NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
538871 |
2ld2   |
17644 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 1HT MET 1 -13.203 2.705 -2.338
2 H2 MET 1 2HT MET 1 -11.606 2.401 -1.857
3 H3 MET 1 3HT MET 1 -12.839 2.496 -0.697
4 HA MET 1 HA MET 1 -13.738 0.441 -1.261
5 HB2 MET 1 2HB MET 1 -13.388 1.363 -3.769
6 HB3 MET 1 1HB MET 1 -12.062 0.204 -3.725
7 HG2 MET 1 2HG MET 1 -13.711 -1.525 -2.913
8 HG3 MET 1 1HG MET 1 -14.998 -0.356 -3.214
9 HE1 MET 1 3HE MET 1 -13.743 1.099 -6.081
10 HE2 MET 1 1HE MET 1 -15.274 0.909 -5.219
11 HE3 MET 1 2HE MET 1 -15.098 0.291 -6.860
12 H ALA 2 H ALA 2 -12.691 -0.893 0.193
13 HA ALA 2 HA ALA 2 -9.745 -1.009 0.275
14 HB1 ALA 2 1HB ALA 2 -10.097 -1.947 2.375
15 HB2 ALA 2 2HB ALA 2 -11.541 -2.814 1.866
16 HB3 ALA 2 3HB ALA 2 -11.619 -1.083 2.183
17 H THR 3 H THR 3 -10.147 -1.891 -2.144
18 HA THR 3 HA THR 3 -10.648 -4.811 -2.194
19 HB THR 3 HB THR 3 -10.058 -4.115 -4.737
20 HG1 THR 3 1HG THR 3 -10.221 -2.018 -5.083
21 HG21 THR 3 3HG2 THR 3 -12.469 -3.582 -5.025
22 HG22 THR 3 1HG2 THR 3 -12.620 -3.403 -3.273
23 HG23 THR 3 2HG2 THR 3 -12.225 -4.973 -3.970
24 H LEU 4 H LEU 4 -8.114 -2.609 -3.464
25 HA LEU 4 HA LEU 4 -6.137 -4.811 -3.199
26 HB2 LEU 4 2HB LEU 4 -6.449 -2.287 -4.757
27 HB3 LEU 4 1HB LEU 4 -4.799 -2.771 -4.366
28 HG LEU 4 HG LEU 4 -6.860 -4.513 -5.770
29 HD11 LEU 4 1HD1 LEU 4 -5.867 -2.597 -7.104
30 HD12 LEU 4 2HD1 LEU 4 -5.520 -4.200 -7.754
31 HD13 LEU 4 3HD1 LEU 4 -4.285 -3.329 -6.844
32 HD21 LEU 4 3HD2 LEU 4 -4.419 -5.675 -6.164
33 HD22 LEU 4 1HD2 LEU 4 -5.534 -6.150 -4.882
34 HD23 LEU 4 2HD2 LEU 4 -4.214 -5.028 -4.536
35 H GLU 5 H GLU 5 -7.246 -3.234 -0.860
36 HA GLU 5 HA GLU 5 -5.561 -1.287 0.199
37 HB2 GLU 5 2HB GLU 5 -6.152 -2.517 2.429
38 HB3 GLU 5 1HB GLU 5 -7.454 -1.847 1.455
39 HG2 GLU 5 2HG GLU 5 -8.388 -3.912 1.558
40 HG3 GLU 5 1HG GLU 5 -7.145 -4.418 0.419
41 H LYS 6 H LYS 6 -4.894 -4.735 -0.120
42 HA LYS 6 HA LYS 6 -2.627 -4.851 1.641
43 HB2 LYS 6 2HB LYS 6 -4.169 -6.579 0.110
44 HB3 LYS 6 1HB LYS 6 -2.610 -6.612 -0.718
45 HG2 LYS 6 2HG LYS 6 -1.871 -6.767 1.938
46 HG3 LYS 6 1HG LYS 6 -3.361 -7.708 1.904
47 HD2 LYS 6 2HD LYS 6 -0.894 -8.130 0.194
48 HD3 LYS 6 1HD LYS 6 -1.533 -9.217 1.426
49 HE2 LYS 6 2HE LYS 6 -2.907 -8.492 -1.201
50 HE3 LYS 6 1HE LYS 6 -2.165 -10.053 -0.807
51 HZ1 LYS 6 3HZ LYS 6 -4.159 -10.579 0.043
52 HZ2 LYS 6 1HZ LYS 6 -4.703 -8.979 0.014
53 HZ3 LYS 6 2HZ LYS 6 -3.792 -9.535 1.325
54 H LEU 7 H LEU 7 -2.941 -4.008 -1.795
55 HA LEU 7 HA LEU 7 -0.362 -4.122 -2.762
56 HB2 LEU 7 2HB LEU 7 -2.745 -2.469 -3.093
57 HB3 LEU 7 1HB LEU 7 -1.275 -1.575 -3.455
58 HG LEU 7 HG LEU 7 -2.503 -3.028 -5.276
59 HD11 LEU 7 1HD1 LEU 7 -0.237 -3.299 -6.377
60 HD12 LEU 7 2HD1 LEU 7 0.491 -2.859 -4.836
61 HD13 LEU 7 3HD1 LEU 7 -0.508 -1.693 -5.701
62 HD21 LEU 7 3HD2 LEU 7 -0.463 -5.063 -4.526
63 HD22 LEU 7 1HD2 LEU 7 -1.978 -5.275 -5.396
64 HD23 LEU 7 2HD2 LEU 7 -1.988 -5.086 -3.642
65 H MET 8 H MET 8 -1.563 -1.909 -0.282
66 HA MET 8 HA MET 8 0.672 -0.084 -0.410
67 HB2 MET 8 2HB MET 8 -1.325 -0.841 1.758
68 HB3 MET 8 1HB MET 8 -0.190 0.499 1.923
69 HG2 MET 8 2HG MET 8 -1.120 1.352 -0.314
70 HG3 MET 8 1HG MET 8 -2.428 0.193 -0.082
71 HE1 MET 8 3HE MET 8 -4.494 3.144 0.859
72 HE2 MET 8 1HE MET 8 -4.627 1.415 0.520
73 HE3 MET 8 2HE MET 8 -3.655 2.450 -0.521
74 H LYS 9 H LYS 9 -0.023 -2.610 2.069
75 HA LYS 9 HA LYS 9 2.666 -2.580 3.098
76 HB2 LYS 9 2HB LYS 9 0.379 -3.533 4.053
77 HB3 LYS 9 1HB LYS 9 0.878 -5.002 3.209
78 HG2 LYS 9 2HG LYS 9 1.615 -4.897 5.630
79 HG3 LYS 9 1HG LYS 9 2.932 -5.114 4.479
80 HD2 LYS 9 2HD LYS 9 3.765 -2.995 4.821
81 HD3 LYS 9 1HD LYS 9 2.178 -2.317 5.188
82 HE2 LYS 9 2HE LYS 9 3.265 -2.321 7.292
83 HE3 LYS 9 1HE LYS 9 2.299 -3.804 7.336
84 HZ1 LYS 9 3HZ LYS 9 4.436 -4.508 7.917
85 HZ2 LYS 9 1HZ LYS 9 5.190 -3.517 6.770
86 HZ3 LYS 9 2HZ LYS 9 4.336 -4.892 6.267
87 H ALA 10 H ALA 10 1.009 -4.391 0.586
88 HA ALA 10 HA ALA 10 2.917 -6.391 -0.119
89 HB1 ALA 10 1HB ALA 10 0.819 -6.244 -1.317
90 HB2 ALA 10 2HB ALA 10 2.043 -5.750 -2.491
91 HB3 ALA 10 3HB ALA 10 1.077 -4.536 -1.660
92 H PHE 11 H PHE 11 2.380 -3.236 -1.517
93 HA PHE 11 HA PHE 11 4.691 -3.132 -3.087
94 HB2 PHE 11 2HB PHE 11 2.513 -1.751 -3.073
95 HB3 PHE 11 1HB PHE 11 3.381 -0.736 -1.913
96 HD1 PHE 11 1HD PHE 11 3.442 -2.193 -5.235
97 HD2 PHE 11 2HD PHE 11 5.330 0.432 -2.447
98 HE1 PHE 11 1HE PHE 11 4.810 -1.218 -7.112
99 HE2 PHE 11 2HE PHE 11 6.704 1.442 -4.293
100 HZ PHE 11 HZ PHE 11 6.442 0.599 -6.625
101 H GLU 12 H GLU 12 4.068 -1.540 0.033
102 HA GLU 12 HA GLU 12 6.602 -0.340 -0.042
103 HB2 GLU 12 2HB GLU 12 4.462 -0.806 1.934
104 HB3 GLU 12 1HB GLU 12 6.048 -0.798 2.700
105 HG2 GLU 12 2HG GLU 12 6.480 1.372 1.372
106 HG3 GLU 12 1HG GLU 12 4.739 1.398 1.090
107 H SER 13 H SER 13 5.468 -3.486 1.197
108 HA SER 13 HA SER 13 7.967 -4.493 2.211
109 HB2 SER 13 2HB SER 13 5.471 -5.739 1.027
110 HB3 SER 13 1HB SER 13 6.776 -6.708 1.707
111 HG SER 13 HG SER 13 4.825 -5.269 2.948
112 H LEU 14 H LEU 14 6.788 -3.845 -0.934
113 HA LEU 14 HA LEU 14 8.607 -5.613 -2.414
114 HB2 LEU 14 2HB LEU 14 6.233 -5.162 -3.050
115 HB3 LEU 14 1HB LEU 14 6.588 -3.452 -3.142
116 HG LEU 14 HG LEU 14 7.392 -5.646 -5.032
117 HD11 LEU 14 1HD1 LEU 14 6.487 -3.893 -6.592
118 HD12 LEU 14 2HD1 LEU 14 6.111 -2.900 -5.186
119 HD13 LEU 14 3HD1 LEU 14 5.312 -4.458 -5.404
120 HD21 LEU 14 3HD2 LEU 14 9.485 -4.466 -4.692
121 HD22 LEU 14 1HD2 LEU 14 8.670 -2.907 -4.713
122 HD23 LEU 14 2HD2 LEU 14 8.784 -3.863 -6.188
123 H LYS 15 H LYS 15 8.037 -2.218 -1.711
124 HA LYS 15 HA LYS 15 10.073 -0.899 -3.086
125 HB2 LYS 15 2HB LYS 15 8.774 0.520 -1.833
126 HB3 LYS 15 1HB LYS 15 8.356 -0.733 -0.713
127 HG2 LYS 15 2HG LYS 15 9.488 0.791 0.597
128 HG3 LYS 15 1HG LYS 15 10.712 -0.414 0.234
129 HD2 LYS 15 2HD LYS 15 11.583 1.014 -1.598
130 HD3 LYS 15 1HD LYS 15 10.350 2.223 -1.234
131 HE2 LYS 15 2HE LYS 15 12.288 1.289 0.902
132 HE3 LYS 15 1HE LYS 15 12.714 2.590 -0.226
133 HZ1 LYS 15 3HZ LYS 15 11.486 3.195 1.937
134 HZ2 LYS 15 1HZ LYS 15 10.101 2.618 1.144
135 HZ3 LYS 15 2HZ LYS 15 10.983 3.911 0.487
136 H SER 16 H SER 16 10.007 -2.576 -0.040
137 HA SER 16 HA SER 16 12.492 -2.503 1.105
138 HB2 SER 16 2HB SER 16 10.272 -4.321 0.862
139 HB3 SER 16 1HB SER 16 11.766 -5.253 0.872
140 HG SER 16 HG SER 16 12.338 -3.926 2.771
141 H PHE 17 H PHE 17 11.677 -4.863 -1.442
142 HA PHE 17 HA PHE 17 14.561 -5.201 -2.033
143 HB2 PHE 17 2HB PHE 17 13.700 -7.250 -3.188
144 HB3 PHE 17 1HB PHE 17 13.309 -7.195 -1.482
145 HD1 PHE 17 1HD PHE 17 11.832 -6.127 -4.771
146 HD2 PHE 17 2HD PHE 17 11.143 -7.756 -0.863
147 HE1 PHE 17 1HE PHE 17 9.450 -6.464 -5.333
148 HE2 PHE 17 2HE PHE 17 8.753 -8.093 -1.420
149 HZ PHE 17 HZ PHE 17 7.907 -7.476 -3.672
150 HN1 NH2 18 1H PHE 17 12.850 -2.856 -3.041
151 HN2 NH2 18 2H PHE 17 12.981 -2.932 -4.728
Start of MODEL 2
1 H1 MET 1 1HT MET 1 -7.678 5.339 -5.403
2 H2 MET 1 2HT MET 1 -8.222 3.855 -4.778
3 H3 MET 1 3HT MET 1 -6.563 4.185 -4.874
4 HA MET 1 HA MET 1 -6.808 5.979 -3.232
5 HB2 MET 1 2HB MET 1 -9.373 5.980 -4.131
6 HB3 MET 1 1HB MET 1 -9.580 5.033 -2.656
7 HG2 MET 1 2HG MET 1 -7.895 7.201 -1.963
8 HG3 MET 1 1HG MET 1 -9.205 7.882 -2.929
9 HE1 MET 1 3HE MET 1 -12.382 7.262 -1.074
10 HE2 MET 1 1HE MET 1 -11.704 6.679 -2.605
11 HE3 MET 1 2HE MET 1 -11.473 8.356 -2.118
12 H ALA 2 H ALA 2 -8.094 5.133 -0.810
13 HA ALA 2 HA ALA 2 -6.378 2.914 -0.044
14 HB1 ALA 2 1HB ALA 2 -8.654 3.749 1.680
15 HB2 ALA 2 2HB ALA 2 -7.548 5.038 1.197
16 HB3 ALA 2 3HB ALA 2 -6.935 3.631 2.067
17 H THR 3 H THR 3 -7.927 1.893 -2.103
18 HA THR 3 HA THR 3 -10.159 0.351 -0.879
19 HB THR 3 HB THR 3 -10.195 -0.295 -3.482
20 HG1 THR 3 1HG THR 3 -8.954 0.924 -4.660
21 HG21 THR 3 3HG2 THR 3 -11.256 2.264 -3.615
22 HG22 THR 3 1HG2 THR 3 -11.296 1.913 -1.886
23 HG23 THR 3 2HG2 THR 3 -12.103 0.837 -3.023
24 H LEU 4 H LEU 4 -7.335 -0.212 -2.993
25 HA LEU 4 HA LEU 4 -7.242 -3.064 -2.282
26 HB2 LEU 4 2HB LEU 4 -6.132 -1.214 -4.293
27 HB3 LEU 4 1HB LEU 4 -4.989 -2.446 -3.764
28 HG LEU 4 HG LEU 4 -7.714 -3.454 -4.278
29 HD11 LEU 4 1HD1 LEU 4 -6.539 -1.674 -6.173
30 HD12 LEU 4 2HD1 LEU 4 -7.987 -2.659 -6.361
31 HD13 LEU 4 3HD1 LEU 4 -6.415 -3.309 -6.825
32 HD21 LEU 4 3HD2 LEU 4 -5.904 -4.978 -3.791
33 HD22 LEU 4 1HD2 LEU 4 -4.896 -4.259 -5.051
34 HD23 LEU 4 2HD2 LEU 4 -6.330 -5.186 -5.489
35 H GLU 5 H GLU 5 -6.956 -1.911 0.063
36 HA GLU 5 HA GLU 5 -4.598 -0.775 1.006
37 HB2 GLU 5 2HB GLU 5 -5.120 -2.236 3.095
38 HB3 GLU 5 1HB GLU 5 -6.359 -1.114 2.539
39 HG2 GLU 5 2HG GLU 5 -7.793 -2.831 2.323
40 HG3 GLU 5 1HG GLU 5 -6.737 -3.551 1.111
41 H LYS 6 H LYS 6 -5.133 -4.225 0.263
42 HA LYS 6 HA LYS 6 -2.773 -5.343 1.275
43 HB2 LYS 6 2HB LYS 6 -4.709 -5.883 -0.897
44 HB3 LYS 6 1HB LYS 6 -3.158 -6.688 -1.066
45 HG2 LYS 6 2HG LYS 6 -4.491 -6.764 1.610
46 HG3 LYS 6 1HG LYS 6 -5.145 -7.782 0.329
47 HD2 LYS 6 2HD LYS 6 -3.259 -9.100 0.218
48 HD3 LYS 6 1HD LYS 6 -2.188 -7.803 0.744
49 HE2 LYS 6 2HE LYS 6 -2.442 -9.558 2.498
50 HE3 LYS 6 1HE LYS 6 -3.070 -7.994 3.052
51 HZ1 LYS 6 3HZ LYS 6 -5.293 -8.660 2.425
52 HZ2 LYS 6 1HZ LYS 6 -4.641 -9.845 3.446
53 HZ3 LYS 6 2HZ LYS 6 -4.725 -10.123 1.781
54 H LEU 7 H LEU 7 -3.237 -3.901 -1.955
55 HA LEU 7 HA LEU 7 -0.637 -4.271 -2.974
56 HB2 LEU 7 2HB LEU 7 -1.523 -3.066 -4.683
57 HB3 LEU 7 1HB LEU 7 -2.998 -3.032 -3.726
58 HG LEU 7 HG LEU 7 -1.874 -0.926 -2.604
59 HD11 LEU 7 1HD1 LEU 7 0.117 -1.598 -4.425
60 HD12 LEU 7 2HD1 LEU 7 -0.053 -0.037 -3.629
61 HD13 LEU 7 3HD1 LEU 7 -0.741 -0.289 -5.231
62 HD21 LEU 7 3HD2 LEU 7 -3.091 -0.996 -5.374
63 HD22 LEU 7 1HD2 LEU 7 -2.866 0.487 -4.448
64 HD23 LEU 7 2HD2 LEU 7 -3.938 -0.779 -3.842
65 H MET 8 H MET 8 -1.616 -2.259 -0.312
66 HA MET 8 HA MET 8 0.676 -0.423 -0.578
67 HB2 MET 8 2HB MET 8 -0.513 0.809 0.938
68 HB3 MET 8 1HB MET 8 -1.816 -0.335 0.646
69 HG2 MET 8 2HG MET 8 -0.954 -1.730 2.532
70 HG3 MET 8 1HG MET 8 0.258 -0.492 2.855
71 HE1 MET 8 3HE MET 8 0.006 1.633 3.411
72 HE2 MET 8 1HE MET 8 -1.255 2.309 4.450
73 HE3 MET 8 2HE MET 8 -1.382 2.451 2.697
74 H LYS 9 H LYS 9 -0.226 -3.168 1.575
75 HA LYS 9 HA LYS 9 2.298 -3.179 2.976
76 HB2 LYS 9 2HB LYS 9 -0.096 -4.341 3.363
77 HB3 LYS 9 1HB LYS 9 0.699 -5.668 2.515
78 HG2 LYS 9 2HG LYS 9 2.641 -5.361 4.160
79 HG3 LYS 9 1HG LYS 9 1.554 -4.338 5.096
80 HD2 LYS 9 2HD LYS 9 0.338 -6.894 4.301
81 HD3 LYS 9 1HD LYS 9 1.758 -7.094 5.322
82 HE2 LYS 9 2HE LYS 9 -0.653 -5.358 5.975
83 HE3 LYS 9 1HE LYS 9 -0.248 -6.911 6.732
84 HZ1 LYS 9 3HZ LYS 9 0.771 -5.442 8.158
85 HZ2 LYS 9 1HZ LYS 9 1.146 -4.329 6.944
86 HZ3 LYS 9 2HZ LYS 9 2.049 -5.760 7.091
87 H ALA 10 H ALA 10 0.993 -4.757 0.126
88 HA ALA 10 HA ALA 10 3.073 -6.509 -0.685
89 HB1 ALA 10 1HB ALA 10 0.831 -5.048 -1.824
90 HB2 ALA 10 2HB ALA 10 1.600 -6.502 -2.457
91 HB3 ALA 10 3HB ALA 10 2.213 -4.915 -2.909
92 H PHE 11 H PHE 11 2.429 -3.287 -1.762
93 HA PHE 11 HA PHE 11 4.806 -2.762 -3.080
94 HB2 PHE 11 2HB PHE 11 2.767 -1.454 -3.263
95 HB3 PHE 11 1HB PHE 11 2.928 -0.952 -1.584
96 HD1 PHE 11 1HD PHE 11 4.909 -1.166 -4.700
97 HD2 PHE 11 2HD PHE 11 4.125 0.882 -1.035
98 HE1 PHE 11 1HE PHE 11 6.532 0.625 -5.374
99 HE2 PHE 11 2HE PHE 11 5.728 2.705 -1.693
100 HZ PHE 11 HZ PHE 11 6.936 2.554 -3.866
101 H GLU 12 H GLU 12 3.864 -1.490 0.109
102 HA GLU 12 HA GLU 12 6.297 -0.282 0.653
103 HB2 GLU 12 2HB GLU 12 4.036 -1.411 2.212
104 HB3 GLU 12 1HB GLU 12 5.522 -1.199 3.131
105 HG2 GLU 12 2HG GLU 12 4.841 1.074 1.376
106 HG3 GLU 12 1HG GLU 12 3.703 0.790 2.693
107 H SER 13 H SER 13 5.320 -3.667 1.205
108 HA SER 13 HA SER 13 7.746 -4.659 2.382
109 HB2 SER 13 2HB SER 13 5.590 -5.883 0.612
110 HB3 SER 13 1HB SER 13 6.843 -6.842 1.402
111 HG SER 13 HG SER 13 4.770 -5.278 2.544
112 H LEU 14 H LEU 14 6.921 -3.675 -0.822
113 HA LEU 14 HA LEU 14 9.285 -4.939 -2.063
114 HB2 LEU 14 2HB LEU 14 7.482 -5.260 -3.491
115 HB3 LEU 14 1HB LEU 14 6.606 -3.902 -2.812
116 HG LEU 14 HG LEU 14 7.186 -3.637 -5.221
117 HD11 LEU 14 1HD1 LEU 14 8.721 -1.519 -3.837
118 HD12 LEU 14 2HD1 LEU 14 7.076 -1.810 -3.276
119 HD13 LEU 14 3HD1 LEU 14 7.369 -1.390 -4.959
120 HD21 LEU 14 3HD2 LEU 14 9.429 -4.731 -5.132
121 HD22 LEU 14 1HD2 LEU 14 10.038 -3.344 -4.241
122 HD23 LEU 14 2HD2 LEU 14 9.468 -3.142 -5.893
123 H LYS 15 H LYS 15 7.906 -1.838 -1.202
124 HA LYS 15 HA LYS 15 9.760 -0.022 -2.338
125 HB2 LYS 15 2HB LYS 15 8.059 1.081 -1.256
126 HB3 LYS 15 1HB LYS 15 7.699 -0.311 -0.276
127 HG2 LYS 15 2HG LYS 15 8.852 0.453 1.480
128 HG3 LYS 15 1HG LYS 15 10.180 1.048 0.484
129 HD2 LYS 15 2HD LYS 15 8.726 2.988 -0.190
130 HD3 LYS 15 1HD LYS 15 7.521 2.425 0.966
131 HE2 LYS 15 2HE LYS 15 10.358 3.316 1.610
132 HE3 LYS 15 1HE LYS 15 8.855 4.142 2.066
133 HZ1 LYS 15 3HZ LYS 15 8.265 1.816 3.060
134 HZ2 LYS 15 1HZ LYS 15 9.255 2.881 3.935
135 HZ3 LYS 15 2HZ LYS 15 9.954 1.599 3.069
136 H SER 16 H SER 16 9.548 -1.785 0.626
137 HA SER 16 HA SER 16 11.658 -1.321 2.239
138 HB2 SER 16 2HB SER 16 10.490 -3.845 1.065
139 HB3 SER 16 1HB SER 16 11.701 -3.936 2.339
140 HG SER 16 HG SER 16 9.077 -2.896 2.395
141 H PHE 17 H PHE 17 12.001 -3.471 -0.586
142 HA PHE 17 HA PHE 17 14.958 -3.131 -0.455
143 HB2 PHE 17 2HB PHE 17 14.874 -5.242 -1.788
144 HB3 PHE 17 1HB PHE 17 14.063 -5.382 -0.241
145 HD1 PHE 17 1HD PHE 17 13.303 -4.416 -3.784
146 HD2 PHE 17 2HD PHE 17 11.955 -6.358 -0.201
147 HE1 PHE 17 1HE PHE 17 11.227 -5.088 -4.932
148 HE2 PHE 17 2HE PHE 17 9.879 -7.043 -1.355
149 HZ PHE 17 HZ PHE 17 9.525 -6.438 -3.744
150 HN1 NH2 18 1H PHE 17 12.638 -1.476 -1.995
151 HN2 NH2 18 2H PHE 17 13.330 -1.288 -3.532
Start of MODEL 3
1 H1 MET 1 1HT MET 1 -3.705 -2.479 -9.708
2 H2 MET 1 2HT MET 1 -3.308 -4.051 -10.210
3 H3 MET 1 3HT MET 1 -2.921 -3.532 -8.641
4 HA MET 1 HA MET 1 -5.738 -3.342 -9.310
5 HB2 MET 1 2HB MET 1 -4.725 -5.473 -10.402
6 HB3 MET 1 1HB MET 1 -4.510 -6.043 -8.747
7 HG2 MET 1 2HG MET 1 -7.189 -4.955 -9.505
8 HG3 MET 1 1HG MET 1 -6.749 -6.547 -10.119
9 HE1 MET 1 3HE MET 1 -5.736 -8.192 -8.989
10 HE2 MET 1 1HE MET 1 -6.668 -8.934 -7.679
11 HE3 MET 1 2HE MET 1 -5.152 -8.102 -7.330
12 H ALA 2 H ALA 2 -6.842 -3.237 -7.320
13 HA ALA 2 HA ALA 2 -5.275 -3.908 -4.849
14 HB1 ALA 2 1HB ALA 2 -5.692 -1.768 -3.971
15 HB2 ALA 2 2HB ALA 2 -7.034 -1.474 -5.076
16 HB3 ALA 2 3HB ALA 2 -5.373 -1.429 -5.668
17 H THR 3 H THR 3 -6.462 -5.351 -3.665
18 HA THR 3 HA THR 3 -9.307 -5.771 -4.086
19 HB THR 3 HB THR 3 -8.801 -7.073 -1.819
20 HG1 THR 3 1HG THR 3 -6.762 -7.115 -1.248
21 HG21 THR 3 3HG2 THR 3 -7.550 -8.830 -3.231
22 HG22 THR 3 1HG2 THR 3 -7.703 -7.682 -4.567
23 HG23 THR 3 2HG2 THR 3 -9.143 -8.337 -3.792
24 H LEU 4 H LEU 4 -7.337 -4.431 -1.437
25 HA LEU 4 HA LEU 4 -9.458 -2.468 -0.809
26 HB2 LEU 4 2HB LEU 4 -9.472 -4.810 0.518
27 HB3 LEU 4 1HB LEU 4 -8.257 -3.976 1.482
28 HG LEU 4 HG LEU 4 -10.104 -2.015 1.319
29 HD11 LEU 4 1HD1 LEU 4 -11.616 -4.640 1.197
30 HD12 LEU 4 2HD1 LEU 4 -11.713 -3.314 0.036
31 HD13 LEU 4 3HD1 LEU 4 -12.339 -3.103 1.673
32 HD21 LEU 4 3HD2 LEU 4 -10.715 -2.592 3.564
33 HD22 LEU 4 1HD2 LEU 4 -9.051 -3.131 3.349
34 HD23 LEU 4 2HD2 LEU 4 -10.369 -4.297 3.281
35 H GLU 5 H GLU 5 -6.566 -3.587 0.989
36 HA GLU 5 HA GLU 5 -5.191 -1.012 0.311
37 HB2 GLU 5 2HB GLU 5 -4.770 -0.643 2.601
38 HB3 GLU 5 1HB GLU 5 -6.423 -1.252 2.592
39 HG2 GLU 5 2HG GLU 5 -4.092 -3.142 2.920
40 HG3 GLU 5 1HG GLU 5 -4.738 -2.258 4.297
41 H LYS 6 H LYS 6 -4.964 -4.434 1.020
42 HA LYS 6 HA LYS 6 -2.469 -5.162 1.591
43 HB2 LYS 6 2HB LYS 6 -4.439 -6.070 -0.459
44 HB3 LYS 6 1HB LYS 6 -2.867 -6.848 -0.441
45 HG2 LYS 6 2HG LYS 6 -4.434 -6.526 2.110
46 HG3 LYS 6 1HG LYS 6 -4.780 -7.862 1.015
47 HD2 LYS 6 2HD LYS 6 -1.990 -7.843 1.231
48 HD3 LYS 6 1HD LYS 6 -2.561 -7.522 2.867
49 HE2 LYS 6 2HE LYS 6 -3.439 -9.850 1.108
50 HE3 LYS 6 1HE LYS 6 -2.379 -9.962 2.524
51 HZ1 LYS 6 3HZ LYS 6 -4.480 -10.397 3.390
52 HZ2 LYS 6 1HZ LYS 6 -5.246 -9.246 2.422
53 HZ3 LYS 6 2HZ LYS 6 -4.279 -8.747 3.723
54 H LEU 7 H LEU 7 -3.226 -4.347 -1.819
55 HA LEU 7 HA LEU 7 -0.697 -4.646 -2.919
56 HB2 LEU 7 2HB LEU 7 -1.689 -3.648 -4.694
57 HB3 LEU 7 1HB LEU 7 -3.122 -3.557 -3.679
58 HG LEU 7 HG LEU 7 -2.090 -1.313 -2.822
59 HD11 LEU 7 1HD1 LEU 7 -0.227 -2.099 -4.924
60 HD12 LEU 7 2HD1 LEU 7 -0.089 -0.806 -3.737
61 HD13 LEU 7 3HD1 LEU 7 -0.942 -0.520 -5.253
62 HD21 LEU 7 3HD2 LEU 7 -2.921 -0.306 -5.187
63 HD22 LEU 7 1HD2 LEU 7 -4.028 -0.957 -3.981
64 HD23 LEU 7 2HD2 LEU 7 -3.529 -1.955 -5.341
65 H MET 8 H MET 8 -1.639 -2.242 -0.560
66 HA MET 8 HA MET 8 0.591 -0.424 -1.130
67 HB2 MET 8 2HB MET 8 -1.399 -0.741 1.143
68 HB3 MET 8 1HB MET 8 -0.227 0.573 1.058
69 HG2 MET 8 2HG MET 8 -2.374 -0.039 -0.996
70 HG3 MET 8 1HG MET 8 -2.379 1.309 0.138
71 HE1 MET 8 3HE MET 8 0.817 3.169 -0.704
72 HE2 MET 8 1HE MET 8 -0.205 2.463 0.554
73 HE3 MET 8 2HE MET 8 -0.831 3.746 -0.475
74 H LYS 9 H LYS 9 -0.172 -2.599 1.668
75 HA LYS 9 HA LYS 9 2.455 -2.379 2.800
76 HB2 LYS 9 2HB LYS 9 0.077 -3.358 3.622
77 HB3 LYS 9 1HB LYS 9 0.842 -4.867 3.134
78 HG2 LYS 9 2HG LYS 9 1.678 -4.793 5.273
79 HG3 LYS 9 1HG LYS 9 2.891 -3.765 4.512
80 HD2 LYS 9 2HD LYS 9 0.348 -2.741 5.813
81 HD3 LYS 9 1HD LYS 9 1.920 -2.770 6.605
82 HE2 LYS 9 2HE LYS 9 1.445 -1.342 3.970
83 HE3 LYS 9 1HE LYS 9 1.307 -0.534 5.540
84 HZ1 LYS 9 3HZ LYS 9 3.566 -1.338 6.068
85 HZ2 LYS 9 1HZ LYS 9 3.547 -0.298 4.723
86 HZ3 LYS 9 2HZ LYS 9 3.696 -1.977 4.500
87 H ALA 10 H ALA 10 0.987 -4.490 0.423
88 HA ALA 10 HA ALA 10 2.990 -6.488 -0.017
89 HB1 ALA 10 1HB ALA 10 2.139 -5.452 -2.523
90 HB2 ALA 10 2HB ALA 10 0.798 -5.133 -1.431
91 HB3 ALA 10 3HB ALA 10 1.377 -6.779 -1.659
92 H PHE 11 H PHE 11 2.373 -3.521 -1.700
93 HA PHE 11 HA PHE 11 4.742 -3.313 -3.151
94 HB2 PHE 11 2HB PHE 11 2.657 -2.037 -3.480
95 HB3 PHE 11 1HB PHE 11 2.991 -1.158 -1.986
96 HD1 PHE 11 2HD PHE 11 4.171 -1.900 -5.337
97 HD2 PHE 11 1HD PHE 11 4.771 0.372 -1.771
98 HE1 PHE 11 2HE PHE 11 5.753 -0.403 -6.592
99 HE2 PHE 11 1HE PHE 11 6.364 1.890 -2.994
100 HZ PHE 11 HZ PHE 11 6.853 1.494 -5.401
101 H GLU 12 H GLU 12 3.825 -1.570 -0.202
102 HA GLU 12 HA GLU 12 6.206 -0.216 0.139
103 HB2 GLU 12 2HB GLU 12 4.040 -1.284 1.902
104 HB3 GLU 12 1HB GLU 12 5.498 -0.751 2.728
105 HG2 GLU 12 2HG GLU 12 5.049 1.288 0.908
106 HG3 GLU 12 1HG GLU 12 3.417 0.833 1.404
107 H SER 13 H SER 13 5.353 -3.511 1.224
108 HA SER 13 HA SER 13 7.791 -4.271 2.497
109 HB2 SER 13 2HB SER 13 5.657 -5.777 0.938
110 HB3 SER 13 1HB SER 13 6.925 -6.599 1.848
111 HG SER 13 HG SER 13 4.701 -5.181 2.711
112 H LEU 14 H LEU 14 6.977 -3.809 -0.831
113 HA LEU 14 HA LEU 14 9.425 -5.137 -1.849
114 HB2 LEU 14 2HB LEU 14 7.666 -5.714 -3.256
115 HB3 LEU 14 1HB LEU 14 6.717 -4.323 -2.773
116 HG LEU 14 HG LEU 14 7.328 -4.351 -5.193
117 HD11 LEU 14 1HD1 LEU 14 7.370 -2.093 -5.240
118 HD12 LEU 14 2HD1 LEU 14 8.762 -1.989 -4.159
119 HD13 LEU 14 3HD1 LEU 14 7.149 -2.262 -3.498
120 HD21 LEU 14 3HD2 LEU 14 10.140 -3.867 -4.175
121 HD22 LEU 14 1HD2 LEU 14 9.618 -3.797 -5.855
122 HD23 LEU 14 2HD2 LEU 14 9.582 -5.334 -4.984
123 H LYS 15 H LYS 15 7.862 -2.013 -1.527
124 HA LYS 15 HA LYS 15 9.670 -0.259 -2.795
125 HB2 LYS 15 2HB LYS 15 7.970 0.949 -1.867
126 HB3 LYS 15 1HB LYS 15 7.494 -0.399 -0.891
127 HG2 LYS 15 2HG LYS 15 8.608 0.345 0.947
128 HG3 LYS 15 1HG LYS 15 9.869 1.127 -0.003
129 HD2 LYS 15 2HD LYS 15 8.277 2.909 -0.654
130 HD3 LYS 15 1HD LYS 15 7.033 2.149 0.337
131 HE2 LYS 15 2HE LYS 15 9.698 2.952 1.533
132 HE3 LYS 15 1HE LYS 15 8.354 4.102 1.410
133 HZ1 LYS 15 3HZ LYS 15 6.938 2.658 2.629
134 HZ2 LYS 15 1HZ LYS 15 8.382 2.773 3.500
135 HZ3 LYS 15 2HZ LYS 15 8.073 1.390 2.573
136 H SER 16 H SER 16 9.496 -1.705 0.338
137 HA SER 16 HA SER 16 11.499 -0.878 1.938
138 HB2 SER 16 2HB SER 16 10.421 -3.541 1.127
139 HB3 SER 16 1HB SER 16 11.788 -3.530 2.230
140 HG SER 16 HG SER 16 9.405 -3.345 2.998
141 H PHE 17 H PHE 17 12.133 -3.411 -0.476
142 HA PHE 17 HA PHE 17 15.040 -2.876 -0.284
143 HB2 PHE 17 2HB PHE 17 15.102 -5.064 -1.523
144 HB3 PHE 17 1HB PHE 17 14.263 -5.149 0.012
145 HD1 PHE 17 1HD PHE 17 13.574 -4.502 -3.616
146 HD2 PHE 17 2HD PHE 17 12.212 -6.154 0.098
147 HE1 PHE 17 1HE PHE 17 11.547 -5.385 -4.739
148 HE2 PHE 17 2HE PHE 17 10.195 -7.031 -1.008
149 HZ PHE 17 HZ PHE 17 9.871 -6.678 -3.451
150 HN1 NH2 18 1H PHE 17 15.925 -3.621 -2.829
151 HN2 NH2 18 2H PHE 17 15.368 -2.515 -3.987
Start of MODEL 4
1 H1 MET 1 1HT MET 1 -9.281 4.286 -3.779
2 H2 MET 1 2HT MET 1 -10.499 4.902 -2.775
3 H3 MET 1 3HT MET 1 -10.748 4.797 -4.453
4 HA MET 1 HA MET 1 -11.931 3.017 -3.290
5 HB2 MET 1 2HB MET 1 -9.750 2.733 -5.273
6 HB3 MET 1 1HB MET 1 -10.293 1.219 -4.552
7 HG2 MET 1 2HG MET 1 -12.698 2.179 -5.056
8 HG3 MET 1 1HG MET 1 -11.833 3.173 -6.228
9 HE1 MET 1 3HE MET 1 -13.626 1.664 -8.024
10 HE2 MET 1 1HE MET 1 -14.095 1.030 -6.442
11 HE3 MET 1 2HE MET 1 -13.720 -0.075 -7.760
12 H ALA 2 H ALA 2 -11.554 0.840 -2.240
13 HA ALA 2 HA ALA 2 -9.046 0.648 -0.637
14 HB1 ALA 2 1HB ALA 2 -11.882 0.986 0.348
15 HB2 ALA 2 2HB ALA 2 -10.442 1.886 0.826
16 HB3 ALA 2 3HB ALA 2 -10.658 0.218 1.356
17 H THR 3 H THR 3 -9.905 -0.976 -2.833
18 HA THR 3 HA THR 3 -11.004 -3.459 -1.625
19 HB THR 3 HB THR 3 -10.568 -3.958 -4.284
20 HG1 THR 3 1HG THR 3 -11.397 -1.771 -5.125
21 HG21 THR 3 3HG2 THR 3 -12.941 -2.295 -3.475
22 HG22 THR 3 1HG2 THR 3 -12.709 -3.901 -2.777
23 HG23 THR 3 2HG2 THR 3 -12.880 -3.713 -4.521
24 H LEU 4 H LEU 4 -8.212 -2.514 -3.690
25 HA LEU 4 HA LEU 4 -6.769 -4.959 -2.831
26 HB2 LEU 4 2HB LEU 4 -6.528 -2.852 -4.932
27 HB3 LEU 4 1HB LEU 4 -5.051 -3.680 -4.440
28 HG LEU 4 HG LEU 4 -7.525 -5.262 -5.103
29 HD11 LEU 4 1HD1 LEU 4 -6.901 -3.636 -6.981
30 HD12 LEU 4 2HD1 LEU 4 -6.942 -5.344 -7.409
31 HD13 LEU 4 3HD1 LEU 4 -5.396 -4.545 -7.128
32 HD21 LEU 4 3HD2 LEU 4 -5.353 -6.668 -5.963
33 HD22 LEU 4 1HD2 LEU 4 -5.995 -6.785 -4.326
34 HD23 LEU 4 2HD2 LEU 4 -4.623 -5.730 -4.661
35 H GLU 5 H GLU 5 -7.272 -2.230 -1.239
36 HA GLU 5 HA GLU 5 -5.078 -0.728 -0.661
37 HB2 GLU 5 2HB GLU 5 -5.910 -1.084 1.833
38 HB3 GLU 5 1HB GLU 5 -6.952 -0.306 0.648
39 HG2 GLU 5 2HG GLU 5 -8.488 -1.948 0.828
40 HG3 GLU 5 1HG GLU 5 -7.271 -3.192 0.542
41 H LYS 6 H LYS 6 -5.433 -4.132 0.329
42 HA LYS 6 HA LYS 6 -3.241 -4.352 2.113
43 HB2 LYS 6 2HB LYS 6 -5.116 -6.003 0.967
44 HB3 LYS 6 1HB LYS 6 -3.638 -6.566 0.194
45 HG2 LYS 6 2HG LYS 6 -3.529 -7.860 2.100
46 HG3 LYS 6 1HG LYS 6 -2.719 -6.420 2.715
47 HD2 LYS 6 2HD LYS 6 -4.286 -6.391 4.343
48 HD3 LYS 6 1HD LYS 6 -5.425 -5.865 3.100
49 HE2 LYS 6 2HE LYS 6 -4.817 -8.794 3.660
50 HE3 LYS 6 1HE LYS 6 -6.179 -7.920 4.390
51 HZ1 LYS 6 3HZ LYS 6 -6.921 -7.302 2.172
52 HZ2 LYS 6 1HZ LYS 6 -6.865 -8.979 2.331
53 HZ3 LYS 6 2HZ LYS 6 -5.644 -8.172 1.472
54 H LEU 7 H LEU 7 -3.274 -4.183 -1.401
55 HA LEU 7 HA LEU 7 -0.672 -5.141 -1.954
56 HB2 LEU 7 2HB LEU 7 -0.963 -4.062 -4.043
57 HB3 LEU 7 1HB LEU 7 -2.607 -4.388 -3.502
58 HG LEU 7 HG LEU 7 -2.388 -1.974 -2.428
59 HD11 LEU 7 1HD1 LEU 7 -0.924 -1.056 -4.723
60 HD12 LEU 7 2HD1 LEU 7 0.060 -2.229 -3.851
61 HD13 LEU 7 3HD1 LEU 7 -0.559 -0.810 -3.012
62 HD21 LEU 7 3HD2 LEU 7 -2.959 -1.126 -4.905
63 HD22 LEU 7 1HD2 LEU 7 -4.080 -2.122 -3.976
64 HD23 LEU 7 2HD2 LEU 7 -3.050 -2.862 -5.199
65 H MET 8 H MET 8 -1.593 -2.303 -0.171
66 HA MET 8 HA MET 8 0.711 -0.692 -0.761
67 HB2 MET 8 2HB MET 8 -0.066 0.626 1.128
68 HB3 MET 8 1HB MET 8 -1.472 0.073 0.225
69 HG2 MET 8 2HG MET 8 -2.193 -0.483 2.325
70 HG3 MET 8 1HG MET 8 -1.286 -1.955 1.988
71 HE1 MET 8 3HE MET 8 -0.391 -1.987 5.382
72 HE2 MET 8 1HE MET 8 -1.806 -2.016 4.321
73 HE3 MET 8 2HE MET 8 -1.551 -0.663 5.419
74 H LYS 9 H LYS 9 0.021 -3.073 1.856
75 HA LYS 9 HA LYS 9 2.592 -2.768 3.135
76 HB2 LYS 9 2HB LYS 9 0.570 -3.831 4.154
77 HB3 LYS 9 1HB LYS 9 0.664 -5.123 2.958
78 HG2 LYS 9 2HG LYS 9 1.927 -6.218 4.476
79 HG3 LYS 9 1HG LYS 9 3.217 -5.112 4.007
80 HD2 LYS 9 2HD LYS 9 3.014 -3.838 5.911
81 HD3 LYS 9 1HD LYS 9 1.276 -4.108 6.030
82 HE2 LYS 9 2HE LYS 9 2.542 -5.251 7.869
83 HE3 LYS 9 1HE LYS 9 1.668 -6.406 6.847
84 HZ1 LYS 9 3HZ LYS 9 4.194 -6.745 7.334
85 HZ2 LYS 9 1HZ LYS 9 4.402 -5.615 6.095
86 HZ3 LYS 9 2HZ LYS 9 3.579 -7.066 5.790
87 H ALA 10 H ALA 10 1.275 -4.866 0.660
88 HA ALA 10 HA ALA 10 3.422 -6.569 -0.022
89 HB1 ALA 10 1HB ALA 10 1.550 -6.861 -1.400
90 HB2 ALA 10 2HB ALA 10 2.429 -5.739 -2.441
91 HB3 ALA 10 3HB ALA 10 1.162 -5.142 -1.371
92 H PHE 11 H PHE 11 2.478 -3.670 -1.645
93 HA PHE 11 HA PHE 11 4.700 -3.171 -3.194
94 HB2 PHE 11 2HB PHE 11 2.517 -2.113 -3.364
95 HB3 PHE 11 1HB PHE 11 2.774 -1.321 -1.812
96 HD1 PHE 11 2HD PHE 11 4.164 -1.739 -5.181
97 HD2 PHE 11 1HD PHE 11 4.056 0.563 -1.569
98 HE1 PHE 11 2HE PHE 11 5.449 0.084 -6.330
99 HE2 PHE 11 1HE PHE 11 5.354 2.406 -2.694
100 HZ PHE 11 HZ PHE 11 6.044 2.150 -5.078
101 H GLU 12 H GLU 12 3.884 -1.548 -0.132
102 HA GLU 12 HA GLU 12 6.232 -0.066 -0.006
103 HB2 GLU 12 2HB GLU 12 4.381 -1.247 2.084
104 HB3 GLU 12 1HB GLU 12 5.759 -0.268 2.572
105 HG2 GLU 12 2HG GLU 12 4.830 1.395 0.735
106 HG3 GLU 12 1HG GLU 12 3.320 0.536 1.040
107 H SER 13 H SER 13 5.523 -3.359 1.125
108 HA SER 13 HA SER 13 8.236 -3.959 2.041
109 HB2 SER 13 2HB SER 13 5.763 -5.600 1.370
110 HB3 SER 13 1HB SER 13 7.231 -6.308 2.041
111 HG SER 13 HG SER 13 5.340 -4.598 3.206
112 H LEU 14 H LEU 14 7.406 -3.143 -0.945
113 HA LEU 14 HA LEU 14 9.082 -5.214 -2.280
114 HB2 LEU 14 2HB LEU 14 7.039 -5.716 -3.241
115 HB3 LEU 14 1HB LEU 14 6.344 -4.182 -2.757
116 HG LEU 14 HG LEU 14 6.520 -4.654 -5.257
117 HD11 LEU 14 1HD1 LEU 14 6.536 -2.348 -3.846
118 HD12 LEU 14 2HD1 LEU 14 6.441 -2.430 -5.603
119 HD13 LEU 14 3HD1 LEU 14 7.993 -2.147 -4.818
120 HD21 LEU 14 3HD2 LEU 14 9.422 -4.392 -4.568
121 HD22 LEU 14 1HD2 LEU 14 8.846 -3.788 -6.115
122 HD23 LEU 14 2HD2 LEU 14 8.639 -5.488 -5.697
123 H LYS 15 H LYS 15 7.782 -1.956 -2.354
124 HA LYS 15 HA LYS 15 9.566 -0.576 -3.978
125 HB2 LYS 15 2HB LYS 15 7.458 -0.127 -2.386
126 HB3 LYS 15 1HB LYS 15 8.713 0.360 -1.253
127 HG2 LYS 15 2HG LYS 15 9.285 1.442 -3.833
128 HG3 LYS 15 1HG LYS 15 7.607 1.797 -3.431
129 HD2 LYS 15 2HD LYS 15 8.173 3.252 -1.771
130 HD3 LYS 15 1HD LYS 15 9.508 2.247 -1.209
131 HE2 LYS 15 2HE LYS 15 9.673 3.819 -3.799
132 HE3 LYS 15 1HE LYS 15 10.168 4.504 -2.240
133 HZ1 LYS 15 3HZ LYS 15 11.121 1.812 -2.765
134 HZ2 LYS 15 1HZ LYS 15 11.934 3.145 -2.101
135 HZ3 LYS 15 2HZ LYS 15 11.764 3.003 -3.781
136 H SER 16 H SER 16 9.805 -1.921 -0.775
137 HA SER 16 HA SER 16 12.080 -0.922 0.419
138 HB2 SER 16 2HB SER 16 10.596 -3.513 0.241
139 HB3 SER 16 1HB SER 16 12.165 -3.560 1.042
140 HG SER 16 HG SER 16 9.953 -1.847 1.666
141 H PHE 17 H PHE 17 12.189 -4.023 -1.276
142 HA PHE 17 HA PHE 17 15.049 -3.818 -1.763
143 HB2 PHE 17 2HB PHE 17 14.617 -6.048 -2.831
144 HB3 PHE 17 1HB PHE 17 13.996 -5.933 -1.194
145 HD1 PHE 17 1HD PHE 17 12.893 -5.324 -4.735
146 HD2 PHE 17 2HD PHE 17 11.848 -6.624 -0.785
147 HE1 PHE 17 1HE PHE 17 10.623 -5.892 -5.524
148 HE2 PHE 17 2HE PHE 17 9.574 -7.197 -1.573
149 HZ PHE 17 HZ PHE 17 8.968 -6.864 -3.957
150 HN1 NH2 18 1H PHE 17 12.193 -2.949 -3.624
151 HN2 NH2 18 2H PHE 17 12.995 -2.688 -5.098
Start of MODEL 5
1 H1 MET 1 1HT MET 1 -11.347 4.533 0.780
2 H2 MET 1 2HT MET 1 -11.187 4.023 2.390
3 H3 MET 1 3HT MET 1 -12.546 4.917 1.919
4 HA MET 1 HA MET 1 -13.480 2.854 1.899
5 HB2 MET 1 2HB MET 1 -12.920 4.069 -0.495
6 HB3 MET 1 1HB MET 1 -12.310 2.440 -0.779
7 HG2 MET 1 2HG MET 1 -14.617 1.737 0.319
8 HG3 MET 1 1HG MET 1 -15.113 3.346 -0.203
9 HE1 MET 1 3HE MET 1 -14.494 4.292 -2.431
10 HE2 MET 1 1HE MET 1 -14.442 3.396 -3.956
11 HE3 MET 1 2HE MET 1 -13.014 3.480 -2.932
12 H ALA 2 H ALA 2 -10.023 2.697 1.065
13 HA ALA 2 HA ALA 2 -8.460 0.951 1.293
14 HB1 ALA 2 1HB ALA 2 -8.752 -0.374 3.267
15 HB2 ALA 2 2HB ALA 2 -10.507 -0.243 3.177
16 HB3 ALA 2 3HB ALA 2 -9.541 1.162 3.615
17 H THR 3 H THR 3 -9.691 0.595 -1.008
18 HA THR 3 HA THR 3 -11.128 -1.957 -1.186
19 HB THR 3 HB THR 3 -10.760 -1.236 -3.707
20 HG1 THR 3 1HG THR 3 -9.672 0.543 -3.906
21 HG21 THR 3 3HG2 THR 3 -12.508 0.769 -3.030
22 HG22 THR 3 1HG2 THR 3 -12.579 -0.252 -1.593
23 HG23 THR 3 2HG2 THR 3 -12.954 -0.932 -3.179
24 H LEU 4 H LEU 4 -8.064 -0.598 -2.454
25 HA LEU 4 HA LEU 4 -7.052 -3.384 -2.808
26 HB2 LEU 4 2HB LEU 4 -6.861 -0.854 -4.242
27 HB3 LEU 4 1HB LEU 4 -5.268 -1.553 -3.947
28 HG LEU 4 HG LEU 4 -6.262 -2.341 -6.101
29 HD11 LEU 4 1HD1 LEU 4 -5.540 -4.533 -5.842
30 HD12 LEU 4 2HD1 LEU 4 -6.289 -4.704 -4.261
31 HD13 LEU 4 3HD1 LEU 4 -4.805 -3.773 -4.433
32 HD21 LEU 4 3HD2 LEU 4 -8.637 -2.276 -5.426
33 HD22 LEU 4 1HD2 LEU 4 -8.351 -3.583 -4.277
34 HD23 LEU 4 2HD2 LEU 4 -8.196 -3.882 -6.008
35 H GLU 5 H GLU 5 -7.138 -1.744 -0.234
36 HA GLU 5 HA GLU 5 -4.775 -0.657 0.675
37 HB2 GLU 5 2HB GLU 5 -5.387 -2.013 2.843
38 HB3 GLU 5 1HB GLU 5 -6.516 -0.814 2.220
39 HG2 GLU 5 2HG GLU 5 -8.075 -2.454 2.187
40 HG3 GLU 5 1HG GLU 5 -7.185 -3.173 0.850
41 H LYS 6 H LYS 6 -5.313 -4.104 -0.001
42 HA LYS 6 HA LYS 6 -3.041 -5.224 1.255
43 HB2 LYS 6 2HB LYS 6 -5.088 -6.061 -0.388
44 HB3 LYS 6 1HB LYS 6 -3.687 -6.239 -1.441
45 HG2 LYS 6 2HG LYS 6 -3.870 -8.319 -0.298
46 HG3 LYS 6 1HG LYS 6 -2.559 -7.461 0.509
47 HD2 LYS 6 2HD LYS 6 -3.786 -8.128 2.359
48 HD3 LYS 6 1HD LYS 6 -4.544 -6.565 2.045
49 HE2 LYS 6 2HE LYS 6 -6.083 -8.047 0.431
50 HE3 LYS 6 1HE LYS 6 -5.619 -9.317 1.578
51 HZ1 LYS 6 3HZ LYS 6 -7.607 -7.984 2.263
52 HZ2 LYS 6 1HZ LYS 6 -6.597 -6.626 2.404
53 HZ3 LYS 6 2HZ LYS 6 -6.343 -7.991 3.398
54 H LEU 7 H LEU 7 -3.288 -3.473 -1.804
55 HA LEU 7 HA LEU 7 -0.703 -4.076 -2.830
56 HB2 LEU 7 2HB LEU 7 -1.291 -2.524 -4.429
57 HB3 LEU 7 1HB LEU 7 -2.877 -2.712 -3.689
58 HG LEU 7 HG LEU 7 -1.820 -0.790 -2.076
59 HD11 LEU 7 1HD1 LEU 7 -0.791 -0.110 -4.838
60 HD12 LEU 7 2HD1 LEU 7 0.238 -0.810 -3.589
61 HD13 LEU 7 3HD1 LEU 7 -0.507 0.770 -3.335
62 HD21 LEU 7 3HD2 LEU 7 -3.365 -0.615 -4.654
63 HD22 LEU 7 1HD2 LEU 7 -2.971 0.842 -3.747
64 HD23 LEU 7 2HD2 LEU 7 -3.950 -0.421 -3.001
65 H MET 8 H MET 8 -1.618 -2.193 -0.051
66 HA MET 8 HA MET 8 0.736 -0.460 -0.094
67 HB2 MET 8 2HB MET 8 -0.424 0.570 1.576
68 HB3 MET 8 1HB MET 8 -1.719 -0.574 1.239
69 HG2 MET 8 2HG MET 8 -0.900 -2.090 2.954
70 HG3 MET 8 1HG MET 8 0.523 -1.080 3.220
71 HE1 MET 8 3HE MET 8 -3.764 -0.524 4.612
72 HE2 MET 8 1HE MET 8 -2.807 -2.011 4.611
73 HE3 MET 8 2HE MET 8 -3.268 -1.248 3.087
74 H LYS 9 H LYS 9 -0.160 -3.452 1.700
75 HA LYS 9 HA LYS 9 2.402 -3.704 3.003
76 HB2 LYS 9 2HB LYS 9 -0.030 -4.890 3.245
77 HB3 LYS 9 1HB LYS 9 0.805 -6.112 2.287
78 HG2 LYS 9 2HG LYS 9 2.636 -5.308 4.280
79 HG3 LYS 9 1HG LYS 9 1.088 -5.511 5.101
80 HD2 LYS 9 2HD LYS 9 0.869 -7.767 4.044
81 HD3 LYS 9 1HD LYS 9 2.475 -7.565 3.345
82 HE2 LYS 9 2HE LYS 9 2.780 -8.833 5.377
83 HE3 LYS 9 1HE LYS 9 3.316 -7.183 5.753
84 HZ1 LYS 9 3HZ LYS 9 0.531 -8.139 6.169
85 HZ2 LYS 9 1HZ LYS 9 1.205 -6.676 6.702
86 HZ3 LYS 9 2HZ LYS 9 1.711 -8.142 7.387
87 H ALA 10 H ALA 10 0.993 -4.842 -0.007
88 HA ALA 10 HA ALA 10 3.011 -6.521 -1.099
89 HB1 ALA 10 1HB ALA 10 2.277 -5.095 -3.240
90 HB2 ALA 10 2HB ALA 10 1.085 -4.435 -2.129
91 HB3 ALA 10 3HB ALA 10 1.100 -6.161 -2.476
92 H PHE 11 H PHE 11 2.414 -3.143 -1.646
93 HA PHE 11 HA PHE 11 4.802 -2.514 -2.943
94 HB2 PHE 11 2HB PHE 11 2.669 -1.258 -2.916
95 HB3 PHE 11 1HB PHE 11 3.073 -0.741 -1.272
96 HD1 PHE 11 2HD PHE 11 4.504 -1.055 -4.649
97 HD2 PHE 11 1HD PHE 11 4.525 0.925 -0.868
98 HE1 PHE 11 2HE PHE 11 6.114 0.635 -5.573
99 HE2 PHE 11 1HE PHE 11 6.149 2.643 -1.755
100 HZ PHE 11 HZ PHE 11 6.940 2.478 -4.112
101 H GLU 12 H GLU 12 3.856 -1.697 0.365
102 HA GLU 12 HA GLU 12 6.258 -0.468 0.995
103 HB2 GLU 12 2HB GLU 12 4.179 -2.017 2.555
104 HB3 GLU 12 1HB GLU 12 5.608 -1.420 3.389
105 HG2 GLU 12 2HG GLU 12 4.116 0.473 1.618
106 HG3 GLU 12 1HG GLU 12 3.420 0.078 3.188
107 H SER 13 H SER 13 5.336 -3.892 0.963
108 HA SER 13 HA SER 13 7.683 -5.064 2.075
109 HB2 SER 13 2HB SER 13 5.629 -5.918 0.020
110 HB3 SER 13 1HB SER 13 6.930 -6.997 0.506
111 HG SER 13 HG SER 13 4.739 -6.013 1.953
112 H LEU 14 H LEU 14 7.057 -3.595 -1.063
113 HA LEU 14 HA LEU 14 9.529 -4.559 -2.309
114 HB2 LEU 14 2HB LEU 14 7.584 -2.364 -3.052
115 HB3 LEU 14 1HB LEU 14 8.850 -2.988 -4.102
116 HG LEU 14 HG LEU 14 7.051 -5.050 -3.008
117 HD11 LEU 14 1HD1 LEU 14 5.987 -2.602 -4.015
118 HD12 LEU 14 2HD1 LEU 14 5.111 -4.068 -3.565
119 HD13 LEU 14 3HD1 LEU 14 5.692 -3.854 -5.217
120 HD21 LEU 14 3HD2 LEU 14 7.751 -6.096 -4.895
121 HD22 LEU 14 1HD2 LEU 14 8.837 -4.730 -5.155
122 HD23 LEU 14 2HD2 LEU 14 7.239 -4.744 -5.903
123 H LYS 15 H LYS 15 8.248 -1.681 -0.816
124 HA LYS 15 HA LYS 15 10.311 0.187 -1.119
125 HB2 LYS 15 2HB LYS 15 8.567 1.058 0.090
126 HB3 LYS 15 1HB LYS 15 7.991 -0.527 0.492
127 HG2 LYS 15 2HG LYS 15 8.426 0.382 2.565
128 HG3 LYS 15 1HG LYS 15 9.890 -0.536 2.244
129 HD2 LYS 15 2HD LYS 15 11.158 1.331 2.294
130 HD3 LYS 15 1HD LYS 15 10.095 2.145 1.145
131 HE2 LYS 15 2HE LYS 15 9.372 1.852 4.078
132 HE3 LYS 15 1HE LYS 15 10.263 3.249 3.448
133 HZ1 LYS 15 3HZ LYS 15 7.963 3.774 3.331
134 HZ2 LYS 15 1HZ LYS 15 7.571 2.291 2.603
135 HZ3 LYS 15 2HZ LYS 15 8.471 3.460 1.746
136 H SER 16 H SER 16 9.761 -2.394 1.158
137 HA SER 16 HA SER 16 11.974 -2.362 2.857
138 HB2 SER 16 2HB SER 16 10.178 -4.393 1.637
139 HB3 SER 16 1HB SER 16 11.580 -5.009 2.486
140 HG SER 16 HG SER 16 9.436 -3.414 3.435
141 H PHE 17 H PHE 17 11.836 -4.477 -0.019
142 HA PHE 17 HA PHE 17 14.781 -4.507 -0.119
143 HB2 PHE 17 2HB PHE 17 14.325 -6.300 -1.828
144 HB3 PHE 17 1HB PHE 17 13.672 -6.630 -0.239
145 HD1 PHE 17 1HD PHE 17 12.647 -5.100 -3.539
146 HD2 PHE 17 2HD PHE 17 11.460 -7.317 -0.052
147 HE1 PHE 17 1HE PHE 17 10.388 -5.429 -4.513
148 HE2 PHE 17 2HE PHE 17 9.198 -7.631 -1.029
149 HZ PHE 17 HZ PHE 17 8.677 -6.716 -3.268
150 HN1 NH2 18 1H PHE 17 13.393 -2.012 -0.954
151 HN2 NH2 18 2H PHE 17 13.836 -1.770 -2.572
Start of MODEL 6
1 H1 MET 1 1HT MET 1 0.100 -3.654 -10.357
2 H2 MET 1 2HT MET 1 -1.233 -2.642 -10.612
3 H3 MET 1 3HT MET 1 -1.347 -4.293 -10.962
4 HA MET 1 HA MET 1 -1.286 -4.896 -8.680
5 HB2 MET 1 2HB MET 1 -0.063 -2.201 -8.596
6 HB3 MET 1 1HB MET 1 -1.143 -2.536 -7.240
7 HG2 MET 1 2HG MET 1 1.035 -3.279 -6.580
8 HG3 MET 1 1HG MET 1 0.111 -4.735 -6.941
9 HE1 MET 1 3HE MET 1 0.235 -6.107 -9.008
10 HE2 MET 1 1HE MET 1 1.489 -6.558 -7.845
11 HE3 MET 1 2HE MET 1 1.861 -6.503 -9.566
12 H ALA 2 H ALA 2 -3.498 -5.334 -8.752
13 HA ALA 2 HA ALA 2 -5.351 -3.075 -8.178
14 HB1 ALA 2 1HB ALA 2 -6.576 -4.703 -10.173
15 HB2 ALA 2 2HB ALA 2 -4.947 -4.331 -10.737
16 HB3 ALA 2 3HB ALA 2 -6.055 -3.025 -10.320
17 H THR 3 H THR 3 -4.631 -5.059 -6.337
18 HA THR 3 HA THR 3 -6.638 -7.213 -6.452
19 HB THR 3 HB THR 3 -5.475 -7.514 -4.062
20 HG1 THR 3 1HG THR 3 -3.563 -6.514 -3.911
21 HG21 THR 3 3HG2 THR 3 -5.296 -9.069 -5.953
22 HG22 THR 3 1HG2 THR 3 -3.718 -8.833 -5.200
23 HG23 THR 3 2HG2 THR 3 -4.102 -8.023 -6.714
24 H LEU 4 H LEU 4 -5.817 -5.146 -3.634
25 HA LEU 4 HA LEU 4 -8.653 -4.244 -3.477
26 HB2 LEU 4 2HB LEU 4 -7.642 -6.459 -2.103
27 HB3 LEU 4 1HB LEU 4 -7.598 -5.170 -0.904
28 HG LEU 4 HG LEU 4 -9.763 -6.194 -0.725
29 HD11 LEU 4 1HD1 LEU 4 -11.161 -4.335 -1.004
30 HD12 LEU 4 2HD1 LEU 4 -10.337 -3.811 -2.472
31 HD13 LEU 4 3HD1 LEU 4 -9.558 -3.608 -0.902
32 HD21 LEU 4 3HD2 LEU 4 -9.430 -6.934 -3.328
33 HD22 LEU 4 1HD2 LEU 4 -10.600 -5.629 -3.513
34 HD23 LEU 4 2HD2 LEU 4 -10.974 -7.009 -2.480
35 H GLU 5 H GLU 5 -6.108 -4.184 -0.975
36 HA GLU 5 HA GLU 5 -5.437 -1.376 -1.488
37 HB2 GLU 5 2HB GLU 5 -6.261 -0.937 0.982
38 HB3 GLU 5 1HB GLU 5 -7.411 -0.897 -0.346
39 HG2 GLU 5 2HG GLU 5 -8.621 -2.414 0.805
40 HG3 GLU 5 1HG GLU 5 -7.364 -3.589 0.425
41 H LYS 6 H LYS 6 -5.401 -3.891 1.072
42 HA LYS 6 HA LYS 6 -3.112 -3.167 2.496
43 HB2 LYS 6 2HB LYS 6 -4.855 -5.330 2.314
44 HB3 LYS 6 1HB LYS 6 -3.290 -6.038 1.927
45 HG2 LYS 6 2HG LYS 6 -3.677 -6.136 4.356
46 HG3 LYS 6 1HG LYS 6 -2.346 -5.039 3.999
47 HD2 LYS 6 2HD LYS 6 -3.439 -3.453 5.174
48 HD3 LYS 6 1HD LYS 6 -4.654 -3.428 3.894
49 HE2 LYS 6 2HE LYS 6 -4.713 -5.298 6.303
50 HE3 LYS 6 1HE LYS 6 -5.711 -3.847 6.113
51 HZ1 LYS 6 3HZ LYS 6 -6.448 -4.815 3.924
52 HZ2 LYS 6 1HZ LYS 6 -6.997 -5.648 5.306
53 HZ3 LYS 6 2HZ LYS 6 -5.706 -6.273 4.408
54 H LEU 7 H LEU 7 -3.308 -4.648 -0.672
55 HA LEU 7 HA LEU 7 -0.767 -5.690 -1.122
56 HB2 LEU 7 2HB LEU 7 -1.274 -5.342 -3.411
57 HB3 LEU 7 1HB LEU 7 -2.856 -5.387 -2.639
58 HG LEU 7 HG LEU 7 -2.211 -2.715 -2.428
59 HD11 LEU 7 1HD1 LEU 7 -1.326 -2.004 -4.577
60 HD12 LEU 7 2HD1 LEU 7 -1.282 -3.668 -5.155
61 HD13 LEU 7 3HD1 LEU 7 -0.196 -3.155 -3.862
62 HD21 LEU 7 3HD2 LEU 7 -3.660 -4.116 -4.692
63 HD22 LEU 7 1HD2 LEU 7 -3.814 -2.408 -4.289
64 HD23 LEU 7 2HD2 LEU 7 -4.368 -3.633 -3.151
65 H MET 8 H MET 8 -1.604 -2.347 -0.510
66 HA MET 8 HA MET 8 0.662 -1.050 -1.686
67 HB2 MET 8 2HB MET 8 -1.237 -0.477 0.602
68 HB3 MET 8 1HB MET 8 0.030 0.669 0.160
69 HG2 MET 8 2HG MET 8 -2.114 -0.389 -1.706
70 HG3 MET 8 1HG MET 8 -2.101 1.216 -0.972
71 HE1 MET 8 3HE MET 8 0.040 2.374 -0.767
72 HE2 MET 8 1HE MET 8 0.633 3.111 -2.262
73 HE3 MET 8 2HE MET 8 1.515 1.778 -1.522
74 H LYS 9 H LYS 9 0.089 -2.067 1.736
75 HA LYS 9 HA LYS 9 2.744 -1.516 2.651
76 HB2 LYS 9 2HB LYS 9 0.431 -2.217 3.815
77 HB3 LYS 9 1HB LYS 9 1.137 -3.830 3.699
78 HG2 LYS 9 2HG LYS 9 2.896 -1.657 4.744
79 HG3 LYS 9 1HG LYS 9 1.588 -2.196 5.798
80 HD2 LYS 9 2HD LYS 9 2.552 -4.602 4.968
81 HD3 LYS 9 1HD LYS 9 4.028 -3.638 4.922
82 HE2 LYS 9 2HE LYS 9 2.178 -3.778 7.330
83 HE3 LYS 9 1HE LYS 9 3.666 -4.728 7.156
84 HZ1 LYS 9 3HZ LYS 9 3.426 -1.765 7.163
85 HZ2 LYS 9 1HZ LYS 9 4.838 -2.586 6.723
86 HZ3 LYS 9 2HZ LYS 9 4.229 -2.734 8.298
87 H ALA 10 H ALA 10 1.233 -4.357 1.251
88 HA ALA 10 HA ALA 10 3.325 -6.284 1.316
89 HB1 ALA 10 1HB ALA 10 2.266 -6.574 -1.172
90 HB2 ALA 10 2HB ALA 10 1.065 -5.477 -0.495
91 HB3 ALA 10 3HB ALA 10 1.354 -7.041 0.265
92 H PHE 11 H PHE 11 2.363 -4.207 -1.285
93 HA PHE 11 HA PHE 11 4.544 -4.545 -2.976
94 HB2 PHE 11 2HB PHE 11 2.340 -3.586 -3.516
95 HB3 PHE 11 1HB PHE 11 2.761 -2.157 -2.566
96 HD1 PHE 11 1HD PHE 11 3.760 -4.253 -5.377
97 HD2 PHE 11 2HD PHE 11 4.301 -0.554 -3.295
98 HE1 PHE 11 1HE PHE 11 5.094 -3.382 -7.320
99 HE2 PHE 11 2HE PHE 11 5.632 0.352 -5.226
100 HZ PHE 11 HZ PHE 11 6.028 -1.074 -7.232
101 H GLU 12 H GLU 12 3.828 -1.710 -0.956
102 HA GLU 12 HA GLU 12 6.162 -0.357 -1.555
103 HB2 GLU 12 2HB GLU 12 4.331 -0.491 0.838
104 HB3 GLU 12 1HB GLU 12 5.798 0.468 0.966
105 HG2 GLU 12 2HG GLU 12 4.279 0.899 -1.526
106 HG3 GLU 12 1HG GLU 12 3.445 1.409 -0.060
107 H SER 13 H SER 13 5.574 -2.878 0.914
108 HA SER 13 HA SER 13 8.159 -2.992 2.143
109 HB2 SER 13 2HB SER 13 5.974 -5.017 1.538
110 HB3 SER 13 1HB SER 13 7.387 -5.438 2.504
111 HG SER 13 HG SER 13 5.222 -3.776 3.062
112 H LEU 14 H LEU 14 7.024 -3.972 -0.981
113 HA LEU 14 HA LEU 14 9.453 -5.536 -1.629
114 HB2 LEU 14 2HB LEU 14 7.643 -6.714 -2.479
115 HB3 LEU 14 1HB LEU 14 6.621 -5.291 -2.478
116 HG LEU 14 HG LEU 14 6.987 -6.286 -4.735
117 HD11 LEU 14 1HD1 LEU 14 6.750 -3.713 -4.047
118 HD12 LEU 14 2HD1 LEU 14 6.855 -4.249 -5.720
119 HD13 LEU 14 3HD1 LEU 14 8.288 -3.627 -4.900
120 HD21 LEU 14 3HD2 LEU 14 9.332 -6.994 -4.407
121 HD22 LEU 14 1HD2 LEU 14 9.831 -5.305 -4.388
122 HD23 LEU 14 2HD2 LEU 14 9.136 -5.999 -5.848
123 H LYS 15 H LYS 15 7.715 -2.620 -2.487
124 HA LYS 15 HA LYS 15 9.305 -1.576 -4.586
125 HB2 LYS 15 2HB LYS 15 7.546 -0.189 -4.147
126 HB3 LYS 15 1HB LYS 15 7.292 -0.922 -2.602
127 HG2 LYS 15 2HG LYS 15 7.691 1.319 -2.096
128 HG3 LYS 15 1HG LYS 15 9.231 0.533 -1.788
129 HD2 LYS 15 2HD LYS 15 10.156 2.060 -3.171
130 HD3 LYS 15 1HD LYS 15 9.376 1.194 -4.490
131 HE2 LYS 15 2HE LYS 15 8.860 3.641 -4.513
132 HE3 LYS 15 1HE LYS 15 7.395 2.660 -4.288
133 HZ1 LYS 15 3HZ LYS 15 8.944 3.469 -1.917
134 HZ2 LYS 15 1HZ LYS 15 7.274 3.160 -2.058
135 HZ3 LYS 15 2HZ LYS 15 7.930 4.613 -2.651
136 H SER 16 H SER 16 9.467 -1.549 -1.143
137 HA SER 16 HA SER 16 11.508 -0.003 -0.251
138 HB2 SER 16 2HB SER 16 10.553 -2.785 0.265
139 HB3 SER 16 1HB SER 16 11.987 -2.249 1.137
140 HG SER 16 HG SER 16 9.372 -1.128 1.110
141 H PHE 17 H PHE 17 12.138 -3.325 -1.343
142 HA PHE 17 HA PHE 17 15.005 -2.690 -1.644
143 HB2 PHE 17 2HB PHE 17 15.106 -5.194 -1.903
144 HB3 PHE 17 1HB PHE 17 14.371 -4.670 -0.399
145 HD1 PHE 17 2HD PHE 17 13.346 -5.448 -3.934
146 HD2 PHE 17 1HD PHE 17 12.442 -5.707 0.248
147 HE1 PHE 17 2HE PHE 17 11.306 -6.751 -4.449
148 HE2 PHE 17 1HE PHE 17 10.409 -6.997 -0.258
149 HZ PHE 17 HZ PHE 17 9.848 -7.561 -2.614
150 HN1 NH2 18 1H PHE 17 15.872 -4.258 -3.702
151 HN2 NH2 18 2H PHE 17 15.154 -3.820 -5.176
Start of MODEL 7
1 H1 MET 1 1HT MET 1 -14.403 -5.304 -1.439
2 H2 MET 1 2HT MET 1 -13.410 -3.935 -1.295
3 H3 MET 1 3HT MET 1 -13.673 -4.948 0.040
4 HA MET 1 HA MET 1 -12.466 -6.745 -1.010
5 HB2 MET 1 2HB MET 1 -12.860 -4.862 -3.279
6 HB3 MET 1 1HB MET 1 -11.311 -5.702 -3.243
7 HG2 MET 1 2HG MET 1 -12.416 -7.864 -3.193
8 HG3 MET 1 1HG MET 1 -13.996 -7.097 -3.016
9 HE1 MET 1 3HE MET 1 -11.247 -6.577 -6.674
10 HE2 MET 1 1HE MET 1 -10.803 -7.349 -5.149
11 HE3 MET 1 2HE MET 1 -11.120 -5.618 -5.203
12 H ALA 2 H ALA 2 -10.436 -6.803 -0.066
13 HA ALA 2 HA ALA 2 -9.166 -4.273 0.742
14 HB1 ALA 2 1HB ALA 2 -8.411 -7.195 1.095
15 HB2 ALA 2 2HB ALA 2 -9.314 -6.221 2.253
16 HB3 ALA 2 3HB ALA 2 -7.626 -5.847 1.912
17 H THR 3 H THR 3 -8.759 -3.627 -1.585
18 HA THR 3 HA THR 3 -6.521 -5.130 -2.866
19 HB THR 3 HB THR 3 -8.034 -2.865 -4.137
20 HG1 THR 3 1HG THR 3 -9.835 -3.911 -3.959
21 HG21 THR 3 3HG2 THR 3 -7.267 -5.541 -5.293
22 HG22 THR 3 1HG2 THR 3 -6.099 -4.222 -5.173
23 HG23 THR 3 2HG2 THR 3 -7.562 -4.021 -6.140
24 H LEU 4 H LEU 4 -7.512 -1.697 -2.366
25 HA LEU 4 HA LEU 4 -4.989 -0.523 -2.918
26 HB2 LEU 4 2HB LEU 4 -7.433 0.183 -1.329
27 HB3 LEU 4 1HB LEU 4 -6.007 1.204 -1.161
28 HG LEU 4 HG LEU 4 -7.371 0.515 -3.790
29 HD11 LEU 4 1HD1 LEU 4 -7.168 3.304 -2.786
30 HD12 LEU 4 2HD1 LEU 4 -8.283 2.251 -1.916
31 HD13 LEU 4 3HD1 LEU 4 -8.488 2.506 -3.645
32 HD21 LEU 4 3HD2 LEU 4 -5.368 1.093 -4.679
33 HD22 LEU 4 1HD2 LEU 4 -4.747 1.609 -3.117
34 HD23 LEU 4 2HD2 LEU 4 -5.685 2.731 -4.103
35 H GLU 5 H GLU 5 -6.383 -1.470 0.220
36 HA GLU 5 HA GLU 5 -4.115 -0.830 1.820
37 HB2 GLU 5 2HB GLU 5 -5.220 -2.525 3.388
38 HB3 GLU 5 1HB GLU 5 -6.238 -1.197 2.852
39 HG2 GLU 5 2HG GLU 5 -6.331 -3.555 1.079
40 HG3 GLU 5 1HG GLU 5 -6.932 -3.857 2.705
41 H LYS 6 H LYS 6 -4.897 -3.792 -0.015
42 HA LYS 6 HA LYS 6 -2.652 -5.273 1.109
43 HB2 LYS 6 2HB LYS 6 -4.982 -5.966 -0.072
44 HB3 LYS 6 1HB LYS 6 -3.915 -6.053 -1.472
45 HG2 LYS 6 2HG LYS 6 -3.498 -8.168 -0.712
46 HG3 LYS 6 1HG LYS 6 -2.382 -7.335 0.371
47 HD2 LYS 6 2HD LYS 6 -3.915 -7.369 2.173
48 HD3 LYS 6 1HD LYS 6 -5.277 -7.742 1.119
49 HE2 LYS 6 2HE LYS 6 -4.687 -9.795 2.266
50 HE3 LYS 6 1HE LYS 6 -4.121 -9.966 0.595
51 HZ1 LYS 6 3HZ LYS 6 -2.361 -10.548 2.157
52 HZ2 LYS 6 1HZ LYS 6 -2.480 -9.032 2.896
53 HZ3 LYS 6 2HZ LYS 6 -1.938 -9.150 1.293
54 H LEU 7 H LEU 7 -3.322 -3.734 -2.059
55 HA LEU 7 HA LEU 7 -0.804 -4.321 -3.247
56 HB2 LEU 7 2HB LEU 7 -1.663 -3.034 -4.931
57 HB3 LEU 7 1HB LEU 7 -3.123 -3.008 -3.951
58 HG LEU 7 HG LEU 7 -1.956 -0.934 -2.798
59 HD11 LEU 7 1HD1 LEU 7 -0.224 0.073 -3.899
60 HD12 LEU 7 2HD1 LEU 7 -0.839 -0.386 -5.489
61 HD13 LEU 7 3HD1 LEU 7 0.060 -1.553 -4.518
62 HD21 LEU 7 3HD2 LEU 7 -3.233 0.479 -4.188
63 HD22 LEU 7 1HD2 LEU 7 -4.025 -1.086 -4.365
64 HD23 LEU 7 2HD2 LEU 7 -2.931 -0.508 -5.618
65 H MET 8 H MET 8 -1.648 -2.197 -0.633
66 HA MET 8 HA MET 8 0.723 -0.468 -0.891
67 HB2 MET 8 2HB MET 8 -1.638 -0.796 0.934
68 HB3 MET 8 1HB MET 8 -0.212 0.014 1.583
69 HG2 MET 8 2HG MET 8 -1.728 0.785 -0.926
70 HG3 MET 8 1HG MET 8 -1.698 1.682 0.595
71 HE1 MET 8 3HE MET 8 2.038 2.680 0.957
72 HE2 MET 8 1HE MET 8 1.608 0.987 1.241
73 HE3 MET 8 2HE MET 8 0.526 2.272 1.771
74 H LYS 9 H LYS 9 -0.358 -2.969 1.482
75 HA LYS 9 HA LYS 9 2.144 -3.132 2.862
76 HB2 LYS 9 2HB LYS 9 -0.330 -4.160 3.205
77 HB3 LYS 9 1HB LYS 9 0.438 -5.555 2.460
78 HG2 LYS 9 2HG LYS 9 1.007 -6.012 4.635
79 HG3 LYS 9 1HG LYS 9 2.352 -4.942 4.247
80 HD2 LYS 9 2HD LYS 9 0.512 -3.102 4.978
81 HD3 LYS 9 1HD LYS 9 -0.016 -4.455 5.977
82 HE2 LYS 9 2HE LYS 9 1.960 -4.489 7.220
83 HE3 LYS 9 1HE LYS 9 2.920 -3.786 5.904
84 HZ1 LYS 9 3HZ LYS 9 2.602 -1.830 6.907
85 HZ2 LYS 9 1HZ LYS 9 1.441 -2.455 7.964
86 HZ3 LYS 9 2HZ LYS 9 0.982 -1.910 6.422
87 H ALA 10 H ALA 10 0.842 -4.798 0.040
88 HA ALA 10 HA ALA 10 2.880 -6.672 -0.593
89 HB1 ALA 10 1HB ALA 10 1.148 -4.727 -2.138
90 HB2 ALA 10 2HB ALA 10 0.956 -6.476 -2.027
91 HB3 ALA 10 3HB ALA 10 2.267 -5.785 -2.990
92 H PHE 11 H PHE 11 2.401 -3.420 -1.673
93 HA PHE 11 HA PHE 11 4.855 -3.083 -2.992
94 HB2 PHE 11 2HB PHE 11 2.750 -1.873 -3.366
95 HB3 PHE 11 1HB PHE 11 2.988 -1.065 -1.814
96 HD1 PHE 11 2HD PHE 11 4.525 -1.782 -5.051
97 HD2 PHE 11 1HD PHE 11 4.519 0.587 -1.498
98 HE1 PHE 11 2HE PHE 11 6.146 -0.188 -6.137
99 HE2 PHE 11 1HE PHE 11 6.148 2.205 -2.541
100 HZ PHE 11 HZ PHE 11 6.959 1.797 -4.868
101 H GLU 12 H GLU 12 3.716 -1.618 0.007
102 HA GLU 12 HA GLU 12 6.073 -0.271 0.546
103 HB2 GLU 12 2HB GLU 12 3.759 -1.331 2.074
104 HB3 GLU 12 1HB GLU 12 5.182 -1.025 3.061
105 HG2 GLU 12 2HG GLU 12 5.109 1.239 1.522
106 HG3 GLU 12 1HG GLU 12 3.391 0.881 1.696
107 H SER 13 H SER 13 5.193 -3.641 1.002
108 HA SER 13 HA SER 13 7.425 -4.559 2.509
109 HB2 SER 13 2HB SER 13 5.488 -5.721 0.511
110 HB3 SER 13 1HB SER 13 6.788 -6.718 1.143
111 HG SER 13 HG SER 13 4.527 -5.700 2.371
112 H LEU 14 H LEU 14 6.998 -3.884 -0.939
113 HA LEU 14 HA LEU 14 9.581 -4.901 -1.828
114 HB2 LEU 14 2HB LEU 14 7.660 -2.842 -2.956
115 HB3 LEU 14 1HB LEU 14 9.006 -3.545 -3.850
116 HG LEU 14 HG LEU 14 7.195 -5.515 -2.614
117 HD11 LEU 14 1HD1 LEU 14 6.138 -3.236 -3.963
118 HD12 LEU 14 2HD1 LEU 14 5.275 -4.648 -3.347
119 HD13 LEU 14 3HD1 LEU 14 5.905 -4.649 -4.990
120 HD21 LEU 14 3HD2 LEU 14 9.131 -5.606 -4.521
121 HD22 LEU 14 1HD2 LEU 14 7.717 -5.377 -5.551
122 HD23 LEU 14 2HD2 LEU 14 7.804 -6.760 -4.464
123 H LYS 15 H LYS 15 8.203 -1.858 -0.846
124 HA LYS 15 HA LYS 15 10.351 -0.076 -1.228
125 HB2 LYS 15 2HB LYS 15 8.461 0.972 -0.458
126 HB3 LYS 15 1HB LYS 15 7.827 -0.517 0.179
127 HG2 LYS 15 2HG LYS 15 8.866 -0.231 2.246
128 HG3 LYS 15 1HG LYS 15 9.979 0.991 1.623
129 HD2 LYS 15 2HD LYS 15 7.978 2.479 1.187
130 HD3 LYS 15 1HD LYS 15 6.985 1.286 2.028
131 HE2 LYS 15 2HE LYS 15 9.430 2.489 3.345
132 HE3 LYS 15 1HE LYS 15 7.846 3.278 3.434
133 HZ1 LYS 15 3HZ LYS 15 8.400 0.458 4.187
134 HZ2 LYS 15 1HZ LYS 15 6.880 1.217 4.259
135 HZ3 LYS 15 2HZ LYS 15 8.152 1.730 5.279
136 H SER 16 H SER 16 9.415 -2.280 1.293
137 HA SER 16 HA SER 16 11.556 -1.972 3.158
138 HB2 SER 16 2HB SER 16 9.295 -3.773 2.598
139 HB3 SER 16 1HB SER 16 10.626 -4.544 3.454
140 HG SER 16 HG SER 16 9.464 -3.623 5.047
141 H PHE 17 H PHE 17 11.058 -4.988 1.311
142 HA PHE 17 HA PHE 17 13.930 -5.566 1.462
143 HB2 PHE 17 2HB PHE 17 13.167 -7.699 0.361
144 HB3 PHE 17 1HB PHE 17 12.381 -7.341 1.883
145 HD1 PHE 17 2HD PHE 17 11.883 -6.589 -1.788
146 HD2 PHE 17 1HD PHE 17 10.096 -7.691 1.967
147 HE1 PHE 17 2HE PHE 17 9.659 -6.733 -2.883
148 HE2 PHE 17 1HE PHE 17 7.886 -7.860 0.859
149 HZ PHE 17 HZ PHE 17 7.672 -7.390 -1.565
150 HN1 NH2 18 1H PHE 17 12.456 -3.560 -0.680
151 HN2 NH2 18 2H PHE 17 13.342 -3.925 -2.080
Start of MODEL 8
1 H1 MET 1 1HT MET 1 -0.601 7.185 -0.241
2 H2 MET 1 2HT MET 1 -1.203 7.839 1.199
3 H3 MET 1 3HT MET 1 -1.906 8.268 -0.285
4 HA MET 1 HA MET 1 -2.053 5.650 1.115
5 HB2 MET 1 2HB MET 1 -3.914 7.884 0.303
6 HB3 MET 1 1HB MET 1 -4.541 6.258 0.583
7 HG2 MET 1 2HG MET 1 -4.690 6.965 2.746
8 HG3 MET 1 1HG MET 1 -2.972 6.567 2.789
9 HE1 MET 1 3HE MET 1 -3.210 9.162 5.036
10 HE2 MET 1 1HE MET 1 -1.600 9.152 4.303
11 HE3 MET 1 2HE MET 1 -2.496 7.647 4.500
12 H ALA 2 H ALA 2 -2.995 3.913 -0.102
13 HA ALA 2 HA ALA 2 -2.454 4.073 -3.021
14 HB1 ALA 2 1HB ALA 2 -2.258 1.739 -2.877
15 HB2 ALA 2 2HB ALA 2 -3.355 1.639 -1.498
16 HB3 ALA 2 3HB ALA 2 -1.714 2.250 -1.278
17 H THR 3 H THR 3 -4.291 2.188 -3.984
18 HA THR 3 HA THR 3 -6.753 3.755 -4.017
19 HB THR 3 HB THR 3 -7.374 1.789 -5.572
20 HG1 THR 3 1HG THR 3 -6.059 0.174 -5.570
21 HG21 THR 3 3HG2 THR 3 -4.915 2.743 -6.772
22 HG22 THR 3 1HG2 THR 3 -5.740 4.051 -5.933
23 HG23 THR 3 2HG2 THR 3 -6.584 3.142 -7.188
24 H LEU 4 H LEU 4 -5.967 0.339 -3.192
25 HA LEU 4 HA LEU 4 -8.381 0.350 -1.455
26 HB2 LEU 4 2HB LEU 4 -7.984 -1.248 -3.480
27 HB3 LEU 4 1HB LEU 4 -6.874 -2.088 -2.401
28 HG LEU 4 HG LEU 4 -8.698 -2.363 -0.744
29 HD11 LEU 4 1HD1 LEU 4 -10.188 -0.598 -1.014
30 HD12 LEU 4 2HD1 LEU 4 -11.063 -1.895 -1.826
31 HD13 LEU 4 3HD1 LEU 4 -10.168 -0.709 -2.776
32 HD21 LEU 4 3HD2 LEU 4 -10.237 -3.767 -2.360
33 HD22 LEU 4 1HD2 LEU 4 -8.565 -4.255 -2.101
34 HD23 LEU 4 2HD2 LEU 4 -9.007 -3.365 -3.558
35 H GLU 5 H GLU 5 -6.170 -2.221 -0.827
36 HA GLU 5 HA GLU 5 -4.765 -0.697 1.286
37 HB2 GLU 5 2HB GLU 5 -5.663 -2.995 2.601
38 HB3 GLU 5 1HB GLU 5 -6.261 -1.360 2.834
39 HG2 GLU 5 2HG GLU 5 -8.274 -2.239 2.244
40 HG3 GLU 5 1HG GLU 5 -7.666 -2.163 0.599
41 H LYS 6 H LYS 6 -5.332 -4.122 0.336
42 HA LYS 6 HA LYS 6 -2.938 -5.226 1.201
43 HB2 LYS 6 2HB LYS 6 -5.103 -5.975 -0.369
44 HB3 LYS 6 1HB LYS 6 -3.728 -6.198 -1.452
45 HG2 LYS 6 2HG LYS 6 -3.424 -7.195 1.345
46 HG3 LYS 6 1HG LYS 6 -4.499 -8.104 0.288
47 HD2 LYS 6 2HD LYS 6 -2.074 -7.418 -1.132
48 HD3 LYS 6 1HD LYS 6 -1.675 -8.227 0.382
49 HE2 LYS 6 2HE LYS 6 -1.961 -9.958 -1.282
50 HE3 LYS 6 1HE LYS 6 -3.412 -10.004 -0.260
51 HZ1 LYS 6 3HZ LYS 6 -3.975 -9.949 -2.630
52 HZ2 LYS 6 1HZ LYS 6 -3.152 -8.479 -2.802
53 HZ3 LYS 6 2HZ LYS 6 -4.541 -8.565 -1.828
54 H LEU 7 H LEU 7 -3.356 -3.545 -1.925
55 HA LEU 7 HA LEU 7 -0.818 -4.110 -3.020
56 HB2 LEU 7 2HB LEU 7 -1.366 -2.437 -4.543
57 HB3 LEU 7 1HB LEU 7 -2.952 -2.780 -3.860
58 HG LEU 7 HG LEU 7 -2.237 -0.913 -2.115
59 HD11 LEU 7 1HD1 LEU 7 -0.203 -0.043 -2.620
60 HD12 LEU 7 2HD1 LEU 7 -1.022 0.771 -3.952
61 HD13 LEU 7 3HD1 LEU 7 -0.204 -0.765 -4.230
62 HD21 LEU 7 3HD2 LEU 7 -2.882 0.436 -4.612
63 HD22 LEU 7 1HD2 LEU 7 -3.865 0.238 -3.163
64 HD23 LEU 7 2HD2 LEU 7 -3.840 -1.027 -4.392
65 H MET 8 H MET 8 -1.580 -2.185 -0.216
66 HA MET 8 HA MET 8 0.827 -0.516 -0.357
67 HB2 MET 8 2HB MET 8 -1.282 -1.132 1.739
68 HB3 MET 8 1HB MET 8 0.091 -0.084 2.089
69 HG2 MET 8 2HG MET 8 -1.028 0.721 -0.418
70 HG3 MET 8 1HG MET 8 -2.338 0.600 0.752
71 HE1 MET 8 3HE MET 8 1.315 3.321 0.756
72 HE2 MET 8 1HE MET 8 0.895 2.002 -0.344
73 HE3 MET 8 2HE MET 8 1.566 1.648 1.245
74 H LYS 9 H LYS 9 -0.178 -3.260 1.758
75 HA LYS 9 HA LYS 9 2.382 -3.594 2.988
76 HB2 LYS 9 2HB LYS 9 0.003 -4.634 3.474
77 HB3 LYS 9 1HB LYS 9 0.521 -5.880 2.340
78 HG2 LYS 9 2HG LYS 9 1.078 -6.591 4.604
79 HG3 LYS 9 1HG LYS 9 2.569 -6.240 3.731
80 HD2 LYS 9 2HD LYS 9 3.130 -4.613 5.187
81 HD3 LYS 9 1HD LYS 9 1.544 -3.849 5.030
82 HE2 LYS 9 2HE LYS 9 1.605 -6.386 6.602
83 HE3 LYS 9 1HE LYS 9 2.391 -4.982 7.352
84 HZ1 LYS 9 3HZ LYS 9 0.415 -3.663 6.875
85 HZ2 LYS 9 1HZ LYS 9 0.027 -4.996 7.845
86 HZ3 LYS 9 2HZ LYS 9 -0.344 -5.020 6.193
87 H ALA 10 H ALA 10 0.968 -4.787 0.019
88 HA ALA 10 HA ALA 10 2.951 -6.602 -0.925
89 HB1 ALA 10 1HB ALA 10 0.861 -4.794 -1.958
90 HB2 ALA 10 2HB ALA 10 1.307 -6.399 -2.538
91 HB3 ALA 10 3HB ALA 10 2.206 -4.982 -3.080
92 H PHE 11 H PHE 11 2.429 -3.264 -1.700
93 HA PHE 11 HA PHE 11 4.867 -2.785 -3.003
94 HB2 PHE 11 2HB PHE 11 2.715 -1.544 -3.147
95 HB3 PHE 11 1HB PHE 11 3.103 -0.852 -1.568
96 HD1 PHE 11 2HD PHE 11 4.512 -1.484 -4.904
97 HD2 PHE 11 1HD PHE 11 4.611 0.818 -1.309
98 HE1 PHE 11 2HE PHE 11 6.144 0.097 -5.986
99 HE2 PHE 11 1HE PHE 11 6.263 2.413 -2.352
100 HZ PHE 11 HZ PHE 11 7.025 2.034 -4.695
101 H GLU 12 H GLU 12 3.831 -1.565 0.161
102 HA GLU 12 HA GLU 12 6.254 -0.329 0.693
103 HB2 GLU 12 2HB GLU 12 3.973 -1.418 2.276
104 HB3 GLU 12 1HB GLU 12 5.448 -1.133 3.192
105 HG2 GLU 12 2HG GLU 12 4.788 1.062 1.352
106 HG3 GLU 12 1HG GLU 12 3.554 0.792 2.582
107 H SER 13 H SER 13 5.302 -3.716 0.911
108 HA SER 13 HA SER 13 7.557 -4.794 2.299
109 HB2 SER 13 2HB SER 13 5.502 -5.735 0.323
110 HB3 SER 13 1HB SER 13 6.886 -6.777 0.609
111 HG SER 13 HG SER 13 4.776 -6.060 2.266
112 H LEU 14 H LEU 14 7.063 -3.803 -1.071
113 HA LEU 14 HA LEU 14 9.586 -4.804 -2.117
114 HB2 LEU 14 2HB LEU 14 7.689 -2.604 -2.992
115 HB3 LEU 14 1HB LEU 14 8.997 -3.239 -3.985
116 HG LEU 14 HG LEU 14 7.205 -5.304 -2.888
117 HD11 LEU 14 1HD1 LEU 14 5.844 -4.275 -5.143
118 HD12 LEU 14 2HD1 LEU 14 6.123 -2.918 -4.057
119 HD13 LEU 14 3HD1 LEU 14 5.268 -4.348 -3.479
120 HD21 LEU 14 3HD2 LEU 14 7.664 -4.877 -5.800
121 HD22 LEU 14 1HD2 LEU 14 7.741 -6.366 -4.861
122 HD23 LEU 14 2HD2 LEU 14 9.090 -5.230 -4.826
123 H LYS 15 H LYS 15 8.355 -1.856 -0.794
124 HA LYS 15 HA LYS 15 10.589 -0.130 -1.032
125 HB2 LYS 15 2HB LYS 15 8.661 0.895 -0.280
126 HB3 LYS 15 1HB LYS 15 8.039 -0.592 0.371
127 HG2 LYS 15 2HG LYS 15 8.376 0.318 2.375
128 HG3 LYS 15 1HG LYS 15 10.084 -0.006 2.111
129 HD2 LYS 15 2HD LYS 15 10.293 2.258 1.035
130 HD3 LYS 15 1HD LYS 15 8.618 2.579 1.481
131 HE2 LYS 15 2HE LYS 15 10.894 1.985 3.414
132 HE3 LYS 15 1HE LYS 15 10.099 3.551 3.181
133 HZ1 LYS 15 3HZ LYS 15 9.077 1.126 4.459
134 HZ2 LYS 15 1HZ LYS 15 7.954 2.067 3.589
135 HZ3 LYS 15 2HZ LYS 15 8.838 2.749 4.880
136 H SER 16 H SER 16 9.455 -2.402 1.366
137 HA SER 16 HA SER 16 11.493 -2.340 3.320
138 HB2 SER 16 2HB SER 16 9.390 -4.184 2.345
139 HB3 SER 16 1HB SER 16 10.641 -4.927 3.335
140 HG SER 16 HG SER 16 8.595 -3.261 4.034
141 H PHE 17 H PHE 17 11.187 -4.979 0.905
142 HA PHE 17 HA PHE 17 14.087 -5.484 1.160
143 HB2 PHE 17 2HB PHE 17 13.468 -7.451 -0.310
144 HB3 PHE 17 1HB PHE 17 12.674 -7.408 1.250
145 HD1 PHE 17 1HD PHE 17 12.143 -6.335 -2.315
146 HD2 PHE 17 2HD PHE 17 10.343 -7.696 1.344
147 HE1 PHE 17 1HE PHE 17 9.940 -6.473 -3.445
148 HE2 PHE 17 2HE PHE 17 8.140 -7.830 0.203
149 HZ PHE 17 HZ PHE 17 7.946 -7.242 -2.195
150 HN1 NH2 18 1H PHE 17 13.284 -2.984 -0.275
151 HN2 NH2 18 2H PHE 17 13.873 -3.155 -1.855
Start of MODEL 9
1 H1 MET 1 1HT MET 1 -13.728 -0.175 -9.056
2 H2 MET 1 2HT MET 1 -13.670 -1.279 -7.775
3 H3 MET 1 3HT MET 1 -12.346 -1.114 -8.823
4 HA MET 1 HA MET 1 -12.747 1.428 -7.874
5 HB2 MET 1 2HB MET 1 -12.983 -0.669 -5.690
6 HB3 MET 1 1HB MET 1 -12.837 1.064 -5.434
7 HG2 MET 1 2HG MET 1 -14.994 1.502 -6.254
8 HG3 MET 1 1HG MET 1 -15.085 -0.038 -7.114
9 HE1 MET 1 3HE MET 1 -14.396 -2.360 -4.160
10 HE2 MET 1 1HE MET 1 -14.261 -2.029 -5.895
11 HE3 MET 1 2HE MET 1 -15.761 -2.660 -5.231
12 H ALA 2 H ALA 2 -10.643 2.151 -7.711
13 HA ALA 2 HA ALA 2 -8.442 0.207 -7.772
14 HB1 ALA 2 1HB ALA 2 -8.546 3.249 -7.658
15 HB2 ALA 2 2HB ALA 2 -8.417 2.273 -9.120
16 HB3 ALA 2 3HB ALA 2 -7.090 2.305 -7.961
17 H THR 3 H THR 3 -9.607 -0.377 -5.466
18 HA THR 3 HA THR 3 -8.546 1.257 -3.252
19 HB THR 3 HB THR 3 -9.767 -0.768 -2.045
20 HG1 THR 3 1HG THR 3 -11.299 -1.715 -3.376
21 HG21 THR 3 3HG2 THR 3 -12.008 0.488 -2.847
22 HG22 THR 3 1HG2 THR 3 -10.818 1.638 -3.452
23 HG23 THR 3 2HG2 THR 3 -10.857 1.230 -1.737
24 H LEU 4 H LEU 4 -8.567 -2.283 -3.772
25 HA LEU 4 HA LEU 4 -6.994 -3.905 -3.060
26 HB2 LEU 4 2HB LEU 4 -6.448 -2.536 -5.325
27 HB3 LEU 4 1HB LEU 4 -4.964 -2.234 -4.421
28 HG LEU 4 HG LEU 4 -6.146 -4.916 -5.211
29 HD11 LEU 4 1HD1 LEU 4 -3.969 -5.212 -6.308
30 HD12 LEU 4 2HD1 LEU 4 -3.438 -3.639 -5.712
31 HD13 LEU 4 3HD1 LEU 4 -4.749 -3.742 -6.887
32 HD21 LEU 4 3HD2 LEU 4 -5.252 -4.840 -2.811
33 HD22 LEU 4 1HD2 LEU 4 -3.673 -4.492 -3.517
34 HD23 LEU 4 2HD2 LEU 4 -4.487 -6.011 -3.881
35 H GLU 5 H GLU 5 -7.328 -2.329 -0.861
36 HA GLU 5 HA GLU 5 -5.246 -0.778 0.163
37 HB2 GLU 5 2HB GLU 5 -6.078 -1.599 2.374
38 HB3 GLU 5 1HB GLU 5 -7.373 -1.129 1.283
39 HG2 GLU 5 2HG GLU 5 -6.629 -3.965 1.026
40 HG3 GLU 5 1HG GLU 5 -7.226 -3.541 2.628
41 H LYS 6 H LYS 6 -5.310 -4.284 -0.248
42 HA LYS 6 HA LYS 6 -3.157 -5.017 1.472
43 HB2 LYS 6 2HB LYS 6 -4.883 -6.203 -0.402
44 HB3 LYS 6 1HB LYS 6 -3.269 -6.480 -1.055
45 HG2 LYS 6 2HG LYS 6 -3.996 -7.074 1.829
46 HG3 LYS 6 1HG LYS 6 -4.129 -8.274 0.542
47 HD2 LYS 6 2HD LYS 6 -1.584 -7.206 0.178
48 HD3 LYS 6 1HD LYS 6 -1.744 -7.299 1.935
49 HE2 LYS 6 2HE LYS 6 -2.266 -9.591 -0.000
50 HE3 LYS 6 1HE LYS 6 -0.830 -9.419 1.025
51 HZ1 LYS 6 3HZ LYS 6 -3.596 -10.016 1.790
52 HZ2 LYS 6 1HZ LYS 6 -2.686 -9.064 2.859
53 HZ3 LYS 6 2HZ LYS 6 -2.150 -10.617 2.426
54 H LEU 7 H LEU 7 -3.171 -3.660 -1.791
55 HA LEU 7 HA LEU 7 -0.525 -4.145 -2.609
56 HB2 LEU 7 2HB LEU 7 -0.988 -2.543 -4.215
57 HB3 LEU 7 1HB LEU 7 -2.623 -2.836 -3.633
58 HG LEU 7 HG LEU 7 -1.875 -0.908 -1.887
59 HD11 LEU 7 1HD1 LEU 7 -0.775 0.817 -3.597
60 HD12 LEU 7 2HD1 LEU 7 -0.093 -0.660 -4.276
61 HD13 LEU 7 3HD1 LEU 7 0.218 -0.238 -2.593
62 HD21 LEU 7 3HD2 LEU 7 -3.531 0.231 -2.911
63 HD22 LEU 7 1HD2 LEU 7 -3.628 -1.136 -4.016
64 HD23 LEU 7 2HD2 LEU 7 -2.669 0.279 -4.448
65 H MET 8 H MET 8 -1.633 -2.139 0.045
66 HA MET 8 HA MET 8 0.633 -0.359 0.172
67 HB2 MET 8 2HB MET 8 -0.304 0.258 2.304
68 HB3 MET 8 1HB MET 8 -1.680 -0.180 1.298
69 HG2 MET 8 2HG MET 8 -1.481 -2.529 2.297
70 HG3 MET 8 1HG MET 8 -0.372 -1.823 3.470
71 HE1 MET 8 3HE MET 8 -2.011 1.264 3.806
72 HE2 MET 8 1HE MET 8 -0.771 0.255 4.565
73 HE3 MET 8 2HE MET 8 -2.250 0.650 5.441
74 H LYS 9 H LYS 9 -0.030 -3.541 1.704
75 HA LYS 9 HA LYS 9 2.557 -3.616 3.036
76 HB2 LYS 9 2HB LYS 9 0.149 -4.931 3.268
77 HB3 LYS 9 1HB LYS 9 1.116 -6.126 2.411
78 HG2 LYS 9 2HG LYS 9 1.430 -6.517 4.775
79 HG3 LYS 9 1HG LYS 9 2.919 -5.797 4.157
80 HD2 LYS 9 2HD LYS 9 1.411 -3.572 4.837
81 HD3 LYS 9 1HD LYS 9 0.997 -4.728 6.105
82 HE2 LYS 9 2HE LYS 9 3.860 -4.048 5.305
83 HE3 LYS 9 1HE LYS 9 3.014 -3.335 6.690
84 HZ1 LYS 9 3HZ LYS 9 4.295 -5.309 7.325
85 HZ2 LYS 9 1HZ LYS 9 3.398 -6.249 6.244
86 HZ3 LYS 9 2HZ LYS 9 2.632 -5.540 7.583
87 H ALA 10 H ALA 10 1.088 -4.934 0.137
88 HA ALA 10 HA ALA 10 3.102 -6.478 -1.052
89 HB1 ALA 10 1HB ALA 10 1.625 -6.151 -2.787
90 HB2 ALA 10 2HB ALA 10 2.132 -4.466 -2.899
91 HB3 ALA 10 3HB ALA 10 0.814 -4.916 -1.820
92 H PHE 11 H PHE 11 2.466 -3.107 -1.510
93 HA PHE 11 HA PHE 11 4.774 -2.375 -2.859
94 HB2 PHE 11 2HB PHE 11 2.580 -1.205 -2.632
95 HB3 PHE 11 1HB PHE 11 3.146 -0.671 -1.039
96 HD1 PHE 11 2HD PHE 11 4.178 -0.947 -4.564
97 HD2 PHE 11 1HD PHE 11 4.626 0.986 -0.781
98 HE1 PHE 11 2HE PHE 11 5.641 0.793 -5.651
99 HE2 PHE 11 1HE PHE 11 6.104 2.737 -1.827
100 HZ PHE 11 HZ PHE 11 6.607 2.626 -4.266
101 H GLU 12 H GLU 12 3.995 -1.585 0.497
102 HA GLU 12 HA GLU 12 6.457 -0.407 0.972
103 HB2 GLU 12 2HB GLU 12 4.407 -1.869 2.658
104 HB3 GLU 12 1HB GLU 12 5.889 -1.321 3.421
105 HG2 GLU 12 2HG GLU 12 5.117 0.885 1.933
106 HG3 GLU 12 1HG GLU 12 3.586 0.246 2.526
107 H SER 13 H SER 13 5.483 -3.808 0.980
108 HA SER 13 HA SER 13 7.944 -4.918 1.971
109 HB2 SER 13 2HB SER 13 5.527 -5.825 0.470
110 HB3 SER 13 1HB SER 13 6.953 -6.853 0.364
111 HG SER 13 HG SER 13 6.985 -6.999 2.601
112 H LEU 14 H LEU 14 6.868 -3.798 -1.210
113 HA LEU 14 HA LEU 14 9.110 -4.824 -2.762
114 HB2 LEU 14 2HB LEU 14 7.244 -2.473 -3.209
115 HB3 LEU 14 1HB LEU 14 8.297 -3.171 -4.433
116 HG LEU 14 HG LEU 14 6.414 -5.018 -3.057
117 HD11 LEU 14 1HD1 LEU 14 5.572 -2.561 -4.248
118 HD12 LEU 14 2HD1 LEU 14 4.571 -3.878 -3.629
119 HD13 LEU 14 3HD1 LEU 14 5.093 -3.882 -5.311
120 HD21 LEU 14 3HD2 LEU 14 6.408 -5.108 -5.921
121 HD22 LEU 14 1HD2 LEU 14 7.063 -6.299 -4.796
122 HD23 LEU 14 2HD2 LEU 14 8.079 -4.981 -5.377
123 H LYS 15 H LYS 15 8.295 -1.913 -1.045
124 HA LYS 15 HA LYS 15 10.393 -0.176 -1.691
125 HB2 LYS 15 2HB LYS 15 8.854 0.754 -0.266
126 HB3 LYS 15 1HB LYS 15 8.357 -0.798 0.316
127 HG2 LYS 15 2HG LYS 15 9.210 0.179 2.235
128 HG3 LYS 15 1HG LYS 15 10.598 -0.737 1.647
129 HD2 LYS 15 2HD LYS 15 11.658 1.199 0.780
130 HD3 LYS 15 1HD LYS 15 10.162 2.136 0.817
131 HE2 LYS 15 2HE LYS 15 11.498 2.906 2.665
132 HE3 LYS 15 1HE LYS 15 10.230 1.885 3.365
133 HZ1 LYS 15 3HZ LYS 15 12.942 0.930 2.608
134 HZ2 LYS 15 1HZ LYS 15 11.728 0.019 3.369
135 HZ3 LYS 15 2HZ LYS 15 12.455 1.304 4.189
136 H SER 16 H SER 16 10.066 -2.810 0.543
137 HA SER 16 HA SER 16 12.612 -2.854 1.810
138 HB2 SER 16 2HB SER 16 10.201 -4.428 1.582
139 HB3 SER 16 1HB SER 16 11.611 -5.486 1.579
140 HG SER 16 HG SER 16 10.501 -4.069 3.616
141 H PHE 17 H PHE 17 11.602 -5.405 -0.459
142 HA PHE 17 HA PHE 17 14.379 -5.961 -1.152
143 HB2 PHE 17 2HB PHE 17 13.271 -7.738 -2.564
144 HB3 PHE 17 1HB PHE 17 12.869 -7.801 -0.858
145 HD1 PHE 17 1HD PHE 17 11.644 -6.444 -4.138
146 HD2 PHE 17 2HD PHE 17 10.603 -7.799 -0.191
147 HE1 PHE 17 1HE PHE 17 9.239 -6.297 -4.716
148 HE2 PHE 17 2HE PHE 17 8.194 -7.635 -0.774
149 HZ PHE 17 HZ PHE 17 7.516 -6.909 -3.044
150 HN1 NH2 18 1H PHE 17 12.047 -3.846 -2.582
151 HN2 NH2 18 2H PHE 17 12.827 -3.681 -4.082
Start of MODEL 10
1 H1 MET 1 1HT MET 1 -15.099 -1.770 -0.325
2 H2 MET 1 2HT MET 1 -15.159 -2.894 0.943
3 H3 MET 1 3HT MET 1 -13.896 -2.949 -0.185
4 HA MET 1 HA MET 1 -13.554 -0.463 0.673
5 HB2 MET 1 2HB MET 1 -14.922 -2.075 2.839
6 HB3 MET 1 1HB MET 1 -13.935 -0.664 3.200
7 HG2 MET 1 2HG MET 1 -15.454 0.812 2.283
8 HG3 MET 1 1HG MET 1 -16.036 -0.361 1.103
9 HE1 MET 1 3HE MET 1 -16.517 -0.091 5.476
10 HE2 MET 1 1HE MET 1 -17.537 1.169 4.754
11 HE3 MET 1 2HE MET 1 -15.832 1.060 4.331
12 H ALA 2 H ALA 2 -13.282 -3.608 2.409
13 HA ALA 2 HA ALA 2 -10.423 -3.149 2.898
14 HB1 ALA 2 1HB ALA 2 -11.631 -4.225 4.641
15 HB2 ALA 2 2HB ALA 2 -10.728 -5.531 3.872
16 HB3 ALA 2 3HB ALA 2 -12.438 -5.312 3.511
17 H THR 3 H THR 3 -9.653 -3.100 0.648
18 HA THR 3 HA THR 3 -9.142 -5.817 -0.414
19 HB THR 3 HB THR 3 -10.472 -3.698 -2.137
20 HG1 THR 3 1HG THR 3 -11.545 -5.749 -0.514
21 HG21 THR 3 3HG2 THR 3 -9.929 -6.658 -2.442
22 HG22 THR 3 1HG2 THR 3 -9.273 -5.342 -3.420
23 HG23 THR 3 2HG2 THR 3 -10.986 -5.747 -3.517
24 H LEU 4 H LEU 4 -8.965 -2.478 -1.750
25 HA LEU 4 HA LEU 4 -6.517 -2.823 -3.117
26 HB2 LEU 4 2HB LEU 4 -8.099 -0.496 -2.087
27 HB3 LEU 4 1HB LEU 4 -6.533 -0.209 -2.841
28 HG LEU 4 HG LEU 4 -8.714 -1.859 -4.142
29 HD11 LEU 4 1HD1 LEU 4 -9.770 0.155 -4.318
30 HD12 LEU 4 2HD1 LEU 4 -8.594 0.429 -5.603
31 HD13 LEU 4 3HD1 LEU 4 -8.301 1.071 -3.986
32 HD21 LEU 4 3HD2 LEU 4 -6.376 -0.443 -5.434
33 HD22 LEU 4 1HD2 LEU 4 -7.374 -1.739 -6.097
34 HD23 LEU 4 2HD2 LEU 4 -6.228 -2.085 -4.805
35 H GLU 5 H GLU 5 -7.008 -1.926 0.289
36 HA GLU 5 HA GLU 5 -4.525 -0.768 0.916
37 HB2 GLU 5 2HB GLU 5 -4.927 -1.781 3.189
38 HB3 GLU 5 1HB GLU 5 -6.336 -0.958 2.523
39 HG2 GLU 5 2HG GLU 5 -6.422 -3.654 1.609
40 HG3 GLU 5 1HG GLU 5 -6.088 -3.695 3.341
41 H LYS 6 H LYS 6 -5.130 -4.064 -0.066
42 HA LYS 6 HA LYS 6 -2.902 -5.377 1.136
43 HB2 LYS 6 2HB LYS 6 -4.829 -5.793 -1.055
44 HB3 LYS 6 1HB LYS 6 -3.289 -6.599 -1.314
45 HG2 LYS 6 2HG LYS 6 -3.486 -7.648 0.935
46 HG3 LYS 6 1HG LYS 6 -5.064 -6.890 1.132
47 HD2 LYS 6 2HD LYS 6 -5.033 -8.205 -1.408
48 HD3 LYS 6 1HD LYS 6 -4.445 -9.343 -0.195
49 HE2 LYS 6 2HE LYS 6 -6.805 -9.620 -0.123
50 HE3 LYS 6 1HE LYS 6 -6.481 -8.521 1.230
51 HZ1 LYS 6 3HZ LYS 6 -8.191 -7.542 -0.066
52 HZ2 LYS 6 1HZ LYS 6 -7.352 -7.782 -1.512
53 HZ3 LYS 6 2HZ LYS 6 -6.779 -6.651 -0.384
54 H LEU 7 H LEU 7 -3.187 -3.852 -2.078
55 HA LEU 7 HA LEU 7 -0.536 -4.316 -2.944
56 HB2 LEU 7 2HB LEU 7 -1.073 -2.787 -4.630
57 HB3 LEU 7 1HB LEU 7 -2.673 -3.270 -4.077
58 HG LEU 7 HG LEU 7 -2.345 -1.220 -2.407
59 HD11 LEU 7 1HD1 LEU 7 0.033 -0.999 -3.703
60 HD12 LEU 7 2HD1 LEU 7 -0.815 0.385 -3.012
61 HD13 LEU 7 3HD1 LEU 7 -0.966 0.026 -4.731
62 HD21 LEU 7 3HD2 LEU 7 -4.180 -0.910 -3.730
63 HD22 LEU 7 1HD2 LEU 7 -3.347 -1.453 -5.187
64 HD23 LEU 7 2HD2 LEU 7 -3.120 0.196 -4.604
65 H MET 8 H MET 8 -1.658 -2.288 -0.354
66 HA MET 8 HA MET 8 0.573 -0.397 -0.473
67 HB2 MET 8 2HB MET 8 -0.900 0.675 0.884
68 HB3 MET 8 1HB MET 8 -1.906 -0.765 0.944
69 HG2 MET 8 2HG MET 8 -0.638 -1.630 2.835
70 HG3 MET 8 1HG MET 8 0.490 -0.276 2.735
71 HE1 MET 8 3HE MET 8 0.129 1.934 4.147
72 HE2 MET 8 1HE MET 8 0.359 0.382 4.963
73 HE3 MET 8 2HE MET 8 -0.821 1.536 5.574
74 H LYS 9 H LYS 9 -0.216 -3.214 1.664
75 HA LYS 9 HA LYS 9 2.353 -3.181 2.970
76 HB2 LYS 9 2HB LYS 9 -0.072 -4.426 3.310
77 HB3 LYS 9 1HB LYS 9 0.910 -5.741 2.663
78 HG2 LYS 9 2HG LYS 9 1.167 -5.796 5.063
79 HG3 LYS 9 1HG LYS 9 2.668 -5.151 4.403
80 HD2 LYS 9 2HD LYS 9 1.414 -2.821 4.711
81 HD3 LYS 9 1HD LYS 9 0.494 -3.726 5.907
82 HE2 LYS 9 2HE LYS 9 2.232 -3.016 7.266
83 HE3 LYS 9 1HE LYS 9 2.989 -4.488 6.625
84 HZ1 LYS 9 3HZ LYS 9 3.151 -1.980 5.066
85 HZ2 LYS 9 1HZ LYS 9 4.220 -3.306 5.110
86 HZ3 LYS 9 2HZ LYS 9 4.187 -2.207 6.401
87 H ALA 10 H ALA 10 1.007 -4.714 0.126
88 HA ALA 10 HA ALA 10 3.076 -6.479 -0.702
89 HB1 ALA 10 1HB ALA 10 2.344 -5.533 -3.022
90 HB2 ALA 10 2HB ALA 10 1.237 -4.512 -2.109
91 HB3 ALA 10 3HB ALA 10 1.073 -6.267 -2.042
92 H PHE 11 H PHE 11 2.418 -3.214 -1.661
93 HA PHE 11 HA PHE 11 4.769 -2.623 -3.018
94 HB2 PHE 11 2HB PHE 11 2.689 -1.358 -3.087
95 HB3 PHE 11 1HB PHE 11 2.899 -0.917 -1.394
96 HD1 PHE 11 1HD PHE 11 4.461 -0.787 -4.695
97 HD2 PHE 11 2HD PHE 11 4.335 0.739 -0.708
98 HE1 PHE 11 1HE PHE 11 5.988 1.082 -5.390
99 HE2 PHE 11 2HE PHE 11 5.857 2.634 -1.366
100 HZ PHE 11 HZ PHE 11 6.685 2.791 -3.708
101 H GLU 12 H GLU 12 3.848 -1.595 0.256
102 HA GLU 12 HA GLU 12 6.240 -0.337 0.853
103 HB2 GLU 12 2HB GLU 12 4.321 -1.959 2.566
104 HB3 GLU 12 1HB GLU 12 5.628 -1.026 3.269
105 HG2 GLU 12 2HG GLU 12 4.741 1.032 2.320
106 HG3 GLU 12 1HG GLU 12 3.491 0.127 1.466
107 H SER 13 H SER 13 5.368 -3.776 1.222
108 HA SER 13 HA SER 13 7.841 -4.787 2.263
109 HB2 SER 13 2HB SER 13 5.598 -5.900 0.554
110 HB3 SER 13 1HB SER 13 6.920 -6.916 1.135
111 HG SER 13 HG SER 13 4.812 -5.721 2.499
112 H LEU 14 H LEU 14 6.893 -3.672 -0.870
113 HA LEU 14 HA LEU 14 9.232 -4.830 -2.229
114 HB2 LEU 14 2HB LEU 14 7.444 -4.984 -3.686
115 HB3 LEU 14 1HB LEU 14 6.566 -3.706 -2.867
116 HG LEU 14 HG LEU 14 7.170 -3.223 -5.249
117 HD11 LEU 14 1HD1 LEU 14 8.640 -1.191 -3.701
118 HD12 LEU 14 2HD1 LEU 14 7.005 -1.571 -3.155
119 HD13 LEU 14 3HD1 LEU 14 7.280 -1.026 -4.807
120 HD21 LEU 14 3HD2 LEU 14 9.621 -2.363 -5.459
121 HD22 LEU 14 1HD2 LEU 14 9.292 -4.085 -5.626
122 HD23 LEU 14 2HD2 LEU 14 9.935 -3.454 -4.114
123 H LYS 15 H LYS 15 7.908 -1.782 -1.137
124 HA LYS 15 HA LYS 15 9.753 0.113 -2.104
125 HB2 LYS 15 2HB LYS 15 8.164 1.122 -0.808
126 HB3 LYS 15 1HB LYS 15 7.749 -0.378 -0.054
127 HG2 LYS 15 2HG LYS 15 8.432 1.056 1.692
128 HG3 LYS 15 1HG LYS 15 9.759 -0.065 1.434
129 HD2 LYS 15 2HD LYS 15 10.552 1.864 -0.258
130 HD3 LYS 15 1HD LYS 15 9.620 2.859 0.861
131 HE2 LYS 15 2HE LYS 15 11.366 2.827 2.298
132 HE3 LYS 15 1HE LYS 15 11.203 1.066 2.437
133 HZ1 LYS 15 3HZ LYS 15 12.691 2.543 0.331
134 HZ2 LYS 15 1HZ LYS 15 12.447 0.866 0.323
135 HZ3 LYS 15 2HZ LYS 15 13.365 1.588 1.558
136 H SER 16 H SER 16 9.714 -2.047 0.605
137 HA SER 16 HA SER 16 11.947 -1.651 2.127
138 HB2 SER 16 2HB SER 16 10.372 -3.935 1.133
139 HB3 SER 16 1HB SER 16 11.973 -4.384 1.719
140 HG SER 16 HG SER 16 9.823 -3.138 3.066
141 H PHE 17 H PHE 17 12.059 -3.685 -0.801
142 HA PHE 17 HA PHE 17 15.004 -3.357 -0.871
143 HB2 PHE 17 2HB PHE 17 14.778 -5.242 -2.518
144 HB3 PHE 17 1HB PHE 17 14.142 -5.604 -0.927
145 HD1 PHE 17 1HD PHE 17 13.106 -4.435 -4.320
146 HD2 PHE 17 2HD PHE 17 11.972 -6.344 -0.656
147 HE1 PHE 17 1HE PHE 17 10.913 -5.010 -5.304
148 HE2 PHE 17 2HE PHE 17 9.774 -6.921 -1.634
149 HZ PHE 17 HZ PHE 17 9.255 -6.287 -3.982
150 HN1 NH2 18 1H PHE 17 12.111 -2.442 -2.725
151 HN2 NH2 18 2H PHE 17 12.951 -1.617 -3.950
Start of MODEL 11
1 H1 MET 1 1HT MET 1 -13.658 1.642 5.329
2 H2 MET 1 2HT MET 1 -12.182 1.339 4.556
3 H3 MET 1 3HT MET 1 -12.506 0.642 6.066
4 HA MET 1 HA MET 1 -13.961 -0.921 5.212
5 HB2 MET 1 2HB MET 1 -14.208 1.153 3.015
6 HB3 MET 1 1HB MET 1 -14.851 -0.477 2.815
7 HG2 MET 1 2HG MET 1 -15.660 0.547 5.389
8 HG3 MET 1 1HG MET 1 -16.089 1.711 4.135
9 HE1 MET 1 3HE MET 1 -17.674 -0.007 1.505
10 HE2 MET 1 1HE MET 1 -17.127 1.473 2.305
11 HE3 MET 1 2HE MET 1 -18.779 0.903 2.529
12 H ALA 2 H ALA 2 -13.166 -2.779 4.159
13 HA ALA 2 HA ALA 2 -10.436 -2.800 3.238
14 HB1 ALA 2 1HB ALA 2 -11.937 -4.663 4.248
15 HB2 ALA 2 2HB ALA 2 -10.823 -5.122 2.961
16 HB3 ALA 2 3HB ALA 2 -12.532 -4.880 2.603
17 H THR 3 H THR 3 -9.771 -1.998 1.289
18 HA THR 3 HA THR 3 -11.475 -2.496 -1.109
19 HB THR 3 HB THR 3 -10.116 0.161 -0.838
20 HG1 THR 3 1HG THR 3 -11.114 0.154 1.125
21 HG21 THR 3 3HG2 THR 3 -12.891 -0.512 -1.815
22 HG22 THR 3 1HG2 THR 3 -11.468 -0.717 -2.835
23 HG23 THR 3 2HG2 THR 3 -11.896 0.885 -2.231
24 H LEU 4 H LEU 4 -8.409 -0.680 -0.544
25 HA LEU 4 HA LEU 4 -7.033 -2.677 -2.301
26 HB2 LEU 4 2HB LEU 4 -7.770 0.040 -2.846
27 HB3 LEU 4 1HB LEU 4 -6.010 -0.060 -2.780
28 HG LEU 4 HG LEU 4 -7.817 -1.831 -4.459
29 HD11 LEU 4 1HD1 LEU 4 -7.251 0.720 -5.037
30 HD12 LEU 4 2HD1 LEU 4 -7.294 -0.522 -6.284
31 HD13 LEU 4 3HD1 LEU 4 -5.748 -0.008 -5.613
32 HD21 LEU 4 3HD2 LEU 4 -5.229 -2.097 -5.386
33 HD22 LEU 4 1HD2 LEU 4 -6.039 -3.242 -4.321
34 HD23 LEU 4 2HD2 LEU 4 -4.991 -1.995 -3.639
35 H GLU 5 H GLU 5 -6.931 -1.995 0.741
36 HA GLU 5 HA GLU 5 -4.399 -0.745 1.291
37 HB2 GLU 5 2HB GLU 5 -4.624 -1.939 3.473
38 HB3 GLU 5 1HB GLU 5 -6.112 -1.123 2.995
39 HG2 GLU 5 2HG GLU 5 -5.933 -3.875 1.982
40 HG3 GLU 5 1HG GLU 5 -5.909 -3.779 3.742
41 H LYS 6 H LYS 6 -5.197 -3.833 -0.037
42 HA LYS 6 HA LYS 6 -3.026 -5.462 0.752
43 HB2 LYS 6 2HB LYS 6 -4.903 -5.224 -1.562
44 HB3 LYS 6 1HB LYS 6 -3.514 -6.282 -1.757
45 HG2 LYS 6 2HG LYS 6 -5.073 -7.763 -0.848
46 HG3 LYS 6 1HG LYS 6 -4.250 -7.200 0.608
47 HD2 LYS 6 2HD LYS 6 -6.077 -6.070 1.358
48 HD3 LYS 6 1HD LYS 6 -6.511 -5.502 -0.251
49 HE2 LYS 6 2HE LYS 6 -8.267 -7.002 0.461
50 HE3 LYS 6 1HE LYS 6 -7.317 -7.883 -0.748
51 HZ1 LYS 6 3HZ LYS 6 -7.506 -8.307 2.119
52 HZ2 LYS 6 1HZ LYS 6 -5.938 -8.405 1.493
53 HZ3 LYS 6 2HZ LYS 6 -7.157 -9.417 0.884
54 H LEU 7 H LEU 7 -3.290 -3.362 -2.114
55 HA LEU 7 HA LEU 7 -0.678 -3.769 -3.124
56 HB2 LEU 7 2HB LEU 7 -1.193 -1.962 -4.501
57 HB3 LEU 7 1HB LEU 7 -2.803 -2.427 -3.963
58 HG LEU 7 HG LEU 7 -2.242 -0.707 -1.990
59 HD11 LEU 7 1HD1 LEU 7 0.067 -0.438 -3.391
60 HD12 LEU 7 2HD1 LEU 7 -0.635 0.875 -2.448
61 HD13 LEU 7 3HD1 LEU 7 -0.910 0.798 -4.186
62 HD21 LEU 7 3HD2 LEU 7 -2.963 1.052 -4.036
63 HD22 LEU 7 1HD2 LEU 7 -4.076 0.093 -3.057
64 HD23 LEU 7 2HD2 LEU 7 -3.522 -0.517 -4.617
65 H MET 8 H MET 8 -1.653 -2.181 -0.187
66 HA MET 8 HA MET 8 0.695 -0.433 -0.026
67 HB2 MET 8 2HB MET 8 -0.645 0.500 1.546
68 HB3 MET 8 1HB MET 8 -1.815 -0.782 1.265
69 HG2 MET 8 2HG MET 8 -0.379 -2.181 2.913
70 HG3 MET 8 1HG MET 8 0.344 -0.641 3.372
71 HE1 MET 8 3HE MET 8 -1.827 1.453 4.897
72 HE2 MET 8 1HE MET 8 -2.824 1.401 3.437
73 HE3 MET 8 2HE MET 8 -1.066 1.348 3.314
74 H LYS 9 H LYS 9 -0.286 -3.552 1.449
75 HA LYS 9 HA LYS 9 2.218 -3.963 2.821
76 HB2 LYS 9 2HB LYS 9 -0.188 -5.109 2.967
77 HB3 LYS 9 1HB LYS 9 0.506 -6.200 1.766
78 HG2 LYS 9 2HG LYS 9 1.462 -7.326 3.470
79 HG3 LYS 9 1HG LYS 9 2.502 -5.923 3.726
80 HD2 LYS 9 2HD LYS 9 1.228 -5.128 5.488
81 HD3 LYS 9 1HD LYS 9 -0.262 -5.850 4.876
82 HE2 LYS 9 2HE LYS 9 0.527 -7.046 6.909
83 HE3 LYS 9 1HE LYS 9 0.596 -8.109 5.490
84 HZ1 LYS 9 3HZ LYS 9 2.921 -6.411 6.156
85 HZ2 LYS 9 1HZ LYS 9 2.877 -7.873 5.299
86 HZ3 LYS 9 2HZ LYS 9 2.685 -7.871 6.983
87 H ALA 10 H ALA 10 0.884 -4.961 -0.273
88 HA ALA 10 HA ALA 10 2.935 -6.494 -1.442
89 HB1 ALA 10 1HB ALA 10 2.295 -4.945 -3.492
90 HB2 ALA 10 2HB ALA 10 1.116 -4.259 -2.373
91 HB3 ALA 10 3HB ALA 10 1.039 -5.972 -2.800
92 H PHE 11 H PHE 11 2.408 -3.081 -1.616
93 HA PHE 11 HA PHE 11 4.817 -2.355 -2.842
94 HB2 PHE 11 2HB PHE 11 2.698 -1.112 -2.784
95 HB3 PHE 11 1HB PHE 11 2.994 -0.771 -1.077
96 HD1 PHE 11 1HD PHE 11 4.669 -0.723 -4.357
97 HD2 PHE 11 2HD PHE 11 4.292 0.914 -0.432
98 HE1 PHE 11 1HE PHE 11 6.285 1.099 -4.982
99 HE2 PHE 11 2HE PHE 11 5.887 2.767 -1.025
100 HZ PHE 11 HZ PHE 11 6.887 2.839 -3.302
101 H GLU 12 H GLU 12 3.811 -1.740 0.515
102 HA GLU 12 HA GLU 12 6.253 -0.638 1.215
103 HB2 GLU 12 2HB GLU 12 4.023 -2.032 2.643
104 HB3 GLU 12 1HB GLU 12 5.506 -1.787 3.556
105 HG2 GLU 12 2HG GLU 12 4.329 0.487 1.984
106 HG3 GLU 12 1HG GLU 12 3.679 0.080 3.568
107 H SER 13 H SER 13 5.240 -4.007 0.937
108 HA SER 13 HA SER 13 7.505 -5.331 2.052
109 HB2 SER 13 2HB SER 13 5.565 -5.944 -0.194
110 HB3 SER 13 1HB SER 13 6.779 -7.108 0.323
111 HG SER 13 HG SER 13 4.567 -6.046 1.710
112 H LEU 14 H LEU 14 7.143 -3.428 -0.844
113 HA LEU 14 HA LEU 14 9.633 -4.356 -2.125
114 HB2 LEU 14 2HB LEU 14 7.685 -2.105 -2.701
115 HB3 LEU 14 1HB LEU 14 9.043 -2.516 -3.735
116 HG LEU 14 HG LEU 14 7.284 -4.797 -3.118
117 HD11 LEU 14 1HD1 LEU 14 5.996 -3.249 -5.149
118 HD12 LEU 14 2HD1 LEU 14 6.162 -2.250 -3.707
119 HD13 LEU 14 3HD1 LEU 14 5.332 -3.806 -3.616
120 HD21 LEU 14 3HD2 LEU 14 9.061 -3.835 -5.186
121 HD22 LEU 14 1HD2 LEU 14 7.483 -4.175 -5.893
122 HD23 LEU 14 2HD2 LEU 14 8.346 -5.437 -5.021
123 H LYS 15 H LYS 15 8.276 -1.583 -0.476
124 HA LYS 15 HA LYS 15 10.352 0.285 -0.468
125 HB2 LYS 15 2HB LYS 15 8.498 1.010 0.666
126 HB3 LYS 15 1HB LYS 15 7.990 -0.611 1.020
127 HG2 LYS 15 2HG LYS 15 8.415 -0.043 3.139
128 HG3 LYS 15 1HG LYS 15 10.083 -0.396 2.708
129 HD2 LYS 15 2HD LYS 15 9.912 2.179 1.859
130 HD3 LYS 15 1HD LYS 15 8.771 2.217 3.204
131 HE2 LYS 15 2HE LYS 15 10.787 2.705 4.305
132 HE3 LYS 15 1HE LYS 15 10.724 0.942 4.483
133 HZ1 LYS 15 3HZ LYS 15 12.022 0.719 2.448
134 HZ2 LYS 15 1HZ LYS 15 12.859 1.660 3.574
135 HZ3 LYS 15 2HZ LYS 15 12.072 2.404 2.268
136 H SER 16 H SER 16 9.721 -2.547 1.443
137 HA SER 16 HA SER 16 11.778 -2.725 3.305
138 HB2 SER 16 2HB SER 16 10.335 -4.647 1.508
139 HB3 SER 16 1HB SER 16 11.586 -5.263 2.574
140 HG SER 16 HG SER 16 9.243 -3.800 3.282
141 H PHE 17 H PHE 17 11.970 -4.148 0.039
142 HA PHE 17 HA PHE 17 14.924 -4.013 0.175
143 HB2 PHE 17 2HB PHE 17 14.689 -5.526 -1.830
144 HB3 PHE 17 1HB PHE 17 14.013 -6.167 -0.348
145 HD1 PHE 17 2HD PHE 17 12.978 -4.215 -3.406
146 HD2 PHE 17 1HD PHE 17 11.847 -7.050 -0.388
147 HE1 PHE 17 2HE PHE 17 10.798 -4.577 -4.551
148 HE2 PHE 17 1HE PHE 17 9.677 -7.417 -1.540
149 HZ PHE 17 HZ PHE 17 9.168 -6.201 -3.634
150 HN1 NH2 18 1H PHE 17 13.422 -1.522 -0.294
151 HN2 NH2 18 2H PHE 17 13.851 -0.995 -1.848
Start of MODEL 12
1 H1 MET 1 1HT MET 1 -12.001 2.295 4.813
2 H2 MET 1 2HT MET 1 -12.553 3.769 5.432
3 H3 MET 1 3HT MET 1 -10.898 3.384 5.497
4 HA MET 1 HA MET 1 -12.523 4.001 3.082
5 HB2 MET 1 2HB MET 1 -10.074 5.287 4.342
6 HB3 MET 1 1HB MET 1 -10.949 5.884 2.936
7 HG2 MET 1 2HG MET 1 -12.066 5.632 5.748
8 HG3 MET 1 1HG MET 1 -11.626 7.131 4.937
9 HE1 MET 1 3HE MET 1 -14.187 8.038 2.597
10 HE2 MET 1 1HE MET 1 -12.865 7.073 1.938
11 HE3 MET 1 2HE MET 1 -12.564 8.203 3.257
12 H ALA 2 H ALA 2 -10.034 1.962 4.272
13 HA ALA 2 HA ALA 2 -8.300 2.056 1.913
14 HB1 ALA 2 1HB ALA 2 -6.930 0.768 3.224
15 HB2 ALA 2 2HB ALA 2 -8.251 -0.250 3.788
16 HB3 ALA 2 3HB ALA 2 -7.995 1.335 4.511
17 H THR 3 H THR 3 -9.124 1.250 0.009
18 HA THR 3 HA THR 3 -10.923 -1.121 0.060
19 HB THR 3 HB THR 3 -10.085 0.387 -2.406
20 HG1 THR 3 1HG THR 3 -10.707 2.143 -1.403
21 HG21 THR 3 3HG2 THR 3 -11.797 -1.665 -2.025
22 HG22 THR 3 1HG2 THR 3 -12.034 -0.448 -3.284
23 HG23 THR 3 2HG2 THR 3 -12.896 -0.314 -1.750
24 H LEU 4 H LEU 4 -7.900 0.000 -1.493
25 HA LEU 4 HA LEU 4 -7.205 -2.860 -2.069
26 HB2 LEU 4 2HB LEU 4 -6.855 -0.237 -3.424
27 HB3 LEU 4 1HB LEU 4 -5.488 -1.345 -3.538
28 HG LEU 4 HG LEU 4 -7.161 -3.143 -4.259
29 HD11 LEU 4 1HD1 LEU 4 -9.139 -1.788 -3.411
30 HD12 LEU 4 2HD1 LEU 4 -9.313 -2.463 -5.027
31 HD13 LEU 4 3HD1 LEU 4 -8.923 -0.757 -4.823
32 HD21 LEU 4 3HD2 LEU 4 -6.432 -0.703 -5.852
33 HD22 LEU 4 1HD2 LEU 4 -7.491 -1.912 -6.575
34 HD23 LEU 4 2HD2 LEU 4 -5.874 -2.367 -6.036
35 H GLU 5 H GLU 5 -6.815 -1.886 0.551
36 HA GLU 5 HA GLU 5 -4.257 -0.731 1.086
37 HB2 GLU 5 2HB GLU 5 -4.649 -2.014 3.337
38 HB3 GLU 5 1HB GLU 5 -5.787 -0.752 2.875
39 HG2 GLU 5 2HG GLU 5 -7.453 -2.302 2.266
40 HG3 GLU 5 1HG GLU 5 -6.294 -3.617 2.076
41 H LYS 6 H LYS 6 -5.091 -3.962 0.057
42 HA LYS 6 HA LYS 6 -2.850 -5.363 1.158
43 HB2 LYS 6 2HB LYS 6 -5.024 -5.800 -0.707
44 HB3 LYS 6 1HB LYS 6 -3.536 -6.481 -1.354
45 HG2 LYS 6 2HG LYS 6 -3.451 -8.126 0.217
46 HG3 LYS 6 1HG LYS 6 -3.971 -7.047 1.511
47 HD2 LYS 6 2HD LYS 6 -5.908 -8.232 1.414
48 HD3 LYS 6 1HD LYS 6 -6.262 -7.209 0.022
49 HE2 LYS 6 2HE LYS 6 -4.748 -9.828 -0.256
50 HE3 LYS 6 1HE LYS 6 -6.517 -9.734 -0.363
51 HZ1 LYS 6 3HZ LYS 6 -6.326 -8.095 -2.099
52 HZ2 LYS 6 1HZ LYS 6 -5.433 -9.465 -2.542
53 HZ3 LYS 6 2HZ LYS 6 -4.637 -8.083 -1.968
54 H LEU 7 H LEU 7 -3.292 -3.759 -2.008
55 HA LEU 7 HA LEU 7 -0.698 -4.355 -3.021
56 HB2 LEU 7 2HB LEU 7 -1.409 -3.056 -4.773
57 HB3 LEU 7 1HB LEU 7 -2.958 -3.139 -3.948
58 HG LEU 7 HG LEU 7 -2.126 -1.005 -2.682
59 HD11 LEU 7 1HD1 LEU 7 0.113 -1.522 -4.315
60 HD12 LEU 7 2HD1 LEU 7 -0.174 -0.083 -3.337
61 HD13 LEU 7 3HD1 LEU 7 -0.675 -0.121 -5.028
62 HD21 LEU 7 3HD2 LEU 7 -2.674 0.302 -4.966
63 HD22 LEU 7 1HD2 LEU 7 -3.918 -0.543 -4.040
64 HD23 LEU 7 2HD2 LEU 7 -3.185 -1.314 -5.445
65 H MET 8 H MET 8 -1.673 -2.294 -0.418
66 HA MET 8 HA MET 8 0.599 -0.444 -0.595
67 HB2 MET 8 2HB MET 8 -1.768 -0.922 1.123
68 HB3 MET 8 1HB MET 8 -0.358 -0.331 1.998
69 HG2 MET 8 2HG MET 8 -0.956 1.039 -0.567
70 HG3 MET 8 1HG MET 8 -2.107 1.307 0.744
71 HE1 MET 8 3HE MET 8 2.343 2.390 0.591
72 HE2 MET 8 1HE MET 8 1.274 2.052 -0.778
73 HE3 MET 8 2HE MET 8 1.743 0.756 0.319
74 H LYS 9 H LYS 9 -0.272 -3.125 1.672
75 HA LYS 9 HA LYS 9 2.295 -3.227 2.938
76 HB2 LYS 9 2HB LYS 9 0.001 -4.410 3.487
77 HB3 LYS 9 1HB LYS 9 0.615 -5.681 2.426
78 HG2 LYS 9 2HG LYS 9 2.641 -5.887 3.803
79 HG3 LYS 9 1HG LYS 9 2.087 -4.567 4.834
80 HD2 LYS 9 2HD LYS 9 -0.080 -6.285 4.848
81 HD3 LYS 9 1HD LYS 9 1.291 -7.397 4.846
82 HE2 LYS 9 2HE LYS 9 1.024 -5.053 6.769
83 HE3 LYS 9 1HE LYS 9 0.573 -6.721 7.167
84 HZ1 LYS 9 3HZ LYS 9 2.795 -7.444 6.656
85 HZ2 LYS 9 1HZ LYS 9 2.877 -6.196 7.797
86 HZ3 LYS 9 2HZ LYS 9 3.244 -5.877 6.179
87 H ALA 10 H ALA 10 0.953 -4.752 0.083
88 HA ALA 10 HA ALA 10 2.992 -6.484 -0.823
89 HB1 ALA 10 1HB ALA 10 0.840 -4.814 -1.887
90 HB2 ALA 10 2HB ALA 10 1.438 -6.352 -2.511
91 HB3 ALA 10 3HB ALA 10 2.213 -4.842 -2.987
92 H PHE 11 H PHE 11 2.432 -3.181 -1.736
93 HA PHE 11 HA PHE 11 4.832 -2.659 -3.062
94 HB2 PHE 11 2HB PHE 11 2.772 -1.350 -3.195
95 HB3 PHE 11 1HB PHE 11 2.977 -0.870 -1.511
96 HD1 PHE 11 2HD PHE 11 4.524 -0.824 -4.820
97 HD2 PHE 11 1HD PHE 11 4.541 0.696 -0.822
98 HE1 PHE 11 2HE PHE 11 6.118 0.982 -5.535
99 HE2 PHE 11 1HE PHE 11 6.145 2.507 -1.499
100 HZ PHE 11 HZ PHE 11 6.926 2.637 -3.857
101 H GLU 12 H GLU 12 3.865 -1.492 0.149
102 HA GLU 12 HA GLU 12 6.278 -0.301 0.765
103 HB2 GLU 12 2HB GLU 12 4.271 -1.807 2.487
104 HB3 GLU 12 1HB GLU 12 5.567 -0.848 3.179
105 HG2 GLU 12 2HG GLU 12 3.598 0.278 1.183
106 HG3 GLU 12 1HG GLU 12 3.340 0.365 2.924
107 H SER 13 H SER 13 5.284 -3.694 1.204
108 HA SER 13 HA SER 13 7.653 -4.783 2.391
109 HB2 SER 13 2HB SER 13 5.494 -5.849 0.543
110 HB3 SER 13 1HB SER 13 6.732 -6.895 1.228
111 HG SER 13 HG SER 13 4.850 -5.277 2.622
112 H LEU 14 H LEU 14 6.937 -3.659 -0.804
113 HA LEU 14 HA LEU 14 9.322 -4.913 -2.006
114 HB2 LEU 14 2HB LEU 14 7.623 -5.110 -3.554
115 HB3 LEU 14 1HB LEU 14 6.717 -3.786 -2.848
116 HG LEU 14 HG LEU 14 7.534 -3.467 -5.238
117 HD11 LEU 14 1HD1 LEU 14 7.282 -1.293 -4.811
118 HD12 LEU 14 2HD1 LEU 14 8.736 -1.242 -3.815
119 HD13 LEU 14 3HD1 LEU 14 7.201 -1.739 -3.112
120 HD21 LEU 14 3HD2 LEU 14 10.008 -2.364 -4.914
121 HD22 LEU 14 1HD2 LEU 14 9.728 -3.986 -5.534
122 HD23 LEU 14 2HD2 LEU 14 10.113 -3.743 -3.837
123 H LYS 15 H LYS 15 7.932 -1.781 -1.196
124 HA LYS 15 HA LYS 15 9.874 0.042 -2.075
125 HB2 LYS 15 2HB LYS 15 8.237 1.148 -0.912
126 HB3 LYS 15 1HB LYS 15 7.719 -0.332 -0.160
127 HG2 LYS 15 2HG LYS 15 8.928 0.017 1.727
128 HG3 LYS 15 1HG LYS 15 10.208 0.890 0.888
129 HD2 LYS 15 2HD LYS 15 8.857 2.879 0.729
130 HD3 LYS 15 1HD LYS 15 7.439 2.027 1.329
131 HE2 LYS 15 2HE LYS 15 9.977 2.314 2.982
132 HE3 LYS 15 1HE LYS 15 8.635 3.475 3.072
133 HZ1 LYS 15 3HZ LYS 15 8.439 0.535 3.513
134 HZ2 LYS 15 1HZ LYS 15 7.108 1.596 3.485
135 HZ3 LYS 15 2HZ LYS 15 8.295 1.735 4.693
136 H SER 16 H SER 16 9.586 -1.966 0.720
137 HA SER 16 HA SER 16 11.692 -1.658 2.403
138 HB2 SER 16 2HB SER 16 10.351 -4.012 1.122
139 HB3 SER 16 1HB SER 16 11.656 -4.309 2.267
140 HG SER 16 HG SER 16 9.193 -2.935 2.659
141 H PHE 17 H PHE 17 12.022 -3.867 -0.375
142 HA PHE 17 HA PHE 17 14.957 -3.608 -0.221
143 HB2 PHE 17 2HB PHE 17 14.812 -5.526 -1.837
144 HB3 PHE 17 1HB PHE 17 14.026 -5.834 -0.300
145 HD1 PHE 17 1HD PHE 17 13.326 -4.627 -3.774
146 HD2 PHE 17 2HD PHE 17 11.824 -6.579 -0.262
147 HE1 PHE 17 1HE PHE 17 11.215 -5.136 -4.957
148 HE2 PHE 17 2HE PHE 17 9.710 -7.089 -1.442
149 HZ PHE 17 HZ PHE 17 9.413 -6.400 -3.808
150 HN1 NH2 18 1H PHE 17 12.299 -2.530 -2.307
151 HN2 NH2 18 2H PHE 17 13.285 -1.833 -3.500
Start of MODEL 13
1 H1 MET 1 1HT MET 1 -3.436 7.243 1.384
2 H2 MET 1 2HT MET 1 -3.807 8.722 0.644
3 H3 MET 1 3HT MET 1 -2.997 7.507 -0.228
4 HA MET 1 HA MET 1 -5.804 7.439 0.750
5 HB2 MET 1 2HB MET 1 -4.544 8.503 -1.541
6 HB3 MET 1 1HB MET 1 -5.270 6.987 -2.076
7 HG2 MET 1 2HG MET 1 -7.408 7.775 -0.867
8 HG3 MET 1 1HG MET 1 -6.640 9.362 -0.795
9 HE1 MET 1 3HE MET 1 -5.843 10.704 -2.677
10 HE2 MET 1 1HE MET 1 -7.567 11.041 -2.446
11 HE3 MET 1 2HE MET 1 -6.901 10.905 -4.069
12 H ALA 2 H ALA 2 -6.529 5.373 1.137
13 HA ALA 2 HA ALA 2 -4.837 3.100 0.186
14 HB1 ALA 2 1HB ALA 2 -5.057 2.801 2.459
15 HB2 ALA 2 2HB ALA 2 -6.575 2.034 1.989
16 HB3 ALA 2 3HB ALA 2 -6.570 3.712 2.536
17 H THR 3 H THR 3 -5.844 3.267 -2.015
18 HA THR 3 HA THR 3 -8.710 2.787 -2.333
19 HB THR 3 HB THR 3 -7.794 2.426 -4.753
20 HG1 THR 3 1HG THR 3 -5.719 2.425 -4.940
21 HG21 THR 3 3HG2 THR 3 -7.336 5.019 -3.245
22 HG22 THR 3 1HG2 THR 3 -8.828 4.528 -4.049
23 HG23 THR 3 2HG2 THR 3 -7.387 4.883 -5.003
24 H LEU 4 H LEU 4 -5.696 0.935 -2.609
25 HA LEU 4 HA LEU 4 -7.281 -1.596 -2.445
26 HB2 LEU 4 2HB LEU 4 -5.867 -0.717 -4.623
27 HB3 LEU 4 1HB LEU 4 -4.608 -1.593 -3.757
28 HG LEU 4 HG LEU 4 -7.296 -2.708 -4.619
29 HD11 LEU 4 1HD1 LEU 4 -4.470 -2.931 -5.621
30 HD12 LEU 4 2HD1 LEU 4 -5.956 -2.713 -6.540
31 HD13 LEU 4 3HD1 LEU 4 -5.578 -4.284 -5.840
32 HD21 LEU 4 3HD2 LEU 4 -5.036 -3.831 -2.953
33 HD22 LEU 4 1HD2 LEU 4 -6.147 -4.883 -3.829
34 HD23 LEU 4 2HD2 LEU 4 -6.759 -3.804 -2.575
35 H GLU 5 H GLU 5 -6.852 -1.114 -0.077
36 HA GLU 5 HA GLU 5 -4.586 -0.756 1.362
37 HB2 GLU 5 2HB GLU 5 -5.564 -2.628 2.906
38 HB3 GLU 5 1HB GLU 5 -6.541 -1.204 2.570
39 HG2 GLU 5 2HG GLU 5 -8.155 -2.496 1.674
40 HG3 GLU 5 1HG GLU 5 -7.013 -3.145 0.499
41 H LYS 6 H LYS 6 -5.347 -3.951 -0.092
42 HA LYS 6 HA LYS 6 -3.127 -5.387 0.890
43 HB2 LYS 6 2HB LYS 6 -5.254 -5.781 -0.846
44 HB3 LYS 6 1HB LYS 6 -3.857 -5.959 -1.902
45 HG2 LYS 6 2HG LYS 6 -4.295 -8.147 -1.040
46 HG3 LYS 6 1HG LYS 6 -2.897 -7.550 -0.148
47 HD2 LYS 6 2HD LYS 6 -4.118 -8.221 1.660
48 HD3 LYS 6 1HD LYS 6 -4.878 -6.645 1.462
49 HE2 LYS 6 2HE LYS 6 -5.928 -9.137 0.081
50 HE3 LYS 6 1HE LYS 6 -6.498 -8.604 1.674
51 HZ1 LYS 6 3HZ LYS 6 -6.611 -7.104 -0.881
52 HZ2 LYS 6 1HZ LYS 6 -6.840 -6.353 0.632
53 HZ3 LYS 6 2HZ LYS 6 -7.902 -7.572 0.101
54 H LEU 7 H LEU 7 -3.296 -3.208 -1.913
55 HA LEU 7 HA LEU 7 -0.709 -3.825 -2.952
56 HB2 LEU 7 2HB LEU 7 -1.155 -2.079 -4.411
57 HB3 LEU 7 1HB LEU 7 -2.786 -2.417 -3.843
58 HG LEU 7 HG LEU 7 -2.170 -0.648 -1.968
59 HD11 LEU 7 1HD1 LEU 7 -0.741 1.032 -3.720
60 HD12 LEU 7 2HD1 LEU 7 0.085 -0.525 -3.791
61 HD13 LEU 7 3HD1 LEU 7 -0.135 0.285 -2.241
62 HD21 LEU 7 3HD2 LEU 7 -2.663 1.123 -4.021
63 HD22 LEU 7 1HD2 LEU 7 -3.900 0.169 -3.199
64 HD23 LEU 7 2HD2 LEU 7 -3.212 -0.403 -4.719
65 H MET 8 H MET 8 -1.623 -2.240 -0.021
66 HA MET 8 HA MET 8 0.737 -0.501 0.124
67 HB2 MET 8 2HB MET 8 -0.312 0.302 2.015
68 HB3 MET 8 1HB MET 8 -1.702 -0.529 1.330
69 HG2 MET 8 2HG MET 8 -1.137 -2.531 2.704
70 HG3 MET 8 1HG MET 8 0.191 -1.631 3.432
71 HE1 MET 8 3HE MET 8 -0.158 0.775 4.128
72 HE2 MET 8 1HE MET 8 -1.478 1.301 5.183
73 HE3 MET 8 2HE MET 8 -1.641 1.428 3.435
74 H LYS 9 H LYS 9 -0.236 -3.645 1.594
75 HA LYS 9 HA LYS 9 2.295 -4.100 2.896
76 HB2 LYS 9 2HB LYS 9 -0.124 -5.281 2.991
77 HB3 LYS 9 1HB LYS 9 0.631 -6.347 1.808
78 HG2 LYS 9 2HG LYS 9 1.096 -7.357 3.912
79 HG3 LYS 9 1HG LYS 9 2.590 -6.521 3.478
80 HD2 LYS 9 2HD LYS 9 2.434 -5.128 5.256
81 HD3 LYS 9 1HD LYS 9 0.747 -4.761 4.895
82 HE2 LYS 9 2HE LYS 9 0.958 -5.861 7.113
83 HE3 LYS 9 1HE LYS 9 0.051 -6.886 5.986
84 HZ1 LYS 9 3HZ LYS 9 2.017 -7.911 7.288
85 HZ2 LYS 9 1HZ LYS 9 2.988 -7.111 6.156
86 HZ3 LYS 9 2HZ LYS 9 1.856 -8.262 5.637
87 H ALA 10 H ALA 10 0.956 -4.804 -0.269
88 HA ALA 10 HA ALA 10 2.987 -6.355 -1.508
89 HB1 ALA 10 1HB ALA 10 1.190 -4.061 -2.349
90 HB2 ALA 10 2HB ALA 10 1.065 -5.752 -2.826
91 HB3 ALA 10 3HB ALA 10 2.345 -4.740 -3.494
92 H PHE 11 H PHE 11 2.468 -2.930 -1.627
93 HA PHE 11 HA PHE 11 4.895 -2.203 -2.786
94 HB2 PHE 11 2HB PHE 11 2.786 -0.924 -2.684
95 HB3 PHE 11 1HB PHE 11 3.123 -0.621 -0.969
96 HD1 PHE 11 1HD PHE 11 4.603 -0.447 -4.323
97 HD2 PHE 11 2HD PHE 11 4.637 0.907 -0.269
98 HE1 PHE 11 1HE PHE 11 6.269 1.337 -4.953
99 HE2 PHE 11 2HE PHE 11 6.285 2.712 -0.856
100 HZ PHE 11 HZ PHE 11 7.103 2.911 -3.202
101 H GLU 12 H GLU 12 3.871 -1.677 0.564
102 HA GLU 12 HA GLU 12 6.305 -0.628 1.350
103 HB2 GLU 12 2HB GLU 12 4.005 -1.993 2.667
104 HB3 GLU 12 1HB GLU 12 5.488 -1.968 3.616
105 HG2 GLU 12 2HG GLU 12 4.861 0.120 4.245
106 HG3 GLU 12 1HG GLU 12 5.370 0.610 2.628
107 H SER 13 H SER 13 5.290 -3.981 0.890
108 HA SER 13 HA SER 13 7.653 -5.287 1.921
109 HB2 SER 13 2HB SER 13 5.450 -5.996 -0.030
110 HB3 SER 13 1HB SER 13 6.731 -7.138 0.383
111 HG SER 13 HG SER 13 4.562 -6.296 1.830
112 H LEU 14 H LEU 14 7.384 -3.160 -0.699
113 HA LEU 14 HA LEU 14 9.401 -4.530 -2.420
114 HB2 LEU 14 2HB LEU 14 7.685 -2.042 -2.587
115 HB3 LEU 14 1HB LEU 14 9.056 -2.243 -3.665
116 HG LEU 14 HG LEU 14 7.290 -4.593 -3.521
117 HD11 LEU 14 1HD1 LEU 14 5.986 -2.815 -5.286
118 HD12 LEU 14 2HD1 LEU 14 6.206 -1.937 -3.773
119 HD13 LEU 14 3HD1 LEU 14 5.353 -3.483 -3.776
120 HD21 LEU 14 3HD2 LEU 14 7.818 -3.099 -6.040
121 HD22 LEU 14 1HD2 LEU 14 7.972 -4.825 -5.710
122 HD23 LEU 14 2HD2 LEU 14 9.240 -3.712 -5.205
123 H LYS 15 H LYS 15 8.820 -1.555 -0.662
124 HA LYS 15 HA LYS 15 11.197 -0.218 -0.582
125 HB2 LYS 15 2HB LYS 15 8.874 0.070 0.429
126 HB3 LYS 15 1HB LYS 15 9.368 -1.052 1.687
127 HG2 LYS 15 2HG LYS 15 11.183 0.413 2.313
128 HG3 LYS 15 1HG LYS 15 10.797 1.493 0.973
129 HD2 LYS 15 2HD LYS 15 9.383 2.610 2.324
130 HD3 LYS 15 1HD LYS 15 8.393 1.157 2.439
131 HE2 LYS 15 2HE LYS 15 8.960 1.752 4.704
132 HE3 LYS 15 1HE LYS 15 10.009 0.385 4.283
133 HZ1 LYS 15 3HZ LYS 15 10.743 3.258 4.046
134 HZ2 LYS 15 1HZ LYS 15 11.736 1.952 3.623
135 HZ3 LYS 15 2HZ LYS 15 11.303 2.193 5.244
136 H SER 16 H SER 16 10.181 -3.178 0.999
137 HA SER 16 HA SER 16 12.229 -3.796 2.813
138 HB2 SER 16 2HB SER 16 10.492 -5.386 0.922
139 HB3 SER 16 1HB SER 16 11.512 -6.172 2.119
140 HG SER 16 HG SER 16 9.367 -4.340 2.537
141 H PHE 17 H PHE 17 12.025 -4.932 -0.569
142 HA PHE 17 HA PHE 17 14.930 -5.525 -0.532
143 HB2 PHE 17 2HB PHE 17 14.276 -6.829 -2.592
144 HB3 PHE 17 1HB PHE 17 13.510 -7.354 -1.109
145 HD1 PHE 17 2HD PHE 17 12.886 -4.988 -3.964
146 HD2 PHE 17 1HD PHE 17 11.224 -7.745 -1.132
147 HE1 PHE 17 2HE PHE 17 10.663 -4.743 -5.030
148 HE2 PHE 17 1HE PHE 17 8.992 -7.499 -2.193
149 HZ PHE 17 HZ PHE 17 8.721 -6.016 -4.161
150 HN1 NH2 18 1H PHE 17 12.646 -3.308 -2.040
151 HN2 NH2 18 2H PHE 17 13.767 -2.588 -3.093
Start of MODEL 14
1 H1 MET 1 1HT MET 1 -14.785 0.102 1.675
2 H2 MET 1 2HT MET 1 -14.857 -0.648 0.153
3 H3 MET 1 3HT MET 1 -16.111 0.378 0.648
4 HA MET 1 HA MET 1 -14.431 1.320 -1.002
5 HB2 MET 1 2HB MET 1 -15.589 2.399 1.521
6 HB3 MET 1 1HB MET 1 -14.405 3.426 0.712
7 HG2 MET 1 2HG MET 1 -15.690 3.476 -1.306
8 HG3 MET 1 1HG MET 1 -16.735 2.164 -0.756
9 HE1 MET 1 3HE MET 1 -16.292 6.416 0.240
10 HE2 MET 1 1HE MET 1 -17.399 6.169 -1.115
11 HE3 MET 1 2HE MET 1 -15.800 5.437 -1.142
12 H ALA 2 H ALA 2 -12.267 0.993 -1.314
13 HA ALA 2 HA ALA 2 -10.358 1.821 0.797
14 HB1 ALA 2 1HB ALA 2 -10.027 -0.334 1.429
15 HB2 ALA 2 2HB ALA 2 -9.372 -0.638 -0.181
16 HB3 ALA 2 3HB ALA 2 -11.082 -0.920 0.144
17 H THR 3 H THR 3 -8.132 1.948 -0.138
18 HA THR 3 HA THR 3 -8.252 2.488 -3.071
19 HB THR 3 HB THR 3 -6.109 3.818 -2.313
20 HG1 THR 3 1HG THR 3 -6.002 4.229 -0.177
21 HG21 THR 3 3HG2 THR 3 -8.847 4.670 -1.348
22 HG22 THR 3 1HG2 THR 3 -8.291 4.802 -3.017
23 HG23 THR 3 2HG2 THR 3 -7.498 5.733 -1.747
24 H LEU 4 H LEU 4 -5.517 1.834 -0.879
25 HA LEU 4 HA LEU 4 -4.674 -0.428 -2.663
26 HB2 LEU 4 2HB LEU 4 -3.130 1.645 -1.060
27 HB3 LEU 4 1HB LEU 4 -2.384 0.331 -1.970
28 HG LEU 4 HG LEU 4 -4.132 1.500 -3.806
29 HD11 LEU 4 1HD1 LEU 4 -4.137 3.385 -1.967
30 HD12 LEU 4 2HD1 LEU 4 -3.958 3.819 -3.668
31 HD13 LEU 4 3HD1 LEU 4 -2.541 3.754 -2.621
32 HD21 LEU 4 3HD2 LEU 4 -2.221 1.686 -5.042
33 HD22 LEU 4 1HD2 LEU 4 -1.524 0.760 -3.711
34 HD23 LEU 4 2HD2 LEU 4 -1.352 2.513 -3.752
35 H GLU 5 H GLU 5 -6.447 -0.765 -0.441
36 HA GLU 5 HA GLU 5 -5.636 -1.258 2.111
37 HB2 GLU 5 2HB GLU 5 -7.217 -3.236 2.011
38 HB3 GLU 5 1HB GLU 5 -7.861 -1.742 1.336
39 HG2 GLU 5 2HG GLU 5 -7.263 -2.502 -0.931
40 HG3 GLU 5 1HG GLU 5 -6.605 -3.992 -0.262
41 H LYS 6 H LYS 6 -4.738 -3.418 -0.622
42 HA LYS 6 HA LYS 6 -3.009 -4.911 1.313
43 HB2 LYS 6 2HB LYS 6 -4.816 -5.638 -0.931
44 HB3 LYS 6 1HB LYS 6 -3.343 -6.588 -0.788
45 HG2 LYS 6 2HG LYS 6 -4.454 -7.813 0.755
46 HG3 LYS 6 1HG LYS 6 -4.253 -6.431 1.830
47 HD2 LYS 6 2HD LYS 6 -6.434 -5.702 0.267
48 HD3 LYS 6 1HD LYS 6 -6.681 -7.429 0.522
49 HE2 LYS 6 2HE LYS 6 -6.115 -5.434 2.749
50 HE3 LYS 6 1HE LYS 6 -7.725 -6.052 2.335
51 HZ1 LYS 6 3HZ LYS 6 -6.982 -7.536 3.938
52 HZ2 LYS 6 1HZ LYS 6 -5.386 -7.547 3.357
53 HZ3 LYS 6 2HZ LYS 6 -6.612 -8.342 2.493
54 H LEU 7 H LEU 7 -3.158 -4.096 -2.173
55 HA LEU 7 HA LEU 7 -0.515 -4.751 -2.822
56 HB2 LEU 7 2HB LEU 7 -0.978 -3.652 -4.800
57 HB3 LEU 7 1HB LEU 7 -2.612 -3.779 -4.160
58 HG LEU 7 HG LEU 7 -1.953 -1.451 -3.015
59 HD11 LEU 7 1HD1 LEU 7 0.050 -0.686 -3.725
60 HD12 LEU 7 2HD1 LEU 7 -0.680 -0.476 -5.316
61 HD13 LEU 7 3HD1 LEU 7 0.181 -1.966 -4.930
62 HD21 LEU 7 3HD2 LEU 7 -3.848 -1.710 -4.488
63 HD22 LEU 7 1HD2 LEU 7 -2.800 -1.907 -5.892
64 HD23 LEU 7 2HD2 LEU 7 -2.909 -0.342 -5.085
65 H MET 8 H MET 8 -1.549 -2.203 -0.682
66 HA MET 8 HA MET 8 0.801 -0.514 -1.114
67 HB2 MET 8 2HB MET 8 -0.178 0.851 0.542
68 HB3 MET 8 1HB MET 8 -1.567 0.073 -0.197
69 HG2 MET 8 2HG MET 8 -1.707 -1.537 1.622
70 HG3 MET 8 1HG MET 8 -0.214 -0.920 2.334
71 HE1 MET 8 3HE MET 8 -2.477 -0.664 4.676
72 HE2 MET 8 1HE MET 8 -3.025 -1.531 3.234
73 HE3 MET 8 2HE MET 8 -3.970 -0.188 3.878
74 H LYS 9 H LYS 9 -0.166 -2.923 1.407
75 HA LYS 9 HA LYS 9 2.341 -2.692 2.830
76 HB2 LYS 9 2HB LYS 9 -0.101 -3.807 3.306
77 HB3 LYS 9 1HB LYS 9 0.814 -5.243 2.849
78 HG2 LYS 9 2HG LYS 9 1.119 -5.060 5.202
79 HG3 LYS 9 1HG LYS 9 2.607 -4.405 4.518
80 HD2 LYS 9 2HD LYS 9 0.863 -2.208 4.614
81 HD3 LYS 9 1HD LYS 9 0.574 -3.060 6.129
82 HE2 LYS 9 2HE LYS 9 3.370 -2.380 5.140
83 HE3 LYS 9 1HE LYS 9 2.440 -1.329 6.225
84 HZ1 LYS 9 3HZ LYS 9 2.121 -3.282 7.686
85 HZ2 LYS 9 1HZ LYS 9 3.736 -2.807 7.551
86 HZ3 LYS 9 2HZ LYS 9 3.185 -4.161 6.695
87 H ALA 10 H ALA 10 1.093 -4.640 0.198
88 HA ALA 10 HA ALA 10 3.177 -6.538 -0.238
89 HB1 ALA 10 1HB ALA 10 1.472 -6.725 -1.833
90 HB2 ALA 10 2HB ALA 10 2.497 -5.612 -2.744
91 HB3 ALA 10 3HB ALA 10 1.145 -4.995 -1.797
92 H PHE 11 H PHE 11 2.579 -3.537 -1.839
93 HA PHE 11 HA PHE 11 4.999 -3.184 -3.134
94 HB2 PHE 11 2HB PHE 11 2.931 -1.959 -3.540
95 HB3 PHE 11 1HB PHE 11 3.083 -1.189 -1.957
96 HD1 PHE 11 2HD PHE 11 4.714 -1.668 -5.195
97 HD2 PHE 11 1HD PHE 11 4.621 0.504 -1.515
98 HE1 PHE 11 2HE PHE 11 6.311 0.012 -6.164
99 HE2 PHE 11 1HE PHE 11 6.227 2.189 -2.454
100 HZ PHE 11 HZ PHE 11 7.070 1.931 -4.780
101 H GLU 12 H GLU 12 3.939 -1.509 -0.182
102 HA GLU 12 HA GLU 12 6.320 -0.183 0.266
103 HB2 GLU 12 2HB GLU 12 4.129 -1.285 2.011
104 HB3 GLU 12 1HB GLU 12 5.536 -0.577 2.794
105 HG2 GLU 12 2HG GLU 12 4.267 0.947 0.556
106 HG3 GLU 12 1HG GLU 12 3.453 0.931 2.120
107 H SER 13 H SER 13 5.393 -3.484 1.291
108 HA SER 13 HA SER 13 7.807 -4.268 2.625
109 HB2 SER 13 2HB SER 13 5.714 -5.748 0.985
110 HB3 SER 13 1HB SER 13 6.952 -6.576 1.927
111 HG SER 13 HG SER 13 4.700 -5.164 2.724
112 H LEU 14 H LEU 14 7.039 -3.787 -0.713
113 HA LEU 14 HA LEU 14 9.447 -5.152 -1.725
114 HB2 LEU 14 2HB LEU 14 7.694 -5.638 -3.164
115 HB3 LEU 14 1HB LEU 14 6.800 -4.215 -2.668
116 HG LEU 14 HG LEU 14 7.446 -4.214 -5.074
117 HD11 LEU 14 1HD1 LEU 14 7.513 -1.968 -5.007
118 HD12 LEU 14 2HD1 LEU 14 8.964 -1.940 -4.005
119 HD13 LEU 14 3HD1 LEU 14 7.384 -2.185 -3.268
120 HD21 LEU 14 3HD2 LEU 14 9.821 -3.628 -5.621
121 HD22 LEU 14 1HD2 LEU 14 9.641 -5.263 -4.987
122 HD23 LEU 14 2HD2 LEU 14 10.256 -3.975 -3.953
123 H LYS 15 H LYS 15 8.031 -1.978 -1.310
124 HA LYS 15 HA LYS 15 9.885 -0.284 -2.587
125 HB2 LYS 15 2HB LYS 15 8.209 0.932 -1.624
126 HB3 LYS 15 1HB LYS 15 7.798 -0.374 -0.554
127 HG2 LYS 15 2HG LYS 15 8.375 1.279 0.929
128 HG3 LYS 15 1HG LYS 15 9.889 0.403 0.772
129 HD2 LYS 15 2HD LYS 15 10.661 2.582 0.449
130 HD3 LYS 15 1HD LYS 15 10.279 2.144 -1.216
131 HE2 LYS 15 2HE LYS 15 9.287 4.351 -0.698
132 HE3 LYS 15 1HE LYS 15 7.997 3.159 -0.933
133 HZ1 LYS 15 3HZ LYS 15 7.443 3.175 1.235
134 HZ2 LYS 15 1HZ LYS 15 8.214 4.693 1.253
135 HZ3 LYS 15 2HZ LYS 15 9.054 3.314 1.769
136 H SER 16 H SER 16 9.753 -1.791 0.537
137 HA SER 16 HA SER 16 11.917 -1.059 2.023
138 HB2 SER 16 2HB SER 16 10.366 -3.481 1.464
139 HB3 SER 16 1HB SER 16 11.969 -3.853 2.086
140 HG SER 16 HG SER 16 9.804 -2.640 3.298
141 H PHE 17 H PHE 17 12.165 -3.631 -0.414
142 HA PHE 17 HA PHE 17 15.103 -3.250 -0.488
143 HB2 PHE 17 2HB PHE 17 14.982 -5.492 -1.598
144 HB3 PHE 17 1HB PHE 17 14.253 -5.477 -0.005
145 HD1 PHE 17 1HD PHE 17 13.390 -5.047 -3.612
146 HD2 PHE 17 2HD PHE 17 12.112 -6.318 0.275
147 HE1 PHE 17 1HE PHE 17 11.283 -5.879 -4.588
148 HE2 PHE 17 2HE PHE 17 9.992 -7.146 -0.691
149 HZ PHE 17 HZ PHE 17 9.586 -6.963 -3.138
150 HN1 NH2 18 1H PHE 17 12.969 -1.507 -2.010
151 HN2 NH2 18 2H PHE 17 13.455 -1.602 -3.632
Start of MODEL 15
1 H1 MET 1 1HT MET 1 -13.651 -4.895 3.020
2 H2 MET 1 2HT MET 1 -13.826 -6.573 3.181
3 H3 MET 1 3HT MET 1 -14.975 -5.683 2.316
4 HA MET 1 HA MET 1 -13.277 -6.996 0.969
5 HB2 MET 1 2HB MET 1 -14.707 -4.618 0.609
6 HB3 MET 1 1HB MET 1 -13.080 -4.201 0.082
7 HG2 MET 1 2HG MET 1 -13.166 -6.427 -1.251
8 HG3 MET 1 1HG MET 1 -14.909 -6.342 -0.997
9 HE1 MET 1 3HE MET 1 -11.951 -5.263 -3.108
10 HE2 MET 1 1HE MET 1 -12.964 -4.815 -4.489
11 HE3 MET 1 2HE MET 1 -13.198 -6.366 -3.689
12 H ALA 2 H ALA 2 -11.123 -6.554 -0.101
13 HA ALA 2 HA ALA 2 -9.246 -4.734 1.199
14 HB1 ALA 2 1HB ALA 2 -9.152 -7.719 1.711
15 HB2 ALA 2 2HB ALA 2 -9.425 -6.457 2.913
16 HB3 ALA 2 3HB ALA 2 -7.854 -6.604 2.125
17 H THR 3 H THR 3 -8.941 -4.197 -1.104
18 HA THR 3 HA THR 3 -7.355 -6.253 -2.596
19 HB THR 3 HB THR 3 -8.301 -4.665 -4.538
20 HG1 THR 3 1HG THR 3 -9.967 -3.531 -3.967
21 HG21 THR 3 3HG2 THR 3 -8.784 -6.967 -4.626
22 HG22 THR 3 1HG2 THR 3 -10.373 -6.212 -4.521
23 HG23 THR 3 2HG2 THR 3 -9.647 -6.935 -3.089
24 H LEU 4 H LEU 4 -7.907 -2.709 -2.907
25 HA LEU 4 HA LEU 4 -5.185 -2.176 -3.670
26 HB2 LEU 4 2HB LEU 4 -5.915 0.167 -3.412
27 HB3 LEU 4 1HB LEU 4 -7.119 -0.788 -4.264
28 HG LEU 4 HG LEU 4 -7.987 -1.105 -1.709
29 HD11 LEU 4 1HD1 LEU 4 -6.971 1.739 -1.856
30 HD12 LEU 4 2HD1 LEU 4 -6.157 0.469 -0.944
31 HD13 LEU 4 3HD1 LEU 4 -7.789 0.970 -0.495
32 HD21 LEU 4 3HD2 LEU 4 -8.852 0.157 -4.036
33 HD22 LEU 4 1HD2 LEU 4 -8.941 1.417 -2.808
34 HD23 LEU 4 2HD2 LEU 4 -9.810 -0.097 -2.575
35 H GLU 5 H GLU 5 -6.903 -1.996 -0.554
36 HA GLU 5 HA GLU 5 -4.840 -0.726 0.954
37 HB2 GLU 5 2HB GLU 5 -5.973 -2.021 2.875
38 HB3 GLU 5 1HB GLU 5 -7.020 -0.970 1.923
39 HG2 GLU 5 2HG GLU 5 -6.802 -3.677 0.811
40 HG3 GLU 5 1HG GLU 5 -7.488 -3.648 2.435
41 H LYS 6 H LYS 6 -5.053 -3.903 -0.413
42 HA LYS 6 HA LYS 6 -3.022 -5.080 1.375
43 HB2 LYS 6 2HB LYS 6 -5.084 -6.012 -0.246
44 HB3 LYS 6 1HB LYS 6 -3.634 -6.441 -1.151
45 HG2 LYS 6 2HG LYS 6 -3.380 -7.015 1.712
46 HG3 LYS 6 1HG LYS 6 -4.714 -7.891 0.963
47 HD2 LYS 6 2HD LYS 6 -2.740 -8.200 -0.913
48 HD3 LYS 6 1HD LYS 6 -1.804 -8.193 0.582
49 HE2 LYS 6 2HE LYS 6 -2.615 -10.222 1.240
50 HE3 LYS 6 1HE LYS 6 -4.268 -9.826 0.727
51 HZ1 LYS 6 3HZ LYS 6 -3.433 -11.493 -0.732
52 HZ2 LYS 6 1HZ LYS 6 -1.997 -10.643 -0.994
53 HZ3 LYS 6 2HZ LYS 6 -3.461 -10.039 -1.602
54 H LEU 7 H LEU 7 -3.237 -3.698 -1.871
55 HA LEU 7 HA LEU 7 -0.642 -4.443 -2.807
56 HB2 LEU 7 2HB LEU 7 -1.215 -3.102 -4.598
57 HB3 LEU 7 1HB LEU 7 -2.811 -3.225 -3.863
58 HG LEU 7 HG LEU 7 -1.935 -1.115 -2.480
59 HD11 LEU 7 1HD1 LEU 7 -0.733 -0.055 -4.863
60 HD12 LEU 7 2HD1 LEU 7 0.128 -1.523 -4.408
61 HD13 LEU 7 3HD1 LEU 7 -0.029 -0.201 -3.257
62 HD21 LEU 7 3HD2 LEU 7 -3.652 -0.219 -3.627
63 HD22 LEU 7 1HD2 LEU 7 -3.557 -1.540 -4.790
64 HD23 LEU 7 2HD2 LEU 7 -2.635 -0.062 -5.055
65 H MET 8 H MET 8 -1.629 -2.252 -0.313
66 HA MET 8 HA MET 8 0.646 -0.434 -0.445
67 HB2 MET 8 2HB MET 8 -1.387 -1.200 1.681
68 HB3 MET 8 1HB MET 8 -0.169 0.048 1.933
69 HG2 MET 8 2HG MET 8 -2.119 0.070 -0.378
70 HG3 MET 8 1HG MET 8 -2.402 0.920 1.142
71 HE1 MET 8 3HE MET 8 -1.047 2.923 -2.253
72 HE2 MET 8 1HE MET 8 -2.463 3.014 -1.199
73 HE3 MET 8 2HE MET 8 -2.046 1.497 -1.994
74 H LYS 9 H LYS 9 -0.186 -3.207 1.689
75 HA LYS 9 HA LYS 9 2.333 -3.348 3.038
76 HB2 LYS 9 2HB LYS 9 -0.069 -4.547 3.305
77 HB3 LYS 9 1HB LYS 9 0.742 -5.807 2.380
78 HG2 LYS 9 2HG LYS 9 2.514 -5.957 4.044
79 HG3 LYS 9 1HG LYS 9 1.835 -4.594 4.936
80 HD2 LYS 9 2HD LYS 9 -0.345 -6.102 4.955
81 HD3 LYS 9 1HD LYS 9 0.808 -7.407 4.697
82 HE2 LYS 9 2HE LYS 9 1.052 -5.380 6.953
83 HE3 LYS 9 1HE LYS 9 0.327 -6.986 7.133
84 HZ1 LYS 9 3HZ LYS 9 2.665 -7.085 7.671
85 HZ2 LYS 9 1HZ LYS 9 3.080 -6.408 6.171
86 HZ3 LYS 9 2HZ LYS 9 2.377 -7.950 6.241
87 H ALA 10 H ALA 10 1.077 -4.766 0.075
88 HA ALA 10 HA ALA 10 3.186 -6.455 -0.795
89 HB1 ALA 10 1HB ALA 10 1.303 -6.280 -2.242
90 HB2 ALA 10 2HB ALA 10 2.489 -5.273 -3.079
91 HB3 ALA 10 3HB ALA 10 1.247 -4.524 -2.078
92 H PHE 11 H PHE 11 2.513 -3.205 -1.787
93 HA PHE 11 HA PHE 11 4.868 -2.568 -3.064
94 HB2 PHE 11 2HB PHE 11 2.774 -1.293 -3.109
95 HB3 PHE 11 1HB PHE 11 3.045 -0.828 -1.428
96 HD1 PHE 11 1HD PHE 11 4.476 -0.730 -4.793
97 HD2 PHE 11 2HD PHE 11 4.618 0.749 -0.788
98 HE1 PHE 11 1HE PHE 11 6.037 1.085 -5.543
99 HE2 PHE 11 2HE PHE 11 6.168 2.593 -1.511
100 HZ PHE 11 HZ PHE 11 6.879 2.740 -3.899
101 H GLU 12 H GLU 12 3.981 -1.444 0.200
102 HA GLU 12 HA GLU 12 6.456 -0.297 0.713
103 HB2 GLU 12 2HB GLU 12 4.293 -1.546 2.408
104 HB3 GLU 12 1HB GLU 12 5.746 -0.931 3.190
105 HG2 GLU 12 2HG GLU 12 4.468 0.847 1.171
106 HG3 GLU 12 1HG GLU 12 3.612 0.633 2.699
107 H SER 13 H SER 13 5.395 -3.670 1.206
108 HA SER 13 HA SER 13 7.828 -4.730 2.317
109 HB2 SER 13 2HB SER 13 5.609 -5.916 0.605
110 HB3 SER 13 1HB SER 13 6.846 -6.891 1.399
111 HG SER 13 HG SER 13 4.734 -5.388 2.482
112 H LEU 14 H LEU 14 6.965 -3.639 -0.831
113 HA LEU 14 HA LEU 14 9.216 -4.976 -2.206
114 HB2 LEU 14 2HB LEU 14 7.382 -5.089 -3.624
115 HB3 LEU 14 1HB LEU 14 6.580 -3.758 -2.817
116 HG LEU 14 HG LEU 14 7.116 -3.338 -5.231
117 HD11 LEU 14 1HD1 LEU 14 8.750 -1.305 -3.896
118 HD12 LEU 14 2HD1 LEU 14 7.221 -1.639 -3.096
119 HD13 LEU 14 3HD1 LEU 14 7.237 -1.138 -4.782
120 HD21 LEU 14 3HD2 LEU 14 9.941 -3.551 -4.202
121 HD22 LEU 14 1HD2 LEU 14 9.548 -2.662 -5.666
122 HD23 LEU 14 2HD2 LEU 14 9.218 -4.391 -5.563
123 H LYS 15 H LYS 15 8.043 -1.851 -1.167
124 HA LYS 15 HA LYS 15 10.017 -0.096 -2.206
125 HB2 LYS 15 2HB LYS 15 8.334 1.005 -1.100
126 HB3 LYS 15 1HB LYS 15 7.947 -0.387 -0.140
127 HG2 LYS 15 2HG LYS 15 8.648 1.080 1.475
128 HG3 LYS 15 1HG LYS 15 10.141 0.218 1.125
129 HD2 LYS 15 2HD LYS 15 10.960 2.359 0.914
130 HD3 LYS 15 1HD LYS 15 10.349 2.158 -0.725
131 HE2 LYS 15 2HE LYS 15 9.625 4.326 0.352
132 HE3 LYS 15 1HE LYS 15 8.261 3.300 -0.130
133 HZ1 LYS 15 3HZ LYS 15 8.487 4.256 2.311
134 HZ2 LYS 15 1HZ LYS 15 9.405 2.855 2.527
135 HZ3 LYS 15 2HZ LYS 15 7.781 2.736 2.011
136 H SER 16 H SER 16 9.703 -2.052 0.628
137 HA SER 16 HA SER 16 11.818 -1.820 2.290
138 HB2 SER 16 2HB SER 16 10.486 -4.131 0.930
139 HB3 SER 16 1HB SER 16 11.813 -4.467 2.034
140 HG SER 16 HG SER 16 9.455 -2.953 2.619
141 H PHE 17 H PHE 17 12.118 -3.908 -0.571
142 HA PHE 17 HA PHE 17 15.061 -3.730 -0.433
143 HB2 PHE 17 2HB PHE 17 14.844 -5.613 -2.079
144 HB3 PHE 17 1HB PHE 17 14.001 -5.909 -0.571
145 HD1 PHE 17 2HD PHE 17 13.380 -4.423 -3.959
146 HD2 PHE 17 1HD PHE 17 11.848 -6.688 -0.658
147 HE1 PHE 17 2HE PHE 17 11.273 -4.787 -5.192
148 HE2 PHE 17 1HE PHE 17 9.734 -7.056 -1.888
149 HZ PHE 17 HZ PHE 17 9.454 -6.136 -4.180
150 HN1 NH2 18 1H PHE 17 13.054 -1.583 -1.705
151 HN2 NH2 18 2H PHE 17 13.779 -1.275 -3.209
Start of MODEL 16
1 H1 MET 1 1HT MET 1 -8.870 6.606 -1.457
2 H2 MET 1 2HT MET 1 -8.335 6.962 -3.029
3 H3 MET 1 3HT MET 1 -7.627 7.731 -1.693
4 HA MET 1 HA MET 1 -6.220 5.937 -2.630
5 HB2 MET 1 2HB MET 1 -6.507 6.784 -0.136
6 HB3 MET 1 1HB MET 1 -7.183 5.176 0.114
7 HG2 MET 1 2HG MET 1 -4.782 4.894 -1.425
8 HG3 MET 1 1HG MET 1 -4.438 5.929 -0.043
9 HE1 MET 1 3HE MET 1 -2.931 3.714 1.640
10 HE2 MET 1 1HE MET 1 -2.861 4.082 -0.095
11 HE3 MET 1 2HE MET 1 -3.121 2.429 0.450
12 H ALA 2 H ALA 2 -5.942 3.476 -2.417
13 HA ALA 2 HA ALA 2 -8.161 2.087 -3.636
14 HB1 ALA 2 1HB ALA 2 -5.641 1.618 -3.759
15 HB2 ALA 2 2HB ALA 2 -6.675 0.207 -3.538
16 HB3 ALA 2 3HB ALA 2 -5.801 0.885 -2.164
17 H THR 3 H THR 3 -9.824 0.966 -2.672
18 HA THR 3 HA THR 3 -10.244 1.198 0.198
19 HB THR 3 HB THR 3 -12.046 -0.652 -0.990
20 HG1 THR 3 1HG THR 3 -12.145 -0.108 -3.013
21 HG21 THR 3 3HG2 THR 3 -12.050 2.184 -0.095
22 HG22 THR 3 1HG2 THR 3 -13.064 0.833 0.421
23 HG23 THR 3 2HG2 THR 3 -13.400 1.659 -1.098
24 H LEU 4 H LEU 4 -8.951 -1.230 -1.971
25 HA LEU 4 HA LEU 4 -9.283 -3.478 -0.175
26 HB2 LEU 4 2HB LEU 4 -7.940 -2.848 -2.755
27 HB3 LEU 4 1HB LEU 4 -7.342 -4.254 -1.876
28 HG LEU 4 HG LEU 4 -10.232 -4.224 -1.842
29 HD11 LEU 4 1HD1 LEU 4 -10.830 -3.975 -4.027
30 HD12 LEU 4 2HD1 LEU 4 -9.338 -4.709 -4.621
31 HD13 LEU 4 3HD1 LEU 4 -9.356 -3.015 -4.126
32 HD21 LEU 4 3HD2 LEU 4 -9.650 -6.422 -3.202
33 HD22 LEU 4 1HD2 LEU 4 -9.243 -6.299 -1.488
34 HD23 LEU 4 2HD2 LEU 4 -8.004 -6.034 -2.711
35 H GLU 5 H GLU 5 -6.850 -0.977 -0.497
36 HA GLU 5 HA GLU 5 -4.960 -0.424 0.740
37 HB2 GLU 5 2HB GLU 5 -5.487 -2.556 2.719
38 HB3 GLU 5 1HB GLU 5 -5.162 -0.846 2.962
39 HG2 GLU 5 2HG GLU 5 -7.596 -0.720 1.770
40 HG3 GLU 5 1HG GLU 5 -7.737 -2.259 2.622
41 H LYS 6 H LYS 6 -5.473 -3.937 0.734
42 HA LYS 6 HA LYS 6 -3.230 -5.232 1.193
43 HB2 LYS 6 2HB LYS 6 -5.241 -5.362 -0.945
44 HB3 LYS 6 1HB LYS 6 -3.749 -6.207 -1.329
45 HG2 LYS 6 2HG LYS 6 -4.483 -7.925 -0.067
46 HG3 LYS 6 1HG LYS 6 -4.301 -6.879 1.344
47 HD2 LYS 6 2HD LYS 6 -6.738 -6.273 -0.143
48 HD3 LYS 6 1HD LYS 6 -6.695 -7.952 0.386
49 HE2 LYS 6 2HE LYS 6 -6.084 -5.642 2.252
50 HE3 LYS 6 1HE LYS 6 -7.707 -6.330 2.066
51 HZ1 LYS 6 3HZ LYS 6 -5.549 -7.367 3.539
52 HZ2 LYS 6 1HZ LYS 6 -5.895 -8.452 2.291
53 HZ3 LYS 6 2HZ LYS 6 -7.114 -7.993 3.378
54 H LEU 7 H LEU 7 -3.437 -3.427 -1.906
55 HA LEU 7 HA LEU 7 -0.895 -4.056 -2.913
56 HB2 LEU 7 2HB LEU 7 -1.271 -2.267 -4.354
57 HB3 LEU 7 1HB LEU 7 -2.903 -2.562 -3.763
58 HG LEU 7 HG LEU 7 -2.086 -0.835 -1.859
59 HD11 LEU 7 1HD1 LEU 7 -0.358 0.534 -2.444
60 HD12 LEU 7 2HD1 LEU 7 -0.846 0.587 -4.138
61 HD13 LEU 7 3HD1 LEU 7 0.095 -0.775 -3.533
62 HD21 LEU 7 3HD2 LEU 7 -3.985 -0.763 -3.678
63 HD22 LEU 7 1HD2 LEU 7 -2.884 0.332 -4.513
64 HD23 LEU 7 2HD2 LEU 7 -3.470 0.730 -2.898
65 H MET 8 H MET 8 -1.593 -2.229 -0.026
66 HA MET 8 HA MET 8 0.869 -0.682 -0.037
67 HB2 MET 8 2HB MET 8 0.108 0.069 2.087
68 HB3 MET 8 1HB MET 8 -1.367 -0.243 1.183
69 HG2 MET 8 2HG MET 8 -1.825 -2.216 2.380
70 HG3 MET 8 1HG MET 8 -0.166 -2.364 2.959
71 HE1 MET 8 3HE MET 8 -1.825 1.314 3.051
72 HE2 MET 8 1HE MET 8 -3.129 0.913 4.173
73 HE3 MET 8 2HE MET 8 -2.998 0.067 2.633
74 H LYS 9 H LYS 9 -0.147 -3.761 1.571
75 HA LYS 9 HA LYS 9 2.397 -4.202 2.856
76 HB2 LYS 9 2HB LYS 9 0.057 -5.367 3.164
77 HB3 LYS 9 1HB LYS 9 0.578 -6.391 1.826
78 HG2 LYS 9 2HG LYS 9 2.771 -6.242 3.595
79 HG3 LYS 9 1HG LYS 9 1.356 -6.525 4.605
80 HD2 LYS 9 2HD LYS 9 0.728 -8.354 2.893
81 HD3 LYS 9 1HD LYS 9 2.386 -8.198 2.306
82 HE2 LYS 9 2HE LYS 9 1.615 -8.817 5.189
83 HE3 LYS 9 1HE LYS 9 2.201 -10.005 4.009
84 HZ1 LYS 9 3HZ LYS 9 3.631 -7.696 5.164
85 HZ2 LYS 9 1HZ LYS 9 4.100 -8.324 3.661
86 HZ3 LYS 9 2HZ LYS 9 4.145 -9.310 5.038
87 H ALA 10 H ALA 10 1.036 -4.923 -0.273
88 HA ALA 10 HA ALA 10 3.027 -6.526 -1.533
89 HB1 ALA 10 1HB ALA 10 2.189 -4.368 -3.241
90 HB2 ALA 10 2HB ALA 10 0.817 -4.766 -2.210
91 HB3 ALA 10 3HB ALA 10 1.548 -6.008 -3.231
92 H PHE 11 H PHE 11 2.493 -3.109 -1.671
93 HA PHE 11 HA PHE 11 4.930 -2.398 -2.882
94 HB2 PHE 11 2HB PHE 11 2.817 -1.158 -2.906
95 HB3 PHE 11 1HB PHE 11 3.051 -0.793 -1.192
96 HD1 PHE 11 2HD PHE 11 4.522 -0.535 -4.517
97 HD2 PHE 11 1HD PHE 11 4.667 0.639 -0.422
98 HE1 PHE 11 2HE PHE 11 6.162 1.287 -5.114
99 HE2 PHE 11 1HE PHE 11 6.316 2.452 -0.967
100 HZ PHE 11 HZ PHE 11 7.059 2.763 -3.321
101 H GLU 12 H GLU 12 3.837 -1.732 0.421
102 HA GLU 12 HA GLU 12 6.189 -0.540 1.248
103 HB2 GLU 12 2HB GLU 12 4.047 -2.193 2.571
104 HB3 GLU 12 1HB GLU 12 5.436 -1.710 3.532
105 HG2 GLU 12 2HG GLU 12 3.995 0.332 1.865
106 HG3 GLU 12 1HG GLU 12 3.338 -0.135 3.431
107 H SER 13 H SER 13 5.370 -3.947 0.880
108 HA SER 13 HA SER 13 7.650 -5.185 2.034
109 HB2 SER 13 2HB SER 13 5.610 -5.758 -0.072
110 HB3 SER 13 1HB SER 13 7.037 -6.786 -0.066
111 HG SER 13 HG SER 13 4.941 -6.627 1.702
112 H LEU 14 H LEU 14 7.188 -3.564 -1.080
113 HA LEU 14 HA LEU 14 9.778 -4.250 -2.239
114 HB2 LEU 14 2HB LEU 14 7.756 -2.048 -2.756
115 HB3 LEU 14 1HB LEU 14 9.139 -2.382 -3.794
116 HG LEU 14 HG LEU 14 7.546 -4.772 -3.230
117 HD11 LEU 14 1HD1 LEU 14 5.978 -3.466 -5.148
118 HD12 LEU 14 2HD1 LEU 14 6.219 -2.276 -3.871
119 HD13 LEU 14 3HD1 LEU 14 5.517 -3.848 -3.493
120 HD21 LEU 14 3HD2 LEU 14 8.237 -5.284 -5.347
121 HD22 LEU 14 1HD2 LEU 14 9.349 -3.928 -5.116
122 HD23 LEU 14 2HD2 LEU 14 7.822 -3.684 -5.971
123 H LYS 15 H LYS 15 8.358 -1.626 -0.450
124 HA LYS 15 HA LYS 15 10.488 0.234 -0.374
125 HB2 LYS 15 2HB LYS 15 8.554 1.020 0.599
126 HB3 LYS 15 1HB LYS 15 7.983 -0.594 0.923
127 HG2 LYS 15 2HG LYS 15 8.611 -0.497 3.062
128 HG3 LYS 15 1HG LYS 15 10.209 0.128 2.653
129 HD2 LYS 15 2HD LYS 15 9.206 2.397 2.359
130 HD3 LYS 15 1HD LYS 15 7.655 1.746 2.885
131 HE2 LYS 15 2HE LYS 15 10.201 1.721 4.554
132 HE3 LYS 15 1HE LYS 15 8.842 2.840 4.773
133 HZ1 LYS 15 3HZ LYS 15 8.375 1.075 6.218
134 HZ2 LYS 15 1HZ LYS 15 8.868 -0.104 5.110
135 HZ3 LYS 15 2HZ LYS 15 7.406 0.741 4.857
136 H SER 16 H SER 16 9.548 -2.514 1.561
137 HA SER 16 HA SER 16 11.659 -2.667 3.458
138 HB2 SER 16 2HB SER 16 9.631 -4.491 2.230
139 HB3 SER 16 1HB SER 16 10.888 -5.211 3.232
140 HG SER 16 HG SER 16 8.833 -3.406 3.891
141 H PHE 17 H PHE 17 11.332 -4.975 0.733
142 HA PHE 17 HA PHE 17 14.255 -5.356 0.768
143 HB2 PHE 17 2HB PHE 17 13.649 -7.123 -0.942
144 HB3 PHE 17 1HB PHE 17 12.925 -7.323 0.638
145 HD1 PHE 17 2HD PHE 17 12.140 -5.696 -2.681
146 HD2 PHE 17 1HD PHE 17 10.642 -7.820 0.742
147 HE1 PHE 17 2HE PHE 17 9.870 -5.766 -3.700
148 HE2 PHE 17 1HE PHE 17 8.391 -7.896 -0.286
149 HZ PHE 17 HZ PHE 17 8.006 -6.884 -2.512
150 HN1 NH2 18 1H PHE 17 13.518 -2.717 -0.180
151 HN2 NH2 18 2H PHE 17 13.984 -2.620 -1.806
Start of MODEL 17
1 H1 MET 1 1HT MET 1 -11.814 -2.058 -7.511
2 H2 MET 1 2HT MET 1 -13.433 -1.629 -7.779
3 H3 MET 1 3HT MET 1 -12.927 -2.111 -6.234
4 HA MET 1 HA MET 1 -12.101 0.365 -7.659
5 HB2 MET 1 2HB MET 1 -14.408 -0.276 -6.269
6 HB3 MET 1 1HB MET 1 -13.408 0.469 -5.026
7 HG2 MET 1 2HG MET 1 -13.012 2.399 -6.574
8 HG3 MET 1 1HG MET 1 -14.156 1.677 -7.708
9 HE1 MET 1 3HE MET 1 -16.833 1.606 -7.329
10 HE2 MET 1 1HE MET 1 -17.430 1.475 -5.668
11 HE3 MET 1 2HE MET 1 -16.203 0.358 -6.256
12 H ALA 2 H ALA 2 -11.721 1.544 -4.927
13 HA ALA 2 HA ALA 2 -8.948 0.751 -4.519
14 HB1 ALA 2 1HB ALA 2 -9.412 2.350 -2.463
15 HB2 ALA 2 2HB ALA 2 -10.945 2.639 -3.283
16 HB3 ALA 2 3HB ALA 2 -9.426 3.009 -4.098
17 H THR 3 H THR 3 -10.143 -1.610 -4.217
18 HA THR 3 HA THR 3 -10.717 -2.062 -1.325
19 HB THR 3 HB THR 3 -10.967 -4.146 -3.474
20 HG1 THR 3 1HG THR 3 -12.883 -2.084 -3.098
21 HG21 THR 3 3HG2 THR 3 -11.676 -4.937 -1.398
22 HG22 THR 3 1HG2 THR 3 -13.191 -4.386 -2.113
23 HG23 THR 3 2HG2 THR 3 -12.360 -3.381 -0.921
24 H LEU 4 H LEU 4 -8.278 -2.604 -3.753
25 HA LEU 4 HA LEU 4 -7.003 -4.872 -2.398
26 HB2 LEU 4 2HB LEU 4 -6.519 -3.122 -4.798
27 HB3 LEU 4 1HB LEU 4 -5.178 -4.080 -4.175
28 HG LEU 4 HG LEU 4 -6.490 -5.250 -5.966
29 HD11 LEU 4 1HD1 LEU 4 -6.763 -6.617 -3.277
30 HD12 LEU 4 2HD1 LEU 4 -5.226 -6.449 -4.125
31 HD13 LEU 4 3HD1 LEU 4 -6.536 -7.379 -4.852
32 HD21 LEU 4 3HD2 LEU 4 -8.726 -6.093 -5.438
33 HD22 LEU 4 1HD2 LEU 4 -8.720 -4.333 -5.332
34 HD23 LEU 4 2HD2 LEU 4 -8.678 -5.305 -3.862
35 H GLU 5 H GLU 5 -7.275 -2.815 -0.513
36 HA GLU 5 HA GLU 5 -5.157 -0.941 -0.288
37 HB2 GLU 5 2HB GLU 5 -5.693 -1.203 2.219
38 HB3 GLU 5 1HB GLU 5 -7.048 -0.801 1.168
39 HG2 GLU 5 2HG GLU 5 -8.123 -2.661 1.821
40 HG3 GLU 5 1HG GLU 5 -6.784 -3.660 1.259
41 H LYS 6 H LYS 6 -5.199 -4.403 0.432
42 HA LYS 6 HA LYS 6 -2.868 -4.624 2.023
43 HB2 LYS 6 2HB LYS 6 -4.705 -6.284 0.673
44 HB3 LYS 6 1HB LYS 6 -3.119 -6.747 0.061
45 HG2 LYS 6 2HG LYS 6 -3.079 -8.053 1.937
46 HG3 LYS 6 1HG LYS 6 -2.553 -6.560 2.707
47 HD2 LYS 6 2HD LYS 6 -5.318 -6.299 2.719
48 HD3 LYS 6 1HD LYS 6 -5.087 -8.020 3.005
49 HE2 LYS 6 2HE LYS 6 -5.090 -6.963 5.173
50 HE3 LYS 6 1HE LYS 6 -3.397 -7.361 4.822
51 HZ1 LYS 6 3HZ LYS 6 -3.846 -5.002 5.549
52 HZ2 LYS 6 1HZ LYS 6 -4.626 -4.763 4.060
53 HZ3 LYS 6 2HZ LYS 6 -2.969 -5.169 4.112
54 H LEU 7 H LEU 7 -3.217 -4.274 -1.465
55 HA LEU 7 HA LEU 7 -0.634 -4.914 -2.361
56 HB2 LEU 7 2HB LEU 7 -1.372 -3.942 -4.307
57 HB3 LEU 7 1HB LEU 7 -2.913 -3.947 -3.459
58 HG LEU 7 HG LEU 7 -2.024 -1.590 -2.554
59 HD11 LEU 7 1HD1 LEU 7 -0.045 -1.041 -3.514
60 HD12 LEU 7 2HD1 LEU 7 -0.969 -0.766 -4.990
61 HD13 LEU 7 3HD1 LEU 7 -0.184 -2.323 -4.719
62 HD21 LEU 7 3HD2 LEU 7 -2.937 -0.737 -4.973
63 HD22 LEU 7 1HD2 LEU 7 -3.992 -1.326 -3.687
64 HD23 LEU 7 2HD2 LEU 7 -3.503 -2.408 -4.991
65 H MET 8 H MET 8 -1.623 -2.252 -0.326
66 HA MET 8 HA MET 8 0.619 -0.509 -0.941
67 HB2 MET 8 2HB MET 8 -0.644 0.895 0.316
68 HB3 MET 8 1HB MET 8 -1.798 -0.417 0.508
69 HG2 MET 8 2HG MET 8 -0.774 -1.112 2.576
70 HG3 MET 8 1HG MET 8 0.588 -0.018 2.332
71 HE1 MET 8 3HE MET 8 -0.856 3.471 2.698
72 HE2 MET 8 1HE MET 8 -0.615 2.539 1.217
73 HE3 MET 8 2HE MET 8 0.568 2.447 2.516
74 H LYS 9 H LYS 9 -0.040 -2.695 1.863
75 HA LYS 9 HA LYS 9 2.603 -2.438 2.958
76 HB2 LYS 9 2HB LYS 9 0.413 -3.414 3.999
77 HB3 LYS 9 1HB LYS 9 0.846 -4.902 3.157
78 HG2 LYS 9 2HG LYS 9 1.662 -4.849 5.527
79 HG3 LYS 9 1HG LYS 9 2.966 -5.013 4.353
80 HD2 LYS 9 2HD LYS 9 3.726 -3.377 5.902
81 HD3 LYS 9 1HD LYS 9 3.206 -2.461 4.495
82 HE2 LYS 9 2HE LYS 9 1.033 -2.943 6.423
83 HE3 LYS 9 1HE LYS 9 2.362 -1.969 7.080
84 HZ1 LYS 9 3HZ LYS 9 2.165 -0.861 4.679
85 HZ2 LYS 9 1HZ LYS 9 1.215 -0.343 5.987
86 HZ3 LYS 9 2HZ LYS 9 0.557 -1.400 4.844
87 H ALA 10 H ALA 10 1.131 -4.514 0.563
88 HA ALA 10 HA ALA 10 3.175 -6.417 0.004
89 HB1 ALA 10 1HB ALA 10 2.280 -5.525 -2.463
90 HB2 ALA 10 2HB ALA 10 0.994 -4.959 -1.403
91 HB3 ALA 10 3HB ALA 10 1.385 -6.675 -1.469
92 H PHE 11 H PHE 11 2.422 -3.467 -1.643
93 HA PHE 11 HA PHE 11 4.696 -3.114 -3.175
94 HB2 PHE 11 2HB PHE 11 2.667 -1.842 -3.429
95 HB3 PHE 11 1HB PHE 11 2.842 -1.180 -1.806
96 HD1 PHE 11 2HD PHE 11 4.576 -1.481 -5.051
97 HD2 PHE 11 1HD PHE 11 4.137 0.608 -1.354
98 HE1 PHE 11 2HE PHE 11 6.095 0.320 -5.917
99 HE2 PHE 11 1HE PHE 11 5.668 2.420 -2.178
100 HZ PHE 11 HZ PHE 11 6.650 2.265 -4.466
101 H GLU 12 H GLU 12 3.963 -1.492 -0.096
102 HA GLU 12 HA GLU 12 6.394 -0.180 0.157
103 HB2 GLU 12 2HB GLU 12 4.556 -1.480 2.214
104 HB3 GLU 12 1HB GLU 12 5.875 -0.420 2.679
105 HG2 GLU 12 2HG GLU 12 4.898 1.424 1.384
106 HG3 GLU 12 1HG GLU 12 3.604 0.364 0.825
107 H SER 13 H SER 13 5.524 -3.482 1.250
108 HA SER 13 HA SER 13 8.108 -4.279 2.229
109 HB2 SER 13 2HB SER 13 5.744 -5.762 1.029
110 HB3 SER 13 1HB SER 13 7.105 -6.581 1.793
111 HG SER 13 HG SER 13 5.075 -5.001 2.891
112 H LEU 14 H LEU 14 6.884 -3.765 -0.936
113 HA LEU 14 HA LEU 14 8.988 -5.329 -2.298
114 HB2 LEU 14 2HB LEU 14 6.991 -5.704 -3.409
115 HB3 LEU 14 1HB LEU 14 6.288 -4.211 -2.825
116 HG LEU 14 HG LEU 14 6.556 -4.324 -5.305
117 HD11 LEU 14 1HD1 LEU 14 8.346 -2.144 -4.432
118 HD12 LEU 14 2HD1 LEU 14 6.766 -2.243 -3.657
119 HD13 LEU 14 3HD1 LEU 14 6.880 -2.097 -5.405
120 HD21 LEU 14 3HD2 LEU 14 9.467 -4.454 -4.544
121 HD22 LEU 14 1HD2 LEU 14 8.945 -3.770 -6.082
122 HD23 LEU 14 2HD2 LEU 14 8.578 -5.448 -5.695
123 H LYS 15 H LYS 15 7.913 -2.074 -1.663
124 HA LYS 15 HA LYS 15 9.650 -0.501 -3.256
125 HB2 LYS 15 2HB LYS 15 8.118 0.756 -2.071
126 HB3 LYS 15 1HB LYS 15 7.953 -0.457 -0.839
127 HG2 LYS 15 2HG LYS 15 9.402 0.554 0.532
128 HG3 LYS 15 1HG LYS 15 10.535 0.901 -0.769
129 HD2 LYS 15 2HD LYS 15 8.340 2.554 -1.311
130 HD3 LYS 15 1HD LYS 15 8.542 2.656 0.438
131 HE2 LYS 15 2HE LYS 15 9.950 4.389 -0.558
132 HE3 LYS 15 1HE LYS 15 11.032 3.103 0.013
133 HZ1 LYS 15 3HZ LYS 15 10.029 2.547 -2.606
134 HZ2 LYS 15 1HZ LYS 15 11.628 2.610 -2.063
135 HZ3 LYS 15 2HZ LYS 15 10.849 4.026 -2.571
136 H SER 16 H SER 16 9.823 -1.974 -0.131
137 HA SER 16 HA SER 16 12.188 -1.424 1.076
138 HB2 SER 16 2HB SER 16 10.581 -3.876 0.549
139 HB3 SER 16 1HB SER 16 12.126 -4.097 1.358
140 HG SER 16 HG SER 16 9.811 -2.775 2.197
141 H PHE 17 H PHE 17 11.986 -4.010 -1.369
142 HA PHE 17 HA PHE 17 14.929 -3.863 -1.758
143 HB2 PHE 17 2HB PHE 17 14.507 -6.084 -2.820
144 HB3 PHE 17 1HB PHE 17 13.949 -6.018 -1.157
145 HD1 PHE 17 1HD PHE 17 12.746 -5.443 -4.658
146 HD2 PHE 17 2HD PHE 17 11.789 -6.703 -0.672
147 HE1 PHE 17 1HE PHE 17 10.488 -6.069 -5.404
148 HE2 PHE 17 2HE PHE 17 9.517 -7.349 -1.420
149 HZ PHE 17 HZ PHE 17 8.875 -7.063 -3.806
150 HN1 NH2 18 1H PHE 17 15.441 -4.553 -4.267
151 HN2 NH2 18 2H PHE 17 14.651 -3.581 -5.413
Start of MODEL 18
1 H1 MET 1 1HT MET 1 -11.248 5.822 0.361
2 H2 MET 1 2HT MET 1 -12.148 6.532 -0.890
3 H3 MET 1 3HT MET 1 -10.526 6.086 -1.141
4 HA MET 1 HA MET 1 -12.750 4.187 -0.608
5 HB2 MET 1 2HB MET 1 -12.222 5.674 -2.862
6 HB3 MET 1 1HB MET 1 -11.275 4.219 -3.166
7 HG2 MET 1 2HG MET 1 -14.195 4.198 -2.356
8 HG3 MET 1 1HG MET 1 -13.636 4.091 -4.024
9 HE1 MET 1 3HE MET 1 -15.253 2.409 -3.855
10 HE2 MET 1 1HE MET 1 -15.230 0.956 -2.843
11 HE3 MET 1 2HE MET 1 -14.455 0.946 -4.424
12 H ALA 2 H ALA 2 -11.901 2.290 0.220
13 HA ALA 2 HA ALA 2 -9.089 1.553 -0.499
14 HB1 ALA 2 1HB ALA 2 -9.324 2.660 1.759
15 HB2 ALA 2 2HB ALA 2 -8.689 1.017 1.844
16 HB3 ALA 2 3HB ALA 2 -10.380 1.332 2.244
17 H THR 3 H THR 3 -10.243 0.071 -2.037
18 HA THR 3 HA THR 3 -11.957 -2.043 -0.948
19 HB THR 3 HB THR 3 -11.411 -2.846 -3.434
20 HG1 THR 3 1HG THR 3 -10.409 -1.417 -4.624
21 HG21 THR 3 3HG2 THR 3 -13.052 -0.472 -2.565
22 HG22 THR 3 1HG2 THR 3 -13.601 -2.109 -2.928
23 HG23 THR 3 2HG2 THR 3 -13.075 -1.047 -4.235
24 H LEU 4 H LEU 4 -8.771 -2.049 -2.618
25 HA LEU 4 HA LEU 4 -8.026 -4.404 -0.937
26 HB2 LEU 4 2HB LEU 4 -7.833 -3.795 -3.864
27 HB3 LEU 4 1HB LEU 4 -6.611 -4.843 -3.140
28 HG LEU 4 HG LEU 4 -9.605 -5.279 -2.911
29 HD11 LEU 4 1HD1 LEU 4 -8.117 -7.294 -4.377
30 HD12 LEU 4 2HD1 LEU 4 -7.939 -5.709 -5.131
31 HD13 LEU 4 3HD1 LEU 4 -9.546 -6.384 -4.870
32 HD21 LEU 4 3HD2 LEU 4 -9.116 -7.257 -1.769
33 HD22 LEU 4 1HD2 LEU 4 -7.878 -6.172 -1.136
34 HD23 LEU 4 2HD2 LEU 4 -7.470 -7.335 -2.397
35 H GLU 5 H GLU 5 -7.324 -2.057 0.175
36 HA GLU 5 HA GLU 5 -4.937 -0.793 -0.789
37 HB2 GLU 5 2HB GLU 5 -4.818 0.075 1.527
38 HB3 GLU 5 1HB GLU 5 -6.459 0.161 0.894
39 HG2 GLU 5 2HG GLU 5 -7.226 -1.557 2.271
40 HG3 GLU 5 1HG GLU 5 -5.629 -2.288 2.424
41 H LYS 6 H LYS 6 -5.416 -3.887 0.651
42 HA LYS 6 HA LYS 6 -3.123 -4.451 2.130
43 HB2 LYS 6 2HB LYS 6 -5.182 -5.823 0.730
44 HB3 LYS 6 1HB LYS 6 -3.660 -6.569 0.249
45 HG2 LYS 6 2HG LYS 6 -3.086 -7.096 2.497
46 HG3 LYS 6 1HG LYS 6 -4.311 -6.010 3.149
47 HD2 LYS 6 2HD LYS 6 -5.964 -7.554 2.953
48 HD3 LYS 6 1HD LYS 6 -5.397 -8.104 1.377
49 HE2 LYS 6 2HE LYS 6 -3.931 -8.802 3.942
50 HE3 LYS 6 1HE LYS 6 -5.216 -9.825 3.270
51 HZ1 LYS 6 3HZ LYS 6 -2.956 -8.854 1.617
52 HZ2 LYS 6 1HZ LYS 6 -4.047 -10.104 1.273
53 HZ3 LYS 6 2HZ LYS 6 -2.875 -10.310 2.478
54 H LEU 7 H LEU 7 -3.397 -4.202 -1.399
55 HA LEU 7 HA LEU 7 -0.883 -5.239 -2.161
56 HB2 LEU 7 2HB LEU 7 -1.328 -4.161 -4.217
57 HB3 LEU 7 1HB LEU 7 -2.933 -4.373 -3.516
58 HG LEU 7 HG LEU 7 -2.302 -1.959 -2.461
59 HD11 LEU 7 1HD1 LEU 7 -0.112 -2.189 -3.923
60 HD12 LEU 7 2HD1 LEU 7 -0.956 -0.642 -3.842
61 HD13 LEU 7 3HD1 LEU 7 -1.185 -1.695 -5.233
62 HD21 LEU 7 3HD2 LEU 7 -3.761 -1.012 -4.119
63 HD22 LEU 7 1HD2 LEU 7 -4.296 -2.672 -3.858
64 HD23 LEU 7 2HD2 LEU 7 -3.341 -2.268 -5.283
65 H MET 8 H MET 8 -1.578 -2.401 -0.295
66 HA MET 8 HA MET 8 0.776 -0.856 -1.045
67 HB2 MET 8 2HB MET 8 -1.169 -0.821 1.290
68 HB3 MET 8 1HB MET 8 0.112 0.375 1.096
69 HG2 MET 8 2HG MET 8 -1.883 -0.191 -1.105
70 HG3 MET 8 1HG MET 8 -2.199 0.999 0.158
71 HE1 MET 8 3HE MET 8 -2.136 3.331 -1.586
72 HE2 MET 8 1HE MET 8 -0.720 4.020 -0.779
73 HE3 MET 8 2HE MET 8 -1.847 3.010 0.121
74 H LYS 9 H LYS 9 -0.052 -2.874 1.849
75 HA LYS 9 HA LYS 9 2.522 -2.694 3.093
76 HB2 LYS 9 2HB LYS 9 0.179 -3.757 3.808
77 HB3 LYS 9 1HB LYS 9 0.889 -5.216 3.127
78 HG2 LYS 9 2HG LYS 9 1.871 -5.509 5.135
79 HG3 LYS 9 1HG LYS 9 2.946 -4.183 4.684
80 HD2 LYS 9 2HD LYS 9 1.060 -2.636 5.588
81 HD3 LYS 9 1HD LYS 9 0.451 -4.096 6.374
82 HE2 LYS 9 2HE LYS 9 2.522 -4.396 7.591
83 HE3 LYS 9 1HE LYS 9 3.300 -3.073 6.703
84 HZ1 LYS 9 3HZ LYS 9 2.531 -2.061 8.637
85 HZ2 LYS 9 1HZ LYS 9 1.074 -2.929 8.646
86 HZ3 LYS 9 2HZ LYS 9 1.320 -1.693 7.509
87 H ALA 10 H ALA 10 1.186 -4.810 0.647
88 HA ALA 10 HA ALA 10 3.325 -6.643 0.178
89 HB1 ALA 10 1HB ALA 10 1.192 -5.210 -1.407
90 HB2 ALA 10 2HB ALA 10 1.328 -6.939 -1.084
91 HB3 ALA 10 3HB ALA 10 2.379 -6.176 -2.276
92 H PHE 11 H PHE 11 2.424 -3.864 -1.705
93 HA PHE 11 HA PHE 11 4.708 -3.543 -3.232
94 HB2 PHE 11 2HB PHE 11 2.566 -2.470 -3.623
95 HB3 PHE 11 1HB PHE 11 2.736 -1.556 -2.126
96 HD1 PHE 11 1HD PHE 11 4.507 -2.320 -5.274
97 HD2 PHE 11 2HD PHE 11 3.866 0.378 -2.024
98 HE1 PHE 11 1HE PHE 11 5.935 -0.598 -6.434
99 HE2 PHE 11 2HE PHE 11 5.272 2.120 -3.155
100 HZ PHE 11 HZ PHE 11 6.316 1.615 -5.354
101 H GLU 12 H GLU 12 3.802 -1.568 -0.418
102 HA GLU 12 HA GLU 12 6.142 -0.087 -0.339
103 HB2 GLU 12 2HB GLU 12 4.101 -1.006 1.659
104 HB3 GLU 12 1HB GLU 12 5.556 -0.255 2.301
105 HG2 GLU 12 2HG GLU 12 4.539 1.245 0.029
106 HG3 GLU 12 1HG GLU 12 3.315 1.076 1.291
107 H SER 13 H SER 13 5.470 -3.272 1.145
108 HA SER 13 HA SER 13 8.033 -3.715 2.352
109 HB2 SER 13 2HB SER 13 5.837 -5.465 1.204
110 HB3 SER 13 1HB SER 13 7.255 -6.166 1.980
111 HG SER 13 HG SER 13 5.097 -4.813 3.048
112 H LEU 14 H LEU 14 7.008 -3.646 -0.933
113 HA LEU 14 HA LEU 14 9.396 -5.064 -1.965
114 HB2 LEU 14 2HB LEU 14 7.562 -5.840 -3.154
115 HB3 LEU 14 1HB LEU 14 6.605 -4.427 -2.755
116 HG LEU 14 HG LEU 14 7.023 -4.708 -5.194
117 HD11 LEU 14 1HD1 LEU 14 6.889 -2.440 -3.773
118 HD12 LEU 14 2HD1 LEU 14 7.045 -2.460 -5.524
119 HD13 LEU 14 3HD1 LEU 14 8.469 -2.220 -4.517
120 HD21 LEU 14 3HD2 LEU 14 9.889 -4.091 -4.454
121 HD22 LEU 14 1HD2 LEU 14 9.253 -4.164 -6.089
122 HD23 LEU 14 2HD2 LEU 14 9.303 -5.618 -5.099
123 H LYS 15 H LYS 15 7.825 -1.945 -1.820
124 HA LYS 15 HA LYS 15 9.466 -0.359 -3.497
125 HB2 LYS 15 2HB LYS 15 7.710 0.831 -2.615
126 HB3 LYS 15 1HB LYS 15 7.559 -0.245 -1.263
127 HG2 LYS 15 2HG LYS 15 8.706 1.097 0.101
128 HG3 LYS 15 1HG LYS 15 9.928 1.456 -1.115
129 HD2 LYS 15 2HD LYS 15 8.347 3.042 -2.203
130 HD3 LYS 15 1HD LYS 15 7.170 2.713 -0.936
131 HE2 LYS 15 2HE LYS 15 9.956 3.808 -0.407
132 HE3 LYS 15 1HE LYS 15 8.492 4.805 -0.518
133 HZ1 LYS 15 3HZ LYS 15 8.615 4.292 1.728
134 HZ2 LYS 15 1HZ LYS 15 9.146 2.705 1.452
135 HZ3 LYS 15 2HZ LYS 15 7.521 3.123 1.150
136 H SER 16 H SER 16 9.596 -1.444 -0.219
137 HA SER 16 HA SER 16 11.735 -0.373 1.083
138 HB2 SER 16 2HB SER 16 10.400 -2.979 0.831
139 HB3 SER 16 1HB SER 16 12.029 -3.106 1.479
140 HG SER 16 HG SER 16 10.007 -1.326 2.426
141 H PHE 17 H PHE 17 12.280 -3.400 -0.656
142 HA PHE 17 HA PHE 17 15.123 -2.846 -0.955
143 HB2 PHE 17 2HB PHE 17 15.047 -5.139 -1.967
144 HB3 PHE 17 1HB PHE 17 14.304 -5.063 -0.379
145 HD1 PHE 17 2HD PHE 17 13.387 -4.667 -3.992
146 HD2 PHE 17 1HD PHE 17 12.244 -6.053 -0.097
147 HE1 PHE 17 2HE PHE 17 11.293 -5.584 -4.931
148 HE2 PHE 17 1HE PHE 17 10.154 -6.976 -1.029
149 HZ PHE 17 HZ PHE 17 9.690 -6.779 -3.462
150 HN1 NH2 18 1H PHE 17 15.755 -3.887 -3.473
151 HN2 NH2 18 2H PHE 17 15.134 -2.885 -4.691
Start of MODEL 19
1 H1 MET 1 1HT MET 1 -6.392 -4.578 -9.525
2 H2 MET 1 2HT MET 1 -4.835 -4.252 -10.097
3 H3 MET 1 3HT MET 1 -5.299 -3.732 -8.546
4 HA MET 1 HA MET 1 -5.394 -6.607 -9.153
5 HB2 MET 1 2HB MET 1 -2.976 -4.856 -8.663
6 HB3 MET 1 1HB MET 1 -2.961 -6.571 -8.267
7 HG2 MET 1 2HG MET 1 -3.335 -5.308 -10.989
8 HG3 MET 1 1HG MET 1 -2.049 -6.394 -10.474
9 HE1 MET 1 3HE MET 1 -5.260 -7.609 -12.987
10 HE2 MET 1 1HE MET 1 -3.922 -6.456 -13.008
11 HE3 MET 1 2HE MET 1 -5.426 -6.055 -12.180
12 H ALA 2 H ALA 2 -5.645 -7.723 -7.167
13 HA ALA 2 HA ALA 2 -6.210 -7.998 -4.894
14 HB1 ALA 2 1HB ALA 2 -3.753 -6.940 -5.027
15 HB2 ALA 2 2HB ALA 2 -4.565 -7.171 -3.478
16 HB3 ALA 2 3HB ALA 2 -4.559 -5.581 -4.242
17 H THR 3 H THR 3 -6.577 -6.014 -2.880
18 HA THR 3 HA THR 3 -9.039 -4.709 -3.882
19 HB THR 3 HB THR 3 -9.101 -4.274 -1.264
20 HG1 THR 3 1HG THR 3 -7.498 -5.125 -0.219
21 HG21 THR 3 3HG2 THR 3 -10.706 -5.758 -1.967
22 HG22 THR 3 1HG2 THR 3 -9.665 -6.875 -1.085
23 HG23 THR 3 2HG2 THR 3 -9.548 -6.762 -2.841
24 H LEU 4 H LEU 4 -7.282 -3.303 -1.213
25 HA LEU 4 HA LEU 4 -6.259 -1.068 -2.904
26 HB2 LEU 4 2HB LEU 4 -8.611 -1.110 -1.216
27 HB3 LEU 4 1HB LEU 4 -7.438 0.034 -0.568
28 HG LEU 4 HG LEU 4 -7.966 0.045 -3.513
29 HD11 LEU 4 1HD1 LEU 4 -10.209 0.045 -2.511
30 HD12 LEU 4 2HD1 LEU 4 -9.826 1.641 -3.153
31 HD13 LEU 4 3HD1 LEU 4 -9.730 1.345 -1.417
32 HD21 LEU 4 3HD2 LEU 4 -7.647 2.536 -3.032
33 HD22 LEU 4 1HD2 LEU 4 -6.235 1.519 -2.762
34 HD23 LEU 4 2HD2 LEU 4 -7.204 2.064 -1.393
35 H GLU 5 H GLU 5 -6.652 -2.008 0.542
36 HA GLU 5 HA GLU 5 -4.153 -0.820 1.350
37 HB2 GLU 5 2HB GLU 5 -4.734 -1.716 3.474
38 HB3 GLU 5 1HB GLU 5 -6.275 -1.396 2.693
39 HG2 GLU 5 2HG GLU 5 -5.057 -4.112 2.337
40 HG3 GLU 5 1HG GLU 5 -5.811 -3.729 3.880
41 H LYS 6 H LYS 6 -5.033 -4.006 0.118
42 HA LYS 6 HA LYS 6 -2.759 -5.463 1.005
43 HB2 LYS 6 2HB LYS 6 -5.057 -5.955 -0.427
44 HB3 LYS 6 1HB LYS 6 -3.808 -6.133 -1.663
45 HG2 LYS 6 2HG LYS 6 -2.663 -7.497 0.414
46 HG3 LYS 6 1HG LYS 6 -4.375 -7.817 0.705
47 HD2 LYS 6 2HD LYS 6 -4.636 -8.999 -1.259
48 HD3 LYS 6 1HD LYS 6 -3.375 -8.092 -2.095
49 HE2 LYS 6 2HE LYS 6 -2.661 -10.440 -1.641
50 HE3 LYS 6 1HE LYS 6 -1.637 -9.290 -0.758
51 HZ1 LYS 6 3HZ LYS 6 -4.116 -10.399 0.431
52 HZ2 LYS 6 1HZ LYS 6 -2.802 -9.670 1.222
53 HZ3 LYS 6 2HZ LYS 6 -2.635 -11.218 0.554
54 H LEU 7 H LEU 7 -3.238 -3.625 -2.027
55 HA LEU 7 HA LEU 7 -0.648 -4.233 -3.092
56 HB2 LEU 7 2HB LEU 7 -1.280 -2.757 -4.775
57 HB3 LEU 7 1HB LEU 7 -2.861 -3.099 -4.079
58 HG LEU 7 HG LEU 7 -2.321 -1.040 -2.523
59 HD11 LEU 7 1HD1 LEU 7 -0.302 -0.099 -2.950
60 HD12 LEU 7 2HD1 LEU 7 -1.001 0.486 -4.460
61 HD13 LEU 7 3HD1 LEU 7 -0.106 -1.034 -4.432
62 HD21 LEU 7 3HD2 LEU 7 -4.053 -0.337 -3.806
63 HD22 LEU 7 1HD2 LEU 7 -3.503 -1.316 -5.167
64 HD23 LEU 7 2HD2 LEU 7 -2.859 0.307 -4.935
65 H MET 8 H MET 8 -1.652 -2.272 -0.439
66 HA MET 8 HA MET 8 0.604 -0.393 -0.585
67 HB2 MET 8 2HB MET 8 -0.867 0.728 0.744
68 HB3 MET 8 1HB MET 8 -1.906 -0.687 0.799
69 HG2 MET 8 2HG MET 8 -0.645 -1.561 2.722
70 HG3 MET 8 1HG MET 8 0.443 -0.175 2.653
71 HE1 MET 8 3HE MET 8 -1.540 -1.304 5.097
72 HE2 MET 8 1HE MET 8 -2.697 -1.719 3.824
73 HE3 MET 8 2HE MET 8 -3.150 -0.592 5.101
74 H LYS 9 H LYS 9 -0.320 -3.153 1.543
75 HA LYS 9 HA LYS 9 2.188 -3.246 2.940
76 HB2 LYS 9 2HB LYS 9 -0.209 -4.423 3.272
77 HB3 LYS 9 1HB LYS 9 0.582 -5.722 2.386
78 HG2 LYS 9 2HG LYS 9 0.830 -5.967 4.859
79 HG3 LYS 9 1HG LYS 9 2.387 -5.797 4.046
80 HD2 LYS 9 2HD LYS 9 2.577 -3.504 4.694
81 HD3 LYS 9 1HD LYS 9 0.899 -3.444 5.229
82 HE2 LYS 9 2HE LYS 9 2.507 -5.550 6.559
83 HE3 LYS 9 1HE LYS 9 3.026 -3.893 6.924
84 HZ1 LYS 9 3HZ LYS 9 1.317 -4.001 8.380
85 HZ2 LYS 9 1HZ LYS 9 0.513 -5.232 7.535
86 HZ3 LYS 9 2HZ LYS 9 0.375 -3.620 7.027
87 H ALA 10 H ALA 10 0.944 -4.766 0.027
88 HA ALA 10 HA ALA 10 3.049 -6.475 -0.786
89 HB1 ALA 10 1HB ALA 10 2.326 -4.897 -3.012
90 HB2 ALA 10 2HB ALA 10 0.905 -4.864 -1.973
91 HB3 ALA 10 3HB ALA 10 1.552 -6.407 -2.538
92 H PHE 11 H PHE 11 2.437 -3.217 -1.808
93 HA PHE 11 HA PHE 11 4.845 -2.648 -3.047
94 HB2 PHE 11 2HB PHE 11 2.760 -1.373 -3.209
95 HB3 PHE 11 1HB PHE 11 2.964 -0.859 -1.530
96 HD1 PHE 11 1HD PHE 11 4.906 -1.125 -4.671
97 HD2 PHE 11 2HD PHE 11 4.121 0.994 -1.048
98 HE1 PHE 11 1HE PHE 11 6.519 0.669 -5.388
99 HE2 PHE 11 2HE PHE 11 5.713 2.807 -1.733
100 HZ PHE 11 HZ PHE 11 6.919 2.631 -3.905
101 H GLU 12 H GLU 12 3.846 -1.447 0.148
102 HA GLU 12 HA GLU 12 6.321 -0.300 0.698
103 HB2 GLU 12 2HB GLU 12 3.913 -1.000 2.127
104 HB3 GLU 12 1HB GLU 12 5.301 -1.347 3.162
105 HG2 GLU 12 2HG GLU 12 6.182 0.934 2.688
106 HG3 GLU 12 1HG GLU 12 4.737 1.278 1.742
107 H SER 13 H SER 13 5.239 -3.670 1.190
108 HA SER 13 HA SER 13 7.633 -4.715 2.429
109 HB2 SER 13 2HB SER 13 5.458 -5.908 0.664
110 HB3 SER 13 1HB SER 13 6.691 -6.883 1.450
111 HG SER 13 HG SER 13 4.557 -5.427 2.533
112 H LEU 14 H LEU 14 6.888 -3.664 -0.754
113 HA LEU 14 HA LEU 14 9.182 -5.034 -2.019
114 HB2 LEU 14 2HB LEU 14 7.405 -5.170 -3.491
115 HB3 LEU 14 1HB LEU 14 6.581 -3.820 -2.746
116 HG LEU 14 HG LEU 14 7.184 -3.435 -5.134
117 HD11 LEU 14 1HD1 LEU 14 7.507 -1.211 -4.764
118 HD12 LEU 14 2HD1 LEU 14 8.789 -1.475 -3.588
119 HD13 LEU 14 3HD1 LEU 14 7.107 -1.704 -3.123
120 HD21 LEU 14 3HD2 LEU 14 9.397 -4.622 -5.091
121 HD22 LEU 14 1HD2 LEU 14 10.045 -3.291 -4.137
122 HD23 LEU 14 2HD2 LEU 14 9.480 -3.004 -5.778
123 H LYS 15 H LYS 15 7.972 -1.885 -1.068
124 HA LYS 15 HA LYS 15 9.963 -0.146 -2.077
125 HB2 LYS 15 2HB LYS 15 8.283 0.978 -0.980
126 HB3 LYS 15 1HB LYS 15 7.881 -0.404 -0.016
127 HG2 LYS 15 2HG LYS 15 8.670 0.781 1.702
128 HG3 LYS 15 1HG LYS 15 10.259 0.358 1.079
129 HD2 LYS 15 2HD LYS 15 8.975 2.709 -0.206
130 HD3 LYS 15 1HD LYS 15 9.448 2.934 1.479
131 HE2 LYS 15 2HE LYS 15 11.347 1.779 -0.582
132 HE3 LYS 15 1HE LYS 15 11.241 3.520 -0.261
133 HZ1 LYS 15 3HZ LYS 15 12.839 2.790 1.240
134 HZ2 LYS 15 1HZ LYS 15 12.027 1.346 1.585
135 HZ3 LYS 15 2HZ LYS 15 11.435 2.815 2.190
136 H SER 16 H SER 16 9.633 -2.113 0.740
137 HA SER 16 HA SER 16 11.755 -1.856 2.406
138 HB2 SER 16 2HB SER 16 10.376 -4.181 1.105
139 HB3 SER 16 1HB SER 16 11.700 -4.512 2.221
140 HG SER 16 HG SER 16 9.293 -3.056 2.699
141 H PHE 17 H PHE 17 11.991 -3.736 -0.614
142 HA PHE 17 HA PHE 17 14.955 -3.584 -0.444
143 HB2 PHE 17 2HB PHE 17 14.766 -5.552 -1.970
144 HB3 PHE 17 1HB PHE 17 13.984 -5.795 -0.419
145 HD1 PHE 17 1HD PHE 17 13.218 -4.561 -3.874
146 HD2 PHE 17 2HD PHE 17 11.834 -6.641 -0.385
147 HE1 PHE 17 1HE PHE 17 11.111 -5.095 -5.031
148 HE2 PHE 17 2HE PHE 17 9.710 -7.170 -1.541
149 HZ PHE 17 HZ PHE 17 9.360 -6.429 -3.890
150 HN1 NH2 18 1H PHE 17 12.934 -1.518 -1.725
151 HN2 NH2 18 2H PHE 17 13.566 -1.300 -3.284
Start of MODEL 20
1 H1 MET 1 1HT MET 1 -5.951 5.857 5.607
2 H2 MET 1 2HT MET 1 -6.576 7.431 5.645
3 H3 MET 1 3HT MET 1 -5.107 7.119 4.858
4 HA MET 1 HA MET 1 -7.832 6.295 4.014
5 HB2 MET 1 2HB MET 1 -5.592 8.019 2.903
6 HB3 MET 1 1HB MET 1 -7.021 7.566 1.973
7 HG2 MET 1 2HG MET 1 -8.479 8.748 3.446
8 HG3 MET 1 1HG MET 1 -7.214 8.937 4.662
9 HE1 MET 1 3HE MET 1 -7.512 10.978 0.574
10 HE2 MET 1 1HE MET 1 -8.928 10.531 1.537
11 HE3 MET 1 2HE MET 1 -7.824 9.286 0.955
12 H ALA 2 H ALA 2 -7.872 4.281 3.086
13 HA ALA 2 HA ALA 2 -5.486 3.346 1.557
14 HB1 ALA 2 1HB ALA 2 -4.942 1.993 3.290
15 HB2 ALA 2 2HB ALA 2 -6.443 1.115 2.990
16 HB3 ALA 2 3HB ALA 2 -6.409 2.434 4.161
17 H THR 3 H THR 3 -6.323 2.865 -0.428
18 HA THR 3 HA THR 3 -9.144 2.035 -0.722
19 HB THR 3 HB THR 3 -8.086 2.023 -3.220
20 HG1 THR 3 1HG THR 3 -6.338 3.339 -3.351
21 HG21 THR 3 3HG2 THR 3 -8.949 4.208 -3.471
22 HG22 THR 3 1HG2 THR 3 -8.519 4.660 -1.820
23 HG23 THR 3 2HG2 THR 3 -9.853 3.546 -2.111
24 H LEU 4 H LEU 4 -6.108 0.836 -2.197
25 HA LEU 4 HA LEU 4 -7.128 -1.948 -1.874
26 HB2 LEU 4 2HB LEU 4 -5.709 -0.450 -3.902
27 HB3 LEU 4 1HB LEU 4 -4.727 -1.825 -3.399
28 HG LEU 4 HG LEU 4 -6.801 -3.276 -3.679
29 HD11 LEU 4 1HD1 LEU 4 -8.632 -1.861 -3.721
30 HD12 LEU 4 2HD1 LEU 4 -8.375 -2.101 -5.448
31 HD13 LEU 4 3HD1 LEU 4 -7.798 -0.628 -4.664
32 HD21 LEU 4 3HD2 LEU 4 -6.145 -1.959 -6.300
33 HD22 LEU 4 1HD2 LEU 4 -6.301 -3.676 -5.920
34 HD23 LEU 4 2HD2 LEU 4 -4.864 -2.786 -5.410
35 H GLU 5 H GLU 5 -6.490 -1.230 0.489
36 HA GLU 5 HA GLU 5 -4.068 -0.794 1.616
37 HB2 GLU 5 2HB GLU 5 -4.861 -2.600 3.367
38 HB3 GLU 5 1HB GLU 5 -5.803 -1.137 3.119
39 HG2 GLU 5 2HG GLU 5 -7.498 -2.700 2.961
40 HG3 GLU 5 1HG GLU 5 -7.011 -2.669 1.273
41 H LYS 6 H LYS 6 -4.957 -4.026 0.300
42 HA LYS 6 HA LYS 6 -2.542 -5.292 1.206
43 HB2 LYS 6 2HB LYS 6 -4.912 -6.050 -0.036
44 HB3 LYS 6 1HB LYS 6 -3.693 -6.357 -1.275
45 HG2 LYS 6 2HG LYS 6 -2.571 -7.927 0.011
46 HG3 LYS 6 1HG LYS 6 -3.131 -7.236 1.531
47 HD2 LYS 6 2HD LYS 6 -4.915 -8.701 -0.441
48 HD3 LYS 6 1HD LYS 6 -4.205 -9.447 0.989
49 HE2 LYS 6 2HE LYS 6 -6.286 -7.234 0.871
50 HE3 LYS 6 1HE LYS 6 -6.396 -8.801 1.692
51 HZ1 LYS 6 3HZ LYS 6 -4.868 -6.400 2.470
52 HZ2 LYS 6 1HZ LYS 6 -4.289 -7.926 2.944
53 HZ3 LYS 6 2HZ LYS 6 -5.829 -7.413 3.428
54 H LEU 7 H LEU 7 -3.358 -3.763 -1.925
55 HA LEU 7 HA LEU 7 -0.870 -4.330 -3.202
56 HB2 LEU 7 2HB LEU 7 -1.926 -3.177 -4.855
57 HB3 LEU 7 1HB LEU 7 -3.254 -2.921 -3.730
58 HG LEU 7 HG LEU 7 -1.868 -0.897 -2.876
59 HD11 LEU 7 1HD1 LEU 7 0.008 -0.290 -3.980
60 HD12 LEU 7 2HD1 LEU 7 -0.734 -0.553 -5.558
61 HD13 LEU 7 3HD1 LEU 7 -0.017 -1.907 -4.684
62 HD21 LEU 7 3HD2 LEU 7 -2.600 -0.070 -5.537
63 HD22 LEU 7 1HD2 LEU 7 -3.423 0.244 -4.013
64 HD23 LEU 7 2HD2 LEU 7 -3.789 -1.221 -4.924
65 H MET 8 H MET 8 -1.686 -2.186 -0.584
66 HA MET 8 HA MET 8 0.670 -0.458 -0.922
67 HB2 MET 8 2HB MET 8 -1.479 -0.847 1.185
68 HB3 MET 8 1HB MET 8 -0.142 0.272 1.424
69 HG2 MET 8 2HG MET 8 -2.123 0.353 -0.877
70 HG3 MET 8 1HG MET 8 -2.099 1.448 0.505
71 HE1 MET 8 3HE MET 8 -0.194 2.594 1.300
72 HE2 MET 8 1HE MET 8 0.832 3.594 0.264
73 HE3 MET 8 2HE MET 8 1.368 1.989 0.748
74 H LYS 9 H LYS 9 -0.342 -2.914 1.533
75 HA LYS 9 HA LYS 9 2.194 -3.029 2.841
76 HB2 LYS 9 2HB LYS 9 0.148 -4.049 3.768
77 HB3 LYS 9 1HB LYS 9 0.068 -5.164 2.403
78 HG2 LYS 9 2HG LYS 9 1.060 -6.158 4.510
79 HG3 LYS 9 1HG LYS 9 2.101 -6.272 3.090
80 HD2 LYS 9 2HD LYS 9 3.476 -4.452 3.835
81 HD3 LYS 9 1HD LYS 9 2.302 -3.990 5.069
82 HE2 LYS 9 2HE LYS 9 4.065 -5.173 6.217
83 HE3 LYS 9 1HE LYS 9 2.693 -6.291 6.124
84 HZ1 LYS 9 3HZ LYS 9 4.984 -7.123 5.360
85 HZ2 LYS 9 1HZ LYS 9 4.722 -6.197 3.964
86 HZ3 LYS 9 2HZ LYS 9 3.645 -7.449 4.370
87 H ALA 10 H ALA 10 0.838 -4.831 0.128
88 HA ALA 10 HA ALA 10 2.885 -6.622 -0.591
89 HB1 ALA 10 1HB ALA 10 2.219 -5.804 -2.984
90 HB2 ALA 10 2HB ALA 10 1.137 -4.685 -2.159
91 HB3 ALA 10 3HB ALA 10 0.906 -6.424 -1.978
92 H PHE 11 H PHE 11 2.391 -3.405 -1.794
93 HA PHE 11 HA PHE 11 4.867 -3.116 -3.078
94 HB2 PHE 11 2HB PHE 11 2.736 -1.863 -3.417
95 HB3 PHE 11 1HB PHE 11 3.115 -0.983 -1.927
96 HD1 PHE 11 2HD PHE 11 4.414 -1.958 -5.192
97 HD2 PHE 11 1HD PHE 11 4.793 0.563 -1.774
98 HE1 PHE 11 2HE PHE 11 6.080 -0.548 -6.449
99 HE2 PHE 11 1HE PHE 11 6.477 1.991 -2.987
100 HZ PHE 11 HZ PHE 11 7.114 1.419 -5.324
101 H GLU 12 H GLU 12 3.730 -1.572 -0.102
102 HA GLU 12 HA GLU 12 6.110 -0.278 0.421
103 HB2 GLU 12 2HB GLU 12 3.850 -1.404 2.057
104 HB3 GLU 12 1HB GLU 12 5.235 -0.737 2.915
105 HG2 GLU 12 2HG GLU 12 3.915 0.818 0.702
106 HG3 GLU 12 1HG GLU 12 3.255 0.845 2.335
107 H SER 13 H SER 13 5.144 -3.629 1.012
108 HA SER 13 HA SER 13 7.358 -4.527 2.554
109 HB2 SER 13 2HB SER 13 5.567 -5.831 0.478
110 HB3 SER 13 1HB SER 13 6.724 -6.754 1.436
111 HG SER 13 HG SER 13 4.420 -5.352 2.205
112 H LEU 14 H LEU 14 6.978 -3.909 -0.912
113 HA LEU 14 HA LEU 14 9.557 -4.971 -1.745
114 HB2 LEU 14 2HB LEU 14 7.661 -2.926 -2.927
115 HB3 LEU 14 1HB LEU 14 9.046 -3.593 -3.782
116 HG LEU 14 HG LEU 14 7.271 -5.634 -2.624
117 HD11 LEU 14 1HD1 LEU 14 6.189 -3.363 -4.058
118 HD12 LEU 14 2HD1 LEU 14 5.340 -4.721 -3.312
119 HD13 LEU 14 3HD1 LEU 14 5.939 -4.853 -4.964
120 HD21 LEU 14 3HD2 LEU 14 8.120 -6.814 -4.379
121 HD22 LEU 14 1HD2 LEU 14 9.209 -5.447 -4.622
122 HD23 LEU 14 2HD2 LEU 14 7.703 -5.545 -5.530
123 H LYS 15 H LYS 15 8.207 -1.895 -0.869
124 HA LYS 15 HA LYS 15 10.414 -0.160 -1.181
125 HB2 LYS 15 2HB LYS 15 8.495 0.938 -0.572
126 HB3 LYS 15 1HB LYS 15 7.812 -0.516 0.100
127 HG2 LYS 15 2HG LYS 15 7.952 0.634 2.031
128 HG3 LYS 15 1HG LYS 15 9.606 0.043 2.016
129 HD2 LYS 15 2HD LYS 15 10.427 2.144 1.823
130 HD3 LYS 15 1HD LYS 15 9.377 2.474 0.447
131 HE2 LYS 15 2HE LYS 15 9.004 3.966 2.506
132 HE3 LYS 15 1HE LYS 15 7.562 3.156 1.875
133 HZ1 LYS 15 3HZ LYS 15 9.158 1.674 3.822
134 HZ2 LYS 15 1HZ LYS 15 7.471 1.724 3.613
135 HZ3 LYS 15 2HZ LYS 15 8.268 2.992 4.412
136 H SER 16 H SER 16 9.281 -2.250 1.367
137 HA SER 16 HA SER 16 11.252 -1.936 3.381
138 HB2 SER 16 2HB SER 16 9.096 -3.733 2.611
139 HB3 SER 16 1HB SER 16 10.406 -4.618 3.377
140 HG SER 16 HG SER 16 9.242 -3.917 5.057
141 H PHE 17 H PHE 17 11.068 -4.815 1.262
142 HA PHE 17 HA PHE 17 13.966 -5.245 1.609
143 HB2 PHE 17 2HB PHE 17 13.404 -7.385 0.388
144 HB3 PHE 17 1HB PHE 17 12.550 -7.152 1.896
145 HD1 PHE 17 2HD PHE 17 12.143 -6.469 -1.781
146 HD2 PHE 17 1HD PHE 17 10.258 -7.541 1.931
147 HE1 PHE 17 2HE PHE 17 9.980 -6.764 -2.958
148 HE2 PHE 17 1HE PHE 17 8.096 -7.846 0.746
149 HZ PHE 17 HZ PHE 17 7.965 -7.472 -1.698
150 HN1 NH2 18 1H PHE 17 13.152 -2.935 -0.126
151 HN2 NH2 18 2H PHE 17 13.797 -3.268 -1.658
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