Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
635920 | 6qb0 RC | 34342 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H LEU 1 -0.403 -8.158 -0.660
2 HA LEU 1 HA LEU 1 0.735 -5.517 -0.025
3 HB2 LEU 1 2HB LEU 1 -1.933 -6.347 -0.241
4 HB3 LEU 1 3HB LEU 1 -1.630 -6.154 1.484
5 HG LEU 1 HG LEU 1 -0.581 -3.844 0.446
6 HD11 LEU 1 1HD1 LEU 1 -2.963 -4.664 -1.196
7 HD12 LEU 1 2HD1 LEU 1 -1.373 -4.152 -1.761
8 HD13 LEU 1 3HD1 LEU 1 -2.456 -2.986 -1.002
9 HD21 LEU 1 1HD2 LEU 1 -3.469 -3.995 1.202
10 HD22 LEU 1 2HD2 LEU 1 -2.257 -2.789 1.635
11 HD23 LEU 1 3HD2 LEU 1 -2.223 -4.385 2.388
12 H GLY 2 H GLY 2 2.360 -5.827 1.376
13 HA2 GLY 2 2HA GLY 2 1.728 -7.137 3.910
14 HA3 GLY 2 3HA GLY 2 3.081 -7.787 2.996
15 H GLN 3 H GLN 3 4.753 -6.119 2.340
16 HA GLN 3 HA GLN 3 6.347 -4.614 2.946
17 HB2 GLN 3 2HB GLN 3 3.809 -3.355 3.777
18 HB3 GLN 3 3HB GLN 3 5.255 -2.716 4.548
19 HG2 GLN 3 2HG GLN 3 6.217 -2.162 2.430
20 HG3 GLN 3 3HG GLN 3 4.909 -2.974 1.572
21 HE21 GLN 3 1HE2 GLN 3 4.675 -0.923 0.475
22 HE22 GLN 3 2HE2 GLN 3 3.748 0.333 1.214
23 H GLN 4 H GLN 4 7.044 -6.559 4.250
24 HA GLN 4 HA GLN 4 7.924 -5.717 6.790
25 HB2 GLN 4 2HB GLN 4 5.516 -6.236 7.307
26 HB3 GLN 4 3HB GLN 4 5.854 -7.913 6.900
27 HG2 GLN 4 2HG GLN 4 6.232 -8.109 9.096
28 HG3 GLN 4 3HG GLN 4 7.814 -7.448 8.687
29 HE21 GLN 4 1HE2 GLN 4 8.049 -5.097 8.848
30 HE22 GLN 4 2HE2 GLN 4 7.183 -4.263 10.088
31 H GLN 5 H GLN 5 9.607 -6.467 5.102
32 HA GLN 5 HA GLN 5 10.073 -9.095 4.433
33 HB2 GLN 5 2HB GLN 5 11.493 -6.697 4.284
34 HB3 GLN 5 3HB GLN 5 12.544 -7.778 5.189
35 HG2 GLN 5 2HG GLN 5 13.135 -8.830 3.341
36 HG3 GLN 5 3HG GLN 5 11.451 -9.170 2.946
37 HE21 GLN 5 1HE2 GLN 5 13.585 -6.330 3.011
38 HE22 GLN 5 2HE2 GLN 5 13.140 -5.749 1.446
39 H ALA 6 H ALA 6 10.656 -7.473 7.486
40 HA ALA 6 HA ALA 6 11.153 -8.259 9.564
41 HB1 ALA 6 1HB ALA 6 10.692 -11.059 8.601
42 HB2 ALA 6 2HB ALA 6 10.375 -10.362 10.190
43 HB3 ALA 6 3HB ALA 6 9.350 -9.936 8.820
44 H PHE 7 H PHE 7 13.363 -7.577 8.913
45 HA PHE 7 HA PHE 7 15.277 -9.461 8.015
46 HB2 PHE 7 2HB PHE 7 15.224 -6.700 8.590
47 HB3 PHE 7 3HB PHE 7 16.482 -7.389 9.611
48 HD1 PHE 7 HD1 PHE 7 15.573 -6.360 6.303
49 HD2 PHE 7 HD2 PHE 7 18.306 -8.748 8.527
50 HE1 PHE 7 HE1 PHE 7 17.110 -6.385 4.381
51 HE2 PHE 7 HE2 PHE 7 19.847 -8.776 6.610
52 HZ PHE 7 HZ PHE 7 19.250 -7.593 4.534
53 HA PRO 8 HA PRO 8 16.599 -9.782 12.651
54 HB2 PRO 8 2HB PRO 8 14.944 -8.679 14.498
55 HB3 PRO 8 3HB PRO 8 16.262 -7.784 13.733
56 HG2 PRO 8 2HG PRO 8 13.340 -7.775 13.084
57 HG3 PRO 8 3HG PRO 8 14.467 -6.410 13.184
58 HD2 PRO 8 2HD PRO 8 13.717 -7.510 10.826
59 HD3 PRO 8 3HD PRO 8 15.325 -6.802 11.081
60 HA PRO 9 HA PRO 9 14.109 -13.255 13.688
61 HB2 PRO 9 2HB PRO 9 14.628 -13.599 16.330
62 HB3 PRO 9 3HB PRO 9 15.810 -13.955 15.065
63 HG2 PRO 9 2HG PRO 9 15.572 -11.532 16.808
64 HG3 PRO 9 3HG PRO 9 17.025 -12.435 16.339
65 HD2 PRO 9 2HD PRO 9 16.303 -10.114 15.145
66 HD3 PRO 9 3HD PRO 9 17.147 -11.412 14.277
67 H GLN 10 H GLN 10 11.954 -12.937 13.585
68 HA GLN 10 HA GLN 10 10.408 -12.653 15.892
69 HB2 GLN 10 2HB GLN 10 11.012 -10.354 16.002
70 HB3 GLN 10 3HB GLN 10 10.755 -10.132 14.277
71 HG2 GLN 10 2HG GLN 10 8.539 -9.843 14.506
72 HG3 GLN 10 3HG GLN 10 8.408 -11.035 15.798
73 HE21 GLN 10 1HE2 GLN 10 7.352 -8.271 15.496
74 HE22 GLN 10 2HE2 GLN 10 7.874 -7.435 16.914
75 H GLN 11 H GLN 11 9.381 -14.405 14.914
76 HA GLN 11 HA GLN 11 7.260 -13.687 13.103
77 HB2 GLN 11 2HB GLN 11 9.064 -14.125 11.513
78 HB3 GLN 11 3HB GLN 11 9.349 -15.697 12.248
79 HG2 GLN 11 2HG GLN 11 7.945 -16.559 10.775
80 HG3 GLN 11 3HG GLN 11 6.645 -15.690 11.589
81 HE21 GLN 11 1HE2 GLN 11 9.255 -15.017 9.277
82 HE22 GLN 11 2HE2 GLN 11 8.292 -14.061 8.208
83 HA PRO 12 HA PRO 12 6.333 -17.004 16.227
84 HB2 PRO 12 2HB PRO 12 4.101 -15.800 17.195
85 HB3 PRO 12 3HB PRO 12 5.722 -15.457 17.812
86 HG2 PRO 12 2HG PRO 12 4.074 -13.906 15.853
87 HG3 PRO 12 3HG PRO 12 5.058 -13.313 17.203
88 HD2 PRO 12 2HD PRO 12 5.918 -13.249 14.636
89 HD3 PRO 12 3HD PRO 12 7.022 -13.476 16.008
90 H TYR 13 H TYR 13 5.472 -18.692 15.191
91 HA TYR 13 HA TYR 13 2.788 -18.429 14.066
92 HB2 TYR 13 2HB TYR 13 4.757 -18.249 12.313
93 HB3 TYR 13 3HB TYR 13 4.783 -20.000 12.488
94 HD1 TYR 13 HD1 TYR 13 3.642 -17.556 10.427
95 HD2 TYR 13 HD2 TYR 13 2.151 -20.926 12.554
96 HE1 TYR 13 HE1 TYR 13 1.783 -17.736 8.826
97 HE2 TYR 13 HE2 TYR 13 0.289 -21.116 10.959
98 HH TYR 13 HH TYR 13 -0.806 -18.915 9.140
Start of MODEL 2
1 H1 LEU 1 H LEU 1 1.807 0.000 0.855
2 HA LEU 1 HA LEU 1 1.590 -0.652 -1.941
3 HB2 LEU 1 2HB LEU 1 1.159 1.831 -1.777
4 HB3 LEU 1 3HB LEU 1 2.821 1.997 -1.214
5 HG LEU 1 HG LEU 1 2.645 0.529 -3.718
6 HD11 LEU 1 1HD1 LEU 1 0.916 1.757 -4.533
7 HD12 LEU 1 2HD1 LEU 1 2.229 2.882 -4.874
8 HD13 LEU 1 3HD1 LEU 1 1.218 3.114 -3.448
9 HD21 LEU 1 1HD2 LEU 1 4.754 1.266 -3.319
10 HD22 LEU 1 2HD2 LEU 1 4.210 2.717 -2.476
11 HD23 LEU 1 3HD2 LEU 1 4.168 2.652 -4.239
12 H GLY 2 H GLY 2 2.854 -2.416 -1.100
13 HA2 GLY 2 2HA GLY 2 5.577 -2.227 -1.612
14 HA3 GLY 2 3HA GLY 2 5.386 -2.031 0.123
15 H GLN 3 H GLN 3 3.501 -3.766 0.845
16 HA GLN 3 HA GLN 3 3.116 -5.949 1.351
17 HB2 GLN 3 2HB GLN 3 3.660 -5.964 -1.551
18 HB3 GLN 3 3HB GLN 3 3.832 -7.518 -0.744
19 HG2 GLN 3 2HG GLN 3 1.574 -7.433 0.040
20 HG3 GLN 3 3HG GLN 3 1.383 -5.783 -0.550
21 HE21 GLN 3 1HE2 GLN 3 0.459 -8.781 -1.159
22 HE22 GLN 3 2HE2 GLN 3 0.321 -8.744 -2.880
23 H GLN 4 H GLN 4 5.035 -5.486 2.789
24 HA GLN 4 HA GLN 4 6.757 -7.715 2.800
25 HB2 GLN 4 2HB GLN 4 7.808 -6.355 0.961
26 HB3 GLN 4 3HB GLN 4 8.156 -5.117 2.161
27 HG2 GLN 4 2HG GLN 4 9.505 -6.739 3.418
28 HG3 GLN 4 3HG GLN 4 9.190 -7.943 2.170
29 HE21 GLN 4 1HE2 GLN 4 9.753 -7.161 -0.093
30 HE22 GLN 4 2HE2 GLN 4 11.259 -6.331 -0.259
31 H GLN 5 H GLN 5 5.452 -7.363 4.842
32 HA GLN 5 HA GLN 5 5.873 -5.356 6.677
33 HB2 GLN 5 2HB GLN 5 4.626 -7.854 6.675
34 HB3 GLN 5 3HB GLN 5 5.791 -7.941 7.989
35 HG2 GLN 5 2HG GLN 5 4.648 -6.508 9.272
36 HG3 GLN 5 3HG GLN 5 4.224 -5.469 7.913
37 HE21 GLN 5 1HE2 GLN 5 3.097 -7.693 10.135
38 HE22 GLN 5 2HE2 GLN 5 1.565 -8.035 9.413
39 H ALA 6 H ALA 6 7.775 -8.323 6.240
40 HA ALA 6 HA ALA 6 9.899 -8.874 6.845
41 HB1 ALA 6 1HB ALA 6 11.293 -6.651 7.483
42 HB2 ALA 6 2HB ALA 6 11.010 -7.198 5.830
43 HB3 ALA 6 3HB ALA 6 9.983 -5.949 6.533
44 H PHE 7 H PHE 7 8.749 -9.782 8.757
45 HA PHE 7 HA PHE 7 8.465 -8.551 11.207
46 HB2 PHE 7 2HB PHE 7 8.863 -10.899 12.157
47 HB3 PHE 7 3HB PHE 7 7.555 -10.714 10.994
48 HD1 PHE 7 HD1 PHE 7 7.387 -12.276 9.326
49 HD2 PHE 7 HD2 PHE 7 11.203 -11.497 11.043
50 HE1 PHE 7 HE1 PHE 7 8.371 -14.052 7.936
51 HE2 PHE 7 HE2 PHE 7 12.194 -13.270 9.655
52 HZ PHE 7 HZ PHE 7 10.778 -14.550 8.098
53 HA PRO 8 HA PRO 8 12.448 -7.814 12.892
54 HB2 PRO 8 2HB PRO 8 12.096 -8.455 15.507
55 HB3 PRO 8 3HB PRO 8 11.396 -7.009 14.769
56 HG2 PRO 8 2HG PRO 8 10.113 -9.652 15.345
57 HG3 PRO 8 3HG PRO 8 9.469 -8.018 15.591
58 HD2 PRO 8 2HD PRO 8 8.780 -9.551 13.468
59 HD3 PRO 8 3HD PRO 8 8.879 -7.780 13.376
60 HA PRO 9 HA PRO 9 14.920 -11.439 13.180
61 HB2 PRO 9 2HB PRO 9 16.808 -10.736 15.000
62 HB3 PRO 9 3HB PRO 9 16.755 -10.069 13.363
63 HG2 PRO 9 2HG PRO 9 15.773 -8.877 15.928
64 HG3 PRO 9 3HG PRO 9 16.667 -8.105 14.605
65 HD2 PRO 9 2HD PRO 9 13.989 -7.839 14.903
66 HD3 PRO 9 3HD PRO 9 14.776 -7.843 13.312
67 H GLN 10 H GLN 10 15.574 -13.219 14.527
68 HA GLN 10 HA GLN 10 15.100 -14.834 16.063
69 HB2 GLN 10 2HB GLN 10 16.503 -13.444 17.464
70 HB3 GLN 10 3HB GLN 10 15.139 -12.409 17.864
71 HG2 GLN 10 2HG GLN 10 14.179 -13.986 19.255
72 HG3 GLN 10 3HG GLN 10 15.058 -15.322 18.513
73 HE21 GLN 10 1HE2 GLN 10 15.199 -12.701 20.783
74 HE22 GLN 10 2HE2 GLN 10 16.667 -13.180 21.557
75 H GLN 11 H GLN 11 13.017 -15.186 15.030
76 HA GLN 11 HA GLN 11 10.903 -15.277 16.891
77 HB2 GLN 11 2HB GLN 11 10.958 -12.804 16.118
78 HB3 GLN 11 3HB GLN 11 10.280 -13.418 14.615
79 HG2 GLN 11 2HG GLN 11 8.252 -13.666 15.500
80 HG3 GLN 11 3HG GLN 11 8.886 -14.385 16.980
81 HE21 GLN 11 1HE2 GLN 11 9.023 -13.176 18.774
82 HE22 GLN 11 2HE2 GLN 11 8.616 -11.500 18.864
83 HA PRO 12 HA PRO 12 10.800 -18.161 13.236
84 HB2 PRO 12 2HB PRO 12 10.770 -20.434 14.720
85 HB3 PRO 12 3HB PRO 12 12.264 -19.627 14.228
86 HG2 PRO 12 2HG PRO 12 10.818 -19.503 16.847
87 HG3 PRO 12 3HG PRO 12 12.557 -19.652 16.535
88 HD2 PRO 12 2HD PRO 12 11.393 -17.300 17.198
89 HD3 PRO 12 3HD PRO 12 12.806 -17.397 16.128
90 H TYR 13 H TYR 13 8.942 -18.946 12.395
91 HA TYR 13 HA TYR 13 6.509 -18.593 13.909
92 HB2 TYR 13 2HB TYR 13 6.884 -18.029 11.420
93 HB3 TYR 13 3HB TYR 13 6.679 -19.754 11.138
94 HD1 TYR 13 HD1 TYR 13 4.978 -16.868 12.783
95 HD2 TYR 13 HD2 TYR 13 4.547 -20.595 10.777
96 HE1 TYR 13 HE1 TYR 13 2.537 -16.565 12.757
97 HE2 TYR 13 HE2 TYR 13 2.106 -20.303 10.745
98 HH TYR 13 HH TYR 13 0.593 -17.344 11.968
Start of MODEL 3
1 H1 LEU 1 H LEU 1 -0.304 -5.703 2.472
2 HA LEU 1 HA LEU 1 1.841 -6.121 3.111
3 HB2 LEU 1 2HB LEU 1 0.291 -7.646 4.835
4 HB3 LEU 1 3HB LEU 1 1.490 -8.779 4.215
5 HG LEU 1 HG LEU 1 3.089 -6.712 4.887
6 HD11 LEU 1 1HD1 LEU 1 1.022 -6.729 7.065
7 HD12 LEU 1 2HD1 LEU 1 1.029 -5.525 5.777
8 HD13 LEU 1 3HD1 LEU 1 2.406 -5.654 6.871
9 HD21 LEU 1 1HD2 LEU 1 3.738 -8.008 6.772
10 HD22 LEU 1 2HD2 LEU 1 3.221 -9.138 5.519
11 HD23 LEU 1 3HD2 LEU 1 2.151 -8.771 6.874
12 H GLY 2 H GLY 2 3.700 -7.371 2.491
13 HA2 GLY 2 2HA GLY 2 3.375 -9.724 0.868
14 HA3 GLY 2 3HA GLY 2 3.750 -8.289 -0.074
15 H GLN 3 H GLN 3 4.947 -8.980 3.165
16 HA GLN 3 HA GLN 3 7.047 -9.269 3.987
17 HB2 GLN 3 2HB GLN 3 7.059 -10.753 1.434
18 HB3 GLN 3 3HB GLN 3 8.645 -10.336 2.071
19 HG2 GLN 3 2HG GLN 3 8.200 -11.494 4.115
20 HG3 GLN 3 3HG GLN 3 6.523 -11.770 3.647
21 HE21 GLN 3 1HE2 GLN 3 7.295 -14.004 4.212
22 HE22 GLN 3 2HE2 GLN 3 7.953 -14.952 2.925
23 H GLN 4 H GLN 4 6.968 -6.835 3.799
24 HA GLN 4 HA GLN 4 9.458 -5.884 2.890
25 HB2 GLN 4 2HB GLN 4 8.238 -6.090 0.698
26 HB3 GLN 4 3HB GLN 4 7.119 -4.864 1.277
27 HG2 GLN 4 2HG GLN 4 8.869 -3.968 -0.204
28 HG3 GLN 4 3HG GLN 4 8.873 -3.236 1.400
29 HE21 GLN 4 1HE2 GLN 4 11.019 -2.585 1.145
30 HE22 GLN 4 2HE2 GLN 4 12.330 -3.704 1.258
31 H GLN 5 H GLN 5 9.354 -5.214 5.092
32 HA GLN 5 HA GLN 5 8.696 -2.532 5.473
33 HB2 GLN 5 2HB GLN 5 6.414 -4.095 5.599
34 HB3 GLN 5 3HB GLN 5 6.860 -3.890 7.288
35 HG2 GLN 5 2HG GLN 5 6.322 -1.714 7.304
36 HG3 GLN 5 3HG GLN 5 6.949 -1.439 5.679
37 HE21 GLN 5 1HE2 GLN 5 5.427 -0.722 4.388
38 HE22 GLN 5 2HE2 GLN 5 3.780 -1.245 4.357
39 H ALA 6 H ALA 6 10.798 -4.407 6.016
40 HA ALA 6 HA ALA 6 12.362 -4.838 7.613
41 HB1 ALA 6 1HB ALA 6 12.661 -2.753 8.403
42 HB2 ALA 6 2HB ALA 6 10.934 -2.478 8.634
43 HB3 ALA 6 3HB ALA 6 11.849 -3.390 9.834
44 H PHE 7 H PHE 7 11.230 -6.964 7.655
45 HA PHE 7 HA PHE 7 9.298 -7.728 9.469
46 HB2 PHE 7 2HB PHE 7 9.959 -9.950 9.086
47 HB3 PHE 7 3HB PHE 7 10.446 -9.104 7.620
48 HD1 PHE 7 HD1 PHE 7 12.936 -7.977 7.989
49 HD2 PHE 7 HD2 PHE 7 11.444 -11.543 9.771
50 HE1 PHE 7 HE1 PHE 7 15.239 -8.789 8.284
51 HE2 PHE 7 HE2 PHE 7 13.745 -12.360 10.069
52 HZ PHE 7 HZ PHE 7 15.646 -10.983 9.326
53 HA PRO 8 HA PRO 8 11.028 -7.560 13.497
54 HB2 PRO 8 2HB PRO 8 9.925 -9.750 14.663
55 HB3 PRO 8 3HB PRO 8 8.997 -8.295 14.281
56 HG2 PRO 8 2HG PRO 8 9.195 -10.869 12.764
57 HG3 PRO 8 3HG PRO 8 7.763 -9.882 13.112
58 HD2 PRO 8 2HD PRO 8 9.031 -9.818 10.720
59 HD3 PRO 8 3HD PRO 8 8.217 -8.398 11.407
60 HA PRO 9 HA PRO 9 14.579 -10.112 13.956
61 HB2 PRO 9 2HB PRO 9 14.748 -10.428 16.648
62 HB3 PRO 9 3HB PRO 9 15.102 -8.898 15.836
63 HG2 PRO 9 2HG PRO 9 12.607 -9.760 17.247
64 HG3 PRO 9 3HG PRO 9 13.447 -8.200 17.312
65 HD2 PRO 9 2HD PRO 9 11.241 -8.605 15.796
66 HD3 PRO 9 3HD PRO 9 12.532 -7.482 15.322
67 H GLN 10 H GLN 10 14.024 -12.070 13.006
68 HA GLN 10 HA GLN 10 13.462 -14.273 12.854
69 HB2 GLN 10 2HB GLN 10 15.364 -14.517 14.333
70 HB3 GLN 10 3HB GLN 10 14.363 -14.170 15.737
71 HG2 GLN 10 2HG GLN 10 13.617 -16.268 15.875
72 HG3 GLN 10 3HG GLN 10 13.407 -16.412 14.131
73 HE21 GLN 10 1HE2 GLN 10 14.387 -18.286 13.697
74 HE22 GLN 10 2HE2 GLN 10 16.037 -18.649 14.057
75 H GLN 11 H GLN 11 11.209 -13.664 12.566
76 HA GLN 11 HA GLN 11 9.492 -15.126 14.287
77 HB2 GLN 11 2HB GLN 11 9.953 -12.821 15.454
78 HB3 GLN 11 3HB GLN 11 8.803 -12.213 14.270
79 HG2 GLN 11 2HG GLN 11 7.504 -14.402 15.258
80 HG3 GLN 11 3HG GLN 11 8.363 -13.802 16.676
81 HE21 GLN 11 1HE2 GLN 11 6.494 -12.515 13.944
82 HE22 GLN 11 2HE2 GLN 11 5.578 -11.389 14.881
83 HA PRO 12 HA PRO 12 8.136 -14.410 9.893
84 HB2 PRO 12 2HB PRO 12 7.869 -17.044 9.291
85 HB3 PRO 12 3HB PRO 12 9.396 -16.169 9.120
86 HG2 PRO 12 2HG PRO 12 8.480 -17.967 11.332
87 HG3 PRO 12 3HG PRO 12 10.067 -17.881 10.544
88 HD2 PRO 12 2HD PRO 12 9.570 -16.737 12.947
89 HD3 PRO 12 3HD PRO 12 10.724 -16.053 11.784
90 H TYR 13 H TYR 13 6.039 -14.110 9.466
91 HA TYR 13 HA TYR 13 4.066 -15.397 11.211
92 HB2 TYR 13 2HB TYR 13 4.328 -12.784 10.595
93 HB3 TYR 13 3HB TYR 13 3.218 -13.277 9.321
94 HD1 TYR 13 HD1 TYR 13 1.025 -12.787 9.805
95 HD2 TYR 13 HD2 TYR 13 3.580 -14.031 12.971
96 HE1 TYR 13 HE1 TYR 13 -0.858 -12.628 11.379
97 HE2 TYR 13 HE2 TYR 13 1.704 -13.876 14.554
98 HH TYR 13 HH TYR 13 -0.849 -13.993 14.400
Start of MODEL 4
1 H1 LEU 1 H LEU 1 0.115 0.810 0.768
2 HA LEU 1 HA LEU 1 1.868 0.227 -0.911
3 HB2 LEU 1 2HB LEU 1 3.151 2.500 0.566
4 HB3 LEU 1 3HB LEU 1 4.117 1.305 -0.297
5 HG LEU 1 HG LEU 1 2.605 1.961 -2.323
6 HD11 LEU 1 1HD1 LEU 1 2.254 4.556 -2.024
7 HD12 LEU 1 2HD1 LEU 1 2.073 4.102 -0.330
8 HD13 LEU 1 3HD1 LEU 1 1.011 3.399 -1.549
9 HD21 LEU 1 1HD2 LEU 1 4.188 3.917 -2.753
10 HD22 LEU 1 2HD2 LEU 1 4.914 2.336 -2.462
11 HD23 LEU 1 3HD2 LEU 1 4.885 3.544 -1.177
12 H GLY 2 H GLY 2 3.559 -1.281 -0.407
13 HA2 GLY 2 2HA GLY 2 4.576 -1.787 2.143
14 HA3 GLY 2 3HA GLY 2 3.098 -2.723 1.977
15 H GLN 3 H GLN 3 2.968 -4.254 0.196
16 HA GLN 3 HA GLN 3 3.771 -6.005 -1.013
17 HB2 GLN 3 2HB GLN 3 5.653 -3.805 -1.591
18 HB3 GLN 3 3HB GLN 3 6.253 -5.421 -1.939
19 HG2 GLN 3 2HG GLN 3 4.431 -5.847 -3.429
20 HG3 GLN 3 3HG GLN 3 3.646 -4.336 -2.973
21 HE21 GLN 3 1HE2 GLN 3 6.298 -5.779 -4.713
22 HE22 GLN 3 2HE2 GLN 3 6.687 -4.392 -5.667
23 H GLN 4 H GLN 4 3.879 -6.930 1.246
24 HA GLN 4 HA GLN 4 4.904 -8.253 2.785
25 HB2 GLN 4 2HB GLN 4 5.633 -9.525 0.860
26 HB3 GLN 4 3HB GLN 4 6.975 -8.421 0.591
27 HG2 GLN 4 2HG GLN 4 8.271 -9.597 1.938
28 HG3 GLN 4 3HG GLN 4 7.108 -9.445 3.255
29 HE21 GLN 4 1HE2 GLN 4 8.810 -11.694 2.510
30 HE22 GLN 4 2HE2 GLN 4 7.747 -13.028 2.236
31 H GLN 5 H GLN 5 5.129 -6.353 4.140
32 HA GLN 5 HA GLN 5 7.255 -4.608 4.225
33 HB2 GLN 5 2HB GLN 5 6.644 -4.114 6.448
34 HB3 GLN 5 3HB GLN 5 5.154 -4.623 5.665
35 HG2 GLN 5 2HG GLN 5 5.579 -6.918 6.619
36 HG3 GLN 5 3HG GLN 5 6.857 -6.181 7.584
37 HE21 GLN 5 1HE2 GLN 5 3.580 -6.888 7.386
38 HE22 GLN 5 2HE2 GLN 5 3.035 -5.953 8.733
39 H ALA 6 H ALA 6 7.116 -7.938 5.272
40 HA ALA 6 HA ALA 6 8.730 -9.408 5.919
41 HB1 ALA 6 1HB ALA 6 10.888 -7.469 5.221
42 HB2 ALA 6 2HB ALA 6 10.825 -9.216 4.986
43 HB3 ALA 6 3HB ALA 6 9.884 -8.152 3.941
44 H PHE 7 H PHE 7 7.884 -8.840 8.095
45 HA PHE 7 HA PHE 7 8.971 -6.985 9.822
46 HB2 PHE 7 2HB PHE 7 8.013 -8.210 11.582
47 HB3 PHE 7 3HB PHE 7 7.015 -8.617 10.191
48 HD1 PHE 7 HD1 PHE 7 8.417 -9.961 12.988
49 HD2 PHE 7 HD2 PHE 7 8.156 -10.705 8.805
50 HE1 PHE 7 HE1 PHE 7 8.844 -12.351 13.389
51 HE2 PHE 7 HE2 PHE 7 8.581 -13.095 9.200
52 HZ PHE 7 HZ PHE 7 8.925 -13.922 11.494
53 HA PRO 8 HA PRO 8 13.077 -8.205 10.769
54 HB2 PRO 8 2HB PRO 8 13.249 -7.565 13.402
55 HB3 PRO 8 3HB PRO 8 13.200 -6.350 12.120
56 HG2 PRO 8 2HG PRO 8 10.991 -7.329 13.888
57 HG3 PRO 8 3HG PRO 8 11.376 -5.671 13.393
58 HD2 PRO 8 2HD PRO 8 9.405 -7.118 12.230
59 HD3 PRO 8 3HD PRO 8 10.358 -5.913 11.339
60 HA PRO 9 HA PRO 9 13.315 -12.211 12.565
61 HB2 PRO 9 2HB PRO 9 15.742 -12.181 13.782
62 HB3 PRO 9 3HB PRO 9 15.549 -12.226 12.026
63 HG2 PRO 9 2HG PRO 9 16.129 -9.893 13.809
64 HG3 PRO 9 3HG PRO 9 16.848 -10.310 12.242
65 HD2 PRO 9 2HD PRO 9 14.910 -8.436 12.503
66 HD3 PRO 9 3HD PRO 9 15.068 -9.451 11.055
67 H GLN 10 H GLN 10 12.351 -13.075 14.287
68 HA GLN 10 HA GLN 10 13.091 -12.667 16.948
69 HB2 GLN 10 2HB GLN 10 12.198 -10.464 16.848
70 HB3 GLN 10 3HB GLN 10 10.752 -11.013 16.012
71 HG2 GLN 10 2HG GLN 10 9.842 -11.947 17.941
72 HG3 GLN 10 3HG GLN 10 11.395 -11.962 18.776
73 HE21 GLN 10 1HE2 GLN 10 8.702 -10.773 19.390
74 HE22 GLN 10 2HE2 GLN 10 9.039 -9.124 19.778
75 H GLN 11 H GLN 11 12.885 -14.916 16.893
76 HA GLN 11 HA GLN 11 11.858 -16.921 17.203
77 HB2 GLN 11 2HB GLN 11 10.753 -15.575 19.024
78 HB3 GLN 11 3HB GLN 11 9.409 -15.308 17.921
79 HG2 GLN 11 2HG GLN 11 8.562 -17.118 18.934
80 HG3 GLN 11 3HG GLN 11 9.589 -17.986 17.795
81 HE21 GLN 11 1HE2 GLN 11 11.899 -18.279 18.623
82 HE22 GLN 11 2HE2 GLN 11 12.050 -18.803 20.263
83 HA PRO 12 HA PRO 12 9.808 -16.474 13.038
84 HB2 PRO 12 2HB PRO 12 11.488 -18.173 11.750
85 HB3 PRO 12 3HB PRO 12 11.820 -16.446 11.930
86 HG2 PRO 12 2HG PRO 12 12.876 -18.753 13.519
87 HG3 PRO 12 3HG PRO 12 13.738 -17.331 12.904
88 HD2 PRO 12 2HD PRO 12 12.924 -17.540 15.478
89 HD3 PRO 12 3HD PRO 12 13.004 -15.985 14.625
90 H TYR 13 H TYR 13 7.991 -17.641 13.074
91 HA TYR 13 HA TYR 13 8.180 -20.520 13.670
92 HB2 TYR 13 2HB TYR 13 6.605 -18.604 14.897
93 HB3 TYR 13 3HB TYR 13 5.496 -19.371 13.766
94 HD1 TYR 13 HD1 TYR 13 4.349 -21.244 14.474
95 HD2 TYR 13 HD2 TYR 13 8.074 -20.311 16.305
96 HE1 TYR 13 HE1 TYR 13 4.044 -23.119 16.037
97 HE2 TYR 13 HE2 TYR 13 7.781 -22.183 17.871
98 HH TYR 13 HH TYR 13 4.807 -23.857 18.198
Start of MODEL 5
1 H1 LEU 1 H LEU 1 4.873 -10.961 5.925
2 HA LEU 1 HA LEU 1 4.716 -9.343 4.219
3 HB2 LEU 1 2HB LEU 1 1.946 -10.144 4.479
4 HB3 LEU 1 3HB LEU 1 2.104 -8.397 4.308
5 HG LEU 1 HG LEU 1 3.672 -9.140 2.284
6 HD11 LEU 1 1HD1 LEU 1 3.557 -11.465 2.423
7 HD12 LEU 1 2HD1 LEU 1 2.403 -11.058 1.154
8 HD13 LEU 1 3HD1 LEU 1 1.829 -11.453 2.774
9 HD21 LEU 1 1HD2 LEU 1 1.574 -9.018 0.853
10 HD22 LEU 1 2HD2 LEU 1 1.889 -7.652 1.924
11 HD23 LEU 1 3HD2 LEU 1 0.682 -8.860 2.366
12 H GLY 2 H GLY 2 5.840 -7.815 5.275
13 HA2 GLY 2 2HA GLY 2 4.576 -6.421 7.528
14 HA3 GLY 2 3HA GLY 2 6.286 -6.382 7.120
15 H GLN 3 H GLN 3 5.892 -5.825 4.317
16 HA GLN 3 HA GLN 3 5.732 -4.046 2.910
17 HB2 GLN 3 2HB GLN 3 3.337 -3.830 4.623
18 HB3 GLN 3 3HB GLN 3 3.798 -2.355 3.782
19 HG2 GLN 3 2HG GLN 3 3.643 -3.443 1.657
20 HG3 GLN 3 3HG GLN 3 3.390 -5.009 2.427
21 HE21 GLN 3 1HE2 GLN 3 1.549 -4.650 0.753
22 HE22 GLN 3 2HE2 GLN 3 0.075 -4.041 1.417
23 H GLN 4 H GLN 4 7.865 -3.568 4.001
24 HA GLN 4 HA GLN 4 8.069 -0.801 4.484
25 HB2 GLN 4 2HB GLN 4 7.117 -1.565 6.686
26 HB3 GLN 4 3HB GLN 4 8.591 -2.492 6.931
27 HG2 GLN 4 2HG GLN 4 9.907 -0.450 6.867
28 HG3 GLN 4 3HG GLN 4 8.446 0.493 6.574
29 HE21 GLN 4 1HE2 GLN 4 10.584 -0.374 8.872
30 HE22 GLN 4 2HE2 GLN 4 9.599 -0.210 10.281
31 H GLN 5 H GLN 5 9.469 -1.673 2.676
32 HA GLN 5 HA GLN 5 11.507 -2.207 1.806
33 HB2 GLN 5 2HB GLN 5 11.887 -0.158 3.434
34 HB3 GLN 5 3HB GLN 5 12.828 -1.338 4.338
35 HG2 GLN 5 2HG GLN 5 14.022 -1.800 2.122
36 HG3 GLN 5 3HG GLN 5 13.294 -0.291 1.573
37 HE21 GLN 5 1HE2 GLN 5 15.562 -1.751 3.770
38 HE22 GLN 5 2HE2 GLN 5 16.392 -0.297 4.198
39 H ALA 6 H ALA 6 10.316 -4.420 2.787
40 HA ALA 6 HA ALA 6 10.739 -6.581 3.368
41 HB1 ALA 6 1HB ALA 6 12.850 -5.977 1.980
42 HB2 ALA 6 2HB ALA 6 13.667 -6.011 3.543
43 HB3 ALA 6 3HB ALA 6 12.837 -7.450 2.950
44 H PHE 7 H PHE 7 9.704 -5.867 5.415
45 HA PHE 7 HA PHE 7 11.020 -5.061 7.700
46 HB2 PHE 7 2HB PHE 7 9.130 -5.749 8.912
47 HB3 PHE 7 3HB PHE 7 8.502 -5.424 7.300
48 HD1 PHE 7 HD1 PHE 7 8.200 -7.570 9.924
49 HD2 PHE 7 HD2 PHE 7 8.817 -7.654 5.714
50 HE1 PHE 7 HE1 PHE 7 7.266 -9.845 9.836
51 HE2 PHE 7 HE2 PHE 7 7.884 -9.928 5.619
52 HZ PHE 7 HZ PHE 7 7.105 -11.026 7.681
53 HA PRO 8 HA PRO 8 13.534 -8.372 9.099
54 HB2 PRO 8 2HB PRO 8 13.243 -8.188 11.792
55 HB3 PRO 8 3HB PRO 8 14.163 -7.014 10.843
56 HG2 PRO 8 2HG PRO 8 11.361 -6.831 11.882
57 HG3 PRO 8 3HG PRO 8 12.633 -5.595 11.869
58 HD2 PRO 8 2HD PRO 8 10.629 -5.642 10.049
59 HD3 PRO 8 3HD PRO 8 12.258 -5.052 9.661
60 HA PRO 9 HA PRO 9 11.254 -12.040 9.924
61 HB2 PRO 9 2HB PRO 9 12.921 -13.432 11.552
62 HB3 PRO 9 3HB PRO 9 13.239 -13.193 9.830
63 HG2 PRO 9 2HG PRO 9 14.357 -11.720 12.184
64 HG3 PRO 9 3HG PRO 9 15.188 -12.300 10.729
65 HD2 PRO 9 2HD PRO 9 14.438 -9.718 11.047
66 HD3 PRO 9 3HD PRO 9 14.481 -10.511 9.459
67 H GLN 10 H GLN 10 10.074 -13.242 11.508
68 HA GLN 10 HA GLN 10 10.153 -12.810 14.265
69 HB2 GLN 10 2HB GLN 10 9.459 -10.561 13.922
70 HB3 GLN 10 3HB GLN 10 8.234 -11.042 12.757
71 HG2 GLN 10 2HG GLN 10 6.772 -11.752 14.374
72 HG3 GLN 10 3HG GLN 10 8.051 -12.059 15.548
73 HE21 GLN 10 1HE2 GLN 10 8.170 -10.671 17.149
74 HE22 GLN 10 2HE2 GLN 10 7.625 -9.032 17.125
75 H GLN 11 H GLN 11 9.821 -15.043 14.182
76 HA GLN 11 HA GLN 11 7.090 -15.858 14.280
77 HB2 GLN 11 2HB GLN 11 7.815 -15.816 11.762
78 HB3 GLN 11 3HB GLN 11 8.646 -17.310 12.174
79 HG2 GLN 11 2HG GLN 11 6.586 -18.344 12.831
80 HG3 GLN 11 3HG GLN 11 5.713 -16.826 12.629
81 HE21 GLN 11 1HE2 GLN 11 4.335 -17.310 11.034
82 HE22 GLN 11 2HE2 GLN 11 4.796 -17.855 9.461
83 HA PRO 12 HA PRO 12 10.157 -18.274 16.797
84 HB2 PRO 12 2HB PRO 12 8.821 -17.977 19.141
85 HB3 PRO 12 3HB PRO 12 9.998 -16.798 18.551
86 HG2 PRO 12 2HG PRO 12 7.009 -16.733 18.395
87 HG3 PRO 12 3HG PRO 12 8.137 -15.425 18.798
88 HD2 PRO 12 2HD PRO 12 7.017 -15.679 16.346
89 HD3 PRO 12 3HD PRO 12 8.644 -15.012 16.588
90 H TYR 13 H TYR 13 9.348 -20.087 15.559
91 HA TYR 13 HA TYR 13 6.929 -21.367 16.590
92 HB2 TYR 13 2HB TYR 13 7.556 -21.089 14.069
93 HB3 TYR 13 3HB TYR 13 8.597 -22.479 14.358
94 HD1 TYR 13 HD1 TYR 13 5.152 -21.315 14.045
95 HD2 TYR 13 HD2 TYR 13 7.635 -24.666 14.885
96 HE1 TYR 13 HE1 TYR 13 3.230 -22.814 13.717
97 HE2 TYR 13 HE2 TYR 13 5.720 -26.174 14.558
98 HH TYR 13 HH TYR 13 2.756 -25.114 13.198
Start of MODEL 6
1 H1 LEU 1 H LEU 1 9.276 1.570 -1.955
2 HA LEU 1 HA LEU 1 8.272 -1.103 -1.671
3 HB2 LEU 1 2HB LEU 1 8.034 1.446 -0.150
4 HB3 LEU 1 3HB LEU 1 6.861 0.167 0.156
5 HG LEU 1 HG LEU 1 8.970 -1.316 0.517
6 HD11 LEU 1 1HD1 LEU 1 10.972 -0.323 0.950
7 HD12 LEU 1 2HD1 LEU 1 10.238 1.200 1.450
8 HD13 LEU 1 3HD1 LEU 1 10.355 0.798 -0.263
9 HD21 LEU 1 1HD2 LEU 1 8.180 0.795 2.523
10 HD22 LEU 1 2HD2 LEU 1 8.967 -0.743 2.879
11 HD23 LEU 1 3HD2 LEU 1 7.323 -0.720 2.237
12 H GLY 2 H GLY 2 6.014 -1.680 -1.565
13 HA2 GLY 2 2HA GLY 2 3.998 0.085 -2.570
14 HA3 GLY 2 3HA GLY 2 4.532 -1.058 -3.794
15 H GLN 3 H GLN 3 3.075 -0.763 -0.600
16 HA GLN 3 HA GLN 3 1.618 -2.087 0.538
17 HB2 GLN 3 2HB GLN 3 1.114 -2.729 -2.299
18 HB3 GLN 3 3HB GLN 3 0.541 -3.925 -1.143
19 HG2 GLN 3 2HG GLN 3 -0.817 -2.297 -0.035
20 HG3 GLN 3 3HG GLN 3 -0.132 -0.997 -1.009
21 HE21 GLN 3 1HE2 GLN 3 -2.354 -3.645 -0.912
22 HE22 GLN 3 2HE2 GLN 3 -3.143 -3.312 -2.412
23 H GLN 4 H GLN 4 3.745 -2.875 1.444
24 HA GLN 4 HA GLN 4 3.649 -5.672 1.764
25 HB2 GLN 4 2HB GLN 4 4.680 -5.526 -0.528
26 HB3 GLN 4 3HB GLN 4 6.057 -4.720 0.212
27 HG2 GLN 4 2HG GLN 4 6.402 -6.715 1.635
28 HG3 GLN 4 3HG GLN 4 5.097 -7.517 0.763
29 HE21 GLN 4 1HE2 GLN 4 8.279 -6.067 0.414
30 HE22 GLN 4 2HE2 GLN 4 8.745 -6.976 -0.979
31 H GLN 5 H GLN 5 3.553 -4.526 3.865
32 HA GLN 5 HA GLN 5 5.571 -3.047 5.011
33 HB2 GLN 5 2HB GLN 5 3.236 -4.294 5.896
34 HB3 GLN 5 3HB GLN 5 4.508 -4.969 6.905
35 HG2 GLN 5 2HG GLN 5 4.745 -3.083 8.058
36 HG3 GLN 5 3HG GLN 5 4.723 -2.088 6.603
37 HE21 GLN 5 1HE2 GLN 5 2.533 -1.823 5.598
38 HE22 GLN 5 2HE2 GLN 5 1.201 -1.581 6.671
39 H ALA 6 H ALA 6 5.212 -6.591 5.152
40 HA ALA 6 HA ALA 6 6.735 -8.263 5.417
41 HB1 ALA 6 1HB ALA 6 8.772 -8.076 4.357
42 HB2 ALA 6 2HB ALA 6 7.843 -6.802 3.564
43 HB3 ALA 6 3HB ALA 6 8.990 -6.394 4.840
44 H PHE 7 H PHE 7 6.105 -7.999 7.720
45 HA PHE 7 HA PHE 7 7.474 -6.537 9.616
46 HB2 PHE 7 2HB PHE 7 6.546 -7.960 11.238
47 HB3 PHE 7 3HB PHE 7 5.415 -8.058 9.892
48 HD1 PHE 7 HD1 PHE 7 6.284 -9.966 8.099
49 HD2 PHE 7 HD2 PHE 7 6.878 -9.946 12.314
50 HE1 PHE 7 HE1 PHE 7 6.527 -12.415 8.073
51 HE2 PHE 7 HE2 PHE 7 7.123 -12.393 12.295
52 HZ PHE 7 HZ PHE 7 6.948 -13.631 10.173
53 HA PRO 8 HA PRO 8 11.517 -8.196 9.999
54 HB2 PRO 8 2HB PRO 8 11.938 -8.011 12.675
55 HB3 PRO 8 3HB PRO 8 11.900 -6.602 11.608
56 HG2 PRO 8 2HG PRO 8 9.752 -7.691 13.386
57 HG3 PRO 8 3HG PRO 8 10.242 -6.007 13.126
58 HD2 PRO 8 2HD PRO 8 8.072 -7.094 11.926
59 HD3 PRO 8 3HD PRO 8 9.057 -5.834 11.157
60 HA PRO 9 HA PRO 9 11.537 -12.449 11.115
61 HB2 PRO 9 2HB PRO 9 14.040 -12.799 12.107
62 HB3 PRO 9 3HB PRO 9 13.715 -12.542 10.388
63 HG2 PRO 9 2HG PRO 9 14.626 -10.581 12.458
64 HG3 PRO 9 3HG PRO 9 15.188 -10.788 10.789
65 HD2 PRO 9 2HD PRO 9 13.446 -8.844 11.509
66 HD3 PRO 9 3HD PRO 9 13.408 -9.617 9.911
67 H GLN 10 H GLN 10 11.211 -13.865 12.812
68 HA GLN 10 HA GLN 10 11.998 -13.494 15.464
69 HB2 GLN 10 2HB GLN 10 10.583 -11.587 15.606
70 HB3 GLN 10 3HB GLN 10 9.266 -12.416 14.787
71 HG2 GLN 10 2HG GLN 10 8.521 -13.358 16.669
72 HG3 GLN 10 3HG GLN 10 10.146 -13.720 17.250
73 HE21 GLN 10 1HE2 GLN 10 9.259 -13.075 19.324
74 HE22 GLN 10 2HE2 GLN 10 9.224 -11.399 19.741
75 H GLN 11 H GLN 11 12.351 -15.709 15.223
76 HA GLN 11 HA GLN 11 9.931 -17.340 15.516
77 HB2 GLN 11 2HB GLN 11 12.000 -17.551 13.418
78 HB3 GLN 11 3HB GLN 11 11.531 -19.068 14.174
79 HG2 GLN 11 2HG GLN 11 9.144 -18.449 13.672
80 HG3 GLN 11 3HG GLN 11 9.780 -17.127 12.695
81 HE21 GLN 11 1HE2 GLN 11 8.399 -18.491 11.160
82 HE22 GLN 11 2HE2 GLN 11 9.249 -19.686 10.247
83 HA PRO 12 HA PRO 12 13.085 -18.185 18.817
84 HB2 PRO 12 2HB PRO 12 11.303 -18.111 20.864
85 HB3 PRO 12 3HB PRO 12 12.110 -16.668 20.239
86 HG2 PRO 12 2HG PRO 12 9.359 -17.699 19.665
87 HG3 PRO 12 3HG PRO 12 9.887 -16.036 19.978
88 HD2 PRO 12 2HD PRO 12 9.407 -16.965 17.481
89 HD3 PRO 12 3HD PRO 12 10.641 -15.735 17.821
90 H TYR 13 H TYR 13 13.540 -20.188 19.554
91 HA TYR 13 HA TYR 13 11.637 -22.312 18.954
92 HB2 TYR 13 2HB TYR 13 14.246 -22.221 18.453
93 HB3 TYR 13 3HB TYR 13 14.338 -22.884 20.081
94 HD1 TYR 13 HD1 TYR 13 13.021 -25.019 20.571
95 HD2 TYR 13 HD2 TYR 13 13.776 -23.610 16.627
96 HE1 TYR 13 HE1 TYR 13 12.564 -27.268 19.686
97 HE2 TYR 13 HE2 TYR 13 13.321 -25.855 15.732
98 HH TYR 13 HH TYR 13 11.729 -28.161 17.269
Start of MODEL 7
1 H1 LEU 1 H LEU 1 6.205 4.143 -3.344
2 HA LEU 1 HA LEU 1 3.677 2.978 -3.089
3 HB2 LEU 1 2HB LEU 1 5.167 2.337 -5.599
4 HB3 LEU 1 3HB LEU 1 4.161 1.109 -4.835
5 HG LEU 1 HG LEU 1 2.263 2.809 -4.991
6 HD11 LEU 1 1HD1 LEU 1 4.421 4.203 -6.467
7 HD12 LEU 1 2HD1 LEU 1 3.096 4.857 -5.506
8 HD13 LEU 1 3HD1 LEU 1 2.793 4.274 -7.142
9 HD21 LEU 1 1HD2 LEU 1 3.459 1.680 -7.520
10 HD22 LEU 1 2HD2 LEU 1 1.786 2.198 -7.312
11 HD23 LEU 1 3HD2 LEU 1 2.405 0.823 -6.396
12 H GLY 2 H GLY 2 4.422 2.319 -1.109
13 HA2 GLY 2 2HA GLY 2 6.898 1.030 -0.662
14 HA3 GLY 2 3HA GLY 2 5.526 1.028 0.436
15 H GLN 3 H GLN 3 3.943 -0.623 0.244
16 HA GLN 3 HA GLN 3 3.244 -2.769 -0.030
17 HB2 GLN 3 2HB GLN 3 4.438 -2.061 -2.635
18 HB3 GLN 3 3HB GLN 3 4.269 -3.784 -2.328
19 HG2 GLN 3 2HG GLN 3 1.910 -3.561 -2.003
20 HG3 GLN 3 3HG GLN 3 2.020 -1.804 -2.082
21 HE21 GLN 3 1HE2 GLN 3 0.648 -3.978 -3.715
22 HE22 GLN 3 2HE2 GLN 3 1.042 -3.574 -5.348
23 H GLN 4 H GLN 4 4.815 -3.040 1.821
24 HA GLN 4 HA GLN 4 6.265 -5.430 1.476
25 HB2 GLN 4 2HB GLN 4 7.838 -3.797 0.381
26 HB3 GLN 4 3HB GLN 4 8.017 -3.016 1.946
27 HG2 GLN 4 2HG GLN 4 8.503 -5.692 2.465
28 HG3 GLN 4 3HG GLN 4 9.279 -5.399 0.910
29 HE21 GLN 4 1HE2 GLN 4 11.215 -4.482 0.905
30 HE22 GLN 4 2HE2 GLN 4 11.969 -3.717 2.258
31 H GLN 5 H GLN 5 4.705 -5.665 3.247
32 HA GLN 5 HA GLN 5 4.712 -4.306 5.641
33 HB2 GLN 5 2HB GLN 5 3.548 -6.644 4.656
34 HB3 GLN 5 3HB GLN 5 4.436 -7.159 6.084
35 HG2 GLN 5 2HG GLN 5 2.735 -6.471 7.312
36 HG3 GLN 5 3HG GLN 5 3.122 -4.817 6.839
37 HE21 GLN 5 1HE2 GLN 5 1.321 -7.676 5.805
38 HE22 GLN 5 2HE2 GLN 5 0.045 -6.809 5.028
39 H ALA 6 H ALA 6 6.469 -7.356 5.043
40 HA ALA 6 HA ALA 6 8.411 -8.185 5.896
41 HB1 ALA 6 1HB ALA 6 10.201 -6.734 6.256
42 HB2 ALA 6 2HB ALA 6 9.183 -5.871 5.102
43 HB3 ALA 6 3HB ALA 6 9.153 -5.427 6.808
44 H PHE 7 H PHE 7 6.893 -9.143 7.492
45 HA PHE 7 HA PHE 7 6.306 -8.121 9.985
46 HB2 PHE 7 2HB PHE 7 5.794 -10.314 10.654
47 HB3 PHE 7 3HB PHE 7 5.565 -10.339 8.908
48 HD1 PHE 7 HD1 PHE 7 6.736 -12.214 11.496
49 HD2 PHE 7 HD2 PHE 7 7.977 -10.830 7.667
50 HE1 PHE 7 HE1 PHE 7 8.303 -14.103 11.325
51 HE2 PHE 7 HE2 PHE 7 9.546 -12.717 7.489
52 HZ PHE 7 HZ PHE 7 9.710 -14.357 9.319
53 HA PRO 8 HA PRO 8 10.017 -7.925 12.317
54 HB2 PRO 8 2HB PRO 8 9.156 -8.652 14.787
55 HB3 PRO 8 3HB PRO 8 8.756 -7.097 14.049
56 HG2 PRO 8 2HG PRO 8 7.111 -9.593 14.218
57 HG3 PRO 8 3HG PRO 8 6.618 -7.908 14.471
58 HD2 PRO 8 2HD PRO 8 6.137 -9.236 12.161
59 HD3 PRO 8 3HD PRO 8 6.444 -7.488 12.212
60 HA PRO 9 HA PRO 9 11.991 -11.831 12.748
61 HB2 PRO 9 2HB PRO 9 13.607 -11.454 14.896
62 HB3 PRO 9 3HB PRO 9 13.907 -10.702 13.325
63 HG2 PRO 9 2HG PRO 9 12.639 -9.534 15.772
64 HG3 PRO 9 3HG PRO 9 13.824 -8.808 14.671
65 HD2 PRO 9 2HD PRO 9 11.180 -8.238 14.546
66 HD3 PRO 9 3HD PRO 9 12.223 -8.255 13.109
67 H GLN 10 H GLN 10 12.028 -13.780 13.911
68 HA GLN 10 HA GLN 10 11.222 -14.135 16.560
69 HB2 GLN 10 2HB GLN 10 9.039 -13.384 15.985
70 HB3 GLN 10 3HB GLN 10 9.014 -14.355 14.519
71 HG2 GLN 10 2HG GLN 10 9.407 -15.969 16.893
72 HG3 GLN 10 3HG GLN 10 7.919 -15.026 16.959
73 HE21 GLN 10 1HE2 GLN 10 6.938 -14.993 14.534
74 HE22 GLN 10 2HE2 GLN 10 6.657 -16.582 13.918
75 H GLN 11 H GLN 11 12.924 -15.608 16.442
76 HA GLN 11 HA GLN 11 13.043 -17.726 14.563
77 HB2 GLN 11 2HB GLN 11 14.545 -16.854 16.913
78 HB3 GLN 11 3HB GLN 11 14.478 -18.604 16.752
79 HG2 GLN 11 2HG GLN 11 16.128 -18.487 15.290
80 HG3 GLN 11 3HG GLN 11 15.050 -17.623 14.194
81 HE21 GLN 11 1HE2 GLN 11 15.741 -15.728 13.532
82 HE22 GLN 11 2HE2 GLN 11 16.870 -14.708 14.349
83 HA PRO 12 HA PRO 12 10.381 -20.796 16.211
84 HB2 PRO 12 2HB PRO 12 11.813 -23.074 15.847
85 HB3 PRO 12 3HB PRO 12 11.077 -22.179 14.512
86 HG2 PRO 12 2HG PRO 12 13.911 -22.152 15.476
87 HG3 PRO 12 3HG PRO 12 13.295 -22.198 13.814
88 HD2 PRO 12 2HD PRO 12 14.189 -19.921 14.975
89 HD3 PRO 12 3HD PRO 12 12.884 -19.930 13.771
90 H TYR 13 H TYR 13 9.920 -21.039 18.299
91 HA TYR 13 HA TYR 13 12.026 -21.354 20.262
92 HB2 TYR 13 2HB TYR 13 10.080 -19.850 20.652
93 HB3 TYR 13 3HB TYR 13 9.030 -21.263 20.672
94 HD1 TYR 13 HD1 TYR 13 11.638 -19.426 22.490
95 HD2 TYR 13 HD2 TYR 13 8.991 -22.756 22.571
96 HE1 TYR 13 HE1 TYR 13 12.059 -19.695 24.898
97 HE2 TYR 13 HE2 TYR 13 9.403 -23.033 24.979
98 HH TYR 13 HH TYR 13 10.193 -21.855 26.860
Start of MODEL 8
1 H1 LEU 1 H LEU 1 8.728 -1.557 -4.168
2 HA LEU 1 HA LEU 1 7.491 -2.161 -1.639
3 HB2 LEU 1 2HB LEU 1 8.613 0.206 -2.980
4 HB3 LEU 1 3HB LEU 1 7.284 0.530 -1.869
5 HG LEU 1 HG LEU 1 8.658 -0.822 -0.162
6 HD11 LEU 1 1HD1 LEU 1 10.589 -0.494 -2.401
7 HD12 LEU 1 2HD1 LEU 1 10.371 -1.840 -1.283
8 HD13 LEU 1 3HD1 LEU 1 11.180 -0.368 -0.744
9 HD21 LEU 1 1HD2 LEU 1 9.184 1.163 0.714
10 HD22 LEU 1 2HD2 LEU 1 8.457 1.857 -0.736
11 HD23 LEU 1 3HD2 LEU 1 10.201 1.600 -0.659
12 H GLY 2 H GLY 2 5.419 -2.777 -1.647
13 HA2 GLY 2 2HA GLY 2 3.412 -0.937 -2.581
14 HA3 GLY 2 3HA GLY 2 3.483 -2.415 -3.530
15 H GLN 3 H GLN 3 2.913 -1.100 -0.316
16 HA GLN 3 HA GLN 3 1.658 -1.836 1.432
17 HB2 GLN 3 2HB GLN 3 0.404 -3.081 -0.933
18 HB3 GLN 3 3HB GLN 3 0.018 -3.835 0.608
19 HG2 GLN 3 2HG GLN 3 -0.851 -1.780 1.469
20 HG3 GLN 3 3HG GLN 3 -0.302 -0.899 0.045
21 HE21 GLN 3 1HE2 GLN 3 -2.995 -1.517 1.341
22 HE22 GLN 3 2HE2 GLN 3 -3.974 -2.035 0.015
23 H GLN 4 H GLN 4 3.853 -2.710 2.054
24 HA GLN 4 HA GLN 4 3.557 -5.279 3.168
25 HB2 GLN 4 2HB GLN 4 3.997 -5.888 0.765
26 HB3 GLN 4 3HB GLN 4 5.589 -5.160 0.937
27 HG2 GLN 4 2HG GLN 4 6.215 -6.771 2.593
28 HG3 GLN 4 3HG GLN 4 4.580 -7.428 2.636
29 HE21 GLN 4 1HE2 GLN 4 5.715 -9.453 2.218
30 HE22 GLN 4 2HE2 GLN 4 6.085 -9.879 0.585
31 H GLN 5 H GLN 5 4.104 -3.668 4.840
32 HA GLN 5 HA GLN 5 6.470 -2.282 5.070
33 HB2 GLN 5 2HB GLN 5 6.065 -2.155 7.390
34 HB3 GLN 5 3HB GLN 5 4.473 -2.290 6.653
35 HG2 GLN 5 2HG GLN 5 4.616 -4.770 7.119
36 HG3 GLN 5 3HG GLN 5 6.025 -4.403 8.113
37 HE21 GLN 5 1HE2 GLN 5 5.355 -2.147 9.387
38 HE22 GLN 5 2HE2 GLN 5 3.967 -2.390 10.387
39 H ALA 6 H ALA 6 5.889 -5.701 5.488
40 HA ALA 6 HA ALA 6 7.296 -7.477 5.712
41 HB1 ALA 6 1HB ALA 6 8.496 -6.128 3.884
42 HB2 ALA 6 2HB ALA 6 9.627 -5.675 5.160
43 HB3 ALA 6 3HB ALA 6 9.409 -7.373 4.737
44 H PHE 7 H PHE 7 6.668 -7.239 8.018
45 HA PHE 7 HA PHE 7 8.116 -5.925 9.964
46 HB2 PHE 7 2HB PHE 7 7.084 -7.329 11.539
47 HB3 PHE 7 3HB PHE 7 5.959 -7.314 10.184
48 HD1 PHE 7 HD1 PHE 7 7.282 -9.362 12.557
49 HD2 PHE 7 HD2 PHE 7 6.709 -9.224 8.341
50 HE1 PHE 7 HE1 PHE 7 7.366 -11.820 12.468
51 HE2 PHE 7 HE2 PHE 7 6.791 -11.681 8.246
52 HZ PHE 7 HZ PHE 7 7.119 -12.982 10.311
53 HA PRO 8 HA PRO 8 12.038 -7.857 10.321
54 HB2 PRO 8 2HB PRO 8 12.450 -7.777 13.003
55 HB3 PRO 8 3HB PRO 8 12.513 -6.339 11.978
56 HG2 PRO 8 2HG PRO 8 10.284 -7.335 13.711
57 HG3 PRO 8 3HG PRO 8 10.886 -5.680 13.504
58 HD2 PRO 8 2HD PRO 8 8.658 -6.587 12.260
59 HD3 PRO 8 3HD PRO 8 9.730 -5.372 11.533
60 HA PRO 9 HA PRO 9 11.770 -12.133 11.312
61 HB2 PRO 9 2HB PRO 9 14.237 -12.675 12.307
62 HB3 PRO 9 3HB PRO 9 13.942 -12.347 10.595
63 HG2 PRO 9 2HG PRO 9 14.965 -10.511 12.727
64 HG3 PRO 9 3HG PRO 9 15.525 -10.707 11.056
65 HD2 PRO 9 2HD PRO 9 13.909 -8.674 11.822
66 HD3 PRO 9 3HD PRO 9 13.832 -9.396 10.202
67 H GLN 10 H GLN 10 11.309 -13.558 12.961
68 HA GLN 10 HA GLN 10 12.110 -13.338 15.626
69 HB2 GLN 10 2HB GLN 10 10.855 -11.326 15.826
70 HB3 GLN 10 3HB GLN 10 9.479 -12.017 14.977
71 HG2 GLN 10 2HG GLN 10 8.765 -13.200 16.804
72 HG3 GLN 10 3HG GLN 10 10.372 -13.268 17.524
73 HE21 GLN 10 1HE2 GLN 10 7.387 -11.716 17.511
74 HE22 GLN 10 2HE2 GLN 10 7.783 -10.396 18.553
75 H GLN 11 H GLN 11 12.282 -15.567 15.299
76 HA GLN 11 HA GLN 11 9.879 -17.041 15.893
77 HB2 GLN 11 2HB GLN 11 9.763 -16.902 13.442
78 HB3 GLN 11 3HB GLN 11 11.375 -17.597 13.325
79 HG2 GLN 11 2HG GLN 11 10.227 -19.501 13.023
80 HG3 GLN 11 3HG GLN 11 10.174 -19.496 14.785
81 HE21 GLN 11 1HE2 GLN 11 8.320 -20.836 13.201
82 HE22 GLN 11 2HE2 GLN 11 6.775 -20.088 13.403
83 HA PRO 12 HA PRO 12 13.831 -18.661 17.720
84 HB2 PRO 12 2HB PRO 12 12.884 -18.776 20.262
85 HB3 PRO 12 3HB PRO 12 13.615 -17.321 19.574
86 HG2 PRO 12 2HG PRO 12 10.721 -18.015 19.899
87 HG3 PRO 12 3HG PRO 12 11.543 -16.475 20.207
88 HD2 PRO 12 2HD PRO 12 10.118 -16.941 17.952
89 HD3 PRO 12 3HD PRO 12 11.547 -15.888 17.978
90 H TYR 13 H TYR 13 13.601 -20.669 16.739
91 HA TYR 13 HA TYR 13 11.959 -22.600 18.235
92 HB2 TYR 13 2HB TYR 13 10.830 -22.194 16.132
93 HB3 TYR 13 3HB TYR 13 12.323 -22.450 15.236
94 HD1 TYR 13 HD1 TYR 13 13.109 -24.660 14.742
95 HD2 TYR 13 HD2 TYR 13 9.668 -24.101 17.182
96 HE1 TYR 13 HE1 TYR 13 12.573 -27.051 14.524
97 HE2 TYR 13 HE2 TYR 13 9.124 -26.491 16.972
98 HH TYR 13 HH TYR 13 11.003 -28.626 14.879
Start of MODEL 9
1 H1 LEU 1 H LEU 1 5.558 -0.060 3.519
2 HA LEU 1 HA LEU 1 4.007 -1.932 3.455
3 HB2 LEU 1 2HB LEU 1 3.228 0.783 3.216
4 HB3 LEU 1 3HB LEU 1 2.101 -0.182 2.264
5 HG LEU 1 HG LEU 1 2.615 -1.234 4.953
6 HD11 LEU 1 1HD1 LEU 1 0.954 1.254 4.772
7 HD12 LEU 1 2HD1 LEU 1 2.667 1.318 5.184
8 HD13 LEU 1 3HD1 LEU 1 1.548 0.415 6.205
9 HD21 LEU 1 1HD2 LEU 1 0.476 -1.961 4.770
10 HD22 LEU 1 2HD2 LEU 1 0.804 -1.722 3.053
11 HD23 LEU 1 3HD2 LEU 1 -0.074 -0.491 3.964
12 H GLY 2 H GLY 2 2.409 -3.116 2.210
13 HA2 GLY 2 2HA GLY 2 1.533 -4.046 0.277
14 HA3 GLY 2 3HA GLY 2 2.308 -2.768 -0.648
15 H GLN 3 H GLN 3 3.674 -5.222 1.531
16 HA GLN 3 HA GLN 3 5.278 -6.804 1.220
17 HB2 GLN 3 2HB GLN 3 3.788 -6.773 -1.329
18 HB3 GLN 3 3HB GLN 3 5.391 -7.494 -1.402
19 HG2 GLN 3 2HG GLN 3 4.821 -9.089 0.287
20 HG3 GLN 3 3HG GLN 3 3.275 -8.295 0.579
21 HE21 GLN 3 1HE2 GLN 3 4.982 -9.280 -2.370
22 HE22 GLN 3 2HE2 GLN 3 3.691 -10.235 -3.005
23 H GLN 4 H GLN 4 6.662 -4.842 1.666
24 HA GLN 4 HA GLN 4 8.918 -4.884 -0.020
25 HB2 GLN 4 2HB GLN 4 7.360 -3.470 -1.403
26 HB3 GLN 4 3HB GLN 4 7.396 -2.278 -0.110
27 HG2 GLN 4 2HG GLN 4 10.070 -2.832 -0.660
28 HG3 GLN 4 3HG GLN 4 9.279 -2.743 -2.233
29 HE21 GLN 4 1HE2 GLN 4 9.501 -0.809 -3.076
30 HE22 GLN 4 2HE2 GLN 4 9.403 0.694 -2.230
31 H GLN 5 H GLN 5 9.755 -5.330 2.081
32 HA GLN 5 HA GLN 5 10.989 -3.169 3.334
33 HB2 GLN 5 2HB GLN 5 8.319 -3.380 4.123
34 HB3 GLN 5 3HB GLN 5 9.230 -4.108 5.439
35 HG2 GLN 5 2HG GLN 5 9.984 -2.141 6.148
36 HG3 GLN 5 3HG GLN 5 10.397 -1.614 4.517
37 HE21 GLN 5 1HE2 GLN 5 8.909 -0.455 6.949
38 HE22 GLN 5 2HE2 GLN 5 7.496 0.248 6.246
39 H ALA 6 H ALA 6 9.653 -6.403 3.781
40 HA ALA 6 HA ALA 6 10.568 -8.335 4.564
41 HB1 ALA 6 1HB ALA 6 12.436 -7.529 3.018
42 HB2 ALA 6 2HB ALA 6 13.268 -7.026 4.490
43 HB3 ALA 6 3HB ALA 6 12.854 -8.723 4.247
44 H PHE 7 H PHE 7 9.429 -7.654 6.567
45 HA PHE 7 HA PHE 7 10.562 -6.324 8.701
46 HB2 PHE 7 2HB PHE 7 8.899 -7.286 10.054
47 HB3 PHE 7 3HB PHE 7 8.187 -7.285 8.443
48 HD1 PHE 7 HD1 PHE 7 8.960 -9.542 7.077
49 HD2 PHE 7 HD2 PHE 7 8.439 -9.152 11.284
50 HE1 PHE 7 HE1 PHE 7 8.567 -11.965 7.250
51 HE2 PHE 7 HE2 PHE 7 8.046 -11.574 11.463
52 HZ PHE 7 HZ PHE 7 8.110 -12.984 9.445
53 HA PRO 8 HA PRO 8 13.788 -8.810 10.334
54 HB2 PRO 8 2HB PRO 8 13.504 -8.400 13.002
55 HB3 PRO 8 3HB PRO 8 14.116 -7.161 11.900
56 HG2 PRO 8 2HG PRO 8 11.364 -7.501 13.027
57 HG3 PRO 8 3HG PRO 8 12.319 -6.019 12.835
58 HD2 PRO 8 2HD PRO 8 10.351 -6.717 11.111
59 HD3 PRO 8 3HD PRO 8 11.795 -5.821 10.599
60 HA PRO 9 HA PRO 9 12.418 -12.783 11.625
61 HB2 PRO 9 2HB PRO 9 14.385 -13.575 13.320
62 HB3 PRO 9 3HB PRO 9 14.613 -13.462 11.571
63 HG2 PRO 9 2HG PRO 9 15.401 -11.525 13.713
64 HG3 PRO 9 3HG PRO 9 16.321 -12.059 12.294
65 HD2 PRO 9 2HD PRO 9 15.006 -9.694 12.372
66 HD3 PRO 9 3HD PRO 9 15.204 -10.627 10.875
67 H GLN 10 H GLN 10 11.003 -13.586 13.062
68 HA GLN 10 HA GLN 10 11.167 -13.394 15.842
69 HB2 GLN 10 2HB GLN 10 10.743 -11.058 15.695
70 HB3 GLN 10 3HB GLN 10 9.454 -11.294 14.523
71 HG2 GLN 10 2HG GLN 10 7.923 -11.820 16.099
72 HG3 GLN 10 3HG GLN 10 9.107 -12.591 17.152
73 HE21 GLN 10 1HE2 GLN 10 9.662 -11.537 18.919
74 HE22 GLN 10 2HE2 GLN 10 9.436 -9.849 19.208
75 H GLN 11 H GLN 11 10.565 -15.555 15.603
76 HA GLN 11 HA GLN 11 7.727 -16.010 15.583
77 HB2 GLN 11 2HB GLN 11 8.653 -16.057 13.123
78 HB3 GLN 11 3HB GLN 11 9.230 -17.652 13.585
79 HG2 GLN 11 2HG GLN 11 7.237 -18.419 12.999
80 HG3 GLN 11 3HG GLN 11 6.604 -17.628 14.441
81 HE21 GLN 11 1HE2 GLN 11 7.550 -16.774 11.127
82 HE22 GLN 11 2HE2 GLN 11 6.185 -15.762 10.816
83 HA PRO 12 HA PRO 12 10.365 -18.800 18.234
84 HB2 PRO 12 2HB PRO 12 9.075 -18.234 20.555
85 HB3 PRO 12 3HB PRO 12 10.438 -17.281 19.957
86 HG2 PRO 12 2HG PRO 12 7.504 -16.720 19.761
87 HG3 PRO 12 3HG PRO 12 8.832 -15.611 20.153
88 HD2 PRO 12 2HD PRO 12 7.709 -15.726 17.692
89 HD3 PRO 12 3HD PRO 12 9.422 -15.336 17.942
90 H TYR 13 H TYR 13 9.809 -20.874 18.540
91 HA TYR 13 HA TYR 13 7.030 -21.636 18.129
92 HB2 TYR 13 2HB TYR 13 9.342 -22.723 17.211
93 HB3 TYR 13 3HB TYR 13 9.047 -23.739 18.618
94 HD1 TYR 13 HD1 TYR 13 8.326 -23.252 15.195
95 HD2 TYR 13 HD2 TYR 13 6.636 -24.734 18.807
96 HE1 TYR 13 HE1 TYR 13 6.716 -24.577 13.891
97 HE2 TYR 13 HE2 TYR 13 5.021 -26.064 17.513
98 HH TYR 13 HH TYR 13 4.227 -26.538 15.492
Start of MODEL 10
1 H1 LEU 1 H LEU 1 5.656 3.195 -5.356
2 HA LEU 1 HA LEU 1 4.514 2.779 -2.672
3 HB2 LEU 1 2HB LEU 1 3.335 2.547 -5.400
4 HB3 LEU 1 3HB LEU 1 2.732 1.501 -4.117
5 HG LEU 1 HG LEU 1 2.829 4.292 -3.311
6 HD11 LEU 1 1HD1 LEU 1 1.279 3.528 -5.769
7 HD12 LEU 1 2HD1 LEU 1 2.382 4.885 -5.545
8 HD13 LEU 1 3HD1 LEU 1 0.817 4.878 -4.733
9 HD21 LEU 1 1HD2 LEU 1 0.283 2.829 -3.528
10 HD22 LEU 1 2HD2 LEU 1 0.980 3.704 -2.164
11 HD23 LEU 1 3HD2 LEU 1 1.522 2.066 -2.532
12 H GLY 2 H GLY 2 6.163 1.379 -2.000
13 HA2 GLY 2 2HA GLY 2 6.800 -0.967 -3.569
14 HA3 GLY 2 3HA GLY 2 7.444 -0.561 -1.985
15 H GLN 3 H GLN 3 5.286 -0.391 -0.395
16 HA GLN 3 HA GLN 3 3.829 -1.629 0.836
17 HB2 GLN 3 2HB GLN 3 3.176 -2.314 -1.960
18 HB3 GLN 3 3HB GLN 3 2.607 -3.459 -0.752
19 HG2 GLN 3 2HG GLN 3 1.365 -1.753 0.373
20 HG3 GLN 3 3HG GLN 3 2.058 -0.504 -0.660
21 HE21 GLN 3 1HE2 GLN 3 1.825 -1.414 -3.130
22 HE22 GLN 3 2HE2 GLN 3 0.177 -1.719 -3.547
23 H GLN 4 H GLN 4 5.961 -2.483 1.669
24 HA GLN 4 HA GLN 4 5.767 -5.266 2.060
25 HB2 GLN 4 2HB GLN 4 6.702 -5.213 -0.276
26 HB3 GLN 4 3HB GLN 4 8.141 -4.448 0.384
27 HG2 GLN 4 2HG GLN 4 7.862 -6.646 1.986
28 HG3 GLN 4 3HG GLN 4 7.314 -7.242 0.420
29 HE21 GLN 4 1HE2 GLN 4 9.988 -6.093 2.273
30 HE22 GLN 4 2HE2 GLN 4 11.219 -6.445 1.113
31 H GLN 5 H GLN 5 5.800 -3.728 4.040
32 HA GLN 5 HA GLN 5 8.069 -2.507 5.011
33 HB2 GLN 5 2HB GLN 5 7.137 -3.151 7.310
34 HB3 GLN 5 3HB GLN 5 6.104 -2.196 6.255
35 HG2 GLN 5 2HG GLN 5 4.744 -4.039 5.738
36 HG3 GLN 5 3HG GLN 5 5.911 -5.185 6.396
37 HE21 GLN 5 1HE2 GLN 5 4.761 -6.137 7.962
38 HE22 GLN 5 2HE2 GLN 5 4.040 -5.312 9.298
39 H ALA 6 H ALA 6 7.235 -5.923 5.018
40 HA ALA 6 HA ALA 6 8.461 -7.797 5.424
41 HB1 ALA 6 1HB ALA 6 10.460 -5.797 4.610
42 HB2 ALA 6 2HB ALA 6 11.092 -7.190 5.489
43 HB3 ALA 6 3HB ALA 6 10.169 -7.428 4.005
44 H PHE 7 H PHE 7 7.444 -7.573 7.596
45 HA PHE 7 HA PHE 7 8.614 -6.435 9.818
46 HB2 PHE 7 2HB PHE 7 7.222 -7.800 11.128
47 HB3 PHE 7 3HB PHE 7 6.359 -7.658 9.600
48 HD1 PHE 7 HD1 PHE 7 7.100 -9.871 12.077
49 HD2 PHE 7 HD2 PHE 7 7.276 -9.565 7.836
50 HE1 PHE 7 HE1 PHE 7 7.022 -12.324 11.900
51 HE2 PHE 7 HE2 PHE 7 7.197 -12.017 7.652
52 HZ PHE 7 HZ PHE 7 7.069 -13.400 9.685
53 HA PRO 8 HA PRO 8 12.262 -8.677 10.771
54 HB2 PRO 8 2HB PRO 8 12.198 -8.709 13.485
55 HB3 PRO 8 3HB PRO 8 12.544 -7.250 12.549
56 HG2 PRO 8 2HG PRO 8 9.978 -8.119 13.822
57 HG3 PRO 8 3HG PRO 8 10.724 -6.511 13.794
58 HD2 PRO 8 2HD PRO 8 8.693 -7.204 12.143
59 HD3 PRO 8 3HD PRO 8 9.961 -6.056 11.667
60 HA PRO 9 HA PRO 9 11.518 -12.946 11.516
61 HB2 PRO 9 2HB PRO 9 13.724 -13.708 12.902
62 HB3 PRO 9 3HB PRO 9 13.761 -13.308 11.180
63 HG2 PRO 9 2HG PRO 9 14.520 -11.621 13.534
64 HG3 PRO 9 3HG PRO 9 15.351 -11.811 11.979
65 HD2 PRO 9 2HD PRO 9 13.775 -9.681 12.539
66 HD3 PRO 9 3HD PRO 9 13.934 -10.347 10.901
67 H GLN 10 H GLN 10 11.054 -14.566 13.119
68 HA GLN 10 HA GLN 10 11.232 -14.204 15.882
69 HB2 GLN 10 2HB GLN 10 9.712 -12.380 15.730
70 HB3 GLN 10 3HB GLN 10 8.651 -13.264 14.640
71 HG2 GLN 10 2HG GLN 10 7.687 -14.461 16.318
72 HG3 GLN 10 3HG GLN 10 9.123 -14.398 17.339
73 HE21 GLN 10 1HE2 GLN 10 9.490 -12.583 18.619
74 HE22 GLN 10 2HE2 GLN 10 8.240 -11.446 18.977
75 H GLN 11 H GLN 11 11.757 -16.392 15.699
76 HA GLN 11 HA GLN 11 9.428 -18.158 15.474
77 HB2 GLN 11 2HB GLN 11 11.877 -18.207 13.824
78 HB3 GLN 11 3HB GLN 11 11.356 -19.765 14.453
79 HG2 GLN 11 2HG GLN 11 9.016 -18.763 13.512
80 HG3 GLN 11 3HG GLN 11 10.174 -18.075 12.375
81 HE21 GLN 11 1HE2 GLN 11 11.883 -19.759 11.670
82 HE22 GLN 11 2HE2 GLN 11 11.246 -21.289 11.182
83 HA PRO 12 HA PRO 12 11.914 -18.912 19.322
84 HB2 PRO 12 2HB PRO 12 9.764 -18.982 20.977
85 HB3 PRO 12 3HB PRO 12 10.593 -17.483 20.543
86 HG2 PRO 12 2HG PRO 12 8.073 -18.646 19.423
87 HG3 PRO 12 3HG PRO 12 8.433 -16.964 19.856
88 HD2 PRO 12 2HD PRO 12 8.507 -17.858 17.302
89 HD3 PRO 12 3HD PRO 12 9.578 -16.572 17.895
90 H TYR 13 H TYR 13 11.758 -20.757 20.812
91 HA TYR 13 HA TYR 13 10.941 -23.132 19.400
92 HB2 TYR 13 2HB TYR 13 13.059 -22.783 20.864
93 HB3 TYR 13 3HB TYR 13 11.983 -23.109 22.218
94 HD1 TYR 13 HD1 TYR 13 10.811 -25.321 22.345
95 HD2 TYR 13 HD2 TYR 13 13.876 -24.539 19.499
96 HE1 TYR 13 HE1 TYR 13 11.096 -27.739 21.996
97 HE2 TYR 13 HE2 TYR 13 14.169 -26.955 19.142
98 HH TYR 13 HH TYR 13 13.285 -29.222 21.096
Start of MODEL 11
1 H1 LEU 1 H LEU 1 1.112 -1.424 2.753
2 HA LEU 1 HA LEU 1 3.253 -2.846 3.593
3 HB2 LEU 1 2HB LEU 1 0.834 -3.689 4.999
4 HB3 LEU 1 3HB LEU 1 1.692 -5.013 4.213
5 HG LEU 1 HG LEU 1 3.769 -4.024 5.453
6 HD11 LEU 1 1HD1 LEU 1 3.060 -3.119 7.689
7 HD12 LEU 1 2HD1 LEU 1 1.455 -2.881 7.000
8 HD13 LEU 1 3HD1 LEU 1 2.840 -2.025 6.323
9 HD21 LEU 1 1HD2 LEU 1 3.582 -5.799 6.815
10 HD22 LEU 1 2HD2 LEU 1 2.134 -6.148 5.869
11 HD23 LEU 1 3HD2 LEU 1 1.998 -5.305 7.413
12 H GLY 2 H GLY 2 3.872 -3.401 1.609
13 HA2 GLY 2 2HA GLY 2 2.205 -5.235 0.077
14 HA3 GLY 2 3HA GLY 2 2.562 -3.694 -0.689
15 H GLN 3 H GLN 3 4.564 -5.869 1.292
16 HA GLN 3 HA GLN 3 6.574 -6.857 0.901
17 HB2 GLN 3 2HB GLN 3 5.203 -6.949 -1.712
18 HB3 GLN 3 3HB GLN 3 6.949 -7.151 -1.770
19 HG2 GLN 3 2HG GLN 3 6.844 -9.040 -0.306
20 HG3 GLN 3 3HG GLN 3 5.125 -8.779 -0.019
21 HE21 GLN 3 1HE2 GLN 3 7.517 -9.989 -2.199
22 HE22 GLN 3 2HE2 GLN 3 6.430 -10.752 -3.304
23 H GLN 4 H GLN 4 7.296 -4.645 1.644
24 HA GLN 4 HA GLN 4 9.499 -3.811 0.100
25 HB2 GLN 4 2HB GLN 4 7.621 -2.758 -1.205
26 HB3 GLN 4 3HB GLN 4 7.269 -1.778 0.212
27 HG2 GLN 4 2HG GLN 4 9.722 -1.039 0.058
28 HG3 GLN 4 3HG GLN 4 9.667 -1.702 -1.574
29 HE21 GLN 4 1HE2 GLN 4 10.240 0.842 -1.482
30 HE22 GLN 4 2HE2 GLN 4 8.896 1.838 -1.913
31 H GLN 5 H GLN 5 10.083 -4.440 2.359
32 HA GLN 5 HA GLN 5 10.860 -2.216 3.847
33 HB2 GLN 5 2HB GLN 5 8.171 -2.816 4.292
34 HB3 GLN 5 3HB GLN 5 9.012 -3.498 5.677
35 HG2 GLN 5 2HG GLN 5 9.390 -1.497 6.563
36 HG3 GLN 5 3HG GLN 5 9.942 -0.830 5.028
37 HE21 GLN 5 1HE2 GLN 5 7.090 -1.591 6.935
38 HE22 GLN 5 2HE2 GLN 5 6.059 -0.412 6.206
39 H ALA 6 H ALA 6 9.997 -5.622 3.893
40 HA ALA 6 HA ALA 6 11.081 -7.462 4.681
41 HB1 ALA 6 1HB ALA 6 13.433 -7.462 4.761
42 HB2 ALA 6 2HB ALA 6 13.008 -6.285 3.518
43 HB3 ALA 6 3HB ALA 6 13.502 -5.737 5.120
44 H PHE 7 H PHE 7 9.554 -7.149 6.509
45 HA PHE 7 HA PHE 7 10.115 -5.875 8.889
46 HB2 PHE 7 2HB PHE 7 8.442 -7.196 9.876
47 HB3 PHE 7 3HB PHE 7 7.996 -7.150 8.174
48 HD1 PHE 7 HD1 PHE 7 8.094 -9.216 10.877
49 HD2 PHE 7 HD2 PHE 7 9.340 -9.129 6.808
50 HE1 PHE 7 HE1 PHE 7 8.077 -11.676 10.822
51 HE2 PHE 7 HE2 PHE 7 9.323 -11.588 6.746
52 HZ PHE 7 HZ PHE 7 8.690 -12.865 8.755
53 HA PRO 8 HA PRO 8 13.413 -7.995 10.859
54 HB2 PRO 8 2HB PRO 8 12.661 -7.886 13.465
55 HB3 PRO 8 3HB PRO 8 13.226 -6.471 12.568
56 HG2 PRO 8 2HG PRO 8 10.425 -7.322 13.195
57 HG3 PRO 8 3HG PRO 8 11.145 -5.703 13.268
58 HD2 PRO 8 2HD PRO 8 9.604 -6.520 11.197
59 HD3 PRO 8 3HD PRO 8 10.945 -5.375 10.996
60 HA PRO 9 HA PRO 9 12.524 -12.232 11.626
61 HB2 PRO 9 2HB PRO 9 14.310 -12.879 13.566
62 HB3 PRO 9 3HB PRO 9 14.781 -12.569 11.891
63 HG2 PRO 9 2HG PRO 9 14.908 -10.747 14.263
64 HG3 PRO 9 3HG PRO 9 16.108 -11.002 12.982
65 HD2 PRO 9 2HD PRO 9 14.431 -8.876 13.005
66 HD3 PRO 9 3HD PRO 9 15.005 -9.624 11.500
67 H GLN 10 H GLN 10 10.748 -12.982 12.584
68 HA GLN 10 HA GLN 10 10.499 -13.405 15.332
69 HB2 GLN 10 2HB GLN 10 10.212 -11.065 15.656
70 HB3 GLN 10 3HB GLN 10 9.106 -10.941 14.295
71 HG2 GLN 10 2HG GLN 10 7.345 -11.861 15.468
72 HG3 GLN 10 3HG GLN 10 8.402 -12.653 16.635
73 HE21 GLN 10 1HE2 GLN 10 6.157 -11.075 17.283
74 HE22 GLN 10 2HE2 GLN 10 6.713 -9.690 18.153
75 H GLN 11 H GLN 11 9.843 -15.409 14.525
76 HA GLN 11 HA GLN 11 7.186 -15.449 13.255
77 HB2 GLN 11 2HB GLN 11 7.916 -17.848 12.625
78 HB3 GLN 11 3HB GLN 11 8.600 -16.498 11.730
79 HG2 GLN 11 2HG GLN 11 10.681 -16.849 12.516
80 HG3 GLN 11 3HG GLN 11 10.112 -17.372 14.101
81 HE21 GLN 11 1HE2 GLN 11 12.139 -18.559 12.400
82 HE22 GLN 11 2HE2 GLN 11 11.626 -20.179 12.089
83 HA PRO 12 HA PRO 12 5.457 -17.536 16.704
84 HB2 PRO 12 2HB PRO 12 3.725 -19.252 15.510
85 HB3 PRO 12 3HB PRO 12 3.452 -17.507 15.582
86 HG2 PRO 12 2HG PRO 12 4.536 -19.164 13.336
87 HG3 PRO 12 3HG PRO 12 3.360 -17.837 13.282
88 HD2 PRO 12 2HD PRO 12 5.968 -17.500 12.637
89 HD3 PRO 12 3HD PRO 12 4.995 -16.216 13.385
90 H TYR 13 H TYR 13 5.859 -19.260 17.996
91 HA TYR 13 HA TYR 13 7.663 -21.293 16.991
92 HB2 TYR 13 2HB TYR 13 7.584 -19.992 19.348
93 HB3 TYR 13 3HB TYR 13 6.669 -21.432 19.782
94 HD1 TYR 13 HD1 TYR 13 9.835 -20.512 18.016
95 HD2 TYR 13 HD2 TYR 13 7.843 -23.238 20.604
96 HE1 TYR 13 HE1 TYR 13 11.939 -21.748 18.323
97 HE2 TYR 13 HE2 TYR 13 9.941 -24.481 20.920
98 HH TYR 13 HH TYR 13 12.810 -23.405 20.423
Start of MODEL 12
1 H1 LEU 1 H LEU 1 7.940 -2.200 0.423
2 HA LEU 1 HA LEU 1 6.447 0.223 -0.253
3 HB2 LEU 1 2HB LEU 1 9.037 -0.415 -1.251
4 HB3 LEU 1 3HB LEU 1 7.878 -0.561 -2.570
5 HG LEU 1 HG LEU 1 7.227 1.856 -1.384
6 HD11 LEU 1 1HD1 LEU 1 10.222 1.530 -1.477
7 HD12 LEU 1 2HD1 LEU 1 9.237 1.859 -0.052
8 HD13 LEU 1 3HD1 LEU 1 9.375 3.070 -1.327
9 HD21 LEU 1 1HD2 LEU 1 9.143 1.670 -3.675
10 HD22 LEU 1 2HD2 LEU 1 7.773 2.758 -3.446
11 HD23 LEU 1 3HD2 LEU 1 7.496 1.060 -3.834
12 H GLY 2 H GLY 2 4.579 -0.235 -1.228
13 HA2 GLY 2 2HA GLY 2 3.138 -1.322 -2.722
14 HA3 GLY 2 3HA GLY 2 4.344 -2.582 -2.934
15 H GLN 3 H GLN 3 3.024 -1.390 0.118
16 HA GLN 3 HA GLN 3 1.884 -2.424 1.792
17 HB2 GLN 3 2HB GLN 3 0.726 -3.555 -0.677
18 HB3 GLN 3 3HB GLN 3 0.449 -4.494 0.784
19 HG2 GLN 3 2HG GLN 3 -0.616 -2.637 1.852
20 HG3 GLN 3 3HG GLN 3 -0.187 -1.567 0.519
21 HE21 GLN 3 1HE2 GLN 3 -2.792 -2.453 1.724
22 HE22 GLN 3 2HE2 GLN 3 -3.729 -2.992 0.376
23 H GLN 4 H GLN 4 4.169 -3.117 2.309
24 HA GLN 4 HA GLN 4 4.163 -5.802 3.161
25 HB2 GLN 4 2HB GLN 4 4.623 -6.119 0.707
26 HB3 GLN 4 3HB GLN 4 6.133 -5.248 0.940
27 HG2 GLN 4 2HG GLN 4 7.124 -7.128 1.529
28 HG3 GLN 4 3HG GLN 4 6.022 -7.281 2.897
29 HE21 GLN 4 1HE2 GLN 4 6.144 -7.840 -0.602
30 HE22 GLN 4 2HE2 GLN 4 5.234 -9.308 -0.573
31 H GLN 5 H GLN 5 4.530 -4.080 4.887
32 HA GLN 5 HA GLN 5 6.850 -2.628 5.197
33 HB2 GLN 5 2HB GLN 5 6.375 -2.540 7.516
34 HB3 GLN 5 3HB GLN 5 4.817 -2.655 6.708
35 HG2 GLN 5 2HG GLN 5 4.435 -4.224 8.264
36 HG3 GLN 5 3HG GLN 5 5.302 -5.259 7.130
37 HE21 GLN 5 1HE2 GLN 5 5.047 -5.540 9.993
38 HE22 GLN 5 2HE2 GLN 5 6.650 -5.508 10.638
39 H ALA 6 H ALA 6 6.352 -6.060 5.554
40 HA ALA 6 HA ALA 6 7.797 -7.798 5.823
41 HB1 ALA 6 1HB ALA 6 10.113 -5.942 5.427
42 HB2 ALA 6 2HB ALA 6 9.935 -7.627 4.934
43 HB3 ALA 6 3HB ALA 6 9.050 -6.361 4.084
44 H PHE 7 H PHE 7 7.051 -7.617 8.098
45 HA PHE 7 HA PHE 7 8.362 -6.293 10.132
46 HB2 PHE 7 2HB PHE 7 7.296 -7.752 11.633
47 HB3 PHE 7 3HB PHE 7 6.240 -7.748 10.225
48 HD1 PHE 7 HD1 PHE 7 7.525 -9.793 12.628
49 HD2 PHE 7 HD2 PHE 7 7.117 -9.606 8.395
50 HE1 PHE 7 HE1 PHE 7 7.686 -12.245 12.508
51 HE2 PHE 7 HE2 PHE 7 7.277 -12.058 8.269
52 HZ PHE 7 HZ PHE 7 7.561 -13.381 10.326
53 HA PRO 8 HA PRO 8 12.318 -8.116 10.654
54 HB2 PRO 8 2HB PRO 8 12.596 -8.067 13.354
55 HB3 PRO 8 3HB PRO 8 12.665 -6.611 12.355
56 HG2 PRO 8 2HG PRO 8 10.385 -7.700 13.961
57 HG3 PRO 8 3HG PRO 8 10.947 -6.025 13.808
58 HD2 PRO 8 2HD PRO 8 8.811 -6.976 12.442
59 HD3 PRO 8 3HD PRO 8 9.880 -5.719 11.787
60 HA PRO 9 HA PRO 9 12.129 -12.413 11.568
61 HB2 PRO 9 2HB PRO 9 14.560 -12.899 12.675
62 HB3 PRO 9 3HB PRO 9 14.339 -12.553 10.956
63 HG2 PRO 9 2HG PRO 9 15.202 -10.722 13.162
64 HG3 PRO 9 3HG PRO 9 15.848 -10.875 11.518
65 HD2 PRO 9 2HD PRO 9 14.137 -8.902 12.234
66 HD3 PRO 9 3HD PRO 9 14.160 -9.600 10.602
67 H GLN 10 H GLN 10 10.692 -12.982 13.107
68 HA GLN 10 HA GLN 10 11.647 -13.119 15.862
69 HB2 GLN 10 2HB GLN 10 9.332 -12.324 16.613
70 HB3 GLN 10 3HB GLN 10 10.455 -11.103 16.031
71 HG2 GLN 10 2HG GLN 10 9.340 -11.175 13.831
72 HG3 GLN 10 3HG GLN 10 8.172 -12.317 14.494
73 HE21 GLN 10 1HE2 GLN 10 6.338 -11.186 14.516
74 HE22 GLN 10 2HE2 GLN 10 6.114 -9.670 15.313
75 H GLN 11 H GLN 11 11.784 -15.368 14.988
76 HA GLN 11 HA GLN 11 9.281 -16.767 15.577
77 HB2 GLN 11 2HB GLN 11 10.757 -16.798 13.018
78 HB3 GLN 11 3HB GLN 11 10.263 -18.372 13.626
79 HG2 GLN 11 2HG GLN 11 8.184 -16.299 13.689
80 HG3 GLN 11 3HG GLN 11 8.730 -16.776 12.082
81 HE21 GLN 11 1HE2 GLN 11 7.023 -17.714 14.921
82 HE22 GLN 11 2HE2 GLN 11 6.431 -19.225 14.329
83 HA PRO 12 HA PRO 12 12.958 -18.522 17.804
84 HB2 PRO 12 2HB PRO 12 11.727 -18.645 20.221
85 HB3 PRO 12 3HB PRO 12 12.566 -17.200 19.642
86 HG2 PRO 12 2HG PRO 12 9.638 -17.823 19.629
87 HG3 PRO 12 3HG PRO 12 10.458 -16.308 20.051
88 HD2 PRO 12 2HD PRO 12 9.285 -16.709 17.643
89 HD3 PRO 12 3HD PRO 12 10.728 -15.694 17.846
90 H TYR 13 H TYR 13 13.175 -20.636 17.464
91 HA TYR 13 HA TYR 13 11.035 -22.421 17.082
92 HB2 TYR 13 2HB TYR 13 13.542 -22.571 16.349
93 HB3 TYR 13 3HB TYR 13 13.758 -23.375 17.900
94 HD1 TYR 13 HD1 TYR 13 13.265 -25.652 18.135
95 HD2 TYR 13 HD2 TYR 13 11.816 -23.546 14.734
96 HE1 TYR 13 HE1 TYR 13 12.525 -27.777 17.142
97 HE2 TYR 13 HE2 TYR 13 11.071 -25.665 13.732
98 HH TYR 13 HH TYR 13 10.469 -28.262 15.157
Start of MODEL 13
1 H1 LEU 1 H LEU 1 5.422 0.535 5.828
2 HA LEU 1 HA LEU 1 7.140 -1.756 5.135
3 HB2 LEU 1 2HB LEU 1 7.405 -0.430 7.421
4 HB3 LEU 1 3HB LEU 1 6.074 -1.484 7.892
5 HG LEU 1 HG LEU 1 7.896 -3.224 6.764
6 HD11 LEU 1 1HD1 LEU 1 9.433 -1.338 8.533
7 HD12 LEU 1 2HD1 LEU 1 9.524 -1.310 6.773
8 HD13 LEU 1 3HD1 LEU 1 10.039 -2.745 7.659
9 HD21 LEU 1 1HD2 LEU 1 8.382 -3.752 9.216
10 HD22 LEU 1 2HD2 LEU 1 6.703 -3.840 8.682
11 HD23 LEU 1 3HD2 LEU 1 7.268 -2.438 9.592
12 H GLY 2 H GLY 2 6.015 -3.414 4.373
13 HA2 GLY 2 2HA GLY 2 4.166 -4.979 5.328
14 HA3 GLY 2 3HA GLY 2 3.150 -3.584 4.997
15 H GLN 3 H GLN 3 4.607 -6.377 3.715
16 HA GLN 3 HA GLN 3 4.487 -7.400 1.688
17 HB2 GLN 3 2HB GLN 3 2.153 -5.593 1.724
18 HB3 GLN 3 3HB GLN 3 2.656 -6.142 0.130
19 HG2 GLN 3 2HG GLN 3 2.394 -8.433 0.766
20 HG3 GLN 3 3HG GLN 3 2.092 -7.980 2.443
21 HE21 GLN 3 1HE2 GLN 3 0.050 -8.102 2.993
22 HE22 GLN 3 2HE2 GLN 3 -1.309 -7.813 1.967
23 H GLN 4 H GLN 4 6.669 -6.315 1.517
24 HA GLN 4 HA GLN 4 7.011 -5.304 -1.089
25 HB2 GLN 4 2HB GLN 4 6.087 -3.263 0.059
26 HB3 GLN 4 3HB GLN 4 7.525 -3.259 1.072
27 HG2 GLN 4 2HG GLN 4 8.824 -2.416 -0.548
28 HG3 GLN 4 3HG GLN 4 8.046 -3.367 -1.812
29 HE21 GLN 4 1HE2 GLN 4 8.749 -0.393 -1.247
30 HE22 GLN 4 2HE2 GLN 4 7.327 0.437 -1.770
31 H GLN 5 H GLN 5 8.284 -7.336 -0.419
32 HA GLN 5 HA GLN 5 10.266 -8.365 0.036
33 HB2 GLN 5 2HB GLN 5 10.774 -6.492 -1.761
34 HB3 GLN 5 3HB GLN 5 11.720 -5.804 -0.448
35 HG2 GLN 5 2HG GLN 5 13.350 -7.071 -1.321
36 HG3 GLN 5 3HG GLN 5 12.593 -8.340 -0.359
37 HE21 GLN 5 1HE2 GLN 5 11.944 -6.786 -3.488
38 HE22 GLN 5 2HE2 GLN 5 11.785 -8.258 -4.377
39 H ALA 6 H ALA 6 9.161 -7.860 2.348
40 HA ALA 6 HA ALA 6 11.259 -7.703 4.175
41 HB1 ALA 6 1HB ALA 6 10.015 -5.113 3.505
42 HB2 ALA 6 2HB ALA 6 10.246 -5.446 5.222
43 HB3 ALA 6 3HB ALA 6 11.626 -5.476 4.124
44 H PHE 7 H PHE 7 9.895 -9.580 4.630
45 HA PHE 7 HA PHE 7 7.267 -9.543 5.466
46 HB2 PHE 7 2HB PHE 7 7.642 -11.659 6.413
47 HB3 PHE 7 3HB PHE 7 8.854 -11.544 5.141
48 HD1 PHE 7 HD1 PHE 7 8.364 -12.626 8.350
49 HD2 PHE 7 HD2 PHE 7 11.108 -10.308 6.067
50 HE1 PHE 7 HE1 PHE 7 10.129 -13.100 9.997
51 HE2 PHE 7 HE2 PHE 7 12.878 -10.778 7.710
52 HZ PHE 7 HZ PHE 7 12.390 -12.177 9.678
53 HA PRO 8 HA PRO 8 7.068 -7.484 9.334
54 HB2 PRO 8 2HB PRO 8 5.213 -8.964 10.653
55 HB3 PRO 8 3HB PRO 8 4.806 -7.889 9.310
56 HG2 PRO 8 2HG PRO 8 5.206 -10.856 9.307
57 HG3 PRO 8 3HG PRO 8 3.956 -9.895 8.495
58 HD2 PRO 8 2HD PRO 8 6.131 -10.853 7.197
59 HD3 PRO 8 3HD PRO 8 5.353 -9.320 6.754
60 HA PRO 9 HA PRO 9 9.572 -9.364 12.420
61 HB2 PRO 9 2HB PRO 9 8.495 -8.421 14.727
62 HB3 PRO 9 3HB PRO 9 9.421 -7.407 13.614
63 HG2 PRO 9 2HG PRO 9 6.454 -7.667 13.916
64 HG3 PRO 9 3HG PRO 9 7.433 -6.204 13.699
65 HD2 PRO 9 2HD PRO 9 6.076 -7.364 11.663
66 HD3 PRO 9 3HD PRO 9 7.614 -6.511 11.422
67 H GLN 10 H GLN 10 9.690 -11.332 13.312
68 HA GLN 10 HA GLN 10 7.831 -12.470 15.057
69 HB2 GLN 10 2HB GLN 10 6.285 -12.674 13.260
70 HB3 GLN 10 3HB GLN 10 7.525 -13.279 12.170
71 HG2 GLN 10 2HG GLN 10 7.497 -15.386 13.082
72 HG3 GLN 10 3HG GLN 10 6.873 -14.822 14.632
73 HE21 GLN 10 1HE2 GLN 10 5.825 -14.598 11.245
74 HE22 GLN 10 2HE2 GLN 10 4.217 -15.162 11.529
75 H GLN 11 H GLN 11 9.753 -12.996 16.108
76 HA GLN 11 HA GLN 11 11.820 -14.518 14.872
77 HB2 GLN 11 2HB GLN 11 11.290 -13.348 17.488
78 HB3 GLN 11 3HB GLN 11 12.082 -14.914 17.604
79 HG2 GLN 11 2HG GLN 11 13.989 -13.824 17.311
80 HG3 GLN 11 3HG GLN 11 13.504 -13.631 15.627
81 HE21 GLN 11 1HE2 GLN 11 13.346 -12.118 18.805
82 HE22 GLN 11 2HE2 GLN 11 13.264 -10.492 18.228
83 HA PRO 12 HA PRO 12 10.437 -18.654 15.323
84 HB2 PRO 12 2HB PRO 12 12.695 -19.950 16.092
85 HB3 PRO 12 3HB PRO 12 12.455 -19.326 14.455
86 HG2 PRO 12 2HG PRO 12 13.982 -18.128 16.735
87 HG3 PRO 12 3HG PRO 12 14.428 -18.232 15.022
88 HD2 PRO 12 2HD PRO 12 13.430 -15.974 16.133
89 HD3 PRO 12 3HD PRO 12 13.123 -16.423 14.443
90 H TYR 13 H TYR 13 9.585 -20.055 16.806
91 HA TYR 13 HA TYR 13 10.191 -19.509 19.639
92 HB2 TYR 13 2HB TYR 13 7.809 -19.023 18.482
93 HB3 TYR 13 3HB TYR 13 7.572 -20.709 18.930
94 HD1 TYR 13 HD1 TYR 13 8.142 -21.317 21.405
95 HD2 TYR 13 HD2 TYR 13 7.377 -17.360 20.041
96 HE1 TYR 13 HE1 TYR 13 7.604 -20.635 23.706
97 HE2 TYR 13 HE2 TYR 13 6.838 -16.667 22.338
98 HH TYR 13 HH TYR 13 5.938 -18.284 24.584
Start of MODEL 14
1 H1 LEU 1 H LEU 1 6.861 -7.927 -2.146
2 HA LEU 1 HA LEU 1 6.745 -5.910 -0.897
3 HB2 LEU 1 2HB LEU 1 7.279 -4.893 -3.532
4 HB3 LEU 1 3HB LEU 1 5.949 -4.003 -2.795
5 HG LEU 1 HG LEU 1 7.504 -3.683 -0.791
6 HD11 LEU 1 1HD1 LEU 1 9.259 -5.099 -2.661
7 HD12 LEU 1 2HD1 LEU 1 9.368 -4.921 -0.911
8 HD13 LEU 1 3HD1 LEU 1 9.953 -3.635 -1.966
9 HD21 LEU 1 1HD2 LEU 1 8.829 -1.896 -2.145
10 HD22 LEU 1 2HD2 LEU 1 7.078 -1.756 -1.984
11 HD23 LEU 1 3HD2 LEU 1 7.779 -2.395 -3.472
12 H GLY 2 H GLY 2 4.850 -4.657 -0.267
13 HA2 GLY 2 2HA GLY 2 2.440 -4.335 -1.349
14 HA3 GLY 2 3HA GLY 2 2.411 -6.061 -1.022
15 H GLN 3 H GLN 3 2.932 -2.916 0.535
16 HA GLN 3 HA GLN 3 2.403 -2.143 2.607
17 HB2 GLN 3 2HB GLN 3 0.378 -4.224 2.075
18 HB3 GLN 3 3HB GLN 3 0.584 -3.788 3.766
19 HG2 GLN 3 2HG GLN 3 0.080 -1.496 3.304
20 HG3 GLN 3 3HG GLN 3 0.069 -1.802 1.568
21 HE21 GLN 3 1HE2 GLN 3 -1.543 -2.667 4.586
22 HE22 GLN 3 2HE2 GLN 3 -3.099 -2.938 3.886
23 H GLN 4 H GLN 4 4.677 -2.948 2.993
24 HA GLN 4 HA GLN 4 4.817 -4.182 5.521
25 HB2 GLN 4 2HB GLN 4 4.354 -6.190 4.075
26 HB3 GLN 4 3HB GLN 4 5.896 -5.897 3.282
27 HG2 GLN 4 2HG GLN 4 7.039 -6.173 5.436
28 HG3 GLN 4 3HG GLN 4 5.487 -6.517 6.198
29 HE21 GLN 4 1HE2 GLN 4 7.513 -7.593 3.496
30 HE22 GLN 4 2HE2 GLN 4 7.154 -9.273 3.670
31 H GLN 5 H GLN 5 5.907 -2.027 5.435
32 HA GLN 5 HA GLN 5 8.219 -1.437 4.064
33 HB2 GLN 5 2HB GLN 5 6.790 -0.310 6.181
34 HB3 GLN 5 3HB GLN 5 8.410 -0.554 6.820
35 HG2 GLN 5 2HG GLN 5 7.820 0.867 4.236
36 HG3 GLN 5 3HG GLN 5 8.017 1.676 5.790
37 HE21 GLN 5 1HE2 GLN 5 9.555 1.245 3.065
38 HE22 GLN 5 2HE2 GLN 5 11.192 1.114 3.602
39 H ALA 6 H ALA 6 7.941 -3.101 7.195
40 HA ALA 6 HA ALA 6 10.021 -4.897 6.738
41 HB1 ALA 6 1HB ALA 6 11.475 -3.584 8.649
42 HB2 ALA 6 2HB ALA 6 11.818 -3.579 6.919
43 HB3 ALA 6 3HB ALA 6 10.894 -2.261 7.638
44 H PHE 7 H PHE 7 8.229 -6.050 7.709
45 HA PHE 7 HA PHE 7 7.163 -5.651 10.221
46 HB2 PHE 7 2HB PHE 7 6.381 -7.865 10.131
47 HB3 PHE 7 3HB PHE 7 6.547 -7.406 8.440
48 HD1 PHE 7 HD1 PHE 7 6.989 -10.020 10.571
49 HD2 PHE 7 HD2 PHE 7 9.145 -7.839 7.618
50 HE1 PHE 7 HE1 PHE 7 8.436 -11.973 10.190
51 HE2 PHE 7 HE2 PHE 7 10.595 -9.789 7.232
52 HZ PHE 7 HZ PHE 7 10.241 -11.860 8.518
53 HA PRO 8 HA PRO 8 10.264 -6.519 13.200
54 HB2 PRO 8 2HB PRO 8 8.830 -7.756 15.145
55 HB3 PRO 8 3HB PRO 8 8.701 -6.026 14.810
56 HG2 PRO 8 2HG PRO 8 6.910 -8.262 13.943
57 HG3 PRO 8 3HG PRO 8 6.477 -6.656 14.555
58 HD2 PRO 8 2HD PRO 8 6.444 -7.267 11.917
59 HD3 PRO 8 3HD PRO 8 6.838 -5.643 12.516
60 HA PRO 9 HA PRO 9 11.848 -10.610 12.900
61 HB2 PRO 9 2HB PRO 9 12.963 -11.004 15.343
62 HB3 PRO 9 3HB PRO 9 13.652 -9.910 14.138
63 HG2 PRO 9 2HG PRO 9 11.943 -9.277 16.513
64 HG3 PRO 9 3HG PRO 9 13.387 -8.437 15.918
65 HD2 PRO 9 2HD PRO 9 10.878 -7.540 15.436
66 HD3 PRO 9 3HD PRO 9 12.212 -7.307 14.289
67 H GLN 10 H GLN 10 11.075 -12.633 13.053
68 HA GLN 10 HA GLN 10 10.017 -13.840 15.337
69 HB2 GLN 10 2HB GLN 10 8.135 -12.390 15.219
70 HB3 GLN 10 3HB GLN 10 7.976 -12.622 13.483
71 HG2 GLN 10 2HG GLN 10 6.817 -14.530 13.707
72 HG3 GLN 10 3HG GLN 10 7.766 -15.068 15.092
73 HE21 GLN 10 1HE2 GLN 10 4.798 -14.793 14.445
74 HE22 GLN 10 2HE2 GLN 10 4.149 -14.005 15.839
75 H GLN 11 H GLN 11 11.314 -15.505 14.536
76 HA GLN 11 HA GLN 11 10.476 -16.750 12.018
77 HB2 GLN 11 2HB GLN 11 13.000 -16.536 13.470
78 HB3 GLN 11 3HB GLN 11 12.657 -18.177 12.939
79 HG2 GLN 11 2HG GLN 11 12.880 -17.668 10.748
80 HG3 GLN 11 3HG GLN 11 12.268 -16.027 10.952
81 HE21 GLN 11 1HE2 GLN 11 13.781 -14.708 10.226
82 HE22 GLN 11 2HE2 GLN 11 15.456 -14.761 10.645
83 HA PRO 12 HA PRO 12 8.555 -20.205 13.917
84 HB2 PRO 12 2HB PRO 12 9.361 -22.265 12.344
85 HB3 PRO 12 3HB PRO 12 8.197 -21.047 11.809
86 HG2 PRO 12 2HG PRO 12 11.131 -21.240 11.246
87 HG3 PRO 12 3HG PRO 12 9.804 -20.831 10.143
88 HD2 PRO 12 2HD PRO 12 11.407 -18.952 11.253
89 HD3 PRO 12 3HD PRO 12 9.699 -18.649 10.877
90 H TYR 13 H TYR 13 8.878 -22.065 15.213
91 HA TYR 13 HA TYR 13 11.626 -22.319 16.208
92 HB2 TYR 13 2HB TYR 13 9.680 -21.722 17.752
93 HB3 TYR 13 3HB TYR 13 9.137 -23.383 17.539
94 HD1 TYR 13 HD1 TYR 13 11.222 -21.208 19.419
95 HD2 TYR 13 HD2 TYR 13 10.839 -25.243 18.124
96 HE1 TYR 13 HE1 TYR 13 12.729 -21.925 21.226
97 HE2 TYR 13 HE2 TYR 13 12.343 -25.971 19.929
98 HH TYR 13 HH TYR 13 14.299 -24.697 21.319
Start of MODEL 15
1 H1 LEU 1 H LEU 1 1.070 0.338 -1.138
2 HA LEU 1 HA LEU 1 3.496 -1.131 -0.740
3 HB2 LEU 1 2HB LEU 1 3.682 1.651 -1.305
4 HB3 LEU 1 3HB LEU 1 4.103 1.402 0.388
5 HG LEU 1 HG LEU 1 5.512 -0.556 -1.042
6 HD11 LEU 1 1HD1 LEU 1 5.476 0.357 -3.129
7 HD12 LEU 1 2HD1 LEU 1 6.852 1.229 -2.455
8 HD13 LEU 1 3HD1 LEU 1 5.270 2.003 -2.530
9 HD21 LEU 1 1HD2 LEU 1 5.996 1.093 0.992
10 HD22 LEU 1 2HD2 LEU 1 6.855 1.971 -0.274
11 HD23 LEU 1 3HD2 LEU 1 7.285 0.299 0.088
12 H GLY 2 H GLY 2 4.126 -1.209 1.548
13 HA2 GLY 2 2HA GLY 2 3.403 -0.328 3.817
14 HA3 GLY 2 3HA GLY 2 1.781 -0.735 3.277
15 H GLN 3 H GLN 3 4.725 -1.911 4.610
16 HA GLN 3 HA GLN 3 5.306 -3.893 5.560
17 HB2 GLN 3 2HB GLN 3 2.357 -3.865 5.693
18 HB3 GLN 3 3HB GLN 3 3.103 -5.449 5.860
19 HG2 GLN 3 2HG GLN 3 4.384 -4.718 7.743
20 HG3 GLN 3 3HG GLN 3 3.852 -3.052 7.516
21 HE21 GLN 3 1HE2 GLN 3 1.592 -2.587 7.840
22 HE22 GLN 3 2HE2 GLN 3 0.676 -3.532 8.958
23 H GLN 4 H GLN 4 6.267 -4.164 3.332
24 HA GLN 4 HA GLN 4 5.885 -6.816 2.462
25 HB2 GLN 4 2HB GLN 4 3.855 -5.724 1.452
26 HB3 GLN 4 3HB GLN 4 4.943 -4.748 0.473
27 HG2 GLN 4 2HG GLN 4 5.704 -7.460 0.175
28 HG3 GLN 4 3HG GLN 4 3.956 -7.357 -0.028
29 HE21 GLN 4 1HE2 GLN 4 3.554 -7.369 -2.121
30 HE22 GLN 4 2HE2 GLN 4 4.344 -6.398 -3.312
31 H GLN 5 H GLN 5 8.144 -6.696 2.846
32 HA GLN 5 HA GLN 5 9.723 -6.366 0.574
33 HB2 GLN 5 2HB GLN 5 9.159 -3.900 1.753
34 HB3 GLN 5 3HB GLN 5 10.783 -4.292 2.304
35 HG2 GLN 5 2HG GLN 5 10.945 -4.896 -0.342
36 HG3 GLN 5 3HG GLN 5 9.823 -3.536 -0.351
37 HE21 GLN 5 1HE2 GLN 5 10.522 -1.524 0.408
38 HE22 GLN 5 2HE2 GLN 5 12.200 -1.139 0.547
39 H ALA 6 H ALA 6 9.614 -6.252 4.093
40 HA ALA 6 HA ALA 6 11.255 -8.473 4.466
41 HB1 ALA 6 1HB ALA 6 12.694 -5.912 4.195
42 HB2 ALA 6 2HB ALA 6 13.174 -6.936 5.549
43 HB3 ALA 6 3HB ALA 6 13.243 -7.563 3.902
44 H PHE 7 H PHE 7 9.339 -8.605 5.848
45 HA PHE 7 HA PHE 7 8.705 -6.932 7.946
46 HB2 PHE 7 2HB PHE 7 7.439 -8.696 8.840
47 HB3 PHE 7 3HB PHE 7 7.497 -9.048 7.116
48 HD1 PHE 7 HD1 PHE 7 7.635 -10.522 10.194
49 HD2 PHE 7 HD2 PHE 7 9.768 -10.459 6.511
50 HE1 PHE 7 HE1 PHE 7 8.546 -12.754 10.687
51 HE2 PHE 7 HE2 PHE 7 10.681 -12.691 6.998
52 HZ PHE 7 HZ PHE 7 10.071 -13.842 9.088
53 HA PRO 8 HA PRO 8 11.869 -7.233 10.970
54 HB2 PRO 8 2HB PRO 8 10.440 -7.128 13.276
55 HB3 PRO 8 3HB PRO 8 10.665 -5.728 12.221
56 HG2 PRO 8 2HG PRO 8 8.323 -7.581 12.436
57 HG3 PRO 8 3HG PRO 8 8.342 -5.814 12.291
58 HD2 PRO 8 2HD PRO 8 7.852 -7.443 10.185
59 HD3 PRO 8 3HD PRO 8 8.672 -5.879 10.011
60 HA PRO 9 HA PRO 9 12.439 -11.328 12.467
61 HB2 PRO 9 2HB PRO 9 13.725 -10.932 14.825
62 HB3 PRO 9 3HB PRO 9 14.492 -10.662 13.256
63 HG2 PRO 9 2HG PRO 9 13.272 -8.677 15.135
64 HG3 PRO 9 3HG PRO 9 14.785 -8.565 14.217
65 HD2 PRO 9 2HD PRO 9 12.504 -7.342 13.421
66 HD3 PRO 9 3HD PRO 9 13.706 -7.962 12.271
67 H GLN 10 H GLN 10 10.946 -12.671 13.238
68 HA GLN 10 HA GLN 10 10.089 -12.755 15.893
69 HB2 GLN 10 2HB GLN 10 8.816 -10.778 15.535
70 HB3 GLN 10 3HB GLN 10 8.206 -11.366 13.994
71 HG2 GLN 10 2HG GLN 10 6.531 -12.488 14.949
72 HG3 GLN 10 3HG GLN 10 7.551 -13.093 16.253
73 HE21 GLN 10 1HE2 GLN 10 5.588 -12.676 17.515
74 HE22 GLN 10 2HE2 GLN 10 5.342 -11.092 18.158
75 H GLN 11 H GLN 11 10.540 -14.934 15.533
76 HA GLN 11 HA GLN 11 8.324 -16.473 14.555
77 HB2 GLN 11 2HB GLN 11 9.843 -15.862 12.532
78 HB3 GLN 11 3HB GLN 11 10.939 -17.062 13.206
79 HG2 GLN 11 2HG GLN 11 8.699 -18.504 13.212
80 HG3 GLN 11 3HG GLN 11 8.320 -17.409 11.883
81 HE21 GLN 11 1HE2 GLN 11 10.356 -19.980 12.992
82 HE22 GLN 11 2HE2 GLN 11 11.087 -20.339 11.469
83 HA PRO 12 HA PRO 12 10.871 -18.293 18.005
84 HB2 PRO 12 2HB PRO 12 8.778 -18.632 19.701
85 HB3 PRO 12 3HB PRO 12 9.708 -17.131 19.611
86 HG2 PRO 12 2HG PRO 12 7.067 -17.801 18.369
87 HG3 PRO 12 3HG PRO 12 7.573 -16.312 19.188
88 HD2 PRO 12 2HD PRO 12 7.492 -16.536 16.490
89 HD3 PRO 12 3HD PRO 12 8.679 -15.517 17.328
90 H TYR 13 H TYR 13 10.859 -20.457 18.743
91 HA TYR 13 HA TYR 13 9.484 -22.278 16.959
92 HB2 TYR 13 2HB TYR 13 11.802 -22.744 17.380
93 HB3 TYR 13 3HB TYR 13 11.551 -22.705 19.122
94 HD1 TYR 13 HD1 TYR 13 10.436 -24.563 16.082
95 HD2 TYR 13 HD2 TYR 13 11.234 -24.699 20.259
96 HE1 TYR 13 HE1 TYR 13 10.041 -26.991 16.072
97 HE2 TYR 13 HE2 TYR 13 10.842 -27.128 20.261
98 HH TYR 13 HH TYR 13 10.930 -29.007 17.731
Start of MODEL 16
1 H1 LEU 1 H LEU 1 7.897 -1.837 -1.591
2 HA LEU 1 HA LEU 1 6.032 -1.862 -3.000
3 HB2 LEU 1 2HB LEU 1 7.906 -4.096 -3.600
4 HB3 LEU 1 3HB LEU 1 6.424 -3.960 -4.545
5 HG LEU 1 HG LEU 1 7.795 -1.425 -4.422
6 HD11 LEU 1 1HD1 LEU 1 9.708 -2.170 -5.883
7 HD12 LEU 1 2HD1 LEU 1 9.371 -3.815 -5.344
8 HD13 LEU 1 3HD1 LEU 1 9.843 -2.583 -4.173
9 HD21 LEU 1 1HD2 LEU 1 7.756 -1.869 -6.951
10 HD22 LEU 1 2HD2 LEU 1 6.213 -1.733 -6.107
11 HD23 LEU 1 3HD2 LEU 1 6.844 -3.322 -6.541
12 H GLY 2 H GLY 2 4.034 -2.176 -2.221
13 HA2 GLY 2 2HA GLY 2 2.050 -3.356 -1.971
14 HA3 GLY 2 3HA GLY 2 2.928 -4.842 -2.298
15 H GLN 3 H GLN 3 2.684 -2.327 0.216
16 HA GLN 3 HA GLN 3 2.610 -2.456 2.485
17 HB2 GLN 3 2HB GLN 3 1.344 -4.964 1.577
18 HB3 GLN 3 3HB GLN 3 1.917 -4.969 3.239
19 HG2 GLN 3 2HG GLN 3 0.556 -3.079 3.783
20 HG3 GLN 3 3HG GLN 3 0.096 -2.868 2.094
21 HE21 GLN 3 1HE2 GLN 3 -2.093 -2.999 2.763
22 HE22 GLN 3 2HE2 GLN 3 -2.826 -4.527 3.095
23 H GLN 4 H GLN 4 5.020 -2.289 2.122
24 HA GLN 4 HA GLN 4 6.521 -4.700 2.733
25 HB2 GLN 4 2HB GLN 4 8.502 -3.173 2.530
26 HB3 GLN 4 3HB GLN 4 7.508 -3.283 1.084
27 HG2 GLN 4 2HG GLN 4 6.656 -1.145 1.349
28 HG3 GLN 4 3HG GLN 4 7.071 -1.086 3.061
29 HE21 GLN 4 1HE2 GLN 4 8.591 0.346 3.426
30 HE22 GLN 4 2HE2 GLN 4 9.964 0.661 2.426
31 H GLN 5 H GLN 5 4.890 -4.235 4.811
32 HA GLN 5 HA GLN 5 5.644 -2.531 6.836
33 HB2 GLN 5 2HB GLN 5 3.907 -4.700 6.572
34 HB3 GLN 5 3HB GLN 5 4.975 -5.146 7.896
35 HG2 GLN 5 2HG GLN 5 3.078 -4.054 8.819
36 HG3 GLN 5 3HG GLN 5 4.455 -2.963 8.966
37 HE21 GLN 5 1HE2 GLN 5 2.594 -1.451 9.267
38 HE22 GLN 5 2HE2 GLN 5 1.951 -0.696 7.853
39 H ALA 6 H ALA 6 6.952 -5.738 6.088
40 HA ALA 6 HA ALA 6 8.911 -6.752 6.650
41 HB1 ALA 6 1HB ALA 6 9.904 -4.079 7.603
42 HB2 ALA 6 2HB ALA 6 10.839 -5.433 6.967
43 HB3 ALA 6 3HB ALA 6 9.796 -4.501 5.893
44 H PHE 7 H PHE 7 7.517 -7.724 8.349
45 HA PHE 7 HA PHE 7 7.290 -6.852 10.954
46 HB2 PHE 7 2HB PHE 7 7.226 -9.350 11.525
47 HB3 PHE 7 3HB PHE 7 6.044 -8.762 10.361
48 HD1 PHE 7 HD1 PHE 7 5.721 -9.999 8.460
49 HD2 PHE 7 HD2 PHE 7 9.499 -10.170 10.411
50 HE1 PHE 7 HE1 PHE 7 6.479 -11.686 6.837
51 HE2 PHE 7 HE2 PHE 7 10.264 -11.856 8.791
52 HZ PHE 7 HZ PHE 7 8.753 -12.616 7.001
53 HA PRO 8 HA PRO 8 11.224 -7.094 12.878
54 HB2 PRO 8 2HB PRO 8 10.605 -8.055 15.340
55 HB3 PRO 8 3HB PRO 8 10.206 -6.413 14.822
56 HG2 PRO 8 2HG PRO 8 8.463 -8.845 14.916
57 HG3 PRO 8 3HG PRO 8 8.089 -7.181 15.400
58 HD2 PRO 8 2HD PRO 8 7.288 -8.225 13.033
59 HD3 PRO 8 3HD PRO 8 7.688 -6.507 13.232
60 HA PRO 9 HA PRO 9 13.028 -11.098 12.664
61 HB2 PRO 9 2HB PRO 9 14.889 -11.025 14.640
62 HB3 PRO 9 3HB PRO 9 15.053 -10.117 13.133
63 HG2 PRO 9 2HG PRO 9 14.124 -9.177 15.819
64 HG3 PRO 9 3HG PRO 9 15.217 -8.382 14.671
65 HD2 PRO 9 2HD PRO 9 12.608 -7.697 14.913
66 HD3 PRO 9 3HD PRO 9 13.484 -7.596 13.371
67 H GLN 10 H GLN 10 11.918 -12.868 13.210
68 HA GLN 10 HA GLN 10 12.086 -14.072 15.723
69 HB2 GLN 10 2HB GLN 10 10.604 -12.430 16.598
70 HB3 GLN 10 3HB GLN 10 9.533 -12.555 15.209
71 HG2 GLN 10 2HG GLN 10 8.476 -14.374 16.012
72 HG3 GLN 10 3HG GLN 10 9.933 -15.028 16.758
73 HE21 GLN 10 1HE2 GLN 10 10.538 -14.307 18.818
74 HE22 GLN 10 2HE2 GLN 10 9.409 -13.540 19.876
75 H GLN 11 H GLN 11 12.562 -15.827 14.394
76 HA GLN 11 HA GLN 11 10.804 -16.758 12.362
77 HB2 GLN 11 2HB GLN 11 13.339 -17.587 13.552
78 HB3 GLN 11 3HB GLN 11 12.316 -18.947 13.109
79 HG2 GLN 11 2HG GLN 11 12.118 -17.396 10.893
80 HG3 GLN 11 3HG GLN 11 13.762 -17.042 11.421
81 HE21 GLN 11 1HE2 GLN 11 12.270 -18.782 9.279
82 HE22 GLN 11 2HE2 GLN 11 13.204 -20.235 9.277
83 HA PRO 12 HA PRO 12 7.871 -19.171 14.554
84 HB2 PRO 12 2HB PRO 12 7.621 -21.368 12.979
85 HB3 PRO 12 3HB PRO 12 6.991 -19.781 12.521
86 HG2 PRO 12 2HG PRO 12 9.529 -21.127 11.679
87 HG3 PRO 12 3HG PRO 12 8.369 -20.212 10.698
88 HD2 PRO 12 2HD PRO 12 10.694 -19.141 11.583
89 HD3 PRO 12 3HD PRO 12 9.220 -18.176 11.367
90 H TYR 13 H TYR 13 8.581 -19.916 16.484
91 HA TYR 13 HA TYR 13 10.412 -22.209 16.525
92 HB2 TYR 13 2HB TYR 13 11.056 -20.216 17.845
93 HB3 TYR 13 3HB TYR 13 9.580 -20.382 18.789
94 HD1 TYR 13 HD1 TYR 13 12.906 -21.775 18.135
95 HD2 TYR 13 HD2 TYR 13 9.356 -22.131 20.453
96 HE1 TYR 13 HE1 TYR 13 14.077 -23.285 19.685
97 HE2 TYR 13 HE2 TYR 13 10.516 -23.640 22.010
98 HH TYR 13 HH TYR 13 12.900 -24.086 22.710
Start of MODEL 17
1 H1 LEU 1 H LEU 1 1.355 -9.052 4.357
2 HA LEU 1 HA LEU 1 3.216 -8.512 2.640
3 HB2 LEU 1 2HB LEU 1 0.985 -9.731 1.077
4 HB3 LEU 1 3HB LEU 1 1.974 -8.474 0.337
5 HG LEU 1 HG LEU 1 3.880 -10.179 1.273
6 HD11 LEU 1 1HD1 LEU 1 2.440 -11.899 1.999
7 HD12 LEU 1 2HD1 LEU 1 3.092 -12.436 0.452
8 HD13 LEU 1 3HD1 LEU 1 1.452 -11.793 0.542
9 HD21 LEU 1 1HD2 LEU 1 2.479 -10.009 -1.380
10 HD22 LEU 1 2HD2 LEU 1 3.891 -11.035 -1.125
11 HD23 LEU 1 3HD2 LEU 1 4.015 -9.290 -0.898
12 H GLY 2 H GLY 2 3.313 -6.373 2.758
13 HA2 GLY 2 2HA GLY 2 1.254 -4.666 1.798
14 HA3 GLY 2 3HA GLY 2 1.240 -4.712 3.555
15 H GLN 3 H GLN 3 3.375 -4.128 0.781
16 HA GLN 3 HA GLN 3 5.090 -2.669 0.466
17 HB2 GLN 3 2HB GLN 3 3.360 -1.334 2.451
18 HB3 GLN 3 3HB GLN 3 5.012 -0.735 2.368
19 HG2 GLN 3 2HG GLN 3 4.775 -0.215 0.045
20 HG3 GLN 3 3HG GLN 3 3.193 -0.991 -0.013
21 HE21 GLN 3 1HE2 GLN 3 4.954 1.841 0.786
22 HE22 GLN 3 2HE2 GLN 3 3.605 2.825 1.230
23 H GLN 4 H GLN 4 6.308 -4.629 1.266
24 HA GLN 4 HA GLN 4 8.011 -5.552 2.460
25 HB2 GLN 4 2HB GLN 4 9.183 -3.527 1.833
26 HB3 GLN 4 3HB GLN 4 8.457 -2.650 3.173
27 HG2 GLN 4 2HG GLN 4 9.897 -3.491 4.684
28 HG3 GLN 4 3HG GLN 4 9.975 -5.066 3.896
29 HE21 GLN 4 1HE2 GLN 4 11.122 -5.028 1.737
30 HE22 GLN 4 2HE2 GLN 4 12.579 -4.104 1.654
31 H GLN 5 H GLN 5 6.399 -6.601 3.810
32 HA GLN 5 HA GLN 5 5.322 -5.643 6.157
33 HB2 GLN 5 2HB GLN 5 5.432 -8.088 6.919
34 HB3 GLN 5 3HB GLN 5 4.554 -7.740 5.436
35 HG2 GLN 5 2HG GLN 5 6.246 -8.625 4.089
36 HG3 GLN 5 3HG GLN 5 7.427 -8.586 5.398
37 HE21 GLN 5 1HE2 GLN 5 5.060 -10.407 3.788
38 HE22 GLN 5 2HE2 GLN 5 5.090 -11.798 4.811
39 H ALA 6 H ALA 6 8.538 -6.971 5.596
40 HA ALA 6 HA ALA 6 10.454 -6.898 6.824
41 HB1 ALA 6 1HB ALA 6 9.208 -4.929 8.700
42 HB2 ALA 6 2HB ALA 6 10.873 -5.029 8.126
43 HB3 ALA 6 3HB ALA 6 9.600 -4.463 7.044
44 H PHE 7 H PHE 7 9.728 -9.103 7.444
45 HA PHE 7 HA PHE 7 8.355 -9.770 9.741
46 HB2 PHE 7 2HB PHE 7 9.285 -11.919 9.554
47 HB3 PHE 7 3HB PHE 7 9.319 -11.298 7.907
48 HD1 PHE 7 HD1 PHE 7 11.119 -13.153 10.118
49 HD2 PHE 7 HD2 PHE 7 11.610 -9.810 7.529
50 HE1 PHE 7 HE1 PHE 7 13.536 -13.598 10.007
51 HE2 PHE 7 HE2 PHE 7 14.028 -10.250 7.414
52 HZ PHE 7 HZ PHE 7 14.994 -12.147 8.653
53 HA PRO 8 HA PRO 8 10.807 -8.651 13.202
54 HB2 PRO 8 2HB PRO 8 10.340 -10.717 14.900
55 HB3 PRO 8 3HB PRO 8 9.126 -9.488 14.525
56 HG2 PRO 8 2HG PRO 8 9.439 -12.247 13.405
57 HG3 PRO 8 3HG PRO 8 7.963 -11.408 13.916
58 HD2 PRO 8 2HD PRO 8 8.695 -11.615 11.317
59 HD3 PRO 8 3HD PRO 8 7.812 -10.211 11.951
60 HA PRO 9 HA PRO 9 14.751 -10.595 13.221
61 HB2 PRO 9 2HB PRO 9 15.509 -10.392 15.820
62 HB3 PRO 9 3HB PRO 9 15.433 -9.003 14.731
63 HG2 PRO 9 2HG PRO 9 13.452 -9.910 16.783
64 HG3 PRO 9 3HG PRO 9 14.017 -8.268 16.422
65 HD2 PRO 9 2HD PRO 9 11.649 -9.224 15.522
66 HD3 PRO 9 3HD PRO 9 12.614 -8.049 14.607
67 H GLN 10 H GLN 10 14.767 -12.736 12.817
68 HA GLN 10 HA GLN 10 14.379 -14.992 13.101
69 HB2 GLN 10 2HB GLN 10 15.691 -15.869 15.061
70 HB3 GLN 10 3HB GLN 10 16.582 -14.796 13.990
71 HG2 GLN 10 2HG GLN 10 16.394 -12.985 15.533
72 HG3 GLN 10 3HG GLN 10 15.293 -13.906 16.556
73 HE21 GLN 10 1HE2 GLN 10 16.153 -14.876 18.242
74 HE22 GLN 10 2HE2 GLN 10 17.820 -15.285 18.442
75 H GLN 11 H GLN 11 12.008 -14.354 13.453
76 HA GLN 11 HA GLN 11 11.111 -15.713 15.865
77 HB2 GLN 11 2HB GLN 11 10.841 -12.838 15.414
78 HB3 GLN 11 3HB GLN 11 9.303 -13.630 15.727
79 HG2 GLN 11 2HG GLN 11 10.929 -14.706 17.650
80 HG3 GLN 11 3HG GLN 11 11.513 -13.048 17.529
81 HE21 GLN 11 1HE2 GLN 11 9.511 -14.930 19.207
82 HE22 GLN 11 2HE2 GLN 11 8.300 -13.786 19.663
83 HA PRO 12 HA PRO 12 8.008 -17.388 13.258
84 HB2 PRO 12 2HB PRO 12 5.872 -17.566 14.925
85 HB3 PRO 12 3HB PRO 12 7.287 -18.616 15.061
86 HG2 PRO 12 2HG PRO 12 6.594 -16.159 16.625
87 HG3 PRO 12 3HG PRO 12 7.253 -17.702 17.199
88 HD2 PRO 12 2HD PRO 12 8.797 -15.510 16.815
89 HD3 PRO 12 3HD PRO 12 9.404 -17.161 16.571
90 H TYR 13 H TYR 13 6.195 -16.900 12.002
91 HA TYR 13 HA TYR 13 4.753 -14.422 12.518
92 HB2 TYR 13 2HB TYR 13 6.733 -13.775 11.164
93 HB3 TYR 13 3HB TYR 13 6.210 -14.892 9.909
94 HD1 TYR 13 HD1 TYR 13 5.567 -11.677 11.533
95 HD2 TYR 13 HD2 TYR 13 4.281 -14.386 8.514
96 HE1 TYR 13 HE1 TYR 13 4.181 -9.904 10.541
97 HE2 TYR 13 HE2 TYR 13 2.892 -12.620 7.513
98 HH TYR 13 HH TYR 13 2.717 -10.227 7.453
Start of MODEL 18
1 H1 LEU 1 H LEU 1 0.532 -1.762 0.322
2 HA LEU 1 HA LEU 1 2.028 -2.161 -1.485
3 HB2 LEU 1 2HB LEU 1 -0.463 -1.709 -2.038
4 HB3 LEU 1 3HB LEU 1 0.135 -0.198 -2.720
5 HG LEU 1 HG LEU 1 1.588 -2.525 -3.698
6 HD11 LEU 1 1HD1 LEU 1 -0.550 -2.928 -5.247
7 HD12 LEU 1 2HD1 LEU 1 -1.368 -2.528 -3.736
8 HD13 LEU 1 3HD1 LEU 1 -0.227 -3.872 -3.792
9 HD21 LEU 1 1HD2 LEU 1 0.293 -0.061 -4.758
10 HD22 LEU 1 2HD2 LEU 1 0.664 -1.375 -5.875
11 HD23 LEU 1 3HD2 LEU 1 1.954 -0.628 -4.931
12 H GLY 2 H GLY 2 4.020 -1.441 -1.836
13 HA2 GLY 2 2HA GLY 2 5.025 0.407 -3.349
14 HA3 GLY 2 3HA GLY 2 4.464 1.457 -2.056
15 H GLN 3 H GLN 3 6.155 -1.681 -2.150
16 HA GLN 3 HA GLN 3 8.069 -2.401 -1.155
17 HB2 GLN 3 2HB GLN 3 8.610 0.428 -1.801
18 HB3 GLN 3 3HB GLN 3 9.659 -0.280 -0.580
19 HG2 GLN 3 2HG GLN 3 10.363 -1.997 -2.089
20 HG3 GLN 3 3HG GLN 3 9.181 -1.486 -3.293
21 HE21 GLN 3 1HE2 GLN 3 12.162 -1.694 -3.313
22 HE22 GLN 3 2HE2 GLN 3 12.707 -0.144 -3.848
23 H GLN 4 H GLN 4 6.455 -2.791 0.637
24 HA GLN 4 HA GLN 4 7.622 -2.119 3.110
25 HB2 GLN 4 2HB GLN 4 6.478 0.054 2.556
26 HB3 GLN 4 3HB GLN 4 4.945 -0.802 2.644
27 HG2 GLN 4 2HG GLN 4 4.953 -0.118 4.771
28 HG3 GLN 4 3HG GLN 4 6.035 -1.489 5.017
29 HE21 GLN 4 1HE2 GLN 4 7.181 -0.621 6.685
30 HE22 GLN 4 2HE2 GLN 4 8.226 0.744 6.518
31 H GLN 5 H GLN 5 7.469 -4.407 3.188
32 HA GLN 5 HA GLN 5 5.339 -5.410 4.674
33 HB2 GLN 5 2HB GLN 5 4.676 -5.235 1.958
34 HB3 GLN 5 3HB GLN 5 5.044 -6.932 2.232
35 HG2 GLN 5 2HG GLN 5 3.141 -5.364 3.948
36 HG3 GLN 5 3HG GLN 5 2.642 -6.269 2.520
37 HE21 GLN 5 1HE2 GLN 5 1.347 -7.142 4.487
38 HE22 GLN 5 2HE2 GLN 5 2.002 -8.567 5.212
39 H ALA 6 H ALA 6 6.999 -6.317 5.853
40 HA ALA 6 HA ALA 6 7.769 -8.927 5.251
41 HB1 ALA 6 1HB ALA 6 9.623 -6.833 4.276
42 HB2 ALA 6 2HB ALA 6 10.336 -8.239 5.066
43 HB3 ALA 6 3HB ALA 6 9.306 -8.451 3.650
44 H PHE 7 H PHE 7 6.964 -8.824 7.460
45 HA PHE 7 HA PHE 7 8.081 -7.435 9.564
46 HB2 PHE 7 2HB PHE 7 7.016 -8.956 11.003
47 HB3 PHE 7 3HB PHE 7 6.043 -9.008 9.537
48 HD1 PHE 7 HD1 PHE 7 7.329 -10.980 12.009
49 HD2 PHE 7 HD2 PHE 7 7.100 -10.812 7.762
50 HE1 PHE 7 HE1 PHE 7 7.635 -13.419 11.899
51 HE2 PHE 7 HE2 PHE 7 7.405 -13.250 7.646
52 HZ PHE 7 HZ PHE 7 7.672 -14.558 9.716
53 HA PRO 8 HA PRO 8 12.098 -9.035 10.310
54 HB2 PRO 8 2HB PRO 8 12.220 -8.979 13.021
55 HB3 PRO 8 3HB PRO 8 12.263 -7.518 12.028
56 HG2 PRO 8 2HG PRO 8 9.961 -8.737 13.502
57 HG3 PRO 8 3HG PRO 8 10.435 -7.033 13.381
58 HD2 PRO 8 2HD PRO 8 8.437 -8.098 11.897
59 HD3 PRO 8 3HD PRO 8 9.469 -6.782 11.303
60 HA PRO 9 HA PRO 9 12.100 -13.338 11.212
61 HB2 PRO 9 2HB PRO 9 14.488 -13.690 12.455
62 HB3 PRO 9 3HB PRO 9 14.346 -13.351 10.727
63 HG2 PRO 9 2HG PRO 9 14.978 -11.482 12.978
64 HG3 PRO 9 3HG PRO 9 15.723 -11.593 11.373
65 HD2 PRO 9 2HD PRO 9 13.866 -9.722 11.990
66 HD3 PRO 9 3HD PRO 9 14.021 -10.412 10.362
67 H GLN 10 H GLN 10 11.593 -14.832 12.784
68 HA GLN 10 HA GLN 10 12.090 -14.604 15.522
69 HB2 GLN 10 2HB GLN 10 10.654 -12.710 15.615
70 HB3 GLN 10 3HB GLN 10 9.438 -13.495 14.616
71 HG2 GLN 10 2HG GLN 10 8.556 -14.643 16.343
72 HG3 GLN 10 3HG GLN 10 10.112 -14.846 17.147
73 HE21 GLN 10 1HE2 GLN 10 11.049 -12.614 17.853
74 HE22 GLN 10 2HE2 GLN 10 9.946 -11.617 18.732
75 H GLN 11 H GLN 11 12.487 -16.803 15.184
76 HA GLN 11 HA GLN 11 10.832 -18.673 14.013
77 HB2 GLN 11 2HB GLN 11 11.917 -20.302 15.668
78 HB3 GLN 11 3HB GLN 11 12.983 -19.406 14.595
79 HG2 GLN 11 2HG GLN 11 13.836 -18.121 16.283
80 HG3 GLN 11 3HG GLN 11 12.393 -18.283 17.283
81 HE21 GLN 11 1HE2 GLN 11 15.145 -20.095 16.013
82 HE22 GLN 11 2HE2 GLN 11 15.290 -21.166 17.361
83 HA PRO 12 HA PRO 12 7.329 -19.237 16.592
84 HB2 PRO 12 2HB PRO 12 6.917 -21.913 16.387
85 HB3 PRO 12 3HB PRO 12 6.590 -20.786 15.064
86 HG2 PRO 12 2HG PRO 12 8.969 -22.549 15.507
87 HG3 PRO 12 3HG PRO 12 8.075 -22.232 14.009
88 HD2 PRO 12 2HD PRO 12 10.427 -21.020 14.587
89 HD3 PRO 12 3HD PRO 12 9.149 -20.225 13.645
90 H TYR 13 H TYR 13 7.970 -18.763 18.676
91 HA TYR 13 HA TYR 13 9.186 -20.928 20.246
92 HB2 TYR 13 2HB TYR 13 10.212 -18.579 20.161
93 HB3 TYR 13 3HB TYR 13 8.848 -18.074 21.152
94 HD1 TYR 13 HD1 TYR 13 9.296 -17.906 23.399
95 HD2 TYR 13 HD2 TYR 13 11.317 -20.890 21.138
96 HE1 TYR 13 HE1 TYR 13 10.497 -18.618 25.424
97 HE2 TYR 13 HE2 TYR 13 12.523 -21.611 23.156
98 HH TYR 13 HH TYR 13 13.156 -20.223 25.515
Start of MODEL 19
1 H1 LEU 1 H LEU 1 5.616 1.218 4.740
2 HA LEU 1 HA LEU 1 5.221 -1.340 5.736
3 HB2 LEU 1 2HB LEU 1 2.971 0.164 6.202
4 HB3 LEU 1 3HB LEU 1 2.583 -0.654 4.690
5 HG LEU 1 HG LEU 1 3.591 -2.655 6.353
6 HD11 LEU 1 1HD1 LEU 1 2.049 -2.449 8.315
7 HD12 LEU 1 2HD1 LEU 1 1.797 -0.765 7.859
8 HD13 LEU 1 3HD1 LEU 1 3.406 -1.323 8.315
9 HD21 LEU 1 1HD2 LEU 1 1.895 -3.364 5.031
10 HD22 LEU 1 2HD2 LEU 1 0.989 -1.859 5.194
11 HD23 LEU 1 3HD2 LEU 1 0.952 -3.056 6.489
12 H GLY 2 H GLY 2 6.424 -2.044 4.041
13 HA2 GLY 2 2HA GLY 2 5.573 -1.361 1.321
14 HA3 GLY 2 3HA GLY 2 7.098 -2.111 1.769
15 H GLN 3 H GLN 3 6.029 -4.171 3.412
16 HA GLN 3 HA GLN 3 5.281 -6.314 3.267
17 HB2 GLN 3 2HB GLN 3 3.294 -4.750 1.743
18 HB3 GLN 3 3HB GLN 3 3.313 -6.476 1.406
19 HG2 GLN 3 2HG GLN 3 2.905 -6.994 3.705
20 HG3 GLN 3 3HG GLN 3 3.087 -5.302 4.165
21 HE21 GLN 3 1HE2 GLN 3 0.842 -7.316 4.332
22 HE22 GLN 3 2HE2 GLN 3 -0.518 -6.489 3.661
23 H GLN 4 H GLN 4 7.482 -6.534 2.230
24 HA GLN 4 HA GLN 4 7.311 -8.291 0.035
25 HB2 GLN 4 2HB GLN 4 6.982 -6.087 -1.137
26 HB3 GLN 4 3HB GLN 4 8.609 -5.648 -0.635
27 HG2 GLN 4 2HG GLN 4 9.560 -6.878 -2.233
28 HG3 GLN 4 3HG GLN 4 8.463 -8.233 -1.975
29 HE21 GLN 4 1HE2 GLN 4 8.465 -4.937 -3.285
30 HE22 GLN 4 2HE2 GLN 4 7.434 -5.286 -4.627
31 H GLN 5 H GLN 5 8.435 -9.214 1.980
32 HA GLN 5 HA GLN 5 10.306 -9.932 3.066
33 HB2 GLN 5 2HB GLN 5 10.693 -10.438 0.514
34 HB3 GLN 5 3HB GLN 5 11.944 -9.213 0.669
35 HG2 GLN 5 2HG GLN 5 13.149 -11.099 1.094
36 HG3 GLN 5 3HG GLN 5 12.670 -10.650 2.730
37 HE21 GLN 5 1HE2 GLN 5 11.687 -12.645 -0.018
38 HE22 GLN 5 2HE2 GLN 5 11.001 -13.919 0.926
39 H ALA 6 H ALA 6 10.214 -8.106 4.519
40 HA ALA 6 HA ALA 6 12.667 -6.835 4.882
41 HB1 ALA 6 1HB ALA 6 12.554 -5.207 3.349
42 HB2 ALA 6 2HB ALA 6 10.814 -5.398 3.131
43 HB3 ALA 6 3HB ALA 6 11.435 -4.439 4.475
44 H PHE 7 H PHE 7 12.037 -7.754 6.927
45 HA PHE 7 HA PHE 7 10.619 -5.824 8.574
46 HB2 PHE 7 2HB PHE 7 8.942 -7.210 9.350
47 HB3 PHE 7 3HB PHE 7 9.053 -7.741 7.675
48 HD1 PHE 7 HD1 PHE 7 8.557 -8.936 10.794
49 HD2 PHE 7 HD2 PHE 7 11.149 -9.570 7.477
50 HE1 PHE 7 HE1 PHE 7 8.967 -11.239 11.558
51 HE2 PHE 7 HE2 PHE 7 11.562 -11.874 8.235
52 HZ PHE 7 HZ PHE 7 10.470 -12.711 10.278
53 HA PRO 8 HA PRO 8 13.648 -6.860 11.573
54 HB2 PRO 8 2HB PRO 8 12.272 -6.564 13.894
55 HB3 PRO 8 3HB PRO 8 12.765 -5.196 12.889
56 HG2 PRO 8 2HG PRO 8 10.106 -6.561 13.058
57 HG3 PRO 8 3HG PRO 8 10.470 -4.828 12.977
58 HD2 PRO 8 2HD PRO 8 9.666 -6.249 10.818
59 HD3 PRO 8 3HD PRO 8 10.778 -4.870 10.693
60 HA PRO 9 HA PRO 9 13.407 -11.041 12.914
61 HB2 PRO 9 2HB PRO 9 14.750 -10.994 15.273
62 HB3 PRO 9 3HB PRO 9 15.552 -10.820 13.707
63 HG2 PRO 9 2HG PRO 9 14.748 -8.706 15.669
64 HG3 PRO 9 3HG PRO 9 16.252 -8.858 14.742
65 HD2 PRO 9 2HD PRO 9 14.254 -7.184 14.012
66 HD3 PRO 9 3HD PRO 9 15.309 -7.983 12.830
67 H GLN 10 H GLN 10 11.510 -11.895 13.504
68 HA GLN 10 HA GLN 10 10.707 -12.122 16.168
69 HB2 GLN 10 2HB GLN 10 10.066 -9.831 16.160
70 HB3 GLN 10 3HB GLN 10 9.286 -9.982 14.591
71 HG2 GLN 10 2HG GLN 10 7.409 -10.943 15.454
72 HG3 GLN 10 3HG GLN 10 8.266 -11.648 16.824
73 HE21 GLN 10 1HE2 GLN 10 5.976 -9.524 16.104
74 HE22 GLN 10 2HE2 GLN 10 6.174 -8.381 17.384
75 H GLN 11 H GLN 11 10.502 -14.260 15.473
76 HA GLN 11 HA GLN 11 8.221 -14.792 13.687
77 HB2 GLN 11 2HB GLN 11 9.353 -17.088 13.456
78 HB3 GLN 11 3HB GLN 11 10.090 -15.722 12.629
79 HG2 GLN 11 2HG GLN 11 11.719 -15.503 14.431
80 HG3 GLN 11 3HG GLN 11 10.978 -16.866 15.268
81 HE21 GLN 11 1HE2 GLN 11 11.915 -16.253 11.900
82 HE22 GLN 11 2HE2 GLN 11 12.882 -17.675 11.731
83 HA PRO 12 HA PRO 12 7.012 -16.204 17.942
84 HB2 PRO 12 2HB PRO 12 4.502 -15.177 17.823
85 HB3 PRO 12 3HB PRO 12 5.900 -14.237 18.359
86 HG2 PRO 12 2HG PRO 12 4.557 -14.277 15.684
87 HG3 PRO 12 3HG PRO 12 5.150 -12.891 16.618
88 HD2 PRO 12 2HD PRO 12 6.537 -13.954 14.550
89 HD3 PRO 12 3HD PRO 12 7.333 -13.218 15.955
90 H TYR 13 H TYR 13 6.909 -18.371 17.450
91 HA TYR 13 HA TYR 13 4.898 -19.366 15.615
92 HB2 TYR 13 2HB TYR 13 7.366 -20.259 16.168
93 HB3 TYR 13 3HB TYR 13 6.458 -21.237 17.316
94 HD1 TYR 13 HD1 TYR 13 4.599 -22.711 16.444
95 HD2 TYR 13 HD2 TYR 13 7.406 -20.806 13.876
96 HE1 TYR 13 HE1 TYR 13 4.017 -24.287 14.648
97 HE2 TYR 13 HE2 TYR 13 6.831 -22.376 12.073
98 HH TYR 13 HH TYR 13 5.544 -24.070 11.447
Start of MODEL 20
1 H1 LEU 1 H LEU 1 1.595 -0.258 4.479
2 HA LEU 1 HA LEU 1 1.302 -2.521 3.080
3 HB2 LEU 1 2HB LEU 1 0.368 0.206 2.753
4 HB3 LEU 1 3HB LEU 1 0.467 -0.647 1.215
5 HG LEU 1 HG LEU 1 -0.890 -2.492 2.442
6 HD11 LEU 1 1HD1 LEU 1 -1.212 -0.121 4.245
7 HD12 LEU 1 2HD1 LEU 1 -0.890 -1.803 4.665
8 HD13 LEU 1 3HD1 LEU 1 -2.486 -1.330 4.083
9 HD21 LEU 1 1HD2 LEU 1 -2.268 -1.713 0.877
10 HD22 LEU 1 2HD2 LEU 1 -1.642 -0.072 1.039
11 HD23 LEU 1 3HD2 LEU 1 -2.923 -0.638 2.112
12 H GLY 2 H GLY 2 3.144 -3.471 2.272
13 HA2 GLY 2 2HA GLY 2 3.850 -2.975 -0.378
14 HA3 GLY 2 3HA GLY 2 5.038 -2.161 0.628
15 H GLN 3 H GLN 3 5.300 -3.930 2.722
16 HA GLN 3 HA GLN 3 6.433 -5.797 3.356
17 HB2 GLN 3 2HB GLN 3 4.652 -6.732 1.195
18 HB3 GLN 3 3HB GLN 3 6.018 -7.781 1.552
19 HG2 GLN 3 2HG GLN 3 5.334 -8.002 3.834
20 HG3 GLN 3 3HG GLN 3 4.070 -6.792 3.619
21 HE21 GLN 3 1HE2 GLN 3 2.434 -7.330 1.920
22 HE22 GLN 3 2HE2 GLN 3 1.904 -8.971 1.827
23 H GLN 4 H GLN 4 8.283 -4.361 2.661
24 HA GLN 4 HA GLN 4 10.210 -5.905 1.307
25 HB2 GLN 4 2HB GLN 4 8.846 -5.091 -0.646
26 HB3 GLN 4 3HB GLN 4 9.337 -3.455 -0.226
27 HG2 GLN 4 2HG GLN 4 11.455 -3.743 -0.979
28 HG3 GLN 4 3HG GLN 4 11.484 -5.459 -0.577
29 HE21 GLN 4 1HE2 GLN 4 12.558 -5.198 -2.821
30 HE22 GLN 4 2HE2 GLN 4 11.514 -5.478 -4.169
31 H GLN 5 H GLN 5 11.115 -5.329 3.382
32 HA GLN 5 HA GLN 5 13.040 -3.318 3.246
33 HB2 GLN 5 2HB GLN 5 10.562 -2.220 3.811
34 HB3 GLN 5 3HB GLN 5 11.307 -2.378 5.396
35 HG2 GLN 5 2HG GLN 5 13.327 -1.320 3.859
36 HG3 GLN 5 3HG GLN 5 11.882 -0.523 3.238
37 HE21 GLN 5 1HE2 GLN 5 11.475 1.328 4.184
38 HE22 GLN 5 2HE2 GLN 5 11.805 1.734 5.831
39 H ALA 6 H ALA 6 12.736 -6.056 4.042
40 HA ALA 6 HA ALA 6 13.563 -7.497 5.598
41 HB1 ALA 6 1HB ALA 6 15.380 -5.699 5.614
42 HB2 ALA 6 2HB ALA 6 14.649 -5.152 7.123
43 HB3 ALA 6 3HB ALA 6 15.297 -6.788 6.999
44 H PHE 7 H PHE 7 11.228 -7.739 6.107
45 HA PHE 7 HA PHE 7 9.867 -6.441 8.124
46 HB2 PHE 7 2HB PHE 7 8.368 -8.249 8.141
47 HB3 PHE 7 3HB PHE 7 9.052 -8.281 6.519
48 HD1 PHE 7 HD1 PHE 7 8.312 -10.189 9.374
49 HD2 PHE 7 HD2 PHE 7 11.143 -9.822 6.218
50 HE1 PHE 7 HE1 PHE 7 8.989 -12.530 9.713
51 HE2 PHE 7 HE2 PHE 7 11.824 -12.162 6.551
52 HZ PHE 7 HZ PHE 7 10.746 -13.520 8.300
53 HA PRO 8 HA PRO 8 11.712 -7.510 11.958
54 HB2 PRO 8 2HB PRO 8 9.541 -7.734 13.573
55 HB3 PRO 8 3HB PRO 8 10.130 -6.182 12.965
56 HG2 PRO 8 2HG PRO 8 7.878 -7.879 11.960
57 HG3 PRO 8 3HG PRO 8 7.942 -6.120 12.181
58 HD2 PRO 8 2HD PRO 8 8.258 -7.297 9.763
59 HD3 PRO 8 3HD PRO 8 9.080 -5.787 10.205
60 HA PRO 9 HA PRO 9 11.433 -12.009 11.707
61 HB2 PRO 9 2HB PRO 9 13.779 -12.450 12.999
62 HB3 PRO 9 3HB PRO 9 13.692 -12.013 11.289
63 HG2 PRO 9 2HG PRO 9 14.266 -10.279 13.661
64 HG3 PRO 9 3HG PRO 9 15.060 -10.305 12.075
65 HD2 PRO 9 2HD PRO 9 13.196 -8.457 12.742
66 HD3 PRO 9 3HD PRO 9 13.397 -9.056 11.082
67 H GLN 10 H GLN 10 9.891 -12.723 13.078
68 HA GLN 10 HA GLN 10 10.522 -13.563 15.664
69 HB2 GLN 10 2HB GLN 10 10.492 -11.299 16.395
70 HB3 GLN 10 3HB GLN 10 9.014 -10.958 15.506
71 HG2 GLN 10 2HG GLN 10 8.675 -13.100 17.433
72 HG3 GLN 10 3HG GLN 10 9.212 -11.595 18.178
73 HE21 GLN 10 1HE2 GLN 10 6.579 -13.237 17.829
74 HE22 GLN 10 2HE2 GLN 10 5.411 -12.002 17.519
75 H GLN 11 H GLN 11 9.525 -15.414 14.845
76 HA GLN 11 HA GLN 11 6.602 -15.236 14.524
77 HB2 GLN 11 2HB GLN 11 6.948 -17.519 13.358
78 HB3 GLN 11 3HB GLN 11 7.385 -16.054 12.488
79 HG2 GLN 11 2HG GLN 11 9.646 -16.450 12.681
80 HG3 GLN 11 3HG GLN 11 9.448 -17.497 14.085
81 HE21 GLN 11 1HE2 GLN 11 10.298 -17.508 10.967
82 HE22 GLN 11 2HE2 GLN 11 9.854 -19.117 10.524
83 HA PRO 12 HA PRO 12 5.960 -17.807 18.019
84 HB2 PRO 12 2HB PRO 12 3.839 -19.307 17.230
85 HB3 PRO 12 3HB PRO 12 3.706 -17.591 17.632
86 HG2 PRO 12 2HG PRO 12 3.908 -18.896 14.946
87 HG3 PRO 12 3HG PRO 12 2.857 -17.567 15.467
88 HD2 PRO 12 2HD PRO 12 5.133 -17.158 14.057
89 HD3 PRO 12 3HD PRO 12 4.530 -15.995 15.255
90 H TYR 13 H TYR 13 6.731 -19.675 18.839
91 HA TYR 13 HA TYR 13 7.557 -21.752 16.924
92 HB2 TYR 13 2HB TYR 13 9.339 -20.555 18.269
93 HB3 TYR 13 3HB TYR 13 8.663 -21.322 19.701
94 HD1 TYR 13 HD1 TYR 13 10.474 -21.899 16.553
95 HD2 TYR 13 HD2 TYR 13 9.018 -23.661 20.142
96 HE1 TYR 13 HE1 TYR 13 11.858 -23.888 16.131
97 HE2 TYR 13 HE2 TYR 13 10.399 -25.654 19.730
98 HH TYR 13 HH TYR 13 12.908 -25.793 17.830
Start of MODEL 21
1 H1 LEU 1 H LEU 1 4.856 1.476 -2.605
2 HA LEU 1 HA LEU 1 4.232 0.257 -4.763
3 HB2 LEU 1 2HB LEU 1 7.021 1.224 -5.224
4 HB3 LEU 1 3HB LEU 1 6.479 -0.274 -5.978
5 HG LEU 1 HG LEU 1 4.495 1.293 -6.789
6 HD11 LEU 1 1HD1 LEU 1 6.775 3.242 -6.763
7 HD12 LEU 1 2HD1 LEU 1 5.561 3.213 -5.485
8 HD13 LEU 1 3HD1 LEU 1 5.079 3.527 -7.153
9 HD21 LEU 1 1HD2 LEU 1 6.366 -0.009 -8.046
10 HD22 LEU 1 2HD2 LEU 1 7.100 1.585 -8.224
11 HD23 LEU 1 3HD2 LEU 1 5.488 1.279 -8.871
12 H GLY 2 H GLY 2 3.904 -0.998 -2.770
13 HA2 GLY 2 2HA GLY 2 5.208 -3.421 -2.769
14 HA3 GLY 2 3HA GLY 2 6.082 -2.437 -1.604
15 H GLN 3 H GLN 3 4.575 -1.269 0.000
16 HA GLN 3 HA GLN 3 3.126 -1.429 1.745
17 HB2 GLN 3 2HB GLN 3 1.638 -2.568 -0.537
18 HB3 GLN 3 3HB GLN 3 1.025 -3.001 1.053
19 HG2 GLN 3 2HG GLN 3 0.726 -0.701 1.636
20 HG3 GLN 3 3HG GLN 3 1.529 -0.175 0.157
21 HE21 GLN 3 1HE2 GLN 3 0.367 0.050 -1.659
22 HE22 GLN 3 2HE2 GLN 3 -1.314 -0.320 -1.803
23 H GLN 4 H GLN 4 4.985 -2.776 2.580
24 HA GLN 4 HA GLN 4 3.975 -5.022 3.946
25 HB2 GLN 4 2HB GLN 4 4.293 -6.008 1.652
26 HB3 GLN 4 3HB GLN 4 6.018 -5.716 1.833
27 HG2 GLN 4 2HG GLN 4 5.888 -7.121 3.937
28 HG3 GLN 4 3HG GLN 4 4.276 -7.590 3.400
29 HE21 GLN 4 1HE2 GLN 4 4.106 -9.254 2.064
30 HE22 GLN 4 2HE2 GLN 4 5.409 -9.991 1.203
31 H GLN 5 H GLN 5 4.878 -3.532 5.524
32 HA GLN 5 HA GLN 5 7.502 -2.730 5.741
33 HB2 GLN 5 2HB GLN 5 5.247 -2.707 7.386
34 HB3 GLN 5 3HB GLN 5 6.468 -3.559 8.321
35 HG2 GLN 5 2HG GLN 5 7.959 -1.714 8.209
36 HG3 GLN 5 3HG GLN 5 6.942 -0.889 7.029
37 HE21 GLN 5 1HE2 GLN 5 7.568 -1.454 10.329
38 HE22 GLN 5 2HE2 GLN 5 6.281 -0.500 10.977
39 H ALA 6 H ALA 6 6.071 -5.815 6.714
40 HA ALA 6 HA ALA 6 6.994 -7.846 7.167
41 HB1 ALA 6 1HB ALA 6 9.646 -6.945 6.132
42 HB2 ALA 6 2HB ALA 6 8.846 -8.508 5.965
43 HB3 ALA 6 3HB ALA 6 8.287 -7.126 5.023
44 H PHE 7 H PHE 7 6.758 -7.060 9.425
45 HA PHE 7 HA PHE 7 8.737 -5.890 10.948
46 HB2 PHE 7 2HB PHE 7 7.598 -6.670 12.848
47 HB3 PHE 7 3HB PHE 7 6.346 -6.574 11.614
48 HD1 PHE 7 HD1 PHE 7 6.155 -8.846 10.178
49 HD2 PHE 7 HD2 PHE 7 7.579 -8.529 14.177
50 HE1 PHE 7 HE1 PHE 7 5.592 -11.210 10.562
51 HE2 PHE 7 HE2 PHE 7 7.019 -10.893 14.567
52 HZ PHE 7 HZ PHE 7 6.025 -12.237 12.758
53 HA PRO 8 HA PRO 8 12.046 -8.741 11.356
54 HB2 PRO 8 2HB PRO 8 12.816 -8.330 13.926
55 HB3 PRO 8 3HB PRO 8 13.108 -7.157 12.637
56 HG2 PRO 8 2HG PRO 8 10.948 -7.195 14.709
57 HG3 PRO 8 3HG PRO 8 11.920 -5.829 14.130
58 HD2 PRO 8 2HD PRO 8 9.391 -6.281 13.277
59 HD3 PRO 8 3HD PRO 8 10.632 -5.549 12.240
60 HA PRO 9 HA PRO 9 9.802 -12.269 13.063
61 HB2 PRO 9 2HB PRO 9 11.305 -14.130 11.779
62 HB3 PRO 9 3HB PRO 9 9.992 -13.246 10.992
63 HG2 PRO 9 2HG PRO 9 12.942 -12.749 10.883
64 HG3 PRO 9 3HG PRO 9 11.752 -12.710 9.569
65 HD2 PRO 9 2HD PRO 9 12.676 -10.463 10.764
66 HD3 PRO 9 3HD PRO 9 11.027 -10.593 10.119
67 H GLN 10 H GLN 10 10.191 -13.333 14.910
68 HA GLN 10 HA GLN 10 12.929 -14.018 15.651
69 HB2 GLN 10 2HB GLN 10 12.424 -13.130 17.999
70 HB3 GLN 10 3HB GLN 10 12.802 -11.948 16.753
71 HG2 GLN 10 2HG GLN 10 10.574 -11.257 16.572
72 HG3 GLN 10 3HG GLN 10 9.976 -12.676 17.429
73 HE21 GLN 10 1HE2 GLN 10 12.606 -10.448 18.219
74 HE22 GLN 10 2HE2 GLN 10 11.955 -9.939 19.736
75 H GLN 11 H GLN 11 11.878 -16.099 15.039
76 HA GLN 11 HA GLN 11 10.945 -17.423 17.432
77 HB2 GLN 11 2HB GLN 11 8.873 -16.532 16.326
78 HB3 GLN 11 3HB GLN 11 9.244 -17.547 14.939
79 HG2 GLN 11 2HG GLN 11 9.334 -19.198 17.224
80 HG3 GLN 11 3HG GLN 11 7.872 -18.219 17.339
81 HE21 GLN 11 1HE2 GLN 11 9.083 -21.042 16.212
82 HE22 GLN 11 2HE2 GLN 11 7.938 -21.379 14.963
83 HA PRO 12 HA PRO 12 13.734 -19.899 14.664
84 HB2 PRO 12 2HB PRO 12 15.445 -20.622 16.644
85 HB3 PRO 12 3HB PRO 12 15.612 -19.117 15.732
86 HG2 PRO 12 2HG PRO 12 14.419 -19.567 18.440
87 HG3 PRO 12 3HG PRO 12 15.497 -18.269 17.894
88 HD2 PRO 12 2HD PRO 12 12.822 -17.933 18.143
89 HD3 PRO 12 3HD PRO 12 13.780 -17.086 16.912
90 H TYR 13 H TYR 13 13.129 -21.924 14.255
91 HA TYR 13 HA TYR 13 12.393 -23.670 16.505
92 HB2 TYR 13 2HB TYR 13 10.392 -22.749 15.227
93 HB3 TYR 13 3HB TYR 13 10.948 -23.702 13.856
94 HD1 TYR 13 HD1 TYR 13 10.655 -26.080 13.800
95 HD2 TYR 13 HD2 TYR 13 9.589 -23.868 17.275
96 HE1 TYR 13 HE1 TYR 13 9.463 -28.044 14.677
97 HE2 TYR 13 HE2 TYR 13 8.394 -25.826 18.162
98 HH TYR 13 HH TYR 13 8.327 -28.900 16.382
Start of MODEL 22
1 H1 LEU 1 H LEU 1 3.824 -5.179 -2.771
2 HA LEU 1 HA LEU 1 3.746 -3.190 -0.894
3 HB2 LEU 1 2HB LEU 1 1.231 -4.649 -1.054
4 HB3 LEU 1 3HB LEU 1 1.936 -4.677 0.562
5 HG LEU 1 HG LEU 1 1.903 -2.011 -0.623
6 HD11 LEU 1 1HD1 LEU 1 -0.690 -3.484 -0.208
7 HD12 LEU 1 2HD1 LEU 1 -0.116 -2.713 -1.686
8 HD13 LEU 1 3HD1 LEU 1 -0.551 -1.728 -0.290
9 HD21 LEU 1 1HD2 LEU 1 0.834 -3.192 1.939
10 HD22 LEU 1 2HD2 LEU 1 0.928 -1.470 1.569
11 HD23 LEU 1 3HD2 LEU 1 2.406 -2.423 1.713
12 H GLY 2 H GLY 2 4.994 -3.712 0.846
13 HA2 GLY 2 2HA GLY 2 6.262 -6.303 0.796
14 HA3 GLY 2 3HA GLY 2 6.665 -4.962 1.858
15 H GLN 3 H GLN 3 4.150 -4.545 3.031
16 HA GLN 3 HA GLN 3 2.885 -5.237 4.790
17 HB2 GLN 3 2HB GLN 3 3.068 -7.616 3.050
18 HB3 GLN 3 3HB GLN 3 2.611 -7.936 4.718
19 HG2 GLN 3 2HG GLN 3 0.720 -6.482 4.548
20 HG3 GLN 3 3HG GLN 3 1.225 -5.940 2.948
21 HE21 GLN 3 1HE2 GLN 3 0.349 -6.918 1.269
22 HE22 GLN 3 2HE2 GLN 3 -0.453 -8.448 1.290
23 H GLN 4 H GLN 4 4.945 -4.601 5.939
24 HA GLN 4 HA GLN 4 6.432 -4.924 7.629
25 HB2 GLN 4 2HB GLN 4 4.472 -5.900 8.746
26 HB3 GLN 4 3HB GLN 4 4.852 -7.468 8.047
27 HG2 GLN 4 2HG GLN 4 5.850 -7.809 10.024
28 HG3 GLN 4 3HG GLN 4 7.181 -6.931 9.272
29 HE21 GLN 4 1HE2 GLN 4 8.054 -5.793 10.868
30 HE22 GLN 4 2HE2 GLN 4 7.201 -4.716 11.915
31 H GLN 5 H GLN 5 8.105 -5.156 6.017
32 HA GLN 5 HA GLN 5 8.944 -7.477 4.799
33 HB2 GLN 5 2HB GLN 5 9.950 -4.893 5.117
34 HB3 GLN 5 3HB GLN 5 11.214 -5.941 5.748
35 HG2 GLN 5 2HG GLN 5 10.554 -7.219 3.442
36 HG3 GLN 5 3HG GLN 5 10.301 -5.531 3.001
37 HE21 GLN 5 1HE2 GLN 5 12.002 -4.745 2.008
38 HE22 GLN 5 2HE2 GLN 5 13.654 -5.060 2.401
39 H ALA 6 H ALA 6 9.492 -6.409 8.101
40 HA ALA 6 HA ALA 6 10.245 -7.497 9.953
41 HB1 ALA 6 1HB ALA 6 10.081 -10.084 8.441
42 HB2 ALA 6 2HB ALA 6 9.844 -9.792 10.165
43 HB3 ALA 6 3HB ALA 6 8.635 -9.244 9.003
44 H PHE 7 H PHE 7 12.286 -6.379 9.353
45 HA PHE 7 HA PHE 7 14.370 -7.746 8.011
46 HB2 PHE 7 2HB PHE 7 13.979 -5.187 9.129
47 HB3 PHE 7 3HB PHE 7 15.391 -5.862 9.934
48 HD1 PHE 7 HD1 PHE 7 13.996 -4.711 6.763
49 HD2 PHE 7 HD2 PHE 7 17.413 -6.353 8.699
50 HE1 PHE 7 HE1 PHE 7 15.375 -4.137 4.809
51 HE2 PHE 7 HE2 PHE 7 18.798 -5.780 6.748
52 HZ PHE 7 HZ PHE 7 17.780 -4.670 4.800
53 HA PRO 8 HA PRO 8 16.062 -8.749 12.424
54 HB2 PRO 8 2HB PRO 8 14.410 -8.281 14.527
55 HB3 PRO 8 3HB PRO 8 15.532 -7.069 13.899
56 HG2 PRO 8 2HG PRO 8 12.597 -7.374 13.396
57 HG3 PRO 8 3HG PRO 8 13.529 -5.901 13.718
58 HD2 PRO 8 2HD PRO 8 12.767 -6.627 11.223
59 HD3 PRO 8 3HD PRO 8 14.276 -5.748 11.542
60 HA PRO 9 HA PRO 9 14.158 -12.689 12.854
61 HB2 PRO 9 2HB PRO 9 14.913 -13.452 15.348
62 HB3 PRO 9 3HB PRO 9 16.036 -13.377 13.985
63 HG2 PRO 9 2HG PRO 9 15.595 -11.398 16.187
64 HG3 PRO 9 3HG PRO 9 17.120 -11.965 15.482
65 HD2 PRO 9 2HD PRO 9 15.998 -9.594 14.812
66 HD3 PRO 9 3HD PRO 9 16.948 -10.559 13.664
67 H GLN 10 H GLN 10 12.014 -12.904 12.992
68 HA GLN 10 HA GLN 10 10.648 -13.139 15.416
69 HB2 GLN 10 2HB GLN 10 10.800 -10.783 15.717
70 HB3 GLN 10 3HB GLN 10 10.354 -10.470 14.045
71 HG2 GLN 10 2HG GLN 10 8.147 -10.693 14.444
72 HG3 GLN 10 3HG GLN 10 8.382 -11.949 15.659
73 HE21 GLN 10 1HE2 GLN 10 7.312 -8.911 15.224
74 HE22 GLN 10 2HE2 GLN 10 7.565 -8.267 16.807
75 H GLN 11 H GLN 11 9.893 -14.970 14.343
76 HA GLN 11 HA GLN 11 7.708 -14.439 12.465
77 HB2 GLN 11 2HB GLN 11 10.138 -16.042 11.963
78 HB3 GLN 11 3HB GLN 11 8.622 -16.795 11.485
79 HG2 GLN 11 2HG GLN 11 8.159 -15.170 9.908
80 HG3 GLN 11 3HG GLN 11 9.231 -13.991 10.661
81 HE21 GLN 11 1HE2 GLN 11 8.878 -15.971 8.083
82 HE22 GLN 11 2HE2 GLN 11 10.534 -16.173 7.635
83 HA PRO 12 HA PRO 12 6.482 -17.248 15.952
84 HB2 PRO 12 2HB PRO 12 4.164 -15.944 16.496
85 HB3 PRO 12 3HB PRO 12 5.716 -15.480 17.204
86 HG2 PRO 12 2HG PRO 12 4.265 -14.288 14.872
87 HG3 PRO 12 3HG PRO 12 5.112 -13.472 16.199
88 HD2 PRO 12 2HD PRO 12 6.218 -13.802 13.749
89 HD3 PRO 12 3HD PRO 12 7.184 -13.788 15.239
90 H TYR 13 H TYR 13 5.662 -19.095 15.207
91 HA TYR 13 HA TYR 13 3.561 -19.006 13.159
92 HB2 TYR 13 2HB TYR 13 5.755 -20.330 12.857
93 HB3 TYR 13 3HB TYR 13 5.062 -21.476 13.998
94 HD1 TYR 13 HD1 TYR 13 4.114 -19.677 10.859
95 HD2 TYR 13 HD2 TYR 13 3.881 -23.261 13.139
96 HE1 TYR 13 HE1 TYR 13 2.894 -20.761 9.019
97 HE2 TYR 13 HE2 TYR 13 2.662 -24.356 11.305
98 HH TYR 13 HH TYR 13 2.512 -24.004 8.726
Start of MODEL 23
1 H1 LEU 1 H LEU 1 6.989 -1.295 2.428
2 HA LEU 1 HA LEU 1 6.496 -3.664 3.216
3 HB2 LEU 1 2HB LEU 1 4.749 -1.529 2.655
4 HB3 LEU 1 3HB LEU 1 3.945 -2.994 2.094
5 HG LEU 1 HG LEU 1 4.540 -3.900 4.465
6 HD11 LEU 1 1HD1 LEU 1 5.696 -2.440 5.694
7 HD12 LEU 1 2HD1 LEU 1 4.162 -1.593 5.893
8 HD13 LEU 1 3HD1 LEU 1 5.292 -1.088 4.637
9 HD21 LEU 1 1HD2 LEU 1 2.343 -3.726 4.741
10 HD22 LEU 1 2HD2 LEU 1 2.300 -2.685 3.318
11 HD23 LEU 1 3HD2 LEU 1 2.450 -1.975 4.926
12 H GLY 2 H GLY 2 6.376 -5.697 2.519
13 HA2 GLY 2 2HA GLY 2 5.089 -6.340 0.003
14 HA3 GLY 2 3HA GLY 2 6.823 -6.622 0.033
15 H GLN 3 H GLN 3 3.762 -7.501 1.547
16 HA GLN 3 HA GLN 3 3.056 -9.412 2.556
17 HB2 GLN 3 2HB GLN 3 5.184 -10.310 0.718
18 HB3 GLN 3 3HB GLN 3 4.785 -11.431 2.012
19 HG2 GLN 3 2HG GLN 3 2.498 -11.521 1.316
20 HG3 GLN 3 3HG GLN 3 2.761 -10.240 0.134
21 HE21 GLN 3 1HE2 GLN 3 1.895 -11.742 -1.411
22 HE22 GLN 3 2HE2 GLN 3 2.914 -12.957 -2.096
23 H GLN 4 H GLN 4 3.800 -8.127 4.496
24 HA GLN 4 HA GLN 4 4.822 -7.984 6.527
25 HB2 GLN 4 2HB GLN 4 3.713 -10.135 6.821
26 HB3 GLN 4 3HB GLN 4 5.074 -10.963 6.076
27 HG2 GLN 4 2HG GLN 4 6.433 -10.671 7.911
28 HG3 GLN 4 3HG GLN 4 5.516 -9.286 8.500
29 HE21 GLN 4 1HE2 GLN 4 5.006 -9.945 10.502
30 HE22 GLN 4 2HE2 GLN 4 4.077 -11.356 10.866
31 H GLN 5 H GLN 5 6.564 -6.785 5.424
32 HA GLN 5 HA GLN 5 8.920 -7.833 4.461
33 HB2 GLN 5 2HB GLN 5 7.975 -5.297 5.144
34 HB3 GLN 5 3HB GLN 5 9.434 -5.499 6.104
35 HG2 GLN 5 2HG GLN 5 10.716 -5.982 4.105
36 HG3 GLN 5 3HG GLN 5 9.257 -5.862 3.122
37 HE21 GLN 5 1HE2 GLN 5 9.230 -4.054 2.013
38 HE22 GLN 5 2HE2 GLN 5 9.758 -2.505 2.566
39 H ALA 6 H ALA 6 8.077 -7.110 7.829
40 HA ALA 6 HA ALA 6 8.931 -7.852 9.805
41 HB1 ALA 6 1HB ALA 6 9.812 -10.028 9.928
42 HB2 ALA 6 2HB ALA 6 8.684 -10.062 8.572
43 HB3 ALA 6 3HB ALA 6 10.420 -9.965 8.273
44 H PHE 7 H PHE 7 10.141 -5.782 9.659
45 HA PHE 7 HA PHE 7 12.839 -5.713 8.805
46 HB2 PHE 7 2HB PHE 7 10.953 -3.870 9.806
47 HB3 PHE 7 3HB PHE 7 12.331 -3.804 10.900
48 HD1 PHE 7 HD1 PHE 7 11.451 -3.676 7.291
49 HD2 PHE 7 HD2 PHE 7 14.197 -2.550 10.342
50 HE1 PHE 7 HE1 PHE 7 12.653 -2.256 5.681
51 HE2 PHE 7 HE2 PHE 7 15.403 -1.128 8.737
52 HZ PHE 7 HZ PHE 7 14.631 -0.978 6.404
53 HA PRO 8 HA PRO 8 13.953 -6.188 13.482
54 HB2 PRO 8 2HB PRO 8 11.948 -6.883 15.176
55 HB3 PRO 8 3HB PRO 8 12.352 -5.203 14.803
56 HG2 PRO 8 2HG PRO 8 10.176 -6.923 13.676
57 HG3 PRO 8 3HG PRO 8 10.109 -5.226 14.189
58 HD2 PRO 8 2HD PRO 8 10.324 -5.955 11.590
59 HD3 PRO 8 3HD PRO 8 11.049 -4.465 12.227
60 HA PRO 9 HA PRO 9 14.382 -10.564 13.498
61 HB2 PRO 9 2HB PRO 9 14.948 -11.103 16.098
62 HB3 PRO 9 3HB PRO 9 16.091 -10.305 15.011
63 HG2 PRO 9 2HG PRO 9 14.271 -9.102 17.060
64 HG3 PRO 9 3HG PRO 9 15.964 -8.716 16.704
65 HD2 PRO 9 2HD PRO 9 13.905 -7.208 15.801
66 HD3 PRO 9 3HD PRO 9 15.415 -7.406 14.889
67 H GLN 10 H GLN 10 12.508 -11.614 13.054
68 HA GLN 10 HA GLN 10 11.148 -13.008 15.055
69 HB2 GLN 10 2HB GLN 10 10.116 -10.980 15.751
70 HB3 GLN 10 3HB GLN 10 9.775 -10.503 14.093
71 HG2 GLN 10 2HG GLN 10 7.956 -11.862 13.922
72 HG3 GLN 10 3HG GLN 10 8.578 -13.027 15.091
73 HE21 GLN 10 1HE2 GLN 10 7.420 -9.686 14.874
74 HE22 GLN 10 2HE2 GLN 10 6.612 -9.683 16.401
75 H GLN 11 H GLN 11 11.499 -14.662 13.567
76 HA GLN 11 HA GLN 11 10.874 -14.696 10.879
77 HB2 GLN 11 2HB GLN 11 11.343 -16.688 12.961
78 HB3 GLN 11 3HB GLN 11 10.255 -17.262 11.704
79 HG2 GLN 11 2HG GLN 11 12.113 -16.267 10.123
80 HG3 GLN 11 3HG GLN 11 13.125 -16.525 11.543
81 HE21 GLN 11 1HE2 GLN 11 12.926 -18.730 12.533
82 HE22 GLN 11 2HE2 GLN 11 12.829 -20.071 11.449
83 HA PRO 12 HA PRO 12 6.511 -14.756 10.441
84 HB2 PRO 12 2HB PRO 12 6.143 -16.570 8.455
85 HB3 PRO 12 3HB PRO 12 6.835 -14.968 8.176
86 HG2 PRO 12 2HG PRO 12 8.223 -17.601 8.488
87 HG3 PRO 12 3HG PRO 12 8.542 -16.299 7.327
88 HD2 PRO 12 2HD PRO 12 10.033 -16.659 9.559
89 HD3 PRO 12 3HD PRO 12 9.733 -15.055 8.859
90 H TYR 13 H TYR 13 4.573 -16.000 10.732
91 HA TYR 13 HA TYR 13 4.938 -18.697 11.822
92 HB2 TYR 13 2HB TYR 13 4.907 -16.992 13.680
93 HB3 TYR 13 3HB TYR 13 3.258 -16.599 13.204
94 HD1 TYR 13 HD1 TYR 13 1.467 -17.813 14.078
95 HD2 TYR 13 HD2 TYR 13 5.392 -19.437 14.324
96 HE1 TYR 13 HE1 TYR 13 0.619 -19.631 15.500
97 HE2 TYR 13 HE2 TYR 13 4.554 -21.261 15.746
98 HH TYR 13 HH TYR 13 2.379 -21.450 17.403
Start of MODEL 24
1 H1 LEU 1 H LEU 1 7.030 -1.201 1.472
2 HA LEU 1 HA LEU 1 4.610 -1.889 1.283
3 HB2 LEU 1 2HB LEU 1 5.027 -0.118 -1.064
4 HB3 LEU 1 3HB LEU 1 3.955 -1.503 -1.258
5 HG LEU 1 HG LEU 1 3.269 -0.066 1.132
6 HD11 LEU 1 1HD1 LEU 1 2.964 1.617 -1.325
7 HD12 LEU 1 2HD1 LEU 1 4.386 1.766 -0.293
8 HD13 LEU 1 3HD1 LEU 1 2.780 2.071 0.369
9 HD21 LEU 1 1HD2 LEU 1 1.798 -0.457 -1.473
10 HD22 LEU 1 2HD2 LEU 1 1.085 -0.010 0.077
11 HD23 LEU 1 3HD2 LEU 1 1.821 -1.600 -0.130
12 H GLY 2 H GLY 2 5.839 -3.808 1.535
13 HA2 GLY 2 2HA GLY 2 6.301 -5.185 -1.019
14 HA3 GLY 2 3HA GLY 2 7.584 -5.176 0.182
15 H GLN 3 H GLN 3 4.134 -5.426 0.853
16 HA GLN 3 HA GLN 3 2.888 -7.040 1.858
17 HB2 GLN 3 2HB GLN 3 4.765 -8.540 0.142
18 HB3 GLN 3 3HB GLN 3 4.017 -9.470 1.433
19 HG2 GLN 3 2HG GLN 3 1.826 -8.952 0.627
20 HG3 GLN 3 3HG GLN 3 2.481 -7.827 -0.563
21 HE21 GLN 3 1HE2 GLN 3 4.153 -8.879 -2.049
22 HE22 GLN 3 2HE2 GLN 3 3.724 -10.424 -2.691
23 H GLN 4 H GLN 4 3.873 -5.951 3.810
24 HA GLN 4 HA GLN 4 4.701 -6.077 5.924
25 HB2 GLN 4 2HB GLN 4 3.221 -8.033 6.048
26 HB3 GLN 4 3HB GLN 4 4.511 -9.053 5.424
27 HG2 GLN 4 2HG GLN 4 5.865 -8.409 7.428
28 HG3 GLN 4 3HG GLN 4 4.421 -7.624 8.066
29 HE21 GLN 4 1HE2 GLN 4 5.818 -10.687 7.096
30 HE22 GLN 4 2HE2 GLN 4 4.753 -11.683 8.021
31 H GLN 5 H GLN 5 6.691 -5.156 5.088
32 HA GLN 5 HA GLN 5 8.890 -6.518 4.147
33 HB2 GLN 5 2HB GLN 5 8.352 -3.923 5.025
34 HB3 GLN 5 3HB GLN 5 9.688 -4.464 6.034
35 HG2 GLN 5 2HG GLN 5 9.590 -4.255 3.042
36 HG3 GLN 5 3HG GLN 5 10.644 -3.397 4.166
37 HE21 GLN 5 1HE2 GLN 5 11.873 -5.063 5.642
38 HE22 GLN 5 2HE2 GLN 5 12.686 -6.312 4.769
39 H ALA 6 H ALA 6 7.854 -6.074 7.493
40 HA ALA 6 HA ALA 6 8.417 -7.152 9.418
41 HB1 ALA 6 1HB ALA 6 8.992 -9.412 9.326
42 HB2 ALA 6 2HB ALA 6 8.091 -9.141 7.834
43 HB3 ALA 6 3HB ALA 6 9.852 -9.228 7.798
44 H PHE 7 H PHE 7 9.847 -5.236 9.660
45 HA PHE 7 HA PHE 7 12.611 -5.383 9.065
46 HB2 PHE 7 2HB PHE 7 10.838 -3.467 10.133
47 HB3 PHE 7 3HB PHE 7 12.096 -3.699 11.343
48 HD1 PHE 7 HD1 PHE 7 14.426 -3.184 10.830
49 HD2 PHE 7 HD2 PHE 7 11.315 -2.456 8.017
50 HE1 PHE 7 HE1 PHE 7 15.935 -1.728 9.543
51 HE2 PHE 7 HE2 PHE 7 12.820 -1.000 6.725
52 HZ PHE 7 HZ PHE 7 15.133 -0.635 7.487
53 HA PRO 8 HA PRO 8 13.179 -6.558 13.716
54 HB2 PRO 8 2HB PRO 8 10.948 -7.213 15.117
55 HB3 PRO 8 3HB PRO 8 11.564 -5.560 15.010
56 HG2 PRO 8 2HG PRO 8 9.346 -6.858 13.475
57 HG3 PRO 8 3HG PRO 8 9.407 -5.242 14.202
58 HD2 PRO 8 2HD PRO 8 9.811 -5.666 11.559
59 HD3 PRO 8 3HD PRO 8 10.620 -4.362 12.451
60 HA PRO 9 HA PRO 9 13.138 -10.922 13.184
61 HB2 PRO 9 2HB PRO 9 13.373 -11.841 15.728
62 HB3 PRO 9 3HB PRO 9 14.700 -11.056 14.864
63 HG2 PRO 9 2HG PRO 9 12.816 -9.907 16.886
64 HG3 PRO 9 3HG PRO 9 14.568 -9.683 16.736
65 HD2 PRO 9 2HD PRO 9 12.785 -7.842 15.865
66 HD3 PRO 9 3HD PRO 9 14.351 -8.105 15.071
67 H GLN 10 H GLN 10 11.730 -12.598 13.017
68 HA GLN 10 HA GLN 10 9.701 -13.262 14.816
69 HB2 GLN 10 2HB GLN 10 8.577 -11.235 14.280
70 HB3 GLN 10 3HB GLN 10 8.855 -11.454 12.557
71 HG2 GLN 10 2HG GLN 10 7.239 -13.133 12.390
72 HG3 GLN 10 3HG GLN 10 7.199 -13.388 14.134
73 HE21 GLN 10 1HE2 GLN 10 5.396 -12.698 15.007
74 HE22 GLN 10 2HE2 GLN 10 4.491 -11.306 14.528
75 H GLN 11 H GLN 11 10.493 -15.309 14.292
76 HA GLN 11 HA GLN 11 10.230 -16.257 11.555
77 HB2 GLN 11 2HB GLN 11 11.688 -17.085 13.946
78 HB3 GLN 11 3HB GLN 11 10.935 -18.435 13.107
79 HG2 GLN 11 2HG GLN 11 12.015 -17.388 10.994
80 HG3 GLN 11 3HG GLN 11 13.052 -16.560 12.155
81 HE21 GLN 11 1HE2 GLN 11 12.195 -19.592 10.725
82 HE22 GLN 11 2HE2 GLN 11 13.514 -20.506 11.366
83 HA PRO 12 HA PRO 12 6.394 -18.337 11.986
84 HB2 PRO 12 2HB PRO 12 6.823 -20.651 10.633
85 HB3 PRO 12 3HB PRO 12 6.663 -19.085 9.831
86 HG2 PRO 12 2HG PRO 12 9.142 -20.610 10.530
87 HG3 PRO 12 3HG PRO 12 8.750 -19.735 9.038
88 HD2 PRO 12 2HD PRO 12 10.346 -18.693 10.962
89 HD3 PRO 12 3HD PRO 12 9.292 -17.687 9.948
90 H TYR 13 H TYR 13 6.180 -18.787 14.170
91 HA TYR 13 HA TYR 13 7.547 -20.980 15.415
92 HB2 TYR 13 2HB TYR 13 6.909 -18.994 16.703
93 HB3 TYR 13 3HB TYR 13 5.209 -19.321 16.385
94 HD1 TYR 13 HD1 TYR 13 4.298 -19.754 18.488
95 HD2 TYR 13 HD2 TYR 13 7.913 -21.691 17.355
96 HE1 TYR 13 HE1 TYR 13 4.183 -21.142 20.516
97 HE2 TYR 13 HE2 TYR 13 7.808 -23.085 19.379
98 HH TYR 13 HH TYR 13 6.747 -23.467 21.298
Start of MODEL 25
1 H1 LEU 1 H LEU 1 4.182 -0.782 -0.787
2 HA LEU 1 HA LEU 1 3.243 -2.829 -0.206
3 HB2 LEU 1 2HB LEU 1 5.240 -3.675 -2.184
4 HB3 LEU 1 3HB LEU 1 4.923 -4.849 -0.908
5 HG LEU 1 HG LEU 1 2.605 -3.665 -2.357
6 HD11 LEU 1 1HD1 LEU 1 4.533 -5.670 -3.488
7 HD12 LEU 1 2HD1 LEU 1 3.903 -4.203 -4.237
8 HD13 LEU 1 3HD1 LEU 1 2.845 -5.593 -3.996
9 HD21 LEU 1 1HD2 LEU 1 1.487 -5.474 -1.578
10 HD22 LEU 1 2HD2 LEU 1 2.761 -5.431 -0.359
11 HD23 LEU 1 3HD2 LEU 1 2.884 -6.541 -1.724
12 H GLY 2 H GLY 2 3.729 -4.429 1.459
13 HA2 GLY 2 2HA GLY 2 6.308 -4.502 2.692
14 HA3 GLY 2 3HA GLY 2 5.202 -3.455 3.569
15 H GLN 3 H GLN 3 3.212 -4.396 4.381
16 HA GLN 3 HA GLN 3 2.058 -5.968 5.550
17 HB2 GLN 3 2HB GLN 3 3.082 -7.426 3.196
18 HB3 GLN 3 3HB GLN 3 2.594 -8.433 4.552
19 HG2 GLN 3 2HG GLN 3 0.382 -7.524 4.515
20 HG3 GLN 3 3HG GLN 3 0.845 -6.329 3.304
21 HE21 GLN 3 1HE2 GLN 3 -1.156 -8.581 3.381
22 HE22 GLN 3 2HE2 GLN 3 -0.852 -9.471 1.933
23 H GLN 4 H GLN 4 3.730 -5.315 7.206
24 HA GLN 4 HA GLN 4 5.154 -5.837 8.904
25 HB2 GLN 4 2HB GLN 4 3.428 -7.462 9.439
26 HB3 GLN 4 3HB GLN 4 4.116 -8.611 8.299
27 HG2 GLN 4 2HG GLN 4 5.381 -9.438 9.906
28 HG3 GLN 4 3HG GLN 4 6.170 -7.872 10.089
29 HE21 GLN 4 1HE2 GLN 4 6.341 -7.635 12.221
30 HE22 GLN 4 2HE2 GLN 4 5.029 -7.714 13.342
31 H GLN 5 H GLN 5 6.926 -5.204 7.473
32 HA GLN 5 HA GLN 5 8.394 -6.853 5.830
33 HB2 GLN 5 2HB GLN 5 8.702 -4.299 6.914
34 HB3 GLN 5 3HB GLN 5 10.143 -5.171 7.418
35 HG2 GLN 5 2HG GLN 5 9.242 -5.259 4.571
36 HG3 GLN 5 3HG GLN 5 10.153 -3.879 5.184
37 HE21 GLN 5 1HE2 GLN 5 11.127 -5.459 3.159
38 HE22 GLN 5 2HE2 GLN 5 12.498 -6.343 3.727
39 H ALA 6 H ALA 6 8.581 -6.533 9.343
40 HA ALA 6 HA ALA 6 9.503 -7.855 10.950
41 HB1 ALA 6 1HB ALA 6 8.490 -9.800 10.446
42 HB2 ALA 6 2HB ALA 6 8.931 -9.711 8.741
43 HB3 ALA 6 3HB ALA 6 10.106 -10.280 9.927
44 H PHE 7 H PHE 7 11.326 -6.302 10.692
45 HA PHE 7 HA PHE 7 13.631 -6.986 9.198
46 HB2 PHE 7 2HB PHE 7 12.791 -4.826 10.803
47 HB3 PHE 7 3HB PHE 7 14.289 -5.413 11.518
48 HD1 PHE 7 HD1 PHE 7 15.993 -6.153 9.418
49 HD2 PHE 7 HD2 PHE 7 13.142 -2.994 9.483
50 HE1 PHE 7 HE1 PHE 7 17.283 -4.958 7.696
51 HE2 PHE 7 HE2 PHE 7 14.427 -1.794 7.761
52 HZ PHE 7 HZ PHE 7 16.500 -2.777 6.865
53 HA PRO 8 HA PRO 8 15.417 -8.612 13.382
54 HB2 PRO 8 2HB PRO 8 13.684 -8.884 15.454
55 HB3 PRO 8 3HB PRO 8 14.587 -7.396 15.147
56 HG2 PRO 8 2HG PRO 8 11.755 -8.071 14.450
57 HG3 PRO 8 3HG PRO 8 12.416 -6.566 15.116
58 HD2 PRO 8 2HD PRO 8 11.820 -6.860 12.491
59 HD3 PRO 8 3HD PRO 8 13.151 -5.831 13.059
60 HA PRO 9 HA PRO 9 14.217 -12.813 12.891
61 HB2 PRO 9 2HB PRO 9 15.061 -13.954 15.205
62 HB3 PRO 9 3HB PRO 9 16.171 -13.405 13.944
63 HG2 PRO 9 2HG PRO 9 15.368 -12.042 16.486
64 HG3 PRO 9 3HG PRO 9 16.977 -12.185 15.752
65 HD2 PRO 9 2HD PRO 9 15.471 -9.945 15.537
66 HD3 PRO 9 3HD PRO 9 16.587 -10.472 14.260
67 H GLN 10 H GLN 10 11.926 -12.498 12.893
68 HA GLN 10 HA GLN 10 10.528 -14.025 14.765
69 HB2 GLN 10 2HB GLN 10 10.821 -12.299 16.376
70 HB3 GLN 10 3HB GLN 10 10.411 -11.046 15.213
71 HG2 GLN 10 2HG GLN 10 8.279 -12.984 15.548
72 HG3 GLN 10 3HG GLN 10 8.718 -12.188 17.059
73 HE21 GLN 10 1HE2 GLN 10 6.521 -12.036 14.809
74 HE22 GLN 10 2HE2 GLN 10 6.267 -10.333 14.672
75 H GLN 11 H GLN 11 9.693 -14.836 12.829
76 HA GLN 11 HA GLN 11 7.864 -13.038 11.384
77 HB2 GLN 11 2HB GLN 11 9.746 -15.081 10.501
78 HB3 GLN 11 3HB GLN 11 8.136 -15.320 9.835
79 HG2 GLN 11 2HG GLN 11 8.673 -13.847 8.275
80 HG3 GLN 11 3HG GLN 11 8.600 -12.609 9.527
81 HE21 GLN 11 1HE2 GLN 11 10.615 -14.461 7.458
82 HE22 GLN 11 2HE2 GLN 11 12.114 -13.713 7.879
83 HA PRO 12 HA PRO 12 4.349 -15.369 12.585
84 HB2 PRO 12 2HB PRO 12 2.865 -15.411 10.312
85 HB3 PRO 12 3HB PRO 12 3.084 -13.955 11.290
86 HG2 PRO 12 2HG PRO 12 4.492 -14.781 8.780
87 HG3 PRO 12 3HG PRO 12 3.864 -13.187 9.238
88 HD2 PRO 12 2HD PRO 12 6.486 -13.833 9.442
89 HD3 PRO 12 3HD PRO 12 5.690 -12.708 10.561
90 H TYR 13 H TYR 13 4.574 -17.476 13.035
91 HA TYR 13 HA TYR 13 5.392 -19.361 10.988
92 HB2 TYR 13 2HB TYR 13 5.727 -19.214 13.754
93 HB3 TYR 13 3HB TYR 13 4.605 -20.549 13.519
94 HD1 TYR 13 HD1 TYR 13 8.026 -19.440 13.236
95 HD2 TYR 13 HD2 TYR 13 5.281 -22.464 12.044
96 HE1 TYR 13 HE1 TYR 13 9.909 -20.908 12.644
97 HE2 TYR 13 HE2 TYR 13 7.156 -23.941 11.450
98 HH TYR 13 HH TYR 13 10.378 -23.275 12.353
Start of MODEL 26
1 H1 LEU 1 H LEU 1 8.310 -10.886 0.348
2 HA LEU 1 HA LEU 1 7.568 -8.380 1.523
3 HB2 LEU 1 2HB LEU 1 8.898 -9.211 -0.781
4 HB3 LEU 1 3HB LEU 1 7.428 -8.432 -1.363
5 HG LEU 1 HG LEU 1 8.146 -6.491 0.213
6 HD11 LEU 1 1HD1 LEU 1 10.661 -6.331 0.279
7 HD12 LEU 1 2HD1 LEU 1 10.697 -8.053 -0.099
8 HD13 LEU 1 3HD1 LEU 1 9.935 -7.492 1.390
9 HD21 LEU 1 1HD2 LEU 1 9.816 -6.936 -2.246
10 HD22 LEU 1 2HD2 LEU 1 9.198 -5.417 -1.598
11 HD23 LEU 1 3HD2 LEU 1 8.091 -6.581 -2.326
12 H GLY 2 H GLY 2 5.556 -7.772 1.943
13 HA2 GLY 2 2HA GLY 2 3.449 -7.254 0.539
14 HA3 GLY 2 3HA GLY 2 3.361 -9.005 0.419
15 H GLN 3 H GLN 3 3.072 -6.251 2.555
16 HA GLN 3 HA GLN 3 1.982 -5.953 4.529
17 HB2 GLN 3 2HB GLN 3 0.582 -8.224 3.264
18 HB3 GLN 3 3HB GLN 3 0.341 -8.063 4.999
19 HG2 GLN 3 2HG GLN 3 -0.517 -5.845 4.739
20 HG3 GLN 3 3HG GLN 3 -0.108 -5.840 3.024
21 HE21 GLN 3 1HE2 GLN 3 -1.027 -8.090 2.035
22 HE22 GLN 3 2HE2 GLN 3 -2.729 -8.261 2.277
23 H GLN 4 H GLN 4 4.244 -6.413 5.329
24 HA GLN 4 HA GLN 4 4.112 -8.027 7.633
25 HB2 GLN 4 2HB GLN 4 4.379 -9.801 5.866
26 HB3 GLN 4 3HB GLN 4 5.957 -9.115 5.503
27 HG2 GLN 4 2HG GLN 4 6.288 -10.982 6.927
28 HG3 GLN 4 3HG GLN 4 6.603 -9.528 7.872
29 HE21 GLN 4 1HE2 GLN 4 3.975 -11.770 7.078
30 HE22 GLN 4 2HE2 GLN 4 3.264 -11.766 8.652
31 H GLN 5 H GLN 5 4.750 -5.822 8.221
32 HA GLN 5 HA GLN 5 7.067 -4.525 7.494
33 HB2 GLN 5 2HB GLN 5 5.111 -4.203 9.459
34 HB3 GLN 5 3HB GLN 5 6.622 -4.304 10.352
35 HG2 GLN 5 2HG GLN 5 6.341 -2.032 9.944
36 HG3 GLN 5 3HG GLN 5 7.503 -2.552 8.725
37 HE21 GLN 5 1HE2 GLN 5 5.142 -0.499 9.079
38 HE22 GLN 5 2HE2 GLN 5 4.383 -0.557 7.529
39 H ALA 6 H ALA 6 6.691 -6.753 10.254
40 HA ALA 6 HA ALA 6 8.178 -8.085 11.347
41 HB1 ALA 6 1HB ALA 6 8.854 -9.367 9.626
42 HB2 ALA 6 2HB ALA 6 9.206 -7.981 8.593
43 HB3 ALA 6 3HB ALA 6 10.368 -8.484 9.819
44 H PHE 7 H PHE 7 8.399 -6.119 12.721
45 HA PHE 7 HA PHE 7 10.605 -4.369 12.429
46 HB2 PHE 7 2HB PHE 7 8.396 -4.617 14.165
47 HB3 PHE 7 3HB PHE 7 9.829 -4.659 15.186
48 HD1 PHE 7 HD1 PHE 7 8.826 -2.766 12.127
49 HD2 PHE 7 HD2 PHE 7 10.296 -2.625 16.119
50 HE1 PHE 7 HE1 PHE 7 9.001 -0.317 11.972
51 HE2 PHE 7 HE2 PHE 7 10.472 -0.175 15.971
52 HZ PHE 7 HZ PHE 7 9.823 0.982 13.896
53 HA PRO 8 HA PRO 8 12.763 -7.117 15.764
54 HB2 PRO 8 2HB PRO 8 11.600 -9.496 16.361
55 HB3 PRO 8 3HB PRO 8 11.216 -7.998 17.217
56 HG2 PRO 8 2HG PRO 8 9.719 -9.354 15.007
57 HG3 PRO 8 3HG PRO 8 9.093 -8.603 16.486
58 HD2 PRO 8 2HD PRO 8 9.033 -7.358 14.082
59 HD3 PRO 8 3HD PRO 8 9.222 -6.475 15.610
60 HA PRO 9 HA PRO 9 14.887 -9.780 12.984
61 HB2 PRO 9 2HB PRO 9 16.149 -11.510 14.654
62 HB3 PRO 9 3HB PRO 9 16.628 -9.817 14.484
63 HG2 PRO 9 2HG PRO 9 14.949 -11.107 16.600
64 HG3 PRO 9 3HG PRO 9 16.236 -9.899 16.775
65 HD2 PRO 9 2HD PRO 9 13.608 -9.249 16.842
66 HD3 PRO 9 3HD PRO 9 14.846 -8.153 16.197
67 H GLN 10 H GLN 10 14.972 -11.889 12.058
68 HA GLN 10 HA GLN 10 13.974 -13.785 11.283
69 HB2 GLN 10 2HB GLN 10 15.009 -14.737 13.254
70 HB3 GLN 10 3HB GLN 10 13.660 -14.218 14.257
71 HG2 GLN 10 2HG GLN 10 12.274 -15.870 13.494
72 HG3 GLN 10 3HG GLN 10 13.120 -16.021 11.955
73 HE21 GLN 10 1HE2 GLN 10 12.638 -18.329 12.879
74 HE22 GLN 10 2HE2 GLN 10 13.970 -19.058 13.704
75 H GLN 11 H GLN 11 12.253 -12.481 10.351
76 HA GLN 11 HA GLN 11 9.861 -11.804 11.543
77 HB2 GLN 11 2HB GLN 11 8.886 -12.128 9.195
78 HB3 GLN 11 3HB GLN 11 10.211 -10.985 9.373
79 HG2 GLN 11 2HG GLN 11 11.615 -12.210 8.118
80 HG3 GLN 11 3HG GLN 11 10.999 -13.743 8.731
81 HE21 GLN 11 1HE2 GLN 11 11.072 -14.510 6.563
82 HE22 GLN 11 2HE2 GLN 11 9.816 -14.107 5.448
83 HA PRO 12 HA PRO 12 7.636 -15.489 12.386
84 HB2 PRO 12 2HB PRO 12 5.089 -14.738 11.818
85 HB3 PRO 12 3HB PRO 12 5.968 -14.158 13.237
86 HG2 PRO 12 2HG PRO 12 5.521 -12.808 10.603
87 HG3 PRO 12 3HG PRO 12 5.425 -12.129 12.238
88 HD2 PRO 12 2HD PRO 12 7.583 -11.781 10.640
89 HD3 PRO 12 3HD PRO 12 7.711 -11.888 12.408
90 H TYR 13 H TYR 13 7.313 -17.344 11.325
91 HA TYR 13 HA TYR 13 6.815 -17.222 8.434
92 HB2 TYR 13 2HB TYR 13 8.852 -18.434 9.458
93 HB3 TYR 13 3HB TYR 13 7.699 -19.676 9.934
94 HD1 TYR 13 HD1 TYR 13 8.062 -17.648 6.814
95 HD2 TYR 13 HD2 TYR 13 7.984 -21.521 8.574
96 HE1 TYR 13 HE1 TYR 13 8.240 -18.660 4.580
97 HE2 TYR 13 HE2 TYR 13 8.163 -22.544 6.344
98 HH TYR 13 HH TYR 13 8.548 -22.159 4.167
Start of MODEL 27
1 H1 LEU 1 H LEU 1 3.294 -9.401 -3.581
2 HA LEU 1 HA LEU 1 2.685 -7.479 -2.231
3 HB2 LEU 1 2HB LEU 1 0.220 -8.438 -2.499
4 HB3 LEU 1 3HB LEU 1 0.568 -9.073 -0.892
5 HG LEU 1 HG LEU 1 1.222 -6.252 -1.118
6 HD11 LEU 1 1HD1 LEU 1 -1.682 -6.976 -1.434
7 HD12 LEU 1 2HD1 LEU 1 -0.663 -6.420 -2.761
8 HD13 LEU 1 3HD1 LEU 1 -0.967 -5.365 -1.382
9 HD21 LEU 1 1HD2 LEU 1 0.542 -8.054 0.840
10 HD22 LEU 1 2HD2 LEU 1 -0.916 -7.074 0.685
11 HD23 LEU 1 3HD2 LEU 1 0.632 -6.304 1.036
12 H GLY 2 H GLY 2 3.252 -7.200 -0.002
13 HA2 GLY 2 2HA GLY 2 3.861 -9.562 1.572
14 HA3 GLY 2 3HA GLY 2 5.261 -8.663 1.006
15 H GLN 3 H GLN 3 5.529 -6.469 1.712
16 HA GLN 3 HA GLN 3 5.593 -4.837 3.295
17 HB2 GLN 3 2HB GLN 3 2.749 -5.621 3.180
18 HB3 GLN 3 3HB GLN 3 3.237 -4.767 4.638
19 HG2 GLN 3 2HG GLN 3 4.005 -2.895 3.363
20 HG3 GLN 3 3HG GLN 3 3.748 -3.763 1.850
21 HE21 GLN 3 1HE2 GLN 3 2.537 -1.666 1.523
22 HE22 GLN 3 2HE2 GLN 3 0.862 -1.668 1.948
23 H GLN 4 H GLN 4 7.110 -6.479 4.280
24 HA GLN 4 HA GLN 4 6.696 -6.584 7.064
25 HB2 GLN 4 2HB GLN 4 5.169 -8.442 6.321
26 HB3 GLN 4 3HB GLN 4 6.591 -9.290 5.728
27 HG2 GLN 4 2HG GLN 4 5.760 -9.989 7.990
28 HG3 GLN 4 3HG GLN 4 7.466 -9.552 7.899
29 HE21 GLN 4 1HE2 GLN 4 8.116 -8.447 9.586
30 HE22 GLN 4 2HE2 GLN 4 7.187 -7.296 10.478
31 H GLN 5 H GLN 5 8.756 -5.480 6.279
32 HA GLN 5 HA GLN 5 10.950 -6.778 5.243
33 HB2 GLN 5 2HB GLN 5 12.279 -5.036 6.115
34 HB3 GLN 5 3HB GLN 5 10.699 -4.315 5.840
35 HG2 GLN 5 2HG GLN 5 10.200 -4.699 8.260
36 HG3 GLN 5 3HG GLN 5 11.884 -5.180 8.463
37 HE21 GLN 5 1HE2 GLN 5 9.775 -2.669 8.703
38 HE22 GLN 5 2HE2 GLN 5 10.887 -1.349 8.619
39 H ALA 6 H ALA 6 9.633 -6.946 8.474
40 HA ALA 6 HA ALA 6 10.085 -8.299 10.248
41 HB1 ALA 6 1HB ALA 6 11.046 -9.825 7.923
42 HB2 ALA 6 2HB ALA 6 11.692 -10.330 9.485
43 HB3 ALA 6 3HB ALA 6 9.949 -10.297 9.220
44 H PHE 7 H PHE 7 11.354 -6.374 10.949
45 HA PHE 7 HA PHE 7 14.169 -6.294 10.655
46 HB2 PHE 7 2HB PHE 7 12.175 -4.662 11.803
47 HB3 PHE 7 3HB PHE 7 13.312 -5.030 13.096
48 HD1 PHE 7 HD1 PHE 7 13.559 -4.220 9.457
49 HD2 PHE 7 HD2 PHE 7 14.891 -3.410 13.418
50 HE1 PHE 7 HE1 PHE 7 15.094 -2.505 8.587
51 HE2 PHE 7 HE2 PHE 7 16.428 -1.694 12.554
52 HZ PHE 7 HZ PHE 7 16.530 -1.239 10.136
53 HA PRO 8 HA PRO 8 14.320 -8.186 15.098
54 HB2 PRO 8 2HB PRO 8 12.000 -9.161 16.116
55 HB3 PRO 8 3HB PRO 8 12.519 -7.486 16.341
56 HG2 PRO 8 2HG PRO 8 10.560 -8.616 14.379
57 HG3 PRO 8 3HG PRO 8 10.442 -7.139 15.354
58 HD2 PRO 8 2HD PRO 8 11.146 -7.107 12.739
59 HD3 PRO 8 3HD PRO 8 11.774 -5.931 13.911
60 HA PRO 9 HA PRO 9 14.614 -12.398 13.873
61 HB2 PRO 9 2HB PRO 9 14.669 -13.707 16.251
62 HB3 PRO 9 3HB PRO 9 16.018 -12.728 15.662
63 HG2 PRO 9 2HG PRO 9 13.883 -12.017 17.636
64 HG3 PRO 9 3HG PRO 9 15.624 -11.687 17.704
65 HD2 PRO 9 2HD PRO 9 13.815 -9.817 16.955
66 HD3 PRO 9 3HD PRO 9 15.462 -9.870 16.294
67 H GLN 10 H GLN 10 13.555 -14.502 13.884
68 HA GLN 10 HA GLN 10 11.718 -15.825 13.670
69 HB2 GLN 10 2HB GLN 10 11.734 -15.926 16.067
70 HB3 GLN 10 3HB GLN 10 10.975 -14.345 16.194
71 HG2 GLN 10 2HG GLN 10 8.898 -15.143 15.698
72 HG3 GLN 10 3HG GLN 10 9.521 -16.483 14.737
73 HE21 GLN 10 1HE2 GLN 10 8.647 -18.218 15.662
74 HE22 GLN 10 2HE2 GLN 10 8.794 -18.638 17.332
75 H GLN 11 H GLN 11 11.128 -14.795 11.698
76 HA GLN 11 HA GLN 11 9.612 -12.513 11.380
77 HB2 GLN 11 2HB GLN 11 10.151 -14.923 9.790
78 HB3 GLN 11 3HB GLN 11 8.637 -14.123 9.391
79 HG2 GLN 11 2HG GLN 11 9.670 -12.242 8.609
80 HG3 GLN 11 3HG GLN 11 11.093 -12.468 9.626
81 HE21 GLN 11 1HE2 GLN 11 10.137 -12.420 6.551
82 HE22 GLN 11 2HE2 GLN 11 11.264 -13.523 5.847
83 HA PRO 12 HA PRO 12 5.539 -13.302 12.799
84 HB2 PRO 12 2HB PRO 12 4.011 -12.115 10.895
85 HB3 PRO 12 3HB PRO 12 4.974 -11.201 12.062
86 HG2 PRO 12 2HG PRO 12 5.599 -11.889 9.216
87 HG3 PRO 12 3HG PRO 12 5.836 -10.356 10.074
88 HD2 PRO 12 2HD PRO 12 7.854 -12.107 9.636
89 HD3 PRO 12 3HD PRO 12 7.783 -11.073 11.078
90 H TYR 13 H TYR 13 5.542 -15.600 12.563
91 HA TYR 13 HA TYR 13 4.407 -16.654 10.077
92 HB2 TYR 13 2HB TYR 13 6.427 -17.754 10.960
93 HB3 TYR 13 3HB TYR 13 5.572 -18.120 12.454
94 HD1 TYR 13 HD1 TYR 13 6.157 -19.103 9.022
95 HD2 TYR 13 HD2 TYR 13 3.675 -19.738 12.418
96 HE1 TYR 13 HE1 TYR 13 5.364 -21.215 8.040
97 HE2 TYR 13 HE2 TYR 13 2.876 -21.852 11.447
98 HH TYR 13 HH TYR 13 2.707 -22.747 8.877
Start of MODEL 28
1 H1 LEU 1 H LEU 1 5.504 -0.485 8.233
2 HA LEU 1 HA LEU 1 4.302 -2.170 6.731
3 HB2 LEU 1 2HB LEU 1 6.138 -0.017 5.941
4 HB3 LEU 1 3HB LEU 1 5.754 -1.170 4.665
5 HG LEU 1 HG LEU 1 3.276 -0.660 5.456
6 HD11 LEU 1 1HD1 LEU 1 2.942 1.571 6.195
7 HD12 LEU 1 2HD1 LEU 1 4.655 1.953 6.027
8 HD13 LEU 1 3HD1 LEU 1 4.120 0.838 7.284
9 HD21 LEU 1 1HD2 LEU 1 4.484 1.501 3.820
10 HD22 LEU 1 2HD2 LEU 1 3.056 0.510 3.516
11 HD23 LEU 1 3HD2 LEU 1 4.667 -0.160 3.253
12 H GLY 2 H GLY 2 4.537 -3.943 5.425
13 HA2 GLY 2 2HA GLY 2 7.265 -5.042 5.167
14 HA3 GLY 2 3HA GLY 2 5.924 -6.047 5.697
15 H GLN 3 H GLN 3 4.053 -6.175 4.158
16 HA GLN 3 HA GLN 3 3.218 -6.763 2.126
17 HB2 GLN 3 2HB GLN 3 4.952 -4.443 1.551
18 HB3 GLN 3 3HB GLN 3 4.564 -5.455 0.166
19 HG2 GLN 3 2HG GLN 3 2.219 -5.131 0.503
20 HG3 GLN 3 3HG GLN 3 2.508 -4.288 2.024
21 HE21 GLN 3 1HE2 GLN 3 1.999 -3.946 -1.258
22 HE22 GLN 3 2HE2 GLN 3 2.454 -2.288 -1.426
23 H GLN 4 H GLN 4 4.374 -8.823 2.751
24 HA GLN 4 HA GLN 4 5.576 -10.664 2.171
25 HB2 GLN 4 2HB GLN 4 4.399 -10.472 0.067
26 HB3 GLN 4 3HB GLN 4 5.546 -9.271 -0.510
27 HG2 GLN 4 2HG GLN 4 6.768 -10.881 -1.393
28 HG3 GLN 4 3HG GLN 4 7.036 -11.549 0.216
29 HE21 GLN 4 1HE2 GLN 4 5.176 -11.758 -2.706
30 HE22 GLN 4 2HE2 GLN 4 4.462 -13.298 -2.384
31 H GLN 5 H GLN 5 7.276 -9.917 3.598
32 HA GLN 5 HA GLN 5 9.820 -10.071 2.472
33 HB2 GLN 5 2HB GLN 5 8.748 -7.514 2.151
34 HB3 GLN 5 3HB GLN 5 9.835 -7.369 3.526
35 HG2 GLN 5 2HG GLN 5 10.729 -8.689 0.996
36 HG3 GLN 5 3HG GLN 5 10.748 -6.934 1.165
37 HE21 GLN 5 1HE2 GLN 5 13.096 -7.656 0.718
38 HE22 GLN 5 2HE2 GLN 5 14.083 -7.861 2.121
39 H ALA 6 H ALA 6 8.053 -8.479 5.115
40 HA ALA 6 HA ALA 6 8.254 -8.619 7.378
41 HB1 ALA 6 1HB ALA 6 8.240 -11.098 6.755
42 HB2 ALA 6 2HB ALA 6 9.982 -11.046 7.027
43 HB3 ALA 6 3HB ALA 6 8.873 -10.658 8.342
44 H PHE 7 H PHE 7 9.594 -6.655 7.032
45 HA PHE 7 HA PHE 7 12.422 -6.789 7.024
46 HB2 PHE 7 2HB PHE 7 10.461 -4.768 6.878
47 HB3 PHE 7 3HB PHE 7 11.469 -4.373 8.266
48 HD1 PHE 7 HD1 PHE 7 13.881 -3.983 7.975
49 HD2 PHE 7 HD2 PHE 7 11.289 -4.602 4.656
50 HE1 PHE 7 HE1 PHE 7 15.592 -3.056 6.470
51 HE2 PHE 7 HE2 PHE 7 12.996 -3.676 3.145
52 HZ PHE 7 HZ PHE 7 15.151 -2.902 4.052
53 HA PRO 8 HA PRO 8 12.114 -5.902 11.763
54 HB2 PRO 8 2HB PRO 8 9.665 -6.119 12.915
55 HB3 PRO 8 3HB PRO 8 10.274 -4.608 12.230
56 HG2 PRO 8 2HG PRO 8 8.399 -6.610 11.032
57 HG3 PRO 8 3HG PRO 8 8.305 -4.839 11.015
58 HD2 PRO 8 2HD PRO 8 9.205 -6.271 8.900
59 HD3 PRO 8 3HD PRO 8 9.818 -4.651 9.286
60 HA PRO 9 HA PRO 9 12.217 -10.087 13.108
61 HB2 PRO 9 2HB PRO 9 11.977 -9.858 15.803
62 HB3 PRO 9 3HB PRO 9 13.436 -9.383 14.925
63 HG2 PRO 9 2HG PRO 9 11.192 -7.678 15.934
64 HG3 PRO 9 3HG PRO 9 12.940 -7.382 16.000
65 HD2 PRO 9 2HD PRO 9 11.334 -6.223 14.152
66 HD3 PRO 9 3HD PRO 9 13.025 -6.649 13.816
67 H GLN 10 H GLN 10 10.922 -11.828 13.586
68 HA GLN 10 HA GLN 10 8.549 -11.788 15.056
69 HB2 GLN 10 2HB GLN 10 7.556 -10.401 13.398
70 HB3 GLN 10 3HB GLN 10 8.213 -11.375 12.089
71 HG2 GLN 10 2HG GLN 10 6.611 -12.978 12.287
72 HG3 GLN 10 3HG GLN 10 6.382 -12.695 14.011
73 HE21 GLN 10 1HE2 GLN 10 4.128 -12.689 13.671
74 HE22 GLN 10 2HE2 GLN 10 3.329 -11.311 13.003
75 H GLN 11 H GLN 11 9.436 -13.735 15.762
76 HA GLN 11 HA GLN 11 9.027 -15.979 13.913
77 HB2 GLN 11 2HB GLN 11 11.511 -15.216 15.320
78 HB3 GLN 11 3HB GLN 11 11.086 -16.920 15.403
79 HG2 GLN 11 2HG GLN 11 10.736 -16.138 12.726
80 HG3 GLN 11 3HG GLN 11 12.271 -15.454 13.260
81 HE21 GLN 11 1HE2 GLN 11 11.788 -17.573 11.345
82 HE22 GLN 11 2HE2 GLN 11 12.618 -18.967 11.937
83 HA PRO 12 HA PRO 12 6.832 -16.583 17.960
84 HB2 PRO 12 2HB PRO 12 4.495 -17.388 16.837
85 HB3 PRO 12 3HB PRO 12 4.889 -15.689 17.122
86 HG2 PRO 12 2HG PRO 12 5.090 -17.282 14.596
87 HG3 PRO 12 3HG PRO 12 4.483 -15.633 14.833
88 HD2 PRO 12 2HD PRO 12 6.967 -16.149 13.886
89 HD3 PRO 12 3HD PRO 12 6.601 -14.725 14.883
90 H TYR 13 H TYR 13 6.556 -18.515 18.997
91 HA TYR 13 HA TYR 13 7.023 -20.943 17.393
92 HB2 TYR 13 2HB TYR 13 8.655 -20.023 19.329
93 HB3 TYR 13 3HB TYR 13 7.568 -21.002 20.307
94 HD1 TYR 13 HD1 TYR 13 7.702 -23.370 20.288
95 HD2 TYR 13 HD2 TYR 13 9.937 -21.100 17.468
96 HE1 TYR 13 HE1 TYR 13 8.949 -25.393 19.657
97 HE2 TYR 13 HE2 TYR 13 11.190 -23.117 16.829
98 HH TYR 13 HH TYR 13 11.787 -25.340 17.933
Start of MODEL 29
1 H1 LEU 1 H LEU 1 4.252 -13.173 3.895
2 HA LEU 1 HA LEU 1 6.453 -12.194 2.200
3 HB2 LEU 1 2HB LEU 1 3.851 -12.222 1.446
4 HB3 LEU 1 3HB LEU 1 3.957 -10.637 2.208
5 HG LEU 1 HG LEU 1 6.124 -10.548 0.596
6 HD11 LEU 1 1HD1 LEU 1 5.726 -11.559 -1.488
7 HD12 LEU 1 2HD1 LEU 1 4.074 -11.996 -1.054
8 HD13 LEU 1 3HD1 LEU 1 5.433 -12.823 -0.294
9 HD21 LEU 1 1HD2 LEU 1 3.264 -9.773 0.133
10 HD22 LEU 1 2HD2 LEU 1 4.525 -9.381 -1.036
11 HD23 LEU 1 3HD2 LEU 1 4.625 -8.759 0.612
12 H GLY 2 H GLY 2 7.357 -10.204 2.733
13 HA2 GLY 2 2HA GLY 2 7.107 -9.478 5.515
14 HA3 GLY 2 3HA GLY 2 8.227 -8.787 4.350
15 H GLN 3 H GLN 3 7.699 -6.923 3.284
16 HA GLN 3 HA GLN 3 6.659 -4.939 2.891
17 HB2 GLN 3 2HB GLN 3 4.457 -6.904 2.984
18 HB3 GLN 3 3HB GLN 3 3.980 -5.227 3.212
19 HG2 GLN 3 2HG GLN 3 4.927 -4.603 1.106
20 HG3 GLN 3 3HG GLN 3 5.629 -6.207 0.896
21 HE21 GLN 3 1HE2 GLN 3 4.259 -5.532 -1.157
22 HE22 GLN 3 2HE2 GLN 3 2.680 -6.231 -1.198
23 H GLN 4 H GLN 4 7.747 -4.462 5.025
24 HA GLN 4 HA GLN 4 7.753 -3.463 7.070
25 HB2 GLN 4 2HB GLN 4 6.423 -1.797 5.839
26 HB3 GLN 4 3HB GLN 4 4.952 -2.667 6.256
27 HG2 GLN 4 2HG GLN 4 5.908 -2.293 8.711
28 HG3 GLN 4 3HG GLN 4 6.655 -0.910 7.913
29 HE21 GLN 4 1HE2 GLN 4 5.181 0.482 6.651
30 HE22 GLN 4 2HE2 GLN 4 3.590 0.748 7.267
31 H GLN 5 H GLN 5 7.788 -5.667 7.968
32 HA GLN 5 HA GLN 5 6.083 -5.942 10.153
33 HB2 GLN 5 2HB GLN 5 4.844 -6.806 7.794
34 HB3 GLN 5 3HB GLN 5 5.351 -8.278 8.613
35 HG2 GLN 5 2HG GLN 5 3.866 -8.026 10.280
36 HG3 GLN 5 3HG GLN 5 4.037 -6.271 10.313
37 HE21 GLN 5 1HE2 GLN 5 2.063 -5.480 10.090
38 HE22 GLN 5 2HE2 GLN 5 0.931 -5.923 8.862
39 H ALA 6 H ALA 6 8.005 -6.380 11.195
40 HA ALA 6 HA ALA 6 9.645 -7.679 12.092
41 HB1 ALA 6 1HB ALA 6 8.488 -10.047 10.656
42 HB2 ALA 6 2HB ALA 6 9.329 -9.995 12.206
43 HB3 ALA 6 3HB ALA 6 7.699 -9.337 12.065
44 H PHE 7 H PHE 7 10.998 -6.425 10.553
45 HA PHE 7 HA PHE 7 11.820 -7.531 8.080
46 HB2 PHE 7 2HB PHE 7 12.296 -5.158 9.529
47 HB3 PHE 7 3HB PHE 7 13.874 -5.888 9.253
48 HD1 PHE 7 HD1 PHE 7 14.949 -4.928 7.478
49 HD2 PHE 7 HD2 PHE 7 10.751 -5.585 7.228
50 HE1 PHE 7 HE1 PHE 7 14.952 -4.052 5.178
51 HE2 PHE 7 HE2 PHE 7 10.747 -4.711 4.928
52 HZ PHE 7 HZ PHE 7 12.850 -3.944 3.900
53 HA PRO 8 HA PRO 8 15.727 -9.058 10.476
54 HB2 PRO 8 2HB PRO 8 15.655 -8.932 13.187
55 HB3 PRO 8 3HB PRO 8 16.255 -7.609 12.179
56 HG2 PRO 8 2HG PRO 8 13.574 -7.942 13.469
57 HG3 PRO 8 3HG PRO 8 14.593 -6.494 13.364
58 HD2 PRO 8 2HD PRO 8 12.473 -6.906 11.730
59 HD3 PRO 8 3HD PRO 8 13.925 -6.027 11.208
60 HA PRO 9 HA PRO 9 14.237 -13.082 11.438
61 HB2 PRO 9 2HB PRO 9 16.273 -14.146 12.886
62 HB3 PRO 9 3HB PRO 9 16.382 -13.852 11.146
63 HG2 PRO 9 2HG PRO 9 17.424 -12.202 13.416
64 HG3 PRO 9 3HG PRO 9 18.211 -12.619 11.882
65 HD2 PRO 9 2HD PRO 9 17.036 -10.217 12.311
66 HD3 PRO 9 3HD PRO 9 17.077 -10.988 10.712
67 H GLN 10 H GLN 10 12.535 -13.247 12.775
68 HA GLN 10 HA GLN 10 12.813 -13.947 15.464
69 HB2 GLN 10 2HB GLN 10 13.388 -11.696 15.978
70 HB3 GLN 10 3HB GLN 10 12.095 -11.061 14.969
71 HG2 GLN 10 2HG GLN 10 11.098 -12.809 17.054
72 HG3 GLN 10 3HG GLN 10 12.016 -11.449 17.698
73 HE21 GLN 10 1HE2 GLN 10 9.094 -12.163 17.642
74 HE22 GLN 10 2HE2 GLN 10 8.317 -10.746 17.033
75 H GLN 11 H GLN 11 11.373 -15.531 14.739
76 HA GLN 11 HA GLN 11 9.339 -16.509 14.456
77 HB2 GLN 11 2HB GLN 11 8.844 -15.101 16.494
78 HB3 GLN 11 3HB GLN 11 8.160 -13.898 15.408
79 HG2 GLN 11 2HG GLN 11 6.795 -16.043 14.586
80 HG3 GLN 11 3HG GLN 11 7.094 -16.514 16.258
81 HE21 GLN 11 1HE2 GLN 11 6.298 -13.479 14.593
82 HE22 GLN 11 2HE2 GLN 11 4.967 -13.070 15.615
83 HA PRO 12 HA PRO 12 8.890 -14.169 10.444
84 HB2 PRO 12 2HB PRO 12 9.552 -16.268 8.855
85 HB3 PRO 12 3HB PRO 12 10.751 -15.158 9.529
86 HG2 PRO 12 2HG PRO 12 9.938 -17.876 10.484
87 HG3 PRO 12 3HG PRO 12 11.562 -17.177 10.348
88 HD2 PRO 12 2HD PRO 12 10.229 -17.318 12.701
89 HD3 PRO 12 3HD PRO 12 11.358 -16.002 12.321
90 H TYR 13 H TYR 13 6.977 -14.107 9.425
91 HA TYR 13 HA TYR 13 5.159 -16.393 9.775
92 HB2 TYR 13 2HB TYR 13 4.564 -14.074 10.700
93 HB3 TYR 13 3HB TYR 13 4.327 -13.596 9.023
94 HD1 TYR 13 HD1 TYR 13 3.137 -15.900 11.666
95 HD2 TYR 13 HD2 TYR 13 2.348 -14.173 7.858
96 HE1 TYR 13 HE1 TYR 13 0.845 -16.789 11.744
97 HE2 TYR 13 HE2 TYR 13 0.054 -15.057 7.926
98 HH TYR 13 HH TYR 13 -1.064 -17.059 10.635
Start of MODEL 30
1 H1 LEU 1 H LEU 1 6.526 -8.307 8.148
2 HA LEU 1 HA LEU 1 5.662 -8.097 6.002
3 HB2 LEU 1 2HB LEU 1 3.413 -8.698 7.106
4 HB3 LEU 1 3HB LEU 1 3.129 -6.959 7.132
5 HG LEU 1 HG LEU 1 3.904 -8.066 4.516
6 HD11 LEU 1 1HD1 LEU 1 2.540 -9.893 5.061
7 HD12 LEU 1 2HD1 LEU 1 1.491 -8.799 4.159
8 HD13 LEU 1 3HD1 LEU 1 1.377 -8.880 5.917
9 HD21 LEU 1 1HD2 LEU 1 2.722 -5.754 5.542
10 HD22 LEU 1 2HD2 LEU 1 1.438 -6.585 4.663
11 HD23 LEU 1 3HD2 LEU 1 2.947 -6.177 3.844
12 H GLY 2 H GLY 2 5.928 -6.391 4.619
13 HA2 GLY 2 2HA GLY 2 5.328 -3.697 5.259
14 HA3 GLY 2 3HA GLY 2 7.028 -4.018 5.568
15 H GLN 3 H GLN 3 4.989 -5.358 3.005
16 HA GLN 3 HA GLN 3 5.152 -5.289 0.738
17 HB2 GLN 3 2HB GLN 3 5.928 -2.574 1.601
18 HB3 GLN 3 3HB GLN 3 6.434 -3.022 -0.023
19 HG2 GLN 3 2HG GLN 3 4.175 -3.459 -0.676
20 HG3 GLN 3 3HG GLN 3 3.607 -3.239 0.979
21 HE21 GLN 3 1HE2 GLN 3 2.496 -1.837 -1.094
22 HE22 GLN 3 2HE2 GLN 3 2.915 -0.166 -0.955
23 H GLN 4 H GLN 4 6.750 -7.064 1.250
24 HA GLN 4 HA GLN 4 8.701 -8.155 0.826
25 HB2 GLN 4 2HB GLN 4 8.252 -7.502 -1.463
26 HB3 GLN 4 3HB GLN 4 8.968 -5.919 -1.189
27 HG2 GLN 4 2HG GLN 4 10.369 -7.627 -2.430
28 HG3 GLN 4 3HG GLN 4 11.133 -6.788 -1.082
29 HE21 GLN 4 1HE2 GLN 4 9.691 -9.796 -2.134
30 HE22 GLN 4 2HE2 GLN 4 10.423 -10.793 -0.928
31 H GLN 5 H GLN 5 9.418 -7.549 2.981
32 HA GLN 5 HA GLN 5 12.038 -6.601 3.040
33 HB2 GLN 5 2HB GLN 5 10.223 -4.487 2.889
34 HB3 GLN 5 3HB GLN 5 10.669 -4.567 4.589
35 HG2 GLN 5 2HG GLN 5 12.981 -4.807 2.874
36 HG3 GLN 5 3HG GLN 5 12.076 -3.330 2.548
37 HE21 GLN 5 1HE2 GLN 5 13.768 -5.167 4.998
38 HE22 GLN 5 2HE2 GLN 5 14.053 -3.842 6.069
39 H ALA 6 H ALA 6 9.041 -6.665 4.943
40 HA ALA 6 HA ALA 6 8.548 -7.569 6.974
41 HB1 ALA 6 1HB ALA 6 9.716 -9.511 7.695
42 HB2 ALA 6 2HB ALA 6 9.663 -9.561 5.932
43 HB3 ALA 6 3HB ALA 6 11.145 -9.076 6.756
44 H PHE 7 H PHE 7 8.984 -5.319 7.692
45 HA PHE 7 HA PHE 7 11.451 -4.609 8.886
46 HB2 PHE 7 2HB PHE 7 8.986 -3.345 8.357
47 HB3 PHE 7 3HB PHE 7 9.238 -3.217 10.095
48 HD1 PHE 7 HD1 PHE 7 9.814 -1.664 7.047
49 HD2 PHE 7 HD2 PHE 7 11.739 -2.532 10.743
50 HE1 PHE 7 HE1 PHE 7 11.364 0.212 6.677
51 HE2 PHE 7 HE2 PHE 7 13.290 -0.658 10.379
52 HZ PHE 7 HZ PHE 7 13.104 0.718 8.345
53 HA PRO 8 HA PRO 8 9.310 -5.674 13.084
54 HB2 PRO 8 2HB PRO 8 6.947 -7.007 12.975
55 HB3 PRO 8 3HB PRO 8 7.056 -5.243 12.980
56 HG2 PRO 8 2HG PRO 8 6.672 -7.111 10.672
57 HG3 PRO 8 3HG PRO 8 5.862 -5.571 11.011
58 HD2 PRO 8 2HD PRO 8 7.897 -5.787 9.239
59 HD3 PRO 8 3HD PRO 8 7.623 -4.322 10.204
60 HA PRO 9 HA PRO 9 10.710 -9.833 13.370
61 HB2 PRO 9 2HB PRO 9 9.551 -10.701 15.666
62 HB3 PRO 9 3HB PRO 9 10.876 -9.531 15.641
63 HG2 PRO 9 2HG PRO 9 7.934 -9.056 15.926
64 HG3 PRO 9 3HG PRO 9 9.278 -8.310 16.809
65 HD2 PRO 9 2HD PRO 9 8.018 -7.071 14.757
66 HD3 PRO 9 3HD PRO 9 9.742 -6.829 15.105
67 H GLN 10 H GLN 10 10.123 -12.055 13.197
68 HA GLN 10 HA GLN 10 7.522 -13.065 13.271
69 HB2 GLN 10 2HB GLN 10 6.947 -11.692 11.415
70 HB3 GLN 10 3HB GLN 10 8.433 -12.098 10.565
71 HG2 GLN 10 2HG GLN 10 7.547 -13.928 9.664
72 HG3 GLN 10 3HG GLN 10 6.809 -14.429 11.185
73 HE21 GLN 10 1HE2 GLN 10 4.834 -14.977 10.421
74 HE22 GLN 10 2HE2 GLN 10 3.727 -13.857 9.710
75 H GLN 11 H GLN 11 8.664 -14.759 14.229
76 HA GLN 11 HA GLN 11 10.192 -16.430 12.343
77 HB2 GLN 11 2HB GLN 11 10.873 -15.477 15.013
78 HB3 GLN 11 3HB GLN 11 10.988 -17.226 14.876
79 HG2 GLN 11 2HG GLN 11 12.964 -16.997 13.923
80 HG3 GLN 11 3HG GLN 11 12.199 -16.159 12.574
81 HE21 GLN 11 1HE2 GLN 11 14.499 -15.927 14.923
82 HE22 GLN 11 2HE2 GLN 11 14.679 -14.210 14.977
83 HA PRO 12 HA PRO 12 7.464 -19.769 13.140
84 HB2 PRO 12 2HB PRO 12 9.145 -21.900 13.208
85 HB3 PRO 12 3HB PRO 12 8.749 -21.036 11.718
86 HG2 PRO 12 2HG PRO 12 11.165 -20.785 13.466
87 HG3 PRO 12 3HG PRO 12 11.065 -20.839 11.696
88 HD2 PRO 12 2HD PRO 12 11.368 -18.525 13.070
89 HD3 PRO 12 3HD PRO 12 10.476 -18.616 11.538
90 H TYR 13 H TYR 13 6.996 -21.610 14.624
91 HA TYR 13 HA TYR 13 7.908 -20.949 17.336
92 HB2 TYR 13 2HB TYR 13 5.406 -20.966 16.597
93 HB3 TYR 13 3HB TYR 13 5.554 -22.714 16.742
94 HD1 TYR 13 HD1 TYR 13 5.180 -23.719 18.800
95 HD2 TYR 13 HD2 TYR 13 6.161 -19.581 18.675
96 HE1 TYR 13 HE1 TYR 13 4.776 -23.556 21.221
97 HE2 TYR 13 HE2 TYR 13 5.761 -19.407 21.096
98 HH TYR 13 HH TYR 13 5.696 -20.824 23.058
Start of MODEL 31
1 H1 LEU 1 H LEU 1 4.616 -6.317 -2.926
2 HA LEU 1 HA LEU 1 4.109 -4.553 -1.354
3 HB2 LEU 1 2HB LEU 1 1.639 -5.882 -1.428
4 HB3 LEU 1 3HB LEU 1 2.196 -5.987 0.241
5 HG LEU 1 HG LEU 1 2.252 -3.331 -1.104
6 HD11 LEU 1 1HD1 LEU 1 0.037 -4.373 -1.634
7 HD12 LEU 1 2HD1 LEU 1 -0.046 -2.900 -0.667
8 HD13 LEU 1 3HD1 LEU 1 -0.259 -4.473 0.102
9 HD21 LEU 1 1HD2 LEU 1 2.905 -4.180 1.378
10 HD22 LEU 1 2HD2 LEU 1 1.222 -3.713 1.625
11 HD23 LEU 1 3HD2 LEU 1 2.381 -2.540 0.998
12 H GLY 2 H GLY 2 5.384 -4.458 0.407
13 HA2 GLY 2 2HA GLY 2 6.930 -6.653 1.192
14 HA3 GLY 2 3HA GLY 2 6.791 -5.145 2.084
15 H GLN 3 H GLN 3 4.426 -5.002 3.128
16 HA GLN 3 HA GLN 3 3.070 -5.741 4.797
17 HB2 GLN 3 2HB GLN 3 3.389 -8.087 3.034
18 HB3 GLN 3 3HB GLN 3 2.838 -8.441 4.666
19 HG2 GLN 3 2HG GLN 3 0.940 -7.009 4.405
20 HG3 GLN 3 3HG GLN 3 1.532 -6.433 2.848
21 HE21 GLN 3 1HE2 GLN 3 -0.539 -7.095 2.031
22 HE22 GLN 3 2HE2 GLN 3 -0.812 -8.751 1.619
23 H GLN 4 H GLN 4 5.051 -5.097 6.075
24 HA GLN 4 HA GLN 4 6.434 -5.429 7.849
25 HB2 GLN 4 2HB GLN 4 4.427 -6.466 8.822
26 HB3 GLN 4 3HB GLN 4 4.886 -8.012 8.121
27 HG2 GLN 4 2HG GLN 4 5.467 -7.989 10.446
28 HG3 GLN 4 3HG GLN 4 6.941 -7.985 9.479
29 HE21 GLN 4 1HE2 GLN 4 7.706 -7.264 11.681
30 HE22 GLN 4 2HE2 GLN 4 7.742 -5.561 11.968
31 H GLN 5 H GLN 5 8.219 -5.592 6.365
32 HA GLN 5 HA GLN 5 9.174 -7.865 5.138
33 HB2 GLN 5 2HB GLN 5 11.475 -6.792 5.489
34 HB3 GLN 5 3HB GLN 5 10.270 -5.857 4.613
35 HG2 GLN 5 2HG GLN 5 10.265 -5.398 7.499
36 HG3 GLN 5 3HG GLN 5 11.768 -4.947 6.695
37 HE21 GLN 5 1HE2 GLN 5 11.526 -3.574 4.747
38 HE22 GLN 5 2HE2 GLN 5 10.298 -2.359 4.765
39 H ALA 6 H ALA 6 9.411 -6.922 8.503
40 HA ALA 6 HA ALA 6 10.041 -8.063 10.369
41 HB1 ALA 6 1HB ALA 6 9.844 -10.435 10.404
42 HB2 ALA 6 2HB ALA 6 8.586 -9.820 9.331
43 HB3 ALA 6 3HB ALA 6 10.048 -10.538 8.655
44 H PHE 7 H PHE 7 12.073 -6.831 10.011
45 HA PHE 7 HA PHE 7 14.333 -8.042 8.811
46 HB2 PHE 7 2HB PHE 7 13.721 -5.558 9.998
47 HB3 PHE 7 3HB PHE 7 15.085 -6.209 10.900
48 HD1 PHE 7 HD1 PHE 7 13.971 -4.762 7.785
49 HD2 PHE 7 HD2 PHE 7 17.191 -6.763 9.720
50 HE1 PHE 7 HE1 PHE 7 15.494 -4.036 5.993
51 HE2 PHE 7 HE2 PHE 7 18.719 -6.040 7.932
52 HZ PHE 7 HZ PHE 7 17.871 -4.674 6.066
53 HA PRO 8 HA PRO 8 15.662 -9.179 13.315
54 HB2 PRO 8 2HB PRO 8 13.805 -8.883 15.274
55 HB3 PRO 8 3HB PRO 8 14.921 -7.595 14.805
56 HG2 PRO 8 2HG PRO 8 12.062 -8.002 14.019
57 HG3 PRO 8 3HG PRO 8 12.891 -6.506 14.489
58 HD2 PRO 8 2HD PRO 8 12.393 -7.147 11.905
59 HD3 PRO 8 3HD PRO 8 13.824 -6.219 12.401
60 HA PRO 9 HA PRO 9 13.915 -13.213 13.396
61 HB2 PRO 9 2HB PRO 9 14.475 -14.060 15.914
62 HB3 PRO 9 3HB PRO 9 15.712 -13.873 14.666
63 HG2 PRO 9 2HG PRO 9 14.980 -12.021 16.901
64 HG3 PRO 9 3HG PRO 9 16.588 -12.488 16.317
65 HD2 PRO 9 2HD PRO 9 15.421 -10.138 15.648
66 HD3 PRO 9 3HD PRO 9 16.516 -11.006 14.553
67 H GLN 10 H GLN 10 11.694 -12.545 13.189
68 HA GLN 10 HA GLN 10 9.992 -13.586 15.141
69 HB2 GLN 10 2HB GLN 10 10.467 -11.718 16.536
70 HB3 GLN 10 3HB GLN 10 10.308 -10.589 15.197
71 HG2 GLN 10 2HG GLN 10 7.885 -12.108 15.584
72 HG3 GLN 10 3HG GLN 10 8.367 -11.269 17.057
73 HE21 GLN 10 1HE2 GLN 10 6.114 -10.815 15.219
74 HE22 GLN 10 2HE2 GLN 10 6.245 -9.165 14.723
75 H GLN 11 H GLN 11 9.142 -14.523 13.268
76 HA GLN 11 HA GLN 11 7.653 -12.691 11.507
77 HB2 GLN 11 2HB GLN 11 9.262 -15.082 10.983
78 HB3 GLN 11 3HB GLN 11 7.689 -15.109 10.198
79 HG2 GLN 11 2HG GLN 11 8.629 -13.931 8.573
80 HG3 GLN 11 3HG GLN 11 8.602 -12.565 9.687
81 HE21 GLN 11 1HE2 GLN 11 10.538 -14.869 8.045
82 HE22 GLN 11 2HE2 GLN 11 12.076 -14.288 8.576
83 HA PRO 12 HA PRO 12 3.812 -14.423 12.723
84 HB2 PRO 12 2HB PRO 12 2.451 -14.544 10.377
85 HB3 PRO 12 3HB PRO 12 2.805 -13.022 11.205
86 HG2 PRO 12 2HG PRO 12 4.220 -14.296 8.895
87 HG3 PRO 12 3HG PRO 12 3.780 -12.596 9.137
88 HD2 PRO 12 2HD PRO 12 6.283 -13.530 9.578
89 HD3 PRO 12 3HD PRO 12 5.583 -12.195 10.516
90 H TYR 13 H TYR 13 4.055 -16.494 13.433
91 HA TYR 13 HA TYR 13 4.243 -18.640 11.440
92 HB2 TYR 13 2HB TYR 13 5.691 -18.285 13.708
93 HB3 TYR 13 3HB TYR 13 4.402 -19.321 14.311
94 HD1 TYR 13 HD1 TYR 13 7.605 -19.372 13.047
95 HD2 TYR 13 HD2 TYR 13 3.866 -21.344 12.555
96 HE1 TYR 13 HE1 TYR 13 8.768 -21.337 12.134
97 HE2 TYR 13 HE2 TYR 13 5.019 -23.315 11.642
98 HH TYR 13 HH TYR 13 8.430 -23.688 11.802
Start of MODEL 32
1 H1 LEU 1 H LEU 1 -1.821 -7.944 1.209
2 HA LEU 1 HA LEU 1 0.190 -5.943 1.004
3 HB2 LEU 1 2HB LEU 1 -2.023 -6.498 2.945
4 HB3 LEU 1 3HB LEU 1 -0.854 -5.215 3.249
5 HG LEU 1 HG LEU 1 -1.581 -4.444 0.833
6 HD11 LEU 1 1HD1 LEU 1 -3.950 -4.863 0.426
7 HD12 LEU 1 2HD1 LEU 1 -4.001 -5.953 1.811
8 HD13 LEU 1 3HD1 LEU 1 -3.023 -6.364 0.403
9 HD21 LEU 1 1HD2 LEU 1 -2.776 -3.970 3.508
10 HD22 LEU 1 2HD2 LEU 1 -3.605 -3.295 2.105
11 HD23 LEU 1 3HD2 LEU 1 -1.927 -2.860 2.431
12 H GLY 2 H GLY 2 2.106 -7.275 1.220
13 HA2 GLY 2 2HA GLY 2 2.625 -8.439 3.837
14 HA3 GLY 2 3HA GLY 2 3.683 -8.509 2.435
15 H GLN 3 H GLN 3 5.283 -7.020 2.201
16 HA GLN 3 HA GLN 3 6.775 -5.403 2.775
17 HB2 GLN 3 2HB GLN 3 4.149 -4.234 3.447
18 HB3 GLN 3 3HB GLN 3 5.531 -3.480 4.229
19 HG2 GLN 3 2HG GLN 3 6.543 -2.993 2.117
20 HG3 GLN 3 3HG GLN 3 5.309 -3.918 1.262
21 HE21 GLN 3 1HE2 GLN 3 6.279 -0.915 1.789
22 HE22 GLN 3 2HE2 GLN 3 4.773 -0.068 1.748
23 H GLN 4 H GLN 4 7.522 -7.234 4.209
24 HA GLN 4 HA GLN 4 8.264 -6.210 6.726
25 HB2 GLN 4 2HB GLN 4 5.868 -6.826 7.190
26 HB3 GLN 4 3HB GLN 4 6.305 -8.502 6.888
27 HG2 GLN 4 2HG GLN 4 7.927 -8.391 8.729
28 HG3 GLN 4 3HG GLN 4 7.425 -6.731 9.049
29 HE21 GLN 4 1HE2 GLN 4 6.129 -10.013 8.758
30 HE22 GLN 4 2HE2 GLN 4 4.930 -9.836 9.988
31 H GLN 5 H GLN 5 10.107 -6.918 5.280
32 HA GLN 5 HA GLN 5 10.743 -9.525 4.669
33 HB2 GLN 5 2HB GLN 5 12.070 -7.070 4.642
34 HB3 GLN 5 3HB GLN 5 13.074 -8.104 5.649
35 HG2 GLN 5 2HG GLN 5 13.907 -8.359 3.481
36 HG3 GLN 5 3HG GLN 5 12.946 -9.807 3.778
37 HE21 GLN 5 1HE2 GLN 5 13.747 -8.358 1.291
38 HE22 GLN 5 2HE2 GLN 5 12.268 -8.098 0.437
39 H ALA 6 H ALA 6 11.094 -7.844 7.745
40 HA ALA 6 HA ALA 6 11.449 -8.598 9.863
41 HB1 ALA 6 1HB ALA 6 10.724 -10.783 10.454
42 HB2 ALA 6 2HB ALA 6 9.646 -10.207 9.182
43 HB3 ALA 6 3HB ALA 6 10.920 -11.365 8.801
44 H PHE 7 H PHE 7 13.705 -7.957 9.339
45 HA PHE 7 HA PHE 7 15.645 -9.880 8.597
46 HB2 PHE 7 2HB PHE 7 15.594 -7.109 9.118
47 HB3 PHE 7 3HB PHE 7 16.776 -7.794 10.228
48 HD1 PHE 7 HD1 PHE 7 15.826 -8.500 6.687
49 HD2 PHE 7 HD2 PHE 7 18.910 -7.513 9.450
50 HE1 PHE 7 HE1 PHE 7 17.478 -8.583 4.867
51 HE2 PHE 7 HE2 PHE 7 20.567 -7.595 7.633
52 HZ PHE 7 HZ PHE 7 19.853 -8.129 5.338
53 HA PRO 8 HA PRO 8 16.671 -10.132 13.312
54 HB2 PRO 8 2HB PRO 8 14.919 -8.973 15.031
55 HB3 PRO 8 3HB PRO 8 16.294 -8.109 14.334
56 HG2 PRO 8 2HG PRO 8 13.419 -8.076 13.504
57 HG3 PRO 8 3HG PRO 8 14.557 -6.724 13.650
58 HD2 PRO 8 2HD PRO 8 13.940 -7.858 11.270
59 HD3 PRO 8 3HD PRO 8 15.538 -7.165 11.612
60 HA PRO 9 HA PRO 9 14.074 -13.552 14.253
61 HB2 PRO 9 2HB PRO 9 14.422 -13.854 16.928
62 HB3 PRO 9 3HB PRO 9 15.675 -14.248 15.746
63 HG2 PRO 9 2HG PRO 9 15.363 -11.791 17.427
64 HG3 PRO 9 3HG PRO 9 16.829 -12.720 17.066
65 HD2 PRO 9 2HD PRO 9 16.215 -10.413 15.788
66 HD3 PRO 9 3HD PRO 9 17.094 -11.737 14.998
67 H GLN 10 H GLN 10 12.045 -12.546 13.771
68 HA GLN 10 HA GLN 10 10.163 -12.656 15.830
69 HB2 GLN 10 2HB GLN 10 11.022 -10.620 16.711
70 HB3 GLN 10 3HB GLN 10 11.104 -9.883 15.116
71 HG2 GLN 10 2HG GLN 10 8.783 -9.607 14.999
72 HG3 GLN 10 3HG GLN 10 8.499 -10.724 16.333
73 HE21 GLN 10 1HE2 GLN 10 9.889 -7.589 15.520
74 HE22 GLN 10 2HE2 GLN 10 9.609 -6.861 17.062
75 H GLN 11 H GLN 11 9.101 -13.856 14.248
76 HA GLN 11 HA GLN 11 7.677 -12.233 12.273
77 HB2 GLN 11 2HB GLN 11 9.700 -13.418 11.246
78 HB3 GLN 11 3HB GLN 11 8.821 -14.916 11.523
79 HG2 GLN 11 2HG GLN 11 7.066 -13.113 10.226
80 HG3 GLN 11 3HG GLN 11 8.601 -13.097 9.360
81 HE21 GLN 11 1HE2 GLN 11 9.511 -15.272 8.860
82 HE22 GLN 11 2HE2 GLN 11 8.404 -16.507 8.376
83 HA PRO 12 HA PRO 12 4.950 -15.123 14.692
84 HB2 PRO 12 2HB PRO 12 3.112 -13.233 15.338
85 HB3 PRO 12 3HB PRO 12 4.556 -13.541 16.310
86 HG2 PRO 12 2HG PRO 12 4.061 -11.398 14.279
87 HG3 PRO 12 3HG PRO 12 4.841 -11.276 15.867
88 HD2 PRO 12 2HD PRO 12 6.249 -11.405 13.559
89 HD3 PRO 12 3HD PRO 12 6.850 -12.089 15.083
90 H TYR 13 H TYR 13 3.521 -16.282 13.571
91 HA TYR 13 HA TYR 13 2.568 -15.465 11.029
92 HB2 TYR 13 2HB TYR 13 2.889 -17.871 12.238
93 HB3 TYR 13 3HB TYR 13 1.147 -17.672 12.388
94 HD1 TYR 13 HD1 TYR 13 3.421 -19.276 10.494
95 HD2 TYR 13 HD2 TYR 13 0.237 -16.500 9.984
96 HE1 TYR 13 HE1 TYR 13 3.141 -20.033 8.171
97 HE2 TYR 13 HE2 TYR 13 -0.053 -17.251 7.659
98 HH TYR 13 HH TYR 13 0.619 -18.655 6.081
Start of MODEL 33
1 H1 LEU 1 H LEU 1 -2.912 -6.359 2.767
2 HA LEU 1 HA LEU 1 -0.945 -6.211 1.594
3 HB2 LEU 1 2HB LEU 1 -1.361 -3.472 2.456
4 HB3 LEU 1 3HB LEU 1 0.348 -3.901 2.414
5 HG LEU 1 HG LEU 1 -0.436 -4.820 -0.000
6 HD11 LEU 1 1HD1 LEU 1 -2.731 -3.718 0.661
7 HD12 LEU 1 2HD1 LEU 1 -2.107 -3.612 -0.984
8 HD13 LEU 1 3HD1 LEU 1 -1.924 -2.247 0.118
9 HD21 LEU 1 1HD2 LEU 1 1.347 -3.071 0.845
10 HD22 LEU 1 2HD2 LEU 1 0.178 -1.916 0.205
11 HD23 LEU 1 3HD2 LEU 1 0.870 -3.148 -0.851
12 H GLY 2 H GLY 2 1.193 -6.804 2.021
13 HA2 GLY 2 2HA GLY 2 1.679 -7.526 4.793
14 HA3 GLY 2 3HA GLY 2 2.623 -8.033 3.400
15 H GLN 3 H GLN 3 4.308 -6.733 2.653
16 HA GLN 3 HA GLN 3 6.060 -5.295 2.836
17 HB2 GLN 3 2HB GLN 3 3.737 -3.725 3.761
18 HB3 GLN 3 3HB GLN 3 5.307 -3.107 4.254
19 HG2 GLN 3 2HG GLN 3 6.027 -2.937 1.979
20 HG3 GLN 3 3HG GLN 3 4.569 -3.749 1.411
21 HE21 GLN 3 1HE2 GLN 3 4.946 -1.527 0.181
22 HE22 GLN 3 2HE2 GLN 3 3.969 -0.235 0.779
23 H GLN 4 H GLN 4 6.792 -7.088 4.324
24 HA GLN 4 HA GLN 4 8.042 -5.974 6.589
25 HB2 GLN 4 2HB GLN 4 5.692 -6.215 7.457
26 HB3 GLN 4 3HB GLN 4 5.867 -7.955 7.267
27 HG2 GLN 4 2HG GLN 4 7.762 -7.914 8.830
28 HG3 GLN 4 3HG GLN 4 7.520 -6.182 9.051
29 HE21 GLN 4 1HE2 GLN 4 6.208 -9.359 9.630
30 HE22 GLN 4 2HE2 GLN 4 5.093 -8.891 10.864
31 H GLN 5 H GLN 5 9.518 -7.051 4.948
32 HA GLN 5 HA GLN 5 9.724 -9.764 4.536
33 HB2 GLN 5 2HB GLN 5 11.314 -7.525 4.035
34 HB3 GLN 5 3HB GLN 5 12.341 -8.596 4.978
35 HG2 GLN 5 2HG GLN 5 12.826 -9.425 2.945
36 HG3 GLN 5 3HG GLN 5 11.368 -10.370 3.239
37 HE21 GLN 5 1HE2 GLN 5 12.312 -7.194 1.967
38 HE22 GLN 5 2HE2 GLN 5 11.206 -7.207 0.640
39 H ALA 6 H ALA 6 10.575 -7.911 7.373
40 HA ALA 6 HA ALA 6 11.147 -8.527 9.488
41 HB1 ALA 6 1HB ALA 6 10.366 -10.571 10.337
42 HB2 ALA 6 2HB ALA 6 9.233 -10.148 9.052
43 HB3 ALA 6 3HB ALA 6 10.478 -11.364 8.765
44 H PHE 7 H PHE 7 13.346 -8.010 8.670
45 HA PHE 7 HA PHE 7 15.130 -10.054 7.860
46 HB2 PHE 7 2HB PHE 7 15.222 -7.253 8.176
47 HB3 PHE 7 3HB PHE 7 16.503 -7.903 9.194
48 HD1 PHE 7 HD1 PHE 7 15.143 -8.020 5.743
49 HD2 PHE 7 HD2 PHE 7 18.529 -8.558 8.264
50 HE1 PHE 7 HE1 PHE 7 16.572 -8.293 3.759
51 HE2 PHE 7 HE2 PHE 7 19.964 -8.831 6.284
52 HZ PHE 7 HZ PHE 7 18.987 -8.698 4.028
53 HA PRO 8 HA PRO 8 16.681 -10.012 12.435
54 HB2 PRO 8 2HB PRO 8 15.173 -8.668 14.249
55 HB3 PRO 8 3HB PRO 8 16.485 -7.909 13.340
56 HG2 PRO 8 2HG PRO 8 13.535 -7.824 12.837
57 HG3 PRO 8 3HG PRO 8 14.723 -6.510 12.754
58 HD2 PRO 8 2HD PRO 8 13.804 -7.784 10.549
59 HD3 PRO 8 3HD PRO 8 15.451 -7.131 10.657
60 HA PRO 9 HA PRO 9 14.107 -13.256 13.913
61 HB2 PRO 9 2HB PRO 9 14.750 -13.381 16.547
62 HB3 PRO 9 3HB PRO 9 15.847 -13.905 15.265
63 HG2 PRO 9 2HG PRO 9 15.803 -11.325 16.783
64 HG3 PRO 9 3HG PRO 9 17.190 -12.333 16.330
65 HD2 PRO 9 2HD PRO 9 16.503 -10.100 14.961
66 HD3 PRO 9 3HD PRO 9 17.246 -11.510 14.178
67 H GLN 10 H GLN 10 11.987 -12.623 13.753
68 HA GLN 10 HA GLN 10 10.501 -12.233 16.084
69 HB2 GLN 10 2HB GLN 10 11.334 -10.009 16.231
70 HB3 GLN 10 3HB GLN 10 11.083 -9.727 14.514
71 HG2 GLN 10 2HG GLN 10 8.760 -9.566 14.764
72 HG3 GLN 10 3HG GLN 10 8.800 -10.287 16.372
73 HE21 GLN 10 1HE2 GLN 10 10.062 -7.494 14.590
74 HE22 GLN 10 2HE2 GLN 10 9.882 -6.367 15.887
75 H GLN 11 H GLN 11 9.297 -13.855 15.081
76 HA GLN 11 HA GLN 11 7.134 -12.956 13.481
77 HB2 GLN 11 2HB GLN 11 8.850 -13.092 11.718
78 HB3 GLN 11 3HB GLN 11 9.127 -14.780 12.125
79 HG2 GLN 11 2HG GLN 11 7.588 -15.329 10.640
80 HG3 GLN 11 3HG GLN 11 6.381 -14.568 11.676
81 HE21 GLN 11 1HE2 GLN 11 5.121 -13.889 9.968
82 HE22 GLN 11 2HE2 GLN 11 5.598 -12.615 8.904
83 HA PRO 12 HA PRO 12 6.520 -16.770 16.069
84 HB2 PRO 12 2HB PRO 12 4.370 -15.801 17.414
85 HB3 PRO 12 3HB PRO 12 6.035 -15.527 17.940
86 HG2 PRO 12 2HG PRO 12 4.206 -13.710 16.419
87 HG3 PRO 12 3HG PRO 12 5.300 -13.328 17.761
88 HD2 PRO 12 2HD PRO 12 5.929 -12.813 15.179
89 HD3 PRO 12 3HD PRO 12 7.152 -13.240 16.393
90 H TYR 13 H TYR 13 5.880 -17.828 14.126
91 HA TYR 13 HA TYR 13 2.977 -17.723 13.645
92 HB2 TYR 13 2HB TYR 13 4.041 -16.674 11.750
93 HB3 TYR 13 3HB TYR 13 5.182 -18.005 11.596
94 HD1 TYR 13 HD1 TYR 13 4.641 -19.929 10.338
95 HD2 TYR 13 HD2 TYR 13 1.606 -17.095 11.264
96 HE1 TYR 13 HE1 TYR 13 3.115 -21.063 8.778
97 HE2 TYR 13 HE2 TYR 13 0.071 -18.221 9.707
98 HH TYR 13 HH TYR 13 -0.261 -20.099 8.483
Start of MODEL 34
1 H1 LEU 1 H LEU 1 4.274 -10.045 5.519
2 HA LEU 1 HA LEU 1 2.756 -8.996 3.616
3 HB2 LEU 1 2HB LEU 1 1.930 -9.748 6.402
4 HB3 LEU 1 3HB LEU 1 0.749 -9.274 5.183
5 HG LEU 1 HG LEU 1 2.154 -11.224 3.880
6 HD11 LEU 1 1HD1 LEU 1 2.320 -11.703 6.804
7 HD12 LEU 1 2HD1 LEU 1 3.432 -12.159 5.514
8 HD13 LEU 1 3HD1 LEU 1 1.945 -13.075 5.760
9 HD21 LEU 1 1HD2 LEU 1 -0.421 -11.023 5.307
10 HD22 LEU 1 2HD2 LEU 1 0.129 -12.654 4.920
11 HD23 LEU 1 3HD2 LEU 1 -0.078 -11.464 3.634
12 H GLY 2 H GLY 2 2.043 -7.066 2.997
13 HA2 GLY 2 2HA GLY 2 1.155 -4.932 3.149
14 HA3 GLY 2 3HA GLY 2 1.122 -5.107 4.897
15 H GLN 3 H GLN 3 3.753 -5.179 2.494
16 HA GLN 3 HA GLN 3 5.702 -4.018 2.347
17 HB2 GLN 3 2HB GLN 3 3.779 -2.063 3.441
18 HB3 GLN 3 3HB GLN 3 5.475 -1.667 3.682
19 HG2 GLN 3 2HG GLN 3 5.891 -1.732 1.328
20 HG3 GLN 3 3HG GLN 3 4.268 -2.343 1.012
21 HE21 GLN 3 1HE2 GLN 3 4.906 -0.230 -0.386
22 HE22 GLN 3 2HE2 GLN 3 4.169 1.210 0.222
23 H GLN 4 H GLN 4 6.363 -5.818 3.860
24 HA GLN 4 HA GLN 4 8.060 -4.788 5.858
25 HB2 GLN 4 2HB GLN 4 5.840 -4.618 7.033
26 HB3 GLN 4 3HB GLN 4 5.733 -6.372 6.952
27 HG2 GLN 4 2HG GLN 4 7.344 -6.687 8.530
28 HG3 GLN 4 3HG GLN 4 8.174 -5.180 8.144
29 HE21 GLN 4 1HE2 GLN 4 7.582 -3.311 9.160
30 HE22 GLN 4 2HE2 GLN 4 6.465 -3.257 10.476
31 H GLN 5 H GLN 5 9.274 -6.119 4.294
32 HA GLN 5 HA GLN 5 9.019 -8.832 3.904
33 HB2 GLN 5 2HB GLN 5 10.934 -6.885 3.324
34 HB3 GLN 5 3HB GLN 5 11.806 -8.104 4.245
35 HG2 GLN 5 2HG GLN 5 12.079 -8.999 2.196
36 HG3 GLN 5 3HG GLN 5 10.511 -9.714 2.567
37 HE21 GLN 5 1HE2 GLN 5 12.251 -7.523 0.585
38 HE22 GLN 5 2HE2 GLN 5 10.944 -7.071 -0.451
39 H ALA 6 H ALA 6 10.489 -7.134 6.621
40 HA ALA 6 HA ALA 6 11.098 -7.820 8.704
41 HB1 ALA 6 1HB ALA 6 10.057 -10.256 9.224
42 HB2 ALA 6 2HB ALA 6 9.154 -8.746 9.361
43 HB3 ALA 6 3HB ALA 6 9.008 -9.732 7.906
44 H PHE 7 H PHE 7 13.254 -7.982 7.642
45 HA PHE 7 HA PHE 7 14.295 -10.483 6.818
46 HB2 PHE 7 2HB PHE 7 15.202 -7.815 6.925
47 HB3 PHE 7 3HB PHE 7 16.352 -8.761 7.864
48 HD1 PHE 7 HD1 PHE 7 15.049 -8.035 4.562
49 HD2 PHE 7 HD2 PHE 7 17.599 -10.599 6.808
50 HE1 PHE 7 HE1 PHE 7 16.122 -8.787 2.479
51 HE2 PHE 7 HE2 PHE 7 18.676 -11.355 4.729
52 HZ PHE 7 HZ PHE 7 17.939 -10.448 2.561
53 HA PRO 8 HA PRO 8 16.283 -10.695 11.216
54 HB2 PRO 8 2HB PRO 8 15.418 -8.902 13.062
55 HB3 PRO 8 3HB PRO 8 16.783 -8.588 11.985
56 HG2 PRO 8 2HG PRO 8 13.939 -7.685 11.750
57 HG3 PRO 8 3HG PRO 8 15.430 -6.769 11.465
58 HD2 PRO 8 2HD PRO 8 13.958 -7.819 9.450
59 HD3 PRO 8 3HD PRO 8 15.723 -7.660 9.360
60 HA PRO 9 HA PRO 9 13.079 -13.002 13.151
61 HB2 PRO 9 2HB PRO 9 13.943 -13.196 15.718
62 HB3 PRO 9 3HB PRO 9 14.704 -14.066 14.380
63 HG2 PRO 9 2HG PRO 9 15.549 -11.520 15.709
64 HG3 PRO 9 3HG PRO 9 16.540 -12.900 15.202
65 HD2 PRO 9 2HD PRO 9 16.362 -10.623 13.748
66 HD3 PRO 9 3HD PRO 9 16.591 -12.218 13.001
67 H GLN 10 H GLN 10 11.084 -12.465 13.761
68 HA GLN 10 HA GLN 10 10.410 -11.035 16.062
69 HB2 GLN 10 2HB GLN 10 11.250 -9.047 15.060
70 HB3 GLN 10 3HB GLN 10 10.469 -9.407 13.526
71 HG2 GLN 10 2HG GLN 10 8.487 -8.575 14.183
72 HG3 GLN 10 3HG GLN 10 8.670 -9.152 15.839
73 HE21 GLN 10 1HE2 GLN 10 8.186 -7.323 16.919
74 HE22 GLN 10 2HE2 GLN 10 9.096 -5.858 16.813
75 H GLN 11 H GLN 11 8.940 -12.735 16.197
76 HA GLN 11 HA GLN 11 6.962 -13.824 15.921
77 HB2 GLN 11 2HB GLN 11 6.216 -11.393 16.217
78 HB3 GLN 11 3HB GLN 11 5.983 -11.370 14.474
79 HG2 GLN 11 2HG GLN 11 4.699 -13.680 15.496
80 HG3 GLN 11 3HG GLN 11 4.224 -12.302 16.488
81 HE21 GLN 11 1HE2 GLN 11 2.161 -12.107 15.772
82 HE22 GLN 11 2HE2 GLN 11 1.740 -11.677 14.153
83 HA PRO 12 HA PRO 12 8.077 -14.784 11.496
84 HB2 PRO 12 2HB PRO 12 8.751 -17.371 11.966
85 HB3 PRO 12 3HB PRO 12 9.900 -16.037 12.114
86 HG2 PRO 12 2HG PRO 12 8.362 -17.459 14.253
87 HG3 PRO 12 3HG PRO 12 10.061 -16.950 14.247
88 HD2 PRO 12 2HD PRO 12 8.125 -15.551 15.522
89 HD3 PRO 12 3HD PRO 12 9.540 -14.771 14.787
90 H TYR 13 H TYR 13 6.100 -14.861 10.567
91 HA TYR 13 HA TYR 13 4.526 -17.297 10.967
92 HB2 TYR 13 2HB TYR 13 3.646 -15.283 12.333
93 HB3 TYR 13 3HB TYR 13 3.136 -14.636 10.777
94 HD1 TYR 13 HD1 TYR 13 2.688 -17.445 13.140
95 HD2 TYR 13 HD2 TYR 13 1.203 -15.468 9.676
96 HE1 TYR 13 HE1 TYR 13 0.629 -18.783 13.266
97 HE2 TYR 13 HE2 TYR 13 -0.861 -16.801 9.794
98 HH TYR 13 HH TYR 13 -1.486 -18.987 12.488
Start of MODEL 35
1 H1 LEU 1 H LEU 1 2.356 -5.900 -0.026
2 HA LEU 1 HA LEU 1 1.153 -7.781 0.522
3 HB2 LEU 1 2HB LEU 1 2.792 -8.976 -1.006
4 HB3 LEU 1 3HB LEU 1 3.713 -9.355 0.448
5 HG LEU 1 HG LEU 1 1.007 -10.152 0.857
6 HD11 LEU 1 1HD1 LEU 1 2.172 -10.853 -1.805
7 HD12 LEU 1 2HD1 LEU 1 0.519 -10.400 -1.388
8 HD13 LEU 1 3HD1 LEU 1 1.130 -11.997 -0.958
9 HD21 LEU 1 1HD2 LEU 1 2.139 -12.411 0.972
10 HD22 LEU 1 2HD2 LEU 1 2.769 -11.170 2.055
11 HD23 LEU 1 3HD2 LEU 1 3.641 -11.576 0.576
12 H GLY 2 H GLY 2 0.920 -6.666 2.535
13 HA2 GLY 2 2HA GLY 2 0.738 -7.241 4.848
14 HA3 GLY 2 3HA GLY 2 2.277 -8.082 4.725
15 H GLN 3 H GLN 3 3.636 -5.945 3.332
16 HA GLN 3 HA GLN 3 4.908 -4.116 3.788
17 HB2 GLN 3 2HB GLN 3 2.262 -3.456 4.919
18 HB3 GLN 3 3HB GLN 3 3.605 -2.503 5.538
19 HG2 GLN 3 2HG GLN 3 4.175 -1.759 3.337
20 HG3 GLN 3 3HG GLN 3 2.995 -2.850 2.613
21 HE21 GLN 3 1HE2 GLN 3 3.433 0.055 4.499
22 HE22 GLN 3 2HE2 GLN 3 1.853 0.701 4.233
23 H GLN 4 H GLN 4 6.166 -5.846 4.968
24 HA GLN 4 HA GLN 4 7.113 -4.813 7.411
25 HB2 GLN 4 2HB GLN 4 4.957 -5.859 8.181
26 HB3 GLN 4 3HB GLN 4 5.616 -7.419 7.705
27 HG2 GLN 4 2HG GLN 4 6.310 -7.531 9.821
28 HG3 GLN 4 3HG GLN 4 7.606 -6.466 9.280
29 HE21 GLN 4 1HE2 GLN 4 7.666 -4.381 9.973
30 HE22 GLN 4 2HE2 GLN 4 6.579 -3.729 11.146
31 H GLN 5 H GLN 5 9.030 -5.032 6.190
32 HA GLN 5 HA GLN 5 10.008 -7.285 4.948
33 HB2 GLN 5 2HB GLN 5 11.010 -4.775 5.645
34 HB3 GLN 5 3HB GLN 5 12.116 -5.917 6.395
35 HG2 GLN 5 2HG GLN 5 12.323 -7.044 4.174
36 HG3 GLN 5 3HG GLN 5 11.393 -5.714 3.485
37 HE21 GLN 5 1HE2 GLN 5 14.332 -6.488 5.267
38 HE22 GLN 5 2HE2 GLN 5 15.253 -5.146 4.690
39 H ALA 6 H ALA 6 9.952 -6.516 8.369
40 HA ALA 6 HA ALA 6 10.332 -7.777 10.225
41 HB1 ALA 6 1HB ALA 6 10.372 -10.167 8.393
42 HB2 ALA 6 2HB ALA 6 9.999 -10.132 10.117
43 HB3 ALA 6 3HB ALA 6 8.891 -9.394 8.960
44 H PHE 7 H PHE 7 12.454 -6.655 10.126
45 HA PHE 7 HA PHE 7 14.750 -7.943 9.087
46 HB2 PHE 7 2HB PHE 7 14.163 -5.484 10.336
47 HB3 PHE 7 3HB PHE 7 15.394 -6.256 11.330
48 HD1 PHE 7 HD1 PHE 7 17.602 -6.734 10.430
49 HD2 PHE 7 HD2 PHE 7 14.643 -4.748 8.102
50 HE1 PHE 7 HE1 PHE 7 19.337 -6.022 8.837
51 HE2 PHE 7 HE2 PHE 7 16.373 -4.034 6.505
52 HZ PHE 7 HZ PHE 7 18.723 -4.672 6.871
53 HA PRO 8 HA PRO 8 15.565 -9.363 13.632
54 HB2 PRO 8 2HB PRO 8 13.544 -9.047 15.417
55 HB3 PRO 8 3HB PRO 8 14.770 -7.808 15.125
56 HG2 PRO 8 2HG PRO 8 11.984 -8.006 14.049
57 HG3 PRO 8 3HG PRO 8 12.844 -6.586 14.673
58 HD2 PRO 8 2HD PRO 8 12.568 -7.076 12.024
59 HD3 PRO 8 3HD PRO 8 13.992 -6.260 12.701
60 HA PRO 9 HA PRO 9 13.599 -13.285 13.337
61 HB2 PRO 9 2HB PRO 9 13.861 -14.279 15.850
62 HB3 PRO 9 3HB PRO 9 15.224 -14.109 14.737
63 HG2 PRO 9 2HG PRO 9 14.378 -12.321 16.985
64 HG3 PRO 9 3HG PRO 9 16.007 -12.857 16.533
65 HD2 PRO 9 2HD PRO 9 15.044 -10.412 15.879
66 HD3 PRO 9 3HD PRO 9 16.191 -11.294 14.849
67 H GLN 10 H GLN 10 11.450 -12.469 12.955
68 HA GLN 10 HA GLN 10 9.508 -13.498 14.676
69 HB2 GLN 10 2HB GLN 10 9.948 -11.734 16.211
70 HB3 GLN 10 3HB GLN 10 9.986 -10.533 14.927
71 HG2 GLN 10 2HG GLN 10 7.673 -10.543 14.679
72 HG3 GLN 10 3HG GLN 10 7.498 -12.091 15.505
73 HE21 GLN 10 1HE2 GLN 10 6.141 -9.591 16.033
74 HE22 GLN 10 2HE2 GLN 10 6.507 -9.168 17.667
75 H GLN 11 H GLN 11 8.795 -14.287 12.681
76 HA GLN 11 HA GLN 11 7.598 -12.282 10.886
77 HB2 GLN 11 2HB GLN 11 9.104 -14.744 10.395
78 HB3 GLN 11 3HB GLN 11 7.614 -14.641 9.468
79 HG2 GLN 11 2HG GLN 11 8.737 -13.428 7.997
80 HG3 GLN 11 3HG GLN 11 8.747 -12.133 9.193
81 HE21 GLN 11 1HE2 GLN 11 10.598 -14.424 7.475
82 HE22 GLN 11 2HE2 GLN 11 12.135 -14.045 8.167
83 HA PRO 12 HA PRO 12 3.556 -13.807 11.640
84 HB2 PRO 12 2HB PRO 12 2.427 -13.731 9.172
85 HB3 PRO 12 3HB PRO 12 2.792 -12.276 10.107
86 HG2 PRO 12 2HG PRO 12 4.346 -13.535 7.880
87 HG3 PRO 12 3HG PRO 12 3.991 -11.822 8.166
88 HD2 PRO 12 2HD PRO 12 6.375 -12.940 8.795
89 HD3 PRO 12 3HD PRO 12 5.670 -11.605 9.729
90 H TYR 13 H TYR 13 4.479 -15.977 12.146
91 HA TYR 13 HA TYR 13 4.676 -18.029 10.239
92 HB2 TYR 13 2HB TYR 13 5.663 -18.248 12.451
93 HB3 TYR 13 3HB TYR 13 4.071 -18.185 13.199
94 HD1 TYR 13 HD1 TYR 13 5.916 -20.175 10.625
95 HD2 TYR 13 HD2 TYR 13 3.096 -20.184 13.811
96 HE1 TYR 13 HE1 TYR 13 5.752 -22.624 10.465
97 HE2 TYR 13 HE2 TYR 13 2.925 -22.633 13.660
98 HH TYR 13 HH TYR 13 3.481 -24.449 12.480
Start of MODEL 36
1 H1 LEU 1 H LEU 1 3.179 -11.293 -2.099
2 HA LEU 1 HA LEU 1 3.052 -8.429 -1.946
3 HB2 LEU 1 2HB LEU 1 0.625 -9.799 -2.020
4 HB3 LEU 1 3HB LEU 1 0.888 -9.432 -0.317
5 HG LEU 1 HG LEU 1 1.431 -7.042 -1.629
6 HD11 LEU 1 1HD1 LEU 1 0.327 -8.211 -3.619
7 HD12 LEU 1 2HD1 LEU 1 -0.282 -6.621 -3.160
8 HD13 LEU 1 3HD1 LEU 1 -1.173 -8.072 -2.703
9 HD21 LEU 1 1HD2 LEU 1 -1.018 -6.595 -0.725
10 HD22 LEU 1 2HD2 LEU 1 0.352 -6.812 0.365
11 HD23 LEU 1 3HD2 LEU 1 -0.749 -8.155 0.054
12 H GLY 2 H GLY 2 3.354 -7.629 0.219
13 HA2 GLY 2 2HA GLY 2 3.675 -9.393 2.435
14 HA3 GLY 2 3HA GLY 2 5.229 -8.991 1.720
15 H GLN 3 H GLN 3 5.801 -6.705 1.575
16 HA GLN 3 HA GLN 3 6.120 -4.655 2.506
17 HB2 GLN 3 2HB GLN 3 3.196 -5.050 2.612
18 HB3 GLN 3 3HB GLN 3 3.829 -3.824 3.702
19 HG2 GLN 3 2HG GLN 3 4.800 -2.614 1.881
20 HG3 GLN 3 3HG GLN 3 4.391 -3.902 0.749
21 HE21 GLN 3 1HE2 GLN 3 3.658 -1.120 0.624
22 HE22 GLN 3 2HE2 GLN 3 1.931 -1.058 0.637
23 H GLN 4 H GLN 4 7.437 -6.045 4.021
24 HA GLN 4 HA GLN 4 7.090 -5.142 6.666
25 HB2 GLN 4 2HB GLN 4 5.316 -6.926 6.573
26 HB3 GLN 4 3HB GLN 4 6.600 -8.103 6.330
27 HG2 GLN 4 2HG GLN 4 6.961 -8.226 8.505
28 HG3 GLN 4 3HG GLN 4 7.218 -6.485 8.600
29 HE21 GLN 4 1HE2 GLN 4 4.991 -5.277 8.305
30 HE22 GLN 4 2HE2 GLN 4 3.748 -5.833 9.369
31 H GLN 5 H GLN 5 9.249 -4.550 6.222
32 HA GLN 5 HA GLN 5 11.312 -6.157 5.365
33 HB2 GLN 5 2HB GLN 5 11.071 -3.593 6.440
34 HB3 GLN 5 3HB GLN 5 12.191 -4.420 7.515
35 HG2 GLN 5 2HG GLN 5 13.612 -3.517 5.960
36 HG3 GLN 5 3HG GLN 5 13.365 -5.141 5.318
37 HE21 GLN 5 1HE2 GLN 5 12.532 -1.765 4.971
38 HE22 GLN 5 2HE2 GLN 5 11.980 -1.868 3.338
39 H ALA 6 H ALA 6 9.966 -5.862 8.611
40 HA ALA 6 HA ALA 6 10.144 -7.176 10.461
41 HB1 ALA 6 1HB ALA 6 9.752 -8.947 8.646
42 HB2 ALA 6 2HB ALA 6 11.477 -9.286 8.799
43 HB3 ALA 6 3HB ALA 6 10.413 -9.478 10.193
44 H PHE 7 H PHE 7 11.776 -5.517 11.056
45 HA PHE 7 HA PHE 7 14.547 -6.006 10.748
46 HB2 PHE 7 2HB PHE 7 12.929 -3.959 11.817
47 HB3 PHE 7 3HB PHE 7 13.989 -4.477 13.123
48 HD1 PHE 7 HD1 PHE 7 16.221 -3.802 13.193
49 HD2 PHE 7 HD2 PHE 7 13.978 -3.298 9.611
50 HE1 PHE 7 HE1 PHE 7 18.054 -2.468 12.236
51 HE2 PHE 7 HE2 PHE 7 15.807 -1.964 8.649
52 HZ PHE 7 HZ PHE 7 17.849 -1.548 9.961
53 HA PRO 8 HA PRO 8 14.389 -7.665 15.282
54 HB2 PRO 8 2HB PRO 8 11.939 -8.115 16.360
55 HB3 PRO 8 3HB PRO 8 12.777 -6.565 16.495
56 HG2 PRO 8 2HG PRO 8 10.608 -7.387 14.602
57 HG3 PRO 8 3HG PRO 8 10.794 -5.868 15.499
58 HD2 PRO 8 2HD PRO 8 11.454 -6.106 12.884
59 HD3 PRO 8 3HD PRO 8 12.316 -5.018 13.991
60 HA PRO 9 HA PRO 9 13.834 -11.912 14.290
61 HB2 PRO 9 2HB PRO 9 13.636 -13.080 16.732
62 HB3 PRO 9 3HB PRO 9 15.150 -12.420 16.103
63 HG2 PRO 9 2HG PRO 9 13.205 -11.199 18.023
64 HG3 PRO 9 3HG PRO 9 14.977 -11.217 18.086
65 HD2 PRO 9 2HD PRO 9 13.571 -9.067 17.228
66 HD3 PRO 9 3HD PRO 9 15.173 -9.480 16.583
67 H GLN 10 H GLN 10 12.117 -12.925 13.479
68 HA GLN 10 HA GLN 10 9.926 -13.827 14.955
69 HB2 GLN 10 2HB GLN 10 9.157 -11.585 15.163
70 HB3 GLN 10 3HB GLN 10 9.481 -11.243 13.468
71 HG2 GLN 10 2HG GLN 10 7.638 -12.492 12.746
72 HG3 GLN 10 3HG GLN 10 7.466 -13.297 14.305
73 HE21 GLN 10 1HE2 GLN 10 6.956 -11.831 16.154
74 HE22 GLN 10 2HE2 GLN 10 5.840 -10.545 15.862
75 H GLN 11 H GLN 11 10.409 -15.671 13.751
76 HA GLN 11 HA GLN 11 10.602 -15.802 10.963
77 HB2 GLN 11 2HB GLN 11 10.307 -17.700 13.174
78 HB3 GLN 11 3HB GLN 11 9.588 -18.260 11.670
79 HG2 GLN 11 2HG GLN 11 11.616 -18.977 11.132
80 HG3 GLN 11 3HG GLN 11 12.027 -17.283 10.866
81 HE21 GLN 11 1HE2 GLN 11 14.165 -17.560 11.440
82 HE22 GLN 11 2HE2 GLN 11 14.663 -17.841 13.070
83 HA PRO 12 HA PRO 12 6.510 -15.563 9.406
84 HB2 PRO 12 2HB PRO 12 6.504 -17.466 7.469
85 HB3 PRO 12 3HB PRO 12 7.383 -15.940 7.314
86 HG2 PRO 12 2HG PRO 12 8.406 -18.645 8.085
87 HG3 PRO 12 3HG PRO 12 9.126 -17.445 6.995
88 HD2 PRO 12 2HD PRO 12 9.957 -17.775 9.551
89 HD3 PRO 12 3HD PRO 12 9.990 -16.200 8.732
90 H TYR 13 H TYR 13 4.648 -16.219 10.262
91 HA TYR 13 HA TYR 13 4.413 -19.011 11.158
92 HB2 TYR 13 2HB TYR 13 4.174 -17.431 12.972
93 HB3 TYR 13 3HB TYR 13 2.970 -16.515 12.072
94 HD1 TYR 13 HD1 TYR 13 0.681 -17.204 12.012
95 HD2 TYR 13 HD2 TYR 13 3.606 -19.657 13.891
96 HE1 TYR 13 HE1 TYR 13 -1.110 -18.556 13.021
97 HE2 TYR 13 HE2 TYR 13 1.824 -21.016 14.904
98 HH TYR 13 HH TYR 13 -0.372 -21.209 15.253
Start of MODEL 37
1 H1 LEU 1 H LEU 1 3.723 -5.809 9.812
2 HA LEU 1 HA LEU 1 3.653 -5.213 6.995
3 HB2 LEU 1 2HB LEU 1 4.537 -3.890 9.453
4 HB3 LEU 1 3HB LEU 1 5.544 -3.549 8.048
5 HG LEU 1 HG LEU 1 3.162 -3.059 6.959
6 HD11 LEU 1 1HD1 LEU 1 2.172 -1.642 9.077
7 HD12 LEU 1 2HD1 LEU 1 2.684 -3.148 9.837
8 HD13 LEU 1 3HD1 LEU 1 1.543 -3.183 8.493
9 HD21 LEU 1 1HD2 LEU 1 4.809 -1.214 8.679
10 HD22 LEU 1 2HD2 LEU 1 3.522 -0.666 7.605
11 HD23 LEU 1 3HD2 LEU 1 4.943 -1.473 6.939
12 H GLY 2 H GLY 2 4.966 -6.083 5.542
13 HA2 GLY 2 2HA GLY 2 7.713 -6.114 5.588
14 HA3 GLY 2 3HA GLY 2 7.239 -7.648 6.303
15 H GLN 3 H GLN 3 5.058 -8.355 4.821
16 HA GLN 3 HA GLN 3 4.454 -9.383 2.884
17 HB2 GLN 3 2HB GLN 3 5.741 -6.878 2.001
18 HB3 GLN 3 3HB GLN 3 5.623 -8.136 0.778
19 HG2 GLN 3 2HG GLN 3 3.245 -8.230 1.011
20 HG3 GLN 3 3HG GLN 3 3.292 -7.136 2.392
21 HE21 GLN 3 1HE2 GLN 3 1.789 -5.835 1.204
22 HE22 GLN 3 2HE2 GLN 3 2.357 -4.761 -0.024
23 H GLN 4 H GLN 4 5.946 -11.065 3.840
24 HA GLN 4 HA GLN 4 7.491 -12.710 3.560
25 HB2 GLN 4 2HB GLN 4 6.413 -12.987 1.394
26 HB3 GLN 4 3HB GLN 4 7.418 -11.719 0.705
27 HG2 GLN 4 2HG GLN 4 9.006 -13.175 0.218
28 HG3 GLN 4 3HG GLN 4 9.083 -13.716 1.894
29 HE21 GLN 4 1HE2 GLN 4 7.777 -15.465 2.547
30 HE22 GLN 4 2HE2 GLN 4 7.163 -16.600 1.399
31 H GLN 5 H GLN 5 8.876 -11.341 4.931
32 HA GLN 5 HA GLN 5 11.498 -11.228 3.994
33 HB2 GLN 5 2HB GLN 5 10.028 -9.033 3.093
34 HB3 GLN 5 3HB GLN 5 10.947 -8.419 4.461
35 HG2 GLN 5 2HG GLN 5 12.981 -9.481 3.366
36 HG3 GLN 5 3HG GLN 5 11.973 -9.655 1.930
37 HE21 GLN 5 1HE2 GLN 5 11.992 -8.039 0.544
38 HE22 GLN 5 2HE2 GLN 5 12.483 -6.417 0.879
39 H ALA 6 H ALA 6 9.175 -9.706 6.186
40 HA ALA 6 HA ALA 6 9.193 -9.377 8.438
41 HB1 ALA 6 1HB ALA 6 9.535 -11.496 9.114
42 HB2 ALA 6 2HB ALA 6 10.922 -11.724 8.048
43 HB3 ALA 6 3HB ALA 6 11.120 -10.881 9.585
44 H PHE 7 H PHE 7 10.030 -7.220 7.767
45 HA PHE 7 HA PHE 7 12.788 -6.603 7.935
46 HB2 PHE 7 2HB PHE 7 10.411 -5.230 7.285
47 HB3 PHE 7 3HB PHE 7 11.142 -4.340 8.616
48 HD1 PHE 7 HD1 PHE 7 13.931 -4.414 8.221
49 HD2 PHE 7 HD2 PHE 7 10.862 -4.230 5.278
50 HE1 PHE 7 HE1 PHE 7 15.504 -3.356 6.652
51 HE2 PHE 7 HE2 PHE 7 12.430 -3.173 3.704
52 HZ PHE 7 HZ PHE 7 14.755 -2.736 4.390
53 HA PRO 8 HA PRO 8 11.785 -4.991 12.377
54 HB2 PRO 8 2HB PRO 8 9.362 -5.635 13.419
55 HB3 PRO 8 3HB PRO 8 9.643 -4.165 12.478
56 HG2 PRO 8 2HG PRO 8 8.457 -6.773 11.609
57 HG3 PRO 8 3HG PRO 8 7.928 -5.122 11.232
58 HD2 PRO 8 2HD PRO 8 9.367 -6.623 9.498
59 HD3 PRO 8 3HD PRO 8 9.516 -4.856 9.583
60 HA PRO 9 HA PRO 9 12.786 -8.688 14.537
61 HB2 PRO 9 2HB PRO 9 12.221 -8.050 17.115
62 HB3 PRO 9 3HB PRO 9 13.598 -7.373 16.237
63 HG2 PRO 9 2HG PRO 9 10.910 -6.167 16.765
64 HG3 PRO 9 3HG PRO 9 12.512 -5.414 16.862
65 HD2 PRO 9 2HD PRO 9 10.868 -5.071 14.738
66 HD3 PRO 9 3HD PRO 9 12.636 -5.090 14.583
67 H GLN 10 H GLN 10 11.113 -10.004 13.591
68 HA GLN 10 HA GLN 10 9.512 -11.338 15.448
69 HB2 GLN 10 2HB GLN 10 8.051 -9.462 15.522
70 HB3 GLN 10 3HB GLN 10 8.073 -9.288 13.772
71 HG2 GLN 10 2HG GLN 10 7.114 -11.893 14.614
72 HG3 GLN 10 3HG GLN 10 6.150 -10.569 15.266
73 HE21 GLN 10 1HE2 GLN 10 5.898 -12.684 13.028
74 HE22 GLN 10 2HE2 GLN 10 5.271 -11.772 11.702
75 H GLN 11 H GLN 11 10.458 -13.091 14.400
76 HA GLN 11 HA GLN 11 10.557 -13.612 11.694
77 HB2 GLN 11 2HB GLN 11 10.463 -16.069 12.417
78 HB3 GLN 11 3HB GLN 11 11.754 -15.077 13.081
79 HG2 GLN 11 2HG GLN 11 9.303 -15.153 14.690
80 HG3 GLN 11 3HG GLN 11 10.147 -16.693 14.535
81 HE21 GLN 11 1HE2 GLN 11 11.332 -17.026 16.266
82 HE22 GLN 11 2HE2 GLN 11 12.323 -15.858 17.065
83 HA PRO 12 HA PRO 12 6.484 -14.434 10.287
84 HB2 PRO 12 2HB PRO 12 6.911 -16.431 8.498
85 HB3 PRO 12 3HB PRO 12 7.388 -14.756 8.199
86 HG2 PRO 12 2HG PRO 12 9.053 -17.062 9.132
87 HG3 PRO 12 3HG PRO 12 9.440 -15.816 7.931
88 HD2 PRO 12 2HD PRO 12 10.369 -15.728 10.473
89 HD3 PRO 12 3HD PRO 12 10.003 -14.263 9.538
90 H TYR 13 H TYR 13 5.185 -15.278 11.837
91 HA TYR 13 HA TYR 13 5.571 -17.868 12.972
92 HB2 TYR 13 2HB TYR 13 4.250 -15.661 13.797
93 HB3 TYR 13 3HB TYR 13 2.900 -16.604 13.176
94 HD1 TYR 13 HD1 TYR 13 5.973 -17.295 15.203
95 HD2 TYR 13 HD2 TYR 13 1.769 -17.797 14.782
96 HE1 TYR 13 HE1 TYR 13 5.925 -18.591 17.293
97 HE2 TYR 13 HE2 TYR 13 1.709 -19.093 16.871
98 HH TYR 13 HH TYR 13 4.562 -20.205 18.426
Start of MODEL 38
1 H1 LEU 1 H LEU 1 4.793 0.591 1.578
2 HA LEU 1 HA LEU 1 6.152 -2.013 1.554
3 HB2 LEU 1 2HB LEU 1 6.100 -0.114 3.695
4 HB3 LEU 1 3HB LEU 1 5.215 -1.561 4.175
5 HG LEU 1 HG LEU 1 7.823 -2.096 2.944
6 HD11 LEU 1 1HD1 LEU 1 7.964 0.085 4.437
7 HD12 LEU 1 2HD1 LEU 1 9.218 -1.153 4.473
8 HD13 LEU 1 3HD1 LEU 1 7.989 -1.107 5.737
9 HD21 LEU 1 1HD2 LEU 1 6.404 -2.973 5.455
10 HD22 LEU 1 2HD2 LEU 1 7.977 -3.581 4.937
11 HD23 LEU 1 3HD2 LEU 1 6.549 -3.865 3.941
12 H GLY 2 H GLY 2 4.513 -3.028 0.444
13 HA2 GLY 2 2HA GLY 2 1.820 -2.918 1.632
14 HA3 GLY 2 3HA GLY 2 2.184 -3.423 -0.011
15 H GLN 3 H GLN 3 3.406 -4.388 3.196
16 HA GLN 3 HA GLN 3 3.606 -6.423 4.192
17 HB2 GLN 3 2HB GLN 3 1.114 -6.628 2.622
18 HB3 GLN 3 3HB GLN 3 1.835 -8.160 3.095
19 HG2 GLN 3 2HG GLN 3 1.733 -7.568 5.409
20 HG3 GLN 3 3HG GLN 3 1.213 -5.931 5.014
21 HE21 GLN 3 1HE2 GLN 3 0.236 -9.069 5.743
22 HE22 GLN 3 2HE2 GLN 3 -1.451 -8.890 5.416
23 H GLN 4 H GLN 4 5.675 -6.351 2.895
24 HA GLN 4 HA GLN 4 6.190 -8.899 1.812
25 HB2 GLN 4 2HB GLN 4 4.951 -7.846 -0.110
26 HB3 GLN 4 3HB GLN 4 6.264 -6.683 -0.237
27 HG2 GLN 4 2HG GLN 4 7.828 -8.413 -0.776
28 HG3 GLN 4 3HG GLN 4 6.622 -9.660 -0.464
29 HE21 GLN 4 1HE2 GLN 4 8.182 -8.101 -2.840
30 HE22 GLN 4 2HE2 GLN 4 7.019 -8.228 -4.111
31 H GLN 5 H GLN 5 7.670 -8.340 3.625
32 HA GLN 5 HA GLN 5 10.268 -7.903 2.716
33 HB2 GLN 5 2HB GLN 5 8.890 -5.489 2.979
34 HB3 GLN 5 3HB GLN 5 9.877 -5.597 4.431
35 HG2 GLN 5 2HG GLN 5 11.875 -5.751 3.169
36 HG3 GLN 5 3HG GLN 5 10.984 -5.986 1.666
37 HE21 GLN 5 1HE2 GLN 5 10.592 -3.654 4.303
38 HE22 GLN 5 2HE2 GLN 5 10.756 -2.246 3.315
39 H ALA 6 H ALA 6 8.270 -7.122 5.564
40 HA ALA 6 HA ALA 6 8.396 -7.784 7.738
41 HB1 ALA 6 1HB ALA 6 9.906 -10.012 7.948
42 HB2 ALA 6 2HB ALA 6 8.214 -10.009 7.451
43 HB3 ALA 6 3HB ALA 6 9.490 -10.064 6.235
44 H PHE 7 H PHE 7 9.731 -5.785 7.907
45 HA PHE 7 HA PHE 7 12.558 -5.917 7.995
46 HB2 PHE 7 2HB PHE 7 10.586 -3.915 8.233
47 HB3 PHE 7 3HB PHE 7 11.529 -3.852 9.718
48 HD1 PHE 7 HD1 PHE 7 13.659 -2.886 9.751
49 HD2 PHE 7 HD2 PHE 7 11.795 -3.762 6.026
50 HE1 PHE 7 HE1 PHE 7 15.425 -1.637 8.578
51 HE2 PHE 7 HE2 PHE 7 13.558 -2.515 4.847
52 HZ PHE 7 HZ PHE 7 15.376 -1.451 6.122
53 HA PRO 8 HA PRO 8 12.035 -6.148 12.792
54 HB2 PRO 8 2HB PRO 8 9.541 -6.622 13.753
55 HB3 PRO 8 3HB PRO 8 10.165 -4.994 13.463
56 HG2 PRO 8 2HG PRO 8 8.362 -6.664 11.753
57 HG3 PRO 8 3HG PRO 8 8.253 -4.937 12.140
58 HD2 PRO 8 2HD PRO 8 9.257 -5.843 9.795
59 HD3 PRO 8 3HD PRO 8 9.838 -4.356 10.571
60 HA PRO 9 HA PRO 9 12.118 -10.530 13.139
61 HB2 PRO 9 2HB PRO 9 11.758 -10.930 15.800
62 HB3 PRO 9 3HB PRO 9 13.249 -10.266 15.121
63 HG2 PRO 9 2HG PRO 9 10.948 -8.837 16.396
64 HG3 PRO 9 3HG PRO 9 12.688 -8.567 16.606
65 HD2 PRO 9 2HD PRO 9 11.154 -7.011 15.006
66 HD3 PRO 9 3HD PRO 9 12.862 -7.349 14.656
67 H GLN 10 H GLN 10 10.878 -12.439 13.545
68 HA GLN 10 HA GLN 10 8.338 -12.512 14.701
69 HB2 GLN 10 2HB GLN 10 7.526 -11.077 12.986
70 HB3 GLN 10 3HB GLN 10 8.368 -11.981 11.734
71 HG2 GLN 10 2HG GLN 10 6.855 -13.757 11.833
72 HG3 GLN 10 3HG GLN 10 6.218 -13.241 13.394
73 HE21 GLN 10 1HE2 GLN 10 5.530 -10.735 13.146
74 HE22 GLN 10 2HE2 GLN 10 4.386 -10.487 11.876
75 H GLN 11 H GLN 11 9.196 -14.465 15.436
76 HA GLN 11 HA GLN 11 9.039 -16.645 13.481
77 HB2 GLN 11 2HB GLN 11 11.447 -15.922 14.015
78 HB3 GLN 11 3HB GLN 11 11.168 -16.613 15.608
79 HG2 GLN 11 2HG GLN 11 10.334 -18.597 13.880
80 HG3 GLN 11 3HG GLN 11 11.757 -17.918 13.091
81 HE21 GLN 11 1HE2 GLN 11 13.701 -18.511 13.790
82 HE22 GLN 11 2HE2 GLN 11 14.013 -19.424 15.222
83 HA PRO 12 HA PRO 12 6.576 -17.413 17.364
84 HB2 PRO 12 2HB PRO 12 4.278 -18.064 16.073
85 HB3 PRO 12 3HB PRO 12 4.702 -16.402 16.501
86 HG2 PRO 12 2HG PRO 12 4.987 -17.815 13.877
87 HG3 PRO 12 3HG PRO 12 4.414 -16.170 14.205
88 HD2 PRO 12 2HD PRO 12 6.927 -16.691 13.345
89 HD3 PRO 12 3HD PRO 12 6.550 -15.333 14.424
90 H TYR 13 H TYR 13 7.831 -19.271 17.747
91 HA TYR 13 HA TYR 13 7.215 -21.665 16.183
92 HB2 TYR 13 2HB TYR 13 9.602 -20.891 16.867
93 HB3 TYR 13 3HB TYR 13 9.195 -21.568 18.440
94 HD1 TYR 13 HD1 TYR 13 10.300 -23.574 18.724
95 HD2 TYR 13 HD2 TYR 13 8.549 -22.720 14.942
96 HE1 TYR 13 HE1 TYR 13 10.940 -25.812 17.930
97 HE2 TYR 13 HE2 TYR 13 9.183 -24.956 14.137
98 HH TYR 13 HH TYR 13 9.665 -27.289 15.374
Start of MODEL 39
1 H1 LEU 1 H LEU 1 3.812 -8.085 -1.409
2 HA LEU 1 HA LEU 1 3.758 -5.819 -1.695
3 HB2 LEU 1 2HB LEU 1 1.292 -6.947 -2.356
4 HB3 LEU 1 3HB LEU 1 0.902 -5.492 -1.441
5 HG LEU 1 HG LEU 1 2.734 -4.510 -3.174
6 HD11 LEU 1 1HD1 LEU 1 1.463 -6.896 -4.448
7 HD12 LEU 1 2HD1 LEU 1 3.131 -6.331 -4.539
8 HD13 LEU 1 3HD1 LEU 1 1.861 -5.477 -5.416
9 HD21 LEU 1 1HD2 LEU 1 -0.192 -4.607 -3.002
10 HD22 LEU 1 2HD2 LEU 1 0.438 -4.185 -4.594
11 HD23 LEU 1 3HD2 LEU 1 0.892 -3.228 -3.183
12 H GLY 2 H GLY 2 4.521 -4.563 -0.119
13 HA2 GLY 2 2HA GLY 2 3.257 -2.899 1.496
14 HA3 GLY 2 3HA GLY 2 3.085 -4.384 2.421
15 H GLN 3 H GLN 3 5.355 -5.623 2.457
16 HA GLN 3 HA GLN 3 7.441 -5.682 3.358
17 HB2 GLN 3 2HB GLN 3 7.478 -3.306 1.607
18 HB3 GLN 3 3HB GLN 3 8.734 -3.354 2.838
19 HG2 GLN 3 2HG GLN 3 9.549 -5.447 2.015
20 HG3 GLN 3 3HG GLN 3 8.195 -5.585 0.895
21 HE21 GLN 3 1HE2 GLN 3 8.624 -5.053 -1.113
22 HE22 GLN 3 2HE2 GLN 3 9.853 -3.960 -1.642
23 H GLN 4 H GLN 4 6.083 -5.492 5.379
24 HA GLN 4 HA GLN 4 7.359 -3.770 7.207
25 HB2 GLN 4 2HB GLN 4 5.847 -2.131 6.039
26 HB3 GLN 4 3HB GLN 4 4.479 -3.037 6.672
27 HG2 GLN 4 2HG GLN 4 4.644 -1.403 8.245
28 HG3 GLN 4 3HG GLN 4 5.682 -2.631 8.967
29 HE21 GLN 4 1HE2 GLN 4 5.838 0.076 9.598
30 HE22 GLN 4 2HE2 GLN 4 7.361 0.684 9.056
31 H GLN 5 H GLN 5 7.491 -6.042 7.922
32 HA GLN 5 HA GLN 5 5.868 -6.540 10.129
33 HB2 GLN 5 2HB GLN 5 4.576 -7.255 7.749
34 HB3 GLN 5 3HB GLN 5 5.152 -8.770 8.432
35 HG2 GLN 5 2HG GLN 5 3.663 -6.798 10.116
36 HG3 GLN 5 3HG GLN 5 2.808 -7.925 9.065
37 HE21 GLN 5 1HE2 GLN 5 1.863 -8.991 10.794
38 HE22 GLN 5 2HE2 GLN 5 2.759 -10.038 11.836
39 H ALA 6 H ALA 6 7.834 -6.999 11.074
40 HA ALA 6 HA ALA 6 9.539 -8.313 11.815
41 HB1 ALA 6 1HB ALA 6 9.319 -10.658 11.702
42 HB2 ALA 6 2HB ALA 6 7.674 -10.026 11.767
43 HB3 ALA 6 3HB ALA 6 8.348 -10.574 10.232
44 H PHE 7 H PHE 7 10.804 -6.899 10.340
45 HA PHE 7 HA PHE 7 11.576 -7.782 7.763
46 HB2 PHE 7 2HB PHE 7 12.030 -5.516 9.380
47 HB3 PHE 7 3HB PHE 7 13.619 -6.172 8.999
48 HD1 PHE 7 HD1 PHE 7 14.626 -5.163 7.215
49 HD2 PHE 7 HD2 PHE 7 10.403 -5.688 7.160
50 HE1 PHE 7 HE1 PHE 7 14.528 -4.111 4.993
51 HE2 PHE 7 HE2 PHE 7 10.298 -4.637 4.938
52 HZ PHE 7 HZ PHE 7 12.362 -3.848 3.851
53 HA PRO 8 HA PRO 8 15.603 -9.368 9.910
54 HB2 PRO 8 2HB PRO 8 15.616 -9.456 12.624
55 HB3 PRO 8 3HB PRO 8 16.144 -8.041 11.706
56 HG2 PRO 8 2HG PRO 8 13.517 -8.558 13.046
57 HG3 PRO 8 3HG PRO 8 14.490 -7.075 13.025
58 HD2 PRO 8 2HD PRO 8 12.330 -7.424 11.429
59 HD3 PRO 8 3HD PRO 8 13.738 -6.462 10.934
60 HA PRO 9 HA PRO 9 14.263 -13.500 10.596
61 HB2 PRO 9 2HB PRO 9 16.374 -14.609 11.892
62 HB3 PRO 9 3HB PRO 9 16.418 -14.177 10.178
63 HG2 PRO 9 2HG PRO 9 17.486 -12.677 12.539
64 HG3 PRO 9 3HG PRO 9 18.233 -12.947 10.953
65 HD2 PRO 9 2HD PRO 9 17.004 -10.625 11.607
66 HD3 PRO 9 3HD PRO 9 17.014 -11.267 9.952
67 H GLN 10 H GLN 10 12.543 -13.522 11.985
68 HA GLN 10 HA GLN 10 12.843 -14.617 14.535
69 HB2 GLN 10 2HB GLN 10 13.690 -12.537 15.318
70 HB3 GLN 10 3HB GLN 10 12.442 -11.631 14.474
71 HG2 GLN 10 2HG GLN 10 10.795 -12.238 16.008
72 HG3 GLN 10 3HG GLN 10 11.753 -13.574 16.644
73 HE21 GLN 10 1HE2 GLN 10 11.990 -13.065 18.723
74 HE22 GLN 10 2HE2 GLN 10 12.668 -11.591 19.316
75 H GLN 11 H GLN 11 11.204 -15.921 13.689
76 HA GLN 11 HA GLN 11 8.531 -14.813 14.015
77 HB2 GLN 11 2HB GLN 11 9.082 -14.582 11.601
78 HB3 GLN 11 3HB GLN 11 9.323 -16.322 11.519
79 HG2 GLN 11 2HG GLN 11 7.186 -16.459 10.950
80 HG3 GLN 11 3HG GLN 11 6.818 -16.084 12.633
81 HE21 GLN 11 1HE2 GLN 11 6.789 -14.972 9.389
82 HE22 GLN 11 2HE2 GLN 11 6.020 -13.453 9.681
83 HA PRO 12 HA PRO 12 9.141 -19.044 15.834
84 HB2 PRO 12 2HB PRO 12 8.064 -18.418 18.247
85 HB3 PRO 12 3HB PRO 12 9.771 -18.166 17.862
86 HG2 PRO 12 2HG PRO 12 7.517 -16.196 17.858
87 HG3 PRO 12 3HG PRO 12 9.169 -16.004 18.473
88 HD2 PRO 12 2HD PRO 12 8.384 -15.023 16.074
89 HD3 PRO 12 3HD PRO 12 10.036 -15.597 16.376
90 H TYR 13 H TYR 13 7.545 -19.862 14.432
91 HA TYR 13 HA TYR 13 4.751 -19.392 15.188
92 HB2 TYR 13 2HB TYR 13 5.927 -19.462 12.715
93 HB3 TYR 13 3HB TYR 13 5.280 -21.093 12.849
94 HD1 TYR 13 HD1 TYR 13 4.562 -18.048 11.524
95 HD2 TYR 13 HD2 TYR 13 2.768 -20.965 14.049
96 HE1 TYR 13 HE1 TYR 13 2.335 -17.209 10.901
97 HE2 TYR 13 HE2 TYR 13 0.537 -20.135 13.432
98 HH TYR 13 HH TYR 13 0.138 -17.511 11.075
Start of MODEL 40
1 H1 LEU 1 H LEU 1 0.253 -3.701 -2.238
2 HA LEU 1 HA LEU 1 2.565 -5.303 -1.449
3 HB2 LEU 1 2HB LEU 1 2.445 -4.286 -3.967
4 HB3 LEU 1 3HB LEU 1 3.240 -2.972 -3.103
5 HG LEU 1 HG LEU 1 4.322 -5.713 -2.735
6 HD11 LEU 1 1HD1 LEU 1 5.230 -5.961 -4.792
7 HD12 LEU 1 2HD1 LEU 1 5.324 -4.225 -5.084
8 HD13 LEU 1 3HD1 LEU 1 3.786 -5.067 -5.270
9 HD21 LEU 1 1HD2 LEU 1 5.548 -4.196 -1.535
10 HD22 LEU 1 2HD2 LEU 1 5.287 -2.896 -2.698
11 HD23 LEU 1 3HD2 LEU 1 6.437 -4.185 -3.058
12 H GLY 2 H GLY 2 2.676 -4.654 0.625
13 HA2 GLY 2 2HA GLY 2 2.622 -1.751 1.156
14 HA3 GLY 2 3HA GLY 2 2.189 -2.986 2.328
15 H GLN 3 H GLN 3 4.326 -4.750 1.977
16 HA GLN 3 HA GLN 3 6.440 -5.142 2.719
17 HB2 GLN 3 2HB GLN 3 6.662 -2.616 1.207
18 HB3 GLN 3 3HB GLN 3 7.972 -2.936 2.334
19 HG2 GLN 3 2HG GLN 3 8.477 -5.011 1.259
20 HG3 GLN 3 3HG GLN 3 7.053 -4.876 0.229
21 HE21 GLN 3 1HE2 GLN 3 8.573 -5.153 -1.521
22 HE22 GLN 3 2HE2 GLN 3 9.447 -3.787 -2.114
23 H GLN 4 H GLN 4 5.236 -5.008 4.840
24 HA GLN 4 HA GLN 4 6.817 -3.644 6.730
25 HB2 GLN 4 2HB GLN 4 5.449 -1.729 5.834
26 HB3 GLN 4 3HB GLN 4 4.021 -2.533 6.472
27 HG2 GLN 4 2HG GLN 4 4.729 -0.834 8.006
28 HG3 GLN 4 3HG GLN 4 5.000 -2.418 8.729
29 HE21 GLN 4 1HE2 GLN 4 6.762 -2.363 9.915
30 HE22 GLN 4 2HE2 GLN 4 8.259 -1.617 9.484
31 H GLN 5 H GLN 5 6.836 -5.803 7.493
32 HA GLN 5 HA GLN 5 5.095 -6.348 9.597
33 HB2 GLN 5 2HB GLN 5 3.925 -6.984 7.132
34 HB3 GLN 5 3HB GLN 5 4.453 -8.523 7.800
35 HG2 GLN 5 2HG GLN 5 3.007 -6.685 9.613
36 HG3 GLN 5 3HG GLN 5 2.079 -7.462 8.332
37 HE21 GLN 5 1HE2 GLN 5 1.937 -9.734 8.296
38 HE22 GLN 5 2HE2 GLN 5 2.217 -10.671 9.720
39 H ALA 6 H ALA 6 7.005 -6.851 10.629
40 HA ALA 6 HA ALA 6 8.659 -8.200 11.421
41 HB1 ALA 6 1HB ALA 6 7.584 -10.423 9.714
42 HB2 ALA 6 2HB ALA 6 8.404 -10.524 11.272
43 HB3 ALA 6 3HB ALA 6 6.761 -9.891 11.180
44 H PHE 7 H PHE 7 10.011 -6.757 10.057
45 HA PHE 7 HA PHE 7 10.912 -7.573 7.500
46 HB2 PHE 7 2HB PHE 7 11.296 -5.359 9.203
47 HB3 PHE 7 3HB PHE 7 12.898 -6.017 8.887
48 HD1 PHE 7 HD1 PHE 7 14.013 -5.031 7.155
49 HD2 PHE 7 HD2 PHE 7 9.778 -5.388 6.930
50 HE1 PHE 7 HE1 PHE 7 14.039 -3.916 4.962
51 HE2 PHE 7 HE2 PHE 7 9.797 -4.274 4.736
52 HZ PHE 7 HZ PHE 7 11.929 -3.537 3.749
53 HA PRO 8 HA PRO 8 14.807 -9.255 9.810
54 HB2 PRO 8 2HB PRO 8 14.676 -9.419 12.517
55 HB3 PRO 8 3HB PRO 8 15.262 -7.983 11.669
56 HG2 PRO 8 2HG PRO 8 12.565 -8.514 12.854
57 HG3 PRO 8 3HG PRO 8 13.548 -7.040 12.926
58 HD2 PRO 8 2HD PRO 8 11.473 -7.325 11.210
59 HD3 PRO 8 3HD PRO 8 12.912 -6.362 10.817
60 HA PRO 9 HA PRO 9 13.403 -13.392 10.306
61 HB2 PRO 9 2HB PRO 9 15.435 -14.556 11.679
62 HB3 PRO 9 3HB PRO 9 15.572 -14.076 9.984
63 HG2 PRO 9 2HG PRO 9 16.525 -12.652 12.438
64 HG3 PRO 9 3HG PRO 9 17.353 -12.885 10.888
65 HD2 PRO 9 2HD PRO 9 16.108 -10.571 11.541
66 HD3 PRO 9 3HD PRO 9 16.201 -11.166 9.871
67 H GLN 10 H GLN 10 11.666 -13.694 11.581
68 HA GLN 10 HA GLN 10 11.896 -14.699 14.175
69 HB2 GLN 10 2HB GLN 10 12.450 -12.522 14.958
70 HB3 GLN 10 3HB GLN 10 11.174 -11.778 14.003
71 HG2 GLN 10 2HG GLN 10 9.570 -12.256 15.513
72 HG3 GLN 10 3HG GLN 10 10.315 -13.783 15.985
73 HE21 GLN 10 1HE2 GLN 10 11.389 -10.400 16.007
74 HE22 GLN 10 2HE2 GLN 10 11.837 -10.376 17.676
75 H GLN 11 H GLN 11 10.473 -16.196 13.271
76 HA GLN 11 HA GLN 11 7.870 -15.315 12.346
77 HB2 GLN 11 2HB GLN 11 9.459 -17.772 12.208
78 HB3 GLN 11 3HB GLN 11 7.748 -18.059 12.495
79 HG2 GLN 11 2HG GLN 11 7.215 -17.567 10.398
80 HG3 GLN 11 3HG GLN 11 8.186 -16.096 10.412
81 HE21 GLN 11 1HE2 GLN 11 9.713 -16.075 8.943
82 HE22 GLN 11 2HE2 GLN 11 10.577 -17.445 8.341
83 HA PRO 12 HA PRO 12 5.586 -15.909 16.042
84 HB2 PRO 12 2HB PRO 12 3.300 -17.064 15.142
85 HB3 PRO 12 3HB PRO 12 3.697 -15.366 14.852
86 HG2 PRO 12 2HG PRO 12 4.008 -17.722 13.032
87 HG3 PRO 12 3HG PRO 12 3.408 -16.095 12.663
88 HD2 PRO 12 2HD PRO 12 5.931 -16.885 12.076
89 HD3 PRO 12 3HD PRO 12 5.531 -15.211 12.509
90 H TYR 13 H TYR 13 6.500 -17.362 17.404
91 HA TYR 13 HA TYR 13 6.579 -20.177 16.811
92 HB2 TYR 13 2HB TYR 13 8.070 -18.511 18.414
93 HB3 TYR 13 3HB TYR 13 7.099 -19.392 19.589
94 HD1 TYR 13 HD1 TYR 13 7.321 -21.826 19.811
95 HD2 TYR 13 HD2 TYR 13 9.780 -19.618 17.131
96 HE1 TYR 13 HE1 TYR 13 8.853 -23.743 19.646
97 HE2 TYR 13 HE2 TYR 13 11.318 -21.530 16.958
98 HH TYR 13 HH TYR 13 11.528 -23.911 19.018