Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
566634 | 2mce RC | 19437 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 H ASP 1 -15.392 7.333 5.591
2 HA ASP 1 HA ASP 1 -15.895 7.716 2.767
3 HB2 ASP 1 1HB ASP 1 -13.246 7.914 2.861
4 HB3 ASP 1 2HB ASP 1 -14.254 9.250 3.378
5 HD2 ASP 1 HD2 ASP 1 -12.905 10.025 5.379
6 H ALA 2 H ALA 2 -15.906 5.841 1.518
7 HA ALA 2 HA ALA 2 -14.638 3.462 2.594
8 HB1 ALA 2 3HB ALA 2 -15.985 3.397 -0.051
9 HB2 ALA 2 1HB ALA 2 -16.175 2.325 1.357
10 HB3 ALA 2 2HB ALA 2 -17.014 3.894 1.314
11 H GLY 3 H GLY 3 -14.440 5.740 -0.190
12 HA2 GLY 3 1HA GLY 3 -12.372 4.300 -1.528
13 HA3 GLY 3 2HA GLY 3 -12.914 5.936 -1.844
14 H HIS 4 H HIS 4 -12.357 5.883 1.448
15 HA HIS 4 HA HIS 4 -9.937 7.342 1.140
16 HB2 HIS 4 1HB HIS 4 -11.271 8.214 2.801
17 HB3 HIS 4 2HB HIS 4 -11.791 6.643 3.377
18 HD1 HIS 4 HD1 HIS 4 -9.350 9.326 4.021
19 HD2 HIS 4 HD2 HIS 4 -9.760 5.266 4.992
20 HE1 HIS 4 HE1 HIS 4 -7.740 8.887 5.951
21 H GLY 5 H GLY 5 -10.816 4.003 1.659
22 HA2 GLY 5 1HA GLY 5 -8.313 3.273 2.919
23 HA3 GLY 5 2HA GLY 5 -9.618 2.213 2.426
24 H GLN 6 H GLN 6 -9.534 3.811 -0.316
25 HA GLN 6 HA GLN 6 -7.920 1.889 -1.586
26 HB2 GLN 6 1HB GLN 6 -9.770 4.059 -2.363
27 HB3 GLN 6 2HB GLN 6 -8.444 3.860 -3.491
28 HG2 GLN 6 1HG GLN 6 -8.954 1.416 -3.663
29 HG3 GLN 6 2HG GLN 6 -10.274 1.609 -2.528
30 HE21 GLN 6 2HE2 GLN 6 -12.025 3.050 -3.084
31 HE22 GLN 6 1HE2 GLN 6 -12.496 3.259 -4.738
32 H ILE 7 H ILE 7 -7.342 5.031 -0.187
33 HA ILE 7 HA ILE 7 -5.035 5.574 -1.829
34 HB ILE 7 HB ILE 7 -6.626 7.299 -0.920
35 HG12 ILE 7 1HG1 ILE 7 -3.904 8.041 0.036
36 HG13 ILE 7 2HG1 ILE 7 -4.034 7.486 -1.622
37 HG21 ILE 7 1HG2 ILE 7 -5.407 7.819 1.565
38 HG22 ILE 7 2HG2 ILE 7 -7.085 7.317 1.249
39 HG23 ILE 7 3HG2 ILE 7 -5.835 6.091 1.571
40 HD11 ILE 7 3HD1 ILE 7 -4.346 10.026 -1.180
41 HD12 ILE 7 1HD1 ILE 7 -5.548 9.227 -2.222
42 HD13 ILE 7 2HD1 ILE 7 -5.940 9.584 -0.523
43 H SER 8 H SER 8 -5.838 3.741 1.011
44 HA SER 8 HA SER 8 -3.261 3.964 2.179
45 HB2 SER 8 1HB SER 8 -5.702 3.246 3.145
46 HB3 SER 8 2HB SER 8 -5.044 1.649 2.845
47 HG SER 8 HG SER 8 -3.043 2.802 4.033
48 H HIS 9 H HIS 9 -4.729 2.139 -0.397
49 HA HIS 9 HA HIS 9 -3.204 -0.205 -0.192
50 HB2 HIS 9 1HB HIS 9 -5.285 0.752 -1.776
51 HB3 HIS 9 2HB HIS 9 -3.962 0.563 -2.910
52 HD1 HIS 9 HD1 HIS 9 -6.359 -1.288 -3.202
53 HD2 HIS 9 HD2 HIS 9 -3.022 -2.224 -0.839
54 HE1 HIS 9 HE1 HIS 9 -6.333 -3.829 -2.977
55 H LYS 10 H LYS 10 -2.450 3.062 -1.148
56 HA LYS 10 HA LYS 10 -0.329 2.429 -2.917
57 HB2 LYS 10 1HB LYS 10 -1.651 4.597 -2.776
58 HB3 LYS 10 2HB LYS 10 -0.718 4.986 -1.345
59 HG2 LYS 10 1HG LYS 10 0.665 5.964 -2.920
60 HG3 LYS 10 2HG LYS 10 1.350 4.351 -2.950
61 HD2 LYS 10 1HD LYS 10 -0.320 3.809 -4.840
62 HD3 LYS 10 2HD LYS 10 -0.686 5.522 -4.895
63 HE2 LYS 10 1HE LYS 10 2.225 4.954 -4.922
64 HE3 LYS 10 2HE LYS 10 1.377 4.261 -6.290
65 HZ1 LYS 10 2HZ LYS 10 2.177 6.739 -6.360
66 HZ3 LYS 10 1HZ LYS 10 0.787 7.048 -5.570
67 H ARG 11 H ARG 11 -0.751 2.378 0.551
68 HA ARG 11 HA ARG 11 2.044 2.663 1.046
69 HB2 ARG 11 1HB ARG 11 -0.430 2.199 2.726
70 HB3 ARG 11 2HB ARG 11 1.129 1.824 3.432
71 HG2 ARG 11 1HG ARG 11 1.409 4.022 3.901
72 HG3 ARG 11 2HG ARG 11 1.471 4.355 2.181
73 HD2 ARG 11 1HD ARG 11 -1.026 4.557 2.129
74 HD3 ARG 11 2HD ARG 11 -1.091 4.220 3.847
75 HE ARG 11 HE ARG 11 0.615 6.336 3.824
76 HH11 ARG 11 2HH2 ARG 11 -2.475 5.865 2.155
77 HH12 ARG 11 1HH2 ARG 11 -2.867 7.552 2.142
78 HH22 ARG 11 1HH ARG 11 -1.340 9.119 3.120
79 H HIS 12 H HIS 12 0.084 0.215 -0.176
80 HA HIS 12 HA HIS 12 1.308 -1.952 1.272
81 HB2 HIS 12 1HB HIS 12 -0.727 -1.782 -0.953
82 HB3 HIS 12 2HB HIS 12 -0.041 -3.311 -0.443
83 HD1 HIS 12 HD1 HIS 12 -1.037 -0.476 1.911
84 HD2 HIS 12 HD2 HIS 12 -2.246 -4.352 0.857
85 HE1 HIS 12 HE1 HIS 12 -2.852 -1.136 3.578
86 H LYS 13 H LYS 13 2.106 0.106 -1.341
87 HA LYS 13 HA LYS 13 3.459 -1.834 -2.936
88 HB2 LYS 13 1HB LYS 13 4.078 -0.018 -4.303
89 HB3 LYS 13 2HB LYS 13 2.464 0.355 -3.733
90 HG2 LYS 13 1HG LYS 13 3.791 1.585 -1.758
91 HG3 LYS 13 2HG LYS 13 5.097 1.600 -2.926
92 HD2 LYS 13 1HD LYS 13 2.289 2.650 -3.511
93 HD3 LYS 13 2HD LYS 13 3.614 3.665 -2.978
94 HE2 LYS 13 1HE LYS 13 4.511 2.027 -5.209
95 HE3 LYS 13 2HE LYS 13 3.016 2.826 -5.651
96 HZ1 LYS 13 2HZ LYS 13 5.579 3.982 -5.376
97 HZ3 LYS 13 1HZ LYS 13 4.570 4.727 -4.337
98 H THR 14 H THR 14 4.139 -0.017 -0.018
99 HA THR 14 HA THR 14 6.989 -0.147 -0.282
100 HB THR 14 HB THR 14 6.857 0.698 2.087
101 HG1 THR 14 HG1 THR 14 4.456 1.023 2.689
102 HG21 THR 14 3HG2 THR 14 4.869 1.932 0.113
103 HG22 THR 14 1HG2 THR 14 5.307 2.687 1.665
104 HG23 THR 14 2HG2 THR 14 6.545 2.453 0.408
105 H ASP 15 H ASP 15 4.452 -2.332 0.746
106 HA ASP 15 HA ASP 15 6.114 -3.867 2.422
107 HB2 ASP 15 1HB ASP 15 3.429 -4.272 1.073
108 HB3 ASP 15 2HB ASP 15 4.206 -5.630 1.864
109 HD2 ASP 15 HD2 ASP 15 3.582 -5.752 4.098
110 H SER 16 H SER 16 5.398 -3.656 -1.047
111 HA SER 16 HA SER 16 6.304 -6.258 -1.669
112 HB2 SER 16 1HB SER 16 4.781 -4.470 -2.994
113 HB3 SER 16 2HB SER 16 6.323 -4.053 -3.716
114 HG SER 16 HG SER 16 5.457 -6.798 -3.562
115 H PHE 17 H PHE 17 7.796 -3.165 -1.000
116 HA PHE 17 HA PHE 17 10.161 -3.611 -2.518
117 HB2 PHE 17 1HB PHE 17 8.991 -1.706 -0.506
118 HB3 PHE 17 2HB PHE 17 10.740 -1.800 -0.464
119 HD1 PHE 17 HD1 PHE 17 11.955 -1.516 -2.757
120 HD2 PHE 17 HD2 PHE 17 7.960 -0.284 -2.025
121 HE1 PHE 17 HE1 PHE 17 12.087 0.069 -4.699
122 HE2 PHE 17 HE2 PHE 17 8.093 1.300 -3.967
123 HZ PHE 17 HZ PHE 17 10.154 1.458 -5.281
124 H VAL 18 H VAL 18 8.944 -4.667 0.601
125 HA VAL 18 HA VAL 18 11.454 -5.041 1.848
126 HB VAL 18 HB VAL 18 8.810 -6.419 2.358
127 HG11 VAL 18 1HG1 VAL 18 10.548 -7.552 3.539
128 HG12 VAL 18 2HG1 VAL 18 11.292 -6.019 4.052
129 HG13 VAL 18 3HG1 VAL 18 9.717 -6.510 4.718
130 HG21 VAL 18 3HG2 VAL 18 8.009 -4.587 3.414
131 HG22 VAL 18 1HG2 VAL 18 9.607 -4.120 4.043
132 HG23 VAL 18 2HG2 VAL 18 9.158 -3.719 2.368
133 H GLY 19 H GLY 19 9.482 -6.879 -0.464
134 HA2 GLY 19 1HA GLY 19 11.002 -9.317 -0.096
135 HA3 GLY 19 2HA GLY 19 9.714 -9.016 -1.245
136 H LEU 20 H LEU 20 11.699 -6.337 -1.498
137 HA LEU 20 HA LEU 20 12.949 -7.446 -3.871
138 HB2 LEU 20 1HB LEU 20 11.801 -4.966 -3.149
139 HB3 LEU 20 2HB LEU 20 13.508 -4.667 -3.409
140 HG LEU 20 HG LEU 20 12.264 -4.271 -5.445
141 HD11 LEU 20 1HD1 LEU 20 14.560 -5.182 -5.597
142 HD12 LEU 20 2HD1 LEU 20 13.876 -6.821 -5.724
143 HD13 LEU 20 3HD1 LEU 20 13.542 -5.618 -6.992
144 HD21 LEU 20 3HD2 LEU 20 10.992 -5.961 -6.598
145 HD22 LEU 20 1HD2 LEU 20 11.401 -7.173 -5.360
146 HD23 LEU 20 2HD2 LEU 20 10.366 -5.787 -4.941
147 H MET 21 H MET 21 13.671 -6.583 -0.554
148 HA MET 21 HA MET 21 16.425 -6.138 -0.988
149 HB2 MET 21 1HB MET 21 14.571 -6.563 1.373
150 HB3 MET 21 2HB MET 21 16.292 -6.729 1.659
151 HG2 MET 21 1HG MET 21 16.255 -4.386 0.207
152 HG3 MET 21 2HG MET 21 14.704 -4.280 1.015
153 HE1 MET 21 3HE MET 21 18.733 -4.993 2.137
154 HE2 MET 21 1HE MET 21 18.155 -3.839 0.911
155 HE3 MET 21 2HE MET 21 18.664 -3.254 2.514
Start of MODEL 2
1 H1 ASP 1 H ASP 1 -13.990 11.161 1.292
2 HA ASP 1 HA ASP 1 -16.110 9.778 -0.131
3 HB2 ASP 1 1HB ASP 1 -13.756 8.666 -1.036
4 HB3 ASP 1 2HB ASP 1 -14.573 10.015 -1.800
5 HD2 ASP 1 HD2 ASP 1 -11.791 9.635 -1.928
6 H ALA 2 H ALA 2 -16.490 7.545 0.303
7 HA ALA 2 HA ALA 2 -15.454 6.542 2.756
8 HB1 ALA 2 3HB ALA 2 -17.501 5.838 0.737
9 HB2 ALA 2 1HB ALA 2 -16.751 4.443 1.548
10 HB3 ALA 2 2HB ALA 2 -17.550 5.707 2.512
11 H GLY 3 H GLY 3 -14.831 6.034 -0.737
12 HA2 GLY 3 1HA GLY 3 -13.153 3.753 -0.369
13 HA3 GLY 3 2HA GLY 3 -13.335 4.728 -1.814
14 H HIS 4 H HIS 4 -12.743 6.933 0.638
15 HA HIS 4 HA HIS 4 -10.165 7.493 -0.303
16 HB2 HIS 4 1HB HIS 4 -12.031 8.946 0.906
17 HB3 HIS 4 2HB HIS 4 -11.129 8.510 2.343
18 HD1 HIS 4 HD1 HIS 4 -11.148 11.432 1.653
19 HD2 HIS 4 HD2 HIS 4 -8.290 8.784 0.099
20 HE1 HIS 4 HE1 HIS 4 -9.146 12.861 0.970
21 H GLY 5 H GLY 5 -11.335 5.100 1.856
22 HA2 GLY 5 1HA GLY 5 -8.977 5.014 3.540
23 HA3 GLY 5 2HA GLY 5 -10.356 3.933 3.564
24 H GLN 6 H GLN 6 -9.925 3.891 0.388
25 HA GLN 6 HA GLN 6 -8.637 1.429 0.396
26 HB2 GLN 6 1HB GLN 6 -10.184 2.893 -1.392
27 HB3 GLN 6 2HB GLN 6 -8.619 2.888 -2.182
28 HG2 GLN 6 1HG GLN 6 -9.834 0.917 -2.927
29 HG3 GLN 6 2HG GLN 6 -8.521 0.379 -1.897
30 HE21 GLN 6 2HE2 GLN 6 -8.957 -0.933 -0.290
31 HE22 GLN 6 1HE2 GLN 6 -10.513 -1.255 0.401
32 H ILE 7 H ILE 7 -7.416 4.663 0.508
33 HA ILE 7 HA ILE 7 -5.023 4.278 -0.933
34 HB ILE 7 HB ILE 7 -6.218 6.435 -0.232
35 HG12 ILE 7 1HG1 ILE 7 -3.441 7.017 0.345
36 HG13 ILE 7 2HG1 ILE 7 -3.557 5.826 -0.935
37 HG21 ILE 7 1HG2 ILE 7 -4.427 6.561 2.128
38 HG22 ILE 7 2HG2 ILE 7 -6.032 7.281 1.853
39 HG23 ILE 7 3HG2 ILE 7 -5.891 5.563 2.294
40 HD11 ILE 7 3HD1 ILE 7 -5.274 8.336 -0.957
41 HD12 ILE 7 1HD1 ILE 7 -3.628 8.317 -1.634
42 HD13 ILE 7 2HD1 ILE 7 -4.884 7.256 -2.316
43 H SER 8 H SER 8 -6.185 3.068 2.087
44 HA SER 8 HA SER 8 -3.688 2.948 3.381
45 HB2 SER 8 1HB SER 8 -6.165 1.239 3.869
46 HB3 SER 8 2HB SER 8 -4.846 1.495 4.994
47 HG SER 8 HG SER 8 -6.717 3.481 4.024
48 H HIS 9 H HIS 9 -5.092 1.250 0.740
49 HA HIS 9 HA HIS 9 -3.776 -1.244 1.283
50 HB2 HIS 9 1HB HIS 9 -5.986 -1.073 0.140
51 HB3 HIS 9 2HB HIS 9 -5.200 -0.287 -1.216
52 HD1 HIS 9 HD1 HIS 9 -4.866 -3.591 0.714
53 HD2 HIS 9 HD2 HIS 9 -4.412 -2.038 -3.156
54 HE1 HIS 9 HE1 HIS 9 -4.307 -5.574 -0.791
55 H LYS 10 H LYS 10 -2.900 1.840 0.069
56 HA LYS 10 HA LYS 10 -1.101 1.064 -1.949
57 HB2 LYS 10 1HB LYS 10 -0.532 3.297 -2.056
58 HB3 LYS 10 2HB LYS 10 -2.151 3.376 -1.390
59 HG2 LYS 10 1HG LYS 10 -0.986 4.797 0.067
60 HG3 LYS 10 2HG LYS 10 -0.939 3.287 0.952
61 HD2 LYS 10 1HD LYS 10 1.331 3.057 0.699
62 HD3 LYS 10 2HD LYS 10 1.301 3.588 -0.970
63 HE2 LYS 10 1HE LYS 10 2.339 5.456 -0.121
64 HE3 LYS 10 2HE LYS 10 0.700 5.956 0.249
65 HZ1 LYS 10 2HZ LYS 10 2.780 5.194 2.066
66 HZ3 LYS 10 1HZ LYS 10 1.398 4.391 2.381
67 H ARG 11 H ARG 11 -1.074 0.700 1.491
68 HA ARG 11 HA ARG 11 1.660 0.947 1.910
69 HB2 ARG 11 1HB ARG 11 1.231 -0.123 4.053
70 HB3 ARG 11 2HB ARG 11 -0.156 0.887 3.692
71 HG2 ARG 11 1HG ARG 11 -1.419 -1.075 2.867
72 HG3 ARG 11 2HG ARG 11 -0.020 -2.105 3.092
73 HD2 ARG 11 1HD ARG 11 -0.066 -1.636 5.552
74 HD3 ARG 11 2HD ARG 11 -1.458 -0.594 5.330
75 HE ARG 11 HE ARG 11 -1.427 -3.546 5.172
76 HH11 ARG 11 2HH2 ARG 11 -3.262 -0.572 4.590
77 HH12 ARG 11 1HH2 ARG 11 -4.795 -1.377 4.554
78 HH22 ARG 11 1HH ARG 11 -4.882 -3.750 4.871
79 H HIS 12 H HIS 12 -0.151 -1.336 0.116
80 HA HIS 12 HA HIS 12 1.332 -3.663 0.724
81 HB2 HIS 12 1HB HIS 12 -0.617 -2.846 -1.409
82 HB3 HIS 12 2HB HIS 12 0.304 -4.323 -1.608
83 HD1 HIS 12 HD1 HIS 12 -1.965 -2.721 1.042
84 HD2 HIS 12 HD2 HIS 12 -0.848 -6.494 -0.412
85 HE1 HIS 12 HE1 HIS 12 -3.413 -4.420 2.278
86 H LYS 13 H LYS 13 1.902 -0.804 -1.206
87 HA LYS 13 HA LYS 13 3.714 -2.003 -3.032
88 HB2 LYS 13 1HB LYS 13 3.889 0.082 -3.946
89 HB3 LYS 13 2HB LYS 13 2.352 0.254 -3.123
90 HG2 LYS 13 1HG LYS 13 3.508 1.284 -1.162
91 HG3 LYS 13 2HG LYS 13 5.053 1.095 -1.968
92 HD2 LYS 13 1HD LYS 13 4.451 2.662 -3.711
93 HD3 LYS 13 2HD LYS 13 2.762 2.648 -3.241
94 HE2 LYS 13 1HE LYS 13 3.091 4.261 -1.669
95 HE3 LYS 13 2HE LYS 13 4.448 3.401 -0.968
96 HZ1 LYS 13 2HZ LYS 13 4.504 5.606 -2.767
97 HZ3 LYS 13 1HZ LYS 13 5.384 4.377 -3.373
98 H THR 14 H THR 14 3.856 -0.965 0.311
99 HA THR 14 HA THR 14 6.695 -0.574 0.349
100 HB THR 14 HB THR 14 4.576 -0.942 2.532
101 HG1 THR 14 HG1 THR 14 5.947 1.243 1.142
102 HG21 THR 14 3HG2 THR 14 7.536 -0.405 2.593
103 HG22 THR 14 1HG2 THR 14 6.516 0.627 3.625
104 HG23 THR 14 2HG2 THR 14 6.497 -1.141 3.837
105 H ASP 15 H ASP 15 4.527 -3.323 0.483
106 HA ASP 15 HA ASP 15 6.318 -4.979 1.889
107 HB2 ASP 15 1HB ASP 15 3.855 -5.419 0.174
108 HB3 ASP 15 2HB ASP 15 4.804 -6.798 0.692
109 HD2 ASP 15 HD2 ASP 15 2.109 -5.254 2.970
110 H SER 16 H SER 16 5.817 -3.946 -1.469
111 HA SER 16 HA SER 16 7.218 -6.106 -2.628
112 HB2 SER 16 1HB SER 16 5.507 -4.226 -3.597
113 HB3 SER 16 2HB SER 16 7.023 -3.482 -4.064
114 HG SER 16 HG SER 16 5.998 -6.072 -4.818
115 H PHE 17 H PHE 17 8.078 -3.121 -1.020
116 HA PHE 17 HA PHE 17 10.582 -2.760 -2.322
117 HB2 PHE 17 1HB PHE 17 8.957 -1.689 -0.028
118 HB3 PHE 17 2HB PHE 17 10.689 -1.509 0.175
119 HD1 PHE 17 HD2 PHE 17 8.136 -0.981 -2.507
120 HD2 PHE 17 HD1 PHE 17 11.607 0.470 -0.544
121 HE1 PHE 17 HE2 PHE 17 8.091 1.074 -3.949
122 HE2 PHE 17 HE1 PHE 17 11.564 2.525 -1.986
123 HZ PHE 17 HZ PHE 17 9.806 2.802 -3.671
124 H VAL 18 H VAL 18 9.366 -4.803 0.262
125 HA VAL 18 HA VAL 18 11.859 -5.121 1.593
126 HB VAL 18 HB VAL 18 9.406 -6.889 1.596
127 HG11 VAL 18 1HG1 VAL 18 11.244 -6.541 3.940
128 HG12 VAL 18 2HG1 VAL 18 10.230 -7.929 3.478
129 HG13 VAL 18 3HG1 VAL 18 11.745 -7.605 2.603
130 HG21 VAL 18 3HG2 VAL 18 8.410 -5.551 3.196
131 HG22 VAL 18 1HG2 VAL 18 9.948 -4.813 3.698
132 HG23 VAL 18 2HG2 VAL 18 9.188 -4.328 2.163
133 H GLY 19 H GLY 19 10.229 -6.576 -1.206
134 HA2 GLY 19 1HA GLY 19 12.044 -8.831 -1.317
135 HA3 GLY 19 2HA GLY 19 10.767 -8.421 -2.445
136 H LEU 20 H LEU 20 12.388 -5.541 -1.941
137 HA LEU 20 HA LEU 20 13.854 -5.893 -4.421
138 HB2 LEU 20 1HB LEU 20 12.422 -3.779 -3.134
139 HB3 LEU 20 2HB LEU 20 14.076 -3.259 -3.386
140 HG LEU 20 HG LEU 20 12.620 -2.602 -5.237
141 HD11 LEU 20 1HD1 LEU 20 15.048 -3.131 -5.585
142 HD12 LEU 20 2HD1 LEU 20 14.551 -4.732 -6.182
143 HD13 LEU 20 3HD1 LEU 20 14.033 -3.262 -7.041
144 HD21 LEU 20 3HD2 LEU 20 12.008 -5.539 -5.330
145 HD22 LEU 20 1HD2 LEU 20 10.909 -4.142 -5.406
146 HD23 LEU 20 2HD2 LEU 20 11.918 -4.559 -6.812
147 H MET 21 H MET 21 14.342 -5.762 -0.954
148 HA MET 21 HA MET 21 17.062 -4.959 -1.160
149 HB2 MET 21 1HB MET 21 15.095 -5.741 0.965
150 HB3 MET 21 2HB MET 21 16.764 -6.113 1.352
151 HG2 MET 21 1HG MET 21 17.346 -3.897 1.574
152 HG3 MET 21 2HG MET 21 16.388 -3.399 0.193
153 HE1 MET 21 3HE MET 21 14.626 -4.405 4.319
154 HE2 MET 21 1HE MET 21 15.801 -5.364 3.387
155 HE3 MET 21 2HE MET 21 16.317 -3.862 4.192
Start of MODEL 3
1 H1 ASP 1 H ASP 1 -14.749 9.841 4.223
2 HA ASP 1 HA ASP 1 -16.994 8.457 3.601
3 HB2 ASP 1 1HB ASP 1 -15.868 9.436 1.221
4 HB3 ASP 1 2HB ASP 1 -15.257 7.796 1.304
5 HD2 ASP 1 HD2 ASP 1 -18.511 6.422 0.959
6 H ALA 2 H ALA 2 -16.394 5.990 3.236
7 HA ALA 2 HA ALA 2 -14.021 5.467 4.824
8 HB1 ALA 2 3HB ALA 2 -15.286 3.050 4.255
9 HB2 ALA 2 1HB ALA 2 -15.530 4.042 5.712
10 HB3 ALA 2 2HB ALA 2 -16.628 4.216 4.322
11 H GLY 3 H GLY 3 -14.818 5.853 1.562
12 HA2 GLY 3 1HA GLY 3 -13.387 3.670 0.417
13 HA3 GLY 3 2HA GLY 3 -13.921 5.136 -0.382
14 H HIS 4 H HIS 4 -12.282 6.190 2.344
15 HA HIS 4 HA HIS 4 -10.104 7.108 0.824
16 HB2 HIS 4 1HB HIS 4 -11.291 7.644 3.334
17 HB3 HIS 4 2HB HIS 4 -9.625 7.221 3.670
18 HD1 HIS 4 HD1 HIS 4 -10.791 9.109 0.567
19 HD2 HIS 4 HD2 HIS 4 -8.642 9.770 4.108
20 HE1 HIS 4 HE1 HIS 4 -9.793 11.449 0.372
21 H GLY 5 H GLY 5 -10.773 4.141 2.526
22 HA2 GLY 5 1HA GLY 5 -8.089 3.423 3.158
23 HA3 GLY 5 2HA GLY 5 -9.493 2.374 3.105
24 H GLN 6 H GLN 6 -9.905 3.612 0.189
25 HA GLN 6 HA GLN 6 -8.663 1.427 -1.084
26 HB2 GLN 6 1HB GLN 6 -10.824 3.068 -1.631
27 HB3 GLN 6 2HB GLN 6 -9.650 3.641 -2.799
28 HG2 GLN 6 1HG GLN 6 -10.358 1.888 -4.081
29 HG3 GLN 6 2HG GLN 6 -9.327 0.913 -3.052
30 HE21 GLN 6 2HE2 GLN 6 -12.586 2.314 -3.229
31 HE22 GLN 6 1HE2 GLN 6 -13.436 1.003 -2.483
32 H ILE 7 H ILE 7 -7.660 4.638 -0.234
33 HA ILE 7 HA ILE 7 -5.752 4.857 -2.386
34 HB ILE 7 HB ILE 7 -6.371 6.552 0.030
35 HG12 ILE 7 1HG1 ILE 7 -8.092 6.558 -1.711
36 HG13 ILE 7 2HG1 ILE 7 -7.296 8.113 -1.583
37 HG21 ILE 7 1HG2 ILE 7 -4.070 6.611 -1.823
38 HG22 ILE 7 2HG2 ILE 7 -4.888 8.169 -1.559
39 HG23 ILE 7 3HG2 ILE 7 -4.244 7.256 -0.173
40 HD11 ILE 7 3HD1 ILE 7 -5.757 7.370 -3.495
41 HD12 ILE 7 1HD1 ILE 7 -6.839 5.972 -3.702
42 HD13 ILE 7 2HD1 ILE 7 -7.463 7.623 -3.936
43 H SER 8 H SER 8 -5.988 3.432 0.785
44 HA SER 8 HA SER 8 -3.275 3.634 1.451
45 HB2 SER 8 1HB SER 8 -5.420 1.658 2.347
46 HB3 SER 8 2HB SER 8 -3.838 1.793 3.091
47 HG SER 8 HG SER 8 -4.402 3.636 4.080
48 H HIS 9 H HIS 9 -5.017 1.778 -0.888
49 HA HIS 9 HA HIS 9 -3.483 -0.571 -0.841
50 HB2 HIS 9 1HB HIS 9 -5.604 0.607 -2.429
51 HB3 HIS 9 2HB HIS 9 -4.417 -0.158 -3.466
52 HD1 HIS 9 HD1 HIS 9 -5.756 -1.294 -0.049
53 HD2 HIS 9 HD2 HIS 9 -5.481 -2.609 -4.023
54 HE1 HIS 9 HE1 HIS 9 -6.695 -3.666 -0.083
55 H LYS 10 H LYS 10 -2.868 2.688 -1.948
56 HA LYS 10 HA LYS 10 -0.951 2.025 -3.922
57 HB2 LYS 10 1HB LYS 10 -0.579 4.331 -4.086
58 HB3 LYS 10 2HB LYS 10 -2.273 4.192 -3.660
59 HG2 LYS 10 1HG LYS 10 -1.610 5.808 -2.120
60 HG3 LYS 10 2HG LYS 10 -1.359 4.363 -1.162
61 HD2 LYS 10 1HD LYS 10 0.960 4.500 -1.291
62 HD3 LYS 10 2HD LYS 10 0.941 5.224 -2.886
63 HE2 LYS 10 1HE LYS 10 -0.309 7.174 -1.309
64 HE3 LYS 10 2HE LYS 10 0.915 6.531 -0.233
65 HZ1 LYS 10 2HZ LYS 10 1.323 7.800 -2.866
66 HZ3 LYS 10 1HZ LYS 10 2.471 6.822 -2.252
67 H ARG 11 H ARG 11 -0.994 1.871 -0.470
68 HA ARG 11 HA ARG 11 1.771 2.384 -0.149
69 HB2 ARG 11 1HB ARG 11 -0.170 0.970 1.749
70 HB3 ARG 11 2HB ARG 11 1.385 1.644 2.192
71 HG2 ARG 11 1HG ARG 11 0.332 3.877 1.119
72 HG3 ARG 11 2HG ARG 11 -1.179 3.075 1.499
73 HD2 ARG 11 1HD ARG 11 -0.950 3.516 3.722
74 HD3 ARG 11 2HD ARG 11 0.671 2.852 3.755
75 HE ARG 11 HE ARG 11 0.048 5.616 3.785
76 HH11 ARG 11 2HH2 ARG 11 2.214 3.437 2.020
77 HH12 ARG 11 1HH2 ARG 11 3.403 4.661 1.721
78 HH22 ARG 11 1HH ARG 11 3.030 6.884 2.537
79 H HIS 12 H HIS 12 0.200 -0.066 -1.708
80 HA HIS 12 HA HIS 12 1.301 -2.371 -0.559
81 HB2 HIS 12 1HB HIS 12 0.118 -1.704 -3.248
82 HB3 HIS 12 2HB HIS 12 0.824 -3.280 -2.948
83 HD1 HIS 12 HD1 HIS 12 -1.170 -1.401 -0.316
84 HD2 HIS 12 HD2 HIS 12 -1.588 -4.674 -2.906
85 HE1 HIS 12 HE1 HIS 12 -3.323 -2.586 0.371
86 H LYS 13 H LYS 13 2.651 0.211 -2.465
87 HA LYS 13 HA LYS 13 4.686 -1.237 -3.754
88 HB2 LYS 13 1HB LYS 13 5.690 0.956 -4.135
89 HB3 LYS 13 2HB LYS 13 3.973 0.979 -4.480
90 HG2 LYS 13 1HG LYS 13 3.500 2.410 -2.738
91 HG3 LYS 13 2HG LYS 13 4.660 1.657 -1.663
92 HD2 LYS 13 1HD LYS 13 6.107 2.925 -3.832
93 HD3 LYS 13 2HD LYS 13 4.964 4.081 -3.177
94 HE2 LYS 13 1HE LYS 13 5.835 3.658 -0.876
95 HE3 LYS 13 2HE LYS 13 6.957 2.470 -1.510
96 HZ1 LYS 13 2HZ LYS 13 8.324 4.099 -2.253
97 HZ3 LYS 13 1HZ LYS 13 7.514 5.103 -1.258
98 H THR 14 H THR 14 4.168 -0.231 -0.438
99 HA THR 14 HA THR 14 6.938 -0.293 0.293
100 HB THR 14 HB THR 14 4.268 -0.180 1.772
101 HG1 THR 14 HG1 THR 14 6.592 1.512 1.196
102 HG21 THR 14 3HG2 THR 14 7.083 0.098 2.946
103 HG22 THR 14 1HG2 THR 14 5.545 0.283 3.822
104 HG23 THR 14 2HG2 THR 14 6.034 -1.316 3.213
105 H ASP 15 H ASP 15 4.403 -2.664 -0.189
106 HA ASP 15 HA ASP 15 5.527 -4.580 1.540
107 HB2 ASP 15 1HB ASP 15 3.512 -4.629 -0.726
108 HB3 ASP 15 2HB ASP 15 4.085 -6.140 -0.048
109 HD2 ASP 15 HD2 ASP 15 0.990 -4.940 1.311
110 H SER 16 H SER 16 6.015 -3.486 -1.800
111 HA SER 16 HA SER 16 7.306 -5.844 -2.669
112 HB2 SER 16 1HB SER 16 6.351 -3.427 -3.833
113 HB3 SER 16 2HB SER 16 8.069 -3.469 -4.176
114 HG SER 16 HG SER 16 7.039 -4.587 -5.848
115 H PHE 17 H PHE 17 8.201 -3.029 -0.796
116 HA PHE 17 HA PHE 17 10.969 -3.069 -1.450
117 HB2 PHE 17 1HB PHE 17 9.026 -1.760 0.443
118 HB3 PHE 17 2HB PHE 17 10.672 -1.842 1.040
119 HD1 PHE 17 HD1 PHE 17 9.201 -1.154 -2.331
120 HD2 PHE 17 HD2 PHE 17 11.718 0.192 0.809
121 HE1 PHE 17 HE1 PHE 17 9.792 0.881 -3.677
122 HE2 PHE 17 HE2 PHE 17 12.308 2.227 -0.537
123 HZ PHE 17 HZ PHE 17 11.338 2.547 -2.764
124 H VAL 18 H VAL 18 8.869 -4.891 0.695
125 HA VAL 18 HA VAL 18 10.907 -5.603 2.554
126 HB VAL 18 HB VAL 18 8.316 -7.045 1.998
127 HG11 VAL 18 1HG1 VAL 18 9.716 -8.227 3.542
128 HG12 VAL 18 2HG1 VAL 18 10.077 -6.739 4.449
129 HG13 VAL 18 3HG1 VAL 18 8.436 -7.428 4.488
130 HG21 VAL 18 3HG2 VAL 18 7.816 -5.299 4.098
131 HG22 VAL 18 1HG2 VAL 18 8.728 -4.304 2.938
132 HG23 VAL 18 2HG2 VAL 18 7.237 -5.128 2.423
133 H GLY 19 H GLY 19 9.736 -6.776 -0.585
134 HA2 GLY 19 1HA GLY 19 11.117 -9.313 -0.351
135 HA3 GLY 19 2HA GLY 19 10.214 -8.704 -1.722
136 H LEU 20 H LEU 20 12.143 -6.137 -0.785
137 HA LEU 20 HA LEU 20 14.046 -6.757 -2.887
138 HB2 LEU 20 1HB LEU 20 12.715 -4.432 -1.942
139 HB3 LEU 20 2HB LEU 20 14.434 -4.184 -1.705
140 HG LEU 20 HG LEU 20 14.752 -4.850 -4.140
141 HD11 LEU 20 1HD1 LEU 20 12.495 -4.235 -5.424
142 HD12 LEU 20 2HD1 LEU 20 12.905 -5.900 -4.944
143 HD13 LEU 20 3HD1 LEU 20 11.782 -4.939 -3.952
144 HD21 LEU 20 3HD2 LEU 20 14.962 -2.555 -3.438
145 HD22 LEU 20 1HD2 LEU 20 14.074 -2.614 -4.980
146 HD23 LEU 20 2HD2 LEU 20 13.195 -2.342 -3.455
147 H MET 21 H MET 21 13.760 -6.675 0.604
148 HA MET 21 HA MET 21 16.487 -6.249 1.127
149 HB2 MET 21 1HB MET 21 14.067 -6.499 2.581
150 HB3 MET 21 2HB MET 21 15.009 -7.877 3.114
151 HG2 MET 21 1HG MET 21 16.866 -5.747 3.093
152 HG3 MET 21 2HG MET 21 15.395 -5.020 3.706
153 HE1 MET 21 3HE MET 21 17.813 -8.442 5.550
154 HE2 MET 21 1HE MET 21 17.559 -8.164 3.810
155 HE3 MET 21 2HE MET 21 18.519 -7.008 4.764
Start of MODEL 4
1 H1 ASP 1 H ASP 1 -15.509 11.832 1.488
2 HA ASP 1 HA ASP 1 -15.374 10.226 0.039
3 HB2 ASP 1 1HB ASP 1 -12.533 10.861 0.621
4 HB3 ASP 1 2HB ASP 1 -12.760 9.255 -0.042
5 HD2 ASP 1 HD2 ASP 1 -13.824 12.325 -2.410
6 H ALA 2 H ALA 2 -15.967 8.038 0.220
7 HA ALA 2 HA ALA 2 -15.319 6.719 2.716
8 HB1 ALA 2 3HB ALA 2 -16.965 5.007 1.711
9 HB2 ALA 2 1HB ALA 2 -17.613 6.614 2.120
10 HB3 ALA 2 2HB ALA 2 -17.241 6.208 0.427
11 H GLY 3 H GLY 3 -14.821 6.361 -0.837
12 HA2 GLY 3 1HA GLY 3 -13.438 3.869 -0.610
13 HA3 GLY 3 2HA GLY 3 -13.548 4.909 -2.015
14 H HIS 4 H HIS 4 -12.594 6.928 0.486
15 HA HIS 4 HA HIS 4 -10.005 7.203 -0.544
16 HB2 HIS 4 1HB HIS 4 -11.701 8.473 1.463
17 HB3 HIS 4 2HB HIS 4 -10.023 8.416 1.967
18 HD1 HIS 4 HD1 HIS 4 -10.318 11.129 1.660
19 HD2 HIS 4 HD2 HIS 4 -10.217 8.812 -1.837
20 HE1 HIS 4 HE1 HIS 4 -9.808 12.741 -0.252
21 H GLY 5 H GLY 5 -11.395 4.934 1.644
22 HA2 GLY 5 1HA GLY 5 -9.087 4.491 3.284
23 HA3 GLY 5 2HA GLY 5 -10.521 3.493 3.159
24 H GLN 6 H GLN 6 -9.977 3.689 0.014
25 HA GLN 6 HA GLN 6 -8.729 1.182 -0.100
26 HB2 GLN 6 1HB GLN 6 -9.445 3.215 -2.253
27 HB3 GLN 6 2HB GLN 6 -8.794 1.630 -2.617
28 HG2 GLN 6 1HG GLN 6 -10.721 0.507 -1.897
29 HG3 GLN 6 2HG GLN 6 -11.167 1.768 -0.763
30 HE21 GLN 6 2HE2 GLN 6 -13.281 1.566 -1.674
31 HE22 GLN 6 1HE2 GLN 6 -13.709 2.397 -3.133
32 H ILE 7 H ILE 7 -7.520 4.405 0.154
33 HA ILE 7 HA ILE 7 -5.091 3.924 -1.295
34 HB ILE 7 HB ILE 7 -6.049 6.160 0.487
35 HG12 ILE 7 1HG1 ILE 7 -5.459 6.544 -2.399
36 HG13 ILE 7 2HG1 ILE 7 -6.860 5.560 -2.027
37 HG21 ILE 7 1HG2 ILE 7 -3.674 6.105 0.739
38 HG22 ILE 7 2HG2 ILE 7 -3.433 5.876 -1.010
39 HG23 ILE 7 3HG2 ILE 7 -4.072 7.418 -0.392
40 HD11 ILE 7 3HD1 ILE 7 -8.064 7.352 -1.308
41 HD12 ILE 7 1HD1 ILE 7 -6.710 7.968 -0.330
42 HD13 ILE 7 2HD1 ILE 7 -6.798 8.347 -2.067
43 H SER 8 H SER 8 -6.366 3.275 1.886
44 HA SER 8 HA SER 8 -3.937 3.348 3.264
45 HB2 SER 8 1HB SER 8 -5.140 2.456 5.079
46 HB3 SER 8 2HB SER 8 -6.380 3.294 4.167
47 HG SER 8 HG SER 8 -7.407 1.435 3.983
48 H HIS 9 H HIS 9 -5.161 1.252 0.833
49 HA HIS 9 HA HIS 9 -3.797 -1.089 1.806
50 HB2 HIS 9 1HB HIS 9 -5.565 -0.434 -0.524
51 HB3 HIS 9 2HB HIS 9 -4.536 -1.849 -0.616
52 HD1 HIS 9 HD1 HIS 9 -4.764 -2.988 2.226
53 HD2 HIS 9 HD2 HIS 9 -8.025 -1.472 0.066
54 HE1 HIS 9 HE1 HIS 9 -6.849 -4.063 3.230
55 H LYS 10 H LYS 10 -2.890 1.805 0.341
56 HA LYS 10 HA LYS 10 -1.117 0.884 -1.636
57 HB2 LYS 10 1HB LYS 10 -0.452 3.102 -1.826
58 HB3 LYS 10 2HB LYS 10 -2.101 3.235 -1.248
59 HG2 LYS 10 1HG LYS 10 -1.156 3.380 1.131
60 HG3 LYS 10 2HG LYS 10 0.443 3.481 0.420
61 HD2 LYS 10 1HD LYS 10 -0.630 5.445 -1.020
62 HD3 LYS 10 2HD LYS 10 -1.829 5.476 0.257
63 HE2 LYS 10 1HE LYS 10 1.174 5.628 0.787
64 HE3 LYS 10 2HE LYS 10 0.163 7.046 0.594
65 HZ1 LYS 10 2HZ LYS 10 0.478 5.487 2.903
66 HZ3 LYS 10 1HZ LYS 10 -1.082 5.352 2.452
67 H ARG 11 H ARG 11 -1.089 0.648 1.803
68 HA ARG 11 HA ARG 11 1.635 0.895 2.244
69 HB2 ARG 11 1HB ARG 11 1.175 -0.282 4.376
70 HB3 ARG 11 2HB ARG 11 -0.083 0.894 4.054
71 HG2 ARG 11 1HG ARG 11 -1.680 -0.752 3.498
72 HG3 ARG 11 2HG ARG 11 -0.464 -1.939 3.066
73 HD2 ARG 11 1HD ARG 11 0.014 -1.334 5.810
74 HD3 ARG 11 2HD ARG 11 -1.726 -1.465 5.660
75 HE ARG 11 HE ARG 11 -1.404 -3.764 5.528
76 HH11 ARG 11 2HH2 ARG 11 1.387 -2.186 4.018
77 HH12 ARG 11 1HH2 ARG 11 2.161 -3.679 3.600
78 HH22 ARG 11 1HH ARG 11 1.102 -5.752 4.173
79 H HIS 12 H HIS 12 -0.126 -1.406 0.436
80 HA HIS 12 HA HIS 12 1.415 -3.703 1.096
81 HB2 HIS 12 1HB HIS 12 -0.585 -3.021 -1.052
82 HB3 HIS 12 2HB HIS 12 0.316 -4.523 -1.108
83 HD1 HIS 12 HD1 HIS 12 -1.660 -2.678 1.633
84 HD2 HIS 12 HD2 HIS 12 -1.130 -6.520 0.035
85 HE1 HIS 12 HE1 HIS 12 -3.200 -4.222 2.957
86 H LYS 13 H LYS 13 1.820 -0.886 -0.936
87 HA LYS 13 HA LYS 13 3.572 -2.062 -2.819
88 HB2 LYS 13 1HB LYS 13 3.150 0.823 -1.986
89 HB3 LYS 13 2HB LYS 13 4.121 0.312 -3.352
90 HG2 LYS 13 1HG LYS 13 1.182 -0.442 -3.015
91 HG3 LYS 13 2HG LYS 13 1.714 0.967 -3.910
92 HD2 LYS 13 1HD LYS 13 1.912 -0.379 -5.728
93 HD3 LYS 13 2HD LYS 13 3.308 -1.099 -4.953
94 HE2 LYS 13 1HE LYS 13 2.186 -3.030 -4.440
95 HE3 LYS 13 2HE LYS 13 0.748 -2.173 -3.922
96 HZ1 LYS 13 2HZ LYS 13 0.630 -1.748 -6.550
97 HZ3 LYS 13 1HZ LYS 13 -0.052 -3.054 -5.855
98 H THR 14 H THR 14 3.867 -1.026 0.513
99 HA THR 14 HA THR 14 6.701 -0.614 0.415
100 HB THR 14 HB THR 14 4.610 -0.911 2.627
101 HG1 THR 14 HG1 THR 14 5.011 1.396 2.626
102 HG21 THR 14 3HG2 THR 14 6.270 -0.928 4.197
103 HG22 THR 14 1HG2 THR 14 7.449 -1.209 2.894
104 HG23 THR 14 2HG2 THR 14 7.064 0.452 3.403
105 H ASP 15 H ASP 15 4.563 -3.379 0.653
106 HA ASP 15 HA ASP 15 6.432 -5.023 1.968
107 HB2 ASP 15 1HB ASP 15 3.894 -5.484 0.370
108 HB3 ASP 15 2HB ASP 15 4.875 -6.855 0.848
109 HD2 ASP 15 HD2 ASP 15 2.172 -6.522 2.244
110 H SER 16 H SER 16 5.761 -3.991 -1.360
111 HA SER 16 HA SER 16 7.121 -6.140 -2.590
112 HB2 SER 16 1HB SER 16 5.770 -3.632 -3.420
113 HB3 SER 16 2HB SER 16 7.115 -4.080 -4.450
114 HG SER 16 HG SER 16 6.142 -6.135 -4.824
115 H PHE 17 H PHE 17 8.035 -3.151 -1.022
116 HA PHE 17 HA PHE 17 10.470 -2.770 -2.443
117 HB2 PHE 17 1HB PHE 17 8.948 -1.711 -0.074
118 HB3 PHE 17 2HB PHE 17 10.686 -1.524 0.053
119 HD1 PHE 17 HD1 PHE 17 8.119 -1.082 -2.636
120 HD2 PHE 17 HD2 PHE 17 11.458 0.542 -0.581
121 HE1 PHE 17 HE1 PHE 17 8.002 0.974 -4.070
122 HE2 PHE 17 HE2 PHE 17 11.341 2.598 -2.014
123 HZ PHE 17 HZ PHE 17 9.614 2.790 -3.743
124 H VAL 18 H VAL 18 9.397 -4.824 0.195
125 HA VAL 18 HA VAL 18 11.924 -5.118 1.440
126 HB VAL 18 HB VAL 18 9.555 -6.994 1.448
127 HG11 VAL 18 1HG1 VAL 18 11.597 -6.516 3.633
128 HG12 VAL 18 2HG1 VAL 18 10.390 -7.820 3.515
129 HG13 VAL 18 3HG1 VAL 18 11.774 -7.785 2.397
130 HG21 VAL 18 3HG2 VAL 18 8.370 -5.567 2.701
131 HG22 VAL 18 1HG2 VAL 18 9.772 -5.189 3.731
132 HG23 VAL 18 2HG2 VAL 18 9.529 -4.312 2.201
133 H GLY 19 H GLY 19 10.291 -6.556 -1.366
134 HA2 GLY 19 1HA GLY 19 12.142 -8.765 -1.565
135 HA3 GLY 19 2HA GLY 19 10.869 -8.324 -2.684
136 H LEU 20 H LEU 20 12.414 -5.436 -2.104
137 HA LEU 20 HA LEU 20 13.936 -5.705 -4.561
138 HB2 LEU 20 1HB LEU 20 12.512 -3.601 -3.159
139 HB3 LEU 20 2HB LEU 20 14.124 -3.088 -3.616
140 HG LEU 20 HG LEU 20 13.146 -4.340 -5.912
141 HD11 LEU 20 1HD1 LEU 20 10.912 -4.442 -5.536
142 HD12 LEU 20 2HD1 LEU 20 10.930 -3.106 -4.359
143 HD13 LEU 20 3HD1 LEU 20 10.999 -2.757 -6.103
144 HD21 LEU 20 3HD2 LEU 20 14.407 -2.038 -5.295
145 HD22 LEU 20 1HD2 LEU 20 13.701 -2.385 -6.892
146 HD23 LEU 20 2HD2 LEU 20 12.797 -1.405 -5.713
147 H MET 21 H MET 21 14.354 -5.612 -1.082
148 HA MET 21 HA MET 21 17.106 -4.833 -1.312
149 HB2 MET 21 1HB MET 21 15.299 -4.411 0.634
150 HB3 MET 21 2HB MET 21 15.823 -5.988 1.192
151 HG2 MET 21 1HG MET 21 17.505 -4.878 2.264
152 HG3 MET 21 2HG MET 21 18.255 -4.730 0.687
153 HE1 MET 21 3HE MET 21 17.961 -1.531 -0.580
154 HE2 MET 21 1HE MET 21 19.217 -1.697 0.669
155 HE3 MET 21 2HE MET 21 18.797 -3.088 -0.359
Start of MODEL 5
1 H1 ASP 1 H ASP 1 -14.436 10.221 4.985
2 HA ASP 1 HA ASP 1 -15.535 9.209 2.742
3 HB2 ASP 1 1HB ASP 1 -12.685 9.623 3.660
4 HB3 ASP 1 2HB ASP 1 -12.954 8.829 2.122
5 HD2 ASP 1 HD2 ASP 1 -12.205 10.472 0.895
6 H ALA 2 H ALA 2 -15.724 7.120 1.828
7 HA ALA 2 HA ALA 2 -14.949 4.913 3.533
8 HB1 ALA 2 3HB ALA 2 -16.944 4.221 2.755
9 HB2 ALA 2 1HB ALA 2 -16.970 5.495 1.512
10 HB3 ALA 2 2HB ALA 2 -16.151 3.948 1.184
11 H GLY 3 H GLY 3 -14.221 6.323 0.303
12 HA2 GLY 3 1HA GLY 3 -12.475 4.204 -0.486
13 HA3 GLY 3 2HA GLY 3 -12.665 5.774 -1.242
14 H HIS 4 H HIS 4 -12.190 6.437 2.007
15 HA HIS 4 HA HIS 4 -9.617 7.451 1.561
16 HB2 HIS 4 1HB HIS 4 -9.913 8.493 3.536
17 HB3 HIS 4 2HB HIS 4 -11.578 7.996 3.310
18 HD1 HIS 4 HD1 HIS 4 -12.539 7.061 5.404
19 HD2 HIS 4 HD2 HIS 4 -8.461 6.156 5.017
20 HE1 HIS 4 HE1 HIS 4 -11.907 5.708 7.474
21 H GLY 5 H GLY 5 -10.828 4.304 2.494
22 HA2 GLY 5 1HA GLY 5 -8.359 3.461 3.755
23 HA3 GLY 5 2HA GLY 5 -9.792 2.501 3.450
24 H GLN 6 H GLN 6 -9.628 3.778 0.526
25 HA GLN 6 HA GLN 6 -8.287 1.530 -0.538
26 HB2 GLN 6 1HB GLN 6 -9.989 3.734 -1.522
27 HB3 GLN 6 2HB GLN 6 -8.740 3.284 -2.666
28 HG2 GLN 6 1HG GLN 6 -10.442 1.783 -3.247
29 HG3 GLN 6 2HG GLN 6 -9.497 0.805 -2.142
30 HE21 GLN 6 2HE2 GLN 6 -12.484 2.323 -2.782
31 HE22 GLN 6 1HE2 GLN 6 -13.343 1.877 -1.345
32 H ILE 7 H ILE 7 -7.363 4.750 0.416
33 HA ILE 7 HA ILE 7 -5.270 5.162 -1.416
34 HB ILE 7 HB ILE 7 -4.592 6.920 0.038
35 HG12 ILE 7 1HG1 ILE 7 -6.180 6.956 2.276
36 HG13 ILE 7 2HG1 ILE 7 -5.831 5.245 2.127
37 HG21 ILE 7 1HG2 ILE 7 -7.511 6.505 -0.419
38 HG22 ILE 7 2HG2 ILE 7 -7.004 7.879 0.594
39 HG23 ILE 7 3HG2 ILE 7 -6.405 7.737 -1.075
40 HD11 ILE 7 3HD1 ILE 7 -4.158 6.835 3.432
41 HD12 ILE 7 1HD1 ILE 7 -3.520 5.541 2.389
42 HD13 ILE 7 2HD1 ILE 7 -3.566 7.219 1.798
43 H SER 8 H SER 8 -5.674 3.051 1.345
44 HA SER 8 HA SER 8 -2.884 2.828 1.841
45 HB2 SER 8 1HB SER 8 -4.796 2.452 3.523
46 HB3 SER 8 2HB SER 8 -5.081 0.917 2.729
47 HG SER 8 HG SER 8 -3.046 0.169 3.355
48 H HIS 9 H HIS 9 -5.183 1.508 -0.415
49 HA HIS 9 HA HIS 9 -3.949 -1.001 -0.794
50 HB2 HIS 9 1HB HIS 9 -6.231 0.425 -1.763
51 HB3 HIS 9 2HB HIS 9 -5.319 -0.135 -3.151
52 HD1 HIS 9 HD1 HIS 9 -5.964 -2.416 -3.912
53 HD2 HIS 9 HD2 HIS 9 -6.577 -1.909 0.206
54 HE1 HIS 9 HE1 HIS 9 -6.989 -4.595 -3.068
55 H LYS 10 H LYS 10 -3.081 2.244 -1.612
56 HA LYS 10 HA LYS 10 -1.565 1.482 -3.947
57 HB2 LYS 10 1HB LYS 10 -1.333 3.725 -4.349
58 HB3 LYS 10 2HB LYS 10 -2.833 3.726 -3.445
59 HG2 LYS 10 1HG LYS 10 -1.232 3.982 -1.334
60 HG3 LYS 10 2HG LYS 10 -0.065 4.535 -2.520
61 HD2 LYS 10 1HD LYS 10 -2.395 5.928 -3.229
62 HD3 LYS 10 2HD LYS 10 -2.470 5.900 -1.478
63 HE2 LYS 10 1HE LYS 10 0.073 6.700 -2.954
64 HE3 LYS 10 2HE LYS 10 -1.182 7.866 -2.589
65 HZ1 LYS 10 2HZ LYS 10 -0.919 7.402 -0.245
66 HZ3 LYS 10 1HZ LYS 10 0.563 7.711 -0.845
67 H ARG 11 H ARG 11 -1.201 1.469 -0.512
68 HA ARG 11 HA ARG 11 1.597 1.923 -0.556
69 HB2 ARG 11 1HB ARG 11 -0.158 0.704 1.636
70 HB3 ARG 11 2HB ARG 11 1.477 1.296 1.857
71 HG2 ARG 11 1HG ARG 11 -0.255 3.312 0.582
72 HG3 ARG 11 2HG ARG 11 -0.891 2.795 2.130
73 HD2 ARG 11 1HD ARG 11 1.930 3.124 2.500
74 HD3 ARG 11 2HD ARG 11 1.391 4.518 1.586
75 HE ARG 11 HE ARG 11 0.468 5.294 3.575
76 HH11 ARG 11 2HH2 ARG 11 0.271 1.756 3.593
77 HH12 ARG 11 1HH2 ARG 11 -0.510 1.684 5.138
78 HH22 ARG 11 1HH ARG 11 -0.991 3.721 6.306
79 H HIS 12 H HIS 12 -0.168 -0.530 -1.827
80 HA HIS 12 HA HIS 12 0.942 -2.824 -0.668
81 HB2 HIS 12 1HB HIS 12 -0.058 -4.007 -2.453
82 HB3 HIS 12 2HB HIS 12 -1.138 -2.684 -2.063
83 HD1 HIS 12 HD1 HIS 12 -0.817 -0.468 -3.722
84 HD2 HIS 12 HD2 HIS 12 0.567 -4.176 -5.113
85 HE1 HIS 12 HE1 HIS 12 -0.583 -0.240 -6.252
86 H LYS 13 H LYS 13 2.131 -0.451 -2.986
87 HA LYS 13 HA LYS 13 4.100 -2.111 -4.156
88 HB2 LYS 13 1HB LYS 13 3.775 0.896 -3.998
89 HB3 LYS 13 2HB LYS 13 5.048 0.105 -4.905
90 HG2 LYS 13 1HG LYS 13 3.491 -0.951 -6.397
91 HG3 LYS 13 2HG LYS 13 2.132 -0.648 -5.331
92 HD2 LYS 13 1HD LYS 13 3.500 1.850 -6.084
93 HD3 LYS 13 2HD LYS 13 2.955 0.962 -7.493
94 HE2 LYS 13 1HE LYS 13 0.884 0.926 -5.430
95 HE3 LYS 13 2HE LYS 13 1.377 2.576 -5.755
96 HZ1 LYS 13 2HZ LYS 13 -0.412 1.447 -7.255
97 HZ3 LYS 13 1HZ LYS 13 0.857 0.791 -8.036
98 H THR 14 H THR 14 3.780 -0.444 -1.093
99 HA THR 14 HA THR 14 6.596 -0.269 -0.588
100 HB THR 14 HB THR 14 4.131 -0.064 1.224
101 HG1 THR 14 HG1 THR 14 4.059 1.912 0.228
102 HG21 THR 14 3HG2 THR 14 6.299 -0.346 2.490
103 HG22 THR 14 1HG2 THR 14 6.981 1.013 1.563
104 HG23 THR 14 2HG2 THR 14 5.617 1.288 2.674
105 H ASP 15 H ASP 15 4.146 -2.764 -0.370
106 HA ASP 15 HA ASP 15 5.474 -4.237 1.627
107 HB2 ASP 15 1HB ASP 15 3.312 -4.824 -0.418
108 HB3 ASP 15 2HB ASP 15 3.998 -6.140 0.513
109 HD2 ASP 15 HD2 ASP 15 1.744 -5.752 2.850
110 H SER 16 H SER 16 5.678 -3.857 -1.896
111 HA SER 16 HA SER 16 7.012 -6.304 -2.355
112 HB2 SER 16 1HB SER 16 5.688 -4.626 -3.976
113 HB3 SER 16 2HB SER 16 7.287 -3.949 -4.217
114 HG SER 16 HG SER 16 6.282 -6.044 -5.466
115 H PHE 17 H PHE 17 7.906 -3.133 -1.180
116 HA PHE 17 HA PHE 17 10.621 -3.227 -2.023
117 HB2 PHE 17 1HB PHE 17 8.755 -1.605 -0.306
118 HB3 PHE 17 2HB PHE 17 10.437 -1.516 0.177
119 HD1 PHE 17 HD2 PHE 17 8.613 -1.501 -3.092
120 HD2 PHE 17 HD1 PHE 17 11.495 0.366 -0.600
121 HE1 PHE 17 HE2 PHE 17 9.031 0.223 -4.868
122 HE2 PHE 17 HE1 PHE 17 11.913 2.090 -2.376
123 HZ PHE 17 HZ PHE 17 10.676 1.998 -4.488
124 H VAL 18 H VAL 18 8.758 -4.619 0.609
125 HA VAL 18 HA VAL 18 10.863 -4.823 2.476
126 HB VAL 18 HB VAL 18 8.384 -6.525 2.163
127 HG11 VAL 18 1HG1 VAL 18 8.919 -6.195 4.864
128 HG12 VAL 18 2HG1 VAL 18 9.275 -7.641 3.891
129 HG13 VAL 18 3HG1 VAL 18 10.534 -6.410 4.147
130 HG21 VAL 18 3HG2 VAL 18 8.356 -3.816 2.393
131 HG22 VAL 18 1HG2 VAL 18 7.096 -4.888 3.048
132 HG23 VAL 18 2HG2 VAL 18 8.395 -4.291 4.108
133 H GLY 19 H GLY 19 9.851 -6.678 -0.377
134 HA2 GLY 19 1HA GLY 19 11.516 -8.952 0.287
135 HA3 GLY 19 2HA GLY 19 10.562 -8.704 -1.163
136 H LEU 20 H LEU 20 12.175 -5.808 -0.723
137 HA LEU 20 HA LEU 20 14.158 -6.574 -2.700
138 HB2 LEU 20 1HB LEU 20 12.536 -4.317 -2.235
139 HB3 LEU 20 2HB LEU 20 14.185 -3.794 -1.952
140 HG LEU 20 HG LEU 20 13.506 -3.383 -4.255
141 HD11 LEU 20 1HD1 LEU 20 15.806 -3.652 -4.116
142 HD12 LEU 20 2HD1 LEU 20 15.690 -5.390 -3.752
143 HD13 LEU 20 3HD1 LEU 20 15.350 -4.800 -5.397
144 HD21 LEU 20 3HD2 LEU 20 13.398 -5.681 -5.652
145 HD22 LEU 20 1HD2 LEU 20 12.661 -6.223 -4.125
146 HD23 LEU 20 2HD2 LEU 20 11.961 -4.848 -5.011
147 H MET 21 H MET 21 13.830 -5.906 0.723
148 HA MET 21 HA MET 21 16.488 -5.087 1.127
149 HB2 MET 21 1HB MET 21 14.063 -5.642 2.682
150 HB3 MET 21 2HB MET 21 15.452 -6.333 3.496
151 HG2 MET 21 1HG MET 21 15.860 -4.248 4.317
152 HG3 MET 21 2HG MET 21 16.393 -3.814 2.704
153 HE1 MET 21 3HE MET 21 12.454 -2.743 4.746
154 HE2 MET 21 1HE MET 21 13.100 -4.401 4.783
155 HE3 MET 21 2HE MET 21 14.034 -3.066 5.498
Start of MODEL 6
1 H1 ASP 1 H ASP 1 -14.152 11.703 2.528
2 HA ASP 1 HA ASP 1 -15.143 10.577 0.881
3 HB2 ASP 1 1HB ASP 1 -12.362 9.703 -0.037
4 HB3 ASP 1 2HB ASP 1 -13.859 9.329 -0.868
5 HD2 ASP 1 HD2 ASP 1 -11.768 11.982 -0.052
6 H ALA 2 H ALA 2 -16.009 8.443 1.140
7 HA ALA 2 HA ALA 2 -14.990 6.941 3.314
8 HB1 ALA 2 3HB ALA 2 -17.424 7.247 2.479
9 HB2 ALA 2 1HB ALA 2 -17.027 5.991 1.281
10 HB3 ALA 2 2HB ALA 2 -16.931 5.624 3.020
11 H GLY 3 H GLY 3 -14.775 6.757 -0.254
12 HA2 GLY 3 1HA GLY 3 -13.661 4.130 -0.323
13 HA3 GLY 3 2HA GLY 3 -13.702 5.311 -1.618
14 H HIS 4 H HIS 4 -12.439 6.969 1.003
15 HA HIS 4 HA HIS 4 -9.871 7.044 -0.112
16 HB2 HIS 4 1HB HIS 4 -11.023 8.861 1.186
17 HB3 HIS 4 2HB HIS 4 -10.744 7.938 2.648
18 HD1 HIS 4 HD1 HIS 4 -8.064 7.399 3.137
19 HD2 HIS 4 HD2 HIS 4 -8.970 10.553 0.524
20 HE1 HIS 4 HE1 HIS 4 -5.963 8.841 3.000
21 H GLY 5 H GLY 5 -11.444 4.843 2.080
22 HA2 GLY 5 1HA GLY 5 -9.226 3.984 3.592
23 HA3 GLY 5 2HA GLY 5 -10.708 3.099 3.293
24 H GLN 6 H GLN 6 -10.032 3.622 0.218
25 HA GLN 6 HA GLN 6 -8.818 1.089 -0.098
26 HB2 GLN 6 1HB GLN 6 -9.789 3.252 -1.984
27 HB3 GLN 6 2HB GLN 6 -8.874 1.893 -2.606
28 HG2 GLN 6 1HG GLN 6 -10.511 0.297 -1.771
29 HG3 GLN 6 2HG GLN 6 -11.337 1.534 -0.844
30 HE21 GLN 6 2HE2 GLN 6 -12.387 3.272 -1.977
31 HE22 GLN 6 1HE2 GLN 6 -13.055 3.022 -3.555
32 H ILE 7 H ILE 7 -7.618 4.243 0.469
33 HA ILE 7 HA ILE 7 -5.308 4.135 -1.169
34 HB ILE 7 HB ILE 7 -6.511 6.142 -0.085
35 HG12 ILE 7 1HG1 ILE 7 -3.583 6.458 0.281
36 HG13 ILE 7 2HG1 ILE 7 -4.093 5.829 -1.274
37 HG21 ILE 7 1HG2 ILE 7 -4.543 5.695 2.150
38 HG22 ILE 7 2HG2 ILE 7 -5.909 6.832 2.059
39 HG23 ILE 7 3HG2 ILE 7 -6.214 5.089 2.247
40 HD11 ILE 7 3HD1 ILE 7 -4.945 7.835 -1.927
41 HD12 ILE 7 1HD1 ILE 7 -5.783 8.072 -0.374
42 HD13 ILE 7 2HD1 ILE 7 -4.068 8.519 -0.536
43 H SER 8 H SER 8 -6.286 2.590 1.795
44 HA SER 8 HA SER 8 -3.763 2.327 2.945
45 HB2 SER 8 1HB SER 8 -6.437 0.992 3.240
46 HB3 SER 8 2HB SER 8 -5.053 0.151 3.909
47 HG SER 8 HG SER 8 -4.759 1.703 5.418
48 H HIS 9 H HIS 9 -5.211 0.928 0.126
49 HA HIS 9 HA HIS 9 -3.835 -1.553 0.217
50 HB2 HIS 9 1HB HIS 9 -4.993 -2.057 -1.662
51 HB3 HIS 9 2HB HIS 9 -5.993 -0.731 -1.103
52 HD1 HIS 9 HD1 HIS 9 -4.922 -1.880 -4.153
53 HD2 HIS 9 HD2 HIS 9 -4.466 1.852 -2.294
54 HE1 HIS 9 HE1 HIS 9 -4.486 -0.198 -6.022
55 H LYS 10 H LYS 10 -2.964 1.726 -0.508
56 HA LYS 10 HA LYS 10 -0.934 1.150 -2.402
57 HB2 LYS 10 1HB LYS 10 -2.197 3.365 -1.928
58 HB3 LYS 10 2HB LYS 10 -1.035 3.594 -0.638
59 HG2 LYS 10 1HG LYS 10 0.321 4.497 -2.230
60 HG3 LYS 10 2HG LYS 10 0.615 2.848 -2.743
61 HD2 LYS 10 1HD LYS 10 -0.791 3.011 -4.590
62 HD3 LYS 10 2HD LYS 10 -1.876 4.142 -3.806
63 HE2 LYS 10 1HE LYS 10 -0.803 5.909 -4.745
64 HE3 LYS 10 2HE LYS 10 0.732 5.391 -4.074
65 HZ1 LYS 10 2HZ LYS 10 0.466 3.648 -6.079
66 HZ3 LYS 10 1HZ LYS 10 1.207 5.085 -6.269
67 H ARG 11 H ARG 11 -1.246 0.871 1.072
68 HA ARG 11 HA ARG 11 1.440 1.183 1.708
69 HB2 ARG 11 1HB ARG 11 -0.961 -0.104 3.019
70 HB3 ARG 11 2HB ARG 11 0.619 -0.448 3.695
71 HG2 ARG 11 1HG ARG 11 0.809 1.637 4.601
72 HG3 ARG 11 2HG ARG 11 0.296 2.420 3.119
73 HD2 ARG 11 1HD ARG 11 -1.620 2.936 4.250
74 HD3 ARG 11 2HD ARG 11 -2.079 1.265 3.984
75 HE ARG 11 HE ARG 11 -1.063 2.431 6.501
76 HH11 ARG 11 2HH2 ARG 11 -1.856 -0.529 4.724
77 HH12 ARG 11 1HH2 ARG 11 -1.975 -1.503 6.152
78 HH22 ARG 11 1HH ARG 11 -1.598 -0.496 8.294
79 H HIS 12 H HIS 12 -0.334 -1.341 0.085
80 HA HIS 12 HA HIS 12 1.289 -3.516 0.857
81 HB2 HIS 12 1HB HIS 12 -0.731 -3.005 -1.309
82 HB3 HIS 12 2HB HIS 12 0.252 -4.455 -1.364
83 HD1 HIS 12 HD1 HIS 12 -1.248 -2.876 1.779
84 HD2 HIS 12 HD2 HIS 12 -1.596 -6.334 -0.569
85 HE1 HIS 12 HE1 HIS 12 -2.822 -4.439 3.039
86 H LYS 13 H LYS 13 1.732 -0.794 -1.255
87 HA LYS 13 HA LYS 13 3.515 -2.047 -3.073
88 HB2 LYS 13 1HB LYS 13 3.010 0.863 -2.389
89 HB3 LYS 13 2HB LYS 13 4.059 0.323 -3.685
90 HG2 LYS 13 1HG LYS 13 1.141 -0.542 -3.464
91 HG3 LYS 13 2HG LYS 13 1.638 0.887 -4.349
92 HD2 LYS 13 1HD LYS 13 2.365 -0.343 -6.123
93 HD3 LYS 13 2HD LYS 13 3.285 -1.423 -5.095
94 HE2 LYS 13 1HE LYS 13 1.661 -3.025 -5.146
95 HE3 LYS 13 2HE LYS 13 0.395 -1.868 -4.783
96 HZ1 LYS 13 2HZ LYS 13 1.324 -2.785 -7.383
97 HZ3 LYS 13 1HZ LYS 13 0.940 -1.203 -7.309
98 H THR 14 H THR 14 3.733 -0.852 0.211
99 HA THR 14 HA THR 14 6.562 -0.405 0.148
100 HB THR 14 HB THR 14 4.392 -0.574 2.287
101 HG1 THR 14 HG1 THR 14 6.295 1.461 1.370
102 HG21 THR 14 3HG2 THR 14 7.315 0.229 2.698
103 HG22 THR 14 1HG2 THR 14 6.037 0.150 3.933
104 HG23 THR 14 2HG2 THR 14 6.665 -1.347 3.206
105 H ASP 15 H ASP 15 4.458 -3.186 0.469
106 HA ASP 15 HA ASP 15 6.312 -4.742 1.901
107 HB2 ASP 15 1HB ASP 15 3.758 -5.198 0.382
108 HB3 ASP 15 2HB ASP 15 4.776 -6.602 0.642
109 HD2 ASP 15 HD2 ASP 15 2.167 -5.492 3.007
110 H SER 16 H SER 16 5.680 -3.912 -1.501
111 HA SER 16 HA SER 16 7.057 -6.073 -2.627
112 HB2 SER 16 1HB SER 16 6.796 -4.926 -4.705
113 HB3 SER 16 2HB SER 16 5.374 -4.516 -3.765
114 HG SER 16 HG SER 16 6.631 -2.528 -3.097
115 H PHE 17 H PHE 17 8.022 -3.023 -1.151
116 HA PHE 17 HA PHE 17 10.560 -2.869 -2.426
117 HB2 PHE 17 1HB PHE 17 8.842 -1.322 -0.760
118 HB3 PHE 17 2HB PHE 17 10.226 -1.648 0.264
119 HD1 PHE 17 HD1 PHE 17 12.525 -0.977 -0.558
120 HD2 PHE 17 HD2 PHE 17 8.956 0.305 -2.463
121 HE1 PHE 17 HE1 PHE 17 13.786 0.886 -1.670
122 HE2 PHE 17 HE2 PHE 17 10.218 2.169 -3.573
123 HZ PHE 17 HZ PHE 17 12.618 2.437 -3.164
124 H VAL 18 H VAL 18 9.210 -4.649 0.288
125 HA VAL 18 HA VAL 18 11.588 -4.958 1.761
126 HB VAL 18 HB VAL 18 9.177 -6.776 1.590
127 HG11 VAL 18 1HG1 VAL 18 10.093 -7.975 3.234
128 HG12 VAL 18 2HG1 VAL 18 11.596 -7.051 3.003
129 HG13 VAL 18 3HG1 VAL 18 10.396 -6.514 4.203
130 HG21 VAL 18 3HG2 VAL 18 9.057 -4.121 2.188
131 HG22 VAL 18 1HG2 VAL 18 7.959 -5.353 2.857
132 HG23 VAL 18 2HG2 VAL 18 9.372 -4.812 3.797
133 H GLY 19 H GLY 19 10.238 -6.507 -1.135
134 HA2 GLY 19 1HA GLY 19 12.096 -8.726 -1.036
135 HA3 GLY 19 2HA GLY 19 10.919 -8.364 -2.282
136 H LEU 20 H LEU 20 12.435 -5.442 -1.699
137 HA LEU 20 HA LEU 20 14.126 -5.816 -4.029
138 HB2 LEU 20 1HB LEU 20 12.646 -3.636 -2.791
139 HB3 LEU 20 2HB LEU 20 14.285 -3.168 -3.200
140 HG LEU 20 HG LEU 20 13.376 -4.520 -5.474
141 HD11 LEU 20 1HD1 LEU 20 11.078 -4.250 -4.304
142 HD12 LEU 20 2HD1 LEU 20 11.225 -2.539 -4.774
143 HD13 LEU 20 3HD1 LEU 20 11.238 -3.808 -6.021
144 HD21 LEU 20 3HD2 LEU 20 14.825 -2.649 -5.618
145 HD22 LEU 20 1HD2 LEU 20 13.320 -2.193 -6.453
146 HD23 LEU 20 2HD2 LEU 20 13.650 -1.582 -4.813
147 H MET 21 H MET 21 14.296 -5.605 -0.538
148 HA MET 21 HA MET 21 16.942 -4.662 -0.421
149 HB2 MET 21 1HB MET 21 14.810 -5.521 1.381
150 HB3 MET 21 2HB MET 21 16.306 -6.286 1.878
151 HG2 MET 21 1HG MET 21 16.662 -3.428 1.186
152 HG3 MET 21 2HG MET 21 15.525 -3.670 2.499
153 HE1 MET 21 3HE MET 21 17.715 -2.200 3.893
154 HE2 MET 21 1HE MET 21 19.365 -2.826 3.662
155 HE3 MET 21 2HE MET 21 18.403 -2.313 2.255
Start of MODEL 7
1 H1 ASP 1 H ASP 1 -13.574 11.999 1.887
2 HA ASP 1 HA ASP 1 -15.418 10.513 0.598
3 HB2 ASP 1 1HB ASP 1 -12.424 9.930 0.538
4 HB3 ASP 1 2HB ASP 1 -13.571 9.649 -0.756
5 HD2 ASP 1 HD2 ASP 1 -11.227 12.244 -0.225
6 H ALA 2 H ALA 2 -15.840 8.198 0.432
7 HA ALA 2 HA ALA 2 -15.124 6.742 2.840
8 HB1 ALA 2 3HB ALA 2 -17.173 6.483 0.641
9 HB2 ALA 2 1HB ALA 2 -16.774 5.070 1.649
10 HB3 ALA 2 2HB ALA 2 -17.408 6.551 2.404
11 H GLY 3 H GLY 3 -14.504 6.832 -0.668
12 HA2 GLY 3 1HA GLY 3 -13.279 4.250 -0.794
13 HA3 GLY 3 2HA GLY 3 -13.241 5.516 -2.007
14 H HIS 4 H HIS 4 -12.348 6.983 0.890
15 HA HIS 4 HA HIS 4 -9.693 7.302 0.056
16 HB2 HIS 4 1HB HIS 4 -9.623 8.906 1.628
17 HB3 HIS 4 2HB HIS 4 -11.359 8.671 1.673
18 HD1 HIS 4 HD1 HIS 4 -8.418 6.872 3.386
19 HD2 HIS 4 HD2 HIS 4 -12.159 8.551 4.267
20 HE1 HIS 4 HE1 HIS 4 -8.785 6.527 5.887
21 H GLY 5 H GLY 5 -11.320 4.757 1.738
22 HA2 GLY 5 1HA GLY 5 -9.150 3.869 3.364
23 HA3 GLY 5 2HA GLY 5 -10.604 2.986 2.942
24 H GLN 6 H GLN 6 -9.818 3.782 -0.054
25 HA GLN 6 HA GLN 6 -8.573 1.295 -0.543
26 HB2 GLN 6 1HB GLN 6 -9.358 3.640 -2.312
27 HB3 GLN 6 2HB GLN 6 -8.546 2.230 -2.962
28 HG2 GLN 6 1HG GLN 6 -11.157 2.133 -1.378
29 HG3 GLN 6 2HG GLN 6 -11.063 2.110 -3.129
30 HE21 GLN 6 2HE2 GLN 6 -11.139 0.289 -0.336
31 HE22 GLN 6 1HE2 GLN 6 -10.637 -1.253 -0.948
32 H ILE 7 H ILE 7 -7.475 4.564 0.060
33 HA ILE 7 HA ILE 7 -4.985 4.294 -1.304
34 HB ILE 7 HB ILE 7 -6.158 6.269 0.633
35 HG12 ILE 7 1HG1 ILE 7 -5.179 6.713 -2.191
36 HG13 ILE 7 2HG1 ILE 7 -6.799 6.137 -1.851
37 HG21 ILE 7 1HG2 ILE 7 -3.812 6.123 1.222
38 HG22 ILE 7 2HG2 ILE 7 -3.342 6.278 -0.488
39 HG23 ILE 7 3HG2 ILE 7 -4.127 7.641 0.347
40 HD11 ILE 7 3HD1 ILE 7 -5.774 8.838 -1.687
41 HD12 ILE 7 1HD1 ILE 7 -7.448 8.270 -1.476
42 HD13 ILE 7 2HD1 ILE 7 -6.346 8.334 -0.078
43 H SER 8 H SER 8 -6.291 2.815 1.435
44 HA SER 8 HA SER 8 -3.866 2.865 2.955
45 HB2 SER 8 1HB SER 8 -6.351 2.730 3.813
46 HB3 SER 8 2HB SER 8 -6.213 1.017 3.469
47 HG SER 8 HG SER 8 -5.343 2.338 5.650
48 H HIS 9 H HIS 9 -5.445 0.904 0.491
49 HA HIS 9 HA HIS 9 -4.096 -1.507 1.086
50 HB2 HIS 9 1HB HIS 9 -4.979 -2.285 -1.017
51 HB3 HIS 9 2HB HIS 9 -6.219 -1.405 -0.147
52 HD1 HIS 9 HD1 HIS 9 -7.611 -0.527 -2.066
53 HD2 HIS 9 HD2 HIS 9 -3.525 0.308 -2.515
54 HE1 HIS 9 HE1 HIS 9 -7.415 1.022 -4.085
55 H LYS 10 H LYS 10 -3.060 1.510 -0.144
56 HA LYS 10 HA LYS 10 -1.137 0.540 -2.002
57 HB2 LYS 10 1HB LYS 10 -1.729 3.190 -0.702
58 HB3 LYS 10 2HB LYS 10 -0.242 2.963 -1.601
59 HG2 LYS 10 1HG LYS 10 -1.541 2.232 -3.598
60 HG3 LYS 10 2HG LYS 10 -3.037 2.405 -2.702
61 HD2 LYS 10 1HD LYS 10 -2.910 4.448 -3.873
62 HD3 LYS 10 2HD LYS 10 -2.279 4.879 -2.296
63 HE2 LYS 10 1HE LYS 10 -0.027 3.938 -3.748
64 HE3 LYS 10 2HE LYS 10 -0.927 4.909 -4.895
65 HZ1 LYS 10 2HZ LYS 10 0.328 5.754 -2.389
66 HZ3 LYS 10 1HZ LYS 10 -1.023 6.544 -2.838
67 H ARG 11 H ARG 11 -1.395 0.557 1.437
68 HA ARG 11 HA ARG 11 1.270 0.959 2.079
69 HB2 ARG 11 1HB ARG 11 -1.154 -0.187 3.409
70 HB3 ARG 11 2HB ARG 11 0.376 -0.722 4.076
71 HG2 ARG 11 1HG ARG 11 0.224 1.212 5.304
72 HG3 ARG 11 2HG ARG 11 0.900 1.949 3.866
73 HD2 ARG 11 1HD ARG 11 -1.319 2.589 3.057
74 HD3 ARG 11 2HD ARG 11 -2.106 1.655 4.313
75 HE ARG 11 HE ARG 11 -1.607 3.346 5.889
76 HH11 ARG 11 2HH2 ARG 11 0.076 3.994 2.839
77 HH12 ARG 11 1HH2 ARG 11 0.532 5.603 3.289
78 HH22 ARG 11 1HH ARG 11 -0.116 6.450 5.435
79 H HIS 12 H HIS 12 -0.275 -1.575 0.361
80 HA HIS 12 HA HIS 12 1.391 -3.696 1.301
81 HB2 HIS 12 1HB HIS 12 -0.647 -3.391 -0.897
82 HB3 HIS 12 2HB HIS 12 0.366 -4.818 -0.808
83 HD1 HIS 12 HD1 HIS 12 -1.324 -2.955 2.085
84 HD2 HIS 12 HD2 HIS 12 -1.349 -6.702 0.200
85 HE1 HIS 12 HE1 HIS 12 -2.857 -4.446 3.477
86 H LYS 13 H LYS 13 1.647 -1.064 -0.964
87 HA LYS 13 HA LYS 13 3.425 -2.279 -2.783
88 HB2 LYS 13 1HB LYS 13 2.620 0.539 -2.115
89 HB3 LYS 13 2HB LYS 13 3.996 0.259 -3.163
90 HG2 LYS 13 1HG LYS 13 2.687 -0.836 -4.816
91 HG3 LYS 13 2HG LYS 13 1.397 -1.208 -3.692
92 HD2 LYS 13 1HD LYS 13 0.933 1.293 -3.508
93 HD3 LYS 13 2HD LYS 13 2.112 1.555 -4.776
94 HE2 LYS 13 1HE LYS 13 0.757 -0.043 -6.247
95 HE3 LYS 13 2HE LYS 13 -0.471 -0.058 -4.998
96 HZ1 LYS 13 2HZ LYS 13 0.370 2.222 -6.671
97 HZ3 LYS 13 1HZ LYS 13 -0.366 2.500 -5.245
98 H THR 14 H THR 14 3.735 -1.062 0.490
99 HA THR 14 HA THR 14 6.558 -0.597 0.333
100 HB THR 14 HB THR 14 4.449 -0.750 2.531
101 HG1 THR 14 HG1 THR 14 5.335 1.552 2.569
102 HG21 THR 14 3HG2 THR 14 7.379 0.052 2.884
103 HG22 THR 14 1HG2 THR 14 6.127 -0.058 4.145
104 HG23 THR 14 2HG2 THR 14 6.755 -1.539 3.382
105 H ASP 15 H ASP 15 4.483 -3.389 0.743
106 HA ASP 15 HA ASP 15 6.400 -4.921 2.123
107 HB2 ASP 15 1HB ASP 15 3.857 -5.520 0.580
108 HB3 ASP 15 2HB ASP 15 4.873 -6.842 1.121
109 HD2 ASP 15 HD2 ASP 15 4.299 -6.473 4.411
110 H SER 16 H SER 16 5.676 -4.080 -1.248
111 HA SER 16 HA SER 16 7.069 -6.264 -2.376
112 HB2 SER 16 1HB SER 16 5.221 -4.832 -3.459
113 HB3 SER 16 2HB SER 16 6.442 -3.601 -3.711
114 HG SER 16 HG SER 16 6.360 -6.272 -4.806
115 H PHE 17 H PHE 17 7.936 -3.179 -0.977
116 HA PHE 17 HA PHE 17 10.349 -2.824 -2.442
117 HB2 PHE 17 1HB PHE 17 8.667 -1.431 -0.611
118 HB3 PHE 17 2HB PHE 17 10.147 -1.678 0.294
119 HD1 PHE 17 HD1 PHE 17 9.471 -0.867 -3.294
120 HD2 PHE 17 HD2 PHE 17 11.382 0.262 0.324
121 HE1 PHE 17 HE1 PHE 17 10.510 1.100 -4.456
122 HE2 PHE 17 HE2 PHE 17 12.421 2.230 -0.839
123 HZ PHE 17 HZ PHE 17 11.973 2.625 -3.214
124 H VAL 18 H VAL 18 9.342 -4.754 0.314
125 HA VAL 18 HA VAL 18 11.858 -4.922 1.580
126 HB VAL 18 HB VAL 18 9.544 -6.869 1.601
127 HG11 VAL 18 1HG1 VAL 18 12.102 -6.723 3.034
128 HG12 VAL 18 2HG1 VAL 18 10.693 -6.847 4.114
129 HG13 VAL 18 3HG1 VAL 18 10.961 -8.078 2.856
130 HG21 VAL 18 3HG2 VAL 18 9.247 -4.276 2.207
131 HG22 VAL 18 1HG2 VAL 18 8.416 -5.571 3.102
132 HG23 VAL 18 2HG2 VAL 18 9.900 -4.843 3.763
133 H GLY 19 H GLY 19 10.338 -6.522 -1.203
134 HA2 GLY 19 1HA GLY 19 12.322 -8.630 -1.303
135 HA3 GLY 19 2HA GLY 19 11.016 -8.328 -2.431
136 H LEU 20 H LEU 20 12.412 -5.327 -1.949
137 HA LEU 20 HA LEU 20 13.896 -5.581 -4.431
138 HB2 LEU 20 1HB LEU 20 12.222 -3.642 -3.299
139 HB3 LEU 20 2HB LEU 20 13.825 -2.939 -3.257
140 HG LEU 20 HG LEU 20 12.686 -2.286 -5.283
141 HD11 LEU 20 1HD1 LEU 20 14.838 -4.309 -5.960
142 HD12 LEU 20 2HD1 LEU 20 14.342 -2.901 -6.929
143 HD13 LEU 20 3HD1 LEU 20 15.134 -2.663 -5.352
144 HD21 LEU 20 3HD2 LEU 20 11.130 -3.692 -6.056
145 HD22 LEU 20 1HD2 LEU 20 12.469 -4.467 -6.934
146 HD23 LEU 20 2HD2 LEU 20 11.936 -5.122 -5.367
147 H MET 21 H MET 21 14.378 -5.393 -0.967
148 HA MET 21 HA MET 21 16.956 -4.290 -1.067
149 HB2 MET 21 1HB MET 21 15.392 -5.951 0.970
150 HB3 MET 21 2HB MET 21 17.032 -5.429 1.304
151 HG2 MET 21 1HG MET 21 15.338 -3.222 0.302
152 HG3 MET 21 2HG MET 21 14.701 -3.935 1.771
153 HE1 MET 21 3HE MET 21 15.387 -3.924 3.741
154 HE2 MET 21 1HE MET 21 17.097 -4.130 4.189
155 HE3 MET 21 2HE MET 21 16.304 -2.552 4.411
Start of MODEL 8
1 H1 ASP 1 H ASP 1 -16.120 10.482 3.354
2 HA ASP 1 HA ASP 1 -14.905 9.722 1.724
3 HB2 ASP 1 1HB ASP 1 -12.681 9.247 3.755
4 HB3 ASP 1 2HB ASP 1 -12.494 9.616 2.051
5 HD2 ASP 1 HD2 ASP 1 -13.105 11.874 1.472
6 H ALA 2 H ALA 2 -15.545 7.705 0.923
7 HA ALA 2 HA ALA 2 -15.147 5.358 2.584
8 HB1 ALA 2 3HB ALA 2 -16.265 4.852 -0.042
9 HB2 ALA 2 1HB ALA 2 -17.024 4.670 1.558
10 HB3 ALA 2 2HB ALA 2 -17.086 6.237 0.716
11 H GLY 3 H GLY 3 -14.037 6.852 -0.490
12 HA2 GLY 3 1HA GLY 3 -12.487 4.605 -1.319
13 HA3 GLY 3 2HA GLY 3 -12.426 6.239 -1.950
14 H HIS 4 H HIS 4 -12.141 6.624 1.356
15 HA HIS 4 HA HIS 4 -9.429 7.305 1.182
16 HB2 HIS 4 1HB HIS 4 -11.361 8.125 2.756
17 HB3 HIS 4 2HB HIS 4 -10.837 6.811 3.791
18 HD1 HIS 4 HD1 HIS 4 -10.061 8.591 5.576
19 HD2 HIS 4 HD2 HIS 4 -8.003 8.739 1.924
20 HE1 HIS 4 HE1 HIS 4 -7.991 10.030 5.979
21 H GLY 5 H GLY 5 -11.098 4.297 1.736
22 HA2 GLY 5 1HA GLY 5 -9.068 3.013 3.283
23 HA3 GLY 5 2HA GLY 5 -10.415 2.263 2.450
24 H GLN 6 H GLN 6 -9.419 3.892 -0.086
25 HA GLN 6 HA GLN 6 -7.927 1.715 -1.097
26 HB2 GLN 6 1HB GLN 6 -8.849 4.377 -2.223
27 HB3 GLN 6 2HB GLN 6 -7.770 3.347 -3.144
28 HG2 GLN 6 1HG GLN 6 -10.265 2.132 -1.939
29 HG3 GLN 6 2HG GLN 6 -10.419 3.112 -3.383
30 HE21 GLN 6 2HE2 GLN 6 -9.050 0.232 -1.967
31 HE22 GLN 6 1HE2 GLN 6 -8.656 -0.604 -3.432
32 H ILE 7 H ILE 7 -7.181 4.749 0.477
33 HA ILE 7 HA ILE 7 -4.629 5.149 -0.663
34 HB ILE 7 HB ILE 7 -5.909 6.102 1.898
35 HG12 ILE 7 1HG1 ILE 7 -6.926 6.801 -0.297
36 HG13 ILE 7 2HG1 ILE 7 -6.394 8.110 0.743
37 HG21 ILE 7 1HG2 ILE 7 -3.380 6.023 1.966
38 HG22 ILE 7 2HG2 ILE 7 -3.393 7.213 0.642
39 HG23 ILE 7 3HG2 ILE 7 -4.122 7.622 2.214
40 HD11 ILE 7 3HD1 ILE 7 -4.313 7.111 -1.139
41 HD12 ILE 7 1HD1 ILE 7 -5.721 7.882 -1.909
42 HD13 ILE 7 2HD1 ILE 7 -4.756 8.782 -0.714
43 H SER 8 H SER 8 -5.932 2.916 1.691
44 HA SER 8 HA SER 8 -3.376 2.462 2.892
45 HB2 SER 8 1HB SER 8 -6.040 2.048 3.662
46 HB3 SER 8 2HB SER 8 -5.452 0.423 3.370
47 HG SER 8 HG SER 8 -3.525 1.137 4.746
48 H HIS 9 H HIS 9 -4.920 1.592 -0.007
49 HA HIS 9 HA HIS 9 -3.875 -1.090 -0.103
50 HB2 HIS 9 1HB HIS 9 -5.945 -0.892 -1.157
51 HB3 HIS 9 2HB HIS 9 -5.541 0.637 -1.911
52 HD1 HIS 9 HD1 HIS 9 -4.618 -3.064 -2.183
53 HD2 HIS 9 HD2 HIS 9 -4.623 0.433 -4.496
54 HE1 HIS 9 HE1 HIS 9 -3.984 -3.773 -4.550
55 H LYS 10 H LYS 10 -2.618 2.028 -0.426
56 HA LYS 10 HA LYS 10 -0.848 1.406 -2.622
57 HB2 LYS 10 1HB LYS 10 -0.256 3.647 -2.592
58 HB3 LYS 10 2HB LYS 10 -1.933 3.688 -2.085
59 HG2 LYS 10 1HG LYS 10 -1.103 4.973 -0.369
60 HG3 LYS 10 2HG LYS 10 -0.762 3.415 0.358
61 HD2 LYS 10 1HD LYS 10 1.369 4.270 0.514
62 HD3 LYS 10 2HD LYS 10 1.499 3.673 -1.128
63 HE2 LYS 10 1HE LYS 10 1.379 5.798 -2.070
64 HE3 LYS 10 2HE LYS 10 0.339 6.423 -0.806
65 HZ1 LYS 10 2HZ LYS 10 3.267 6.059 -0.708
66 HZ3 LYS 10 1HZ LYS 10 2.415 6.171 0.675
67 H ARG 11 H ARG 11 -1.021 0.901 0.789
68 HA ARG 11 HA ARG 11 1.763 1.056 1.238
69 HB2 ARG 11 1HB ARG 11 1.243 0.232 3.469
70 HB3 ARG 11 2HB ARG 11 -0.029 1.351 3.018
71 HG2 ARG 11 1HG ARG 11 -1.511 -0.302 3.493
72 HG3 ARG 11 2HG ARG 11 -0.965 -1.106 2.035
73 HD2 ARG 11 1HD ARG 11 0.023 -2.763 3.237
74 HD3 ARG 11 2HD ARG 11 0.943 -1.607 4.178
75 HE ARG 11 HE ARG 11 -1.302 -3.038 5.128
76 HH11 ARG 11 2HH2 ARG 11 -0.206 0.330 5.051
77 HH12 ARG 11 1HH2 ARG 11 -1.054 0.770 6.496
78 HH22 ARG 11 1HH ARG 11 -2.350 -0.886 7.646
79 H HIS 12 H HIS 12 -0.239 -1.143 -0.410
80 HA HIS 12 HA HIS 12 1.025 -3.553 0.426
81 HB2 HIS 12 1HB HIS 12 -0.497 -4.613 -0.892
82 HB3 HIS 12 2HB HIS 12 -1.342 -3.098 -0.640
83 HD1 HIS 12 HD1 HIS 12 -0.296 -1.224 -2.704
84 HD2 HIS 12 HD2 HIS 12 -0.823 -5.309 -3.500
85 HE1 HIS 12 HE1 HIS 12 -0.487 -1.440 -5.239
86 H LYS 13 H LYS 13 1.502 -1.089 -2.108
87 HA LYS 13 HA LYS 13 3.322 -2.668 -3.614
88 HB2 LYS 13 1HB LYS 13 3.729 -0.594 -4.841
89 HB3 LYS 13 2HB LYS 13 2.014 -0.889 -4.642
90 HG2 LYS 13 1HG LYS 13 1.716 0.994 -3.383
91 HG3 LYS 13 2HG LYS 13 3.133 0.674 -2.403
92 HD2 LYS 13 1HD LYS 13 3.676 2.681 -3.556
93 HD3 LYS 13 2HD LYS 13 4.537 1.439 -4.443
94 HE2 LYS 13 1HE LYS 13 2.977 1.461 -6.248
95 HE3 LYS 13 2HE LYS 13 1.729 2.230 -5.286
96 HZ1 LYS 13 2HZ LYS 13 2.497 4.198 -6.005
97 HZ3 LYS 13 1HZ LYS 13 3.688 3.487 -6.858
98 H THR 14 H THR 14 3.495 -0.624 -0.742
99 HA THR 14 HA THR 14 6.331 -0.239 -0.900
100 HB THR 14 HB THR 14 5.984 0.882 1.235
101 HG1 THR 14 HG1 THR 14 3.741 0.460 2.191
102 HG21 THR 14 3HG2 THR 14 4.715 1.864 -0.855
103 HG22 THR 14 1HG2 THR 14 3.258 1.195 -0.083
104 HG23 THR 14 2HG2 THR 14 4.227 2.426 0.761
105 H ASP 15 H ASP 15 4.179 -2.776 0.217
106 HA ASP 15 HA ASP 15 5.994 -3.876 2.050
107 HB2 ASP 15 1HB ASP 15 3.540 -4.879 0.577
108 HB3 ASP 15 2HB ASP 15 4.501 -6.003 1.517
109 HD2 ASP 15 HD2 ASP 15 3.863 -5.777 4.059
110 H SER 16 H SER 16 5.498 -3.994 -1.459
111 HA SER 16 HA SER 16 6.916 -6.404 -1.855
112 HB2 SER 16 1HB SER 16 5.166 -5.261 -3.399
113 HB3 SER 16 2HB SER 16 6.478 -4.227 -3.930
114 HG SER 16 HG SER 16 5.916 -6.835 -4.636
115 H PHE 17 H PHE 17 7.756 -3.058 -1.291
116 HA PHE 17 HA PHE 17 10.260 -3.116 -2.637
117 HB2 PHE 17 1HB PHE 17 8.620 -1.377 -0.812
118 HB3 PHE 17 2HB PHE 17 10.350 -1.133 -0.666
119 HD1 PHE 17 HD2 PHE 17 11.663 -0.505 -2.733
120 HD2 PHE 17 HD1 PHE 17 7.421 -0.478 -2.633
121 HE1 PHE 17 HE2 PHE 17 11.624 0.983 -4.755
122 HE2 PHE 17 HE1 PHE 17 7.382 1.008 -4.655
123 HZ PHE 17 HZ PHE 17 9.484 1.721 -5.692
124 H VAL 18 H VAL 18 9.049 -4.207 0.479
125 HA VAL 18 HA VAL 18 11.554 -4.084 1.824
126 HB VAL 18 HB VAL 18 9.086 -5.724 2.429
127 HG11 VAL 18 1HG1 VAL 18 10.056 -6.350 4.349
128 HG12 VAL 18 2HG1 VAL 18 11.589 -5.810 3.622
129 HG13 VAL 18 3HG1 VAL 18 10.667 -4.710 4.675
130 HG21 VAL 18 3HG2 VAL 18 8.636 -3.270 2.139
131 HG22 VAL 18 1HG2 VAL 18 8.295 -3.892 3.770
132 HG23 VAL 18 2HG2 VAL 18 9.778 -2.958 3.467
133 H GLY 19 H GLY 19 9.889 -6.365 -0.329
134 HA2 GLY 19 1HA GLY 19 11.684 -8.549 0.301
135 HA3 GLY 19 2HA GLY 19 10.401 -8.521 -0.892
136 H LEU 20 H LEU 20 12.048 -5.652 -1.375
137 HA LEU 20 HA LEU 20 13.491 -6.818 -3.608
138 HB2 LEU 20 1HB LEU 20 12.036 -4.433 -3.139
139 HB3 LEU 20 2HB LEU 20 13.699 -3.965 -3.429
140 HG LEU 20 HG LEU 20 13.573 -5.475 -5.520
141 HD11 LEU 20 1HD1 LEU 20 11.696 -6.720 -5.560
142 HD12 LEU 20 2HD1 LEU 20 10.779 -5.574 -4.554
143 HD13 LEU 20 3HD1 LEU 20 10.988 -5.260 -6.292
144 HD21 LEU 20 3HD2 LEU 20 12.089 -3.542 -6.644
145 HD22 LEU 20 1HD2 LEU 20 12.443 -2.764 -5.082
146 HD23 LEU 20 2HD2 LEU 20 13.777 -3.307 -6.130
147 H MET 21 H MET 21 14.008 -5.544 -0.384
148 HA MET 21 HA MET 21 16.672 -4.758 -0.785
149 HB2 MET 21 1HB MET 21 14.790 -5.251 1.509
150 HB3 MET 21 2HB MET 21 16.494 -5.349 1.908
151 HG2 MET 21 1HG MET 21 16.514 -3.079 2.040
152 HG3 MET 21 2HG MET 21 16.309 -3.035 0.300
153 HE1 MET 21 3HE MET 21 15.305 -1.966 3.430
154 HE2 MET 21 1HE MET 21 14.933 -0.615 2.333
155 HE3 MET 21 2HE MET 21 13.638 -1.354 3.303
Start of MODEL 9
1 H1 ASP 1 H ASP 1 -15.129 7.512 5.159
2 HA ASP 1 HA ASP 1 -16.267 7.660 2.784
3 HB2 ASP 1 1HB ASP 1 -13.514 8.910 2.679
4 HB3 ASP 1 2HB ASP 1 -14.050 7.957 1.310
5 HD2 ASP 1 HD2 ASP 1 -14.939 11.436 0.721
6 H ALA 2 H ALA 2 -16.278 5.474 2.216
7 HA ALA 2 HA ALA 2 -14.342 3.738 3.429
8 HB1 ALA 2 3HB ALA 2 -15.914 2.134 3.060
9 HB2 ALA 2 1HB ALA 2 -16.987 3.524 2.768
10 HB3 ALA 2 2HB ALA 2 -16.230 2.681 1.395
11 H GLY 3 H GLY 3 -15.208 4.878 0.113
12 HA2 GLY 3 1HA GLY 3 -13.227 3.278 -1.182
13 HA3 GLY 3 2HA GLY 3 -14.161 4.591 -1.870
14 H HIS 4 H HIS 4 -12.895 5.848 0.963
15 HA HIS 4 HA HIS 4 -10.859 7.238 -0.526
16 HB2 HIS 4 1HB HIS 4 -12.233 8.623 0.802
17 HB3 HIS 4 2HB HIS 4 -12.107 7.571 2.198
18 HD1 HIS 4 HD1 HIS 4 -10.211 10.226 0.301
19 HD2 HIS 4 HD2 HIS 4 -9.812 7.940 3.794
20 HE1 HIS 4 HE1 HIS 4 -8.287 11.263 1.618
21 H GLY 5 H GLY 5 -11.032 4.304 1.066
22 HA2 GLY 5 1HA GLY 5 -8.497 4.452 2.464
23 HA3 GLY 5 2HA GLY 5 -9.555 3.066 2.301
24 H GLN 6 H GLN 6 -9.676 3.781 -0.772
25 HA GLN 6 HA GLN 6 -7.882 1.872 -1.574
26 HB2 GLN 6 1HB GLN 6 -8.279 2.823 -3.889
27 HB3 GLN 6 2HB GLN 6 -9.740 2.464 -2.990
28 HG2 GLN 6 1HG GLN 6 -10.341 4.599 -3.563
29 HG3 GLN 6 2HG GLN 6 -9.337 5.058 -2.202
30 HE21 GLN 6 2HE2 GLN 6 -8.654 6.982 -2.970
31 HE22 GLN 6 1HE2 GLN 6 -7.613 7.193 -4.337
32 H ILE 7 H ILE 7 -7.416 5.282 -0.841
33 HA ILE 7 HA ILE 7 -4.965 5.492 -2.318
34 HB ILE 7 HB ILE 7 -6.751 7.297 -1.630
35 HG12 ILE 7 1HG1 ILE 7 -4.051 8.446 -1.399
36 HG13 ILE 7 2HG1 ILE 7 -4.233 7.332 -2.740
37 HG21 ILE 7 1HG2 ILE 7 -6.218 8.572 0.311
38 HG22 ILE 7 2HG2 ILE 7 -6.390 6.874 0.817
39 HG23 ILE 7 3HG2 ILE 7 -4.770 7.589 0.637
40 HD11 ILE 7 3HD1 ILE 7 -5.533 9.983 -2.281
41 HD12 ILE 7 1HD1 ILE 7 -5.034 9.210 -3.803
42 HD13 ILE 7 2HD1 ILE 7 -6.557 8.728 -3.020
43 H SER 8 H SER 8 -6.000 4.200 0.732
44 HA SER 8 HA SER 8 -3.453 4.610 1.970
45 HB2 SER 8 1HB SER 8 -6.113 3.498 2.757
46 HB3 SER 8 2HB SER 8 -4.732 2.803 3.582
47 HG SER 8 HG SER 8 -5.213 4.551 4.838
48 H HIS 9 H HIS 9 -4.207 2.824 -0.592
49 HA HIS 9 HA HIS 9 -3.279 0.257 0.317
50 HB2 HIS 9 1HB HIS 9 -4.337 1.385 -2.252
51 HB3 HIS 9 2HB HIS 9 -3.409 -0.101 -2.299
52 HD1 HIS 9 HD1 HIS 9 -5.699 -1.239 -3.108
53 HD2 HIS 9 HD2 HIS 9 -5.663 0.188 0.836
54 HE1 HIS 9 HE1 HIS 9 -7.696 -2.316 -1.941
55 H LYS 10 H LYS 10 -1.905 3.244 -0.627
56 HA LYS 10 HA LYS 10 0.312 2.306 -2.087
57 HB2 LYS 10 1HB LYS 10 -0.156 4.848 -0.505
58 HB3 LYS 10 2HB LYS 10 1.259 4.561 -1.498
59 HG2 LYS 10 1HG LYS 10 0.067 4.682 -3.499
60 HG3 LYS 10 2HG LYS 10 -1.413 4.071 -2.785
61 HD2 LYS 10 1HD LYS 10 -2.155 6.214 -2.689
62 HD3 LYS 10 2HD LYS 10 -0.974 6.500 -1.427
63 HE2 LYS 10 1HE LYS 10 0.555 6.647 -3.781
64 HE3 LYS 10 2HE LYS 10 -0.961 7.399 -4.239
65 HZ1 LYS 10 2HZ LYS 10 1.060 8.484 -2.621
66 HZ3 LYS 10 1HZ LYS 10 -0.273 8.354 -1.694
67 H ARG 11 H ARG 11 -0.583 2.171 1.281
68 HA ARG 11 HA ARG 11 2.026 2.129 2.297
69 HB2 ARG 11 1HB ARG 11 0.959 1.336 4.381
70 HB3 ARG 11 2HB ARG 11 0.001 2.626 3.680
71 HG2 ARG 11 1HG ARG 11 -1.765 1.197 3.862
72 HG3 ARG 11 2HG ARG 11 -1.101 0.390 2.455
73 HD2 ARG 11 1HD ARG 11 -1.054 -1.461 3.809
74 HD3 ARG 11 2HD ARG 11 0.423 -0.759 4.439
75 HE ARG 11 HE ARG 11 -0.698 -0.503 6.460
76 HH11 ARG 11 2HH2 ARG 11 -3.085 -0.242 3.854
77 HH12 ARG 11 1HH2 ARG 11 -4.419 -0.002 4.932
78 HH22 ARG 11 1HH ARG 11 -4.027 0.027 7.297
79 H HIS 12 H HIS 12 0.091 -0.142 0.525
80 HA HIS 12 HA HIS 12 1.382 -2.462 1.637
81 HB2 HIS 12 1HB HIS 12 -0.666 -2.029 -0.542
82 HB3 HIS 12 2HB HIS 12 0.058 -3.597 -0.246
83 HD1 HIS 12 HD1 HIS 12 -2.218 -1.034 1.370
84 HD2 HIS 12 HD2 HIS 12 -0.904 -4.967 1.997
85 HE1 HIS 12 HE1 HIS 12 -3.685 -1.990 3.226
86 H LYS 13 H LYS 13 2.138 -0.018 -0.617
87 HA LYS 13 HA LYS 13 3.506 -1.652 -2.510
88 HB2 LYS 13 1HB LYS 13 3.606 1.333 -1.978
89 HB3 LYS 13 2HB LYS 13 4.358 0.530 -3.342
90 HG2 LYS 13 1HG LYS 13 1.421 0.042 -2.812
91 HG3 LYS 13 2HG LYS 13 1.902 1.559 -3.543
92 HD2 LYS 13 1HD LYS 13 3.110 0.303 -5.345
93 HD3 LYS 13 2HD LYS 13 2.616 -1.212 -4.617
94 HE2 LYS 13 1HE LYS 13 0.373 -0.956 -5.251
95 HE3 LYS 13 2HE LYS 13 0.456 0.795 -5.252
96 HZ1 LYS 13 2HZ LYS 13 0.473 0.277 -7.505
97 HZ3 LYS 13 1HZ LYS 13 1.386 -1.061 -7.340
98 H THR 14 H THR 14 4.179 -0.339 0.669
99 HA THR 14 HA THR 14 7.029 -0.396 0.383
100 HB THR 14 HB THR 14 6.888 0.028 2.869
101 HG1 THR 14 HG1 THR 14 4.560 0.187 3.590
102 HG21 THR 14 3HG2 THR 14 5.392 1.624 0.835
103 HG22 THR 14 1HG2 THR 14 4.899 1.914 2.520
104 HG23 THR 14 2HG2 THR 14 6.592 2.164 2.033
105 H ASP 15 H ASP 15 4.514 -2.745 1.040
106 HA ASP 15 HA ASP 15 6.196 -4.520 2.435
107 HB2 ASP 15 1HB ASP 15 3.513 -4.733 1.033
108 HB3 ASP 15 2HB ASP 15 4.305 -6.186 1.611
109 HD2 ASP 15 HD2 ASP 15 1.845 -5.063 3.760
110 H SER 16 H SER 16 5.463 -3.746 -0.950
111 HA SER 16 HA SER 16 6.392 -6.200 -1.995
112 HB2 SER 16 1HB SER 16 4.800 -4.381 -3.043
113 HB3 SER 16 2HB SER 16 6.285 -3.604 -3.556
114 HG SER 16 HG SER 16 5.005 -5.695 -4.708
115 H PHE 17 H PHE 17 7.858 -3.246 -0.828
116 HA PHE 17 HA PHE 17 10.220 -3.412 -2.404
117 HB2 PHE 17 1HB PHE 17 9.864 -1.257 -1.522
118 HB3 PHE 17 2HB PHE 17 9.040 -1.875 -0.104
119 HD1 PHE 17 HD2 PHE 17 10.364 -2.690 1.836
120 HD2 PHE 17 HD1 PHE 17 12.205 -0.788 -1.481
121 HE1 PHE 17 HE2 PHE 17 12.424 -2.282 3.212
122 HE2 PHE 17 HE1 PHE 17 14.263 -0.381 -0.106
123 HZ PHE 17 HZ PHE 17 14.349 -1.133 2.225
124 H VAL 18 H VAL 18 9.023 -4.985 0.495
125 HA VAL 18 HA VAL 18 11.531 -5.524 1.677
126 HB VAL 18 HB VAL 18 8.984 -7.124 1.931
127 HG11 VAL 18 1HG1 VAL 18 11.547 -6.974 3.383
128 HG12 VAL 18 2HG1 VAL 18 10.105 -6.914 4.424
129 HG13 VAL 18 3HG1 VAL 18 10.341 -8.281 3.308
130 HG21 VAL 18 3HG2 VAL 18 8.567 -5.509 3.904
131 HG22 VAL 18 1HG2 VAL 18 9.690 -4.416 3.061
132 HG23 VAL 18 2HG2 VAL 18 8.191 -4.944 2.259
133 H GLY 19 H GLY 19 9.626 -6.967 -0.948
134 HA2 GLY 19 1HA GLY 19 11.185 -9.407 -0.987
135 HA3 GLY 19 2HA GLY 19 9.914 -8.925 -2.093
136 H LEU 20 H LEU 20 11.842 -6.211 -1.837
137 HA LEU 20 HA LEU 20 13.170 -6.875 -4.332
138 HB2 LEU 20 1HB LEU 20 12.047 -4.525 -3.109
139 HB3 LEU 20 2HB LEU 20 13.719 -4.223 -3.540
140 HG LEU 20 HG LEU 20 12.859 -5.390 -5.833
141 HD11 LEU 20 1HD1 LEU 20 10.458 -4.770 -4.380
142 HD12 LEU 20 2HD1 LEU 20 10.557 -3.758 -5.840
143 HD13 LEU 20 3HD1 LEU 20 10.651 -5.530 -5.979
144 HD21 LEU 20 3HD2 LEU 20 12.285 -2.807 -6.397
145 HD22 LEU 20 1HD2 LEU 20 13.196 -2.611 -4.881
146 HD23 LEU 20 2HD2 LEU 20 13.935 -3.459 -6.260
147 H MET 21 H MET 21 13.800 -6.564 -0.899
148 HA MET 21 HA MET 21 16.545 -5.990 -1.172
149 HB2 MET 21 1HB MET 21 14.581 -6.648 0.974
150 HB3 MET 21 2HB MET 21 16.196 -7.232 1.320
151 HG2 MET 21 1HG MET 21 17.063 -4.879 0.776
152 HG3 MET 21 2HG MET 21 15.393 -4.353 0.687
153 HE1 MET 21 3HE MET 21 14.115 -6.041 3.817
154 HE2 MET 21 1HE MET 21 13.873 -4.280 3.738
155 HE3 MET 21 2HE MET 21 13.754 -5.262 2.258
Start of MODEL 10
1 H1 ASP 1 H ASP 1 -16.388 9.975 2.845
2 HA ASP 1 HA ASP 1 -17.871 8.035 1.857
3 HB2 ASP 1 1HB ASP 1 -16.453 9.040 -0.343
4 HB3 ASP 1 2HB ASP 1 -15.508 7.640 0.121
5 HD2 ASP 1 HD2 ASP 1 -17.048 7.713 -2.324
6 H ALA 2 H ALA 2 -16.926 5.852 2.379
7 HA ALA 2 HA ALA 2 -14.714 6.129 4.240
8 HB1 ALA 2 3HB ALA 2 -16.095 4.750 5.365
9 HB2 ALA 2 1HB ALA 2 -17.078 4.438 3.914
10 HB3 ALA 2 2HB ALA 2 -15.612 3.475 4.221
11 H GLY 3 H GLY 3 -15.154 5.525 0.943
12 HA2 GLY 3 1HA GLY 3 -13.329 3.366 0.569
13 HA3 GLY 3 2HA GLY 3 -13.949 4.466 -0.647
14 H HIS 4 H HIS 4 -12.792 6.438 1.809
15 HA HIS 4 HA HIS 4 -10.591 7.263 0.268
16 HB2 HIS 4 1HB HIS 4 -12.138 8.490 2.044
17 HB3 HIS 4 2HB HIS 4 -10.876 8.003 3.156
18 HD1 HIS 4 HD1 HIS 4 -10.783 9.522 -0.379
19 HD2 HIS 4 HD2 HIS 4 -9.149 10.082 3.443
20 HE1 HIS 4 HE1 HIS 4 -9.205 11.518 -0.562
21 H GLY 5 H GLY 5 -11.058 4.707 2.554
22 HA2 GLY 5 1HA GLY 5 -8.385 4.623 3.586
23 HA3 GLY 5 2HA GLY 5 -9.631 3.400 3.732
24 H GLN 6 H GLN 6 -9.924 3.709 0.583
25 HA GLN 6 HA GLN 6 -8.393 1.460 0.008
26 HB2 GLN 6 1HB GLN 6 -9.815 3.479 -1.774
27 HB3 GLN 6 2HB GLN 6 -9.039 2.042 -2.410
28 HG2 GLN 6 1HG GLN 6 -11.012 1.770 -0.127
29 HG3 GLN 6 2HG GLN 6 -11.615 1.994 -1.758
30 HE21 GLN 6 2HE2 GLN 6 -9.781 -0.050 0.400
31 HE22 GLN 6 1HE2 GLN 6 -9.809 -1.500 -0.547
32 H ILE 7 H ILE 7 -7.595 4.832 0.179
33 HA ILE 7 HA ILE 7 -5.566 4.877 -1.782
34 HB ILE 7 HB ILE 7 -6.883 6.761 -0.485
35 HG12 ILE 7 1HG1 ILE 7 -4.042 7.455 -1.115
36 HG13 ILE 7 2HG1 ILE 7 -5.020 6.757 -2.390
37 HG21 ILE 7 1HG2 ILE 7 -5.986 6.222 1.722
38 HG22 ILE 7 2HG2 ILE 7 -4.331 6.516 1.134
39 HG23 ILE 7 3HG2 ILE 7 -5.500 7.857 1.211
40 HD11 ILE 7 3HD1 ILE 7 -6.055 9.074 -0.717
41 HD12 ILE 7 1HD1 ILE 7 -5.037 9.340 -2.153
42 HD13 ILE 7 2HD1 ILE 7 -6.614 8.530 -2.316
43 H SER 8 H SER 8 -5.831 3.505 1.418
44 HA SER 8 HA SER 8 -3.129 3.643 2.097
45 HB2 SER 8 1HB SER 8 -5.419 1.842 2.957
46 HB3 SER 8 2HB SER 8 -3.806 1.628 3.607
47 HG SER 8 HG SER 8 -5.339 4.087 3.721
48 H HIS 9 H HIS 9 -4.902 1.767 -0.232
49 HA HIS 9 HA HIS 9 -3.303 -0.547 -0.202
50 HB2 HIS 9 1HB HIS 9 -5.504 -0.616 -1.142
51 HB3 HIS 9 2HB HIS 9 -5.140 0.675 -2.269
52 HD1 HIS 9 HD1 HIS 9 -4.713 -0.139 -4.583
53 HD2 HIS 9 HD2 HIS 9 -3.587 -2.967 -1.697
54 HE1 HIS 9 HE1 HIS 9 -3.879 -2.178 -5.869
55 H LYS 10 H LYS 10 -2.704 2.704 -1.166
56 HA LYS 10 HA LYS 10 -0.934 2.132 -3.316
57 HB2 LYS 10 1HB LYS 10 -0.634 4.421 -3.451
58 HB3 LYS 10 2HB LYS 10 -2.245 4.302 -2.775
59 HG2 LYS 10 1HG LYS 10 -1.195 4.509 -0.452
60 HG3 LYS 10 2HG LYS 10 0.338 4.834 -1.237
61 HD2 LYS 10 1HD LYS 10 -1.887 6.492 -2.285
62 HD3 LYS 10 2HD LYS 10 -1.581 6.748 -0.579
63 HE2 LYS 10 1HE LYS 10 0.996 6.658 -1.742
64 HE3 LYS 10 2HE LYS 10 0.034 7.559 -2.896
65 HZ1 LYS 10 2HZ LYS 10 0.865 9.092 -1.275
66 HZ3 LYS 10 1HZ LYS 10 0.358 8.192 -0.015
67 H ARG 11 H ARG 11 -0.775 1.825 0.125
68 HA ARG 11 HA ARG 11 2.015 2.293 0.289
69 HB2 ARG 11 1HB ARG 11 -0.142 1.283 2.158
70 HB3 ARG 11 2HB ARG 11 1.530 0.997 2.596
71 HG2 ARG 11 1HG ARG 11 2.003 3.268 2.878
72 HG3 ARG 11 2HG ARG 11 0.811 3.778 1.699
73 HD2 ARG 11 1HD ARG 11 -0.396 4.366 3.571
74 HD3 ARG 11 2HD ARG 11 -0.864 2.677 3.550
75 HE ARG 11 HE ARG 11 1.039 3.951 5.410
76 HH11 ARG 11 2HH2 ARG 11 -0.242 0.902 4.139
77 HH12 ARG 11 1HH2 ARG 11 0.287 -0.031 5.499
78 HH22 ARG 11 1HH ARG 11 1.449 1.059 7.290
79 H HIS 12 H HIS 12 0.329 -0.063 -1.271
80 HA HIS 12 HA HIS 12 1.421 -2.436 -0.259
81 HB2 HIS 12 1HB HIS 12 0.510 -3.476 -2.175
82 HB3 HIS 12 2HB HIS 12 -0.602 -2.199 -1.726
83 HD1 HIS 12 HD1 HIS 12 0.089 0.228 -3.134
84 HD2 HIS 12 HD2 HIS 12 0.923 -3.502 -4.862
85 HE1 HIS 12 HE1 HIS 12 0.338 0.641 -5.639
86 H LYS 13 H LYS 13 2.672 0.135 -2.322
87 HA LYS 13 HA LYS 13 4.643 -1.300 -3.667
88 HB2 LYS 13 1HB LYS 13 5.535 0.796 -4.252
89 HB3 LYS 13 2HB LYS 13 3.808 1.055 -4.107
90 HG2 LYS 13 1HG LYS 13 4.620 1.565 -1.518
91 HG3 LYS 13 2HG LYS 13 6.030 2.099 -2.413
92 HD2 LYS 13 1HD LYS 13 3.247 2.969 -3.266
93 HD3 LYS 13 2HD LYS 13 4.081 3.809 -1.975
94 HE2 LYS 13 1HE LYS 13 5.498 3.321 -4.614
95 HE3 LYS 13 2HE LYS 13 4.359 4.645 -4.470
96 HZ1 LYS 13 2HZ LYS 13 6.018 4.751 -2.226
97 HZ3 LYS 13 1HZ LYS 13 5.981 5.805 -3.467
98 H THR 14 H THR 14 4.303 -0.385 -0.305
99 HA THR 14 HA THR 14 7.104 -0.501 0.291
100 HB THR 14 HB THR 14 4.999 0.686 1.481
101 HG1 THR 14 HG1 THR 14 7.257 -0.733 2.708
102 HG21 THR 14 3HG2 THR 14 5.392 -1.848 3.142
103 HG22 THR 14 1HG2 THR 14 4.240 -0.523 3.435
104 HG23 THR 14 2HG2 THR 14 3.993 -1.630 2.063
105 H ASP 15 H ASP 15 4.510 -2.825 -0.125
106 HA ASP 15 HA ASP 15 5.703 -4.805 1.482
107 HB2 ASP 15 1HB ASP 15 3.592 -4.814 -0.707
108 HB3 ASP 15 2HB ASP 15 4.140 -6.316 0.012
109 HD2 ASP 15 HD2 ASP 15 1.438 -5.806 2.098
110 H SER 16 H SER 16 6.012 -3.621 -1.848
111 HA SER 16 HA SER 16 7.214 -5.969 -2.859
112 HB2 SER 16 1HB SER 16 6.650 -3.198 -3.828
113 HB3 SER 16 2HB SER 16 7.997 -4.010 -4.604
114 HG SER 16 HG SER 16 5.223 -4.638 -4.656
115 H PHE 17 H PHE 17 8.258 -3.232 -0.954
116 HA PHE 17 HA PHE 17 10.982 -3.284 -1.773
117 HB2 PHE 17 1HB PHE 17 10.373 -1.242 -0.768
118 HB3 PHE 17 2HB PHE 17 9.168 -2.000 0.253
119 HD1 PHE 17 HD1 PHE 17 12.878 -1.818 -0.125
120 HD2 PHE 17 HD2 PHE 17 9.576 -2.136 2.522
121 HE1 PHE 17 HE1 PHE 17 14.435 -1.652 1.837
122 HE2 PHE 17 HE2 PHE 17 11.133 -1.971 4.483
123 HZ PHE 17 HZ PHE 17 13.543 -1.731 4.118
124 H VAL 18 H VAL 18 8.984 -5.135 0.448
125 HA VAL 18 HA VAL 18 11.041 -5.911 2.219
126 HB VAL 18 HB VAL 18 8.513 -7.412 1.536
127 HG11 VAL 18 1HG1 VAL 18 9.904 -8.696 2.978
128 HG12 VAL 18 2HG1 VAL 18 10.293 -7.280 3.984
129 HG13 VAL 18 3HG1 VAL 18 8.650 -7.966 4.010
130 HG21 VAL 18 3HG2 VAL 18 8.194 -5.718 3.832
131 HG22 VAL 18 1HG2 VAL 18 8.716 -4.728 2.448
132 HG23 VAL 18 2HG2 VAL 18 7.260 -5.743 2.317
133 H GLY 19 H GLY 19 9.965 -6.965 -0.995
134 HA2 GLY 19 1HA GLY 19 11.469 -9.440 -0.880
135 HA3 GLY 19 2HA GLY 19 10.551 -8.800 -2.230
136 H LEU 20 H LEU 20 12.343 -6.200 -1.123
137 HA LEU 20 HA LEU 20 14.296 -6.606 -3.231
138 HB2 LEU 20 1HB LEU 20 12.859 -4.398 -2.136
139 HB3 LEU 20 2HB LEU 20 14.572 -4.091 -1.930
140 HG LEU 20 HG LEU 20 14.803 -4.683 -4.429
141 HD11 LEU 20 1HD1 LEU 20 13.019 -5.117 -5.689
142 HD12 LEU 20 2HD1 LEU 20 12.120 -5.334 -4.168
143 HD13 LEU 20 3HD1 LEU 20 12.097 -3.760 -4.999
144 HD21 LEU 20 3HD2 LEU 20 13.387 -2.233 -4.662
145 HD22 LEU 20 1HD2 LEU 20 14.155 -2.260 -3.056
146 HD23 LEU 20 2HD2 LEU 20 15.142 -2.496 -4.518
147 H MET 21 H MET 21 13.969 -6.747 0.254
148 HA MET 21 HA MET 21 16.664 -6.218 0.837
149 HB2 MET 21 1HB MET 21 14.231 -6.717 2.235
150 HB3 MET 21 2HB MET 21 15.292 -8.021 2.727
151 HG2 MET 21 1HG MET 21 16.894 -6.547 3.670
152 HG3 MET 21 2HG MET 21 16.353 -5.181 2.715
153 HE1 MET 21 3HE MET 21 15.948 -4.502 6.460
154 HE2 MET 21 1HE MET 21 15.960 -6.276 6.610
155 HE3 MET 21 2HE MET 21 17.112 -5.465 5.520
Start of MODEL 11
1 H1 ASP 1 H ASP 1 -17.729 5.294 2.822
2 HA ASP 1 HA ASP 1 -16.372 7.407 4.199
3 HB2 ASP 1 1HB ASP 1 -18.239 5.244 4.843
4 HB3 ASP 1 2HB ASP 1 -16.904 5.253 5.980
5 HD2 ASP 1 HD2 ASP 1 -19.940 6.734 5.595
6 H ALA 2 H ALA 2 -16.103 3.817 3.669
7 HA ALA 2 HA ALA 2 -13.457 3.819 4.864
8 HB1 ALA 2 3HB ALA 2 -13.652 1.405 4.715
9 HB2 ALA 2 1HB ALA 2 -15.181 2.054 5.357
10 HB3 ALA 2 2HB ALA 2 -15.076 1.542 3.655
11 H GLY 3 H GLY 3 -14.851 4.539 1.872
12 HA2 GLY 3 1HA GLY 3 -13.032 3.214 0.122
13 HA3 GLY 3 2HA GLY 3 -14.110 4.541 -0.261
14 H HIS 4 H HIS 4 -12.443 5.534 2.474
15 HA HIS 4 HA HIS 4 -10.789 7.257 0.892
16 HB2 HIS 4 1HB HIS 4 -12.105 7.463 3.322
17 HB3 HIS 4 2HB HIS 4 -10.426 7.324 3.803
18 HD1 HIS 4 HD1 HIS 4 -10.853 9.894 4.610
19 HD2 HIS 4 HD2 HIS 4 -10.732 9.214 0.473
20 HE1 HIS 4 HE1 HIS 4 -10.488 12.172 3.522
21 H GLY 5 H GLY 5 -10.515 4.132 2.301
22 HA2 GLY 5 1HA GLY 5 -7.697 4.273 2.908
23 HA3 GLY 5 2HA GLY 5 -8.734 2.861 2.936
24 H GLN 6 H GLN 6 -9.686 3.824 0.065
25 HA GLN 6 HA GLN 6 -8.086 2.043 -1.320
26 HB2 GLN 6 1HB GLN 6 -10.440 3.545 -1.793
27 HB3 GLN 6 2HB GLN 6 -9.335 4.029 -3.064
28 HG2 GLN 6 1HG GLN 6 -8.909 1.585 -3.567
29 HG3 GLN 6 2HG GLN 6 -10.109 1.158 -2.364
30 HE21 GLN 6 2HE2 GLN 6 -12.290 1.944 -2.633
31 HE22 GLN 6 1HE2 GLN 6 -12.949 2.179 -4.217
32 H ILE 7 H ILE 7 -7.563 5.349 -0.390
33 HA ILE 7 HA ILE 7 -5.773 5.945 -2.559
34 HB ILE 7 HB ILE 7 -6.525 7.374 -0.013
35 HG12 ILE 7 1HG1 ILE 7 -7.054 8.456 -2.740
36 HG13 ILE 7 2HG1 ILE 7 -8.019 7.085 -2.227
37 HG21 ILE 7 1HG2 ILE 7 -4.271 8.009 -0.420
38 HG22 ILE 7 2HG2 ILE 7 -4.561 8.181 -2.167
39 HG23 ILE 7 3HG2 ILE 7 -5.303 9.327 -1.025
40 HD11 ILE 7 3HD1 ILE 7 -9.312 8.810 -1.362
41 HD12 ILE 7 1HD1 ILE 7 -8.242 8.523 0.031
42 HD13 ILE 7 2HD1 ILE 7 -7.905 9.866 -1.087
43 H SER 8 H SER 8 -5.665 4.168 0.395
44 HA SER 8 HA SER 8 -2.892 4.704 0.850
45 HB2 SER 8 1HB SER 8 -5.099 3.502 2.304
46 HB3 SER 8 2HB SER 8 -3.740 2.397 2.310
47 HG SER 8 HG SER 8 -4.062 4.806 3.650
48 H HIS 9 H HIS 9 -4.299 3.220 -1.629
49 HA HIS 9 HA HIS 9 -3.156 0.628 -1.540
50 HB2 HIS 9 1HB HIS 9 -4.245 0.271 -3.501
51 HB3 HIS 9 2HB HIS 9 -5.178 1.632 -2.913
52 HD1 HIS 9 HD1 HIS 9 -4.168 0.577 -5.986
53 HD2 HIS 9 HD2 HIS 9 -3.356 4.138 -3.922
54 HE1 HIS 9 HE1 HIS 9 -3.537 2.303 -7.758
55 H LYS 10 H LYS 10 -1.969 3.830 -2.204
56 HA LYS 10 HA LYS 10 0.146 2.972 -3.937
57 HB2 LYS 10 1HB LYS 10 -1.104 5.323 -3.626
58 HB3 LYS 10 2HB LYS 10 0.229 5.598 -2.522
59 HG2 LYS 10 1HG LYS 10 1.692 5.878 -4.237
60 HG3 LYS 10 2HG LYS 10 1.224 4.354 -4.965
61 HD2 LYS 10 1HD LYS 10 -0.786 5.481 -5.979
62 HD3 LYS 10 2HD LYS 10 -0.261 7.005 -5.290
63 HE2 LYS 10 1HE LYS 10 1.890 6.833 -6.577
64 HE3 LYS 10 2HE LYS 10 1.339 5.326 -7.283
65 HZ1 LYS 10 2HZ LYS 10 0.819 7.105 -8.790
66 HZ3 LYS 10 1HZ LYS 10 0.071 7.987 -7.643
67 H ARG 11 H ARG 11 -0.489 3.018 -0.516
68 HA ARG 11 HA ARG 11 2.257 3.176 0.195
69 HB2 ARG 11 1HB ARG 11 -0.362 2.795 1.641
70 HB3 ARG 11 2HB ARG 11 1.090 2.264 2.468
71 HG2 ARG 11 1HG ARG 11 0.868 4.519 3.158
72 HG3 ARG 11 2HG ARG 11 2.074 4.604 1.889
73 HD2 ARG 11 1HD ARG 11 0.746 5.941 0.615
74 HD3 ARG 11 2HD ARG 11 -0.591 4.812 0.718
75 HE ARG 11 HE ARG 11 -0.432 6.117 3.231
76 HH11 ARG 11 2HH2 ARG 11 -1.110 6.981 -0.138
77 HH12 ARG 11 1HH2 ARG 11 -2.134 8.313 0.280
78 HH22 ARG 11 1HH ARG 11 -2.515 8.821 2.591
79 H HIS 12 H HIS 12 0.663 0.875 -1.468
80 HA HIS 12 HA HIS 12 1.418 -1.417 0.104
81 HB2 HIS 12 1HB HIS 12 0.076 -1.062 -2.582
82 HB3 HIS 12 2HB HIS 12 0.538 -2.636 -1.963
83 HD1 HIS 12 HD1 HIS 12 -0.845 0.028 0.343
84 HD2 HIS 12 HD2 HIS 12 -2.115 -3.473 -1.589
85 HE1 HIS 12 HE1 HIS 12 -3.115 -0.562 1.351
86 H LYS 13 H LYS 13 2.902 0.756 -2.096
87 HA LYS 13 HA LYS 13 4.549 -1.039 -3.499
88 HB2 LYS 13 1HB LYS 13 5.732 0.902 -4.219
89 HB3 LYS 13 2HB LYS 13 4.031 1.317 -4.154
90 HG2 LYS 13 1HG LYS 13 4.292 2.559 -2.113
91 HG3 LYS 13 2HG LYS 13 5.864 1.856 -1.787
92 HD2 LYS 13 1HD LYS 13 6.799 3.017 -3.802
93 HD3 LYS 13 2HD LYS 13 5.228 3.724 -4.121
94 HE2 LYS 13 1HE LYS 13 5.579 5.378 -2.601
95 HE3 LYS 13 2HE LYS 13 5.974 4.222 -1.345
96 HZ1 LYS 13 2HZ LYS 13 7.869 5.240 -3.396
97 HZ3 LYS 13 1HZ LYS 13 8.247 4.105 -2.292
98 H THR 14 H THR 14 4.535 0.170 -0.209
99 HA THR 14 HA THR 14 7.325 -0.292 0.255
100 HB THR 14 HB THR 14 6.548 0.102 2.654
101 HG1 THR 14 HG1 THR 14 4.270 0.385 2.879
102 HG21 THR 14 3HG2 THR 14 6.146 1.959 0.372
103 HG22 THR 14 1HG2 THR 14 5.114 2.330 1.774
104 HG23 THR 14 2HG2 THR 14 6.883 2.271 1.962
105 H ASP 15 H ASP 15 4.423 -2.257 0.158
106 HA ASP 15 HA ASP 15 5.425 -4.252 1.874
107 HB2 ASP 15 1HB ASP 15 3.194 -4.085 -0.177
108 HB3 ASP 15 2HB ASP 15 3.598 -5.632 0.539
109 HD2 ASP 15 HD2 ASP 15 1.422 -2.934 2.309
110 H SER 16 H SER 16 5.704 -3.388 -1.557
111 HA SER 16 HA SER 16 6.524 -5.952 -2.414
112 HB2 SER 16 1HB SER 16 6.029 -3.320 -3.587
113 HB3 SER 16 2HB SER 16 7.497 -4.016 -4.242
114 HG SER 16 HG SER 16 6.327 -5.889 -4.885
115 H PHE 17 H PHE 17 8.030 -3.235 -0.809
116 HA PHE 17 HA PHE 17 10.672 -3.732 -1.737
117 HB2 PHE 17 1HB PHE 17 9.162 -2.048 0.245
118 HB3 PHE 17 2HB PHE 17 10.822 -2.375 0.705
119 HD1 PHE 17 HD1 PHE 17 12.644 -1.832 -1.049
120 HD2 PHE 17 HD2 PHE 17 8.683 -0.320 -1.241
121 HE1 PHE 17 HE1 PHE 17 13.424 0.021 -2.553
122 HE2 PHE 17 HE2 PHE 17 9.464 1.533 -2.746
123 HZ PHE 17 HZ PHE 17 11.825 1.681 -3.383
124 H VAL 18 H VAL 18 8.568 -5.117 0.708
125 HA VAL 18 HA VAL 18 10.575 -6.003 2.476
126 HB VAL 18 HB VAL 18 7.895 -7.291 1.982
127 HG11 VAL 18 1HG1 VAL 18 8.338 -7.130 4.705
128 HG12 VAL 18 2HG1 VAL 18 8.632 -8.558 3.683
129 HG13 VAL 18 3HG1 VAL 18 9.966 -7.441 4.055
130 HG21 VAL 18 3HG2 VAL 18 7.234 -5.062 2.130
131 HG22 VAL 18 1HG2 VAL 18 7.153 -5.604 3.823
132 HG23 VAL 18 2HG2 VAL 18 8.542 -4.642 3.263
133 H GLY 19 H GLY 19 9.297 -7.161 -0.624
134 HA2 GLY 19 1HA GLY 19 10.505 -9.781 -0.347
135 HA3 GLY 19 2HA GLY 19 9.637 -9.137 -1.727
136 H LEU 20 H LEU 20 11.743 -6.691 -0.853
137 HA LEU 20 HA LEU 20 13.587 -7.484 -2.950
138 HB2 LEU 20 1HB LEU 20 12.557 -4.995 -1.833
139 HB3 LEU 20 2HB LEU 20 14.298 -4.965 -2.037
140 HG LEU 20 HG LEU 20 13.370 -6.041 -4.439
141 HD11 LEU 20 1HD1 LEU 20 11.744 -3.577 -4.201
142 HD12 LEU 20 2HD1 LEU 20 11.451 -5.073 -5.121
143 HD13 LEU 20 3HD1 LEU 20 11.110 -5.021 -3.375
144 HD21 LEU 20 3HD2 LEU 20 15.196 -4.609 -4.506
145 HD22 LEU 20 1HD2 LEU 20 13.906 -3.649 -5.271
146 HD23 LEU 20 2HD2 LEU 20 14.365 -3.335 -3.581
147 H MET 21 H MET 21 13.329 -7.306 0.541
148 HA MET 21 HA MET 21 16.097 -7.086 1.017
149 HB2 MET 21 1HB MET 21 14.280 -6.496 2.668
150 HB3 MET 21 2HB MET 21 13.816 -8.184 2.755
151 HG2 MET 21 1HG MET 21 15.228 -8.062 4.610
152 HG3 MET 21 2HG MET 21 16.383 -8.554 3.389
153 HE1 MET 21 3HE MET 21 18.252 -7.670 2.926
154 HE2 MET 21 1HE MET 21 18.904 -6.043 3.238
155 HE3 MET 21 2HE MET 21 18.740 -7.209 4.574
Start of MODEL 12
1 H1 ASP 1 H ASP 1 -16.298 7.293 -1.262
2 HA ASP 1 HA ASP 1 -15.963 9.929 -0.282
3 HB2 ASP 1 1HB ASP 1 -18.532 8.563 0.051
4 HB3 ASP 1 2HB ASP 1 -17.790 8.848 1.612
5 HD2 ASP 1 HD2 ASP 1 -18.377 10.554 -1.328
6 H ALA 2 H ALA 2 -16.707 6.462 0.532
7 HA ALA 2 HA ALA 2 -14.849 6.563 2.760
8 HB1 ALA 2 3HB ALA 2 -16.958 5.453 3.150
9 HB2 ALA 2 1HB ALA 2 -16.763 4.456 1.689
10 HB3 ALA 2 2HB ALA 2 -15.693 4.203 3.088
11 H GLY 3 H GLY 3 -14.717 6.147 -0.590
12 HA2 GLY 3 1HA GLY 3 -12.919 3.940 -0.764
13 HA3 GLY 3 2HA GLY 3 -13.283 5.124 -2.004
14 H HIS 4 H HIS 4 -12.520 6.920 0.726
15 HA HIS 4 HA HIS 4 -9.965 7.581 -0.355
16 HB2 HIS 4 1HB HIS 4 -11.374 9.343 0.460
17 HB3 HIS 4 2HB HIS 4 -11.544 8.576 2.025
18 HD1 HIS 4 HD1 HIS 4 -10.141 9.646 3.779
19 HD2 HIS 4 HD2 HIS 4 -8.368 9.902 -0.014
20 HE1 HIS 4 HE1 HIS 4 -7.963 10.938 4.094
21 H GLY 5 H GLY 5 -11.226 5.373 2.034
22 HA2 GLY 5 1HA GLY 5 -8.897 5.241 3.687
23 HA3 GLY 5 2HA GLY 5 -10.247 4.123 3.645
24 H GLN 6 H GLN 6 -9.748 4.038 0.512
25 HA GLN 6 HA GLN 6 -8.315 1.653 0.594
26 HB2 GLN 6 1HB GLN 6 -9.871 3.106 -1.287
27 HB3 GLN 6 2HB GLN 6 -8.311 2.882 -2.052
28 HG2 GLN 6 1HG GLN 6 -8.430 0.423 -1.531
29 HG3 GLN 6 2HG GLN 6 -10.012 0.664 -0.818
30 HE21 GLN 6 2HE2 GLN 6 -11.770 1.269 -2.106
31 HE22 GLN 6 1HE2 GLN 6 -11.800 1.012 -3.818
32 H ILE 7 H ILE 7 -7.301 4.961 0.606
33 HA ILE 7 HA ILE 7 -4.889 4.682 -0.826
34 HB ILE 7 HB ILE 7 -6.236 6.777 -0.163
35 HG12 ILE 7 1HG1 ILE 7 -3.294 7.163 0.249
36 HG13 ILE 7 2HG1 ILE 7 -3.841 6.458 -1.260
37 HG21 ILE 7 1HG2 ILE 7 -6.318 6.490 2.219
38 HG22 ILE 7 2HG2 ILE 7 -4.543 6.399 2.320
39 HG23 ILE 7 3HG2 ILE 7 -5.331 7.926 1.855
40 HD11 ILE 7 3HD1 ILE 7 -5.579 8.469 -1.245
41 HD12 ILE 7 1HD1 ILE 7 -4.397 9.205 -0.134
42 HD13 ILE 7 2HD1 ILE 7 -3.903 8.738 -1.780
43 H SER 8 H SER 8 -5.974 3.508 2.239
44 HA SER 8 HA SER 8 -3.418 3.548 3.465
45 HB2 SER 8 1HB SER 8 -6.133 2.419 4.115
46 HB3 SER 8 2HB SER 8 -4.752 1.753 4.964
47 HG SER 8 HG SER 8 -4.837 4.577 4.824
48 H HIS 9 H HIS 9 -5.091 1.541 1.153
49 HA HIS 9 HA HIS 9 -3.688 -0.858 1.790
50 HB2 HIS 9 1HB HIS 9 -5.906 -0.945 0.813
51 HB3 HIS 9 2HB HIS 9 -5.374 -0.037 -0.588
52 HD1 HIS 9 HD1 HIS 9 -5.769 -1.812 -2.369
53 HD2 HIS 9 HD2 HIS 9 -3.386 -3.171 0.804
54 HE1 HIS 9 HE1 HIS 9 -4.868 -4.092 -3.077
55 H LYS 10 H LYS 10 -2.878 2.101 0.266
56 HA LYS 10 HA LYS 10 -1.189 1.124 -1.768
57 HB2 LYS 10 1HB LYS 10 -0.731 3.322 -2.186
58 HB3 LYS 10 2HB LYS 10 -2.236 3.502 -1.305
59 HG2 LYS 10 1HG LYS 10 -0.974 3.906 0.804
60 HG3 LYS 10 2HG LYS 10 0.542 3.673 -0.043
61 HD2 LYS 10 1HD LYS 10 -0.527 5.590 -1.646
62 HD3 LYS 10 2HD LYS 10 -1.368 5.992 -0.162
63 HE2 LYS 10 1HE LYS 10 0.723 6.300 1.044
64 HE3 LYS 10 2HE LYS 10 1.657 5.607 -0.267
65 HZ1 LYS 10 2HZ LYS 10 1.501 7.531 -1.476
66 HZ3 LYS 10 1HZ LYS 10 1.315 8.219 -0.014
67 H ARG 11 H ARG 11 -0.980 1.133 1.685
68 HA ARG 11 HA ARG 11 1.762 1.438 1.947
69 HB2 ARG 11 1HB ARG 11 1.450 0.524 4.194
70 HB3 ARG 11 2HB ARG 11 0.068 1.534 3.821
71 HG2 ARG 11 1HG ARG 11 -1.115 -0.624 3.016
72 HG3 ARG 11 2HG ARG 11 0.206 -1.510 3.752
73 HD2 ARG 11 1HD ARG 11 -0.370 0.011 5.878
74 HD3 ARG 11 2HD ARG 11 -1.925 0.172 5.088
75 HE ARG 11 HE ARG 11 -0.811 -2.273 6.286
76 HH11 ARG 11 2HH2 ARG 11 -3.247 -0.953 4.077
77 HH12 ARG 11 1HH2 ARG 11 -4.281 -2.338 4.192
78 HH22 ARG 11 1HH ARG 11 -3.630 -4.176 5.585
79 H HIS 12 H HIS 12 -0.094 -1.034 0.468
80 HA HIS 12 HA HIS 12 1.461 -3.270 1.213
81 HB2 HIS 12 1HB HIS 12 -0.592 -2.685 -0.900
82 HB3 HIS 12 2HB HIS 12 0.342 -4.165 -0.990
83 HD1 HIS 12 HD1 HIS 12 -0.937 -2.607 2.250
84 HD2 HIS 12 HD2 HIS 12 -1.630 -5.938 -0.203
85 HE1 HIS 12 HE1 HIS 12 -2.550 -4.114 3.530
86 H LYS 13 H LYS 13 2.055 -0.533 -0.781
87 HA LYS 13 HA LYS 13 3.666 -1.808 -2.736
88 HB2 LYS 13 1HB LYS 13 2.920 0.951 -1.965
89 HB3 LYS 13 2HB LYS 13 4.498 0.792 -2.709
90 HG2 LYS 13 1HG LYS 13 3.275 0.922 -4.656
91 HG3 LYS 13 2HG LYS 13 3.095 -0.802 -4.402
92 HD2 LYS 13 1HD LYS 13 0.980 -0.163 -2.986
93 HD3 LYS 13 2HD LYS 13 1.107 1.405 -3.757
94 HE2 LYS 13 1HE LYS 13 1.357 -0.772 -5.719
95 HE3 LYS 13 2HE LYS 13 -0.141 -0.895 -4.820
96 HZ1 LYS 13 2HZ LYS 13 -0.242 0.577 -6.831
97 HZ3 LYS 13 1HZ LYS 13 0.748 1.636 -6.090
98 H THR 14 H THR 14 4.089 -0.865 0.611
99 HA THR 14 HA THR 14 6.945 -0.677 0.475
100 HB THR 14 HB THR 14 4.911 -0.908 2.754
101 HG1 THR 14 HG1 THR 14 5.116 1.003 1.179
102 HG21 THR 14 3HG2 THR 14 7.925 -0.414 2.730
103 HG22 THR 14 1HG2 THR 14 6.884 0.208 4.034
104 HG23 THR 14 2HG2 THR 14 7.011 -1.545 3.756
105 H ASP 15 H ASP 15 4.596 -3.268 0.701
106 HA ASP 15 HA ASP 15 6.350 -5.079 1.953
107 HB2 ASP 15 1HB ASP 15 3.754 -5.302 0.399
108 HB3 ASP 15 2HB ASP 15 4.632 -6.758 0.827
109 HD2 ASP 15 HD2 ASP 15 2.130 -6.112 1.698
110 H SER 16 H SER 16 5.708 -3.934 -1.343
111 HA SER 16 HA SER 16 6.869 -6.161 -2.635
112 HB2 SER 16 1HB SER 16 5.200 -4.277 -3.502
113 HB3 SER 16 2HB SER 16 6.678 -3.428 -3.909
114 HG SER 16 HG SER 16 6.250 -6.164 -4.720
115 H PHE 17 H PHE 17 8.049 -3.287 -1.031
116 HA PHE 17 HA PHE 17 10.481 -3.074 -2.489
117 HB2 PHE 17 1HB PHE 17 9.099 -1.951 -0.062
118 HB3 PHE 17 2HB PHE 17 10.848 -1.891 0.013
119 HD1 PHE 17 HD1 PHE 17 12.076 -0.766 -1.944
120 HD2 PHE 17 HD2 PHE 17 7.913 -0.325 -1.252
121 HE1 PHE 17 HE1 PHE 17 12.064 1.320 -3.340
122 HE2 PHE 17 HE2 PHE 17 7.901 1.761 -2.647
123 HZ PHE 17 HZ PHE 17 9.977 2.559 -3.675
124 H VAL 18 H VAL 18 9.291 -5.084 0.135
125 HA VAL 18 HA VAL 18 11.759 -5.592 1.385
126 HB VAL 18 HB VAL 18 9.346 -7.400 1.214
127 HG11 VAL 18 1HG1 VAL 18 10.753 -8.680 2.437
128 HG12 VAL 18 2HG1 VAL 18 11.805 -7.308 2.860
129 HG13 VAL 18 3HG1 VAL 18 10.294 -7.583 3.760
130 HG21 VAL 18 3HG2 VAL 18 9.396 -4.727 2.125
131 HG22 VAL 18 1HG2 VAL 18 8.112 -5.937 2.359
132 HG23 VAL 18 2HG2 VAL 18 9.391 -5.749 3.583
133 H GLY 19 H GLY 19 10.170 -6.799 -1.551
134 HA2 GLY 19 1HA GLY 19 11.961 -9.059 -1.814
135 HA3 GLY 19 2HA GLY 19 10.718 -8.534 -2.934
136 H LEU 20 H LEU 20 12.353 -5.727 -2.157
137 HA LEU 20 HA LEU 20 13.886 -5.897 -4.615
138 HB2 LEU 20 1HB LEU 20 12.397 -3.895 -3.262
139 HB3 LEU 20 2HB LEU 20 14.065 -3.359 -3.306
140 HG LEU 20 HG LEU 20 12.748 -2.527 -5.208
141 HD11 LEU 20 1HD1 LEU 20 14.425 -4.051 -6.893
142 HD12 LEU 20 2HD1 LEU 20 14.725 -2.436 -6.208
143 HD13 LEU 20 3HD1 LEU 20 15.274 -3.889 -5.337
144 HD21 LEU 20 3HD2 LEU 20 11.445 -3.779 -6.525
145 HD22 LEU 20 1HD2 LEU 20 12.656 -5.077 -6.659
146 HD23 LEU 20 2HD2 LEU 20 11.576 -5.009 -5.246
147 H MET 21 H MET 21 14.275 -6.040 -1.136
148 HA MET 21 HA MET 21 16.969 -5.202 -1.134
149 HB2 MET 21 1HB MET 21 14.985 -5.648 0.766
150 HB3 MET 21 2HB MET 21 16.006 -7.050 1.018
151 HG2 MET 21 1HG MET 21 17.400 -4.397 0.762
152 HG3 MET 21 2HG MET 21 16.474 -4.659 2.226
153 HE1 MET 21 3HE MET 21 16.836 -6.401 3.924
154 HE2 MET 21 1HE MET 21 16.719 -7.794 2.823
155 HE3 MET 21 2HE MET 21 18.106 -7.649 3.930
Start of MODEL 13
1 H1 ASP 1 H ASP 1 -17.480 7.259 0.837
2 HA ASP 1 HA ASP 1 -16.212 8.882 2.793
3 HB2 ASP 1 1HB ASP 1 -18.531 7.104 2.593
4 HB3 ASP 1 2HB ASP 1 -17.637 6.769 4.062
5 HD2 ASP 1 HD2 ASP 1 -20.351 9.058 4.178
6 H ALA 2 H ALA 2 -16.413 5.351 1.940
7 HA ALA 2 HA ALA 2 -14.313 4.747 3.853
8 HB1 ALA 2 3HB ALA 2 -16.577 3.418 3.066
9 HB2 ALA 2 1HB ALA 2 -15.346 2.638 2.043
10 HB3 ALA 2 2HB ALA 2 -15.162 2.638 3.814
11 H GLY 3 H GLY 3 -14.557 5.915 0.692
12 HA2 GLY 3 1HA GLY 3 -12.539 4.362 -0.590
13 HA3 GLY 3 2HA GLY 3 -13.198 5.899 -1.111
14 H HIS 4 H HIS 4 -12.323 6.367 2.093
15 HA HIS 4 HA HIS 4 -9.999 7.832 1.295
16 HB2 HIS 4 1HB HIS 4 -11.938 8.108 3.252
17 HB3 HIS 4 2HB HIS 4 -10.535 7.596 4.170
18 HD1 HIS 4 HD1 HIS 4 -10.106 9.884 5.264
19 HD2 HIS 4 HD2 HIS 4 -10.126 10.008 1.072
20 HE1 HIS 4 HE1 HIS 4 -9.222 12.187 4.614
21 H GLY 5 H GLY 5 -10.702 4.621 2.346
22 HA2 GLY 5 1HA GLY 5 -8.156 4.182 3.661
23 HA3 GLY 5 2HA GLY 5 -9.424 3.012 3.353
24 H GLN 6 H GLN 6 -9.452 4.181 0.408
25 HA GLN 6 HA GLN 6 -7.955 2.135 -0.682
26 HB2 GLN 6 1HB GLN 6 -9.585 4.373 -1.623
27 HB3 GLN 6 2HB GLN 6 -8.204 4.132 -2.674
28 HG2 GLN 6 1HG GLN 6 -9.533 2.539 -3.652
29 HG3 GLN 6 2HG GLN 6 -8.969 1.528 -2.336
30 HE21 GLN 6 2HE2 GLN 6 -10.238 1.402 -0.392
31 HE22 GLN 6 1HE2 GLN 6 -11.961 1.571 -0.450
32 H ILE 7 H ILE 7 -7.046 5.318 0.467
33 HA ILE 7 HA ILE 7 -4.754 5.658 -1.145
34 HB ILE 7 HB ILE 7 -4.357 7.537 0.094
35 HG12 ILE 7 1HG1 ILE 7 -5.711 6.278 2.499
36 HG13 ILE 7 2HG1 ILE 7 -3.979 6.348 2.237
37 HG21 ILE 7 1HG2 ILE 7 -7.259 7.220 0.834
38 HG22 ILE 7 2HG2 ILE 7 -6.385 8.668 0.278
39 HG23 ILE 7 3HG2 ILE 7 -6.744 7.351 -0.864
40 HD11 ILE 7 3HD1 ILE 7 -5.764 8.823 2.309
41 HD12 ILE 7 1HD1 ILE 7 -4.879 8.194 3.720
42 HD13 ILE 7 2HD1 ILE 7 -3.984 8.782 2.300
43 H SER 8 H SER 8 -5.536 3.620 1.582
44 HA SER 8 HA SER 8 -2.802 3.338 2.362
45 HB2 SER 8 1HB SER 8 -5.008 3.120 3.810
46 HB3 SER 8 2HB SER 8 -5.027 1.472 3.216
47 HG SER 8 HG SER 8 -2.667 2.610 4.425
48 H HIS 9 H HIS 9 -4.905 2.066 -0.059
49 HA HIS 9 HA HIS 9 -3.822 -0.555 -0.156
50 HB2 HIS 9 1HB HIS 9 -6.093 0.157 -0.976
51 HB3 HIS 9 2HB HIS 9 -5.305 0.967 -2.316
52 HD1 HIS 9 HD1 HIS 9 -6.029 -2.485 -0.948
53 HD2 HIS 9 HD2 HIS 9 -4.393 -0.709 -4.377
54 HE1 HIS 9 HE1 HIS 9 -5.806 -4.346 -2.679
55 H LYS 10 H LYS 10 -2.796 2.611 -1.206
56 HA LYS 10 HA LYS 10 -1.176 1.713 -3.366
57 HB2 LYS 10 1HB LYS 10 -0.603 3.934 -3.635
58 HB3 LYS 10 2HB LYS 10 -2.189 4.059 -2.902
59 HG2 LYS 10 1HG LYS 10 -0.888 4.121 -0.616
60 HG3 LYS 10 2HG LYS 10 0.522 4.476 -1.594
61 HD2 LYS 10 1HD LYS 10 -2.046 6.076 -1.912
62 HD3 LYS 10 2HD LYS 10 -0.880 6.481 -0.668
63 HE2 LYS 10 1HE LYS 10 -0.078 7.821 -2.394
64 HE3 LYS 10 2HE LYS 10 0.861 6.373 -2.696
65 HZ1 LYS 10 2HZ LYS 10 -0.325 7.283 -4.691
66 HZ3 LYS 10 1HZ LYS 10 -1.750 6.882 -4.014
67 H ARG 11 H ARG 11 -0.974 1.494 0.064
68 HA ARG 11 HA ARG 11 1.821 1.717 0.250
69 HB2 ARG 11 1HB ARG 11 -0.221 0.384 2.099
70 HB3 ARG 11 2HB ARG 11 1.454 0.665 2.531
71 HG2 ARG 11 1HG ARG 11 -0.179 3.006 1.541
72 HG3 ARG 11 2HG ARG 11 -0.461 2.428 3.171
73 HD2 ARG 11 1HD ARG 11 1.818 2.851 3.836
74 HD3 ARG 11 2HD ARG 11 2.356 3.019 2.176
75 HE ARG 11 HE ARG 11 0.999 5.062 3.793
76 HH11 ARG 11 2HH2 ARG 11 1.846 4.042 0.508
77 HH12 ARG 11 1HH2 ARG 11 1.693 5.634 -0.159
78 HH22 ARG 11 1HH ARG 11 1.076 7.452 1.275
79 H HIS 12 H HIS 12 -0.099 -0.534 -1.310
80 HA HIS 12 HA HIS 12 0.993 -2.962 -0.442
81 HB2 HIS 12 1HB HIS 12 -0.101 -3.928 -2.300
82 HB3 HIS 12 2HB HIS 12 -1.132 -2.631 -1.733
83 HD1 HIS 12 HD1 HIS 12 -0.510 -0.194 -3.136
84 HD2 HIS 12 HD2 HIS 12 0.118 -3.894 -5.011
85 HE1 HIS 12 HE1 HIS 12 -0.447 0.277 -5.643
86 H LYS 13 H LYS 13 2.156 -0.382 -2.543
87 HA LYS 13 HA LYS 13 4.068 -1.985 -3.909
88 HB2 LYS 13 1HB LYS 13 3.967 1.026 -3.567
89 HB3 LYS 13 2HB LYS 13 4.896 0.140 -4.760
90 HG2 LYS 13 1HG LYS 13 1.852 0.014 -4.532
91 HG3 LYS 13 2HG LYS 13 2.707 1.071 -5.637
92 HD2 LYS 13 1HD LYS 13 2.958 -1.974 -5.604
93 HD3 LYS 13 2HD LYS 13 1.948 -1.070 -6.717
94 HE2 LYS 13 1HE LYS 13 4.328 0.229 -7.105
95 HE3 LYS 13 2HE LYS 13 4.930 -1.356 -6.660
96 HZ1 LYS 13 2HZ LYS 13 3.582 -0.570 -9.069
97 HZ3 LYS 13 1HZ LYS 13 2.928 -1.916 -8.425
98 H THR 14 H THR 14 3.844 -0.474 -0.758
99 HA THR 14 HA THR 14 6.673 -0.302 -0.341
100 HB THR 14 HB THR 14 4.236 -0.166 1.512
101 HG1 THR 14 HG1 THR 14 4.748 1.427 -0.342
102 HG21 THR 14 3HG2 THR 14 7.055 -0.299 2.152
103 HG22 THR 14 1HG2 THR 14 6.509 1.378 2.393
104 HG23 THR 14 2HG2 THR 14 5.699 0.046 3.252
105 H ASP 15 H ASP 15 4.248 -2.824 -0.163
106 HA ASP 15 HA ASP 15 5.654 -4.385 1.710
107 HB2 ASP 15 1HB ASP 15 3.426 -4.890 -0.286
108 HB3 ASP 15 2HB ASP 15 4.149 -6.241 0.565
109 HD2 ASP 15 HD2 ASP 15 1.900 -3.445 1.461
110 H SER 16 H SER 16 5.730 -3.828 -1.792
111 HA SER 16 HA SER 16 7.059 -6.239 -2.422
112 HB2 SER 16 1HB SER 16 5.747 -4.260 -3.858
113 HB3 SER 16 2HB SER 16 7.420 -3.950 -4.272
114 HG SER 16 HG SER 16 6.414 -5.485 -5.728
115 H PHE 17 H PHE 17 7.978 -3.128 -1.118
116 HA PHE 17 HA PHE 17 10.661 -3.159 -2.062
117 HB2 PHE 17 1HB PHE 17 8.817 -1.432 -0.743
118 HB3 PHE 17 2HB PHE 17 10.044 -1.729 0.472
119 HD1 PHE 17 HD2 PHE 17 12.548 -1.536 -0.508
120 HD2 PHE 17 HD1 PHE 17 9.124 0.392 -2.110
121 HE1 PHE 17 HE2 PHE 17 14.021 0.194 -1.573
122 HE2 PHE 17 HE1 PHE 17 10.598 2.122 -3.176
123 HZ PHE 17 HZ PHE 17 13.028 2.002 -2.895
124 H VAL 18 H VAL 18 8.902 -4.689 0.565
125 HA VAL 18 HA VAL 18 11.162 -5.013 2.270
126 HB VAL 18 HB VAL 18 8.616 -6.630 2.247
127 HG11 VAL 18 1HG1 VAL 18 10.301 -5.707 4.591
128 HG12 VAL 18 2HG1 VAL 18 9.002 -6.923 4.583
129 HG13 VAL 18 3HG1 VAL 18 10.544 -7.264 3.763
130 HG21 VAL 18 3HG2 VAL 18 7.443 -4.748 2.526
131 HG22 VAL 18 1HG2 VAL 18 8.285 -4.540 4.081
132 HG23 VAL 18 2HG2 VAL 18 8.923 -3.762 2.612
133 H GLY 19 H GLY 19 9.735 -6.721 -0.494
134 HA2 GLY 19 1HA GLY 19 11.273 -9.133 -0.022
135 HA3 GLY 19 2HA GLY 19 10.198 -8.787 -1.361
136 H LEU 20 H LEU 20 12.068 -6.032 -1.062
137 HA LEU 20 HA LEU 20 13.773 -6.911 -3.239
138 HB2 LEU 20 1HB LEU 20 12.806 -4.301 -2.174
139 HB3 LEU 20 2HB LEU 20 14.331 -4.324 -3.038
140 HG LEU 20 HG LEU 20 11.999 -5.669 -4.332
141 HD11 LEU 20 1HD1 LEU 20 11.996 -2.855 -3.526
142 HD12 LEU 20 2HD1 LEU 20 11.776 -3.091 -5.277
143 HD13 LEU 20 3HD1 LEU 20 10.674 -3.884 -4.125
144 HD21 LEU 20 3HD2 LEU 20 14.164 -3.876 -5.461
145 HD22 LEU 20 1HD2 LEU 20 14.287 -5.646 -5.320
146 HD23 LEU 20 2HD2 LEU 20 13.039 -4.922 -6.362
147 H MET 21 H MET 21 13.849 -6.276 0.205
148 HA MET 21 HA MET 21 16.585 -5.665 0.346
149 HB2 MET 21 1HB MET 21 14.298 -6.055 2.128
150 HB3 MET 21 2HB MET 21 15.683 -6.904 2.785
151 HG2 MET 21 1HG MET 21 15.944 -4.743 3.699
152 HG3 MET 21 2HG MET 21 17.007 -4.685 2.308
153 HE1 MET 21 3HE MET 21 16.733 -2.758 0.423
154 HE2 MET 21 1HE MET 21 15.977 -1.354 1.216
155 HE3 MET 21 2HE MET 21 17.149 -2.353 2.106
Start of MODEL 14
1 H1 ASP 1 H ASP 1 -14.956 10.469 -2.285
2 HA ASP 1 HA ASP 1 -13.980 11.244 -0.246
3 HB2 ASP 1 1HB ASP 1 -16.814 10.636 -0.631
4 HB3 ASP 1 2HB ASP 1 -16.422 10.603 1.077
5 HD2 ASP 1 HD2 ASP 1 -14.445 13.213 0.032
6 H ALA 2 H ALA 2 -15.756 8.080 -0.000
7 HA ALA 2 HA ALA 2 -14.514 7.557 2.572
8 HB1 ALA 2 3HB ALA 2 -16.731 6.891 2.644
9 HB2 ALA 2 1HB ALA 2 -16.754 6.409 0.930
10 HB3 ALA 2 2HB ALA 2 -15.962 5.367 2.138
11 H GLY 3 H GLY 3 -13.706 7.287 -0.697
12 HA2 GLY 3 1HA GLY 3 -12.545 4.683 -0.728
13 HA3 GLY 3 2HA GLY 3 -12.290 5.982 -1.877
14 H HIS 4 H HIS 4 -11.759 7.359 1.136
15 HA HIS 4 HA HIS 4 -8.991 7.535 0.704
16 HB2 HIS 4 1HB HIS 4 -8.982 9.034 2.443
17 HB3 HIS 4 2HB HIS 4 -10.646 9.142 1.904
18 HD1 HIS 4 HD1 HIS 4 -8.532 7.722 4.715
19 HD2 HIS 4 HD2 HIS 4 -12.571 8.341 3.766
20 HE1 HIS 4 HE1 HIS 4 -9.847 7.260 6.853
21 H GLY 5 H GLY 5 -11.047 5.203 2.312
22 HA2 GLY 5 1HA GLY 5 -9.094 4.191 4.135
23 HA3 GLY 5 2HA GLY 5 -10.609 3.446 3.664
24 H GLN 6 H GLN 6 -9.617 3.927 0.686
25 HA GLN 6 HA GLN 6 -8.576 1.313 0.440
26 HB2 GLN 6 1HB GLN 6 -8.885 3.534 -1.629
27 HB3 GLN 6 2HB GLN 6 -8.512 1.863 -2.003
28 HG2 GLN 6 1HG GLN 6 -11.065 2.951 -0.742
29 HG3 GLN 6 2HG GLN 6 -10.901 2.150 -2.293
30 HE21 GLN 6 2HE2 GLN 6 -9.596 -0.044 -2.008
31 HE22 GLN 6 1HE2 GLN 6 -10.259 -1.126 -0.830
32 H ILE 7 H ILE 7 -7.212 4.461 0.976
33 HA ILE 7 HA ILE 7 -4.770 4.125 -0.376
34 HB ILE 7 HB ILE 7 -5.524 5.825 2.004
35 HG12 ILE 7 1HG1 ILE 7 -6.889 6.278 0.027
36 HG13 ILE 7 2HG1 ILE 7 -5.814 7.616 0.380
37 HG21 ILE 7 1HG2 ILE 7 -3.369 6.319 2.196
38 HG22 ILE 7 2HG2 ILE 7 -2.957 5.335 0.772
39 HG23 ILE 7 3HG2 ILE 7 -3.440 7.036 0.568
40 HD11 ILE 7 3HD1 ILE 7 -5.757 5.683 -1.915
41 HD12 ILE 7 1HD1 ILE 7 -5.398 7.427 -1.887
42 HD13 ILE 7 2HD1 ILE 7 -4.189 6.261 -1.302
43 H SER 8 H SER 8 -6.137 2.518 2.331
44 HA SER 8 HA SER 8 -3.616 2.054 3.603
45 HB2 SER 8 1HB SER 8 -6.374 1.868 4.330
46 HB3 SER 8 2HB SER 8 -5.716 0.250 4.479
47 HG SER 8 HG SER 8 -4.873 0.901 6.328
48 H HIS 9 H HIS 9 -5.630 0.644 1.103
49 HA HIS 9 HA HIS 9 -4.470 -1.972 1.370
50 HB2 HIS 9 1HB HIS 9 -6.150 -2.661 0.052
51 HB3 HIS 9 2HB HIS 9 -6.858 -1.109 0.452
52 HD1 HIS 9 HD1 HIS 9 -7.040 0.659 -1.423
53 HD2 HIS 9 HD2 HIS 9 -5.072 -2.854 -2.597
54 HE1 HIS 9 HE1 HIS 9 -6.827 0.774 -3.963
55 H LYS 10 H LYS 10 -3.623 1.063 -0.026
56 HA LYS 10 HA LYS 10 -2.122 -0.063 -2.206
57 HB2 LYS 10 1HB LYS 10 -2.496 2.729 -1.112
58 HB3 LYS 10 2HB LYS 10 -1.341 2.375 -2.380
59 HG2 LYS 10 1HG LYS 10 -3.158 1.402 -3.785
60 HG3 LYS 10 2HG LYS 10 -4.320 1.711 -2.509
61 HD2 LYS 10 1HD LYS 10 -3.894 4.153 -2.676
62 HD3 LYS 10 2HD LYS 10 -2.667 3.874 -3.896
63 HE2 LYS 10 1HE LYS 10 -4.249 3.214 -5.534
64 HE3 LYS 10 2HE LYS 10 -5.463 2.795 -4.342
65 HZ1 LYS 10 2HZ LYS 10 -4.608 5.536 -5.085
66 HZ3 LYS 10 1HZ LYS 10 -5.565 5.235 -3.801
67 H ARG 11 H ARG 11 -1.739 0.198 1.170
68 HA ARG 11 HA ARG 11 0.948 0.873 1.296
69 HB2 ARG 11 1HB ARG 11 0.829 0.158 3.592
70 HB3 ARG 11 2HB ARG 11 -0.768 0.772 3.212
71 HG2 ARG 11 1HG ARG 11 -1.474 -1.623 2.672
72 HG3 ARG 11 2HG ARG 11 0.084 -2.158 3.271
73 HD2 ARG 11 1HD ARG 11 -0.761 -0.530 5.350
74 HD3 ARG 11 2HD ARG 11 -2.287 -1.179 4.783
75 HE ARG 11 HE ARG 11 -0.265 -2.630 6.229
76 HH11 ARG 11 2HH2 ARG 11 -2.607 -3.061 3.604
77 HH12 ARG 11 1HH2 ARG 11 -2.764 -4.767 3.858
78 HH22 ARG 11 1HH ARG 11 -1.500 -5.816 5.603
79 H HIS 12 H HIS 12 -0.597 -1.853 -0.048
80 HA HIS 12 HA HIS 12 1.159 -3.890 0.754
81 HB2 HIS 12 1HB HIS 12 0.227 -5.059 -1.286
82 HB3 HIS 12 2HB HIS 12 -0.934 -4.551 -0.075
83 HD1 HIS 12 HD1 HIS 12 -2.681 -4.729 -2.135
84 HD2 HIS 12 HD2 HIS 12 0.133 -1.626 -2.350
85 HE1 HIS 12 HE1 HIS 12 -3.558 -3.088 -3.881
86 H LYS 13 H LYS 13 1.613 -1.111 -1.191
87 HA LYS 13 HA LYS 13 3.450 -2.264 -3.045
88 HB2 LYS 13 1HB LYS 13 2.320 0.404 -2.452
89 HB3 LYS 13 2HB LYS 13 3.952 0.421 -3.087
90 HG2 LYS 13 1HG LYS 13 3.321 -0.712 -5.092
91 HG3 LYS 13 2HG LYS 13 1.824 -1.302 -4.398
92 HD2 LYS 13 1HD LYS 13 1.447 1.414 -4.146
93 HD3 LYS 13 2HD LYS 13 2.442 1.367 -5.588
94 HE2 LYS 13 1HE LYS 13 0.829 -0.423 -6.504
95 HE3 LYS 13 2HE LYS 13 -0.218 -0.060 -5.146
96 HZ1 LYS 13 2HZ LYS 13 -0.598 2.096 -5.946
97 HZ3 LYS 13 1HZ LYS 13 -0.564 1.237 -7.330
98 H THR 14 H THR 14 3.542 -1.173 0.277
99 HA THR 14 HA THR 14 6.352 -0.613 0.302
100 HB THR 14 HB THR 14 4.159 -0.971 2.399
101 HG1 THR 14 HG1 THR 14 4.043 1.097 1.572
102 HG21 THR 14 3HG2 THR 14 7.017 -1.147 2.812
103 HG22 THR 14 1HG2 THR 14 6.471 0.447 3.388
104 HG23 THR 14 2HG2 THR 14 5.739 -1.037 4.046
105 H ASP 15 H ASP 15 4.346 -3.483 0.502
106 HA ASP 15 HA ASP 15 6.251 -5.009 1.905
107 HB2 ASP 15 1HB ASP 15 3.801 -5.631 0.225
108 HB3 ASP 15 2HB ASP 15 4.830 -6.937 0.778
109 HD2 ASP 15 HD2 ASP 15 3.217 -4.394 3.267
110 H SER 16 H SER 16 5.642 -4.061 -1.460
111 HA SER 16 HA SER 16 7.149 -6.156 -2.608
112 HB2 SER 16 1HB SER 16 5.306 -4.754 -3.723
113 HB3 SER 16 2HB SER 16 6.482 -3.462 -3.860
114 HG SER 16 HG SER 16 7.147 -6.079 -4.833
115 H PHE 17 H PHE 17 7.860 -3.104 -1.058
116 HA PHE 17 HA PHE 17 10.318 -2.619 -2.404
117 HB2 PHE 17 1HB PHE 17 8.518 -1.350 -0.596
118 HB3 PHE 17 2HB PHE 17 9.965 -1.589 0.364
119 HD1 PHE 17 HD2 PHE 17 9.400 -0.642 -3.211
120 HD2 PHE 17 HD1 PHE 17 11.157 0.370 0.518
121 HE1 PHE 17 HE2 PHE 17 10.427 1.399 -4.248
122 HE2 PHE 17 HE1 PHE 17 12.183 2.412 -0.521
123 HZ PHE 17 HZ PHE 17 11.807 2.902 -2.891
124 H VAL 18 H VAL 18 9.260 -4.683 0.234
125 HA VAL 18 HA VAL 18 11.728 -4.827 1.594
126 HB VAL 18 HB VAL 18 9.562 -6.923 1.472
127 HG11 VAL 18 1HG1 VAL 18 10.270 -7.485 3.710
128 HG12 VAL 18 2HG1 VAL 18 11.696 -7.484 2.645
129 HG13 VAL 18 3HG1 VAL 18 11.405 -6.114 3.744
130 HG21 VAL 18 3HG2 VAL 18 8.759 -5.582 3.588
131 HG22 VAL 18 1HG2 VAL 18 9.573 -4.220 2.781
132 HG23 VAL 18 2HG2 VAL 18 8.252 -5.082 1.956
133 H GLY 19 H GLY 19 10.374 -6.351 -1.310
134 HA2 GLY 19 1HA GLY 19 12.417 -8.403 -1.405
135 HA3 GLY 19 2HA GLY 19 11.149 -8.091 -2.574
136 H LEU 20 H LEU 20 12.439 -5.077 -1.921
137 HA LEU 20 HA LEU 20 14.032 -5.195 -4.345
138 HB2 LEU 20 1HB LEU 20 12.263 -3.341 -3.202
139 HB3 LEU 20 2HB LEU 20 13.846 -2.601 -3.086
140 HG LEU 20 HG LEU 20 12.746 -1.911 -5.125
141 HD11 LEU 20 1HD1 LEU 20 15.164 -2.105 -5.200
142 HD12 LEU 20 2HD1 LEU 20 15.038 -3.816 -5.677
143 HD13 LEU 20 3HD1 LEU 20 14.460 -2.540 -6.776
144 HD21 LEU 20 3HD2 LEU 20 11.416 -4.156 -5.224
145 HD22 LEU 20 1HD2 LEU 20 11.815 -3.287 -6.725
146 HD23 LEU 20 2HD2 LEU 20 12.779 -4.700 -6.231
147 H MET 21 H MET 21 14.363 -5.121 -0.857
148 HA MET 21 HA MET 21 16.938 -3.974 -0.844
149 HB2 MET 21 1HB MET 21 15.241 -4.138 1.096
150 HB3 MET 21 2HB MET 21 15.649 -5.838 1.223
151 HG2 MET 21 1HG MET 21 18.083 -4.207 1.161
152 HG3 MET 21 2HG MET 21 17.011 -3.660 2.435
153 HE1 MET 21 3HE MET 21 16.109 -4.727 4.086
154 HE2 MET 21 1HE MET 21 16.154 -6.457 4.501
155 HE3 MET 21 2HE MET 21 17.431 -5.367 5.092
Start of MODEL 15
1 H1 ASP 1 H ASP 1 -15.012 8.295 -1.681
2 HA ASP 1 HA ASP 1 -15.680 9.970 -0.074
3 HB2 ASP 1 1HB ASP 1 -18.205 8.540 -0.473
4 HB3 ASP 1 2HB ASP 1 -17.800 8.593 1.231
5 HD2 ASP 1 HD2 ASP 1 -19.627 11.578 0.924
6 H ALA 2 H ALA 2 -16.427 6.412 0.047
7 HA ALA 2 HA ALA 2 -15.052 6.188 2.595
8 HB1 ALA 2 3HB ALA 2 -15.834 3.648 1.632
9 HB2 ALA 2 1HB ALA 2 -16.662 4.640 2.856
10 HB3 ALA 2 2HB ALA 2 -17.129 4.769 1.143
11 H GLY 3 H GLY 3 -14.243 6.294 -0.684
12 HA2 GLY 3 1HA GLY 3 -12.360 4.158 -0.821
13 HA3 GLY 3 2HA GLY 3 -12.515 5.520 -1.914
14 H HIS 4 H HIS 4 -12.384 6.877 1.150
15 HA HIS 4 HA HIS 4 -9.752 7.815 0.724
16 HB2 HIS 4 1HB HIS 4 -10.205 9.322 2.376
17 HB3 HIS 4 2HB HIS 4 -11.836 8.911 1.885
18 HD1 HIS 4 HD1 HIS 4 -9.299 7.967 4.589
19 HD2 HIS 4 HD2 HIS 4 -13.440 7.979 3.915
20 HE1 HIS 4 HE1 HIS 4 -10.386 7.310 6.803
21 H GLY 5 H GLY 5 -11.167 5.058 2.353
22 HA2 GLY 5 1HA GLY 5 -8.904 4.636 4.114
23 HA3 GLY 5 2HA GLY 5 -10.318 3.619 3.917
24 H GLN 6 H GLN 6 -9.576 4.155 0.780
25 HA GLN 6 HA GLN 6 -8.337 1.626 0.537
26 HB2 GLN 6 1HB GLN 6 -9.682 3.558 -1.188
27 HB3 GLN 6 2HB GLN 6 -8.228 2.963 -1.965
28 HG2 GLN 6 1HG GLN 6 -10.134 1.501 -2.518
29 HG3 GLN 6 2HG GLN 6 -8.957 0.614 -1.570
30 HE21 GLN 6 2HE2 GLN 6 -9.855 -0.676 -0.173
31 HE22 GLN 6 1HE2 GLN 6 -11.271 -0.381 0.781
32 H ILE 7 H ILE 7 -7.205 4.850 1.025
33 HA ILE 7 HA ILE 7 -4.826 4.745 -0.466
34 HB ILE 7 HB ILE 7 -4.135 6.606 1.006
35 HG12 ILE 7 1HG1 ILE 7 -6.342 7.336 2.438
36 HG13 ILE 7 2HG1 ILE 7 -6.389 5.595 2.632
37 HG21 ILE 7 1HG2 ILE 7 -6.215 6.506 -0.884
38 HG22 ILE 7 2HG2 ILE 7 -6.792 7.565 0.426
39 HG23 ILE 7 3HG2 ILE 7 -5.250 7.917 -0.392
40 HD11 ILE 7 3HD1 ILE 7 -3.816 7.163 3.052
41 HD12 ILE 7 1HD1 ILE 7 -5.001 6.927 4.359
42 HD13 ILE 7 2HD1 ILE 7 -4.209 5.520 3.612
43 H SER 8 H SER 8 -5.893 3.122 2.414
44 HA SER 8 HA SER 8 -3.351 2.846 3.585
45 HB2 SER 8 1HB SER 8 -6.036 2.208 4.245
46 HB3 SER 8 2HB SER 8 -5.190 0.673 4.236
47 HG SER 8 HG SER 8 -4.411 3.041 5.715
48 H HIS 9 H HIS 9 -5.022 1.342 0.908
49 HA HIS 9 HA HIS 9 -3.581 -1.119 1.041
50 HB2 HIS 9 1HB HIS 9 -4.981 -1.817 -0.581
51 HB3 HIS 9 2HB HIS 9 -5.925 -0.436 -0.062
52 HD1 HIS 9 HD1 HIS 9 -4.357 1.848 -1.490
53 HD2 HIS 9 HD2 HIS 9 -5.431 -1.785 -3.291
54 HE1 HIS 9 HE1 HIS 9 -4.400 2.282 -4.004
55 H LYS 10 H LYS 10 -2.979 2.117 -0.085
56 HA LYS 10 HA LYS 10 -1.220 1.498 -2.192
57 HB2 LYS 10 1HB LYS 10 -2.434 3.741 -1.383
58 HB3 LYS 10 2HB LYS 10 -0.889 4.001 -0.598
59 HG2 LYS 10 1HG LYS 10 0.098 4.531 -2.570
60 HG3 LYS 10 2HG LYS 10 -0.425 3.023 -3.295
61 HD2 LYS 10 1HD LYS 10 -2.193 4.007 -4.369
62 HD3 LYS 10 2HD LYS 10 -2.636 4.963 -2.970
63 HE2 LYS 10 1HE LYS 10 -0.104 5.717 -4.423
64 HE3 LYS 10 2HE LYS 10 -1.627 6.089 -5.205
65 HZ1 LYS 10 2HZ LYS 10 -0.518 7.692 -3.397
66 HZ3 LYS 10 1HZ LYS 10 -1.452 6.818 -2.391
67 H ARG 11 H ARG 11 -1.002 1.188 1.258
68 HA ARG 11 HA ARG 11 1.787 1.545 1.406
69 HB2 ARG 11 1HB ARG 11 -0.401 0.568 3.223
70 HB3 ARG 11 2HB ARG 11 1.228 0.062 3.629
71 HG2 ARG 11 1HG ARG 11 1.988 2.294 3.940
72 HG3 ARG 11 2HG ARG 11 0.678 2.977 2.995
73 HD2 ARG 11 1HD ARG 11 -0.954 2.447 4.752
74 HD3 ARG 11 2HD ARG 11 0.244 1.546 5.659
75 HE ARG 11 HE ARG 11 1.125 3.562 6.471
76 HH11 ARG 11 2HH2 ARG 11 -0.970 4.254 3.699
77 HH12 ARG 11 1HH2 ARG 11 -0.913 5.970 3.926
78 HH22 ARG 11 1HH ARG 11 0.369 6.872 5.739
79 H HIS 12 H HIS 12 -0.162 -0.857 0.012
80 HA HIS 12 HA HIS 12 1.253 -3.163 0.816
81 HB2 HIS 12 1HB HIS 12 -0.652 -2.540 -1.441
82 HB3 HIS 12 2HB HIS 12 0.109 -4.111 -1.290
83 HD1 HIS 12 HD1 HIS 12 -1.691 -1.802 1.210
84 HD2 HIS 12 HD2 HIS 12 -1.607 -5.805 -0.039
85 HE1 HIS 12 HE1 HIS 12 -3.416 -3.030 2.634
86 H LYS 13 H LYS 13 1.929 -0.530 -1.352
87 HA LYS 13 HA LYS 13 3.600 -1.993 -3.130
88 HB2 LYS 13 1HB LYS 13 4.119 0.126 -4.081
89 HB3 LYS 13 2HB LYS 13 2.415 0.143 -3.677
90 HG2 LYS 13 1HG LYS 13 2.906 2.128 -2.646
91 HG3 LYS 13 2HG LYS 13 3.468 1.112 -1.333
92 HD2 LYS 13 1HD LYS 13 5.778 1.118 -2.397
93 HD3 LYS 13 2HD LYS 13 5.183 2.262 -3.585
94 HE2 LYS 13 1HE LYS 13 4.406 3.641 -1.437
95 HE3 LYS 13 2HE LYS 13 5.607 2.666 -0.614
96 HZ1 LYS 13 2HZ LYS 13 7.086 4.152 -1.400
97 HZ3 LYS 13 1HZ LYS 13 6.025 4.833 -2.431
98 H THR 14 H THR 14 3.906 -0.662 0.096
99 HA THR 14 HA THR 14 6.761 -0.426 0.018
100 HB THR 14 HB THR 14 4.610 -0.369 2.188
101 HG1 THR 14 HG1 THR 14 4.707 1.705 1.428
102 HG21 THR 14 3HG2 THR 14 7.551 -0.602 2.443
103 HG22 THR 14 1HG2 THR 14 6.915 0.898 3.162
104 HG23 THR 14 2HG2 THR 14 6.302 -0.682 3.709
105 H ASP 15 H ASP 15 4.459 -3.027 0.470
106 HA ASP 15 HA ASP 15 6.206 -4.643 1.974
107 HB2 ASP 15 1HB ASP 15 3.673 -5.110 0.371
108 HB3 ASP 15 2HB ASP 15 4.563 -6.480 1.003
109 HD2 ASP 15 HD2 ASP 15 4.776 -6.566 3.256
110 H SER 16 H SER 16 5.650 -3.897 -1.451
111 HA SER 16 HA SER 16 6.900 -6.228 -2.440
112 HB2 SER 16 1HB SER 16 5.236 -4.932 -3.748
113 HB3 SER 16 2HB SER 16 6.313 -3.549 -3.779
114 HG SER 16 HG SER 16 7.545 -5.884 -4.689
115 H PHE 17 H PHE 17 7.966 -3.161 -1.143
116 HA PHE 17 HA PHE 17 10.441 -3.058 -2.542
117 HB2 PHE 17 1HB PHE 17 9.801 -0.964 -1.668
118 HB3 PHE 17 2HB PHE 17 8.943 -1.688 -0.321
119 HD1 PHE 17 HD1 PHE 17 10.154 -2.311 1.731
120 HD2 PHE 17 HD2 PHE 17 12.118 -0.345 -1.476
121 HE1 PHE 17 HE1 PHE 17 12.055 -1.718 3.258
122 HE2 PHE 17 HE2 PHE 17 14.020 0.248 0.052
123 HZ PHE 17 HZ PHE 17 13.965 -0.446 2.401
124 H VAL 18 H VAL 18 9.204 -4.785 0.253
125 HA VAL 18 HA VAL 18 11.689 -5.099 1.578
126 HB VAL 18 HB VAL 18 9.260 -6.884 1.725
127 HG11 VAL 18 1HG1 VAL 18 11.624 -6.329 3.505
128 HG12 VAL 18 2HG1 VAL 18 10.080 -6.871 4.206
129 HG13 VAL 18 3HG1 VAL 18 10.919 -7.886 3.008
130 HG21 VAL 18 3HG2 VAL 18 9.266 -4.900 3.794
131 HG22 VAL 18 1HG2 VAL 18 9.363 -4.082 2.217
132 HG23 VAL 18 2HG2 VAL 18 8.033 -5.217 2.549
133 H GLY 19 H GLY 19 10.030 -6.697 -1.120
134 HA2 GLY 19 1HA GLY 19 11.788 -9.002 -1.066
135 HA3 GLY 19 2HA GLY 19 10.518 -8.644 -2.221
136 H LEU 20 H LEU 20 12.214 -5.775 -1.916
137 HA LEU 20 HA LEU 20 13.661 -6.332 -4.369
138 HB2 LEU 20 1HB LEU 20 12.307 -4.087 -3.204
139 HB3 LEU 20 2HB LEU 20 13.968 -3.643 -3.545
140 HG LEU 20 HG LEU 20 13.544 -4.634 -5.900
141 HD11 LEU 20 1HD1 LEU 20 11.560 -5.524 -6.324
142 HD12 LEU 20 2HD1 LEU 20 10.985 -5.092 -4.695
143 HD13 LEU 20 3HD1 LEU 20 10.801 -3.939 -6.039
144 HD21 LEU 20 3HD2 LEU 20 12.257 -2.055 -4.968
145 HD22 LEU 20 1HD2 LEU 20 13.922 -2.287 -5.555
146 HD23 LEU 20 2HD2 LEU 20 12.549 -2.485 -6.671
147 H MET 21 H MET 21 14.164 -5.977 -0.921
148 HA MET 21 HA MET 21 16.866 -5.191 -1.118
149 HB2 MET 21 1HB MET 21 14.944 -5.334 0.886
150 HB3 MET 21 2HB MET 21 15.941 -6.718 1.292
151 HG2 MET 21 1HG MET 21 17.693 -5.409 1.984
152 HG3 MET 21 2HG MET 21 17.542 -4.318 0.621
153 HE1 MET 21 3HE MET 21 15.436 -4.243 4.632
154 HE2 MET 21 1HE MET 21 16.413 -5.524 3.874
155 HE3 MET 21 2HE MET 21 17.206 -4.078 4.543
Start of MODEL 16
1 H1 ASP 1 H ASP 1 -15.394 11.398 1.901
2 HA ASP 1 HA ASP 1 -16.903 9.848 0.484
3 HB2 ASP 1 1HB ASP 1 -14.362 10.270 -1.041
4 HB3 ASP 1 2HB ASP 1 -14.897 8.605 -0.928
5 HD2 ASP 1 HD2 ASP 1 -14.909 10.921 -2.927
6 H ALA 2 H ALA 2 -16.549 7.485 0.995
7 HA ALA 2 HA ALA 2 -14.777 7.211 3.278
8 HB1 ALA 2 3HB ALA 2 -16.767 5.212 2.149
9 HB2 ALA 2 1HB ALA 2 -16.090 5.273 3.794
10 HB3 ALA 2 2HB ALA 2 -17.232 6.527 3.254
11 H GLY 3 H GLY 3 -14.616 6.838 -0.079
12 HA2 GLY 3 1HA GLY 3 -13.226 4.354 -0.253
13 HA3 GLY 3 2HA GLY 3 -13.341 5.605 -1.476
14 H HIS 4 H HIS 4 -12.359 7.192 1.315
15 HA HIS 4 HA HIS 4 -9.751 7.558 0.313
16 HB2 HIS 4 1HB HIS 4 -11.475 8.694 2.344
17 HB3 HIS 4 2HB HIS 4 -9.856 8.472 2.979
18 HD1 HIS 4 HD1 HIS 4 -7.975 9.293 0.856
19 HD2 HIS 4 HD2 HIS 4 -11.672 11.213 1.343
20 HE1 HIS 4 HE1 HIS 4 -7.740 11.585 -0.240
21 H GLY 5 H GLY 5 -11.244 5.190 2.386
22 HA2 GLY 5 1HA GLY 5 -8.846 4.498 3.831
23 HA3 GLY 5 2HA GLY 5 -10.387 3.663 3.838
24 H GLN 6 H GLN 6 -10.192 3.854 0.670
25 HA GLN 6 HA GLN 6 -9.122 1.255 0.419
26 HB2 GLN 6 1HB GLN 6 -10.467 3.252 -1.358
27 HB3 GLN 6 2HB GLN 6 -9.463 2.062 -2.163
28 HG2 GLN 6 1HG GLN 6 -11.257 0.668 -2.030
29 HG3 GLN 6 2HG GLN 6 -10.858 0.494 -0.333
30 HE21 GLN 6 2HE2 GLN 6 -12.154 1.298 1.195
31 HE22 GLN 6 1HE2 GLN 6 -13.619 2.181 0.918
32 H ILE 7 H ILE 7 -7.792 4.450 0.349
33 HA ILE 7 HA ILE 7 -5.684 3.900 -1.492
34 HB ILE 7 HB ILE 7 -6.786 6.145 -0.755
35 HG12 ILE 7 1HG1 ILE 7 -3.832 6.420 -0.983
36 HG13 ILE 7 2HG1 ILE 7 -4.630 5.501 -2.243
37 HG21 ILE 7 1HG2 ILE 7 -6.083 5.681 1.679
38 HG22 ILE 7 2HG2 ILE 7 -4.461 6.195 1.159
39 HG23 ILE 7 3HG2 ILE 7 -5.835 7.317 1.023
40 HD11 ILE 7 3HD1 ILE 7 -4.777 8.407 -1.639
41 HD12 ILE 7 1HD1 ILE 7 -5.003 7.552 -3.185
42 HD13 ILE 7 2HD1 ILE 7 -6.344 7.650 -2.018
43 H SER 8 H SER 8 -6.383 3.042 1.782
44 HA SER 8 HA SER 8 -3.733 3.018 2.712
45 HB2 SER 8 1HB SER 8 -5.907 3.016 4.089
46 HB3 SER 8 2HB SER 8 -6.039 1.308 3.726
47 HG SER 8 HG SER 8 -4.712 2.348 5.740
48 H HIS 9 H HIS 9 -5.379 1.149 0.385
49 HA HIS 9 HA HIS 9 -4.036 -1.322 1.001
50 HB2 HIS 9 1HB HIS 9 -6.415 -0.889 -0.069
51 HB3 HIS 9 2HB HIS 9 -5.505 -0.809 -1.563
52 HD1 HIS 9 HD1 HIS 9 -3.927 -3.029 -2.045
53 HD2 HIS 9 HD2 HIS 9 -7.041 -3.437 0.736
54 HE1 HIS 9 HE1 HIS 9 -4.337 -5.535 -1.794
55 H LYS 10 H LYS 10 -3.020 1.593 -0.183
56 HA LYS 10 HA LYS 10 -1.481 0.571 -2.403
57 HB2 LYS 10 1HB LYS 10 -1.067 2.765 -2.944
58 HB3 LYS 10 2HB LYS 10 -2.618 2.911 -2.143
59 HG2 LYS 10 1HG LYS 10 -1.448 3.482 0.002
60 HG3 LYS 10 2HG LYS 10 0.097 3.358 -0.814
61 HD2 LYS 10 1HD LYS 10 -0.480 5.215 -2.318
62 HD3 LYS 10 2HD LYS 10 -2.115 5.271 -1.691
63 HE2 LYS 10 1HE LYS 10 -1.180 6.959 -0.400
64 HE3 LYS 10 2HE LYS 10 -0.848 5.601 0.655
65 HZ1 LYS 10 2HZ LYS 10 1.274 6.344 0.471
66 HZ3 LYS 10 1HZ LYS 10 1.015 7.169 -0.910
67 H ARG 11 H ARG 11 -1.274 0.481 0.969
68 HA ARG 11 HA ARG 11 1.429 1.082 1.290
69 HB2 ARG 11 1HB ARG 11 1.072 0.505 3.516
70 HB3 ARG 11 2HB ARG 11 -0.599 0.693 3.022
71 HG2 ARG 11 1HG ARG 11 0.947 -1.941 3.103
72 HG3 ARG 11 2HG ARG 11 -0.267 -1.433 4.262
73 HD2 ARG 11 1HD ARG 11 -2.042 -1.778 2.775
74 HD3 ARG 11 2HD ARG 11 -1.066 -1.447 1.357
75 HE ARG 11 HE ARG 11 0.096 -3.745 2.218
76 HH11 ARG 11 2HH2 ARG 11 -3.331 -2.915 1.868
77 HH12 ARG 11 1HH2 ARG 11 -3.822 -4.546 1.558
78 HH22 ARG 11 1HH ARG 11 -2.172 -6.283 1.527
79 H HIS 12 H HIS 12 -0.092 -1.423 -0.403
80 HA HIS 12 HA HIS 12 1.458 -3.631 0.347
81 HB2 HIS 12 1HB HIS 12 0.515 -4.720 -1.520
82 HB3 HIS 12 2HB HIS 12 -0.724 -3.643 -0.906
83 HD1 HIS 12 HD1 HIS 12 -0.408 -1.052 -2.241
84 HD2 HIS 12 HD2 HIS 12 0.528 -4.621 -4.235
85 HE1 HIS 12 HE1 HIS 12 -0.506 -0.524 -4.735
86 H LYS 13 H LYS 13 2.059 -0.806 -1.678
87 HA LYS 13 HA LYS 13 4.097 -1.857 -3.267
88 HB2 LYS 13 1HB LYS 13 3.100 0.829 -2.494
89 HB3 LYS 13 2HB LYS 13 4.763 0.765 -3.044
90 HG2 LYS 13 1HG LYS 13 4.143 -0.200 -5.162
91 HG3 LYS 13 2HG LYS 13 2.537 -0.612 -4.597
92 HD2 LYS 13 1HD LYS 13 2.691 2.170 -4.186
93 HD3 LYS 13 2HD LYS 13 3.529 1.931 -5.706
94 HE2 LYS 13 1HE LYS 13 1.389 0.321 -6.168
95 HE3 LYS 13 2HE LYS 13 0.646 1.421 -5.022
96 HZ1 LYS 13 2HZ LYS 13 0.757 3.127 -6.507
97 HZ3 LYS 13 1HZ LYS 13 0.864 1.956 -7.634
98 H THR 14 H THR 14 3.938 -1.064 0.140
99 HA THR 14 HA THR 14 6.762 -0.705 0.463
100 HB THR 14 HB THR 14 4.704 0.164 1.887
101 HG1 THR 14 HG1 THR 14 6.266 -0.093 3.774
102 HG21 THR 14 3HG2 THR 14 5.345 -2.165 3.662
103 HG22 THR 14 1HG2 THR 14 3.832 -1.241 3.514
104 HG23 THR 14 2HG2 THR 14 4.222 -2.505 2.324
105 H ASP 15 H ASP 15 4.578 -3.434 0.212
106 HA ASP 15 HA ASP 15 6.233 -5.204 1.644
107 HB2 ASP 15 1HB ASP 15 3.967 -5.547 -0.355
108 HB3 ASP 15 2HB ASP 15 4.823 -6.939 0.276
109 HD2 ASP 15 HD2 ASP 15 2.017 -5.229 2.447
110 H SER 16 H SER 16 6.027 -3.933 -1.663
111 HA SER 16 HA SER 16 7.516 -6.021 -2.848
112 HB2 SER 16 1HB SER 16 5.943 -4.612 -4.140
113 HB3 SER 16 2HB SER 16 6.907 -3.189 -3.803
114 HG SER 16 HG SER 16 7.936 -5.515 -5.186
115 H PHE 17 H PHE 17 8.245 -3.172 -0.958
116 HA PHE 17 HA PHE 17 10.850 -2.736 -2.016
117 HB2 PHE 17 1HB PHE 17 8.955 -1.515 -0.272
118 HB3 PHE 17 2HB PHE 17 10.285 -1.934 0.791
119 HD1 PHE 17 HD2 PHE 17 12.477 -0.889 0.513
120 HD2 PHE 17 HD1 PHE 17 9.218 0.173 -1.989
121 HE1 PHE 17 HE2 PHE 17 13.715 1.164 -0.228
122 HE2 PHE 17 HE1 PHE 17 10.456 2.226 -2.730
123 HZ PHE 17 HZ PHE 17 12.691 2.697 -1.841
124 H VAL 18 H VAL 18 9.415 -4.945 0.311
125 HA VAL 18 HA VAL 18 11.774 -5.381 1.827
126 HB VAL 18 HB VAL 18 9.433 -7.249 1.471
127 HG11 VAL 18 1HG1 VAL 18 10.241 -8.373 3.234
128 HG12 VAL 18 2HG1 VAL 18 11.757 -7.477 2.967
129 HG13 VAL 18 3HG1 VAL 18 10.564 -6.878 4.146
130 HG21 VAL 18 3HG2 VAL 18 9.556 -4.571 2.765
131 HG22 VAL 18 1HG2 VAL 18 8.180 -5.436 2.035
132 HG23 VAL 18 2HG2 VAL 18 8.734 -5.865 3.672
133 H GLY 19 H GLY 19 10.443 -6.589 -1.232
134 HA2 GLY 19 1HA GLY 19 12.276 -8.831 -1.348
135 HA3 GLY 19 2HA GLY 19 11.111 -8.331 -2.557
136 H LEU 20 H LEU 20 12.654 -5.502 -1.658
137 HA LEU 20 HA LEU 20 14.352 -5.644 -4.008
138 HB2 LEU 20 1HB LEU 20 12.740 -3.672 -2.779
139 HB3 LEU 20 2HB LEU 20 14.397 -3.113 -2.653
140 HG LEU 20 HG LEU 20 13.268 -2.266 -4.661
141 HD11 LEU 20 1HD1 LEU 20 15.681 -4.030 -4.907
142 HD12 LEU 20 2HD1 LEU 20 15.009 -3.243 -6.355
143 HD13 LEU 20 3HD1 LEU 20 15.549 -2.256 -4.976
144 HD21 LEU 20 3HD2 LEU 20 12.017 -3.509 -6.013
145 HD22 LEU 20 1HD2 LEU 20 13.319 -4.700 -6.238
146 HD23 LEU 20 2HD2 LEU 20 12.212 -4.843 -4.852
147 H MET 21 H MET 21 14.505 -5.797 -0.510
148 HA MET 21 HA MET 21 17.250 -5.021 -0.425
149 HB2 MET 21 1HB MET 21 15.079 -5.829 1.479
150 HB3 MET 21 2HB MET 21 16.696 -6.258 2.001
151 HG2 MET 21 1HG MET 21 16.978 -3.616 1.053
152 HG3 MET 21 2HG MET 21 15.425 -3.604 1.865
153 HE1 MET 21 3HE MET 21 16.022 -5.754 4.631
154 HE2 MET 21 1HE MET 21 15.893 -4.139 5.369
155 HE3 MET 21 2HE MET 21 14.926 -4.541 3.930
Start of MODEL 17
1 H1 ASP 1 H ASP 1 -17.135 8.482 -1.514
2 HA ASP 1 HA ASP 1 -14.434 8.918 -2.522
3 HB2 ASP 1 1HB ASP 1 -15.847 10.142 -0.105
4 HB3 ASP 1 2HB ASP 1 -14.175 10.448 -0.534
5 HD2 ASP 1 HD2 ASP 1 -13.800 11.818 -2.187
6 H ALA 2 H ALA 2 -16.005 6.461 -1.354
7 HA ALA 2 HA ALA 2 -14.936 5.983 1.220
8 HB1 ALA 2 3HB ALA 2 -15.678 3.590 0.613
9 HB2 ALA 2 1HB ALA 2 -16.935 4.850 0.629
10 HB3 ALA 2 2HB ALA 2 -16.258 4.289 -0.918
11 H GLY 3 H GLY 3 -13.472 6.199 -1.826
12 HA2 GLY 3 1HA GLY 3 -11.643 4.012 -1.651
13 HA3 GLY 3 2HA GLY 3 -11.557 5.398 -2.721
14 H HIS 4 H HIS 4 -12.008 6.684 0.345
15 HA HIS 4 HA HIS 4 -9.367 7.636 0.463
16 HB2 HIS 4 1HB HIS 4 -10.124 9.018 2.110
17 HB3 HIS 4 2HB HIS 4 -11.644 8.617 1.335
18 HD1 HIS 4 HD1 HIS 4 -13.248 6.937 2.612
19 HD2 HIS 4 HD2 HIS 4 -9.831 8.106 4.747
20 HE1 HIS 4 HE1 HIS 4 -13.660 6.271 5.040
21 H GLY 5 H GLY 5 -10.869 4.689 1.486
22 HA2 GLY 5 1HA GLY 5 -9.053 4.177 3.680
23 HA3 GLY 5 2HA GLY 5 -10.270 3.104 3.018
24 H GLN 6 H GLN 6 -9.008 3.934 0.203
25 HA GLN 6 HA GLN 6 -7.430 1.617 0.041
26 HB2 GLN 6 1HB GLN 6 -8.691 3.456 -1.757
27 HB3 GLN 6 2HB GLN 6 -7.001 3.386 -2.211
28 HG2 GLN 6 1HG GLN 6 -7.073 1.071 -2.675
29 HG3 GLN 6 2HG GLN 6 -8.453 0.797 -1.630
30 HE21 GLN 6 2HE2 GLN 6 -10.518 1.758 -2.265
31 HE22 GLN 6 1HE2 GLN 6 -10.935 1.853 -3.944
32 H ILE 7 H ILE 7 -6.799 4.935 0.903
33 HA ILE 7 HA ILE 7 -4.099 5.039 0.064
34 HB ILE 7 HB ILE 7 -5.626 6.615 2.139
35 HG12 ILE 7 1HG1 ILE 7 -4.908 7.460 -0.672
36 HG13 ILE 7 2HG1 ILE 7 -6.409 6.635 -0.303
37 HG21 ILE 7 1HG2 ILE 7 -2.813 6.548 1.543
38 HG22 ILE 7 2HG2 ILE 7 -3.493 8.127 1.082
39 HG23 ILE 7 3HG2 ILE 7 -3.696 7.521 2.744
40 HD11 ILE 7 3HD1 ILE 7 -5.456 9.314 0.789
41 HD12 ILE 7 1HD1 ILE 7 -6.893 8.990 -0.211
42 HD13 ILE 7 2HD1 ILE 7 -6.839 8.432 1.478
43 H SER 8 H SER 8 -5.799 3.498 2.707
44 HA SER 8 HA SER 8 -3.453 3.365 4.335
45 HB2 SER 8 1HB SER 8 -5.969 3.442 5.083
46 HB3 SER 8 2HB SER 8 -5.972 1.723 4.739
47 HG SER 8 HG SER 8 -3.770 2.097 6.181
48 H HIS 9 H HIS 9 -4.822 1.658 1.656
49 HA HIS 9 HA HIS 9 -3.732 -0.894 2.384
50 HB2 HIS 9 1HB HIS 9 -5.266 0.219 0.057
51 HB3 HIS 9 2HB HIS 9 -4.398 -1.292 -0.139
52 HD1 HIS 9 HD1 HIS 9 -6.586 -2.674 -0.349
53 HD2 HIS 9 HD2 HIS 9 -6.216 -0.596 3.277
54 HE1 HIS 9 HE1 HIS 9 -8.397 -3.597 1.193
55 H LYS 10 H LYS 10 -2.555 2.058 1.088
56 HA LYS 10 HA LYS 10 -0.685 1.049 -0.756
57 HB2 LYS 10 1HB LYS 10 -0.030 3.222 -0.997
58 HB3 LYS 10 2HB LYS 10 -1.618 3.475 -0.300
59 HG2 LYS 10 1HG LYS 10 -0.557 3.618 1.987
60 HG3 LYS 10 2HG LYS 10 1.020 3.448 1.243
61 HD2 LYS 10 1HD LYS 10 0.055 5.507 -0.263
62 HD3 LYS 10 2HD LYS 10 -0.859 5.788 1.205
63 HE2 LYS 10 1HE LYS 10 1.479 5.488 2.415
64 HE3 LYS 10 2HE LYS 10 2.150 5.799 0.827
65 HZ1 LYS 10 2HZ LYS 10 1.923 7.897 1.889
66 HZ3 LYS 10 1HZ LYS 10 0.403 7.607 2.395
67 H ARG 11 H ARG 11 -0.900 0.942 2.708
68 HA ARG 11 HA ARG 11 1.812 0.998 3.287
69 HB2 ARG 11 1HB ARG 11 -0.707 0.158 4.656
70 HB3 ARG 11 2HB ARG 11 0.737 -0.631 5.255
71 HG2 ARG 11 1HG ARG 11 1.133 1.231 6.491
72 HG3 ARG 11 2HG ARG 11 1.524 2.056 4.996
73 HD2 ARG 11 1HD ARG 11 -0.294 3.390 5.249
74 HD3 ARG 11 2HD ARG 11 -1.342 1.987 5.172
75 HE ARG 11 HE ARG 11 -0.431 3.366 7.609
76 HH11 ARG 11 2HH2 ARG 11 -1.893 0.424 6.281
77 HH12 ARG 11 1HH2 ARG 11 -2.610 -0.047 7.785
78 HH22 ARG 11 1HH ARG 11 -2.295 1.332 9.719
79 H HIS 12 H HIS 12 -0.217 -1.370 1.734
80 HA HIS 12 HA HIS 12 1.452 -3.598 2.459
81 HB2 HIS 12 1HB HIS 12 -0.934 -3.320 0.615
82 HB3 HIS 12 2HB HIS 12 -0.076 -4.826 0.871
83 HD1 HIS 12 HD1 HIS 12 -2.644 -2.611 2.371
84 HD2 HIS 12 HD2 HIS 12 -0.311 -5.885 3.567
85 HE1 HIS 12 HE1 HIS 12 -3.706 -3.502 4.513
86 H LYS 13 H LYS 13 1.263 -1.111 0.004
87 HA LYS 13 HA LYS 13 2.614 -2.563 -2.026
88 HB2 LYS 13 1HB LYS 13 1.581 0.163 -1.598
89 HB3 LYS 13 2HB LYS 13 3.028 0.098 -2.583
90 HG2 LYS 13 1HG LYS 13 1.898 -0.798 -4.342
91 HG3 LYS 13 2HG LYS 13 1.188 -2.048 -3.341
92 HD2 LYS 13 1HD LYS 13 -0.340 -0.038 -2.458
93 HD3 LYS 13 2HD LYS 13 0.121 0.709 -3.974
94 HE2 LYS 13 1HE LYS 13 -0.945 -2.139 -3.910
95 HE3 LYS 13 2HE LYS 13 -2.043 -0.773 -3.916
96 HZ1 LYS 13 2HZ LYS 13 -0.876 -1.868 -6.131
97 HZ3 LYS 13 1HZ LYS 13 -0.002 -0.511 -5.914
98 H THR 14 H THR 14 3.557 -0.938 0.929
99 HA THR 14 HA THR 14 6.264 -0.460 0.119
100 HB THR 14 HB THR 14 4.772 -0.449 2.792
101 HG1 THR 14 HG1 THR 14 5.882 1.515 0.911
102 HG21 THR 14 3HG2 THR 14 7.325 -0.791 2.999
103 HG22 THR 14 1HG2 THR 14 7.504 0.766 2.156
104 HG23 THR 14 2HG2 THR 14 6.690 0.698 3.737
105 H ASP 15 H ASP 15 4.433 -3.204 1.295
106 HA ASP 15 HA ASP 15 6.658 -4.525 2.406
107 HB2 ASP 15 1HB ASP 15 3.872 -5.347 1.529
108 HB3 ASP 15 2HB ASP 15 5.031 -6.576 1.995
109 HD2 ASP 15 HD2 ASP 15 3.680 -7.075 3.676
110 H SER 16 H SER 16 5.203 -4.128 -0.805
111 HA SER 16 HA SER 16 6.411 -6.417 -1.935
112 HB2 SER 16 1HB SER 16 4.320 -5.125 -2.750
113 HB3 SER 16 2HB SER 16 5.435 -3.962 -3.442
114 HG SER 16 HG SER 16 5.288 -6.789 -4.057
115 H PHE 17 H PHE 17 7.431 -3.168 -1.140
116 HA PHE 17 HA PHE 17 9.462 -2.970 -3.121
117 HB2 PHE 17 1HB PHE 17 8.457 -1.564 -0.648
118 HB3 PHE 17 2HB PHE 17 10.143 -1.272 -1.025
119 HD1 PHE 17 HD1 PHE 17 6.933 -1.451 -2.943
120 HD2 PHE 17 HD2 PHE 17 10.537 0.660 -2.196
121 HE1 PHE 17 HE1 PHE 17 6.257 0.294 -4.615
122 HE2 PHE 17 HE2 PHE 17 9.861 2.406 -3.869
123 HZ PHE 17 HZ PHE 17 7.730 2.202 -5.059
124 H VAL 18 H VAL 18 9.142 -4.552 -0.002
125 HA VAL 18 HA VAL 18 11.882 -4.528 0.689
126 HB VAL 18 HB VAL 18 9.838 -6.589 1.499
127 HG11 VAL 18 1HG1 VAL 18 11.590 -7.255 2.732
128 HG12 VAL 18 2HG1 VAL 18 12.498 -5.758 2.409
129 HG13 VAL 18 3HG1 VAL 18 11.293 -5.802 3.718
130 HG21 VAL 18 3HG2 VAL 18 9.403 -4.884 3.422
131 HG22 VAL 18 1HG2 VAL 18 10.005 -3.679 2.259
132 HG23 VAL 18 2HG2 VAL 18 8.578 -4.665 1.861
133 H GLY 19 H GLY 19 9.844 -6.477 -1.465
134 HA2 GLY 19 1HA GLY 19 11.811 -8.586 -1.724
135 HA3 GLY 19 2HA GLY 19 10.288 -8.426 -2.575
136 H LEU 20 H LEU 20 11.666 -5.393 -2.794
137 HA LEU 20 HA LEU 20 12.608 -5.974 -5.477
138 HB2 LEU 20 1HB LEU 20 11.219 -3.848 -4.204
139 HB3 LEU 20 2HB LEU 20 12.742 -3.204 -4.783
140 HG LEU 20 HG LEU 20 10.953 -2.910 -6.419
141 HD11 LEU 20 1HD1 LEU 20 12.341 -4.770 -8.074
142 HD12 LEU 20 2HD1 LEU 20 12.546 -3.006 -7.954
143 HD13 LEU 20 3HD1 LEU 20 13.499 -4.085 -6.908
144 HD21 LEU 20 3HD2 LEU 20 9.690 -4.612 -7.371
145 HD22 LEU 20 1HD2 LEU 20 10.823 -5.884 -6.855
146 HD23 LEU 20 2HD2 LEU 20 9.777 -5.085 -5.657
147 H MET 21 H MET 21 13.795 -5.312 -2.247
148 HA MET 21 HA MET 21 16.347 -4.447 -3.233
149 HB2 MET 21 1HB MET 21 14.859 -4.505 -0.681
150 HB3 MET 21 2HB MET 21 16.512 -5.043 -0.454
151 HG2 MET 21 1HG MET 21 16.970 -2.798 -0.299
152 HG3 MET 21 2HG MET 21 16.955 -2.856 -2.050
153 HE1 MET 21 3HE MET 21 16.676 -0.350 -0.704
154 HE2 MET 21 1HE MET 21 15.065 0.398 -0.603
155 HE3 MET 21 2HE MET 21 15.642 -0.652 0.713
Start of MODEL 18
1 H1 ASP 1 H ASP 1 -15.654 8.469 2.147
2 HA ASP 1 HA ASP 1 -15.340 8.584 4.317
3 HB2 ASP 1 1HB ASP 1 -17.855 7.081 4.252
4 HB3 ASP 1 2HB ASP 1 -16.827 6.490 5.542
5 HD2 ASP 1 HD2 ASP 1 -17.583 7.533 7.395
6 H ALA 2 H ALA 2 -16.059 5.223 3.122
7 HA ALA 2 HA ALA 2 -13.818 4.179 4.646
8 HB1 ALA 2 3HB ALA 2 -16.315 3.184 3.520
9 HB2 ALA 2 1HB ALA 2 -14.940 2.162 3.035
10 HB3 ALA 2 2HB ALA 2 -15.264 2.459 4.760
11 H GLY 3 H GLY 3 -14.324 5.748 1.696
12 HA2 GLY 3 1HA GLY 3 -12.678 4.168 -0.017
13 HA3 GLY 3 2HA GLY 3 -13.217 5.816 -0.272
14 H HIS 4 H HIS 4 -11.892 5.797 2.810
15 HA HIS 4 HA HIS 4 -9.651 7.272 1.992
16 HB2 HIS 4 1HB HIS 4 -10.446 7.904 4.054
17 HB3 HIS 4 2HB HIS 4 -10.760 6.261 4.573
18 HD1 HIS 4 HD1 HIS 4 -8.951 5.077 5.922
19 HD2 HIS 4 HD2 HIS 4 -7.645 8.688 4.234
20 HE1 HIS 4 HE1 HIS 4 -6.660 5.555 6.940
21 H GLY 5 H GLY 5 -10.275 3.921 1.988
22 HA2 GLY 5 1HA GLY 5 -7.570 3.082 2.616
23 HA3 GLY 5 2HA GLY 5 -8.923 2.077 2.136
24 H GLN 6 H GLN 6 -9.425 4.160 -0.168
25 HA GLN 6 HA GLN 6 -8.268 2.688 -2.157
26 HB2 GLN 6 1HB GLN 6 -10.142 4.615 -2.099
27 HB3 GLN 6 2HB GLN 6 -8.803 5.613 -2.629
28 HG2 GLN 6 1HG GLN 6 -9.627 4.871 -4.687
29 HG3 GLN 6 2HG GLN 6 -8.388 3.669 -4.383
30 HE21 GLN 6 2HE2 GLN 6 -8.949 1.607 -3.643
31 HE22 GLN 6 1HE2 GLN 6 -10.536 0.945 -3.847
32 H ILE 7 H ILE 7 -6.965 5.356 -0.221
33 HA ILE 7 HA ILE 7 -4.733 5.737 -2.018
34 HB ILE 7 HB ILE 7 -4.021 7.314 -0.151
35 HG12 ILE 7 1HG1 ILE 7 -5.897 6.010 1.346
36 HG13 ILE 7 2HG1 ILE 7 -5.224 7.585 1.718
37 HG21 ILE 7 1HG2 ILE 7 -6.671 7.838 -1.523
38 HG22 ILE 7 2HG2 ILE 7 -5.524 9.055 -0.911
39 HG23 ILE 7 3HG2 ILE 7 -5.067 8.007 -2.276
40 HD11 ILE 7 3HD1 ILE 7 -7.083 8.689 0.484
41 HD12 ILE 7 1HD1 ILE 7 -7.765 7.091 0.097
42 HD13 ILE 7 2HD1 ILE 7 -7.698 7.645 1.787
43 H SER 8 H SER 8 -5.613 3.899 0.868
44 HA SER 8 HA SER 8 -2.940 3.428 1.648
45 HB2 SER 8 1HB SER 8 -5.549 2.944 2.691
46 HB3 SER 8 2HB SER 8 -4.790 1.370 2.551
47 HG SER 8 HG SER 8 -4.357 3.278 4.426
48 H HIS 9 H HIS 9 -5.062 2.191 -0.814
49 HA HIS 9 HA HIS 9 -3.987 -0.424 -0.937
50 HB2 HIS 9 1HB HIS 9 -6.130 -0.203 -1.820
51 HB3 HIS 9 2HB HIS 9 -5.743 1.271 -2.688
52 HD1 HIS 9 HD1 HIS 9 -5.718 0.886 -5.145
53 HD2 HIS 9 HD2 HIS 9 -4.321 -2.455 -3.027
54 HE1 HIS 9 HE1 HIS 9 -5.123 -0.873 -6.896
55 H LYS 10 H LYS 10 -2.881 2.731 -1.889
56 HA LYS 10 HA LYS 10 -1.186 1.740 -3.996
57 HB2 LYS 10 1HB LYS 10 -1.602 4.449 -2.719
58 HB3 LYS 10 2HB LYS 10 -0.343 4.156 -3.901
59 HG2 LYS 10 1HG LYS 10 -3.240 3.399 -4.450
60 HG3 LYS 10 2HG LYS 10 -2.643 5.015 -4.770
61 HD2 LYS 10 1HD LYS 10 -0.709 3.251 -5.898
62 HD3 LYS 10 2HD LYS 10 -2.267 2.576 -6.331
63 HE2 LYS 10 1HE LYS 10 -2.767 5.212 -6.858
64 HE3 LYS 10 2HE LYS 10 -1.038 5.189 -7.140
65 HZ1 LYS 10 2HZ LYS 10 -1.806 2.978 -8.455
66 HZ3 LYS 10 1HZ LYS 10 -1.685 4.436 -9.169
67 H ARG 11 H ARG 11 -1.121 2.084 -0.525
68 HA ARG 11 HA ARG 11 1.650 2.390 -0.288
69 HB2 ARG 11 1HB ARG 11 -0.671 1.903 1.492
70 HB3 ARG 11 2HB ARG 11 0.792 1.130 2.068
71 HG2 ARG 11 1HG ARG 11 1.458 3.138 2.884
72 HG3 ARG 11 2HG ARG 11 1.641 3.696 1.234
73 HD2 ARG 11 1HD ARG 11 -0.972 4.130 1.360
74 HD3 ARG 11 2HD ARG 11 -0.729 4.056 3.094
75 HE ARG 11 HE ARG 11 0.424 6.105 3.015
76 HH11 ARG 11 2HH2 ARG 11 0.039 4.847 -0.275
77 HH12 ARG 11 1HH2 ARG 11 0.589 6.306 -1.030
78 HH22 ARG 11 1HH ARG 11 1.237 8.163 0.339
79 H HIS 12 H HIS 12 -0.217 -0.171 -1.459
80 HA HIS 12 HA HIS 12 1.006 -2.371 -0.228
81 HB2 HIS 12 1HB HIS 12 -0.502 -1.992 -2.817
82 HB3 HIS 12 2HB HIS 12 0.158 -3.548 -2.355
83 HD1 HIS 12 HD1 HIS 12 -1.956 -0.887 -0.546
84 HD2 HIS 12 HD2 HIS 12 -1.752 -5.037 -1.122
85 HE1 HIS 12 HE1 HIS 12 -3.919 -1.885 0.744
86 H LYS 13 H LYS 13 2.203 0.007 -2.400
87 HA LYS 13 HA LYS 13 4.010 -1.684 -3.816
88 HB2 LYS 13 1HB LYS 13 4.878 0.371 -4.733
89 HB3 LYS 13 2HB LYS 13 3.128 0.429 -4.736
90 HG2 LYS 13 1HG LYS 13 3.165 2.320 -3.489
91 HG3 LYS 13 2HG LYS 13 4.005 1.476 -2.203
92 HD2 LYS 13 1HD LYS 13 5.642 3.033 -2.668
93 HD3 LYS 13 2HD LYS 13 6.114 1.837 -3.857
94 HE2 LYS 13 1HE LYS 13 4.741 3.014 -5.589
95 HE3 LYS 13 2HE LYS 13 4.260 4.208 -4.399
96 HZ1 LYS 13 2HZ LYS 13 6.453 5.030 -4.274
97 HZ3 LYS 13 1HZ LYS 13 6.262 4.760 -5.869
98 H THR 14 H THR 14 3.902 -0.159 -0.666
99 HA THR 14 HA THR 14 6.744 -0.104 -0.297
100 HB THR 14 HB THR 14 4.278 0.253 1.469
101 HG1 THR 14 HG1 THR 14 5.406 2.436 1.432
102 HG21 THR 14 3HG2 THR 14 6.318 -0.678 2.772
103 HG22 THR 14 1HG2 THR 14 7.177 0.797 2.268
104 HG23 THR 14 2HG2 THR 14 5.725 0.918 3.290
105 H ASP 15 H ASP 15 4.221 -2.525 -0.080
106 HA ASP 15 HA ASP 15 5.584 -4.139 1.780
107 HB2 ASP 15 1HB ASP 15 3.251 -4.431 -0.100
108 HB3 ASP 15 2HB ASP 15 3.991 -5.912 0.476
109 HD2 ASP 15 HD2 ASP 15 2.174 -6.419 2.333
110 H SER 16 H SER 16 5.603 -3.628 -1.742
111 HA SER 16 HA SER 16 6.791 -6.070 -2.421
112 HB2 SER 16 1HB SER 16 7.022 -5.144 -4.612
113 HB3 SER 16 2HB SER 16 5.549 -4.451 -3.963
114 HG SER 16 HG SER 16 8.151 -3.183 -4.071
115 H PHE 17 H PHE 17 7.970 -3.028 -1.094
116 HA PHE 17 HA PHE 17 10.663 -3.358 -1.945
117 HB2 PHE 17 1HB PHE 17 8.967 -1.417 -0.730
118 HB3 PHE 17 2HB PHE 17 10.120 -1.805 0.532
119 HD1 PHE 17 HD2 PHE 17 10.101 -1.002 -3.119
120 HD2 PHE 17 HD1 PHE 17 12.059 -0.566 0.620
121 HE1 PHE 17 HE2 PHE 17 11.777 0.539 -4.176
122 HE2 PHE 17 HE1 PHE 17 13.734 0.975 -0.436
123 HZ PHE 17 HZ PHE 17 13.574 1.510 -2.822
124 H VAL 18 H VAL 18 8.674 -4.620 0.664
125 HA VAL 18 HA VAL 18 10.765 -5.089 2.506
126 HB VAL 18 HB VAL 18 8.106 -6.495 2.186
127 HG11 VAL 18 1HG1 VAL 18 8.350 -7.327 4.321
128 HG12 VAL 18 2HG1 VAL 18 10.040 -7.363 3.763
129 HG13 VAL 18 3HG1 VAL 18 9.479 -6.041 4.814
130 HG21 VAL 18 3HG2 VAL 18 7.027 -4.774 3.223
131 HG22 VAL 18 1HG2 VAL 18 8.464 -4.279 4.149
132 HG23 VAL 18 2HG2 VAL 18 8.314 -3.831 2.432
133 H GLY 19 H GLY 19 9.522 -6.760 -0.372
134 HA2 GLY 19 1HA GLY 19 10.935 -9.217 0.223
135 HA3 GLY 19 2HA GLY 19 10.000 -8.834 -1.208
136 H LEU 20 H LEU 20 11.926 -6.143 -0.730
137 HA LEU 20 HA LEU 20 13.794 -7.080 -2.745
138 HB2 LEU 20 1HB LEU 20 12.431 -4.673 -2.226
139 HB3 LEU 20 2HB LEU 20 14.125 -4.333 -1.934
140 HG LEU 20 HG LEU 20 14.649 -5.261 -4.206
141 HD11 LEU 20 1HD1 LEU 20 12.575 -6.652 -4.376
142 HD12 LEU 20 2HD1 LEU 20 11.657 -5.154 -4.662
143 HD13 LEU 20 3HD1 LEU 20 12.922 -5.658 -5.811
144 HD21 LEU 20 3HD2 LEU 20 14.697 -3.101 -4.700
145 HD22 LEU 20 1HD2 LEU 20 12.981 -3.194 -5.162
146 HD23 LEU 20 2HD2 LEU 20 13.432 -2.755 -3.497
147 H MET 21 H MET 21 13.573 -6.454 0.694
148 HA MET 21 HA MET 21 16.317 -5.953 1.073
149 HB2 MET 21 1HB MET 21 14.013 -5.740 2.592
150 HB3 MET 21 2HB MET 21 14.699 -7.200 3.277
151 HG2 MET 21 1HG MET 21 15.733 -5.578 4.610
152 HG3 MET 21 2HG MET 21 16.947 -5.784 3.363
153 HE1 MET 21 3HE MET 21 16.168 -3.216 5.396
154 HE2 MET 21 1HE MET 21 17.681 -3.357 4.469
155 HE3 MET 21 2HE MET 21 16.680 -1.893 4.321
Start of MODEL 19
1 H1 ASP 1 H ASP 1 -17.404 10.056 0.966
2 HA ASP 1 HA ASP 1 -15.039 9.588 -0.454
3 HB2 ASP 1 1HB ASP 1 -15.493 10.838 2.296
4 HB3 ASP 1 2HB ASP 1 -13.993 10.945 1.397
5 HD2 ASP 1 HD2 ASP 1 -14.791 12.181 -1.108
6 H ALA 2 H ALA 2 -16.543 7.295 1.078
7 HA ALA 2 HA ALA 2 -14.854 6.522 3.212
8 HB1 ALA 2 3HB ALA 2 -16.100 4.227 2.444
9 HB2 ALA 2 1HB ALA 2 -16.878 5.489 3.431
10 HB3 ALA 2 2HB ALA 2 -17.159 5.433 1.673
11 H GLY 3 H GLY 3 -14.323 6.727 -0.127
12 HA2 GLY 3 1HA GLY 3 -12.861 4.308 -0.545
13 HA3 GLY 3 2HA GLY 3 -12.889 5.734 -1.564
14 H HIS 4 H HIS 4 -12.237 6.877 1.522
15 HA HIS 4 HA HIS 4 -9.581 7.489 0.878
16 HB2 HIS 4 1HB HIS 4 -9.561 8.186 3.373
17 HB3 HIS 4 2HB HIS 4 -10.587 9.049 2.243
18 HD1 HIS 4 HD1 HIS 4 -12.377 9.766 3.921
19 HD2 HIS 4 HD2 HIS 4 -11.722 5.624 3.868
20 HE1 HIS 4 HE1 HIS 4 -14.240 8.730 5.322
21 H GLY 5 H GLY 5 -11.063 4.631 2.104
22 HA2 GLY 5 1HA GLY 5 -8.822 3.731 3.681
23 HA3 GLY 5 2HA GLY 5 -10.262 2.832 3.246
24 H GLN 6 H GLN 6 -9.652 3.867 0.294
25 HA GLN 6 HA GLN 6 -8.350 1.484 -0.448
26 HB2 GLN 6 1HB GLN 6 -9.377 3.921 -1.916
27 HB3 GLN 6 2HB GLN 6 -8.384 2.756 -2.770
28 HG2 GLN 6 1HG GLN 6 -10.978 2.134 -1.279
29 HG3 GLN 6 2HG GLN 6 -10.795 2.222 -3.020
30 HE21 GLN 6 2HE2 GLN 6 -11.058 0.172 -0.529
31 HE22 GLN 6 1HE2 GLN 6 -10.215 -1.222 -1.117
32 H ILE 7 H ILE 7 -7.302 4.708 0.410
33 HA ILE 7 HA ILE 7 -4.914 4.756 -1.088
34 HB ILE 7 HB ILE 7 -5.758 6.196 1.428
35 HG12 ILE 7 1HG1 ILE 7 -7.114 6.522 -0.698
36 HG13 ILE 7 2HG1 ILE 7 -6.464 7.966 0.054
37 HG21 ILE 7 1HG2 ILE 7 -3.250 6.011 1.045
38 HG22 ILE 7 2HG2 ILE 7 -3.504 6.997 -0.416
39 HG23 ILE 7 3HG2 ILE 7 -3.923 7.653 1.185
40 HD11 ILE 7 3HD1 ILE 7 -4.954 8.359 -1.656
41 HD12 ILE 7 1HD1 ILE 7 -4.728 6.626 -1.996
42 HD13 ILE 7 2HD1 ILE 7 -6.184 7.467 -2.584
43 H SER 8 H SER 8 -5.955 3.036 1.773
44 HA SER 8 HA SER 8 -3.429 2.745 2.934
45 HB2 SER 8 1HB SER 8 -6.125 1.902 3.448
46 HB3 SER 8 2HB SER 8 -5.122 0.465 3.488
47 HG SER 8 HG SER 8 -3.649 2.008 4.880
48 H HIS 9 H HIS 9 -4.986 1.341 0.140
49 HA HIS 9 HA HIS 9 -3.646 -1.132 0.140
50 HB2 HIS 9 1HB HIS 9 -5.729 -0.134 -1.219
51 HB3 HIS 9 2HB HIS 9 -4.485 0.155 -2.418
52 HD1 HIS 9 HD1 HIS 9 -5.615 -1.655 -3.966
53 HD2 HIS 9 HD2 HIS 9 -4.119 -3.126 -0.334
54 HE1 HIS 9 HE1 HIS 9 -5.560 -4.196 -4.192
55 H LYS 10 H LYS 10 -2.651 2.141 -0.495
56 HA LYS 10 HA LYS 10 -0.591 1.541 -2.343
57 HB2 LYS 10 1HB LYS 10 -1.832 3.807 -1.592
58 HB3 LYS 10 2HB LYS 10 -0.408 3.937 -0.581
59 HG2 LYS 10 1HG LYS 10 0.888 4.495 -2.358
60 HG3 LYS 10 2HG LYS 10 0.386 3.068 -3.242
61 HD2 LYS 10 1HD LYS 10 -1.766 4.304 -3.853
62 HD3 LYS 10 2HD LYS 10 -1.082 5.742 -3.124
63 HE2 LYS 10 1HE LYS 10 0.455 6.057 -4.833
64 HE3 LYS 10 2HE LYS 10 0.670 4.340 -5.107
65 HZ1 LYS 10 2HZ LYS 10 -0.624 5.666 -6.858
66 HZ3 LYS 10 1HZ LYS 10 -1.879 5.655 -5.821
67 H ARG 11 H ARG 11 -1.002 1.138 1.102
68 HA ARG 11 HA ARG 11 1.712 1.311 1.762
69 HB2 ARG 11 1HB ARG 11 -0.634 -0.086 3.142
70 HB3 ARG 11 2HB ARG 11 0.952 0.076 3.869
71 HG2 ARG 11 1HG ARG 11 -0.654 2.473 2.878
72 HG3 ARG 11 2HG ARG 11 -0.773 1.868 4.518
73 HD2 ARG 11 1HD ARG 11 1.453 2.474 5.053
74 HD3 ARG 11 2HD ARG 11 1.968 2.471 3.378
75 HE ARG 11 HE ARG 11 0.714 4.685 4.806
76 HH11 ARG 11 2HH2 ARG 11 1.210 3.274 1.594
77 HH12 ARG 11 1HH2 ARG 11 0.979 4.775 0.763
78 HH22 ARG 11 1HH ARG 11 0.509 6.758 2.025
79 H HIS 12 H HIS 12 -0.294 -1.109 0.224
80 HA HIS 12 HA HIS 12 1.175 -3.381 1.011
81 HB2 HIS 12 1HB HIS 12 -0.847 -2.759 -1.121
82 HB3 HIS 12 2HB HIS 12 0.029 -4.276 -1.181
83 HD1 HIS 12 HD1 HIS 12 -2.034 -2.312 1.396
84 HD2 HIS 12 HD2 HIS 12 -1.172 -6.257 0.262
85 HE1 HIS 12 HE1 HIS 12 -3.480 -3.812 2.869
86 H LYS 13 H LYS 13 1.712 -0.782 -1.272
87 HA LYS 13 HA LYS 13 3.418 -2.233 -3.013
88 HB2 LYS 13 1HB LYS 13 2.608 0.608 -2.609
89 HB3 LYS 13 2HB LYS 13 4.124 0.325 -3.440
90 HG2 LYS 13 1HG LYS 13 2.737 0.174 -5.277
91 HG3 LYS 13 2HG LYS 13 2.622 -1.497 -4.762
92 HD2 LYS 13 1HD LYS 13 0.466 -1.242 -3.909
93 HD3 LYS 13 2HD LYS 13 0.706 0.442 -3.493
94 HE2 LYS 13 1HE LYS 13 -0.704 0.664 -5.343
95 HE3 LYS 13 2HE LYS 13 0.860 0.788 -6.124
96 HZ1 LYS 13 2HZ LYS 13 -0.798 -1.670 -5.947
97 HZ3 LYS 13 1HZ LYS 13 0.711 -1.648 -6.560
98 H THR 14 H THR 14 3.730 -0.810 0.171
99 HA THR 14 HA THR 14 6.574 -0.486 0.042
100 HB THR 14 HB THR 14 4.519 -0.512 2.313
101 HG1 THR 14 HG1 THR 14 4.285 1.320 0.979
102 HG21 THR 14 3HG2 THR 14 7.503 0.097 2.236
103 HG22 THR 14 1HG2 THR 14 6.432 0.929 3.388
104 HG23 THR 14 2HG2 THR 14 6.600 -0.841 3.449
105 H ASP 15 H ASP 15 4.362 -3.145 0.597
106 HA ASP 15 HA ASP 15 6.183 -4.665 2.114
107 HB2 ASP 15 1HB ASP 15 3.636 -5.243 0.573
108 HB3 ASP 15 2HB ASP 15 4.581 -6.577 1.204
109 HD2 ASP 15 HD2 ASP 15 2.211 -6.294 3.502
110 H SER 16 H SER 16 5.553 -4.026 -1.318
111 HA SER 16 HA SER 16 6.859 -6.342 -2.270
112 HB2 SER 16 1HB SER 16 5.236 -4.321 -3.356
113 HB3 SER 16 2HB SER 16 6.785 -4.063 -4.130
114 HG SER 16 HG SER 16 6.200 -5.661 -5.426
115 H PHE 17 H PHE 17 7.848 -3.211 -1.067
116 HA PHE 17 HA PHE 17 10.298 -3.069 -2.505
117 HB2 PHE 17 1HB PHE 17 8.655 -1.479 -0.805
118 HB3 PHE 17 2HB PHE 17 10.107 -1.731 0.143
119 HD1 PHE 17 HD1 PHE 17 9.247 -0.888 -3.400
120 HD2 PHE 17 HD2 PHE 17 11.713 -0.099 -0.038
121 HE1 PHE 17 HE1 PHE 17 10.395 0.945 -4.673
122 HE2 PHE 17 HE2 PHE 17 12.861 1.734 -1.311
123 HZ PHE 17 HZ PHE 17 12.189 2.234 -3.613
124 H VAL 18 H VAL 18 9.158 -4.759 0.355
125 HA VAL 18 HA VAL 18 11.643 -4.955 1.676
126 HB VAL 18 HB VAL 18 9.354 -6.910 1.825
127 HG11 VAL 18 1HG1 VAL 18 10.254 -7.614 3.775
128 HG12 VAL 18 2HG1 VAL 18 11.753 -6.913 3.119
129 HG13 VAL 18 3HG1 VAL 18 10.755 -5.976 4.258
130 HG21 VAL 18 3HG2 VAL 18 8.165 -4.919 2.028
131 HG22 VAL 18 1HG2 VAL 18 8.575 -5.298 3.717
132 HG23 VAL 18 2HG2 VAL 18 9.512 -4.073 2.828
133 H GLY 19 H GLY 19 10.102 -6.656 -1.030
134 HA2 GLY 19 1HA GLY 19 11.970 -8.867 -0.946
135 HA3 GLY 19 2HA GLY 19 10.711 -8.568 -2.127
136 H LEU 20 H LEU 20 12.245 -5.619 -1.805
137 HA LEU 20 HA LEU 20 13.783 -6.115 -4.215
138 HB2 LEU 20 1HB LEU 20 12.241 -3.968 -3.158
139 HB3 LEU 20 2HB LEU 20 13.889 -3.402 -3.343
140 HG LEU 20 HG LEU 20 13.813 -4.255 -5.729
141 HD11 LEU 20 1HD1 LEU 20 11.889 -4.995 -6.735
142 HD12 LEU 20 2HD1 LEU 20 11.696 -5.686 -5.105
143 HD13 LEU 20 3HD1 LEU 20 10.825 -4.198 -5.550
144 HD21 LEU 20 3HD2 LEU 20 12.638 -2.296 -6.566
145 HD22 LEU 20 1HD2 LEU 20 11.850 -2.068 -4.986
146 HD23 LEU 20 2HD2 LEU 20 13.613 -1.879 -5.136
147 H MET 21 H MET 21 14.176 -5.700 -0.758
148 HA MET 21 HA MET 21 16.817 -4.746 -0.864
149 HB2 MET 21 1HB MET 21 15.133 -6.168 1.260
150 HB3 MET 21 2HB MET 21 16.772 -5.645 1.591
151 HG2 MET 21 1HG MET 21 15.166 -3.506 0.344
152 HG3 MET 21 2HG MET 21 14.447 -4.077 1.836
153 HE1 MET 21 3HE MET 21 17.835 -1.910 0.573
154 HE2 MET 21 1HE MET 21 16.079 -1.692 0.378
155 HE3 MET 21 2HE MET 21 16.947 -0.826 1.668
Start of MODEL 20
1 H1 ASP 1 H ASP 1 -18.294 6.544 -0.872
2 HA ASP 1 HA ASP 1 -15.864 7.414 -1.558
3 HB2 ASP 1 1HB ASP 1 -17.131 7.562 1.218
4 HB3 ASP 1 2HB ASP 1 -15.828 8.597 0.669
5 HD2 ASP 1 HD2 ASP 1 -19.091 9.069 1.093
6 H ALA 2 H ALA 2 -16.096 4.382 -0.772
7 HA ALA 2 HA ALA 2 -14.438 4.017 1.492
8 HB1 ALA 2 3HB ALA 2 -14.344 1.770 -0.285
9 HB2 ALA 2 1HB ALA 2 -15.279 1.954 1.217
10 HB3 ALA 2 2HB ALA 2 -15.989 2.447 -0.338
11 H GLY 3 H GLY 3 -13.806 5.277 -1.588
12 HA2 GLY 3 1HA GLY 3 -11.278 4.055 -2.112
13 HA3 GLY 3 2HA GLY 3 -11.949 5.493 -2.857
14 H HIS 4 H HIS 4 -12.246 5.998 0.447
15 HA HIS 4 HA HIS 4 -9.960 7.747 0.413
16 HB2 HIS 4 1HB HIS 4 -12.510 7.576 1.801
17 HB3 HIS 4 2HB HIS 4 -11.198 7.864 2.929
18 HD1 HIS 4 HD1 HIS 4 -9.494 9.946 2.045
19 HD2 HIS 4 HD2 HIS 4 -13.463 9.876 0.692
20 HE1 HIS 4 HE1 HIS 4 -10.016 12.310 1.240
21 H GLY 5 H GLY 5 -10.813 4.549 1.507
22 HA2 GLY 5 1HA GLY 5 -8.822 4.461 3.612
23 HA3 GLY 5 2HA GLY 5 -9.857 3.161 3.056
24 H GLN 6 H GLN 6 -8.948 4.077 0.144
25 HA GLN 6 HA GLN 6 -7.068 2.060 -0.142
26 HB2 GLN 6 1HB GLN 6 -8.406 4.052 -1.839
27 HB3 GLN 6 2HB GLN 6 -6.761 3.755 -2.366
28 HG2 GLN 6 1HG GLN 6 -7.287 1.688 -3.157
29 HG3 GLN 6 2HG GLN 6 -8.083 1.238 -1.662
30 HE21 GLN 6 2HE2 GLN 6 -10.270 1.658 -1.355
31 HE22 GLN 6 1HE2 GLN 6 -11.358 1.982 -2.663
32 H ILE 7 H ILE 7 -6.788 5.416 0.817
33 HA ILE 7 HA ILE 7 -4.147 5.868 -0.033
34 HB ILE 7 HB ILE 7 -4.279 7.842 1.130
35 HG12 ILE 7 1HG1 ILE 7 -6.264 7.845 3.030
36 HG13 ILE 7 2HG1 ILE 7 -5.624 6.221 3.192
37 HG21 ILE 7 1HG2 ILE 7 -7.194 7.738 1.149
38 HG22 ILE 7 2HG2 ILE 7 -6.084 8.707 0.152
39 HG23 ILE 7 3HG2 ILE 7 -6.491 7.043 -0.331
40 HD11 ILE 7 3HD1 ILE 7 -3.714 8.563 2.999
41 HD12 ILE 7 1HD1 ILE 7 -4.508 8.182 4.546
42 HD13 ILE 7 2HD1 ILE 7 -3.463 6.973 3.760
43 H SER 8 H SER 8 -5.556 3.936 2.519
44 HA SER 8 HA SER 8 -3.150 3.963 4.068
45 HB2 SER 8 1HB SER 8 -5.717 3.613 4.784
46 HB3 SER 8 2HB SER 8 -5.332 1.929 4.488
47 HG SER 8 HG SER 8 -4.756 2.166 6.597
48 H HIS 9 H HIS 9 -4.552 2.197 1.392
49 HA HIS 9 HA HIS 9 -3.104 -0.213 1.863
50 HB2 HIS 9 1HB HIS 9 -5.029 0.833 -0.112
51 HB3 HIS 9 2HB HIS 9 -3.845 -0.271 -0.780
52 HD1 HIS 9 HD1 HIS 9 -6.291 -0.175 2.175
53 HD2 HIS 9 HD2 HIS 9 -4.516 -2.903 -0.471
54 HE1 HIS 9 HE1 HIS 9 -7.339 -2.446 2.680
55 H LYS 10 H LYS 10 -2.426 2.930 0.520
56 HA LYS 10 HA LYS 10 -0.447 2.160 -1.328
57 HB2 LYS 10 1HB LYS 10 -0.097 4.417 -1.627
58 HB3 LYS 10 2HB LYS 10 -1.748 4.398 -1.040
59 HG2 LYS 10 1HG LYS 10 -0.765 6.068 0.300
60 HG3 LYS 10 2HG LYS 10 -0.687 4.664 1.345
61 HD2 LYS 10 1HD LYS 10 1.606 4.548 1.249
62 HD3 LYS 10 2HD LYS 10 1.659 4.938 -0.459
63 HE2 LYS 10 1HE LYS 10 0.889 7.359 0.403
64 HE3 LYS 10 2HE LYS 10 1.588 6.809 1.913
65 HZ1 LYS 10 2HZ LYS 10 2.954 7.180 -0.675
66 HZ3 LYS 10 1HZ LYS 10 3.600 6.181 0.438
67 H ARG 11 H ARG 11 -0.602 1.906 2.068
68 HA ARG 11 HA ARG 11 2.181 2.398 2.469
69 HB2 ARG 11 1HB ARG 11 -0.208 1.961 4.132
70 HB3 ARG 11 2HB ARG 11 1.150 1.028 4.728
71 HG2 ARG 11 1HG ARG 11 2.491 2.955 5.090
72 HG3 ARG 11 2HG ARG 11 1.553 3.938 3.983
73 HD2 ARG 11 1HD ARG 11 -0.434 3.504 5.687
74 HD3 ARG 11 2HD ARG 11 0.848 3.082 6.807
75 HE ARG 11 HE ARG 11 1.324 5.351 7.012
76 HH11 ARG 11 2HH2 ARG 11 -0.237 4.839 3.872
77 HH12 ARG 11 1HH2 ARG 11 -0.260 6.523 3.470
78 HH22 ARG 11 1HH ARG 11 0.644 8.113 5.019
79 H HIS 12 H HIS 12 0.028 -0.277 1.688
80 HA HIS 12 HA HIS 12 1.725 -2.334 2.649
81 HB2 HIS 12 1HB HIS 12 0.190 -3.831 1.648
82 HB3 HIS 12 2HB HIS 12 -0.751 -2.508 2.310
83 HD1 HIS 12 HD1 HIS 12 -2.702 -2.231 0.770
84 HD2 HIS 12 HD2 HIS 12 0.902 -2.730 -1.319
85 HE1 HIS 12 HE1 HIS 12 -3.263 -1.948 -1.703
86 H LYS 13 H LYS 13 1.565 -0.324 -0.239
87 HA LYS 13 HA LYS 13 2.862 -2.009 -2.030
88 HB2 LYS 13 1HB LYS 13 2.914 1.019 -1.859
89 HB3 LYS 13 2HB LYS 13 3.377 0.066 -3.254
90 HG2 LYS 13 1HG LYS 13 0.730 -0.732 -2.260
91 HG3 LYS 13 2HG LYS 13 0.779 0.983 -2.621
92 HD2 LYS 13 1HD LYS 13 1.662 -1.225 -4.540
93 HD3 LYS 13 2HD LYS 13 0.112 -0.409 -4.603
94 HE2 LYS 13 1HE LYS 13 1.448 1.806 -4.792
95 HE3 LYS 13 2HE LYS 13 2.867 0.814 -5.062
96 HZ1 LYS 13 2HZ LYS 13 0.408 0.778 -6.729
97 HZ3 LYS 13 1HZ LYS 13 1.677 -0.217 -6.958
98 H THR 14 H THR 14 3.986 -0.357 0.837
99 HA THR 14 HA THR 14 6.741 -0.283 0.050
100 HB THR 14 HB THR 14 5.292 1.111 1.836
101 HG1 THR 14 HG1 THR 14 7.515 1.265 2.948
102 HG21 THR 14 3HG2 THR 14 5.034 -1.151 3.204
103 HG22 THR 14 1HG2 THR 14 6.728 -0.849 3.658
104 HG23 THR 14 2HG2 THR 14 5.469 0.341 4.071
105 H ASP 15 H ASP 15 4.552 -2.683 1.383
106 HA ASP 15 HA ASP 15 6.588 -4.226 2.566
107 HB2 ASP 15 1HB ASP 15 3.710 -4.727 1.738
108 HB3 ASP 15 2HB ASP 15 4.700 -6.056 2.307
109 HD2 ASP 15 HD2 ASP 15 2.981 -6.003 4.096
110 H SER 16 H SER 16 5.164 -3.829 -0.659
111 HA SER 16 HA SER 16 6.035 -6.328 -1.649
112 HB2 SER 16 1HB SER 16 4.224 -4.473 -2.496
113 HB3 SER 16 2HB SER 16 5.570 -4.049 -3.534
114 HG SER 16 HG SER 16 3.940 -6.343 -3.546
115 H PHE 17 H PHE 17 7.498 -3.207 -1.058
116 HA PHE 17 HA PHE 17 9.514 -3.408 -3.055
117 HB2 PHE 17 1HB PHE 17 8.456 -1.537 -1.182
118 HB3 PHE 17 2HB PHE 17 10.081 -1.837 -0.594
119 HD1 PHE 17 HD2 PHE 17 12.032 -1.357 -2.075
120 HD2 PHE 17 HD1 PHE 17 8.079 -0.246 -3.146
121 HE1 PHE 17 HE2 PHE 17 12.943 0.251 -3.773
122 HE2 PHE 17 HE1 PHE 17 8.990 1.362 -4.843
123 HZ PHE 17 HZ PHE 17 11.412 1.591 -5.136
124 H VAL 18 H VAL 18 9.018 -4.736 0.159
125 HA VAL 18 HA VAL 18 11.746 -5.050 0.832
126 HB VAL 18 HB VAL 18 9.329 -6.611 1.763
127 HG11 VAL 18 1HG1 VAL 18 12.172 -6.492 2.590
128 HG12 VAL 18 2HG1 VAL 18 10.984 -6.404 3.914
129 HG13 VAL 18 3HG1 VAL 18 10.967 -7.787 2.793
130 HG21 VAL 18 3HG2 VAL 18 9.266 -4.949 3.634
131 HG22 VAL 18 1HG2 VAL 18 10.463 -3.973 2.748
132 HG23 VAL 18 2HG2 VAL 18 8.854 -4.264 2.043
133 H GLY 19 H GLY 19 9.416 -6.839 -1.164
134 HA2 GLY 19 1HA GLY 19 11.080 -9.206 -1.302
135 HA3 GLY 19 2HA GLY 19 9.570 -8.902 -2.139
136 H LEU 20 H LEU 20 11.347 -6.103 -2.582
137 HA LEU 20 HA LEU 20 12.125 -6.978 -5.238
138 HB2 LEU 20 1HB LEU 20 11.469 -4.413 -3.912
139 HB3 LEU 20 2HB LEU 20 12.678 -4.341 -5.177
140 HG LEU 20 HG LEU 20 10.295 -5.883 -5.937
141 HD11 LEU 20 1HD1 LEU 20 8.930 -4.450 -4.753
142 HD12 LEU 20 2HD1 LEU 20 10.023 -3.060 -4.958
143 HD13 LEU 20 3HD1 LEU 20 9.039 -3.628 -6.328
144 HD21 LEU 20 3HD2 LEU 20 10.619 -3.835 -7.740
145 HD22 LEU 20 1HD2 LEU 20 12.272 -4.070 -7.121
146 HD23 LEU 20 2HD2 LEU 20 11.387 -5.438 -7.836
147 H MET 21 H MET 21 13.480 -6.297 -2.080
148 HA MET 21 HA MET 21 16.050 -5.619 -2.980
149 HB2 MET 21 1HB MET 21 14.704 -6.406 -0.401
150 HB3 MET 21 2HB MET 21 16.442 -6.630 -0.448
151 HG2 MET 21 1HG MET 21 16.853 -4.301 -0.852
152 HG3 MET 21 2HG MET 21 15.197 -4.001 -1.339
153 HE1 MET 21 3HE MET 21 17.629 -3.359 0.885
154 HE2 MET 21 1HE MET 21 16.925 -3.072 2.494
155 HE3 MET 21 2HE MET 21 17.485 -4.701 2.046