Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
27352 | 2rlj RC | 11004 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -4.500 -1.834 -10.577
2 H2 GLY 1 2HT GLY 1 -5.783 -2.419 -11.511
3 H3 GLY 1 3HT GLY 1 -5.855 -2.515 -9.825
4 HA2 GLY 1 1HA GLY 1 -6.545 -0.346 -11.564
5 HA3 GLY 1 2HA GLY 1 -7.019 -0.635 -9.897
6 H ALA 2 H ALA 2 -4.531 -0.685 -8.664
7 HA ALA 2 HA ALA 2 -2.994 0.696 -7.708
8 HB1 ALA 2 3HB ALA 2 -2.139 0.611 -10.097
9 HB2 ALA 2 1HB ALA 2 -1.610 1.978 -9.116
10 HB3 ALA 2 2HB ALA 2 -2.888 2.193 -10.312
11 H ALA 3 H ALA 3 -5.838 1.366 -7.585
12 HA ALA 3 HA ALA 3 -5.720 4.297 -7.387
13 HB1 ALA 3 3HB ALA 3 -8.320 2.976 -7.015
14 HB2 ALA 3 1HB ALA 3 -7.599 2.785 -8.613
15 HB3 ALA 3 2HB ALA 3 -7.892 4.399 -7.966
16 H ILE 4 H ILE 4 -7.521 1.753 -5.659
17 HA ILE 4 HA ILE 4 -6.413 2.700 -3.134
18 HB ILE 4 HB ILE 4 -8.462 3.993 -3.387
19 HG12 ILE 4 2HG1 ILE 4 -9.592 3.302 -1.301
20 HG13 ILE 4 1HG1 ILE 4 -8.743 1.761 -1.359
21 HG21 ILE 4 1HG2 ILE 4 -9.499 2.140 -4.865
22 HG22 ILE 4 2HG2 ILE 4 -10.554 3.102 -3.829
23 HG23 ILE 4 3HG2 ILE 4 -10.077 1.476 -3.338
24 HD11 ILE 4 3HD1 ILE 4 -7.919 3.936 0.024
25 HD12 ILE 4 1HD1 ILE 4 -7.002 4.110 -1.471
26 HD13 ILE 4 2HD1 ILE 4 -6.865 2.631 -0.520
27 H GLY 5 H GLY 5 -8.457 0.368 -4.778
28 HA2 GLY 5 2HA GLY 5 -8.702 -1.565 -2.804
29 HA3 GLY 5 1HA GLY 5 -8.674 -1.908 -4.529
30 H LEU 6 H LEU 6 -5.902 -0.693 -4.645
31 HA LEU 6 HA LEU 6 -4.450 -2.966 -3.457
32 HG LEU 6 HG LEU 6 -1.802 -2.403 -5.085
33 HB2 LEU 6 2HB LEU 6 -4.615 -3.149 -5.901
34 HB3 LEU 6 1HB LEU 6 -3.894 -1.560 -6.073
35 HD11 LEU 6 1HD1 LEU 6 -3.488 -4.773 -4.622
36 HD12 LEU 6 2HD1 LEU 6 -2.111 -4.159 -3.708
37 HD13 LEU 6 3HD1 LEU 6 -1.846 -5.092 -5.181
38 HD21 LEU 6 3HD2 LEU 6 -1.050 -3.573 -6.991
39 HD22 LEU 6 1HD2 LEU 6 -2.324 -2.495 -7.561
40 HD23 LEU 6 2HD2 LEU 6 -2.659 -4.211 -7.330
41 H ALA 7 H ALA 7 -4.494 -1.143 -1.714
42 HA ALA 7 HA ALA 7 -2.079 0.509 -2.085
43 HB1 ALA 7 3HB ALA 7 -3.280 1.882 -0.173
44 HB2 ALA 7 1HB ALA 7 -4.718 1.163 -0.898
45 HB3 ALA 7 2HB ALA 7 -3.637 2.154 -1.879
46 H TRP 8 H TRP 8 -1.840 -2.082 -1.207
47 HA TRP 8 HA TRP 8 -1.149 -1.714 1.642
48 HD1 TRP 8 HD TRP 8 -3.793 -3.656 -1.144
49 HE1 TRP 8 1HE TRP 8 -3.393 -5.633 -2.743
50 HE3 TRP 8 3HE TRP 8 0.078 -5.911 1.311
51 HZ2 TRP 8 2HZ TRP 8 -1.644 -7.842 -2.950
52 HZ3 TRP 8 3HZ TRP 8 1.076 -7.935 0.338
53 HH2 TRP 8 HH TRP 8 0.230 -8.881 -1.750
54 HB2 TRP 8 2HB TRP 8 -1.546 -4.139 1.956
55 HB3 TRP 8 1HB TRP 8 -3.016 -3.292 1.457
56 H ILE 9 H ILE 9 -0.387 -3.110 -1.458
57 HA ILE 9 HA ILE 9 1.936 -4.500 -0.773
58 HB ILE 9 HB ILE 9 0.765 -4.874 -2.866
59 HG12 ILE 9 2HG1 ILE 9 3.630 -3.951 -3.145
60 HG13 ILE 9 1HG1 ILE 9 3.068 -5.572 -2.752
61 HG21 ILE 9 1HG2 ILE 9 1.862 -2.229 -3.798
62 HG22 ILE 9 2HG2 ILE 9 0.200 -2.475 -3.262
63 HG23 ILE 9 3HG2 ILE 9 0.803 -3.328 -4.683
64 HD11 ILE 9 3HD1 ILE 9 3.613 -4.489 -5.290
65 HD12 ILE 9 1HD1 ILE 9 1.875 -4.772 -5.202
66 HD13 ILE 9 2HD1 ILE 9 3.001 -6.095 -4.893
67 HA PRO 10 HA PRO 10 4.033 -0.144 -2.313
68 HB2 PRO 10 2HB PRO 10 2.995 1.510 -0.214
69 HB3 PRO 10 1HB PRO 10 2.840 1.738 -1.958
70 HG2 PRO 10 2HG PRO 10 0.948 0.515 -0.036
71 HG3 PRO 10 1HG PRO 10 0.619 1.349 -1.565
72 HD2 PRO 10 2HD PRO 10 0.358 -1.289 -1.370
73 HD3 PRO 10 1HD PRO 10 1.046 -0.561 -2.835
74 H TYR 11 H TYR 11 3.107 -1.470 0.792
75 HA TYR 11 HA TYR 11 5.235 -0.529 2.353
76 HD1 TYR 11 1HD TYR 11 1.895 -0.927 1.978
77 HD2 TYR 11 2HD TYR 11 3.959 -1.580 5.642
78 HE1 TYR 11 1HE TYR 11 0.240 0.455 3.150
79 HE2 TYR 11 2HE TYR 11 2.305 -0.200 6.823
80 HH TYR 11 HH TYR 11 0.049 0.594 6.571
81 HB2 TYR 11 2HB TYR 11 3.558 -3.031 2.543
82 HB3 TYR 11 1HB TYR 11 4.760 -2.596 3.751
83 H PHE 12 H PHE 12 4.930 -3.301 0.208
84 HA PHE 12 HA PHE 12 7.568 -4.295 0.878
85 HD1 PHE 12 1HD PHE 12 3.976 -4.741 0.727
86 HD2 PHE 12 2HD PHE 12 6.944 -7.789 0.601
87 HE1 PHE 12 1HE PHE 12 2.725 -6.024 2.413
88 HE2 PHE 12 2HE PHE 12 5.692 -9.080 2.283
89 HZ PHE 12 HZ PHE 12 3.581 -8.197 3.190
90 HB2 PHE 12 2HB PHE 12 5.646 -5.174 -1.293
91 HB3 PHE 12 1HB PHE 12 7.127 -6.014 -0.828
92 H GLY 13 H GLY 13 6.041 -2.355 -1.590
93 HA2 GLY 13 2HA GLY 13 7.852 -0.778 -2.527
94 HA3 GLY 13 1HA GLY 13 8.557 -2.276 -3.115
95 HA PRO 14 HA PRO 14 4.564 -0.569 -5.580
96 HB2 PRO 14 2HB PRO 14 6.513 1.341 -6.792
97 HB3 PRO 14 1HB PRO 14 4.779 1.540 -6.487
98 HG2 PRO 14 2HG PRO 14 6.577 2.715 -4.913
99 HG3 PRO 14 1HG PRO 14 5.098 2.007 -4.235
100 HD2 PRO 14 2HD PRO 14 7.896 0.977 -4.174
101 HD3 PRO 14 1HD PRO 14 6.614 0.840 -2.954
102 H ALA 15 H ALA 15 7.991 -0.716 -6.492
103 HA ALA 15 HA ALA 15 7.253 -2.151 -8.945
104 HB1 ALA 15 3HB ALA 15 8.676 -0.550 -9.697
105 HB2 ALA 15 1HB ALA 15 9.874 -1.773 -9.270
106 HB3 ALA 15 2HB ALA 15 9.540 -0.440 -8.164
107 H ALA 16 H ALA 16 6.815 -3.775 -6.946
108 HA ALA 16 HA ALA 16 8.970 -5.185 -5.843
109 HB1 ALA 16 3HB ALA 16 6.939 -5.564 -4.791
110 HB2 ALA 16 1HB ALA 16 7.201 -7.065 -5.680
111 HB3 ALA 16 2HB ALA 16 6.090 -5.850 -6.311
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -5.606 7.030 2.843
2 H2 GLY 1 2HT GLY 1 -5.107 8.589 2.414
3 H3 GLY 1 3HT GLY 1 -3.957 7.377 2.680
4 HA2 GLY 1 1HA GLY 1 -4.593 8.021 0.269
5 HA3 GLY 1 2HA GLY 1 -4.340 6.336 0.698
6 H ALA 2 H ALA 2 -5.753 6.630 -1.476
7 HA ALA 2 HA ALA 2 -8.577 6.900 -0.956
8 HB1 ALA 2 3HB ALA 2 -8.830 7.002 -3.196
9 HB2 ALA 2 1HB ALA 2 -7.707 5.677 -3.492
10 HB3 ALA 2 2HB ALA 2 -7.091 7.297 -3.169
11 H ALA 3 H ALA 3 -6.264 4.296 -1.363
12 HA ALA 3 HA ALA 3 -6.407 2.048 -1.052
13 HB1 ALA 3 3HB ALA 3 -7.612 3.095 1.070
14 HB2 ALA 3 1HB ALA 3 -7.537 1.353 0.797
15 HB3 ALA 3 2HB ALA 3 -8.997 2.249 0.378
16 H ILE 4 H ILE 4 -6.924 2.193 -3.457
17 HA ILE 4 HA ILE 4 -9.629 1.634 -4.231
18 HB ILE 4 HB ILE 4 -8.679 1.444 -6.478
19 HG12 ILE 4 2HG1 ILE 4 -6.036 1.955 -5.117
20 HG13 ILE 4 1HG1 ILE 4 -6.516 0.451 -5.897
21 HG21 ILE 4 1HG2 ILE 4 -7.551 3.877 -5.144
22 HG22 ILE 4 2HG2 ILE 4 -9.280 3.639 -5.391
23 HG23 ILE 4 3HG2 ILE 4 -8.197 3.730 -6.778
24 HD11 ILE 4 3HD1 ILE 4 -5.606 1.211 -7.760
25 HD12 ILE 4 1HD1 ILE 4 -5.321 2.791 -7.030
26 HD13 ILE 4 2HD1 ILE 4 -6.861 2.449 -7.819
27 H GLY 5 H GLY 5 -7.367 -0.236 -2.771
28 HA2 GLY 5 2HA GLY 5 -8.147 -2.591 -2.485
29 HA3 GLY 5 1HA GLY 5 -8.206 -2.658 -4.240
30 H LEU 6 H LEU 6 -5.657 -0.908 -4.144
31 HA LEU 6 HA LEU 6 -3.780 -3.077 -3.474
32 HG LEU 6 HG LEU 6 -4.001 -4.248 -5.760
33 HB2 LEU 6 2HB LEU 6 -3.668 -1.247 -5.875
34 HB3 LEU 6 1HB LEU 6 -2.409 -2.375 -5.416
35 HD11 LEU 6 1HD1 LEU 6 -6.167 -3.699 -5.673
36 HD12 LEU 6 2HD1 LEU 6 -5.965 -3.255 -7.369
37 HD13 LEU 6 3HD1 LEU 6 -5.860 -2.019 -6.115
38 HD21 LEU 6 3HD2 LEU 6 -2.461 -3.111 -7.552
39 HD22 LEU 6 1HD2 LEU 6 -4.002 -2.670 -8.286
40 HD23 LEU 6 2HD2 LEU 6 -3.608 -4.368 -8.014
41 H ALA 7 H ALA 7 -4.422 -1.041 -1.703
42 HA ALA 7 HA ALA 7 -2.183 0.848 -1.864
43 HB1 ALA 7 3HB ALA 7 -3.328 2.120 -0.153
44 HB2 ALA 7 1HB ALA 7 -4.541 0.850 0.009
45 HB3 ALA 7 2HB ALA 7 -4.426 1.775 -1.489
46 H TRP 8 H TRP 8 -2.142 -2.089 -1.020
47 HA TRP 8 HA TRP 8 -0.975 -1.717 1.661
48 HD1 TRP 8 HD TRP 8 -3.845 -3.572 -0.905
49 HE1 TRP 8 1HE TRP 8 -3.637 -5.528 -2.566
50 HE3 TRP 8 3HE TRP 8 0.160 -5.968 1.169
51 HZ2 TRP 8 2HZ TRP 8 -1.975 -7.778 -2.955
52 HZ3 TRP 8 3HZ TRP 8 1.013 -8.002 0.084
53 HH2 TRP 8 HH TRP 8 -0.036 -8.887 -1.938
54 HB2 TRP 8 2HB TRP 8 -1.312 -4.154 1.958
55 HB3 TRP 8 1HB TRP 8 -2.833 -3.308 1.650
56 H ILE 9 H ILE 9 -0.542 -3.159 -1.514
57 HA ILE 9 HA ILE 9 1.820 -4.527 -1.101
58 HB ILE 9 HB ILE 9 0.626 -4.860 -3.125
59 HG12 ILE 9 2HG1 ILE 9 3.119 -5.132 -3.113
60 HG13 ILE 9 1HG1 ILE 9 2.408 -4.923 -4.708
61 HG21 ILE 9 1HG2 ILE 9 1.363 -2.152 -4.160
62 HG22 ILE 9 2HG2 ILE 9 -0.128 -2.431 -3.268
63 HG23 ILE 9 3HG2 ILE 9 0.172 -3.294 -4.774
64 HD11 ILE 9 3HD1 ILE 9 3.917 -3.342 -5.065
65 HD12 ILE 9 1HD1 ILE 9 4.448 -3.399 -3.386
66 HD13 ILE 9 2HD1 ILE 9 3.108 -2.354 -3.852
67 HA PRO 10 HA PRO 10 4.046 -0.216 -2.449
68 HB2 PRO 10 2HB PRO 10 2.957 1.510 -0.451
69 HB3 PRO 10 1HB PRO 10 2.852 1.690 -2.202
70 HG2 PRO 10 2HG PRO 10 0.890 0.545 -0.298
71 HG3 PRO 10 1HG PRO 10 0.611 1.369 -1.842
72 HD2 PRO 10 2HD PRO 10 0.292 -1.266 -1.621
73 HD3 PRO 10 1HD PRO 10 1.018 -0.564 -3.082
74 H TYR 11 H TYR 11 2.853 -1.456 0.595
75 HA TYR 11 HA TYR 11 4.812 -0.603 2.363
76 HD1 TYR 11 2HD TYR 11 2.827 0.203 2.266
77 HD2 TYR 11 1HD TYR 11 1.700 -3.279 4.442
78 HE1 TYR 11 2HE TYR 11 0.815 1.362 3.070
79 HE2 TYR 11 1HE TYR 11 -0.314 -2.124 5.252
80 HH TYR 11 HH TYR 11 -0.762 1.218 4.958
81 HB2 TYR 11 2HB TYR 11 3.325 -3.236 2.282
82 HB3 TYR 11 1HB TYR 11 4.228 -2.639 3.671
83 H PHE 12 H PHE 12 4.807 -3.319 0.113
84 HA PHE 12 HA PHE 12 7.374 -4.282 1.013
85 HD1 PHE 12 1HD PHE 12 3.973 -4.823 0.752
86 HD2 PHE 12 2HD PHE 12 6.940 -7.830 0.246
87 HE1 PHE 12 1HE PHE 12 2.726 -6.302 2.268
88 HE2 PHE 12 2HE PHE 12 5.697 -9.318 1.760
89 HZ PHE 12 HZ PHE 12 3.584 -8.554 2.771
90 HB2 PHE 12 2HB PHE 12 5.664 -5.068 -1.357
91 HB3 PHE 12 1HB PHE 12 7.168 -5.873 -0.898
92 H GLY 13 H GLY 13 6.146 -2.209 -1.511
93 HA2 GLY 13 2HA GLY 13 8.267 -0.693 -2.040
94 HA3 GLY 13 1HA GLY 13 8.711 -2.164 -2.892
95 HA PRO 14 HA PRO 14 5.013 0.170 -5.075
96 HB2 PRO 14 2HB PRO 14 5.684 2.777 -5.451
97 HB3 PRO 14 1HB PRO 14 4.718 2.217 -4.075
98 HG2 PRO 14 2HG PRO 14 7.644 2.843 -4.209
99 HG3 PRO 14 1HG PRO 14 6.466 3.264 -2.953
100 HD2 PRO 14 2HD PRO 14 8.184 1.194 -2.690
101 HD3 PRO 14 1HD PRO 14 6.552 1.167 -1.993
102 H ALA 15 H ALA 15 8.456 0.779 -5.325
103 HA ALA 15 HA ALA 15 8.334 1.122 -8.205
104 HB1 ALA 15 3HB ALA 15 10.603 1.164 -6.232
105 HB2 ALA 15 1HB ALA 15 9.914 2.516 -7.130
106 HB3 ALA 15 2HB ALA 15 10.844 1.279 -7.975
107 H ALA 16 H ALA 16 8.802 -1.408 -5.936
108 HA ALA 16 HA ALA 16 10.194 -3.147 -7.791
109 HB1 ALA 16 3HB ALA 16 9.010 -3.920 -5.135
110 HB2 ALA 16 1HB ALA 16 10.581 -3.135 -5.296
111 HB3 ALA 16 2HB ALA 16 10.308 -4.717 -6.025
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -4.483 -4.622 1.840
2 H2 GLY 1 2HT GLY 1 -5.955 -4.601 2.671
3 H3 GLY 1 3HT GLY 1 -4.664 -3.655 3.214
4 HA2 GLY 1 1HA GLY 1 -4.758 -2.305 1.219
5 HA3 GLY 1 2HA GLY 1 -6.081 -3.301 0.630
6 H ALA 2 H ALA 2 -8.128 -2.843 1.246
7 HA ALA 2 HA ALA 2 -9.883 -1.693 2.124
8 HB1 ALA 2 3HB ALA 2 -9.976 -1.543 4.387
9 HB2 ALA 2 1HB ALA 2 -8.370 -0.824 4.518
10 HB3 ALA 2 2HB ALA 2 -8.540 -2.560 4.256
11 H ALA 3 H ALA 3 -9.052 -0.232 0.264
12 HA ALA 3 HA ALA 3 -9.379 2.454 1.085
13 HB1 ALA 3 3HB ALA 3 -7.140 2.469 1.810
14 HB2 ALA 3 1HB ALA 3 -7.122 3.254 0.231
15 HB3 ALA 3 2HB ALA 3 -6.589 1.580 0.390
16 H ILE 4 H ILE 4 -7.299 1.240 -1.522
17 HA ILE 4 HA ILE 4 -9.308 2.206 -3.449
18 HB ILE 4 HB ILE 4 -6.316 2.015 -3.820
19 HG12 ILE 4 2HG1 ILE 4 -8.120 4.423 -3.481
20 HG13 ILE 4 1HG1 ILE 4 -6.968 3.823 -2.292
21 HG21 ILE 4 1HG2 ILE 4 -6.893 1.897 -5.986
22 HG22 ILE 4 2HG2 ILE 4 -7.250 3.615 -5.815
23 HG23 ILE 4 3HG2 ILE 4 -8.546 2.427 -5.677
24 HD11 ILE 4 3HD1 ILE 4 -5.746 4.343 -4.874
25 HD12 ILE 4 1HD1 ILE 4 -5.272 4.880 -3.262
26 HD13 ILE 4 2HD1 ILE 4 -6.499 5.771 -4.163
27 H GLY 5 H GLY 5 -7.516 -0.503 -2.360
28 HA2 GLY 5 2HA GLY 5 -8.500 -2.662 -3.100
29 HA3 GLY 5 1HA GLY 5 -8.383 -2.031 -4.737
30 H LEU 6 H LEU 6 -5.705 -0.797 -3.741
31 HA LEU 6 HA LEU 6 -4.049 -3.164 -3.500
32 HG LEU 6 HG LEU 6 -1.590 -2.208 -5.232
33 HB2 LEU 6 2HB LEU 6 -4.439 -2.935 -5.932
34 HB3 LEU 6 1HB LEU 6 -3.786 -1.311 -5.870
35 HD11 LEU 6 1HD1 LEU 6 -1.175 -4.605 -5.275
36 HD12 LEU 6 2HD1 LEU 6 -2.890 -4.906 -5.556
37 HD13 LEU 6 3HD1 LEU 6 -2.359 -4.194 -4.034
38 HD21 LEU 6 3HD2 LEU 6 -1.041 -3.261 -7.360
39 HD22 LEU 6 1HD2 LEU 6 -2.117 -1.885 -7.594
40 HD23 LEU 6 2HD2 LEU 6 -2.755 -3.526 -7.680
41 H ALA 7 H ALA 7 -4.640 -0.817 -1.891
42 HA ALA 7 HA ALA 7 -2.146 0.708 -1.984
43 HB1 ALA 7 3HB ALA 7 -3.431 1.892 0.002
44 HB2 ALA 7 1HB ALA 7 -4.822 1.145 -0.783
45 HB3 ALA 7 2HB ALA 7 -3.789 2.253 -1.688
46 H TRP 8 H TRP 8 -1.875 -1.961 -1.247
47 HA TRP 8 HA TRP 8 -1.126 -1.708 1.597
48 HD1 TRP 8 HD TRP 8 -3.872 -3.489 -1.182
49 HE1 TRP 8 1HE TRP 8 -3.554 -5.405 -2.872
50 HE3 TRP 8 3HE TRP 8 0.017 -5.920 1.071
51 HZ2 TRP 8 2HZ TRP 8 -1.858 -7.638 -3.217
52 HZ3 TRP 8 3HZ TRP 8 0.946 -7.922 -0.011
53 HH2 TRP 8 HH TRP 8 0.026 -8.763 -2.112
54 HB2 TRP 8 2HB TRP 8 -1.546 -4.143 1.828
55 HB3 TRP 8 1HB TRP 8 -3.014 -3.253 1.411
56 H ILE 9 H ILE 9 -0.447 -2.997 -1.572
57 HA ILE 9 HA ILE 9 1.859 -4.454 -0.986
58 HB ILE 9 HB ILE 9 0.674 -4.722 -3.078
59 HG12 ILE 9 2HG1 ILE 9 3.535 -3.791 -3.356
60 HG13 ILE 9 1HG1 ILE 9 2.975 -5.430 -3.038
61 HG21 ILE 9 1HG2 ILE 9 0.672 -3.100 -4.819
62 HG22 ILE 9 2HG2 ILE 9 1.762 -2.046 -3.918
63 HG23 ILE 9 3HG2 ILE 9 0.113 -2.302 -3.348
64 HD11 ILE 9 3HD1 ILE 9 3.480 -4.214 -5.527
65 HD12 ILE 9 1HD1 ILE 9 1.745 -4.513 -5.425
66 HD13 ILE 9 2HD1 ILE 9 2.883 -5.842 -5.201
67 HA PRO 10 HA PRO 10 4.077 -0.116 -2.338
68 HB2 PRO 10 2HB PRO 10 3.041 1.559 -0.269
69 HB3 PRO 10 1HB PRO 10 2.897 1.783 -2.012
70 HG2 PRO 10 2HG PRO 10 0.976 0.591 -0.096
71 HG3 PRO 10 1HG PRO 10 0.664 1.455 -1.613
72 HD2 PRO 10 2HD PRO 10 0.344 -1.180 -1.455
73 HD3 PRO 10 1HD PRO 10 1.047 -0.446 -2.911
74 H TYR 11 H TYR 11 3.015 -1.489 0.686
75 HA TYR 11 HA TYR 11 5.072 -0.634 2.375
76 HD1 TYR 11 1HD TYR 11 1.786 -0.914 1.842
77 HD2 TYR 11 2HD TYR 11 3.628 -1.858 5.559
78 HE1 TYR 11 1HE TYR 11 0.107 0.443 3.012
79 HE2 TYR 11 2HE TYR 11 1.950 -0.504 6.739
80 HH TYR 11 HH TYR 11 0.429 1.466 6.149
81 HB2 TYR 11 2HB TYR 11 3.353 -3.111 2.369
82 HB3 TYR 11 1HB TYR 11 4.512 -2.768 3.651
83 H PHE 12 H PHE 12 4.853 -3.331 0.121
84 HA PHE 12 HA PHE 12 7.359 -4.484 0.906
85 HD1 PHE 12 1HD PHE 12 3.866 -4.791 0.459
86 HD2 PHE 12 2HD PHE 12 6.737 -7.890 -0.068
87 HE1 PHE 12 1HE PHE 12 2.485 -6.297 1.824
88 HE2 PHE 12 2HE PHE 12 5.355 -9.403 1.293
89 HZ PHE 12 HZ PHE 12 3.227 -8.608 2.241
90 HB2 PHE 12 2HB PHE 12 5.646 -4.953 -1.545
91 HB3 PHE 12 1HB PHE 12 7.075 -5.897 -1.126
92 H GLY 13 H GLY 13 6.318 -2.072 -1.370
93 HA2 GLY 13 2HA GLY 13 9.133 -1.711 -2.166
94 HA3 GLY 13 1HA GLY 13 7.867 -1.727 -3.385
95 HA PRO 14 HA PRO 14 7.170 2.253 -0.594
96 HB2 PRO 14 2HB PRO 14 9.548 3.073 0.568
97 HB3 PRO 14 1HB PRO 14 8.241 2.233 1.414
98 HG2 PRO 14 2HG PRO 14 10.780 1.140 0.282
99 HG3 PRO 14 1HG PRO 14 9.942 0.713 1.784
100 HD2 PRO 14 2HD PRO 14 9.810 -0.845 -0.399
101 HD3 PRO 14 1HD PRO 14 8.423 -0.655 0.696
102 H ALA 15 H ALA 15 10.666 2.380 -1.224
103 HA ALA 15 HA ALA 15 11.909 3.615 -2.675
104 HB1 ALA 15 3HB ALA 15 9.637 3.695 -4.610
105 HB2 ALA 15 1HB ALA 15 10.414 2.156 -4.234
106 HB3 ALA 15 2HB ALA 15 11.361 3.481 -4.909
107 H ALA 16 H ALA 16 12.117 5.542 -1.620
108 HA ALA 16 HA ALA 16 10.679 7.781 -2.726
109 HB1 ALA 16 3HB ALA 16 10.543 7.815 0.217
110 HB2 ALA 16 1HB ALA 16 9.457 6.685 -0.592
111 HB3 ALA 16 2HB ALA 16 9.392 8.404 -0.982
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -4.336 5.089 4.162
2 H2 GLY 1 2HT GLY 1 -4.830 3.581 4.747
3 H3 GLY 1 3HT GLY 1 -4.796 4.920 5.780
4 HA2 GLY 1 1HA GLY 1 -7.003 4.041 4.573
5 HA3 GLY 1 2HA GLY 1 -6.765 5.699 5.101
6 H ALA 2 H ALA 2 -6.295 3.535 2.330
7 HA ALA 2 HA ALA 2 -6.589 5.873 0.561
8 HB1 ALA 2 3HB ALA 2 -5.333 4.707 -1.105
9 HB2 ALA 2 1HB ALA 2 -5.345 3.224 -0.152
10 HB3 ALA 2 2HB ALA 2 -4.433 4.626 0.408
11 H ALA 3 H ALA 3 -7.510 2.478 1.001
12 HA ALA 3 HA ALA 3 -9.296 1.271 0.275
13 HB1 ALA 3 3HB ALA 3 -10.848 2.570 1.321
14 HB2 ALA 3 1HB ALA 3 -11.348 2.831 -0.350
15 HB3 ALA 3 2HB ALA 3 -10.358 4.037 0.472
16 H ILE 4 H ILE 4 -7.437 1.423 -1.613
17 HA ILE 4 HA ILE 4 -8.850 2.111 -4.103
18 HB ILE 4 HB ILE 4 -5.883 1.723 -3.685
19 HG12 ILE 4 2HG1 ILE 4 -7.501 4.251 -4.074
20 HG13 ILE 4 1HG1 ILE 4 -6.705 3.753 -2.585
21 HG21 ILE 4 1HG2 ILE 4 -7.570 1.998 -6.063
22 HG22 ILE 4 2HG2 ILE 4 -5.938 1.351 -5.896
23 HG23 ILE 4 3HG2 ILE 4 -6.187 3.093 -6.022
24 HD11 ILE 4 3HD1 ILE 4 -5.212 4.243 -5.140
25 HD12 ILE 4 1HD1 ILE 4 -4.563 4.091 -3.508
26 HD13 ILE 4 2HD1 ILE 4 -5.525 5.503 -3.947
27 H GLY 5 H GLY 5 -7.637 -0.463 -2.211
28 HA2 GLY 5 2HA GLY 5 -8.180 -2.727 -2.604
29 HA3 GLY 5 1HA GLY 5 -8.395 -2.355 -4.308
30 H LEU 6 H LEU 6 -5.590 -0.892 -3.302
31 HA LEU 6 HA LEU 6 -3.838 -3.168 -3.436
32 HG LEU 6 HG LEU 6 -1.575 -2.004 -5.306
33 HB2 LEU 6 2HB LEU 6 -4.438 -2.831 -5.810
34 HB3 LEU 6 1HB LEU 6 -3.853 -1.183 -5.713
35 HD11 LEU 6 1HD1 LEU 6 -1.090 -4.403 -5.579
36 HD12 LEU 6 2HD1 LEU 6 -2.824 -4.729 -5.606
37 HD13 LEU 6 3HD1 LEU 6 -2.074 -4.067 -4.154
38 HD21 LEU 6 3HD2 LEU 6 -2.598 -3.482 -7.696
39 HD22 LEU 6 1HD2 LEU 6 -1.106 -2.562 -7.506
40 HD23 LEU 6 2HD2 LEU 6 -2.650 -1.719 -7.638
41 H ALA 7 H ALA 7 -4.415 -0.872 -1.695
42 HA ALA 7 HA ALA 7 -2.011 0.768 -1.903
43 HB1 ALA 7 3HB ALA 7 -3.839 1.100 0.390
44 HB2 ALA 7 1HB ALA 7 -4.500 1.452 -1.207
45 HB3 ALA 7 2HB ALA 7 -3.069 2.310 -0.635
46 H TRP 8 H TRP 8 -2.053 -2.153 -1.111
47 HA TRP 8 HA TRP 8 -0.857 -1.920 1.562
48 HD1 TRP 8 HD TRP 8 -3.791 -3.495 -1.007
49 HE1 TRP 8 1HE TRP 8 -3.760 -5.318 -2.825
50 HE3 TRP 8 3HE TRP 8 0.186 -6.227 0.662
51 HZ2 TRP 8 2HZ TRP 8 -2.233 -7.603 -3.474
52 HZ3 TRP 8 3HZ TRP 8 0.883 -8.199 -0.621
53 HH2 TRP 8 HH TRP 8 -0.304 -8.878 -2.645
54 HB2 TRP 8 2HB TRP 8 -1.117 -4.414 1.642
55 HB3 TRP 8 1HB TRP 8 -2.644 -3.534 1.530
56 H ILE 9 H ILE 9 -0.341 -3.129 -1.700
57 HA ILE 9 HA ILE 9 2.113 -4.408 -1.333
58 HB ILE 9 HB ILE 9 0.983 -4.716 -3.394
59 HG12 ILE 9 2HG1 ILE 9 3.489 -4.725 -3.392
60 HG13 ILE 9 1HG1 ILE 9 2.757 -4.475 -4.973
61 HG21 ILE 9 1HG2 ILE 9 1.429 -1.895 -4.276
62 HG22 ILE 9 2HG2 ILE 9 -0.002 -2.347 -3.360
63 HG23 ILE 9 3HG2 ILE 9 0.325 -3.107 -4.915
64 HD11 ILE 9 3HD1 ILE 9 3.171 -1.916 -3.979
65 HD12 ILE 9 1HD1 ILE 9 4.144 -2.755 -5.185
66 HD13 ILE 9 2HD1 ILE 9 4.594 -2.824 -3.482
67 HA PRO 10 HA PRO 10 4.046 0.116 -2.362
68 HB2 PRO 10 2HB PRO 10 2.806 1.661 -0.325
69 HB3 PRO 10 1HB PRO 10 2.677 1.905 -2.069
70 HG2 PRO 10 2HG PRO 10 0.836 0.492 -0.208
71 HG3 PRO 10 1HG PRO 10 0.461 1.415 -1.676
72 HD2 PRO 10 2HD PRO 10 0.340 -1.236 -1.686
73 HD3 PRO 10 1HD PRO 10 1.028 -0.372 -3.079
74 H TYR 11 H TYR 11 2.767 -1.339 0.537
75 HA TYR 11 HA TYR 11 4.620 -0.547 2.445
76 HD1 TYR 11 2HD TYR 11 2.625 0.239 2.300
77 HD2 TYR 11 1HD TYR 11 1.448 -3.381 4.205
78 HE1 TYR 11 2HE TYR 11 0.557 1.321 3.069
79 HE2 TYR 11 1HE TYR 11 -0.622 -2.305 4.979
80 HH TYR 11 HH TYR 11 -1.432 0.012 5.442
81 HB2 TYR 11 2HB TYR 11 3.176 -3.188 2.134
82 HB3 TYR 11 1HB TYR 11 4.001 -2.664 3.600
83 H PHE 12 H PHE 12 4.618 -3.499 0.432
84 HA PHE 12 HA PHE 12 7.485 -3.787 1.033
85 HD1 PHE 12 1HD PHE 12 6.070 -5.874 -2.046
86 HD2 PHE 12 2HD PHE 12 4.003 -6.383 1.635
87 HE1 PHE 12 1HE PHE 12 4.124 -6.738 -3.268
88 HE2 PHE 12 2HE PHE 12 2.051 -7.247 0.423
89 HZ PHE 12 HZ PHE 12 2.113 -7.431 -2.039
90 HB2 PHE 12 2HB PHE 12 7.205 -6.133 0.310
91 HB3 PHE 12 1HB PHE 12 6.183 -5.714 1.681
92 H GLY 13 H GLY 13 6.148 -2.063 -1.089
93 HA2 GLY 13 2HA GLY 13 8.103 -2.562 -3.116
94 HA3 GLY 13 1HA GLY 13 6.493 -3.017 -3.650
95 HA PRO 14 HA PRO 14 6.472 1.821 -2.668
96 HB2 PRO 14 2HB PRO 14 9.369 2.274 -3.170
97 HB3 PRO 14 1HB PRO 14 8.292 3.048 -1.996
98 HG2 PRO 14 2HG PRO 14 10.086 1.239 -1.215
99 HG3 PRO 14 1HG PRO 14 8.472 1.301 -0.483
100 HD2 PRO 14 2HD PRO 14 9.565 -0.602 -2.513
101 HD3 PRO 14 1HD PRO 14 8.461 -0.911 -1.156
102 H ALA 15 H ALA 15 9.259 1.088 -4.773
103 HA ALA 15 HA ALA 15 7.902 2.461 -6.972
104 HB1 ALA 15 3HB ALA 15 9.942 2.961 -7.825
105 HB2 ALA 15 1HB ALA 15 10.655 1.430 -7.315
106 HB3 ALA 15 2HB ALA 15 10.425 2.730 -6.144
107 H ALA 16 H ALA 16 6.405 0.540 -7.032
108 HA ALA 16 HA ALA 16 6.987 -1.055 -9.272
109 HB1 ALA 16 3HB ALA 16 8.382 -2.108 -7.330
110 HB2 ALA 16 1HB ALA 16 7.495 -3.144 -8.450
111 HB3 ALA 16 2HB ALA 16 6.828 -2.796 -6.855
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -3.839 -1.207 6.011
2 H2 GLY 1 2HT GLY 1 -5.482 -1.361 5.640
3 H3 GLY 1 3HT GLY 1 -4.760 0.169 5.658
4 HA2 GLY 1 1HA GLY 1 -3.913 -0.030 3.610
5 HA3 GLY 1 2HA GLY 1 -3.490 -1.715 3.876
6 H ALA 2 H ALA 2 -6.493 0.210 3.713
7 HA ALA 2 HA ALA 2 -7.441 -1.482 1.542
8 HB1 ALA 2 3HB ALA 2 -9.358 -2.286 2.589
9 HB2 ALA 2 1HB ALA 2 -9.240 -1.123 3.911
10 HB3 ALA 2 2HB ALA 2 -8.109 -2.473 3.821
11 H ALA 3 H ALA 3 -6.676 1.327 1.856
12 HA ALA 3 HA ALA 3 -8.987 2.966 1.946
13 HB1 ALA 3 3HB ALA 3 -7.548 4.722 1.067
14 HB2 ALA 3 1HB ALA 3 -6.314 3.529 0.667
15 HB3 ALA 3 2HB ALA 3 -6.732 3.834 2.353
16 H ILE 4 H ILE 4 -7.123 1.562 -0.723
17 HA ILE 4 HA ILE 4 -9.348 2.240 -2.537
18 HB ILE 4 HB ILE 4 -6.420 1.921 -3.222
19 HG12 ILE 4 2HG1 ILE 4 -6.889 4.021 -2.064
20 HG13 ILE 4 1HG1 ILE 4 -6.535 4.326 -3.763
21 HG21 ILE 4 1HG2 ILE 4 -7.497 3.029 -5.412
22 HG22 ILE 4 2HG2 ILE 4 -8.870 2.064 -4.869
23 HG23 ILE 4 3HG2 ILE 4 -7.321 1.287 -5.200
24 HD11 ILE 4 3HD1 ILE 4 -9.311 3.952 -3.560
25 HD12 ILE 4 1HD1 ILE 4 -8.432 5.437 -3.924
26 HD13 ILE 4 2HD1 ILE 4 -8.834 5.037 -2.254
27 H GLY 5 H GLY 5 -7.749 -0.260 -0.983
28 HA2 GLY 5 2HA GLY 5 -8.316 -2.528 -1.132
29 HA3 GLY 5 1HA GLY 5 -9.034 -2.221 -2.709
30 H LEU 6 H LEU 6 -6.393 -0.652 -3.243
31 HA LEU 6 HA LEU 6 -4.693 -3.002 -3.756
32 HG LEU 6 HG LEU 6 -5.894 -3.701 -5.914
33 HB2 LEU 6 2HB LEU 6 -5.273 -0.754 -5.688
34 HB3 LEU 6 1HB LEU 6 -4.073 -2.006 -5.938
35 HD11 LEU 6 1HD1 LEU 6 -7.461 -1.359 -5.174
36 HD12 LEU 6 2HD1 LEU 6 -7.819 -3.076 -4.979
37 HD13 LEU 6 3HD1 LEU 6 -8.160 -2.273 -6.510
38 HD21 LEU 6 3HD2 LEU 6 -5.087 -2.985 -8.029
39 HD22 LEU 6 1HD2 LEU 6 -6.006 -1.481 -7.943
40 HD23 LEU 6 2HD2 LEU 6 -6.848 -3.020 -8.132
41 H ALA 7 H ALA 7 -4.684 -0.790 -1.728
42 HA ALA 7 HA ALA 7 -2.031 0.331 -2.359
43 HB1 ALA 7 3HB ALA 7 -2.542 2.278 -1.169
44 HB2 ALA 7 1HB ALA 7 -3.935 1.537 -0.379
45 HB3 ALA 7 2HB ALA 7 -4.001 1.933 -2.098
46 H TRP 8 H TRP 8 -1.654 -2.012 -1.480
47 HA TRP 8 HA TRP 8 -1.054 -1.753 1.395
48 HD1 TRP 8 HD TRP 8 -3.677 -3.536 -1.465
49 HE1 TRP 8 1HE TRP 8 -3.315 -5.447 -3.152
50 HE3 TRP 8 3HE TRP 8 0.128 -5.991 0.901
51 HZ2 TRP 8 2HZ TRP 8 -1.619 -7.686 -3.450
52 HZ3 TRP 8 3HZ TRP 8 1.080 -7.995 -0.160
53 HH2 TRP 8 HH TRP 8 0.222 -8.824 -2.291
54 HB2 TRP 8 2HB TRP 8 -1.435 -4.203 1.609
55 HB3 TRP 8 1HB TRP 8 -2.904 -3.325 1.163
56 H ILE 9 H ILE 9 -0.247 -3.101 -1.726
57 HA ILE 9 HA ILE 9 2.055 -4.507 -1.066
58 HB ILE 9 HB ILE 9 0.983 -4.778 -3.208
59 HG12 ILE 9 2HG1 ILE 9 3.818 -3.743 -3.394
60 HG13 ILE 9 1HG1 ILE 9 3.316 -5.401 -3.076
61 HG21 ILE 9 1HG2 ILE 9 0.976 -3.141 -4.923
62 HG22 ILE 9 2HG2 ILE 9 2.020 -2.066 -3.992
63 HG23 ILE 9 3HG2 ILE 9 0.365 -2.364 -3.463
64 HD11 ILE 9 3HD1 ILE 9 3.868 -4.212 -5.555
65 HD12 ILE 9 1HD1 ILE 9 2.130 -4.510 -5.513
66 HD13 ILE 9 2HD1 ILE 9 3.260 -5.838 -5.238
67 HA PRO 10 HA PRO 10 4.295 -0.128 -2.269
68 HB2 PRO 10 2HB PRO 10 3.130 1.510 -0.238
69 HB3 PRO 10 1HB PRO 10 3.065 1.750 -1.986
70 HG2 PRO 10 2HG PRO 10 1.085 0.479 -0.172
71 HG3 PRO 10 1HG PRO 10 0.817 1.386 -1.673
72 HD2 PRO 10 2HD PRO 10 0.535 -1.251 -1.630
73 HD3 PRO 10 1HD PRO 10 1.327 -0.467 -3.014
74 H TYR 11 H TYR 11 3.037 -1.459 0.712
75 HA TYR 11 HA TYR 11 4.945 -0.659 2.551
76 HD1 TYR 11 2HD TYR 11 2.956 0.126 2.453
77 HD2 TYR 11 1HD TYR 11 1.828 -3.461 4.448
78 HE1 TYR 11 2HE TYR 11 0.917 1.226 3.267
79 HE2 TYR 11 1HE TYR 11 -0.216 -2.366 5.267
80 HH TYR 11 HH TYR 11 -0.717 0.604 5.573
81 HB2 TYR 11 2HB TYR 11 3.493 -3.302 2.323
82 HB3 TYR 11 1HB TYR 11 4.362 -2.763 3.757
83 H PHE 12 H PHE 12 4.974 -3.426 0.338
84 HA PHE 12 HA PHE 12 7.580 -4.297 1.203
85 HD1 PHE 12 1HD PHE 12 7.308 -6.438 2.059
86 HD2 PHE 12 2HD PHE 12 3.964 -6.233 -0.565
87 HE1 PHE 12 1HE PHE 12 6.013 -7.845 3.606
88 HE2 PHE 12 2HE PHE 12 2.662 -7.640 0.979
89 HZ PHE 12 HZ PHE 12 3.687 -8.446 3.068
90 HB2 PHE 12 2HB PHE 12 5.889 -5.158 -1.153
91 HB3 PHE 12 1HB PHE 12 7.376 -5.950 -0.628
92 H GLY 13 H GLY 13 6.680 -1.711 -0.611
93 HA2 GLY 13 2HA GLY 13 9.075 -1.899 -2.327
94 HA3 GLY 13 1HA GLY 13 7.636 -0.987 -2.751
95 HA PRO 14 HA PRO 14 9.563 1.643 0.779
96 HB2 PRO 14 2HB PRO 14 11.841 0.760 1.965
97 HB3 PRO 14 1HB PRO 14 10.223 0.333 2.549
98 HG2 PRO 14 2HG PRO 14 12.097 -1.251 0.829
99 HG3 PRO 14 1HG PRO 14 11.112 -1.789 2.201
100 HD2 PRO 14 2HD PRO 14 10.371 -2.209 -0.365
101 HD3 PRO 14 1HD PRO 14 9.191 -1.926 0.930
102 H ALA 15 H ALA 15 10.188 3.167 -0.663
103 HA ALA 15 HA ALA 15 12.973 3.064 -1.587
104 HB1 ALA 15 3HB ALA 15 11.857 4.416 -3.617
105 HB2 ALA 15 1HB ALA 15 10.529 3.332 -3.203
106 HB3 ALA 15 2HB ALA 15 12.106 2.670 -3.630
107 H ALA 16 H ALA 16 10.482 5.452 -2.198
108 HA ALA 16 HA ALA 16 12.109 7.429 -0.748
109 HB1 ALA 16 3HB ALA 16 10.018 8.231 -2.717
110 HB2 ALA 16 1HB ALA 16 11.561 7.607 -3.301
111 HB3 ALA 16 2HB ALA 16 11.522 9.042 -2.277
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -3.419 5.627 3.820
2 H2 GLY 1 2HT GLY 1 -3.967 5.723 5.416
3 H3 GLY 1 3HT GLY 1 -4.565 6.795 4.254
4 HA2 GLY 1 1HA GLY 1 -4.926 3.870 4.016
5 HA3 GLY 1 2HA GLY 1 -6.062 4.874 4.905
6 H ALA 2 H ALA 2 -6.870 3.384 2.729
7 HA ALA 2 HA ALA 2 -8.072 5.391 1.110
8 HB1 ALA 2 3HB ALA 2 -6.519 3.605 -0.647
9 HB2 ALA 2 1HB ALA 2 -5.594 4.827 0.226
10 HB3 ALA 2 2HB ALA 2 -6.922 5.312 -0.828
11 H ALA 3 H ALA 3 -7.194 1.966 1.351
12 HA ALA 3 HA ALA 3 -8.401 0.056 1.094
13 HB1 ALA 3 3HB ALA 3 -11.025 0.559 1.328
14 HB2 ALA 3 1HB ALA 3 -10.375 2.038 2.036
15 HB3 ALA 3 2HB ALA 3 -9.929 0.469 2.708
16 H ILE 4 H ILE 4 -7.576 0.542 -1.225
17 HA ILE 4 HA ILE 4 -9.883 0.733 -3.049
18 HB ILE 4 HB ILE 4 -6.971 1.264 -3.659
19 HG12 ILE 4 2HG1 ILE 4 -9.307 3.167 -3.364
20 HG13 ILE 4 1HG1 ILE 4 -7.962 3.001 -2.238
21 HG21 ILE 4 1HG2 ILE 4 -9.450 1.461 -5.358
22 HG22 ILE 4 2HG2 ILE 4 -8.046 0.429 -5.618
23 HG23 ILE 4 3HG2 ILE 4 -7.901 2.177 -5.798
24 HD11 ILE 4 3HD1 ILE 4 -6.585 3.531 -4.456
25 HD12 ILE 4 1HD1 ILE 4 -7.212 4.789 -3.389
26 HD13 ILE 4 2HD1 ILE 4 -8.092 4.356 -4.854
27 H GLY 5 H GLY 5 -7.424 -1.311 -1.846
28 HA2 GLY 5 2HA GLY 5 -7.669 -3.693 -2.243
29 HA3 GLY 5 1HA GLY 5 -8.106 -3.312 -3.904
30 H LEU 6 H LEU 6 -5.779 -1.202 -3.547
31 HA LEU 6 HA LEU 6 -3.548 -3.077 -3.897
32 HG LEU 6 HG LEU 6 -5.586 -2.753 -6.281
33 HB2 LEU 6 2HB LEU 6 -4.206 -0.795 -5.760
34 HB3 LEU 6 1HB LEU 6 -2.760 -1.783 -5.840
35 HD11 LEU 6 1HD1 LEU 6 -4.613 -3.189 -8.600
36 HD12 LEU 6 2HD1 LEU 6 -3.323 -2.080 -8.132
37 HD13 LEU 6 3HD1 LEU 6 -4.994 -1.520 -8.177
38 HD21 LEU 6 3HD2 LEU 6 -3.888 -4.677 -7.230
39 HD22 LEU 6 1HD2 LEU 6 -4.729 -4.732 -5.681
40 HD23 LEU 6 2HD2 LEU 6 -3.068 -4.146 -5.763
41 H ALA 7 H ALA 7 -4.553 -0.936 -1.901
42 HA ALA 7 HA ALA 7 -2.192 0.808 -1.896
43 HB1 ALA 7 3HB ALA 7 -4.758 1.493 -1.560
44 HB2 ALA 7 1HB ALA 7 -3.420 2.377 -0.829
45 HB3 ALA 7 2HB ALA 7 -4.315 1.190 0.119
46 H TRP 8 H TRP 8 -1.912 -1.939 -1.212
47 HA TRP 8 HA TRP 8 -1.143 -1.690 1.628
48 HD1 TRP 8 HD TRP 8 -3.907 -3.459 -1.138
49 HE1 TRP 8 1HE TRP 8 -3.605 -5.374 -2.832
50 HE3 TRP 8 3HE TRP 8 -0.020 -5.909 1.096
51 HZ2 TRP 8 2HZ TRP 8 -1.920 -7.615 -3.186
52 HZ3 TRP 8 3HZ TRP 8 0.896 -7.914 0.008
53 HH2 TRP 8 HH TRP 8 -0.039 -8.749 -2.090
54 HB2 TRP 8 2HB TRP 8 -1.567 -4.124 1.859
55 HB3 TRP 8 1HB TRP 8 -3.037 -3.229 1.453
56 H ILE 9 H ILE 9 -0.492 -2.989 -1.544
57 HA ILE 9 HA ILE 9 1.815 -4.448 -0.975
58 HB ILE 9 HB ILE 9 0.613 -4.711 -3.058
59 HG12 ILE 9 2HG1 ILE 9 3.477 -3.795 -3.356
60 HG13 ILE 9 1HG1 ILE 9 2.912 -5.430 -3.033
61 HG21 ILE 9 1HG2 ILE 9 0.060 -2.291 -3.328
62 HG22 ILE 9 2HG2 ILE 9 0.612 -3.088 -4.799
63 HG23 ILE 9 3HG2 ILE 9 1.708 -2.038 -3.901
64 HD11 ILE 9 3HD1 ILE 9 3.401 -4.214 -5.528
65 HD12 ILE 9 1HD1 ILE 9 1.667 -4.512 -5.411
66 HD13 ILE 9 2HD1 ILE 9 2.808 -5.842 -5.196
67 HA PRO 10 HA PRO 10 4.029 -0.109 -2.343
68 HB2 PRO 10 2HB PRO 10 3.013 1.559 -0.258
69 HB3 PRO 10 1HB PRO 10 2.855 1.790 -2.000
70 HG2 PRO 10 2HG PRO 10 0.950 0.592 -0.070
71 HG3 PRO 10 1HG PRO 10 0.626 1.462 -1.582
72 HD2 PRO 10 2HD PRO 10 0.305 -1.173 -1.431
73 HD3 PRO 10 1HD PRO 10 0.997 -0.434 -2.890
74 H TYR 11 H TYR 11 3.000 -1.491 0.687
75 HA TYR 11 HA TYR 11 5.081 -0.639 2.354
76 HD1 TYR 11 1HD TYR 11 1.788 -0.906 1.858
77 HD2 TYR 11 2HD TYR 11 3.663 -1.864 5.556
78 HE1 TYR 11 1HE TYR 11 0.126 0.455 3.046
79 HE2 TYR 11 2HE TYR 11 2.001 -0.506 6.754
80 HH TYR 11 HH TYR 11 0.071 1.725 5.322
81 HB2 TYR 11 2HB TYR 11 3.354 -3.112 2.371
82 HB3 TYR 11 1HB TYR 11 4.527 -2.770 3.638
83 H PHE 12 H PHE 12 4.820 -3.339 0.107
84 HA PHE 12 HA PHE 12 7.336 -4.496 0.859
85 HD1 PHE 12 1HD PHE 12 3.829 -4.793 0.459
86 HD2 PHE 12 2HD PHE 12 6.686 -7.902 -0.065
87 HE1 PHE 12 1HE PHE 12 2.461 -6.279 1.858
88 HE2 PHE 12 2HE PHE 12 5.320 -9.397 1.330
89 HZ PHE 12 HZ PHE 12 3.203 -8.585 2.294
90 HB2 PHE 12 2HB PHE 12 5.581 -4.976 -1.561
91 HB3 PHE 12 1HB PHE 12 7.013 -5.923 -1.154
92 H GLY 13 H GLY 13 6.256 -2.105 -1.424
93 HA2 GLY 13 2HA GLY 13 8.988 -1.979 -2.544
94 HA3 GLY 13 1HA GLY 13 7.544 -1.486 -3.413
95 HA PRO 14 HA PRO 14 8.658 1.891 -0.080
96 HB2 PRO 14 2HB PRO 14 11.321 2.092 0.413
97 HB3 PRO 14 1HB PRO 14 10.231 1.099 1.394
98 HG2 PRO 14 2HG PRO 14 12.074 0.275 -0.820
99 HG3 PRO 14 1HG PRO 14 11.782 -0.509 0.744
100 HD2 PRO 14 2HD PRO 14 10.644 -1.379 -1.552
101 HD3 PRO 14 1HD PRO 14 9.834 -1.510 0.023
102 H ALA 15 H ALA 15 9.910 3.983 -0.356
103 HA ALA 15 HA ALA 15 10.516 4.362 -3.214
104 HB1 ALA 15 3HB ALA 15 10.029 6.837 -2.554
105 HB2 ALA 15 1HB ALA 15 9.202 6.106 -1.179
106 HB3 ALA 15 2HB ALA 15 8.694 5.716 -2.822
107 H ALA 16 H ALA 16 12.410 5.263 -3.837
108 HA ALA 16 HA ALA 16 14.224 6.244 -1.736
109 HB1 ALA 16 3HB ALA 16 14.649 4.052 -3.671
110 HB2 ALA 16 1HB ALA 16 15.308 4.283 -2.050
111 HB3 ALA 16 2HB ALA 16 16.003 5.154 -3.419
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -7.432 5.089 -10.638
2 H2 GLY 1 2HT GLY 1 -8.092 5.367 -9.105
3 H3 GLY 1 3HT GLY 1 -7.071 4.043 -9.358
4 HA2 GLY 1 1HA GLY 1 -5.174 5.372 -9.589
5 HA3 GLY 1 2HA GLY 1 -6.150 6.820 -9.774
6 H ALA 2 H ALA 2 -4.190 5.228 -7.698
7 HA ALA 2 HA ALA 2 -3.717 5.412 -5.479
8 HB1 ALA 2 3HB ALA 2 -4.269 7.905 -6.295
9 HB2 ALA 2 1HB ALA 2 -3.823 7.508 -4.633
10 HB3 ALA 2 2HB ALA 2 -5.520 7.715 -5.066
11 H ALA 3 H ALA 3 -6.141 3.928 -6.399
12 HA ALA 3 HA ALA 3 -7.099 3.106 -3.896
13 HB1 ALA 3 3HB ALA 3 -9.448 4.288 -5.168
14 HB2 ALA 3 1HB ALA 3 -8.274 5.478 -4.602
15 HB3 ALA 3 2HB ALA 3 -8.946 4.298 -3.476
16 H ILE 4 H ILE 4 -6.145 1.928 -6.296
17 HA ILE 4 HA ILE 4 -8.387 0.763 -7.666
18 HB ILE 4 HB ILE 4 -6.649 -0.474 -8.897
19 HG12 ILE 4 2HG1 ILE 4 -4.729 1.092 -7.175
20 HG13 ILE 4 1HG1 ILE 4 -4.981 -0.648 -7.109
21 HG21 ILE 4 1HG2 ILE 4 -6.245 1.267 -10.284
22 HG22 ILE 4 2HG2 ILE 4 -5.686 2.311 -8.977
23 HG23 ILE 4 3HG2 ILE 4 -7.413 2.055 -9.223
24 HD11 ILE 4 3HD1 ILE 4 -3.232 0.858 -8.776
25 HD12 ILE 4 1HD1 ILE 4 -4.381 -0.023 -9.781
26 HD13 ILE 4 2HD1 ILE 4 -3.384 -0.892 -8.614
27 H GLY 5 H GLY 5 -7.279 0.202 -4.686
28 HA2 GLY 5 2HA GLY 5 -8.122 -1.656 -3.429
29 HA3 GLY 5 1HA GLY 5 -7.943 -2.658 -4.859
30 H LEU 6 H LEU 6 -5.195 -1.119 -5.076
31 HA LEU 6 HA LEU 6 -3.781 -3.037 -3.357
32 HG LEU 6 HG LEU 6 -3.279 -4.575 -5.344
33 HB2 LEU 6 2HB LEU 6 -2.893 -1.626 -5.871
34 HB3 LEU 6 1HB LEU 6 -1.845 -2.628 -4.887
35 HD11 LEU 6 1HD1 LEU 6 -4.824 -4.040 -7.464
36 HD12 LEU 6 2HD1 LEU 6 -4.958 -2.505 -6.606
37 HD13 LEU 6 3HD1 LEU 6 -5.414 -4.007 -5.802
38 HD21 LEU 6 3HD2 LEU 6 -2.825 -4.616 -7.875
39 HD22 LEU 6 1HD2 LEU 6 -1.453 -4.446 -6.780
40 HD23 LEU 6 2HD2 LEU 6 -2.091 -3.032 -7.620
41 H ALA 7 H ALA 7 -4.464 -1.208 -1.755
42 HA ALA 7 HA ALA 7 -2.430 0.911 -1.708
43 HB1 ALA 7 3HB ALA 7 -4.914 0.655 -0.025
44 HB2 ALA 7 1HB ALA 7 -4.799 1.586 -1.519
45 HB3 ALA 7 2HB ALA 7 -3.835 2.047 -0.115
46 H TRP 8 H TRP 8 -1.983 -1.931 -1.008
47 HA TRP 8 HA TRP 8 -1.005 -1.523 1.745
48 HD1 TRP 8 HD TRP 8 -4.016 -3.390 -0.638
49 HE1 TRP 8 1HE TRP 8 -3.909 -5.385 -2.259
50 HE3 TRP 8 3HE TRP 8 0.036 -5.806 1.323
51 HZ2 TRP 8 2HZ TRP 8 -2.298 -7.672 -2.668
52 HZ3 TRP 8 3HZ TRP 8 0.812 -7.876 0.250
53 HH2 TRP 8 HH TRP 8 -0.334 -8.789 -1.705
54 HB2 TRP 8 2HB TRP 8 -1.400 -3.950 2.143
55 HB3 TRP 8 1HB TRP 8 -2.898 -3.060 1.844
56 H ILE 9 H ILE 9 -0.656 -3.120 -1.354
57 HA ILE 9 HA ILE 9 1.663 -4.554 -0.948
58 HB ILE 9 HB ILE 9 0.367 -4.834 -2.950
59 HG12 ILE 9 2HG1 ILE 9 3.175 -3.859 -3.498
60 HG13 ILE 9 1HG1 ILE 9 2.689 -5.500 -3.084
61 HG21 ILE 9 1HG2 ILE 9 1.356 -2.172 -3.930
62 HG22 ILE 9 2HG2 ILE 9 -0.218 -2.397 -3.164
63 HG23 ILE 9 3HG2 ILE 9 0.158 -3.232 -4.671
64 HD11 ILE 9 3HD1 ILE 9 1.242 -4.620 -5.386
65 HD12 ILE 9 1HD1 ILE 9 2.346 -5.984 -5.208
66 HD13 ILE 9 2HD1 ILE 9 2.974 -4.392 -5.633
67 HA PRO 10 HA PRO 10 3.963 -0.318 -2.466
68 HB2 PRO 10 2HB PRO 10 3.062 1.461 -0.438
69 HB3 PRO 10 1HB PRO 10 2.809 1.609 -2.178
70 HG2 PRO 10 2HG PRO 10 1.016 0.477 -0.089
71 HG3 PRO 10 1HG PRO 10 0.598 1.365 -1.569
72 HD2 PRO 10 2HD PRO 10 0.222 -1.246 -1.451
73 HD3 PRO 10 1HD PRO 10 0.910 -0.527 -2.922
74 H TYR 11 H TYR 11 2.898 -1.484 0.657
75 HA TYR 11 HA TYR 11 4.896 -0.689 2.358
76 HD1 TYR 11 2HD TYR 11 2.872 0.012 2.372
77 HD2 TYR 11 1HD TYR 11 2.016 -3.617 4.426
78 HE1 TYR 11 2HE TYR 11 0.839 1.027 3.308
79 HE2 TYR 11 1HE TYR 11 -0.019 -2.608 5.368
80 HH TYR 11 HH TYR 11 -1.359 0.247 4.216
81 HB2 TYR 11 2HB TYR 11 3.542 -3.389 2.200
82 HB3 TYR 11 1HB TYR 11 4.471 -2.818 3.583
83 H PHE 12 H PHE 12 4.909 -3.455 0.140
84 HA PHE 12 HA PHE 12 7.568 -4.261 0.846
85 HD1 PHE 12 1HD PHE 12 7.381 -6.451 1.573
86 HD2 PHE 12 2HD PHE 12 3.970 -6.209 -0.959
87 HE1 PHE 12 1HE PHE 12 6.175 -7.999 3.057
88 HE2 PHE 12 2HE PHE 12 2.757 -7.754 0.520
89 HZ PHE 12 HZ PHE 12 3.859 -8.652 2.533
90 HB2 PHE 12 2HB PHE 12 5.839 -5.025 -1.518
91 HB3 PHE 12 1HB PHE 12 7.364 -5.802 -1.085
92 H GLY 13 H GLY 13 6.158 -2.104 -1.495
93 HA2 GLY 13 2HA GLY 13 8.380 -1.966 -3.261
94 HA3 GLY 13 1HA GLY 13 7.081 -0.792 -3.142
95 HA PRO 14 HA PRO 14 10.335 1.941 -1.758
96 HB2 PRO 14 2HB PRO 14 8.665 3.931 -0.825
97 HB3 PRO 14 1HB PRO 14 9.176 3.751 -2.509
98 HG2 PRO 14 2HG PRO 14 6.625 2.913 -1.200
99 HG3 PRO 14 1HG PRO 14 6.887 3.616 -2.807
100 HD2 PRO 14 2HD PRO 14 6.431 0.987 -2.462
101 HD3 PRO 14 1HD PRO 14 7.518 1.592 -3.729
102 H ALA 15 H ALA 15 7.468 2.124 0.363
103 HA ALA 15 HA ALA 15 7.231 1.973 2.619
104 HB1 ALA 15 3HB ALA 15 9.304 0.392 3.535
105 HB2 ALA 15 1HB ALA 15 9.067 -0.145 1.873
106 HB3 ALA 15 2HB ALA 15 7.717 -0.166 3.007
107 H ALA 16 H ALA 16 7.888 4.272 2.596
108 HA ALA 16 HA ALA 16 10.570 4.772 3.661
109 HB1 ALA 16 3HB ALA 16 9.248 6.107 1.754
110 HB2 ALA 16 1HB ALA 16 10.446 6.863 2.802
111 HB3 ALA 16 2HB ALA 16 8.728 7.030 3.163
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -7.354 -10.240 -1.725
2 H2 GLY 1 2HT GLY 1 -8.274 -11.267 -0.747
3 H3 GLY 1 3HT GLY 1 -7.659 -9.824 -0.114
4 HA2 GLY 1 1HA GLY 1 -10.028 -10.289 -1.703
5 HA3 GLY 1 2HA GLY 1 -9.694 -9.022 -0.532
6 H ALA 2 H ALA 2 -11.017 -8.325 -2.768
7 HA ALA 2 HA ALA 2 -8.985 -6.835 -4.292
8 HB1 ALA 2 3HB ALA 2 -10.055 -8.740 -5.570
9 HB2 ALA 2 1HB ALA 2 -10.155 -7.147 -6.320
10 HB3 ALA 2 2HB ALA 2 -11.558 -7.822 -5.495
11 H ALA 3 H ALA 3 -10.408 -5.977 -1.952
12 HA ALA 3 HA ALA 3 -11.712 -3.620 -3.086
13 HB1 ALA 3 3HB ALA 3 -13.380 -3.959 -1.037
14 HB2 ALA 3 1HB ALA 3 -13.023 -5.653 -1.378
15 HB3 ALA 3 2HB ALA 3 -13.699 -4.623 -2.640
16 H ILE 4 H ILE 4 -9.133 -3.997 -1.898
17 HA ILE 4 HA ILE 4 -9.409 -2.642 0.692
18 HB ILE 4 HB ILE 4 -8.026 -4.654 0.729
19 HG12 ILE 4 2HG1 ILE 4 -6.407 -2.114 1.021
20 HG13 ILE 4 1HG1 ILE 4 -7.456 -2.815 2.249
21 HG21 ILE 4 1HG2 ILE 4 -7.163 -3.791 -1.771
22 HG22 ILE 4 2HG2 ILE 4 -6.581 -5.192 -0.871
23 HG23 ILE 4 3HG2 ILE 4 -5.748 -3.643 -0.730
24 HD11 ILE 4 3HD1 ILE 4 -5.933 -4.893 1.999
25 HD12 ILE 4 1HD1 ILE 4 -5.366 -3.501 2.922
26 HD13 ILE 4 2HD1 ILE 4 -4.802 -3.752 1.270
27 H GLY 5 H GLY 5 -8.479 -2.143 -2.572
28 HA2 GLY 5 2HA GLY 5 -8.327 0.114 -3.398
29 HA3 GLY 5 1HA GLY 5 -7.600 0.577 -1.867
30 H LEU 6 H LEU 6 -6.407 -2.372 -3.046
31 HA LEU 6 HA LEU 6 -4.298 -2.976 -3.670
32 HG LEU 6 HG LEU 6 -5.222 -3.748 -5.935
33 HB2 LEU 6 2HB LEU 6 -4.848 -0.767 -5.645
34 HB3 LEU 6 1HB LEU 6 -3.545 -1.931 -5.799
35 HD11 LEU 6 1HD1 LEU 6 -7.108 -3.013 -4.805
36 HD12 LEU 6 2HD1 LEU 6 -7.593 -2.907 -6.498
37 HD13 LEU 6 3HD1 LEU 6 -7.113 -1.452 -5.625
38 HD21 LEU 6 3HD2 LEU 6 -4.392 -2.943 -7.999
39 HD22 LEU 6 1HD2 LEU 6 -5.390 -1.491 -7.915
40 HD23 LEU 6 2HD2 LEU 6 -6.143 -3.064 -8.181
41 H ALA 7 H ALA 7 -4.451 -0.921 -1.586
42 HA ALA 7 HA ALA 7 -1.919 0.502 -2.082
43 HB1 ALA 7 3HB ALA 7 -4.099 1.182 -0.114
44 HB2 ALA 7 1HB ALA 7 -3.824 1.978 -1.664
45 HB3 ALA 7 2HB ALA 7 -2.616 2.098 -0.383
46 H TRP 8 H TRP 8 -1.898 -2.201 -1.337
47 HA TRP 8 HA TRP 8 -0.992 -2.090 1.465
48 HD1 TRP 8 HD TRP 8 -3.495 -3.679 -1.582
49 HE1 TRP 8 1HE TRP 8 -3.118 -5.508 -3.356
50 HE3 TRP 8 3HE TRP 8 0.168 -6.346 0.774
51 HZ2 TRP 8 2HZ TRP 8 -1.466 -7.771 -3.715
52 HZ3 TRP 8 3HZ TRP 8 1.109 -8.317 -0.356
53 HH2 TRP 8 HH TRP 8 0.306 -9.016 -2.555
54 HB2 TRP 8 2HB TRP 8 -1.309 -4.541 1.501
55 HB3 TRP 8 1HB TRP 8 -2.812 -3.691 1.120
56 H ILE 9 H ILE 9 -0.203 -3.105 -1.799
57 HA ILE 9 HA ILE 9 2.198 -4.423 -1.180
58 HB ILE 9 HB ILE 9 1.161 -4.853 -3.280
59 HG12 ILE 9 2HG1 ILE 9 3.692 -4.873 -2.996
60 HG13 ILE 9 1HG1 ILE 9 3.080 -4.904 -4.649
61 HG21 ILE 9 1HG2 ILE 9 1.732 -2.003 -4.071
62 HG22 ILE 9 2HG2 ILE 9 0.151 -2.636 -3.624
63 HG23 ILE 9 3HG2 ILE 9 0.969 -3.243 -5.061
64 HD11 ILE 9 3HD1 ILE 9 4.936 -3.134 -3.470
65 HD12 ILE 9 1HD1 ILE 9 3.502 -2.195 -3.874
66 HD13 ILE 9 2HD1 ILE 9 4.320 -3.132 -5.121
67 HA PRO 10 HA PRO 10 4.107 0.075 -2.424
68 HB2 PRO 10 2HB PRO 10 2.862 1.646 -0.390
69 HB3 PRO 10 1HB PRO 10 2.751 1.866 -2.137
70 HG2 PRO 10 2HG PRO 10 0.887 0.494 -0.282
71 HG3 PRO 10 1HG PRO 10 0.543 1.348 -1.794
72 HD2 PRO 10 2HD PRO 10 0.445 -1.304 -1.682
73 HD3 PRO 10 1HD PRO 10 1.131 -0.499 -3.107
74 H TYR 11 H TYR 11 2.960 -1.294 0.577
75 HA TYR 11 HA TYR 11 5.003 -0.373 2.279
76 HD1 TYR 11 1HD TYR 11 4.044 0.367 4.188
77 HD2 TYR 11 2HD TYR 11 1.004 -2.236 2.756
78 HE1 TYR 11 1HE TYR 11 2.331 1.887 5.083
79 HE2 TYR 11 2HE TYR 11 -0.719 -0.726 3.642
80 HH TYR 11 HH TYR 11 -0.796 1.055 5.563
81 HB2 TYR 11 2HB TYR 11 3.215 -2.803 2.383
82 HB3 TYR 11 1HB TYR 11 4.296 -2.334 3.697
83 H PHE 12 H PHE 12 4.591 -3.486 0.591
84 HA PHE 12 HA PHE 12 7.109 -4.521 1.350
85 HD1 PHE 12 1HD PHE 12 6.607 -6.599 2.236
86 HD2 PHE 12 2HD PHE 12 3.307 -6.075 -0.398
87 HE1 PHE 12 1HE PHE 12 5.164 -7.823 3.809
88 HE2 PHE 12 2HE PHE 12 1.857 -7.298 1.171
89 HZ PHE 12 HZ PHE 12 2.785 -8.173 3.278
90 HB2 PHE 12 2HB PHE 12 5.342 -5.233 -1.002
91 HB3 PHE 12 1HB PHE 12 6.730 -6.178 -0.459
92 H GLY 13 H GLY 13 6.251 -2.107 -0.896
93 HA2 GLY 13 2HA GLY 13 7.986 -0.748 -1.853
94 HA3 GLY 13 1HA GLY 13 8.991 -2.182 -1.972
95 HA PRO 14 HA PRO 14 5.600 -1.710 -5.610
96 HB2 PRO 14 2HB PRO 14 6.902 0.867 -6.354
97 HB3 PRO 14 1HB PRO 14 5.211 0.367 -6.522
98 HG2 PRO 14 2HG PRO 14 5.938 2.060 -4.602
99 HG3 PRO 14 1HG PRO 14 4.726 0.802 -4.295
100 HD2 PRO 14 2HD PRO 14 7.591 0.918 -3.466
101 HD3 PRO 14 1HD PRO 14 6.190 0.262 -2.597
102 H ALA 15 H ALA 15 6.174 -2.282 -7.731
103 HA ALA 15 HA ALA 15 9.057 -2.706 -8.117
104 HB1 ALA 15 3HB ALA 15 7.153 -4.122 -9.865
105 HB2 ALA 15 1HB ALA 15 7.105 -4.559 -8.156
106 HB3 ALA 15 2HB ALA 15 8.611 -4.705 -9.063
107 H ALA 16 H ALA 16 9.430 -3.036 -10.677
108 HA ALA 16 HA ALA 16 8.449 -0.554 -11.932
109 HB1 ALA 16 3HB ALA 16 10.521 -0.068 -12.684
110 HB2 ALA 16 1HB ALA 16 10.939 -1.760 -12.954
111 HB3 ALA 16 2HB ALA 16 11.017 -1.081 -11.328
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -7.224 -3.151 2.077
2 H2 GLY 1 2HT GLY 1 -6.706 -3.941 0.672
3 H3 GLY 1 3HT GLY 1 -8.186 -3.121 0.686
4 HA2 GLY 1 1HA GLY 1 -5.456 -1.991 0.701
5 HA3 GLY 1 2HA GLY 1 -6.749 -1.692 -0.450
6 H ALA 2 H ALA 2 -8.729 -1.477 1.771
7 HA ALA 2 HA ALA 2 -9.693 0.155 3.029
8 HB1 ALA 2 3HB ALA 2 -7.829 1.698 4.185
9 HB2 ALA 2 1HB ALA 2 -6.834 0.310 3.746
10 HB3 ALA 2 2HB ALA 2 -8.253 0.090 4.770
11 H ALA 3 H ALA 3 -9.068 0.636 0.206
12 HA ALA 3 HA ALA 3 -9.867 3.324 0.023
13 HB1 ALA 3 3HB ALA 3 -7.768 4.134 0.542
14 HB2 ALA 3 1HB ALA 3 -7.703 4.066 -1.219
15 HB3 ALA 3 2HB ALA 3 -6.938 2.799 -0.259
16 H ILE 4 H ILE 4 -7.563 1.479 -1.970
17 HA ILE 4 HA ILE 4 -9.596 1.428 -4.102
18 HB ILE 4 HB ILE 4 -7.718 2.841 -4.715
19 HG12 ILE 4 2HG1 ILE 4 -7.626 0.193 -6.178
20 HG13 ILE 4 1HG1 ILE 4 -8.780 1.490 -6.480
21 HG21 ILE 4 1HG2 ILE 4 -6.197 0.947 -3.311
22 HG22 ILE 4 2HG2 ILE 4 -5.626 2.409 -4.116
23 HG23 ILE 4 3HG2 ILE 4 -5.646 0.875 -4.985
24 HD11 ILE 4 3HD1 ILE 4 -6.640 1.179 -7.963
25 HD12 ILE 4 1HD1 ILE 4 -5.881 2.102 -6.667
26 HD13 ILE 4 2HD1 ILE 4 -7.244 2.785 -7.555
27 H GLY 5 H GLY 5 -7.666 -0.454 -2.025
28 HA2 GLY 5 2HA GLY 5 -8.038 -2.792 -1.775
29 HA3 GLY 5 1HA GLY 5 -8.483 -2.872 -3.472
30 H LEU 6 H LEU 6 -5.929 -0.995 -3.696
31 HA LEU 6 HA LEU 6 -3.977 -3.199 -3.659
32 HG LEU 6 HG LEU 6 -4.621 -4.073 -5.993
33 HB2 LEU 6 2HB LEU 6 -4.288 -1.078 -5.785
34 HB3 LEU 6 1HB LEU 6 -2.975 -2.237 -5.708
35 HD11 LEU 6 1HD1 LEU 6 -6.829 -2.910 -7.089
36 HD12 LEU 6 2HD1 LEU 6 -6.490 -1.841 -5.728
37 HD13 LEU 6 3HD1 LEU 6 -6.731 -3.568 -5.456
38 HD21 LEU 6 3HD2 LEU 6 -3.462 -2.551 -7.874
39 HD22 LEU 6 1HD2 LEU 6 -5.158 -2.311 -8.295
40 HD23 LEU 6 2HD2 LEU 6 -4.485 -3.941 -8.242
41 H ALA 7 H ALA 7 -4.664 -0.686 -1.967
42 HA ALA 7 HA ALA 7 -2.108 0.722 -2.123
43 HB1 ALA 7 3HB ALA 7 -3.294 2.050 -0.196
44 HB2 ALA 7 1HB ALA 7 -4.741 1.289 -0.857
45 HB3 ALA 7 2HB ALA 7 -3.736 2.312 -1.883
46 H TRP 8 H TRP 8 -1.908 -1.922 -1.300
47 HA TRP 8 HA TRP 8 -1.146 -1.607 1.537
48 HD1 TRP 8 HD TRP 8 -3.936 -3.450 -1.188
49 HE1 TRP 8 1HE TRP 8 -3.614 -5.390 -2.849
50 HE3 TRP 8 3HE TRP 8 0.004 -5.797 1.065
51 HZ2 TRP 8 2HZ TRP 8 -1.894 -7.608 -3.175
52 HZ3 TRP 8 3HZ TRP 8 0.947 -7.805 0.005
53 HH2 TRP 8 HH TRP 8 0.014 -8.692 -2.071
54 HB2 TRP 8 2HB TRP 8 -1.593 -4.032 1.818
55 HB3 TRP 8 1HB TRP 8 -3.052 -3.137 1.376
56 H ILE 9 H ILE 9 -0.488 -2.994 -1.596
57 HA ILE 9 HA ILE 9 1.779 -4.483 -1.017
58 HB ILE 9 HB ILE 9 0.627 -4.689 -3.127
59 HG12 ILE 9 2HG1 ILE 9 3.500 -3.783 -3.395
60 HG13 ILE 9 1HG1 ILE 9 2.933 -5.418 -3.067
61 HG21 ILE 9 1HG2 ILE 9 0.109 -2.252 -3.352
62 HG22 ILE 9 2HG2 ILE 9 0.656 -3.037 -4.833
63 HG23 ILE 9 3HG2 ILE 9 1.763 -2.017 -3.915
64 HD11 ILE 9 3HD1 ILE 9 2.792 -5.842 -5.227
65 HD12 ILE 9 1HD1 ILE 9 3.457 -4.242 -5.558
66 HD13 ILE 9 2HD1 ILE 9 1.709 -4.468 -5.459
67 HA PRO 10 HA PRO 10 4.132 -0.170 -2.262
68 HB2 PRO 10 2HB PRO 10 3.096 1.447 -0.133
69 HB3 PRO 10 1HB PRO 10 3.017 1.755 -1.867
70 HG2 PRO 10 2HG PRO 10 0.996 0.552 -0.069
71 HG3 PRO 10 1HG PRO 10 0.766 1.465 -1.572
72 HD2 PRO 10 2HD PRO 10 0.368 -1.165 -1.497
73 HD3 PRO 10 1HD PRO 10 1.141 -0.411 -2.907
74 H TYR 11 H TYR 11 2.975 -1.510 0.765
75 HA TYR 11 HA TYR 11 4.982 -0.791 2.521
76 HD1 TYR 11 2HD TYR 11 2.994 0.013 2.520
77 HD2 TYR 11 1HD TYR 11 1.927 -3.591 4.519
78 HE1 TYR 11 2HE TYR 11 1.001 1.118 3.439
79 HE2 TYR 11 1HE TYR 11 -0.067 -2.492 5.444
80 HH TYR 11 HH TYR 11 -1.507 -0.618 5.007
81 HB2 TYR 11 2HB TYR 11 3.496 -3.417 2.324
82 HB3 TYR 11 1HB TYR 11 4.434 -2.901 3.722
83 H PHE 12 H PHE 12 4.952 -3.295 0.055
84 HA PHE 12 HA PHE 12 7.518 -4.357 0.849
85 HD1 PHE 12 1HD PHE 12 4.030 -4.820 0.384
86 HD2 PHE 12 2HD PHE 12 7.036 -7.789 -0.126
87 HE1 PHE 12 1HE PHE 12 2.703 -6.388 1.733
88 HE2 PHE 12 2HE PHE 12 5.710 -9.365 1.220
89 HZ PHE 12 HZ PHE 12 3.541 -8.666 2.150
90 HB2 PHE 12 2HB PHE 12 5.829 -4.899 -1.606
91 HB3 PHE 12 1HB PHE 12 7.298 -5.777 -1.171
92 H GLY 13 H GLY 13 6.253 -2.136 -1.554
93 HA2 GLY 13 2HA GLY 13 7.465 -0.420 -2.584
94 HA3 GLY 13 1HA GLY 13 8.957 -1.192 -2.068
95 HA PRO 14 HA PRO 14 7.487 -3.443 -6.110
96 HB2 PRO 14 2HB PRO 14 5.725 -2.069 -7.651
97 HB3 PRO 14 1HB PRO 14 5.217 -3.226 -6.410
98 HG2 PRO 14 2HG PRO 14 5.358 -0.238 -6.271
99 HG3 PRO 14 1HG PRO 14 4.085 -1.326 -5.687
100 HD2 PRO 14 2HD PRO 14 5.950 -0.252 -4.044
101 HD3 PRO 14 1HD PRO 14 5.245 -1.858 -3.767
102 H ALA 15 H ALA 15 8.299 -3.153 -8.252
103 HA ALA 15 HA ALA 15 9.780 -0.632 -8.590
104 HB1 ALA 15 3HB ALA 15 11.553 -1.780 -9.441
105 HB2 ALA 15 1HB ALA 15 10.543 -3.054 -10.125
106 HB3 ALA 15 2HB ALA 15 10.888 -3.034 -8.396
107 H ALA 16 H ALA 16 9.794 0.416 -10.569
108 HA ALA 16 HA ALA 16 7.655 -0.408 -12.415
109 HB1 ALA 16 3HB ALA 16 7.209 1.740 -11.475
110 HB2 ALA 16 1HB ALA 16 7.689 1.978 -13.155
111 HB3 ALA 16 2HB ALA 16 8.835 2.306 -11.855
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -11.120 -5.410 -0.819
2 H2 GLY 1 2HT GLY 1 -12.693 -4.819 -1.010
3 H3 GLY 1 3HT GLY 1 -11.927 -4.710 0.493
4 HA2 GLY 1 1HA GLY 1 -10.182 -3.304 -0.680
5 HA3 GLY 1 2HA GLY 1 -11.364 -3.182 -1.973
6 H ALA 2 H ALA 2 -10.174 -1.563 0.562
7 HA ALA 2 HA ALA 2 -12.743 -0.216 1.099
8 HB1 ALA 2 3HB ALA 2 -11.776 -1.487 3.044
9 HB2 ALA 2 1HB ALA 2 -12.078 0.226 3.334
10 HB3 ALA 2 2HB ALA 2 -10.436 -0.341 3.029
11 H ALA 3 H ALA 3 -9.232 0.189 0.812
12 HA ALA 3 HA ALA 3 -9.453 3.070 0.724
13 HB1 ALA 3 3HB ALA 3 -7.484 2.453 1.750
14 HB2 ALA 3 1HB ALA 3 -6.934 2.790 0.107
15 HB3 ALA 3 2HB ALA 3 -7.191 1.124 0.627
16 H ILE 4 H ILE 4 -7.522 1.150 -1.532
17 HA ILE 4 HA ILE 4 -8.997 2.397 -3.754
18 HB ILE 4 HB ILE 4 -6.868 3.554 -3.472
19 HG12 ILE 4 2HG1 ILE 4 -6.881 1.732 -5.891
20 HG13 ILE 4 1HG1 ILE 4 -7.753 3.254 -5.748
21 HG21 ILE 4 1HG2 ILE 4 -5.854 1.236 -2.589
22 HG22 ILE 4 2HG2 ILE 4 -4.858 2.561 -3.190
23 HG23 ILE 4 3HG2 ILE 4 -5.255 1.206 -4.248
24 HD11 ILE 4 3HD1 ILE 4 -5.240 4.066 -5.200
25 HD12 ILE 4 1HD1 ILE 4 -5.960 4.075 -6.810
26 HD13 ILE 4 2HD1 ILE 4 -4.923 2.737 -6.317
27 H GLY 5 H GLY 5 -7.657 -0.450 -2.402
28 HA2 GLY 5 2HA GLY 5 -8.485 -2.573 -3.217
29 HA3 GLY 5 1HA GLY 5 -8.403 -1.919 -4.846
30 H LEU 6 H LEU 6 -5.684 -0.745 -3.688
31 HA LEU 6 HA LEU 6 -4.056 -3.130 -3.622
32 HG LEU 6 HG LEU 6 -1.587 -2.101 -5.305
33 HB2 LEU 6 2HB LEU 6 -4.441 -2.775 -6.038
34 HB3 LEU 6 1HB LEU 6 -3.777 -1.160 -5.896
35 HD11 LEU 6 1HD1 LEU 6 -1.230 -4.538 -5.567
36 HD12 LEU 6 2HD1 LEU 6 -2.978 -4.746 -5.668
37 HD13 LEU 6 3HD1 LEU 6 -2.250 -4.121 -4.190
38 HD21 LEU 6 3HD2 LEU 6 -2.653 -1.919 -7.757
39 HD22 LEU 6 1HD2 LEU 6 -2.272 -3.639 -7.727
40 HD23 LEU 6 2HD2 LEU 6 -0.998 -2.450 -7.458
41 H ALA 7 H ALA 7 -4.637 -0.820 -1.922
42 HA ALA 7 HA ALA 7 -2.101 0.641 -1.922
43 HB1 ALA 7 3HB ALA 7 -3.686 2.234 -1.607
44 HB2 ALA 7 1HB ALA 7 -3.414 1.792 0.077
45 HB3 ALA 7 2HB ALA 7 -4.796 1.131 -0.796
46 H TRP 8 H TRP 8 -1.832 -2.017 -1.275
47 HA TRP 8 HA TRP 8 -1.214 -1.884 1.609
48 HD1 TRP 8 HD TRP 8 -3.755 -3.542 -1.402
49 HE1 TRP 8 1HE TRP 8 -3.362 -5.413 -3.126
50 HE3 TRP 8 3HE TRP 8 -0.076 -6.121 1.029
51 HZ2 TRP 8 2HZ TRP 8 -1.691 -7.671 -3.426
52 HZ3 TRP 8 3HZ TRP 8 0.883 -8.110 -0.050
53 HH2 TRP 8 HH TRP 8 0.089 -8.870 -2.233
54 HB2 TRP 8 2HB TRP 8 -1.618 -4.325 1.724
55 HB3 TRP 8 1HB TRP 8 -3.076 -3.434 1.271
56 H ILE 9 H ILE 9 -0.360 -2.984 -1.582
57 HA ILE 9 HA ILE 9 1.976 -4.398 -0.890
58 HB ILE 9 HB ILE 9 0.814 -4.761 -2.992
59 HG12 ILE 9 2HG1 ILE 9 3.671 -3.802 -3.209
60 HG13 ILE 9 1HG1 ILE 9 3.114 -5.440 -2.886
61 HG21 ILE 9 1HG2 ILE 9 1.911 -2.135 -3.956
62 HG22 ILE 9 2HG2 ILE 9 0.278 -2.305 -3.314
63 HG23 ILE 9 3HG2 ILE 9 0.756 -3.200 -4.755
64 HD11 ILE 9 3HD1 ILE 9 1.948 -4.585 -5.321
65 HD12 ILE 9 1HD1 ILE 9 3.108 -5.886 -5.043
66 HD13 ILE 9 2HD1 ILE 9 3.680 -4.250 -5.377
67 HA PRO 10 HA PRO 10 3.930 0.072 -2.330
68 HB2 PRO 10 2HB PRO 10 2.944 1.593 -0.113
69 HB3 PRO 10 1HB PRO 10 2.682 1.894 -1.831
70 HG2 PRO 10 2HG PRO 10 0.955 0.480 0.127
71 HG3 PRO 10 1HG PRO 10 0.497 1.417 -1.302
72 HD2 PRO 10 2HD PRO 10 0.319 -1.218 -1.334
73 HD3 PRO 10 1HD PRO 10 0.950 -0.364 -2.758
74 H TYR 11 H TYR 11 3.094 -1.315 0.777
75 HA TYR 11 HA TYR 11 5.342 -0.473 2.233
76 HD1 TYR 11 1HD TYR 11 4.607 0.231 4.275
77 HD2 TYR 11 2HD TYR 11 1.402 -2.292 3.085
78 HE1 TYR 11 1HE TYR 11 3.014 1.755 5.365
79 HE2 TYR 11 2HE TYR 11 -0.204 -0.780 4.169
80 HH TYR 11 HH TYR 11 0.490 1.349 6.395
81 HB2 TYR 11 2HB TYR 11 3.556 -2.890 2.504
82 HB3 TYR 11 1HB TYR 11 4.781 -2.442 3.694
83 H PHE 12 H PHE 12 4.704 -3.465 0.420
84 HA PHE 12 HA PHE 12 7.168 -4.707 0.895
85 HD1 PHE 12 2HD PHE 12 5.390 -5.214 1.952
86 HD2 PHE 12 1HD PHE 12 4.329 -7.377 -1.560
87 HE1 PHE 12 2HE PHE 12 3.830 -6.584 3.270
88 HE2 PHE 12 1HE PHE 12 2.769 -8.751 -0.244
89 HZ PHE 12 HZ PHE 12 2.519 -8.355 2.174
90 HB2 PHE 12 2HB PHE 12 5.358 -4.922 -1.522
91 HB3 PHE 12 1HB PHE 12 6.667 -6.038 -1.133
92 H GLY 13 H GLY 13 6.361 -1.992 -1.056
93 HA2 GLY 13 2HA GLY 13 8.203 -2.097 -3.121
94 HA3 GLY 13 1HA GLY 13 7.664 -0.613 -2.350
95 HA PRO 14 HA PRO 14 11.672 0.065 -0.662
96 HB2 PRO 14 2HB PRO 14 11.209 0.820 1.913
97 HB3 PRO 14 1HB PRO 14 10.871 1.862 0.521
98 HG2 PRO 14 2HG PRO 14 8.996 0.150 2.109
99 HG3 PRO 14 1HG PRO 14 8.764 1.801 1.504
100 HD2 PRO 14 2HD PRO 14 7.702 -0.352 0.264
101 HD3 PRO 14 1HD PRO 14 8.246 1.082 -0.628
102 H ALA 15 H ALA 15 9.594 -2.152 1.058
103 HA ALA 15 HA ALA 15 11.813 -3.278 2.569
104 HB1 ALA 15 3HB ALA 15 9.474 -2.942 3.507
105 HB2 ALA 15 1HB ALA 15 10.214 -4.521 3.768
106 HB3 ALA 15 2HB ALA 15 8.993 -4.317 2.513
107 H ALA 16 H ALA 16 12.414 -3.574 -0.014
108 HA ALA 16 HA ALA 16 12.353 -6.451 -0.345
109 HB1 ALA 16 3HB ALA 16 10.492 -6.245 -1.646
110 HB2 ALA 16 1HB ALA 16 11.729 -5.960 -2.870
111 HB3 ALA 16 2HB ALA 16 10.881 -4.597 -2.138
Start of MODEL 11
1 H1 GLY 1 1HT GLY 1 -2.368 -2.718 4.057
2 H2 GLY 1 2HT GLY 1 -3.860 -3.473 3.805
3 H3 GLY 1 3HT GLY 1 -3.221 -3.368 5.367
4 HA2 GLY 1 1HA GLY 1 -3.905 -1.271 5.685
5 HA3 GLY 1 2HA GLY 1 -3.537 -0.827 4.026
6 H ALA 2 H ALA 2 -5.067 -2.485 2.543
7 HA ALA 2 HA ALA 2 -7.162 -2.743 1.697
8 HB1 ALA 2 3HB ALA 2 -7.260 -3.837 4.153
9 HB2 ALA 2 1HB ALA 2 -8.627 -3.816 3.037
10 HB3 ALA 2 2HB ALA 2 -8.511 -2.604 4.314
11 H ALA 3 H ALA 3 -6.105 -0.072 2.081
12 HA ALA 3 HA ALA 3 -8.196 1.646 2.993
13 HB1 ALA 3 3HB ALA 3 -5.732 2.202 2.922
14 HB2 ALA 3 1HB ALA 3 -6.822 3.446 2.307
15 HB3 ALA 3 2HB ALA 3 -5.924 2.426 1.183
16 H ILE 4 H ILE 4 -6.871 1.026 -0.265
17 HA ILE 4 HA ILE 4 -9.472 1.858 -1.374
18 HB ILE 4 HB ILE 4 -7.659 3.330 -2.070
19 HG12 ILE 4 2HG1 ILE 4 -7.934 3.142 -4.509
20 HG13 ILE 4 1HG1 ILE 4 -8.562 1.508 -4.314
21 HG21 ILE 4 1HG2 ILE 4 -5.611 2.620 -2.554
22 HG22 ILE 4 2HG2 ILE 4 -6.219 1.514 -3.785
23 HG23 ILE 4 3HG2 ILE 4 -6.133 0.997 -2.102
24 HD11 ILE 4 3HD1 ILE 4 -9.985 3.924 -4.318
25 HD12 ILE 4 1HD1 ILE 4 -10.062 3.295 -2.673
26 HD13 ILE 4 2HD1 ILE 4 -10.602 2.298 -4.024
27 H GLY 5 H GLY 5 -7.282 -0.737 -1.016
28 HA2 GLY 5 2HA GLY 5 -8.270 -2.949 -1.501
29 HA3 GLY 5 1HA GLY 5 -8.779 -2.279 -3.044
30 H LEU 6 H LEU 6 -6.047 -0.826 -3.017
31 HA LEU 6 HA LEU 6 -4.273 -3.082 -3.548
32 HG LEU 6 HG LEU 6 -6.618 -2.703 -5.620
33 HB2 LEU 6 2HB LEU 6 -4.897 -0.959 -5.601
34 HB3 LEU 6 1HB LEU 6 -3.647 -2.178 -5.755
35 HD11 LEU 6 1HD1 LEU 6 -6.651 -2.867 -7.874
36 HD12 LEU 6 2HD1 LEU 6 -4.986 -3.438 -7.971
37 HD13 LEU 6 3HD1 LEU 6 -5.318 -1.722 -7.739
38 HD21 LEU 6 3HD2 LEU 6 -4.437 -4.400 -5.005
39 HD22 LEU 6 1HD2 LEU 6 -5.092 -4.919 -6.558
40 HD23 LEU 6 2HD2 LEU 6 -6.144 -4.818 -5.146
41 H ALA 7 H ALA 7 -4.493 -0.777 -1.634
42 HA ALA 7 HA ALA 7 -1.980 0.613 -2.270
43 HB1 ALA 7 3HB ALA 7 -3.385 2.341 -1.854
44 HB2 ALA 7 1HB ALA 7 -2.888 2.014 -0.194
45 HB3 ALA 7 2HB ALA 7 -4.423 1.388 -0.794
46 H TRP 8 H TRP 8 -2.071 -2.083 -1.261
47 HA TRP 8 HA TRP 8 -0.976 -1.737 1.452
48 HD1 TRP 8 HD TRP 8 -3.781 -3.575 -1.224
49 HE1 TRP 8 1HE TRP 8 -3.501 -5.506 -2.903
50 HE3 TRP 8 3HE TRP 8 0.193 -5.950 0.935
51 HZ2 TRP 8 2HZ TRP 8 -1.798 -7.729 -3.275
52 HZ3 TRP 8 3HZ TRP 8 1.105 -7.957 -0.153
53 HH2 TRP 8 HH TRP 8 0.125 -8.828 -2.216
54 HB2 TRP 8 2HB TRP 8 -1.345 -4.173 1.713
55 HB3 TRP 8 1HB TRP 8 -2.846 -3.314 1.348
56 H ILE 9 H ILE 9 -0.433 -3.130 -1.722
57 HA ILE 9 HA ILE 9 1.890 -4.537 -1.256
58 HB ILE 9 HB ILE 9 0.782 -4.795 -3.336
59 HG12 ILE 9 2HG1 ILE 9 3.268 -5.094 -3.245
60 HG13 ILE 9 1HG1 ILE 9 2.620 -4.813 -4.857
61 HG21 ILE 9 1HG2 ILE 9 0.398 -3.175 -4.948
62 HG22 ILE 9 2HG2 ILE 9 1.579 -2.065 -4.262
63 HG23 ILE 9 3HG2 ILE 9 0.054 -2.353 -3.429
64 HD11 ILE 9 3HD1 ILE 9 4.618 -3.362 -3.394
65 HD12 ILE 9 1HD1 ILE 9 3.307 -2.290 -3.876
66 HD13 ILE 9 2HD1 ILE 9 4.158 -3.240 -5.091
67 HA PRO 10 HA PRO 10 4.234 -0.224 -2.360
68 HB2 PRO 10 2HB PRO 10 3.070 1.475 -0.386
69 HB3 PRO 10 1HB PRO 10 3.049 1.690 -2.137
70 HG2 PRO 10 2HG PRO 10 0.984 0.533 -0.348
71 HG3 PRO 10 1HG PRO 10 0.789 1.398 -1.884
72 HD2 PRO 10 2HD PRO 10 0.426 -1.239 -1.741
73 HD3 PRO 10 1HD PRO 10 1.224 -0.511 -3.150
74 H TYR 11 H TYR 11 2.864 -1.526 0.583
75 HA TYR 11 HA TYR 11 4.700 -0.740 2.492
76 HD1 TYR 11 2HD TYR 11 2.715 0.034 2.306
77 HD2 TYR 11 1HD TYR 11 1.515 -3.556 4.257
78 HE1 TYR 11 2HE TYR 11 0.634 1.125 3.026
79 HE2 TYR 11 1HE TYR 11 -0.568 -2.471 4.980
80 HH TYR 11 HH TYR 11 -1.810 0.178 3.685
81 HB2 TYR 11 2HB TYR 11 3.275 -3.396 2.212
82 HB3 TYR 11 1HB TYR 11 4.078 -2.837 3.678
83 H PHE 12 H PHE 12 4.924 -3.295 0.082
84 HA PHE 12 HA PHE 12 7.311 -4.458 1.108
85 HD1 PHE 12 1HD PHE 12 4.023 -4.838 0.181
86 HD2 PHE 12 2HD PHE 12 7.088 -7.698 -0.553
87 HE1 PHE 12 1HE PHE 12 2.580 -6.608 1.082
88 HE2 PHE 12 2HE PHE 12 5.645 -9.476 0.345
89 HZ PHE 12 HZ PHE 12 3.389 -8.932 1.164
90 HB2 PHE 12 2HB PHE 12 6.034 -4.603 -1.629
91 HB3 PHE 12 1HB PHE 12 7.456 -5.535 -1.159
92 H GLY 13 H GLY 13 6.620 -1.934 -1.249
93 HA2 GLY 13 2HA GLY 13 7.987 -0.411 -2.290
94 HA3 GLY 13 1HA GLY 13 9.050 -0.612 -0.906
95 HA PRO 14 HA PRO 14 10.441 -3.444 -4.640
96 HB2 PRO 14 2HB PRO 14 10.391 -2.050 -6.975
97 HB3 PRO 14 1HB PRO 14 9.064 -3.097 -6.445
98 HG2 PRO 14 2HG PRO 14 9.331 -0.120 -6.237
99 HG3 PRO 14 1HG PRO 14 7.922 -1.087 -6.710
100 HD2 PRO 14 2HD PRO 14 8.194 -0.041 -4.232
101 HD3 PRO 14 1HD PRO 14 7.376 -1.590 -4.525
102 H ALA 15 H ALA 15 12.587 -3.476 -4.504
103 HA ALA 15 HA ALA 15 14.051 -0.931 -4.486
104 HB1 ALA 15 3HB ALA 15 15.893 -2.254 -3.482
105 HB2 ALA 15 1HB ALA 15 14.844 -3.671 -3.507
106 HB3 ALA 15 2HB ALA 15 14.412 -2.273 -2.524
107 H ALA 16 H ALA 16 14.559 -0.413 -6.540
108 HA ALA 16 HA ALA 16 16.509 -2.006 -7.910
109 HB1 ALA 16 3HB ALA 16 13.855 -1.620 -9.287
110 HB2 ALA 16 1HB ALA 16 14.402 -3.135 -8.569
111 HB3 ALA 16 2HB ALA 16 15.276 -2.438 -9.932
Start of MODEL 12
1 H1 GLY 1 1HT GLY 1 -13.009 0.908 -9.710
2 H2 GLY 1 2HT GLY 1 -11.502 1.678 -9.767
3 H3 GLY 1 3HT GLY 1 -12.876 2.544 -9.292
4 HA2 GLY 1 1HA GLY 1 -12.114 2.131 -7.231
5 HA3 GLY 1 2HA GLY 1 -12.971 0.620 -7.488
6 H ALA 2 H ALA 2 -9.834 2.179 -7.472
7 HA ALA 2 HA ALA 2 -8.587 -0.327 -6.740
8 HB1 ALA 2 3HB ALA 2 -8.379 -0.609 -9.073
9 HB2 ALA 2 1HB ALA 2 -6.807 -0.034 -8.519
10 HB3 ALA 2 2HB ALA 2 -7.922 1.077 -9.313
11 H ALA 3 H ALA 3 -8.958 1.892 -5.193
12 HA ALA 3 HA ALA 3 -6.296 3.154 -5.104
13 HB1 ALA 3 3HB ALA 3 -8.477 4.355 -3.530
14 HB2 ALA 3 1HB ALA 3 -8.652 4.442 -5.282
15 HB3 ALA 3 2HB ALA 3 -7.222 5.119 -4.503
16 H ILE 4 H ILE 4 -8.374 0.983 -3.514
17 HA ILE 4 HA ILE 4 -6.757 1.181 -1.065
18 HB ILE 4 HB ILE 4 -9.073 1.784 -0.599
19 HG12 ILE 4 2HG1 ILE 4 -9.529 0.154 1.184
20 HG13 ILE 4 1HG1 ILE 4 -8.390 -0.973 0.454
21 HG21 ILE 4 1HG2 ILE 4 -10.159 0.621 -2.425
22 HG22 ILE 4 2HG2 ILE 4 -10.876 0.135 -0.888
23 HG23 ILE 4 3HG2 ILE 4 -9.744 -0.938 -1.711
24 HD11 ILE 4 3HD1 ILE 4 -7.886 1.029 2.364
25 HD12 ILE 4 1HD1 ILE 4 -7.078 1.519 0.873
26 HD13 ILE 4 2HD1 ILE 4 -6.733 -0.057 1.587
27 H GLY 5 H GLY 5 -8.306 -0.933 -3.374
28 HA2 GLY 5 2HA GLY 5 -7.665 -3.405 -2.217
29 HA3 GLY 5 1HA GLY 5 -7.936 -3.129 -3.931
30 H LEU 6 H LEU 6 -5.676 -1.094 -3.838
31 HA LEU 6 HA LEU 6 -3.436 -3.004 -3.734
32 HG LEU 6 HG LEU 6 -3.813 -3.866 -6.136
33 HB2 LEU 6 2HB LEU 6 -3.910 -0.864 -5.811
34 HB3 LEU 6 1HB LEU 6 -2.458 -1.835 -5.687
35 HD11 LEU 6 1HD1 LEU 6 -6.001 -3.674 -5.713
36 HD12 LEU 6 2HD1 LEU 6 -6.097 -2.976 -7.330
37 HD13 LEU 6 3HD1 LEU 6 -5.988 -1.922 -5.921
38 HD21 LEU 6 3HD2 LEU 6 -4.502 -2.952 -8.553
39 HD22 LEU 6 1HD2 LEU 6 -2.831 -3.266 -8.084
40 HD23 LEU 6 2HD2 LEU 6 -3.468 -1.623 -8.030
41 H ALA 7 H ALA 7 -4.343 -1.089 -1.741
42 HA ALA 7 HA ALA 7 -2.199 0.915 -1.792
43 HB1 ALA 7 3HB ALA 7 -3.532 1.769 0.260
44 HB2 ALA 7 1HB ALA 7 -4.814 0.732 -0.364
45 HB3 ALA 7 2HB ALA 7 -4.170 2.037 -1.362
46 H TRP 8 H TRP 8 -2.179 -2.091 -0.977
47 HA TRP 8 HA TRP 8 -0.983 -1.722 1.689
48 HD1 TRP 8 HD TRP 8 -3.847 -3.585 -0.885
49 HE1 TRP 8 1HE TRP 8 -3.633 -5.552 -2.531
50 HE3 TRP 8 3HE TRP 8 0.144 -5.975 1.226
51 HZ2 TRP 8 2HZ TRP 8 -1.972 -7.807 -2.901
52 HZ3 TRP 8 3HZ TRP 8 1.001 -8.016 0.156
53 HH2 TRP 8 HH TRP 8 -0.039 -8.913 -1.865
54 HB2 TRP 8 2HB TRP 8 -1.326 -4.153 1.994
55 HB3 TRP 8 1HB TRP 8 -2.849 -3.312 1.678
56 H ILE 9 H ILE 9 -0.583 -3.196 -1.480
57 HA ILE 9 HA ILE 9 1.788 -4.547 -1.085
58 HB ILE 9 HB ILE 9 0.576 -4.896 -3.097
59 HG12 ILE 9 2HG1 ILE 9 3.068 -5.164 -3.107
60 HG13 ILE 9 1HG1 ILE 9 2.342 -4.959 -4.699
61 HG21 ILE 9 1HG2 ILE 9 1.294 -2.187 -4.146
62 HG22 ILE 9 2HG2 ILE 9 -0.194 -2.475 -3.249
63 HG23 ILE 9 3HG2 ILE 9 0.111 -3.338 -4.755
64 HD11 ILE 9 3HD1 ILE 9 3.856 -3.385 -5.067
65 HD12 ILE 9 1HD1 ILE 9 4.387 -3.424 -3.388
66 HD13 ILE 9 2HD1 ILE 9 3.043 -2.389 -3.864
67 HA PRO 10 HA PRO 10 3.981 -0.235 -2.479
68 HB2 PRO 10 2HB PRO 10 2.903 1.498 -0.481
69 HB3 PRO 10 1HB PRO 10 2.781 1.667 -2.233
70 HG2 PRO 10 2HG PRO 10 0.844 0.520 -0.302
71 HG3 PRO 10 1HG PRO 10 0.545 1.338 -1.846
72 HD2 PRO 10 2HD PRO 10 0.242 -1.299 -1.615
73 HD3 PRO 10 1HD PRO 10 0.952 -0.598 -3.084
74 H TYR 11 H TYR 11 2.821 -1.460 0.583
75 HA TYR 11 HA TYR 11 4.790 -0.589 2.330
76 HD1 TYR 11 2HD TYR 11 2.803 0.206 2.244
77 HD2 TYR 11 1HD TYR 11 1.705 -3.268 4.445
78 HE1 TYR 11 2HE TYR 11 0.795 1.363 3.058
79 HE2 TYR 11 1HE TYR 11 -0.308 -2.118 5.263
80 HH TYR 11 HH TYR 11 -0.939 0.462 5.616
81 HB2 TYR 11 2HB TYR 11 3.314 -3.230 2.274
82 HB3 TYR 11 1HB TYR 11 4.226 -2.622 3.652
83 H PHE 12 H PHE 12 4.784 -3.323 0.097
84 HA PHE 12 HA PHE 12 7.343 -4.291 0.994
85 HD1 PHE 12 1HD PHE 12 3.967 -4.829 0.733
86 HD2 PHE 12 2HD PHE 12 6.928 -7.827 0.133
87 HE1 PHE 12 1HE PHE 12 2.728 -6.344 2.220
88 HE2 PHE 12 2HE PHE 12 5.691 -9.349 1.618
89 HZ PHE 12 HZ PHE 12 3.588 -8.609 2.663
90 HB2 PHE 12 2HB PHE 12 5.648 -5.033 -1.398
91 HB3 PHE 12 1HB PHE 12 7.153 -5.841 -0.959
92 H GLY 13 H GLY 13 6.151 -2.226 -1.574
93 HA2 GLY 13 2HA GLY 13 7.764 -0.512 -2.325
94 HA3 GLY 13 1HA GLY 13 8.955 -1.799 -2.411
95 HA PRO 14 HA PRO 14 5.773 -2.010 -6.157
96 HB2 PRO 14 2HB PRO 14 5.841 0.877 -6.781
97 HB3 PRO 14 1HB PRO 14 4.469 -0.241 -6.771
98 HG2 PRO 14 2HG PRO 14 4.761 1.625 -4.871
99 HG3 PRO 14 1HG PRO 14 4.105 0.019 -4.502
100 HD2 PRO 14 2HD PRO 14 6.859 1.098 -4.024
101 HD3 PRO 14 1HD PRO 14 5.850 0.083 -2.973
102 H ALA 15 H ALA 15 7.707 -2.979 -6.913
103 HA ALA 15 HA ALA 15 9.113 -1.346 -8.879
104 HB1 ALA 15 3HB ALA 15 11.208 -1.546 -8.031
105 HB2 ALA 15 1HB ALA 15 10.869 -3.095 -7.259
106 HB3 ALA 15 2HB ALA 15 10.316 -1.597 -6.510
107 H ALA 16 H ALA 16 7.647 -2.749 -10.161
108 HA ALA 16 HA ALA 16 7.291 -4.492 -11.581
109 HB1 ALA 16 3HB ALA 16 9.406 -4.139 -12.510
110 HB2 ALA 16 1HB ALA 16 9.382 -5.864 -12.142
111 HB3 ALA 16 2HB ALA 16 10.238 -4.747 -11.078
Start of MODEL 13
1 H1 GLY 1 1HT GLY 1 -4.964 0.822 1.150
2 H2 GLY 1 2HT GLY 1 -4.481 -0.632 0.434
3 H3 GLY 1 3HT GLY 1 -5.357 -0.653 1.880
4 HA2 GLY 1 1HA GLY 1 -6.296 -0.017 -0.843
5 HA3 GLY 1 2HA GLY 1 -6.944 -1.192 0.291
6 H ALA 2 H ALA 2 -6.189 2.290 0.445
7 HA ALA 2 HA ALA 2 -8.931 2.725 1.442
8 HB1 ALA 2 3HB ALA 2 -8.155 4.431 2.882
9 HB2 ALA 2 1HB ALA 2 -6.565 4.455 2.119
10 HB3 ALA 2 2HB ALA 2 -7.052 3.073 3.099
11 H ALA 3 H ALA 3 -8.191 2.738 -1.318
12 HA ALA 3 HA ALA 3 -9.387 5.145 -2.145
13 HB1 ALA 3 3HB ALA 3 -6.838 5.667 -1.489
14 HB2 ALA 3 1HB ALA 3 -7.705 6.523 -2.763
15 HB3 ALA 3 2HB ALA 3 -6.621 5.194 -3.174
16 H ILE 4 H ILE 4 -7.084 2.621 -3.109
17 HA ILE 4 HA ILE 4 -8.605 2.303 -5.614
18 HB ILE 4 HB ILE 4 -6.350 3.054 -6.080
19 HG12 ILE 4 2HG1 ILE 4 -6.642 0.099 -6.670
20 HG13 ILE 4 1HG1 ILE 4 -7.354 1.404 -7.615
21 HG21 ILE 4 1HG2 ILE 4 -4.620 2.494 -4.813
22 HG22 ILE 4 2HG2 ILE 4 -4.806 0.797 -5.257
23 HG23 ILE 4 3HG2 ILE 4 -5.673 1.445 -3.865
24 HD11 ILE 4 3HD1 ILE 4 -4.534 1.817 -7.333
25 HD12 ILE 4 1HD1 ILE 4 -5.497 1.615 -8.795
26 HD13 ILE 4 2HD1 ILE 4 -4.858 0.200 -7.956
27 H GLY 5 H GLY 5 -7.677 0.844 -2.684
28 HA2 GLY 5 2HA GLY 5 -8.491 -1.183 -1.853
29 HA3 GLY 5 1HA GLY 5 -8.961 -1.635 -3.486
30 H LEU 6 H LEU 6 -5.923 -0.539 -3.846
31 HA LEU 6 HA LEU 6 -4.672 -3.112 -3.166
32 HG LEU 6 HG LEU 6 -5.104 -3.677 -6.848
33 HB2 LEU 6 2HB LEU 6 -4.341 -1.601 -5.756
34 HB3 LEU 6 1HB LEU 6 -3.405 -3.006 -5.288
35 HD11 LEU 6 1HD1 LEU 6 -6.171 -4.606 -4.215
36 HD12 LEU 6 2HD1 LEU 6 -4.546 -5.051 -4.736
37 HD13 LEU 6 3HD1 LEU 6 -5.941 -5.510 -5.713
38 HD21 LEU 6 3HD2 LEU 6 -6.638 -1.686 -5.741
39 HD22 LEU 6 1HD2 LEU 6 -7.429 -3.156 -5.173
40 HD23 LEU 6 2HD2 LEU 6 -7.193 -2.893 -6.899
41 H ALA 7 H ALA 7 -4.647 -0.454 -1.893
42 HA ALA 7 HA ALA 7 -1.919 0.474 -2.330
43 HB1 ALA 7 3HB ALA 7 -3.800 2.090 -2.090
44 HB2 ALA 7 1HB ALA 7 -2.485 2.341 -0.943
45 HB3 ALA 7 2HB ALA 7 -3.976 1.563 -0.417
46 H TRP 8 H TRP 8 -1.855 -2.041 -1.412
47 HA TRP 8 HA TRP 8 -1.116 -1.778 1.437
48 HD1 TRP 8 HD TRP 8 -3.685 -3.522 -1.520
49 HE1 TRP 8 1HE TRP 8 -3.272 -5.416 -3.213
50 HE3 TRP 8 3HE TRP 8 0.047 -6.000 0.935
51 HZ2 TRP 8 2HZ TRP 8 -1.568 -7.651 -3.483
52 HZ3 TRP 8 3HZ TRP 8 1.032 -7.992 -0.117
53 HH2 TRP 8 HH TRP 8 0.239 -8.800 -2.282
54 HB2 TRP 8 2HB TRP 8 -1.529 -4.218 1.613
55 HB3 TRP 8 1HB TRP 8 -2.987 -3.336 1.137
56 H ILE 9 H ILE 9 -0.365 -3.099 -1.704
57 HA ILE 9 HA ILE 9 1.944 -4.519 -1.109
58 HB ILE 9 HB ILE 9 0.830 -4.749 -3.232
59 HG12 ILE 9 2HG1 ILE 9 3.662 -3.720 -3.465
60 HG13 ILE 9 1HG1 ILE 9 3.159 -5.383 -3.168
61 HG21 ILE 9 1HG2 ILE 9 0.796 -3.082 -4.921
62 HG22 ILE 9 2HG2 ILE 9 1.854 -2.025 -3.989
63 HG23 ILE 9 3HG2 ILE 9 0.207 -2.335 -3.437
64 HD11 ILE 9 3HD1 ILE 9 3.644 -4.134 -5.637
65 HD12 ILE 9 1HD1 ILE 9 1.911 -4.453 -5.551
66 HD13 ILE 9 2HD1 ILE 9 3.062 -5.773 -5.336
67 HA PRO 10 HA PRO 10 4.182 -0.127 -2.266
68 HB2 PRO 10 2HB PRO 10 3.043 1.485 -0.204
69 HB3 PRO 10 1HB PRO 10 2.951 1.745 -1.948
70 HG2 PRO 10 2HG PRO 10 1.002 0.446 -0.119
71 HG3 PRO 10 1HG PRO 10 0.707 1.380 -1.597
72 HD2 PRO 10 2HD PRO 10 0.424 -1.252 -1.606
73 HD3 PRO 10 1HD PRO 10 1.202 -0.442 -2.983
74 H TYR 11 H TYR 11 2.938 -1.490 0.712
75 HA TYR 11 HA TYR 11 4.832 -0.721 2.563
76 HD1 TYR 11 2HD TYR 11 2.804 -0.008 2.465
77 HD2 TYR 11 1HD TYR 11 1.814 -3.674 4.389
78 HE1 TYR 11 2HE TYR 11 0.724 0.999 3.301
79 HE2 TYR 11 1HE TYR 11 -0.269 -2.676 5.229
80 HH TYR 11 HH TYR 11 -1.777 -0.855 4.715
81 HB2 TYR 11 2HB TYR 11 3.469 -3.405 2.259
82 HB3 TYR 11 1HB TYR 11 4.317 -2.873 3.708
83 H PHE 12 H PHE 12 4.940 -3.423 0.274
84 HA PHE 12 HA PHE 12 7.614 -4.170 1.086
85 HD1 PHE 12 1HD PHE 12 7.439 -6.302 2.007
86 HD2 PHE 12 2HD PHE 12 4.039 -6.318 -0.553
87 HE1 PHE 12 1HE PHE 12 6.243 -7.734 3.610
88 HE2 PHE 12 2HE PHE 12 2.837 -7.749 1.047
89 HZ PHE 12 HZ PHE 12 3.939 -8.460 3.131
90 HB2 PHE 12 2HB PHE 12 5.897 -5.162 -1.202
91 HB3 PHE 12 1HB PHE 12 7.431 -5.873 -0.692
92 H GLY 13 H GLY 13 6.090 -2.330 -1.465
93 HA2 GLY 13 2HA GLY 13 8.585 -1.119 -2.181
94 HA3 GLY 13 1HA GLY 13 8.016 -2.231 -3.415
95 HA PRO 14 HA PRO 14 4.996 1.686 -2.819
96 HB2 PRO 14 2HB PRO 14 7.310 3.561 -2.922
97 HB3 PRO 14 1HB PRO 14 5.776 3.707 -2.047
98 HG2 PRO 14 2HG PRO 14 8.021 3.097 -0.753
99 HG3 PRO 14 1HG PRO 14 6.483 2.328 -0.318
100 HD2 PRO 14 2HD PRO 14 8.784 1.222 -1.868
101 HD3 PRO 14 1HD PRO 14 7.715 0.414 -0.703
102 H ALA 15 H ALA 15 4.162 2.175 -4.751
103 HA ALA 15 HA ALA 15 5.581 1.675 -7.151
104 HB1 ALA 15 3HB ALA 15 3.064 1.504 -6.723
105 HB2 ALA 15 1HB ALA 15 3.586 2.157 -8.276
106 HB3 ALA 15 2HB ALA 15 3.026 3.244 -7.004
107 H ALA 16 H ALA 16 5.152 3.521 -8.968
108 HA ALA 16 HA ALA 16 5.943 5.460 -9.861
109 HB1 ALA 16 3HB ALA 16 5.036 6.335 -7.153
110 HB2 ALA 16 1HB ALA 16 4.377 6.730 -8.741
111 HB3 ALA 16 2HB ALA 16 5.885 7.470 -8.202
Start of MODEL 14
1 H1 GLY 1 1HT GLY 1 -8.864 1.223 -6.186
2 H2 GLY 1 2HT GLY 1 -10.129 0.559 -7.088
3 H3 GLY 1 3HT GLY 1 -9.257 1.872 -7.699
4 HA2 GLY 1 1HA GLY 1 -7.564 0.620 -8.432
5 HA3 GLY 1 2HA GLY 1 -7.648 -0.437 -7.032
6 H ALA 2 H ALA 2 -7.342 -2.209 -8.497
7 HA ALA 2 HA ALA 2 -9.456 -2.770 -10.406
8 HB1 ALA 2 3HB ALA 2 -8.130 -4.616 -11.114
9 HB2 ALA 2 1HB ALA 2 -7.136 -4.539 -9.661
10 HB3 ALA 2 2HB ALA 2 -7.039 -3.254 -10.864
11 H ALA 3 H ALA 3 -8.446 -3.767 -7.215
12 HA ALA 3 HA ALA 3 -10.805 -5.525 -7.074
13 HB1 ALA 3 3HB ALA 3 -8.077 -5.997 -5.886
14 HB2 ALA 3 1HB ALA 3 -8.899 -6.964 -7.111
15 HB3 ALA 3 2HB ALA 3 -9.513 -6.927 -5.457
16 H ILE 4 H ILE 4 -8.437 -4.465 -4.648
17 HA ILE 4 HA ILE 4 -10.666 -3.326 -3.102
18 HB ILE 4 HB ILE 4 -9.570 -5.193 -1.974
19 HG12 ILE 4 2HG1 ILE 4 -8.917 -2.519 -0.712
20 HG13 ILE 4 1HG1 ILE 4 -10.461 -3.359 -0.607
21 HG21 ILE 4 1HG2 ILE 4 -7.082 -3.541 -2.333
22 HG22 ILE 4 2HG2 ILE 4 -7.395 -5.174 -2.919
23 HG23 ILE 4 3HG2 ILE 4 -7.200 -4.880 -1.192
24 HD11 ILE 4 3HD1 ILE 4 -7.863 -4.007 0.703
25 HD12 ILE 4 1HD1 ILE 4 -9.059 -5.272 0.430
26 HD13 ILE 4 2HD1 ILE 4 -9.475 -3.864 1.408
27 H GLY 5 H GLY 5 -7.702 -2.620 -4.676
28 HA2 GLY 5 2HA GLY 5 -7.643 -0.082 -5.066
29 HA3 GLY 5 1HA GLY 5 -7.521 -0.016 -3.315
30 H LEU 6 H LEU 6 -5.874 -2.648 -3.668
31 HA LEU 6 HA LEU 6 -3.663 -3.161 -3.555
32 HG LEU 6 HG LEU 6 -5.065 -3.245 -6.332
33 HB2 LEU 6 2HB LEU 6 -3.631 -1.307 -5.926
34 HB3 LEU 6 1HB LEU 6 -2.305 -2.363 -5.480
35 HD11 LEU 6 1HD1 LEU 6 -3.504 -2.298 -8.086
36 HD12 LEU 6 2HD1 LEU 6 -4.091 -3.937 -8.363
37 HD13 LEU 6 3HD1 LEU 6 -2.456 -3.676 -7.758
38 HD21 LEU 6 3HD2 LEU 6 -3.581 -5.465 -6.457
39 HD22 LEU 6 1HD2 LEU 6 -4.508 -5.011 -5.028
40 HD23 LEU 6 2HD2 LEU 6 -2.781 -4.665 -5.103
41 H ALA 7 H ALA 7 -4.531 -0.964 -1.912
42 HA ALA 7 HA ALA 7 -2.236 0.857 -1.939
43 HB1 ALA 7 3HB ALA 7 -4.823 1.447 -1.626
44 HB2 ALA 7 1HB ALA 7 -3.528 2.397 -0.899
45 HB3 ALA 7 2HB ALA 7 -4.381 1.191 0.064
46 H TRP 8 H TRP 8 -2.001 -1.931 -1.133
47 HA TRP 8 HA TRP 8 -1.138 -1.535 1.664
48 HD1 TRP 8 HD TRP 8 -3.993 -3.485 -0.937
49 HE1 TRP 8 1HE TRP 8 -3.687 -5.476 -2.540
50 HE3 TRP 8 3HE TRP 8 0.025 -5.710 1.298
51 HZ2 TRP 8 2HZ TRP 8 -1.949 -7.685 -2.832
52 HZ3 TRP 8 3HZ TRP 8 0.968 -7.741 0.285
53 HH2 TRP 8 HH TRP 8 -0.003 -8.709 -1.738
54 HB2 TRP 8 2HB TRP 8 -1.578 -3.944 2.034
55 HB3 TRP 8 1HB TRP 8 -3.050 -3.072 1.592
56 H ILE 9 H ILE 9 -0.602 -3.054 -1.437
57 HA ILE 9 HA ILE 9 1.683 -4.516 -0.908
58 HB ILE 9 HB ILE 9 0.458 -4.752 -2.978
59 HG12 ILE 9 2HG1 ILE 9 3.334 -3.897 -3.348
60 HG13 ILE 9 1HG1 ILE 9 2.755 -5.514 -2.966
61 HG21 ILE 9 1HG2 ILE 9 -0.041 -2.323 -3.252
62 HG22 ILE 9 2HG2 ILE 9 0.476 -3.140 -4.727
63 HG23 ILE 9 3HG2 ILE 9 1.607 -2.110 -3.845
64 HD11 ILE 9 3HD1 ILE 9 2.559 -5.983 -5.112
65 HD12 ILE 9 1HD1 ILE 9 3.213 -4.391 -5.498
66 HD13 ILE 9 2HD1 ILE 9 1.470 -4.614 -5.339
67 HA PRO 10 HA PRO 10 4.030 -0.256 -2.319
68 HB2 PRO 10 2HB PRO 10 3.058 1.427 -0.210
69 HB3 PRO 10 1HB PRO 10 2.945 1.692 -1.950
70 HG2 PRO 10 2HG PRO 10 0.948 0.566 -0.079
71 HG3 PRO 10 1HG PRO 10 0.700 1.431 -1.606
72 HD2 PRO 10 2HD PRO 10 0.278 -1.193 -1.431
73 HD3 PRO 10 1HD PRO 10 1.018 -0.490 -2.884
74 H TYR 11 H TYR 11 2.946 -1.521 0.765
75 HA TYR 11 HA TYR 11 4.986 -0.761 2.459
76 HD1 TYR 11 2HD TYR 11 2.988 0.022 2.463
77 HD2 TYR 11 1HD TYR 11 1.990 -3.536 4.575
78 HE1 TYR 11 2HE TYR 11 1.001 1.134 3.387
79 HE2 TYR 11 1HE TYR 11 -0.000 -2.431 5.503
80 HH TYR 11 HH TYR 11 -1.431 0.048 4.362
81 HB2 TYR 11 2HB TYR 11 3.523 -3.406 2.353
82 HB3 TYR 11 1HB TYR 11 4.477 -2.840 3.719
83 H PHE 12 H PHE 12 4.956 -3.223 -0.029
84 HA PHE 12 HA PHE 12 7.606 -4.171 0.732
85 HD1 PHE 12 1HD PHE 12 4.047 -4.776 0.444
86 HD2 PHE 12 2HD PHE 12 7.137 -7.698 0.281
87 HE1 PHE 12 1HE PHE 12 2.790 -6.186 2.017
88 HE2 PHE 12 2HE PHE 12 5.881 -9.116 1.851
89 HZ PHE 12 HZ PHE 12 3.704 -8.362 2.720
90 HB2 PHE 12 2HB PHE 12 5.806 -5.056 -1.540
91 HB3 PHE 12 1HB PHE 12 7.308 -5.839 -1.042
92 H GLY 13 H GLY 13 5.977 -2.311 -1.749
93 HA2 GLY 13 2HA GLY 13 7.992 -2.182 -3.678
94 HA3 GLY 13 1HA GLY 13 6.769 -0.950 -3.412
95 HA PRO 14 HA PRO 14 10.914 0.168 -1.111
96 HB2 PRO 14 2HB PRO 14 12.833 -0.495 -3.218
97 HB3 PRO 14 1HB PRO 14 12.855 -0.940 -1.507
98 HG2 PRO 14 2HG PRO 14 12.405 -2.747 -3.467
99 HG3 PRO 14 1HG PRO 14 11.668 -2.879 -1.860
100 HD2 PRO 14 2HD PRO 14 10.470 -1.866 -4.417
101 HD3 PRO 14 1HD PRO 14 9.755 -2.924 -3.181
102 H ALA 15 H ALA 15 11.661 2.238 -1.297
103 HA ALA 15 HA ALA 15 11.882 4.347 -2.120
104 HB1 ALA 15 3HB ALA 15 12.865 2.593 -4.266
105 HB2 ALA 15 1HB ALA 15 13.629 3.982 -3.490
106 HB3 ALA 15 2HB ALA 15 12.437 4.229 -4.765
107 H ALA 16 H ALA 16 11.173 5.701 -4.287
108 HA ALA 16 HA ALA 16 8.316 5.076 -4.666
109 HB1 ALA 16 3HB ALA 16 9.229 7.213 -3.316
110 HB2 ALA 16 1HB ALA 16 7.717 7.209 -4.226
111 HB3 ALA 16 2HB ALA 16 9.179 7.883 -4.946
Start of MODEL 15
1 H1 GLY 1 1HT GLY 1 -10.921 -1.692 -3.637
2 H2 GLY 1 2HT GLY 1 -10.293 -3.159 -4.195
3 H3 GLY 1 3HT GLY 1 -11.965 -2.967 -4.024
4 HA2 GLY 1 1HA GLY 1 -11.746 -2.691 -6.274
5 HA3 GLY 1 2HA GLY 1 -11.672 -1.035 -5.689
6 H ALA 2 H ALA 2 -10.318 -0.025 -7.039
7 HA ALA 2 HA ALA 2 -7.610 -1.138 -7.315
8 HB1 ALA 2 3HB ALA 2 -7.793 0.110 -9.661
9 HB2 ALA 2 1HB ALA 2 -9.491 -0.317 -9.452
10 HB3 ALA 2 2HB ALA 2 -8.258 -1.577 -9.448
11 H ALA 3 H ALA 3 -8.659 0.864 -5.494
12 HA ALA 3 HA ALA 3 -6.883 3.068 -6.251
13 HB1 ALA 3 3HB ALA 3 -9.562 3.643 -5.024
14 HB2 ALA 3 1HB ALA 3 -9.329 3.584 -6.771
15 HB3 ALA 3 2HB ALA 3 -8.441 4.760 -5.802
16 H ILE 4 H ILE 4 -8.863 1.612 -3.690
17 HA ILE 4 HA ILE 4 -6.855 2.509 -1.734
18 HB ILE 4 HB ILE 4 -9.023 3.537 -1.310
19 HG12 ILE 4 2HG1 ILE 4 -9.329 2.812 1.022
20 HG13 ILE 4 1HG1 ILE 4 -8.391 1.357 0.695
21 HG21 ILE 4 1HG2 ILE 4 -10.551 2.048 -2.313
22 HG22 ILE 4 2HG2 ILE 4 -10.916 2.020 -0.587
23 HG23 ILE 4 3HG2 ILE 4 -10.007 0.698 -1.318
24 HD11 ILE 4 3HD1 ILE 4 -6.857 3.623 -0.079
25 HD12 ILE 4 1HD1 ILE 4 -6.528 2.434 1.181
26 HD13 ILE 4 2HD1 ILE 4 -7.473 3.876 1.554
27 H GLY 5 H GLY 5 -8.762 -0.139 -2.924
28 HA2 GLY 5 2HA GLY 5 -8.021 -1.993 -0.873
29 HA3 GLY 5 1HA GLY 5 -8.785 -2.387 -2.405
30 H LEU 6 H LEU 6 -6.344 -0.700 -3.511
31 HA LEU 6 HA LEU 6 -4.485 -2.988 -3.511
32 HG LEU 6 HG LEU 6 -6.786 -2.619 -5.647
33 HB2 LEU 6 2HB LEU 6 -4.980 -0.968 -5.700
34 HB3 LEU 6 1HB LEU 6 -3.790 -2.255 -5.759
35 HD11 LEU 6 1HD1 LEU 6 -4.911 -3.336 -7.882
36 HD12 LEU 6 2HD1 LEU 6 -5.746 -1.784 -7.800
37 HD13 LEU 6 3HD1 LEU 6 -6.673 -3.280 -7.904
38 HD21 LEU 6 3HD2 LEU 6 -4.514 -4.474 -5.293
39 HD22 LEU 6 1HD2 LEU 6 -5.833 -5.026 -6.326
40 HD23 LEU 6 2HD2 LEU 6 -6.158 -4.555 -4.657
41 H ALA 7 H ALA 7 -4.425 -0.913 -1.566
42 HA ALA 7 HA ALA 7 -1.929 0.472 -2.307
43 HB1 ALA 7 3HB ALA 7 -3.871 1.971 -1.926
44 HB2 ALA 7 1HB ALA 7 -2.521 2.262 -0.829
45 HB3 ALA 7 2HB ALA 7 -3.944 1.385 -0.264
46 H TRP 8 H TRP 8 -1.998 -2.170 -1.296
47 HA TRP 8 HA TRP 8 -0.978 -1.833 1.448
48 HD1 TRP 8 HD TRP 8 -3.642 -3.682 -1.349
49 HE1 TRP 8 1HE TRP 8 -3.290 -5.614 -3.012
50 HE3 TRP 8 3HE TRP 8 0.233 -6.057 0.983
51 HZ2 TRP 8 2HZ TRP 8 -1.575 -7.840 -3.307
52 HZ3 TRP 8 3HZ TRP 8 1.188 -8.067 -0.063
53 HH2 TRP 8 HH TRP 8 0.299 -8.940 -2.165
54 HB2 TRP 8 2HB TRP 8 -1.316 -4.272 1.685
55 HB3 TRP 8 1HB TRP 8 -2.821 -3.438 1.277
56 H ILE 9 H ILE 9 -0.332 -3.199 -1.720
57 HA ILE 9 HA ILE 9 2.021 -4.547 -1.179
58 HB ILE 9 HB ILE 9 0.952 -4.887 -3.270
59 HG12 ILE 9 2HG1 ILE 9 3.445 -5.107 -3.120
60 HG13 ILE 9 1HG1 ILE 9 2.821 -4.892 -4.753
61 HG21 ILE 9 1HG2 ILE 9 0.155 -2.470 -3.435
62 HG22 ILE 9 2HG2 ILE 9 0.555 -3.314 -4.928
63 HG23 ILE 9 3HG2 ILE 9 1.688 -2.154 -4.242
64 HD11 ILE 9 3HD1 ILE 9 3.412 -2.322 -3.845
65 HD12 ILE 9 1HD1 ILE 9 4.330 -3.288 -4.997
66 HD13 ILE 9 2HD1 ILE 9 4.738 -3.334 -3.283
67 HA PRO 10 HA PRO 10 4.231 -0.182 -2.368
68 HB2 PRO 10 2HB PRO 10 3.003 1.499 -0.414
69 HB3 PRO 10 1HB PRO 10 2.988 1.698 -2.167
70 HG2 PRO 10 2HG PRO 10 0.948 0.495 -0.382
71 HG3 PRO 10 1HG PRO 10 0.738 1.329 -1.931
72 HD2 PRO 10 2HD PRO 10 0.462 -1.315 -1.752
73 HD3 PRO 10 1HD PRO 10 1.248 -0.583 -3.166
74 H TYR 11 H TYR 11 2.902 -1.475 0.594
75 HA TYR 11 HA TYR 11 4.754 -0.605 2.468
76 HD1 TYR 11 2HD TYR 11 2.773 0.185 2.272
77 HD2 TYR 11 1HD TYR 11 1.570 -3.312 4.380
78 HE1 TYR 11 2HE TYR 11 0.719 1.329 2.985
79 HE2 TYR 11 1HE TYR 11 -0.489 -2.174 5.097
80 HH TYR 11 HH TYR 11 -1.800 0.270 3.768
81 HB2 TYR 11 2HB TYR 11 3.292 -3.246 2.294
82 HB3 TYR 11 1HB TYR 11 4.124 -2.657 3.730
83 H PHE 12 H PHE 12 4.894 -3.320 0.215
84 HA PHE 12 HA PHE 12 7.391 -4.297 1.258
85 HD1 PHE 12 1HD PHE 12 4.042 -4.828 0.771
86 HD2 PHE 12 2HD PHE 12 7.032 -7.820 0.311
87 HE1 PHE 12 1HE PHE 12 2.706 -6.367 2.144
88 HE2 PHE 12 2HE PHE 12 5.699 -9.366 1.683
89 HZ PHE 12 HZ PHE 12 3.534 -8.640 2.602
90 HB2 PHE 12 2HB PHE 12 5.858 -4.999 -1.252
91 HB3 PHE 12 1HB PHE 12 7.332 -5.816 -0.726
92 H GLY 13 H GLY 13 6.371 -2.207 -1.369
93 HA2 GLY 13 2HA GLY 13 8.135 -0.492 -1.893
94 HA3 GLY 13 1HA GLY 13 9.212 -1.862 -2.109
95 HA PRO 14 HA PRO 14 6.300 -1.557 -5.908
96 HB2 PRO 14 2HB PRO 14 5.380 0.877 -6.525
97 HB3 PRO 14 1HB PRO 14 4.562 -0.139 -5.325
98 HG2 PRO 14 2HG PRO 14 6.392 2.187 -4.913
99 HG3 PRO 14 1HG PRO 14 4.925 1.741 -4.024
100 HD2 PRO 14 2HD PRO 14 7.525 1.214 -3.196
101 HD3 PRO 14 1HD PRO 14 6.077 0.373 -2.613
102 H ALA 15 H ALA 15 8.190 1.402 -5.295
103 HA ALA 15 HA ALA 15 9.883 2.401 -6.440
104 HB1 ALA 15 3HB ALA 15 10.484 0.085 -8.152
105 HB2 ALA 15 1HB ALA 15 10.521 -0.225 -6.415
106 HB3 ALA 15 2HB ALA 15 11.542 1.035 -7.109
107 H ALA 16 H ALA 16 10.615 3.056 -8.664
108 HA ALA 16 HA ALA 16 10.152 3.941 -10.707
109 HB1 ALA 16 3HB ALA 16 9.654 1.332 -10.986
110 HB2 ALA 16 1HB ALA 16 9.415 2.496 -12.290
111 HB3 ALA 16 2HB ALA 16 8.040 1.963 -11.321
Start of MODEL 16
1 H1 GLY 1 1HT GLY 1 -2.687 1.602 -9.760
2 H2 GLY 1 2HT GLY 1 -3.079 0.537 -8.507
3 H3 GLY 1 3HT GLY 1 -1.461 0.926 -8.811
4 HA2 GLY 1 1HA GLY 1 -1.556 2.898 -7.753
5 HA3 GLY 1 2HA GLY 1 -3.214 3.174 -8.264
6 H ALA 2 H ALA 2 -2.869 3.908 -5.818
7 HA ALA 2 HA ALA 2 -3.485 1.656 -4.041
8 HB1 ALA 2 3HB ALA 2 -1.892 2.792 -2.900
9 HB2 ALA 2 1HB ALA 2 -3.289 3.712 -2.344
10 HB3 ALA 2 2HB ALA 2 -2.289 4.334 -3.658
11 H ALA 3 H ALA 3 -5.369 2.936 -5.999
12 HA ALA 3 HA ALA 3 -7.427 3.823 -4.084
13 HB1 ALA 3 3HB ALA 3 -7.160 5.642 -5.479
14 HB2 ALA 3 1HB ALA 3 -8.486 4.780 -6.257
15 HB3 ALA 3 2HB ALA 3 -6.848 4.642 -6.897
16 H ILE 4 H ILE 4 -6.640 1.630 -6.682
17 HA ILE 4 HA ILE 4 -9.286 0.660 -7.086
18 HB ILE 4 HB ILE 4 -8.182 -1.079 -8.403
19 HG12 ILE 4 2HG1 ILE 4 -5.617 0.199 -7.458
20 HG13 ILE 4 1HG1 ILE 4 -6.193 -1.402 -7.006
21 HG21 ILE 4 1HG2 ILE 4 -8.556 1.378 -9.153
22 HG22 ILE 4 2HG2 ILE 4 -7.615 0.285 -10.168
23 HG23 ILE 4 3HG2 ILE 4 -6.794 1.451 -9.130
24 HD11 ILE 4 3HD1 ILE 4 -4.473 -1.558 -8.694
25 HD12 ILE 4 1HD1 ILE 4 -5.398 -0.507 -9.767
26 HD13 ILE 4 2HD1 ILE 4 -6.017 -2.104 -9.348
27 H GLY 5 H GLY 5 -7.111 0.272 -4.577
28 HA2 GLY 5 2HA GLY 5 -7.992 -1.064 -2.692
29 HA3 GLY 5 1HA GLY 5 -8.285 -2.343 -3.863
30 H LEU 6 H LEU 6 -5.503 -1.075 -4.911
31 HA LEU 6 HA LEU 6 -3.921 -3.082 -3.493
32 HG LEU 6 HG LEU 6 -1.208 -2.259 -4.878
33 HB2 LEU 6 2HB LEU 6 -3.908 -3.074 -5.958
34 HB3 LEU 6 1HB LEU 6 -3.265 -1.444 -5.944
35 HD11 LEU 6 1HD1 LEU 6 -1.882 -4.112 -3.609
36 HD12 LEU 6 2HD1 LEU 6 -0.886 -4.784 -4.900
37 HD13 LEU 6 3HD1 LEU 6 -2.644 -4.892 -4.996
38 HD21 LEU 6 3HD2 LEU 6 -0.279 -2.855 -6.844
39 HD22 LEU 6 1HD2 LEU 6 -1.869 -2.424 -7.477
40 HD23 LEU 6 2HD2 LEU 6 -1.476 -4.112 -7.152
41 H ALA 7 H ALA 7 -4.500 -1.060 -1.839
42 HA ALA 7 HA ALA 7 -2.176 0.735 -1.836
43 HB1 ALA 7 3HB ALA 7 -4.728 1.419 -1.539
44 HB2 ALA 7 1HB ALA 7 -3.418 2.281 -0.734
45 HB3 ALA 7 2HB ALA 7 -4.347 1.070 0.147
46 H TRP 8 H TRP 8 -1.911 -2.032 -1.129
47 HA TRP 8 HA TRP 8 -1.143 -1.753 1.709
48 HD1 TRP 8 HD TRP 8 -3.842 -3.537 -1.083
49 HE1 TRP 8 1HE TRP 8 -3.530 -5.465 -2.760
50 HE3 TRP 8 3HE TRP 8 -0.011 -6.003 1.228
51 HZ2 TRP 8 2HZ TRP 8 -1.860 -7.722 -3.072
52 HZ3 TRP 8 3HZ TRP 8 0.902 -8.024 0.167
53 HH2 TRP 8 HH TRP 8 -0.005 -8.865 -1.940
54 HB2 TRP 8 2HB TRP 8 -1.532 -4.193 1.946
55 HB3 TRP 8 1HB TRP 8 -3.013 -3.318 1.535
56 H ILE 9 H ILE 9 -0.476 -3.082 -1.446
57 HA ILE 9 HA ILE 9 1.877 -4.471 -0.862
58 HB ILE 9 HB ILE 9 0.665 -4.818 -2.927
59 HG12 ILE 9 2HG1 ILE 9 3.494 -3.815 -3.282
60 HG13 ILE 9 1HG1 ILE 9 2.989 -5.460 -2.908
61 HG21 ILE 9 1HG2 ILE 9 1.668 -2.134 -3.845
62 HG22 ILE 9 2HG2 ILE 9 0.036 -2.419 -3.241
63 HG23 ILE 9 3HG2 ILE 9 0.591 -3.236 -4.703
64 HD11 ILE 9 3HD1 ILE 9 1.692 -4.624 -5.300
65 HD12 ILE 9 1HD1 ILE 9 2.842 -5.940 -5.055
66 HD13 ILE 9 2HD1 ILE 9 3.426 -4.319 -5.436
67 HA PRO 10 HA PRO 10 3.913 -0.070 -2.363
68 HB2 PRO 10 2HB PRO 10 2.898 1.551 -0.232
69 HB3 PRO 10 1HB PRO 10 2.691 1.791 -1.968
70 HG2 PRO 10 2HG PRO 10 0.880 0.500 -0.007
71 HG3 PRO 10 1HG PRO 10 0.485 1.375 -1.499
72 HD2 PRO 10 2HD PRO 10 0.261 -1.266 -1.387
73 HD3 PRO 10 1HD PRO 10 0.923 -0.490 -2.841
74 H TYR 11 H TYR 11 3.017 -1.413 0.740
75 HA TYR 11 HA TYR 11 5.162 -0.510 2.294
76 HD1 TYR 11 1HD TYR 11 1.814 -0.909 1.958
77 HD2 TYR 11 2HD TYR 11 3.939 -1.647 5.570
78 HE1 TYR 11 1HE TYR 11 0.175 0.439 3.189
79 HE2 TYR 11 2HE TYR 11 2.300 -0.301 6.812
80 HH TYR 11 HH TYR 11 -0.394 0.326 6.226
81 HB2 TYR 11 2HB TYR 11 3.488 -3.016 2.434
82 HB3 TYR 11 1HB TYR 11 4.707 -2.622 3.641
83 H PHE 12 H PHE 12 4.783 -3.409 0.294
84 HA PHE 12 HA PHE 12 7.483 -4.293 0.819
85 HD1 PHE 12 1HD PHE 12 7.257 -6.331 1.937
86 HD2 PHE 12 2HD PHE 12 3.580 -6.244 -0.202
87 HE1 PHE 12 1HE PHE 12 6.160 -7.534 3.782
88 HE2 PHE 12 2HE PHE 12 2.476 -7.446 1.639
89 HZ PHE 12 HZ PHE 12 3.766 -8.092 3.636
90 HB2 PHE 12 2HB PHE 12 5.428 -5.310 -1.157
91 HB3 PHE 12 1HB PHE 12 6.955 -6.105 -0.767
92 H GLY 13 H GLY 13 5.747 -2.612 -1.726
93 HA2 GLY 13 2HA GLY 13 7.529 -1.047 -2.828
94 HA3 GLY 13 1HA GLY 13 8.152 -2.582 -3.404
95 HA PRO 14 HA PRO 14 3.835 -1.180 -5.478
96 HB2 PRO 14 2HB PRO 14 5.220 1.242 -6.524
97 HB3 PRO 14 1HB PRO 14 3.527 1.025 -6.053
98 HG2 PRO 14 2HG PRO 14 5.219 2.353 -4.481
99 HG3 PRO 14 1HG PRO 14 3.987 1.277 -3.794
100 HD2 PRO 14 2HD PRO 14 6.922 0.843 -4.115
101 HD3 PRO 14 1HD PRO 14 5.838 0.316 -2.812
102 H ALA 15 H ALA 15 4.638 -3.052 -6.601
103 HA ALA 15 HA ALA 15 5.432 -4.207 -8.399
104 HB1 ALA 15 3HB ALA 15 4.738 -3.413 -10.414
105 HB2 ALA 15 1HB ALA 15 5.354 -1.788 -10.116
106 HB3 ALA 15 2HB ALA 15 3.847 -2.313 -9.364
107 H ALA 16 H ALA 16 6.998 -3.562 -10.559
108 HA ALA 16 HA ALA 16 9.356 -2.147 -9.657
109 HB1 ALA 16 3HB ALA 16 9.786 -4.257 -8.617
110 HB2 ALA 16 1HB ALA 16 10.841 -4.118 -10.022
111 HB3 ALA 16 2HB ALA 16 9.395 -5.127 -10.101
Start of MODEL 17
1 H1 GLY 1 1HT GLY 1 -4.833 6.955 -7.562
2 H2 GLY 1 2HT GLY 1 -4.651 5.372 -6.996
3 H3 GLY 1 3HT GLY 1 -4.599 6.669 -5.911
4 HA2 GLY 1 1HA GLY 1 -6.911 7.186 -6.353
5 HA3 GLY 1 2HA GLY 1 -6.969 5.861 -7.504
6 H ALA 2 H ALA 2 -5.705 3.839 -6.230
7 HA ALA 2 HA ALA 2 -6.045 2.154 -4.740
8 HB1 ALA 2 3HB ALA 2 -6.220 4.602 -3.070
9 HB2 ALA 2 1HB ALA 2 -5.095 3.245 -2.980
10 HB3 ALA 2 2HB ALA 2 -6.734 3.075 -2.351
11 H ALA 3 H ALA 3 -8.171 2.674 -6.439
12 HA ALA 3 HA ALA 3 -10.626 2.755 -4.927
13 HB1 ALA 3 3HB ALA 3 -10.083 2.265 -7.850
14 HB2 ALA 3 1HB ALA 3 -10.625 3.767 -7.102
15 HB3 ALA 3 2HB ALA 3 -11.694 2.364 -7.139
16 H ILE 4 H ILE 4 -8.628 0.314 -6.489
17 HA ILE 4 HA ILE 4 -10.533 -1.789 -5.975
18 HB ILE 4 HB ILE 4 -8.847 -3.224 -7.011
19 HG12 ILE 4 2HG1 ILE 4 -7.220 -0.696 -7.258
20 HG13 ILE 4 1HG1 ILE 4 -6.832 -2.071 -6.229
21 HG21 ILE 4 1HG2 ILE 4 -9.451 -2.636 -9.103
22 HG22 ILE 4 2HG2 ILE 4 -8.927 -0.965 -8.893
23 HG23 ILE 4 3HG2 ILE 4 -10.476 -1.493 -8.236
24 HD11 ILE 4 3HD1 ILE 4 -6.787 -1.910 -9.221
25 HD12 ILE 4 1HD1 ILE 4 -6.765 -3.446 -8.357
26 HD13 ILE 4 2HD1 ILE 4 -5.465 -2.281 -8.116
27 H GLY 5 H GLY 5 -8.704 -0.173 -3.912
28 HA2 GLY 5 2HA GLY 5 -7.938 -0.672 -1.803
29 HA3 GLY 5 1HA GLY 5 -8.555 -2.302 -2.029
30 H LEU 6 H LEU 6 -6.317 -0.991 -4.332
31 HA LEU 6 HA LEU 6 -4.358 -2.991 -3.517
32 HG LEU 6 HG LEU 6 -2.145 -2.036 -5.535
33 HB2 LEU 6 2HB LEU 6 -5.038 -2.838 -5.885
34 HB3 LEU 6 1HB LEU 6 -4.423 -1.197 -5.946
35 HD11 LEU 6 1HD1 LEU 6 -3.452 -4.749 -5.636
36 HD12 LEU 6 2HD1 LEU 6 -2.668 -4.011 -4.239
37 HD13 LEU 6 3HD1 LEU 6 -1.714 -4.453 -5.655
38 HD21 LEU 6 3HD2 LEU 6 -1.832 -3.143 -7.702
39 HD22 LEU 6 1HD2 LEU 6 -2.898 -1.742 -7.824
40 HD23 LEU 6 2HD2 LEU 6 -3.576 -3.371 -7.829
41 H ALA 7 H ALA 7 -4.460 -1.102 -1.633
42 HA ALA 7 HA ALA 7 -2.052 0.531 -2.113
43 HB1 ALA 7 3HB ALA 7 -2.973 2.339 -1.122
44 HB2 ALA 7 1HB ALA 7 -3.899 1.372 0.027
45 HB3 ALA 7 2HB ALA 7 -4.477 1.571 -1.628
46 H TRP 8 H TRP 8 -1.858 -2.091 -1.277
47 HA TRP 8 HA TRP 8 -1.048 -1.799 1.551
48 HD1 TRP 8 HD TRP 8 -3.780 -3.532 -1.213
49 HE1 TRP 8 1HE TRP 8 -3.508 -5.422 -2.938
50 HE3 TRP 8 3HE TRP 8 0.091 -6.057 0.963
51 HZ2 TRP 8 2HZ TRP 8 -1.851 -7.674 -3.335
52 HZ3 TRP 8 3HZ TRP 8 0.977 -8.056 -0.161
53 HH2 TRP 8 HH TRP 8 0.023 -8.847 -2.267
54 HB2 TRP 8 2HB TRP 8 -1.413 -4.256 1.754
55 HB3 TRP 8 1HB TRP 8 -2.900 -3.371 1.391
56 H ILE 9 H ILE 9 -0.352 -3.083 -1.614
57 HA ILE 9 HA ILE 9 1.982 -4.494 -1.041
58 HB ILE 9 HB ILE 9 0.806 -4.781 -3.128
59 HG12 ILE 9 2HG1 ILE 9 3.631 -3.755 -3.424
60 HG13 ILE 9 1HG1 ILE 9 3.129 -5.413 -3.111
61 HG21 ILE 9 1HG2 ILE 9 0.164 -2.379 -3.381
62 HG22 ILE 9 2HG2 ILE 9 0.739 -3.148 -4.859
63 HG23 ILE 9 3HG2 ILE 9 1.800 -2.065 -3.958
64 HD11 ILE 9 3HD1 ILE 9 3.571 -4.172 -5.597
65 HD12 ILE 9 1HD1 ILE 9 1.845 -4.517 -5.479
66 HD13 ILE 9 2HD1 ILE 9 3.021 -5.817 -5.274
67 HA PRO 10 HA PRO 10 4.127 -0.113 -2.368
68 HB2 PRO 10 2HB PRO 10 3.037 1.585 -0.366
69 HB3 PRO 10 1HB PRO 10 2.851 1.740 -2.114
70 HG2 PRO 10 2HG PRO 10 1.036 0.482 -0.116
71 HG3 PRO 10 1HG PRO 10 0.634 1.370 -1.600
72 HD2 PRO 10 2HD PRO 10 0.399 -1.260 -1.530
73 HD3 PRO 10 1HD PRO 10 1.102 -0.481 -2.965
74 H TYR 11 H TYR 11 3.018 -1.475 0.641
75 HA TYR 11 HA TYR 11 4.991 -0.566 2.390
76 HD1 TYR 11 1HD TYR 11 1.751 -0.929 1.773
77 HD2 TYR 11 2HD TYR 11 3.508 -1.911 5.522
78 HE1 TYR 11 1HE TYR 11 0.001 0.353 2.921
79 HE2 TYR 11 2HE TYR 11 1.759 -0.630 6.681
80 HH TYR 11 HH TYR 11 0.176 1.120 6.265
81 HB2 TYR 11 2HB TYR 11 3.362 -3.100 2.306
82 HB3 TYR 11 1HB TYR 11 4.478 -2.746 3.622
83 H PHE 12 H PHE 12 4.878 -3.482 0.362
84 HA PHE 12 HA PHE 12 7.467 -4.385 1.149
85 HD1 PHE 12 1HD PHE 12 7.215 -6.557 1.910
86 HD2 PHE 12 2HD PHE 12 3.806 -6.187 -0.610
87 HE1 PHE 12 1HE PHE 12 5.931 -7.986 3.446
88 HE2 PHE 12 2HE PHE 12 2.515 -7.614 0.924
89 HZ PHE 12 HZ PHE 12 3.577 -8.516 2.953
90 HB2 PHE 12 2HB PHE 12 5.744 -5.142 -1.219
91 HB3 PHE 12 1HB PHE 12 7.228 -5.977 -0.749
92 H GLY 13 H GLY 13 6.344 -2.103 -1.187
93 HA2 GLY 13 2HA GLY 13 8.639 -0.824 -1.727
94 HA3 GLY 13 1HA GLY 13 8.776 -2.227 -2.772
95 HA PRO 14 HA PRO 14 5.342 0.769 -4.402
96 HB2 PRO 14 2HB PRO 14 6.032 3.363 -4.241
97 HB3 PRO 14 1HB PRO 14 5.182 2.540 -2.924
98 HG2 PRO 14 2HG PRO 14 8.095 3.180 -3.195
99 HG3 PRO 14 1HG PRO 14 7.044 3.326 -1.774
100 HD2 PRO 14 2HD PRO 14 8.754 1.231 -2.187
101 HD3 PRO 14 1HD PRO 14 7.263 1.109 -1.236
102 H ALA 15 H ALA 15 5.311 1.436 -6.539
103 HA ALA 15 HA ALA 15 6.069 1.709 -8.667
104 HB1 ALA 15 3HB ALA 15 7.811 3.378 -7.012
105 HB2 ALA 15 1HB ALA 15 6.961 3.759 -8.509
106 HB3 ALA 15 2HB ALA 15 8.513 2.924 -8.565
107 H ALA 16 H ALA 16 8.408 1.504 -9.951
108 HA ALA 16 HA ALA 16 9.930 0.023 -10.765
109 HB1 ALA 16 3HB ALA 16 11.242 -1.287 -9.119
110 HB2 ALA 16 1HB ALA 16 10.146 -0.728 -7.853
111 HB3 ALA 16 2HB ALA 16 11.146 0.430 -8.730
Start of MODEL 18
1 H1 GLY 1 1HT GLY 1 -5.400 6.333 -4.795
2 H2 GLY 1 2HT GLY 1 -6.100 4.978 -5.527
3 H3 GLY 1 3HT GLY 1 -4.806 5.769 -6.277
4 HA2 GLY 1 1HA GLY 1 -3.553 4.180 -5.353
5 HA3 GLY 1 2HA GLY 1 -3.699 5.190 -3.921
6 H ALA 2 H ALA 2 -6.416 4.686 -3.337
7 HA ALA 2 HA ALA 2 -6.294 1.834 -2.598
8 HB1 ALA 2 3HB ALA 2 -6.938 4.251 -1.022
9 HB2 ALA 2 1HB ALA 2 -6.171 2.740 -0.527
10 HB3 ALA 2 2HB ALA 2 -7.924 2.820 -0.713
11 H ALA 3 H ALA 3 -7.499 3.003 -4.994
12 HA ALA 3 HA ALA 3 -10.364 2.846 -4.543
13 HB1 ALA 3 3HB ALA 3 -10.439 3.231 -7.049
14 HB2 ALA 3 1HB ALA 3 -8.689 3.428 -6.970
15 HB3 ALA 3 2HB ALA 3 -9.741 4.525 -6.076
16 H ILE 4 H ILE 4 -7.921 1.094 -6.464
17 HA ILE 4 HA ILE 4 -9.773 -0.992 -7.137
18 HB ILE 4 HB ILE 4 -7.845 -1.997 -8.255
19 HG12 ILE 4 2HG1 ILE 4 -6.309 0.362 -7.168
20 HG13 ILE 4 1HG1 ILE 4 -6.096 -1.315 -6.678
21 HG21 ILE 4 1HG2 ILE 4 -7.475 -0.220 -9.918
22 HG22 ILE 4 2HG2 ILE 4 -8.218 0.933 -8.808
23 HG23 ILE 4 3HG2 ILE 4 -9.173 -0.394 -9.471
24 HD11 ILE 4 3HD1 ILE 4 -4.502 -1.422 -8.213
25 HD12 ILE 4 1HD1 ILE 4 -4.986 0.115 -8.929
26 HD13 ILE 4 2HD1 ILE 4 -5.785 -1.378 -9.423
27 H GLY 5 H GLY 5 -8.237 -0.309 -4.331
28 HA2 GLY 5 2HA GLY 5 -8.095 -1.642 -2.430
29 HA3 GLY 5 1HA GLY 5 -8.415 -3.053 -3.428
30 H LEU 6 H LEU 6 -5.953 -0.999 -4.607
31 HA LEU 6 HA LEU 6 -3.930 -2.924 -3.681
32 HG LEU 6 HG LEU 6 -1.594 -1.566 -5.307
33 HB2 LEU 6 2HB LEU 6 -4.237 -2.788 -6.116
34 HB3 LEU 6 1HB LEU 6 -3.881 -1.073 -6.067
35 HD11 LEU 6 1HD1 LEU 6 -1.481 -3.527 -4.180
36 HD12 LEU 6 2HD1 LEU 6 -1.037 -4.133 -5.775
37 HD13 LEU 6 3HD1 LEU 6 -2.692 -4.310 -5.195
38 HD21 LEU 6 3HD2 LEU 6 -1.474 -1.314 -7.554
39 HD22 LEU 6 1HD2 LEU 6 -2.701 -2.541 -7.869
40 HD23 LEU 6 2HD2 LEU 6 -1.049 -3.024 -7.483
41 H ALA 7 H ALA 7 -4.258 -1.420 -1.686
42 HA ALA 7 HA ALA 7 -2.195 0.678 -1.840
43 HB1 ALA 7 3HB ALA 7 -3.980 2.050 -1.542
44 HB2 ALA 7 1HB ALA 7 -3.663 1.650 0.147
45 HB3 ALA 7 2HB ALA 7 -4.940 0.811 -0.735
46 H TRP 8 H TRP 8 -1.861 -2.067 -1.120
47 HA TRP 8 HA TRP 8 -1.075 -1.759 1.709
48 HD1 TRP 8 HD TRP 8 -3.787 -3.547 -1.039
49 HE1 TRP 8 1HE TRP 8 -3.510 -5.484 -2.710
50 HE3 TRP 8 3HE TRP 8 0.040 -6.042 1.248
51 HZ2 TRP 8 2HZ TRP 8 -1.866 -7.759 -3.027
52 HZ3 TRP 8 3HZ TRP 8 0.922 -8.076 0.189
53 HH2 TRP 8 HH TRP 8 -0.013 -8.917 -1.906
54 HB2 TRP 8 2HB TRP 8 -1.443 -4.206 1.966
55 HB3 TRP 8 1HB TRP 8 -2.934 -3.337 1.581
56 H ILE 9 H ILE 9 -0.435 -3.121 -1.440
57 HA ILE 9 HA ILE 9 1.928 -4.491 -0.865
58 HB ILE 9 HB ILE 9 0.699 -4.869 -2.913
59 HG12 ILE 9 2HG1 ILE 9 3.520 -3.856 -3.305
60 HG13 ILE 9 1HG1 ILE 9 3.025 -5.499 -2.912
61 HG21 ILE 9 1HG2 ILE 9 0.052 -2.480 -3.252
62 HG22 ILE 9 2HG2 ILE 9 0.600 -3.309 -4.708
63 HG23 ILE 9 3HG2 ILE 9 1.676 -2.190 -3.871
64 HD11 ILE 9 3HD1 ILE 9 3.425 -4.367 -5.457
65 HD12 ILE 9 1HD1 ILE 9 1.701 -4.704 -5.297
66 HD13 ILE 9 2HD1 ILE 9 2.878 -5.995 -5.055
67 HA PRO 10 HA PRO 10 3.943 -0.106 -2.430
68 HB2 PRO 10 2HB PRO 10 2.932 1.554 -0.333
69 HB3 PRO 10 1HB PRO 10 2.705 1.751 -2.072
70 HG2 PRO 10 2HG PRO 10 0.925 0.487 -0.062
71 HG3 PRO 10 1HG PRO 10 0.506 1.340 -1.560
72 HD2 PRO 10 2HD PRO 10 0.294 -1.298 -1.414
73 HD3 PRO 10 1HD PRO 10 0.942 -0.540 -2.886
74 H TYR 11 H TYR 11 3.046 -1.414 0.683
75 HA TYR 11 HA TYR 11 5.185 -0.487 2.235
76 HD1 TYR 11 1HD TYR 11 1.843 -0.864 1.877
77 HD2 TYR 11 2HD TYR 11 3.922 -1.576 5.521
78 HE1 TYR 11 1HE TYR 11 0.201 0.511 3.075
79 HE2 TYR 11 2HE TYR 11 2.280 -0.203 6.729
80 HH TYR 11 HH TYR 11 0.211 1.893 5.281
81 HB2 TYR 11 2HB TYR 11 3.496 -2.981 2.402
82 HB3 TYR 11 1HB TYR 11 4.708 -2.573 3.612
83 H PHE 12 H PHE 12 4.786 -3.456 0.335
84 HA PHE 12 HA PHE 12 7.254 -4.632 0.928
85 HD1 PHE 12 2HD PHE 12 5.419 -5.212 1.850
86 HD2 PHE 12 1HD PHE 12 4.683 -7.335 -1.766
87 HE1 PHE 12 2HE PHE 12 3.827 -6.665 3.031
88 HE2 PHE 12 1HE PHE 12 3.089 -8.791 -0.588
89 HZ PHE 12 HZ PHE 12 2.660 -8.458 1.813
90 HB2 PHE 12 2HB PHE 12 5.608 -4.835 -1.605
91 HB3 PHE 12 1HB PHE 12 6.929 -5.919 -1.165
92 H GLY 13 H GLY 13 6.394 -2.097 -1.313
93 HA2 GLY 13 2HA GLY 13 8.567 -0.689 -1.612
94 HA3 GLY 13 1HA GLY 13 9.093 -2.130 -2.468
95 HA PRO 14 HA PRO 14 7.323 -0.422 -6.130
96 HB2 PRO 14 2HB PRO 14 6.837 -2.655 -7.579
97 HB3 PRO 14 1HB PRO 14 8.476 -2.053 -7.276
98 HG2 PRO 14 2HG PRO 14 6.976 -4.248 -5.894
99 HG3 PRO 14 1HG PRO 14 8.667 -4.214 -6.430
100 HD2 PRO 14 2HD PRO 14 7.927 -3.777 -3.853
101 HD3 PRO 14 1HD PRO 14 9.356 -3.021 -4.586
102 H ALA 15 H ALA 15 5.364 0.500 -5.995
103 HA ALA 15 HA ALA 15 3.017 -1.250 -5.655
104 HB1 ALA 15 3HB ALA 15 3.731 1.351 -4.514
105 HB2 ALA 15 1HB ALA 15 2.632 0.111 -3.914
106 HB3 ALA 15 2HB ALA 15 2.082 1.259 -5.134
107 H ALA 16 H ALA 16 3.394 -1.556 -8.055
108 HA ALA 16 HA ALA 16 1.452 -0.086 -9.492
109 HB1 ALA 16 3HB ALA 16 2.610 1.402 -10.729
110 HB2 ALA 16 1HB ALA 16 4.039 0.372 -10.827
111 HB3 ALA 16 2HB ALA 16 3.739 1.331 -9.377
Start of MODEL 19
1 H1 GLY 1 1HT GLY 1 -6.234 -2.097 2.248
2 H2 GLY 1 2HT GLY 1 -4.921 -1.692 1.262
3 H3 GLY 1 3HT GLY 1 -5.220 -3.311 1.646
4 HA2 GLY 1 1HA GLY 1 -6.120 -1.913 -0.566
5 HA3 GLY 1 2HA GLY 1 -6.534 -3.556 -0.098
6 H ALA 2 H ALA 2 -7.330 -0.399 1.344
7 HA ALA 2 HA ALA 2 -10.171 -1.159 1.169
8 HB1 ALA 2 3HB ALA 2 -9.094 -0.858 3.459
9 HB2 ALA 2 1HB ALA 2 -10.597 0.015 3.157
10 HB3 ALA 2 2HB ALA 2 -9.053 0.865 3.085
11 H ALA 3 H ALA 3 -7.895 1.533 0.851
12 HA ALA 3 HA ALA 3 -9.819 3.433 -0.017
13 HB1 ALA 3 3HB ALA 3 -7.970 4.530 0.712
14 HB2 ALA 3 1HB ALA 3 -7.567 4.464 -1.004
15 HB3 ALA 3 2HB ALA 3 -6.863 3.295 0.113
16 H ILE 4 H ILE 4 -7.316 1.641 -1.824
17 HA ILE 4 HA ILE 4 -8.972 1.958 -4.245
18 HB ILE 4 HB ILE 4 -5.960 1.741 -4.073
19 HG12 ILE 4 2HG1 ILE 4 -6.781 3.928 -3.353
20 HG13 ILE 4 1HG1 ILE 4 -5.985 4.058 -4.920
21 HG21 ILE 4 1HG2 ILE 4 -7.878 1.605 -6.331
22 HG22 ILE 4 2HG2 ILE 4 -6.319 0.808 -6.117
23 HG23 ILE 4 3HG2 ILE 4 -6.383 2.507 -6.585
24 HD11 ILE 4 3HD1 ILE 4 -8.713 3.550 -5.402
25 HD12 ILE 4 1HD1 ILE 4 -7.793 5.015 -5.738
26 HD13 ILE 4 2HD1 ILE 4 -8.613 4.825 -4.188
27 H GLY 5 H GLY 5 -7.819 -0.233 -1.998
28 HA2 GLY 5 2HA GLY 5 -8.226 -2.532 -1.985
29 HA3 GLY 5 1HA GLY 5 -8.536 -2.463 -3.716
30 H LEU 6 H LEU 6 -5.877 -0.805 -3.753
31 HA LEU 6 HA LEU 6 -4.052 -3.107 -3.554
32 HG LEU 6 HG LEU 6 -4.655 -4.073 -5.859
33 HB2 LEU 6 2HB LEU 6 -4.161 -1.093 -5.802
34 HB3 LEU 6 1HB LEU 6 -2.916 -2.311 -5.604
35 HD11 LEU 6 1HD1 LEU 6 -6.397 -1.738 -5.799
36 HD12 LEU 6 2HD1 LEU 6 -6.764 -3.439 -5.512
37 HD13 LEU 6 3HD1 LEU 6 -6.717 -2.812 -7.159
38 HD21 LEU 6 3HD2 LEU 6 -3.260 -2.924 -7.744
39 HD22 LEU 6 1HD2 LEU 6 -4.831 -2.303 -8.252
40 HD23 LEU 6 2HD2 LEU 6 -4.561 -4.044 -8.155
41 H ALA 7 H ALA 7 -4.594 -0.764 -1.807
42 HA ALA 7 HA ALA 7 -2.075 0.715 -2.017
43 HB1 ALA 7 3HB ALA 7 -4.006 1.388 0.108
44 HB2 ALA 7 1HB ALA 7 -4.537 1.657 -1.552
45 HB3 ALA 7 2HB ALA 7 -3.073 2.440 -0.956
46 H TRP 8 H TRP 8 -1.894 -1.972 -1.258
47 HA TRP 8 HA TRP 8 -1.041 -1.718 1.559
48 HD1 TRP 8 HD TRP 8 -3.880 -3.451 -1.151
49 HE1 TRP 8 1HE TRP 8 -3.636 -5.364 -2.855
50 HE3 TRP 8 3HE TRP 8 0.027 -5.950 0.993
51 HZ2 TRP 8 2HZ TRP 8 -1.986 -7.621 -3.252
52 HZ3 TRP 8 3HZ TRP 8 0.895 -7.962 -0.120
53 HH2 TRP 8 HH TRP 8 -0.094 -8.780 -2.200
54 HB2 TRP 8 2HB TRP 8 -1.485 -4.150 1.795
55 HB3 TRP 8 1HB TRP 8 -2.953 -3.239 1.423
56 H ILE 9 H ILE 9 -0.482 -3.058 -1.614
57 HA ILE 9 HA ILE 9 1.817 -4.535 -1.120
58 HB ILE 9 HB ILE 9 0.598 -4.754 -3.187
59 HG12 ILE 9 2HG1 ILE 9 3.440 -3.795 -3.557
60 HG13 ILE 9 1HG1 ILE 9 2.916 -5.441 -3.220
61 HG21 ILE 9 1HG2 ILE 9 0.527 -3.102 -4.886
62 HG22 ILE 9 2HG2 ILE 9 1.656 -2.064 -4.016
63 HG23 ILE 9 3HG2 ILE 9 0.030 -2.324 -3.385
64 HD11 ILE 9 3HD1 ILE 9 2.713 -5.852 -5.378
65 HD12 ILE 9 1HD1 ILE 9 3.317 -4.231 -5.721
66 HD13 ILE 9 2HD1 ILE 9 1.582 -4.510 -5.555
67 HA PRO 10 HA PRO 10 4.125 -0.237 -2.400
68 HB2 PRO 10 2HB PRO 10 3.106 1.511 -0.411
69 HB3 PRO 10 1HB PRO 10 2.910 1.661 -2.160
70 HG2 PRO 10 2HG PRO 10 1.067 0.481 -0.139
71 HG3 PRO 10 1HG PRO 10 0.684 1.389 -1.616
72 HD2 PRO 10 2HD PRO 10 0.346 -1.231 -1.552
73 HD3 PRO 10 1HD PRO 10 1.064 -0.474 -2.990
74 H TYR 11 H TYR 11 2.891 -1.486 0.622
75 HA TYR 11 HA TYR 11 4.776 -0.709 2.461
76 HD1 TYR 11 2HD TYR 11 2.752 -0.010 2.359
77 HD2 TYR 11 1HD TYR 11 1.773 -3.683 4.275
78 HE1 TYR 11 2HE TYR 11 0.660 0.981 3.181
79 HE2 TYR 11 1HE TYR 11 -0.321 -2.699 5.101
80 HH TYR 11 HH TYR 11 -0.945 0.604 5.061
81 HB2 TYR 11 2HB TYR 11 3.441 -3.406 2.163
82 HB3 TYR 11 1HB TYR 11 4.277 -2.860 3.614
83 H PHE 12 H PHE 12 4.917 -3.483 0.248
84 HA PHE 12 HA PHE 12 7.542 -4.264 1.084
85 HD1 PHE 12 1HD PHE 12 7.316 -6.456 1.808
86 HD2 PHE 12 2HD PHE 12 4.049 -6.222 -0.909
87 HE1 PHE 12 1HE PHE 12 6.030 -7.999 3.227
88 HE2 PHE 12 2HE PHE 12 2.757 -7.766 0.505
89 HZ PHE 12 HZ PHE 12 3.747 -8.655 2.576
90 HB2 PHE 12 2HB PHE 12 5.947 -5.041 -1.368
91 HB3 PHE 12 1HB PHE 12 7.447 -5.813 -0.846
92 H GLY 13 H GLY 13 6.237 -2.152 -1.365
93 HA2 GLY 13 2HA GLY 13 8.985 -1.662 -2.337
94 HA3 GLY 13 1HA GLY 13 7.556 -1.511 -3.349
95 HA PRO 14 HA PRO 14 7.318 2.263 -0.371
96 HB2 PRO 14 2HB PRO 14 9.358 2.675 1.359
97 HB3 PRO 14 1HB PRO 14 7.952 1.675 1.761
98 HG2 PRO 14 2HG PRO 14 10.679 0.835 0.847
99 HG3 PRO 14 1HG PRO 14 9.665 0.141 2.127
100 HD2 PRO 14 2HD PRO 14 9.859 -0.953 -0.349
101 HD3 PRO 14 1HD PRO 14 8.387 -1.061 0.636
102 H ALA 15 H ALA 15 7.781 4.140 -1.341
103 HA ALA 15 HA ALA 15 10.186 4.341 -2.953
104 HB1 ALA 15 3HB ALA 15 8.953 6.676 -3.404
105 HB2 ALA 15 1HB ALA 15 7.576 5.724 -2.849
106 HB3 ALA 15 2HB ALA 15 8.522 5.182 -4.236
107 H ALA 16 H ALA 16 11.984 5.288 -2.275
108 HA ALA 16 HA ALA 16 13.449 6.577 -1.103
109 HB1 ALA 16 3HB ALA 16 11.006 8.322 -0.983
110 HB2 ALA 16 1HB ALA 16 12.421 8.485 -2.022
111 HB3 ALA 16 2HB ALA 16 12.555 8.810 -0.295
Start of MODEL 20
1 H1 GLY 1 1HT GLY 1 -6.443 1.396 2.477
2 H2 GLY 1 2HT GLY 1 -6.373 0.949 0.847
3 H3 GLY 1 3HT GLY 1 -5.118 0.519 1.897
4 HA2 GLY 1 1HA GLY 1 -6.315 -1.442 1.676
5 HA3 GLY 1 2HA GLY 1 -6.851 -0.764 3.207
6 H ALA 2 H ALA 2 -8.402 1.351 1.834
7 HA ALA 2 HA ALA 2 -10.514 -0.223 0.549
8 HB1 ALA 2 3HB ALA 2 -12.135 1.231 1.993
9 HB2 ALA 2 1HB ALA 2 -10.754 1.330 3.086
10 HB3 ALA 2 2HB ALA 2 -11.431 -0.242 2.659
11 H ALA 3 H ALA 3 -8.559 1.697 -0.448
12 HA ALA 3 HA ALA 3 -10.382 3.843 -1.330
13 HB1 ALA 3 3HB ALA 3 -7.533 3.877 -0.542
14 HB2 ALA 3 1HB ALA 3 -8.780 5.110 -0.355
15 HB3 ALA 3 2HB ALA 3 -7.987 4.887 -1.914
16 H ILE 4 H ILE 4 -7.563 1.922 -2.376
17 HA ILE 4 HA ILE 4 -8.588 2.092 -5.135
18 HB ILE 4 HB ILE 4 -5.729 1.734 -4.224
19 HG12 ILE 4 2HG1 ILE 4 -6.539 4.015 -3.890
20 HG13 ILE 4 1HG1 ILE 4 -5.384 3.963 -5.220
21 HG21 ILE 4 1HG2 ILE 4 -5.596 0.674 -6.216
22 HG22 ILE 4 2HG2 ILE 4 -5.545 2.322 -6.839
23 HG23 ILE 4 3HG2 ILE 4 -7.065 1.428 -6.838
24 HD11 ILE 4 3HD1 ILE 4 -6.873 4.946 -6.516
25 HD12 ILE 4 1HD1 ILE 4 -8.054 4.923 -5.207
26 HD13 ILE 4 2HD1 ILE 4 -7.944 3.559 -6.321
27 H GLY 5 H GLY 5 -8.000 0.029 -2.520
28 HA2 GLY 5 2HA GLY 5 -8.413 -2.240 -2.350
29 HA3 GLY 5 1HA GLY 5 -8.707 -2.281 -4.082
30 H LEU 6 H LEU 6 -5.833 -0.725 -3.715
31 HA LEU 6 HA LEU 6 -4.219 -3.161 -3.535
32 HG LEU 6 HG LEU 6 -1.852 -2.186 -5.397
33 HB2 LEU 6 2HB LEU 6 -4.761 -2.821 -5.921
34 HB3 LEU 6 1HB LEU 6 -4.062 -1.216 -5.840
35 HD11 LEU 6 1HD1 LEU 6 -1.753 -4.744 -5.888
36 HD12 LEU 6 2HD1 LEU 6 -3.429 -4.717 -5.341
37 HD13 LEU 6 3HD1 LEU 6 -2.143 -4.169 -4.266
38 HD21 LEU 6 3HD2 LEU 6 -2.719 -3.744 -7.745
39 HD22 LEU 6 1HD2 LEU 6 -1.424 -2.558 -7.580
40 HD23 LEU 6 2HD2 LEU 6 -3.092 -2.021 -7.771
41 H ALA 7 H ALA 7 -4.672 -0.723 -1.891
42 HA ALA 7 HA ALA 7 -2.072 0.608 -2.048
43 HB1 ALA 7 3HB ALA 7 -4.683 1.253 -0.792
44 HB2 ALA 7 1HB ALA 7 -3.598 2.270 -1.740
45 HB3 ALA 7 2HB ALA 7 -3.220 1.908 -0.055
46 H TRP 8 H TRP 8 -1.781 -1.980 -1.336
47 HA TRP 8 HA TRP 8 -1.122 -1.814 1.537
48 HD1 TRP 8 HD TRP 8 -3.722 -3.466 -1.404
49 HE1 TRP 8 1HE TRP 8 -3.373 -5.325 -3.150
50 HE3 TRP 8 3HE TRP 8 0.008 -6.068 0.923
51 HZ2 TRP 8 2HZ TRP 8 -1.715 -7.584 -3.504
52 HZ3 TRP 8 3HZ TRP 8 0.938 -8.053 -0.192
53 HH2 TRP 8 HH TRP 8 0.090 -8.794 -2.360
54 HB2 TRP 8 2HB TRP 8 -1.507 -4.266 1.664
55 HB3 TRP 8 1HB TRP 8 -2.979 -3.375 1.253
56 H ILE 9 H ILE 9 -0.347 -3.016 -1.645
57 HA ILE 9 HA ILE 9 1.985 -4.427 -1.035
58 HB ILE 9 HB ILE 9 0.849 -4.707 -3.149
59 HG12 ILE 9 2HG1 ILE 9 3.680 -3.674 -3.374
60 HG13 ILE 9 1HG1 ILE 9 3.174 -5.335 -3.079
61 HG21 ILE 9 1HG2 ILE 9 1.864 -1.989 -3.949
62 HG22 ILE 9 2HG2 ILE 9 0.218 -2.296 -3.393
63 HG23 ILE 9 3HG2 ILE 9 0.807 -3.066 -4.865
64 HD11 ILE 9 3HD1 ILE 9 3.119 -5.731 -5.248
65 HD12 ILE 9 1HD1 ILE 9 3.676 -4.085 -5.547
66 HD13 ILE 9 2HD1 ILE 9 1.947 -4.431 -5.476
67 HA PRO 10 HA PRO 10 4.090 0.007 -2.299
68 HB2 PRO 10 2HB PRO 10 2.988 1.597 -0.199
69 HB3 PRO 10 1HB PRO 10 2.836 1.853 -1.938
70 HG2 PRO 10 2HG PRO 10 0.969 0.520 -0.051
71 HG3 PRO 10 1HG PRO 10 0.613 1.438 -1.528
72 HD2 PRO 10 2HD PRO 10 0.388 -1.201 -1.501
73 HD3 PRO 10 1HD PRO 10 1.099 -0.388 -2.911
74 H TYR 11 H TYR 11 3.034 -1.439 0.696
75 HA TYR 11 HA TYR 11 5.082 -0.582 2.402
76 HD1 TYR 11 1HD TYR 11 1.768 -0.929 1.848
77 HD2 TYR 11 2HD TYR 11 3.644 -1.816 5.563
78 HE1 TYR 11 1HE TYR 11 0.065 0.396 3.016
79 HE2 TYR 11 2HE TYR 11 1.941 -0.492 6.742
80 HH TYR 11 HH TYR 11 0.360 1.272 6.315
81 HB2 TYR 11 2HB TYR 11 3.385 -3.075 2.363
82 HB3 TYR 11 1HB TYR 11 4.531 -2.728 3.655
83 H PHE 12 H PHE 12 4.796 -3.458 0.345
84 HA PHE 12 HA PHE 12 7.418 -4.417 1.018
85 HD1 PHE 12 1HD PHE 12 7.063 -6.510 1.968
86 HD2 PHE 12 2HD PHE 12 3.586 -6.193 -0.466
87 HE1 PHE 12 1HE PHE 12 5.786 -7.797 3.631
88 HE2 PHE 12 2HE PHE 12 2.302 -7.478 1.192
89 HZ PHE 12 HZ PHE 12 3.403 -8.282 3.246
90 HB2 PHE 12 2HB PHE 12 5.529 -5.245 -1.197
91 HB3 PHE 12 1HB PHE 12 6.998 -6.107 -0.735
92 H GLY 13 H GLY 13 6.105 -2.264 -1.351
93 HA2 GLY 13 2HA GLY 13 7.997 -2.484 -3.395
94 HA3 GLY 13 1HA GLY 13 7.093 -1.028 -3.014
95 HA PRO 14 HA PRO 14 11.076 0.736 -2.099
96 HB2 PRO 14 2HB PRO 14 10.211 2.968 -0.782
97 HB3 PRO 14 1HB PRO 14 10.190 2.803 -2.545
98 HG2 PRO 14 2HG PRO 14 7.963 2.424 -0.578
99 HG3 PRO 14 1HG PRO 14 7.940 3.242 -2.153
100 HD2 PRO 14 2HD PRO 14 6.989 0.742 -1.831
101 HD3 PRO 14 1HD PRO 14 7.801 1.253 -3.325
102 H ALA 15 H ALA 15 12.102 1.853 -0.068
103 HA ALA 15 HA ALA 15 11.764 -0.020 2.127
104 HB1 ALA 15 3HB ALA 15 13.909 0.426 2.689
105 HB2 ALA 15 1HB ALA 15 13.760 2.147 2.334
106 HB3 ALA 15 2HB ALA 15 13.984 0.993 1.020
107 H ALA 16 H ALA 16 9.689 0.775 2.833
108 HA ALA 16 HA ALA 16 9.920 3.233 4.443
109 HB1 ALA 16 3HB ALA 16 7.941 4.040 3.717
110 HB2 ALA 16 1HB ALA 16 7.220 2.438 3.560
111 HB3 ALA 16 2HB ALA 16 8.301 3.046 2.304