Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
27133 | 2p5j RC | 7388 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA LEU 1 HA LEU 1 2.005 0.980 -1.686
2 HG LEU 1 HG LEU 1 3.054 -1.758 0.514
3 H1 LEU 1 1H LEU 1 1.807 0.000 0.855
4 HB2 LEU 1 1HB LEU 1 4.083 -0.349 -1.902
5 HB3 LEU 1 2HB LEU 1 3.962 0.545 -0.388
6 HD11 LEU 1 1HD1 LEU 1 3.342 -3.561 -0.753
7 HD12 LEU 1 2HD1 LEU 1 4.987 -3.090 -1.176
8 HD13 LEU 1 3HD1 LEU 1 3.625 -2.463 -2.104
9 HD21 LEU 1 3HD2 LEU 1 5.576 -2.394 0.806
10 HD22 LEU 1 1HD2 LEU 1 4.924 -0.947 1.575
11 HD23 LEU 1 2HD2 LEU 1 5.848 -0.810 0.079
12 H GLY 2 H GLY 2 0.907 -2.177 -0.705
13 HA2 GLY 2 1HA GLY 2 0.834 -3.068 -3.506
14 HA3 GLY 2 2HA GLY 2 0.653 -4.104 -2.097
15 H ARG 3 H ARG 3 -1.099 -4.266 -4.223
16 HA ARG 3 HA ARG 3 -3.583 -3.413 -2.929
17 HE ARG 3 HE ARG 3 -1.755 -1.101 -7.109
18 HB2 ARG 3 1HB ARG 3 -3.180 -3.136 -5.906
19 HB3 ARG 3 2HB ARG 3 -4.535 -2.561 -4.943
20 HG2 ARG 3 1HG ARG 3 -3.000 -0.979 -3.813
21 HG3 ARG 3 2HG ARG 3 -1.717 -1.505 -4.905
22 HD2 ARG 3 1HD ARG 3 -4.313 -0.562 -6.035
23 HD3 ARG 3 2HD ARG 3 -3.143 0.621 -5.450
24 HH11 ARG 3 1HH1 ARG 3 -4.419 1.124 -7.376
25 HH12 ARG 3 2HH1 ARG 3 -4.105 1.504 -9.037
26 HH21 ARG 3 1HH2 ARG 3 -1.331 -0.609 -9.296
27 HH22 ARG 3 2HH2 ARG 3 -2.349 0.517 -10.128
28 H VAL 4 H VAL 4 -5.511 -4.482 -4.108
29 HA VAL 4 HA VAL 4 -4.773 -7.282 -4.645
30 HB VAL 4 HB VAL 4 -7.463 -6.277 -3.719
31 HG11 VAL 4 1HG1 VAL 4 -7.301 -8.847 -2.929
32 HG12 VAL 4 2HG1 VAL 4 -7.987 -8.339 -4.474
33 HG13 VAL 4 3HG1 VAL 4 -6.319 -8.908 -4.393
34 HG21 VAL 4 3HG2 VAL 4 -6.234 -7.719 -1.657
35 HG22 VAL 4 1HG2 VAL 4 -5.018 -6.582 -2.239
36 HG23 VAL 4 2HG2 VAL 4 -6.588 -5.991 -1.695
37 H ASP 5 H ASP 5 -4.404 -6.138 -6.867
38 HA ASP 5 HA ASP 5 -4.988 -6.070 -9.066
39 HB2 ASP 5 1HB ASP 5 -7.562 -7.455 -8.313
40 HB3 ASP 5 2HB ASP 5 -6.721 -7.495 -9.861
41 H ILE 6 H ILE 6 -6.238 -4.840 -10.533
42 HA ILE 6 HA ILE 6 -7.915 -2.828 -9.206
43 HB ILE 6 HB ILE 6 -6.615 -2.679 -11.928
44 HG12 ILE 6 1HG1 ILE 6 -5.288 -0.847 -10.508
45 HG13 ILE 6 2HG1 ILE 6 -5.679 -1.952 -9.195
46 HG21 ILE 6 1HG2 ILE 6 -7.100 -0.228 -11.636
47 HG22 ILE 6 2HG2 ILE 6 -8.512 -1.256 -11.873
48 HG23 ILE 6 3HG2 ILE 6 -8.109 -0.670 -10.259
49 HD11 ILE 6 3HD1 ILE 6 -3.624 -2.141 -11.157
50 HD12 ILE 6 1HD1 ILE 6 -3.936 -3.180 -9.766
51 HD13 ILE 6 2HD1 ILE 6 -4.708 -3.523 -11.315
52 H HIS 7 H HIS 7 -9.965 -2.366 -9.893
53 HA HIS 7 HA HIS 7 -11.480 -4.400 -11.078
54 HD1 HIS 7 HD1 HIS 7 -12.524 -4.911 -9.211
55 HD2 HIS 7 HD2 HIS 7 -15.356 -2.267 -10.711
56 HE1 HIS 7 HE1 HIS 7 -14.754 -5.879 -8.570
57 HB2 HIS 7 1HB HIS 7 -11.987 -1.929 -9.829
58 HB3 HIS 7 2HB HIS 7 -12.754 -1.835 -11.411
59 H VAL 8 H VAL 8 -10.773 -1.176 -12.439
60 HA VAL 8 HA VAL 8 -11.677 -1.803 -15.034
61 HB VAL 8 HB VAL 8 -10.496 0.234 -15.756
62 HG11 VAL 8 1HG1 VAL 8 -12.222 0.247 -13.321
63 HG12 VAL 8 2HG1 VAL 8 -11.576 1.768 -13.940
64 HG13 VAL 8 3HG1 VAL 8 -12.596 0.759 -14.967
65 HG21 VAL 8 3HG2 VAL 8 -8.522 -0.131 -14.243
66 HG22 VAL 8 1HG2 VAL 8 -9.140 1.521 -14.284
67 HG23 VAL 8 2HG2 VAL 8 -9.517 0.472 -12.917
68 H TRP 9 H TRP 9 -10.389 -1.945 -16.994
69 HA TRP 9 HA TRP 9 -7.655 -2.918 -16.648
70 HD1 TRP 9 HD1 TRP 9 -7.107 -4.756 -19.748
71 HE1 TRP 9 HE1 TRP 9 -5.234 -6.481 -19.370
72 HE3 TRP 9 HE3 TRP 9 -8.293 -6.213 -14.993
73 HZ2 TRP 9 HZ2 TRP 9 -4.375 -8.229 -17.327
74 HZ3 TRP 9 HZ3 TRP 9 -6.896 -7.917 -13.899
75 HH2 TRP 9 HH2 TRP 9 -4.978 -8.903 -15.043
76 HB2 TRP 9 1HB TRP 9 -9.434 -4.824 -16.653
77 HB3 TRP 9 2HB TRP 9 -9.531 -4.496 -18.381
78 H ASP 10 H ASP 10 -6.339 -2.145 -18.169
79 HA ASP 10 HA ASP 10 -5.582 -1.115 -20.051
80 HB2 ASP 10 1HB ASP 10 -6.764 -3.100 -21.107
81 HB3 ASP 10 2HB ASP 10 -8.125 -2.021 -21.401
82 H GLY 11 H GLY 11 -7.312 0.286 -18.137
83 HA2 GLY 11 1HA GLY 11 -7.586 2.692 -18.287
84 HA3 GLY 11 2HA GLY 11 -8.173 2.467 -19.928
85 H VAL 12 H VAL 12 -10.096 0.672 -19.820
86 HA VAL 12 HA VAL 12 -11.921 1.432 -17.652
87 HB VAL 12 HB VAL 12 -13.772 1.619 -19.358
88 HG11 VAL 12 1HG1 VAL 12 -13.533 3.877 -19.425
89 HG12 VAL 12 2HG1 VAL 12 -12.251 3.514 -18.267
90 HG13 VAL 12 3HG1 VAL 12 -11.856 3.796 -19.963
91 HG21 VAL 12 3HG2 VAL 12 -12.071 2.470 -21.517
92 HG22 VAL 12 1HG2 VAL 12 -11.751 0.785 -21.104
93 HG23 VAL 12 2HG2 VAL 12 -13.386 1.295 -21.525
94 H TYR 13 H TYR 13 -13.435 -0.112 -17.099
95 HA TYR 13 HA TYR 13 -12.785 -2.804 -17.713
96 HD1 TYR 13 HD1 TYR 13 -16.852 -3.186 -17.139
97 HD2 TYR 13 HD2 TYR 13 -13.277 -4.592 -15.309
98 HE1 TYR 13 HE1 TYR 13 -17.847 -5.425 -16.929
99 HE2 TYR 13 HE2 TYR 13 -14.262 -6.836 -15.095
100 HH TYR 13 HH TYR 13 -17.576 -7.441 -15.580
101 HB2 TYR 13 1HB TYR 13 -13.704 -2.213 -15.543
102 HB3 TYR 13 2HB TYR 13 -15.185 -1.628 -16.295
103 H ILE 14 H ILE 14 -13.210 -3.736 -19.597
104 HA ILE 14 HA ILE 14 -15.016 -2.837 -21.519
105 HB ILE 14 HB ILE 14 -14.006 -5.661 -21.158
106 HG12 ILE 14 1HG1 ILE 14 -12.866 -3.487 -22.917
107 HG13 ILE 14 2HG1 ILE 14 -12.261 -3.825 -21.299
108 HG21 ILE 14 1HG2 ILE 14 -14.301 -5.578 -23.731
109 HG22 ILE 14 2HG2 ILE 14 -15.714 -5.843 -22.710
110 HG23 ILE 14 3HG2 ILE 14 -15.405 -4.246 -23.390
111 HD11 ILE 14 3HD1 ILE 14 -10.953 -5.400 -22.117
112 HD12 ILE 14 1HD1 ILE 14 -12.359 -6.269 -22.732
113 HD13 ILE 14 2HD1 ILE 14 -11.559 -5.061 -23.738
114 H ARG 15 H ARG 15 -17.072 -3.468 -22.134
115 HA ARG 15 HA ARG 15 -18.819 -4.259 -20.024
116 HE ARG 15 HE ARG 15 -23.579 -4.090 -21.310
117 HB2 ARG 15 1HB ARG 15 -19.478 -2.677 -21.810
118 HB3 ARG 15 2HB ARG 15 -19.394 -3.988 -22.980
119 HG2 ARG 15 1HG ARG 15 -21.246 -5.093 -22.020
120 HG3 ARG 15 2HG ARG 15 -21.203 -4.068 -20.584
121 HD2 ARG 15 1HD ARG 15 -21.796 -2.129 -21.961
122 HD3 ARG 15 2HD ARG 15 -21.853 -3.165 -23.387
123 HH11 ARG 15 1HH1 ARG 15 -23.287 -1.789 -23.907
124 HH12 ARG 15 2HH1 ARG 15 -24.997 -1.654 -24.153
125 HH21 ARG 15 1HH2 ARG 15 -25.832 -3.920 -21.624
126 HH22 ARG 15 2HH2 ARG 15 -26.443 -2.866 -22.854
127 H GLY 16 H GLY 16 -20.073 -6.132 -19.837
128 HA2 GLY 16 1HA GLY 16 -20.431 -8.399 -19.881
129 HA3 GLY 16 2HA GLY 16 -20.146 -8.277 -21.611
130 H ARG 17 H ARG 17 -18.297 -9.077 -22.455
131 HA ARG 17 HA ARG 17 -16.548 -10.521 -20.625
132 HE ARG 17 HE ARG 17 -14.249 -14.252 -21.977
133 HB2 ARG 17 1HB ARG 17 -17.563 -11.531 -22.742
134 HB3 ARG 17 2HB ARG 17 -16.414 -10.544 -23.635
135 HG2 ARG 17 1HG ARG 17 -15.439 -12.676 -23.442
136 HG3 ARG 17 2HG ARG 17 -14.596 -11.649 -22.281
137 HD2 ARG 17 1HD ARG 17 -15.934 -12.545 -20.471
138 HD3 ARG 17 2HD ARG 17 -16.879 -13.502 -21.611
139 HH11 ARG 17 1HH1 ARG 17 -16.565 -14.270 -19.377
140 HH12 ARG 17 2HH1 ARG 17 -15.886 -15.666 -18.608
141 HH21 ARG 17 1HH2 ARG 17 -13.346 -16.091 -20.974
142 HH22 ARG 17 2HH2 ARG 17 -14.055 -16.701 -19.517
Start of MODEL 2
1 HA LEU 1 HA LEU 1 2.249 -0.502 -1.956
2 HG LEU 1 HG LEU 1 2.622 -0.950 0.307
3 H1 LEU 1 1H LEU 1 2.331 2.137 -2.940
4 HB2 LEU 1 1HB LEU 1 1.232 1.663 -0.181
5 HB3 LEU 1 2HB LEU 1 0.354 0.136 -0.243
6 HD11 LEU 1 1HD1 LEU 1 4.156 0.477 1.565
7 HD12 LEU 1 2HD1 LEU 1 3.173 1.886 1.170
8 HD13 LEU 1 3HD1 LEU 1 4.008 1.007 -0.111
9 HD21 LEU 1 3HD2 LEU 1 0.504 -0.291 1.815
10 HD22 LEU 1 1HD2 LEU 1 1.752 0.654 2.628
11 HD23 LEU 1 2HD2 LEU 1 1.939 -1.091 2.457
12 H GLY 2 H GLY 2 -0.151 -1.278 -1.840
13 HA2 GLY 2 1HA GLY 2 -2.286 0.010 -2.970
14 HA3 GLY 2 2HA GLY 2 -1.343 -0.546 -4.345
15 H ARG 3 H ARG 3 -3.922 -1.425 -3.959
16 HA ARG 3 HA ARG 3 -4.240 -3.778 -2.497
17 HE ARG 3 HE ARG 3 -8.416 -0.229 -4.435
18 HB2 ARG 3 1HB ARG 3 -5.544 -3.004 -5.114
19 HB3 ARG 3 2HB ARG 3 -6.108 -4.270 -4.031
20 HG2 ARG 3 1HG ARG 3 -6.509 -2.604 -2.289
21 HG3 ARG 3 2HG ARG 3 -5.947 -1.335 -3.379
22 HD2 ARG 3 1HD ARG 3 -7.788 -2.365 -4.964
23 HD3 ARG 3 2HD ARG 3 -8.468 -2.916 -3.433
24 HH11 ARG 3 1HH1 ARG 3 -8.535 -2.197 -1.566
25 HH12 ARG 3 2HH1 ARG 3 -9.294 -0.974 -0.601
26 HH21 ARG 3 1HH2 ARG 3 -9.415 1.389 -3.175
27 HH22 ARG 3 2HH2 ARG 3 -9.795 1.065 -1.518
28 H VAL 4 H VAL 4 -4.699 -5.961 -3.619
29 HA VAL 4 HA VAL 4 -2.280 -7.002 -4.562
30 HB VAL 4 HB VAL 4 -5.004 -8.232 -4.991
31 HG11 VAL 4 1HG1 VAL 4 -3.374 -10.290 -4.484
32 HG12 VAL 4 2HG1 VAL 4 -3.648 -9.663 -6.111
33 HG13 VAL 4 3HG1 VAL 4 -2.211 -9.181 -5.210
34 HG21 VAL 4 3HG2 VAL 4 -3.823 -9.373 -2.736
35 HG22 VAL 4 1HG2 VAL 4 -3.602 -7.634 -2.543
36 HG23 VAL 4 2HG2 VAL 4 -5.219 -8.297 -2.776
37 H ASP 5 H ASP 5 -5.312 -6.433 -6.351
38 HA ASP 5 HA ASP 5 -3.728 -5.966 -8.768
39 HB2 ASP 5 1HB ASP 5 -4.912 -7.487 -10.104
40 HB3 ASP 5 2HB ASP 5 -4.621 -8.381 -8.614
41 H ILE 6 H ILE 6 -4.587 -4.477 -10.167
42 HA ILE 6 HA ILE 6 -6.296 -2.523 -9.185
43 HB ILE 6 HB ILE 6 -5.788 -3.167 -12.092
44 HG12 ILE 6 1HG1 ILE 6 -4.256 -0.966 -11.339
45 HG13 ILE 6 2HG1 ILE 6 -4.087 -2.087 -9.993
46 HG21 ILE 6 1HG2 ILE 6 -6.213 -0.692 -12.348
47 HG22 ILE 6 2HG2 ILE 6 -7.622 -1.679 -11.965
48 HG23 ILE 6 3HG2 ILE 6 -6.850 -0.719 -10.704
49 HD11 ILE 6 3HD1 ILE 6 -2.537 -2.117 -12.184
50 HD12 ILE 6 1HD1 ILE 6 -2.862 -3.536 -11.189
51 HD13 ILE 6 2HD1 ILE 6 -3.785 -3.265 -12.667
52 H HIS 7 H HIS 7 -8.448 -2.196 -9.191
53 HA HIS 7 HA HIS 7 -10.230 -4.323 -9.471
54 HD1 HIS 7 HD1 HIS 7 -13.749 -2.239 -8.731
55 HD2 HIS 7 HD2 HIS 7 -10.593 -4.152 -6.823
56 HE1 HIS 7 HE1 HIS 7 -14.786 -3.503 -6.821
57 HB2 HIS 7 1HB HIS 7 -10.360 -1.611 -8.669
58 HB3 HIS 7 2HB HIS 7 -11.609 -1.842 -9.888
59 H VAL 8 H VAL 8 -9.961 -1.463 -11.592
60 HA VAL 8 HA VAL 8 -11.629 -2.511 -13.615
61 HB VAL 8 HB VAL 8 -10.697 -0.720 -15.050
62 HG11 VAL 8 1HG1 VAL 8 -11.689 -0.145 -12.291
63 HG12 VAL 8 2HG1 VAL 8 -11.276 1.185 -13.375
64 HG13 VAL 8 3HG1 VAL 8 -12.518 0.022 -13.838
65 HG21 VAL 8 3HG2 VAL 8 -9.019 0.784 -14.250
66 HG22 VAL 8 1HG2 VAL 8 -8.983 -0.010 -12.676
67 HG23 VAL 8 2HG2 VAL 8 -8.385 -0.855 -14.104
68 H TRP 9 H TRP 9 -10.918 -2.940 -15.870
69 HA TRP 9 HA TRP 9 -8.407 -4.482 -15.888
70 HD1 TRP 9 HD1 TRP 9 -8.005 -5.839 -18.860
71 HE1 TRP 9 HE1 TRP 9 -6.992 -8.203 -18.770
72 HE3 TRP 9 HE3 TRP 9 -10.758 -7.755 -15.001
73 HZ2 TRP 9 HZ2 TRP 9 -7.317 -10.568 -17.262
74 HZ3 TRP 9 HZ3 TRP 9 -10.345 -10.076 -14.296
75 HH2 TRP 9 HH2 TRP 9 -8.661 -11.452 -15.406
76 HB2 TRP 9 1HB TRP 9 -10.772 -5.634 -16.128
77 HB3 TRP 9 2HB TRP 9 -10.625 -5.091 -17.797
78 H ASP 10 H ASP 10 -6.887 -3.702 -17.177
79 HA ASP 10 HA ASP 10 -5.826 -2.520 -18.808
80 HB2 ASP 10 1HB ASP 10 -7.045 -4.256 -20.175
81 HB3 ASP 10 2HB ASP 10 -8.296 -3.051 -20.466
82 H GLY 11 H GLY 11 -7.590 -1.091 -16.952
83 HA2 GLY 11 1HA GLY 11 -7.586 1.338 -16.911
84 HA3 GLY 11 2HA GLY 11 -8.031 1.310 -18.610
85 H VAL 12 H VAL 12 -10.103 -0.460 -18.670
86 HA VAL 12 HA VAL 12 -12.044 0.382 -16.662
87 HB VAL 12 HB VAL 12 -13.707 0.902 -18.506
88 HG11 VAL 12 1HG1 VAL 12 -11.351 2.764 -18.225
89 HG12 VAL 12 2HG1 VAL 12 -12.989 3.212 -18.705
90 HG13 VAL 12 3HG1 VAL 12 -12.678 2.616 -17.074
91 HG21 VAL 12 3HG2 VAL 12 -11.453 1.637 -20.277
92 HG22 VAL 12 1HG2 VAL 12 -11.882 -0.072 -20.199
93 HG23 VAL 12 2HG2 VAL 12 -13.091 1.120 -20.679
94 H TYR 13 H TYR 13 -13.720 -1.049 -16.364
95 HA TYR 13 HA TYR 13 -13.331 -3.724 -16.942
96 HD1 TYR 13 HD1 TYR 13 -14.493 -5.558 -15.301
97 HD2 TYR 13 HD2 TYR 13 -14.926 -1.551 -13.935
98 HE1 TYR 13 HE1 TYR 13 -13.755 -6.249 -13.059
99 HE2 TYR 13 HE2 TYR 13 -14.189 -2.231 -11.689
100 HH TYR 13 HH TYR 13 -14.137 -5.299 -10.621
101 HB2 TYR 13 1HB TYR 13 -15.703 -2.126 -16.066
102 HB3 TYR 13 2HB TYR 13 -15.930 -3.815 -16.508
103 H ILE 14 H ILE 14 -13.742 -5.017 -18.625
104 HA ILE 14 HA ILE 14 -14.234 -4.083 -21.174
105 HB ILE 14 HB ILE 14 -14.880 -6.843 -20.129
106 HG12 ILE 14 1HG1 ILE 14 -12.561 -6.204 -19.670
107 HG13 ILE 14 2HG1 ILE 14 -12.627 -7.434 -20.927
108 HG21 ILE 14 1HG2 ILE 14 -14.536 -7.543 -22.470
109 HG22 ILE 14 2HG2 ILE 14 -15.910 -6.455 -22.278
110 HG23 ILE 14 3HG2 ILE 14 -14.389 -5.847 -22.931
111 HD11 ILE 14 3HD1 ILE 14 -11.400 -6.132 -22.217
112 HD12 ILE 14 1HD1 ILE 14 -12.699 -4.938 -22.224
113 HD13 ILE 14 2HD1 ILE 14 -11.431 -4.856 -21.000
114 H ARG 15 H ARG 15 -15.969 -3.217 -22.079
115 HA ARG 15 HA ARG 15 -18.552 -3.394 -20.826
116 HE ARG 15 HE ARG 15 -17.880 1.508 -20.891
117 HB2 ARG 15 1HB ARG 15 -17.367 -1.887 -23.101
118 HB3 ARG 15 2HB ARG 15 -19.111 -2.119 -23.105
119 HG2 ARG 15 1HG ARG 15 -19.035 -1.207 -20.707
120 HG3 ARG 15 2HG ARG 15 -17.417 -0.643 -21.128
121 HD2 ARG 15 1HD ARG 15 -18.678 0.309 -23.240
122 HD3 ARG 15 2HD ARG 15 -20.069 0.229 -22.159
123 HH11 ARG 15 1HH1 ARG 15 -20.359 2.014 -23.283
124 HH12 ARG 15 2HH1 ARG 15 -20.416 3.730 -23.050
125 HH21 ARG 15 1HH2 ARG 15 -17.946 3.766 -20.576
126 HH22 ARG 15 2HH2 ARG 15 -19.042 4.726 -21.511
127 H GLY 16 H GLY 16 -20.290 -4.573 -21.439
128 HA2 GLY 16 1HA GLY 16 -21.495 -6.230 -22.474
129 HA3 GLY 16 2HA GLY 16 -20.755 -5.672 -23.967
130 H ARG 17 H ARG 17 -19.312 -6.950 -24.962
131 HA ARG 17 HA ARG 17 -18.730 -9.523 -23.726
132 HE ARG 17 HE ARG 17 -20.495 -10.907 -27.056
133 HB2 ARG 17 1HB ARG 17 -19.581 -9.178 -26.136
134 HB3 ARG 17 2HB ARG 17 -17.931 -8.692 -26.504
135 HG2 ARG 17 1HG ARG 17 -17.961 -10.937 -27.059
136 HG3 ARG 17 2HG ARG 17 -17.262 -10.938 -25.439
137 HD2 ARG 17 1HD ARG 17 -18.867 -12.682 -25.489
138 HD3 ARG 17 2HD ARG 17 -19.578 -11.365 -24.557
139 HH11 ARG 17 1HH1 ARG 17 -20.483 -13.715 -24.998
140 HH12 ARG 17 2HH1 ARG 17 -21.949 -14.364 -25.656
141 HH21 ARG 17 1HH2 ARG 17 -22.425 -11.751 -27.930
142 HH22 ARG 17 2HH2 ARG 17 -23.052 -13.247 -27.324
Start of MODEL 3
1 HA LEU 1 HA LEU 1 1.002 -0.925 0.453
2 HG LEU 1 HG LEU 1 0.391 0.582 2.815
3 H1 LEU 1 1H LEU 1 1.737 1.663 -0.523
4 HB2 LEU 1 1HB LEU 1 -0.842 1.409 0.814
5 HB3 LEU 1 2HB LEU 1 -1.476 -0.219 0.586
6 HD11 LEU 1 1HD1 LEU 1 -2.482 -0.053 3.249
7 HD12 LEU 1 2HD1 LEU 1 -2.048 1.560 2.685
8 HD13 LEU 1 3HD1 LEU 1 -1.388 0.949 4.202
9 HD21 LEU 1 3HD2 LEU 1 0.588 -1.741 2.390
10 HD22 LEU 1 1HD2 LEU 1 -1.155 -1.924 2.191
11 HD23 LEU 1 2HD2 LEU 1 -0.481 -1.576 3.784
12 H GLY 2 H GLY 2 -1.088 -1.659 -0.850
13 HA2 GLY 2 1HA GLY 2 -1.720 -0.502 -3.310
14 HA3 GLY 2 2HA GLY 2 -0.362 -1.584 -3.580
15 H ARG 3 H ARG 3 -2.727 -2.045 -4.862
16 HA ARG 3 HA ARG 3 -3.978 -4.244 -3.366
17 HE ARG 3 HE ARG 3 -8.480 -1.351 -3.075
18 HB2 ARG 3 1HB ARG 3 -5.012 -3.011 -5.915
19 HB3 ARG 3 2HB ARG 3 -5.886 -4.014 -4.764
20 HG2 ARG 3 1HG ARG 3 -5.611 -2.179 -3.087
21 HG3 ARG 3 2HG ARG 3 -4.958 -1.179 -4.386
22 HD2 ARG 3 1HD ARG 3 -6.982 -1.018 -5.462
23 HD3 ARG 3 2HD ARG 3 -7.577 -2.538 -4.795
24 HH11 ARG 3 1HH1 ARG 3 -5.927 0.540 -4.498
25 HH12 ARG 3 2HH1 ARG 3 -6.225 1.928 -3.505
26 HH21 ARG 3 1HH2 ARG 3 -8.882 0.471 -1.762
27 HH22 ARG 3 2HH2 ARG 3 -7.905 1.888 -1.949
28 H VAL 4 H VAL 4 -4.170 -6.292 -4.269
29 HA VAL 4 HA VAL 4 -2.053 -7.292 -5.726
30 HB VAL 4 HB VAL 4 -4.842 -8.452 -5.668
31 HG11 VAL 4 1HG1 VAL 4 -2.143 -9.648 -6.261
32 HG12 VAL 4 2HG1 VAL 4 -3.576 -10.612 -5.899
33 HG13 VAL 4 3HG1 VAL 4 -3.550 -9.570 -7.321
34 HG21 VAL 4 3HG2 VAL 4 -3.561 -9.856 -3.807
35 HG22 VAL 4 1HG2 VAL 4 -2.669 -8.342 -3.653
36 HG23 VAL 4 2HG2 VAL 4 -4.418 -8.361 -3.432
37 H ASP 5 H ASP 5 -5.303 -6.476 -6.927
38 HA ASP 5 HA ASP 5 -4.139 -6.121 -9.599
39 HB2 ASP 5 1HB ASP 5 -6.295 -7.120 -10.523
40 HB3 ASP 5 2HB ASP 5 -5.153 -8.251 -9.803
41 H ILE 6 H ILE 6 -6.168 -5.244 -11.041
42 HA ILE 6 HA ILE 6 -7.196 -2.928 -9.536
43 HB ILE 6 HB ILE 6 -6.695 -3.024 -12.508
44 HG12 ILE 6 1HG1 ILE 6 -4.563 -3.285 -11.368
45 HG13 ILE 6 2HG1 ILE 6 -4.679 -1.660 -12.034
46 HG21 ILE 6 1HG2 ILE 6 -6.700 -0.488 -12.103
47 HG22 ILE 6 2HG2 ILE 6 -8.245 -1.336 -12.081
48 HG23 ILE 6 3HG2 ILE 6 -7.469 -0.877 -10.565
49 HD11 ILE 6 3HD1 ILE 6 -5.650 -1.260 -9.544
50 HD12 ILE 6 1HD1 ILE 6 -4.488 -2.553 -9.252
51 HD13 ILE 6 2HD1 ILE 6 -3.962 -1.048 -10.007
52 H HIS 7 H HIS 7 -9.310 -2.262 -9.862
53 HA HIS 7 HA HIS 7 -11.221 -4.246 -10.359
54 HD1 HIS 7 HD1 HIS 7 -14.253 -3.435 -10.799
55 HD2 HIS 7 HD2 HIS 7 -12.458 -2.606 -7.145
56 HE1 HIS 7 HE1 HIS 7 -15.851 -4.290 -9.055
57 HB2 HIS 7 1HB HIS 7 -11.231 -1.639 -9.365
58 HB3 HIS 7 2HB HIS 7 -12.264 -1.569 -10.790
59 H VAL 8 H VAL 8 -10.400 -1.402 -12.351
60 HA VAL 8 HA VAL 8 -12.011 -2.166 -14.545
61 HB VAL 8 HB VAL 8 -10.700 -0.496 -15.835
62 HG11 VAL 8 1HG1 VAL 8 -12.540 -0.073 -13.895
63 HG12 VAL 8 2HG1 VAL 8 -11.215 0.943 -13.323
64 HG13 VAL 8 3HG1 VAL 8 -11.886 1.191 -14.936
65 HG21 VAL 8 3HG2 VAL 8 -8.756 0.408 -15.130
66 HG22 VAL 8 1HG2 VAL 8 -9.251 0.415 -13.438
67 HG23 VAL 8 2HG2 VAL 8 -8.650 -1.070 -14.174
68 H TRP 9 H TRP 9 -10.720 -2.195 -16.815
69 HA TRP 9 HA TRP 9 -8.519 -4.115 -16.659
70 HD1 TRP 9 HD1 TRP 9 -10.576 -6.011 -20.366
71 HE1 TRP 9 HE1 TRP 9 -8.782 -7.707 -21.096
72 HE3 TRP 9 HE3 TRP 9 -7.680 -5.993 -16.153
73 HZ2 TRP 9 HZ2 TRP 9 -6.449 -8.883 -20.027
74 HZ3 TRP 9 HZ3 TRP 9 -5.685 -7.433 -16.087
75 HH2 TRP 9 HH2 TRP 9 -5.085 -8.847 -17.985
76 HB2 TRP 9 1HB TRP 9 -10.580 -5.454 -16.848
77 HB3 TRP 9 2HB TRP 9 -11.014 -4.572 -18.310
78 H ASP 10 H ASP 10 -6.931 -3.509 -17.966
79 HA ASP 10 HA ASP 10 -5.766 -2.457 -19.613
80 HB2 ASP 10 1HB ASP 10 -7.351 -4.035 -20.930
81 HB3 ASP 10 2HB ASP 10 -8.222 -2.561 -21.343
82 H GLY 11 H GLY 11 -6.980 -0.782 -17.730
83 HA2 GLY 11 1HA GLY 11 -6.776 1.612 -17.736
84 HA3 GLY 11 2HA GLY 11 -7.385 1.619 -19.385
85 H VAL 12 H VAL 12 -9.662 0.265 -19.344
86 HA VAL 12 HA VAL 12 -11.287 1.311 -17.139
87 HB VAL 12 HB VAL 12 -13.019 2.075 -18.741
88 HG11 VAL 12 1HG1 VAL 12 -11.510 3.689 -17.741
89 HG12 VAL 12 2HG1 VAL 12 -10.323 3.402 -19.015
90 HG13 VAL 12 3HG1 VAL 12 -11.873 4.149 -19.404
91 HG21 VAL 12 3HG2 VAL 12 -11.558 2.533 -21.068
92 HG22 VAL 12 1HG2 VAL 12 -11.205 0.861 -20.631
93 HG23 VAL 12 2HG2 VAL 12 -12.875 1.381 -20.852
94 H TYR 13 H TYR 13 -12.961 0.021 -16.548
95 HA TYR 13 HA TYR 13 -12.966 -2.675 -17.272
96 HD1 TYR 13 HD1 TYR 13 -12.811 -3.901 -15.316
97 HD2 TYR 13 HD2 TYR 13 -16.959 -3.055 -15.740
98 HE1 TYR 13 HE1 TYR 13 -13.345 -6.195 -14.608
99 HE2 TYR 13 HE2 TYR 13 -17.505 -5.346 -15.032
100 HH TYR 13 HH TYR 13 -16.587 -7.189 -13.893
101 HB2 TYR 13 1HB TYR 13 -13.991 -1.424 -15.202
102 HB3 TYR 13 2HB TYR 13 -15.445 -1.386 -16.193
103 H ILE 14 H ILE 14 -13.484 -3.498 -19.181
104 HA ILE 14 HA ILE 14 -15.184 -2.135 -21.041
105 HB ILE 14 HB ILE 14 -14.057 -4.935 -21.163
106 HG12 ILE 14 1HG1 ILE 14 -12.291 -3.262 -21.060
107 HG13 ILE 14 2HG1 ILE 14 -12.386 -3.926 -22.688
108 HG21 ILE 14 1HG2 ILE 14 -15.702 -5.041 -22.742
109 HG22 ILE 14 2HG2 ILE 14 -15.678 -3.304 -23.043
110 HG23 ILE 14 3HG2 ILE 14 -14.411 -4.332 -23.712
111 HD11 ILE 14 3HD1 ILE 14 -14.048 -1.752 -22.823
112 HD12 ILE 14 1HD1 ILE 14 -12.757 -1.201 -21.755
113 HD13 ILE 14 2HD1 ILE 14 -12.371 -1.811 -23.365
114 H ARG 15 H ARG 15 -17.292 -2.432 -21.457
115 HA ARG 15 HA ARG 15 -18.873 -3.960 -19.626
116 HE ARG 15 HE ARG 15 -22.594 -2.227 -22.372
117 HB2 ARG 15 1HB ARG 15 -19.428 -1.731 -20.893
118 HB3 ARG 15 2HB ARG 15 -19.975 -2.817 -22.164
119 HG2 ARG 15 1HG ARG 15 -20.960 -3.274 -19.398
120 HG3 ARG 15 2HG ARG 15 -21.617 -1.919 -20.319
121 HD2 ARG 15 1HD ARG 15 -21.470 -4.671 -21.497
122 HD3 ARG 15 2HD ARG 15 -22.810 -4.200 -20.452
123 HH11 ARG 15 1HH1 ARG 15 -23.207 -5.653 -22.288
124 HH12 ARG 15 2HH1 ARG 15 -24.190 -5.644 -23.715
125 HH21 ARG 15 1HH2 ARG 15 -23.887 -2.202 -24.251
126 HH22 ARG 15 2HH2 ARG 15 -24.576 -3.681 -24.831
127 H GLY 16 H GLY 16 -19.801 -5.918 -19.878
128 HA2 GLY 16 1HA GLY 16 -20.247 -7.986 -20.765
129 HA3 GLY 16 2HA GLY 16 -20.407 -7.166 -22.312
130 H ARG 17 H ARG 17 -18.383 -9.093 -20.288
131 HA ARG 17 HA ARG 17 -16.122 -8.920 -22.114
132 HE ARG 17 HE ARG 17 -13.052 -9.220 -18.930
133 HB2 ARG 17 1HB ARG 17 -15.716 -8.964 -19.683
134 HB3 ARG 17 2HB ARG 17 -16.475 -10.548 -19.592
135 HG2 ARG 17 1HG ARG 17 -14.700 -11.350 -21.201
136 HG3 ARG 17 2HG ARG 17 -13.887 -9.809 -20.921
137 HD2 ARG 17 1HD ARG 17 -14.726 -11.409 -18.560
138 HD3 ARG 17 2HD ARG 17 -13.332 -11.962 -19.487
139 HH11 ARG 17 1HH1 ARG 17 -12.989 -12.313 -17.333
140 HH12 ARG 17 2HH1 ARG 17 -11.903 -11.794 -16.087
141 HH21 ARG 17 1HH2 ARG 17 -11.621 -8.525 -17.295
142 HH22 ARG 17 2HH2 ARG 17 -11.126 -9.639 -16.066
Start of MODEL 4
1 HA LEU 1 HA LEU 1 0.071 -0.724 1.573
2 HG LEU 1 HG LEU 1 -0.887 0.279 3.433
3 H1 LEU 1 1H LEU 1 2.232 1.046 1.848
4 HB2 LEU 1 1HB LEU 1 0.355 2.249 1.560
5 HB3 LEU 1 2HB LEU 1 -1.197 1.517 1.157
6 HD11 LEU 1 1HD1 LEU 1 0.318 1.630 5.085
7 HD12 LEU 1 2HD1 LEU 1 0.894 2.685 3.794
8 HD13 LEU 1 3HD1 LEU 1 1.396 0.995 3.842
9 HD21 LEU 1 3HD2 LEU 1 -1.799 3.052 2.867
10 HD22 LEU 1 1HD2 LEU 1 -1.744 2.512 4.545
11 HD23 LEU 1 2HD2 LEU 1 -2.723 1.636 3.368
12 H GLY 2 H GLY 2 -1.168 -1.342 -0.121
13 HA2 GLY 2 1HA GLY 2 -1.615 -0.084 -2.515
14 HA3 GLY 2 2HA GLY 2 -0.119 -0.972 -2.762
15 H ARG 3 H ARG 3 -2.344 -1.520 -4.284
16 HA ARG 3 HA ARG 3 -3.339 -4.059 -3.175
17 HE ARG 3 HE ARG 3 -6.956 -3.532 -2.558
18 HB2 ARG 3 1HB ARG 3 -4.528 -2.565 -5.508
19 HB3 ARG 3 2HB ARG 3 -5.260 -3.851 -4.558
20 HG2 ARG 3 1HG ARG 3 -5.081 -2.216 -2.585
21 HG3 ARG 3 2HG ARG 3 -4.832 -0.983 -3.823
22 HD2 ARG 3 1HD ARG 3 -7.129 -0.928 -3.479
23 HD3 ARG 3 2HD ARG 3 -6.962 -1.956 -4.902
24 HH11 ARG 3 1HH1 ARG 3 -9.082 -1.653 -4.577
25 HH12 ARG 3 2HH1 ARG 3 -10.493 -2.575 -4.173
26 HH21 ARG 3 1HH2 ARG 3 -8.806 -4.752 -2.019
27 HH22 ARG 3 2HH2 ARG 3 -10.335 -4.337 -2.717
28 H VAL 4 H VAL 4 -3.235 -5.936 -4.394
29 HA VAL 4 HA VAL 4 -1.008 -6.381 -5.960
30 HB VAL 4 HB VAL 4 -3.615 -7.904 -6.075
31 HG11 VAL 4 1HG1 VAL 4 -2.446 -8.687 -7.907
32 HG12 VAL 4 2HG1 VAL 4 -0.875 -8.452 -7.137
33 HG13 VAL 4 3HG1 VAL 4 -1.912 -9.788 -6.637
34 HG21 VAL 4 3HG2 VAL 4 -1.847 -9.376 -4.581
35 HG22 VAL 4 1HG2 VAL 4 -1.501 -7.723 -4.072
36 HG23 VAL 4 2HG2 VAL 4 -3.139 -8.363 -3.936
37 H ASP 5 H ASP 5 -4.349 -5.842 -7.065
38 HA ASP 5 HA ASP 5 -3.290 -4.791 -9.580
39 HB2 ASP 5 1HB ASP 5 -5.134 -7.141 -9.297
40 HB3 ASP 5 2HB ASP 5 -5.254 -6.095 -10.709
41 H ILE 6 H ILE 6 -5.400 -4.103 -10.950
42 HA ILE 6 HA ILE 6 -6.962 -2.421 -9.109
43 HB ILE 6 HB ILE 6 -6.565 -1.958 -12.062
44 HG12 ILE 6 1HG1 ILE 6 -4.388 -1.866 -10.982
45 HG13 ILE 6 2HG1 ILE 6 -4.912 -0.236 -11.390
46 HG21 ILE 6 1HG2 ILE 6 -8.320 -0.614 -11.604
47 HG22 ILE 6 2HG2 ILE 6 -7.972 -0.567 -9.877
48 HG23 ILE 6 3HG2 ILE 6 -7.060 0.455 -10.988
49 HD11 ILE 6 3HD1 ILE 6 -5.849 -0.443 -8.869
50 HD12 ILE 6 1HD1 ILE 6 -4.415 -1.464 -8.776
51 HD13 ILE 6 2HD1 ILE 6 -4.270 0.215 -9.295
52 H HIS 7 H HIS 7 -9.192 -2.177 -9.407
53 HA HIS 7 HA HIS 7 -10.660 -4.439 -10.000
54 HD1 HIS 7 HD1 HIS 7 -12.912 -3.975 -7.672
55 HD2 HIS 7 HD2 HIS 7 -14.010 -3.028 -11.566
56 HE1 HIS 7 HE1 HIS 7 -15.197 -4.975 -7.989
57 HB2 HIS 7 1HB HIS 7 -11.367 -2.282 -8.767
58 HB3 HIS 7 2HB HIS 7 -11.811 -1.682 -10.363
59 H VAL 8 H VAL 8 -10.472 -1.509 -12.033
60 HA VAL 8 HA VAL 8 -11.834 -2.470 -14.237
61 HB VAL 8 HB VAL 8 -10.687 -0.784 -15.566
62 HG11 VAL 8 1HG1 VAL 8 -12.362 -0.283 -13.573
63 HG12 VAL 8 2HG1 VAL 8 -10.962 0.591 -12.949
64 HG13 VAL 8 3HG1 VAL 8 -11.633 1.009 -14.526
65 HG21 VAL 8 3HG2 VAL 8 -8.995 0.390 -13.580
66 HG22 VAL 8 1HG2 VAL 8 -8.543 -1.299 -13.815
67 HG23 VAL 8 2HG2 VAL 8 -8.578 -0.195 -15.190
68 H TRP 9 H TRP 9 -10.803 -2.859 -16.446
69 HA TRP 9 HA TRP 9 -8.514 -4.693 -16.163
70 HD1 TRP 9 HD1 TRP 9 -9.973 -6.563 -19.994
71 HE1 TRP 9 HE1 TRP 9 -8.324 -8.528 -20.208
72 HE3 TRP 9 HE3 TRP 9 -8.309 -6.754 -15.164
73 HZ2 TRP 9 HZ2 TRP 9 -6.552 -9.968 -18.548
74 HZ3 TRP 9 HZ3 TRP 9 -6.637 -8.455 -14.559
75 HH2 TRP 9 HH2 TRP 9 -5.779 -10.028 -16.218
76 HB2 TRP 9 1HB TRP 9 -10.740 -5.828 -16.538
77 HB3 TRP 9 2HB TRP 9 -10.791 -5.048 -18.116
78 H ASP 10 H ASP 10 -6.819 -4.243 -17.406
79 HA ASP 10 HA ASP 10 -5.485 -3.166 -18.908
80 HB2 ASP 10 1HB ASP 10 -7.030 -4.743 -20.325
81 HB3 ASP 10 2HB ASP 10 -7.729 -3.229 -20.892
82 H GLY 11 H GLY 11 -7.152 -1.503 -17.202
83 HA2 GLY 11 1HA GLY 11 -6.865 0.906 -17.184
84 HA3 GLY 11 2HA GLY 11 -7.206 0.904 -18.908
85 H VAL 12 H VAL 12 -9.469 -0.505 -19.168
86 HA VAL 12 HA VAL 12 -11.416 0.559 -17.261
87 HB VAL 12 HB VAL 12 -12.848 1.457 -19.004
88 HG11 VAL 12 1HG1 VAL 12 -10.219 2.714 -19.620
89 HG12 VAL 12 2HG1 VAL 12 -11.767 3.466 -19.230
90 HG13 VAL 12 3HG1 VAL 12 -10.797 2.728 -17.954
91 HG21 VAL 12 3HG2 VAL 12 -11.693 1.757 -21.316
92 HG22 VAL 12 1HG2 VAL 12 -10.724 0.375 -20.808
93 HG23 VAL 12 2HG2 VAL 12 -12.477 0.226 -20.927
94 H TYR 13 H TYR 13 -13.127 -0.758 -16.927
95 HA TYR 13 HA TYR 13 -13.032 -3.405 -17.999
96 HD1 TYR 13 HD1 TYR 13 -17.059 -2.603 -17.213
97 HD2 TYR 13 HD2 TYR 13 -14.026 -0.756 -14.869
98 HE1 TYR 13 HE1 TYR 13 -18.645 -0.840 -16.561
99 HE2 TYR 13 HE2 TYR 13 -15.604 1.011 -14.210
100 HH TYR 13 HH TYR 13 -18.241 1.778 -15.719
101 HB2 TYR 13 1HB TYR 13 -15.014 -3.809 -16.599
102 HB3 TYR 13 2HB TYR 13 -13.738 -3.004 -15.693
103 H ILE 14 H ILE 14 -14.475 -4.430 -19.366
104 HA ILE 14 HA ILE 14 -16.264 -2.647 -20.886
105 HB ILE 14 HB ILE 14 -14.917 -5.122 -21.962
106 HG12 ILE 14 1HG1 ILE 14 -13.708 -3.159 -23.313
107 HG13 ILE 14 2HG1 ILE 14 -14.018 -2.287 -21.816
108 HG21 ILE 14 1HG2 ILE 14 -16.074 -4.802 -23.846
109 HG22 ILE 14 2HG2 ILE 14 -17.116 -3.760 -22.879
110 HG23 ILE 14 3HG2 ILE 14 -15.801 -3.060 -23.821
111 HD11 ILE 14 3HD1 ILE 14 -11.975 -3.125 -21.331
112 HD12 ILE 14 1HD1 ILE 14 -12.958 -4.478 -20.771
113 HD13 ILE 14 2HD1 ILE 14 -12.188 -4.544 -22.356
114 H ARG 15 H ARG 15 -18.211 -3.057 -19.971
115 HA ARG 15 HA ARG 15 -19.042 -5.676 -19.178
116 HE ARG 15 HE ARG 15 -21.471 -3.034 -16.727
117 HB2 ARG 15 1HB ARG 15 -19.884 -3.657 -18.062
118 HB3 ARG 15 2HB ARG 15 -20.658 -3.149 -19.557
119 HG2 ARG 15 1HG ARG 15 -21.926 -5.374 -19.423
120 HG3 ARG 15 2HG ARG 15 -21.381 -5.418 -17.745
121 HD2 ARG 15 1HD ARG 15 -23.054 -3.287 -19.065
122 HD3 ARG 15 2HD ARG 15 -23.572 -4.432 -17.828
123 HH11 ARG 15 1HH1 ARG 15 -24.609 -2.278 -18.030
124 HH12 ARG 15 2HH1 ARG 15 -24.843 -0.895 -17.013
125 HH21 ARG 15 1HH2 ARG 15 -21.767 -1.215 -15.382
126 HH22 ARG 15 2HH2 ARG 15 -23.225 -0.291 -15.508
127 H GLY 16 H GLY 16 -19.939 -7.220 -20.379
128 HA2 GLY 16 1HA GLY 16 -20.879 -8.307 -22.169
129 HA3 GLY 16 2HA GLY 16 -21.817 -6.841 -22.415
130 H ARG 17 H ARG 17 -18.663 -8.315 -23.080
131 HA ARG 17 HA ARG 17 -18.229 -6.456 -25.283
132 HE ARG 17 HE ARG 17 -13.719 -7.211 -27.307
133 HB2 ARG 17 1HB ARG 17 -16.399 -7.104 -23.665
134 HB3 ARG 17 2HB ARG 17 -16.433 -8.709 -24.384
135 HG2 ARG 17 1HG ARG 17 -16.064 -6.322 -26.133
136 HG3 ARG 17 2HG ARG 17 -14.705 -6.942 -25.194
137 HD2 ARG 17 1HD ARG 17 -15.360 -9.231 -26.197
138 HD3 ARG 17 2HD ARG 17 -16.264 -8.280 -27.375
139 HH11 ARG 17 1HH1 ARG 17 -15.180 -10.280 -28.060
140 HH12 ARG 17 2HH1 ARG 17 -13.962 -10.726 -29.210
141 HH21 ARG 17 1HH2 ARG 17 -12.109 -7.786 -28.818
142 HH22 ARG 17 2HH2 ARG 17 -12.216 -9.307 -29.639
Start of MODEL 5
1 HA LEU 1 HA LEU 1 -1.773 1.527 -0.938
2 HG LEU 1 HG LEU 1 -1.339 2.631 1.608
3 H1 LEU 1 1H LEU 1 -2.511 0.312 1.543
4 HB2 LEU 1 1HB LEU 1 -0.174 0.348 1.321
5 HB3 LEU 1 2HB LEU 1 0.567 1.071 -0.105
6 HD11 LEU 1 1HD1 LEU 1 0.789 3.551 2.670
7 HD12 LEU 1 2HD1 LEU 1 1.571 2.080 2.091
8 HD13 LEU 1 3HD1 LEU 1 0.223 1.975 3.223
9 HD21 LEU 1 3HD2 LEU 1 0.119 4.494 0.732
10 HD22 LEU 1 1HD2 LEU 1 -0.872 3.665 -0.469
11 HD23 LEU 1 2HD2 LEU 1 0.850 3.303 -0.345
12 H GLY 2 H GLY 2 -2.837 -0.206 -2.251
13 HA2 GLY 2 1HA GLY 2 -1.478 -1.580 -3.940
14 HA3 GLY 2 2HA GLY 2 -1.122 -2.584 -2.542
15 H ARG 3 H ARG 3 -2.295 -3.674 -4.771
16 HA ARG 3 HA ARG 3 -4.855 -4.525 -3.667
17 HE ARG 3 HE ARG 3 -6.752 -0.144 -4.687
18 HB2 ARG 3 1HB ARG 3 -4.637 -3.732 -6.570
19 HB3 ARG 3 2HB ARG 3 -6.087 -4.192 -5.686
20 HG2 ARG 3 1HG ARG 3 -5.651 -2.131 -4.246
21 HG3 ARG 3 2HG ARG 3 -4.515 -1.647 -5.507
22 HD2 ARG 3 1HD ARG 3 -6.210 -1.491 -7.124
23 HD3 ARG 3 2HD ARG 3 -7.350 -2.405 -6.137
24 HH11 ARG 3 1HH1 ARG 3 -8.108 -0.854 -7.814
25 HH12 ARG 3 2HH1 ARG 3 -9.095 0.569 -7.853
26 HH21 ARG 3 1HH2 ARG 3 -8.047 1.733 -4.727
27 HH22 ARG 3 2HH2 ARG 3 -9.059 2.041 -6.098
28 H VAL 4 H VAL 4 -5.559 -6.572 -4.430
29 HA VAL 4 HA VAL 4 -3.480 -8.414 -4.915
30 HB VAL 4 HB VAL 4 -6.450 -8.820 -5.295
31 HG11 VAL 4 1HG1 VAL 4 -4.152 -10.748 -5.039
32 HG12 VAL 4 2HG1 VAL 4 -5.839 -11.215 -4.814
33 HG13 VAL 4 3HG1 VAL 4 -5.296 -10.592 -6.373
34 HG21 VAL 4 3HG2 VAL 4 -5.790 -10.030 -2.946
35 HG22 VAL 4 1HG2 VAL 4 -4.756 -8.601 -2.914
36 HG23 VAL 4 2HG2 VAL 4 -6.503 -8.423 -3.085
37 H ASP 5 H ASP 5 -6.141 -7.340 -7.032
38 HA ASP 5 HA ASP 5 -4.400 -7.750 -9.345
39 HB2 ASP 5 1HB ASP 5 -5.947 -9.783 -8.851
40 HB3 ASP 5 2HB ASP 5 -7.231 -8.746 -9.465
41 H ILE 6 H ILE 6 -5.407 -6.831 -11.361
42 HA ILE 6 HA ILE 6 -6.776 -4.327 -10.666
43 HB ILE 6 HB ILE 6 -5.237 -5.022 -13.170
44 HG12 ILE 6 1HG1 ILE 6 -3.797 -3.068 -12.055
45 HG13 ILE 6 2HG1 ILE 6 -4.489 -3.746 -10.585
46 HG21 ILE 6 1HG2 ILE 6 -5.348 -2.389 -13.267
47 HG22 ILE 6 2HG2 ILE 6 -6.646 -3.387 -13.919
48 HG23 ILE 6 3HG2 ILE 6 -6.816 -2.649 -12.326
49 HD11 ILE 6 3HD1 ILE 6 -2.790 -5.169 -10.615
50 HD12 ILE 6 1HD1 ILE 6 -3.609 -5.962 -11.960
51 HD13 ILE 6 2HD1 ILE 6 -2.366 -4.751 -12.274
52 H HIS 7 H HIS 7 -8.632 -3.673 -11.697
53 HA HIS 7 HA HIS 7 -10.062 -5.777 -13.155
54 HD1 HIS 7 HD1 HIS 7 -12.278 -5.146 -9.624
55 HD2 HIS 7 HD2 HIS 7 -12.492 -6.574 -13.520
56 HE1 HIS 7 HE1 HIS 7 -13.747 -7.184 -9.513
57 HB2 HIS 7 1HB HIS 7 -10.823 -3.864 -11.158
58 HB3 HIS 7 2HB HIS 7 -11.781 -3.591 -12.610
59 H VAL 8 H VAL 8 -9.484 -2.266 -13.295
60 HA VAL 8 HA VAL 8 -10.664 -1.824 -15.797
61 HB VAL 8 HB VAL 8 -9.363 0.250 -15.886
62 HG11 VAL 8 1HG1 VAL 8 -10.807 -0.575 -13.428
63 HG12 VAL 8 2HG1 VAL 8 -9.962 0.974 -13.405
64 HG13 VAL 8 3HG1 VAL 8 -11.208 0.665 -14.616
65 HG21 VAL 8 3HG2 VAL 8 -7.477 -1.202 -14.430
66 HG22 VAL 8 1HG2 VAL 8 -7.390 0.498 -14.890
67 HG23 VAL 8 2HG2 VAL 8 -8.057 0.042 -13.323
68 H TRP 9 H TRP 9 -9.437 -1.098 -17.770
69 HA TRP 9 HA TRP 9 -6.834 -2.212 -18.227
70 HD1 TRP 9 HD1 TRP 9 -5.335 -3.812 -19.207
71 HE1 TRP 9 HE1 TRP 9 -4.369 -4.822 -21.369
72 HE3 TRP 9 HE3 TRP 9 -9.686 -4.478 -21.807
73 HZ2 TRP 9 HZ2 TRP 9 -5.325 -5.775 -23.848
74 HZ3 TRP 9 HZ3 TRP 9 -9.574 -5.444 -24.067
75 HH2 TRP 9 HH2 TRP 9 -7.437 -6.078 -25.065
76 HB2 TRP 9 1HB TRP 9 -8.262 -4.235 -18.394
77 HB3 TRP 9 2HB TRP 9 -9.178 -3.455 -19.680
78 H ASP 10 H ASP 10 -5.828 -1.028 -19.724
79 HA ASP 10 HA ASP 10 -5.449 0.566 -21.303
80 HB2 ASP 10 1HB ASP 10 -6.758 -1.335 -22.571
81 HB3 ASP 10 2HB ASP 10 -8.029 -0.118 -22.654
82 H GLY 11 H GLY 11 -7.107 1.219 -18.936
83 HA2 GLY 11 1HA GLY 11 -8.024 3.183 -18.140
84 HA3 GLY 11 2HA GLY 11 -7.873 3.856 -19.756
85 H VAL 12 H VAL 12 -9.543 0.859 -19.388
86 HA VAL 12 HA VAL 12 -12.154 2.106 -19.173
87 HB VAL 12 HB VAL 12 -12.961 0.940 -21.261
88 HG11 VAL 12 1HG1 VAL 12 -12.498 2.779 -22.636
89 HG12 VAL 12 2HG1 VAL 12 -12.393 3.418 -20.995
90 HG13 VAL 12 3HG1 VAL 12 -10.921 3.049 -21.894
91 HG21 VAL 12 3HG2 VAL 12 -11.231 0.515 -22.997
92 HG22 VAL 12 1HG2 VAL 12 -9.995 0.735 -21.759
93 HG23 VAL 12 2HG2 VAL 12 -11.148 -0.594 -21.628
94 H TYR 13 H TYR 13 -13.469 0.831 -18.042
95 HA TYR 13 HA TYR 13 -12.639 -1.670 -17.051
96 HD1 TYR 13 HD1 TYR 13 -15.183 1.682 -17.101
97 HD2 TYR 13 HD2 TYR 13 -16.768 -2.248 -17.475
98 HE1 TYR 13 HE1 TYR 13 -17.213 2.606 -18.137
99 HE2 TYR 13 HE2 TYR 13 -18.803 -1.335 -18.513
100 HH TYR 13 HH TYR 13 -19.753 1.720 -18.320
101 HB2 TYR 13 1HB TYR 13 -14.858 -1.814 -16.052
102 HB3 TYR 13 2HB TYR 13 -14.216 -0.186 -15.865
103 H ILE 14 H ILE 14 -13.025 -3.723 -17.677
104 HA ILE 14 HA ILE 14 -13.627 -4.321 -20.331
105 HB ILE 14 HB ILE 14 -13.873 -6.169 -17.954
106 HG12 ILE 14 1HG1 ILE 14 -11.511 -5.818 -19.803
107 HG13 ILE 14 2HG1 ILE 14 -11.654 -4.980 -18.262
108 HG21 ILE 14 1HG2 ILE 14 -14.885 -7.335 -19.664
109 HG22 ILE 14 2HG2 ILE 14 -13.873 -6.600 -20.907
110 HG23 ILE 14 3HG2 ILE 14 -13.204 -7.837 -19.843
111 HD11 ILE 14 3HD1 ILE 14 -10.795 -6.731 -17.231
112 HD12 ILE 14 1HD1 ILE 14 -12.121 -7.739 -17.810
113 HD13 ILE 14 2HD1 ILE 14 -10.654 -7.570 -18.776
114 H ARG 15 H ARG 15 -15.435 -5.136 -21.368
115 HA ARG 15 HA ARG 15 -17.931 -4.137 -20.582
116 HE ARG 15 HE ARG 15 -20.075 -3.798 -24.018
117 HB2 ARG 15 1HB ARG 15 -17.508 -4.557 -22.902
118 HB3 ARG 15 2HB ARG 15 -17.178 -6.256 -22.593
119 HG2 ARG 15 1HG ARG 15 -19.469 -6.693 -22.108
120 HG3 ARG 15 2HG ARG 15 -19.856 -4.971 -22.129
121 HD2 ARG 15 1HD ARG 15 -18.661 -6.245 -24.550
122 HD3 ARG 15 2HD ARG 15 -20.375 -6.473 -24.206
123 HH11 ARG 15 1HH1 ARG 15 -19.179 -6.124 -26.449
124 HH12 ARG 15 2HH1 ARG 15 -19.336 -5.006 -27.763
125 HH21 ARG 15 1HH2 ARG 15 -20.284 -2.316 -25.740
126 HH22 ARG 15 2HH2 ARG 15 -19.963 -2.840 -27.358
127 H GLY 16 H GLY 16 -19.719 -5.057 -19.636
128 HA2 GLY 16 1HA GLY 16 -20.870 -6.440 -18.210
129 HA3 GLY 16 2HA GLY 16 -20.142 -7.761 -19.113
130 H ARG 17 H ARG 17 -18.512 -8.927 -18.214
131 HA ARG 17 HA ARG 17 -18.077 -8.571 -15.385
132 HE ARG 17 HE ARG 17 -15.951 -12.501 -13.277
133 HB2 ARG 17 1HB ARG 17 -18.390 -10.804 -16.559
134 HB3 ARG 17 2HB ARG 17 -16.758 -10.602 -17.182
135 HG2 ARG 17 1HG ARG 17 -15.798 -10.787 -15.063
136 HG3 ARG 17 2HG ARG 17 -17.330 -10.478 -14.245
137 HD2 ARG 17 1HD ARG 17 -18.180 -12.615 -14.864
138 HD3 ARG 17 2HD ARG 17 -16.826 -12.903 -15.956
139 HH11 ARG 17 1HH1 ARG 17 -17.359 -14.846 -15.430
140 HH12 ARG 17 2HH1 ARG 17 -16.748 -16.210 -14.555
141 HH21 ARG 17 1HH2 ARG 17 -15.141 -14.289 -12.115
142 HH22 ARG 17 2HH2 ARG 17 -15.487 -15.892 -12.669
Start of MODEL 6
1 HA LEU 1 HA LEU 1 1.968 -6.419 -3.987
2 HG LEU 1 HG LEU 1 2.884 -5.961 -1.884
3 H1 LEU 1 1H LEU 1 3.523 -4.655 -5.763
4 HB2 LEU 1 1HB LEU 1 2.784 -3.560 -3.667
5 HB3 LEU 1 2HB LEU 1 1.315 -4.155 -2.895
6 HD11 LEU 1 1HD1 LEU 1 4.993 -5.814 -2.592
7 HD12 LEU 1 2HD1 LEU 1 5.124 -4.413 -1.528
8 HD13 LEU 1 3HD1 LEU 1 4.756 -4.190 -3.239
9 HD21 LEU 1 3HD2 LEU 1 3.446 -4.411 -0.022
10 HD22 LEU 1 1HD2 LEU 1 1.760 -4.331 -0.532
11 HD23 LEU 1 2HD2 LEU 1 2.891 -3.071 -1.026
12 H GLY 2 H GLY 2 0.562 -6.989 -5.687
13 HA2 GLY 2 1HA GLY 2 -0.725 -5.232 -7.429
14 HA3 GLY 2 2HA GLY 2 -1.358 -6.793 -6.928
15 H ARG 3 H ARG 3 -3.091 -4.758 -7.457
16 HA ARG 3 HA ARG 3 -3.872 -3.676 -4.845
17 HE ARG 3 HE ARG 3 -2.255 -0.306 -8.735
18 HB2 ARG 3 1HB ARG 3 -5.101 -2.995 -7.512
19 HB3 ARG 3 2HB ARG 3 -5.206 -2.088 -6.009
20 HG2 ARG 3 1HG ARG 3 -3.657 -0.833 -7.089
21 HG3 ARG 3 2HG ARG 3 -2.580 -1.992 -6.307
22 HD2 ARG 3 1HD ARG 3 -2.162 -3.129 -8.268
23 HD3 ARG 3 2HD ARG 3 -3.672 -2.607 -9.013
24 HH11 ARG 3 1HH1 ARG 3 -1.602 -3.400 -10.191
25 HH12 ARG 3 2HH1 ARG 3 -0.543 -2.754 -11.400
26 HH21 ARG 3 1HH2 ARG 3 -0.862 0.557 -10.322
27 HH22 ARG 3 2HH2 ARG 3 -0.122 -0.503 -11.473
28 H VAL 4 H VAL 4 -5.946 -3.985 -4.006
29 HA VAL 4 HA VAL 4 -7.081 -6.531 -4.418
30 HB VAL 4 HB VAL 4 -8.395 -4.162 -3.082
31 HG11 VAL 4 1HG1 VAL 4 -9.505 -5.976 -1.749
32 HG12 VAL 4 2HG1 VAL 4 -9.983 -5.899 -3.446
33 HG13 VAL 4 3HG1 VAL 4 -8.846 -7.134 -2.904
34 HG21 VAL 4 3HG2 VAL 4 -7.449 -5.497 -1.012
35 HG22 VAL 4 1HG2 VAL 4 -6.242 -6.012 -2.190
36 HG23 VAL 4 2HG2 VAL 4 -6.468 -4.296 -1.852
37 H ASP 5 H ASP 5 -8.667 -3.375 -4.925
38 HA ASP 5 HA ASP 5 -10.063 -4.557 -7.235
39 HB2 ASP 5 1HB ASP 5 -11.123 -2.998 -4.926
40 HB3 ASP 5 2HB ASP 5 -11.853 -2.725 -6.506
41 H ILE 6 H ILE 6 -10.249 -3.321 -9.057
42 HA ILE 6 HA ILE 6 -8.976 -0.664 -8.980
43 HB ILE 6 HB ILE 6 -8.838 -2.656 -11.246
44 HG12 ILE 6 1HG1 ILE 6 -6.283 -2.309 -10.552
45 HG13 ILE 6 2HG1 ILE 6 -7.016 -2.002 -8.982
46 HG21 ILE 6 1HG2 ILE 6 -8.541 -0.786 -12.448
47 HG22 ILE 6 2HG2 ILE 6 -8.221 0.198 -11.021
48 HG23 ILE 6 3HG2 ILE 6 -6.932 -0.776 -11.727
49 HD11 ILE 6 3HD1 ILE 6 -7.158 -4.175 -8.636
50 HD12 ILE 6 1HD1 ILE 6 -8.205 -4.337 -10.046
51 HD13 ILE 6 2HD1 ILE 6 -6.456 -4.482 -10.224
52 H HIS 7 H HIS 7 -10.088 0.981 -9.845
53 HA HIS 7 HA HIS 7 -12.800 0.736 -10.495
54 HD1 HIS 7 HD1 HIS 7 -12.791 3.611 -8.321
55 HD2 HIS 7 HD2 HIS 7 -14.341 3.311 -12.164
56 HE1 HIS 7 HE1 HIS 7 -15.102 4.594 -8.192
57 HB2 HIS 7 1HB HIS 7 -11.093 2.825 -9.967
58 HB3 HIS 7 2HB HIS 7 -11.469 3.071 -11.670
59 H VAL 8 H VAL 8 -10.122 1.603 -12.693
60 HA VAL 8 HA VAL 8 -11.554 0.200 -14.847
61 HB VAL 8 HB VAL 8 -10.782 1.958 -16.434
62 HG11 VAL 8 1HG1 VAL 8 -12.754 2.461 -14.265
63 HG12 VAL 8 2HG1 VAL 8 -12.395 3.768 -15.396
64 HG13 VAL 8 3HG1 VAL 8 -13.010 2.226 -15.993
65 HG21 VAL 8 3HG2 VAL 8 -9.440 3.629 -15.822
66 HG22 VAL 8 1HG2 VAL 8 -10.475 4.044 -14.455
67 HG23 VAL 8 2HG2 VAL 8 -9.237 2.799 -14.279
68 H TRP 9 H TRP 9 -10.276 -0.817 -16.383
69 HA TRP 9 HA TRP 9 -7.421 -1.012 -15.687
70 HD1 TRP 9 HD1 TRP 9 -6.773 -3.670 -14.143
71 HE1 TRP 9 HE1 TRP 9 -4.645 -4.948 -14.822
72 HE3 TRP 9 HE3 TRP 9 -7.324 -3.524 -19.223
73 HZ2 TRP 9 HZ2 TRP 9 -3.368 -5.783 -17.197
74 HZ3 TRP 9 HZ3 TRP 9 -5.605 -4.586 -20.627
75 HH2 TRP 9 HH2 TRP 9 -3.668 -5.691 -19.633
76 HB2 TRP 9 1HB TRP 9 -9.002 -3.066 -15.515
77 HB3 TRP 9 2HB TRP 9 -8.901 -3.091 -17.273
78 H ASP 10 H ASP 10 -6.086 -0.083 -17.077
79 HA ASP 10 HA ASP 10 -5.235 0.847 -18.974
80 HB2 ASP 10 1HB ASP 10 -6.628 -1.596 -20.056
81 HB3 ASP 10 2HB ASP 10 -5.705 -0.516 -21.098
82 H GLY 11 H GLY 11 -7.576 2.066 -18.061
83 HA2 GLY 11 1HA GLY 11 -8.584 3.968 -19.146
84 HA3 GLY 11 2HA GLY 11 -8.690 3.015 -20.619
85 H VAL 12 H VAL 12 -9.861 0.711 -19.811
86 HA VAL 12 HA VAL 12 -12.278 1.412 -18.330
87 HB VAL 12 HB VAL 12 -13.752 0.494 -20.070
88 HG11 VAL 12 1HG1 VAL 12 -13.756 2.402 -21.510
89 HG12 VAL 12 2HG1 VAL 12 -13.247 2.936 -19.907
90 HG13 VAL 12 3HG1 VAL 12 -12.052 2.717 -21.186
91 HG21 VAL 12 3HG2 VAL 12 -12.237 0.650 -22.397
92 HG22 VAL 12 1HG2 VAL 12 -11.224 -0.241 -21.262
93 HG23 VAL 12 2HG2 VAL 12 -12.850 -0.815 -21.631
94 H TYR 13 H TYR 13 -13.077 -0.246 -17.163
95 HA TYR 13 HA TYR 13 -11.545 -2.608 -16.867
96 HD1 TYR 13 HD1 TYR 13 -14.500 -4.726 -16.009
97 HD2 TYR 13 HD2 TYR 13 -11.643 -2.702 -13.592
98 HE1 TYR 13 HE1 TYR 13 -14.155 -6.783 -14.706
99 HE2 TYR 13 HE2 TYR 13 -11.288 -4.754 -12.283
100 HH TYR 13 HH TYR 13 -13.062 -7.022 -11.903
101 HB2 TYR 13 1HB TYR 13 -12.975 -1.473 -15.099
102 HB3 TYR 13 2HB TYR 13 -14.370 -2.207 -15.882
103 H ILE 14 H ILE 14 -11.586 -4.408 -18.025
104 HA ILE 14 HA ILE 14 -13.556 -4.802 -20.080
105 HB ILE 14 HB ILE 14 -11.308 -6.605 -19.174
106 HG12 ILE 14 1HG1 ILE 14 -10.467 -5.732 -21.528
107 HG13 ILE 14 2HG1 ILE 14 -11.521 -4.373 -21.150
108 HG21 ILE 14 1HG2 ILE 14 -12.550 -8.111 -20.323
109 HG22 ILE 14 2HG2 ILE 14 -13.397 -6.872 -21.247
110 HG23 ILE 14 3HG2 ILE 14 -11.761 -7.347 -21.702
111 HD11 ILE 14 3HD1 ILE 14 -9.060 -4.196 -20.516
112 HD12 ILE 14 1HD1 ILE 14 -10.255 -3.762 -19.293
113 HD13 ILE 14 2HD1 ILE 14 -9.443 -5.327 -19.218
114 H ARG 15 H ARG 15 -15.542 -5.297 -19.300
115 HA ARG 15 HA ARG 15 -15.915 -7.151 -17.132
116 HE ARG 15 HE ARG 15 -19.195 -6.092 -13.928
117 HB2 ARG 15 1HB ARG 15 -17.598 -5.354 -18.738
118 HB3 ARG 15 2HB ARG 15 -18.391 -6.848 -18.258
119 HG2 ARG 15 1HG ARG 15 -17.010 -4.978 -16.348
120 HG3 ARG 15 2HG ARG 15 -18.741 -4.960 -16.689
121 HD2 ARG 15 1HD ARG 15 -18.139 -7.621 -16.114
122 HD3 ARG 15 2HD ARG 15 -17.225 -6.681 -14.936
123 HH11 ARG 15 1HH1 ARG 15 -19.869 -7.400 -17.083
124 HH12 ARG 15 2HH1 ARG 15 -21.584 -7.440 -16.843
125 HH21 ARG 15 1HH2 ARG 15 -21.452 -6.140 -13.600
126 HH22 ARG 15 2HH2 ARG 15 -22.484 -6.722 -14.862
127 H GLY 16 H GLY 16 -16.495 -9.264 -17.222
128 HA2 GLY 16 1HA GLY 16 -16.776 -11.368 -18.095
129 HA3 GLY 16 2HA GLY 16 -17.650 -10.584 -19.403
130 H ARG 17 H ARG 17 -16.742 -10.488 -21.379
131 HA ARG 17 HA ARG 17 -14.256 -11.912 -21.773
132 HE ARG 17 HE ARG 17 -12.227 -11.635 -23.866
133 HB2 ARG 17 1HB ARG 17 -16.425 -12.010 -23.221
134 HB3 ARG 17 2HB ARG 17 -15.781 -10.553 -23.968
135 HG2 ARG 17 1HG ARG 17 -14.003 -12.922 -23.734
136 HG3 ARG 17 2HG ARG 17 -15.283 -12.940 -24.949
137 HD2 ARG 17 1HD ARG 17 -13.616 -11.987 -26.178
138 HD3 ARG 17 2HD ARG 17 -14.322 -10.533 -25.473
139 HH11 ARG 17 1HH1 ARG 17 -12.917 -9.627 -26.624
140 HH12 ARG 17 2HH1 ARG 17 -11.440 -8.730 -26.505
141 HH21 ARG 17 1HH2 ARG 17 -10.279 -10.461 -23.697
142 HH22 ARG 17 2HH2 ARG 17 -9.940 -9.206 -24.840
Start of MODEL 7
1 HA LEU 1 HA LEU 1 2.926 -2.653 -3.020
2 HG LEU 1 HG LEU 1 5.328 -3.300 -3.116
3 H1 LEU 1 1H LEU 1 2.275 -5.515 -2.866
4 HB2 LEU 1 1HB LEU 1 3.935 -4.890 -4.684
5 HB3 LEU 1 2HB LEU 1 3.546 -3.380 -5.506
6 HD11 LEU 1 1HD1 LEU 1 7.043 -4.363 -4.050
7 HD12 LEU 1 2HD1 LEU 1 6.797 -3.556 -5.599
8 HD13 LEU 1 3HD1 LEU 1 5.890 -5.018 -5.213
9 HD21 LEU 1 3HD2 LEU 1 4.380 -1.329 -4.551
10 HD22 LEU 1 1HD2 LEU 1 5.674 -1.781 -5.660
11 HD23 LEU 1 2HD2 LEU 1 6.057 -1.309 -4.005
12 H GLY 2 H GLY 2 1.556 -1.410 -4.231
13 HA2 GLY 2 1HA GLY 2 -0.372 -0.821 -5.328
14 HA3 GLY 2 2HA GLY 2 -0.206 -2.334 -6.206
15 H ARG 3 H ARG 3 -2.588 -2.257 -6.126
16 HA ARG 3 HA ARG 3 -3.629 -3.212 -3.542
17 HE ARG 3 HE ARG 3 -2.565 -1.036 -2.773
18 HB2 ARG 3 1HB ARG 3 -5.204 -2.001 -5.819
19 HB3 ARG 3 2HB ARG 3 -5.807 -2.410 -4.218
20 HG2 ARG 3 1HG ARG 3 -3.625 -0.394 -4.644
21 HG3 ARG 3 2HG ARG 3 -5.336 0.034 -4.679
22 HD2 ARG 3 1HD ARG 3 -4.796 0.445 -2.475
23 HD3 ARG 3 2HD ARG 3 -5.413 -1.205 -2.392
24 HH11 ARG 3 1HH1 ARG 3 -5.156 -1.104 -0.448
25 HH12 ARG 3 2HH1 ARG 3 -4.157 -1.685 0.843
26 HH21 ARG 3 1HH2 ARG 3 -1.240 -1.801 -1.081
27 HH22 ARG 3 2HH2 ARG 3 -1.929 -2.080 0.482
28 H VAL 4 H VAL 4 -5.265 -4.885 -3.608
29 HA VAL 4 HA VAL 4 -4.534 -7.091 -5.166
30 HB VAL 4 HB VAL 4 -7.192 -6.657 -3.798
31 HG11 VAL 4 1HG1 VAL 4 -5.744 -9.140 -4.701
32 HG12 VAL 4 2HG1 VAL 4 -7.139 -9.151 -3.620
33 HG13 VAL 4 3HG1 VAL 4 -7.303 -8.538 -5.266
34 HG21 VAL 4 3HG2 VAL 4 -5.485 -8.305 -2.269
35 HG22 VAL 4 1HG2 VAL 4 -4.566 -6.863 -2.701
36 HG23 VAL 4 2HG2 VAL 4 -6.108 -6.707 -1.860
37 H ASP 5 H ASP 5 -7.522 -5.148 -5.376
38 HA ASP 5 HA ASP 5 -7.612 -5.766 -8.251
39 HB2 ASP 5 1HB ASP 5 -9.793 -6.027 -6.207
40 HB3 ASP 5 2HB ASP 5 -10.193 -5.676 -7.886
41 H ILE 6 H ILE 6 -8.926 -4.229 -9.506
42 HA ILE 6 HA ILE 6 -9.187 -1.593 -8.238
43 HB ILE 6 HB ILE 6 -7.931 -2.003 -10.952
44 HG12 ILE 6 1HG1 ILE 6 -5.942 -0.934 -9.529
45 HG13 ILE 6 2HG1 ILE 6 -6.764 -1.775 -8.220
46 HG21 ILE 6 1HG2 ILE 6 -8.758 0.105 -11.111
47 HG22 ILE 6 2HG2 ILE 6 -8.766 0.354 -9.366
48 HG23 ILE 6 3HG2 ILE 6 -7.256 0.480 -10.268
49 HD11 ILE 6 3HD1 ILE 6 -4.880 -2.993 -9.421
50 HD12 ILE 6 1HD1 ILE 6 -6.392 -3.867 -9.179
51 HD13 ILE 6 2HD1 ILE 6 -6.015 -3.176 -10.758
52 H HIS 7 H HIS 7 -10.747 -0.231 -9.141
53 HA HIS 7 HA HIS 7 -13.061 -1.411 -10.111
54 HD1 HIS 7 HD1 HIS 7 -14.751 1.876 -8.366
55 HD2 HIS 7 HD2 HIS 7 -15.052 -0.187 -11.960
56 HE1 HIS 7 HE1 HIS 7 -17.212 1.764 -8.874
57 HB2 HIS 7 1HB HIS 7 -12.557 0.997 -9.124
58 HB3 HIS 7 2HB HIS 7 -12.493 1.431 -10.830
59 H VAL 8 H VAL 8 -10.628 0.448 -11.932
60 HA VAL 8 HA VAL 8 -11.708 -0.731 -14.408
61 HB VAL 8 HB VAL 8 -10.683 1.156 -15.608
62 HG11 VAL 8 1HG1 VAL 8 -12.843 1.384 -13.661
63 HG12 VAL 8 2HG1 VAL 8 -12.142 2.938 -14.118
64 HG13 VAL 8 3HG1 VAL 8 -12.790 1.862 -15.357
65 HG21 VAL 8 3HG2 VAL 8 -9.910 3.119 -14.260
66 HG22 VAL 8 1HG2 VAL 8 -9.938 2.077 -12.838
67 HG23 VAL 8 2HG2 VAL 8 -8.850 1.711 -14.177
68 H TRP 9 H TRP 9 -10.146 -1.229 -16.100
69 HA TRP 9 HA TRP 9 -7.395 -1.640 -15.209
70 HD1 TRP 9 HD1 TRP 9 -7.451 -5.318 -17.742
71 HE1 TRP 9 HE1 TRP 9 -5.058 -6.212 -17.432
72 HE3 TRP 9 HE3 TRP 9 -6.251 -2.928 -13.385
73 HZ2 TRP 9 HZ2 TRP 9 -2.941 -5.940 -15.585
74 HZ3 TRP 9 HZ3 TRP 9 -4.022 -3.299 -12.412
75 HH2 TRP 9 HH2 TRP 9 -2.403 -4.775 -13.490
76 HB2 TRP 9 1HB TRP 9 -8.656 -3.718 -14.658
77 HB3 TRP 9 2HB TRP 9 -9.064 -3.883 -16.363
78 H ASP 10 H ASP 10 -6.020 -1.055 -16.750
79 HA ASP 10 HA ASP 10 -5.178 -0.414 -18.765
80 HB2 ASP 10 1HB ASP 10 -7.010 -2.652 -19.623
81 HB3 ASP 10 2HB ASP 10 -5.972 -1.795 -20.759
82 H GLY 11 H GLY 11 -7.315 1.128 -17.738
83 HA2 GLY 11 1HA GLY 11 -8.196 3.104 -18.735
84 HA3 GLY 11 2HA GLY 11 -8.326 2.241 -20.260
85 H VAL 12 H VAL 12 -9.696 -0.018 -19.540
86 HA VAL 12 HA VAL 12 -12.107 0.826 -18.135
87 HB VAL 12 HB VAL 12 -13.588 0.115 -19.960
88 HG11 VAL 12 1HG1 VAL 12 -13.433 2.084 -21.255
89 HG12 VAL 12 2HG1 VAL 12 -12.797 2.501 -19.662
90 HG13 VAL 12 3HG1 VAL 12 -11.692 2.202 -21.004
91 HG21 VAL 12 3HG2 VAL 12 -12.317 0.093 -22.280
92 HG22 VAL 12 1HG2 VAL 12 -10.992 -0.489 -21.272
93 HG23 VAL 12 2HG2 VAL 12 -12.516 -1.374 -21.322
94 H TYR 13 H TYR 13 -13.074 -0.807 -17.066
95 HA TYR 13 HA TYR 13 -11.765 -3.258 -16.721
96 HD1 TYR 13 HD1 TYR 13 -11.316 -3.676 -14.666
97 HD2 TYR 13 HD2 TYR 13 -15.431 -4.745 -14.840
98 HE1 TYR 13 HE1 TYR 13 -10.886 -5.557 -13.141
99 HE2 TYR 13 HE2 TYR 13 -15.012 -6.629 -13.315
100 HH TYR 13 HH TYR 13 -12.213 -6.945 -11.510
101 HB2 TYR 13 1HB TYR 13 -13.536 -2.006 -15.238
102 HB3 TYR 13 2HB TYR 13 -14.689 -2.989 -16.134
103 H ILE 14 H ILE 14 -11.709 -5.014 -17.944
104 HA ILE 14 HA ILE 14 -13.384 -5.254 -20.267
105 HB ILE 14 HB ILE 14 -11.355 -7.180 -19.129
106 HG12 ILE 14 1HG1 ILE 14 -10.160 -6.264 -21.308
107 HG13 ILE 14 2HG1 ILE 14 -11.204 -4.876 -21.026
108 HG21 ILE 14 1HG2 ILE 14 -11.450 -7.868 -21.683
109 HG22 ILE 14 2HG2 ILE 14 -12.543 -8.569 -20.491
110 HG23 ILE 14 3HG2 ILE 14 -13.098 -7.258 -21.532
111 HD11 ILE 14 3HD1 ILE 14 -8.852 -4.825 -20.049
112 HD12 ILE 14 1HD1 ILE 14 -10.189 -4.382 -18.989
113 HD13 ILE 14 2HD1 ILE 14 -9.456 -5.982 -18.863
114 H ARG 15 H ARG 15 -15.478 -5.689 -19.792
115 HA ARG 15 HA ARG 15 -16.041 -8.307 -18.642
116 HE ARG 15 HE ARG 15 -20.384 -9.380 -16.263
117 HB2 ARG 15 1HB ARG 15 -16.151 -6.440 -16.854
118 HB3 ARG 15 2HB ARG 15 -17.622 -5.940 -17.678
119 HG2 ARG 15 1HG ARG 15 -17.283 -8.774 -16.795
120 HG3 ARG 15 2HG ARG 15 -17.774 -7.528 -15.645
121 HD2 ARG 15 1HD ARG 15 -19.533 -6.932 -17.476
122 HD3 ARG 15 2HD ARG 15 -19.212 -8.568 -18.049
123 HH11 ARG 15 1HH1 ARG 15 -19.539 -6.060 -15.647
124 HH12 ARG 15 2HH1 ARG 15 -20.485 -5.951 -14.200
125 HH21 ARG 15 1HH2 ARG 15 -21.634 -9.249 -14.359
126 HH22 ARG 15 2HH2 ARG 15 -21.676 -7.766 -13.468
127 H GLY 16 H GLY 16 -17.597 -9.339 -19.739
128 HA2 GLY 16 1HA GLY 16 -19.185 -9.747 -21.347
129 HA3 GLY 16 2HA GLY 16 -19.933 -8.263 -20.778
130 H ARG 17 H ARG 17 -16.893 -8.914 -22.516
131 HA ARG 17 HA ARG 17 -17.518 -6.745 -24.352
132 HE ARG 17 HE ARG 17 -15.361 -4.463 -26.762
133 HB2 ARG 17 1HB ARG 17 -15.227 -7.166 -23.254
134 HB3 ARG 17 2HB ARG 17 -15.048 -8.460 -24.430
135 HG2 ARG 17 1HG ARG 17 -13.985 -6.699 -25.466
136 HG3 ARG 17 2HG ARG 17 -15.602 -6.623 -26.168
137 HD2 ARG 17 1HD ARG 17 -16.092 -5.002 -24.195
138 HD3 ARG 17 2HD ARG 17 -14.337 -4.848 -24.121
139 HH11 ARG 17 1HH1 ARG 17 -14.827 -2.917 -23.689
140 HH12 ARG 17 2HH1 ARG 17 -14.751 -1.320 -24.358
141 HH21 ARG 17 1HH2 ARG 17 -15.262 -2.366 -27.655
142 HH22 ARG 17 2HH2 ARG 17 -14.999 -1.009 -26.614
Start of MODEL 8
1 HA LEU 1 HA LEU 1 2.028 2.039 -0.686
2 HG LEU 1 HG LEU 1 4.234 2.464 -0.391
3 H1 LEU 1 1H LEU 1 1.559 -0.771 0.060
4 HB2 LEU 1 1HB LEU 1 3.657 -0.417 -0.922
5 HB3 LEU 1 2HB LEU 1 3.733 0.711 -2.275
6 HD11 LEU 1 1HD1 LEU 1 4.745 -0.172 0.926
7 HD12 LEU 1 2HD1 LEU 1 3.983 1.277 1.581
8 HD13 LEU 1 3HD1 LEU 1 5.728 1.236 1.327
9 HD21 LEU 1 3HD2 LEU 1 6.464 0.561 -0.967
10 HD22 LEU 1 1HD2 LEU 1 6.467 2.324 -0.952
11 HD23 LEU 1 2HD2 LEU 1 5.707 1.456 -2.285
12 H GLY 2 H GLY 2 1.053 -1.141 -1.875
13 HA2 GLY 2 1HA GLY 2 -0.407 0.198 -4.037
14 HA3 GLY 2 2HA GLY 2 0.730 -1.070 -4.469
15 H ARG 3 H ARG 3 -1.884 -1.320 -5.194
16 HA ARG 3 HA ARG 3 -3.067 -3.168 -3.245
17 HE ARG 3 HE ARG 3 -5.481 1.374 -3.195
18 HB2 ARG 3 1HB ARG 3 -4.382 -2.129 -5.750
19 HB3 ARG 3 2HB ARG 3 -5.150 -2.856 -4.345
20 HG2 ARG 3 1HG ARG 3 -4.100 -0.802 -3.099
21 HG3 ARG 3 2HG ARG 3 -4.097 -0.101 -4.719
22 HD2 ARG 3 1HD ARG 3 -6.518 -0.663 -4.891
23 HD3 ARG 3 2HD ARG 3 -6.471 -1.181 -3.206
24 HH11 ARG 3 1HH1 ARG 3 -8.430 -0.153 -4.242
25 HH12 ARG 3 2HH1 ARG 3 -9.412 1.243 -3.944
26 HH21 ARG 3 1HH2 ARG 3 -6.764 3.218 -2.799
27 HH22 ARG 3 2HH2 ARG 3 -8.463 3.160 -3.124
28 H VAL 4 H VAL 4 -3.676 -5.260 -3.825
29 HA VAL 4 HA VAL 4 -1.957 -6.720 -5.414
30 HB VAL 4 HB VAL 4 -4.820 -7.411 -4.738
31 HG11 VAL 4 1HG1 VAL 4 -2.642 -8.895 -6.079
32 HG12 VAL 4 2HG1 VAL 4 -3.585 -9.780 -4.878
33 HG13 VAL 4 3HG1 VAL 4 -4.390 -9.035 -6.260
34 HG21 VAL 4 3HG2 VAL 4 -3.073 -8.878 -3.141
35 HG22 VAL 4 1HG2 VAL 4 -2.417 -7.241 -3.145
36 HG23 VAL 4 2HG2 VAL 4 -4.082 -7.522 -2.639
37 H ASP 5 H ASP 5 -5.225 -5.583 -6.250
38 HA ASP 5 HA ASP 5 -4.470 -5.350 -9.027
39 HB2 ASP 5 1HB ASP 5 -6.134 -6.853 -9.916
40 HB3 ASP 5 2HB ASP 5 -5.119 -7.750 -8.790
41 H ILE 6 H ILE 6 -6.574 -4.736 -10.330
42 HA ILE 6 HA ILE 6 -8.061 -2.802 -8.676
43 HB ILE 6 HB ILE 6 -7.520 -2.532 -11.630
44 HG12 ILE 6 1HG1 ILE 6 -5.383 -2.480 -10.476
45 HG13 ILE 6 2HG1 ILE 6 -5.812 -0.850 -10.984
46 HG21 ILE 6 1HG2 ILE 6 -9.196 -1.058 -11.347
47 HG22 ILE 6 2HG2 ILE 6 -8.970 -0.977 -9.601
48 HG23 ILE 6 3HG2 ILE 6 -7.928 -0.037 -10.668
49 HD11 ILE 6 3HD1 ILE 6 -6.849 -0.888 -8.492
50 HD12 ILE 6 1HD1 ILE 6 -5.464 -1.962 -8.296
51 HD13 ILE 6 2HD1 ILE 6 -5.228 -0.319 -8.892
52 H HIS 7 H HIS 7 -10.261 -2.434 -9.163
53 HA HIS 7 HA HIS 7 -11.803 -4.681 -9.671
54 HD1 HIS 7 HD1 HIS 7 -15.133 -2.526 -11.038
55 HD2 HIS 7 HD2 HIS 7 -13.960 -4.742 -7.725
56 HE1 HIS 7 HE1 HIS 7 -17.160 -3.855 -10.367
57 HB2 HIS 7 1HB HIS 7 -12.439 -2.380 -8.628
58 HB3 HIS 7 2HB HIS 7 -12.844 -1.932 -10.283
59 H VAL 8 H VAL 8 -11.124 -1.961 -11.870
60 HA VAL 8 HA VAL 8 -12.465 -3.103 -14.091
61 HB VAL 8 HB VAL 8 -11.284 -1.406 -15.440
62 HG11 VAL 8 1HG1 VAL 8 -12.709 -0.686 -12.923
63 HG12 VAL 8 2HG1 VAL 8 -12.046 0.601 -13.932
64 HG13 VAL 8 3HG1 VAL 8 -13.230 -0.524 -14.599
65 HG21 VAL 8 3HG2 VAL 8 -9.432 -1.509 -13.280
66 HG22 VAL 8 1HG2 VAL 8 -9.305 -0.627 -14.802
67 HG23 VAL 8 2HG2 VAL 8 -10.060 0.134 -13.402
68 H TRP 9 H TRP 9 -10.959 -3.153 -16.242
69 HA TRP 9 HA TRP 9 -8.766 -5.034 -15.665
70 HD1 TRP 9 HD1 TRP 9 -12.755 -6.647 -16.490
71 HE1 TRP 9 HE1 TRP 9 -12.747 -8.680 -14.912
72 HE3 TRP 9 HE3 TRP 9 -7.705 -7.219 -15.929
73 HZ2 TRP 9 HZ2 TRP 9 -10.851 -10.310 -13.602
74 HZ3 TRP 9 HZ3 TRP 9 -6.877 -9.040 -14.496
75 HH2 TRP 9 HH2 TRP 9 -8.419 -10.552 -13.357
76 HB2 TRP 9 1HB TRP 9 -10.988 -5.241 -17.680
77 HB3 TRP 9 2HB TRP 9 -9.458 -6.077 -17.933
78 H ASP 10 H ASP 10 -6.869 -4.452 -16.483
79 HA ASP 10 HA ASP 10 -5.277 -3.319 -17.650
80 HB2 ASP 10 1HB ASP 10 -7.388 -3.821 -19.722
81 HB3 ASP 10 2HB ASP 10 -5.965 -2.865 -20.131
82 H GLY 11 H GLY 11 -7.213 -1.790 -16.093
83 HA2 GLY 11 1HA GLY 11 -7.546 0.441 -15.633
84 HA3 GLY 11 2HA GLY 11 -6.483 0.817 -16.980
85 H VAL 12 H VAL 12 -9.190 -1.210 -17.619
86 HA VAL 12 HA VAL 12 -10.894 1.004 -18.430
87 HB VAL 12 HB VAL 12 -11.183 0.020 -20.726
88 HG11 VAL 12 1HG1 VAL 12 -9.607 1.986 -19.944
89 HG12 VAL 12 2HG1 VAL 12 -8.346 0.883 -20.498
90 HG13 VAL 12 3HG1 VAL 12 -9.604 1.416 -21.613
91 HG21 VAL 12 3HG2 VAL 12 -9.273 -1.327 -21.586
92 HG22 VAL 12 1HG2 VAL 12 -8.698 -1.487 -19.926
93 HG23 VAL 12 2HG2 VAL 12 -10.257 -2.170 -20.389
94 H TYR 13 H TYR 13 -12.958 0.527 -18.050
95 HA TYR 13 HA TYR 13 -13.733 -1.955 -16.956
96 HD1 TYR 13 HD1 TYR 13 -14.429 2.070 -18.067
97 HD2 TYR 13 HD2 TYR 13 -17.277 -0.978 -18.901
98 HE1 TYR 13 HE1 TYR 13 -15.405 3.474 -19.834
99 HE2 TYR 13 HE2 TYR 13 -18.261 0.417 -20.672
100 HH TYR 13 HH TYR 13 -18.384 2.905 -21.200
101 HB2 TYR 13 1HB TYR 13 -15.962 -1.051 -16.883
102 HB3 TYR 13 2HB TYR 13 -14.835 0.241 -16.484
103 H ILE 14 H ILE 14 -14.645 -3.731 -17.825
104 HA ILE 14 HA ILE 14 -15.163 -3.703 -20.727
105 HB ILE 14 HB ILE 14 -14.217 -6.063 -19.099
106 HG12 ILE 14 1HG1 ILE 14 -12.451 -4.388 -19.256
107 HG13 ILE 14 2HG1 ILE 14 -12.069 -5.764 -20.285
108 HG21 ILE 14 1HG2 ILE 14 -14.998 -7.224 -20.832
109 HG22 ILE 14 2HG2 ILE 14 -15.290 -5.762 -21.774
110 HG23 ILE 14 3HG2 ILE 14 -13.693 -6.509 -21.778
111 HD11 ILE 14 3HD1 ILE 14 -13.396 -4.115 -22.005
112 HD12 ILE 14 1HD1 ILE 14 -12.532 -2.972 -20.976
113 HD13 ILE 14 2HD1 ILE 14 -11.644 -4.228 -21.839
114 H ARG 15 H ARG 15 -17.097 -4.396 -21.418
115 HA ARG 15 HA ARG 15 -18.750 -6.106 -19.758
116 HE ARG 15 HE ARG 15 -23.373 -4.571 -17.748
117 HB2 ARG 15 1HB ARG 15 -19.360 -3.939 -18.885
118 HB3 ARG 15 2HB ARG 15 -19.583 -3.302 -20.509
119 HG2 ARG 15 1HG ARG 15 -21.540 -4.562 -20.848
120 HG3 ARG 15 2HG ARG 15 -21.220 -5.579 -19.441
121 HD2 ARG 15 1HD ARG 15 -21.404 -3.442 -18.065
122 HD3 ARG 15 2HD ARG 15 -22.087 -2.702 -19.513
123 HH11 ARG 15 1HH1 ARG 15 -23.303 -3.260 -20.972
124 HH12 ARG 15 2HH1 ARG 15 -24.957 -3.649 -21.307
125 HH21 ARG 15 1HH2 ARG 15 -25.552 -5.089 -18.176
126 HH22 ARG 15 2HH2 ARG 15 -26.236 -4.688 -19.715
127 H GLY 16 H GLY 16 -19.873 -7.488 -20.985
128 HA2 GLY 16 1HA GLY 16 -20.712 -8.524 -22.854
129 HA3 GLY 16 2HA GLY 16 -21.191 -6.914 -23.373
130 H ARG 17 H ARG 17 -20.182 -6.014 -25.071
131 HA ARG 17 HA ARG 17 -18.426 -7.602 -26.642
132 HE ARG 17 HE ARG 17 -17.905 -6.559 -31.044
133 HB2 ARG 17 1HB ARG 17 -20.093 -5.901 -27.500
134 HB3 ARG 17 2HB ARG 17 -18.969 -4.653 -26.980
135 HG2 ARG 17 1HG ARG 17 -17.475 -5.105 -28.642
136 HG3 ARG 17 2HG ARG 17 -17.949 -6.801 -28.756
137 HD2 ARG 17 1HD ARG 17 -20.218 -5.772 -29.590
138 HD3 ARG 17 2HD ARG 17 -19.200 -4.387 -29.977
139 HH11 ARG 17 1HH1 ARG 17 -21.043 -5.091 -31.392
140 HH12 ARG 17 2HH1 ARG 17 -21.236 -5.587 -33.041
141 HH21 ARG 17 1HH2 ARG 17 -18.148 -7.217 -33.214
142 HH22 ARG 17 2HH2 ARG 17 -19.589 -6.797 -34.076
Start of MODEL 9
1 HA LEU 1 HA LEU 1 3.378 0.717 -5.199
2 HG LEU 1 HG LEU 1 6.104 -1.775 -5.026
3 H1 LEU 1 1H LEU 1 2.563 -0.924 -2.919
4 HB2 LEU 1 1HB LEU 1 3.803 -2.118 -4.385
5 HB3 LEU 1 2HB LEU 1 3.895 -1.700 -6.095
6 HD11 LEU 1 1HD1 LEU 1 5.604 1.104 -5.619
7 HD12 LEU 1 2HD1 LEU 1 5.350 -0.100 -6.882
8 HD13 LEU 1 3HD1 LEU 1 6.934 0.063 -6.125
9 HD21 LEU 1 3HD2 LEU 1 5.458 -1.108 -2.775
10 HD22 LEU 1 1HD2 LEU 1 5.056 0.508 -3.356
11 HD23 LEU 1 2HD2 LEU 1 6.728 -0.054 -3.400
12 H GLY 2 H GLY 2 1.375 -2.189 -4.638
13 HA2 GLY 2 1HA GLY 2 -0.263 -1.363 -6.953
14 HA3 GLY 2 2HA GLY 2 -0.044 -3.029 -6.438
15 H ARG 3 H ARG 3 -2.426 -3.024 -6.541
16 HA ARG 3 HA ARG 3 -3.600 -1.902 -4.080
17 HE ARG 3 HE ARG 3 -3.509 1.713 -7.074
18 HB2 ARG 3 1HB ARG 3 -5.121 -2.601 -6.590
19 HB3 ARG 3 2HB ARG 3 -5.699 -1.692 -5.200
20 HG2 ARG 3 1HG ARG 3 -3.527 -0.768 -7.068
21 HG3 ARG 3 2HG ARG 3 -5.221 -0.283 -7.167
22 HD2 ARG 3 1HD ARG 3 -5.081 0.689 -4.935
23 HD3 ARG 3 2HD ARG 3 -3.399 0.175 -4.806
24 HH11 ARG 3 1HH1 ARG 3 -4.267 2.169 -3.706
25 HH12 ARG 3 2HH1 ARG 3 -3.902 3.863 -3.719
26 HH21 ARG 3 1HH2 ARG 3 -3.025 3.942 -7.103
27 HH22 ARG 3 2HH2 ARG 3 -3.196 4.870 -5.652
28 H VAL 4 H VAL 4 -5.281 -3.172 -3.063
29 HA VAL 4 HA VAL 4 -4.589 -5.793 -2.548
30 HB VAL 4 HB VAL 4 -7.345 -4.574 -2.316
31 HG11 VAL 4 1HG1 VAL 4 -6.329 -7.224 -1.741
32 HG12 VAL 4 2HG1 VAL 4 -6.991 -6.448 -0.301
33 HG13 VAL 4 3HG1 VAL 4 -7.989 -6.628 -1.744
34 HG21 VAL 4 3HG2 VAL 4 -6.485 -4.493 0.166
35 HG22 VAL 4 1HG2 VAL 4 -4.903 -4.472 -0.613
36 HG23 VAL 4 2HG2 VAL 4 -6.079 -3.209 -0.973
37 H ASP 5 H ASP 5 -7.292 -4.687 -4.597
38 HA ASP 5 HA ASP 5 -6.884 -6.937 -6.377
39 HB2 ASP 5 1HB ASP 5 -9.366 -6.623 -4.696
40 HB3 ASP 5 2HB ASP 5 -9.372 -7.520 -6.212
41 H ILE 6 H ILE 6 -7.434 -6.461 -8.432
42 HA ILE 6 HA ILE 6 -8.592 -3.813 -8.912
43 HB ILE 6 HB ILE 6 -7.150 -5.654 -10.824
44 HG12 ILE 6 1HG1 ILE 6 -5.522 -3.550 -10.614
45 HG13 ILE 6 2HG1 ILE 6 -6.269 -3.450 -9.023
46 HG21 ILE 6 1HG2 ILE 6 -8.517 -4.357 -12.178
47 HG22 ILE 6 2HG2 ILE 6 -8.382 -2.945 -11.132
48 HG23 ILE 6 3HG2 ILE 6 -7.016 -3.431 -12.136
49 HD11 ILE 6 3HD1 ILE 6 -4.135 -5.075 -9.833
50 HD12 ILE 6 1HD1 ILE 6 -4.955 -5.057 -8.272
51 HD13 ILE 6 2HD1 ILE 6 -5.502 -6.150 -9.544
52 H HIS 7 H HIS 7 -10.460 -3.499 -10.009
53 HA HIS 7 HA HIS 7 -12.032 -5.895 -10.634
54 HD1 HIS 7 HD1 HIS 7 -15.323 -5.549 -10.882
55 HD2 HIS 7 HD2 HIS 7 -13.294 -5.071 -7.288
56 HE1 HIS 7 HE1 HIS 7 -16.575 -6.951 -9.211
57 HB2 HIS 7 1HB HIS 7 -12.645 -3.382 -9.398
58 HB3 HIS 7 2HB HIS 7 -13.631 -3.565 -10.846
59 H VAL 8 H VAL 8 -11.341 -2.664 -11.966
60 HA VAL 8 HA VAL 8 -12.531 -3.137 -14.481
61 HB VAL 8 HB VAL 8 -11.357 -1.153 -15.252
62 HG11 VAL 8 1HG1 VAL 8 -13.103 -1.280 -13.057
63 HG12 VAL 8 2HG1 VAL 8 -11.902 -0.049 -12.662
64 HG13 VAL 8 3HG1 VAL 8 -12.841 0.078 -14.150
65 HG21 VAL 8 3HG2 VAL 8 -9.742 0.006 -13.816
66 HG22 VAL 8 1HG2 VAL 8 -9.829 -1.320 -12.656
67 HG23 VAL 8 2HG2 VAL 8 -9.172 -1.601 -14.269
68 H TRP 9 H TRP 9 -10.892 -2.627 -16.479
69 HA TRP 9 HA TRP 9 -8.486 -4.225 -16.341
70 HD1 TRP 9 HD1 TRP 9 -9.344 -4.987 -20.332
71 HE1 TRP 9 HE1 TRP 9 -7.562 -6.607 -21.240
72 HE3 TRP 9 HE3 TRP 9 -8.296 -7.536 -16.026
73 HZ2 TRP 9 HZ2 TRP 9 -5.929 -8.690 -20.260
74 HZ3 TRP 9 HZ3 TRP 9 -6.611 -9.328 -16.097
75 HH2 TRP 9 HH2 TRP 9 -5.454 -9.892 -18.171
76 HB2 TRP 9 1HB TRP 9 -10.138 -5.971 -16.702
77 HB3 TRP 9 2HB TRP 9 -10.826 -5.080 -18.057
78 H ASP 10 H ASP 10 -7.027 -3.103 -17.432
79 HA ASP 10 HA ASP 10 -6.026 -1.776 -18.985
80 HB2 ASP 10 1HB ASP 10 -7.205 -3.580 -20.462
81 HB3 ASP 10 2HB ASP 10 -8.292 -2.262 -20.890
82 H GLY 11 H GLY 11 -8.079 -0.704 -17.146
83 HA2 GLY 11 1HA GLY 11 -8.523 1.600 -16.802
84 HA3 GLY 11 2HA GLY 11 -8.475 1.842 -18.542
85 H VAL 12 H VAL 12 -10.238 -0.116 -19.394
86 HA VAL 12 HA VAL 12 -12.757 1.109 -18.643
87 HB VAL 12 HB VAL 12 -13.732 -0.182 -20.467
88 HG11 VAL 12 1HG1 VAL 12 -13.017 1.343 -21.922
89 HG12 VAL 12 2HG1 VAL 12 -11.841 1.841 -20.704
90 HG13 VAL 12 3HG1 VAL 12 -11.390 0.663 -21.938
91 HG21 VAL 12 3HG2 VAL 12 -12.014 -1.474 -21.919
92 HG22 VAL 12 1HG2 VAL 12 -11.069 -1.546 -20.432
93 HG23 VAL 12 2HG2 VAL 12 -12.684 -2.251 -20.485
94 H TYR 13 H TYR 13 -14.402 0.159 -17.549
95 HA TYR 13 HA TYR 13 -13.810 -2.039 -15.854
96 HD1 TYR 13 HD1 TYR 13 -14.463 -2.547 -13.848
97 HD2 TYR 13 HD2 TYR 13 -18.334 -1.675 -15.385
98 HE1 TYR 13 HE1 TYR 13 -15.457 -4.068 -12.191
99 HE2 TYR 13 HE2 TYR 13 -19.339 -3.193 -13.730
100 HH TYR 13 HH TYR 13 -18.313 -4.068 -11.173
101 HB2 TYR 13 1HB TYR 13 -15.347 -0.201 -15.224
102 HB3 TYR 13 2HB TYR 13 -16.492 -0.765 -16.435
103 H ILE 14 H ILE 14 -13.926 -4.131 -16.286
104 HA ILE 14 HA ILE 14 -14.466 -6.123 -17.244
105 HB ILE 14 HB ILE 14 -17.027 -4.751 -18.067
106 HG12 ILE 14 1HG1 ILE 14 -16.690 -4.557 -15.659
107 HG13 ILE 14 2HG1 ILE 14 -17.966 -5.721 -15.996
108 HG21 ILE 14 1HG2 ILE 14 -17.101 -6.705 -19.245
109 HG22 ILE 14 2HG2 ILE 14 -16.073 -7.564 -18.099
110 HG23 ILE 14 3HG2 ILE 14 -17.767 -7.262 -17.710
111 HD11 ILE 14 3HD1 ILE 14 -16.688 -6.681 -14.295
112 HD12 ILE 14 1HD1 ILE 14 -16.173 -7.506 -15.765
113 HD13 ILE 14 2HD1 ILE 14 -15.166 -6.237 -15.067
114 H ARG 15 H ARG 15 -13.024 -6.376 -18.869
115 HA ARG 15 HA ARG 15 -12.786 -4.920 -21.200
116 HE ARG 15 HE ARG 15 -11.405 -11.078 -22.122
117 HB2 ARG 15 1HB ARG 15 -11.417 -6.660 -22.032
118 HB3 ARG 15 2HB ARG 15 -11.211 -6.692 -20.286
119 HG2 ARG 15 1HG ARG 15 -12.817 -8.552 -20.154
120 HG3 ARG 15 2HG ARG 15 -12.941 -8.541 -21.914
121 HD2 ARG 15 1HD ARG 15 -10.508 -8.971 -22.046
122 HD3 ARG 15 2HD ARG 15 -10.460 -9.080 -20.287
123 HH11 ARG 15 1HH1 ARG 15 -11.609 -9.858 -18.868
124 HH12 ARG 15 2HH1 ARG 15 -12.121 -11.370 -18.194
125 HH21 ARG 15 1HH2 ARG 15 -12.079 -13.074 -21.247
126 HH22 ARG 15 2HH2 ARG 15 -12.387 -13.199 -19.548
127 H GLY 16 H GLY 16 -13.630 -5.034 -23.251
128 HA2 GLY 16 1HA GLY 16 -15.232 -5.404 -24.852
129 HA3 GLY 16 2HA GLY 16 -15.201 -7.076 -24.312
130 H ARG 17 H ARG 17 -16.196 -4.189 -22.515
131 HA ARG 17 HA ARG 17 -18.443 -5.365 -21.368
132 HE ARG 17 HE ARG 17 -20.734 -2.562 -18.245
133 HB2 ARG 17 1HB ARG 17 -17.290 -3.223 -20.665
134 HB3 ARG 17 2HB ARG 17 -18.160 -2.421 -21.965
135 HG2 ARG 17 1HG ARG 17 -20.274 -2.952 -20.944
136 HG3 ARG 17 2HG ARG 17 -19.468 -3.905 -19.696
137 HD2 ARG 17 1HD ARG 17 -18.220 -1.765 -19.101
138 HD3 ARG 17 2HD ARG 17 -19.396 -0.930 -20.115
139 HH11 ARG 17 1HH1 ARG 17 -18.884 0.380 -18.446
140 HH12 ARG 17 2HH1 ARG 17 -19.648 1.108 -17.072
141 HH21 ARG 17 1HH2 ARG 17 -21.747 -1.615 -16.435
142 HH22 ARG 17 2HH2 ARG 17 -21.276 -0.028 -15.928
Start of MODEL 10
1 HA LEU 1 HA LEU 1 1.800 -3.804 -0.500
2 HG LEU 1 HG LEU 1 4.637 -4.511 -0.710
3 H1 LEU 1 1H LEU 1 2.855 -5.531 -2.552
4 HB2 LEU 1 1HB LEU 1 3.748 -3.421 -2.753
5 HB3 LEU 1 2HB LEU 1 3.199 -2.075 -1.758
6 HD11 LEU 1 1HD1 LEU 1 5.696 -2.410 -2.193
7 HD12 LEU 1 2HD1 LEU 1 6.582 -3.551 -1.182
8 HD13 LEU 1 3HD1 LEU 1 6.054 -2.006 -0.514
9 HD21 LEU 1 3HD2 LEU 1 3.209 -3.488 0.953
10 HD22 LEU 1 1HD2 LEU 1 3.871 -1.895 0.582
11 HD23 LEU 1 2HD2 LEU 1 4.898 -3.128 1.315
12 H GLY 2 H GLY 2 0.025 -2.609 -0.659
13 HA2 GLY 2 1HA GLY 2 -1.472 -1.107 -1.643
14 HA3 GLY 2 2HA GLY 2 -0.735 -1.430 -3.205
15 H ARG 3 H ARG 3 -3.046 -1.438 -3.858
16 HA ARG 3 HA ARG 3 -4.879 -3.373 -3.028
17 HE ARG 3 HE ARG 3 -5.599 0.249 -6.587
18 HB2 ARG 3 1HB ARG 3 -4.638 -2.208 -5.806
19 HB3 ARG 3 2HB ARG 3 -6.077 -2.911 -5.080
20 HG2 ARG 3 1HG ARG 3 -5.772 -1.050 -3.297
21 HG3 ARG 3 2HG ARG 3 -4.776 -0.282 -4.535
22 HD2 ARG 3 1HD ARG 3 -7.512 -1.295 -5.201
23 HD3 ARG 3 2HD ARG 3 -7.309 0.268 -4.409
24 HH11 ARG 3 1HH1 ARG 3 -9.024 0.042 -6.000
25 HH12 ARG 3 2HH1 ARG 3 -9.459 0.777 -7.507
26 HH21 ARG 3 1HH2 ARG 3 -6.159 1.218 -8.575
27 HH22 ARG 3 2HH2 ARG 3 -7.829 1.445 -8.971
28 H VAL 4 H VAL 4 -5.756 -4.992 -4.846
29 HA VAL 4 HA VAL 4 -3.466 -6.717 -5.522
30 HB VAL 4 HB VAL 4 -6.337 -7.557 -5.105
31 HG11 VAL 4 1HG1 VAL 4 -4.878 -9.785 -4.766
32 HG12 VAL 4 2HG1 VAL 4 -5.553 -9.295 -6.322
33 HG13 VAL 4 3HG1 VAL 4 -3.867 -8.943 -5.940
34 HG21 VAL 4 3HG2 VAL 4 -4.645 -8.632 -3.119
35 HG22 VAL 4 1HG2 VAL 4 -4.318 -6.901 -3.194
36 HG23 VAL 4 2HG2 VAL 4 -5.962 -7.476 -2.916
37 H ASP 5 H ASP 5 -6.769 -5.972 -6.647
38 HA ASP 5 HA ASP 5 -5.771 -6.016 -9.402
39 HB2 ASP 5 1HB ASP 5 -7.647 -7.362 -10.164
40 HB3 ASP 5 2HB ASP 5 -6.749 -8.241 -8.929
41 H ILE 6 H ILE 6 -6.579 -4.434 -10.654
42 HA ILE 6 HA ILE 6 -8.525 -2.624 -9.433
43 HB ILE 6 HB ILE 6 -6.807 -2.216 -11.884
44 HG12 ILE 6 1HG1 ILE 6 -5.797 -0.485 -10.133
45 HG13 ILE 6 2HG1 ILE 6 -6.402 -1.669 -8.979
46 HG21 ILE 6 1HG2 ILE 6 -7.435 0.247 -11.220
47 HG22 ILE 6 2HG2 ILE 6 -8.517 -0.727 -12.213
48 HG23 ILE 6 3HG2 ILE 6 -8.834 -0.539 -10.489
49 HD11 ILE 6 3HD1 ILE 6 -4.008 -1.721 -10.493
50 HD12 ILE 6 1HD1 ILE 6 -4.588 -2.882 -9.299
51 HD13 ILE 6 2HD1 ILE 6 -5.016 -3.076 -10.999
52 H HIS 7 H HIS 7 -10.515 -2.261 -10.238
53 HA HIS 7 HA HIS 7 -11.745 -4.109 -11.928
54 HD1 HIS 7 HD1 HIS 7 -14.866 -3.451 -12.877
55 HD2 HIS 7 HD2 HIS 7 -13.753 -3.778 -8.888
56 HE1 HIS 7 HE1 HIS 7 -16.540 -5.014 -11.838
57 HB2 HIS 7 1HB HIS 7 -12.526 -1.829 -10.423
58 HB3 HIS 7 2HB HIS 7 -13.168 -1.632 -12.052
59 H VAL 8 H VAL 8 -11.040 -0.686 -12.660
60 HA VAL 8 HA VAL 8 -11.589 -0.927 -15.422
61 HB VAL 8 HB VAL 8 -10.510 1.260 -15.662
62 HG11 VAL 8 1HG1 VAL 8 -12.602 0.663 -13.711
63 HG12 VAL 8 2HG1 VAL 8 -11.839 2.238 -13.480
64 HG13 VAL 8 3HG1 VAL 8 -12.580 1.834 -15.029
65 HG21 VAL 8 3HG2 VAL 8 -8.651 0.811 -14.071
66 HG22 VAL 8 1HG2 VAL 8 -9.436 2.371 -13.823
67 HG23 VAL 8 2HG2 VAL 8 -9.792 1.023 -12.743
68 H TRP 9 H TRP 9 -10.239 -1.132 -17.189
69 HA TRP 9 HA TRP 9 -7.404 -1.674 -16.702
70 HD1 TRP 9 HD1 TRP 9 -6.522 -4.011 -19.716
71 HE1 TRP 9 HE1 TRP 9 -4.424 -5.278 -18.932
72 HE3 TRP 9 HE3 TRP 9 -7.556 -4.276 -14.717
73 HZ2 TRP 9 HZ2 TRP 9 -3.350 -6.260 -16.514
74 HZ3 TRP 9 HZ3 TRP 9 -5.942 -5.396 -13.236
75 HH2 TRP 9 HH2 TRP 9 -3.883 -6.368 -14.118
76 HB2 TRP 9 1HB TRP 9 -8.986 -3.795 -16.827
77 HB3 TRP 9 2HB TRP 9 -8.855 -3.508 -18.560
78 H ASP 10 H ASP 10 -6.186 -0.598 -18.101
79 HA ASP 10 HA ASP 10 -5.507 0.578 -19.927
80 HB2 ASP 10 1HB ASP 10 -6.143 -1.679 -20.986
81 HB3 ASP 10 2HB ASP 10 -7.605 -0.865 -21.536
82 H GLY 11 H GLY 11 -7.730 1.544 -18.256
83 HA2 GLY 11 1HA GLY 11 -9.019 3.452 -18.213
84 HA3 GLY 11 2HA GLY 11 -8.447 3.804 -19.837
85 H VAL 12 H VAL 12 -9.931 0.743 -19.285
86 HA VAL 12 HA VAL 12 -12.565 1.667 -20.102
87 HB VAL 12 HB VAL 12 -12.659 0.003 -21.971
88 HG11 VAL 12 1HG1 VAL 12 -10.515 2.008 -22.557
89 HG12 VAL 12 2HG1 VAL 12 -11.879 1.507 -23.557
90 HG13 VAL 12 3HG1 VAL 12 -12.148 2.532 -22.147
91 HG21 VAL 12 3HG2 VAL 12 -10.448 -0.651 -22.959
92 HG22 VAL 12 1HG2 VAL 12 -9.691 -0.100 -21.464
93 HG23 VAL 12 2HG2 VAL 12 -10.837 -1.440 -21.430
94 H TYR 13 H TYR 13 -14.111 0.503 -19.148
95 HA TYR 13 HA TYR 13 -13.543 -1.492 -17.276
96 HD1 TYR 13 HD1 TYR 13 -15.039 -0.581 -15.149
97 HD2 TYR 13 HD2 TYR 13 -16.396 1.388 -18.668
98 HE1 TYR 13 HE1 TYR 13 -15.244 1.520 -13.887
99 HE2 TYR 13 HE2 TYR 13 -16.604 3.495 -17.416
100 HH TYR 13 HH TYR 13 -15.205 4.263 -14.862
101 HB2 TYR 13 1HB TYR 13 -16.179 -0.952 -18.661
102 HB3 TYR 13 2HB TYR 13 -15.964 -1.834 -17.152
103 H ILE 14 H ILE 14 -13.525 -3.681 -17.327
104 HA ILE 14 HA ILE 14 -12.919 -5.039 -19.673
105 HB ILE 14 HB ILE 14 -14.073 -6.211 -17.140
106 HG12 ILE 14 1HG1 ILE 14 -12.052 -4.911 -16.703
107 HG13 ILE 14 2HG1 ILE 14 -11.715 -6.631 -16.538
108 HG21 ILE 14 1HG2 ILE 14 -14.112 -8.111 -18.303
109 HG22 ILE 14 2HG2 ILE 14 -13.237 -7.391 -19.653
110 HG23 ILE 14 3HG2 ILE 14 -12.350 -8.048 -18.277
111 HD11 ILE 14 3HD1 ILE 14 -10.785 -6.592 -18.846
112 HD12 ILE 14 1HD1 ILE 14 -10.974 -4.838 -18.833
113 HD13 ILE 14 2HD1 ILE 14 -9.892 -5.618 -17.678
114 H ARG 15 H ARG 15 -14.190 -5.319 -21.380
115 HA ARG 15 HA ARG 15 -16.931 -5.035 -21.505
116 HE ARG 15 HE ARG 15 -16.423 -7.338 -25.704
117 HB2 ARG 15 1HB ARG 15 -16.829 -5.952 -23.683
118 HB3 ARG 15 2HB ARG 15 -15.277 -5.167 -23.428
119 HG2 ARG 15 1HG ARG 15 -14.444 -7.486 -22.716
120 HG3 ARG 15 2HG ARG 15 -15.915 -8.090 -23.480
121 HD2 ARG 15 1HD ARG 15 -13.901 -6.322 -24.857
122 HD3 ARG 15 2HD ARG 15 -13.897 -8.082 -24.958
123 HH11 ARG 15 1HH1 ARG 15 -13.196 -6.609 -26.787
124 HH12 ARG 15 2HH1 ARG 15 -13.665 -6.357 -28.435
125 HH21 ARG 15 1HH2 ARG 15 -17.054 -7.009 -27.872
126 HH22 ARG 15 2HH2 ARG 15 -15.860 -6.584 -29.051
127 H GLY 16 H GLY 16 -18.687 -6.425 -21.456
128 HA2 GLY 16 1HA GLY 16 -19.934 -8.201 -20.710
129 HA3 GLY 16 2HA GLY 16 -18.604 -9.209 -21.262
130 H ARG 17 H ARG 17 -17.312 -10.176 -19.793
131 HA ARG 17 HA ARG 17 -18.141 -10.137 -17.051
132 HE ARG 17 HE ARG 17 -17.011 -14.220 -14.817
133 HB2 ARG 17 1HB ARG 17 -17.208 -12.120 -18.437
134 HB3 ARG 17 2HB ARG 17 -15.629 -11.451 -18.045
135 HG2 ARG 17 1HG ARG 17 -16.299 -11.582 -15.622
136 HG3 ARG 17 2HG ARG 17 -17.706 -12.507 -16.149
137 HD2 ARG 17 1HD ARG 17 -15.950 -13.977 -17.378
138 HD3 ARG 17 2HD ARG 17 -14.807 -13.237 -16.258
139 HH11 ARG 17 1HH1 ARG 17 -14.257 -15.349 -16.623
140 HH12 ARG 17 2HH1 ARG 17 -14.114 -16.827 -15.732
141 HH21 ARG 17 1HH2 ARG 17 -16.833 -16.164 -13.636
142 HH22 ARG 17 2HH2 ARG 17 -15.580 -17.291 -14.034
Start of MODEL 11
1 HA LEU 1 HA LEU 1 -5.061 0.406 0.925
2 HG LEU 1 HG LEU 1 -4.980 0.300 3.269
3 H1 LEU 1 1H LEU 1 -7.233 -0.265 0.849
4 HB2 LEU 1 1HB LEU 1 -4.849 -2.389 2.002
5 HB3 LEU 1 2HB LEU 1 -3.443 -1.334 1.867
6 HD11 LEU 1 1HD1 LEU 1 -6.041 -1.437 5.005
7 HD12 LEU 1 2HD1 LEU 1 -6.265 -2.348 3.512
8 HD13 LEU 1 3HD1 LEU 1 -6.951 -0.731 3.669
9 HD21 LEU 1 3HD2 LEU 1 -2.742 -0.816 3.820
10 HD22 LEU 1 1HD2 LEU 1 -3.701 -2.009 4.695
11 HD23 LEU 1 2HD2 LEU 1 -3.762 -0.311 5.168
12 H GLY 2 H GLY 2 -6.032 -0.553 -1.578
13 HA2 GLY 2 1HA GLY 2 -4.805 -0.523 -3.620
14 HA3 GLY 2 2HA GLY 2 -3.458 -1.285 -2.788
15 H ARG 3 H ARG 3 -4.330 -2.226 -5.225
16 HA ARG 3 HA ARG 3 -5.904 -4.622 -4.608
17 HE ARG 3 HE ARG 3 -7.656 -3.797 -4.238
18 HB2 ARG 3 1HB ARG 3 -5.075 -3.472 -7.279
19 HB3 ARG 3 2HB ARG 3 -6.091 -4.889 -7.050
20 HG2 ARG 3 1HG ARG 3 -6.891 -2.276 -5.848
21 HG3 ARG 3 2HG ARG 3 -7.170 -2.588 -7.563
22 HD2 ARG 3 1HD ARG 3 -9.154 -3.238 -6.477
23 HD3 ARG 3 2HD ARG 3 -8.302 -4.739 -6.836
24 HH11 ARG 3 1HH1 ARG 3 -10.165 -5.381 -6.059
25 HH12 ARG 3 2HH1 ARG 3 -10.813 -6.217 -4.688
26 HH21 ARG 3 1HH2 ARG 3 -8.500 -4.893 -2.424
27 HH22 ARG 3 2HH2 ARG 3 -9.866 -5.938 -2.620
28 H VAL 4 H VAL 4 -5.174 -6.594 -5.986
29 HA VAL 4 HA VAL 4 -2.278 -6.927 -5.562
30 HB VAL 4 HB VAL 4 -4.333 -9.132 -5.690
31 HG11 VAL 4 1HG1 VAL 4 -2.417 -10.279 -4.380
32 HG12 VAL 4 2HG1 VAL 4 -2.268 -10.093 -6.128
33 HG13 VAL 4 3HG1 VAL 4 -1.413 -8.992 -5.047
34 HG21 VAL 4 3HG2 VAL 4 -3.398 -8.919 -3.072
35 HG22 VAL 4 1HG2 VAL 4 -3.768 -7.266 -3.563
36 HG23 VAL 4 2HG2 VAL 4 -5.010 -8.514 -3.661
37 H ASP 5 H ASP 5 -4.640 -6.673 -7.928
38 HA ASP 5 HA ASP 5 -2.764 -7.463 -9.985
39 HB2 ASP 5 1HB ASP 5 -4.662 -8.841 -11.104
40 HB3 ASP 5 2HB ASP 5 -3.704 -9.591 -9.829
41 H ILE 6 H ILE 6 -3.125 -6.450 -11.934
42 HA ILE 6 HA ILE 6 -4.484 -4.030 -11.948
43 HB ILE 6 HB ILE 6 -3.757 -5.727 -14.339
44 HG12 ILE 6 1HG1 ILE 6 -1.918 -3.710 -14.195
45 HG13 ILE 6 2HG1 ILE 6 -2.204 -4.039 -12.490
46 HG21 ILE 6 1HG2 ILE 6 -5.090 -4.168 -15.321
47 HG22 ILE 6 2HG2 ILE 6 -4.832 -2.981 -14.043
48 HG23 ILE 6 3HG2 ILE 6 -3.590 -3.243 -15.267
49 HD11 ILE 6 3HD1 ILE 6 -0.397 -5.332 -14.012
50 HD12 ILE 6 1HD1 ILE 6 -1.147 -6.012 -12.568
51 HD13 ILE 6 2HD1 ILE 6 -1.784 -6.411 -14.164
52 H HIS 7 H HIS 7 -6.468 -3.347 -12.628
53 HA HIS 7 HA HIS 7 -8.425 -5.459 -13.250
54 HD1 HIS 7 HD1 HIS 7 -10.256 -6.053 -10.769
55 HD2 HIS 7 HD2 HIS 7 -11.697 -3.054 -13.258
56 HE1 HIS 7 HE1 HIS 7 -12.705 -6.542 -11.064
57 HB2 HIS 7 1HB HIS 7 -8.633 -4.073 -11.079
58 HB3 HIS 7 2HB HIS 7 -9.146 -2.759 -12.135
59 H VAL 8 H VAL 8 -7.672 -2.036 -13.870
60 HA VAL 8 HA VAL 8 -9.497 -1.535 -15.885
61 HB VAL 8 HB VAL 8 -8.009 0.229 -16.666
62 HG11 VAL 8 1HG1 VAL 8 -9.273 0.707 -14.681
63 HG12 VAL 8 2HG1 VAL 8 -8.070 -0.093 -13.668
64 HG13 VAL 8 3HG1 VAL 8 -7.665 1.407 -14.504
65 HG21 VAL 8 3HG2 VAL 8 -5.900 -0.933 -16.665
66 HG22 VAL 8 1HG2 VAL 8 -5.767 0.494 -15.637
67 HG23 VAL 8 2HG2 VAL 8 -5.949 -1.103 -14.910
68 H TRP 9 H TRP 9 -9.160 -1.340 -18.214
69 HA TRP 9 HA TRP 9 -7.096 -2.991 -19.405
70 HD1 TRP 9 HD1 TRP 9 -6.372 -4.548 -20.776
71 HE1 TRP 9 HE1 TRP 9 -6.399 -6.091 -22.836
72 HE3 TRP 9 HE3 TRP 9 -11.417 -5.264 -21.187
73 HZ2 TRP 9 HZ2 TRP 9 -8.307 -7.433 -24.426
74 HZ3 TRP 9 HZ3 TRP 9 -12.262 -6.691 -23.005
75 HH2 TRP 9 HH2 TRP 9 -10.737 -7.751 -24.591
76 HB2 TRP 9 1HB TRP 9 -8.951 -4.570 -18.811
77 HB3 TRP 9 2HB TRP 9 -10.007 -3.656 -19.885
78 H ASP 10 H ASP 10 -6.372 -1.919 -21.111
79 HA ASP 10 HA ASP 10 -6.238 -0.481 -22.869
80 HB2 ASP 10 1HB ASP 10 -9.021 -1.578 -23.171
81 HB3 ASP 10 2HB ASP 10 -8.402 -0.368 -24.291
82 H GLY 11 H GLY 11 -7.126 0.511 -20.214
83 HA2 GLY 11 1HA GLY 11 -7.276 2.825 -19.658
84 HA3 GLY 11 2HA GLY 11 -8.146 3.097 -21.161
85 H VAL 12 H VAL 12 -10.119 1.189 -21.027
86 HA VAL 12 HA VAL 12 -11.846 2.356 -19.012
87 HB VAL 12 HB VAL 12 -13.659 1.164 -20.109
88 HG11 VAL 12 1HG1 VAL 12 -12.173 2.137 -22.469
89 HG12 VAL 12 2HG1 VAL 12 -13.774 2.578 -21.872
90 HG13 VAL 12 3HG1 VAL 12 -12.332 3.264 -21.122
91 HG21 VAL 12 3HG2 VAL 12 -12.958 -0.062 -22.304
92 HG22 VAL 12 1HG2 VAL 12 -11.409 -0.242 -21.481
93 HG23 VAL 12 2HG2 VAL 12 -12.873 -0.907 -20.758
94 H TYR 13 H TYR 13 -12.739 1.320 -17.286
95 HA TYR 13 HA TYR 13 -11.377 -0.981 -16.282
96 HD1 TYR 13 HD1 TYR 13 -15.365 -1.008 -15.087
97 HD2 TYR 13 HD2 TYR 13 -13.272 2.687 -15.351
98 HE1 TYR 13 HE1 TYR 13 -17.508 0.187 -15.268
99 HE2 TYR 13 HE2 TYR 13 -15.408 3.892 -15.531
100 HH TYR 13 HH TYR 13 -17.968 3.234 -14.684
101 HB2 TYR 13 1HB TYR 13 -12.978 -0.779 -14.379
102 HB3 TYR 13 2HB TYR 13 -12.112 0.712 -14.729
103 H ILE 14 H ILE 14 -12.147 -3.053 -15.951
104 HA ILE 14 HA ILE 14 -13.806 -4.151 -17.912
105 HB ILE 14 HB ILE 14 -13.122 -5.323 -15.213
106 HG12 ILE 14 1HG1 ILE 14 -11.138 -4.705 -16.543
107 HG13 ILE 14 2HG1 ILE 14 -11.296 -6.451 -16.382
108 HG21 ILE 14 1HG2 ILE 14 -14.988 -6.483 -16.208
109 HG22 ILE 14 2HG2 ILE 14 -14.129 -6.618 -17.742
110 HG23 ILE 14 3HG2 ILE 14 -13.545 -7.490 -16.325
111 HD11 ILE 14 3HD1 ILE 14 -12.264 -6.547 -18.636
112 HD12 ILE 14 1HD1 ILE 14 -12.030 -4.806 -18.791
113 HD13 ILE 14 2HD1 ILE 14 -10.634 -5.872 -18.625
114 H ARG 15 H ARG 15 -15.930 -4.756 -17.973
115 HA ARG 15 HA ARG 15 -17.612 -4.390 -15.630
116 HE ARG 15 HE ARG 15 -21.044 -0.127 -15.372
117 HB2 ARG 15 1HB ARG 15 -17.413 -2.194 -17.009
118 HB3 ARG 15 2HB ARG 15 -18.449 -3.020 -18.166
119 HG2 ARG 15 1HG ARG 15 -20.144 -3.322 -16.426
120 HG3 ARG 15 2HG ARG 15 -19.105 -2.474 -15.278
121 HD2 ARG 15 1HD ARG 15 -19.198 -0.469 -16.670
122 HD3 ARG 15 2HD ARG 15 -20.216 -1.318 -17.833
123 HH11 ARG 15 1HH1 ARG 15 -21.717 -2.691 -17.628
124 HH12 ARG 15 2HH1 ARG 15 -23.392 -2.806 -17.199
125 HH21 ARG 15 1HH2 ARG 15 -23.247 -0.268 -14.798
126 HH22 ARG 15 2HH2 ARG 15 -24.261 -1.427 -15.589
127 H GLY 16 H GLY 16 -19.280 -5.798 -15.580
128 HA2 GLY 16 1HA GLY 16 -20.561 -7.609 -16.172
129 HA3 GLY 16 2HA GLY 16 -20.722 -6.805 -17.726
130 H ARG 17 H ARG 17 -19.791 -7.698 -19.469
131 HA ARG 17 HA ARG 17 -18.655 -10.299 -19.255
132 HE ARG 17 HE ARG 17 -16.887 -9.008 -23.096
133 HB2 ARG 17 1HB ARG 17 -20.042 -9.409 -21.182
134 HB3 ARG 17 2HB ARG 17 -18.613 -8.518 -21.690
135 HG2 ARG 17 1HG ARG 17 -17.469 -10.860 -21.599
136 HG3 ARG 17 2HG ARG 17 -19.127 -11.453 -21.719
137 HD2 ARG 17 1HD ARG 17 -18.268 -11.317 -23.932
138 HD3 ARG 17 2HD ARG 17 -19.405 -9.984 -23.731
139 HH11 ARG 17 1HH1 ARG 17 -18.529 -10.330 -25.866
140 HH12 ARG 17 2HH1 ARG 17 -17.588 -9.436 -27.014
141 HH21 ARG 17 1HH2 ARG 17 -15.641 -7.826 -24.597
142 HH22 ARG 17 2HH2 ARG 17 -15.945 -8.013 -26.291
Start of MODEL 12
1 HA LEU 1 HA LEU 1 0.856 1.039 -3.011
2 HG LEU 1 HG LEU 1 -1.640 3.000 -3.054
3 H1 LEU 1 1H LEU 1 1.049 1.178 -5.911
4 HB2 LEU 1 1HB LEU 1 1.241 3.211 -3.898
5 HB3 LEU 1 2HB LEU 1 -0.085 3.044 -5.047
6 HD11 LEU 1 1HD1 LEU 1 -0.925 3.429 -0.940
7 HD12 LEU 1 2HD1 LEU 1 0.474 4.357 -1.479
8 HD13 LEU 1 3HD1 LEU 1 0.505 2.595 -1.547
9 HD21 LEU 1 3HD2 LEU 1 -1.393 4.960 -4.475
10 HD22 LEU 1 1HD2 LEU 1 0.005 5.482 -3.535
11 HD23 LEU 1 2HD2 LEU 1 -1.592 5.435 -2.787
12 H GLY 2 H GLY 2 -0.610 -0.309 -2.194
13 HA2 GLY 2 1HA GLY 2 -2.940 -0.640 -1.667
14 HA3 GLY 2 2HA GLY 2 -3.327 -0.234 -3.333
15 H ARG 3 H ARG 3 -4.608 -2.264 -3.082
16 HA ARG 3 HA ARG 3 -3.506 -4.785 -2.737
17 HE ARG 3 HE ARG 3 -8.299 -4.148 -1.063
18 HB2 ARG 3 1HB ARG 3 -5.840 -3.891 -4.431
19 HB3 ARG 3 2HB ARG 3 -5.442 -5.581 -4.150
20 HG2 ARG 3 1HG ARG 3 -6.976 -5.298 -2.508
21 HG3 ARG 3 2HG ARG 3 -5.535 -4.794 -1.622
22 HD2 ARG 3 1HD ARG 3 -6.065 -2.532 -1.807
23 HD3 ARG 3 2HD ARG 3 -7.171 -2.806 -3.152
24 HH11 ARG 3 1HH1 ARG 3 -7.249 -0.873 -1.602
25 HH12 ARG 3 2HH1 ARG 3 -8.428 -0.181 -0.537
26 HH21 ARG 3 1HH2 ARG 3 -9.856 -3.250 0.342
27 HH22 ARG 3 2HH2 ARG 3 -9.910 -1.534 0.569
28 H VAL 4 H VAL 4 -2.712 -6.358 -4.140
29 HA VAL 4 HA VAL 4 -1.097 -5.395 -6.274
30 HB VAL 4 HB VAL 4 -1.775 -8.279 -5.702
31 HG11 VAL 4 1HG1 VAL 4 0.697 -8.429 -6.530
32 HG12 VAL 4 2HG1 VAL 4 -0.619 -8.283 -7.696
33 HG13 VAL 4 3HG1 VAL 4 0.341 -6.867 -7.265
34 HG21 VAL 4 3HG2 VAL 4 0.701 -7.700 -4.566
35 HG22 VAL 4 1HG2 VAL 4 -0.344 -6.364 -4.082
36 HG23 VAL 4 2HG2 VAL 4 -0.808 -8.025 -3.712
37 H ASP 5 H ASP 5 -4.349 -6.201 -6.119
38 HA ASP 5 HA ASP 5 -4.460 -6.500 -9.046
39 HB2 ASP 5 1HB ASP 5 -5.891 -8.071 -6.927
40 HB3 ASP 5 2HB ASP 5 -6.632 -7.847 -8.510
41 H ILE 6 H ILE 6 -6.308 -5.610 -10.072
42 HA ILE 6 HA ILE 6 -7.911 -3.785 -8.415
43 HB ILE 6 HB ILE 6 -6.752 -3.043 -11.102
44 HG12 ILE 6 1HG1 ILE 6 -5.604 -1.292 -9.450
45 HG13 ILE 6 2HG1 ILE 6 -5.790 -2.623 -8.313
46 HG21 ILE 6 1HG2 ILE 6 -7.580 -0.796 -10.544
47 HG22 ILE 6 2HG2 ILE 6 -8.882 -1.980 -10.647
48 HG23 ILE 6 3HG2 ILE 6 -8.303 -1.443 -9.071
49 HD11 ILE 6 3HD1 ILE 6 -3.994 -2.335 -10.619
50 HD12 ILE 6 1HD1 ILE 6 -3.771 -3.202 -9.099
51 HD13 ILE 6 2HD1 ILE 6 -4.714 -3.930 -10.400
52 H HIS 7 H HIS 7 -10.014 -3.438 -9.087
53 HA HIS 7 HA HIS 7 -11.319 -5.502 -10.427
54 HD1 HIS 7 HD1 HIS 7 -14.656 -3.883 -8.265
55 HD2 HIS 7 HD2 HIS 7 -13.572 -5.658 -11.861
56 HE1 HIS 7 HE1 HIS 7 -16.588 -5.365 -8.892
57 HB2 HIS 7 1HB HIS 7 -12.197 -3.548 -8.869
58 HB3 HIS 7 2HB HIS 7 -12.537 -2.775 -10.414
59 H VAL 8 H VAL 8 -10.699 -2.190 -11.603
60 HA VAL 8 HA VAL 8 -11.644 -2.612 -14.211
61 HB VAL 8 HB VAL 8 -10.344 -0.604 -14.829
62 HG11 VAL 8 1HG1 VAL 8 -12.574 -0.628 -13.506
63 HG12 VAL 8 2HG1 VAL 8 -11.585 -0.044 -12.166
64 HG13 VAL 8 3HG1 VAL 8 -11.680 0.885 -13.663
65 HG21 VAL 8 3HG2 VAL 8 -8.882 0.491 -13.343
66 HG22 VAL 8 1HG2 VAL 8 -9.387 -0.511 -11.982
67 HG23 VAL 8 2HG2 VAL 8 -8.418 -1.209 -13.280
68 H TRP 9 H TRP 9 -10.409 -2.710 -16.203
69 HA TRP 9 HA TRP 9 -7.833 -4.107 -15.902
70 HD1 TRP 9 HD1 TRP 9 -8.809 -5.445 -20.072
71 HE1 TRP 9 HE1 TRP 9 -6.804 -6.950 -20.657
72 HE3 TRP 9 HE3 TRP 9 -7.175 -6.495 -15.343
73 HZ2 TRP 9 HZ2 TRP 9 -4.797 -8.392 -19.294
74 HZ3 TRP 9 HZ3 TRP 9 -5.206 -7.946 -15.071
75 HH2 TRP 9 HH2 TRP 9 -4.043 -8.874 -17.007
76 HB2 TRP 9 1HB TRP 9 -9.623 -5.703 -16.484
77 HB3 TRP 9 2HB TRP 9 -10.003 -4.745 -17.913
78 H ASP 10 H ASP 10 -6.210 -3.184 -16.959
79 HA ASP 10 HA ASP 10 -5.033 -1.814 -18.344
80 HB2 ASP 10 1HB ASP 10 -6.060 -3.390 -20.025
81 HB3 ASP 10 2HB ASP 10 -7.317 -2.185 -20.287
82 H GLY 11 H GLY 11 -7.057 -0.676 -16.523
83 HA2 GLY 11 1HA GLY 11 -7.188 1.698 -16.128
84 HA3 GLY 11 2HA GLY 11 -7.310 1.935 -17.865
85 H VAL 12 H VAL 12 -9.274 0.019 -18.448
86 HA VAL 12 HA VAL 12 -11.582 0.755 -16.811
87 HB VAL 12 HB VAL 12 -12.901 1.236 -18.904
88 HG11 VAL 12 1HG1 VAL 12 -10.687 3.230 -18.562
89 HG12 VAL 12 2HG1 VAL 12 -12.402 3.516 -18.861
90 HG13 VAL 12 3HG1 VAL 12 -11.866 2.939 -17.283
91 HG21 VAL 12 3HG2 VAL 12 -10.655 2.144 -20.455
92 HG22 VAL 12 1HG2 VAL 12 -10.538 0.410 -20.152
93 HG23 VAL 12 2HG2 VAL 12 -11.979 1.076 -20.921
94 H TYR 13 H TYR 13 -12.840 -0.951 -16.454
95 HA TYR 13 HA TYR 13 -12.262 -3.501 -17.463
96 HD1 TYR 13 HD1 TYR 13 -16.395 -3.297 -17.482
97 HD2 TYR 13 HD2 TYR 13 -14.232 -1.063 -14.578
98 HE1 TYR 13 HE1 TYR 13 -18.334 -1.813 -17.189
99 HE2 TYR 13 HE2 TYR 13 -16.165 0.427 -14.276
100 HH TYR 13 HH TYR 13 -18.143 1.116 -15.343
101 HB2 TYR 13 1HB TYR 13 -14.359 -4.202 -16.380
102 HB3 TYR 13 2HB TYR 13 -13.401 -3.168 -15.327
103 H ILE 14 H ILE 14 -13.216 -4.779 -19.013
104 HA ILE 14 HA ILE 14 -14.240 -3.488 -21.306
105 HB ILE 14 HB ILE 14 -14.438 -6.433 -20.683
106 HG12 ILE 14 1HG1 ILE 14 -12.136 -5.705 -20.354
107 HG13 ILE 14 2HG1 ILE 14 -12.261 -6.640 -21.839
108 HG21 ILE 14 1HG2 ILE 14 -15.379 -4.948 -22.832
109 HG22 ILE 14 2HG2 ILE 14 -13.886 -5.678 -23.418
110 HG23 ILE 14 3HG2 ILE 14 -15.169 -6.698 -22.768
111 HD11 ILE 14 3HD1 ILE 14 -12.654 -4.049 -22.681
112 HD12 ILE 14 1HD1 ILE 14 -11.421 -3.899 -21.430
113 HD13 ILE 14 2HD1 ILE 14 -11.158 -4.975 -22.803
114 H ARG 15 H ARG 15 -16.241 -2.896 -21.810
115 HA ARG 15 HA ARG 15 -18.432 -3.660 -20.052
116 HE ARG 15 HE ARG 15 -20.324 -0.635 -23.007
117 HB2 ARG 15 1HB ARG 15 -17.890 -1.270 -20.967
118 HB3 ARG 15 2HB ARG 15 -18.730 -1.831 -22.407
119 HG2 ARG 15 1HG ARG 15 -20.059 -2.183 -19.773
120 HG3 ARG 15 2HG ARG 15 -19.991 -0.567 -20.478
121 HD2 ARG 15 1HD ARG 15 -21.109 -3.037 -21.801
122 HD3 ARG 15 2HD ARG 15 -22.051 -1.722 -21.100
123 HH11 ARG 15 1HH1 ARG 15 -23.080 -2.755 -22.842
124 HH12 ARG 15 2HH1 ARG 15 -23.657 -2.341 -24.422
125 HH21 ARG 15 1HH2 ARG 15 -21.074 -0.081 -25.089
126 HH22 ARG 15 2HH2 ARG 15 -22.515 -0.821 -25.700
127 H GLY 16 H GLY 16 -20.060 -5.000 -20.584
128 HA2 GLY 16 1HA GLY 16 -21.224 -6.601 -21.749
129 HA3 GLY 16 2HA GLY 16 -21.066 -5.517 -23.123
130 H ARG 17 H ARG 17 -18.927 -7.682 -21.258
131 HA ARG 17 HA ARG 17 -17.328 -8.303 -23.534
132 HE ARG 17 HE ARG 17 -13.851 -11.178 -23.352
133 HB2 ARG 17 1HB ARG 17 -16.727 -8.409 -21.006
134 HB3 ARG 17 2HB ARG 17 -17.446 -10.012 -21.069
135 HG2 ARG 17 1HG ARG 17 -15.366 -9.281 -23.071
136 HG3 ARG 17 2HG ARG 17 -14.880 -9.681 -21.422
137 HD2 ARG 17 1HD ARG 17 -15.926 -11.838 -21.580
138 HD3 ARG 17 2HD ARG 17 -16.618 -11.435 -23.150
139 HH11 ARG 17 1HH1 ARG 17 -16.221 -13.670 -22.806
140 HH12 ARG 17 2HH1 ARG 17 -15.258 -14.922 -23.518
141 HH21 ARG 17 1HH2 ARG 17 -12.575 -12.818 -24.291
142 HH22 ARG 17 2HH2 ARG 17 -13.184 -14.437 -24.361
Start of MODEL 13
1 HA LEU 1 HA LEU 1 3.568 -2.226 -3.536
2 HG LEU 1 HG LEU 1 3.386 -5.271 -1.466
3 H1 LEU 1 1H LEU 1 1.612 -0.720 -1.929
4 HB2 LEU 1 1HB LEU 1 3.030 -2.902 -1.047
5 HB3 LEU 1 2HB LEU 1 1.611 -3.637 -1.790
6 HD11 LEU 1 1HD1 LEU 1 3.504 -4.981 -4.387
7 HD12 LEU 1 2HD1 LEU 1 1.884 -4.948 -3.691
8 HD13 LEU 1 3HD1 LEU 1 2.941 -6.328 -3.397
9 HD21 LEU 1 3HD2 LEU 1 5.081 -3.885 -3.497
10 HD22 LEU 1 1HD2 LEU 1 5.534 -5.076 -2.277
11 HD23 LEU 1 2HD2 LEU 1 5.185 -3.414 -1.799
12 H GLY 2 H GLY 2 0.149 -1.702 -2.795
13 HA2 GLY 2 1HA GLY 2 -1.144 -1.375 -4.969
14 HA3 GLY 2 2HA GLY 2 -0.538 -2.976 -5.366
15 H ARG 3 H ARG 3 -2.872 -3.424 -5.603
16 HA ARG 3 HA ARG 3 -3.979 -4.295 -3.026
17 HE ARG 3 HE ARG 3 -7.041 -0.633 -5.660
18 HB2 ARG 3 1HB ARG 3 -5.613 -3.025 -5.229
19 HB3 ARG 3 2HB ARG 3 -6.210 -3.597 -3.677
20 HG2 ARG 3 1HG ARG 3 -4.864 -1.891 -2.542
21 HG3 ARG 3 2HG ARG 3 -4.306 -1.306 -4.110
22 HD2 ARG 3 1HD ARG 3 -7.234 -1.506 -3.546
23 HD3 ARG 3 2HD ARG 3 -6.310 -0.142 -2.918
24 HH11 ARG 3 1HH1 ARG 3 -4.854 1.018 -3.513
25 HH12 ARG 3 2HH1 ARG 3 -4.450 2.251 -4.662
26 HH21 ARG 3 1HH2 ARG 3 -6.518 0.985 -7.181
27 HH22 ARG 3 2HH2 ARG 3 -5.398 2.232 -6.747
28 H VAL 4 H VAL 4 -5.743 -5.933 -3.324
29 HA VAL 4 HA VAL 4 -4.816 -8.027 -5.011
30 HB VAL 4 HB VAL 4 -7.475 -7.918 -3.590
31 HG11 VAL 4 1HG1 VAL 4 -5.750 -10.140 -4.649
32 HG12 VAL 4 2HG1 VAL 4 -7.028 -10.415 -3.463
33 HG13 VAL 4 3HG1 VAL 4 -7.425 -9.763 -5.053
34 HG21 VAL 4 3HG2 VAL 4 -5.944 -9.330 -1.908
35 HG22 VAL 4 1HG2 VAL 4 -4.726 -8.224 -2.544
36 HG23 VAL 4 2HG2 VAL 4 -6.173 -7.587 -1.763
37 H ASP 5 H ASP 5 -6.766 -5.365 -5.615
38 HA ASP 5 HA ASP 5 -7.461 -6.363 -8.230
39 HB2 ASP 5 1HB ASP 5 -9.805 -6.231 -8.079
40 HB3 ASP 5 2HB ASP 5 -9.323 -7.088 -6.617
41 H ILE 6 H ILE 6 -7.838 -4.735 -9.712
42 HA ILE 6 HA ILE 6 -7.289 -2.023 -8.728
43 HB ILE 6 HB ILE 6 -7.096 -3.023 -11.569
44 HG12 ILE 6 1HG1 ILE 6 -4.539 -2.664 -10.890
45 HG13 ILE 6 2HG1 ILE 6 -5.167 -3.077 -9.298
46 HG21 ILE 6 1HG2 ILE 6 -7.224 -0.756 -11.802
47 HG22 ILE 6 2HG2 ILE 6 -6.543 -0.442 -10.207
48 HG23 ILE 6 3HG2 ILE 6 -5.489 -0.928 -11.534
49 HD11 ILE 6 3HD1 ILE 6 -4.350 -4.836 -11.257
50 HD12 ILE 6 1HD1 ILE 6 -5.285 -5.229 -9.814
51 HD13 ILE 6 2HD1 ILE 6 -6.111 -4.898 -11.337
52 H HIS 7 H HIS 7 -8.516 -0.256 -9.420
53 HA HIS 7 HA HIS 7 -11.259 -0.567 -9.540
54 HD1 HIS 7 HD1 HIS 7 -11.489 2.605 -7.755
55 HD2 HIS 7 HD2 HIS 7 -12.892 1.817 -11.585
56 HE1 HIS 7 HE1 HIS 7 -13.815 3.558 -7.828
57 HB2 HIS 7 1HB HIS 7 -9.758 1.556 -9.171
58 HB3 HIS 7 2HB HIS 7 -9.983 1.774 -10.904
59 H VAL 8 H VAL 8 -9.214 0.433 -12.291
60 HA VAL 8 HA VAL 8 -11.225 -0.746 -14.091
61 HB VAL 8 HB VAL 8 -10.158 0.718 -15.850
62 HG11 VAL 8 1HG1 VAL 8 -11.782 1.620 -13.552
63 HG12 VAL 8 2HG1 VAL 8 -11.125 2.880 -14.598
64 HG13 VAL 8 3HG1 VAL 8 -12.155 1.618 -15.275
65 HG21 VAL 8 3HG2 VAL 8 -8.181 1.077 -14.021
66 HG22 VAL 8 1HG2 VAL 8 -8.477 2.139 -15.397
67 HG23 VAL 8 2HG2 VAL 8 -9.120 2.554 -13.808
68 H TRP 9 H TRP 9 -10.049 -1.203 -16.349
69 HA TRP 9 HA TRP 9 -7.504 -2.571 -15.901
70 HD1 TRP 9 HD1 TRP 9 -9.117 -5.882 -18.651
71 HE1 TRP 9 HE1 TRP 9 -7.031 -7.381 -18.824
72 HE3 TRP 9 HE3 TRP 9 -6.428 -3.986 -14.738
73 HZ2 TRP 9 HZ2 TRP 9 -4.572 -7.715 -17.479
74 HZ3 TRP 9 HZ3 TRP 9 -4.219 -4.952 -14.247
75 HH2 TRP 9 HH2 TRP 9 -3.312 -6.778 -15.591
76 HB2 TRP 9 1HB TRP 9 -9.346 -4.218 -15.506
77 HB3 TRP 9 2HB TRP 9 -9.877 -3.956 -17.166
78 H ASP 10 H ASP 10 -6.155 -1.955 -17.444
79 HA ASP 10 HA ASP 10 -5.329 -1.164 -19.412
80 HB2 ASP 10 1HB ASP 10 -6.330 -3.462 -20.048
81 HB3 ASP 10 2HB ASP 10 -7.617 -2.531 -20.808
82 H GLY 11 H GLY 11 -6.952 0.641 -18.078
83 HA2 GLY 11 1HA GLY 11 -7.472 2.847 -18.865
84 HA3 GLY 11 2HA GLY 11 -8.064 2.134 -20.358
85 H VAL 12 H VAL 12 -9.880 0.368 -19.754
86 HA VAL 12 HA VAL 12 -11.661 1.367 -17.682
87 HB VAL 12 HB VAL 12 -13.578 1.460 -19.329
88 HG11 VAL 12 1HG1 VAL 12 -13.048 3.755 -20.057
89 HG12 VAL 12 2HG1 VAL 12 -12.647 3.475 -18.362
90 HG13 VAL 12 3HG1 VAL 12 -11.370 3.500 -19.579
91 HG21 VAL 12 3HG2 VAL 12 -11.957 2.210 -21.583
92 HG22 VAL 12 1HG2 VAL 12 -11.612 0.549 -21.100
93 HG23 VAL 12 2HG2 VAL 12 -13.264 1.030 -21.488
94 H TYR 13 H TYR 13 -13.000 -0.177 -16.878
95 HA TYR 13 HA TYR 13 -12.439 -2.886 -17.436
96 HD1 TYR 13 HD1 TYR 13 -15.688 -4.167 -17.018
97 HD2 TYR 13 HD2 TYR 13 -12.662 -3.772 -14.054
98 HE1 TYR 13 HE1 TYR 13 -16.046 -6.506 -16.349
99 HE2 TYR 13 HE2 TYR 13 -13.010 -6.111 -13.377
100 HH TYR 13 HH TYR 13 -13.912 -8.232 -14.485
101 HB2 TYR 13 1HB TYR 13 -13.303 -1.900 -15.255
102 HB3 TYR 13 2HB TYR 13 -14.895 -1.874 -16.005
103 H ILE 14 H ILE 14 -13.398 -4.352 -18.725
104 HA ILE 14 HA ILE 14 -15.743 -3.466 -20.276
105 HB ILE 14 HB ILE 14 -13.617 -5.390 -21.218
106 HG12 ILE 14 1HG1 ILE 14 -12.693 -3.125 -20.953
107 HG13 ILE 14 2HG1 ILE 14 -12.818 -3.571 -22.652
108 HG21 ILE 14 1HG2 ILE 14 -15.261 -5.936 -22.639
109 HG22 ILE 14 2HG2 ILE 14 -16.201 -4.495 -22.257
110 HG23 ILE 14 3HG2 ILE 14 -14.881 -4.402 -23.422
111 HD11 ILE 14 3HD1 ILE 14 -14.906 -2.267 -22.798
112 HD12 ILE 14 1HD1 ILE 14 -14.670 -1.758 -21.126
113 HD13 ILE 14 2HD1 ILE 14 -13.503 -1.291 -22.364
114 H ARG 15 H ARG 15 -17.472 -4.488 -19.495
115 HA ARG 15 HA ARG 15 -17.327 -7.054 -18.236
116 HE ARG 15 HE ARG 15 -19.477 -4.861 -14.497
117 HB2 ARG 15 1HB ARG 15 -19.465 -5.074 -18.835
118 HB3 ARG 15 2HB ARG 15 -19.959 -6.738 -18.553
119 HG2 ARG 15 1HG ARG 15 -18.791 -6.690 -16.385
120 HG3 ARG 15 2HG ARG 15 -18.385 -4.995 -16.669
121 HD2 ARG 15 1HD ARG 15 -20.804 -4.490 -16.826
122 HD3 ARG 15 2HD ARG 15 -21.152 -6.171 -16.425
123 HH11 ARG 15 1HH1 ARG 15 -22.759 -5.436 -15.505
124 HH12 ARG 15 2HH1 ARG 15 -23.429 -5.163 -13.931
125 HH21 ARG 15 1HH2 ARG 15 -20.346 -4.499 -12.419
126 HH22 ARG 15 2HH2 ARG 15 -22.055 -4.629 -12.176
127 H GLY 16 H GLY 16 -18.158 -9.022 -18.956
128 HA2 GLY 16 1HA GLY 16 -18.603 -10.669 -20.490
129 HA3 GLY 16 2HA GLY 16 -19.509 -9.449 -21.372
130 H ARG 17 H ARG 17 -18.731 -8.731 -23.266
131 HA ARG 17 HA ARG 17 -16.183 -9.845 -24.166
132 HE ARG 17 HE ARG 17 -18.006 -11.572 -27.912
133 HB2 ARG 17 1HB ARG 17 -18.389 -10.044 -25.472
134 HB3 ARG 17 2HB ARG 17 -18.158 -8.348 -25.873
135 HG2 ARG 17 1HG ARG 17 -17.271 -9.488 -27.693
136 HG3 ARG 17 2HG ARG 17 -15.855 -9.056 -26.733
137 HD2 ARG 17 1HD ARG 17 -15.406 -11.260 -27.181
138 HD3 ARG 17 2HD ARG 17 -16.264 -11.408 -25.647
139 HH11 ARG 17 1HH1 ARG 17 -15.813 -13.368 -25.891
140 HH12 ARG 17 2HH1 ARG 17 -16.553 -14.899 -26.224
141 HH21 ARG 17 1HH2 ARG 17 -18.990 -13.581 -28.357
142 HH22 ARG 17 2HH2 ARG 17 -18.360 -15.019 -27.628
Start of MODEL 14
1 HA LEU 1 HA LEU 1 0.216 -0.757 -0.526
2 HG LEU 1 HG LEU 1 3.340 -0.776 0.327
3 H1 LEU 1 1H LEU 1 2.479 -2.538 -0.839
4 HB2 LEU 1 1HB LEU 1 2.787 -0.280 -2.021
5 HB3 LEU 1 2HB LEU 1 1.629 0.934 -1.479
6 HD11 LEU 1 1HD1 LEU 1 4.693 1.129 0.686
7 HD12 LEU 1 2HD1 LEU 1 3.590 2.173 -0.209
8 HD13 LEU 1 3HD1 LEU 1 4.537 0.954 -1.063
9 HD21 LEU 1 3HD2 LEU 1 1.326 1.395 0.845
10 HD22 LEU 1 1HD2 LEU 1 2.571 0.958 2.016
11 HD23 LEU 1 2HD2 LEU 1 1.378 -0.239 1.511
12 H GLY 2 H GLY 2 -0.870 -2.643 -1.917
13 HA2 GLY 2 1HA GLY 2 -1.286 -1.448 -4.529
14 HA3 GLY 2 2HA GLY 2 -0.631 -3.078 -4.553
15 H ARG 3 H ARG 3 -2.683 -3.428 -5.774
16 HA ARG 3 HA ARG 3 -4.918 -3.914 -3.916
17 HE ARG 3 HE ARG 3 -5.440 -2.123 -2.986
18 HB2 ARG 3 1HB ARG 3 -4.997 -3.280 -6.870
19 HB3 ARG 3 2HB ARG 3 -6.398 -3.746 -5.916
20 HG2 ARG 3 1HG ARG 3 -4.757 -1.418 -5.044
21 HG3 ARG 3 2HG ARG 3 -5.885 -1.233 -6.389
22 HD2 ARG 3 1HD ARG 3 -7.210 -0.656 -4.597
23 HD3 ARG 3 2HD ARG 3 -7.572 -2.374 -4.763
24 HH11 ARG 3 1HH1 ARG 3 -8.810 -1.269 -3.178
25 HH12 ARG 3 2HH1 ARG 3 -9.062 -1.350 -1.466
26 HH21 ARG 3 1HH2 ARG 3 -5.760 -2.234 -0.730
27 HH22 ARG 3 2HH2 ARG 3 -7.327 -1.898 -0.074
28 H VAL 4 H VAL 4 -6.366 -5.732 -4.627
29 HA VAL 4 HA VAL 4 -4.717 -7.954 -5.639
30 HB VAL 4 HB VAL 4 -7.175 -8.197 -3.906
31 HG11 VAL 4 1HG1 VAL 4 -5.734 -10.422 -3.469
32 HG12 VAL 4 2HG1 VAL 4 -6.966 -10.293 -4.726
33 HG13 VAL 4 3HG1 VAL 4 -5.263 -10.081 -5.133
34 HG21 VAL 4 3HG2 VAL 4 -4.958 -8.913 -2.391
35 HG22 VAL 4 1HG2 VAL 4 -4.481 -7.419 -3.199
36 HG23 VAL 4 2HG2 VAL 4 -5.938 -7.458 -2.206
37 H ASP 5 H ASP 5 -7.310 -5.965 -6.387
38 HA ASP 5 HA ASP 5 -8.055 -7.687 -8.612
39 HB2 ASP 5 1HB ASP 5 -10.223 -6.490 -6.891
40 HB3 ASP 5 2HB ASP 5 -10.389 -7.678 -8.180
41 H ILE 6 H ILE 6 -8.410 -6.560 -10.431
42 HA ILE 6 HA ILE 6 -8.857 -3.658 -10.198
43 HB ILE 6 HB ILE 6 -7.055 -5.007 -12.212
44 HG12 ILE 6 1HG1 ILE 6 -5.410 -3.354 -10.937
45 HG13 ILE 6 2HG1 ILE 6 -6.559 -3.602 -9.626
46 HG21 ILE 6 1HG2 ILE 6 -6.489 -2.384 -12.396
47 HG22 ILE 6 2HG2 ILE 6 -7.670 -3.203 -13.418
48 HG23 ILE 6 3HG2 ILE 6 -8.206 -2.303 -11.999
49 HD11 ILE 6 3HD1 ILE 6 -5.650 -5.555 -9.144
50 HD12 ILE 6 1HD1 ILE 6 -5.867 -6.118 -10.800
51 HD13 ILE 6 2HD1 ILE 6 -4.409 -5.231 -10.354
52 H HIS 7 H HIS 7 -10.255 -2.743 -11.647
53 HA HIS 7 HA HIS 7 -11.764 -4.624 -13.323
54 HD1 HIS 7 HD1 HIS 7 -14.093 -5.389 -12.561
55 HD2 HIS 7 HD2 HIS 7 -14.907 -1.664 -14.212
56 HE1 HIS 7 HE1 HIS 7 -16.269 -5.660 -13.793
57 HB2 HIS 7 1HB HIS 7 -12.835 -3.118 -11.475
58 HB3 HIS 7 2HB HIS 7 -12.694 -1.844 -12.683
59 H VAL 8 H VAL 8 -10.510 -1.290 -13.380
60 HA VAL 8 HA VAL 8 -10.997 -0.793 -16.094
61 HB VAL 8 HB VAL 8 -9.309 0.993 -15.910
62 HG11 VAL 8 1HG1 VAL 8 -11.409 0.648 -13.816
63 HG12 VAL 8 2HG1 VAL 8 -10.367 2.072 -13.784
64 HG13 VAL 8 3HG1 VAL 8 -11.370 1.743 -15.198
65 HG21 VAL 8 3HG2 VAL 8 -8.296 -0.675 -13.839
66 HG22 VAL 8 1HG2 VAL 8 -7.602 0.803 -14.504
67 HG23 VAL 8 2HG2 VAL 8 -8.717 0.889 -13.141
68 H TRP 9 H TRP 9 -9.702 -0.923 -17.924
69 HA TRP 9 HA TRP 9 -7.169 -2.375 -17.698
70 HD1 TRP 9 HD1 TRP 9 -10.479 -5.103 -17.596
71 HE1 TRP 9 HE1 TRP 9 -9.429 -7.003 -16.214
72 HE3 TRP 9 HE3 TRP 9 -5.543 -4.146 -18.521
73 HZ2 TRP 9 HZ2 TRP 9 -6.849 -7.968 -15.596
74 HZ3 TRP 9 HZ3 TRP 9 -3.847 -5.605 -17.496
75 HH2 TRP 9 HH2 TRP 9 -4.488 -7.475 -16.064
76 HB2 TRP 9 1HB TRP 9 -9.615 -3.277 -19.157
77 HB3 TRP 9 2HB TRP 9 -8.039 -3.616 -19.868
78 H ASP 10 H ASP 10 -5.672 -1.220 -18.699
79 HA ASP 10 HA ASP 10 -4.643 0.234 -20.117
80 HB2 ASP 10 1HB ASP 10 -5.436 -1.676 -21.669
81 HB3 ASP 10 2HB ASP 10 -6.661 -0.533 -22.211
82 H GLY 11 H GLY 11 -6.964 1.165 -18.539
83 HA2 GLY 11 1HA GLY 11 -7.546 3.481 -18.350
84 HA3 GLY 11 2HA GLY 11 -7.478 3.604 -20.102
85 H VAL 12 H VAL 12 -9.047 1.504 -20.897
86 HA VAL 12 HA VAL 12 -11.683 2.490 -20.155
87 HB VAL 12 HB VAL 12 -12.516 1.165 -22.032
88 HG11 VAL 12 1HG1 VAL 12 -10.624 2.240 -23.714
89 HG12 VAL 12 2HG1 VAL 12 -12.033 3.084 -23.070
90 HG13 VAL 12 3HG1 VAL 12 -10.472 3.228 -22.261
91 HG21 VAL 12 3HG2 VAL 12 -10.475 0.238 -23.495
92 HG22 VAL 12 1HG2 VAL 12 -9.803 -0.003 -21.882
93 HG23 VAL 12 2HG2 VAL 12 -11.339 -0.752 -22.319
94 H TYR 13 H TYR 13 -13.274 1.301 -19.190
95 HA TYR 13 HA TYR 13 -12.465 -1.328 -18.134
96 HD1 TYR 13 HD1 TYR 13 -13.921 2.609 -17.195
97 HD2 TYR 13 HD2 TYR 13 -16.143 -0.936 -16.422
98 HE1 TYR 13 HE1 TYR 13 -15.997 3.927 -17.148
99 HE2 TYR 13 HE2 TYR 13 -18.225 0.372 -16.374
100 HH TYR 13 HH TYR 13 -18.205 3.879 -16.946
101 HB2 TYR 13 1HB TYR 13 -13.728 -0.900 -16.169
102 HB3 TYR 13 2HB TYR 13 -12.807 0.568 -16.480
103 H ILE 14 H ILE 14 -13.807 -3.050 -18.365
104 HA ILE 14 HA ILE 14 -16.420 -2.591 -19.637
105 HB ILE 14 HB ILE 14 -14.454 -4.743 -20.430
106 HG12 ILE 14 1HG1 ILE 14 -14.844 -3.411 -22.695
107 HG13 ILE 14 2HG1 ILE 14 -15.184 -2.088 -21.585
108 HG21 ILE 14 1HG2 ILE 14 -16.211 -5.015 -22.302
109 HG22 ILE 14 2HG2 ILE 14 -16.543 -5.713 -20.718
110 HG23 ILE 14 3HG2 ILE 14 -17.297 -4.189 -21.184
111 HD11 ILE 14 3HD1 ILE 14 -12.996 -1.716 -21.623
112 HD12 ILE 14 1HD1 ILE 14 -12.854 -3.138 -20.590
113 HD13 ILE 14 2HD1 ILE 14 -12.653 -3.292 -22.336
114 H ARG 15 H ARG 15 -18.057 -3.978 -19.049
115 HA ARG 15 HA ARG 15 -17.682 -5.379 -16.561
116 HE ARG 15 HE ARG 15 -22.939 -4.495 -17.255
117 HB2 ARG 15 1HB ARG 15 -19.715 -4.107 -16.885
118 HB3 ARG 15 2HB ARG 15 -20.105 -5.028 -18.332
119 HG2 ARG 15 1HG ARG 15 -20.749 -6.888 -17.140
120 HG3 ARG 15 2HG ARG 15 -19.784 -6.447 -15.729
121 HD2 ARG 15 1HD ARG 15 -21.945 -6.009 -15.020
122 HD3 ARG 15 2HD ARG 15 -21.390 -4.426 -15.564
123 HH11 ARG 15 1HH1 ARG 15 -22.616 -7.664 -15.849
124 HH12 ARG 15 2HH1 ARG 15 -23.972 -8.324 -16.703
125 HH21 ARG 15 1HH2 ARG 15 -24.725 -5.352 -18.385
126 HH22 ARG 15 2HH2 ARG 15 -25.170 -7.008 -18.146
127 H GLY 16 H GLY 16 -17.698 -7.554 -16.201
128 HA2 GLY 16 1HA GLY 16 -17.424 -9.786 -16.660
129 HA3 GLY 16 2HA GLY 16 -18.584 -9.537 -17.956
130 H ARG 17 H ARG 17 -15.251 -8.395 -17.422
131 HA ARG 17 HA ARG 17 -14.605 -8.972 -20.183
132 HE ARG 17 HE ARG 17 -12.819 -9.697 -21.479
133 HB2 ARG 17 1HB ARG 17 -13.763 -6.917 -19.190
134 HB3 ARG 17 2HB ARG 17 -12.940 -7.832 -17.933
135 HG2 ARG 17 1HG ARG 17 -11.296 -7.193 -19.503
136 HG3 ARG 17 2HG ARG 17 -11.589 -8.915 -19.752
137 HD2 ARG 17 1HD ARG 17 -13.135 -6.926 -21.349
138 HD3 ARG 17 2HD ARG 17 -11.461 -7.266 -21.787
139 HH11 ARG 17 1HH1 ARG 17 -12.751 -6.931 -23.592
140 HH12 ARG 17 2HH1 ARG 17 -13.282 -7.818 -24.983
141 HH21 ARG 17 1HH2 ARG 17 -13.518 -10.875 -23.303
142 HH22 ARG 17 2HH2 ARG 17 -13.719 -10.060 -24.817
Start of MODEL 15
1 HA LEU 1 HA LEU 1 -1.332 -0.408 -1.390
2 HG LEU 1 HG LEU 1 1.070 0.085 -1.260
3 H1 LEU 1 1H LEU 1 -1.274 -3.312 -1.229
4 HB2 LEU 1 1HB LEU 1 0.379 -2.568 -2.515
5 HB3 LEU 1 2HB LEU 1 0.323 -1.018 -3.351
6 HD11 LEU 1 1HD1 LEU 1 0.576 -1.159 0.567
7 HD12 LEU 1 2HD1 LEU 1 2.217 -1.745 0.302
8 HD13 LEU 1 3HD1 LEU 1 0.841 -2.692 -0.264
9 HD21 LEU 1 3HD2 LEU 1 2.555 -1.396 -3.099
10 HD22 LEU 1 1HD2 LEU 1 3.235 -1.799 -1.522
11 HD23 LEU 1 2HD2 LEU 1 3.142 -0.115 -2.038
12 H GLY 2 H GLY 2 -3.711 -0.713 -2.027
13 HA2 GLY 2 1HA GLY 2 -4.983 0.105 -3.873
14 HA3 GLY 2 2HA GLY 2 -3.822 -0.638 -4.962
15 H ARG 3 H ARG 3 -5.885 -1.382 -5.970
16 HA ARG 3 HA ARG 3 -7.606 -3.213 -4.738
17 HE ARG 3 HE ARG 3 -10.204 -3.305 -7.736
18 HB2 ARG 3 1HB ARG 3 -6.850 -3.065 -7.662
19 HB3 ARG 3 2HB ARG 3 -8.278 -3.849 -7.001
20 HG2 ARG 3 1HG ARG 3 -7.788 -0.942 -6.512
21 HG3 ARG 3 2HG ARG 3 -8.488 -1.495 -8.035
22 HD2 ARG 3 1HD ARG 3 -9.582 -2.106 -5.292
23 HD3 ARG 3 2HD ARG 3 -10.197 -0.857 -6.375
24 HH11 ARG 3 1HH1 ARG 3 -11.813 -1.730 -5.080
25 HH12 ARG 3 2HH1 ARG 3 -13.289 -2.616 -5.279
26 HH21 ARG 3 1HH2 ARG 3 -12.142 -4.477 -8.008
27 HH22 ARG 3 2HH2 ARG 3 -13.474 -4.179 -6.944
28 H VAL 4 H VAL 4 -7.715 -5.474 -4.791
29 HA VAL 4 HA VAL 4 -5.395 -6.876 -4.253
30 HB VAL 4 HB VAL 4 -7.934 -8.059 -5.385
31 HG11 VAL 4 1HG1 VAL 4 -7.189 -10.013 -3.936
32 HG12 VAL 4 2HG1 VAL 4 -6.276 -9.728 -5.420
33 HG13 VAL 4 3HG1 VAL 4 -5.616 -9.219 -3.865
34 HG21 VAL 4 3HG2 VAL 4 -7.992 -8.439 -2.667
35 HG22 VAL 4 1HG2 VAL 4 -7.341 -6.807 -2.818
36 HG23 VAL 4 2HG2 VAL 4 -8.894 -7.207 -3.551
37 H ASP 5 H ASP 5 -7.256 -6.871 -7.292
38 HA ASP 5 HA ASP 5 -4.796 -7.691 -8.687
39 HB2 ASP 5 1HB ASP 5 -6.767 -9.431 -8.399
40 HB3 ASP 5 2HB ASP 5 -7.460 -8.534 -9.747
41 H ILE 6 H ILE 6 -4.949 -7.235 -11.090
42 HA ILE 6 HA ILE 6 -6.254 -4.622 -11.483
43 HB ILE 6 HB ILE 6 -3.798 -5.670 -12.893
44 HG12 ILE 6 1HG1 ILE 6 -2.860 -3.599 -11.499
45 HG13 ILE 6 2HG1 ILE 6 -4.175 -4.050 -10.419
46 HG21 ILE 6 1HG2 ILE 6 -3.941 -3.919 -14.260
47 HG22 ILE 6 2HG2 ILE 6 -5.579 -3.687 -13.651
48 HG23 ILE 6 3HG2 ILE 6 -4.235 -2.809 -12.922
49 HD11 ILE 6 3HD1 ILE 6 -1.782 -5.039 -10.106
50 HD12 ILE 6 1HD1 ILE 6 -3.209 -6.045 -9.858
51 HD13 ILE 6 2HD1 ILE 6 -2.302 -6.157 -11.367
52 H HIS 7 H HIS 7 -7.964 -4.719 -12.768
53 HA HIS 7 HA HIS 7 -7.950 -6.656 -14.989
54 HD1 HIS 7 HD1 HIS 7 -8.792 -8.901 -13.396
55 HD2 HIS 7 HD2 HIS 7 -11.782 -7.507 -15.921
56 HE1 HIS 7 HE1 HIS 7 -9.732 -10.946 -14.519
57 HB2 HIS 7 1HB HIS 7 -9.807 -6.387 -12.909
58 HB3 HIS 7 2HB HIS 7 -10.591 -5.679 -14.318
59 H VAL 8 H VAL 8 -7.865 -3.407 -14.183
60 HA VAL 8 HA VAL 8 -9.445 -2.227 -16.187
61 HB VAL 8 HB VAL 8 -8.039 -0.218 -15.872
62 HG11 VAL 8 1HG1 VAL 8 -9.457 -1.659 -13.778
63 HG12 VAL 8 2HG1 VAL 8 -8.295 -0.493 -13.145
64 HG13 VAL 8 3HG1 VAL 8 -9.559 0.035 -14.256
65 HG21 VAL 8 3HG2 VAL 8 -6.452 -1.883 -13.924
66 HG22 VAL 8 1HG2 VAL 8 -5.907 -1.490 -15.555
67 HG23 VAL 8 2HG2 VAL 8 -6.173 -0.202 -14.379
68 H TRP 9 H TRP 9 -8.639 -1.022 -18.078
69 HA TRP 9 HA TRP 9 -6.166 -1.955 -19.270
70 HD1 TRP 9 HD1 TRP 9 -9.087 -5.270 -19.748
71 HE1 TRP 9 HE1 TRP 9 -7.466 -7.245 -19.434
72 HE3 TRP 9 HE3 TRP 9 -4.672 -2.837 -20.596
73 HZ2 TRP 9 HZ2 TRP 9 -4.683 -7.709 -19.533
74 HZ3 TRP 9 HZ3 TRP 9 -2.575 -4.119 -20.467
75 HH2 TRP 9 HH2 TRP 9 -2.583 -6.504 -19.946
76 HB2 TRP 9 1HB TRP 9 -8.873 -2.781 -20.247
77 HB3 TRP 9 2HB TRP 9 -7.583 -2.511 -21.415
78 H ASP 10 H ASP 10 -5.244 -0.198 -20.070
79 HA ASP 10 HA ASP 10 -4.937 1.877 -20.956
80 HB2 ASP 10 1HB ASP 10 -7.459 1.470 -22.542
81 HB3 ASP 10 2HB ASP 10 -5.978 2.297 -23.018
82 H GLY 11 H GLY 11 -6.614 1.615 -18.556
83 HA2 GLY 11 1HA GLY 11 -7.331 3.525 -17.288
84 HA3 GLY 11 2HA GLY 11 -7.962 4.224 -18.772
85 H VAL 12 H VAL 12 -9.530 2.339 -19.832
86 HA VAL 12 HA VAL 12 -11.729 2.243 -17.943
87 HB VAL 12 HB VAL 12 -13.088 1.504 -19.836
88 HG11 VAL 12 1HG1 VAL 12 -12.405 3.948 -19.424
89 HG12 VAL 12 2HG1 VAL 12 -11.384 3.753 -20.850
90 HG13 VAL 12 3HG1 VAL 12 -13.130 3.536 -20.978
91 HG21 VAL 12 3HG2 VAL 12 -11.639 1.748 -22.105
92 HG22 VAL 12 1HG2 VAL 12 -10.439 1.034 -21.029
93 HG23 VAL 12 2HG2 VAL 12 -11.973 0.210 -21.309
94 H TYR 13 H TYR 13 -12.763 0.398 -17.226
95 HA TYR 13 HA TYR 13 -11.272 -2.113 -17.616
96 HD1 TYR 13 HD1 TYR 13 -12.976 0.726 -14.990
97 HD2 TYR 13 HD2 TYR 13 -14.050 -3.386 -14.800
98 HE1 TYR 13 HE1 TYR 13 -15.078 1.334 -13.866
99 HE2 TYR 13 HE2 TYR 13 -16.156 -2.790 -13.677
100 HH TYR 13 HH TYR 13 -16.726 0.026 -12.215
101 HB2 TYR 13 1HB TYR 13 -11.835 -2.761 -15.402
102 HB3 TYR 13 2HB TYR 13 -11.297 -1.089 -15.292
103 H ILE 14 H ILE 14 -12.362 -3.961 -18.131
104 HA ILE 14 HA ILE 14 -14.898 -3.683 -19.392
105 HB ILE 14 HB ILE 14 -13.526 -6.271 -18.671
106 HG12 ILE 14 1HG1 ILE 14 -11.945 -4.845 -19.861
107 HG13 ILE 14 2HG1 ILE 14 -12.489 -6.147 -20.912
108 HG21 ILE 14 1HG2 ILE 14 -15.997 -5.781 -19.811
109 HG22 ILE 14 2HG2 ILE 14 -14.955 -6.128 -21.190
110 HG23 ILE 14 3HG2 ILE 14 -15.096 -7.296 -19.875
111 HD11 ILE 14 3HD1 ILE 14 -14.264 -4.076 -21.403
112 HD12 ILE 14 1HD1 ILE 14 -12.691 -3.293 -21.253
113 HD13 ILE 14 2HD1 ILE 14 -12.922 -4.591 -22.425
114 H ARG 15 H ARG 15 -16.761 -3.527 -18.343
115 HA ARG 15 HA ARG 15 -17.056 -4.700 -15.692
116 HE ARG 15 HE ARG 15 -21.345 -2.011 -16.407
117 HB2 ARG 15 1HB ARG 15 -17.809 -2.397 -16.025
118 HB3 ARG 15 2HB ARG 15 -18.908 -2.925 -17.292
119 HG2 ARG 15 1HG ARG 15 -20.347 -3.958 -15.788
120 HG3 ARG 15 2HG ARG 15 -19.123 -4.026 -14.519
121 HD2 ARG 15 1HD ARG 15 -20.375 -2.278 -13.751
122 HD3 ARG 15 2HD ARG 15 -19.229 -1.400 -14.763
123 HH11 ARG 15 1HH1 ARG 15 -20.891 -0.259 -13.433
124 HH12 ARG 15 2HH1 ARG 15 -22.196 0.841 -13.730
125 HH21 ARG 15 1HH2 ARG 15 -23.064 -0.568 -16.810
126 HH22 ARG 15 2HH2 ARG 15 -23.432 0.664 -15.651
127 H GLY 16 H GLY 16 -18.048 -6.573 -15.326
128 HA2 GLY 16 1HA GLY 16 -19.242 -8.502 -15.680
129 HA3 GLY 16 2HA GLY 16 -20.361 -7.493 -16.585
130 H ARG 17 H ARG 17 -17.040 -8.706 -17.074
131 HA ARG 17 HA ARG 17 -17.136 -8.814 -19.846
132 HE ARG 17 HE ARG 17 -13.459 -12.715 -21.234
133 HB2 ARG 17 1HB ARG 17 -15.122 -9.109 -18.302
134 HB3 ARG 17 2HB ARG 17 -15.611 -10.792 -18.160
135 HG2 ARG 17 1HG ARG 17 -15.204 -9.571 -20.855
136 HG3 ARG 17 2HG ARG 17 -13.824 -10.122 -19.903
137 HD2 ARG 17 1HD ARG 17 -15.082 -12.328 -19.670
138 HD3 ARG 17 2HD ARG 17 -16.136 -11.729 -20.950
139 HH11 ARG 17 1HH1 ARG 17 -15.878 -10.615 -22.597
140 HH12 ARG 17 2HH1 ARG 17 -15.221 -10.682 -24.199
141 HH21 ARG 17 1HH2 ARG 17 -12.584 -12.811 -23.339
142 HH22 ARG 17 2HH2 ARG 17 -13.348 -11.932 -24.620
Start of MODEL 16
1 HA LEU 1 HA LEU 1 -5.697 0.689 0.301
2 HG LEU 1 HG LEU 1 -8.460 2.571 -1.260
3 H1 LEU 1 1H LEU 1 -3.799 2.936 0.377
4 HB2 LEU 1 1HB LEU 1 -6.603 3.157 0.196
5 HB3 LEU 1 2HB LEU 1 -6.082 3.045 -1.484
6 HD11 LEU 1 1HD1 LEU 1 -6.818 1.303 -2.851
7 HD12 LEU 1 2HD1 LEU 1 -8.499 0.791 -2.710
8 HD13 LEU 1 3HD1 LEU 1 -7.236 -0.084 -1.845
9 HD21 LEU 1 3HD2 LEU 1 -7.935 0.022 0.169
10 HD22 LEU 1 1HD2 LEU 1 -9.373 1.043 0.161
11 HD23 LEU 1 2HD2 LEU 1 -7.966 1.509 1.117
12 H GLY 2 H GLY 2 -4.962 -0.845 -1.003
13 HA2 GLY 2 1HA GLY 2 -3.973 -0.177 -3.641
14 HA3 GLY 2 2HA GLY 2 -2.768 -0.880 -2.572
15 H ARG 3 H ARG 3 -3.393 -2.151 -4.901
16 HA ARG 3 HA ARG 3 -4.936 -4.479 -3.963
17 HE ARG 3 HE ARG 3 -8.514 -2.031 -4.508
18 HB2 ARG 3 1HB ARG 3 -4.711 -3.478 -6.807
19 HB3 ARG 3 2HB ARG 3 -5.619 -4.886 -6.274
20 HG2 ARG 3 1HG ARG 3 -6.251 -2.237 -5.076
21 HG3 ARG 3 2HG ARG 3 -6.807 -2.595 -6.712
22 HD2 ARG 3 1HD ARG 3 -8.059 -4.468 -5.971
23 HD3 ARG 3 2HD ARG 3 -7.300 -4.430 -4.380
24 HH11 ARG 3 1HH1 ARG 3 -9.627 -5.272 -5.121
25 HH12 ARG 3 2HH1 ARG 3 -11.259 -4.941 -4.642
26 HH21 ARG 3 1HH2 ARG 3 -10.659 -1.583 -3.874
27 HH22 ARG 3 2HH2 ARG 3 -11.845 -2.843 -3.934
28 H VAL 4 H VAL 4 -4.222 -6.545 -4.693
29 HA VAL 4 HA VAL 4 -1.436 -6.901 -4.619
30 HB VAL 4 HB VAL 4 -3.486 -8.869 -5.643
31 HG11 VAL 4 1HG1 VAL 4 -1.851 -10.557 -4.916
32 HG12 VAL 4 2HG1 VAL 4 -1.207 -9.508 -6.181
33 HG13 VAL 4 3HG1 VAL 4 -0.722 -9.267 -4.502
34 HG21 VAL 4 3HG2 VAL 4 -2.816 -9.557 -3.045
35 HG22 VAL 4 1HG2 VAL 4 -3.007 -7.804 -2.989
36 HG23 VAL 4 2HG2 VAL 4 -4.326 -8.816 -3.577
37 H ASP 5 H ASP 5 -3.720 -7.248 -7.331
38 HA ASP 5 HA ASP 5 -1.528 -6.607 -9.168
39 HB2 ASP 5 1HB ASP 5 -2.075 -9.157 -8.937
40 HB3 ASP 5 2HB ASP 5 -3.480 -8.755 -9.921
41 H ILE 6 H ILE 6 -2.353 -6.074 -11.380
42 HA ILE 6 HA ILE 6 -4.211 -4.020 -11.298
43 HB ILE 6 HB ILE 6 -3.463 -5.690 -13.701
44 HG12 ILE 6 1HG1 ILE 6 -2.100 -3.326 -13.903
45 HG13 ILE 6 2HG1 ILE 6 -2.067 -3.603 -12.165
46 HG21 ILE 6 1HG2 ILE 6 -4.051 -3.598 -14.951
47 HG22 ILE 6 2HG2 ILE 6 -5.417 -4.435 -14.217
48 HG23 ILE 6 3HG2 ILE 6 -4.761 -2.985 -13.458
49 HD11 ILE 6 3HD1 ILE 6 -0.300 -4.620 -13.981
50 HD12 ILE 6 1HD1 ILE 6 -0.570 -5.238 -12.352
51 HD13 ILE 6 2HD1 ILE 6 -1.404 -5.971 -13.723
52 H HIS 7 H HIS 7 -6.371 -3.865 -11.503
53 HA HIS 7 HA HIS 7 -7.876 -6.375 -11.761
54 HD1 HIS 7 HD1 HIS 7 -11.495 -4.410 -10.757
55 HD2 HIS 7 HD2 HIS 7 -9.075 -7.545 -9.501
56 HE1 HIS 7 HE1 HIS 7 -13.073 -6.230 -10.036
57 HB2 HIS 7 1HB HIS 7 -8.078 -4.731 -9.731
58 HB3 HIS 7 2HB HIS 7 -9.101 -3.805 -10.825
59 H VAL 8 H VAL 8 -7.986 -2.967 -12.781
60 HA VAL 8 HA VAL 8 -10.103 -3.241 -14.607
61 HB VAL 8 HB VAL 8 -9.165 -1.155 -15.663
62 HG11 VAL 8 1HG1 VAL 8 -10.639 -1.431 -13.468
63 HG12 VAL 8 2HG1 VAL 8 -9.234 -0.648 -12.742
64 HG13 VAL 8 3HG1 VAL 8 -10.108 0.146 -14.053
65 HG21 VAL 8 3HG2 VAL 8 -7.079 -0.491 -15.273
66 HG22 VAL 8 1HG2 VAL 8 -7.335 -0.550 -13.529
67 HG23 VAL 8 2HG2 VAL 8 -6.817 -1.997 -14.393
68 H TRP 9 H TRP 9 -9.545 -2.495 -17.039
69 HA TRP 9 HA TRP 9 -7.317 -4.033 -18.111
70 HD1 TRP 9 HD1 TRP 9 -7.000 -6.737 -18.248
71 HE1 TRP 9 HE1 TRP 9 -6.213 -8.049 -20.317
72 HE3 TRP 9 HE3 TRP 9 -10.206 -4.782 -21.718
73 HZ2 TRP 9 HZ2 TRP 9 -6.864 -8.231 -23.058
74 HZ3 TRP 9 HZ3 TRP 9 -10.058 -5.578 -24.041
75 HH2 TRP 9 HH2 TRP 9 -8.420 -7.267 -24.695
76 HB2 TRP 9 1HB TRP 9 -9.520 -5.444 -17.898
77 HB3 TRP 9 2HB TRP 9 -10.014 -4.528 -19.320
78 H ASP 10 H ASP 10 -6.368 -2.902 -19.668
79 HA ASP 10 HA ASP 10 -5.958 -1.268 -21.201
80 HB2 ASP 10 1HB ASP 10 -8.692 -2.246 -21.969
81 HB3 ASP 10 2HB ASP 10 -7.934 -0.928 -22.858
82 H GLY 11 H GLY 11 -6.407 -0.125 -18.849
83 HA2 GLY 11 1HA GLY 11 -6.708 2.093 -18.171
84 HA3 GLY 11 2HA GLY 11 -7.693 2.372 -19.600
85 H VAL 12 H VAL 12 -9.673 0.559 -19.417
86 HA VAL 12 HA VAL 12 -10.821 0.646 -16.749
87 HB VAL 12 HB VAL 12 -12.947 1.661 -17.597
88 HG11 VAL 12 1HG1 VAL 12 -12.262 3.866 -17.202
89 HG12 VAL 12 2HG1 VAL 12 -11.079 2.877 -16.345
90 HG13 VAL 12 3HG1 VAL 12 -10.669 3.591 -17.905
91 HG21 VAL 12 3HG2 VAL 12 -11.865 3.181 -19.740
92 HG22 VAL 12 1HG2 VAL 12 -11.586 1.473 -20.078
93 HG23 VAL 12 2HG2 VAL 12 -13.221 2.054 -19.765
94 H TYR 13 H TYR 13 -11.805 -1.223 -16.376
95 HA TYR 13 HA TYR 13 -12.046 -3.262 -18.262
96 HD1 TYR 13 HD1 TYR 13 -12.202 -5.420 -18.097
97 HD2 TYR 13 HD2 TYR 13 -15.074 -4.580 -15.072
98 HE1 TYR 13 HE1 TYR 13 -13.241 -7.616 -18.482
99 HE2 TYR 13 HE2 TYR 13 -16.120 -6.774 -15.447
100 HH TYR 13 HH TYR 13 -15.792 -8.831 -16.406
101 HB2 TYR 13 1HB TYR 13 -11.976 -3.659 -15.836
102 HB3 TYR 13 2HB TYR 13 -13.569 -2.931 -15.668
103 H ILE 14 H ILE 14 -13.607 -3.899 -19.640
104 HA ILE 14 HA ILE 14 -15.725 -2.053 -20.244
105 HB ILE 14 HB ILE 14 -15.114 -4.762 -21.431
106 HG12 ILE 14 1HG1 ILE 14 -14.443 -3.090 -23.371
107 HG13 ILE 14 2HG1 ILE 14 -14.214 -1.975 -22.028
108 HG21 ILE 14 1HG2 ILE 14 -17.342 -4.404 -21.967
109 HG22 ILE 14 2HG2 ILE 14 -17.131 -2.659 -22.108
110 HG23 ILE 14 3HG2 ILE 14 -16.492 -3.728 -23.357
111 HD11 ILE 14 3HD1 ILE 14 -12.196 -3.297 -22.845
112 HD12 ILE 14 1HD1 ILE 14 -12.500 -3.256 -21.109
113 HD13 ILE 14 2HD1 ILE 14 -12.939 -4.683 -22.047
114 H ARG 15 H ARG 15 -17.307 -2.015 -18.729
115 HA ARG 15 HA ARG 15 -18.267 -4.179 -17.254
116 HE ARG 15 HE ARG 15 -22.248 -0.035 -19.426
117 HB2 ARG 15 1HB ARG 15 -20.337 -2.731 -16.969
118 HB3 ARG 15 2HB ARG 15 -18.808 -2.011 -16.483
119 HG2 ARG 15 1HG ARG 15 -18.825 -0.486 -18.175
120 HG3 ARG 15 2HG ARG 15 -19.757 -1.527 -19.252
121 HD2 ARG 15 1HD ARG 15 -21.662 -1.165 -17.523
122 HD3 ARG 15 2HD ARG 15 -20.703 0.226 -17.020
123 HH11 ARG 15 1HH1 ARG 15 -19.537 1.560 -17.933
124 HH12 ARG 15 2HH1 ARG 15 -19.596 2.933 -18.989
125 HH21 ARG 15 1HH2 ARG 15 -22.336 1.767 -20.822
126 HH22 ARG 15 2HH2 ARG 15 -21.189 3.050 -20.631
127 H GLY 16 H GLY 16 -19.948 -5.611 -17.514
128 HA2 GLY 16 1HA GLY 16 -21.323 -7.031 -18.684
129 HA3 GLY 16 2HA GLY 16 -21.948 -5.567 -19.429
130 H ARG 17 H ARG 17 -19.522 -8.105 -19.698
131 HA ARG 17 HA ARG 17 -18.526 -7.303 -22.232
132 HE ARG 17 HE ARG 17 -15.593 -12.050 -23.771
133 HB2 ARG 17 1HB ARG 17 -17.250 -8.768 -20.745
134 HB3 ARG 17 2HB ARG 17 -18.484 -10.012 -20.892
135 HG2 ARG 17 1HG ARG 17 -17.989 -10.256 -23.257
136 HG3 ARG 17 2HG ARG 17 -16.789 -8.966 -23.150
137 HD2 ARG 17 1HD ARG 17 -15.585 -10.353 -21.446
138 HD3 ARG 17 2HD ARG 17 -16.711 -11.661 -21.805
139 HH11 ARG 17 1HH1 ARG 17 -14.586 -8.992 -22.445
140 HH12 ARG 17 2HH1 ARG 17 -13.284 -8.785 -23.570
141 HH21 ARG 17 1HH2 ARG 17 -13.882 -11.789 -25.257
142 HH22 ARG 17 2HH2 ARG 17 -12.885 -10.376 -25.169
Start of MODEL 17
1 HA LEU 1 HA LEU 1 -2.301 3.703 -2.409
2 HG LEU 1 HG LEU 1 -1.857 0.256 -1.132
3 H1 LEU 1 1H LEU 1 -3.620 2.914 -0.239
4 HB2 LEU 1 1HB LEU 1 -0.398 2.328 -1.756
5 HB3 LEU 1 2HB LEU 1 -1.178 3.064 -0.357
6 HD11 LEU 1 1HD1 LEU 1 0.580 1.137 0.405
7 HD12 LEU 1 2HD1 LEU 1 0.540 0.217 -1.099
8 HD13 LEU 1 3HD1 LEU 1 -0.055 -0.509 0.394
9 HD21 LEU 1 3HD2 LEU 1 -1.886 0.243 1.490
10 HD22 LEU 1 1HD2 LEU 1 -3.235 0.921 0.577
11 HD23 LEU 1 2HD2 LEU 1 -2.026 1.990 1.287
12 H GLY 2 H GLY 2 -4.595 2.055 -3.228
13 HA2 GLY 2 1HA GLY 2 -4.972 0.991 -5.278
14 HA3 GLY 2 2HA GLY 2 -3.251 0.652 -5.393
15 H ARG 3 H ARG 3 -4.106 -1.468 -6.122
16 HA ARG 3 HA ARG 3 -4.861 -3.178 -3.848
17 HE ARG 3 HE ARG 3 -6.871 0.053 -7.021
18 HB2 ARG 3 1HB ARG 3 -5.171 -3.879 -6.763
19 HB3 ARG 3 2HB ARG 3 -5.916 -4.662 -5.376
20 HG2 ARG 3 1HG ARG 3 -7.705 -3.445 -5.942
21 HG3 ARG 3 2HG ARG 3 -6.861 -2.138 -5.110
22 HD2 ARG 3 1HD ARG 3 -5.738 -1.874 -7.507
23 HD3 ARG 3 2HD ARG 3 -7.260 -2.609 -8.012
24 HH11 ARG 3 1HH1 ARG 3 -9.151 -2.559 -7.336
25 HH12 ARG 3 2HH1 ARG 3 -10.541 -1.529 -7.254
26 HH21 ARG 3 1HH2 ARG 3 -8.693 1.420 -6.912
27 HH22 ARG 3 2HH2 ARG 3 -10.280 0.735 -7.013
28 H VAL 4 H VAL 4 -3.892 -5.271 -3.684
29 HA VAL 4 HA VAL 4 -1.091 -5.251 -4.178
30 HB VAL 4 HB VAL 4 -2.749 -7.638 -3.367
31 HG11 VAL 4 1HG1 VAL 4 -0.722 -8.586 -3.587
32 HG12 VAL 4 2HG1 VAL 4 0.123 -7.037 -3.537
33 HG13 VAL 4 3HG1 VAL 4 -0.394 -7.810 -2.038
34 HG21 VAL 4 3HG2 VAL 4 -1.791 -6.736 -1.033
35 HG22 VAL 4 1HG2 VAL 4 -1.999 -5.200 -1.874
36 HG23 VAL 4 2HG2 VAL 4 -3.375 -6.282 -1.662
37 H ASP 5 H ASP 5 -3.701 -6.036 -6.133
38 HA ASP 5 HA ASP 5 -1.960 -7.111 -8.167
39 HB2 ASP 5 1HB ASP 5 -3.674 -9.063 -8.498
40 HB3 ASP 5 2HB ASP 5 -2.376 -9.227 -7.318
41 H ILE 6 H ILE 6 -2.709 -6.724 -10.205
42 HA ILE 6 HA ILE 6 -4.603 -4.746 -10.632
43 HB ILE 6 HB ILE 6 -3.781 -6.863 -12.622
44 HG12 ILE 6 1HG1 ILE 6 -2.333 -4.597 -13.190
45 HG13 ILE 6 2HG1 ILE 6 -2.346 -4.597 -11.430
46 HG21 ILE 6 1HG2 ILE 6 -4.142 -4.607 -14.052
47 HG22 ILE 6 2HG2 ILE 6 -5.393 -5.824 -13.805
48 HG23 ILE 6 3HG2 ILE 6 -5.355 -4.381 -12.792
49 HD11 ILE 6 3HD1 ILE 6 -0.472 -5.827 -12.801
50 HD12 ILE 6 1HD1 ILE 6 -1.087 -6.486 -11.285
51 HD13 ILE 6 2HD1 ILE 6 -1.666 -7.125 -12.824
52 H HIS 7 H HIS 7 -6.723 -4.776 -10.347
53 HA HIS 7 HA HIS 7 -8.164 -7.321 -10.613
54 HD1 HIS 7 HD1 HIS 7 -11.176 -6.305 -7.660
55 HD2 HIS 7 HD2 HIS 7 -7.740 -8.453 -8.577
56 HE1 HIS 7 HE1 HIS 7 -11.351 -8.444 -6.348
57 HB2 HIS 7 1HB HIS 7 -8.314 -5.167 -8.736
58 HB3 HIS 7 2HB HIS 7 -9.860 -5.296 -9.569
59 H VAL 8 H VAL 8 -7.558 -4.473 -12.267
60 HA VAL 8 HA VAL 8 -10.098 -4.629 -13.747
61 HB VAL 8 HB VAL 8 -9.644 -2.390 -14.569
62 HG11 VAL 8 1HG1 VAL 8 -9.963 -3.053 -11.773
63 HG12 VAL 8 2HG1 VAL 8 -9.214 -1.469 -11.983
64 HG13 VAL 8 3HG1 VAL 8 -10.771 -1.817 -12.737
65 HG21 VAL 8 3HG2 VAL 8 -7.305 -2.294 -14.781
66 HG22 VAL 8 1HG2 VAL 8 -7.693 -1.136 -13.509
67 HG23 VAL 8 2HG2 VAL 8 -7.049 -2.724 -13.091
68 H TRP 9 H TRP 9 -9.569 -3.609 -16.120
69 HA TRP 9 HA TRP 9 -7.221 -4.950 -17.232
70 HD1 TRP 9 HD1 TRP 9 -9.047 -5.389 -20.937
71 HE1 TRP 9 HE1 TRP 9 -7.472 -6.976 -22.212
72 HE3 TRP 9 HE3 TRP 9 -7.111 -7.970 -16.971
73 HZ2 TRP 9 HZ2 TRP 9 -5.651 -9.049 -21.616
74 HZ3 TRP 9 HZ3 TRP 9 -5.458 -9.739 -17.409
75 HH2 TRP 9 HH2 TRP 9 -4.745 -10.267 -19.684
76 HB2 TRP 9 1HB TRP 9 -9.257 -6.482 -17.322
77 HB3 TRP 9 2HB TRP 9 -9.946 -5.336 -18.468
78 H ASP 10 H ASP 10 -6.210 -3.671 -18.631
79 HA ASP 10 HA ASP 10 -5.738 -1.903 -19.985
80 HB2 ASP 10 1HB ASP 10 -8.491 -2.701 -20.877
81 HB3 ASP 10 2HB ASP 10 -7.700 -1.298 -21.592
82 H GLY 11 H GLY 11 -6.567 -1.255 -17.362
83 HA2 GLY 11 1HA GLY 11 -6.735 0.878 -16.374
84 HA3 GLY 11 2HA GLY 11 -7.490 1.475 -17.844
85 H VAL 12 H VAL 12 -9.504 -0.480 -18.110
86 HA VAL 12 HA VAL 12 -11.043 -0.424 -15.643
87 HB VAL 12 HB VAL 12 -13.036 0.542 -16.861
88 HG11 VAL 12 1HG1 VAL 12 -12.548 2.680 -16.153
89 HG12 VAL 12 2HG1 VAL 12 -11.352 1.736 -15.262
90 HG13 VAL 12 3HG1 VAL 12 -10.881 2.604 -16.724
91 HG21 VAL 12 3HG2 VAL 12 -12.537 2.001 -18.793
92 HG22 VAL 12 1HG2 VAL 12 -10.894 1.360 -18.821
93 HG23 VAL 12 2HG2 VAL 12 -12.262 0.294 -19.139
94 H TYR 13 H TYR 13 -12.243 -2.209 -15.439
95 HA TYR 13 HA TYR 13 -12.117 -4.275 -17.360
96 HD1 TYR 13 HD1 TYR 13 -15.072 -6.093 -16.809
97 HD2 TYR 13 HD2 TYR 13 -11.320 -6.324 -14.816
98 HE1 TYR 13 HE1 TYR 13 -15.027 -8.523 -17.188
99 HE2 TYR 13 HE2 TYR 13 -11.264 -8.755 -15.191
100 HH TYR 13 HH TYR 13 -12.474 -10.348 -17.110
101 HB2 TYR 13 1HB TYR 13 -12.543 -4.318 -14.753
102 HB3 TYR 13 2HB TYR 13 -14.232 -4.275 -15.248
103 H ILE 14 H ILE 14 -13.042 -3.953 -19.301
104 HA ILE 14 HA ILE 14 -15.325 -2.454 -19.849
105 HB ILE 14 HB ILE 14 -14.298 -4.830 -21.405
106 HG12 ILE 14 1HG1 ILE 14 -13.702 -1.905 -21.864
107 HG13 ILE 14 2HG1 ILE 14 -12.647 -2.962 -20.934
108 HG21 ILE 14 1HG2 ILE 14 -16.370 -4.429 -22.326
109 HG22 ILE 14 2HG2 ILE 14 -16.306 -2.700 -21.985
110 HG23 ILE 14 3HG2 ILE 14 -15.345 -3.375 -23.301
111 HD11 ILE 14 3HD1 ILE 14 -11.667 -3.623 -22.795
112 HD12 ILE 14 1HD1 ILE 14 -13.206 -4.230 -23.407
113 HD13 ILE 14 2HD1 ILE 14 -12.724 -2.563 -23.727
114 H ARG 15 H ARG 15 -17.481 -2.965 -20.161
115 HA ARG 15 HA ARG 15 -18.401 -5.665 -19.583
116 HE ARG 15 HE ARG 15 -21.429 -6.856 -15.256
117 HB2 ARG 15 1HB ARG 15 -18.232 -4.371 -17.399
118 HB3 ARG 15 2HB ARG 15 -19.517 -3.342 -18.018
119 HG2 ARG 15 1HG ARG 15 -21.108 -4.973 -17.829
120 HG3 ARG 15 2HG ARG 15 -19.939 -6.285 -17.993
121 HD2 ARG 15 1HD ARG 15 -19.050 -5.299 -15.709
122 HD3 ARG 15 2HD ARG 15 -20.705 -4.703 -15.593
123 HH11 ARG 15 1HH1 ARG 15 -18.128 -6.895 -16.360
124 HH12 ARG 15 2HH1 ARG 15 -17.907 -8.586 -16.050
125 HH21 ARG 15 1HH2 ARG 15 -21.152 -9.082 -14.844
126 HH22 ARG 15 2HH2 ARG 15 -19.628 -9.829 -15.189
127 H GLY 16 H GLY 16 -20.433 -6.131 -20.418
128 HA2 GLY 16 1HA GLY 16 -22.169 -5.942 -21.908
129 HA3 GLY 16 2HA GLY 16 -22.343 -4.304 -21.296
130 H ARG 17 H ARG 17 -20.191 -6.156 -23.454
131 HA ARG 17 HA ARG 17 -19.268 -3.977 -24.935
132 HE ARG 17 HE ARG 17 -17.205 -3.247 -24.998
133 HB2 ARG 17 1HB ARG 17 -18.390 -6.371 -24.923
134 HB3 ARG 17 2HB ARG 17 -19.675 -6.741 -26.065
135 HG2 ARG 17 1HG ARG 17 -17.874 -6.348 -27.448
136 HG3 ARG 17 2HG ARG 17 -18.690 -4.783 -27.438
137 HD2 ARG 17 1HD ARG 17 -16.518 -5.385 -25.468
138 HD3 ARG 17 2HD ARG 17 -16.123 -4.876 -27.109
139 HH11 ARG 17 1HH1 ARG 17 -16.827 -3.616 -28.439
140 HH12 ARG 17 2HH1 ARG 17 -17.015 -1.926 -28.773
141 HH21 ARG 17 1HH2 ARG 17 -17.454 -1.020 -25.424
142 HH22 ARG 17 2HH2 ARG 17 -17.371 -0.450 -27.057
Start of MODEL 18
1 HA LEU 1 HA LEU 1 1.542 -3.485 -0.644
2 HG LEU 1 HG LEU 1 3.576 -2.348 0.924
3 H1 LEU 1 1H LEU 1 4.049 -2.556 -1.703
4 HB2 LEU 1 1HB LEU 1 2.775 -0.757 -0.933
5 HB3 LEU 1 2HB LEU 1 1.165 -1.011 -0.263
6 HD11 LEU 1 1HD1 LEU 1 3.343 -0.371 2.609
7 HD12 LEU 1 2HD1 LEU 1 2.669 0.479 1.218
8 HD13 LEU 1 3HD1 LEU 1 4.304 -0.178 1.142
9 HD21 LEU 1 3HD2 LEU 1 0.760 -2.249 1.472
10 HD22 LEU 1 1HD2 LEU 1 1.670 -1.605 2.838
11 HD23 LEU 1 2HD2 LEU 1 2.015 -3.226 2.235
12 H GLY 2 H GLY 2 -0.474 -3.264 -1.492
13 HA2 GLY 2 1HA GLY 2 -1.465 -1.562 -3.352
14 HA3 GLY 2 2HA GLY 2 -0.648 -2.771 -4.331
15 H ARG 3 H ARG 3 -2.895 -3.036 -5.152
16 HA ARG 3 HA ARG 3 -4.509 -4.743 -3.378
17 HE ARG 3 HE ARG 3 -6.904 -0.664 -2.429
18 HB2 ARG 3 1HB ARG 3 -5.378 -3.275 -5.874
19 HB3 ARG 3 2HB ARG 3 -6.417 -4.191 -4.790
20 HG2 ARG 3 1HG ARG 3 -4.847 -1.774 -3.933
21 HG3 ARG 3 2HG ARG 3 -6.509 -1.707 -4.520
22 HD2 ARG 3 1HD ARG 3 -6.936 -3.514 -2.695
23 HD3 ARG 3 2HD ARG 3 -5.431 -2.909 -2.004
24 HH11 ARG 3 1HH1 ARG 3 -7.469 -3.661 -0.749
25 HH12 ARG 3 2HH1 ARG 3 -8.530 -2.954 0.424
26 HH21 ARG 3 1HH2 ARG 3 -8.300 0.278 -0.890
27 HH22 ARG 3 2HH2 ARG 3 -9.003 -0.714 0.342
28 H VAL 4 H VAL 4 -5.987 -6.234 -4.902
29 HA VAL 4 HA VAL 4 -4.096 -7.727 -6.597
30 HB VAL 4 HB VAL 4 -6.554 -8.844 -5.249
31 HG11 VAL 4 1HG1 VAL 4 -4.441 -9.915 -7.004
32 HG12 VAL 4 2HG1 VAL 4 -4.891 -10.926 -5.629
33 HG13 VAL 4 3HG1 VAL 4 -6.115 -10.428 -6.797
34 HG21 VAL 4 3HG2 VAL 4 -4.305 -9.905 -4.004
35 HG22 VAL 4 1HG2 VAL 4 -3.973 -8.177 -4.129
36 HG23 VAL 4 2HG2 VAL 4 -5.438 -8.738 -3.323
37 H ASP 5 H ASP 5 -6.862 -5.835 -6.665
38 HA ASP 5 HA ASP 5 -7.360 -6.563 -9.433
39 HB2 ASP 5 1HB ASP 5 -9.412 -6.841 -7.249
40 HB3 ASP 5 2HB ASP 5 -9.886 -6.559 -8.922
41 H ILE 6 H ILE 6 -8.130 -4.885 -10.660
42 HA ILE 6 HA ILE 6 -8.428 -2.312 -9.257
43 HB ILE 6 HB ILE 6 -7.618 -2.724 -12.135
44 HG12 ILE 6 1HG1 ILE 6 -5.391 -1.765 -11.018
45 HG13 ILE 6 2HG1 ILE 6 -6.039 -2.601 -9.611
46 HG21 ILE 6 1HG2 ILE 6 -8.401 -0.582 -12.108
47 HG22 ILE 6 2HG2 ILE 6 -8.054 -0.359 -10.395
48 HG23 ILE 6 3HG2 ILE 6 -6.746 -0.291 -11.575
49 HD11 ILE 6 3HD1 ILE 6 -4.416 -3.785 -11.311
50 HD12 ILE 6 1HD1 ILE 6 -5.728 -4.659 -10.521
51 HD13 ILE 6 2HD1 ILE 6 -5.924 -4.081 -12.176
52 H HIS 7 H HIS 7 -10.049 -0.875 -9.899
53 HA HIS 7 HA HIS 7 -12.518 -1.989 -10.577
54 HD1 HIS 7 HD1 HIS 7 -14.507 1.860 -10.171
55 HD2 HIS 7 HD2 HIS 7 -13.443 -1.761 -8.434
56 HE1 HIS 7 HE1 HIS 7 -16.375 1.301 -8.583
57 HB2 HIS 7 1HB HIS 7 -11.521 0.573 -9.845
58 HB3 HIS 7 2HB HIS 7 -12.513 0.780 -11.286
59 H VAL 8 H VAL 8 -10.379 0.055 -12.569
60 HA VAL 8 HA VAL 8 -11.777 -0.963 -14.955
61 HB VAL 8 HB VAL 8 -10.938 1.034 -16.132
62 HG11 VAL 8 1HG1 VAL 8 -12.729 1.204 -13.773
63 HG12 VAL 8 2HG1 VAL 8 -12.261 2.713 -14.558
64 HG13 VAL 8 3HG1 VAL 8 -13.080 1.454 -15.483
65 HG21 VAL 8 3HG2 VAL 8 -9.121 1.213 -14.097
66 HG22 VAL 8 1HG2 VAL 8 -9.465 2.485 -15.269
67 HG23 VAL 8 2HG2 VAL 8 -10.258 2.499 -13.693
68 H TRP 9 H TRP 9 -10.163 -0.613 -16.959
69 HA TRP 9 HA TRP 9 -7.420 -1.197 -16.494
70 HD1 TRP 9 HD1 TRP 9 -7.176 -5.025 -18.747
71 HE1 TRP 9 HE1 TRP 9 -4.703 -5.599 -18.319
72 HE3 TRP 9 HE3 TRP 9 -6.342 -2.041 -14.680
73 HZ2 TRP 9 HZ2 TRP 9 -2.669 -4.882 -16.499
74 HZ3 TRP 9 HZ3 TRP 9 -4.105 -2.044 -13.654
75 HH2 TRP 9 HH2 TRP 9 -2.308 -3.436 -14.546
76 HB2 TRP 9 1HB TRP 9 -8.688 -3.384 -15.929
77 HB3 TRP 9 2HB TRP 9 -8.925 -3.520 -17.669
78 H ASP 10 H ASP 10 -6.201 -1.055 -18.359
79 HA ASP 10 HA ASP 10 -5.709 -0.295 -20.450
80 HB2 ASP 10 1HB ASP 10 -6.865 -2.658 -20.768
81 HB3 ASP 10 2HB ASP 10 -8.104 -1.689 -21.560
82 H GLY 11 H GLY 11 -7.165 1.530 -18.969
83 HA2 GLY 11 1HA GLY 11 -7.976 3.654 -19.567
84 HA3 GLY 11 2HA GLY 11 -8.477 3.001 -21.120
85 H VAL 12 H VAL 12 -10.063 0.899 -20.416
86 HA VAL 12 HA VAL 12 -12.038 1.838 -18.498
87 HB VAL 12 HB VAL 12 -13.900 1.669 -20.106
88 HG11 VAL 12 1HG1 VAL 12 -13.512 3.794 -21.243
89 HG12 VAL 12 2HG1 VAL 12 -12.930 3.852 -19.578
90 HG13 VAL 12 3HG1 VAL 12 -11.786 3.667 -20.908
91 HG21 VAL 12 3HG2 VAL 12 -13.113 1.900 -22.584
92 HG22 VAL 12 1HG2 VAL 12 -11.660 1.092 -21.995
93 HG23 VAL 12 2HG2 VAL 12 -13.231 0.304 -21.842
94 H TYR 13 H TYR 13 -13.251 0.214 -17.624
95 HA TYR 13 HA TYR 13 -12.314 -2.390 -17.666
96 HD1 TYR 13 HD1 TYR 13 -14.919 0.630 -16.400
97 HD2 TYR 13 HD2 TYR 13 -16.463 -3.136 -17.641
98 HE1 TYR 13 HE1 TYR 13 -17.107 1.672 -16.823
99 HE2 TYR 13 HE2 TYR 13 -18.654 -2.104 -18.069
100 HH TYR 13 HH TYR 13 -19.131 1.163 -18.315
101 HB2 TYR 13 1HB TYR 13 -14.358 -3.001 -16.483
102 HB3 TYR 13 2HB TYR 13 -13.745 -1.464 -15.883
103 H ILE 14 H ILE 14 -12.716 -4.180 -18.845
104 HA ILE 14 HA ILE 14 -14.027 -3.864 -21.382
105 HB ILE 14 HB ILE 14 -12.857 -6.353 -20.133
106 HG12 ILE 14 1HG1 ILE 14 -11.090 -5.694 -22.027
107 HG13 ILE 14 2HG1 ILE 14 -11.688 -4.080 -21.661
108 HG21 ILE 14 1HG2 ILE 14 -12.729 -7.082 -22.546
109 HG22 ILE 14 2HG2 ILE 14 -14.346 -7.015 -21.848
110 HG23 ILE 14 3HG2 ILE 14 -13.795 -5.729 -22.921
111 HD11 ILE 14 3HD1 ILE 14 -10.300 -4.001 -19.947
112 HD12 ILE 14 1HD1 ILE 14 -11.185 -5.327 -19.194
113 HD13 ILE 14 2HD1 ILE 14 -9.802 -5.668 -20.235
114 H ARG 15 H ARG 15 -15.873 -4.890 -22.120
115 HA ARG 15 HA ARG 15 -18.031 -5.132 -20.418
116 HE ARG 15 HE ARG 15 -17.022 -5.508 -25.222
117 HB2 ARG 15 1HB ARG 15 -19.245 -6.023 -22.241
118 HB3 ARG 15 2HB ARG 15 -18.040 -4.958 -22.952
119 HG2 ARG 15 1HG ARG 15 -16.629 -6.925 -23.429
120 HG3 ARG 15 2HG ARG 15 -17.911 -7.961 -22.797
121 HD2 ARG 15 1HD ARG 15 -18.334 -8.013 -25.064
122 HD3 ARG 15 2HD ARG 15 -19.401 -6.717 -24.526
123 HH11 ARG 15 1HH1 ARG 15 -19.447 -7.447 -26.797
124 HH12 ARG 15 2HH1 ARG 15 -19.192 -6.733 -28.355
125 HH21 ARG 15 1HH2 ARG 15 -16.678 -4.560 -27.268
126 HH22 ARG 15 2HH2 ARG 15 -17.616 -5.092 -28.622
127 H GLY 16 H GLY 16 -19.013 -6.772 -19.306
128 HA2 GLY 16 1HA GLY 16 -19.185 -8.747 -18.149
129 HA3 GLY 16 2HA GLY 16 -18.500 -9.509 -19.577
130 H ARG 17 H ARG 17 -16.416 -10.193 -19.551
131 HA ARG 17 HA ARG 17 -15.118 -10.308 -16.984
132 HE ARG 17 HE ARG 17 -12.121 -12.386 -19.925
133 HB2 ARG 17 1HB ARG 17 -15.212 -12.133 -18.832
134 HB3 ARG 17 2HB ARG 17 -13.880 -11.241 -19.555
135 HG2 ARG 17 1HG ARG 17 -13.682 -11.992 -16.687
136 HG3 ARG 17 2HG ARG 17 -13.461 -13.246 -17.909
137 HD2 ARG 17 1HD ARG 17 -11.961 -10.632 -17.876
138 HD3 ARG 17 2HD ARG 17 -11.352 -12.128 -17.169
139 HH11 ARG 17 1HH1 ARG 17 -9.561 -11.497 -17.739
140 HH12 ARG 17 2HH1 ARG 17 -8.299 -11.806 -18.885
141 HH21 ARG 17 1HH2 ARG 17 -10.469 -12.796 -21.442
142 HH22 ARG 17 2HH2 ARG 17 -8.816 -12.544 -20.992
Start of MODEL 19
1 HA LEU 1 HA LEU 1 3.353 -3.929 -5.408
2 HG LEU 1 HG LEU 1 3.355 -5.730 -3.928
3 H1 LEU 1 1H LEU 1 2.171 -1.317 -4.749
4 HB2 LEU 1 1HB LEU 1 3.105 -3.341 -2.898
5 HB3 LEU 1 2HB LEU 1 1.385 -3.613 -3.174
6 HD11 LEU 1 1HD1 LEU 1 2.250 -6.136 -1.296
7 HD12 LEU 1 2HD1 LEU 1 3.252 -4.685 -1.350
8 HD13 LEU 1 3HD1 LEU 1 3.924 -6.239 -1.844
9 HD21 LEU 1 3HD2 LEU 1 1.054 -6.017 -4.611
10 HD22 LEU 1 1HD2 LEU 1 0.499 -5.740 -2.961
11 HD23 LEU 1 2HD2 LEU 1 1.446 -7.178 -3.342
12 H GLY 2 H GLY 2 0.208 -2.498 -4.491
13 HA2 GLY 2 1HA GLY 2 -1.279 -2.456 -6.637
14 HA3 GLY 2 2HA GLY 2 -1.077 -4.197 -6.509
15 H ARG 3 H ARG 3 -3.474 -4.073 -6.404
16 HA ARG 3 HA ARG 3 -4.346 -3.631 -3.624
17 HE ARG 3 HE ARG 3 -4.891 0.998 -5.328
18 HB2 ARG 3 1HB ARG 3 -6.131 -3.354 -6.038
19 HB3 ARG 3 2HB ARG 3 -6.476 -2.879 -4.380
20 HG2 ARG 3 1HG ARG 3 -4.478 -1.271 -4.668
21 HG3 ARG 3 2HG ARG 3 -4.715 -1.549 -6.395
22 HD2 ARG 3 1HD ARG 3 -6.975 -0.744 -6.269
23 HD3 ARG 3 2HD ARG 3 -6.882 -0.631 -4.512
24 HH11 ARG 3 1HH1 ARG 3 -8.258 0.752 -6.176
25 HH12 ARG 3 2HH1 ARG 3 -8.428 2.440 -6.525
26 HH21 ARG 3 1HH2 ARG 3 -5.102 3.223 -5.784
27 HH22 ARG 3 2HH2 ARG 3 -6.632 3.845 -6.303
28 H VAL 4 H VAL 4 -6.480 -4.868 -3.207
29 HA VAL 4 HA VAL 4 -5.937 -7.636 -3.571
30 HB VAL 4 HB VAL 4 -8.528 -6.432 -2.602
31 HG11 VAL 4 1HG1 VAL 4 -8.438 -8.589 -1.202
32 HG12 VAL 4 2HG1 VAL 4 -8.864 -8.719 -2.910
33 HG13 VAL 4 3HG1 VAL 4 -7.234 -9.127 -2.372
34 HG21 VAL 4 3HG2 VAL 4 -7.225 -7.058 -0.333
35 HG22 VAL 4 1HG2 VAL 4 -5.865 -6.561 -1.340
36 HG23 VAL 4 2HG2 VAL 4 -7.204 -5.450 -1.055
37 H ASP 5 H ASP 5 -7.406 -5.365 -5.555
38 HA ASP 5 HA ASP 5 -8.092 -7.266 -7.529
39 HB2 ASP 5 1HB ASP 5 -10.013 -7.439 -5.805
40 HB3 ASP 5 2HB ASP 5 -10.519 -5.871 -6.430
41 H ILE 6 H ILE 6 -9.304 -6.184 -9.387
42 HA ILE 6 HA ILE 6 -8.621 -3.321 -9.500
43 HB ILE 6 HB ILE 6 -8.326 -5.300 -11.762
44 HG12 ILE 6 1HG1 ILE 6 -5.842 -4.402 -11.397
45 HG13 ILE 6 2HG1 ILE 6 -6.423 -4.203 -9.747
46 HG21 ILE 6 1HG2 ILE 6 -7.221 -3.403 -12.913
47 HG22 ILE 6 2HG2 ILE 6 -8.930 -3.122 -12.585
48 HG23 ILE 6 3HG2 ILE 6 -7.702 -2.357 -11.577
49 HD11 ILE 6 3HD1 ILE 6 -5.257 -6.409 -10.493
50 HD12 ILE 6 1HD1 ILE 6 -6.652 -6.457 -9.415
51 HD13 ILE 6 2HD1 ILE 6 -6.853 -6.801 -11.134
52 H HIS 7 H HIS 7 -10.034 -1.977 -10.562
53 HA HIS 7 HA HIS 7 -12.632 -3.168 -11.240
54 HD1 HIS 7 HD1 HIS 7 -14.503 -0.826 -12.515
55 HD2 HIS 7 HD2 HIS 7 -14.706 -1.491 -8.419
56 HE1 HIS 7 HE1 HIS 7 -16.957 -0.904 -11.968
57 HB2 HIS 7 1HB HIS 7 -12.242 -1.242 -9.474
58 HB3 HIS 7 2HB HIS 7 -12.254 -0.221 -10.909
59 H VAL 8 H VAL 8 -10.416 -0.607 -12.345
60 HA VAL 8 HA VAL 8 -11.538 -0.924 -15.051
61 HB VAL 8 HB VAL 8 -10.810 1.330 -15.546
62 HG11 VAL 8 1HG1 VAL 8 -12.770 0.657 -13.597
63 HG12 VAL 8 2HG1 VAL 8 -12.047 2.205 -13.154
64 HG13 VAL 8 3HG1 VAL 8 -12.772 1.992 -14.748
65 HG21 VAL 8 3HG2 VAL 8 -9.960 2.727 -13.567
66 HG22 VAL 8 1HG2 VAL 8 -9.566 1.178 -12.821
67 HG23 VAL 8 2HG2 VAL 8 -8.823 1.633 -14.355
68 H TRP 9 H TRP 9 -10.041 -0.699 -16.847
69 HA TRP 9 HA TRP 9 -7.238 -1.254 -16.197
70 HD1 TRP 9 HD1 TRP 9 -7.062 -3.746 -19.919
71 HE1 TRP 9 HE1 TRP 9 -4.631 -4.587 -19.815
72 HE3 TRP 9 HE3 TRP 9 -6.137 -2.944 -14.955
73 HZ2 TRP 9 HZ2 TRP 9 -2.592 -4.873 -17.884
74 HZ3 TRP 9 HZ3 TRP 9 -3.922 -3.529 -14.059
75 HH2 TRP 9 HH2 TRP 9 -2.188 -4.473 -15.494
76 HB2 TRP 9 1HB TRP 9 -8.494 -3.409 -16.594
77 HB3 TRP 9 2HB TRP 9 -8.771 -2.861 -18.245
78 H ASP 10 H ASP 10 -5.955 0.064 -17.294
79 HA ASP 10 HA ASP 10 -5.181 1.542 -18.842
80 HB2 ASP 10 1HB ASP 10 -6.748 -0.369 -20.559
81 HB3 ASP 10 2HB ASP 10 -5.921 1.018 -21.262
82 H GLY 11 H GLY 11 -7.664 2.143 -17.407
83 HA2 GLY 11 1HA GLY 11 -9.122 3.924 -17.349
84 HA3 GLY 11 2HA GLY 11 -8.394 4.493 -18.843
85 H VAL 12 H VAL 12 -9.625 1.280 -18.809
86 HA VAL 12 HA VAL 12 -12.222 2.070 -19.860
87 HB VAL 12 HB VAL 12 -11.894 0.548 -21.860
88 HG11 VAL 12 1HG1 VAL 12 -10.933 2.291 -23.220
89 HG12 VAL 12 2HG1 VAL 12 -11.951 3.021 -21.977
90 HG13 VAL 12 3HG1 VAL 12 -10.195 3.039 -21.804
91 HG21 VAL 12 3HG2 VAL 12 -9.565 0.268 -22.638
92 HG22 VAL 12 1HG2 VAL 12 -8.999 0.913 -21.097
93 HG23 VAL 12 2HG2 VAL 12 -9.893 -0.607 -21.142
94 H TYR 13 H TYR 13 -13.754 0.690 -19.228
95 HA TYR 13 HA TYR 13 -13.160 -1.503 -17.557
96 HD1 TYR 13 HD1 TYR 13 -14.682 -0.879 -15.411
97 HD2 TYR 13 HD2 TYR 13 -16.172 1.400 -18.680
98 HE1 TYR 13 HE1 TYR 13 -15.028 1.038 -13.909
99 HE2 TYR 13 HE2 TYR 13 -16.522 3.324 -17.187
100 HH TYR 13 HH TYR 13 -15.763 4.182 -15.081
101 HB2 TYR 13 1HB TYR 13 -15.762 -0.884 -18.969
102 HB3 TYR 13 2HB TYR 13 -15.562 -1.937 -17.573
103 H ILE 14 H ILE 14 -12.964 -3.638 -17.937
104 HA ILE 14 HA ILE 14 -12.537 -4.522 -20.623
105 HB ILE 14 HB ILE 14 -12.664 -6.140 -18.075
106 HG12 ILE 14 1HG1 ILE 14 -10.913 -4.441 -17.986
107 HG13 ILE 14 2HG1 ILE 14 -10.199 -6.040 -18.164
108 HG21 ILE 14 1HG2 ILE 14 -12.939 -7.676 -19.811
109 HG22 ILE 14 2HG2 ILE 14 -11.838 -6.807 -20.879
110 HG23 ILE 14 3HG2 ILE 14 -11.204 -7.700 -19.497
111 HD11 ILE 14 3HD1 ILE 14 -10.075 -5.547 -20.643
112 HD12 ILE 14 1HD1 ILE 14 -10.456 -3.878 -20.224
113 HD13 ILE 14 2HD1 ILE 14 -8.991 -4.632 -19.596
114 H ARG 15 H ARG 15 -13.799 -5.761 -21.917
115 HA ARG 15 HA ARG 15 -16.573 -5.719 -21.624
116 HE ARG 15 HE ARG 15 -12.756 -9.435 -24.276
117 HB2 ARG 15 1HB ARG 15 -16.531 -7.484 -23.453
118 HB3 ARG 15 2HB ARG 15 -15.715 -5.969 -23.812
119 HG2 ARG 15 1HG ARG 15 -13.641 -6.918 -23.801
120 HG3 ARG 15 2HG ARG 15 -14.108 -8.188 -22.669
121 HD2 ARG 15 1HD ARG 15 -15.587 -9.062 -24.581
122 HD3 ARG 15 2HD ARG 15 -14.623 -8.013 -25.619
123 HH11 ARG 15 1HH1 ARG 15 -15.575 -10.324 -26.116
124 HH12 ARG 15 2HH1 ARG 15 -14.917 -11.840 -26.637
125 HH21 ARG 15 1HH2 ARG 15 -11.879 -11.428 -24.956
126 HH22 ARG 15 2HH2 ARG 15 -12.815 -12.467 -25.976
127 H GLY 16 H GLY 16 -18.091 -7.244 -21.009
128 HA2 GLY 16 1HA GLY 16 -18.948 -8.951 -19.737
129 HA3 GLY 16 2HA GLY 16 -17.613 -9.912 -20.355
130 H ARG 17 H ARG 17 -16.049 -10.528 -18.987
131 HA ARG 17 HA ARG 17 -16.372 -10.040 -16.198
132 HE ARG 17 HE ARG 17 -15.884 -14.289 -15.649
133 HB2 ARG 17 1HB ARG 17 -15.487 -12.163 -17.196
134 HB3 ARG 17 2HB ARG 17 -14.008 -11.299 -17.595
135 HG2 ARG 17 1HG ARG 17 -13.310 -11.203 -15.424
136 HG3 ARG 17 2HG ARG 17 -14.951 -11.253 -14.779
137 HD2 ARG 17 1HD ARG 17 -13.772 -13.612 -16.203
138 HD3 ARG 17 2HD ARG 17 -13.446 -13.326 -14.494
139 HH11 ARG 17 1HH1 ARG 17 -14.509 -12.550 -12.965
140 HH12 ARG 17 2HH1 ARG 17 -15.810 -12.927 -11.885
141 HH21 ARG 17 1HH2 ARG 17 -17.603 -14.793 -14.236
142 HH22 ARG 17 2HH2 ARG 17 -17.569 -14.204 -12.609
Start of MODEL 20
1 HA LEU 1 HA LEU 1 0.356 -2.516 2.146
2 HG LEU 1 HG LEU 1 1.273 0.479 0.208
3 H1 LEU 1 1H LEU 1 1.988 -2.436 -0.298
4 HB2 LEU 1 1HB LEU 1 0.880 -0.247 2.660
5 HB3 LEU 1 2HB LEU 1 2.391 -1.136 2.473
6 HD11 LEU 1 1HD1 LEU 1 3.111 1.543 2.344
7 HD12 LEU 1 2HD1 LEU 1 1.390 1.913 2.238
8 HD13 LEU 1 3HD1 LEU 1 2.480 2.409 0.943
9 HD21 LEU 1 3HD2 LEU 1 3.102 -0.292 -0.783
10 HD22 LEU 1 1HD2 LEU 1 3.614 -1.094 0.702
11 HD23 LEU 1 2HD2 LEU 1 4.076 0.581 0.401
12 H GLY 2 H GLY 2 -0.409 -3.109 -0.558
13 HA2 GLY 2 1HA GLY 2 -2.727 -1.458 -0.734
14 HA3 GLY 2 2HA GLY 2 -1.569 -1.054 -1.992
15 H ARG 3 H ARG 3 -4.054 -1.953 -2.682
16 HA ARG 3 HA ARG 3 -4.397 -4.693 -2.998
17 HE ARG 3 HE ARG 3 -8.661 -3.774 -1.790
18 HB2 ARG 3 1HB ARG 3 -5.328 -2.341 -4.628
19 HB3 ARG 3 2HB ARG 3 -5.754 -3.989 -5.067
20 HG2 ARG 3 1HG ARG 3 -6.290 -2.953 -2.312
21 HG3 ARG 3 2HG ARG 3 -7.396 -2.613 -3.644
22 HD2 ARG 3 1HD ARG 3 -7.594 -5.033 -4.062
23 HD3 ARG 3 2HD ARG 3 -6.539 -5.341 -2.683
24 HH11 ARG 3 1HH1 ARG 3 -8.122 -6.958 -3.091
25 HH12 ARG 3 2HH1 ARG 3 -9.469 -7.666 -2.262
26 HH21 ARG 3 1HH2 ARG 3 -10.436 -4.695 -0.694
27 HH22 ARG 3 2HH2 ARG 3 -10.785 -6.378 -0.900
28 H VAL 4 H VAL 4 -4.122 -6.054 -4.862
29 HA VAL 4 HA VAL 4 -1.553 -6.172 -5.861
30 HB VAL 4 HB VAL 4 -4.029 -7.253 -7.214
31 HG11 VAL 4 1HG1 VAL 4 -1.112 -7.962 -7.464
32 HG12 VAL 4 2HG1 VAL 4 -2.425 -8.968 -8.079
33 HG13 VAL 4 3HG1 VAL 4 -2.181 -7.344 -8.722
34 HG21 VAL 4 3HG2 VAL 4 -2.694 -9.294 -5.849
35 HG22 VAL 4 1HG2 VAL 4 -2.759 -7.938 -4.723
36 HG23 VAL 4 2HG2 VAL 4 -4.246 -8.567 -5.432
37 H ASP 5 H ASP 5 -4.452 -5.013 -7.583
38 HA ASP 5 HA ASP 5 -2.923 -2.997 -8.947
39 HB2 ASP 5 1HB ASP 5 -3.805 -5.487 -10.357
40 HB3 ASP 5 2HB ASP 5 -3.812 -3.956 -11.228
41 H ILE 6 H ILE 6 -4.328 -1.726 -10.464
42 HA ILE 6 HA ILE 6 -6.653 -0.882 -9.190
43 HB ILE 6 HB ILE 6 -6.115 -0.556 -12.139
44 HG12 ILE 6 1HG1 ILE 6 -4.095 0.106 -11.053
45 HG13 ILE 6 2HG1 ILE 6 -4.975 1.585 -11.422
46 HG21 ILE 6 1HG2 ILE 6 -7.284 1.624 -11.740
47 HG22 ILE 6 2HG2 ILE 6 -8.296 0.194 -11.546
48 HG23 ILE 6 3HG2 ILE 6 -7.684 1.039 -10.125
49 HD11 ILE 6 3HD1 ILE 6 -5.883 1.274 -8.985
50 HD12 ILE 6 1HD1 ILE 6 -4.417 0.312 -8.798
51 HD13 ILE 6 2HD1 ILE 6 -4.305 2.004 -9.284
52 H HIS 7 H HIS 7 -8.857 -1.110 -9.679
53 HA HIS 7 HA HIS 7 -9.730 -3.703 -10.257
54 HD1 HIS 7 HD1 HIS 7 -11.627 -2.218 -7.255
55 HD2 HIS 7 HD2 HIS 7 -12.681 -4.656 -10.450
56 HE1 HIS 7 HE1 HIS 7 -12.960 -4.101 -6.253
57 HB2 HIS 7 1HB HIS 7 -10.901 -1.267 -9.415
58 HB3 HIS 7 2HB HIS 7 -11.819 -1.816 -10.814
59 H VAL 8 H VAL 8 -9.996 -0.764 -12.259
60 HA VAL 8 HA VAL 8 -11.068 -2.040 -14.522
61 HB VAL 8 HB VAL 8 -10.302 -0.038 -15.783
62 HG11 VAL 8 1HG1 VAL 8 -12.129 -0.161 -13.596
63 HG12 VAL 8 2HG1 VAL 8 -11.414 1.451 -13.658
64 HG13 VAL 8 3HG1 VAL 8 -12.234 0.793 -15.075
65 HG21 VAL 8 3HG2 VAL 8 -8.241 0.150 -14.168
66 HG22 VAL 8 1HG2 VAL 8 -8.944 1.591 -14.901
67 HG23 VAL 8 2HG2 VAL 8 -9.335 1.170 -13.234
68 H TRP 9 H TRP 9 -10.020 -2.357 -16.613
69 HA TRP 9 HA TRP 9 -7.140 -2.801 -16.551
70 HD1 TRP 9 HD1 TRP 9 -5.384 -4.196 -16.202
71 HE1 TRP 9 HE1 TRP 9 -3.749 -5.857 -17.295
72 HE3 TRP 9 HE3 TRP 9 -8.745 -7.081 -18.754
73 HZ2 TRP 9 HZ2 TRP 9 -3.869 -8.094 -19.013
74 HZ3 TRP 9 HZ3 TRP 9 -7.903 -8.961 -20.099
75 HH2 TRP 9 HH2 TRP 9 -5.516 -9.455 -20.225
76 HB2 TRP 9 1HB TRP 9 -8.384 -4.924 -15.823
77 HB3 TRP 9 2HB TRP 9 -8.953 -5.018 -17.488
78 H ASP 10 H ASP 10 -6.189 -2.364 -18.456
79 HA ASP 10 HA ASP 10 -5.929 -1.640 -20.597
80 HB2 ASP 10 1HB ASP 10 -6.991 -4.019 -20.869
81 HB3 ASP 10 2HB ASP 10 -8.406 -3.120 -21.410
82 H GLY 11 H GLY 11 -7.594 -0.095 -18.762
83 HA2 GLY 11 1HA GLY 11 -8.371 2.117 -19.367
84 HA3 GLY 11 2HA GLY 11 -9.120 1.408 -20.791
85 H VAL 12 H VAL 12 -10.572 -0.639 -19.891
86 HA VAL 12 HA VAL 12 -12.139 0.186 -17.589
87 HB VAL 12 HB VAL 12 -14.280 0.008 -18.937
88 HG11 VAL 12 1HG1 VAL 12 -12.519 2.340 -19.670
89 HG12 VAL 12 2HG1 VAL 12 -14.277 2.324 -19.514
90 HG13 VAL 12 3HG1 VAL 12 -13.261 2.131 -18.084
91 HG21 VAL 12 3HG2 VAL 12 -12.925 0.901 -21.372
92 HG22 VAL 12 1HG2 VAL 12 -12.624 -0.786 -20.958
93 HG23 VAL 12 2HG2 VAL 12 -14.277 -0.212 -21.169
94 H TYR 13 H TYR 13 -13.295 -1.474 -16.661
95 HA TYR 13 HA TYR 13 -12.414 -4.076 -16.990
96 HD1 TYR 13 HD1 TYR 13 -16.604 -4.375 -16.711
97 HD2 TYR 13 HD2 TYR 13 -14.518 -1.200 -14.793
98 HE1 TYR 13 HE1 TYR 13 -18.676 -3.051 -16.661
99 HE2 TYR 13 HE2 TYR 13 -16.585 0.131 -14.737
100 HH TYR 13 HH TYR 13 -19.511 -1.001 -15.010
101 HB2 TYR 13 1HB TYR 13 -14.411 -4.735 -15.657
102 HB3 TYR 13 2HB TYR 13 -13.525 -3.384 -14.959
103 H ILE 14 H ILE 14 -13.056 -5.825 -18.150
104 HA ILE 14 HA ILE 14 -14.627 -5.341 -20.507
105 HB ILE 14 HB ILE 14 -13.406 -7.906 -19.481
106 HG12 ILE 14 1HG1 ILE 14 -11.892 -7.313 -21.572
107 HG13 ILE 14 2HG1 ILE 14 -12.420 -5.674 -21.207
108 HG21 ILE 14 1HG2 ILE 14 -15.021 -8.653 -20.948
109 HG22 ILE 14 2HG2 ILE 14 -14.901 -7.224 -21.973
110 HG23 ILE 14 3HG2 ILE 14 -13.634 -8.450 -22.018
111 HD11 ILE 14 3HD1 ILE 14 -10.225 -6.480 -20.196
112 HD12 ILE 14 1HD1 ILE 14 -11.375 -5.679 -19.125
113 HD13 ILE 14 2HD1 ILE 14 -11.226 -7.437 -19.103
114 H ARG 15 H ARG 15 -16.762 -5.074 -20.094
115 HA ARG 15 HA ARG 15 -18.194 -7.405 -19.061
116 HE ARG 15 HE ARG 15 -21.661 -6.471 -14.966
117 HB2 ARG 15 1HB ARG 15 -18.017 -5.964 -17.129
118 HB3 ARG 15 2HB ARG 15 -18.567 -4.579 -18.062
119 HG2 ARG 15 1HG ARG 15 -20.759 -5.592 -18.317
120 HG3 ARG 15 2HG ARG 15 -20.213 -7.021 -17.437
121 HD2 ARG 15 1HD ARG 15 -19.679 -5.455 -15.515
122 HD3 ARG 15 2HD ARG 15 -20.579 -4.223 -16.398
123 HH11 ARG 15 1HH1 ARG 15 -22.215 -4.136 -17.489
124 HH12 ARG 15 2HH1 ARG 15 -23.942 -4.249 -17.393
125 HH21 ARG 15 1HH2 ARG 15 -23.933 -6.628 -14.830
126 HH22 ARG 15 2HH2 ARG 15 -24.917 -5.665 -15.879
127 H GLY 16 H GLY 16 -20.043 -7.847 -20.139
128 HA2 GLY 16 1HA GLY 16 -21.607 -7.747 -21.818
129 HA3 GLY 16 2HA GLY 16 -21.757 -6.051 -21.382
130 H ARG 17 H ARG 17 -19.541 -8.207 -23.159
131 HA ARG 17 HA ARG 17 -18.422 -6.178 -24.759
132 HE ARG 17 HE ARG 17 -17.876 -10.083 -27.199
133 HB2 ARG 17 1HB ARG 17 -17.584 -8.580 -24.339
134 HB3 ARG 17 2HB ARG 17 -18.677 -9.043 -25.637
135 HG2 ARG 17 1HG ARG 17 -16.752 -6.831 -26.126
136 HG3 ARG 17 2HG ARG 17 -16.154 -8.492 -26.103
137 HD2 ARG 17 1HD ARG 17 -18.419 -7.475 -27.816
138 HD3 ARG 17 2HD ARG 17 -16.764 -7.733 -28.367
139 HH11 ARG 17 1HH1 ARG 17 -17.818 -8.157 -30.098
140 HH12 ARG 17 2HH1 ARG 17 -18.202 -9.484 -31.143
141 HH21 ARG 17 1HH2 ARG 17 -18.382 -11.839 -28.564
142 HH22 ARG 17 2HH2 ARG 17 -18.524 -11.578 -30.270