.648 -4.365
82 2HH1 ARG 9 2HH1 ARG 9 -12.838 -19.820 -4.081
83 1HH2 ARG 9 1HH2 ARG 9 -14.782 -22.654 -4.131
84 2HH2 ARG 9 2HH2 ARG 9 -14.739 -20.932 -3.952
85 HA PRO 10 HA PRO 10 -4.868 -24.261 -1.340
86 1HB PRO 10 1HB PRO 10 -5.421 -27.044 -0.846
87 2HB PRO 10 2HB PRO 10 -4.351 -26.107 -0.043
88 1HG PRO 10 1HG PRO 10 -6.529 -26.793 1.157
89 2HG PRO 10 2HG PRO 10 -5.968 -25.274 1.371
90 1HD PRO 10 1HD PRO 10 -8.088 -26.115 -0.415
91 2HD PRO 10 2HD PRO 10 -8.089 -24.812 0.570
92 H TYR 11 H TYR 11 -3.825 -24.088 -3.163
93 HA TYR 11 HA TYR 11 -5.013 -25.279 -5.486
94 1HB TYR 11 1HB TYR 11 -4.024 -23.000 -5.367
95 2HB TYR 11 2HB TYR 11 -2.561 -23.725 -5.414
96 HD1 TYR 11 HD1 TYR 11 -1.691 -24.673 -7.514
97 HD2 TYR 11 HD2 TYR 11 -5.419 -22.852 -7.397
98 HE1 TYR 11 HE1 TYR 11 -1.796 -24.725 -9.901
99 HE2 TYR 11 HE2 TYR 11 -5.506 -22.884 -9.786
100 HH TYR 11 HH TYR 11 -4.578 -23.417 -11.708
101 H ILE 12 H ILE 12 -2.014 -26.144 -3.864
102 HA ILE 12 HA ILE 12 -1.456 -28.060 -5.833
103 HB ILE 12 HB ILE 12 0.311 -28.857 -4.397
104 1HG1 ILE 12 1HG1 ILE 12 -0.045 -26.756 -2.507
105 2HG1 ILE 12 2HG1 ILE 12 -0.771 -28.201 -2.281
106 1HG2 ILE 12 1HG2 ILE 12 1.745 -26.903 -4.565
107 2HG2 ILE 12 2HG2 ILE 12 0.426 -26.005 -4.911
108 3HG2 ILE 12 3HG2 ILE 12 0.911 -27.174 -5.943
109 1HD1 ILE 12 1HD1 ILE 12 1.261 -28.109 -1.050
110 2HD1 ILE 12 2HD1 ILE 12 2.091 -27.818 -2.426
111 3HD1 ILE 12 3HD1 ILE 12 1.364 -29.263 -2.200
112 H LEU 13 H LEU 13 -3.632 -28.507 -3.299
113 HA LEU 13 HA LEU 13 -4.016 -31.278 -4.128
114 1HB LEU 13 1HB LEU 13 -2.641 -31.320 -2.135
115 2HB LEU 13 2HB LEU 13 -3.885 -30.630 -1.331
116 HG LEU 13 HG LEU 13 -5.181 -32.626 -1.982
117 1HD1 LEU 13 1HD1 LEU 13 -3.943 -34.642 -2.359
118 2HD1 LEU 13 2HD1 LEU 13 -2.563 -33.771 -2.422
119 3HD1 LEU 13 3HD1 LEU 13 -3.706 -33.574 -3.571
120 1HD2 LEU 13 1HD2 LEU 13 -4.397 -33.882 -0.072
121 2HD2 LEU 13 2HD2 LEU 13 -4.508 -32.293 0.287
122 3HD2 LEU 13 3HD2 LEU 13 -3.052 -32.957 -0.035
123 HXT LEU 13 HXT LEU 13 -7.340 -30.369 -4.090