Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
565257 | 2lwt RC | 18644 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -8.950 3.066 2.764
2 HA2 GLY 1 2HA GLY 1 -11.223 2.774 2.618
3 HA3 GLY 1 3HA GLY 1 -11.202 4.180 1.563
4 H ARG 2 H ARG 2 -11.994 3.863 -0.401
5 HA ARG 2 HA ARG 2 -12.266 1.123 -1.385
6 HB2 ARG 2 1HB ARG 2 -13.619 3.730 -1.993
7 HB3 ARG 2 2HB ARG 2 -13.664 2.421 -3.185
8 HG2 ARG 2 1HG ARG 2 -14.694 0.932 -1.542
9 HG3 ARG 2 2HG ARG 2 -14.644 2.237 -0.343
10 HD2 ARG 2 1HD ARG 2 -16.295 3.473 -1.400
11 HD3 ARG 2 2HD ARG 2 -15.985 2.714 -2.967
12 HE ARG 2 HE ARG 2 -16.940 0.772 -1.167
13 HH11 ARG 2 1HH1 ARG 2 -18.014 3.565 -2.950
14 HH12 ARG 2 2HH1 ARG 2 -19.656 3.022 -3.064
15 HH21 ARG 2 1HH2 ARG 2 -19.098 0.047 -1.311
16 HH22 ARG 2 2HH2 ARG 2 -20.271 1.022 -2.132
17 H TYR 3 H TYR 3 -9.687 1.857 -1.505
18 HA TYR 3 HA TYR 3 -9.150 1.766 -4.322
19 HB2 TYR 3 1HB TYR 3 -9.361 4.154 -4.159
20 HB3 TYR 3 2HB TYR 3 -8.337 4.197 -2.722
21 HD1 TYR 3 2HD TYR 3 -8.050 2.824 -6.194
22 HD2 TYR 3 1HD TYR 3 -6.227 5.045 -3.056
23 HE1 TYR 3 2HE TYR 3 -6.061 3.164 -7.599
24 HE2 TYR 3 1HE TYR 3 -4.232 5.392 -4.453
25 HH TYR 3 HH TYR 3 -3.151 4.084 -6.475
26 H ARG 4 H ARG 4 -7.051 1.069 -4.797
27 HA ARG 4 HA ARG 4 -5.604 0.004 -2.477
28 HB2 ARG 4 1HB ARG 4 -6.432 -1.525 -4.328
29 HB3 ARG 4 2HB ARG 4 -5.215 -0.770 -5.367
30 HG2 ARG 4 1HG ARG 4 -3.424 -1.568 -3.996
31 HG3 ARG 4 2HG ARG 4 -4.569 -2.154 -2.775
32 HD2 ARG 4 1HD ARG 4 -5.219 -3.263 -5.357
33 HD3 ARG 4 2HD ARG 4 -3.523 -3.568 -4.958
34 HE ARG 4 HE ARG 4 -5.078 -4.183 -2.714
35 HH11 ARG 4 1HH1 ARG 4 -4.517 -5.329 -5.952
36 HH12 ARG 4 2HH1 ARG 4 -4.901 -6.976 -5.575
37 HH21 ARG 4 1HH2 ARG 4 -5.585 -6.346 -2.206
38 HH22 ARG 4 2HH2 ARG 4 -5.510 -7.554 -3.445
39 H ARG 5 H ARG 5 -3.734 0.872 -1.886
40 HA ARG 5 HA ARG 5 -2.280 2.527 -3.845
41 HB2 ARG 5 1HB ARG 5 -2.135 2.871 -0.853
42 HB3 ARG 5 2HB ARG 5 -1.622 4.001 -2.114
43 HG2 ARG 5 1HG ARG 5 -4.346 3.593 -2.581
44 HG3 ARG 5 2HG ARG 5 -4.178 3.743 -0.823
45 HD2 ARG 5 1HD ARG 5 -2.834 5.687 -2.687
46 HD3 ARG 5 2HD ARG 5 -4.526 5.885 -2.210
47 HE ARG 5 HE ARG 5 -3.296 5.603 0.164
48 HH11 ARG 5 1HH1 ARG 5 -2.641 7.619 -2.595
49 HH12 ARG 5 2HH1 ARG 5 -1.946 8.902 -1.660
50 HH21 ARG 5 1HH2 ARG 5 -2.383 7.284 1.409
51 HH22 ARG 5 2HH2 ARG 5 -1.798 8.709 0.619
52 H CYS 6 H CYS 6 0.048 2.596 -3.614
53 HA CYS 6 HA CYS 6 1.233 0.368 -2.125
54 HB2 CYS 6 1HB CYS 6 1.409 0.839 -5.092
55 HB3 CYS 6 2HB CYS 6 2.677 -0.048 -4.228
56 H ILE 7 H ILE 7 2.799 1.176 -0.913
57 HA ILE 7 HA ILE 7 4.285 3.520 -1.897
58 HB ILE 7 HB ILE 7 4.849 3.935 0.502
59 HG12 ILE 7 1HG1 ILE 7 2.554 2.222 1.317
60 HG13 ILE 7 2HG1 ILE 7 4.094 1.414 0.982
61 HG21 ILE 7 1HG2 ILE 7 1.905 3.908 -0.146
62 HG22 ILE 7 2HG2 ILE 7 2.695 4.914 1.066
63 HG23 ILE 7 3HG2 ILE 7 3.055 5.149 -0.644
64 HD11 ILE 7 3HD1 ILE 7 3.327 3.130 3.231
65 HD12 ILE 7 1HD1 ILE 7 4.497 1.812 3.147
66 HD13 ILE 7 2HD1 ILE 7 4.937 3.422 2.574
67 HA PRO 8 HA PRO 8 8.037 1.240 -1.946
68 HB2 PRO 8 1HB PRO 8 9.844 3.183 -1.265
69 HB3 PRO 8 2HB PRO 8 9.025 3.117 -2.826
70 HG2 PRO 8 1HG PRO 8 8.349 4.731 -0.389
71 HG3 PRO 8 2HG PRO 8 8.407 5.244 -2.117
72 HD2 PRO 8 1HD PRO 8 6.083 4.684 -0.831
73 HD3 PRO 8 2HD PRO 8 6.328 4.351 -2.554
74 H GLY 9 H GLY 9 8.762 -0.212 -0.529
75 HA2 GLY 9 2HA GLY 9 8.853 0.531 2.320
76 HA3 GLY 9 3HA GLY 9 8.694 -1.109 1.704
77 H MET 10 H MET 10 10.481 -1.286 3.394
78 HA MET 10 HA MET 10 13.093 -0.538 2.292
79 HB2 MET 10 1HB MET 10 12.246 -0.167 4.776
80 HB3 MET 10 2HB MET 10 12.805 -1.836 4.962
81 HG2 MET 10 1HG MET 10 14.928 -1.203 5.081
82 HG3 MET 10 2HG MET 10 14.782 -0.279 3.583
83 HE1 MET 10 3HE MET 10 13.813 2.090 3.425
84 HE2 MET 10 1HE MET 10 14.430 3.292 4.561
85 HE3 MET 10 2HE MET 10 15.550 2.227 3.711
86 H PHE 11 H PHE 11 11.043 -3.251 2.927
87 HA PHE 11 HA PHE 11 13.202 -5.069 2.081
88 HB2 PHE 11 1HB PHE 11 10.746 -5.835 3.673
89 HB3 PHE 11 2HB PHE 11 12.163 -6.833 3.341
90 HD1 PHE 11 2HD PHE 11 14.414 -5.159 3.953
91 HD2 PHE 11 1HD PHE 11 10.667 -5.457 5.950
92 HE1 PHE 11 2HE PHE 11 15.470 -4.396 6.039
93 HE2 PHE 11 1HE PHE 11 11.718 -4.693 8.041
94 HZ PHE 11 HZ PHE 11 14.122 -4.162 8.088
95 H ARG 12 H ARG 12 9.772 -4.292 1.794
96 HA ARG 12 HA ARG 12 9.754 -5.274 -0.921
97 HB2 ARG 12 1HB ARG 12 7.608 -6.634 -0.370
98 HB3 ARG 12 2HB ARG 12 9.193 -7.353 -0.054
99 HG2 ARG 12 1HG ARG 12 9.003 -7.121 2.247
100 HG3 ARG 12 2HG ARG 12 7.753 -5.872 2.104
101 HD2 ARG 12 1HD ARG 12 6.941 -8.379 0.866
102 HD3 ARG 12 2HD ARG 12 7.337 -8.567 2.580
103 HE ARG 12 HE ARG 12 5.693 -6.313 2.267
104 HH11 ARG 12 1HH1 ARG 12 5.558 -9.785 2.048
105 HH12 ARG 12 2HH1 ARG 12 3.878 -9.876 2.458
106 HH21 ARG 12 1HH2 ARG 12 3.479 -6.420 2.809
107 HH22 ARG 12 2HH2 ARG 12 2.697 -7.962 2.890
108 H ALA 13 H ALA 13 7.555 -4.910 -1.937
109 HA ALA 13 HA ALA 13 6.769 -2.242 -1.553
110 HB1 ALA 13 1HB ALA 13 5.711 -4.526 -3.151
111 HB2 ALA 13 2HB ALA 13 4.741 -3.062 -2.991
112 HB3 ALA 13 3HB ALA 13 6.357 -2.976 -3.689
113 H TYR 14 H TYR 14 5.356 -1.318 -0.214
114 HA TYR 14 HA TYR 14 3.628 -3.073 1.397
115 HB2 TYR 14 1HB TYR 14 5.437 -1.504 2.434
116 HB3 TYR 14 2HB TYR 14 4.262 -0.227 2.114
117 HD1 TYR 14 1HD TYR 14 1.797 -0.756 2.957
118 HD2 TYR 14 2HD TYR 14 5.334 -2.541 4.507
119 HE1 TYR 14 1HE TYR 14 0.608 -1.287 5.045
120 HE2 TYR 14 2HE TYR 14 4.155 -3.078 6.597
121 HH TYR 14 HH TYR 14 2.135 -2.154 7.861
122 H CYS 15 H CYS 15 1.751 -3.197 0.280
123 HA CYS 15 HA CYS 15 0.508 -0.703 -0.645
124 HB2 CYS 15 1HB CYS 15 -0.240 -3.569 -1.254
125 HB3 CYS 15 2HB CYS 15 -0.961 -2.128 -1.989
126 H TYR 16 H TYR 16 -1.779 -0.382 -0.261
127 HA TYR 16 HA TYR 16 -3.037 -1.922 1.844
128 HB2 TYR 16 1HB TYR 16 -3.442 0.088 3.264
129 HB3 TYR 16 2HB TYR 16 -1.747 -0.408 3.200
130 HD1 TYR 16 1HD TYR 16 -0.122 0.874 1.807
131 HD2 TYR 16 2HD TYR 16 -4.093 2.247 2.478
132 HE1 TYR 16 1HE TYR 16 0.546 3.134 1.099
133 HE2 TYR 16 2HE TYR 16 -3.438 4.510 1.772
134 HH TYR 16 HH TYR 16 -0.707 5.711 1.758
135 H MET 17 H MET 17 -5.222 -0.803 2.428
136 HA MET 17 HA MET 17 -6.450 0.015 -0.116
137 HB2 MET 17 1HB MET 17 -7.410 -1.575 2.227
138 HB3 MET 17 2HB MET 17 -8.593 -0.650 1.288
139 HG2 MET 17 1HG MET 17 -6.680 -2.623 0.044
140 HG3 MET 17 2HG MET 17 -8.294 -3.051 0.617
141 HE1 MET 17 3HE MET 17 -9.528 -3.716 -1.921
142 HE2 MET 17 1HE MET 17 -10.213 -2.969 -0.479
143 HE3 MET 17 2HE MET 17 -10.578 -2.306 -2.072
144 H ASP 18 H ASP 18 -6.204 2.218 -0.050
145 HA ASP 18 HA ASP 18 -6.782 3.768 2.286
146 HB2 ASP 18 1HB ASP 18 -5.161 4.589 0.687
147 HB3 ASP 18 2HB ASP 18 -6.374 4.569 -0.601
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -8.950 3.061 2.767
2 HA2 GLY 1 2HA GLY 1 -11.222 2.770 2.623
3 HA3 GLY 1 3HA GLY 1 -11.204 4.177 1.569
4 H ARG 2 H ARG 2 -11.997 3.862 -0.394
5 HA ARG 2 HA ARG 2 -12.268 1.125 -1.383
6 HB2 ARG 2 1HB ARG 2 -13.621 3.733 -1.988
7 HB3 ARG 2 2HB ARG 2 -13.666 2.424 -3.180
8 HG2 ARG 2 1HG ARG 2 -14.438 1.021 -1.054
9 HG3 ARG 2 2HG ARG 2 -14.985 2.625 -0.539
10 HD2 ARG 2 1HD ARG 2 -16.089 2.815 -2.840
11 HD3 ARG 2 2HD ARG 2 -15.793 1.076 -2.983
12 HE ARG 2 HE ARG 2 -17.506 0.696 -1.510
13 HH11 ARG 2 1HH1 ARG 2 -16.578 4.048 -1.347
14 HH12 ARG 2 2HH1 ARG 2 -17.907 4.500 -0.332
15 HH21 ARG 2 1HH2 ARG 2 -19.258 1.280 -0.172
16 HH22 ARG 2 2HH2 ARG 2 -19.430 2.925 0.337
17 H TYR 3 H TYR 3 -9.690 1.860 -1.504
18 HA TYR 3 HA TYR 3 -9.154 1.774 -4.320
19 HB2 TYR 3 1HB TYR 3 -9.363 4.160 -4.153
20 HB3 TYR 3 2HB TYR 3 -8.342 4.202 -2.716
21 HD1 TYR 3 2HD TYR 3 -8.052 2.836 -6.192
22 HD2 TYR 3 1HD TYR 3 -6.231 5.048 -3.045
23 HE1 TYR 3 2HE TYR 3 -6.061 3.179 -7.594
24 HE2 TYR 3 1HE TYR 3 -4.234 5.399 -4.440
25 HH TYR 3 HH TYR 3 -3.153 4.678 -6.322
26 H ARG 4 H ARG 4 -7.056 1.078 -4.796
27 HA ARG 4 HA ARG 4 -5.607 0.006 -2.479
28 HB2 ARG 4 1HB ARG 4 -6.440 -1.508 -4.351
29 HB3 ARG 4 2HB ARG 4 -5.198 -0.760 -5.367
30 HG2 ARG 4 1HG ARG 4 -3.628 -2.096 -4.552
31 HG3 ARG 4 2HG ARG 4 -4.036 -1.626 -2.894
32 HD2 ARG 4 1HD ARG 4 -5.909 -3.266 -2.929
33 HD3 ARG 4 2HD ARG 4 -5.363 -3.782 -4.531
34 HE ARG 4 HE ARG 4 -3.240 -3.927 -2.656
35 HH11 ARG 4 1HH1 ARG 4 -6.161 -5.539 -3.648
36 HH12 ARG 4 2HH1 ARG 4 -5.643 -7.098 -3.097
37 HH21 ARG 4 1HH2 ARG 4 -2.546 -5.973 -1.927
38 HH22 ARG 4 2HH2 ARG 4 -3.586 -7.343 -2.117
39 H ARG 5 H ARG 5 -3.735 0.871 -1.888
40 HA ARG 5 HA ARG 5 -2.282 2.532 -3.842
41 HB2 ARG 5 1HB ARG 5 -2.134 2.869 -0.848
42 HB3 ARG 5 2HB ARG 5 -1.623 4.004 -2.107
43 HG2 ARG 5 1HG ARG 5 -4.347 3.596 -2.573
44 HG3 ARG 5 2HG ARG 5 -4.180 3.733 -0.815
45 HD2 ARG 5 1HD ARG 5 -2.768 5.692 -2.591
46 HD3 ARG 5 2HD ARG 5 -4.501 5.874 -2.284
47 HE ARG 5 HE ARG 5 -3.507 5.610 0.202
48 HH11 ARG 5 1HH1 ARG 5 -2.609 7.629 -2.489
49 HH12 ARG 5 2HH1 ARG 5 -2.024 8.920 -1.491
50 HH21 ARG 5 1HH2 ARG 5 -2.739 7.302 1.524
51 HH22 ARG 5 2HH2 ARG 5 -2.097 8.732 0.791
52 H CYS 6 H CYS 6 0.046 2.600 -3.615
53 HA CYS 6 HA CYS 6 1.231 0.371 -2.133
54 HB2 CYS 6 1HB CYS 6 1.403 0.843 -5.098
55 HB3 CYS 6 2HB CYS 6 2.673 -0.041 -4.238
56 H ILE 7 H ILE 7 2.799 1.174 -0.919
57 HA ILE 7 HA ILE 7 4.285 3.519 -1.902
58 HB ILE 7 HB ILE 7 4.847 3.935 0.496
59 HG12 ILE 7 1HG1 ILE 7 2.559 2.205 1.305
60 HG13 ILE 7 2HG1 ILE 7 4.113 1.417 0.987
61 HG21 ILE 7 1HG2 ILE 7 2.683 4.902 1.066
62 HG22 ILE 7 2HG2 ILE 7 3.059 5.154 -0.638
63 HG23 ILE 7 3HG2 ILE 7 1.906 3.906 -0.166
64 HD11 ILE 7 3HD1 ILE 7 3.268 2.930 3.285
65 HD12 ILE 7 1HD1 ILE 7 4.676 1.890 3.073
66 HD13 ILE 7 2HD1 ILE 7 4.753 3.586 2.595
67 HA PRO 8 HA PRO 8 8.035 1.233 -1.949
68 HB2 PRO 8 1HB PRO 8 9.844 3.176 -1.272
69 HB3 PRO 8 2HB PRO 8 9.025 3.110 -2.831
70 HG2 PRO 8 1HG PRO 8 8.351 4.725 -0.397
71 HG3 PRO 8 2HG PRO 8 8.409 5.238 -2.123
72 HD2 PRO 8 1HD PRO 8 6.084 4.682 -0.837
73 HD3 PRO 8 2HD PRO 8 6.329 4.346 -2.559
74 H GLY 9 H GLY 9 8.760 -0.218 -0.529
75 HA2 GLY 9 2HA GLY 9 8.848 0.526 2.319
76 HA3 GLY 9 3HA GLY 9 8.692 -1.113 1.704
77 H MET 10 H MET 10 10.477 -1.287 3.396
78 HA MET 10 HA MET 10 13.089 -0.531 2.296
79 HB2 MET 10 1HB MET 10 12.239 -0.162 4.782
80 HB3 MET 10 2HB MET 10 12.802 -1.828 4.967
81 HG2 MET 10 1HG MET 10 14.844 -1.045 5.313
82 HG3 MET 10 2HG MET 10 14.863 -0.528 3.626
83 HE1 MET 10 3HE MET 10 16.386 1.131 6.424
84 HE2 MET 10 1HE MET 10 15.092 1.984 7.267
85 HE3 MET 10 2HE MET 10 15.040 0.228 7.122
86 H PHE 11 H PHE 11 11.045 -3.249 2.932
87 HA PHE 11 HA PHE 11 13.210 -5.063 2.088
88 HB2 PHE 11 1HB PHE 11 10.754 -5.832 3.679
89 HB3 PHE 11 2HB PHE 11 12.174 -6.829 3.350
90 HD1 PHE 11 1HD PHE 11 10.861 -4.065 5.353
91 HD2 PHE 11 2HD PHE 11 14.235 -6.536 4.563
92 HE1 PHE 11 1HE PHE 11 11.909 -3.295 7.441
93 HE2 PHE 11 2HE PHE 11 15.289 -5.771 6.651
94 HZ PHE 11 HZ PHE 11 14.125 -4.151 8.094
95 H ARG 12 H ARG 12 9.778 -4.290 1.797
96 HA ARG 12 HA ARG 12 9.763 -5.276 -0.917
97 HB2 ARG 12 1HB ARG 12 7.622 -6.639 -0.367
98 HB3 ARG 12 2HB ARG 12 9.209 -7.357 -0.049
99 HG2 ARG 12 1HG ARG 12 9.039 -6.840 2.304
100 HG3 ARG 12 2HG ARG 12 7.511 -5.987 2.024
101 HD2 ARG 12 1HD ARG 12 7.582 -8.759 1.019
102 HD3 ARG 12 2HD ARG 12 7.711 -8.587 2.778
103 HE ARG 12 HE ARG 12 5.607 -6.970 1.911
104 HH11 ARG 12 1HH1 ARG 12 6.433 -10.347 2.102
105 HH12 ARG 12 2HH1 ARG 12 4.791 -10.875 2.255
106 HH21 ARG 12 1HH2 ARG 12 3.440 -7.653 2.114
107 HH22 ARG 12 2HH2 ARG 12 3.088 -9.340 2.260
108 H ALA 13 H ALA 13 7.565 -4.918 -1.936
109 HA ALA 13 HA ALA 13 6.773 -2.252 -1.556
110 HB1 ALA 13 1HB ALA 13 5.436 -4.514 -3.029
111 HB2 ALA 13 2HB ALA 13 4.891 -2.837 -3.093
112 HB3 ALA 13 3HB ALA 13 6.492 -3.269 -3.697
113 H TYR 14 H TYR 14 5.348 -1.323 -0.231
114 HA TYR 14 HA TYR 14 3.627 -3.076 1.389
115 HB2 TYR 14 1HB TYR 14 5.440 -1.515 2.425
116 HB3 TYR 14 2HB TYR 14 4.270 -0.231 2.106
117 HD1 TYR 14 2HD TYR 14 1.799 -0.766 2.945
118 HD2 TYR 14 1HD TYR 14 5.339 -2.539 4.505
119 HE1 TYR 14 2HE TYR 14 0.608 -1.290 5.032
120 HE2 TYR 14 1HE TYR 14 4.156 -3.069 6.597
121 HH TYR 14 HH TYR 14 2.284 -2.707 7.798
122 H CYS 15 H CYS 15 1.748 -3.197 0.274
123 HA CYS 15 HA CYS 15 0.509 -0.700 -0.647
124 HB2 CYS 15 1HB CYS 15 -0.242 -3.563 -1.262
125 HB3 CYS 15 2HB CYS 15 -0.962 -2.119 -1.993
126 H TYR 16 H TYR 16 -1.780 -0.379 -0.264
127 HA TYR 16 HA TYR 16 -3.036 -1.924 1.840
128 HB2 TYR 16 1HB TYR 16 -3.442 0.085 3.263
129 HB3 TYR 16 2HB TYR 16 -1.748 -0.411 3.198
130 HD1 TYR 16 1HD TYR 16 -0.132 0.864 1.767
131 HD2 TYR 16 2HD TYR 16 -4.083 2.254 2.518
132 HE1 TYR 16 1HE TYR 16 0.535 3.125 1.064
133 HE2 TYR 16 2HE TYR 16 -3.426 4.519 1.816
134 HH TYR 16 HH TYR 16 -0.261 5.170 0.438
135 H MET 17 H MET 17 -5.223 -0.805 2.424
136 HA MET 17 HA MET 17 -6.451 0.014 -0.119
137 HB2 MET 17 1HB MET 17 -7.410 -1.577 2.221
138 HB3 MET 17 2HB MET 17 -8.592 -0.653 1.285
139 HG2 MET 17 1HG MET 17 -7.811 -1.807 -0.772
140 HG3 MET 17 2HG MET 17 -6.758 -2.795 0.242
141 HE1 MET 17 3HE MET 17 -9.895 -4.875 -1.148
142 HE2 MET 17 1HE MET 17 -8.605 -3.853 -1.781
143 HE3 MET 17 2HE MET 17 -8.213 -5.230 -0.753
144 H ASP 18 H ASP 18 -6.205 2.218 -0.050
145 HA ASP 18 HA ASP 18 -6.783 3.765 2.288
146 HB2 ASP 18 1HB ASP 18 -5.163 4.591 0.689
147 HB3 ASP 18 2HB ASP 18 -6.374 4.570 -0.599
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -8.948 3.066 2.763
2 HA2 GLY 1 2HA GLY 1 -11.220 2.772 2.620
3 HA3 GLY 1 3HA GLY 1 -11.202 4.175 1.562
4 H ARG 2 H ARG 2 -11.993 3.857 -0.401
5 HA ARG 2 HA ARG 2 -12.263 1.115 -1.380
6 HB2 ARG 2 1HB ARG 2 -13.618 3.719 -1.995
7 HB3 ARG 2 2HB ARG 2 -13.663 2.407 -3.181
8 HG2 ARG 2 1HG ARG 2 -14.485 1.950 -0.328
9 HG3 ARG 2 2HG ARG 2 -15.609 2.617 -1.529
10 HD2 ARG 2 1HD ARG 2 -14.405 0.415 -2.786
11 HD3 ARG 2 2HD ARG 2 -14.758 -0.109 -1.132
12 HE ARG 2 HE ARG 2 -16.656 0.423 -3.207
13 HH11 ARG 2 1HH1 ARG 2 -16.162 0.389 0.239
14 HH12 ARG 2 2HH1 ARG 2 -17.840 0.156 0.608
15 HH21 ARG 2 1HH2 ARG 2 -18.866 0.117 -2.734
16 HH22 ARG 2 2HH2 ARG 2 -19.376 0.000 -1.083
17 H TYR 3 H TYR 3 -9.684 1.853 -1.504
18 HA TYR 3 HA TYR 3 -9.148 1.758 -4.321
19 HB2 TYR 3 1HB TYR 3 -9.363 4.145 -4.158
20 HB3 TYR 3 2HB TYR 3 -8.335 4.190 -2.724
21 HD1 TYR 3 2HD TYR 3 -8.056 2.814 -6.195
22 HD2 TYR 3 1HD TYR 3 -6.227 5.038 -3.064
23 HE1 TYR 3 2HE TYR 3 -6.068 3.154 -7.605
24 HE2 TYR 3 1HE TYR 3 -4.235 5.385 -4.465
25 HH TYR 3 HH TYR 3 -4.190 4.790 -7.774
26 H ARG 4 H ARG 4 -7.049 1.062 -4.795
27 HA ARG 4 HA ARG 4 -5.601 -0.001 -2.475
28 HB2 ARG 4 1HB ARG 4 -6.446 -1.496 -4.383
29 HB3 ARG 4 2HB ARG 4 -5.146 -0.783 -5.345
30 HG2 ARG 4 1HG ARG 4 -3.823 -2.393 -4.572
31 HG3 ARG 4 2HG ARG 4 -3.885 -1.561 -3.009
32 HD2 ARG 4 1HD ARG 4 -5.564 -2.962 -2.177
33 HD3 ARG 4 2HD ARG 4 -6.030 -3.498 -3.797
34 HE ARG 4 HE ARG 4 -3.375 -4.280 -3.279
35 HH11 ARG 4 1HH1 ARG 4 -6.647 -5.019 -2.354
36 HH12 ARG 4 2HH1 ARG 4 -6.305 -6.674 -1.973
37 HH21 ARG 4 1HH2 ARG 4 -2.909 -6.458 -2.781
38 HH22 ARG 4 2HH2 ARG 4 -4.178 -7.491 -2.215
39 H ARG 5 H ARG 5 -3.728 0.864 -1.889
40 HA ARG 5 HA ARG 5 -2.275 2.518 -3.851
41 HB2 ARG 5 1HB ARG 5 -2.131 2.873 -0.861
42 HB3 ARG 5 2HB ARG 5 -1.619 3.999 -2.126
43 HG2 ARG 5 1HG ARG 5 -4.342 3.587 -2.591
44 HG3 ARG 5 2HG ARG 5 -4.175 3.743 -0.835
45 HD2 ARG 5 1HD ARG 5 -2.665 5.688 -2.496
46 HD3 ARG 5 2HD ARG 5 -4.426 5.847 -2.471
47 HE ARG 5 HE ARG 5 -3.309 5.587 0.151
48 HH11 ARG 5 1HH1 ARG 5 -3.976 7.821 -2.435
49 HH12 ARG 5 2HH1 ARG 5 -4.035 9.206 -1.397
50 HH21 ARG 5 1HH2 ARG 5 -3.385 7.405 1.528
51 HH22 ARG 5 2HH2 ARG 5 -3.697 8.969 0.856
52 H CYS 6 H CYS 6 0.052 2.589 -3.621
53 HA CYS 6 HA CYS 6 1.237 0.368 -2.126
54 HB2 CYS 6 1HB CYS 6 1.413 0.826 -5.093
55 HB3 CYS 6 2HB CYS 6 2.682 -0.056 -4.227
56 H ILE 7 H ILE 7 2.803 1.178 -0.915
57 HA ILE 7 HA ILE 7 4.290 3.520 -1.908
58 HB ILE 7 HB ILE 7 4.852 3.946 0.490
59 HG12 ILE 7 1HG1 ILE 7 2.556 2.229 1.307
60 HG13 ILE 7 2HG1 ILE 7 4.101 1.427 0.985
61 HG21 ILE 7 1HG2 ILE 7 1.905 3.915 -0.160
62 HG22 ILE 7 2HG2 ILE 7 2.698 4.926 1.048
63 HG23 ILE 7 3HG2 ILE 7 3.057 5.153 -0.664
64 HD11 ILE 7 3HD1 ILE 7 3.302 2.703 3.343
65 HD12 ILE 7 1HD1 ILE 7 4.881 2.018 2.963
66 HD13 ILE 7 2HD1 ILE 7 4.554 3.719 2.629
67 HA PRO 8 HA PRO 8 8.042 1.240 -1.943
68 HB2 PRO 8 1HB PRO 8 9.847 3.186 -1.271
69 HB3 PRO 8 2HB PRO 8 9.031 3.115 -2.831
70 HG2 PRO 8 1HG PRO 8 8.351 4.736 -0.400
71 HG3 PRO 8 2HG PRO 8 8.411 5.243 -2.131
72 HD2 PRO 8 1HD PRO 8 6.085 4.690 -0.845
73 HD3 PRO 8 2HD PRO 8 6.331 4.348 -2.566
74 H GLY 9 H GLY 9 8.765 -0.207 -0.519
75 HA2 GLY 9 2HA GLY 9 8.858 0.551 2.327
76 HA3 GLY 9 3HA GLY 9 8.691 -1.090 1.721
77 H MET 10 H MET 10 10.475 -1.309 3.386
78 HA MET 10 HA MET 10 13.090 -0.556 2.292
79 HB2 MET 10 1HB MET 10 12.248 -0.187 4.777
80 HB3 MET 10 2HB MET 10 12.799 -1.858 4.960
81 HG2 MET 10 1HG MET 10 14.934 -1.252 5.043
82 HG3 MET 10 2HG MET 10 14.769 -0.267 3.586
83 HE1 MET 10 3HE MET 10 16.483 1.732 6.602
84 HE2 MET 10 1HE MET 10 15.865 0.237 7.306
85 HE3 MET 10 2HE MET 10 16.684 0.202 5.743
86 H PHE 11 H PHE 11 11.029 -3.263 2.930
87 HA PHE 11 HA PHE 11 13.181 -5.088 2.079
88 HB2 PHE 11 1HB PHE 11 10.717 -5.847 3.665
89 HB3 PHE 11 2HB PHE 11 12.132 -6.850 3.336
90 HD1 PHE 11 2HD PHE 11 14.246 -6.478 4.491
91 HD2 PHE 11 1HD PHE 11 10.782 -4.181 5.406
92 HE1 PHE 11 2HE PHE 11 15.301 -5.725 6.582
93 HE2 PHE 11 1HE PHE 11 11.832 -3.422 7.497
94 HZ PHE 11 HZ PHE 11 14.094 -4.196 8.089
95 H ARG 12 H ARG 12 9.754 -4.294 1.788
96 HA ARG 12 HA ARG 12 9.735 -5.270 -0.929
97 HB2 ARG 12 1HB ARG 12 7.584 -6.621 -0.384
98 HB3 ARG 12 2HB ARG 12 9.165 -7.350 -0.066
99 HG2 ARG 12 1HG ARG 12 8.996 -6.829 2.288
100 HG3 ARG 12 2HG ARG 12 7.469 -5.975 2.006
101 HD2 ARG 12 1HD ARG 12 7.658 -8.805 1.089
102 HD3 ARG 12 2HD ARG 12 7.548 -8.501 2.829
103 HE ARG 12 HE ARG 12 5.555 -6.989 1.646
104 HH11 ARG 12 1HH1 ARG 12 6.407 -10.354 1.919
105 HH12 ARG 12 2HH1 ARG 12 4.769 -10.912 1.828
106 HH21 ARG 12 1HH2 ARG 12 3.394 -7.710 1.524
107 HH22 ARG 12 2HH2 ARG 12 3.056 -9.405 1.602
108 H ALA 13 H ALA 13 7.540 -4.896 -1.947
109 HA ALA 13 HA ALA 13 6.764 -2.224 -1.555
110 HB1 ALA 13 1HB ALA 13 6.371 -4.118 -3.509
111 HB2 ALA 13 2HB ALA 13 4.748 -3.859 -2.870
112 HB3 ALA 13 3HB ALA 13 5.680 -2.495 -3.485
113 H TYR 14 H TYR 14 5.380 -1.307 -0.187
114 HA TYR 14 HA TYR 14 3.638 -3.059 1.406
115 HB2 TYR 14 1HB TYR 14 5.441 -1.487 2.446
116 HB3 TYR 14 2HB TYR 14 4.267 -0.210 2.120
117 HD1 TYR 14 1HD TYR 14 1.801 -0.733 2.961
118 HD2 TYR 14 2HD TYR 14 5.332 -2.523 4.522
119 HE1 TYR 14 1HE TYR 14 0.607 -1.258 5.046
120 HE2 TYR 14 2HE TYR 14 4.149 -3.052 6.610
121 HH TYR 14 HH TYR 14 1.519 -3.432 7.190
122 H CYS 15 H CYS 15 1.762 -3.191 0.290
123 HA CYS 15 HA CYS 15 0.514 -0.701 -0.642
124 HB2 CYS 15 1HB CYS 15 -0.228 -3.571 -1.241
125 HB3 CYS 15 2HB CYS 15 -0.953 -2.132 -1.981
126 H TYR 16 H TYR 16 -1.775 -0.381 -0.258
127 HA TYR 16 HA TYR 16 -3.028 -1.919 1.850
128 HB2 TYR 16 1HB TYR 16 -3.435 0.095 3.267
129 HB3 TYR 16 2HB TYR 16 -1.742 -0.400 3.203
130 HD1 TYR 16 1HD TYR 16 -0.121 0.879 1.792
131 HD2 TYR 16 2HD TYR 16 -4.086 2.255 2.490
132 HE1 TYR 16 1HE TYR 16 0.544 3.137 1.078
133 HE2 TYR 16 2HE TYR 16 -3.433 4.516 1.776
134 HH TYR 16 HH TYR 16 -0.148 5.416 1.301
135 H MET 17 H MET 17 -5.216 -0.796 2.432
136 HA MET 17 HA MET 17 -6.445 0.013 -0.113
137 HB2 MET 17 1HB MET 17 -7.404 -1.572 2.234
138 HB3 MET 17 2HB MET 17 -8.585 -0.654 1.289
139 HG2 MET 17 1HG MET 17 -6.666 -2.617 0.045
140 HG3 MET 17 2HG MET 17 -8.271 -3.060 0.632
141 HE1 MET 17 3HE MET 17 -9.979 -3.499 -1.222
142 HE2 MET 17 1HE MET 17 -9.548 -3.112 -2.888
143 HE3 MET 17 2HE MET 17 -8.434 -4.038 -1.881
144 H ASP 18 H ASP 18 -6.200 2.216 -0.051
145 HA ASP 18 HA ASP 18 -6.781 3.770 2.280
146 HB2 ASP 18 1HB ASP 18 -5.161 4.586 0.672
147 HB3 ASP 18 2HB ASP 18 -6.382 4.570 -0.609
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -8.942 3.070 2.765
2 HA2 GLY 1 2HA GLY 1 -11.214 2.773 2.623
3 HA3 GLY 1 3HA GLY 1 -11.198 4.177 1.566
4 H ARG 2 H ARG 2 -11.998 3.857 -0.392
5 HA ARG 2 HA ARG 2 -12.263 1.117 -1.376
6 HB2 ARG 2 1HB ARG 2 -13.619 3.720 -1.985
7 HB3 ARG 2 2HB ARG 2 -13.666 2.410 -3.174
8 HG2 ARG 2 1HG ARG 2 -14.551 0.932 -1.296
9 HG3 ARG 2 2HG ARG 2 -14.800 2.438 -0.399
10 HD2 ARG 2 1HD ARG 2 -16.013 3.192 -2.616
11 HD3 ARG 2 2HD ARG 2 -16.165 1.446 -2.856
12 HE ARG 2 HE ARG 2 -17.596 3.057 -0.968
13 HH11 ARG 2 1HH1 ARG 2 -16.382 -0.139 -1.625
14 HH12 ARG 2 2HH1 ARG 2 -17.554 -0.932 -0.623
15 HH21 ARG 2 1HH2 ARG 2 -19.142 2.026 0.354
16 HH22 ARG 2 2HH2 ARG 2 -19.123 0.302 0.501
17 H TYR 3 H TYR 3 -9.686 1.854 -1.500
18 HA TYR 3 HA TYR 3 -9.153 1.761 -4.317
19 HB2 TYR 3 1HB TYR 3 -9.365 4.150 -4.153
20 HB3 TYR 3 2HB TYR 3 -8.338 4.192 -2.718
21 HD1 TYR 3 2HD TYR 3 -8.058 2.819 -6.191
22 HD2 TYR 3 1HD TYR 3 -6.230 5.040 -3.058
23 HE1 TYR 3 2HE TYR 3 -6.070 3.160 -7.601
24 HE2 TYR 3 1HE TYR 3 -4.238 5.390 -4.459
25 HH TYR 3 HH TYR 3 -3.144 4.561 -6.342
26 H ARG 4 H ARG 4 -7.054 1.066 -4.795
27 HA ARG 4 HA ARG 4 -5.603 0.001 -2.477
28 HB2 ARG 4 1HB ARG 4 -6.434 -1.531 -4.325
29 HB3 ARG 4 2HB ARG 4 -5.219 -0.774 -5.366
30 HG2 ARG 4 1HG ARG 4 -3.626 -2.094 -4.579
31 HG3 ARG 4 2HG ARG 4 -3.994 -1.609 -2.917
32 HD2 ARG 4 1HD ARG 4 -4.218 -4.031 -3.195
33 HD3 ARG 4 2HD ARG 4 -5.769 -3.276 -2.802
34 HE ARG 4 HE ARG 4 -5.572 -3.434 -5.583
35 HH11 ARG 4 1HH1 ARG 4 -5.825 -5.549 -2.831
36 HH12 ARG 4 2HH1 ARG 4 -6.642 -6.804 -3.705
37 HH21 ARG 4 1HH2 ARG 4 -6.646 -5.076 -6.745
38 HH22 ARG 4 2HH2 ARG 4 -7.107 -6.533 -5.932
39 H ARG 5 H ARG 5 -3.729 0.867 -1.891
40 HA ARG 5 HA ARG 5 -2.279 2.520 -3.854
41 HB2 ARG 5 1HB ARG 5 -2.133 2.871 -0.861
42 HB3 ARG 5 2HB ARG 5 -1.618 3.999 -2.124
43 HG2 ARG 5 1HG ARG 5 -4.346 3.589 -2.590
44 HG3 ARG 5 2HG ARG 5 -4.175 3.747 -0.833
45 HD2 ARG 5 1HD ARG 5 -2.656 5.687 -2.487
46 HD3 ARG 5 2HD ARG 5 -4.419 5.847 -2.485
47 HE ARG 5 HE ARG 5 -3.310 5.598 0.150
48 HH11 ARG 5 1HH1 ARG 5 -4.031 7.811 -2.439
49 HH12 ARG 5 2HH1 ARG 5 -4.125 9.196 -1.401
50 HH21 ARG 5 1HH2 ARG 5 -3.429 7.413 1.524
51 HH22 ARG 5 2HH2 ARG 5 -3.782 8.970 0.851
52 H CYS 6 H CYS 6 0.050 2.592 -3.622
53 HA CYS 6 HA CYS 6 1.235 0.368 -2.135
54 HB2 CYS 6 1HB CYS 6 1.409 0.836 -5.100
55 HB3 CYS 6 2HB CYS 6 2.680 -0.049 -4.234
56 H ILE 7 H ILE 7 2.801 1.174 -0.921
57 HA ILE 7 HA ILE 7 4.287 3.518 -1.908
58 HB ILE 7 HB ILE 7 4.845 3.945 0.489
59 HG12 ILE 7 1HG1 ILE 7 2.587 2.079 1.177
60 HG13 ILE 7 2HG1 ILE 7 4.254 1.484 1.087
61 HG21 ILE 7 1HG2 ILE 7 1.900 3.902 -0.159
62 HG22 ILE 7 2HG2 ILE 7 2.687 4.914 1.051
63 HG23 ILE 7 3HG2 ILE 7 3.045 5.147 -0.661
64 HD11 ILE 7 3HD1 ILE 7 2.952 2.932 3.199
65 HD12 ILE 7 1HD1 ILE 7 4.507 2.098 3.196
66 HD13 ILE 7 2HD1 ILE 7 4.404 3.775 2.658
67 HA PRO 8 HA PRO 8 8.038 1.235 -1.942
68 HB2 PRO 8 1HB PRO 8 9.846 3.181 -1.268
69 HB3 PRO 8 2HB PRO 8 9.029 3.109 -2.829
70 HG2 PRO 8 1HG PRO 8 8.349 4.731 -0.400
71 HG3 PRO 8 2HG PRO 8 8.408 5.240 -2.129
72 HD2 PRO 8 1HD PRO 8 6.083 4.687 -0.843
73 HD3 PRO 8 2HD PRO 8 6.331 4.344 -2.566
74 H GLY 9 H GLY 9 8.761 -0.212 -0.518
75 HA2 GLY 9 2HA GLY 9 8.850 0.544 2.329
76 HA3 GLY 9 3HA GLY 9 8.686 -1.097 1.720
77 H MET 10 H MET 10 10.470 -1.298 3.396
78 HA MET 10 HA MET 10 13.086 -0.548 2.301
79 HB2 MET 10 1HB MET 10 12.241 -0.174 4.785
80 HB3 MET 10 2HB MET 10 12.793 -1.846 4.970
81 HG2 MET 10 1HG MET 10 14.980 -1.305 4.811
82 HG3 MET 10 2HG MET 10 14.676 -0.016 3.641
83 HE1 MET 10 3HE MET 10 13.588 2.424 4.420
84 HE2 MET 10 1HE MET 10 14.725 3.129 5.571
85 HE3 MET 10 2HE MET 10 15.324 2.228 4.179
86 H PHE 11 H PHE 11 11.028 -3.257 2.936
87 HA PHE 11 HA PHE 11 13.185 -5.080 2.095
88 HB2 PHE 11 1HB PHE 11 10.717 -5.838 3.672
89 HB3 PHE 11 2HB PHE 11 12.132 -6.843 3.348
90 HD1 PHE 11 1HD PHE 11 14.368 -5.100 3.955
91 HD2 PHE 11 2HD PHE 11 10.643 -5.541 5.968
92 HE1 PHE 11 1HE PHE 11 15.414 -4.344 6.050
93 HE2 PHE 11 2HE PHE 11 11.683 -4.784 8.065
94 HZ PHE 11 HZ PHE 11 14.072 -4.182 8.108
95 H ARG 12 H ARG 12 9.760 -4.289 1.788
96 HA ARG 12 HA ARG 12 9.753 -5.260 -0.931
97 HB2 ARG 12 1HB ARG 12 7.607 -6.624 -0.395
98 HB3 ARG 12 2HB ARG 12 9.192 -7.347 -0.078
99 HG2 ARG 12 1HG ARG 12 9.018 -6.909 2.268
100 HG3 ARG 12 2HG ARG 12 7.543 -5.957 2.018
101 HD2 ARG 12 1HD ARG 12 6.249 -7.779 2.057
102 HD3 ARG 12 2HD ARG 12 7.287 -8.603 0.883
103 HE ARG 12 HE ARG 12 8.670 -8.741 3.236
104 HH11 ARG 12 1HH1 ARG 12 5.498 -9.696 2.169
105 HH12 ARG 12 2HH1 ARG 12 5.390 -11.035 3.264
106 HH21 ARG 12 1HH2 ARG 12 8.541 -10.501 4.681
107 HH22 ARG 12 2HH2 ARG 12 7.121 -11.491 4.693
108 H ALA 13 H ALA 13 7.559 -4.895 -1.953
109 HA ALA 13 HA ALA 13 6.766 -2.231 -1.561
110 HB1 ALA 13 1HB ALA 13 5.765 -4.506 -3.188
111 HB2 ALA 13 2HB ALA 13 4.721 -3.099 -2.989
112 HB3 ALA 13 3HB ALA 13 6.327 -2.914 -3.695
113 H TYR 14 H TYR 14 5.368 -1.316 -0.206
114 HA TYR 14 HA TYR 14 3.636 -3.074 1.393
115 HB2 TYR 14 1HB TYR 14 5.441 -1.514 2.439
116 HB3 TYR 14 2HB TYR 14 4.274 -0.228 2.118
117 HD1 TYR 14 1HD TYR 14 1.809 -0.729 2.959
118 HD2 TYR 14 2HD TYR 14 5.321 -2.569 4.505
119 HE1 TYR 14 1HE TYR 14 0.610 -1.257 5.041
120 HE2 TYR 14 2HE TYR 14 4.132 -3.102 6.589
121 HH TYR 14 HH TYR 14 2.261 -2.797 7.773
122 H CYS 15 H CYS 15 1.758 -3.196 0.274
123 HA CYS 15 HA CYS 15 0.516 -0.700 -0.645
124 HB2 CYS 15 1HB CYS 15 -0.237 -3.566 -1.253
125 HB3 CYS 15 2HB CYS 15 -0.956 -2.123 -1.988
126 H TYR 16 H TYR 16 -1.775 -0.380 -0.260
127 HA TYR 16 HA TYR 16 -3.029 -1.919 1.848
128 HB2 TYR 16 1HB TYR 16 -3.432 0.091 3.267
129 HB3 TYR 16 2HB TYR 16 -1.735 -0.399 3.197
130 HD1 TYR 16 2HD TYR 16 -0.119 0.894 1.807
131 HD2 TYR 16 1HD TYR 16 -4.100 2.241 2.469
132 HE1 TYR 16 2HE TYR 16 0.536 3.155 1.097
133 HE2 TYR 16 1HE TYR 16 -3.456 4.507 1.759
134 HH TYR 16 HH TYR 16 -1.289 5.358 0.063
135 H MET 17 H MET 17 -5.214 -0.795 2.432
136 HA MET 17 HA MET 17 -6.445 0.015 -0.113
137 HB2 MET 17 1HB MET 17 -7.400 -1.573 2.234
138 HB3 MET 17 2HB MET 17 -8.585 -0.650 1.297
139 HG2 MET 17 1HG MET 17 -7.798 -1.810 -0.759
140 HG3 MET 17 2HG MET 17 -6.754 -2.798 0.263
141 HE1 MET 17 3HE MET 17 -10.804 -3.905 -0.987
142 HE2 MET 17 1HE MET 17 -10.337 -2.207 -1.080
143 HE3 MET 17 2HE MET 17 -9.327 -3.442 -1.833
144 H ASP 18 H ASP 18 -6.200 2.218 -0.051
145 HA ASP 18 HA ASP 18 -6.775 3.773 2.281
146 HB2 ASP 18 1HB ASP 18 -5.156 4.592 0.678
147 HB3 ASP 18 2HB ASP 18 -6.372 4.567 -0.607
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -8.942 3.073 2.763
2 HA2 GLY 1 2HA GLY 1 -11.213 2.774 2.621
3 HA3 GLY 1 3HA GLY 1 -11.199 4.175 1.561
4 H ARG 2 H ARG 2 -11.992 3.851 -0.401
5 HA ARG 2 HA ARG 2 -12.259 1.108 -1.375
6 HB2 ARG 2 1HB ARG 2 -13.619 3.708 -1.993
7 HB3 ARG 2 2HB ARG 2 -13.660 2.394 -3.177
8 HG2 ARG 2 1HG ARG 2 -15.069 1.121 -1.948
9 HG3 ARG 2 2HG ARG 2 -14.390 1.680 -0.410
10 HD2 ARG 2 1HD ARG 2 -15.637 3.895 -1.737
11 HD3 ARG 2 2HD ARG 2 -16.763 2.533 -1.680
12 HE ARG 2 HE ARG 2 -15.817 4.093 0.546
13 HH11 ARG 2 1HH1 ARG 2 -17.182 1.051 -0.456
14 HH12 ARG 2 2HH1 ARG 2 -17.866 0.698 1.096
15 HH21 ARG 2 1HH2 ARG 2 -16.711 3.640 2.594
16 HH22 ARG 2 2HH2 ARG 2 -17.599 2.171 2.830
17 H TYR 3 H TYR 3 -9.681 1.845 -1.502
18 HA TYR 3 HA TYR 3 -9.147 1.748 -4.319
19 HB2 TYR 3 1HB TYR 3 -9.361 4.137 -4.158
20 HB3 TYR 3 2HB TYR 3 -8.334 4.183 -2.725
21 HD1 TYR 3 2HD TYR 3 -8.054 2.801 -6.195
22 HD2 TYR 3 1HD TYR 3 -6.226 5.031 -3.066
23 HE1 TYR 3 2HE TYR 3 -6.066 3.141 -7.605
24 HE2 TYR 3 1HE TYR 3 -4.235 5.377 -4.467
25 HH TYR 3 HH TYR 3 -3.204 4.822 -6.371
26 H ARG 4 H ARG 4 -7.048 1.051 -4.794
27 HA ARG 4 HA ARG 4 -5.597 -0.006 -2.473
28 HB2 ARG 4 1HB ARG 4 -6.451 -1.486 -4.407
29 HB3 ARG 4 2HB ARG 4 -5.107 -0.797 -5.332
30 HG2 ARG 4 1HG ARG 4 -3.494 -1.846 -4.064
31 HG3 ARG 4 2HG ARG 4 -4.567 -2.013 -2.664
32 HD2 ARG 4 1HD ARG 4 -5.316 -4.011 -3.341
33 HD3 ARG 4 2HD ARG 4 -5.589 -3.420 -4.985
34 HE ARG 4 HE ARG 4 -3.354 -4.931 -4.064
35 HH11 ARG 4 1HH1 ARG 4 -4.342 -2.496 -6.349
36 HH12 ARG 4 2HH1 ARG 4 -3.086 -2.866 -7.484
37 HH21 ARG 4 1HH2 ARG 4 -1.695 -5.426 -5.551
38 HH22 ARG 4 2HH2 ARG 4 -1.582 -4.534 -7.029
39 H ARG 5 H ARG 5 -3.725 0.862 -1.887
40 HA ARG 5 HA ARG 5 -2.275 2.513 -3.853
41 HB2 ARG 5 1HB ARG 5 -2.126 2.871 -0.862
42 HB3 ARG 5 2HB ARG 5 -1.618 3.997 -2.129
43 HG2 ARG 5 1HG ARG 5 -4.342 3.581 -2.592
44 HG3 ARG 5 2HG ARG 5 -4.172 3.734 -0.835
45 HD2 ARG 5 1HD ARG 5 -2.769 5.682 -2.631
46 HD3 ARG 5 2HD ARG 5 -4.500 5.865 -2.307
47 HE ARG 5 HE ARG 5 -3.477 5.613 0.169
48 HH11 ARG 5 1HH1 ARG 5 -2.616 7.621 -2.541
49 HH12 ARG 5 2HH1 ARG 5 -2.024 8.919 -1.558
50 HH21 ARG 5 1HH2 ARG 5 -2.699 7.314 1.474
51 HH22 ARG 5 2HH2 ARG 5 -2.069 8.742 0.726
52 H CYS 6 H CYS 6 0.053 2.586 -3.625
53 HA CYS 6 HA CYS 6 1.241 0.366 -2.130
54 HB2 CYS 6 1HB CYS 6 1.415 0.825 -5.098
55 HB3 CYS 6 2HB CYS 6 2.685 -0.057 -4.230
56 H ILE 7 H ILE 7 2.807 1.177 -0.920
57 HA ILE 7 HA ILE 7 4.294 3.519 -1.916
58 HB ILE 7 HB ILE 7 4.851 3.953 0.480
59 HG12 ILE 7 1HG1 ILE 7 2.573 2.154 1.233
60 HG13 ILE 7 2HG1 ILE 7 4.193 1.467 1.038
61 HG21 ILE 7 1HG2 ILE 7 1.911 3.913 -0.194
62 HG22 ILE 7 2HG2 ILE 7 2.676 4.911 1.042
63 HG23 ILE 7 3HG2 ILE 7 3.062 5.166 -0.659
64 HD11 ILE 7 3HD1 ILE 7 5.062 2.643 2.828
65 HD12 ILE 7 1HD1 ILE 7 3.777 3.847 2.790
66 HD13 ILE 7 2HD1 ILE 7 3.440 2.220 3.379
67 HA PRO 8 HA PRO 8 8.045 1.235 -1.939
68 HB2 PRO 8 1HB PRO 8 9.850 3.185 -1.273
69 HB3 PRO 8 2HB PRO 8 9.035 3.107 -2.833
70 HG2 PRO 8 1HG PRO 8 8.354 4.738 -0.410
71 HG3 PRO 8 2HG PRO 8 8.414 5.239 -2.141
72 HD2 PRO 8 1HD PRO 8 6.088 4.691 -0.857
73 HD3 PRO 8 2HD PRO 8 6.336 4.342 -2.575
74 H GLY 9 H GLY 9 8.766 -0.206 -0.509
75 HA2 GLY 9 2HA GLY 9 8.860 0.564 2.333
76 HA3 GLY 9 3HA GLY 9 8.686 -1.079 1.736
77 H MET 10 H MET 10 10.467 -1.316 3.392
78 HA MET 10 HA MET 10 13.087 -0.570 2.297
79 HB2 MET 10 1HB MET 10 12.246 -0.197 4.784
80 HB3 MET 10 2HB MET 10 12.790 -1.870 4.965
81 HG2 MET 10 1HG MET 10 15.008 -1.351 4.614
82 HG3 MET 10 2HG MET 10 14.619 0.114 3.710
83 HE1 MET 10 3HE MET 10 16.676 -0.578 5.763
84 HE2 MET 10 1HE MET 10 16.812 0.844 6.797
85 HE3 MET 10 2HE MET 10 16.133 -0.653 7.440
86 H PHE 11 H PHE 11 11.014 -3.267 2.935
87 HA PHE 11 HA PHE 11 13.160 -5.103 2.089
88 HB2 PHE 11 1HB PHE 11 10.685 -5.848 3.660
89 HB3 PHE 11 2HB PHE 11 12.094 -6.860 3.337
90 HD1 PHE 11 1HD PHE 11 14.337 -5.128 3.952
91 HD2 PHE 11 2HD PHE 11 10.609 -5.559 5.959
92 HE1 PHE 11 1HE PHE 11 15.384 -4.380 6.048
93 HE2 PHE 11 2HE PHE 11 11.649 -4.811 8.059
94 HZ PHE 11 HZ PHE 11 14.038 -4.220 8.105
95 H ARG 12 H ARG 12 9.738 -4.290 1.781
96 HA ARG 12 HA ARG 12 9.729 -5.254 -0.940
97 HB2 ARG 12 1HB ARG 12 7.579 -6.611 -0.414
98 HB3 ARG 12 2HB ARG 12 9.158 -7.340 -0.094
99 HG2 ARG 12 1HG ARG 12 8.967 -6.729 2.278
100 HG3 ARG 12 2HG ARG 12 7.371 -6.039 1.950
101 HD2 ARG 12 1HD ARG 12 7.099 -8.530 0.870
102 HD3 ARG 12 2HD ARG 12 8.191 -8.843 2.225
103 HE ARG 12 HE ARG 12 5.415 -8.213 2.378
104 HH11 ARG 12 1HH1 ARG 12 8.458 -7.880 4.035
105 HH12 ARG 12 2HH1 ARG 12 7.738 -7.750 5.606
106 HH21 ARG 12 1HH2 ARG 12 4.454 -8.042 4.441
107 HH22 ARG 12 2HH2 ARG 12 5.461 -7.842 5.835
108 H ALA 13 H ALA 13 7.538 -4.875 -1.964
109 HA ALA 13 HA ALA 13 6.761 -2.207 -1.561
110 HB1 ALA 13 1HB ALA 13 6.137 -4.328 -3.388
111 HB2 ALA 13 2HB ALA 13 4.660 -3.492 -2.908
112 HB3 ALA 13 3HB ALA 13 5.997 -2.583 -3.610
113 H TYR 14 H TYR 14 5.392 -1.301 -0.173
114 HA TYR 14 HA TYR 14 3.643 -3.057 1.406
115 HB2 TYR 14 1HB TYR 14 5.443 -1.491 2.455
116 HB3 TYR 14 2HB TYR 14 4.275 -0.209 2.126
117 HD1 TYR 14 2HD TYR 14 1.813 -0.703 2.967
118 HD2 TYR 14 1HD TYR 14 5.316 -2.553 4.515
119 HE1 TYR 14 2HE TYR 14 0.610 -1.226 5.048
120 HE2 TYR 14 1HE TYR 14 4.124 -3.083 6.601
121 HH TYR 14 HH TYR 14 1.970 -3.295 7.486
122 H CYS 15 H CYS 15 1.768 -3.186 0.287
123 HA CYS 15 HA CYS 15 0.518 -0.697 -0.641
124 HB2 CYS 15 1HB CYS 15 -0.226 -3.565 -1.236
125 HB3 CYS 15 2HB CYS 15 -0.950 -2.128 -1.977
126 H TYR 16 H TYR 16 -1.770 -0.378 -0.256
127 HA TYR 16 HA TYR 16 -3.021 -1.911 1.858
128 HB2 TYR 16 1HB TYR 16 -3.428 0.110 3.268
129 HB3 TYR 16 2HB TYR 16 -1.735 -0.390 3.207
130 HD1 TYR 16 1HD TYR 16 -0.117 0.874 1.765
131 HD2 TYR 16 2HD TYR 16 -4.065 2.276 2.510
132 HE1 TYR 16 1HE TYR 16 0.554 3.128 1.046
133 HE2 TYR 16 2HE TYR 16 -3.404 4.534 1.791
134 HH TYR 16 HH TYR 16 -0.215 5.490 1.439
135 H MET 17 H MET 17 -5.209 -0.792 2.438
136 HA MET 17 HA MET 17 -6.441 0.011 -0.107
137 HB2 MET 17 1HB MET 17 -7.395 -1.571 2.243
138 HB3 MET 17 2HB MET 17 -8.580 -0.652 1.302
139 HG2 MET 17 1HG MET 17 -7.787 -1.815 -0.752
140 HG3 MET 17 2HG MET 17 -6.749 -2.805 0.279
141 HE1 MET 17 3HE MET 17 -7.684 -5.095 -0.419
142 HE2 MET 17 1HE MET 17 -9.401 -5.470 -0.564
143 HE3 MET 17 2HE MET 17 -8.664 -4.281 -1.637
144 H ASP 18 H ASP 18 -6.196 2.216 -0.052
145 HA ASP 18 HA ASP 18 -6.776 3.773 2.276
146 HB2 ASP 18 1HB ASP 18 -5.158 4.589 0.668
147 HB3 ASP 18 2HB ASP 18 -6.376 4.565 -0.616
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -8.932 3.082 2.757
2 HA2 GLY 1 2HA GLY 1 -11.204 2.789 2.617
3 HA3 GLY 1 3HA GLY 1 -11.189 4.188 1.554
4 H ARG 2 H ARG 2 -11.995 3.857 -0.399
5 HA ARG 2 HA ARG 2 -12.251 1.112 -1.373
6 HB2 ARG 2 1HB ARG 2 -13.617 3.709 -1.988
7 HB3 ARG 2 2HB ARG 2 -13.660 2.395 -3.176
8 HG2 ARG 2 1HG ARG 2 -14.331 1.233 -0.701
9 HG3 ARG 2 2HG ARG 2 -15.240 2.749 -0.818
10 HD2 ARG 2 1HD ARG 2 -15.142 0.735 -3.063
11 HD3 ARG 2 2HD ARG 2 -16.355 0.680 -1.776
12 HE ARG 2 HE ARG 2 -16.530 3.224 -2.709
13 HH11 ARG 2 1HH1 ARG 2 -16.665 0.082 -4.201
14 HH12 ARG 2 2HH1 ARG 2 -17.728 0.587 -5.472
15 HH21 ARG 2 1HH2 ARG 2 -17.929 3.902 -4.378
16 HH22 ARG 2 2HH2 ARG 2 -18.446 2.761 -5.571
17 H TYR 3 H TYR 3 -9.677 1.852 -1.507
18 HA TYR 3 HA TYR 3 -9.152 1.761 -4.327
19 HB2 TYR 3 1HB TYR 3 -9.365 4.149 -4.151
20 HB3 TYR 3 2HB TYR 3 -8.324 4.187 -2.726
21 HD1 TYR 3 2HD TYR 3 -8.081 2.823 -6.207
22 HD2 TYR 3 1HD TYR 3 -6.216 5.033 -3.085
23 HE1 TYR 3 2HE TYR 3 -6.108 3.165 -7.634
24 HE2 TYR 3 1HE TYR 3 -4.238 5.382 -4.505
25 HH TYR 3 HH TYR 3 -3.436 3.677 -6.990
26 H ARG 4 H ARG 4 -7.051 1.070 -4.810
27 HA ARG 4 HA ARG 4 -5.607 -0.022 -2.502
28 HB2 ARG 4 1HB ARG 4 -6.437 -1.457 -4.481
29 HB3 ARG 4 2HB ARG 4 -5.086 -0.743 -5.374
30 HG2 ARG 4 1HG ARG 4 -3.848 -2.419 -4.597
31 HG3 ARG 4 2HG ARG 4 -3.911 -1.590 -3.033
32 HD2 ARG 4 1HD ARG 4 -5.981 -2.849 -2.482
33 HD3 ARG 4 2HD ARG 4 -5.803 -3.726 -4.009
34 HE ARG 4 HE ARG 4 -3.418 -4.109 -2.745
35 HH11 ARG 4 1HH1 ARG 4 -6.755 -4.642 -1.902
36 HH12 ARG 4 2HH1 ARG 4 -6.414 -5.991 -0.869
37 HH21 ARG 4 1HH2 ARG 4 -2.957 -5.885 -1.391
38 HH22 ARG 4 2HH2 ARG 4 -4.254 -6.697 -0.578
39 H ARG 5 H ARG 5 -3.751 0.851 -1.877
40 HA ARG 5 HA ARG 5 -2.294 2.557 -3.790
41 HB2 ARG 5 1HB ARG 5 -2.127 2.831 -0.793
42 HB3 ARG 5 2HB ARG 5 -1.671 4.006 -2.035
43 HG2 ARG 5 1HG ARG 5 -4.318 3.710 -2.566
44 HG3 ARG 5 2HG ARG 5 -4.282 3.477 -0.811
45 HD2 ARG 5 1HD ARG 5 -4.637 5.833 -1.388
46 HD3 ARG 5 2HD ARG 5 -3.109 5.592 -0.532
47 HE ARG 5 HE ARG 5 -2.496 5.469 -3.217
48 HH11 ARG 5 1HH1 ARG 5 -3.883 7.794 -1.029
49 HH12 ARG 5 2HH1 ARG 5 -3.297 9.167 -1.909
50 HH21 ARG 5 1HH2 ARG 5 -1.719 7.269 -4.385
51 HH22 ARG 5 2HH2 ARG 5 -2.065 8.866 -3.818
52 H CYS 6 H CYS 6 0.026 2.613 -3.584
53 HA CYS 6 HA CYS 6 1.229 0.375 -2.127
54 HB2 CYS 6 1HB CYS 6 1.371 0.868 -5.088
55 HB3 CYS 6 2HB CYS 6 2.658 -0.012 -4.249
56 H ILE 7 H ILE 7 2.801 1.173 -0.918
57 HA ILE 7 HA ILE 7 4.282 3.523 -1.900
58 HB ILE 7 HB ILE 7 4.849 3.939 0.499
59 HG12 ILE 7 1HG1 ILE 7 2.554 2.192 1.283
60 HG13 ILE 7 2HG1 ILE 7 4.131 1.431 1.006
61 HG21 ILE 7 1HG2 ILE 7 2.811 5.042 0.998
62 HG22 ILE 7 2HG2 ILE 7 2.967 5.044 -0.758
63 HG23 ILE 7 3HG2 ILE 7 1.877 3.903 0.028
64 HD11 ILE 7 3HD1 ILE 7 4.681 1.946 3.082
65 HD12 ILE 7 1HD1 ILE 7 4.659 3.646 2.618
66 HD13 ILE 7 2HD1 ILE 7 3.211 2.895 3.288
67 HA PRO 8 HA PRO 8 8.033 1.239 -1.948
68 HB2 PRO 8 1HB PRO 8 9.842 3.179 -1.271
69 HB3 PRO 8 2HB PRO 8 9.023 3.113 -2.830
70 HG2 PRO 8 1HG PRO 8 8.349 4.729 -0.394
71 HG3 PRO 8 2HG PRO 8 8.406 5.241 -2.121
72 HD2 PRO 8 1HD PRO 8 6.082 4.687 -0.835
73 HD3 PRO 8 2HD PRO 8 6.325 4.351 -2.557
74 H GLY 9 H GLY 9 8.756 -0.214 -0.531
75 HA2 GLY 9 2HA GLY 9 8.847 0.528 2.319
76 HA3 GLY 9 3HA GLY 9 8.690 -1.110 1.701
77 H MET 10 H MET 10 10.475 -1.291 3.390
78 HA MET 10 HA MET 10 13.087 -0.537 2.291
79 HB2 MET 10 1HB MET 10 12.240 -0.166 4.775
80 HB3 MET 10 2HB MET 10 12.799 -1.836 4.960
81 HG2 MET 10 1HG MET 10 15.031 -1.221 4.242
82 HG3 MET 10 2HG MET 10 14.489 0.432 3.936
83 HE1 MET 10 3HE MET 10 16.399 1.540 6.981
84 HE2 MET 10 1HE MET 10 16.831 0.761 5.460
85 HE3 MET 10 2HE MET 10 15.639 2.059 5.476
86 H PHE 11 H PHE 11 11.041 -3.254 2.929
87 HA PHE 11 HA PHE 11 13.204 -5.068 2.080
88 HB2 PHE 11 1HB PHE 11 10.749 -5.839 3.671
89 HB3 PHE 11 2HB PHE 11 12.167 -6.834 3.340
90 HD1 PHE 11 1HD PHE 11 10.928 -3.960 5.269
91 HD2 PHE 11 2HD PHE 11 14.157 -6.659 4.631
92 HE1 PHE 11 1HE PHE 11 11.977 -3.192 7.357
93 HE2 PHE 11 2HE PHE 11 15.212 -5.895 6.718
94 HZ PHE 11 HZ PHE 11 14.122 -4.162 8.086
95 H ARG 12 H ARG 12 9.772 -4.294 1.793
96 HA ARG 12 HA ARG 12 9.753 -5.277 -0.923
97 HB2 ARG 12 1HB ARG 12 7.612 -6.638 -0.374
98 HB3 ARG 12 2HB ARG 12 9.197 -7.357 -0.054
99 HG2 ARG 12 1HG ARG 12 8.957 -7.273 2.211
100 HG3 ARG 12 2HG ARG 12 7.904 -5.849 2.147
101 HD2 ARG 12 1HD ARG 12 6.009 -7.075 1.882
102 HD3 ARG 12 2HD ARG 12 6.833 -8.309 0.917
103 HE ARG 12 HE ARG 12 7.596 -8.326 3.688
104 HH11 ARG 12 1HH1 ARG 12 5.283 -9.466 1.348
105 HH12 ARG 12 2HH1 ARG 12 4.822 -10.850 2.284
106 HH21 ARG 12 1HH2 ARG 12 6.996 -10.143 4.931
107 HH22 ARG 12 2HH2 ARG 12 5.796 -11.233 4.322
108 H ALA 13 H ALA 13 7.556 -4.916 -1.939
109 HA ALA 13 HA ALA 13 6.769 -2.248 -1.557
110 HB1 ALA 13 1HB ALA 13 6.541 -3.601 -3.663
111 HB2 ALA 13 2HB ALA 13 5.127 -4.362 -2.933
112 HB3 ALA 13 3HB ALA 13 5.134 -2.626 -3.236
113 H TYR 14 H TYR 14 5.354 -1.321 -0.220
114 HA TYR 14 HA TYR 14 3.629 -3.073 1.394
115 HB2 TYR 14 1HB TYR 14 5.440 -1.510 2.431
116 HB3 TYR 14 2HB TYR 14 4.271 -0.229 2.112
117 HD1 TYR 14 2HD TYR 14 1.800 -0.763 2.949
118 HD2 TYR 14 1HD TYR 14 5.338 -2.536 4.512
119 HE1 TYR 14 2HE TYR 14 0.608 -1.288 5.036
120 HE2 TYR 14 1HE TYR 14 4.157 -3.066 6.602
121 HH TYR 14 HH TYR 14 1.150 -1.735 7.402
122 H CYS 15 H CYS 15 1.750 -3.194 0.278
123 HA CYS 15 HA CYS 15 0.510 -0.695 -0.637
124 HB2 CYS 15 1HB CYS 15 -0.236 -3.556 -1.264
125 HB3 CYS 15 2HB CYS 15 -0.961 -2.113 -1.988
126 H TYR 16 H TYR 16 -1.782 -0.378 -0.257
127 HA TYR 16 HA TYR 16 -3.037 -1.930 1.841
128 HB2 TYR 16 1HB TYR 16 -3.458 0.105 3.250
129 HB3 TYR 16 2HB TYR 16 -1.778 -0.438 3.227
130 HD1 TYR 16 2HD TYR 16 -0.042 0.865 2.131
131 HD2 TYR 16 1HD TYR 16 -4.079 2.207 2.174
132 HE1 TYR 16 2HE TYR 16 0.700 3.103 1.434
133 HE2 TYR 16 1HE TYR 16 -3.349 4.449 1.475
134 HH TYR 16 HH TYR 16 -1.410 5.830 1.454
135 H MET 17 H MET 17 -5.225 -0.809 2.429
136 HA MET 17 HA MET 17 -6.455 0.001 -0.115
137 HB2 MET 17 1HB MET 17 -7.411 -1.573 2.239
138 HB3 MET 17 2HB MET 17 -8.595 -0.645 1.305
139 HG2 MET 17 1HG MET 17 -6.701 -2.631 0.058
140 HG3 MET 17 2HG MET 17 -8.315 -3.047 0.638
141 HE1 MET 17 3HE MET 17 -10.133 -3.351 -1.223
142 HE2 MET 17 1HE MET 17 -10.486 -1.969 -0.185
143 HE3 MET 17 2HE MET 17 -10.712 -1.842 -1.928
144 H ASP 18 H ASP 18 -6.195 2.206 -0.063
145 HA ASP 18 HA ASP 18 -6.761 3.773 2.262
146 HB2 ASP 18 1HB ASP 18 -5.143 4.557 0.622
147 HB3 ASP 18 2HB ASP 18 -6.392 4.572 -0.632
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -8.930 3.081 2.757
2 HA2 GLY 1 2HA GLY 1 -11.201 2.793 2.617
3 HA3 GLY 1 3HA GLY 1 -11.186 4.189 1.551
4 H ARG 2 H ARG 2 -11.990 3.854 -0.404
5 HA ARG 2 HA ARG 2 -12.246 1.105 -1.369
6 HB2 ARG 2 1HB ARG 2 -13.616 3.701 -1.991
7 HB3 ARG 2 2HB ARG 2 -13.657 2.383 -3.175
8 HG2 ARG 2 1HG ARG 2 -14.488 0.929 -1.205
9 HG3 ARG 2 2HG ARG 2 -14.845 2.483 -0.433
10 HD2 ARG 2 1HD ARG 2 -15.832 1.723 -3.188
11 HD3 ARG 2 2HD ARG 2 -16.754 1.451 -1.703
12 HE ARG 2 HE ARG 2 -15.908 4.166 -1.957
13 HH11 ARG 2 1HH1 ARG 2 -18.294 1.855 -2.996
14 HH12 ARG 2 2HH1 ARG 2 -19.502 3.054 -3.319
15 HH21 ARG 2 1HH2 ARG 2 -17.490 5.754 -2.379
16 HH22 ARG 2 2HH2 ARG 2 -19.044 5.271 -2.969
17 H TYR 3 H TYR 3 -9.673 1.848 -1.505
18 HA TYR 3 HA TYR 3 -9.149 1.752 -4.325
19 HB2 TYR 3 1HB TYR 3 -9.362 4.142 -4.152
20 HB3 TYR 3 2HB TYR 3 -8.318 4.180 -2.729
21 HD1 TYR 3 2HD TYR 3 -8.080 2.811 -6.207
22 HD2 TYR 3 1HD TYR 3 -6.212 5.026 -3.091
23 HE1 TYR 3 2HE TYR 3 -6.109 3.150 -7.637
24 HE2 TYR 3 1HE TYR 3 -4.235 5.372 -4.513
25 HH TYR 3 HH TYR 3 -4.171 4.257 -7.870
26 H ARG 4 H ARG 4 -7.048 1.061 -4.808
27 HA ARG 4 HA ARG 4 -5.602 -0.028 -2.498
28 HB2 ARG 4 1HB ARG 4 -6.428 -1.484 -4.451
29 HB3 ARG 4 2HB ARG 4 -5.111 -0.751 -5.379
30 HG2 ARG 4 1HG ARG 4 -3.965 -1.611 -2.958
31 HG3 ARG 4 2HG ARG 4 -5.018 -2.920 -3.519
32 HD2 ARG 4 1HD ARG 4 -3.081 -1.553 -5.377
33 HD3 ARG 4 2HD ARG 4 -2.592 -2.902 -4.341
34 HE ARG 4 HE ARG 4 -4.902 -3.636 -5.759
35 HH11 ARG 4 1HH1 ARG 4 -1.527 -2.972 -6.288
36 HH12 ARG 4 2HH1 ARG 4 -1.402 -4.020 -7.665
37 HH21 ARG 4 1HH2 ARG 4 -4.751 -5.020 -7.565
38 HH22 ARG 4 2HH2 ARG 4 -3.239 -5.184 -8.389
39 H ARG 5 H ARG 5 -3.751 0.855 -1.875
40 HA ARG 5 HA ARG 5 -2.293 2.555 -3.790
41 HB2 ARG 5 1HB ARG 5 -2.124 2.831 -0.794
42 HB3 ARG 5 2HB ARG 5 -1.670 4.005 -2.038
43 HG2 ARG 5 1HG ARG 5 -4.317 3.706 -2.566
44 HG3 ARG 5 2HG ARG 5 -4.277 3.479 -0.811
45 HD2 ARG 5 1HD ARG 5 -4.635 5.836 -1.395
46 HD3 ARG 5 2HD ARG 5 -3.105 5.596 -0.540
47 HE ARG 5 HE ARG 5 -2.611 5.473 -3.295
48 HH11 ARG 5 1HH1 ARG 5 -3.564 7.766 -0.857
49 HH12 ARG 5 2HH1 ARG 5 -2.877 9.127 -1.682
50 HH21 ARG 5 1HH2 ARG 5 -1.703 7.254 -4.391
51 HH22 ARG 5 2HH2 ARG 5 -1.819 8.835 -3.692
52 H CYS 6 H CYS 6 0.027 2.612 -3.587
53 HA CYS 6 HA CYS 6 1.230 0.375 -2.130
54 HB2 CYS 6 1HB CYS 6 1.368 0.867 -5.094
55 HB3 CYS 6 2HB CYS 6 2.658 -0.011 -4.253
56 H ILE 7 H ILE 7 2.806 1.174 -0.924
57 HA ILE 7 HA ILE 7 4.287 3.524 -1.909
58 HB ILE 7 HB ILE 7 4.848 3.947 0.488
59 HG12 ILE 7 1HG1 ILE 7 2.583 2.094 1.183
60 HG13 ILE 7 2HG1 ILE 7 4.244 1.486 1.084
61 HG21 ILE 7 1HG2 ILE 7 2.966 5.046 -0.773
62 HG22 ILE 7 2HG2 ILE 7 1.878 3.904 0.015
63 HG23 ILE 7 3HG2 ILE 7 2.806 5.047 0.983
64 HD11 ILE 7 3HD1 ILE 7 4.251 1.993 3.273
65 HD12 ILE 7 1HD1 ILE 7 4.662 3.598 2.667
66 HD13 ILE 7 2HD1 ILE 7 2.995 3.220 3.107
67 HA PRO 8 HA PRO 8 8.034 1.235 -1.946
68 HB2 PRO 8 1HB PRO 8 9.845 3.179 -1.274
69 HB3 PRO 8 2HB PRO 8 9.027 3.108 -2.834
70 HG2 PRO 8 1HG PRO 8 8.351 4.730 -0.405
71 HG3 PRO 8 2HG PRO 8 8.411 5.236 -2.133
72 HD2 PRO 8 1HD PRO 8 6.086 4.689 -0.847
73 HD3 PRO 8 2HD PRO 8 6.330 4.346 -2.569
74 H GLY 9 H GLY 9 8.756 -0.214 -0.522
75 HA2 GLY 9 2HA GLY 9 8.847 0.542 2.323
76 HA3 GLY 9 3HA GLY 9 8.684 -1.099 1.715
77 H MET 10 H MET 10 10.468 -1.300 3.391
78 HA MET 10 HA MET 10 13.082 -0.548 2.295
79 HB2 MET 10 1HB MET 10 12.239 -0.173 4.779
80 HB3 MET 10 2HB MET 10 12.791 -1.845 4.965
81 HG2 MET 10 1HG MET 10 15.023 -1.281 4.373
82 HG3 MET 10 2HG MET 10 14.528 0.332 3.847
83 HE1 MET 10 3HE MET 10 15.695 2.334 6.230
84 HE2 MET 10 1HE MET 10 16.877 1.035 6.397
85 HE3 MET 10 2HE MET 10 16.169 1.384 4.821
86 H PHE 11 H PHE 11 11.026 -3.258 2.928
87 HA PHE 11 HA PHE 11 13.184 -5.081 2.086
88 HB2 PHE 11 1HB PHE 11 10.718 -5.842 3.671
89 HB3 PHE 11 2HB PHE 11 12.134 -6.843 3.342
90 HD1 PHE 11 1HD PHE 11 14.371 -5.109 3.945
91 HD2 PHE 11 2HD PHE 11 10.648 -5.533 5.963
92 HE1 PHE 11 1HE PHE 11 15.423 -4.349 6.036
93 HE2 PHE 11 2HE PHE 11 11.693 -4.774 8.057
94 HZ PHE 11 HZ PHE 11 14.084 -4.181 8.096
95 H ARG 12 H ARG 12 9.755 -4.292 1.786
96 HA ARG 12 HA ARG 12 9.745 -5.269 -0.930
97 HB2 ARG 12 1HB ARG 12 7.599 -6.628 -0.390
98 HB3 ARG 12 2HB ARG 12 9.182 -7.350 -0.072
99 HG2 ARG 12 1HG ARG 12 9.011 -6.897 2.272
100 HG3 ARG 12 2HG ARG 12 7.530 -5.959 2.021
101 HD2 ARG 12 1HD ARG 12 7.193 -8.560 0.861
102 HD3 ARG 12 2HD ARG 12 7.779 -8.728 2.521
103 HE ARG 12 HE ARG 12 5.644 -6.849 2.342
104 HH11 ARG 12 1HH1 ARG 12 6.380 -10.250 2.442
105 HH12 ARG 12 2HH1 ARG 12 4.843 -10.695 3.108
106 HH21 ARG 12 1HH2 ARG 12 3.617 -7.424 3.221
107 HH22 ARG 12 2HH2 ARG 12 3.273 -9.088 3.551
108 H ALA 13 H ALA 13 7.549 -4.902 -1.952
109 HA ALA 13 HA ALA 13 6.764 -2.234 -1.564
110 HB1 ALA 13 1HB ALA 13 4.840 -2.863 -3.081
111 HB2 ALA 13 2HB ALA 13 6.459 -3.167 -3.711
112 HB3 ALA 13 3HB ALA 13 5.495 -4.501 -3.080
113 H TYR 14 H TYR 14 5.373 -1.314 -0.203
114 HA TYR 14 HA TYR 14 3.636 -3.068 1.397
115 HB2 TYR 14 1HB TYR 14 5.444 -1.508 2.438
116 HB3 TYR 14 2HB TYR 14 4.279 -0.224 2.116
117 HD1 TYR 14 1HD TYR 14 1.807 -0.741 2.949
118 HD2 TYR 14 2HD TYR 14 5.331 -2.539 4.516
119 HE1 TYR 14 1HE TYR 14 0.607 -1.263 5.033
120 HE2 TYR 14 2HE TYR 14 4.141 -3.066 6.604
121 HH TYR 14 HH TYR 14 0.689 -2.494 6.946
122 H CYS 15 H CYS 15 1.756 -3.189 0.281
123 HA CYS 15 HA CYS 15 0.514 -0.691 -0.636
124 HB2 CYS 15 1HB CYS 15 -0.229 -3.555 -1.259
125 HB3 CYS 15 2HB CYS 15 -0.955 -2.110 -1.985
126 H TYR 16 H TYR 16 -1.776 -0.376 -0.254
127 HA TYR 16 HA TYR 16 -3.031 -1.926 1.846
128 HB2 TYR 16 1HB TYR 16 -3.452 0.112 3.251
129 HB3 TYR 16 2HB TYR 16 -1.772 -0.430 3.229
130 HD1 TYR 16 2HD TYR 16 -0.036 0.869 2.127
131 HD2 TYR 16 1HD TYR 16 -4.073 2.215 2.176
132 HE1 TYR 16 2HE TYR 16 0.706 3.106 1.425
133 HE2 TYR 16 1HE TYR 16 -3.341 4.454 1.474
134 HH TYR 16 HH TYR 16 -1.110 5.315 0.098
135 H MET 17 H MET 17 -5.218 -0.805 2.433
136 HA MET 17 HA MET 17 -6.450 0.002 -0.112
137 HB2 MET 17 1HB MET 17 -7.403 -1.571 2.245
138 HB3 MET 17 2HB MET 17 -8.589 -0.647 1.309
139 HG2 MET 17 1HG MET 17 -7.817 -1.814 -0.748
140 HG3 MET 17 2HG MET 17 -6.772 -2.806 0.271
141 HE1 MET 17 3HE MET 17 -9.864 -3.675 -1.672
142 HE2 MET 17 1HE MET 17 -11.154 -3.194 -0.570
143 HE3 MET 17 2HE MET 17 -9.991 -1.996 -1.143
144 H ASP 18 H ASP 18 -6.191 2.206 -0.059
145 HA ASP 18 HA ASP 18 -6.760 3.774 2.264
146 HB2 ASP 18 1HB ASP 18 -5.142 4.557 0.623
147 HB3 ASP 18 2HB ASP 18 -6.391 4.575 -0.630
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -8.927 3.086 2.754
2 HA2 GLY 1 2HA GLY 1 -11.199 2.795 2.615
3 HA3 GLY 1 3HA GLY 1 -11.185 4.189 1.547
4 H ARG 2 H ARG 2 -11.988 3.854 -0.408
5 HA ARG 2 HA ARG 2 -12.247 1.104 -1.370
6 HB2 ARG 2 1HB ARG 2 -13.616 3.698 -1.996
7 HB3 ARG 2 2HB ARG 2 -13.658 2.380 -3.174
8 HG2 ARG 2 1HG ARG 2 -15.560 1.870 -2.061
9 HG3 ARG 2 2HG ARG 2 -14.412 1.009 -1.022
10 HD2 ARG 2 1HD ARG 2 -15.030 3.882 -0.450
11 HD3 ARG 2 2HD ARG 2 -16.191 2.630 0.013
12 HE ARG 2 HE ARG 2 -13.689 1.834 0.942
13 HH11 ARG 2 1HH1 ARG 2 -15.995 4.386 1.481
14 HH12 ARG 2 2HH1 ARG 2 -15.540 4.626 3.136
15 HH21 ARG 2 1HH2 ARG 2 -13.082 2.139 3.119
16 HH22 ARG 2 2HH2 ARG 2 -13.883 3.346 4.066
17 H TYR 3 H TYR 3 -9.673 1.845 -1.507
18 HA TYR 3 HA TYR 3 -9.149 1.742 -4.327
19 HB2 TYR 3 1HB TYR 3 -9.363 4.132 -4.160
20 HB3 TYR 3 2HB TYR 3 -8.320 4.176 -2.736
21 HD1 TYR 3 2HD TYR 3 -8.079 2.799 -6.210
22 HD2 TYR 3 1HD TYR 3 -6.214 5.021 -3.098
23 HE1 TYR 3 2HE TYR 3 -6.107 3.136 -7.640
24 HE2 TYR 3 1HE TYR 3 -4.238 5.365 -4.520
25 HH TYR 3 HH TYR 3 -3.403 5.160 -6.594
26 H ARG 4 H ARG 4 -7.047 1.052 -4.808
27 HA ARG 4 HA ARG 4 -5.603 -0.030 -2.497
28 HB2 ARG 4 1HB ARG 4 -6.419 -1.505 -4.421
29 HB3 ARG 4 2HB ARG 4 -5.139 -0.754 -5.383
30 HG2 ARG 4 1HG ARG 4 -3.431 -1.691 -4.083
31 HG3 ARG 4 2HG ARG 4 -4.547 -2.087 -2.766
32 HD2 ARG 4 1HD ARG 4 -5.711 -3.667 -4.369
33 HD3 ARG 4 2HD ARG 4 -4.354 -3.394 -5.470
34 HE ARG 4 HE ARG 4 -3.242 -4.136 -3.053
35 HH11 ARG 4 1HH1 ARG 4 -5.409 -5.519 -5.401
36 HH12 ARG 4 2HH1 ARG 4 -4.935 -7.154 -5.067
37 HH21 ARG 4 1HH2 ARG 4 -2.612 -6.282 -2.604
38 HH22 ARG 4 2HH2 ARG 4 -3.347 -7.585 -3.476
39 H ARG 5 H ARG 5 -3.746 0.847 -1.876
40 HA ARG 5 HA ARG 5 -2.291 2.548 -3.794
41 HB2 ARG 5 1HB ARG 5 -2.122 2.830 -0.798
42 HB3 ARG 5 2HB ARG 5 -1.669 4.002 -2.045
43 HG2 ARG 5 1HG ARG 5 -4.315 3.706 -2.576
44 HG3 ARG 5 2HG ARG 5 -4.279 3.474 -0.819
45 HD2 ARG 5 1HD ARG 5 -4.636 5.831 -1.395
46 HD3 ARG 5 2HD ARG 5 -3.103 5.591 -0.545
47 HE ARG 5 HE ARG 5 -2.657 5.481 -3.323
48 HH11 ARG 5 1HH1 ARG 5 -3.462 7.742 -0.800
49 HH12 ARG 5 2HH1 ARG 5 -2.745 9.097 -1.606
50 HH21 ARG 5 1HH2 ARG 5 -1.708 7.260 -4.393
51 HH22 ARG 5 2HH2 ARG 5 -1.748 8.821 -3.650
52 H CYS 6 H CYS 6 0.029 2.606 -3.589
53 HA CYS 6 HA CYS 6 1.233 0.374 -2.126
54 HB2 CYS 6 1HB CYS 6 1.375 0.859 -5.089
55 HB3 CYS 6 2HB CYS 6 2.663 -0.018 -4.246
56 H ILE 7 H ILE 7 2.806 1.177 -0.919
57 HA ILE 7 HA ILE 7 4.287 3.523 -1.909
58 HB ILE 7 HB ILE 7 4.848 3.951 0.488
59 HG12 ILE 7 1HG1 ILE 7 2.562 2.183 1.261
60 HG13 ILE 7 2HG1 ILE 7 4.158 1.453 1.021
61 HG21 ILE 7 1HG2 ILE 7 2.971 5.054 -0.770
62 HG22 ILE 7 2HG2 ILE 7 1.878 3.907 0.003
63 HG23 ILE 7 3HG2 ILE 7 2.800 5.046 0.985
64 HD11 ILE 7 3HD1 ILE 7 5.124 2.796 2.732
65 HD12 ILE 7 1HD1 ILE 7 3.654 3.758 2.881
66 HD13 ILE 7 2HD1 ILE 7 3.655 2.065 3.377
67 HA PRO 8 HA PRO 8 8.037 1.238 -1.943
68 HB2 PRO 8 1HB PRO 8 9.845 3.183 -1.275
69 HB3 PRO 8 2HB PRO 8 9.027 3.110 -2.834
70 HG2 PRO 8 1HG PRO 8 8.351 4.738 -0.406
71 HG3 PRO 8 2HG PRO 8 8.410 5.241 -2.136
72 HD2 PRO 8 1HD PRO 8 6.084 4.692 -0.849
73 HD3 PRO 8 2HD PRO 8 6.330 4.347 -2.569
74 H GLY 9 H GLY 9 8.759 -0.208 -0.517
75 HA2 GLY 9 2HA GLY 9 8.852 0.554 2.327
76 HA3 GLY 9 3HA GLY 9 8.685 -1.088 1.722
77 H MET 10 H MET 10 10.468 -1.315 3.384
78 HA MET 10 HA MET 10 13.084 -0.559 2.292
79 HB2 MET 10 1HB MET 10 12.241 -0.189 4.777
80 HB3 MET 10 2HB MET 10 12.792 -1.864 4.958
81 HG2 MET 10 1HG MET 10 14.828 -1.067 5.336
82 HG3 MET 10 2HG MET 10 14.873 -0.614 3.631
83 HE1 MET 10 3HE MET 10 12.490 1.591 3.691
84 HE2 MET 10 1HE MET 10 13.413 3.082 3.869
85 HE3 MET 10 2HE MET 10 13.966 1.831 2.756
86 H PHE 11 H PHE 11 11.024 -3.266 2.928
87 HA PHE 11 HA PHE 11 13.177 -5.092 2.076
88 HB2 PHE 11 1HB PHE 11 10.711 -5.850 3.659
89 HB3 PHE 11 2HB PHE 11 12.126 -6.854 3.329
90 HD1 PHE 11 1HD PHE 11 14.417 -5.407 4.010
91 HD2 PHE 11 2HD PHE 11 10.594 -5.263 5.877
92 HE1 PHE 11 1HE PHE 11 15.471 -4.655 6.103
93 HE2 PHE 11 2HE PHE 11 11.642 -4.510 7.971
94 HZ PHE 11 HZ PHE 11 14.083 -4.204 8.086
95 H ARG 12 H ARG 12 9.749 -4.297 1.784
96 HA ARG 12 HA ARG 12 9.731 -5.270 -0.935
97 HB2 ARG 12 1HB ARG 12 7.581 -6.622 -0.396
98 HB3 ARG 12 2HB ARG 12 9.163 -7.351 -0.076
99 HG2 ARG 12 1HG ARG 12 8.991 -6.891 2.271
100 HG3 ARG 12 2HG ARG 12 7.512 -5.952 2.013
101 HD2 ARG 12 1HD ARG 12 6.338 -7.816 2.360
102 HD3 ARG 12 2HD ARG 12 7.006 -8.435 0.844
103 HE ARG 12 HE ARG 12 8.854 -8.873 2.923
104 HH11 ARG 12 1HH1 ARG 12 5.761 -9.986 1.776
105 HH12 ARG 12 2HH1 ARG 12 5.939 -11.576 2.442
106 HH21 ARG 12 1HH2 ARG 12 9.102 -10.963 3.805
107 HH22 ARG 12 2HH2 ARG 12 7.840 -12.129 3.597
108 H ALA 13 H ALA 13 7.537 -4.893 -1.954
109 HA ALA 13 HA ALA 13 6.761 -2.224 -1.560
110 HB1 ALA 13 1HB ALA 13 6.479 -3.896 -3.597
111 HB2 ALA 13 2HB ALA 13 4.873 -4.083 -2.894
112 HB3 ALA 13 3HB ALA 13 5.437 -2.489 -3.392
113 H TYR 14 H TYR 14 5.384 -1.309 -0.185
114 HA TYR 14 HA TYR 14 3.639 -3.059 1.407
115 HB2 TYR 14 1HB TYR 14 5.445 -1.496 2.447
116 HB3 TYR 14 2HB TYR 14 4.277 -0.213 2.122
117 HD1 TYR 14 1HD TYR 14 1.808 -0.729 2.960
118 HD2 TYR 14 2HD TYR 14 5.332 -2.529 4.522
119 HE1 TYR 14 1HE TYR 14 0.611 -1.251 5.044
120 HE2 TYR 14 2HE TYR 14 4.144 -3.056 6.609
121 HH TYR 14 HH TYR 14 1.061 -1.747 7.351
122 H CYS 15 H CYS 15 1.762 -3.186 0.288
123 HA CYS 15 HA CYS 15 0.517 -0.692 -0.633
124 HB2 CYS 15 1HB CYS 15 -0.223 -3.559 -1.247
125 HB3 CYS 15 2HB CYS 15 -0.952 -2.119 -1.978
126 H TYR 16 H TYR 16 -1.774 -0.377 -0.251
127 HA TYR 16 HA TYR 16 -3.027 -1.922 1.851
128 HB2 TYR 16 1HB TYR 16 -3.449 0.117 3.252
129 HB3 TYR 16 2HB TYR 16 -1.770 -0.425 3.232
130 HD1 TYR 16 2HD TYR 16 -0.036 0.870 2.119
131 HD2 TYR 16 1HD TYR 16 -4.070 2.221 2.183
132 HE1 TYR 16 2HE TYR 16 0.708 3.107 1.414
133 HE2 TYR 16 1HE TYR 16 -3.337 4.460 1.476
134 HH TYR 16 HH TYR 16 -0.264 5.535 1.666
135 H MET 17 H MET 17 -5.215 -0.801 2.436
136 HA MET 17 HA MET 17 -6.448 -0.001 -0.110
137 HB2 MET 17 1HB MET 17 -7.400 -1.566 2.250
138 HB3 MET 17 2HB MET 17 -8.587 -0.645 1.312
139 HG2 MET 17 1HG MET 17 -6.689 -2.635 0.074
140 HG3 MET 17 2HG MET 17 -8.305 -3.050 0.654
141 HE1 MET 17 3HE MET 17 -10.453 -2.921 -1.399
142 HE2 MET 17 1HE MET 17 -9.424 -3.290 -2.783
143 HE3 MET 17 2HE MET 17 -9.069 -3.999 -1.209
144 H ASP 18 H ASP 18 -6.190 2.204 -0.064
145 HA ASP 18 HA ASP 18 -6.757 3.777 2.256
146 HB2 ASP 18 1HB ASP 18 -5.140 4.557 0.612
147 HB3 ASP 18 2HB ASP 18 -6.391 4.571 -0.641
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -8.931 3.081 2.752
2 HA2 GLY 1 2HA GLY 1 -11.203 2.794 2.612
3 HA3 GLY 1 3HA GLY 1 -11.187 4.189 1.543
4 H ARG 2 H ARG 2 -11.985 3.853 -0.413
5 HA ARG 2 HA ARG 2 -12.246 1.103 -1.374
6 HB2 ARG 2 1HB ARG 2 -13.612 3.697 -1.999
7 HB3 ARG 2 2HB ARG 2 -13.654 2.378 -3.180
8 HG2 ARG 2 1HG ARG 2 -14.594 0.896 -1.401
9 HG3 ARG 2 2HG ARG 2 -14.709 2.328 -0.365
10 HD2 ARG 2 1HD ARG 2 -16.042 2.012 -3.064
11 HD3 ARG 2 2HD ARG 2 -16.835 1.819 -1.494
12 HE ARG 2 HE ARG 2 -15.714 4.326 -1.435
13 HH11 ARG 2 1HH1 ARG 2 -18.005 2.646 -3.444
14 HH12 ARG 2 2HH1 ARG 2 -18.884 4.079 -3.866
15 HH21 ARG 2 1HH2 ARG 2 -16.863 6.219 -1.980
16 HH22 ARG 2 2HH2 ARG 2 -18.233 6.110 -3.032
17 H TYR 3 H TYR 3 -9.671 1.844 -1.507
18 HA TYR 3 HA TYR 3 -9.144 1.740 -4.327
19 HB2 TYR 3 1HB TYR 3 -9.359 4.130 -4.158
20 HB3 TYR 3 2HB TYR 3 -8.314 4.173 -2.738
21 HD1 TYR 3 1HD TYR 3 -8.078 2.792 -6.210
22 HD2 TYR 3 2HD TYR 3 -6.208 5.016 -3.104
23 HE1 TYR 3 1HE TYR 3 -6.108 3.128 -7.645
24 HE2 TYR 3 2HE TYR 3 -4.234 5.359 -4.529
25 HH TYR 3 HH TYR 3 -3.357 5.086 -6.557
26 H ARG 4 H ARG 4 -7.043 1.048 -4.807
27 HA ARG 4 HA ARG 4 -5.598 -0.033 -2.492
28 HB2 ARG 4 1HB ARG 4 -6.428 -1.483 -4.452
29 HB3 ARG 4 2HB ARG 4 -5.087 -0.769 -5.363
30 HG2 ARG 4 1HG ARG 4 -3.485 -1.637 -3.750
31 HG3 ARG 4 2HG ARG 4 -4.812 -2.316 -2.794
32 HD2 ARG 4 1HD ARG 4 -5.106 -4.074 -4.185
33 HD3 ARG 4 2HD ARG 4 -4.805 -3.095 -5.627
34 HE ARG 4 HE ARG 4 -2.380 -3.401 -4.279
35 HH11 ARG 4 1HH1 ARG 4 -4.711 -5.338 -5.991
36 HH12 ARG 4 2HH1 ARG 4 -3.545 -6.505 -6.522
37 HH21 ARG 4 1HH2 ARG 4 -0.836 -4.930 -4.973
38 HH22 ARG 4 2HH2 ARG 4 -1.341 -6.273 -5.940
39 H ARG 5 H ARG 5 -3.748 0.855 -1.870
40 HA ARG 5 HA ARG 5 -2.290 2.547 -3.793
41 HB2 ARG 5 1HB ARG 5 -2.121 2.834 -0.799
42 HB3 ARG 5 2HB ARG 5 -1.666 4.004 -2.046
43 HG2 ARG 5 1HG ARG 5 -4.315 3.703 -2.574
44 HG3 ARG 5 2HG ARG 5 -4.274 3.483 -0.816
45 HD2 ARG 5 1HD ARG 5 -4.632 5.836 -1.410
46 HD3 ARG 5 2HD ARG 5 -3.102 5.601 -0.555
47 HE ARG 5 HE ARG 5 -2.540 5.459 -3.271
48 HH11 ARG 5 1HH1 ARG 5 -3.748 7.793 -0.990
49 HH12 ARG 5 2HH1 ARG 5 -3.122 9.156 -1.854
50 HH21 ARG 5 1HH2 ARG 5 -1.711 7.245 -4.421
51 HH22 ARG 5 2HH2 ARG 5 -1.965 8.844 -3.808
52 H CYS 6 H CYS 6 0.030 2.606 -3.589
53 HA CYS 6 HA CYS 6 1.234 0.374 -2.124
54 HB2 CYS 6 1HB CYS 6 1.374 0.857 -5.088
55 HB3 CYS 6 2HB CYS 6 2.662 -0.020 -4.246
56 H ILE 7 H ILE 7 2.808 1.178 -0.920
57 HA ILE 7 HA ILE 7 4.290 3.523 -1.914
58 HB ILE 7 HB ILE 7 4.852 3.954 0.483
59 HG12 ILE 7 1HG1 ILE 7 2.556 2.228 1.293
60 HG13 ILE 7 2HG1 ILE 7 4.116 1.443 0.994
61 HG21 ILE 7 1HG2 ILE 7 1.881 3.917 0.022
62 HG22 ILE 7 2HG2 ILE 7 2.822 5.068 0.966
63 HG23 ILE 7 3HG2 ILE 7 2.966 5.044 -0.790
64 HD11 ILE 7 3HD1 ILE 7 3.949 3.810 2.805
65 HD12 ILE 7 1HD1 ILE 7 3.547 2.195 3.386
66 HD13 ILE 7 2HD1 ILE 7 5.157 2.528 2.748
67 HA PRO 8 HA PRO 8 8.039 1.238 -1.942
68 HB2 PRO 8 1HB PRO 8 9.848 3.180 -1.276
69 HB3 PRO 8 2HB PRO 8 9.030 3.107 -2.835
70 HG2 PRO 8 1HG PRO 8 8.353 4.735 -0.410
71 HG3 PRO 8 2HG PRO 8 8.414 5.239 -2.141
72 HD2 PRO 8 1HD PRO 8 6.088 4.693 -0.855
73 HD3 PRO 8 2HD PRO 8 6.333 4.346 -2.575
74 H GLY 9 H GLY 9 8.760 -0.208 -0.515
75 HA2 GLY 9 2HA GLY 9 8.851 0.556 2.328
76 HA3 GLY 9 3HA GLY 9 8.686 -1.086 1.726
77 H MET 10 H MET 10 10.467 -1.324 3.380
78 HA MET 10 HA MET 10 13.084 -0.561 2.294
79 HB2 MET 10 1HB MET 10 12.237 -0.198 4.779
80 HB3 MET 10 2HB MET 10 12.789 -1.871 4.959
81 HG2 MET 10 1HG MET 10 14.997 -1.341 4.680
82 HG3 MET 10 2HG MET 10 14.633 0.067 3.680
83 HE1 MET 10 3HE MET 10 15.340 -1.219 7.309
84 HE2 MET 10 1HE MET 10 16.609 -0.542 6.288
85 HE3 MET 10 2HE MET 10 16.115 0.300 7.756
86 H PHE 11 H PHE 11 11.023 -3.269 2.919
87 HA PHE 11 HA PHE 11 13.174 -5.093 2.063
88 HB2 PHE 11 1HB PHE 11 10.717 -5.854 3.654
89 HB3 PHE 11 2HB PHE 11 12.129 -6.859 3.317
90 HD1 PHE 11 1HD PHE 11 14.390 -6.081 4.249
91 HD2 PHE 11 2HD PHE 11 10.641 -4.602 5.618
92 HE1 PHE 11 1HE PHE 11 15.452 -5.332 6.338
93 HE2 PHE 11 2HE PHE 11 11.697 -3.850 7.709
94 HZ PHE 11 HZ PHE 11 14.106 -4.214 8.071
95 H ARG 12 H ARG 12 9.746 -4.300 1.783
96 HA ARG 12 HA ARG 12 9.722 -5.274 -0.936
97 HB2 ARG 12 1HB ARG 12 7.569 -6.620 -0.389
98 HB3 ARG 12 2HB ARG 12 9.148 -7.352 -0.070
99 HG2 ARG 12 1HG ARG 12 8.953 -7.129 2.229
100 HG3 ARG 12 2HG ARG 12 7.725 -5.859 2.092
101 HD2 ARG 12 1HD ARG 12 7.010 -8.488 0.925
102 HD3 ARG 12 2HD ARG 12 7.161 -8.424 2.687
103 HE ARG 12 HE ARG 12 5.570 -6.283 1.653
104 HH11 ARG 12 1HH1 ARG 12 5.535 -9.642 2.574
105 HH12 ARG 12 2HH1 ARG 12 3.837 -9.665 2.912
106 HH21 ARG 12 1HH2 ARG 12 3.333 -6.303 2.097
107 HH22 ARG 12 2HH2 ARG 12 2.583 -7.766 2.640
108 H ALA 13 H ALA 13 7.527 -4.895 -1.952
109 HA ALA 13 HA ALA 13 6.760 -2.221 -1.559
110 HB1 ALA 13 1HB ALA 13 4.832 -4.030 -2.885
111 HB2 ALA 13 2HB ALA 13 5.487 -2.477 -3.413
112 HB3 ALA 13 3HB ALA 13 6.452 -3.945 -3.580
113 H TYR 14 H TYR 14 5.391 -1.304 -0.178
114 HA TYR 14 HA TYR 14 3.643 -3.051 1.414
115 HB2 TYR 14 1HB TYR 14 5.446 -1.480 2.448
116 HB3 TYR 14 2HB TYR 14 4.276 -0.201 2.121
117 HD1 TYR 14 1HD TYR 14 1.804 -0.732 2.957
118 HD2 TYR 14 2HD TYR 14 5.342 -2.497 4.532
119 HE1 TYR 14 1HE TYR 14 0.608 -1.250 5.042
120 HE2 TYR 14 2HE TYR 14 4.154 -3.021 6.622
121 HH TYR 14 HH TYR 14 2.043 -3.228 7.539
122 H CYS 15 H CYS 15 1.765 -3.182 0.297
123 HA CYS 15 HA CYS 15 0.516 -0.689 -0.630
124 HB2 CYS 15 1HB CYS 15 -0.220 -3.557 -1.244
125 HB3 CYS 15 2HB CYS 15 -0.949 -2.119 -1.973
126 H TYR 16 H TYR 16 -1.774 -0.376 -0.250
127 HA TYR 16 HA TYR 16 -3.028 -1.922 1.854
128 HB2 TYR 16 1HB TYR 16 -3.453 0.117 3.253
129 HB3 TYR 16 2HB TYR 16 -1.772 -0.425 3.235
130 HD1 TYR 16 1HD TYR 16 -0.035 0.873 2.132
131 HD2 TYR 16 2HD TYR 16 -4.071 2.219 2.174
132 HE1 TYR 16 1HE TYR 16 0.709 3.108 1.427
133 HE2 TYR 16 2HE TYR 16 -3.337 4.458 1.467
134 HH TYR 16 HH TYR 16 -0.630 5.153 0.076
135 H MET 17 H MET 17 -5.216 -0.801 2.438
136 HA MET 17 HA MET 17 -6.447 -0.001 -0.109
137 HB2 MET 17 1HB MET 17 -7.402 -1.569 2.250
138 HB3 MET 17 2HB MET 17 -8.587 -0.648 1.311
139 HG2 MET 17 1HG MET 17 -6.687 -2.635 0.075
140 HG3 MET 17 2HG MET 17 -8.301 -3.052 0.653
141 HE1 MET 17 3HE MET 17 -10.317 -2.740 -2.292
142 HE2 MET 17 1HE MET 17 -9.875 -3.505 -0.766
143 HE3 MET 17 2HE MET 17 -10.701 -1.948 -0.765
144 H ASP 18 H ASP 18 -6.189 2.203 -0.061
145 HA ASP 18 HA ASP 18 -6.761 3.776 2.258
146 HB2 ASP 18 1HB ASP 18 -5.142 4.557 0.618
147 HB3 ASP 18 2HB ASP 18 -6.390 4.572 -0.635
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -8.922 3.092 2.751
2 HA2 GLY 1 2HA GLY 1 -11.193 2.797 2.616
3 HA3 GLY 1 3HA GLY 1 -11.181 4.189 1.545
4 H ARG 2 H ARG 2 -11.983 3.850 -0.409
5 HA ARG 2 HA ARG 2 -12.244 1.099 -1.366
6 HB2 ARG 2 1HB ARG 2 -13.612 3.693 -1.994
7 HB3 ARG 2 2HB ARG 2 -13.656 2.372 -3.172
8 HG2 ARG 2 1HG ARG 2 -14.373 1.670 -0.387
9 HG3 ARG 2 2HG ARG 2 -15.507 2.704 -1.273
10 HD2 ARG 2 1HD ARG 2 -16.245 0.524 -1.726
11 HD3 ARG 2 2HD ARG 2 -15.323 0.992 -3.162
12 HE ARG 2 HE ARG 2 -13.665 -0.345 -1.285
13 HH11 ARG 2 1HH1 ARG 2 -16.134 -0.887 -3.676
14 HH12 ARG 2 2HH1 ARG 2 -15.622 -2.504 -4.028
15 HH21 ARG 2 1HH2 ARG 2 -12.981 -2.473 -1.738
16 HH22 ARG 2 2HH2 ARG 2 -13.829 -3.406 -2.923
17 H TYR 3 H TYR 3 -9.670 1.840 -1.505
18 HA TYR 3 HA TYR 3 -9.147 1.731 -4.324
19 HB2 TYR 3 1HB TYR 3 -9.362 4.120 -4.164
20 HB3 TYR 3 2HB TYR 3 -8.318 4.167 -2.742
21 HD1 TYR 3 1HD TYR 3 -8.083 2.782 -6.213
22 HD2 TYR 3 2HD TYR 3 -6.210 5.007 -3.109
23 HE1 TYR 3 1HE TYR 3 -6.113 3.115 -7.649
24 HE2 TYR 3 2HE TYR 3 -4.236 5.349 -4.536
25 HH TYR 3 HH TYR 3 -4.177 5.033 -7.699
26 H ARG 4 H ARG 4 -7.044 1.040 -4.806
27 HA ARG 4 HA ARG 4 -5.598 -0.035 -2.492
28 HB2 ARG 4 1HB ARG 4 -6.421 -1.507 -4.427
29 HB3 ARG 4 2HB ARG 4 -5.116 -0.771 -5.370
30 HG2 ARG 4 1HG ARG 4 -4.255 -2.809 -4.570
31 HG3 ARG 4 2HG ARG 4 -3.535 -1.543 -3.560
32 HD2 ARG 4 1HD ARG 4 -4.651 -2.191 -1.686
33 HD3 ARG 4 2HD ARG 4 -6.080 -2.692 -2.600
34 HE ARG 4 HE ARG 4 -3.910 -4.347 -1.788
35 HH11 ARG 4 1HH1 ARG 4 -6.275 -3.879 -4.299
36 HH12 ARG 4 2HH1 ARG 4 -6.295 -5.545 -4.774
37 HH21 ARG 4 1HH2 ARG 4 -3.928 -6.543 -2.400
38 HH22 ARG 4 2HH2 ARG 4 -4.960 -7.061 -3.692
39 H ARG 5 H ARG 5 -3.741 0.842 -1.876
40 HA ARG 5 HA ARG 5 -2.287 2.538 -3.800
41 HB2 ARG 5 1HB ARG 5 -2.120 2.831 -0.806
42 HB3 ARG 5 2HB ARG 5 -1.664 3.997 -2.056
43 HG2 ARG 5 1HG ARG 5 -4.312 3.696 -2.583
44 HG3 ARG 5 2HG ARG 5 -4.273 3.479 -0.827
45 HD2 ARG 5 1HD ARG 5 -4.630 5.830 -1.424
46 HD3 ARG 5 2HD ARG 5 -3.101 5.597 -0.568
47 HE ARG 5 HE ARG 5 -2.440 5.451 -3.219
48 HH11 ARG 5 1HH1 ARG 5 -4.010 7.790 -1.173
49 HH12 ARG 5 2HH1 ARG 5 -3.468 9.153 -2.096
50 HH21 ARG 5 1HH2 ARG 5 -1.722 7.237 -4.442
51 HH22 ARG 5 2HH2 ARG 5 -2.167 8.837 -3.955
52 H CYS 6 H CYS 6 0.034 2.599 -3.594
53 HA CYS 6 HA CYS 6 1.237 0.370 -2.126
54 HB2 CYS 6 1HB CYS 6 1.378 0.850 -5.089
55 HB3 CYS 6 2HB CYS 6 2.666 -0.027 -4.245
56 H ILE 7 H ILE 7 2.812 1.176 -0.922
57 HA ILE 7 HA ILE 7 4.291 3.520 -1.918
58 HB ILE 7 HB ILE 7 4.849 3.958 0.477
59 HG12 ILE 7 1HG1 ILE 7 2.585 2.106 1.178
60 HG13 ILE 7 2HG1 ILE 7 4.248 1.503 1.086
61 HG21 ILE 7 1HG2 ILE 7 1.878 3.910 0.003
62 HG22 ILE 7 2HG2 ILE 7 2.808 5.061 0.963
63 HG23 ILE 7 3HG2 ILE 7 2.967 5.047 -0.795
64 HD11 ILE 7 3HD1 ILE 7 3.373 2.214 3.370
65 HD12 ILE 7 1HD1 ILE 7 4.959 2.810 2.877
66 HD13 ILE 7 2HD1 ILE 7 3.551 3.867 2.782
67 HA PRO 8 HA PRO 8 8.041 1.234 -1.937
68 HB2 PRO 8 1HB PRO 8 9.850 3.182 -1.274
69 HB3 PRO 8 2HB PRO 8 9.034 3.102 -2.834
70 HG2 PRO 8 1HG PRO 8 8.353 4.737 -0.414
71 HG3 PRO 8 2HG PRO 8 8.416 5.236 -2.146
72 HD2 PRO 8 1HD PRO 8 6.088 4.694 -0.861
73 HD3 PRO 8 2HD PRO 8 6.336 4.340 -2.580
74 H GLY 9 H GLY 9 8.762 -0.207 -0.504
75 HA2 GLY 9 2HA GLY 9 8.852 0.569 2.337
76 HA3 GLY 9 3HA GLY 9 8.682 -1.076 1.741
77 H MET 10 H MET 10 10.461 -1.331 3.384
78 HA MET 10 HA MET 10 13.080 -0.572 2.302
79 HB2 MET 10 1HB MET 10 12.237 -0.206 4.788
80 HB3 MET 10 2HB MET 10 12.781 -1.881 4.965
81 HG2 MET 10 1HG MET 10 14.879 -1.215 5.186
82 HG3 MET 10 2HG MET 10 14.806 -0.439 3.602
83 HE1 MET 10 3HE MET 10 16.644 0.614 6.086
84 HE2 MET 10 1HE MET 10 16.633 1.256 4.441
85 HE3 MET 10 2HE MET 10 16.431 2.345 5.814
86 H PHE 11 H PHE 11 11.009 -3.274 2.920
87 HA PHE 11 HA PHE 11 13.157 -5.103 2.071
88 HB2 PHE 11 1HB PHE 11 10.688 -5.856 3.647
89 HB3 PHE 11 2HB PHE 11 12.097 -6.866 3.316
90 HD1 PHE 11 1HD PHE 11 14.369 -5.262 3.957
91 HD2 PHE 11 2HD PHE 11 10.594 -5.446 5.915
92 HE1 PHE 11 1HE PHE 11 15.424 -4.519 6.054
93 HE2 PHE 11 2HE PHE 11 11.643 -4.703 8.014
94 HZ PHE 11 HZ PHE 11 14.061 -4.239 8.085
95 H ARG 12 H ARG 12 9.734 -4.294 1.774
96 HA ARG 12 HA ARG 12 9.719 -5.258 -0.948
97 HB2 ARG 12 1HB ARG 12 7.564 -6.608 -0.416
98 HB3 ARG 12 2HB ARG 12 9.142 -7.342 -0.097
99 HG2 ARG 12 1HG ARG 12 8.965 -6.977 2.235
100 HG3 ARG 12 2HG ARG 12 7.568 -5.912 2.022
101 HD2 ARG 12 1HD ARG 12 6.452 -7.809 2.615
102 HD3 ARG 12 2HD ARG 12 6.563 -8.085 0.873
103 HE ARG 12 HE ARG 12 8.815 -9.244 1.799
104 HH11 ARG 12 1HH1 ARG 12 5.465 -9.507 2.703
105 HH12 ARG 12 2HH1 ARG 12 5.598 -11.152 3.227
106 HH21 ARG 12 1HH2 ARG 12 9.005 -11.411 2.484
107 HH22 ARG 12 2HH2 ARG 12 7.614 -12.236 3.103
108 H ALA 13 H ALA 13 7.527 -4.873 -1.970
109 HA ALA 13 HA ALA 13 6.756 -2.203 -1.565
110 HB1 ALA 13 1HB ALA 13 5.896 -4.431 -3.278
111 HB2 ALA 13 2HB ALA 13 4.668 -3.203 -2.962
112 HB3 ALA 13 3HB ALA 13 6.212 -2.742 -3.680
113 H TYR 14 H TYR 14 5.402 -1.299 -0.162
114 HA TYR 14 HA TYR 14 3.646 -3.052 1.411
115 HB2 TYR 14 1HB TYR 14 5.448 -1.487 2.456
116 HB3 TYR 14 2HB TYR 14 4.279 -0.204 2.130
117 HD1 TYR 14 2HD TYR 14 1.817 -0.696 2.973
118 HD2 TYR 14 1HD TYR 14 5.320 -2.547 4.520
119 HE1 TYR 14 2HE TYR 14 0.615 -1.216 5.054
120 HE2 TYR 14 1HE TYR 14 4.129 -3.073 6.606
121 HH TYR 14 HH TYR 14 1.186 -3.317 7.031
122 H CYS 15 H CYS 15 1.770 -3.182 0.292
123 HA CYS 15 HA CYS 15 0.520 -0.691 -0.632
124 HB2 CYS 15 1HB CYS 15 -0.220 -3.559 -1.240
125 HB3 CYS 15 2HB CYS 15 -0.948 -2.120 -1.973
126 H TYR 16 H TYR 16 -1.770 -0.376 -0.248
127 HA TYR 16 HA TYR 16 -3.021 -1.918 1.859
128 HB2 TYR 16 1HB TYR 16 -3.444 0.124 3.256
129 HB3 TYR 16 2HB TYR 16 -1.762 -0.415 3.234
130 HD1 TYR 16 2HD TYR 16 -0.029 0.885 2.130
131 HD2 TYR 16 1HD TYR 16 -4.069 2.220 2.166
132 HE1 TYR 16 2HE TYR 16 0.710 3.120 1.419
133 HE2 TYR 16 1HE TYR 16 -3.342 4.460 1.454
134 HH TYR 16 HH TYR 16 -0.681 5.715 1.768
135 H MET 17 H MET 17 -5.209 -0.796 2.443
136 HA MET 17 HA MET 17 -6.444 -0.003 -0.104
137 HB2 MET 17 1HB MET 17 -7.393 -1.564 2.260
138 HB3 MET 17 2HB MET 17 -8.581 -0.644 1.324
139 HG2 MET 17 1HG MET 17 -7.809 -1.823 -0.730
140 HG3 MET 17 2HG MET 17 -6.766 -2.810 0.297
141 HE1 MET 17 3HE MET 17 -11.261 -3.196 -0.311
142 HE2 MET 17 1HE MET 17 -10.435 -1.637 -0.269
143 HE3 MET 17 2HE MET 17 -10.033 -2.814 -1.519
144 H ASP 18 H ASP 18 -6.186 2.203 -0.065
145 HA ASP 18 HA ASP 18 -6.753 3.784 2.251
146 HB2 ASP 18 1HB ASP 18 -5.137 4.558 0.603
147 HB3 ASP 18 2HB ASP 18 -6.388 4.566 -0.647
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -8.948 3.056 2.769
2 HA2 GLY 1 2HA GLY 1 -11.220 2.766 2.623
3 HA3 GLY 1 3HA GLY 1 -11.200 4.173 1.569
4 H ARG 2 H ARG 2 -11.988 3.860 -0.395
5 HA ARG 2 HA ARG 2 -12.265 1.122 -1.384
6 HB2 ARG 2 1HB ARG 2 -13.614 3.730 -1.991
7 HB3 ARG 2 2HB ARG 2 -13.661 2.421 -3.182
8 HG2 ARG 2 1HG ARG 2 -14.720 0.939 -1.573
9 HG3 ARG 2 2HG ARG 2 -14.618 2.203 -0.334
10 HD2 ARG 2 1HD ARG 2 -16.295 3.466 -1.265
11 HD3 ARG 2 2HD ARG 2 -15.970 2.865 -2.896
12 HE ARG 2 HE ARG 2 -16.904 0.687 -1.521
13 HH11 ARG 2 1HH1 ARG 2 -18.088 3.883 -2.233
14 HH12 ARG 2 2HH1 ARG 2 -19.754 3.409 -2.228
15 HH21 ARG 2 1HH2 ARG 2 -19.094 0.050 -1.511
16 HH22 ARG 2 2HH2 ARG 2 -20.326 1.228 -1.816
17 H TYR 3 H TYR 3 -9.683 1.858 -1.503
18 HA TYR 3 HA TYR 3 -9.148 1.768 -4.319
19 HB2 TYR 3 1HB TYR 3 -9.359 4.154 -4.156
20 HB3 TYR 3 2HB TYR 3 -8.336 4.197 -2.718
21 HD1 TYR 3 1HD TYR 3 -8.049 2.827 -6.192
22 HD2 TYR 3 2HD TYR 3 -6.224 5.041 -3.050
23 HE1 TYR 3 1HE TYR 3 -6.059 3.170 -7.597
24 HE2 TYR 3 2HE TYR 3 -4.230 5.391 -4.447
25 HH TYR 3 HH TYR 3 -3.946 5.367 -7.289
26 H ARG 4 H ARG 4 -7.048 1.071 -4.795
27 HA ARG 4 HA ARG 4 -5.602 0.003 -2.475
28 HB2 ARG 4 1HB ARG 4 -6.437 -1.505 -4.359
29 HB3 ARG 4 2HB ARG 4 -5.177 -0.766 -5.358
30 HG2 ARG 4 1HG ARG 4 -3.926 -1.565 -2.957
31 HG3 ARG 4 2HG ARG 4 -4.959 -2.906 -3.482
32 HD2 ARG 4 1HD ARG 4 -2.958 -1.484 -5.252
33 HD3 ARG 4 2HD ARG 4 -2.654 -3.005 -4.402
34 HE ARG 4 HE ARG 4 -4.161 -2.654 -6.810
35 HH11 ARG 4 1HH1 ARG 4 -3.778 -4.633 -3.970
36 HH12 ARG 4 2HH1 ARG 4 -4.454 -6.049 -4.707
37 HH21 ARG 4 1HH2 ARG 4 -5.051 -4.512 -7.790
38 HH22 ARG 4 2HH2 ARG 4 -5.177 -5.978 -6.880
39 H ARG 5 H ARG 5 -3.731 0.872 -1.884
40 HA ARG 5 HA ARG 5 -2.277 2.532 -3.840
41 HB2 ARG 5 1HB ARG 5 -2.131 2.870 -0.846
42 HB3 ARG 5 2HB ARG 5 -1.620 4.003 -2.106
43 HG2 ARG 5 1HG ARG 5 -4.344 3.595 -2.573
44 HG3 ARG 5 2HG ARG 5 -4.176 3.738 -0.815
45 HD2 ARG 5 1HD ARG 5 -2.667 5.696 -2.459
46 HD3 ARG 5 2HD ARG 5 -4.428 5.853 -2.438
47 HE ARG 5 HE ARG 5 -3.320 5.574 0.186
48 HH11 ARG 5 1HH1 ARG 5 -3.966 7.828 -2.387
49 HH12 ARG 5 2HH1 ARG 5 -4.024 9.208 -1.339
50 HH21 ARG 5 1HH2 ARG 5 -3.396 7.381 1.575
51 HH22 ARG 5 2HH2 ARG 5 -3.700 8.951 0.915
52 H CYS 6 H CYS 6 0.049 2.601 -3.612
53 HA CYS 6 HA CYS 6 1.236 0.372 -2.128
54 HB2 CYS 6 1HB CYS 6 1.411 0.844 -5.093
55 HB3 CYS 6 2HB CYS 6 2.679 -0.042 -4.231
56 H ILE 7 H ILE 7 2.804 1.177 -0.914
57 HA ILE 7 HA ILE 7 4.287 3.525 -1.896
58 HB ILE 7 HB ILE 7 4.854 3.935 0.503
59 HG12 ILE 7 1HG1 ILE 7 2.579 2.131 1.243
60 HG13 ILE 7 2HG1 ILE 7 4.199 1.442 1.038
61 HG21 ILE 7 1HG2 ILE 7 1.912 3.906 -0.163
62 HG22 ILE 7 2HG2 ILE 7 2.681 4.886 1.083
63 HG23 ILE 7 3HG2 ILE 7 3.064 5.162 -0.615
64 HD11 ILE 7 3HD1 ILE 7 3.527 3.697 2.913
65 HD12 ILE 7 1HD1 ILE 7 3.690 2.004 3.376
66 HD13 ILE 7 2HD1 ILE 7 5.084 2.884 2.751
67 HA PRO 8 HA PRO 8 8.040 1.247 -1.959
68 HB2 PRO 8 1HB PRO 8 9.848 3.190 -1.278
69 HB3 PRO 8 2HB PRO 8 9.024 3.128 -2.837
70 HG2 PRO 8 1HG PRO 8 8.353 4.734 -0.395
71 HG3 PRO 8 2HG PRO 8 8.406 5.253 -2.121
72 HD2 PRO 8 1HD PRO 8 6.085 4.689 -0.832
73 HD3 PRO 8 2HD PRO 8 6.326 4.359 -2.556
74 H GLY 9 H GLY 9 8.769 -0.208 -0.547
75 HA2 GLY 9 2HA GLY 9 8.885 0.537 2.303
76 HA3 GLY 9 3HA GLY 9 8.691 -1.098 1.694
77 H MET 10 H MET 10 10.497 -1.232 3.405
78 HA MET 10 HA MET 10 13.108 -0.565 2.249
79 HB2 MET 10 1HB MET 10 12.297 -0.130 4.736
80 HB3 MET 10 2HB MET 10 12.829 -1.805 4.949
81 HG2 MET 10 1HG MET 10 14.873 -1.013 5.297
82 HG3 MET 10 2HG MET 10 14.913 -0.622 3.575
83 HE1 MET 10 3HE MET 10 14.600 0.231 7.017
84 HE2 MET 10 1HE MET 10 15.734 1.577 6.925
85 HE3 MET 10 2HE MET 10 14.014 1.891 7.156
86 H PHE 11 H PHE 11 11.023 -3.231 2.963
87 HA PHE 11 HA PHE 11 13.151 -5.105 2.161
88 HB2 PHE 11 1HB PHE 11 10.646 -5.796 3.709
89 HB3 PHE 11 2HB PHE 11 12.050 -6.826 3.428
90 HD1 PHE 11 2HD PHE 11 14.356 -5.634 4.211
91 HD2 PHE 11 1HD PHE 11 10.483 -4.932 5.831
92 HE1 PHE 11 2HE PHE 11 15.379 -4.857 6.310
93 HE2 PHE 11 1HE PHE 11 11.501 -4.152 7.933
94 HZ PHE 11 HZ PHE 11 13.951 -4.116 8.174
95 H ARG 12 H ARG 12 9.745 -4.258 1.792
96 HA ARG 12 HA ARG 12 9.753 -5.240 -0.915
97 HB2 ARG 12 1HB ARG 12 7.591 -6.603 -0.370
98 HB3 ARG 12 2HB ARG 12 9.183 -7.331 -0.115
99 HG2 ARG 12 1HG ARG 12 7.753 -7.835 1.760
100 HG3 ARG 12 2HG ARG 12 9.054 -6.746 2.270
101 HD2 ARG 12 1HD ARG 12 7.645 -5.001 2.662
102 HD3 ARG 12 2HD ARG 12 6.548 -5.470 1.355
103 HE ARG 12 HE ARG 12 6.524 -7.261 3.612
104 HH11 ARG 12 1HH1 ARG 12 5.175 -4.376 2.207
105 HH12 ARG 12 2HH1 ARG 12 3.703 -4.464 3.116
106 HH21 ARG 12 1HH2 ARG 12 4.591 -7.387 4.815
107 HH22 ARG 12 2HH2 ARG 12 3.372 -6.177 4.601
108 H ALA 13 H ALA 13 7.569 -4.879 -1.957
109 HA ALA 13 HA ALA 13 6.759 -2.223 -1.567
110 HB1 ALA 13 1HB ALA 13 6.376 -2.978 -3.707
111 HB2 ALA 13 2HB ALA 13 5.694 -4.512 -3.161
112 HB3 ALA 13 3HB ALA 13 4.751 -3.027 -3.022
113 H TYR 14 H TYR 14 5.373 -1.317 -0.193
114 HA TYR 14 HA TYR 14 3.634 -3.081 1.391
115 HB2 TYR 14 1HB TYR 14 5.436 -1.523 2.446
116 HB3 TYR 14 2HB TYR 14 4.271 -0.237 2.122
117 HD1 TYR 14 2HD TYR 14 1.802 -0.738 2.953
118 HD2 TYR 14 1HD TYR 14 5.309 -2.581 4.509
119 HE1 TYR 14 2HE TYR 14 0.596 -1.265 5.032
120 HE2 TYR 14 1HE TYR 14 4.111 -3.114 6.590
121 HH TYR 14 HH TYR 14 1.241 -1.714 7.471
122 H CYS 15 H CYS 15 1.759 -3.201 0.271
123 HA CYS 15 HA CYS 15 0.514 -0.705 -0.646
124 HB2 CYS 15 1HB CYS 15 -0.233 -3.569 -1.262
125 HB3 CYS 15 2HB CYS 15 -0.955 -2.127 -1.993
126 H TYR 16 H TYR 16 -1.775 -0.385 -0.263
127 HA TYR 16 HA TYR 16 -3.031 -1.931 1.838
128 HB2 TYR 16 1HB TYR 16 -3.439 0.081 3.261
129 HB3 TYR 16 2HB TYR 16 -1.746 -0.421 3.201
130 HD1 TYR 16 2HD TYR 16 -0.127 0.848 1.763
131 HD2 TYR 16 1HD TYR 16 -4.071 2.252 2.522
132 HE1 TYR 16 2HE TYR 16 0.549 3.108 1.062
133 HE2 TYR 16 1HE TYR 16 -3.406 4.514 1.821
134 HH TYR 16 HH TYR 16 -0.222 5.474 1.481
135 H MET 17 H MET 17 -5.217 -0.808 2.425
136 HA MET 17 HA MET 17 -6.444 0.012 -0.118
137 HB2 MET 17 1HB MET 17 -7.405 -1.583 2.220
138 HB3 MET 17 2HB MET 17 -8.587 -0.658 1.281
139 HG2 MET 17 1HG MET 17 -7.807 -1.812 -0.774
140 HG3 MET 17 2HG MET 17 -6.747 -2.796 0.238
141 HE1 MET 17 3HE MET 17 -9.962 -1.960 -1.128
142 HE2 MET 17 1HE MET 17 -11.007 -3.345 -0.808
143 HE3 MET 17 2HE MET 17 -10.944 -2.007 0.339
144 H ASP 18 H ASP 18 -6.200 2.216 -0.047
145 HA ASP 18 HA ASP 18 -6.781 3.758 2.292
146 HB2 ASP 18 1HB ASP 18 -5.159 4.582 0.693
147 HB3 ASP 18 2HB ASP 18 -6.374 4.569 -0.592
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -8.965 3.127 2.716
2 HA2 GLY 1 2HA GLY 1 -11.248 2.975 2.533
3 HA3 GLY 1 3HA GLY 1 -11.107 4.319 1.409
4 H ARG 2 H ARG 2 -11.878 3.963 -0.555
5 HA ARG 2 HA ARG 2 -12.308 1.197 -1.415
6 HB2 ARG 2 1HB ARG 2 -13.528 3.840 -2.145
7 HB3 ARG 2 2HB ARG 2 -13.646 2.474 -3.267
8 HG2 ARG 2 1HG ARG 2 -15.142 1.365 -1.998
9 HG3 ARG 2 2HG ARG 2 -14.398 1.896 -0.480
10 HD2 ARG 2 1HD ARG 2 -15.513 3.962 -0.503
11 HD3 ARG 2 2HD ARG 2 -15.899 3.818 -2.224
12 HE ARG 2 HE ARG 2 -17.160 1.712 -0.916
13 HH11 ARG 2 1HH1 ARG 2 -17.282 5.190 -0.984
14 HH12 ARG 2 2HH1 ARG 2 -18.963 5.268 -0.568
15 HH21 ARG 2 1HH2 ARG 2 -19.373 1.802 -0.369
16 HH22 ARG 2 2HH2 ARG 2 -20.150 3.341 -0.217
17 H TYR 3 H TYR 3 -9.678 1.941 -1.534
18 HA TYR 3 HA TYR 3 -9.128 1.616 -4.334
19 HB2 TYR 3 1HB TYR 3 -9.333 4.017 -4.336
20 HB3 TYR 3 2HB TYR 3 -8.288 4.153 -2.921
21 HD1 TYR 3 1HD TYR 3 -8.062 2.530 -6.289
22 HD2 TYR 3 2HD TYR 3 -6.172 4.948 -3.341
23 HE1 TYR 3 1HE TYR 3 -6.090 2.746 -7.740
24 HE2 TYR 3 2HE TYR 3 -4.195 5.173 -4.785
25 HH TYR 3 HH TYR 3 -3.883 4.984 -7.523
26 H ARG 4 H ARG 4 -7.019 0.890 -4.741
27 HA ARG 4 HA ARG 4 -5.602 -0.021 -2.338
28 HB2 ARG 4 1HB ARG 4 -6.433 -1.615 -4.189
29 HB3 ARG 4 2HB ARG 4 -5.073 -0.988 -5.135
30 HG2 ARG 4 1HG ARG 4 -3.491 -1.761 -3.479
31 HG3 ARG 4 2HG ARG 4 -4.820 -2.297 -2.435
32 HD2 ARG 4 1HD ARG 4 -5.138 -4.201 -3.595
33 HD3 ARG 4 2HD ARG 4 -4.939 -3.379 -5.150
34 HE ARG 4 HE ARG 4 -2.788 -4.124 -5.191
35 HH11 ARG 4 1HH1 ARG 4 -3.874 -4.079 -1.884
36 HH12 ARG 4 2HH1 ARG 4 -2.419 -4.787 -1.261
37 HH21 ARG 4 1HH2 ARG 4 -0.869 -5.056 -4.384
38 HH22 ARG 4 2HH2 ARG 4 -0.711 -5.341 -2.682
39 H ARG 5 H ARG 5 -3.799 0.981 -1.760
40 HA ARG 5 HA ARG 5 -2.332 2.526 -3.793
41 HB2 ARG 5 1HB ARG 5 -2.185 2.893 -0.798
42 HB3 ARG 5 2HB ARG 5 -1.589 3.986 -2.054
43 HG2 ARG 5 1HG ARG 5 -4.142 4.000 -2.762
44 HG3 ARG 5 2HG ARG 5 -4.351 3.580 -1.055
45 HD2 ARG 5 1HD ARG 5 -3.782 5.640 -0.344
46 HD3 ARG 5 2HD ARG 5 -2.449 5.752 -1.500
47 HE ARG 5 HE ARG 5 -4.597 6.066 -3.083
48 HH11 ARG 5 1HH1 ARG 5 -3.654 7.558 -0.082
49 HH12 ARG 5 2HH1 ARG 5 -4.445 9.060 -0.430
50 HH21 ARG 5 1HH2 ARG 5 -5.640 8.040 -3.553
51 HH22 ARG 5 2HH2 ARG 5 -5.574 9.332 -2.404
52 H CYS 6 H CYS 6 0.013 2.629 -3.554
53 HA CYS 6 HA CYS 6 1.211 0.382 -2.110
54 HB2 CYS 6 1HB CYS 6 1.375 0.901 -5.068
55 HB3 CYS 6 2HB CYS 6 2.649 0.004 -4.223
56 H ILE 7 H ILE 7 2.780 1.174 -0.889
57 HA ILE 7 HA ILE 7 4.256 3.537 -1.842
58 HB ILE 7 HB ILE 7 4.820 3.923 0.562
59 HG12 ILE 7 1HG1 ILE 7 2.577 2.010 1.188
60 HG13 ILE 7 2HG1 ILE 7 4.266 1.475 1.154
61 HG21 ILE 7 1HG2 ILE 7 1.853 3.881 0.048
62 HG22 ILE 7 2HG2 ILE 7 2.747 4.979 1.098
63 HG23 ILE 7 3HG2 ILE 7 2.955 5.066 -0.652
64 HD11 ILE 7 3HD1 ILE 7 4.845 3.027 2.905
65 HD12 ILE 7 1HD1 ILE 7 3.204 3.673 2.912
66 HD13 ILE 7 2HD1 ILE 7 3.500 2.009 3.419
67 HA PRO 8 HA PRO 8 8.013 1.267 -1.922
68 HB2 PRO 8 1HB PRO 8 9.816 3.207 -1.220
69 HB3 PRO 8 2HB PRO 8 8.996 3.159 -2.781
70 HG2 PRO 8 1HG PRO 8 8.317 4.739 -0.323
71 HG3 PRO 8 2HG PRO 8 8.372 5.274 -2.043
72 HD2 PRO 8 1HD PRO 8 6.051 4.694 -0.763
73 HD3 PRO 8 2HD PRO 8 6.295 4.381 -2.491
74 H GLY 9 H GLY 9 8.742 -0.202 -0.523
75 HA2 GLY 9 2HA GLY 9 8.826 0.501 2.334
76 HA3 GLY 9 3HA GLY 9 8.687 -1.129 1.694
77 H MET 10 H MET 10 10.472 -1.314 3.387
78 HA MET 10 HA MET 10 13.078 -0.515 2.304
79 HB2 MET 10 1HB MET 10 12.221 -0.198 4.794
80 HB3 MET 10 2HB MET 10 12.798 -1.864 4.950
81 HG2 MET 10 1HG MET 10 14.733 -0.853 5.504
82 HG3 MET 10 2HG MET 10 14.929 -0.783 3.749
83 HE1 MET 10 3HE MET 10 16.675 1.134 3.926
84 HE2 MET 10 1HE MET 10 15.565 1.343 2.571
85 HE3 MET 10 2HE MET 10 16.023 2.732 3.556
86 H PHE 11 H PHE 11 11.062 -3.267 2.896
87 HA PHE 11 HA PHE 11 13.243 -5.038 2.013
88 HB2 PHE 11 1HB PHE 11 10.806 -5.865 3.602
89 HB3 PHE 11 2HB PHE 11 12.235 -6.837 3.250
90 HD1 PHE 11 1HD PHE 11 14.503 -5.926 4.136
91 HD2 PHE 11 2HD PHE 11 10.697 -4.742 5.627
92 HE1 PHE 11 1HE PHE 11 15.557 -5.183 6.230
93 HE2 PHE 11 2HE PHE 11 11.746 -3.996 7.724
94 HZ PHE 11 HZ PHE 11 14.179 -4.215 8.028
95 H ARG 12 H ARG 12 9.802 -4.304 1.753
96 HA ARG 12 HA ARG 12 9.786 -5.248 -0.978
97 HB2 ARG 12 1HB ARG 12 7.657 -6.637 -0.439
98 HB3 ARG 12 2HB ARG 12 9.251 -7.345 -0.134
99 HG2 ARG 12 1HG ARG 12 9.075 -6.776 2.238
100 HG3 ARG 12 2HG ARG 12 7.482 -6.062 1.936
101 HD2 ARG 12 1HD ARG 12 7.008 -8.456 0.879
102 HD3 ARG 12 2HD ARG 12 8.304 -8.918 1.993
103 HE ARG 12 HE ARG 12 6.855 -8.632 3.739
104 HH11 ARG 12 1HH1 ARG 12 5.567 -7.035 0.926
105 HH12 ARG 12 2HH1 ARG 12 4.044 -6.672 1.669
106 HH21 ARG 12 1HH2 ARG 12 4.855 -8.159 4.728
107 HH22 ARG 12 2HH2 ARG 12 3.640 -7.312 3.833
108 H ALA 13 H ALA 13 7.579 -4.895 -1.982
109 HA ALA 13 HA ALA 13 6.769 -2.242 -1.568
110 HB1 ALA 13 1HB ALA 13 5.058 -2.659 -3.202
111 HB2 ALA 13 2HB ALA 13 6.531 -3.498 -3.697
112 HB3 ALA 13 3HB ALA 13 5.203 -4.401 -2.970
113 H TYR 14 H TYR 14 5.298 -1.326 -0.274
114 HA TYR 14 HA TYR 14 3.611 -3.109 1.354
115 HB2 TYR 14 1HB TYR 14 5.430 -1.563 2.405
116 HB3 TYR 14 2HB TYR 14 4.256 -0.277 2.115
117 HD1 TYR 14 2HD TYR 14 1.802 -0.792 2.974
118 HD2 TYR 14 1HD TYR 14 5.328 -2.660 4.452
119 HE1 TYR 14 2HE TYR 14 0.623 -1.356 5.059
120 HE2 TYR 14 1HE TYR 14 4.159 -3.230 6.539
121 HH TYR 14 HH TYR 14 2.274 -2.579 7.830
122 H CYS 15 H CYS 15 1.728 -3.210 0.244
123 HA CYS 15 HA CYS 15 0.487 -0.699 -0.635
124 HB2 CYS 15 1HB CYS 15 -0.276 -3.551 -1.281
125 HB3 CYS 15 2HB CYS 15 -0.993 -2.095 -1.993
126 H TYR 16 H TYR 16 -1.801 -0.379 -0.235
127 HA TYR 16 HA TYR 16 -3.048 -1.948 1.857
128 HB2 TYR 16 1HB TYR 16 -3.455 0.078 3.283
129 HB3 TYR 16 2HB TYR 16 -1.778 -0.473 3.250
130 HD1 TYR 16 2HD TYR 16 -4.066 2.194 2.224
131 HD2 TYR 16 1HD TYR 16 -0.037 0.827 2.164
132 HE1 TYR 16 2HE TYR 16 -3.321 4.437 1.541
133 HE2 TYR 16 1HE TYR 16 0.719 3.067 1.480
134 HH TYR 16 HH TYR 16 -0.493 5.609 1.852
135 H MET 17 H MET 17 -5.227 -0.824 2.468
136 HA MET 17 HA MET 17 -6.478 -0.008 -0.061
137 HB2 MET 17 1HB MET 17 -7.416 -1.558 2.314
138 HB3 MET 17 2HB MET 17 -8.605 -0.619 1.401
139 HG2 MET 17 1HG MET 17 -6.760 -2.636 0.130
140 HG3 MET 17 2HG MET 17 -8.374 -3.022 0.731
141 HE1 MET 17 3HE MET 17 -10.124 -3.323 -0.730
142 HE2 MET 17 1HE MET 17 -10.239 -2.778 -2.403
143 HE3 MET 17 2HE MET 17 -8.971 -3.908 -1.931
144 H ASP 18 H ASP 18 -6.194 2.193 -0.032
145 HA ASP 18 HA ASP 18 -6.758 3.775 2.294
146 HB2 ASP 18 1HB ASP 18 -5.076 4.441 0.596
147 HB3 ASP 18 2HB ASP 18 -6.384 4.656 -0.576
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -8.931 3.080 2.753
2 HA2 GLY 1 2HA GLY 1 -11.204 2.797 2.615
3 HA3 GLY 1 3HA GLY 1 -11.183 4.191 1.546
4 H ARG 2 H ARG 2 -11.972 3.860 -0.416
5 HA ARG 2 HA ARG 2 -12.248 1.109 -1.372
6 HB2 ARG 2 1HB ARG 2 -13.421 3.568 -2.665
7 HB3 ARG 2 2HB ARG 2 -13.961 1.886 -2.803
8 HG2 ARG 2 1HG ARG 2 -14.281 2.216 -0.161
9 HG3 ARG 2 2HG ARG 2 -14.515 3.885 -0.706
10 HD2 ARG 2 1HD ARG 2 -16.556 3.427 -1.484
11 HD3 ARG 2 2HD ARG 2 -15.929 2.065 -2.427
12 HE ARG 2 HE ARG 2 -16.113 1.302 0.272
13 HH11 ARG 2 1HH1 ARG 2 -18.140 2.061 -2.455
14 HH12 ARG 2 2HH1 ARG 2 -19.444 1.048 -1.933
15 HH21 ARG 2 1HH2 ARG 2 -17.825 -0.035 0.970
16 HH22 ARG 2 2HH2 ARG 2 -19.264 -0.144 0.016
17 H TYR 3 H TYR 3 -9.670 1.853 -1.508
18 HA TYR 3 HA TYR 3 -9.144 1.741 -4.327
19 HB2 TYR 3 1HB TYR 3 -9.358 4.131 -4.170
20 HB3 TYR 3 2HB TYR 3 -8.319 4.178 -2.743
21 HD1 TYR 3 2HD TYR 3 -8.070 2.791 -6.213
22 HD2 TYR 3 1HD TYR 3 -6.213 5.021 -3.103
23 HE1 TYR 3 2HE TYR 3 -6.094 3.122 -7.640
24 HE2 TYR 3 1HE TYR 3 -4.231 5.361 -4.522
25 HH TYR 3 HH TYR 3 -3.451 3.625 -7.037
26 H ARG 4 H ARG 4 -7.044 1.046 -4.806
27 HA ARG 4 HA ARG 4 -5.601 -0.030 -2.491
28 HB2 ARG 4 1HB ARG 4 -6.424 -1.497 -4.429
29 HB3 ARG 4 2HB ARG 4 -5.115 -0.764 -5.369
30 HG2 ARG 4 1HG ARG 4 -3.796 -1.546 -3.102
31 HG3 ARG 4 2HG ARG 4 -5.012 -2.822 -3.299
32 HD2 ARG 4 1HD ARG 4 -4.149 -2.590 -5.856
33 HD3 ARG 4 2HD ARG 4 -2.678 -2.153 -4.973
34 HE ARG 4 HE ARG 4 -2.437 -4.347 -4.408
35 HH11 ARG 4 1HH1 ARG 4 -5.773 -3.776 -5.226
36 HH12 ARG 4 2HH1 ARG 4 -6.228 -5.442 -5.088
37 HH21 ARG 4 1HH2 ARG 4 -3.023 -6.544 -4.224
38 HH22 ARG 4 2HH2 ARG 4 -4.662 -7.014 -4.517
39 H ARG 5 H ARG 5 -3.749 0.855 -1.869
40 HA ARG 5 HA ARG 5 -2.292 2.549 -3.791
41 HB2 ARG 5 1HB ARG 5 -2.122 2.833 -0.797
42 HB3 ARG 5 2HB ARG 5 -1.667 4.003 -2.043
43 HG2 ARG 5 1HG ARG 5 -4.317 3.704 -2.568
44 HG3 ARG 5 2HG ARG 5 -4.275 3.483 -0.812
45 HD2 ARG 5 1HD ARG 5 -4.633 5.836 -1.404
46 HD3 ARG 5 2HD ARG 5 -3.103 5.599 -0.548
47 HE ARG 5 HE ARG 5 -2.446 5.460 -3.203
48 HH11 ARG 5 1HH1 ARG 5 -4.007 7.794 -1.144
49 HH12 ARG 5 2HH1 ARG 5 -3.464 9.160 -2.062
50 HH21 ARG 5 1HH2 ARG 5 -1.726 7.250 -4.420
51 HH22 ARG 5 2HH2 ARG 5 -2.168 8.850 -3.925
52 H CYS 6 H CYS 6 0.027 2.607 -3.589
53 HA CYS 6 HA CYS 6 1.232 0.375 -2.127
54 HB2 CYS 6 1HB CYS 6 1.369 0.862 -5.089
55 HB3 CYS 6 2HB CYS 6 2.660 -0.015 -4.249
56 H ILE 7 H ILE 7 2.807 1.176 -0.921
57 HA ILE 7 HA ILE 7 4.288 3.523 -1.912
58 HB ILE 7 HB ILE 7 4.849 3.953 0.485
59 HG12 ILE 7 1HG1 ILE 7 2.607 2.042 1.129
60 HG13 ILE 7 2HG1 ILE 7 4.302 1.525 1.134
61 HG21 ILE 7 1HG2 ILE 7 1.878 3.908 0.018
62 HG22 ILE 7 2HG2 ILE 7 2.812 5.057 0.975
63 HG23 ILE 7 3HG2 ILE 7 2.964 5.045 -0.781
64 HD11 ILE 7 3HD1 ILE 7 3.495 2.102 3.374
65 HD12 ILE 7 1HD1 ILE 7 4.835 3.126 2.858
66 HD13 ILE 7 2HD1 ILE 7 3.184 3.747 2.825
67 HA PRO 8 HA PRO 8 8.036 1.238 -1.945
68 HB2 PRO 8 1HB PRO 8 9.845 3.181 -1.277
69 HB3 PRO 8 2HB PRO 8 9.028 3.108 -2.837
70 HG2 PRO 8 1HG PRO 8 8.352 4.735 -0.411
71 HG3 PRO 8 2HG PRO 8 8.412 5.239 -2.140
72 HD2 PRO 8 1HD PRO 8 6.087 4.690 -0.851
73 HD3 PRO 8 2HD PRO 8 6.331 4.346 -2.573
74 H GLY 9 H GLY 9 8.760 -0.208 -0.519
75 HA2 GLY 9 2HA GLY 9 8.852 0.553 2.326
76 HA3 GLY 9 3HA GLY 9 8.684 -1.088 1.721
77 H MET 10 H MET 10 10.468 -1.312 3.385
78 HA MET 10 HA MET 10 13.083 -0.560 2.289
79 HB2 MET 10 1HB MET 10 12.242 -0.188 4.776
80 HB3 MET 10 2HB MET 10 12.791 -1.860 4.959
81 HG2 MET 10 1HG MET 10 14.640 -0.606 5.599
82 HG3 MET 10 2HG MET 10 14.988 -1.066 3.932
83 HE1 MET 10 3HE MET 10 16.274 2.490 5.208
84 HE2 MET 10 1HE MET 10 14.792 2.458 6.163
85 HE3 MET 10 2HE MET 10 15.834 1.037 6.107
86 H PHE 11 H PHE 11 11.022 -3.265 2.930
87 HA PHE 11 HA PHE 11 13.172 -5.092 2.081
88 HB2 PHE 11 1HB PHE 11 10.706 -5.848 3.661
89 HB3 PHE 11 2HB PHE 11 12.119 -6.854 3.336
90 HD1 PHE 11 2HD PHE 11 14.229 -6.487 4.499
91 HD2 PHE 11 1HD PHE 11 10.768 -4.178 5.399
92 HE1 PHE 11 2HE PHE 11 15.280 -5.734 6.593
93 HE2 PHE 11 1HE PHE 11 11.813 -3.421 7.494
94 HZ PHE 11 HZ PHE 11 14.070 -4.200 8.094
95 H ARG 12 H ARG 12 9.748 -4.295 1.782
96 HA ARG 12 HA ARG 12 9.733 -5.267 -0.935
97 HB2 ARG 12 1HB ARG 12 7.584 -6.622 -0.398
98 HB3 ARG 12 2HB ARG 12 9.165 -7.350 -0.078
99 HG2 ARG 12 1HG ARG 12 8.991 -6.847 2.276
100 HG3 ARG 12 2HG ARG 12 7.475 -5.976 1.999
101 HD2 ARG 12 1HD ARG 12 6.254 -7.863 1.947
102 HD3 ARG 12 2HD ARG 12 7.450 -8.698 0.946
103 HE ARG 12 HE ARG 12 7.178 -8.859 3.785
104 HH11 ARG 12 1HH1 ARG 12 9.451 -9.051 1.157
105 HH12 ARG 12 2HH1 ARG 12 10.559 -10.066 2.017
106 HH21 ARG 12 1HH2 ARG 12 8.630 -10.195 4.929
107 HH22 ARG 12 2HH2 ARG 12 10.091 -10.718 4.161
108 H ALA 13 H ALA 13 7.539 -4.892 -1.956
109 HA ALA 13 HA ALA 13 6.761 -2.223 -1.563
110 HB1 ALA 13 1HB ALA 13 5.647 -4.499 -3.149
111 HB2 ALA 13 2HB ALA 13 4.755 -2.983 -3.027
112 HB3 ALA 13 3HB ALA 13 6.383 -2.997 -3.708
113 H TYR 14 H TYR 14 5.384 -1.308 -0.188
114 HA TYR 14 HA TYR 14 3.640 -3.058 1.404
115 HB2 TYR 14 1HB TYR 14 5.446 -1.499 2.446
116 HB3 TYR 14 2HB TYR 14 4.281 -0.213 2.120
117 HD1 TYR 14 1HD TYR 14 1.806 -0.734 2.952
118 HD2 TYR 14 2HD TYR 14 5.333 -2.519 4.527
119 HE1 TYR 14 1HE TYR 14 0.606 -1.253 5.035
120 HE2 TYR 14 2HE TYR 14 4.144 -3.044 6.613
121 HH TYR 14 HH TYR 14 2.269 -2.699 7.800
122 H CYS 15 H CYS 15 1.761 -3.185 0.289
123 HA CYS 15 HA CYS 15 0.516 -0.690 -0.632
124 HB2 CYS 15 1HB CYS 15 -0.225 -3.556 -1.252
125 HB3 CYS 15 2HB CYS 15 -0.951 -2.112 -1.979
126 H TYR 16 H TYR 16 -1.775 -0.375 -0.250
127 HA TYR 16 HA TYR 16 -3.027 -1.924 1.852
128 HB2 TYR 16 1HB TYR 16 -3.450 0.114 3.255
129 HB3 TYR 16 2HB TYR 16 -1.770 -0.427 3.233
130 HD1 TYR 16 1HD TYR 16 -4.073 2.215 2.175
131 HD2 TYR 16 2HD TYR 16 -0.035 0.874 2.132
132 HE1 TYR 16 1HE TYR 16 -3.342 4.455 1.470
133 HE2 TYR 16 2HE TYR 16 0.706 3.110 1.428
134 HH TYR 16 HH TYR 16 -0.712 5.717 1.787
135 H MET 17 H MET 17 -5.216 -0.804 2.438
136 HA MET 17 HA MET 17 -6.449 -0.002 -0.107
137 HB2 MET 17 1HB MET 17 -7.402 -1.572 2.250
138 HB3 MET 17 2HB MET 17 -8.587 -0.649 1.314
139 HG2 MET 17 1HG MET 17 -7.812 -1.821 -0.740
140 HG3 MET 17 2HG MET 17 -6.767 -2.810 0.284
141 HE1 MET 17 3HE MET 17 -11.147 -2.999 -0.519
142 HE2 MET 17 1HE MET 17 -9.841 -2.081 -1.269
143 HE3 MET 17 2HE MET 17 -10.000 -3.807 -1.590
144 H ASP 18 H ASP 18 -6.190 2.202 -0.058
145 HA ASP 18 HA ASP 18 -6.761 3.775 2.262
146 HB2 ASP 18 1HB ASP 18 -5.141 4.555 0.621
147 HB3 ASP 18 2HB ASP 18 -6.388 4.570 -0.632
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -8.840 3.247 2.698
2 HA2 GLY 1 2HA GLY 1 -11.130 3.232 2.534
3 HA3 GLY 1 3HA GLY 1 -10.920 4.495 1.332
4 H ARG 2 H ARG 2 -11.693 4.069 -0.619
5 HA ARG 2 HA ARG 2 -12.261 1.278 -1.313
6 HB2 ARG 2 1HB ARG 2 -13.417 3.916 -2.151
7 HB3 ARG 2 2HB ARG 2 -13.601 2.502 -3.198
8 HG2 ARG 2 1HG ARG 2 -14.826 1.311 -1.551
9 HG3 ARG 2 2HG ARG 2 -14.430 2.512 -0.310
10 HD2 ARG 2 1HD ARG 2 -15.957 3.266 -2.794
11 HD3 ARG 2 2HD ARG 2 -16.766 2.598 -1.370
12 HE ARG 2 HE ARG 2 -15.801 5.250 -1.684
13 HH11 ARG 2 1HH1 ARG 2 -16.227 2.717 0.666
14 HH12 ARG 2 2HH1 ARG 2 -16.341 3.806 2.010
15 HH21 ARG 2 1HH2 ARG 2 -15.951 6.693 0.077
16 HH22 ARG 2 2HH2 ARG 2 -16.187 6.065 1.674
17 H TYR 3 H TYR 3 -9.608 1.979 -1.517
18 HA TYR 3 HA TYR 3 -9.121 1.467 -4.302
19 HB2 TYR 3 1HB TYR 3 -9.296 3.869 -4.450
20 HB3 TYR 3 2HB TYR 3 -8.210 4.074 -3.072
21 HD1 TYR 3 2HD TYR 3 -8.112 2.262 -6.346
22 HD2 TYR 3 1HD TYR 3 -6.088 4.786 -3.584
23 HE1 TYR 3 2HE TYR 3 -6.175 2.354 -7.860
24 HE2 TYR 3 1HE TYR 3 -4.145 4.886 -5.091
25 HH TYR 3 HH TYR 3 -4.262 3.646 -8.323
26 H ARG 4 H ARG 4 -7.024 0.698 -4.707
27 HA ARG 4 HA ARG 4 -5.584 -0.106 -2.282
28 HB2 ARG 4 1HB ARG 4 -6.444 -1.761 -4.081
29 HB3 ARG 4 2HB ARG 4 -5.062 -1.198 -5.032
30 HG2 ARG 4 1HG ARG 4 -3.677 -2.533 -3.934
31 HG3 ARG 4 2HG ARG 4 -4.202 -1.859 -2.381
32 HD2 ARG 4 1HD ARG 4 -5.949 -3.435 -2.153
33 HD3 ARG 4 2HD ARG 4 -5.823 -3.917 -3.851
34 HE ARG 4 HE ARG 4 -3.381 -4.516 -2.749
35 HH11 ARG 4 1HH1 ARG 4 -6.694 -5.394 -2.141
36 HH12 ARG 4 2HH1 ARG 4 -6.301 -6.965 -1.523
37 HH21 ARG 4 1HH2 ARG 4 -2.851 -6.580 -1.939
38 HH22 ARG 4 2HH2 ARG 4 -4.114 -7.638 -1.410
39 H ARG 5 H ARG 5 -3.855 1.039 -1.747
40 HA ARG 5 HA ARG 5 -2.374 2.446 -3.859
41 HB2 ARG 5 1HB ARG 5 -2.286 2.916 -0.869
42 HB3 ARG 5 2HB ARG 5 -1.555 3.926 -2.126
43 HG2 ARG 5 1HG ARG 5 -3.959 4.204 -3.016
44 HG3 ARG 5 2HG ARG 5 -4.443 3.614 -1.416
45 HD2 ARG 5 1HD ARG 5 -4.432 5.977 -1.254
46 HD3 ARG 5 2HD ARG 5 -2.968 5.415 -0.436
47 HE ARG 5 HE ARG 5 -1.693 6.434 -2.055
48 HH11 ARG 5 1HH1 ARG 5 -5.022 6.336 -3.070
49 HH12 ARG 5 2HH1 ARG 5 -4.776 7.385 -4.426
50 HH21 ARG 5 1HH2 ARG 5 -1.356 7.818 -3.837
51 HH22 ARG 5 2HH2 ARG 5 -2.690 8.227 -4.861
52 H CYS 6 H CYS 6 -0.007 2.609 -3.567
53 HA CYS 6 HA CYS 6 1.184 0.364 -2.112
54 HB2 CYS 6 1HB CYS 6 1.403 0.900 -5.063
55 HB3 CYS 6 2HB CYS 6 2.657 -0.001 -4.199
56 H ILE 7 H ILE 7 2.725 1.162 -0.861
57 HA ILE 7 HA ILE 7 4.190 3.549 -1.773
58 HB ILE 7 HB ILE 7 4.731 3.906 0.640
59 HG12 ILE 7 1HG1 ILE 7 2.469 2.074 1.334
60 HG13 ILE 7 2HG1 ILE 7 4.082 1.384 1.092
61 HG21 ILE 7 1HG2 ILE 7 1.761 3.833 0.179
62 HG22 ILE 7 2HG2 ILE 7 2.689 4.980 1.142
63 HG23 ILE 7 3HG2 ILE 7 2.822 4.995 -0.615
64 HD11 ILE 7 3HD1 ILE 7 3.238 3.402 3.146
65 HD12 ILE 7 1HD1 ILE 7 3.873 1.777 3.403
66 HD13 ILE 7 2HD1 ILE 7 4.927 3.047 2.783
67 HA PRO 8 HA PRO 8 7.974 1.322 -1.856
68 HB2 PRO 8 1HB PRO 8 9.750 3.271 -1.111
69 HB3 PRO 8 2HB PRO 8 8.942 3.237 -2.677
70 HG2 PRO 8 1HG PRO 8 8.226 4.770 -0.201
71 HG3 PRO 8 2HG PRO 8 8.289 5.335 -1.914
72 HD2 PRO 8 1HD PRO 8 5.963 4.710 -0.662
73 HD3 PRO 8 2HD PRO 8 6.224 4.425 -2.391
74 H GLY 9 H GLY 9 8.708 -0.159 -0.473
75 HA2 GLY 9 2HA GLY 9 8.761 0.501 2.396
76 HA3 GLY 9 3HA GLY 9 8.643 -1.121 1.730
77 H MET 10 H MET 10 10.415 -1.340 3.416
78 HA MET 10 HA MET 10 13.022 -0.484 2.379
79 HB2 MET 10 1HB MET 10 12.140 -0.237 4.867
80 HB3 MET 10 2HB MET 10 12.734 -1.899 4.990
81 HG2 MET 10 1HG MET 10 14.897 -1.290 4.935
82 HG3 MET 10 2HG MET 10 14.606 -0.023 3.742
83 HE1 MET 10 3HE MET 10 16.239 2.247 5.871
84 HE2 MET 10 1HE MET 10 16.563 0.807 6.836
85 HE3 MET 10 2HE MET 10 16.558 0.704 5.076
86 H PHE 11 H PHE 11 11.026 -3.266 2.876
87 HA PHE 11 HA PHE 11 13.232 -4.998 1.973
88 HB2 PHE 11 1HB PHE 11 10.792 -5.888 3.521
89 HB3 PHE 11 2HB PHE 11 12.232 -6.836 3.157
90 HD1 PHE 11 2HD PHE 11 14.501 -5.705 4.002
91 HD2 PHE 11 1HD PHE 11 10.638 -5.035 5.654
92 HE1 PHE 11 2HE PHE 11 15.534 -5.005 6.123
93 HE2 PHE 11 1HE PHE 11 11.663 -4.331 7.777
94 HZ PHE 11 HZ PHE 11 14.115 -4.318 8.014
95 H ARG 12 H ARG 12 9.787 -4.290 1.702
96 HA ARG 12 HA ARG 12 9.801 -5.160 -1.052
97 HB2 ARG 12 1HB ARG 12 7.689 -6.593 -0.566
98 HB3 ARG 12 2HB ARG 12 9.289 -7.289 -0.272
99 HG2 ARG 12 1HG ARG 12 9.089 -7.129 2.043
100 HG3 ARG 12 2HG ARG 12 7.783 -5.937 1.932
101 HD2 ARG 12 1HD ARG 12 6.207 -7.567 1.231
102 HD3 ARG 12 2HD ARG 12 7.483 -8.755 0.927
103 HE ARG 12 HE ARG 12 7.462 -7.961 3.653
104 HH11 ARG 12 1HH1 ARG 12 5.787 -9.942 1.331
105 HH12 ARG 12 2HH1 ARG 12 5.200 -11.063 2.514
106 HH21 ARG 12 1HH2 ARG 12 6.695 -9.427 5.221
107 HH22 ARG 12 2HH2 ARG 12 5.716 -10.768 4.729
108 H ALA 13 H ALA 13 7.599 -4.810 -2.062
109 HA ALA 13 HA ALA 13 6.749 -2.180 -1.586
110 HB1 ALA 13 1HB ALA 13 5.049 -2.582 -3.235
111 HB2 ALA 13 2HB ALA 13 6.534 -3.383 -3.745
112 HB3 ALA 13 3HB ALA 13 5.220 -4.327 -3.047
113 H TYR 14 H TYR 14 5.255 -1.315 -0.283
114 HA TYR 14 HA TYR 14 3.585 -3.159 1.293
115 HB2 TYR 14 1HB TYR 14 5.381 -1.620 2.393
116 HB3 TYR 14 2HB TYR 14 4.193 -0.340 2.133
117 HD1 TYR 14 2HD TYR 14 1.789 -0.781 3.033
118 HD2 TYR 14 1HD TYR 14 5.238 -2.900 4.342
119 HE1 TYR 14 2HE TYR 14 0.610 -1.412 5.096
120 HE2 TYR 14 1HE TYR 14 4.069 -3.539 6.409
121 HH TYR 14 HH TYR 14 2.164 -2.665 7.793
122 H CYS 15 H CYS 15 1.707 -3.252 0.172
123 HA CYS 15 HA CYS 15 0.447 -0.735 -0.659
124 HB2 CYS 15 1HB CYS 15 -0.320 -3.579 -1.344
125 HB3 CYS 15 2HB CYS 15 -1.014 -2.109 -2.049
126 H TYR 16 H TYR 16 -1.821 -0.404 -0.230
127 HA TYR 16 HA TYR 16 -3.083 -2.023 1.812
128 HB2 TYR 16 1HB TYR 16 -3.462 -0.051 3.311
129 HB3 TYR 16 2HB TYR 16 -1.785 -0.603 3.243
130 HD1 TYR 16 2HD TYR 16 -4.088 2.079 2.242
131 HD2 TYR 16 1HD TYR 16 -0.045 0.757 2.278
132 HE1 TYR 16 2HE TYR 16 -3.347 4.343 1.632
133 HE2 TYR 16 1HE TYR 16 0.707 3.018 1.670
134 HH TYR 16 HH TYR 16 -0.334 5.043 0.469
135 H MET 17 H MET 17 -5.249 -0.896 2.464
136 HA MET 17 HA MET 17 -6.510 -0.042 -0.043
137 HB2 MET 17 1HB MET 17 -7.435 -1.539 2.365
138 HB3 MET 17 2HB MET 17 -8.621 -0.548 1.502
139 HG2 MET 17 1HG MET 17 -6.912 -2.634 0.155
140 HG3 MET 17 2HG MET 17 -8.519 -2.952 0.814
141 HE1 MET 17 3HE MET 17 -8.671 -3.978 -1.340
142 HE2 MET 17 1HE MET 17 -9.991 -3.228 -2.238
143 HE3 MET 17 2HE MET 17 -8.352 -3.199 -2.891
144 H ASP 18 H ASP 18 -6.108 2.152 -0.038
145 HA ASP 18 HA ASP 18 -6.609 3.788 2.264
146 HB2 ASP 18 1HB ASP 18 -4.927 4.266 0.413
147 HB3 ASP 18 2HB ASP 18 -6.310 4.739 -0.583
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -8.780 3.284 2.693
2 HA2 GLY 1 2HA GLY 1 -11.070 3.305 2.548
3 HA3 GLY 1 3HA GLY 1 -10.852 4.547 1.323
4 H ARG 2 H ARG 2 -11.637 4.100 -0.620
5 HA ARG 2 HA ARG 2 -12.244 1.303 -1.266
6 HB2 ARG 2 1HB ARG 2 -13.389 3.939 -2.125
7 HB3 ARG 2 2HB ARG 2 -13.594 2.511 -3.151
8 HG2 ARG 2 1HG ARG 2 -14.395 1.449 -0.836
9 HG3 ARG 2 2HG ARG 2 -14.799 3.145 -0.527
10 HD2 ARG 2 1HD ARG 2 -15.934 3.098 -2.842
11 HD3 ARG 2 2HD ARG 2 -15.823 1.340 -2.692
12 HE ARG 2 HE ARG 2 -17.547 1.401 -1.198
13 HH11 ARG 2 1HH1 ARG 2 -16.168 4.588 -1.450
14 HH12 ARG 2 2HH1 ARG 2 -17.383 5.333 -0.466
15 HH21 ARG 2 1HH2 ARG 2 -19.154 2.371 0.100
16 HH22 ARG 2 2HH2 ARG 2 -19.080 4.074 0.415
17 H TYR 3 H TYR 3 -9.587 1.989 -1.508
18 HA TYR 3 HA TYR 3 -9.132 1.429 -4.288
19 HB2 TYR 3 1HB TYR 3 -9.302 3.828 -4.473
20 HB3 TYR 3 2HB TYR 3 -8.199 4.053 -3.113
21 HD1 TYR 3 2HD TYR 3 -8.144 2.185 -6.357
22 HD2 TYR 3 1HD TYR 3 -6.080 4.750 -3.663
23 HE1 TYR 3 2HE TYR 3 -6.224 2.245 -7.893
24 HE2 TYR 3 1HE TYR 3 -4.154 4.818 -5.192
25 HH TYR 3 HH TYR 3 -3.505 4.381 -7.354
26 H ARG 4 H ARG 4 -7.042 0.646 -4.704
27 HA ARG 4 HA ARG 4 -5.584 -0.134 -2.285
28 HB2 ARG 4 1HB ARG 4 -6.456 -1.798 -4.068
29 HB3 ARG 4 2HB ARG 4 -5.075 -1.246 -5.027
30 HG2 ARG 4 1HG ARG 4 -3.570 -2.354 -3.775
31 HG3 ARG 4 2HG ARG 4 -4.444 -2.027 -2.267
32 HD2 ARG 4 1HD ARG 4 -6.194 -3.709 -3.163
33 HD3 ARG 4 2HD ARG 4 -4.912 -4.201 -4.277
34 HE ARG 4 HE ARG 4 -3.944 -4.169 -1.616
35 HH11 ARG 4 1HH1 ARG 4 -5.975 -5.994 -3.778
36 HH12 ARG 4 2HH1 ARG 4 -5.712 -7.499 -2.962
37 HH21 ARG 4 1HH2 ARG 4 -3.590 -6.146 -0.535
38 HH22 ARG 4 2HH2 ARG 4 -4.356 -7.585 -1.118
39 H ARG 5 H ARG 5 -3.856 1.019 -1.766
40 HA ARG 5 HA ARG 5 -2.380 2.401 -3.899
41 HB2 ARG 5 1HB ARG 5 -2.319 2.915 -0.918
42 HB3 ARG 5 2HB ARG 5 -1.546 3.896 -2.174
43 HG2 ARG 5 1HG ARG 5 -3.923 4.205 -3.118
44 HG3 ARG 5 2HG ARG 5 -4.457 3.630 -1.529
45 HD2 ARG 5 1HD ARG 5 -3.498 5.455 -0.400
46 HD3 ARG 5 2HD ARG 5 -2.471 5.863 -1.783
47 HE ARG 5 HE ARG 5 -5.219 6.635 -1.373
48 HH11 ARG 5 1HH1 ARG 5 -2.655 6.205 -3.686
49 HH12 ARG 5 2HH1 ARG 5 -3.332 7.306 -4.839
50 HH21 ARG 5 1HH2 ARG 5 -6.122 8.087 -2.881
51 HH22 ARG 5 2HH2 ARG 5 -5.304 8.377 -4.380
52 H CYS 6 H CYS 6 -0.010 2.585 -3.587
53 HA CYS 6 HA CYS 6 1.179 0.351 -2.112
54 HB2 CYS 6 1HB CYS 6 1.424 0.880 -5.065
55 HB3 CYS 6 2HB CYS 6 2.669 -0.021 -4.183
56 H ILE 7 H ILE 7 2.708 1.158 -0.853
57 HA ILE 7 HA ILE 7 4.166 3.551 -1.756
58 HB ILE 7 HB ILE 7 4.695 3.907 0.660
59 HG12 ILE 7 1HG1 ILE 7 2.467 1.974 1.256
60 HG13 ILE 7 2HG1 ILE 7 4.148 1.421 1.175
61 HG21 ILE 7 1HG2 ILE 7 2.758 4.953 -0.631
62 HG22 ILE 7 2HG2 ILE 7 1.724 3.819 0.238
63 HG23 ILE 7 3HG2 ILE 7 2.675 5.004 1.130
64 HD11 ILE 7 3HD1 ILE 7 3.049 2.167 3.450
65 HD12 ILE 7 1HD1 ILE 7 4.747 2.479 3.093
66 HD13 ILE 7 2HD1 ILE 7 3.555 3.763 2.893
67 HA PRO 8 HA PRO 8 7.962 1.345 -1.828
68 HB2 PRO 8 1HB PRO 8 9.725 3.304 -1.074
69 HB3 PRO 8 2HB PRO 8 8.923 3.267 -2.643
70 HG2 PRO 8 1HG PRO 8 8.188 4.793 -0.166
71 HG3 PRO 8 2HG PRO 8 8.255 5.360 -1.878
72 HD2 PRO 8 1HD PRO 8 5.928 4.720 -0.636
73 HD3 PRO 8 2HD PRO 8 6.198 4.439 -2.365
74 H GLY 9 H GLY 9 8.699 -0.134 -0.446
75 HA2 GLY 9 2HA GLY 9 8.744 0.527 2.425
76 HA3 GLY 9 3HA GLY 9 8.626 -1.097 1.759
77 H MET 10 H MET 10 10.392 -1.367 3.416
78 HA MET 10 HA MET 10 13.002 -0.487 2.403
79 HB2 MET 10 1HB MET 10 12.116 -0.267 4.892
80 HB3 MET 10 2HB MET 10 12.708 -1.934 4.994
81 HG2 MET 10 1HG MET 10 14.850 -1.305 5.049
82 HG3 MET 10 2HG MET 10 14.618 -0.129 3.750
83 HE1 MET 10 3HE MET 10 15.989 -0.636 6.646
84 HE2 MET 10 1HE MET 10 16.146 0.953 7.392
85 HE3 MET 10 2HE MET 10 14.902 -0.164 7.952
86 H PHE 11 H PHE 11 11.014 -3.282 2.894
87 HA PHE 11 HA PHE 11 13.220 -5.000 1.967
88 HB2 PHE 11 1HB PHE 11 10.769 -5.906 3.493
89 HB3 PHE 11 2HB PHE 11 12.215 -6.850 3.127
90 HD1 PHE 11 1HD PHE 11 14.372 -6.312 4.237
91 HD2 PHE 11 2HD PHE 11 10.703 -4.490 5.395
92 HE1 PHE 11 1HE PHE 11 15.386 -5.633 6.372
93 HE2 PHE 11 2HE PHE 11 11.713 -3.807 7.532
94 HZ PHE 11 HZ PHE 11 14.059 -4.378 8.023
95 H ARG 12 H ARG 12 9.774 -4.290 1.688
96 HA ARG 12 HA ARG 12 9.801 -5.126 -1.076
97 HB2 ARG 12 1HB ARG 12 7.690 -6.567 -0.619
98 HB3 ARG 12 2HB ARG 12 9.292 -7.264 -0.327
99 HG2 ARG 12 1HG ARG 12 9.096 -6.947 2.035
100 HG3 ARG 12 2HG ARG 12 7.603 -6.017 1.826
101 HD2 ARG 12 1HD ARG 12 7.938 -8.921 1.043
102 HD3 ARG 12 2HD ARG 12 7.225 -8.360 2.563
103 HE ARG 12 HE ARG 12 5.954 -8.453 0.014
104 HH11 ARG 12 1HH1 ARG 12 6.084 -6.684 3.011
105 HH12 ARG 12 2HH1 ARG 12 4.459 -6.097 2.885
106 HH21 ARG 12 1HH2 ARG 12 3.813 -7.687 -0.161
107 HH22 ARG 12 2HH2 ARG 12 3.168 -6.669 1.082
108 H ALA 13 H ALA 13 7.602 -4.766 -2.089
109 HA ALA 13 HA ALA 13 6.744 -2.144 -1.584
110 HB1 ALA 13 1HB ALA 13 6.138 -4.238 -3.464
111 HB2 ALA 13 2HB ALA 13 4.668 -3.400 -2.966
112 HB3 ALA 13 3HB ALA 13 6.014 -2.490 -3.652
113 H TYR 14 H TYR 14 5.251 -1.301 -0.266
114 HA TYR 14 HA TYR 14 3.582 -3.168 1.281
115 HB2 TYR 14 1HB TYR 14 5.364 -1.625 2.400
116 HB3 TYR 14 2HB TYR 14 4.168 -0.353 2.145
117 HD1 TYR 14 2HD TYR 14 1.791 -0.755 3.068
118 HD2 TYR 14 1HD TYR 14 5.197 -2.983 4.304
119 HE1 TYR 14 2HE TYR 14 0.608 -1.412 5.123
120 HE2 TYR 14 1HE TYR 14 4.025 -3.647 6.362
121 HH TYR 14 HH TYR 14 0.857 -2.334 7.176
122 H CYS 15 H CYS 15 1.709 -3.265 0.154
123 HA CYS 15 HA CYS 15 0.435 -0.754 -0.669
124 HB2 CYS 15 1HB CYS 15 -0.325 -3.598 -1.355
125 HB3 CYS 15 2HB CYS 15 -1.015 -2.128 -2.064
126 H TYR 16 H TYR 16 -1.824 -0.418 -0.230
127 HA TYR 16 HA TYR 16 -3.090 -2.052 1.799
128 HB2 TYR 16 1HB TYR 16 -3.459 -0.094 3.318
129 HB3 TYR 16 2HB TYR 16 -1.784 -0.647 3.240
130 HD1 TYR 16 1HD TYR 16 -4.089 2.033 2.207
131 HD2 TYR 16 2HD TYR 16 -0.040 0.734 2.349
132 HE1 TYR 16 1HE TYR 16 -3.347 4.303 1.618
133 HE2 TYR 16 2HE TYR 16 0.713 3.001 1.759
134 HH TYR 16 HH TYR 16 0.017 5.011 0.919
135 H MET 17 H MET 17 -5.251 -0.919 2.463
136 HA MET 17 HA MET 17 -6.519 -0.057 -0.038
137 HB2 MET 17 1HB MET 17 -7.434 -1.531 2.384
138 HB3 MET 17 2HB MET 17 -8.621 -0.524 1.540
139 HG2 MET 17 1HG MET 17 -8.061 -1.733 -0.572
140 HG3 MET 17 2HG MET 17 -7.046 -2.811 0.388
141 HE1 MET 17 3HE MET 17 -9.819 -2.628 -1.465
142 HE2 MET 17 1HE MET 17 -11.073 -3.662 -0.786
143 HE3 MET 17 2HE MET 17 -11.020 -1.951 -0.364
144 H ASP 18 H ASP 18 -6.075 2.131 -0.048
145 HA ASP 18 HA ASP 18 -6.548 3.792 2.241
146 HB2 ASP 18 1HB ASP 18 -4.884 4.210 0.333
147 HB3 ASP 18 2HB ASP 18 -6.281 4.757 -0.602
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -8.941 3.087 2.741
2 HA2 GLY 1 2HA GLY 1 -11.212 2.783 2.600
3 HA3 GLY 1 3HA GLY 1 -11.202 4.174 1.528
4 H ARG 2 H ARG 2 -12.003 3.827 -0.425
5 HA ARG 2 HA ARG 2 -12.247 1.074 -1.380
6 HB2 ARG 2 1HB ARG 2 -13.624 3.662 -2.019
7 HB3 ARG 2 2HB ARG 2 -13.662 2.337 -3.191
8 HG2 ARG 2 1HG ARG 2 -14.653 0.861 -1.495
9 HG3 ARG 2 2HG ARG 2 -14.654 2.212 -0.353
10 HD2 ARG 2 1HD ARG 2 -16.751 2.560 -1.112
11 HD3 ARG 2 2HD ARG 2 -15.918 3.344 -2.462
12 HE ARG 2 HE ARG 2 -16.069 0.705 -3.174
13 HH11 ARG 2 1HH1 ARG 2 -18.353 3.171 -2.269
14 HH12 ARG 2 2HH1 ARG 2 -19.639 2.518 -3.231
15 HH21 ARG 2 1HH2 ARG 2 -17.752 -0.164 -4.445
16 HH22 ARG 2 2HH2 ARG 2 -19.296 0.620 -4.468
17 H TYR 3 H TYR 3 -9.676 1.825 -1.516
18 HA TYR 3 HA TYR 3 -9.147 1.715 -4.334
19 HB2 TYR 3 1HB TYR 3 -9.370 4.108 -4.174
20 HB3 TYR 3 2HB TYR 3 -8.330 4.157 -2.750
21 HD1 TYR 3 2HD TYR 3 -8.078 2.770 -6.220
22 HD2 TYR 3 1HD TYR 3 -6.228 5.011 -3.113
23 HE1 TYR 3 2HE TYR 3 -6.105 3.109 -7.648
24 HE2 TYR 3 1HE TYR 3 -4.250 5.358 -4.533
25 HH TYR 3 HH TYR 3 -3.713 3.617 -7.394
26 H ARG 4 H ARG 4 -7.042 1.032 -4.810
27 HA ARG 4 HA ARG 4 -5.596 -0.037 -2.492
28 HB2 ARG 4 1HB ARG 4 -6.416 -1.497 -4.452
29 HB3 ARG 4 2HB ARG 4 -5.079 -0.776 -5.361
30 HG2 ARG 4 1HG ARG 4 -3.900 -1.598 -2.988
31 HG3 ARG 4 2HG ARG 4 -5.042 -2.892 -3.392
32 HD2 ARG 4 1HD ARG 4 -3.963 -2.485 -5.826
33 HD3 ARG 4 2HD ARG 4 -2.602 -2.005 -4.805
34 HE ARG 4 HE ARG 4 -2.306 -4.199 -4.214
35 HH11 ARG 4 1HH1 ARG 4 -5.440 -3.818 -5.681
36 HH12 ARG 4 2HH1 ARG 4 -5.758 -5.519 -5.753
37 HH21 ARG 4 1HH2 ARG 4 -2.713 -6.441 -4.303
38 HH22 ARG 4 2HH2 ARG 4 -4.206 -7.010 -4.967
39 H ARG 5 H ARG 5 -3.745 0.850 -1.871
40 HA ARG 5 HA ARG 5 -2.293 2.548 -3.794
41 HB2 ARG 5 1HB ARG 5 -2.133 2.843 -0.799
42 HB3 ARG 5 2HB ARG 5 -1.680 4.012 -2.049
43 HG2 ARG 5 1HG ARG 5 -4.325 3.701 -2.582
44 HG3 ARG 5 2HG ARG 5 -4.288 3.480 -0.825
45 HD2 ARG 5 1HD ARG 5 -4.655 5.831 -1.419
46 HD3 ARG 5 2HD ARG 5 -3.126 5.603 -0.558
47 HE ARG 5 HE ARG 5 -2.430 5.468 -3.188
48 HH11 ARG 5 1HH1 ARG 5 -4.132 7.784 -1.223
49 HH12 ARG 5 2HH1 ARG 5 -3.623 9.149 -2.162
50 HH21 ARG 5 1HH2 ARG 5 -1.753 7.257 -4.432
51 HH22 ARG 5 2HH2 ARG 5 -2.272 8.848 -3.988
52 H CYS 6 H CYS 6 0.026 2.617 -3.586
53 HA CYS 6 HA CYS 6 1.236 0.395 -2.113
54 HB2 CYS 6 1HB CYS 6 1.381 0.870 -5.077
55 HB3 CYS 6 2HB CYS 6 2.671 -0.001 -4.230
56 H ILE 7 H ILE 7 2.804 1.207 -0.907
57 HA ILE 7 HA ILE 7 4.275 3.560 -1.900
58 HB ILE 7 HB ILE 7 4.837 3.989 0.495
59 HG12 ILE 7 1HG1 ILE 7 2.569 2.176 1.238
60 HG13 ILE 7 2HG1 ILE 7 4.197 1.503 1.056
61 HG21 ILE 7 1HG2 ILE 7 2.956 5.089 -0.757
62 HG22 ILE 7 2HG2 ILE 7 1.869 3.932 0.009
63 HG23 ILE 7 3HG2 ILE 7 2.781 5.070 0.999
64 HD11 ILE 7 3HD1 ILE 7 3.332 2.340 3.384
65 HD12 ILE 7 1HD1 ILE 7 5.010 2.572 2.896
66 HD13 ILE 7 2HD1 ILE 7 3.861 3.905 2.768
67 HA PRO 8 HA PRO 8 8.035 1.295 -1.941
68 HB2 PRO 8 1HB PRO 8 9.835 3.250 -1.272
69 HB3 PRO 8 2HB PRO 8 9.016 3.171 -2.832
70 HG2 PRO 8 1HG PRO 8 8.333 4.793 -0.403
71 HG3 PRO 8 2HG PRO 8 8.388 5.300 -2.132
72 HD2 PRO 8 1HD PRO 8 6.067 4.738 -0.844
73 HD3 PRO 8 2HD PRO 8 6.313 4.395 -2.564
74 H GLY 9 H GLY 9 8.768 -0.148 -0.516
75 HA2 GLY 9 2HA GLY 9 8.881 0.623 2.326
76 HA3 GLY 9 3HA GLY 9 8.684 -1.019 1.732
77 H MET 10 H MET 10 10.464 -1.403 3.291
78 HA MET 10 HA MET 10 13.088 -0.625 2.222
79 HB2 MET 10 1HB MET 10 12.266 -0.316 4.725
80 HB3 MET 10 2HB MET 10 12.795 -2.000 4.853
81 HG2 MET 10 1HG MET 10 14.598 0.122 3.722
82 HG3 MET 10 2HG MET 10 14.465 -0.163 5.458
83 HE1 MET 10 3HE MET 10 17.075 -1.822 2.544
84 HE2 MET 10 1HE MET 10 16.517 -0.232 3.064
85 HE3 MET 10 2HE MET 10 17.728 -1.096 4.013
86 H PHE 11 H PHE 11 11.091 -3.375 3.093
87 HA PHE 11 HA PHE 11 13.174 -5.190 2.086
88 HB2 PHE 11 1HB PHE 11 10.694 -5.969 3.629
89 HB3 PHE 11 2HB PHE 11 12.129 -6.951 3.325
90 HD1 PHE 11 1HD PHE 11 10.791 -4.143 5.275
91 HD2 PHE 11 2HD PHE 11 14.109 -6.734 4.642
92 HE1 PHE 11 1HE PHE 11 11.780 -3.389 7.398
93 HE2 PHE 11 2HE PHE 11 15.102 -5.984 6.765
94 HZ PHE 11 HZ PHE 11 13.938 -4.310 8.146
95 H ARG 12 H ARG 12 9.743 -4.383 1.821
96 HA ARG 12 HA ARG 12 9.724 -5.301 -0.921
97 HB2 ARG 12 1HB ARG 12 7.560 -6.637 -0.406
98 HB3 ARG 12 2HB ARG 12 9.130 -7.386 -0.087
99 HG2 ARG 12 1HG ARG 12 7.899 -5.880 2.148
100 HG3 ARG 12 2HG ARG 12 7.131 -7.404 1.674
101 HD2 ARG 12 1HD ARG 12 10.079 -7.469 1.918
102 HD3 ARG 12 2HD ARG 12 9.177 -7.232 3.421
103 HE ARG 12 HE ARG 12 8.075 -9.374 1.929
104 HH11 ARG 12 1HH1 ARG 12 10.792 -8.528 3.935
105 HH12 ARG 12 2HH1 ARG 12 11.064 -10.151 4.475
106 HH21 ARG 12 1HH2 ARG 12 8.422 -11.515 2.633
107 HH22 ARG 12 2HH2 ARG 12 9.717 -11.849 3.735
108 H ALA 13 H ALA 13 7.535 -4.883 -1.937
109 HA ALA 13 HA ALA 13 6.795 -2.209 -1.512
110 HB1 ALA 13 1HB ALA 13 6.351 -2.868 -3.654
111 HB2 ALA 13 2HB ALA 13 5.737 -4.446 -3.163
112 HB3 ALA 13 3HB ALA 13 4.739 -3.009 -2.953
113 H TYR 14 H TYR 14 5.384 -1.279 -0.173
114 HA TYR 14 HA TYR 14 3.648 -3.026 1.434
115 HB2 TYR 14 1HB TYR 14 5.451 -1.455 2.468
116 HB3 TYR 14 2HB TYR 14 4.281 -0.175 2.136
117 HD1 TYR 14 1HD TYR 14 1.807 -0.707 2.969
118 HD2 TYR 14 2HD TYR 14 5.344 -2.464 4.555
119 HE1 TYR 14 1HE TYR 14 0.610 -1.223 5.054
120 HE2 TYR 14 2HE TYR 14 4.156 -2.984 6.644
121 HH TYR 14 HH TYR 14 0.698 -2.357 6.997
122 H CYS 15 H CYS 15 1.771 -3.160 0.316
123 HA CYS 15 HA CYS 15 0.523 -0.671 -0.615
124 HB2 CYS 15 1HB CYS 15 -0.211 -3.540 -1.226
125 HB3 CYS 15 2HB CYS 15 -0.941 -2.102 -1.961
126 H TYR 16 H TYR 16 -1.770 -0.361 -0.241
127 HA TYR 16 HA TYR 16 -3.022 -1.904 1.867
128 HB2 TYR 16 1HB TYR 16 -3.453 0.141 3.260
129 HB3 TYR 16 2HB TYR 16 -1.772 -0.397 3.243
130 HD1 TYR 16 2HD TYR 16 -0.039 0.902 2.134
131 HD2 TYR 16 1HD TYR 16 -4.079 2.235 2.173
132 HE1 TYR 16 2HE TYR 16 0.699 3.137 1.421
133 HE2 TYR 16 1HE TYR 16 -3.353 4.475 1.459
134 HH TYR 16 HH TYR 16 0.086 5.230 0.997
135 H MET 17 H MET 17 -5.215 -0.788 2.444
136 HA MET 17 HA MET 17 -6.446 0.000 -0.107
137 HB2 MET 17 1HB MET 17 -7.398 -1.562 2.257
138 HB3 MET 17 2HB MET 17 -8.585 -0.648 1.313
139 HG2 MET 17 1HG MET 17 -6.679 -2.633 0.083
140 HG3 MET 17 2HG MET 17 -8.289 -3.055 0.665
141 HE1 MET 17 3HE MET 17 -10.402 -2.895 -1.849
142 HE2 MET 17 1HE MET 17 -9.004 -3.581 -2.678
143 HE3 MET 17 2HE MET 17 -9.268 -3.919 -0.967
144 H ASP 18 H ASP 18 -6.197 2.205 -0.069
145 HA ASP 18 HA ASP 18 -6.774 3.785 2.244
146 HB2 ASP 18 1HB ASP 18 -5.158 4.565 0.600
147 HB3 ASP 18 2HB ASP 18 -6.405 4.569 -0.654
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -8.887 3.211 2.731
2 HA2 GLY 1 2HA GLY 1 -11.177 3.172 2.569
3 HA3 GLY 1 3HA GLY 1 -10.982 4.450 1.378
4 H ARG 2 H ARG 2 -11.762 4.034 -0.570
5 HA ARG 2 HA ARG 2 -12.296 1.243 -1.294
6 HB2 ARG 2 1HB ARG 2 -13.475 3.879 -2.112
7 HB3 ARG 2 2HB ARG 2 -13.647 2.470 -3.169
8 HG2 ARG 2 1HG ARG 2 -14.517 1.289 -1.010
9 HG3 ARG 2 2HG ARG 2 -14.795 2.950 -0.460
10 HD2 ARG 2 1HD ARG 2 -16.343 3.399 -2.159
11 HD3 ARG 2 2HD ARG 2 -15.774 2.042 -3.143
12 HE ARG 2 HE ARG 2 -17.727 1.953 -1.039
13 HH11 ARG 2 1HH1 ARG 2 -15.380 0.114 -2.837
14 HH12 ARG 2 2HH1 ARG 2 -16.149 -1.408 -2.535
15 HH21 ARG 2 1HH2 ARG 2 -18.748 -0.046 -0.634
16 HH22 ARG 2 2HH2 ARG 2 -18.065 -1.499 -1.283
17 H TYR 3 H TYR 3 -9.649 1.985 -1.487
18 HA TYR 3 HA TYR 3 -9.154 1.496 -4.277
19 HB2 TYR 3 1HB TYR 3 -9.355 3.898 -4.398
20 HB3 TYR 3 2HB TYR 3 -8.265 4.101 -3.022
21 HD1 TYR 3 1HD TYR 3 -8.149 2.284 -6.297
22 HD2 TYR 3 2HD TYR 3 -6.168 4.870 -3.560
23 HE1 TYR 3 1HE TYR 3 -6.221 2.407 -7.818
24 HE2 TYR 3 2HE TYR 3 -4.235 5.002 -5.075
25 HH TYR 3 HH TYR 3 -3.238 3.502 -6.922
26 H ARG 4 H ARG 4 -7.055 0.740 -4.684
27 HA ARG 4 HA ARG 4 -5.591 -0.032 -2.259
28 HB2 ARG 4 1HB ARG 4 -6.476 -1.745 -3.968
29 HB3 ARG 4 2HB ARG 4 -5.152 -1.187 -5.003
30 HG2 ARG 4 1HG ARG 4 -3.904 -2.745 -4.020
31 HG3 ARG 4 2HG ARG 4 -3.895 -1.675 -2.609
32 HD2 ARG 4 1HD ARG 4 -6.086 -2.816 -1.928
33 HD3 ARG 4 2HD ARG 4 -5.679 -4.029 -3.151
34 HE ARG 4 HE ARG 4 -3.524 -3.574 -1.333
35 HH11 ARG 4 1HH1 ARG 4 -6.557 -5.237 -1.741
36 HH12 ARG 4 2HH1 ARG 4 -6.168 -6.494 -0.614
37 HH21 ARG 4 1HH2 ARG 4 -3.002 -5.225 0.152
38 HH22 ARG 4 2HH2 ARG 4 -4.145 -6.486 0.462
39 H ARG 5 H ARG 5 -3.769 0.994 -1.793
40 HA ARG 5 HA ARG 5 -2.338 2.377 -3.964
41 HB2 ARG 5 1HB ARG 5 -2.300 2.959 -0.992
42 HB3 ARG 5 2HB ARG 5 -1.455 3.880 -2.244
43 HG2 ARG 5 1HG ARG 5 -4.248 3.695 -2.896
44 HG3 ARG 5 2HG ARG 5 -4.036 4.311 -1.249
45 HD2 ARG 5 1HD ARG 5 -2.787 5.419 -3.773
46 HD3 ARG 5 2HD ARG 5 -4.060 6.163 -2.795
47 HE ARG 5 HE ARG 5 -1.232 6.147 -2.242
48 HH11 ARG 5 1HH1 ARG 5 -4.429 6.535 -0.921
49 HH12 ARG 5 2HH1 ARG 5 -3.896 7.470 0.436
50 HH21 ARG 5 1HH2 ARG 5 -0.518 7.379 -0.461
51 HH22 ARG 5 2HH2 ARG 5 -1.671 7.951 0.698
52 H CYS 6 H CYS 6 0.041 2.567 -3.641
53 HA CYS 6 HA CYS 6 1.216 0.341 -2.146
54 HB2 CYS 6 1HB CYS 6 1.466 0.840 -5.103
55 HB3 CYS 6 2HB CYS 6 2.707 -0.056 -4.211
56 H ILE 7 H ILE 7 2.748 1.152 -0.892
57 HA ILE 7 HA ILE 7 4.221 3.528 -1.818
58 HB ILE 7 HB ILE 7 4.742 3.913 0.594
59 HG12 ILE 7 1HG1 ILE 7 2.511 1.983 1.195
60 HG13 ILE 7 2HG1 ILE 7 4.201 1.446 1.154
61 HG21 ILE 7 1HG2 ILE 7 2.900 5.058 -0.619
62 HG22 ILE 7 2HG2 ILE 7 1.792 3.834 -0.005
63 HG23 ILE 7 3HG2 ILE 7 2.622 4.910 1.116
64 HD11 ILE 7 3HD1 ILE 7 3.877 3.822 2.769
65 HD12 ILE 7 1HD1 ILE 7 2.866 2.492 3.333
66 HD13 ILE 7 2HD1 ILE 7 4.608 2.267 3.172
67 HA PRO 8 HA PRO 8 8.004 1.299 -1.849
68 HB2 PRO 8 1HB PRO 8 9.774 3.255 -1.113
69 HB3 PRO 8 2HB PRO 8 8.979 3.204 -2.685
70 HG2 PRO 8 1HG PRO 8 8.246 4.767 -0.232
71 HG3 PRO 8 2HG PRO 8 8.321 5.310 -1.952
72 HD2 PRO 8 1HD PRO 8 5.986 4.699 -0.708
73 HD3 PRO 8 2HD PRO 8 6.260 4.396 -2.432
74 H GLY 9 H GLY 9 8.728 -0.167 -0.446
75 HA2 GLY 9 2HA GLY 9 8.763 0.528 2.416
76 HA3 GLY 9 3HA GLY 9 8.644 -1.103 1.769
77 H MET 10 H MET 10 10.401 -1.367 3.430
78 HA MET 10 HA MET 10 13.019 -0.500 2.425
79 HB2 MET 10 1HB MET 10 12.120 -0.258 4.908
80 HB3 MET 10 2HB MET 10 12.709 -1.924 5.029
81 HG2 MET 10 1HG MET 10 14.901 -1.332 4.843
82 HG3 MET 10 2HG MET 10 14.538 0.083 3.852
83 HE1 MET 10 3HE MET 10 14.777 2.920 6.038
84 HE2 MET 10 1HE MET 10 16.143 1.982 5.433
85 HE3 MET 10 2HE MET 10 14.697 2.175 4.440
86 H PHE 11 H PHE 11 11.013 -3.280 2.900
87 HA PHE 11 HA PHE 11 13.222 -5.012 2.004
88 HB2 PHE 11 1HB PHE 11 10.768 -5.902 3.535
89 HB3 PHE 11 2HB PHE 11 12.210 -6.853 3.175
90 HD1 PHE 11 2HD PHE 11 14.312 -6.464 4.356
91 HD2 PHE 11 1HD PHE 11 10.769 -4.322 5.352
92 HE1 PHE 11 2HE PHE 11 15.331 -5.772 6.486
93 HE2 PHE 11 1HE PHE 11 11.783 -3.628 7.483
94 HZ PHE 11 HZ PHE 11 14.067 -4.354 8.053
95 H ARG 12 H ARG 12 9.779 -4.296 1.715
96 HA ARG 12 HA ARG 12 9.809 -5.159 -1.041
97 HB2 ARG 12 1HB ARG 12 7.689 -6.587 -0.574
98 HB3 ARG 12 2HB ARG 12 9.287 -7.286 -0.271
99 HG2 ARG 12 1HG ARG 12 9.084 -6.871 2.101
100 HG3 ARG 12 2HG ARG 12 7.537 -6.045 1.840
101 HD2 ARG 12 1HD ARG 12 7.235 -8.530 0.593
102 HD3 ARG 12 2HD ARG 12 8.096 -8.868 2.102
103 HE ARG 12 HE ARG 12 5.956 -7.151 2.666
104 HH11 ARG 12 1HH1 ARG 12 6.544 -10.424 1.635
105 HH12 ARG 12 2HH1 ARG 12 5.086 -11.044 2.335
106 HH21 ARG 12 1HH2 ARG 12 4.033 -7.956 3.591
107 HH22 ARG 12 2HH2 ARG 12 3.658 -9.639 3.446
108 H ALA 13 H ALA 13 7.613 -4.798 -2.063
109 HA ALA 13 HA ALA 13 6.766 -2.168 -1.586
110 HB1 ALA 13 1HB ALA 13 5.243 -2.468 -3.330
111 HB2 ALA 13 2HB ALA 13 6.561 -3.575 -3.719
112 HB3 ALA 13 3HB ALA 13 5.070 -4.193 -3.005
113 H TYR 14 H TYR 14 5.284 -1.305 -0.272
114 HA TYR 14 HA TYR 14 3.600 -3.147 1.290
115 HB2 TYR 14 1HB TYR 14 5.387 -1.603 2.396
116 HB3 TYR 14 2HB TYR 14 4.201 -0.324 2.121
117 HD1 TYR 14 1HD TYR 14 1.798 -0.742 3.018
118 HD2 TYR 14 2HD TYR 14 5.223 -2.887 4.343
119 HE1 TYR 14 1HE TYR 14 0.604 -1.364 5.075
120 HE2 TYR 14 2HE TYR 14 4.039 -3.516 6.405
121 HH TYR 14 HH TYR 14 0.643 -2.881 6.841
122 H CYS 15 H CYS 15 1.728 -3.249 0.163
123 HA CYS 15 HA CYS 15 0.466 -0.742 -0.692
124 HB2 CYS 15 1HB CYS 15 -0.303 -3.593 -1.343
125 HB3 CYS 15 2HB CYS 15 -0.993 -2.130 -2.068
126 H TYR 16 H TYR 16 -1.796 -0.398 -0.263
127 HA TYR 16 HA TYR 16 -3.064 -1.995 1.793
128 HB2 TYR 16 1HB TYR 16 -3.439 0.000 3.270
129 HB3 TYR 16 2HB TYR 16 -1.770 -0.571 3.214
130 HD1 TYR 16 1HD TYR 16 -0.025 0.725 2.103
131 HD2 TYR 16 2HD TYR 16 -4.023 2.160 2.318
132 HE1 TYR 16 1HE TYR 16 0.755 2.971 1.473
133 HE2 TYR 16 2HE TYR 16 -3.256 4.410 1.687
134 HH TYR 16 HH TYR 16 -0.291 5.036 0.358
135 H MET 17 H MET 17 -5.227 -0.851 2.435
136 HA MET 17 HA MET 17 -6.472 0.026 -0.077
137 HB2 MET 17 1HB MET 17 -7.422 -1.532 2.286
138 HB3 MET 17 2HB MET 17 -8.602 -0.551 1.401
139 HG2 MET 17 1HG MET 17 -7.934 -1.716 -0.696
140 HG3 MET 17 2HG MET 17 -6.899 -2.763 0.281
141 HE1 MET 17 3HE MET 17 -10.525 -3.570 -1.338
142 HE2 MET 17 1HE MET 17 -8.805 -3.497 -1.718
143 HE3 MET 17 2HE MET 17 -9.490 -4.963 -1.019
144 H ASP 18 H ASP 18 -6.139 2.220 -0.028
145 HA ASP 18 HA ASP 18 -6.663 3.790 2.317
146 HB2 ASP 18 1HB ASP 18 -4.963 4.455 0.659
147 HB3 ASP 18 2HB ASP 18 -6.240 4.667 -0.547
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -8.763 3.307 2.703
2 HA2 GLY 1 2HA GLY 1 -11.055 3.347 2.564
3 HA3 GLY 1 3HA GLY 1 -10.829 4.592 1.344
4 H ARG 2 H ARG 2 -11.632 4.160 -0.593
5 HA ARG 2 HA ARG 2 -12.257 1.370 -1.252
6 HB2 ARG 2 1HB ARG 2 -13.393 4.019 -2.090
7 HB3 ARG 2 2HB ARG 2 -13.613 2.597 -3.122
8 HG2 ARG 2 1HG ARG 2 -15.484 2.307 -1.916
9 HG3 ARG 2 2HG ARG 2 -14.372 1.580 -0.744
10 HD2 ARG 2 1HD ARG 2 -14.100 4.003 0.156
11 HD3 ARG 2 2HD ARG 2 -15.595 4.312 -0.735
12 HE ARG 2 HE ARG 2 -16.112 2.078 0.771
13 HH11 ARG 2 1HH1 ARG 2 -15.100 5.348 1.403
14 HH12 ARG 2 2HH1 ARG 2 -15.850 5.417 2.964
15 HH21 ARG 2 1HH2 ARG 2 -17.101 2.155 2.825
16 HH22 ARG 2 2HH2 ARG 2 -16.986 3.600 3.773
17 H TYR 3 H TYR 3 -9.598 2.045 -1.506
18 HA TYR 3 HA TYR 3 -9.164 1.504 -4.295
19 HB2 TYR 3 1HB TYR 3 -9.316 3.909 -4.454
20 HB3 TYR 3 2HB TYR 3 -8.200 4.110 -3.102
21 HD1 TYR 3 1HD TYR 3 -8.191 2.263 -6.360
22 HD2 TYR 3 2HD TYR 3 -6.083 4.799 -3.671
23 HE1 TYR 3 1HE TYR 3 -6.285 2.320 -7.917
24 HE2 TYR 3 2HE TYR 3 -4.173 4.866 -5.220
25 HH TYR 3 HH TYR 3 -3.795 4.541 -7.692
26 H ARG 4 H ARG 4 -7.084 0.707 -4.731
27 HA ARG 4 HA ARG 4 -5.619 -0.112 -2.326
28 HB2 ARG 4 1HB ARG 4 -6.505 -1.747 -4.133
29 HB3 ARG 4 2HB ARG 4 -5.125 -1.185 -5.087
30 HG2 ARG 4 1HG ARG 4 -3.961 -2.808 -4.105
31 HG3 ARG 4 2HG ARG 4 -3.984 -1.782 -2.661
32 HD2 ARG 4 1HD ARG 4 -6.249 -2.890 -2.137
33 HD3 ARG 4 2HD ARG 4 -5.772 -4.091 -3.346
34 HE ARG 4 HE ARG 4 -3.647 -3.860 -1.584
35 HH11 ARG 4 1HH1 ARG 4 -6.994 -4.815 -1.476
36 HH12 ARG 4 2HH1 ARG 4 -6.768 -5.929 -0.169
37 HH21 ARG 4 1HH2 ARG 4 -3.338 -5.324 0.137
38 HH22 ARG 4 2HH2 ARG 4 -4.690 -6.217 0.749
39 H ARG 5 H ARG 5 -3.876 1.013 -1.798
40 HA ARG 5 HA ARG 5 -2.390 2.407 -3.918
41 HB2 ARG 5 1HB ARG 5 -2.356 2.919 -0.935
42 HB3 ARG 5 2HB ARG 5 -1.558 3.893 -2.181
43 HG2 ARG 5 1HG ARG 5 -3.917 4.229 -3.155
44 HG3 ARG 5 2HG ARG 5 -4.480 3.653 -1.578
45 HD2 ARG 5 1HD ARG 5 -3.529 5.465 -0.430
46 HD3 ARG 5 2HD ARG 5 -2.467 5.864 -1.788
47 HE ARG 5 HE ARG 5 -5.212 6.672 -1.438
48 HH11 ARG 5 1HH1 ARG 5 -2.603 6.206 -3.697
49 HH12 ARG 5 2HH1 ARG 5 -3.242 7.318 -4.863
50 HH21 ARG 5 1HH2 ARG 5 -6.061 8.137 -2.965
51 HH22 ARG 5 2HH2 ARG 5 -5.208 8.416 -4.445
52 H CYS 6 H CYS 6 -0.019 2.587 -3.578
53 HA CYS 6 HA CYS 6 1.147 0.339 -2.108
54 HB2 CYS 6 1HB CYS 6 1.438 0.894 -5.051
55 HB3 CYS 6 2HB CYS 6 2.654 -0.032 -4.158
56 H ILE 7 H ILE 7 2.665 1.130 -0.825
57 HA ILE 7 HA ILE 7 4.123 3.540 -1.682
58 HB ILE 7 HB ILE 7 4.663 3.825 0.746
59 HG12 ILE 7 1HG1 ILE 7 2.445 1.839 1.229
60 HG13 ILE 7 2HG1 ILE 7 4.152 1.363 1.245
61 HG21 ILE 7 1HG2 ILE 7 1.691 3.772 0.358
62 HG22 ILE 7 2HG2 ILE 7 2.675 4.948 1.226
63 HG23 ILE 7 3HG2 ILE 7 2.715 4.895 -0.537
64 HD11 ILE 7 3HD1 ILE 7 3.672 1.725 3.481
65 HD12 ILE 7 1HD1 ILE 7 4.454 3.224 2.983
66 HD13 ILE 7 2HD1 ILE 7 2.699 3.156 3.143
67 HA PRO 8 HA PRO 8 7.929 1.355 -1.821
68 HB2 PRO 8 1HB PRO 8 9.685 3.298 -1.013
69 HB3 PRO 8 2HB PRO 8 8.880 3.303 -2.584
70 HG2 PRO 8 1HG PRO 8 8.143 4.758 -0.066
71 HG3 PRO 8 2HG PRO 8 8.205 5.370 -1.760
72 HD2 PRO 8 1HD PRO 8 5.882 4.685 -0.532
73 HD3 PRO 8 2HD PRO 8 6.151 4.456 -2.268
74 H GLY 9 H GLY 9 8.676 -0.159 -0.482
75 HA2 GLY 9 2HA GLY 9 8.685 0.396 2.408
76 HA3 GLY 9 3HA GLY 9 8.648 -1.200 1.676
77 H MET 10 H MET 10 10.401 -1.312 3.445
78 HA MET 10 HA MET 10 12.983 -0.340 2.464
79 HB2 MET 10 1HB MET 10 12.047 -0.217 4.941
80 HB3 MET 10 2HB MET 10 12.715 -1.854 5.022
81 HG2 MET 10 1HG MET 10 14.789 -1.095 5.241
82 HG3 MET 10 2HG MET 10 14.610 -0.053 3.828
83 HE1 MET 10 3HE MET 10 15.142 -0.253 7.503
84 HE2 MET 10 1HE MET 10 16.350 0.606 6.546
85 HE3 MET 10 2HE MET 10 15.449 1.461 7.798
86 H PHE 11 H PHE 11 11.114 -3.229 2.837
87 HA PHE 11 HA PHE 11 13.401 -4.809 1.864
88 HB2 PHE 11 1HB PHE 11 11.077 -5.875 3.479
89 HB3 PHE 11 2HB PHE 11 12.555 -6.732 3.038
90 HD1 PHE 11 2HD PHE 11 14.655 -6.302 4.168
91 HD2 PHE 11 1HD PHE 11 11.090 -4.266 5.290
92 HE1 PHE 11 2HE PHE 11 15.726 -5.586 6.264
93 HE2 PHE 11 1HE PHE 11 12.156 -3.547 7.387
94 HZ PHE 11 HZ PHE 11 14.476 -4.207 7.878
95 H ARG 12 H ARG 12 9.911 -4.312 1.727
96 HA ARG 12 HA ARG 12 9.893 -5.190 -1.035
97 HB2 ARG 12 1HB ARG 12 7.819 -6.645 -0.488
98 HB3 ARG 12 2HB ARG 12 9.434 -7.309 -0.196
99 HG2 ARG 12 1HG ARG 12 8.204 -5.877 2.077
100 HG3 ARG 12 2HG ARG 12 7.440 -7.402 1.597
101 HD2 ARG 12 1HD ARG 12 9.404 -8.649 1.977
102 HD3 ARG 12 2HD ARG 12 10.406 -7.193 2.006
103 HE ARG 12 HE ARG 12 8.578 -6.987 4.096
104 HH11 ARG 12 1HH1 ARG 12 11.252 -9.002 3.144
105 HH12 ARG 12 2HH1 ARG 12 11.707 -9.391 4.770
106 HH21 ARG 12 1HH2 ARG 12 9.167 -7.491 6.240
107 HH22 ARG 12 2HH2 ARG 12 10.520 -8.532 6.530
108 H ALA 13 H ALA 13 7.663 -4.890 -2.003
109 HA ALA 13 HA ALA 13 6.786 -2.263 -1.552
110 HB1 ALA 13 1HB ALA 13 6.562 -3.652 -3.667
111 HB2 ALA 13 2HB ALA 13 5.140 -4.375 -2.915
112 HB3 ALA 13 3HB ALA 13 5.185 -2.641 -3.232
113 H TYR 14 H TYR 14 5.085 -1.399 -0.449
114 HA TYR 14 HA TYR 14 3.517 -3.248 1.228
115 HB2 TYR 14 1HB TYR 14 5.333 -1.695 2.314
116 HB3 TYR 14 2HB TYR 14 4.110 -0.442 2.100
117 HD1 TYR 14 2HD TYR 14 1.741 -0.945 3.046
118 HD2 TYR 14 1HD TYR 14 5.255 -3.028 4.234
119 HE1 TYR 14 2HE TYR 14 0.619 -1.645 5.121
120 HE2 TYR 14 1HE TYR 14 4.143 -3.733 6.310
121 HH TYR 14 HH TYR 14 2.049 -3.966 7.289
122 H CYS 15 H CYS 15 1.637 -3.322 0.111
123 HA CYS 15 HA CYS 15 0.387 -0.790 -0.693
124 HB2 CYS 15 1HB CYS 15 -0.395 -3.619 -1.417
125 HB3 CYS 15 2HB CYS 15 -1.070 -2.133 -2.110
126 H TYR 16 H TYR 16 -1.868 -0.441 -0.248
127 HA TYR 16 HA TYR 16 -3.149 -2.095 1.756
128 HB2 TYR 16 1HB TYR 16 -3.502 -0.154 3.303
129 HB3 TYR 16 2HB TYR 16 -1.836 -0.726 3.221
130 HD1 TYR 16 1HD TYR 16 -4.106 1.976 2.136
131 HD2 TYR 16 2HD TYR 16 -0.070 0.667 2.440
132 HE1 TYR 16 1HE TYR 16 -3.336 4.244 1.582
133 HE2 TYR 16 2HE TYR 16 0.712 2.932 1.886
134 HH TYR 16 HH TYR 16 0.129 5.021 1.431
135 H MET 17 H MET 17 -5.302 -0.956 2.436
136 HA MET 17 HA MET 17 -6.564 -0.056 -0.052
137 HB2 MET 17 1HB MET 17 -7.489 -1.532 2.365
138 HB3 MET 17 2HB MET 17 -8.665 -0.498 1.540
139 HG2 MET 17 1HG MET 17 -8.137 -1.699 -0.589
140 HG3 MET 17 2HG MET 17 -7.138 -2.804 0.358
141 HE1 MET 17 3HE MET 17 -10.296 -1.466 -0.678
142 HE2 MET 17 1HE MET 17 -11.396 -2.841 -0.565
143 HE3 MET 17 2HE MET 17 -11.315 -1.667 0.748
144 H ASP 18 H ASP 18 -6.084 2.125 -0.053
145 HA ASP 18 HA ASP 18 -6.525 3.785 2.241
146 HB2 ASP 18 1HB ASP 18 -4.872 4.178 0.305
147 HB3 ASP 18 2HB ASP 18 -6.273 4.772 -0.593
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -8.871 3.212 2.706
2 HA2 GLY 1 2HA GLY 1 -11.160 3.162 2.546
3 HA3 GLY 1 3HA GLY 1 -10.969 4.446 1.362
4 H ARG 2 H ARG 2 -11.727 4.040 -0.600
5 HA ARG 2 HA ARG 2 -12.278 1.255 -1.334
6 HB2 ARG 2 1HB ARG 2 -13.281 3.702 -2.782
7 HB3 ARG 2 2HB ARG 2 -13.944 2.060 -2.804
8 HG2 ARG 2 1HG ARG 2 -14.566 2.322 -0.411
9 HG3 ARG 2 2HG ARG 2 -14.031 4.007 -0.511
10 HD2 ARG 2 1HD ARG 2 -15.794 3.453 -2.705
11 HD3 ARG 2 2HD ARG 2 -16.553 2.938 -1.193
12 HE ARG 2 HE ARG 2 -15.423 5.526 -0.921
13 HH11 ARG 2 1HH1 ARG 2 -18.132 3.824 -2.294
14 HH12 ARG 2 2HH1 ARG 2 -19.194 5.191 -2.223
15 HH21 ARG 2 1HH2 ARG 2 -16.812 7.334 -0.824
16 HH22 ARG 2 2HH2 ARG 2 -18.441 7.187 -1.388
17 H TYR 3 H TYR 3 -9.626 1.977 -1.516
18 HA TYR 3 HA TYR 3 -9.124 1.503 -4.305
19 HB2 TYR 3 1HB TYR 3 -9.309 3.909 -4.410
20 HB3 TYR 3 2HB TYR 3 -8.219 4.093 -3.034
21 HD1 TYR 3 2HD TYR 3 -8.126 2.319 -6.333
22 HD2 TYR 3 1HD TYR 3 -6.104 4.829 -3.552
23 HE1 TYR 3 2HE TYR 3 -6.195 2.438 -7.851
24 HE2 TYR 3 1HE TYR 3 -4.168 4.953 -5.065
25 HH TYR 3 HH TYR 3 -3.184 3.905 -6.886
26 H ARG 4 H ARG 4 -7.022 0.747 -4.713
27 HA ARG 4 HA ARG 4 -5.586 -0.079 -2.292
28 HB2 ARG 4 1HB ARG 4 -6.446 -1.729 -4.090
29 HB3 ARG 4 2HB ARG 4 -5.075 -1.155 -5.051
30 HG2 ARG 4 1HG ARG 4 -3.577 -1.784 -3.134
31 HG3 ARG 4 2HG ARG 4 -4.985 -2.565 -2.397
32 HD2 ARG 4 1HD ARG 4 -5.090 -3.629 -4.891
33 HD3 ARG 4 2HD ARG 4 -3.347 -3.398 -4.699
34 HE ARG 4 HE ARG 4 -4.570 -4.678 -2.442
35 HH11 ARG 4 1HH1 ARG 4 -3.208 -5.172 -5.607
36 HH12 ARG 4 2HH1 ARG 4 -2.795 -6.829 -5.313
37 HH21 ARG 4 1HH2 ARG 4 -4.032 -6.857 -2.042
38 HH22 ARG 4 2HH2 ARG 4 -3.263 -7.786 -3.285
39 H ARG 5 H ARG 5 -3.836 1.030 -1.754
40 HA ARG 5 HA ARG 5 -2.360 2.457 -3.862
41 HB2 ARG 5 1HB ARG 5 -2.260 2.921 -0.872
42 HB3 ARG 5 2HB ARG 5 -1.549 3.940 -2.133
43 HG2 ARG 5 1HG ARG 5 -4.013 4.130 -2.988
44 HG3 ARG 5 2HG ARG 5 -4.404 3.649 -1.329
45 HD2 ARG 5 1HD ARG 5 -3.757 5.628 -0.452
46 HD3 ARG 5 2HD ARG 5 -2.373 5.761 -1.550
47 HE ARG 5 HE ARG 5 -5.018 6.834 -1.954
48 HH11 ARG 5 1HH1 ARG 5 -2.030 5.873 -3.458
49 HH12 ARG 5 2HH1 ARG 5 -2.258 6.877 -4.851
50 HH21 ARG 5 1HH2 ARG 5 -5.329 8.161 -3.782
51 HH22 ARG 5 2HH2 ARG 5 -4.133 8.180 -5.034
52 H CYS 6 H CYS 6 0.004 2.610 -3.574
53 HA CYS 6 HA CYS 6 1.194 0.367 -2.116
54 HB2 CYS 6 1HB CYS 6 1.405 0.896 -5.069
55 HB3 CYS 6 2HB CYS 6 2.662 -0.006 -4.204
56 H ILE 7 H ILE 7 2.740 1.165 -0.871
57 HA ILE 7 HA ILE 7 4.209 3.545 -1.793
58 HB ILE 7 HB ILE 7 4.752 3.909 0.620
59 HG12 ILE 7 1HG1 ILE 7 2.495 2.041 1.275
60 HG13 ILE 7 2HG1 ILE 7 4.146 1.414 1.119
61 HG21 ILE 7 1HG2 ILE 7 1.784 3.847 0.136
62 HG22 ILE 7 2HG2 ILE 7 2.700 4.978 1.129
63 HG23 ILE 7 3HG2 ILE 7 2.861 5.016 -0.628
64 HD11 ILE 7 3HD1 ILE 7 4.736 3.330 2.783
65 HD12 ILE 7 1HD1 ILE 7 3.017 3.250 3.171
66 HD13 ILE 7 2HD1 ILE 7 4.034 1.822 3.368
67 HA PRO 8 HA PRO 8 7.986 1.308 -1.870
68 HB2 PRO 8 1HB PRO 8 9.768 3.255 -1.134
69 HB3 PRO 8 2HB PRO 8 8.958 3.217 -2.700
70 HG2 PRO 8 1HG PRO 8 8.249 4.763 -0.230
71 HG3 PRO 8 2HG PRO 8 8.311 5.319 -1.945
72 HD2 PRO 8 1HD PRO 8 5.985 4.705 -0.688
73 HD3 PRO 8 2HD PRO 8 6.246 4.413 -2.416
74 H GLY 9 H GLY 9 8.718 -0.170 -0.482
75 HA2 GLY 9 2HA GLY 9 8.774 0.502 2.384
76 HA3 GLY 9 3HA GLY 9 8.655 -1.122 1.724
77 H MET 10 H MET 10 10.425 -1.342 3.408
78 HA MET 10 HA MET 10 13.034 -0.490 2.370
79 HB2 MET 10 1HB MET 10 12.153 -0.234 4.856
80 HB3 MET 10 2HB MET 10 12.743 -1.899 4.984
81 HG2 MET 10 1HG MET 10 14.514 -0.528 5.714
82 HG3 MET 10 2HG MET 10 14.943 -1.075 4.093
83 HE1 MET 10 3HE MET 10 15.575 2.946 5.387
84 HE2 MET 10 1HE MET 10 15.301 1.491 6.346
85 HE3 MET 10 2HE MET 10 16.598 1.528 5.151
86 H PHE 11 H PHE 11 11.037 -3.272 2.884
87 HA PHE 11 HA PHE 11 13.241 -5.006 1.978
88 HB2 PHE 11 1HB PHE 11 10.804 -5.888 3.538
89 HB3 PHE 11 2HB PHE 11 12.244 -6.841 3.173
90 HD1 PHE 11 1HD PHE 11 14.494 -5.965 4.103
91 HD2 PHE 11 2HD PHE 11 10.682 -4.771 5.572
92 HE1 PHE 11 1HE PHE 11 15.533 -5.255 6.219
93 HE2 PHE 11 2HE PHE 11 11.714 -4.060 7.688
94 HZ PHE 11 HZ PHE 11 14.144 -4.300 8.014
95 H ARG 12 H ARG 12 9.793 -4.300 1.717
96 HA ARG 12 HA ARG 12 9.799 -5.186 -1.031
97 HB2 ARG 12 1HB ARG 12 7.683 -6.606 -0.533
98 HB3 ARG 12 2HB ARG 12 9.281 -7.305 -0.234
99 HG2 ARG 12 1HG ARG 12 9.097 -7.030 2.101
100 HG3 ARG 12 2HG ARG 12 7.692 -5.965 1.930
101 HD2 ARG 12 1HD ARG 12 7.047 -8.222 2.678
102 HD3 ARG 12 2HD ARG 12 6.349 -7.807 1.107
103 HE ARG 12 HE ARG 12 8.789 -9.177 0.737
104 HH11 ARG 12 1HH1 ARG 12 5.495 -9.704 1.732
105 HH12 ARG 12 2HH1 ARG 12 5.470 -11.361 1.227
106 HH21 ARG 12 1HH2 ARG 12 8.769 -11.356 0.068
107 HH22 ARG 12 2HH2 ARG 12 7.333 -12.301 0.281
108 H ALA 13 H ALA 13 7.595 -4.834 -2.038
109 HA ALA 13 HA ALA 13 6.757 -2.196 -1.580
110 HB1 ALA 13 1HB ALA 13 4.779 -3.886 -2.907
111 HB2 ALA 13 2HB ALA 13 5.623 -2.451 -3.490
112 HB3 ALA 13 3HB ALA 13 6.404 -4.029 -3.579
113 H TYR 14 H TYR 14 5.259 -1.317 -0.288
114 HA TYR 14 HA TYR 14 3.588 -3.145 1.306
115 HB2 TYR 14 1HB TYR 14 5.390 -1.603 2.395
116 HB3 TYR 14 2HB TYR 14 4.206 -0.323 2.125
117 HD1 TYR 14 1HD TYR 14 1.788 -0.785 3.014
118 HD2 TYR 14 2HD TYR 14 5.261 -2.835 4.371
119 HE1 TYR 14 1HE TYR 14 0.607 -1.402 5.082
120 HE2 TYR 14 2HE TYR 14 4.092 -3.455 6.443
121 HH TYR 14 HH TYR 14 1.289 -3.709 6.969
122 H CYS 15 H CYS 15 1.707 -3.240 0.187
123 HA CYS 15 HA CYS 15 0.455 -0.724 -0.658
124 HB2 CYS 15 1HB CYS 15 -0.314 -3.569 -1.331
125 HB3 CYS 15 2HB CYS 15 -1.009 -2.103 -2.040
126 H TYR 16 H TYR 16 -1.817 -0.394 -0.237
127 HA TYR 16 HA TYR 16 -3.077 -1.999 1.818
128 HB2 TYR 16 1HB TYR 16 -3.461 -0.009 3.297
129 HB3 TYR 16 2HB TYR 16 -1.788 -0.567 3.241
130 HD1 TYR 16 2HD TYR 16 -4.076 2.118 2.219
131 HD2 TYR 16 1HD TYR 16 -0.038 0.772 2.255
132 HE1 TYR 16 2HE TYR 16 -3.324 4.374 1.589
133 HE2 TYR 16 1HE TYR 16 0.723 3.025 1.627
134 HH TYR 16 HH TYR 16 -0.807 5.171 0.260
135 H MET 17 H MET 17 -5.245 -0.870 2.459
136 HA MET 17 HA MET 17 -6.502 -0.022 -0.054
137 HB2 MET 17 1HB MET 17 -7.432 -1.539 2.340
138 HB3 MET 17 2HB MET 17 -8.621 -0.559 1.465
139 HG2 MET 17 1HG MET 17 -7.982 -1.751 -0.631
140 HG3 MET 17 2HG MET 17 -6.951 -2.799 0.348
141 HE1 MET 17 3HE MET 17 -10.461 -3.284 -1.344
142 HE2 MET 17 1HE MET 17 -8.781 -3.771 -1.565
143 HE3 MET 17 2HE MET 17 -9.943 -4.902 -0.873
144 H ASP 18 H ASP 18 -6.131 2.175 -0.037
145 HA ASP 18 HA ASP 18 -6.646 3.792 2.275
146 HB2 ASP 18 1HB ASP 18 -4.970 4.327 0.460
147 HB3 ASP 18 2HB ASP 18 -6.341 4.725 -0.581
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -8.834 3.251 2.703
2 HA2 GLY 1 2HA GLY 1 -11.125 3.243 2.545
3 HA3 GLY 1 3HA GLY 1 -10.913 4.510 1.345
4 H ARG 2 H ARG 2 -11.686 4.092 -0.608
5 HA ARG 2 HA ARG 2 -12.268 1.304 -1.309
6 HB2 ARG 2 1HB ARG 2 -13.416 3.951 -2.135
7 HB3 ARG 2 2HB ARG 2 -13.609 2.538 -3.186
8 HG2 ARG 2 1HG ARG 2 -15.389 1.955 -2.008
9 HG3 ARG 2 2HG ARG 2 -14.321 1.669 -0.623
10 HD2 ARG 2 1HD ARG 2 -14.517 4.153 -0.119
11 HD3 ARG 2 2HD ARG 2 -15.818 4.186 -1.317
12 HE ARG 2 HE ARG 2 -17.201 3.185 0.204
13 HH11 ARG 2 1HH1 ARG 2 -13.899 2.789 1.237
14 HH12 ARG 2 2HH1 ARG 2 -14.324 2.113 2.776
15 HH21 ARG 2 1HH2 ARG 2 -17.772 2.298 2.227
16 HH22 ARG 2 2HH2 ARG 2 -16.528 1.833 3.336
17 H TYR 3 H TYR 3 -9.614 2.001 -1.517
18 HA TYR 3 HA TYR 3 -9.134 1.496 -4.303
19 HB2 TYR 3 1HB TYR 3 -9.302 3.898 -4.442
20 HB3 TYR 3 2HB TYR 3 -8.213 4.096 -3.068
21 HD1 TYR 3 1HD TYR 3 -8.132 2.294 -6.350
22 HD2 TYR 3 2HD TYR 3 -6.086 4.799 -3.585
23 HE1 TYR 3 1HE TYR 3 -6.201 2.385 -7.871
24 HE2 TYR 3 2HE TYR 3 -4.151 4.899 -5.099
25 HH TYR 3 HH TYR 3 -3.635 4.598 -7.453
26 H ARG 4 H ARG 4 -7.040 0.722 -4.717
27 HA ARG 4 HA ARG 4 -5.598 -0.097 -2.299
28 HB2 ARG 4 1HB ARG 4 -6.462 -1.740 -4.109
29 HB3 ARG 4 2HB ARG 4 -5.079 -1.172 -5.055
30 HG2 ARG 4 1HG ARG 4 -3.749 -2.594 -4.004
31 HG3 ARG 4 2HG ARG 4 -4.140 -1.817 -2.461
32 HD2 ARG 4 1HD ARG 4 -6.110 -3.247 -2.212
33 HD3 ARG 4 2HD ARG 4 -5.754 -4.000 -3.773
34 HE ARG 4 HE ARG 4 -3.491 -4.314 -2.205
35 HH11 ARG 4 1HH1 ARG 4 -6.830 -5.300 -2.150
36 HH12 ARG 4 2HH1 ARG 4 -6.516 -6.771 -1.290
37 HH21 ARG 4 1HH2 ARG 4 -3.066 -6.250 -1.073
38 HH22 ARG 4 2HH2 ARG 4 -4.375 -7.311 -0.678
39 H ARG 5 H ARG 5 -3.865 1.037 -1.758
40 HA ARG 5 HA ARG 5 -2.380 2.451 -3.863
41 HB2 ARG 5 1HB ARG 5 -2.302 2.916 -0.874
42 HB3 ARG 5 2HB ARG 5 -1.559 3.925 -2.124
43 HG2 ARG 5 1HG ARG 5 -3.960 4.216 -3.026
44 HG3 ARG 5 2HG ARG 5 -4.452 3.624 -1.431
45 HD2 ARG 5 1HD ARG 5 -4.434 5.985 -1.259
46 HD3 ARG 5 2HD ARG 5 -2.972 5.418 -0.442
47 HE ARG 5 HE ARG 5 -1.692 6.436 -2.057
48 HH11 ARG 5 1HH1 ARG 5 -5.019 6.349 -3.080
49 HH12 ARG 5 2HH1 ARG 5 -4.767 7.401 -4.432
50 HH21 ARG 5 1HH2 ARG 5 -1.347 7.822 -3.836
51 HH22 ARG 5 2HH2 ARG 5 -2.678 8.238 -4.861
52 H CYS 6 H CYS 6 -0.012 2.613 -3.559
53 HA CYS 6 HA CYS 6 1.172 0.361 -2.109
54 HB2 CYS 6 1HB CYS 6 1.407 0.913 -5.058
55 HB3 CYS 6 2HB CYS 6 2.651 0.000 -4.188
56 H ILE 7 H ILE 7 2.709 1.154 -0.850
57 HA ILE 7 HA ILE 7 4.172 3.548 -1.739
58 HB ILE 7 HB ILE 7 4.717 3.874 0.678
59 HG12 ILE 7 1HG1 ILE 7 2.493 1.911 1.220
60 HG13 ILE 7 2HG1 ILE 7 4.194 1.414 1.211
61 HG21 ILE 7 1HG2 ILE 7 1.749 3.816 0.201
62 HG22 ILE 7 2HG2 ILE 7 2.670 4.938 1.200
63 HG23 ILE 7 3HG2 ILE 7 2.822 4.994 -0.556
64 HD11 ILE 7 3HD1 ILE 7 4.680 3.015 2.989
65 HD12 ILE 7 1HD1 ILE 7 2.982 3.493 3.017
66 HD13 ILE 7 2HD1 ILE 7 3.445 1.853 3.471
67 HA PRO 8 HA PRO 8 7.960 1.331 -1.853
68 HB2 PRO 8 1HB PRO 8 9.732 3.274 -1.088
69 HB3 PRO 8 2HB PRO 8 8.923 3.258 -2.653
70 HG2 PRO 8 1HG PRO 8 8.207 4.762 -0.158
71 HG3 PRO 8 2HG PRO 8 8.266 5.344 -1.863
72 HD2 PRO 8 1HD PRO 8 5.943 4.699 -0.617
73 HD3 PRO 8 2HD PRO 8 6.205 4.436 -2.349
74 H GLY 9 H GLY 9 8.699 -0.166 -0.490
75 HA2 GLY 9 2HA GLY 9 8.740 0.450 2.387
76 HA3 GLY 9 3HA GLY 9 8.654 -1.162 1.693
77 H MET 10 H MET 10 10.421 -1.323 3.420
78 HA MET 10 HA MET 10 13.016 -0.427 2.396
79 HB2 MET 10 1HB MET 10 12.116 -0.217 4.882
80 HB3 MET 10 2HB MET 10 12.741 -1.872 4.992
81 HG2 MET 10 1HG MET 10 14.919 -1.230 4.809
82 HG3 MET 10 2HG MET 10 14.526 0.180 3.823
83 HE1 MET 10 3HE MET 10 16.462 1.737 6.344
84 HE2 MET 10 1HE MET 10 16.363 0.300 7.360
85 HE3 MET 10 2HE MET 10 16.606 0.134 5.621
86 H PHE 11 H PHE 11 11.074 -3.252 2.864
87 HA PHE 11 HA PHE 11 13.315 -4.926 1.931
88 HB2 PHE 11 1HB PHE 11 10.923 -5.882 3.519
89 HB3 PHE 11 2HB PHE 11 12.380 -6.795 3.123
90 HD1 PHE 11 1HD PHE 11 11.039 -4.080 5.207
91 HD2 PHE 11 2HD PHE 11 14.388 -6.574 4.384
92 HE1 PHE 11 1HE PHE 11 12.089 -3.361 7.312
93 HE2 PHE 11 2HE PHE 11 15.443 -5.859 6.487
94 HZ PHE 11 HZ PHE 11 14.293 -4.250 7.955
95 H ARG 12 H ARG 12 9.846 -4.305 1.723
96 HA ARG 12 HA ARG 12 9.841 -5.196 -1.029
97 HB2 ARG 12 1HB ARG 12 7.741 -6.630 -0.503
98 HB3 ARG 12 2HB ARG 12 9.347 -7.314 -0.209
99 HG2 ARG 12 1HG ARG 12 8.168 -5.883 2.078
100 HG3 ARG 12 2HG ARG 12 7.321 -7.356 1.575
101 HD2 ARG 12 1HD ARG 12 9.275 -8.694 1.857
102 HD3 ARG 12 2HD ARG 12 10.292 -7.259 2.049
103 HE ARG 12 HE ARG 12 9.751 -7.242 4.261
104 HH11 ARG 12 1HH1 ARG 12 7.323 -9.049 2.541
105 HH12 ARG 12 2HH1 ARG 12 6.484 -9.538 3.976
106 HH21 ARG 12 1HH2 ARG 12 8.654 -7.878 6.158
107 HH22 ARG 12 2HH2 ARG 12 7.242 -8.870 6.032
108 H ALA 13 H ALA 13 7.623 -4.868 -2.018
109 HA ALA 13 HA ALA 13 6.769 -2.233 -1.568
110 HB1 ALA 13 1HB ALA 13 4.855 -2.865 -3.075
111 HB2 ALA 13 2HB ALA 13 6.468 -3.159 -3.728
112 HB3 ALA 13 3HB ALA 13 5.513 -4.501 -3.094
113 H TYR 14 H TYR 14 5.184 -1.353 -0.359
114 HA TYR 14 HA TYR 14 3.556 -3.188 1.273
115 HB2 TYR 14 1HB TYR 14 5.367 -1.643 2.358
116 HB3 TYR 14 2HB TYR 14 4.166 -0.373 2.114
117 HD1 TYR 14 2HD TYR 14 1.764 -0.867 3.019
118 HD2 TYR 14 1HD TYR 14 5.266 -2.902 4.319
119 HE1 TYR 14 2HE TYR 14 0.609 -1.516 5.092
120 HE2 TYR 14 1HE TYR 14 4.122 -3.558 6.396
121 HH TYR 14 HH TYR 14 2.277 -3.371 7.618
122 H CYS 15 H CYS 15 1.676 -3.272 0.156
123 HA CYS 15 HA CYS 15 0.426 -0.747 -0.670
124 HB2 CYS 15 1HB CYS 15 -0.347 -3.584 -1.372
125 HB3 CYS 15 2HB CYS 15 -1.035 -2.110 -2.069
126 H TYR 16 H TYR 16 -1.841 -0.412 -0.241
127 HA TYR 16 HA TYR 16 -3.110 -2.040 1.788
128 HB2 TYR 16 1HB TYR 16 -3.484 -0.075 3.299
129 HB3 TYR 16 2HB TYR 16 -1.811 -0.635 3.232
130 HD1 TYR 16 2HD TYR 16 -4.096 2.064 2.222
131 HD2 TYR 16 1HD TYR 16 -0.058 0.724 2.302
132 HE1 TYR 16 2HE TYR 16 -3.340 4.326 1.629
133 HE2 TYR 16 1HE TYR 16 0.708 2.984 1.709
134 HH TYR 16 HH TYR 16 0.039 5.010 0.926
135 H MET 17 H MET 17 -5.273 -0.907 2.446
136 HA MET 17 HA MET 17 -6.529 -0.034 -0.057
137 HB2 MET 17 1HB MET 17 -7.460 -1.536 2.343
138 HB3 MET 17 2HB MET 17 -8.644 -0.535 1.489
139 HG2 MET 17 1HG MET 17 -8.048 -1.728 -0.622
140 HG3 MET 17 2HG MET 17 -7.031 -2.800 0.343
141 HE1 MET 17 3HE MET 17 -8.595 -4.796 -0.891
142 HE2 MET 17 1HE MET 17 -10.355 -4.781 -0.756
143 HE3 MET 17 2HE MET 17 -9.526 -3.493 -1.631
144 H ASP 18 H ASP 18 -6.111 2.157 -0.042
145 HA ASP 18 HA ASP 18 -6.601 3.787 2.265
146 HB2 ASP 18 1HB ASP 18 -4.923 4.271 0.414
147 HB3 ASP 18 2HB ASP 18 -6.305 4.741 -0.582