Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
633281 | 5z5r RC | 36158 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H LYS 1 1.806 0.000 0.856
2 HA LYS 1 HA LYS 1 1.769 0.840 -1.833
3 HB2 LYS 1 2HB LYS 1 3.760 -0.084 0.098
4 HB3 LYS 1 3HB LYS 1 4.136 -0.556 -1.554
5 HG2 LYS 1 2HG LYS 1 3.959 1.783 -2.256
6 HG3 LYS 1 3HG LYS 1 3.606 2.248 -0.591
7 HD2 LYS 1 2HD LYS 1 5.759 2.001 0.074
8 HD3 LYS 1 3HD LYS 1 6.050 0.641 -1.013
9 HE2 LYS 1 2HE LYS 1 5.574 3.122 -2.445
10 HE3 LYS 1 3HE LYS 1 6.945 3.240 -1.343
11 HZ1 LYS 1 1HZ LYS 1 7.337 0.848 -2.530
12 HZ2 LYS 1 2HZ LYS 1 8.078 2.294 -2.999
13 HZ3 LYS 1 3HZ LYS 1 6.686 1.759 -3.798
14 H LYS 2 H LYS 2 0.370 -0.404 -3.052
15 HA LYS 2 HA LYS 2 1.000 -3.262 -3.313
16 HB2 LYS 2 2HB LYS 2 -1.459 -1.646 -3.615
17 HB3 LYS 2 3HB LYS 2 -1.255 -2.949 -4.780
18 HG2 LYS 2 2HG LYS 2 -2.301 -4.153 -3.199
19 HG3 LYS 2 3HG LYS 2 -0.680 -4.267 -2.510
20 HD2 LYS 2 2HD LYS 2 -1.910 -3.587 -0.682
21 HD3 LYS 2 3HD LYS 2 -1.340 -2.041 -1.315
22 HE2 LYS 2 2HE LYS 2 -3.507 -1.459 -1.189
23 HE3 LYS 2 3HE LYS 2 -3.645 -2.347 -2.706
24 HZ1 LYS 2 1HZ LYS 2 -4.559 -4.172 -1.650
25 HZ2 LYS 2 2HZ LYS 2 -5.264 -2.885 -0.807
26 HZ3 LYS 2 3HZ LYS 2 -3.970 -3.735 -0.125
27 H LYS 3 H LYS 3 0.043 -0.529 -5.400
28 HA LYS 3 HA LYS 3 0.691 -1.634 -7.844
29 HB2 LYS 3 2HB LYS 3 0.299 1.066 -6.784
30 HB3 LYS 3 3HB LYS 3 1.389 1.016 -8.163
31 HG2 LYS 3 2HG LYS 3 -0.366 -0.255 -9.405
32 HG3 LYS 3 3HG LYS 3 -1.455 0.040 -8.047
33 HD2 LYS 3 2HD LYS 3 -0.255 2.512 -8.783
34 HD3 LYS 3 3HD LYS 3 -0.867 1.737 -10.246
35 HE2 LYS 3 2HE LYS 3 -3.035 1.384 -9.013
36 HE3 LYS 3 3HE LYS 3 -2.391 2.419 -7.739
37 HZ1 LYS 3 1HZ LYS 3 -1.979 3.995 -9.793
38 HZ2 LYS 3 2HZ LYS 3 -3.462 3.966 -8.980
39 HZ3 LYS 3 3HZ LYS 3 -3.277 3.120 -10.434
40 H SER 4 H SER 4 2.541 -2.619 -8.339
41 HA SER 4 HA SER 4 5.056 -1.194 -7.782
42 HB2 SER 4 2HB SER 4 4.854 -3.087 -6.232
43 HB3 SER 4 3HB SER 4 4.605 -4.183 -7.591
44 HG SER 4 HG SER 4 6.866 -3.678 -6.553
45 H GLY 5 H GLY 5 3.625 -3.836 -9.704
46 HA2 GLY 5 2HA GLY 5 3.637 -3.949 -12.059
47 HA3 GLY 5 3HA GLY 5 4.894 -2.721 -12.089
48 H VAL 6 H VAL 6 4.481 -6.003 -10.748
49 HA VAL 6 HA VAL 6 7.206 -6.683 -10.896
50 HB VAL 6 HB VAL 6 4.794 -8.504 -10.903
51 HG11 VAL 6 1HG1 VAL 6 6.892 -9.842 -9.711
52 HG12 VAL 6 2HG1 VAL 6 6.269 -10.121 -11.338
53 HG13 VAL 6 3HG1 VAL 6 7.644 -9.043 -11.092
54 HG21 VAL 6 1HG2 VAL 6 6.558 -7.856 -8.562
55 HG22 VAL 6 2HG2 VAL 6 5.153 -6.869 -8.964
56 HG23 VAL 6 3HG2 VAL 6 4.947 -8.574 -8.567
57 H ILE 7 H ILE 7 4.729 -8.384 -12.779
58 HA ILE 7 HA ILE 7 6.272 -7.949 -15.225
59 HB ILE 7 HB ILE 7 5.483 -10.699 -14.255
60 HG12 ILE 7 2HG1 ILE 7 8.246 -9.559 -14.712
61 HG13 ILE 7 3HG1 ILE 7 7.479 -9.668 -13.132
62 HG21 ILE 7 1HG2 ILE 7 5.264 -10.413 -16.684
63 HG22 ILE 7 2HG2 ILE 7 6.940 -9.872 -16.762
64 HG23 ILE 7 3HG2 ILE 7 6.569 -11.523 -16.265
65 HD11 ILE 7 1HD1 ILE 7 8.836 -11.701 -14.691
66 HD12 ILE 7 2HD1 ILE 7 8.466 -11.649 -12.967
67 HD13 ILE 7 3HD1 ILE 7 7.255 -12.224 -14.113
68 HA PRO 8 HA PRO 8 1.939 -7.368 -16.329
69 HB2 PRO 8 2HB PRO 8 2.479 -6.087 -18.660
70 HB3 PRO 8 3HB PRO 8 2.529 -5.281 -17.088
71 HG2 PRO 8 2HG PRO 8 4.782 -6.372 -18.729
72 HG3 PRO 8 3HG PRO 8 4.686 -4.843 -17.836
73 HD2 PRO 8 2HD PRO 8 5.985 -7.014 -16.872
74 HD3 PRO 8 3HD PRO 8 5.163 -5.847 -15.817
75 H DBB 9 H DBB 9 1.122 -9.321 -16.893
76 HA DBB 9 HA DBB 9 1.920 -10.443 -19.536
77 HB2 DBB 9 3HB DBB 9 -0.303 -9.759 -19.853
78 HG1 DBB 9 1HG DBB 9 -1.476 -11.749 -20.160
79 HG2 DBB 9 2HG DBB 9 0.173 -12.380 -19.938
80 HG3 DBB 9 3HG DBB 9 -0.979 -12.406 -18.582
81 H VAL 10 H VAL 10 0.966 -11.075 -16.204
82 HA VAL 10 HA VAL 10 1.977 -13.828 -16.514
83 HB VAL 10 HB VAL 10 2.619 -13.720 -14.117
84 HG11 VAL 10 1HG1 VAL 10 4.210 -13.259 -15.985
85 HG12 VAL 10 2HG1 VAL 10 3.913 -11.536 -15.742
86 HG13 VAL 10 3HG1 VAL 10 4.646 -12.496 -14.456
87 HG21 VAL 10 1HG2 VAL 10 1.732 -10.865 -14.433
88 HG22 VAL 10 2HG2 VAL 10 1.216 -12.045 -13.228
89 HG23 VAL 10 3HG2 VAL 10 2.846 -11.375 -13.165
90 H DAL 11 H DAL 11 -0.630 -11.836 -15.547
91 HA DAL 11 HA DAL 11 -2.752 -12.285 -14.731
92 HB1 DAL 11 2HB DAL 11 -2.729 -14.254 -12.960
93 HB2 DAL 11 3HB DAL 11 -0.963 -14.098 -13.107
94 H HIS 12 H HIS 12 -4.420 -14.061 -14.618
95 HA HIS 12 HA HIS 12 -3.814 -16.328 -16.367
96 HB2 HIS 12 2HB HIS 12 -5.592 -15.891 -14.132
97 HB3 HIS 12 3HB HIS 12 -6.490 -16.490 -15.524
98 HD1 HIS 12 HD1 HIS 12 -5.015 -17.777 -12.661
99 HD2 HIS 12 HD2 HIS 12 -4.759 -18.827 -16.672
100 HE1 HIS 12 HE1 HIS 12 -4.231 -20.166 -12.681
101 H ASP 13 H ASP 13 -5.519 -13.325 -16.308
102 HA ASP 13 HA ASP 13 -6.435 -13.829 -19.054
103 HB2 ASP 13 2HB ASP 13 -8.449 -12.344 -18.434
104 HB3 ASP 13 3HB ASP 13 -8.461 -14.018 -17.886
105 H CYS 14 H CYS 14 -4.353 -12.177 -17.316
106 HA CYS 14 HA CYS 14 -4.716 -9.474 -17.714
107 HB2 CYS 14 2HB CYS 14 -2.844 -9.971 -16.445
108 HB3 CYS 14 3HB CYS 14 -2.294 -11.222 -17.556
109 H HIS 15 H HIS 15 -4.545 -8.078 -19.384
110 HA HIS 15 HA HIS 15 -3.494 -9.038 -21.941
111 HB2 HIS 15 2HB HIS 15 -6.070 -9.269 -21.731
112 HB3 HIS 15 3HB HIS 15 -6.085 -7.515 -21.882
113 HD1 HIS 15 HD1 HIS 15 -6.983 -9.969 -23.947
114 HD2 HIS 15 HD2 HIS 15 -3.906 -7.201 -24.305
115 HE1 HIS 15 HE1 HIS 15 -6.489 -9.827 -26.409
116 H MET 16 H MET 16 -1.988 -7.453 -20.494
117 HA MET 16 HA MET 16 -0.808 -5.509 -20.543
118 HB2 MET 16 2HB MET 16 -1.295 -5.859 -23.068
119 HB3 MET 16 3HB MET 16 -2.466 -4.564 -22.862
120 HG2 MET 16 2HG MET 16 -0.889 -2.982 -22.749
121 HG3 MET 16 3HG MET 16 0.187 -3.981 -21.775
122 HE1 MET 16 1HE MET 16 0.951 -2.012 -24.745
123 HE2 MET 16 2HE MET 16 0.428 -3.000 -26.109
124 HE3 MET 16 3HE MET 16 -0.746 -2.466 -24.905
125 H ASN 17 H ASN 17 -1.902 -5.009 -18.533
126 HA ASN 17 HA ASN 17 -3.584 -2.617 -18.800
127 HB2 ASN 17 2HB ASN 17 -4.119 -5.045 -17.103
128 HB3 ASN 17 3HB ASN 17 -4.786 -3.470 -16.683
129 HD21 ASN 17 1HD2 ASN 17 -6.201 -2.445 -18.196
130 HD22 ASN 17 2HD2 ASN 17 -7.129 -3.399 -19.297
131 H DAL 18 H DAL 18 -2.406 -4.477 -16.011
132 HA DAL 18 HA DAL 18 -0.320 -2.573 -15.359
133 HB1 DAL 18 2HB DAL 18 -0.123 -3.951 -13.273
134 HB2 DAL 18 3HB DAL 18 -1.562 -4.869 -13.779
135 H PHE 19 H PHE 19 -3.050 -3.696 -13.364
136 HA PHE 19 HA PHE 19 -3.519 -0.895 -12.587
137 HB2 PHE 19 2HB PHE 19 -5.361 -3.236 -12.919
138 HB3 PHE 19 3HB PHE 19 -5.794 -1.936 -11.813
139 HD1 PHE 19 HD1 PHE 19 -7.346 -0.520 -12.715
140 HD2 PHE 19 HD2 PHE 19 -4.285 -2.085 -15.226
141 HE1 PHE 19 HE1 PHE 19 -8.228 0.790 -14.602
142 HE2 PHE 19 HE2 PHE 19 -5.162 -0.776 -17.116
143 HZ PHE 19 HZ PHE 19 -7.135 0.665 -16.805
144 H GLN 20 H GLN 20 -3.184 -4.195 -11.405
145 HA GLN 20 HA GLN 20 -1.956 -3.463 -9.007
146 HB2 GLN 20 2HB GLN 20 -4.715 -3.028 -8.904
147 HB3 GLN 20 3HB GLN 20 -4.468 -4.546 -8.051
148 HG2 GLN 20 2HG GLN 20 -3.059 -3.553 -6.462
149 HG3 GLN 20 3HG GLN 20 -2.845 -2.102 -7.440
150 HE21 GLN 20 1HE2 GLN 20 -5.507 -3.984 -6.030
151 HE22 GLN 20 2HE2 GLN 20 -6.379 -2.619 -5.430
152 H PHE 21 H PHE 21 -1.325 -5.256 -7.756
153 HA PHE 21 HA PHE 21 -1.745 -7.830 -9.110
154 HB2 PHE 21 2HB PHE 21 0.519 -6.738 -7.459
155 HB3 PHE 21 3HB PHE 21 0.339 -8.470 -7.720
156 HD1 PHE 21 HD1 PHE 21 0.165 -5.369 -9.797
157 HD2 PHE 21 HD2 PHE 21 1.659 -9.332 -9.374
158 HE1 PHE 21 HE1 PHE 21 1.327 -5.158 -11.956
159 HE2 PHE 21 HE2 PHE 21 2.824 -9.127 -11.531
160 HZ PHE 21 HZ PHE 21 2.660 -7.038 -12.825
161 H VAL 22 H VAL 22 -3.585 -8.583 -8.132
162 HA VAL 22 HA VAL 22 -3.921 -8.517 -5.275
163 HB VAL 22 HB VAL 22 -5.530 -10.101 -7.278
164 HG11 VAL 22 1HG1 VAL 22 -7.282 -9.472 -5.394
165 HG12 VAL 22 2HG1 VAL 22 -6.248 -10.896 -5.264
166 HG13 VAL 22 3HG1 VAL 22 -5.825 -9.416 -4.403
167 HG21 VAL 22 1HG2 VAL 22 -5.689 -7.219 -6.461
168 HG22 VAL 22 2HG2 VAL 22 -5.697 -7.914 -8.082
169 HG23 VAL 22 3HG2 VAL 22 -7.109 -8.089 -7.041
170 H PHE 23 H PHE 23 -2.282 -10.526 -7.435
171 HA PHE 23 HA PHE 23 -1.399 -12.290 -5.428
172 HB2 PHE 23 2HB PHE 23 -3.773 -13.126 -5.811
173 HB3 PHE 23 3HB PHE 23 -3.239 -13.624 -7.413
174 HD1 PHE 23 HD1 PHE 23 -2.538 -15.790 -7.678
175 HD2 PHE 23 HD2 PHE 23 -2.193 -13.966 -3.848
176 HE1 PHE 23 HE1 PHE 23 -1.717 -17.913 -6.744
177 HE2 PHE 23 HE2 PHE 23 -1.371 -16.086 -2.908
178 HZ PHE 23 HZ PHE 23 -1.131 -18.063 -4.357
179 H DBU 24 H DBU 24 -0.405 -10.655 -7.607
180 HB DBU 24 HB DBU 24 2.741 -12.165 -9.552
181 HG1 DBU 24 1HG DBU 24 1.953 -12.532 -6.578
182 HG2 DBU 24 2HG DBU 24 3.502 -11.910 -7.160
183 HG3 DBU 24 3HG DBU 24 3.025 -13.581 -7.514
184 H CYS 25 H CYS 25 -1.508 -11.447 -9.873
185 HA CYS 25 HA CYS 25 -0.725 -11.382 -12.628
186 HB2 CYS 25 2HB CYS 25 -3.431 -10.639 -11.518
187 HB3 CYS 25 3HB CYS 25 -3.053 -11.249 -13.125
188 H CYS 26 H CYS 26 -1.449 -9.617 -14.101
189 HA CYS 26 HA CYS 26 -1.124 -6.977 -12.832
190 HB2 CYS 26 2HB CYS 26 0.901 -7.693 -14.085
191 HB3 CYS 26 3HB CYS 26 -0.077 -7.811 -15.544
192 H SER 27 H SER 27 -3.567 -7.315 -12.854
193 HA SER 27 HA SER 27 -4.616 -6.128 -15.328
194 HB2 SER 27 2HB SER 27 -6.521 -7.559 -15.357
195 HB3 SER 27 3HB SER 27 -5.124 -8.616 -15.159
196 HG SER 27 HG SER 27 -7.001 -7.797 -13.208
Start of MODEL 2
1 H1 LYS 1 H LYS 1 4.813 3.848 -7.828
2 HA LYS 1 HA LYS 1 3.555 1.945 -7.555
3 HB2 LYS 1 2HB LYS 1 6.243 0.585 -7.715
4 HB3 LYS 1 3HB LYS 1 4.693 -0.023 -8.282
5 HG2 LYS 1 2HG LYS 1 5.247 0.736 -10.288
6 HG3 LYS 1 3HG LYS 1 5.028 2.366 -9.648
7 HD2 LYS 1 2HD LYS 1 7.480 2.059 -8.809
8 HD3 LYS 1 3HD LYS 1 7.546 0.804 -10.048
9 HE2 LYS 1 2HE LYS 1 6.449 3.464 -10.796
10 HE3 LYS 1 3HE LYS 1 8.191 3.319 -10.567
11 HZ1 LYS 1 1HZ LYS 1 8.385 2.310 -12.515
12 HZ2 LYS 1 2HZ LYS 1 6.758 2.656 -12.821
13 HZ3 LYS 1 3HZ LYS 1 7.192 1.173 -12.133
14 H LYS 2 H LYS 2 2.631 1.697 -5.608
15 HA LYS 2 HA LYS 2 4.200 0.319 -3.531
16 HB2 LYS 2 2HB LYS 2 3.839 2.702 -2.949
17 HB3 LYS 2 3HB LYS 2 2.103 2.447 -3.061
18 HG2 LYS 2 2HG LYS 2 2.304 0.750 -1.249
19 HG3 LYS 2 3HG LYS 2 3.999 1.211 -1.079
20 HD2 LYS 2 2HD LYS 2 3.257 3.546 -0.648
21 HD3 LYS 2 3HD LYS 2 1.586 2.978 -0.676
22 HE2 LYS 2 2HE LYS 2 1.724 2.218 1.416
23 HE3 LYS 2 3HE LYS 2 3.237 1.376 1.084
24 HZ1 LYS 2 1HZ LYS 2 4.167 2.885 2.404
25 HZ2 LYS 2 2HZ LYS 2 2.800 3.881 2.395
26 HZ3 LYS 2 3HZ LYS 2 3.945 4.005 1.156
27 H LYS 3 H LYS 3 0.882 1.123 -4.552
28 HA LYS 3 HA LYS 3 -0.497 -0.777 -3.103
29 HB2 LYS 3 2HB LYS 3 -0.979 0.681 -5.639
30 HB3 LYS 3 3HB LYS 3 -1.971 -0.744 -5.356
31 HG2 LYS 3 2HG LYS 3 -3.095 0.208 -3.629
32 HG3 LYS 3 3HG LYS 3 -1.723 1.203 -3.137
33 HD2 LYS 3 2HD LYS 3 -3.025 2.842 -4.025
34 HD3 LYS 3 3HD LYS 3 -2.214 2.327 -5.506
35 HE2 LYS 3 2HE LYS 3 -4.076 1.039 -6.187
36 HE3 LYS 3 3HE LYS 3 -4.830 1.154 -4.598
37 HZ1 LYS 3 1HZ LYS 3 -5.754 3.099 -5.110
38 HZ2 LYS 3 2HZ LYS 3 -5.377 2.747 -6.721
39 HZ3 LYS 3 3HZ LYS 3 -4.336 3.712 -5.801
40 H SER 4 H SER 4 0.935 -1.123 -6.338
41 HA SER 4 HA SER 4 1.477 -3.898 -5.903
42 HB2 SER 4 2HB SER 4 0.046 -4.293 -8.185
43 HB3 SER 4 3HB SER 4 -0.570 -4.622 -6.565
44 HG SER 4 HG SER 4 -1.141 -2.508 -8.300
45 H GLY 5 H GLY 5 2.272 -4.919 -8.056
46 HA2 GLY 5 2HA GLY 5 3.061 -3.936 -10.338
47 HA3 GLY 5 3HA GLY 5 4.049 -2.932 -9.286
48 H VAL 6 H VAL 6 3.218 -6.397 -9.495
49 HA VAL 6 HA VAL 6 5.874 -7.145 -8.657
50 HB VAL 6 HB VAL 6 3.538 -8.821 -9.582
51 HG11 VAL 6 1HG1 VAL 6 6.332 -9.504 -9.089
52 HG12 VAL 6 2HG1 VAL 6 5.193 -10.474 -8.152
53 HG13 VAL 6 3HG1 VAL 6 5.069 -10.419 -9.911
54 HG21 VAL 6 1HG2 VAL 6 3.184 -9.320 -7.279
55 HG22 VAL 6 2HG2 VAL 6 4.674 -8.501 -6.810
56 HG23 VAL 6 3HG2 VAL 6 3.309 -7.567 -7.421
57 H ILE 7 H ILE 7 4.097 -8.565 -11.367
58 HA ILE 7 HA ILE 7 6.249 -7.828 -13.203
59 HB ILE 7 HB ILE 7 5.374 -10.679 -12.730
60 HG12 ILE 7 2HG1 ILE 7 8.083 -9.363 -12.442
61 HG13 ILE 7 3HG1 ILE 7 7.018 -9.786 -11.106
62 HG21 ILE 7 1HG2 ILE 7 5.638 -10.292 -15.099
63 HG22 ILE 7 2HG2 ILE 7 7.205 -9.529 -14.830
64 HG23 ILE 7 3HG2 ILE 7 6.994 -11.249 -14.503
65 HD11 ILE 7 1HD1 ILE 7 8.418 -11.651 -12.999
66 HD12 ILE 7 2HD1 ILE 7 8.674 -11.470 -11.263
67 HD13 ILE 7 3HD1 ILE 7 7.170 -12.165 -11.865
68 HA PRO 8 HA PRO 8 2.439 -7.161 -15.489
69 HB2 PRO 8 2HB PRO 8 3.619 -5.771 -17.500
70 HB3 PRO 8 3HB PRO 8 3.227 -5.049 -15.935
71 HG2 PRO 8 2HG PRO 8 5.847 -6.096 -16.934
72 HG3 PRO 8 3HG PRO 8 5.510 -4.614 -16.021
73 HD2 PRO 8 2HD PRO 8 6.476 -6.858 -14.852
74 HD3 PRO 8 3HD PRO 8 5.394 -5.731 -14.008
75 H DBB 9 H DBB 9 2.003 -9.255 -16.176
76 HA DBB 9 HA DBB 9 3.404 -10.151 -18.648
77 HB2 DBB 9 3HB DBB 9 0.543 -10.910 -18.131
78 HG1 DBB 9 1HG DBB 9 -0.150 -8.788 -19.339
79 HG2 DBB 9 2HG DBB 9 0.444 -8.531 -17.680
80 HG3 DBB 9 3HG DBB 9 1.499 -8.173 -19.068
81 H VAL 10 H VAL 10 1.381 -11.165 -15.897
82 HA VAL 10 HA VAL 10 2.761 -13.769 -15.962
83 HB VAL 10 HB VAL 10 2.041 -12.105 -13.550
84 HG11 VAL 10 1HG1 VAL 10 2.962 -14.971 -13.700
85 HG12 VAL 10 2HG1 VAL 10 2.959 -14.002 -12.225
86 HG13 VAL 10 3HG1 VAL 10 1.440 -14.371 -13.042
87 HG21 VAL 10 1HG2 VAL 10 4.122 -11.423 -14.469
88 HG22 VAL 10 2HG2 VAL 10 4.491 -12.431 -13.070
89 HG23 VAL 10 3HG2 VAL 10 4.644 -13.093 -14.697
90 H DAL 11 H DAL 11 -0.192 -12.028 -15.704
91 HA DAL 11 HA DAL 11 -2.414 -12.679 -15.614
92 HB1 DAL 11 2HB DAL 11 -2.827 -14.789 -14.151
93 HB2 DAL 11 3HB DAL 11 -1.081 -14.730 -13.816
94 H HIS 12 H HIS 12 -3.890 -14.284 -16.464
95 HA HIS 12 HA HIS 12 -2.653 -16.420 -18.039
96 HB2 HIS 12 2HB HIS 12 -5.274 -16.007 -16.784
97 HB3 HIS 12 3HB HIS 12 -5.362 -16.677 -18.411
98 HD1 HIS 12 HD1 HIS 12 -3.478 -18.797 -18.666
99 HD2 HIS 12 HD2 HIS 12 -5.133 -17.968 -14.946
100 HE1 HIS 12 HE1 HIS 12 -3.176 -20.895 -17.313
101 H ASP 13 H ASP 13 -4.585 -13.503 -18.367
102 HA ASP 13 HA ASP 13 -4.790 -13.815 -21.247
103 HB2 ASP 13 2HB ASP 13 -5.999 -12.069 -19.197
104 HB3 ASP 13 3HB ASP 13 -5.709 -11.301 -20.756
105 H CYS 14 H CYS 14 -2.985 -11.936 -18.898
106 HA CYS 14 HA CYS 14 -1.262 -10.457 -19.094
107 HB2 CYS 14 2HB CYS 14 -0.362 -12.650 -20.108
108 HB3 CYS 14 3HB CYS 14 -0.559 -11.855 -21.666
109 H HIS 15 H HIS 15 -3.329 -9.088 -19.756
110 HA HIS 15 HA HIS 15 -2.492 -7.540 -22.094
111 HB2 HIS 15 2HB HIS 15 -4.322 -9.089 -22.800
112 HB3 HIS 15 3HB HIS 15 -5.372 -8.328 -21.609
113 HD1 HIS 15 HD1 HIS 15 -3.078 -6.843 -24.267
114 HD2 HIS 15 HD2 HIS 15 -7.025 -6.697 -22.979
115 HE1 HIS 15 HE1 HIS 15 -4.202 -5.139 -25.736
116 H MET 16 H MET 16 -1.689 -6.346 -20.122
117 HA MET 16 HA MET 16 -3.374 -4.109 -19.650
118 HB2 MET 16 2HB MET 16 -3.495 -6.291 -17.750
119 HB3 MET 16 3HB MET 16 -2.908 -4.820 -16.986
120 HG2 MET 16 2HG MET 16 -5.456 -5.066 -18.568
121 HG3 MET 16 3HG MET 16 -5.336 -5.066 -16.811
122 HE1 MET 16 1HE MET 16 -7.152 -2.099 -17.161
123 HE2 MET 16 2HE MET 16 -6.871 -2.067 -18.902
124 HE3 MET 16 3HE MET 16 -7.223 -3.595 -18.093
125 H ASN 17 H ASN 17 -2.274 -2.970 -17.460
126 HA ASN 17 HA ASN 17 0.594 -2.872 -18.128
127 HB2 ASN 17 2HB ASN 17 -0.399 -0.794 -18.750
128 HB3 ASN 17 3HB ASN 17 -1.295 -0.692 -17.237
129 HD21 ASN 17 1HD2 ASN 17 -0.531 0.959 -16.136
130 HD22 ASN 17 2HD2 ASN 17 1.138 1.314 -15.864
131 H DAL 18 H DAL 18 -1.777 -3.124 -15.602
132 HA DAL 18 HA DAL 18 0.383 -3.246 -13.554
133 HB1 DAL 18 2HB DAL 18 -1.327 -5.005 -12.517
134 HB2 DAL 18 3HB DAL 18 -1.832 -5.182 -14.214
135 H PHE 19 H PHE 19 -3.162 -3.566 -13.528
136 HA PHE 19 HA PHE 19 -3.401 -1.034 -12.107
137 HB2 PHE 19 2HB PHE 19 -5.791 -1.265 -12.442
138 HB3 PHE 19 3HB PHE 19 -4.961 -1.575 -13.963
139 HD1 PHE 19 HD1 PHE 19 -6.752 -3.134 -11.151
140 HD2 PHE 19 HD2 PHE 19 -5.089 -3.692 -15.029
141 HE1 PHE 19 HE1 PHE 19 -7.910 -5.298 -11.333
142 HE2 PHE 19 HE2 PHE 19 -6.245 -5.855 -15.218
143 HZ PHE 19 HZ PHE 19 -7.658 -6.661 -13.369
144 H GLN 20 H GLN 20 -3.676 -4.469 -11.555
145 HA GLN 20 HA GLN 20 -3.384 -4.235 -8.770
146 HB2 GLN 20 2HB GLN 20 -5.885 -3.532 -9.348
147 HB3 GLN 20 3HB GLN 20 -6.115 -5.275 -9.342
148 HG2 GLN 20 2HG GLN 20 -5.666 -5.467 -7.098
149 HG3 GLN 20 3HG GLN 20 -4.719 -3.981 -7.052
150 HE21 GLN 20 1HE2 GLN 20 -5.656 -2.295 -6.159
151 HE22 GLN 20 2HE2 GLN 20 -7.356 -2.057 -5.964
152 H PHE 21 H PHE 21 -3.328 -6.287 -7.695
153 HA PHE 21 HA PHE 21 -3.203 -8.566 -9.560
154 HB2 PHE 21 2HB PHE 21 -1.389 -7.774 -7.300
155 HB3 PHE 21 3HB PHE 21 -1.495 -9.454 -7.815
156 HD1 PHE 21 HD1 PHE 21 0.251 -10.097 -9.140
157 HD2 PHE 21 HD2 PHE 21 -1.287 -6.149 -9.543
158 HE1 PHE 21 HE1 PHE 21 1.878 -9.650 -10.931
159 HE2 PHE 21 HE2 PHE 21 0.337 -5.696 -11.336
160 HZ PHE 21 HZ PHE 21 1.921 -7.448 -12.033
161 H VAL 22 H VAL 22 -5.025 -9.684 -9.199
162 HA VAL 22 HA VAL 22 -6.196 -9.907 -6.578
163 HB VAL 22 HB VAL 22 -6.946 -11.434 -9.073
164 HG11 VAL 22 1HG1 VAL 22 -8.111 -12.496 -7.422
165 HG12 VAL 22 2HG1 VAL 22 -8.156 -11.071 -6.382
166 HG13 VAL 22 3HG1 VAL 22 -9.234 -11.183 -7.774
167 HG21 VAL 22 1HG2 VAL 22 -7.611 -8.662 -8.172
168 HG22 VAL 22 2HG2 VAL 22 -7.189 -9.245 -9.782
169 HG23 VAL 22 3HG2 VAL 22 -8.782 -9.591 -9.108
170 H PHE 23 H PHE 23 -3.875 -11.639 -8.390
171 HA PHE 23 HA PHE 23 -3.297 -13.424 -6.293
172 HB2 PHE 23 2HB PHE 23 -5.452 -14.424 -7.188
173 HB3 PHE 23 3HB PHE 23 -4.567 -14.791 -8.666
174 HD1 PHE 23 HD1 PHE 23 -3.743 -15.092 -5.038
175 HD2 PHE 23 HD2 PHE 23 -4.132 -17.035 -8.805
176 HE1 PHE 23 HE1 PHE 23 -2.946 -17.191 -4.033
177 HE2 PHE 23 HE2 PHE 23 -3.336 -19.138 -7.806
178 HZ PHE 23 HZ PHE 23 -2.743 -19.218 -5.417
179 H DBU 24 H DBU 24 -1.881 -11.650 -7.963
180 HB DBU 24 HB DBU 24 1.674 -12.861 -9.285
181 HG1 DBU 24 1HG DBU 24 2.169 -13.246 -6.953
182 HG2 DBU 24 2HG DBU 24 0.951 -14.501 -7.219
183 HG3 DBU 24 3HG DBU 24 0.482 -12.943 -6.516
184 H CYS 25 H CYS 25 -2.426 -12.318 -10.526
185 HA CYS 25 HA CYS 25 -1.046 -11.993 -13.015
186 HB2 CYS 25 2HB CYS 25 -3.976 -11.486 -12.495
187 HB3 CYS 25 3HB CYS 25 -3.212 -11.913 -14.022
188 H CYS 26 H CYS 26 -1.428 -10.157 -14.478
189 HA CYS 26 HA CYS 26 -1.692 -7.610 -13.020
190 HB2 CYS 26 2HB CYS 26 0.681 -8.278 -13.740
191 HB3 CYS 26 3HB CYS 26 0.133 -7.985 -15.388
192 H SER 27 H SER 27 -3.781 -8.984 -14.374
193 HA SER 27 HA SER 27 -4.591 -6.890 -16.194
194 HB2 SER 27 2HB SER 27 -3.440 -8.326 -17.763
195 HB3 SER 27 3HB SER 27 -4.279 -9.747 -17.143
196 HG SER 27 HG SER 27 -5.570 -9.276 -18.760
Start of MODEL 3
1 H1 LYS 1 H LYS 1 5.240 0.362 -2.129
2 HA LYS 1 HA LYS 1 3.898 1.063 -0.280
3 HB2 LYS 1 2HB LYS 1 5.085 3.617 -1.097
4 HB3 LYS 1 3HB LYS 1 3.395 3.745 -0.626
5 HG2 LYS 1 2HG LYS 1 3.871 2.791 1.530
6 HG3 LYS 1 3HG LYS 1 5.545 2.482 1.062
7 HD2 LYS 1 2HD LYS 1 5.853 4.930 0.761
8 HD3 LYS 1 3HD LYS 1 4.218 5.173 1.382
9 HE2 LYS 1 2HE LYS 1 5.792 5.518 3.167
10 HE3 LYS 1 3HE LYS 1 4.895 4.031 3.475
11 HZ1 LYS 1 1HZ LYS 1 7.240 3.492 1.977
12 HZ2 LYS 1 2HZ LYS 1 6.773 2.881 3.484
13 HZ3 LYS 1 3HZ LYS 1 7.635 4.334 3.390
14 H LYS 2 H LYS 2 3.816 2.117 -3.595
15 HA LYS 2 HA LYS 2 0.903 1.689 -3.608
16 HB2 LYS 2 2HB LYS 2 2.490 3.963 -4.686
17 HB3 LYS 2 3HB LYS 2 1.128 3.403 -5.648
18 HG2 LYS 2 2HG LYS 2 0.570 3.811 -2.790
19 HG3 LYS 2 3HG LYS 2 0.952 5.267 -3.713
20 HD2 LYS 2 2HD LYS 2 -0.762 4.167 -5.420
21 HD3 LYS 2 3HD LYS 2 -1.364 3.419 -3.938
22 HE2 LYS 2 2HE LYS 2 -2.586 5.311 -3.807
23 HE3 LYS 2 3HE LYS 2 -1.106 5.965 -3.106
24 HZ1 LYS 2 1HZ LYS 2 -2.283 6.436 -5.737
25 HZ2 LYS 2 2HZ LYS 2 -0.595 6.406 -5.642
26 HZ3 LYS 2 3HZ LYS 2 -1.475 7.507 -4.706
27 H LYS 3 H LYS 3 0.360 0.044 -4.863
28 HA LYS 3 HA LYS 3 0.402 -1.558 -6.478
29 HB2 LYS 3 2HB LYS 3 0.931 0.929 -7.757
30 HB3 LYS 3 3HB LYS 3 1.943 -0.290 -8.520
31 HG2 LYS 3 2HG LYS 3 0.215 -1.184 -9.589
32 HG3 LYS 3 3HG LYS 3 -0.763 -1.236 -8.121
33 HD2 LYS 3 2HD LYS 3 -0.381 1.454 -9.222
34 HD3 LYS 3 3HD LYS 3 -1.262 0.353 -10.284
35 HE2 LYS 3 2HE LYS 3 -2.819 -0.149 -8.462
36 HE3 LYS 3 3HE LYS 3 -1.937 0.951 -7.404
37 HZ1 LYS 3 1HZ LYS 3 -2.735 2.170 -9.874
38 HZ2 LYS 3 2HZ LYS 3 -2.956 2.707 -8.286
39 HZ3 LYS 3 3HZ LYS 3 -4.052 1.615 -8.969
40 H SER 4 H SER 4 2.046 -2.621 -8.186
41 HA SER 4 HA SER 4 4.699 -2.785 -6.935
42 HB2 SER 4 2HB SER 4 4.420 -5.354 -7.575
43 HB3 SER 4 3HB SER 4 3.875 -4.727 -6.020
44 HG SER 4 HG SER 4 1.897 -5.159 -6.571
45 H GLY 5 H GLY 5 3.057 -4.525 -9.575
46 HA2 GLY 5 2HA GLY 5 3.453 -4.463 -11.859
47 HA3 GLY 5 3HA GLY 5 4.590 -3.150 -11.593
48 H VAL 6 H VAL 6 4.335 -6.605 -10.734
49 HA VAL 6 HA VAL 6 7.169 -6.971 -10.817
50 HB VAL 6 HB VAL 6 5.032 -9.104 -10.853
51 HG11 VAL 6 1HG1 VAL 6 7.586 -9.570 -9.485
52 HG12 VAL 6 2HG1 VAL 6 6.654 -10.629 -10.545
53 HG13 VAL 6 3HG1 VAL 6 7.706 -9.393 -11.236
54 HG21 VAL 6 1HG2 VAL 6 4.767 -7.494 -8.979
55 HG22 VAL 6 2HG2 VAL 6 5.148 -9.132 -8.451
56 HG23 VAL 6 3HG2 VAL 6 6.403 -7.893 -8.455
57 H ILE 7 H ILE 7 4.702 -8.723 -12.695
58 HA ILE 7 HA ILE 7 6.252 -8.265 -15.133
59 HB ILE 7 HB ILE 7 5.442 -11.013 -14.177
60 HG12 ILE 7 2HG1 ILE 7 7.470 -10.105 -13.089
61 HG13 ILE 7 3HG1 ILE 7 7.832 -11.483 -14.123
62 HG21 ILE 7 1HG2 ILE 7 6.654 -10.082 -16.771
63 HG22 ILE 7 2HG2 ILE 7 6.633 -11.765 -16.248
64 HG23 ILE 7 3HG2 ILE 7 5.116 -10.913 -16.535
65 HD11 ILE 7 1HD1 ILE 7 9.004 -8.935 -14.156
66 HD12 ILE 7 2HD1 ILE 7 9.295 -10.281 -15.258
67 HD13 ILE 7 3HD1 ILE 7 8.064 -9.078 -15.641
68 HA PRO 8 HA PRO 8 1.947 -7.593 -16.267
69 HB2 PRO 8 2HB PRO 8 2.527 -6.363 -18.617
70 HB3 PRO 8 3HB PRO 8 2.601 -5.537 -17.056
71 HG2 PRO 8 2HG PRO 8 4.820 -6.720 -18.681
72 HG3 PRO 8 3HG PRO 8 4.772 -5.176 -17.810
73 HD2 PRO 8 2HD PRO 8 6.003 -7.373 -16.814
74 HD3 PRO 8 3HD PRO 8 5.217 -6.166 -15.776
75 H DBB 9 H DBB 9 1.384 -9.758 -16.631
76 HA DBB 9 HA DBB 9 2.071 -10.887 -19.295
77 HB2 DBB 9 3HB DBB 9 -0.682 -11.207 -18.076
78 HG1 DBB 9 1HG DBB 9 -1.370 -9.280 -19.588
79 HG2 DBB 9 2HG DBB 9 -0.413 -8.804 -18.165
80 HG3 DBB 9 3HG DBB 9 0.359 -8.895 -19.766
81 H VAL 10 H VAL 10 0.724 -11.457 -16.058
82 HA VAL 10 HA VAL 10 1.857 -14.177 -16.169
83 HB VAL 10 HB VAL 10 1.597 -12.338 -13.787
84 HG11 VAL 10 1HG1 VAL 10 1.120 -14.584 -13.076
85 HG12 VAL 10 2HG1 VAL 10 2.524 -15.203 -13.949
86 HG13 VAL 10 3HG1 VAL 10 2.747 -14.156 -12.547
87 HG21 VAL 10 1HG2 VAL 10 3.982 -12.294 -13.754
88 HG22 VAL 10 2HG2 VAL 10 4.081 -13.517 -15.021
89 HG23 VAL 10 3HG2 VAL 10 3.470 -11.906 -15.397
90 H DAL 11 H DAL 11 -0.928 -12.254 -15.612
91 HA DAL 11 HA DAL 11 -3.131 -12.758 -15.094
92 HB1 DAL 11 2HB DAL 11 -3.215 -14.925 -13.469
93 HB2 DAL 11 3HB DAL 11 -1.504 -14.482 -13.266
94 H HIS 12 H HIS 12 -4.797 -14.378 -15.496
95 HA HIS 12 HA HIS 12 -3.931 -16.678 -17.086
96 HB2 HIS 12 2HB HIS 12 -6.734 -16.015 -16.175
97 HB3 HIS 12 3HB HIS 12 -6.144 -17.558 -16.786
98 HD1 HIS 12 HD1 HIS 12 -6.294 -15.465 -13.716
99 HD2 HIS 12 HD2 HIS 12 -4.654 -19.083 -14.934
100 HE1 HIS 12 HE1 HIS 12 -5.596 -16.632 -11.601
101 H ASP 13 H ASP 13 -5.797 -13.710 -17.305
102 HA ASP 13 HA ASP 13 -6.611 -14.232 -20.031
103 HB2 ASP 13 2HB ASP 13 -7.605 -12.645 -17.993
104 HB3 ASP 13 3HB ASP 13 -6.893 -11.477 -19.103
105 H CYS 14 H CYS 14 -4.328 -12.116 -18.347
106 HA CYS 14 HA CYS 14 -2.614 -10.810 -19.091
107 HB2 CYS 14 2HB CYS 14 -2.002 -13.260 -19.775
108 HB3 CYS 14 3HB CYS 14 -2.282 -12.678 -21.412
109 H HIS 15 H HIS 15 -3.827 -8.994 -19.685
110 HA HIS 15 HA HIS 15 -4.115 -8.643 -22.593
111 HB2 HIS 15 2HB HIS 15 -6.123 -8.303 -20.471
112 HB3 HIS 15 3HB HIS 15 -6.004 -6.941 -21.582
113 HD1 HIS 15 HD1 HIS 15 -8.066 -7.269 -22.960
114 HD2 HIS 15 HD2 HIS 15 -5.797 -10.735 -22.650
115 HE1 HIS 15 HE1 HIS 15 -9.130 -8.912 -24.539
116 H MET 16 H MET 16 -4.674 -6.439 -19.871
117 HA MET 16 HA MET 16 -2.258 -5.079 -19.894
118 HB2 MET 16 2HB MET 16 -3.762 -4.554 -22.238
119 HB3 MET 16 3HB MET 16 -3.842 -3.107 -21.242
120 HG2 MET 16 2HG MET 16 -1.195 -3.761 -21.092
121 HG3 MET 16 3HG MET 16 -1.610 -4.240 -22.737
122 HE1 MET 16 1HE MET 16 0.249 -1.872 -21.215
123 HE2 MET 16 2HE MET 16 0.514 -2.100 -22.943
124 HE3 MET 16 3HE MET 16 0.130 -0.497 -22.314
125 H ASN 17 H ASN 17 -2.232 -3.920 -18.081
126 HA ASN 17 HA ASN 17 -4.187 -2.106 -17.252
127 HB2 ASN 17 2HB ASN 17 -4.699 -4.891 -16.510
128 HB3 ASN 17 3HB ASN 17 -4.656 -3.804 -15.125
129 HD21 ASN 17 1HD2 ASN 17 -6.838 -5.284 -16.590
130 HD22 ASN 17 2HD2 ASN 17 -8.038 -4.077 -16.891
131 H DAL 18 H DAL 18 -2.650 -4.514 -15.160
132 HA DAL 18 HA DAL 18 -0.345 -2.869 -14.554
133 HB1 DAL 18 2HB DAL 18 -0.057 -4.625 -12.699
134 HB2 DAL 18 3HB DAL 18 -1.511 -5.412 -13.356
135 H PHE 19 H PHE 19 -2.862 -4.172 -12.388
136 HA PHE 19 HA PHE 19 -2.599 -1.753 -10.753
137 HB2 PHE 19 2HB PHE 19 -5.189 -2.897 -11.806
138 HB3 PHE 19 3HB PHE 19 -5.107 -1.738 -10.482
139 HD1 PHE 19 HD1 PHE 19 -5.051 0.542 -10.916
140 HD2 PHE 19 HD2 PHE 19 -4.169 -2.207 -14.044
141 HE1 PHE 19 HE1 PHE 19 -5.041 2.394 -12.537
142 HE2 PHE 19 HE2 PHE 19 -4.157 -0.360 -15.669
143 HZ PHE 19 HZ PHE 19 -4.592 1.944 -14.916
144 H GLN 20 H GLN 20 -4.412 -4.824 -10.896
145 HA GLN 20 HA GLN 20 -3.708 -5.254 -8.068
146 HB2 GLN 20 2HB GLN 20 -6.221 -5.302 -9.361
147 HB3 GLN 20 3HB GLN 20 -5.838 -6.968 -8.946
148 HG2 GLN 20 2HG GLN 20 -5.596 -6.410 -6.638
149 HG3 GLN 20 3HG GLN 20 -5.730 -4.688 -6.989
150 HE21 GLN 20 1HE2 GLN 20 -7.553 -7.665 -7.648
151 HE22 GLN 20 2HE2 GLN 20 -9.100 -7.008 -7.245
152 H PHE 21 H PHE 21 -2.315 -6.831 -7.676
153 HA PHE 21 HA PHE 21 -1.819 -8.833 -9.757
154 HB2 PHE 21 2HB PHE 21 -0.173 -7.484 -7.751
155 HB3 PHE 21 3HB PHE 21 0.093 -9.224 -7.802
156 HD1 PHE 21 HD1 PHE 21 1.731 -9.986 -9.206
157 HD2 PHE 21 HD2 PHE 21 -0.300 -6.375 -10.182
158 HE1 PHE 21 HE1 PHE 21 3.180 -9.707 -11.176
159 HE2 PHE 21 HE2 PHE 21 1.145 -6.091 -12.153
160 HZ PHE 21 HZ PHE 21 2.887 -7.758 -12.653
161 H VAL 22 H VAL 22 -3.713 -10.072 -9.268
162 HA VAL 22 HA VAL 22 -4.027 -11.259 -6.666
163 HB VAL 22 HB VAL 22 -5.782 -12.657 -7.844
164 HG11 VAL 22 1HG1 VAL 22 -5.782 -9.715 -7.518
165 HG12 VAL 22 2HG1 VAL 22 -7.137 -10.425 -8.398
166 HG13 VAL 22 3HG1 VAL 22 -6.787 -10.943 -6.748
167 HG21 VAL 22 1HG2 VAL 22 -4.466 -11.682 -10.125
168 HG22 VAL 22 2HG2 VAL 22 -5.924 -12.673 -10.063
169 HG23 VAL 22 3HG2 VAL 22 -6.054 -10.914 -10.106
170 H PHE 23 H PHE 23 -2.189 -12.450 -6.225
171 HA PHE 23 HA PHE 23 -1.077 -14.449 -6.071
172 HB2 PHE 23 2HB PHE 23 -3.323 -15.345 -7.098
173 HB3 PHE 23 3HB PHE 23 -2.360 -15.500 -8.563
174 HD1 PHE 23 HD1 PHE 23 -1.828 -16.215 -4.936
175 HD2 PHE 23 HD2 PHE 23 -1.633 -17.632 -8.944
176 HE1 PHE 23 HE1 PHE 23 -0.955 -18.369 -4.128
177 HE2 PHE 23 HE2 PHE 23 -0.760 -19.788 -8.143
178 HZ PHE 23 HZ PHE 23 -0.421 -20.159 -5.732
179 H DBU 24 H DBU 24 -0.871 -12.176 -8.357
180 HB DBU 24 HB DBU 24 2.803 -12.424 -10.059
181 HG1 DBU 24 1HG DBU 24 2.216 -12.920 -7.109
182 HG2 DBU 24 2HG DBU 24 3.767 -12.746 -7.942
183 HG3 DBU 24 3HG DBU 24 2.863 -14.267 -8.054
184 H CYS 25 H CYS 25 -1.555 -12.374 -10.388
185 HA CYS 25 HA CYS 25 -0.968 -12.129 -13.135
186 HB2 CYS 25 2HB CYS 25 -3.473 -11.146 -11.763
187 HB3 CYS 25 3HB CYS 25 -3.300 -11.661 -13.437
188 H CYS 26 H CYS 26 -2.431 -10.015 -14.086
189 HA CYS 26 HA CYS 26 -1.610 -7.545 -12.876
190 HB2 CYS 26 2HB CYS 26 0.489 -8.322 -13.986
191 HB3 CYS 26 3HB CYS 26 -0.362 -8.293 -15.527
192 H SER 27 H SER 27 -4.073 -7.890 -13.171
193 HA SER 27 HA SER 27 -4.865 -6.740 -15.767
194 HB2 SER 27 2HB SER 27 -5.689 -9.125 -15.035
195 HB3 SER 27 3HB SER 27 -6.814 -8.212 -14.030
196 HG SER 27 HG SER 27 -6.518 -7.601 -16.762
Start of MODEL 4
1 H1 LYS 1 H LYS 1 4.753 2.047 0.056
2 HA LYS 1 HA LYS 1 4.175 -0.121 -1.855
3 HB2 LYS 1 2HB LYS 1 3.388 -0.020 0.748
4 HB3 LYS 1 3HB LYS 1 2.016 0.747 -0.041
5 HG2 LYS 1 2HG LYS 1 1.839 -1.224 -1.536
6 HG3 LYS 1 3HG LYS 1 3.122 -1.996 -0.600
7 HD2 LYS 1 2HD LYS 1 1.786 -2.119 1.330
8 HD3 LYS 1 3HD LYS 1 0.617 -0.959 0.696
9 HE2 LYS 1 2HE LYS 1 0.322 -2.773 -1.180
10 HE3 LYS 1 3HE LYS 1 0.974 -3.849 0.054
11 HZ1 LYS 1 1HZ LYS 1 -1.180 -3.996 0.633
12 HZ2 LYS 1 2HZ LYS 1 -1.602 -2.517 -0.070
13 HZ3 LYS 1 3HZ LYS 1 -0.873 -2.550 1.457
14 H LYS 2 H LYS 2 4.713 2.639 -2.540
15 HA LYS 2 HA LYS 2 2.441 4.185 -2.971
16 HB2 LYS 2 2HB LYS 2 5.166 4.257 -3.729
17 HB3 LYS 2 3HB LYS 2 4.227 4.443 -5.204
18 HG2 LYS 2 2HG LYS 2 3.046 6.099 -3.243
19 HG3 LYS 2 3HG LYS 2 4.790 6.366 -3.188
20 HD2 LYS 2 2HD LYS 2 4.145 7.877 -4.805
21 HD3 LYS 2 3HD LYS 2 4.567 6.473 -5.788
22 HE2 LYS 2 2HE LYS 2 2.338 5.935 -6.191
23 HE3 LYS 2 3HE LYS 2 1.762 6.878 -4.818
24 HZ1 LYS 2 1HZ LYS 2 2.130 8.879 -5.970
25 HZ2 LYS 2 2HZ LYS 2 1.364 7.861 -7.082
26 HZ3 LYS 2 3HZ LYS 2 3.032 8.124 -7.186
27 H LYS 3 H LYS 3 3.741 1.493 -4.818
28 HA LYS 3 HA LYS 3 1.281 0.816 -5.970
29 HB2 LYS 3 2HB LYS 3 2.799 2.849 -7.401
30 HB3 LYS 3 3HB LYS 3 2.496 1.428 -8.392
31 HG2 LYS 3 2HG LYS 3 0.155 2.353 -6.909
32 HG3 LYS 3 3HG LYS 3 0.785 3.525 -8.069
33 HD2 LYS 3 2HD LYS 3 0.110 2.310 -9.829
34 HD3 LYS 3 3HD LYS 3 0.657 0.795 -9.108
35 HE2 LYS 3 2HE LYS 3 -1.772 2.131 -8.010
36 HE3 LYS 3 3HE LYS 3 -1.896 1.249 -9.532
37 HZ1 LYS 3 1HZ LYS 3 -0.938 -0.694 -8.374
38 HZ2 LYS 3 2HZ LYS 3 -2.433 -0.216 -7.742
39 HZ3 LYS 3 3HZ LYS 3 -1.005 0.163 -6.917
40 H SER 4 H SER 4 1.555 -0.840 -7.755
41 HA SER 4 HA SER 4 4.097 -2.290 -7.401
42 HB2 SER 4 2HB SER 4 2.780 -4.395 -7.619
43 HB3 SER 4 3HB SER 4 2.346 -3.457 -6.190
44 HG SER 4 HG SER 4 0.403 -3.259 -6.952
45 H GLY 5 H GLY 5 4.314 -4.045 -9.184
46 HA2 GLY 5 2HA GLY 5 3.121 -3.900 -11.663
47 HA3 GLY 5 3HA GLY 5 4.373 -2.667 -11.685
48 H VAL 6 H VAL 6 4.192 -5.979 -10.375
49 HA VAL 6 HA VAL 6 6.823 -6.683 -10.753
50 HB VAL 6 HB VAL 6 4.479 -8.556 -11.102
51 HG11 VAL 6 1HG1 VAL 6 5.948 -10.228 -11.156
52 HG12 VAL 6 2HG1 VAL 6 7.208 -9.012 -11.374
53 HG13 VAL 6 3HG1 VAL 6 6.816 -9.597 -9.757
54 HG21 VAL 6 1HG2 VAL 6 4.781 -8.979 -8.659
55 HG22 VAL 6 2HG2 VAL 6 5.862 -7.587 -8.605
56 HG23 VAL 6 3HG2 VAL 6 4.169 -7.371 -9.046
57 H ILE 7 H ILE 7 4.432 -8.253 -12.822
58 HA ILE 7 HA ILE 7 5.837 -7.377 -15.222
59 HB ILE 7 HB ILE 7 5.513 -10.044 -15.787
60 HG12 ILE 7 2HG1 ILE 7 6.853 -9.969 -13.093
61 HG13 ILE 7 3HG1 ILE 7 5.128 -10.282 -13.245
62 HG21 ILE 7 1HG2 ILE 7 7.845 -10.097 -15.999
63 HG22 ILE 7 2HG2 ILE 7 7.419 -8.402 -16.229
64 HG23 ILE 7 3HG2 ILE 7 8.078 -8.943 -14.686
65 HD11 ILE 7 1HD1 ILE 7 7.306 -12.082 -13.533
66 HD12 ILE 7 2HD1 ILE 7 5.575 -12.413 -13.597
67 HD13 ILE 7 3HD1 ILE 7 6.445 -11.980 -15.068
68 HA PRO 8 HA PRO 8 1.470 -7.282 -16.255
69 HB2 PRO 8 2HB PRO 8 1.808 -5.892 -18.562
70 HB3 PRO 8 3HB PRO 8 1.822 -5.127 -16.969
71 HG2 PRO 8 2HG PRO 8 4.124 -5.937 -18.701
72 HG3 PRO 8 3HG PRO 8 3.900 -4.450 -17.762
73 HD2 PRO 8 2HD PRO 8 5.442 -6.501 -16.897
74 HD3 PRO 8 3HD PRO 8 4.537 -5.452 -15.786
75 H DBB 9 H DBB 9 0.374 -8.842 -17.260
76 HA DBB 9 HA DBB 9 1.287 -9.902 -19.850
77 HB2 DBB 9 3HB DBB 9 -1.126 -9.259 -19.414
78 HG1 DBB 9 1HG DBB 9 -0.193 -11.120 -21.046
79 HG2 DBB 9 2HG DBB 9 -0.994 -12.234 -19.913
80 HG3 DBB 9 3HG DBB 9 -1.945 -10.992 -20.759
81 H VAL 10 H VAL 10 0.506 -11.005 -16.564
82 HA VAL 10 HA VAL 10 1.982 -13.491 -17.145
83 HB VAL 10 HB VAL 10 2.666 -13.501 -14.749
84 HG11 VAL 10 1HG1 VAL 10 4.121 -11.251 -15.146
85 HG12 VAL 10 2HG1 VAL 10 4.481 -12.811 -15.888
86 HG13 VAL 10 3HG1 VAL 10 3.579 -11.591 -16.789
87 HG21 VAL 10 1HG2 VAL 10 1.032 -12.117 -13.730
88 HG22 VAL 10 2HG2 VAL 10 2.570 -11.268 -13.578
89 HG23 VAL 10 3HG2 VAL 10 1.405 -10.768 -14.803
90 H DAL 11 H DAL 11 -0.937 -12.125 -16.190
91 HA DAL 11 HA DAL 11 -2.942 -12.999 -15.426
92 HB1 DAL 11 2HB DAL 11 -2.532 -14.935 -13.640
93 HB2 DAL 11 3HB DAL 11 -0.857 -14.342 -13.715
94 H HIS 12 H HIS 12 -4.218 -15.065 -15.360
95 HA HIS 12 HA HIS 12 -3.097 -17.154 -17.085
96 HB2 HIS 12 2HB HIS 12 -5.348 -17.072 -15.110
97 HB3 HIS 12 3HB HIS 12 -5.351 -18.293 -16.379
98 HD1 HIS 12 HD1 HIS 12 -3.222 -19.930 -16.388
99 HD2 HIS 12 HD2 HIS 12 -3.764 -17.646 -12.960
100 HE1 HIS 12 HE1 HIS 12 -1.807 -21.024 -14.620
101 H ASP 13 H ASP 13 -4.791 -14.377 -17.425
102 HA ASP 13 HA ASP 13 -5.531 -14.850 -20.083
103 HB2 ASP 13 2HB ASP 13 -8.045 -14.684 -19.768
104 HB3 ASP 13 3HB ASP 13 -7.316 -16.229 -19.339
105 H CYS 14 H CYS 14 -4.157 -12.857 -18.760
106 HA CYS 14 HA CYS 14 -5.973 -10.561 -18.665
107 HB2 CYS 14 2HB CYS 14 -4.215 -9.368 -17.560
108 HB3 CYS 14 3HB CYS 14 -4.322 -10.957 -16.809
109 H HIS 15 H HIS 15 -4.638 -8.465 -19.450
110 HA HIS 15 HA HIS 15 -3.565 -9.061 -22.124
111 HB2 HIS 15 2HB HIS 15 -6.022 -7.784 -21.549
112 HB3 HIS 15 3HB HIS 15 -4.925 -6.529 -22.117
113 HD1 HIS 15 HD1 HIS 15 -3.565 -7.415 -24.441
114 HD2 HIS 15 HD2 HIS 15 -7.339 -8.933 -23.597
115 HE1 HIS 15 HE1 HIS 15 -4.436 -8.305 -26.626
116 H MET 16 H MET 16 -4.117 -6.162 -20.119
117 HA MET 16 HA MET 16 -1.442 -5.708 -19.453
118 HB2 MET 16 2HB MET 16 -2.113 -4.986 -22.159
119 HB3 MET 16 3HB MET 16 -1.692 -3.546 -21.242
120 HG2 MET 16 2HG MET 16 0.277 -5.279 -20.501
121 HG3 MET 16 3HG MET 16 -0.012 -5.742 -22.177
122 HE1 MET 16 1HE MET 16 1.683 -4.890 -23.780
123 HE2 MET 16 2HE MET 16 0.181 -4.080 -24.224
124 HE3 MET 16 3HE MET 16 1.698 -3.179 -24.207
125 H ASN 17 H ASN 17 -1.732 -4.627 -17.626
126 HA ASN 17 HA ASN 17 -3.198 -2.136 -17.616
127 HB2 ASN 17 2HB ASN 17 -4.106 -4.511 -15.983
128 HB3 ASN 17 3HB ASN 17 -4.577 -2.853 -15.619
129 HD21 ASN 17 1HD2 ASN 17 -5.485 -1.653 -17.564
130 HD22 ASN 17 2HD2 ASN 17 -6.620 -2.526 -18.532
131 H DAL 18 H DAL 18 -2.334 -4.398 -15.013
132 HA DAL 18 HA DAL 18 0.067 -2.961 -14.270
133 HB1 DAL 18 2HB DAL 18 0.028 -4.504 -12.296
134 HB2 DAL 18 3HB DAL 18 -1.564 -5.097 -12.825
135 H PHE 19 H PHE 19 -2.964 -3.608 -12.493
136 HA PHE 19 HA PHE 19 -2.703 -0.931 -11.291
137 HB2 PHE 19 2HB PHE 19 -5.050 -0.703 -11.264
138 HB3 PHE 19 3HB PHE 19 -4.687 -1.383 -12.847
139 HD1 PHE 19 HD1 PHE 19 -6.335 -1.897 -9.668
140 HD2 PHE 19 HD2 PHE 19 -5.140 -3.767 -13.301
141 HE1 PHE 19 HE1 PHE 19 -7.891 -3.750 -9.222
142 HE2 PHE 19 HE2 PHE 19 -6.695 -5.622 -12.861
143 HZ PHE 19 HZ PHE 19 -8.074 -5.615 -10.820
144 H GLN 20 H GLN 20 -3.053 -4.314 -10.738
145 HA GLN 20 HA GLN 20 -2.303 -4.175 -8.048
146 HB2 GLN 20 2HB GLN 20 -4.871 -3.361 -8.229
147 HB3 GLN 20 3HB GLN 20 -5.116 -5.094 -8.059
148 HG2 GLN 20 2HG GLN 20 -3.184 -4.210 -6.146
149 HG3 GLN 20 3HG GLN 20 -4.630 -3.207 -6.041
150 HE21 GLN 20 1HE2 GLN 20 -3.559 -6.572 -6.155
151 HE22 GLN 20 2HE2 GLN 20 -4.820 -7.194 -5.152
152 H PHE 21 H PHE 21 -1.561 -6.119 -7.434
153 HA PHE 21 HA PHE 21 -2.144 -8.394 -9.186
154 HB2 PHE 21 2HB PHE 21 0.089 -7.927 -7.201
155 HB3 PHE 21 3HB PHE 21 -0.118 -9.408 -8.130
156 HD1 PHE 21 HD1 PHE 21 0.174 -5.726 -8.632
157 HD2 PHE 21 HD2 PHE 21 1.004 -9.625 -10.124
158 HE1 PHE 21 HE1 PHE 21 1.464 -4.740 -10.480
159 HE2 PHE 21 HE2 PHE 21 2.297 -8.645 -11.974
160 HZ PHE 21 HZ PHE 21 2.529 -6.200 -12.154
161 H VAL 22 H VAL 22 -4.017 -9.263 -8.410
162 HA VAL 22 HA VAL 22 -4.455 -9.674 -5.596
163 HB VAL 22 HB VAL 22 -6.513 -10.831 -6.287
164 HG11 VAL 22 1HG1 VAL 22 -7.395 -8.796 -6.317
165 HG12 VAL 22 2HG1 VAL 22 -5.832 -8.112 -6.769
166 HG13 VAL 22 3HG1 VAL 22 -6.962 -8.635 -8.019
167 HG21 VAL 22 1HG2 VAL 22 -6.890 -11.616 -8.349
168 HG22 VAL 22 2HG2 VAL 22 -6.278 -10.152 -9.119
169 HG23 VAL 22 3HG2 VAL 22 -5.156 -11.408 -8.597
170 H PHE 23 H PHE 23 -2.754 -11.321 -7.986
171 HA PHE 23 HA PHE 23 -2.046 -13.449 -6.272
172 HB2 PHE 23 2HB PHE 23 -4.390 -14.129 -6.996
173 HB3 PHE 23 3HB PHE 23 -3.730 -14.331 -8.615
174 HD1 PHE 23 HD1 PHE 23 -3.416 -16.529 -9.161
175 HD2 PHE 23 HD2 PHE 23 -2.613 -15.267 -5.176
176 HE1 PHE 23 HE1 PHE 23 -2.705 -18.812 -8.585
177 HE2 PHE 23 HE2 PHE 23 -1.900 -17.548 -4.594
178 HZ PHE 23 HZ PHE 23 -1.944 -19.324 -6.299
179 H DBU 24 H DBU 24 -0.884 -11.449 -8.051
180 HB DBU 24 HB DBU 24 2.441 -12.515 -9.935
181 HG1 DBU 24 1HG DBU 24 1.693 -13.920 -7.430
182 HG2 DBU 24 2HG DBU 24 2.208 -12.260 -7.104
183 HG3 DBU 24 3HG DBU 24 3.285 -13.372 -7.969
184 H CYS 25 H CYS 25 -1.828 -12.103 -10.517
185 HA CYS 25 HA CYS 25 -0.867 -11.790 -13.201
186 HB2 CYS 25 2HB CYS 25 -3.696 -11.307 -12.281
187 HB3 CYS 25 3HB CYS 25 -3.140 -11.842 -13.864
188 H CYS 26 H CYS 26 -2.061 -9.974 -14.537
189 HA CYS 26 HA CYS 26 -1.892 -7.422 -13.094
190 HB2 CYS 26 2HB CYS 26 0.119 -8.292 -14.753
191 HB3 CYS 26 3HB CYS 26 -0.864 -7.316 -15.840
192 H SER 27 H SER 27 -4.137 -9.050 -14.056
193 HA SER 27 HA SER 27 -5.238 -8.064 -16.431
194 HB2 SER 27 2HB SER 27 -6.749 -8.973 -13.970
195 HB3 SER 27 3HB SER 27 -7.364 -8.922 -15.622
196 HG SER 27 HG SER 27 -6.032 -10.882 -14.419
Start of MODEL 5
1 H1 LYS 1 H LYS 1 0.288 2.622 -4.692
2 HA LYS 1 HA LYS 1 0.015 4.739 -5.612
3 HB2 LYS 1 2HB LYS 1 1.420 6.640 -4.775
4 HB3 LYS 1 3HB LYS 1 0.380 5.912 -3.558
5 HG2 LYS 1 2HG LYS 1 2.369 4.567 -2.815
6 HG3 LYS 1 3HG LYS 1 3.349 5.572 -3.886
7 HD2 LYS 1 2HD LYS 1 1.615 7.159 -2.185
8 HD3 LYS 1 3HD LYS 1 2.689 6.118 -1.247
9 HE2 LYS 1 2HE LYS 1 4.620 7.028 -2.340
10 HE3 LYS 1 3HE LYS 1 3.613 7.932 -3.471
11 HZ1 LYS 1 1HZ LYS 1 4.201 9.513 -1.918
12 HZ2 LYS 1 2HZ LYS 1 4.099 8.445 -0.611
13 HZ3 LYS 1 3HZ LYS 1 2.688 9.019 -1.346
14 H LYS 2 H LYS 2 3.188 3.374 -4.984
15 HA LYS 2 HA LYS 2 3.921 3.971 -7.769
16 HB2 LYS 2 2HB LYS 2 6.309 4.200 -6.923
17 HB3 LYS 2 3HB LYS 2 5.217 5.527 -6.550
18 HG2 LYS 2 2HG LYS 2 5.263 5.125 -4.325
19 HG3 LYS 2 3HG LYS 2 5.432 3.380 -4.531
20 HD2 LYS 2 2HD LYS 2 7.743 3.541 -4.916
21 HD3 LYS 2 3HD LYS 2 7.658 5.278 -5.219
22 HE2 LYS 2 2HE LYS 2 7.239 5.732 -2.915
23 HE3 LYS 2 3HE LYS 2 7.021 4.020 -2.557
24 HZ1 LYS 2 1HZ LYS 2 9.163 3.984 -2.042
25 HZ2 LYS 2 2HZ LYS 2 9.418 5.545 -2.639
26 HZ3 LYS 2 3HZ LYS 2 9.521 4.215 -3.679
27 H LYS 3 H LYS 3 2.850 1.666 -7.555
28 HA LYS 3 HA LYS 3 4.820 -0.214 -8.181
29 HB2 LYS 3 2HB LYS 3 4.214 0.010 -5.345
30 HB3 LYS 3 3HB LYS 3 3.889 -1.606 -5.957
31 HG2 LYS 3 2HG LYS 3 6.435 -0.534 -6.874
32 HG3 LYS 3 3HG LYS 3 6.321 -0.659 -5.117
33 HD2 LYS 3 2HD LYS 3 6.113 -2.947 -5.159
34 HD3 LYS 3 3HD LYS 3 5.417 -2.961 -6.782
35 HE2 LYS 3 2HE LYS 3 8.232 -2.048 -6.426
36 HE3 LYS 3 3HE LYS 3 7.883 -3.774 -6.347
37 HZ1 LYS 3 1HZ LYS 3 8.387 -2.476 -8.611
38 HZ2 LYS 3 2HZ LYS 3 6.701 -2.349 -8.582
39 HZ3 LYS 3 3HZ LYS 3 7.435 -3.873 -8.534
40 H SER 4 H SER 4 3.736 -1.260 -9.706
41 HA SER 4 HA SER 4 0.946 -1.429 -9.887
42 HB2 SER 4 2HB SER 4 3.060 -3.155 -11.199
43 HB3 SER 4 3HB SER 4 1.362 -3.103 -11.673
44 HG SER 4 HG SER 4 1.655 -0.874 -12.139
45 H GLY 5 H GLY 5 3.339 -3.754 -8.693
46 HA2 GLY 5 2HA GLY 5 1.964 -4.893 -6.677
47 HA3 GLY 5 3HA GLY 5 1.298 -5.716 -8.080
48 H VAL 6 H VAL 6 2.881 -6.790 -9.529
49 HA VAL 6 HA VAL 6 5.365 -7.580 -8.195
50 HB VAL 6 HB VAL 6 3.440 -9.613 -9.326
51 HG11 VAL 6 1HG1 VAL 6 6.123 -9.825 -9.095
52 HG12 VAL 6 2HG1 VAL 6 5.614 -10.410 -7.510
53 HG13 VAL 6 3HG1 VAL 6 5.011 -11.188 -8.974
54 HG21 VAL 6 1HG2 VAL 6 2.595 -8.566 -7.247
55 HG22 VAL 6 2HG2 VAL 6 2.965 -10.280 -7.057
56 HG23 VAL 6 3HG2 VAL 6 4.077 -9.063 -6.430
57 H ILE 7 H ILE 7 3.562 -8.780 -11.020
58 HA ILE 7 HA ILE 7 5.617 -7.682 -12.787
59 HB ILE 7 HB ILE 7 4.825 -10.597 -12.767
60 HG12 ILE 7 2HG1 ILE 7 7.550 -9.346 -12.385
61 HG13 ILE 7 3HG1 ILE 7 6.508 -9.838 -11.054
62 HG21 ILE 7 1HG2 ILE 7 5.030 -10.028 -15.031
63 HG22 ILE 7 2HG2 ILE 7 6.397 -8.958 -14.728
64 HG23 ILE 7 3HG2 ILE 7 6.600 -10.705 -14.598
65 HD11 ILE 7 1HD1 ILE 7 7.249 -11.912 -11.199
66 HD12 ILE 7 2HD1 ILE 7 6.786 -12.001 -12.899
67 HD13 ILE 7 3HD1 ILE 7 8.377 -11.388 -12.449
68 HA PRO 8 HA PRO 8 1.677 -6.789 -14.772
69 HB2 PRO 8 2HB PRO 8 2.711 -4.979 -16.511
70 HB3 PRO 8 3HB PRO 8 2.340 -4.590 -14.827
71 HG2 PRO 8 2HG PRO 8 4.972 -5.279 -16.078
72 HG3 PRO 8 3HG PRO 8 4.593 -4.018 -14.889
73 HD2 PRO 8 2HD PRO 8 5.715 -6.384 -14.197
74 HD3 PRO 8 3HD PRO 8 4.609 -5.501 -13.125
75 H DBB 9 H DBB 9 1.226 -8.650 -15.897
76 HA DBB 9 HA DBB 9 2.514 -8.929 -18.566
77 HB2 DBB 9 3HB DBB 9 0.049 -8.377 -18.517
78 HG1 DBB 9 1HG DBB 9 1.347 -9.918 -20.242
79 HG2 DBB 9 2HG DBB 9 0.344 -11.205 -19.529
80 HG3 DBB 9 3HG DBB 9 -0.429 -9.803 -20.307
81 H VAL 10 H VAL 10 1.825 -10.405 -15.527
82 HA VAL 10 HA VAL 10 3.344 -12.760 -16.335
83 HB VAL 10 HB VAL 10 3.968 -11.582 -14.255
84 HG11 VAL 10 1HG1 VAL 10 2.580 -11.510 -12.350
85 HG12 VAL 10 2HG1 VAL 10 1.564 -10.986 -13.696
86 HG13 VAL 10 3HG1 VAL 10 1.414 -12.626 -13.061
87 HG21 VAL 10 1HG2 VAL 10 4.413 -14.000 -14.580
88 HG22 VAL 10 2HG2 VAL 10 4.235 -13.546 -12.885
89 HG23 VAL 10 3HG2 VAL 10 2.913 -14.357 -13.725
90 H DAL 11 H DAL 11 0.116 -11.821 -15.871
91 HA DAL 11 HA DAL 11 -1.900 -12.966 -15.894
92 HB1 DAL 11 2HB DAL 11 -1.764 -15.285 -14.664
93 HB2 DAL 11 3HB DAL 11 -0.119 -14.764 -14.231
94 H HIS 12 H HIS 12 -2.966 -14.811 -16.891
95 HA HIS 12 HA HIS 12 -1.269 -16.409 -18.666
96 HB2 HIS 12 2HB HIS 12 -3.863 -16.808 -17.360
97 HB3 HIS 12 3HB HIS 12 -3.843 -17.304 -19.050
98 HD1 HIS 12 HD1 HIS 12 -1.136 -17.704 -16.408
99 HD2 HIS 12 HD2 HIS 12 -3.530 -19.991 -18.917
100 HE1 HIS 12 HE1 HIS 12 -0.359 -20.075 -16.100
101 H ASP 13 H ASP 13 -3.159 -13.631 -18.698
102 HA ASP 13 HA ASP 13 -2.751 -13.091 -21.407
103 HB2 ASP 13 2HB ASP 13 -4.786 -14.935 -21.125
104 HB3 ASP 13 3HB ASP 13 -5.655 -13.407 -21.234
105 H CYS 14 H CYS 14 -2.643 -11.823 -18.827
106 HA CYS 14 HA CYS 14 -4.767 -9.977 -18.499
107 HB2 CYS 14 2HB CYS 14 -3.100 -8.734 -17.071
108 HB3 CYS 14 3HB CYS 14 -3.357 -10.417 -16.621
109 H HIS 15 H HIS 15 -5.277 -8.790 -20.269
110 HA HIS 15 HA HIS 15 -3.140 -7.113 -21.414
111 HB2 HIS 15 2HB HIS 15 -4.251 -8.862 -22.924
112 HB3 HIS 15 3HB HIS 15 -5.687 -7.845 -22.850
113 HD1 HIS 15 HD1 HIS 15 -1.998 -7.160 -23.547
114 HD2 HIS 15 HD2 HIS 15 -5.775 -6.282 -25.039
115 HE1 HIS 15 HE1 HIS 15 -1.605 -5.690 -25.549
116 H MET 16 H MET 16 -3.908 -5.893 -19.351
117 HA MET 16 HA MET 16 -5.741 -3.819 -20.274
118 HB2 MET 16 2HB MET 16 -7.155 -5.337 -18.980
119 HB3 MET 16 3HB MET 16 -6.044 -5.237 -17.620
120 HG2 MET 16 2HG MET 16 -7.728 -3.787 -17.012
121 HG3 MET 16 3HG MET 16 -6.520 -2.708 -17.705
122 HE1 MET 16 1HE MET 16 -10.757 -2.989 -18.518
123 HE2 MET 16 2HE MET 16 -10.153 -4.538 -19.106
124 HE3 MET 16 3HE MET 16 -9.773 -4.008 -17.467
125 H ASN 17 H ASN 17 -4.379 -4.512 -17.070
126 HA ASN 17 HA ASN 17 -2.123 -2.898 -17.201
127 HB2 ASN 17 2HB ASN 17 -4.430 -1.327 -17.289
128 HB3 ASN 17 3HB ASN 17 -3.886 -1.219 -15.617
129 HD21 ASN 17 1HD2 ASN 17 -3.679 0.220 -18.518
130 HD22 ASN 17 2HD2 ASN 17 -2.141 0.993 -18.369
131 H DAL 18 H DAL 18 -1.498 -2.081 -14.891
132 HA DAL 18 HA DAL 18 -0.867 -2.753 -12.761
133 HB1 DAL 18 2HB DAL 18 -0.475 -4.976 -12.745
134 HB2 DAL 18 3HB DAL 18 -2.213 -5.280 -12.511
135 H PHE 19 H PHE 19 -3.940 -4.508 -13.086
136 HA PHE 19 HA PHE 19 -5.365 -2.525 -11.546
137 HB2 PHE 19 2HB PHE 19 -6.091 -5.083 -12.916
138 HB3 PHE 19 3HB PHE 19 -7.176 -4.431 -11.692
139 HD1 PHE 19 HD1 PHE 19 -9.006 -3.532 -12.751
140 HD2 PHE 19 HD2 PHE 19 -5.127 -2.785 -14.335
141 HE1 PHE 19 HE1 PHE 19 -9.985 -2.018 -14.426
142 HE2 PHE 19 HE2 PHE 19 -6.099 -1.269 -16.011
143 HZ PHE 19 HZ PHE 19 -8.531 -0.884 -16.058
144 H GLN 20 H GLN 20 -4.734 -6.010 -11.108
145 HA GLN 20 HA GLN 20 -3.958 -5.733 -8.402
146 HB2 GLN 20 2HB GLN 20 -6.769 -5.805 -8.862
147 HB3 GLN 20 3HB GLN 20 -6.303 -7.325 -8.110
148 HG2 GLN 20 2HG GLN 20 -5.028 -5.828 -6.433
149 HG3 GLN 20 3HG GLN 20 -6.066 -4.544 -7.049
150 HE21 GLN 20 1HE2 GLN 20 -6.060 -7.705 -5.514
151 HE22 GLN 20 2HE2 GLN 20 -7.601 -7.543 -4.751
152 H PHE 21 H PHE 21 -3.918 -7.957 -7.294
153 HA PHE 21 HA PHE 21 -3.384 -10.030 -9.319
154 HB2 PHE 21 2HB PHE 21 -1.798 -9.242 -6.887
155 HB3 PHE 21 3HB PHE 21 -1.652 -10.851 -7.585
156 HD1 PHE 21 HD1 PHE 21 -1.749 -7.339 -8.856
157 HD2 PHE 21 HD2 PHE 21 0.167 -11.139 -8.937
158 HE1 PHE 21 HE1 PHE 21 -0.119 -6.478 -10.484
159 HE2 PHE 21 HE2 PHE 21 1.801 -10.284 -10.565
160 HZ PHE 21 HZ PHE 21 1.660 -7.951 -11.341
161 H VAL 22 H VAL 22 -5.211 -11.232 -9.123
162 HA VAL 22 HA VAL 22 -6.336 -11.892 -6.556
163 HB VAL 22 HB VAL 22 -7.872 -13.352 -7.883
164 HG11 VAL 22 1HG1 VAL 22 -7.537 -10.434 -8.403
165 HG12 VAL 22 2HG1 VAL 22 -8.793 -11.328 -9.262
166 HG13 VAL 22 3HG1 VAL 22 -8.793 -11.280 -7.499
167 HG21 VAL 22 1HG2 VAL 22 -5.855 -13.056 -9.839
168 HG22 VAL 22 2HG2 VAL 22 -7.358 -13.970 -9.954
169 HG23 VAL 22 3HG2 VAL 22 -7.310 -12.284 -10.467
170 H PHE 23 H PHE 23 -4.180 -13.381 -8.855
171 HA PHE 23 HA PHE 23 -3.551 -15.456 -6.933
172 HB2 PHE 23 2HB PHE 23 -4.562 -16.134 -9.703
173 HB3 PHE 23 3HB PHE 23 -3.831 -17.284 -8.588
174 HD1 PHE 23 HD1 PHE 23 -4.969 -17.454 -6.244
175 HD2 PHE 23 HD2 PHE 23 -6.850 -15.889 -9.728
176 HE1 PHE 23 HE1 PHE 23 -7.175 -17.888 -5.245
177 HE2 PHE 23 HE2 PHE 23 -9.058 -16.320 -8.733
178 HZ PHE 23 HZ PHE 23 -9.223 -17.320 -6.489
179 H DBU 24 H DBU 24 -2.318 -13.122 -8.391
180 HB DBU 24 HB DBU 24 1.570 -13.734 -9.220
181 HG1 DBU 24 1HG DBU 24 1.862 -14.580 -6.997
182 HG2 DBU 24 2HG DBU 24 0.703 -15.788 -7.569
183 HG3 DBU 24 3HG DBU 24 0.137 -14.369 -6.669
184 H CYS 25 H CYS 25 -2.422 -13.265 -10.855
185 HA CYS 25 HA CYS 25 -0.781 -12.366 -13.047
186 HB2 CYS 25 2HB CYS 25 -3.796 -12.321 -12.878
187 HB3 CYS 25 3HB CYS 25 -2.802 -12.325 -14.331
188 H CYS 26 H CYS 26 -1.426 -10.344 -14.252
189 HA CYS 26 HA CYS 26 -1.458 -8.133 -12.359
190 HB2 CYS 26 2HB CYS 26 0.250 -7.970 -14.012
191 HB3 CYS 26 3HB CYS 26 -0.882 -8.312 -15.315
192 H SER 27 H SER 27 -3.430 -9.535 -14.887
193 HA SER 27 HA SER 27 -5.545 -9.111 -15.614
194 HB2 SER 27 2HB SER 27 -5.620 -9.042 -12.852
195 HB3 SER 27 3HB SER 27 -6.415 -7.534 -13.307
196 HG SER 27 HG SER 27 -7.978 -9.097 -13.278
Start of MODEL 6
1 H1 LYS 1 H LYS 1 7.168 -1.415 3.464
2 HA LYS 1 HA LYS 1 7.275 -2.770 0.848
3 HB2 LYS 1 2HB LYS 1 7.398 -4.255 2.875
4 HB3 LYS 1 3HB LYS 1 5.783 -3.707 3.303
5 HG2 LYS 1 2HG LYS 1 4.887 -5.236 1.982
6 HG3 LYS 1 3HG LYS 1 5.762 -4.587 0.593
7 HD2 LYS 1 2HD LYS 1 7.001 -6.480 2.581
8 HD3 LYS 1 3HD LYS 1 6.176 -7.023 1.118
9 HE2 LYS 1 2HE LYS 1 7.912 -6.481 -0.184
10 HE3 LYS 1 3HE LYS 1 8.129 -4.922 0.611
11 HZ1 LYS 1 1HZ LYS 1 9.059 -6.481 2.503
12 HZ2 LYS 1 2HZ LYS 1 10.041 -5.935 1.238
13 HZ3 LYS 1 3HZ LYS 1 9.387 -7.494 1.188
14 H LYS 2 H LYS 2 6.336 -0.310 0.670
15 HA LYS 2 HA LYS 2 3.401 -0.559 0.731
16 HB2 LYS 2 2HB LYS 2 5.201 1.595 1.471
17 HB3 LYS 2 3HB LYS 2 4.025 2.125 0.275
18 HG2 LYS 2 2HG LYS 2 2.628 0.611 2.207
19 HG3 LYS 2 3HG LYS 2 3.682 1.732 3.071
20 HD2 LYS 2 2HD LYS 2 2.781 3.532 1.514
21 HD3 LYS 2 3HD LYS 2 1.548 2.359 1.045
22 HE2 LYS 2 2HE LYS 2 0.355 3.030 2.797
23 HE3 LYS 2 3HE LYS 2 1.584 2.308 3.835
24 HZ1 LYS 2 1HZ LYS 2 1.077 4.686 4.305
25 HZ2 LYS 2 2HZ LYS 2 1.746 5.083 2.803
26 HZ3 LYS 2 3HZ LYS 2 2.711 4.372 3.997
27 H LYS 3 H LYS 3 2.511 1.195 -0.994
28 HA LYS 3 HA LYS 3 2.088 1.575 -3.196
29 HB2 LYS 3 2HB LYS 3 4.731 2.247 -2.796
30 HB3 LYS 3 3HB LYS 3 4.817 1.146 -4.165
31 HG2 LYS 3 2HG LYS 3 2.789 2.698 -4.974
32 HG3 LYS 3 3HG LYS 3 3.672 3.856 -3.976
33 HD2 LYS 3 2HD LYS 3 5.249 2.204 -5.869
34 HD3 LYS 3 3HD LYS 3 4.226 3.469 -6.555
35 HE2 LYS 3 2HE LYS 3 6.359 4.439 -6.189
36 HE3 LYS 3 3HE LYS 3 5.296 5.063 -4.928
37 HZ1 LYS 3 1HZ LYS 3 7.097 2.743 -4.528
38 HZ2 LYS 3 2HZ LYS 3 6.252 3.609 -3.346
39 HZ3 LYS 3 3HZ LYS 3 7.544 4.334 -4.164
40 H SER 4 H SER 4 2.771 0.614 -5.537
41 HA SER 4 HA SER 4 2.362 -2.277 -5.255
42 HB2 SER 4 2HB SER 4 2.024 -0.867 -7.868
43 HB3 SER 4 3HB SER 4 1.133 -2.239 -7.210
44 HG SER 4 HG SER 4 -0.293 -0.848 -6.578
45 H GLY 5 H GLY 5 3.388 -3.707 -6.839
46 HA2 GLY 5 2HA GLY 5 5.695 -2.738 -8.277
47 HA3 GLY 5 3HA GLY 5 6.099 -3.680 -6.849
48 H VAL 6 H VAL 6 3.967 -3.862 -9.700
49 HA VAL 6 HA VAL 6 4.673 -6.718 -9.905
50 HB VAL 6 HB VAL 6 2.194 -5.873 -11.242
51 HG11 VAL 6 1HG1 VAL 6 1.619 -8.003 -9.641
52 HG12 VAL 6 2HG1 VAL 6 2.238 -8.115 -11.289
53 HG13 VAL 6 3HG1 VAL 6 3.346 -8.218 -9.920
54 HG21 VAL 6 1HG2 VAL 6 2.503 -5.700 -8.261
55 HG22 VAL 6 2HG2 VAL 6 1.770 -4.536 -9.365
56 HG23 VAL 6 3HG2 VAL 6 0.948 -6.056 -9.013
57 H ILE 7 H ILE 7 3.720 -7.333 -12.348
58 HA ILE 7 HA ILE 7 4.820 -5.398 -14.246
59 HB ILE 7 HB ILE 7 5.672 -8.294 -14.229
60 HG12 ILE 7 2HG1 ILE 7 7.249 -5.816 -13.501
61 HG13 ILE 7 3HG1 ILE 7 6.678 -7.033 -12.365
62 HG21 ILE 7 1HG2 ILE 7 5.533 -7.287 -16.455
63 HG22 ILE 7 2HG2 ILE 7 6.582 -5.974 -15.925
64 HG23 ILE 7 3HG2 ILE 7 7.203 -7.623 -16.000
65 HD11 ILE 7 1HD1 ILE 7 9.008 -7.042 -14.116
66 HD12 ILE 7 2HD1 ILE 7 8.700 -7.930 -12.623
67 HD13 ILE 7 3HD1 ILE 7 8.076 -8.539 -14.156
68 HA PRO 8 HA PRO 8 1.196 -6.650 -16.455
69 HB2 PRO 8 2HB PRO 8 1.763 -5.381 -18.787
70 HB3 PRO 8 3HB PRO 8 1.204 -4.531 -17.342
71 HG2 PRO 8 2HG PRO 8 3.988 -4.842 -18.398
72 HG3 PRO 8 3HG PRO 8 3.199 -3.401 -17.731
73 HD2 PRO 8 2HD PRO 8 4.910 -4.925 -16.288
74 HD3 PRO 8 3HD PRO 8 3.540 -4.069 -15.551
75 H DBB 9 H DBB 9 1.218 -8.791 -16.917
76 HA DBB 9 HA DBB 9 2.902 -9.698 -19.202
77 HB2 DBB 9 3HB DBB 9 0.299 -11.023 -18.425
78 HG1 DBB 9 1HG DBB 9 -0.352 -8.699 -18.628
79 HG2 DBB 9 2HG DBB 9 0.658 -8.490 -20.079
80 HG3 DBB 9 3HG DBB 9 -0.798 -9.511 -20.148
81 H VAL 10 H VAL 10 1.481 -10.448 -16.068
82 HA VAL 10 HA VAL 10 3.359 -12.710 -15.837
83 HB VAL 10 HB VAL 10 3.560 -12.260 -13.469
84 HG11 VAL 10 1HG1 VAL 10 5.266 -11.024 -14.209
85 HG12 VAL 10 2HG1 VAL 10 4.303 -10.322 -15.510
86 HG13 VAL 10 3HG1 VAL 10 4.239 -9.627 -13.890
87 HG21 VAL 10 1HG2 VAL 10 1.406 -11.435 -12.904
88 HG22 VAL 10 2HG2 VAL 10 2.553 -10.146 -12.541
89 HG23 VAL 10 3HG2 VAL 10 1.569 -10.065 -14.002
90 H DAL 11 H DAL 11 0.124 -11.758 -15.826
91 HA DAL 11 HA DAL 11 -1.870 -12.854 -15.385
92 HB1 DAL 11 2HB DAL 11 -1.577 -14.522 -13.290
93 HB2 DAL 11 3HB DAL 11 -0.092 -13.565 -13.073
94 H HIS 12 H HIS 12 -2.865 -15.019 -15.433
95 HA HIS 12 HA HIS 12 -1.097 -17.141 -16.404
96 HB2 HIS 12 2HB HIS 12 -2.875 -17.488 -14.571
97 HB3 HIS 12 3HB HIS 12 -4.049 -17.426 -15.883
98 HD1 HIS 12 HD1 HIS 12 -4.485 -19.569 -17.067
99 HD2 HIS 12 HD2 HIS 12 -0.930 -19.663 -14.920
100 HE1 HIS 12 HE1 HIS 12 -3.660 -21.938 -17.238
101 H ASP 13 H ASP 13 -3.399 -14.845 -17.493
102 HA ASP 13 HA ASP 13 -3.412 -16.122 -20.149
103 HB2 ASP 13 2HB ASP 13 -5.640 -15.981 -18.794
104 HB3 ASP 13 3HB ASP 13 -5.610 -14.283 -19.262
105 H CYS 14 H CYS 14 -1.327 -14.580 -19.731
106 HA CYS 14 HA CYS 14 -1.438 -11.850 -19.933
107 HB2 CYS 14 2HB CYS 14 0.604 -13.448 -19.857
108 HB3 CYS 14 3HB CYS 14 0.505 -13.410 -21.614
109 H HIS 15 H HIS 15 -2.629 -10.639 -21.243
110 HA HIS 15 HA HIS 15 -2.563 -11.193 -24.119
111 HB2 HIS 15 2HB HIS 15 -4.927 -11.272 -22.374
112 HB3 HIS 15 3HB HIS 15 -5.121 -10.266 -23.806
113 HD1 HIS 15 HD1 HIS 15 -3.766 -13.763 -23.108
114 HD2 HIS 15 HD2 HIS 15 -6.099 -11.705 -25.861
115 HE1 HIS 15 HE1 HIS 15 -4.499 -15.485 -24.787
116 H MET 16 H MET 16 -4.374 -8.882 -22.113
117 HA MET 16 HA MET 16 -2.692 -6.683 -22.452
118 HB2 MET 16 2HB MET 16 -4.084 -5.429 -24.164
119 HB3 MET 16 3HB MET 16 -3.062 -6.716 -24.789
120 HG2 MET 16 2HG MET 16 -5.002 -8.209 -24.861
121 HG3 MET 16 3HG MET 16 -6.019 -6.899 -24.266
122 HE1 MET 16 1HE MET 16 -5.974 -8.779 -27.202
123 HE2 MET 16 2HE MET 16 -7.350 -7.921 -26.508
124 HE3 MET 16 3HE MET 16 -6.828 -7.564 -28.155
125 H ASN 17 H ASN 17 -3.303 -5.198 -21.009
126 HA ASN 17 HA ASN 17 -5.908 -4.284 -20.576
127 HB2 ASN 17 2HB ASN 17 -5.273 -6.765 -19.219
128 HB3 ASN 17 3HB ASN 17 -5.639 -5.488 -18.063
129 HD21 ASN 17 1HD2 ASN 17 -6.943 -7.897 -19.855
130 HD22 ASN 17 2HD2 ASN 17 -8.580 -7.351 -19.934
131 H DAL 18 H DAL 18 -3.533 -5.186 -18.095
132 HA DAL 18 HA DAL 18 -2.008 -2.848 -17.980
133 HB1 DAL 18 2HB DAL 18 -1.255 -3.620 -15.899
134 HB2 DAL 18 3HB DAL 18 -2.856 -4.246 -15.440
135 H PHE 19 H PHE 19 -4.746 -3.663 -15.833
136 HA PHE 19 HA PHE 19 -5.338 -0.780 -15.678
137 HB2 PHE 19 2HB PHE 19 -7.665 -1.265 -15.537
138 HB3 PHE 19 3HB PHE 19 -7.042 -2.217 -16.880
139 HD1 PHE 19 HD1 PHE 19 -8.749 -2.283 -13.735
140 HD2 PHE 19 HD2 PHE 19 -6.553 -4.663 -16.497
141 HE1 PHE 19 HE1 PHE 19 -9.675 -4.320 -12.711
142 HE2 PHE 19 HE2 PHE 19 -7.476 -6.703 -15.478
143 HZ PHE 19 HZ PHE 19 -9.040 -6.534 -13.583
144 H GLN 20 H GLN 20 -5.104 -3.820 -13.945
145 HA GLN 20 HA GLN 20 -4.280 -2.668 -11.545
146 HB2 GLN 20 2HB GLN 20 -7.038 -2.370 -11.907
147 HB3 GLN 20 3HB GLN 20 -6.871 -3.715 -10.787
148 HG2 GLN 20 2HG GLN 20 -5.084 -1.685 -9.958
149 HG3 GLN 20 3HG GLN 20 -6.645 -0.932 -10.280
150 HE21 GLN 20 1HE2 GLN 20 -8.148 -1.050 -8.761
151 HE22 GLN 20 2HE2 GLN 20 -8.108 -2.091 -7.383
152 H PHE 21 H PHE 21 -3.601 -4.202 -10.083
153 HA PHE 21 HA PHE 21 -3.826 -6.975 -11.003
154 HB2 PHE 21 2HB PHE 21 -1.915 -5.854 -8.948
155 HB3 PHE 21 3HB PHE 21 -1.828 -7.425 -9.738
156 HD1 PHE 21 HD1 PHE 21 -0.767 -7.684 -11.821
157 HD2 PHE 21 HD2 PHE 21 -1.528 -3.785 -10.292
158 HE1 PHE 21 HE1 PHE 21 0.655 -6.720 -13.582
159 HE2 PHE 21 HE2 PHE 21 -0.108 -2.815 -12.052
160 HZ PHE 21 HZ PHE 21 0.985 -4.282 -13.700
161 H VAL 22 H VAL 22 -5.414 -8.088 -10.080
162 HA VAL 22 HA VAL 22 -6.444 -7.408 -7.477
163 HB VAL 22 HB VAL 22 -7.140 -9.814 -9.161
164 HG11 VAL 22 1HG1 VAL 22 -8.149 -10.272 -7.175
165 HG12 VAL 22 2HG1 VAL 22 -8.241 -8.574 -6.703
166 HG13 VAL 22 3HG1 VAL 22 -9.389 -9.229 -7.871
167 HG21 VAL 22 1HG2 VAL 22 -7.688 -8.151 -10.636
168 HG22 VAL 22 2HG2 VAL 22 -9.169 -8.212 -9.679
169 HG23 VAL 22 3HG2 VAL 22 -7.966 -6.962 -9.363
170 H PHE 23 H PHE 23 -4.056 -9.523 -8.716
171 HA PHE 23 HA PHE 23 -3.226 -10.349 -6.144
172 HB2 PHE 23 2HB PHE 23 -5.275 -11.806 -6.517
173 HB3 PHE 23 3HB PHE 23 -4.372 -12.590 -7.810
174 HD1 PHE 23 HD1 PHE 23 -3.903 -11.638 -4.231
175 HD2 PHE 23 HD2 PHE 23 -3.274 -14.530 -7.289
176 HE1 PHE 23 HE1 PHE 23 -2.872 -13.149 -2.585
177 HE2 PHE 23 HE2 PHE 23 -2.243 -16.046 -5.649
178 HZ PHE 23 HZ PHE 23 -2.041 -15.357 -3.293
179 H DBU 24 H DBU 24 -2.107 -9.181 -8.502
180 HB DBU 24 HB DBU 24 1.549 -10.501 -9.484
181 HG1 DBU 24 1HG DBU 24 1.857 -9.732 -7.068
182 HG2 DBU 24 2HG DBU 24 1.509 -11.465 -7.136
183 HG3 DBU 24 3HG DBU 24 0.224 -10.316 -6.724
184 H CYS 25 H CYS 25 -2.406 -11.139 -10.669
185 HA CYS 25 HA CYS 25 -1.067 -11.026 -13.198
186 HB2 CYS 25 2HB CYS 25 -4.025 -11.432 -12.756
187 HB3 CYS 25 3HB CYS 25 -3.049 -11.983 -14.114
188 H CYS 26 H CYS 26 -2.133 -9.953 -15.107
189 HA CYS 26 HA CYS 26 -2.711 -7.175 -14.397
190 HB2 CYS 26 2HB CYS 26 -1.008 -8.203 -16.251
191 HB3 CYS 26 3HB CYS 26 -2.431 -7.904 -17.244
192 H SER 27 H SER 27 -4.250 -10.001 -15.555
193 HA SER 27 HA SER 27 -6.813 -8.777 -15.539
194 HB2 SER 27 2HB SER 27 -7.398 -8.782 -17.820
195 HB3 SER 27 3HB SER 27 -5.785 -8.070 -17.796
196 HG SER 27 HG SER 27 -5.049 -9.722 -18.873
Start of MODEL 7
1 H1 LYS 1 H LYS 1 9.726 -0.466 -7.078
2 HA LYS 1 HA LYS 1 7.749 -1.603 -5.769
3 HB2 LYS 1 2HB LYS 1 10.304 -1.814 -5.374
4 HB3 LYS 1 3HB LYS 1 10.044 -0.655 -4.078
5 HG2 LYS 1 2HG LYS 1 8.445 -2.179 -3.033
6 HG3 LYS 1 3HG LYS 1 8.710 -3.343 -4.333
7 HD2 LYS 1 2HD LYS 1 11.046 -3.553 -3.700
8 HD3 LYS 1 3HD LYS 1 10.836 -2.329 -2.446
9 HE2 LYS 1 2HE LYS 1 9.368 -3.748 -1.209
10 HE3 LYS 1 3HE LYS 1 9.292 -4.914 -2.529
11 HZ1 LYS 1 1HZ LYS 1 11.182 -5.870 -1.878
12 HZ2 LYS 1 2HZ LYS 1 10.971 -5.052 -0.413
13 HZ3 LYS 1 3HZ LYS 1 11.966 -4.395 -1.613
14 H LYS 2 H LYS 2 6.203 0.321 -5.937
15 HA LYS 2 HA LYS 2 5.399 1.069 -3.361
16 HB2 LYS 2 2HB LYS 2 7.478 2.670 -4.231
17 HB3 LYS 2 3HB LYS 2 6.052 3.618 -4.631
18 HG2 LYS 2 2HG LYS 2 5.326 3.630 -2.366
19 HG3 LYS 2 3HG LYS 2 6.552 2.447 -1.906
20 HD2 LYS 2 2HD LYS 2 8.313 4.049 -2.379
21 HD3 LYS 2 3HD LYS 2 7.123 5.225 -2.940
22 HE2 LYS 2 2HE LYS 2 6.283 4.442 -0.384
23 HE3 LYS 2 3HE LYS 2 8.027 4.669 -0.266
24 HZ1 LYS 2 1HZ LYS 2 6.323 6.654 0.005
25 HZ2 LYS 2 2HZ LYS 2 6.512 6.726 -1.674
26 HZ3 LYS 2 3HZ LYS 2 7.861 6.877 -0.665
27 H LYS 3 H LYS 3 5.417 2.081 -6.757
28 HA LYS 3 HA LYS 3 2.993 3.396 -6.887
29 HB2 LYS 3 2HB LYS 3 4.844 2.229 -8.745
30 HB3 LYS 3 3HB LYS 3 3.201 1.858 -9.253
31 HG2 LYS 3 2HG LYS 3 3.050 4.521 -8.604
32 HG3 LYS 3 3HG LYS 3 4.658 4.375 -9.318
33 HD2 LYS 3 2HD LYS 3 3.673 3.284 -11.285
34 HD3 LYS 3 3HD LYS 3 2.068 3.461 -10.571
35 HE2 LYS 3 2HE LYS 3 2.554 5.956 -10.485
36 HE3 LYS 3 3HE LYS 3 3.933 5.616 -11.531
37 HZ1 LYS 3 1HZ LYS 3 2.595 5.101 -13.286
38 HZ2 LYS 3 2HZ LYS 3 1.618 6.253 -12.525
39 HZ3 LYS 3 3HZ LYS 3 1.297 4.605 -12.320
40 H SER 4 H SER 4 3.639 -0.032 -6.705
41 HA SER 4 HA SER 4 0.864 -0.552 -6.106
42 HB2 SER 4 2HB SER 4 1.412 -2.549 -8.005
43 HB3 SER 4 3HB SER 4 0.256 -1.226 -8.156
44 HG SER 4 HG SER 4 1.510 -0.398 -9.608
45 H GLY 5 H GLY 5 3.633 -2.492 -7.254
46 HA2 GLY 5 2HA GLY 5 4.976 -3.520 -5.365
47 HA3 GLY 5 3HA GLY 5 3.416 -4.057 -4.760
48 H VAL 6 H VAL 6 2.607 -4.448 -7.684
49 HA VAL 6 HA VAL 6 3.921 -7.067 -8.002
50 HB VAL 6 HB VAL 6 1.406 -6.705 -9.450
51 HG11 VAL 6 1HG1 VAL 6 2.810 -8.817 -8.967
52 HG12 VAL 6 2HG1 VAL 6 2.018 -8.793 -7.391
53 HG13 VAL 6 3HG1 VAL 6 1.053 -8.925 -8.862
54 HG21 VAL 6 1HG2 VAL 6 1.464 -6.467 -6.453
55 HG22 VAL 6 2HG2 VAL 6 0.669 -5.409 -7.619
56 HG23 VAL 6 3HG2 VAL 6 0.046 -7.034 -7.334
57 H ILE 7 H ILE 7 3.047 -7.696 -10.533
58 HA ILE 7 HA ILE 7 3.976 -5.539 -12.281
59 HB ILE 7 HB ILE 7 5.139 -8.327 -12.300
60 HG12 ILE 7 2HG1 ILE 7 6.470 -5.659 -11.785
61 HG13 ILE 7 3HG1 ILE 7 6.017 -6.809 -10.532
62 HG21 ILE 7 1HG2 ILE 7 6.542 -6.550 -14.002
63 HG22 ILE 7 2HG2 ILE 7 5.645 -8.004 -14.435
64 HG23 ILE 7 3HG2 ILE 7 4.829 -6.441 -14.404
65 HD11 ILE 7 1HD1 ILE 7 7.554 -8.227 -12.408
66 HD12 ILE 7 2HD1 ILE 7 8.387 -6.703 -12.104
67 HD13 ILE 7 3HD1 ILE 7 7.987 -7.773 -10.761
68 HA PRO 8 HA PRO 8 0.463 -7.045 -14.548
69 HB2 PRO 8 2HB PRO 8 0.736 -5.368 -16.665
70 HB3 PRO 8 3HB PRO 8 0.085 -4.849 -15.106
71 HG2 PRO 8 2HG PRO 8 2.847 -4.517 -16.210
72 HG3 PRO 8 3HG PRO 8 1.846 -3.347 -15.330
73 HD2 PRO 8 2HD PRO 8 3.834 -4.750 -14.141
74 HD3 PRO 8 3HD PRO 8 2.362 -4.261 -13.278
75 H DBB 9 H DBB 9 0.561 -8.943 -15.566
76 HA DBB 9 HA DBB 9 2.459 -9.258 -17.839
77 HB2 DBB 9 3HB DBB 9 0.857 -10.685 -18.883
78 HG1 DBB 9 1HG DBB 9 0.262 -12.044 -16.932
79 HG2 DBB 9 2HG DBB 9 -0.594 -10.666 -16.200
80 HG3 DBB 9 3HG DBB 9 -1.223 -11.415 -17.687
81 H VAL 10 H VAL 10 1.321 -10.479 -14.803
82 HA VAL 10 HA VAL 10 3.335 -12.620 -14.956
83 HB VAL 10 HB VAL 10 3.422 -12.563 -12.524
84 HG11 VAL 10 1HG1 VAL 10 3.952 -9.899 -12.452
85 HG12 VAL 10 2HG1 VAL 10 5.049 -11.122 -13.095
86 HG13 VAL 10 3HG1 VAL 10 4.001 -10.215 -14.186
87 HG21 VAL 10 1HG2 VAL 10 1.245 -10.510 -12.819
88 HG22 VAL 10 2HG2 VAL 10 1.220 -12.006 -11.885
89 HG23 VAL 10 3HG2 VAL 10 2.221 -10.654 -11.357
90 H DAL 11 H DAL 11 -0.006 -12.007 -14.748
91 HA DAL 11 HA DAL 11 -1.869 -13.366 -14.519
92 HB1 DAL 11 2HB DAL 11 -1.257 -15.445 -12.868
93 HB2 DAL 11 3HB DAL 11 0.049 -14.316 -12.436
94 H HIS 12 H HIS 12 -2.252 -14.360 -16.394
95 HA HIS 12 HA HIS 12 -0.597 -16.684 -17.117
96 HB2 HIS 12 2HB HIS 12 -3.168 -16.903 -16.201
97 HB3 HIS 12 3HB HIS 12 -3.415 -16.834 -17.944
98 HD1 HIS 12 HD1 HIS 12 -1.904 -18.961 -15.260
99 HD2 HIS 12 HD2 HIS 12 -2.540 -19.072 -19.364
100 HE1 HIS 12 HE1 HIS 12 -1.405 -21.326 -15.954
101 H ASP 13 H ASP 13 -2.749 -14.110 -18.195
102 HA ASP 13 HA ASP 13 -1.227 -13.601 -20.522
103 HB2 ASP 13 2HB ASP 13 -3.423 -15.525 -20.762
104 HB3 ASP 13 3HB ASP 13 -3.546 -14.178 -21.891
105 H CYS 14 H CYS 14 -1.338 -11.484 -19.847
106 HA CYS 14 HA CYS 14 -4.000 -10.243 -19.739
107 HB2 CYS 14 2HB CYS 14 -2.963 -8.420 -18.526
108 HB3 CYS 14 3HB CYS 14 -2.526 -9.945 -17.762
109 H HIS 15 H HIS 15 -3.581 -7.692 -20.322
110 HA HIS 15 HA HIS 15 -2.151 -7.552 -22.873
111 HB2 HIS 15 2HB HIS 15 -4.171 -6.313 -23.821
112 HB3 HIS 15 3HB HIS 15 -4.326 -8.059 -23.651
113 HD1 HIS 15 HD1 HIS 15 -5.709 -8.855 -21.466
114 HD2 HIS 15 HD2 HIS 15 -6.120 -4.873 -22.579
115 HE1 HIS 15 HE1 HIS 15 -7.780 -8.040 -20.295
116 H MET 16 H MET 16 -1.595 -6.464 -20.252
117 HA MET 16 HA MET 16 -0.812 -4.534 -19.338
118 HB2 MET 16 2HB MET 16 0.005 -4.262 -21.761
119 HB3 MET 16 3HB MET 16 -1.343 -3.151 -21.958
120 HG2 MET 16 2HG MET 16 0.025 -1.560 -21.251
121 HG3 MET 16 3HG MET 16 -0.124 -2.276 -19.648
122 HE1 MET 16 1HE MET 16 2.561 -0.563 -21.068
123 HE2 MET 16 2HE MET 16 2.097 -0.833 -19.388
124 HE3 MET 16 3HE MET 16 3.681 -1.358 -19.961
125 H ASN 17 H ASN 17 -2.901 -4.716 -18.150
126 HA ASN 17 HA ASN 17 -4.439 -2.250 -18.525
127 HB2 ASN 17 2HB ASN 17 -5.439 -4.895 -18.989
128 HB3 ASN 17 3HB ASN 17 -6.253 -4.217 -17.582
129 HD21 ASN 17 1HD2 ASN 17 -7.103 -1.981 -17.871
130 HD22 ASN 17 2HD2 ASN 17 -7.817 -1.595 -19.396
131 H DAL 18 H DAL 18 -4.667 -5.070 -16.361
132 HA DAL 18 HA DAL 18 -3.705 -3.506 -14.074
133 HB1 DAL 18 2HB DAL 18 -4.184 -5.724 -12.865
134 HB2 DAL 18 3HB DAL 18 -4.581 -6.394 -14.465
135 H PHE 19 H PHE 19 -6.493 -5.697 -14.418
136 HA PHE 19 HA PHE 19 -8.319 -3.611 -13.576
137 HB2 PHE 19 2HB PHE 19 -8.684 -6.486 -14.405
138 HB3 PHE 19 3HB PHE 19 -10.011 -5.526 -13.759
139 HD1 PHE 19 HD1 PHE 19 -10.734 -3.469 -14.979
140 HD2 PHE 19 HD2 PHE 19 -7.987 -6.264 -16.639
141 HE1 PHE 19 HE1 PHE 19 -11.165 -2.554 -17.222
142 HE2 PHE 19 HE2 PHE 19 -8.412 -5.354 -18.885
143 HZ PHE 19 HZ PHE 19 -10.002 -3.496 -19.179
144 H GLN 20 H GLN 20 -6.898 -6.556 -12.279
145 HA GLN 20 HA GLN 20 -7.085 -5.750 -9.613
146 HB2 GLN 20 2HB GLN 20 -9.532 -6.790 -10.640
147 HB3 GLN 20 3HB GLN 20 -8.881 -7.957 -9.497
148 HG2 GLN 20 2HG GLN 20 -8.603 -5.985 -7.906
149 HG3 GLN 20 3HG GLN 20 -9.645 -5.100 -9.019
150 HE21 GLN 20 1HE2 GLN 20 -10.179 -5.749 -6.282
151 HE22 GLN 20 2HE2 GLN 20 -11.598 -6.735 -6.261
152 H PHE 21 H PHE 21 -6.225 -7.298 -8.145
153 HA PHE 21 HA PHE 21 -4.929 -9.578 -9.487
154 HB2 PHE 21 2HB PHE 21 -3.958 -7.763 -7.287
155 HB3 PHE 21 3HB PHE 21 -3.226 -9.338 -7.580
156 HD1 PHE 21 HD1 PHE 21 -4.313 -6.417 -9.641
157 HD2 PHE 21 HD2 PHE 21 -1.283 -9.280 -8.781
158 HE1 PHE 21 HE1 PHE 21 -2.885 -5.423 -11.380
159 HE2 PHE 21 HE2 PHE 21 0.150 -8.290 -10.518
160 HZ PHE 21 HZ PHE 21 -0.650 -6.358 -11.820
161 H VAL 22 H VAL 22 -6.424 -11.154 -9.030
162 HA VAL 22 HA VAL 22 -7.498 -11.505 -6.384
163 HB VAL 22 HB VAL 22 -8.560 -13.518 -7.277
164 HG11 VAL 22 1HG1 VAL 22 -9.468 -11.197 -7.700
165 HG12 VAL 22 2HG1 VAL 22 -8.800 -11.330 -9.328
166 HG13 VAL 22 3HG1 VAL 22 -10.041 -12.461 -8.787
167 HG21 VAL 22 1HG2 VAL 22 -8.255 -14.087 -9.679
168 HG22 VAL 22 2HG2 VAL 22 -6.913 -12.944 -9.738
169 HG23 VAL 22 3HG2 VAL 22 -6.816 -14.365 -8.698
170 H PHE 23 H PHE 23 -4.602 -12.330 -7.882
171 HA PHE 23 HA PHE 23 -3.606 -13.710 -5.641
172 HB2 PHE 23 2HB PHE 23 -5.111 -15.480 -6.683
173 HB3 PHE 23 3HB PHE 23 -3.982 -15.511 -8.033
174 HD1 PHE 23 HD1 PHE 23 -2.816 -17.490 -7.954
175 HD2 PHE 23 HD2 PHE 23 -3.447 -15.316 -4.349
176 HE1 PHE 23 HE1 PHE 23 -1.408 -19.101 -6.740
177 HE2 PHE 23 HE2 PHE 23 -2.040 -16.924 -3.130
178 HZ PHE 23 HZ PHE 23 -1.017 -18.819 -4.324
179 H DBU 24 H DBU 24 -2.912 -11.580 -7.480
180 HB DBU 24 HB DBU 24 0.968 -11.260 -8.339
181 HG1 DBU 24 1HG DBU 24 -0.287 -11.422 -5.613
182 HG2 DBU 24 2HG DBU 24 1.420 -11.338 -6.068
183 HG3 DBU 24 3HG DBU 24 0.566 -12.892 -6.100
184 H CYS 25 H CYS 25 -2.794 -12.639 -9.945
185 HA CYS 25 HA CYS 25 -1.388 -12.010 -12.349
186 HB2 CYS 25 2HB CYS 25 -4.310 -12.715 -12.001
187 HB3 CYS 25 3HB CYS 25 -3.385 -12.796 -13.496
188 H CYS 26 H CYS 26 -2.320 -10.640 -14.079
189 HA CYS 26 HA CYS 26 -3.622 -8.240 -12.970
190 HB2 CYS 26 2HB CYS 26 -1.122 -8.080 -13.615
191 HB3 CYS 26 3HB CYS 26 -1.696 -8.141 -15.279
192 H SER 27 H SER 27 -5.604 -9.346 -13.661
193 HA SER 27 HA SER 27 -6.236 -8.642 -16.422
194 HB2 SER 27 2HB SER 27 -6.243 -11.398 -15.306
195 HB3 SER 27 3HB SER 27 -7.602 -10.951 -16.338
196 HG SER 27 HG SER 27 -5.764 -10.130 -17.765
Start of MODEL 8
1 H1 LYS 1 H LYS 1 6.267 1.628 2.871
2 HA LYS 1 HA LYS 1 4.947 3.169 0.757
3 HB2 LYS 1 2HB LYS 1 7.841 2.655 1.422
4 HB3 LYS 1 3HB LYS 1 7.347 3.373 -0.106
5 HG2 LYS 1 2HG LYS 1 6.141 4.696 2.179
6 HG3 LYS 1 3HG LYS 1 7.905 4.720 2.230
7 HD2 LYS 1 2HD LYS 1 6.704 5.336 -0.388
8 HD3 LYS 1 3HD LYS 1 6.399 6.521 0.884
9 HE2 LYS 1 2HE LYS 1 8.394 7.157 -0.281
10 HE3 LYS 1 3HE LYS 1 8.845 6.587 1.325
11 HZ1 LYS 1 1HZ LYS 1 9.592 4.542 0.433
12 HZ2 LYS 1 2HZ LYS 1 10.263 5.756 -0.536
13 HZ3 LYS 1 3HZ LYS 1 8.933 4.869 -1.090
14 H LYS 2 H LYS 2 3.807 1.624 -0.366
15 HA LYS 2 HA LYS 2 5.443 -0.391 -1.758
16 HB2 LYS 2 2HB LYS 2 3.628 -1.967 -1.663
17 HB3 LYS 2 3HB LYS 2 3.962 -1.407 -0.029
18 HG2 LYS 2 2HG LYS 2 2.068 0.320 -0.561
19 HG3 LYS 2 3HG LYS 2 1.608 -0.879 -1.773
20 HD2 LYS 2 2HD LYS 2 2.013 -1.484 1.154
21 HD3 LYS 2 3HD LYS 2 0.446 -1.152 0.413
22 HE2 LYS 2 2HE LYS 2 0.907 -3.062 -1.157
23 HE3 LYS 2 3HE LYS 2 2.309 -3.449 -0.161
24 HZ1 LYS 2 1HZ LYS 2 0.294 -4.738 0.402
25 HZ2 LYS 2 2HZ LYS 2 -0.471 -3.304 0.867
26 HZ3 LYS 2 3HZ LYS 2 0.896 -3.843 1.705
27 H LYS 3 H LYS 3 4.372 -1.169 -3.805
28 HA LYS 3 HA LYS 3 2.353 0.256 -5.106
29 HB2 LYS 3 2HB LYS 3 4.950 1.564 -5.105
30 HB3 LYS 3 3HB LYS 3 4.388 1.227 -6.737
31 HG2 LYS 3 2HG LYS 3 2.317 2.355 -5.033
32 HG3 LYS 3 3HG LYS 3 3.720 3.410 -5.218
33 HD2 LYS 3 2HD LYS 3 3.540 3.187 -7.662
34 HD3 LYS 3 3HD LYS 3 2.108 2.176 -7.452
35 HE2 LYS 3 2HE LYS 3 1.496 4.389 -5.957
36 HE3 LYS 3 3HE LYS 3 2.404 5.082 -7.301
37 HZ1 LYS 3 1HZ LYS 3 0.763 4.643 -8.733
38 HZ2 LYS 3 2HZ LYS 3 -0.219 4.500 -7.363
39 HZ3 LYS 3 3HZ LYS 3 0.440 3.116 -8.079
40 H SER 4 H SER 4 5.408 -1.462 -5.438
41 HA SER 4 HA SER 4 4.376 -2.776 -7.860
42 HB2 SER 4 2HB SER 4 7.219 -3.036 -6.941
43 HB3 SER 4 3HB SER 4 6.564 -3.113 -8.577
44 HG SER 4 HG SER 4 7.746 -1.124 -7.881
45 H GLY 5 H GLY 5 5.836 -5.064 -7.908
46 HA2 GLY 5 2HA GLY 5 6.377 -6.751 -6.004
47 HA3 GLY 5 3HA GLY 5 4.668 -6.540 -5.653
48 H VAL 6 H VAL 6 4.225 -6.226 -8.649
49 HA VAL 6 HA VAL 6 4.517 -9.059 -9.400
50 HB VAL 6 HB VAL 6 2.125 -7.725 -10.460
51 HG11 VAL 6 1HG1 VAL 6 1.885 -9.897 -10.928
52 HG12 VAL 6 2HG1 VAL 6 3.059 -10.381 -9.702
53 HG13 VAL 6 3HG1 VAL 6 1.383 -10.073 -9.247
54 HG21 VAL 6 1HG2 VAL 6 2.472 -8.176 -7.512
55 HG22 VAL 6 2HG2 VAL 6 1.866 -6.745 -8.345
56 HG23 VAL 6 3HG2 VAL 6 0.884 -8.208 -8.278
57 H ILE 7 H ILE 7 3.464 -9.039 -11.886
58 HA ILE 7 HA ILE 7 4.742 -6.869 -13.374
59 HB ILE 7 HB ILE 7 5.315 -9.786 -13.907
60 HG12 ILE 7 2HG1 ILE 7 6.528 -8.831 -11.957
61 HG13 ILE 7 3HG1 ILE 7 7.601 -9.282 -13.277
62 HG21 ILE 7 1HG2 ILE 7 6.313 -7.320 -15.326
63 HG22 ILE 7 2HG2 ILE 7 6.779 -8.983 -15.678
64 HG23 ILE 7 3HG2 ILE 7 5.120 -8.456 -15.954
65 HD11 ILE 7 1HD1 ILE 7 7.550 -6.869 -11.947
66 HD12 ILE 7 2HD1 ILE 7 8.365 -7.210 -13.474
67 HD13 ILE 7 3HD1 ILE 7 6.739 -6.528 -13.476
68 HA PRO 8 HA PRO 8 0.971 -7.268 -15.659
69 HB2 PRO 8 2HB PRO 8 1.620 -5.568 -17.675
70 HB3 PRO 8 3HB PRO 8 1.167 -5.014 -16.059
71 HG2 PRO 8 2HG PRO 8 3.892 -5.330 -17.258
72 HG3 PRO 8 3HG PRO 8 3.254 -4.008 -16.262
73 HD2 PRO 8 2HD PRO 8 4.834 -5.961 -15.252
74 HD3 PRO 8 3HD PRO 8 3.564 -5.172 -14.296
75 H DBB 9 H DBB 9 0.934 -9.337 -16.473
76 HA DBB 9 HA DBB 9 2.404 -9.809 -19.022
77 HB2 DBB 9 3HB DBB 9 -0.305 -10.982 -18.284
78 HG1 DBB 9 1HG DBB 9 0.366 -8.461 -19.865
79 HG2 DBB 9 2HG DBB 9 -1.230 -9.250 -19.865
80 HG3 DBB 9 3HG DBB 9 -0.579 -8.559 -18.359
81 H VAL 10 H VAL 10 1.020 -11.181 -16.073
82 HA VAL 10 HA VAL 10 2.787 -13.516 -16.419
83 HB VAL 10 HB VAL 10 2.999 -13.597 -13.953
84 HG11 VAL 10 1HG1 VAL 10 4.723 -12.035 -13.827
85 HG12 VAL 10 2HG1 VAL 10 4.585 -12.357 -15.556
86 HG13 VAL 10 3HG1 VAL 10 3.888 -10.887 -14.873
87 HG21 VAL 10 1HG2 VAL 10 2.416 -11.040 -13.114
88 HG22 VAL 10 2HG2 VAL 10 1.048 -11.445 -14.150
89 HG23 VAL 10 3HG2 VAL 10 1.455 -12.482 -12.783
90 H DAL 11 H DAL 11 -0.362 -12.485 -16.207
91 HA DAL 11 HA DAL 11 -2.400 -13.553 -15.923
92 HB1 DAL 11 2HB DAL 11 -2.219 -15.463 -14.049
93 HB2 DAL 11 3HB DAL 11 -0.675 -14.645 -13.714
94 H HIS 12 H HIS 12 -3.466 -15.678 -16.213
95 HA HIS 12 HA HIS 12 -1.762 -17.702 -17.470
96 HB2 HIS 12 2HB HIS 12 -4.293 -17.746 -16.001
97 HB3 HIS 12 3HB HIS 12 -4.323 -18.725 -17.464
98 HD1 HIS 12 HD1 HIS 12 -3.882 -19.274 -14.108
99 HD2 HIS 12 HD2 HIS 12 -1.534 -20.230 -17.399
100 HE1 HIS 12 HE1 HIS 12 -2.415 -21.174 -13.358
101 H ASP 13 H ASP 13 -3.469 -15.044 -18.371
102 HA ASP 13 HA ASP 13 -4.013 -16.161 -21.043
103 HB2 ASP 13 2HB ASP 13 -5.727 -14.583 -19.260
104 HB3 ASP 13 3HB ASP 13 -5.627 -13.941 -20.897
105 H CYS 14 H CYS 14 -3.302 -13.161 -19.267
106 HA CYS 14 HA CYS 14 -2.040 -11.344 -19.791
107 HB2 CYS 14 2HB CYS 14 -0.491 -13.440 -20.434
108 HB3 CYS 14 3HB CYS 14 -0.651 -12.715 -22.030
109 H HIS 15 H HIS 15 -3.398 -9.867 -20.633
110 HA HIS 15 HA HIS 15 -3.657 -9.808 -23.560
111 HB2 HIS 15 2HB HIS 15 -5.800 -9.965 -21.564
112 HB3 HIS 15 3HB HIS 15 -6.001 -8.645 -22.713
113 HD1 HIS 15 HD1 HIS 15 -5.815 -12.394 -22.540
114 HD2 HIS 15 HD2 HIS 15 -6.701 -9.404 -25.285
115 HE1 HIS 15 HE1 HIS 15 -6.802 -13.577 -24.527
116 H MET 16 H MET 16 -4.931 -7.715 -20.989
117 HA MET 16 HA MET 16 -2.988 -5.727 -21.071
118 HB2 MET 16 2HB MET 16 -4.752 -5.715 -23.364
119 HB3 MET 16 3HB MET 16 -4.917 -4.227 -22.442
120 HG2 MET 16 2HG MET 16 -2.145 -4.938 -22.765
121 HG3 MET 16 3HG MET 16 -2.965 -4.844 -24.322
122 HE1 MET 16 1HE MET 16 -1.797 -2.651 -25.345
123 HE2 MET 16 2HE MET 16 -3.540 -2.862 -25.519
124 HE3 MET 16 3HE MET 16 -2.879 -1.276 -25.119
125 H ASN 17 H ASN 17 -3.348 -5.238 -18.990
126 HA ASN 17 HA ASN 17 -5.509 -3.597 -18.245
127 HB2 ASN 17 2HB ASN 17 -6.407 -6.115 -18.336
128 HB3 ASN 17 3HB ASN 17 -5.717 -6.141 -16.716
129 HD21 ASN 17 1HD2 ASN 17 -7.637 -6.275 -15.642
130 HD22 ASN 17 2HD2 ASN 17 -8.795 -4.993 -15.601
131 H DAL 18 H DAL 18 -2.841 -3.257 -18.001
132 HA DAL 18 HA DAL 18 -1.100 -2.805 -16.528
133 HB1 DAL 18 2HB DAL 18 -0.572 -4.560 -15.201
134 HB2 DAL 18 3HB DAL 18 -2.033 -4.317 -14.214
135 H PHE 19 H PHE 19 -3.834 -3.459 -14.337
136 HA PHE 19 HA PHE 19 -3.712 -0.633 -13.510
137 HB2 PHE 19 2HB PHE 19 -6.079 -2.463 -13.856
138 HB3 PHE 19 3HB PHE 19 -6.169 -1.017 -12.857
139 HD1 PHE 19 HD1 PHE 19 -7.121 0.798 -13.865
140 HD2 PHE 19 HD2 PHE 19 -4.870 -1.923 -16.241
141 HE1 PHE 19 HE1 PHE 19 -7.604 2.150 -15.863
142 HE2 PHE 19 HE2 PHE 19 -5.348 -0.576 -18.243
143 HZ PHE 19 HZ PHE 19 -6.716 1.464 -18.056
144 H GLN 20 H GLN 20 -4.317 -3.957 -12.471
145 HA GLN 20 HA GLN 20 -2.985 -3.621 -10.011
146 HB2 GLN 20 2HB GLN 20 -5.199 -2.354 -9.659
147 HB3 GLN 20 3HB GLN 20 -5.953 -3.943 -9.644
148 HG2 GLN 20 2HG GLN 20 -4.079 -4.425 -7.850
149 HG3 GLN 20 3HG GLN 20 -4.153 -2.675 -7.658
150 HE21 GLN 20 1HE2 GLN 20 -6.234 -1.735 -7.157
151 HE22 GLN 20 2HE2 GLN 20 -7.380 -2.649 -6.244
152 H PHE 21 H PHE 21 -2.684 -5.567 -8.928
153 HA PHE 21 HA PHE 21 -3.597 -7.927 -10.415
154 HB2 PHE 21 2HB PHE 21 -1.379 -7.803 -8.369
155 HB3 PHE 21 3HB PHE 21 -1.701 -9.092 -9.523
156 HD1 PHE 21 HD1 PHE 21 -0.812 -9.029 -11.697
157 HD2 PHE 21 HD2 PHE 21 -0.578 -5.586 -9.206
158 HE1 PHE 21 HE1 PHE 21 0.723 -7.974 -13.305
159 HE2 PHE 21 HE2 PHE 21 0.957 -4.526 -10.810
160 HZ PHE 21 HZ PHE 21 1.609 -5.719 -12.863
161 H VAL 22 H VAL 22 -5.196 -9.080 -9.583
162 HA VAL 22 HA VAL 22 -6.019 -8.702 -6.836
163 HB VAL 22 HB VAL 22 -7.175 -10.539 -8.938
164 HG11 VAL 22 1HG1 VAL 22 -7.939 -11.330 -6.877
165 HG12 VAL 22 2HG1 VAL 22 -8.084 -9.706 -6.203
166 HG13 VAL 22 3HG1 VAL 22 -9.228 -10.259 -7.426
167 HG21 VAL 22 1HG2 VAL 22 -8.060 -7.777 -8.107
168 HG22 VAL 22 2HG2 VAL 22 -7.231 -8.174 -9.612
169 HG23 VAL 22 3HG2 VAL 22 -8.845 -8.811 -9.301
170 H PHE 23 H PHE 23 -4.321 -11.077 -8.729
171 HA PHE 23 HA PHE 23 -3.547 -12.487 -6.337
172 HB2 PHE 23 2HB PHE 23 -5.773 -13.495 -7.058
173 HB3 PHE 23 3HB PHE 23 -4.933 -14.085 -8.489
174 HD1 PHE 23 HD1 PHE 23 -4.157 -16.237 -8.424
175 HD2 PHE 23 HD2 PHE 23 -4.476 -14.054 -4.784
176 HE1 PHE 23 HE1 PHE 23 -3.420 -18.223 -7.172
177 HE2 PHE 23 HE2 PHE 23 -3.739 -16.036 -3.526
178 HZ PHE 23 HZ PHE 23 -3.209 -18.124 -4.720
179 H DBU 24 H DBU 24 -2.308 -10.968 -8.516
180 HB DBU 24 HB DBU 24 1.209 -12.464 -9.737
181 HG1 DBU 24 1HG DBU 24 1.042 -13.810 -7.519
182 HG2 DBU 24 2HG DBU 24 -0.092 -12.571 -6.964
183 HG3 DBU 24 3HG DBU 24 1.595 -12.145 -7.299
184 H CYS 25 H CYS 25 -2.770 -12.501 -10.979
185 HA CYS 25 HA CYS 25 -1.409 -12.069 -13.460
186 HB2 CYS 25 2HB CYS 25 -4.396 -12.249 -13.099
187 HB3 CYS 25 3HB CYS 25 -3.443 -12.690 -14.512
188 H CYS 26 H CYS 26 -2.268 -10.565 -15.132
189 HA CYS 26 HA CYS 26 -2.642 -7.923 -13.938
190 HB2 CYS 26 2HB CYS 26 -0.852 -8.501 -15.712
191 HB3 CYS 26 3HB CYS 26 -2.184 -8.463 -16.862
192 H SER 27 H SER 27 -3.971 -9.785 -16.676
193 HA SER 27 HA SER 27 -6.234 -8.053 -16.942
194 HB2 SER 27 2HB SER 27 -5.074 -9.592 -18.724
195 HB3 SER 27 3HB SER 27 -6.170 -10.821 -18.094
196 HG SER 27 HG SER 27 -6.904 -8.291 -19.157
Start of MODEL 9
1 H1 LYS 1 H LYS 1 -1.594 -1.137 0.366
2 HA LYS 1 HA LYS 1 -2.117 -1.997 -2.256
3 HB2 LYS 1 2HB LYS 1 -3.219 0.755 -1.675
4 HB3 LYS 1 3HB LYS 1 -3.254 -0.101 -3.211
5 HG2 LYS 1 2HG LYS 1 -4.784 -1.740 -2.300
6 HG3 LYS 1 3HG LYS 1 -4.700 -0.969 -0.715
7 HD2 LYS 1 2HD LYS 1 -5.732 1.029 -1.578
8 HD3 LYS 1 3HD LYS 1 -5.682 0.390 -3.223
9 HE2 LYS 1 2HE LYS 1 -7.882 0.016 -2.552
10 HE3 LYS 1 3HE LYS 1 -7.099 -1.542 -2.296
11 HZ1 LYS 1 1HZ LYS 1 -8.552 -0.782 -0.442
12 HZ2 LYS 1 2HZ LYS 1 -7.459 0.476 -0.153
13 HZ3 LYS 1 3HZ LYS 1 -6.963 -1.132 0.022
14 H LYS 2 H LYS 2 -0.464 -1.428 -3.563
15 HA LYS 2 HA LYS 2 1.052 0.981 -3.163
16 HB2 LYS 2 2HB LYS 2 1.839 -1.252 -1.681
17 HB3 LYS 2 3HB LYS 2 2.940 -1.221 -3.052
18 HG2 LYS 2 2HG LYS 2 3.652 0.998 -2.512
19 HG3 LYS 2 3HG LYS 2 2.419 1.139 -1.257
20 HD2 LYS 2 2HD LYS 2 3.673 0.047 0.245
21 HD3 LYS 2 3HD LYS 2 4.149 -1.189 -0.923
22 HE2 LYS 2 2HE LYS 2 5.341 1.450 -1.385
23 HE3 LYS 2 3HE LYS 2 5.814 0.694 0.135
24 HZ1 LYS 2 1HZ LYS 2 7.368 -0.152 -1.291
25 HZ2 LYS 2 2HZ LYS 2 6.317 -0.195 -2.616
26 HZ3 LYS 2 3HZ LYS 2 6.188 -1.361 -1.396
27 H LYS 3 H LYS 3 2.100 1.585 -4.990
28 HA LYS 3 HA LYS 3 1.453 0.492 -7.441
29 HB2 LYS 3 2HB LYS 3 3.635 2.321 -6.520
30 HB3 LYS 3 3HB LYS 3 3.653 1.731 -8.177
31 HG2 LYS 3 2HG LYS 3 1.126 2.562 -8.075
32 HG3 LYS 3 3HG LYS 3 1.817 3.637 -6.858
33 HD2 LYS 3 2HD LYS 3 3.511 4.364 -8.481
34 HD3 LYS 3 3HD LYS 3 2.791 3.305 -9.696
35 HE2 LYS 3 2HE LYS 3 2.078 5.653 -9.938
36 HE3 LYS 3 3HE LYS 3 0.728 4.563 -9.624
37 HZ1 LYS 3 1HZ LYS 3 0.998 6.807 -8.325
38 HZ2 LYS 3 2HZ LYS 3 2.006 5.873 -7.339
39 HZ3 LYS 3 3HZ LYS 3 0.389 5.426 -7.560
40 H SER 4 H SER 4 1.864 -1.509 -8.110
41 HA SER 4 HA SER 4 4.564 -2.603 -7.659
42 HB2 SER 4 2HB SER 4 3.294 -4.864 -7.986
43 HB3 SER 4 3HB SER 4 3.201 -4.039 -6.429
44 HG SER 4 HG SER 4 1.150 -3.605 -6.766
45 H GLY 5 H GLY 5 5.166 -4.305 -9.314
46 HA2 GLY 5 2HA GLY 5 3.942 -4.378 -11.854
47 HA3 GLY 5 3HA GLY 5 5.218 -3.170 -11.869
48 H VAL 6 H VAL 6 4.569 -6.580 -11.156
49 HA VAL 6 HA VAL 6 7.367 -7.273 -11.253
50 HB VAL 6 HB VAL 6 4.915 -9.037 -11.165
51 HG11 VAL 6 1HG1 VAL 6 6.940 -10.542 -10.179
52 HG12 VAL 6 2HG1 VAL 6 6.378 -10.604 -11.851
53 HG13 VAL 6 3HG1 VAL 6 7.783 -9.625 -11.426
54 HG21 VAL 6 1HG2 VAL 6 5.430 -7.482 -9.202
55 HG22 VAL 6 2HG2 VAL 6 5.220 -9.196 -8.846
56 HG23 VAL 6 3HG2 VAL 6 6.840 -8.503 -8.923
57 H ILE 7 H ILE 7 4.734 -8.849 -13.031
58 HA ILE 7 HA ILE 7 6.128 -8.365 -15.554
59 HB ILE 7 HB ILE 7 5.396 -11.120 -14.557
60 HG12 ILE 7 2HG1 ILE 7 7.536 -10.179 -13.704
61 HG13 ILE 7 3HG1 ILE 7 7.766 -11.596 -14.723
62 HG21 ILE 7 1HG2 ILE 7 4.821 -10.958 -16.885
63 HG22 ILE 7 2HG2 ILE 7 6.375 -10.217 -17.259
64 HG23 ILE 7 3HG2 ILE 7 6.305 -11.897 -16.731
65 HD11 ILE 7 1HD1 ILE 7 9.403 -9.805 -15.143
66 HD12 ILE 7 2HD1 ILE 7 8.444 -10.211 -16.567
67 HD13 ILE 7 3HD1 ILE 7 8.082 -8.751 -15.647
68 HA PRO 8 HA PRO 8 1.775 -7.654 -16.423
69 HB2 PRO 8 2HB PRO 8 2.216 -6.455 -18.819
70 HB3 PRO 8 3HB PRO 8 2.408 -5.616 -17.275
71 HG2 PRO 8 2HG PRO 8 4.494 -6.851 -19.032
72 HG3 PRO 8 3HG PRO 8 4.528 -5.299 -18.176
73 HD2 PRO 8 2HD PRO 8 5.788 -7.506 -17.242
74 HD3 PRO 8 3HD PRO 8 5.093 -6.277 -16.167
75 H DBB 9 H DBB 9 1.133 -9.799 -16.735
76 HA DBB 9 HA DBB 9 1.606 -10.950 -19.439
77 HB2 DBB 9 3HB DBB 9 -0.999 -11.595 -18.209
78 HG1 DBB 9 1HG DBB 9 -0.306 -8.728 -18.978
79 HG2 DBB 9 2HG DBB 9 -1.971 -9.342 -18.836
80 HG3 DBB 9 3HG DBB 9 -0.911 -9.305 -17.406
81 H VAL 10 H VAL 10 0.623 -11.492 -16.075
82 HA VAL 10 HA VAL 10 1.613 -14.259 -16.318
83 HB VAL 10 HB VAL 10 1.925 -12.368 -13.984
84 HG11 VAL 10 1HG1 VAL 10 2.575 -15.303 -14.212
85 HG12 VAL 10 2HG1 VAL 10 3.151 -14.252 -12.917
86 HG13 VAL 10 3HG1 VAL 10 1.423 -14.547 -13.111
87 HG21 VAL 10 1HG2 VAL 10 3.907 -13.660 -15.851
88 HG22 VAL 10 2HG2 VAL 10 3.554 -11.940 -15.690
89 HG23 VAL 10 3HG2 VAL 10 4.349 -12.804 -14.374
90 H DAL 11 H DAL 11 -0.899 -12.158 -15.304
91 HA DAL 11 HA DAL 11 -2.989 -12.510 -14.363
92 HB1 DAL 11 2HB DAL 11 -3.014 -14.512 -12.652
93 HB2 DAL 11 3HB DAL 11 -1.251 -14.509 -12.899
94 H HIS 12 H HIS 12 -4.761 -13.495 -15.135
95 HA HIS 12 HA HIS 12 -4.416 -16.099 -16.470
96 HB2 HIS 12 2HB HIS 12 -6.177 -15.457 -14.445
97 HB3 HIS 12 3HB HIS 12 -7.172 -15.299 -15.890
98 HD1 HIS 12 HD1 HIS 12 -5.018 -17.849 -14.108
99 HD2 HIS 12 HD2 HIS 12 -8.030 -17.664 -16.963
100 HE1 HIS 12 HE1 HIS 12 -5.689 -20.235 -14.534
101 H ASP 13 H ASP 13 -4.845 -16.247 -18.586
102 HA ASP 13 HA ASP 13 -5.643 -15.747 -20.673
103 HB2 ASP 13 2HB ASP 13 -7.558 -14.611 -19.059
104 HB3 ASP 13 3HB ASP 13 -7.007 -13.237 -20.014
105 H CYS 14 H CYS 14 -4.894 -12.787 -18.836
106 HA CYS 14 HA CYS 14 -3.421 -11.096 -19.222
107 HB2 CYS 14 2HB CYS 14 -1.810 -12.963 -19.581
108 HB3 CYS 14 3HB CYS 14 -2.212 -12.937 -21.295
109 H HIS 15 H HIS 15 -3.913 -9.264 -20.221
110 HA HIS 15 HA HIS 15 -4.526 -9.297 -23.084
111 HB2 HIS 15 2HB HIS 15 -6.384 -8.578 -20.891
112 HB3 HIS 15 3HB HIS 15 -6.360 -7.489 -22.275
113 HD1 HIS 15 HD1 HIS 15 -7.679 -8.189 -24.273
114 HD2 HIS 15 HD2 HIS 15 -7.039 -11.327 -21.627
115 HE1 HIS 15 HE1 HIS 15 -9.055 -10.101 -25.152
116 H MET 16 H MET 16 -4.642 -6.927 -20.420
117 HA MET 16 HA MET 16 -2.286 -5.579 -21.061
118 HB2 MET 16 2HB MET 16 -4.446 -5.012 -22.859
119 HB3 MET 16 3HB MET 16 -4.079 -3.567 -21.927
120 HG2 MET 16 2HG MET 16 -2.106 -3.253 -22.941
121 HG3 MET 16 3HG MET 16 -1.738 -4.976 -22.987
122 HE1 MET 16 1HE MET 16 -1.160 -3.184 -26.091
123 HE2 MET 16 2HE MET 16 -2.663 -2.265 -26.174
124 HE3 MET 16 3HE MET 16 -1.700 -2.249 -24.696
125 H ASN 17 H ASN 17 -1.850 -4.864 -19.084
126 HA ASN 17 HA ASN 17 -3.252 -2.805 -17.830
127 HB2 ASN 17 2HB ASN 17 -4.535 -5.265 -17.455
128 HB3 ASN 17 3HB ASN 17 -3.670 -4.969 -15.950
129 HD21 ASN 17 1HD2 ASN 17 -5.670 -3.219 -18.301
130 HD22 ASN 17 2HD2 ASN 17 -6.583 -2.342 -17.125
131 H DAL 18 H DAL 18 -2.710 -3.200 -15.172
132 HA DAL 18 HA DAL 18 0.237 -3.176 -15.168
133 HB1 DAL 18 2HB DAL 18 -0.188 -4.533 -12.844
134 HB2 DAL 18 3HB DAL 18 -1.496 -5.214 -13.841
135 H PHE 19 H PHE 19 -2.299 -3.340 -12.672
136 HA PHE 19 HA PHE 19 -1.526 -0.621 -11.842
137 HB2 PHE 19 2HB PHE 19 -4.180 -2.041 -11.756
138 HB3 PHE 19 3HB PHE 19 -3.856 -0.629 -10.756
139 HD1 PHE 19 HD1 PHE 19 -3.717 -1.761 -14.300
140 HD2 PHE 19 HD2 PHE 19 -4.293 1.474 -11.595
141 HE1 PHE 19 HE1 PHE 19 -4.319 -0.298 -16.184
142 HE2 PHE 19 HE2 PHE 19 -4.897 2.943 -13.474
143 HZ PHE 19 HZ PHE 19 -4.911 2.057 -15.772
144 H GLN 20 H GLN 20 -2.420 -3.847 -10.725
145 HA GLN 20 HA GLN 20 -0.738 -3.568 -8.412
146 HB2 GLN 20 2HB GLN 20 -3.658 -3.251 -8.206
147 HB3 GLN 20 3HB GLN 20 -2.963 -4.407 -7.077
148 HG2 GLN 20 2HG GLN 20 -2.430 -2.716 -5.761
149 HG3 GLN 20 3HG GLN 20 -1.287 -2.174 -6.988
150 HE21 GLN 20 1HE2 GLN 20 -2.910 -0.641 -5.093
151 HE22 GLN 20 2HE2 GLN 20 -3.848 0.449 -6.048
152 H PHE 21 H PHE 21 -0.510 -5.574 -7.221
153 HA PHE 21 HA PHE 21 -1.311 -7.915 -8.822
154 HB2 PHE 21 2HB PHE 21 1.260 -7.269 -7.413
155 HB3 PHE 21 3HB PHE 21 0.803 -8.945 -7.701
156 HD1 PHE 21 HD1 PHE 21 1.919 -9.863 -9.472
157 HD2 PHE 21 HD2 PHE 21 0.684 -5.796 -9.707
158 HE1 PHE 21 HE1 PHE 21 2.833 -9.720 -11.752
159 HE2 PHE 21 HE2 PHE 21 1.596 -5.648 -11.987
160 HZ PHE 21 HZ PHE 21 2.671 -7.611 -13.013
161 H VAL 22 H VAL 22 -2.992 -8.787 -7.767
162 HA VAL 22 HA VAL 22 -3.176 -8.770 -4.893
163 HB VAL 22 HB VAL 22 -5.278 -9.944 -5.179
164 HG11 VAL 22 1HG1 VAL 22 -6.489 -8.267 -6.321
165 HG12 VAL 22 2HG1 VAL 22 -5.069 -7.465 -5.648
166 HG13 VAL 22 3HG1 VAL 22 -5.119 -7.881 -7.362
167 HG21 VAL 22 1HG2 VAL 22 -5.752 -10.110 -7.887
168 HG22 VAL 22 2HG2 VAL 22 -4.089 -10.676 -7.735
169 HG23 VAL 22 3HG2 VAL 22 -5.375 -11.461 -6.818
170 H PHE 23 H PHE 23 -1.839 -10.838 -7.258
171 HA PHE 23 HA PHE 23 -0.751 -12.609 -5.361
172 HB2 PHE 23 2HB PHE 23 -3.170 -13.368 -5.376
173 HB3 PHE 23 3HB PHE 23 -2.914 -13.879 -7.042
174 HD1 PHE 23 HD1 PHE 23 -1.263 -14.259 -3.715
175 HD2 PHE 23 HD2 PHE 23 -2.419 -16.088 -7.380
176 HE1 PHE 23 HE1 PHE 23 -0.385 -16.413 -2.912
177 HE2 PHE 23 HE2 PHE 23 -1.544 -18.245 -6.584
178 HZ PHE 23 HZ PHE 23 -0.526 -18.410 -4.347
179 H DBU 24 H DBU 24 0.241 -11.105 -7.480
180 HB DBU 24 HB DBU 24 2.951 -12.759 -9.857
181 HG1 DBU 24 1HG DBU 24 2.973 -14.205 -7.521
182 HG2 DBU 24 2HG DBU 24 2.755 -12.586 -6.843
183 HG3 DBU 24 3HG DBU 24 4.177 -12.950 -7.837
184 H CYS 25 H CYS 25 -1.262 -11.802 -9.661
185 HA CYS 25 HA CYS 25 -0.811 -11.784 -12.495
186 HB2 CYS 25 2HB CYS 25 -3.329 -10.932 -11.065
187 HB3 CYS 25 3HB CYS 25 -3.175 -11.539 -12.711
188 H CYS 26 H CYS 26 -1.558 -9.997 -13.893
189 HA CYS 26 HA CYS 26 -1.082 -7.361 -12.666
190 HB2 CYS 26 2HB CYS 26 0.834 -8.310 -14.084
191 HB3 CYS 26 3HB CYS 26 -0.225 -8.063 -15.468
192 H SER 27 H SER 27 -3.624 -8.399 -12.960
193 HA SER 27 HA SER 27 -5.679 -8.023 -13.877
194 HB2 SER 27 2HB SER 27 -4.229 -5.431 -14.022
195 HB3 SER 27 3HB SER 27 -5.745 -5.551 -14.915
196 HG SER 27 HG SER 27 -5.849 -4.843 -12.634
Start of MODEL 10
1 H1 LYS 1 H LYS 1 -0.896 2.507 -3.674
2 HA LYS 1 HA LYS 1 -0.895 3.382 -5.849
3 HB2 LYS 1 2HB LYS 1 1.336 4.972 -4.671
4 HB3 LYS 1 3HB LYS 1 1.305 4.760 -6.417
5 HG2 LYS 1 2HG LYS 1 -0.187 6.379 -6.602
6 HG3 LYS 1 3HG LYS 1 -1.304 5.492 -5.562
7 HD2 LYS 1 2HD LYS 1 -1.034 7.488 -4.416
8 HD3 LYS 1 3HD LYS 1 0.145 6.437 -3.627
9 HE2 LYS 1 2HE LYS 1 1.450 7.610 -5.831
10 HE3 LYS 1 3HE LYS 1 0.562 8.903 -5.025
11 HZ1 LYS 1 1HZ LYS 1 2.970 7.740 -4.249
12 HZ2 LYS 1 2HZ LYS 1 1.822 7.305 -3.086
13 HZ3 LYS 1 3HZ LYS 1 2.088 8.937 -3.441
14 H LYS 2 H LYS 2 -0.244 2.189 -7.550
15 HA LYS 2 HA LYS 2 0.825 0.575 -8.743
16 HB2 LYS 2 2HB LYS 2 3.291 1.485 -7.250
17 HB3 LYS 2 3HB LYS 2 3.251 0.601 -8.770
18 HG2 LYS 2 2HG LYS 2 1.754 2.792 -9.374
19 HG3 LYS 2 3HG LYS 2 2.934 3.460 -8.243
20 HD2 LYS 2 2HD LYS 2 4.709 2.296 -9.635
21 HD3 LYS 2 3HD LYS 2 3.446 2.025 -10.838
22 HE2 LYS 2 2HE LYS 2 3.303 4.240 -11.386
23 HE3 LYS 2 3HE LYS 2 3.806 4.781 -9.785
24 HZ1 LYS 2 1HZ LYS 2 6.064 3.835 -10.414
25 HZ2 LYS 2 2HZ LYS 2 5.595 5.274 -11.168
26 HZ3 LYS 2 3HZ LYS 2 5.494 3.808 -12.007
27 H LYS 3 H LYS 3 -0.534 -0.529 -6.787
28 HA LYS 3 HA LYS 3 0.726 -1.941 -4.776
29 HB2 LYS 3 2HB LYS 3 -1.830 -1.915 -5.979
30 HB3 LYS 3 3HB LYS 3 -1.305 -3.593 -5.965
31 HG2 LYS 3 2HG LYS 3 -0.653 -2.848 -3.451
32 HG3 LYS 3 3HG LYS 3 -2.064 -1.829 -3.745
33 HD2 LYS 3 2HD LYS 3 -3.487 -3.595 -3.824
34 HD3 LYS 3 3HD LYS 3 -2.289 -4.665 -4.556
35 HE2 LYS 3 2HE LYS 3 -2.744 -5.475 -2.358
36 HE3 LYS 3 3HE LYS 3 -1.135 -4.755 -2.343
37 HZ1 LYS 3 1HZ LYS 3 -3.327 -4.120 -0.729
38 HZ2 LYS 3 2HZ LYS 3 -2.998 -2.769 -1.693
39 HZ3 LYS 3 3HZ LYS 3 -1.784 -3.427 -0.715
40 H SER 4 H SER 4 2.377 -3.301 -4.869
41 HA SER 4 HA SER 4 3.870 -4.853 -5.613
42 HB2 SER 4 2HB SER 4 1.770 -6.237 -5.254
43 HB3 SER 4 3HB SER 4 1.507 -6.134 -6.994
44 HG SER 4 HG SER 4 2.902 -7.928 -5.825
45 H GLY 5 H GLY 5 4.215 -6.314 -7.861
46 HA2 GLY 5 2HA GLY 5 3.692 -5.285 -10.342
47 HA3 GLY 5 3HA GLY 5 5.027 -4.308 -9.747
48 H VAL 6 H VAL 6 4.325 -7.774 -9.376
49 HA VAL 6 HA VAL 6 6.942 -8.648 -9.610
50 HB VAL 6 HB VAL 6 4.436 -10.132 -10.414
51 HG11 VAL 6 1HG1 VAL 6 7.282 -10.911 -10.280
52 HG12 VAL 6 2HG1 VAL 6 6.120 -12.053 -9.600
53 HG13 VAL 6 3HG1 VAL 6 5.977 -11.543 -11.283
54 HG21 VAL 6 1HG2 VAL 6 4.548 -9.243 -8.063
55 HG22 VAL 6 2HG2 VAL 6 4.378 -10.993 -8.199
56 HG23 VAL 6 3HG2 VAL 6 5.948 -10.287 -7.814
57 H ILE 7 H ILE 7 4.561 -9.353 -12.150
58 HA ILE 7 HA ILE 7 6.432 -8.393 -14.181
59 HB ILE 7 HB ILE 7 5.292 -11.190 -14.168
60 HG12 ILE 7 2HG1 ILE 7 8.174 -10.272 -14.162
61 HG13 ILE 7 3HG1 ILE 7 7.298 -10.780 -12.722
62 HG21 ILE 7 1HG2 ILE 7 5.219 -10.321 -16.405
63 HG22 ILE 7 2HG2 ILE 7 6.870 -9.718 -16.271
64 HG23 ILE 7 3HG2 ILE 7 6.565 -11.454 -16.285
65 HD11 ILE 7 1HD1 ILE 7 6.876 -12.913 -14.292
66 HD12 ILE 7 2HD1 ILE 7 8.439 -12.378 -14.909
67 HD13 ILE 7 3HD1 ILE 7 8.249 -12.757 -13.197
68 HA PRO 8 HA PRO 8 2.460 -6.874 -15.565
69 HB2 PRO 8 2HB PRO 8 3.459 -5.374 -17.595
70 HB3 PRO 8 3HB PRO 8 3.511 -4.859 -15.904
71 HG2 PRO 8 2HG PRO 8 5.660 -6.113 -17.569
72 HG3 PRO 8 3HG PRO 8 5.775 -4.761 -16.427
73 HD2 PRO 8 2HD PRO 8 6.532 -7.280 -15.784
74 HD3 PRO 8 3HD PRO 8 5.852 -6.154 -14.592
75 H DBB 9 H DBB 9 2.147 -9.218 -16.233
76 HA DBB 9 HA DBB 9 2.501 -9.594 -19.161
77 HB2 DBB 9 3HB DBB 9 0.097 -10.834 -18.643
78 HG1 DBB 9 1HG DBB 9 0.171 -9.784 -16.325
79 HG2 DBB 9 2HG DBB 9 0.053 -8.196 -17.121
80 HG3 DBB 9 3HG DBB 9 -1.270 -9.374 -17.286
81 H VAL 10 H VAL 10 1.563 -11.102 -16.074
82 HA VAL 10 HA VAL 10 2.876 -13.577 -16.997
83 HB VAL 10 HB VAL 10 4.195 -12.422 -15.256
84 HG11 VAL 10 1HG1 VAL 10 2.731 -12.959 -12.930
85 HG12 VAL 10 2HG1 VAL 10 3.134 -11.379 -13.605
86 HG13 VAL 10 3HG1 VAL 10 1.610 -12.158 -14.030
87 HG21 VAL 10 1HG2 VAL 10 4.864 -14.415 -14.514
88 HG22 VAL 10 2HG2 VAL 10 3.338 -14.697 -13.675
89 HG23 VAL 10 3HG2 VAL 10 3.491 -15.099 -15.385
90 H DAL 11 H DAL 11 0.018 -12.160 -15.967
91 HA DAL 11 HA DAL 11 -2.069 -12.977 -15.377
92 HB1 DAL 11 2HB DAL 11 -1.738 -15.322 -14.010
93 HB2 DAL 11 3HB DAL 11 -0.124 -14.602 -13.809
94 H HIS 12 H HIS 12 -3.250 -13.739 -16.989
95 HA HIS 12 HA HIS 12 -2.338 -16.094 -18.467
96 HB2 HIS 12 2HB HIS 12 -4.930 -15.832 -16.977
97 HB3 HIS 12 3HB HIS 12 -4.845 -16.821 -18.432
98 HD1 HIS 12 HD1 HIS 12 -4.532 -17.098 -14.904
99 HD2 HIS 12 HD2 HIS 12 -2.571 -18.804 -18.145
100 HE1 HIS 12 HE1 HIS 12 -3.417 -19.165 -14.004
101 H ASP 13 H ASP 13 -4.650 -13.428 -18.227
102 HA ASP 13 HA ASP 13 -5.044 -13.497 -21.128
103 HB2 ASP 13 2HB ASP 13 -6.465 -11.965 -18.942
104 HB3 ASP 13 3HB ASP 13 -6.817 -11.784 -20.658
105 H CYS 14 H CYS 14 -4.136 -11.218 -18.553
106 HA CYS 14 HA CYS 14 -2.801 -9.376 -18.562
107 HB2 CYS 14 2HB CYS 14 -1.371 -11.034 -19.978
108 HB3 CYS 14 3HB CYS 14 -1.864 -10.030 -21.338
109 H HIS 15 H HIS 15 -4.863 -8.226 -18.696
110 HA HIS 15 HA HIS 15 -4.934 -6.535 -21.083
111 HB2 HIS 15 2HB HIS 15 -7.451 -6.637 -21.048
112 HB3 HIS 15 3HB HIS 15 -6.658 -8.120 -21.569
113 HD1 HIS 15 HD1 HIS 15 -6.394 -9.961 -19.531
114 HD2 HIS 15 HD2 HIS 15 -9.304 -7.025 -19.115
115 HE1 HIS 15 HE1 HIS 15 -7.983 -10.832 -17.788
116 H MET 16 H MET 16 -3.901 -5.038 -19.629
117 HA MET 16 HA MET 16 -5.682 -3.202 -18.470
118 HB2 MET 16 2HB MET 16 -4.731 -5.323 -16.709
119 HB3 MET 16 3HB MET 16 -4.326 -3.721 -16.109
120 HG2 MET 16 2HG MET 16 -6.898 -3.329 -16.778
121 HG3 MET 16 3HG MET 16 -6.940 -5.044 -16.375
122 HE1 MET 16 1HE MET 16 -8.211 -2.531 -13.373
123 HE2 MET 16 2HE MET 16 -8.288 -2.334 -15.123
124 HE3 MET 16 3HE MET 16 -8.827 -3.841 -14.380
125 H ASN 17 H ASN 17 -2.526 -4.193 -17.184
126 HA ASN 17 HA ASN 17 -0.916 -2.508 -18.710
127 HB2 ASN 17 2HB ASN 17 -2.520 -1.004 -17.017
128 HB3 ASN 17 3HB ASN 17 -0.992 -1.115 -16.148
129 HD21 ASN 17 1HD2 ASN 17 0.110 0.672 -16.468
130 HD22 ASN 17 2HD2 ASN 17 0.326 1.479 -17.980
131 H DAL 18 H DAL 18 -1.201 -3.052 -15.194
132 HA DAL 18 HA DAL 18 1.507 -4.287 -15.236
133 HB1 DAL 18 2HB DAL 18 0.503 -6.249 -14.699
134 HB2 DAL 18 3HB DAL 18 0.117 -5.506 -13.129
135 H PHE 19 H PHE 19 -0.913 -3.641 -12.712
136 HA PHE 19 HA PHE 19 1.090 -2.425 -11.041
137 HB2 PHE 19 2HB PHE 19 0.103 -0.239 -10.868
138 HB3 PHE 19 3HB PHE 19 0.400 -0.564 -12.572
139 HD1 PHE 19 HD1 PHE 19 -1.897 0.726 -10.326
140 HD2 PHE 19 HD2 PHE 19 -1.678 -1.752 -13.779
141 HE1 PHE 19 HE1 PHE 19 -4.256 1.218 -10.824
142 HE2 PHE 19 HE2 PHE 19 -4.036 -1.264 -14.284
143 HZ PHE 19 HZ PHE 19 -5.328 0.224 -12.806
144 H GLN 20 H GLN 20 -0.628 -4.687 -10.833
145 HA GLN 20 HA GLN 20 -1.563 -4.411 -8.220
146 HB2 GLN 20 2HB GLN 20 -3.370 -3.349 -10.119
147 HB3 GLN 20 3HB GLN 20 -4.058 -4.868 -9.560
148 HG2 GLN 20 2HG GLN 20 -3.098 -3.483 -7.290
149 HG3 GLN 20 3HG GLN 20 -4.020 -2.341 -8.267
150 HE21 GLN 20 1HE2 GLN 20 -6.194 -2.971 -8.883
151 HE22 GLN 20 2HE2 GLN 20 -7.114 -3.974 -7.819
152 H PHE 21 H PHE 21 -1.285 -6.395 -7.470
153 HA PHE 21 HA PHE 21 -2.006 -8.667 -9.203
154 HB2 PHE 21 2HB PHE 21 0.319 -8.306 -7.326
155 HB3 PHE 21 3HB PHE 21 -0.229 -9.908 -7.808
156 HD1 PHE 21 HD1 PHE 21 1.061 -10.861 -9.434
157 HD2 PHE 21 HD2 PHE 21 0.394 -6.659 -9.543
158 HE1 PHE 21 HE1 PHE 21 2.407 -10.705 -11.488
159 HE2 PHE 21 HE2 PHE 21 1.739 -6.495 -11.597
160 HZ PHE 21 HZ PHE 21 2.747 -8.520 -12.573
161 H VAL 22 H VAL 22 -3.138 -10.352 -8.313
162 HA VAL 22 HA VAL 22 -4.074 -9.959 -5.544
163 HB VAL 22 HB VAL 22 -5.591 -11.332 -7.764
164 HG11 VAL 22 1HG1 VAL 22 -7.353 -10.471 -5.815
165 HG12 VAL 22 2HG1 VAL 22 -6.782 -12.124 -6.054
166 HG13 VAL 22 3HG1 VAL 22 -5.969 -11.067 -4.899
167 HG21 VAL 22 1HG2 VAL 22 -5.662 -8.496 -6.783
168 HG22 VAL 22 2HG2 VAL 22 -5.533 -9.090 -8.439
169 HG23 VAL 22 3HG2 VAL 22 -7.057 -9.242 -7.564
170 H PHE 23 H PHE 23 -2.421 -12.007 -7.675
171 HA PHE 23 HA PHE 23 -1.711 -13.868 -5.726
172 HB2 PHE 23 2HB PHE 23 -2.970 -15.860 -6.865
173 HB3 PHE 23 3HB PHE 23 -3.793 -14.886 -5.651
174 HD1 PHE 23 HD1 PHE 23 -6.001 -14.568 -6.150
175 HD2 PHE 23 HD2 PHE 23 -3.155 -14.535 -9.315
176 HE1 PHE 23 HE1 PHE 23 -7.800 -14.085 -7.757
177 HE2 PHE 23 HE2 PHE 23 -4.949 -14.050 -10.927
178 HZ PHE 23 HZ PHE 23 -7.275 -13.824 -10.149
179 H DBU 24 H DBU 24 -0.574 -12.359 -7.883
180 HB DBU 24 HB DBU 24 2.269 -14.301 -9.959
181 HG1 DBU 24 1HG DBU 24 3.170 -14.996 -7.824
182 HG2 DBU 24 2HG DBU 24 1.661 -15.918 -7.850
183 HG3 DBU 24 3HG DBU 24 1.742 -14.372 -6.987
184 H CYS 25 H CYS 25 -1.755 -12.882 -10.225
185 HA CYS 25 HA CYS 25 -0.633 -12.228 -12.846
186 HB2 CYS 25 2HB CYS 25 -3.557 -12.330 -12.114
187 HB3 CYS 25 3HB CYS 25 -2.835 -12.443 -13.716
188 H CYS 26 H CYS 26 -2.145 -10.405 -13.935
189 HA CYS 26 HA CYS 26 -1.844 -8.058 -12.189
190 HB2 CYS 26 2HB CYS 26 -0.470 -7.970 -14.194
191 HB3 CYS 26 3HB CYS 26 -1.879 -8.270 -15.206
192 H SER 27 H SER 27 -4.076 -9.808 -14.227
193 HA SER 27 HA SER 27 -6.195 -7.895 -13.493
194 HB2 SER 27 2HB SER 27 -7.369 -9.100 -15.527
195 HB3 SER 27 3HB SER 27 -6.214 -7.797 -15.805
196 HG SER 27 HG SER 27 -6.080 -10.371 -16.572
Start of MODEL 11
1 H1 LYS 1 H LYS 1 8.778 -1.707 2.776
2 HA LYS 1 HA LYS 1 7.005 -3.227 0.986
3 HB2 LYS 1 2HB LYS 1 6.500 -2.923 3.513
4 HB3 LYS 1 3HB LYS 1 6.051 -1.282 3.068
5 HG2 LYS 1 2HG LYS 1 4.113 -1.930 2.167
6 HG3 LYS 1 3HG LYS 1 4.835 -3.337 1.383
7 HD2 LYS 1 2HD LYS 1 4.651 -3.501 4.313
8 HD3 LYS 1 3HD LYS 1 3.101 -3.458 3.469
9 HE2 LYS 1 2HE LYS 1 3.639 -5.388 2.202
10 HE3 LYS 1 3HE LYS 1 5.330 -5.327 2.698
11 HZ1 LYS 1 1HZ LYS 1 3.007 -6.334 4.140
12 HZ2 LYS 1 2HZ LYS 1 4.184 -5.543 5.062
13 HZ3 LYS 1 3HZ LYS 1 4.604 -6.894 4.134
14 H LYS 2 H LYS 2 6.572 -2.310 -0.898
15 HA LYS 2 HA LYS 2 6.398 0.626 -1.035
16 HB2 LYS 2 2HB LYS 2 7.875 -1.271 -2.825
17 HB3 LYS 2 3HB LYS 2 7.241 0.233 -3.479
18 HG2 LYS 2 2HG LYS 2 8.707 1.529 -2.300
19 HG3 LYS 2 3HG LYS 2 8.876 0.348 -0.999
20 HD2 LYS 2 2HD LYS 2 9.896 -1.027 -3.116
21 HD3 LYS 2 3HD LYS 2 10.375 0.626 -3.509
22 HE2 LYS 2 2HE LYS 2 11.123 0.676 -0.998
23 HE3 LYS 2 3HE LYS 2 11.141 -1.077 -1.180
24 HZ1 LYS 2 1HZ LYS 2 13.038 -0.971 -2.297
25 HZ2 LYS 2 2HZ LYS 2 13.137 0.668 -1.891
26 HZ3 LYS 2 3HZ LYS 2 12.442 0.201 -3.362
27 H LYS 3 H LYS 3 4.578 1.383 -1.909
28 HA LYS 3 HA LYS 3 2.382 -0.202 -2.481
29 HB2 LYS 3 2HB LYS 3 3.093 2.628 -3.185
30 HB3 LYS 3 3HB LYS 3 1.598 1.915 -3.779
31 HG2 LYS 3 2HG LYS 3 1.569 1.298 -1.095
32 HG3 LYS 3 3HG LYS 3 2.266 2.919 -1.139
33 HD2 LYS 3 2HD LYS 3 -0.109 3.141 -0.949
34 HD3 LYS 3 3HD LYS 3 0.351 3.618 -2.585
35 HE2 LYS 3 2HE LYS 3 -0.121 0.883 -2.755
36 HE3 LYS 3 3HE LYS 3 -1.396 1.486 -1.697
37 HZ1 LYS 3 1HZ LYS 3 -1.372 3.316 -3.670
38 HZ2 LYS 3 2HZ LYS 3 -2.420 1.990 -3.601
39 HZ3 LYS 3 3HZ LYS 3 -1.003 1.901 -4.522
40 H SER 4 H SER 4 1.700 -1.324 -4.197
41 HA SER 4 HA SER 4 1.638 -2.277 -6.262
42 HB2 SER 4 2HB SER 4 2.941 0.251 -7.282
43 HB3 SER 4 3HB SER 4 1.924 -0.874 -8.182
44 HG SER 4 HG SER 4 0.311 0.306 -7.570
45 H GLY 5 H GLY 5 3.049 -2.998 -8.135
46 HA2 GLY 5 2HA GLY 5 5.655 -2.855 -8.567
47 HA3 GLY 5 3HA GLY 5 5.658 -3.720 -7.037
48 H VAL 6 H VAL 6 3.727 -3.919 -10.031
49 HA VAL 6 HA VAL 6 4.374 -6.794 -10.122
50 HB VAL 6 HB VAL 6 1.890 -5.980 -11.462
51 HG11 VAL 6 1HG1 VAL 6 3.034 -8.275 -10.053
52 HG12 VAL 6 2HG1 VAL 6 1.314 -8.025 -9.746
53 HG13 VAL 6 3HG1 VAL 6 1.896 -8.220 -11.399
54 HG21 VAL 6 1HG2 VAL 6 2.220 -5.690 -8.490
55 HG22 VAL 6 2HG2 VAL 6 1.524 -4.544 -9.636
56 HG23 VAL 6 3HG2 VAL 6 0.655 -6.024 -9.231
57 H ILE 7 H ILE 7 3.354 -7.471 -12.534
58 HA ILE 7 HA ILE 7 4.471 -5.627 -14.511
59 HB ILE 7 HB ILE 7 5.275 -8.535 -14.356
60 HG12 ILE 7 2HG1 ILE 7 7.599 -7.239 -14.199
61 HG13 ILE 7 3HG1 ILE 7 6.576 -6.000 -13.479
62 HG21 ILE 7 1HG2 ILE 7 5.023 -7.642 -16.647
63 HG22 ILE 7 2HG2 ILE 7 6.192 -6.381 -16.255
64 HG23 ILE 7 3HG2 ILE 7 6.688 -8.074 -16.256
65 HD11 ILE 7 1HD1 ILE 7 6.032 -8.604 -12.360
66 HD12 ILE 7 2HD1 ILE 7 7.730 -8.157 -12.193
67 HD13 ILE 7 3HD1 ILE 7 6.472 -7.096 -11.559
68 HA PRO 8 HA PRO 8 0.792 -6.866 -16.632
69 HB2 PRO 8 2HB PRO 8 1.366 -5.710 -19.021
70 HB3 PRO 8 3HB PRO 8 0.849 -4.785 -17.605
71 HG2 PRO 8 2HG PRO 8 3.609 -5.219 -18.680
72 HG3 PRO 8 3HG PRO 8 2.870 -3.730 -18.063
73 HD2 PRO 8 2HD PRO 8 4.555 -5.243 -16.579
74 HD3 PRO 8 3HD PRO 8 3.219 -4.319 -15.862
75 H DBB 9 H DBB 9 0.759 -9.028 -16.997
76 HA DBB 9 HA DBB 9 2.367 -10.068 -19.280
77 HB2 DBB 9 3HB DBB 9 0.187 -10.263 -20.073
78 HG1 DBB 9 1HG DBB 9 -0.349 -12.551 -20.047
79 HG2 DBB 9 2HG DBB 9 1.365 -12.565 -19.569
80 HG3 DBB 9 3HG DBB 9 0.096 -12.735 -18.333
81 H VAL 10 H VAL 10 1.040 -10.646 -16.070
82 HA VAL 10 HA VAL 10 2.941 -12.878 -15.770
83 HB VAL 10 HB VAL 10 3.054 -12.370 -13.399
84 HG11 VAL 10 1HG1 VAL 10 3.617 -10.181 -15.353
85 HG12 VAL 10 2HG1 VAL 10 3.930 -9.928 -13.635
86 HG13 VAL 10 3HG1 VAL 10 4.740 -11.237 -14.497
87 HG21 VAL 10 1HG2 VAL 10 1.980 -10.029 -12.804
88 HG22 VAL 10 2HG2 VAL 10 0.855 -10.488 -14.082
89 HG23 VAL 10 3HG2 VAL 10 1.058 -11.527 -12.672
90 H DAL 11 H DAL 11 -0.347 -11.834 -15.409
91 HA DAL 11 HA DAL 11 -2.313 -12.968 -14.938
92 HB1 DAL 11 2HB DAL 11 -2.113 -14.692 -13.053
93 HB2 DAL 11 3HB DAL 11 -0.375 -14.314 -13.014
94 H HIS 12 H HIS 12 -3.237 -15.285 -14.878
95 HA HIS 12 HA HIS 12 -1.666 -17.119 -16.535
96 HB2 HIS 12 2HB HIS 12 -2.942 -17.768 -14.346
97 HB3 HIS 12 3HB HIS 12 -4.358 -17.787 -15.393
98 HD1 HIS 12 HD1 HIS 12 -1.834 -19.958 -14.140
99 HD2 HIS 12 HD2 HIS 12 -3.809 -19.571 -17.775
100 HE1 HIS 12 HE1 HIS 12 -1.528 -22.163 -15.310
101 H ASP 13 H ASP 13 -4.361 -14.980 -16.654
102 HA ASP 13 HA ASP 13 -4.981 -15.930 -19.375
103 HB2 ASP 13 2HB ASP 13 -6.772 -15.067 -17.148
104 HB3 ASP 13 3HB ASP 13 -7.255 -14.688 -18.799
105 H CYS 14 H CYS 14 -3.554 -13.526 -17.662
106 HA CYS 14 HA CYS 14 -4.491 -11.123 -18.635
107 HB2 CYS 14 2HB CYS 14 -2.817 -10.922 -17.032
108 HB3 CYS 14 3HB CYS 14 -1.765 -12.081 -17.839
109 H HIS 15 H HIS 15 -4.493 -10.108 -20.544
110 HA HIS 15 HA HIS 15 -2.704 -11.034 -22.669
111 HB2 HIS 15 2HB HIS 15 -4.981 -12.164 -22.830
112 HB3 HIS 15 3HB HIS 15 -5.640 -10.570 -23.187
113 HD1 HIS 15 HD1 HIS 15 -2.729 -12.627 -24.548
114 HD2 HIS 15 HD2 HIS 15 -5.878 -10.249 -25.848
115 HE1 HIS 15 HE1 HIS 15 -2.577 -12.624 -27.058
116 H MET 16 H MET 16 -1.804 -8.925 -21.770
117 HA MET 16 HA MET 16 -1.312 -6.728 -22.085
118 HB2 MET 16 2HB MET 16 -3.042 -6.897 -24.552
119 HB3 MET 16 3HB MET 16 -1.732 -5.766 -24.242
120 HG2 MET 16 2HG MET 16 -0.330 -7.992 -24.044
121 HG3 MET 16 3HG MET 16 -1.631 -8.616 -25.055
122 HE1 MET 16 1HE MET 16 1.522 -5.487 -26.142
123 HE2 MET 16 2HE MET 16 0.170 -4.919 -25.162
124 HE3 MET 16 3HE MET 16 1.213 -6.209 -24.562
125 H ASN 17 H ASN 17 -2.322 -5.770 -20.374
126 HA ASN 17 HA ASN 17 -4.630 -4.162 -20.964
127 HB2 ASN 17 2HB ASN 17 -4.812 -6.508 -19.094
128 HB3 ASN 17 3HB ASN 17 -5.814 -5.082 -18.840
129 HD21 ASN 17 1HD2 ASN 17 -7.363 -4.526 -20.405
130 HD22 ASN 17 2HD2 ASN 17 -7.953 -5.691 -21.536
131 H DAL 18 H DAL 18 -3.436 -5.429 -17.870
132 HA DAL 18 HA DAL 18 -1.741 -3.232 -17.221
133 HB1 DAL 18 2HB DAL 18 -1.462 -4.296 -15.171
134 HB2 DAL 18 3HB DAL 18 -3.172 -4.778 -15.071
135 H PHE 19 H PHE 19 -4.870 -4.108 -15.740
136 HA PHE 19 HA PHE 19 -5.515 -1.239 -15.626
137 HB2 PHE 19 2HB PHE 19 -7.235 -3.697 -15.821
138 HB3 PHE 19 3HB PHE 19 -7.897 -2.178 -15.228
139 HD1 PHE 19 HD1 PHE 19 -5.697 -3.253 -18.049
140 HD2 PHE 19 HD2 PHE 19 -9.073 -0.991 -16.785
141 HE1 PHE 19 HE1 PHE 19 -6.067 -2.516 -20.367
142 HE2 PHE 19 HE2 PHE 19 -9.449 -0.251 -19.101
143 HZ PHE 19 HZ PHE 19 -7.945 -1.014 -20.896
144 H GLN 20 H GLN 20 -5.328 -4.207 -13.764
145 HA GLN 20 HA GLN 20 -4.757 -2.932 -11.348
146 HB2 GLN 20 2HB GLN 20 -7.581 -3.087 -11.974
147 HB3 GLN 20 3HB GLN 20 -7.209 -3.975 -10.503
148 HG2 GLN 20 2HG GLN 20 -5.838 -1.495 -10.404
149 HG3 GLN 20 3HG GLN 20 -7.512 -1.184 -10.860
150 HE21 GLN 20 1HE2 GLN 20 -5.497 -1.408 -8.316
151 HE22 GLN 20 2HE2 GLN 20 -6.618 -1.841 -7.075
152 H PHE 21 H PHE 21 -3.872 -4.376 -9.990
153 HA PHE 21 HA PHE 21 -4.133 -7.209 -10.692
154 HB2 PHE 21 2HB PHE 21 -2.100 -5.955 -8.843
155 HB3 PHE 21 3HB PHE 21 -2.043 -7.558 -9.568
156 HD1 PHE 21 HD1 PHE 21 -1.185 -7.893 -11.746
157 HD2 PHE 21 HD2 PHE 21 -1.776 -3.948 -10.261
158 HE1 PHE 21 HE1 PHE 21 0.098 -6.992 -13.642
159 HE2 PHE 21 HE2 PHE 21 -0.495 -3.040 -12.155
160 HZ PHE 21 HZ PHE 21 0.443 -4.562 -13.849
161 H VAL 22 H VAL 22 -5.576 -8.323 -9.565
162 HA VAL 22 HA VAL 22 -6.477 -7.448 -6.969
163 HB VAL 22 HB VAL 22 -7.187 -10.002 -8.416
164 HG11 VAL 22 1HG1 VAL 22 -8.427 -8.500 -6.123
165 HG12 VAL 22 2HG1 VAL 22 -9.295 -9.729 -7.045
166 HG13 VAL 22 3HG1 VAL 22 -7.839 -10.162 -6.149
167 HG21 VAL 22 1HG2 VAL 22 -8.158 -8.696 -9.942
168 HG22 VAL 22 2HG2 VAL 22 -9.309 -8.249 -8.682
169 HG23 VAL 22 3HG2 VAL 22 -7.893 -7.241 -8.980
170 H PHE 23 H PHE 23 -4.051 -9.522 -8.157
171 HA PHE 23 HA PHE 23 -3.040 -10.115 -5.600
172 HB2 PHE 23 2HB PHE 23 -5.063 -11.655 -5.695
173 HB3 PHE 23 3HB PHE 23 -4.217 -12.536 -6.962
174 HD1 PHE 23 HD1 PHE 23 -2.943 -14.346 -6.356
175 HD2 PHE 23 HD2 PHE 23 -3.635 -11.261 -3.505
176 HE1 PHE 23 HE1 PHE 23 -1.758 -15.662 -4.648
177 HE2 PHE 23 HE2 PHE 23 -2.450 -12.573 -1.794
178 HZ PHE 23 HZ PHE 23 -1.509 -14.776 -2.364
179 H DBU 24 H DBU 24 -2.194 -9.183 -8.212
180 HB DBU 24 HB DBU 24 1.444 -10.495 -9.313
181 HG1 DBU 24 1HG DBU 24 0.361 -10.194 -6.425
182 HG2 DBU 24 2HG DBU 24 1.838 -9.446 -7.047
183 HG3 DBU 24 3HG DBU 24 1.713 -11.211 -6.939
184 H CYS 25 H CYS 25 -2.519 -11.386 -10.142
185 HA CYS 25 HA CYS 25 -1.383 -11.403 -12.767
186 HB2 CYS 25 2HB CYS 25 -4.255 -11.944 -11.994
187 HB3 CYS 25 3HB CYS 25 -3.430 -12.472 -13.457
188 H CYS 26 H CYS 26 -2.605 -10.530 -14.668
189 HA CYS 26 HA CYS 26 -3.414 -7.767 -14.094
190 HB2 CYS 26 2HB CYS 26 -1.666 -8.883 -16.004
191 HB3 CYS 26 3HB CYS 26 -3.069 -8.311 -16.901
192 H SER 27 H SER 27 -5.050 -6.849 -15.668
193 HA SER 27 HA SER 27 -7.498 -8.108 -15.368
194 HB2 SER 27 2HB SER 27 -6.988 -5.663 -15.997
195 HB3 SER 27 3HB SER 27 -6.931 -6.239 -17.663
196 HG SER 27 HG SER 27 -9.103 -6.108 -15.891
Start of MODEL 12
1 H1 LYS 1 H LYS 1 7.181 0.519 -5.022
2 HA LYS 1 HA LYS 1 5.913 -1.363 -4.843
3 HB2 LYS 1 2HB LYS 1 6.659 -1.180 -1.919
4 HB3 LYS 1 3HB LYS 1 5.854 -2.554 -2.666
5 HG2 LYS 1 2HG LYS 1 8.211 -1.940 -4.151
6 HG3 LYS 1 3HG LYS 1 8.617 -2.062 -2.438
7 HD2 LYS 1 2HD LYS 1 7.202 -4.226 -2.500
8 HD3 LYS 1 3HD LYS 1 7.413 -4.126 -4.249
9 HE2 LYS 1 2HE LYS 1 9.775 -3.924 -2.422
10 HE3 LYS 1 3HE LYS 1 9.099 -5.500 -2.831
11 HZ1 LYS 1 1HZ LYS 1 10.362 -3.519 -4.616
12 HZ2 LYS 1 2HZ LYS 1 9.314 -4.694 -5.234
13 HZ3 LYS 1 3HZ LYS 1 10.726 -5.160 -4.427
14 H LYS 2 H LYS 2 4.470 0.821 -5.121
15 HA LYS 2 HA LYS 2 2.161 0.340 -3.383
16 HB2 LYS 2 2HB LYS 2 3.483 2.987 -3.910
17 HB3 LYS 2 3HB LYS 2 1.774 2.895 -3.509
18 HG2 LYS 2 2HG LYS 2 3.420 1.360 -1.678
19 HG3 LYS 2 3HG LYS 2 3.868 3.066 -1.727
20 HD2 LYS 2 2HD LYS 2 0.990 2.278 -1.509
21 HD3 LYS 2 3HD LYS 2 2.021 2.260 -0.077
22 HE2 LYS 2 2HE LYS 2 2.587 4.687 -1.285
23 HE3 LYS 2 3HE LYS 2 0.847 4.502 -1.498
24 HZ1 LYS 2 1HZ LYS 2 0.481 4.497 0.755
25 HZ2 LYS 2 2HZ LYS 2 1.770 5.586 0.645
26 HZ3 LYS 2 3HZ LYS 2 2.050 3.992 1.137
27 H LYS 3 H LYS 3 2.977 2.611 -6.006
28 HA LYS 3 HA LYS 3 0.525 2.579 -7.276
29 HB2 LYS 3 2HB LYS 3 3.157 3.548 -7.843
30 HB3 LYS 3 3HB LYS 3 2.508 2.799 -9.296
31 HG2 LYS 3 2HG LYS 3 0.382 4.252 -8.574
32 HG3 LYS 3 3HG LYS 3 1.663 5.246 -7.879
33 HD2 LYS 3 2HD LYS 3 2.532 5.792 -9.917
34 HD3 LYS 3 3HD LYS 3 2.037 4.268 -10.657
35 HE2 LYS 3 2HE LYS 3 -0.147 6.052 -9.797
36 HE3 LYS 3 3HE LYS 3 0.840 6.640 -11.134
37 HZ1 LYS 3 1HZ LYS 3 -1.241 5.087 -11.510
38 HZ2 LYS 3 2HZ LYS 3 -0.089 3.874 -11.263
39 HZ3 LYS 3 3HZ LYS 3 0.125 5.002 -12.506
40 H SER 4 H SER 4 3.300 0.439 -7.773
41 HA SER 4 HA SER 4 1.668 -1.199 -9.587
42 HB2 SER 4 2HB SER 4 4.661 -1.161 -9.137
43 HB3 SER 4 3HB SER 4 3.825 -2.253 -10.241
44 HG SER 4 HG SER 4 3.854 -0.709 -11.648
45 H GLY 5 H GLY 5 0.902 -3.101 -8.931
46 HA2 GLY 5 2HA GLY 5 1.303 -3.992 -6.252
47 HA3 GLY 5 3HA GLY 5 0.395 -4.833 -7.501
48 H VAL 6 H VAL 6 2.185 -5.438 -9.390
49 HA VAL 6 HA VAL 6 4.545 -6.615 -8.167
50 HB VAL 6 HB VAL 6 2.403 -8.312 -9.453
51 HG11 VAL 6 1HG1 VAL 6 4.216 -10.098 -8.620
52 HG12 VAL 6 2HG1 VAL 6 4.208 -9.425 -10.251
53 HG13 VAL 6 3HG1 VAL 6 5.293 -8.764 -9.028
54 HG21 VAL 6 1HG2 VAL 6 2.430 -9.500 -7.297
55 HG22 VAL 6 2HG2 VAL 6 3.585 -8.321 -6.677
56 HG23 VAL 6 3HG2 VAL 6 1.957 -7.810 -7.122
57 H ILE 7 H ILE 7 2.856 -7.575 -11.120
58 HA ILE 7 HA ILE 7 4.757 -6.078 -12.752
59 HB ILE 7 HB ILE 7 4.434 -9.075 -12.926
60 HG12 ILE 7 2HG1 ILE 7 6.893 -7.370 -12.475
61 HG13 ILE 7 3HG1 ILE 7 6.019 -8.224 -11.208
62 HG21 ILE 7 1HG2 ILE 7 4.798 -8.869 -15.109
63 HG22 ILE 7 2HG2 ILE 7 5.072 -7.133 -14.961
64 HG23 ILE 7 3HG2 ILE 7 6.405 -8.261 -14.714
65 HD11 ILE 7 1HD1 ILE 7 6.486 -10.340 -12.517
66 HD12 ILE 7 2HD1 ILE 7 7.619 -9.375 -13.465
67 HD13 ILE 7 3HD1 ILE 7 7.862 -9.568 -11.729
68 HA PRO 8 HA PRO 8 0.956 -5.511 -14.984
69 HB2 PRO 8 2HB PRO 8 2.015 -4.033 -17.001
70 HB3 PRO 8 3HB PRO 8 1.701 -3.376 -15.390
71 HG2 PRO 8 2HG PRO 8 4.273 -4.356 -16.568
72 HG3 PRO 8 3HG PRO 8 3.972 -2.914 -15.581
73 HD2 PRO 8 2HD PRO 8 5.020 -5.189 -14.554
74 HD3 PRO 8 3HD PRO 8 3.975 -4.108 -13.610
75 H DBB 9 H DBB 9 1.284 -7.960 -15.387
76 HA DBB 9 HA DBB 9 2.018 -8.449 -18.230
77 HB2 DBB 9 3HB DBB 9 -0.019 -10.261 -17.669
78 HG1 DBB 9 1HG DBB 9 -1.842 -9.005 -16.676
79 HG2 DBB 9 2HG DBB 9 -0.456 -8.916 -15.563
80 HG3 DBB 9 3HG DBB 9 -0.850 -7.528 -16.605
81 H VAL 10 H VAL 10 0.994 -10.168 -15.269
82 HA VAL 10 HA VAL 10 3.195 -12.071 -15.743
83 HB VAL 10 HB VAL 10 3.750 -10.664 -13.838
84 HG11 VAL 10 1HG1 VAL 10 2.084 -9.819 -12.627
85 HG12 VAL 10 2HG1 VAL 10 0.947 -11.030 -13.223
86 HG13 VAL 10 3HG1 VAL 10 1.972 -11.389 -11.833
87 HG21 VAL 10 1HG2 VAL 10 4.599 -12.386 -12.681
88 HG22 VAL 10 2HG2 VAL 10 3.008 -13.072 -12.349
89 HG23 VAL 10 3HG2 VAL 10 3.802 -13.395 -13.890
90 H DAL 11 H DAL 11 -0.129 -11.604 -15.248
91 HA DAL 11 HA DAL 11 -1.937 -13.041 -15.050
92 HB1 DAL 11 2HB DAL 11 -1.256 -15.241 -13.668
93 HB2 DAL 11 3HB DAL 11 0.160 -14.242 -13.262
94 H HIS 12 H HIS 12 -2.609 -14.072 -16.795
95 HA HIS 12 HA HIS 12 -0.784 -15.876 -18.200
96 HB2 HIS 12 2HB HIS 12 -2.908 -16.801 -16.596
97 HB3 HIS 12 3HB HIS 12 -3.445 -16.979 -18.264
98 HD1 HIS 12 HD1 HIS 12 -0.865 -17.838 -19.627
99 HD2 HIS 12 HD2 HIS 12 -2.114 -19.311 -15.948
100 HE1 HIS 12 HE1 HIS 12 0.290 -20.057 -19.363
101 H ASP 13 H ASP 13 -0.706 -15.307 -20.261
102 HA ASP 13 HA ASP 13 -1.272 -14.508 -22.315
103 HB2 ASP 13 2HB ASP 13 -3.184 -16.203 -21.888
104 HB3 ASP 13 3HB ASP 13 -4.179 -14.780 -21.594
105 H CYS 14 H CYS 14 -0.616 -12.578 -20.602
106 HA CYS 14 HA CYS 14 -2.387 -10.592 -19.924
107 HB2 CYS 14 2HB CYS 14 0.209 -10.786 -19.610
108 HB3 CYS 14 3HB CYS 14 0.268 -9.841 -21.094
109 H HIS 15 H HIS 15 -3.108 -8.676 -20.915
110 HA HIS 15 HA HIS 15 -2.794 -8.473 -23.817
111 HB2 HIS 15 2HB HIS 15 -4.918 -9.768 -23.149
112 HB3 HIS 15 3HB HIS 15 -5.523 -8.218 -22.571
113 HD1 HIS 15 HD1 HIS 15 -6.482 -6.651 -24.282
114 HD2 HIS 15 HD2 HIS 15 -4.433 -9.832 -25.998
115 HE1 HIS 15 HE1 HIS 15 -6.955 -6.504 -26.747
116 H MET 16 H MET 16 -1.498 -6.868 -22.057
117 HA MET 16 HA MET 16 -1.059 -4.674 -21.649
118 HB2 MET 16 2HB MET 16 -2.702 -4.670 -23.980
119 HB3 MET 16 3HB MET 16 -3.195 -3.323 -22.963
120 HG2 MET 16 2HG MET 16 -1.095 -2.322 -23.060
121 HG3 MET 16 3HG MET 16 -0.312 -3.805 -23.602
122 HE1 MET 16 1HE MET 16 -1.224 -5.019 -25.734
123 HE2 MET 16 2HE MET 16 -1.287 -4.141 -27.262
124 HE3 MET 16 3HE MET 16 0.207 -4.171 -26.324
125 H ASN 17 H ASN 17 -1.472 -4.508 -19.503
126 HA ASN 17 HA ASN 17 -3.574 -2.914 -18.597
127 HB2 ASN 17 2HB ASN 17 -4.460 -5.509 -19.053
128 HB3 ASN 17 3HB ASN 17 -4.162 -5.464 -17.318
129 HD21 ASN 17 1HD2 ASN 17 -6.156 -5.366 -16.505
130 HD22 ASN 17 2HD2 ASN 17 -7.316 -4.139 -16.870
131 H DAL 18 H DAL 18 -3.890 -3.592 -16.006
132 HA DAL 18 HA DAL 18 -1.141 -3.351 -14.946
133 HB1 DAL 18 2HB DAL 18 -1.341 -5.604 -14.430
134 HB2 DAL 18 3HB DAL 18 -2.153 -4.907 -13.008
135 H PHE 19 H PHE 19 -4.347 -3.873 -13.494
136 HA PHE 19 HA PHE 19 -4.253 -1.126 -12.452
137 HB2 PHE 19 2HB PHE 19 -6.619 -1.171 -12.298
138 HB3 PHE 19 3HB PHE 19 -6.233 -1.900 -13.854
139 HD1 PHE 19 HD1 PHE 19 -7.935 -2.300 -10.756
140 HD2 PHE 19 HD2 PHE 19 -6.167 -4.450 -13.976
141 HE1 PHE 19 HE1 PHE 19 -9.240 -4.293 -10.137
142 HE2 PHE 19 HE2 PHE 19 -7.469 -6.445 -13.364
143 HZ PHE 19 HZ PHE 19 -9.009 -6.369 -11.443
144 H GLN 20 H GLN 20 -4.554 -4.496 -11.548
145 HA GLN 20 HA GLN 20 -3.493 -4.147 -8.991
146 HB2 GLN 20 2HB GLN 20 -6.121 -3.274 -9.064
147 HB3 GLN 20 3HB GLN 20 -6.252 -4.908 -8.429
148 HG2 GLN 20 2HG GLN 20 -5.485 -4.288 -6.446
149 HG3 GLN 20 3HG GLN 20 -4.097 -3.470 -7.163
150 HE21 GLN 20 1HE2 GLN 20 -6.566 -2.980 -5.178
151 HE22 GLN 20 2HE2 GLN 20 -6.897 -1.310 -5.471
152 H PHE 21 H PHE 21 -3.600 -6.130 -7.674
153 HA PHE 21 HA PHE 21 -4.113 -8.494 -9.358
154 HB2 PHE 21 2HB PHE 21 -2.010 -8.166 -7.208
155 HB3 PHE 21 3HB PHE 21 -2.274 -9.610 -8.181
156 HD1 PHE 21 HD1 PHE 21 -1.381 -6.015 -8.435
157 HD2 PHE 21 HD2 PHE 21 -1.170 -9.880 -10.206
158 HE1 PHE 21 HE1 PHE 21 0.178 -5.150 -10.131
159 HE2 PHE 21 HE2 PHE 21 0.390 -9.021 -11.903
160 HZ PHE 21 HZ PHE 21 1.067 -6.654 -11.867
161 H VAL 22 H VAL 22 -4.750 -10.445 -8.250
162 HA VAL 22 HA VAL 22 -6.118 -9.914 -5.692
163 HB VAL 22 HB VAL 22 -7.842 -11.519 -6.345
164 HG11 VAL 22 1HG1 VAL 22 -7.350 -9.267 -8.282
165 HG12 VAL 22 2HG1 VAL 22 -8.854 -10.188 -8.220
166 HG13 VAL 22 3HG1 VAL 22 -8.339 -9.242 -6.823
167 HG21 VAL 22 1HG2 VAL 22 -6.748 -13.029 -7.772
168 HG22 VAL 22 2HG2 VAL 22 -7.897 -12.184 -8.809
169 HG23 VAL 22 3HG2 VAL 22 -6.190 -11.745 -8.844
170 H PHE 23 H PHE 23 -3.930 -11.888 -7.427
171 HA PHE 23 HA PHE 23 -3.071 -13.274 -5.135
172 HB2 PHE 23 2HB PHE 23 -5.282 -14.442 -5.609
173 HB3 PHE 23 3HB PHE 23 -4.535 -15.060 -7.078
174 HD1 PHE 23 HD1 PHE 23 -3.442 -14.706 -3.525
175 HD2 PHE 23 HD2 PHE 23 -3.952 -17.263 -6.889
176 HE1 PHE 23 HE1 PHE 23 -2.484 -16.576 -2.244
177 HE2 PHE 23 HE2 PHE 23 -2.996 -19.137 -5.613
178 HZ PHE 23 HZ PHE 23 -2.261 -18.795 -3.288
179 H DBU 24 H DBU 24 -2.044 -11.807 -7.413
180 HB DBU 24 HB DBU 24 1.371 -13.380 -8.903
181 HG1 DBU 24 1HG DBU 24 2.034 -13.671 -6.552
182 HG2 DBU 24 2HG DBU 24 0.910 -15.003 -6.851
183 HG3 DBU 24 3HG DBU 24 0.348 -13.531 -6.038
184 H CYS 25 H CYS 25 -2.620 -13.067 -9.933
185 HA CYS 25 HA CYS 25 -1.279 -12.047 -12.313
186 HB2 CYS 25 2HB CYS 25 -4.103 -13.097 -12.113
187 HB3 CYS 25 3HB CYS 25 -3.113 -12.936 -13.560
188 H CYS 26 H CYS 26 -2.655 -10.613 -13.768
189 HA CYS 26 HA CYS 26 -3.508 -8.325 -12.185
190 HB2 CYS 26 2HB CYS 26 -1.925 -8.081 -14.113
191 HB3 CYS 26 3HB CYS 26 -3.239 -8.549 -15.188
192 H SER 27 H SER 27 -5.387 -9.933 -11.612
193 HA SER 27 HA SER 27 -7.496 -10.064 -13.576
194 HB2 SER 27 2HB SER 27 -6.875 -11.404 -11.152
195 HB3 SER 27 3HB SER 27 -8.446 -10.634 -10.932
196 HG SER 27 HG SER 27 -8.952 -12.508 -11.884
Start of MODEL 13
1 H1 LYS 1 H LYS 1 -3.045 -1.278 -0.689
2 HA LYS 1 HA LYS 1 -3.648 -1.875 -3.082
3 HB2 LYS 1 2HB LYS 1 -5.026 0.612 -2.658
4 HB3 LYS 1 3HB LYS 1 -3.913 0.781 -4.009
5 HG2 LYS 1 2HG LYS 1 -5.031 -1.572 -4.643
6 HG3 LYS 1 3HG LYS 1 -6.368 -0.831 -3.761
7 HD2 LYS 1 2HD LYS 1 -6.659 -0.232 -6.033
8 HD3 LYS 1 3HD LYS 1 -6.037 1.206 -5.220
9 HE2 LYS 1 2HE LYS 1 -3.875 0.895 -6.119
10 HE3 LYS 1 3HE LYS 1 -4.245 -0.748 -6.640
11 HZ1 LYS 1 1HZ LYS 1 -5.149 1.803 -7.821
12 HZ2 LYS 1 2HZ LYS 1 -5.984 0.362 -8.117
13 HZ3 LYS 1 3HZ LYS 1 -4.361 0.509 -8.574
14 H LYS 2 H LYS 2 -1.682 -2.251 -3.839
15 HA LYS 2 HA LYS 2 0.363 -0.148 -3.575
16 HB2 LYS 2 2HB LYS 2 0.461 -3.116 -3.393
17 HB3 LYS 2 3HB LYS 2 1.852 -2.305 -4.100
18 HG2 LYS 2 2HG LYS 2 2.190 -1.018 -2.103
19 HG3 LYS 2 3HG LYS 2 0.697 -1.645 -1.399
20 HD2 LYS 2 2HD LYS 2 2.390 -3.817 -2.217
21 HD3 LYS 2 3HD LYS 2 3.287 -2.711 -1.173
22 HE2 LYS 2 2HE LYS 2 1.775 -2.981 0.597
23 HE3 LYS 2 3HE LYS 2 0.536 -3.672 -0.450
24 HZ1 LYS 2 1HZ LYS 2 1.423 -5.468 0.724
25 HZ2 LYS 2 2HZ LYS 2 3.019 -4.944 0.531
26 HZ3 LYS 2 3HZ LYS 2 2.167 -5.562 -0.793
27 H LYS 3 H LYS 3 1.413 0.591 -5.344
28 HA LYS 3 HA LYS 3 0.298 0.426 -7.865
29 HB2 LYS 3 2HB LYS 3 2.877 1.361 -6.763
30 HB3 LYS 3 3HB LYS 3 2.868 1.013 -8.487
31 HG2 LYS 3 2HG LYS 3 1.119 2.593 -8.868
32 HG3 LYS 3 3HG LYS 3 0.888 2.830 -7.134
33 HD2 LYS 3 2HD LYS 3 3.531 3.388 -8.440
34 HD3 LYS 3 3HD LYS 3 2.238 4.591 -8.442
35 HE2 LYS 3 2HE LYS 3 2.484 5.040 -6.248
36 HE3 LYS 3 3HE LYS 3 2.786 3.354 -5.833
37 HZ1 LYS 3 1HZ LYS 3 5.026 3.865 -7.088
38 HZ2 LYS 3 2HZ LYS 3 4.832 4.219 -5.445
39 HZ3 LYS 3 3HZ LYS 3 4.677 5.447 -6.599
40 H SER 4 H SER 4 3.056 -1.399 -6.568
41 HA SER 4 HA SER 4 4.066 -3.323 -7.240
42 HB2 SER 4 2HB SER 4 1.647 -4.041 -8.865
43 HB3 SER 4 3HB SER 4 2.685 -5.084 -7.893
44 HG SER 4 HG SER 4 0.831 -4.812 -6.737
45 H GLY 5 H GLY 5 4.177 -4.791 -9.487
46 HA2 GLY 5 2HA GLY 5 4.049 -3.955 -11.991
47 HA3 GLY 5 3HA GLY 5 5.304 -2.881 -11.390
48 H VAL 6 H VAL 6 4.538 -6.358 -11.128
49 HA VAL 6 HA VAL 6 7.358 -7.012 -11.241
50 HB VAL 6 HB VAL 6 4.931 -8.805 -11.072
51 HG11 VAL 6 1HG1 VAL 6 6.367 -10.384 -11.759
52 HG12 VAL 6 2HG1 VAL 6 7.778 -9.366 -11.467
53 HG13 VAL 6 3HG1 VAL 6 7.040 -10.257 -10.135
54 HG21 VAL 6 1HG2 VAL 6 5.486 -7.237 -9.132
55 HG22 VAL 6 2HG2 VAL 6 5.314 -8.953 -8.762
56 HG23 VAL 6 3HG2 VAL 6 6.920 -8.236 -8.894
57 H ILE 7 H ILE 7 4.716 -8.666 -12.926
58 HA ILE 7 HA ILE 7 6.015 -8.159 -15.496
59 HB ILE 7 HB ILE 7 5.341 -10.937 -14.520
60 HG12 ILE 7 2HG1 ILE 7 7.425 -9.981 -13.559
61 HG13 ILE 7 3HG1 ILE 7 7.727 -11.364 -14.606
62 HG21 ILE 7 1HG2 ILE 7 4.866 -10.639 -16.894
63 HG22 ILE 7 2HG2 ILE 7 6.495 -10.016 -17.149
64 HG23 ILE 7 3HG2 ILE 7 6.260 -11.692 -16.655
65 HD11 ILE 7 1HD1 ILE 7 7.826 -8.870 -16.063
66 HD12 ILE 7 2HD1 ILE 7 8.969 -8.906 -14.720
67 HD13 ILE 7 3HD1 ILE 7 9.016 -10.167 -15.952
68 HA PRO 8 HA PRO 8 1.580 -7.589 -16.131
69 HB2 PRO 8 2HB PRO 8 1.875 -6.174 -18.429
70 HB3 PRO 8 3HB PRO 8 2.061 -5.452 -16.826
71 HG2 PRO 8 2HG PRO 8 4.165 -6.405 -18.730
72 HG3 PRO 8 3HG PRO 8 4.130 -4.929 -17.749
73 HD2 PRO 8 2HD PRO 8 5.550 -7.120 -17.033
74 HD3 PRO 8 3HD PRO 8 4.813 -6.029 -15.842
75 H DBB 9 H DBB 9 1.297 -9.857 -16.553
76 HA DBB 9 HA DBB 9 1.702 -10.725 -19.359
77 HB2 DBB 9 3HB DBB 9 -0.878 -11.455 -18.018
78 HG1 DBB 9 1HG DBB 9 -0.235 -8.706 -19.165
79 HG2 DBB 9 2HG DBB 9 -1.892 -9.321 -18.953
80 HG3 DBB 9 3HG DBB 9 -0.843 -9.083 -17.535
81 H VAL 10 H VAL 10 0.784 -11.557 -16.037
82 HA VAL 10 HA VAL 10 1.849 -14.266 -16.495
83 HB VAL 10 HB VAL 10 2.729 -14.222 -14.168
84 HG11 VAL 10 1HG1 VAL 10 4.692 -12.808 -14.673
85 HG12 VAL 10 2HG1 VAL 10 4.239 -13.857 -16.018
86 HG13 VAL 10 3HG1 VAL 10 3.825 -12.143 -16.057
87 HG21 VAL 10 1HG2 VAL 10 1.848 -11.355 -14.341
88 HG22 VAL 10 2HG2 VAL 10 1.471 -12.549 -13.098
89 HG23 VAL 10 3HG2 VAL 10 3.101 -11.886 -13.219
90 H DAL 11 H DAL 11 -0.674 -12.317 -15.343
91 HA DAL 11 HA DAL 11 -2.701 -12.763 -14.310
92 HB1 DAL 11 2HB DAL 11 -2.474 -14.794 -12.580
93 HB2 DAL 11 3HB DAL 11 -0.737 -14.508 -12.842
94 H HIS 12 H HIS 12 -4.446 -14.299 -14.337
95 HA HIS 12 HA HIS 12 -3.978 -16.734 -15.892
96 HB2 HIS 12 2HB HIS 12 -5.684 -16.089 -13.719
97 HB3 HIS 12 3HB HIS 12 -6.716 -16.439 -15.103
98 HD1 HIS 12 HD1 HIS 12 -6.527 -18.850 -16.131
99 HD2 HIS 12 HD2 HIS 12 -4.422 -18.276 -12.596
100 HE1 HIS 12 HE1 HIS 12 -5.951 -21.156 -15.309
101 H ASP 13 H ASP 13 -5.422 -13.598 -16.103
102 HA ASP 13 HA ASP 13 -6.405 -14.261 -18.801
103 HB2 ASP 13 2HB ASP 13 -7.992 -12.245 -18.350
104 HB3 ASP 13 3HB ASP 13 -8.385 -13.818 -17.663
105 H CYS 14 H CYS 14 -3.920 -13.617 -18.899
106 HA CYS 14 HA CYS 14 -2.935 -11.098 -18.675
107 HB2 CYS 14 2HB CYS 14 -1.748 -13.152 -19.569
108 HB3 CYS 14 3HB CYS 14 -2.464 -12.784 -21.135
109 H HIS 15 H HIS 15 -3.806 -9.217 -19.222
110 HA HIS 15 HA HIS 15 -4.914 -8.918 -21.927
111 HB2 HIS 15 2HB HIS 15 -6.355 -8.704 -19.443
112 HB3 HIS 15 3HB HIS 15 -6.342 -7.145 -20.262
113 HD1 HIS 15 HD1 HIS 15 -8.436 -6.901 -21.536
114 HD2 HIS 15 HD2 HIS 15 -6.985 -10.791 -21.699
115 HE1 HIS 15 HE1 HIS 15 -10.031 -8.152 -23.024
116 H MET 16 H MET 16 -4.490 -6.777 -19.110
117 HA MET 16 HA MET 16 -2.214 -5.440 -19.994
118 HB2 MET 16 2HB MET 16 -4.416 -4.797 -21.588
119 HB3 MET 16 3HB MET 16 -4.250 -3.436 -20.487
120 HG2 MET 16 2HG MET 16 -2.075 -2.962 -21.228
121 HG3 MET 16 3HG MET 16 -1.924 -4.521 -22.035
122 HE1 MET 16 1HE MET 16 -0.850 -2.673 -23.657
123 HE2 MET 16 2HE MET 16 -1.794 -1.869 -24.911
124 HE3 MET 16 3HE MET 16 -1.663 -1.148 -23.306
125 H ASN 17 H ASN 17 -2.608 -2.864 -19.162
126 HA ASN 17 HA ASN 17 -2.786 -1.541 -17.319
127 HB2 ASN 17 2HB ASN 17 -5.214 -2.592 -17.484
128 HB3 ASN 17 3HB ASN 17 -4.716 -3.400 -16.000
129 HD21 ASN 17 1HD2 ASN 17 -5.491 -0.375 -17.499
130 HD22 ASN 17 2HD2 ASN 17 -5.591 0.555 -16.047
131 H DAL 18 H DAL 18 -0.588 -2.859 -17.212
132 HA DAL 18 HA DAL 18 1.030 -3.923 -15.920
133 HB1 DAL 18 2HB DAL 18 0.405 -5.755 -14.655
134 HB2 DAL 18 3HB DAL 18 -0.989 -4.915 -13.937
135 H PHE 19 H PHE 19 -1.581 -3.103 -13.629
136 HA PHE 19 HA PHE 19 0.348 -1.662 -11.991
137 HB2 PHE 19 2HB PHE 19 -2.203 -0.307 -12.875
138 HB3 PHE 19 3HB PHE 19 -0.883 0.392 -11.941
139 HD1 PHE 19 HD1 PHE 19 -1.854 -0.856 -15.275
140 HD2 PHE 19 HD2 PHE 19 1.004 1.331 -13.002
141 HE1 PHE 19 HE1 PHE 19 -0.813 -0.059 -17.357
142 HE2 PHE 19 HE2 PHE 19 2.049 2.131 -15.080
143 HZ PHE 19 HZ PHE 19 1.141 1.437 -17.261
144 H GLN 20 H GLN 20 -0.808 -4.060 -11.391
145 HA GLN 20 HA GLN 20 -1.909 -3.632 -8.868
146 HB2 GLN 20 2HB GLN 20 -3.823 -3.167 -10.801
147 HB3 GLN 20 3HB GLN 20 -4.130 -4.836 -10.339
148 HG2 GLN 20 2HG GLN 20 -3.724 -2.985 -8.099
149 HG3 GLN 20 3HG GLN 20 -5.156 -2.677 -9.080
150 HE21 GLN 20 1HE2 GLN 20 -6.336 -4.823 -9.652
151 HE22 GLN 20 2HE2 GLN 20 -6.629 -5.868 -8.307
152 H PHE 21 H PHE 21 -1.160 -5.350 -7.837
153 HA PHE 21 HA PHE 21 -1.411 -7.987 -9.123
154 HB2 PHE 21 2HB PHE 21 0.961 -6.781 -7.721
155 HB3 PHE 21 3HB PHE 21 0.755 -8.527 -7.809
156 HD1 PHE 21 HD1 PHE 21 1.866 -9.594 -9.498
157 HD2 PHE 21 HD2 PHE 21 0.559 -5.589 -10.106
158 HE1 PHE 21 HE1 PHE 21 2.891 -9.603 -11.735
159 HE2 PHE 21 HE2 PHE 21 1.581 -5.592 -12.344
160 HZ PHE 21 HZ PHE 21 2.748 -7.601 -13.162
161 H VAL 22 H VAL 22 -3.157 -8.695 -7.979
162 HA VAL 22 HA VAL 22 -3.354 -8.356 -5.129
163 HB VAL 22 HB VAL 22 -5.366 -9.806 -5.329
164 HG11 VAL 22 1HG1 VAL 22 -6.612 -8.208 -6.892
165 HG12 VAL 22 2HG1 VAL 22 -5.798 -7.511 -5.490
166 HG13 VAL 22 3HG1 VAL 22 -5.061 -7.393 -7.088
167 HG21 VAL 22 1HG2 VAL 22 -4.138 -10.626 -7.705
168 HG22 VAL 22 2HG2 VAL 22 -5.724 -11.105 -7.099
169 HG23 VAL 22 3HG2 VAL 22 -5.577 -9.733 -8.198
170 H PHE 23 H PHE 23 -1.832 -10.576 -7.194
171 HA PHE 23 HA PHE 23 -0.746 -12.089 -5.087
172 HB2 PHE 23 2HB PHE 23 -3.132 -12.973 -5.142
173 HB3 PHE 23 3HB PHE 23 -2.742 -13.659 -6.716
174 HD1 PHE 23 HD1 PHE 23 -0.772 -13.456 -3.561
175 HD2 PHE 23 HD2 PHE 23 -2.626 -15.945 -6.475
176 HE1 PHE 23 HE1 PHE 23 0.169 -15.444 -2.457
177 HE2 PHE 23 HE2 PHE 23 -1.689 -17.936 -5.375
178 HZ PHE 23 HZ PHE 23 -0.291 -17.688 -3.363
179 H DBU 24 H DBU 24 0.023 -10.723 -7.523
180 HB DBU 24 HB DBU 24 2.977 -12.489 -9.570
181 HG1 DBU 24 1HG DBU 24 2.392 -12.869 -6.568
182 HG2 DBU 24 2HG DBU 24 3.755 -11.889 -7.126
183 HG3 DBU 24 3HG DBU 24 3.661 -13.607 -7.553
184 H CYS 25 H CYS 25 -1.266 -11.694 -9.588
185 HA CYS 25 HA CYS 25 -0.667 -11.798 -12.406
186 HB2 CYS 25 2HB CYS 25 -3.324 -11.192 -11.100
187 HB3 CYS 25 3HB CYS 25 -3.048 -11.769 -12.741
188 H CYS 26 H CYS 26 -1.894 -10.140 -13.834
189 HA CYS 26 HA CYS 26 -1.098 -7.469 -12.904
190 HB2 CYS 26 2HB CYS 26 0.067 -7.921 -14.886
191 HB3 CYS 26 3HB CYS 26 -1.317 -8.717 -15.628
192 H SER 27 H SER 27 -2.514 -5.796 -12.839
193 HA SER 27 HA SER 27 -5.079 -5.887 -14.115
194 HB2 SER 27 2HB SER 27 -4.809 -6.803 -11.351
195 HB3 SER 27 3HB SER 27 -5.970 -5.487 -11.526
196 HG SER 27 HG SER 27 -7.208 -7.146 -12.032
Start of MODEL 14
1 H1 LYS 1 H LYS 1 2.787 0.329 1.160
2 HA LYS 1 HA LYS 1 3.485 1.005 -1.543
3 HB2 LYS 1 2HB LYS 1 4.642 -0.656 0.117
4 HB3 LYS 1 3HB LYS 1 3.461 -1.804 -0.499
5 HG2 LYS 1 2HG LYS 1 4.302 -1.121 -2.823
6 HG3 LYS 1 3HG LYS 1 5.676 -0.422 -1.964
7 HD2 LYS 1 2HD LYS 1 4.866 -3.224 -1.348
8 HD3 LYS 1 3HD LYS 1 5.745 -2.900 -2.844
9 HE2 LYS 1 2HE LYS 1 7.602 -2.022 -1.672
10 HE3 LYS 1 3HE LYS 1 6.697 -1.928 -0.162
11 HZ1 LYS 1 1HZ LYS 1 6.547 -4.407 -0.263
12 HZ2 LYS 1 2HZ LYS 1 8.107 -3.801 -0.015
13 HZ3 LYS 1 3HZ LYS 1 7.653 -4.370 -1.542
14 H LYS 2 H LYS 2 0.975 1.549 -1.675
15 HA LYS 2 HA LYS 2 -0.745 -0.670 -2.232
16 HB2 LYS 2 2HB LYS 2 -1.115 2.019 -1.701
17 HB3 LYS 2 3HB LYS 2 -1.547 1.885 -3.400
18 HG2 LYS 2 2HG LYS 2 -3.488 0.933 -2.911
19 HG3 LYS 2 3HG LYS 2 -2.715 -0.257 -1.861
20 HD2 LYS 2 2HD LYS 2 -3.895 0.799 -0.251
21 HD3 LYS 2 3HD LYS 2 -2.545 1.936 -0.301
22 HE2 LYS 2 2HE LYS 2 -3.986 3.056 -2.193
23 HE3 LYS 2 3HE LYS 2 -5.307 2.206 -1.392
24 HZ1 LYS 2 1HZ LYS 2 -5.304 3.675 0.254
25 HZ2 LYS 2 2HZ LYS 2 -4.261 4.630 -0.673
26 HZ3 LYS 2 3HZ LYS 2 -3.631 3.559 0.476
27 H LYS 3 H LYS 3 0.749 1.837 -4.278
28 HA LYS 3 HA LYS 3 -0.108 0.948 -6.747
29 HB2 LYS 3 2HB LYS 3 1.957 2.703 -5.743
30 HB3 LYS 3 3HB LYS 3 2.535 1.811 -7.144
31 HG2 LYS 3 2HG LYS 3 0.787 2.651 -8.509
32 HG3 LYS 3 3HG LYS 3 -0.062 3.325 -7.116
33 HD2 LYS 3 2HD LYS 3 1.811 4.876 -6.747
34 HD3 LYS 3 3HD LYS 3 2.625 4.216 -8.168
35 HE2 LYS 3 2HE LYS 3 1.122 5.171 -9.634
36 HE3 LYS 3 3HE LYS 3 -0.157 5.266 -8.425
37 HZ1 LYS 3 1HZ LYS 3 1.770 7.216 -9.139
38 HZ2 LYS 3 2HZ LYS 3 1.894 6.858 -7.490
39 HZ3 LYS 3 3HZ LYS 3 0.417 7.372 -8.135
40 H SER 4 H SER 4 0.726 -0.434 -8.319
41 HA SER 4 HA SER 4 2.991 -2.130 -7.675
42 HB2 SER 4 2HB SER 4 1.592 -4.208 -8.150
43 HB3 SER 4 3HB SER 4 1.321 -3.429 -6.591
44 HG SER 4 HG SER 4 -0.345 -3.608 -8.812
45 H GLY 5 H GLY 5 3.922 -3.100 -9.469
46 HA2 GLY 5 2HA GLY 5 2.617 -3.101 -12.031
47 HA3 GLY 5 3HA GLY 5 3.841 -1.848 -11.891
48 H VAL 6 H VAL 6 3.665 -5.237 -10.799
49 HA VAL 6 HA VAL 6 6.332 -5.858 -11.084
50 HB VAL 6 HB VAL 6 3.947 -7.664 -11.493
51 HG11 VAL 6 1HG1 VAL 6 5.683 -8.846 -12.501
52 HG12 VAL 6 2HG1 VAL 6 6.882 -8.257 -11.348
53 HG13 VAL 6 3HG1 VAL 6 5.683 -9.449 -10.844
54 HG21 VAL 6 1HG2 VAL 6 3.981 -6.708 -9.292
55 HG22 VAL 6 2HG2 VAL 6 4.502 -8.389 -9.177
56 HG23 VAL 6 3HG2 VAL 6 5.693 -7.090 -9.103
57 H ILE 7 H ILE 7 4.052 -7.329 -13.351
58 HA ILE 7 HA ILE 7 5.595 -6.335 -15.620
59 HB ILE 7 HB ILE 7 5.156 -9.280 -15.111
60 HG12 ILE 7 2HG1 ILE 7 7.031 -8.245 -13.846
61 HG13 ILE 7 3HG1 ILE 7 7.573 -9.437 -15.023
62 HG21 ILE 7 1HG2 ILE 7 6.384 -9.600 -17.229
63 HG22 ILE 7 2HG2 ILE 7 4.838 -8.783 -17.451
64 HG23 ILE 7 3HG2 ILE 7 6.338 -7.857 -17.491
65 HD11 ILE 7 1HD1 ILE 7 8.830 -7.942 -16.066
66 HD12 ILE 7 2HD1 ILE 7 7.501 -6.785 -16.159
67 HD13 ILE 7 3HD1 ILE 7 8.511 -6.855 -14.715
68 HA PRO 8 HA PRO 8 1.351 -6.029 -16.980
69 HB2 PRO 8 2HB PRO 8 1.919 -4.757 -19.310
70 HB3 PRO 8 3HB PRO 8 1.903 -3.934 -17.746
71 HG2 PRO 8 2HG PRO 8 4.230 -4.978 -19.313
72 HG3 PRO 8 3HG PRO 8 4.068 -3.443 -18.440
73 HD2 PRO 8 2HD PRO 8 5.400 -5.567 -17.417
74 HD3 PRO 8 3HD PRO 8 4.517 -4.413 -16.398
75 H DBB 9 H DBB 9 1.446 -8.436 -17.214
76 HA DBB 9 HA DBB 9 1.968 -9.349 -19.987
77 HB2 DBB 9 3HB DBB 9 -0.360 -8.969 -20.128
78 HG1 DBB 9 1HG DBB 9 -1.277 -11.128 -20.369
79 HG2 DBB 9 2HG DBB 9 0.474 -11.435 -20.456
80 HG3 DBB 9 3HG DBB 9 -0.411 -11.756 -18.946
81 H VAL 10 H VAL 10 0.842 -10.357 -16.753
82 HA VAL 10 HA VAL 10 2.261 -12.895 -17.084
83 HB VAL 10 HB VAL 10 3.240 -12.665 -14.794
84 HG11 VAL 10 1HG1 VAL 10 4.145 -10.657 -16.856
85 HG12 VAL 10 2HG1 VAL 10 5.113 -11.237 -15.499
86 HG13 VAL 10 3HG1 VAL 10 4.616 -12.354 -16.771
87 HG21 VAL 10 1HG2 VAL 10 1.941 -10.018 -15.037
88 HG22 VAL 10 2HG2 VAL 10 2.223 -11.017 -13.611
89 HG23 VAL 10 3HG2 VAL 10 3.537 -10.056 -14.287
90 H DAL 11 H DAL 11 0.395 -14.079 -17.029
91 HA DAL 11 HA DAL 11 -1.727 -13.650 -15.123
92 HB1 DAL 11 2HB DAL 11 -1.374 -15.655 -13.764
93 HB2 DAL 11 3HB DAL 11 0.091 -16.062 -14.689
94 H HIS 12 H HIS 12 -3.487 -14.405 -16.081
95 HA HIS 12 HA HIS 12 -3.188 -16.326 -18.269
96 HB2 HIS 12 2HB HIS 12 -5.261 -17.515 -17.440
97 HB3 HIS 12 3HB HIS 12 -3.811 -17.764 -16.471
98 HD1 HIS 12 HD1 HIS 12 -3.708 -16.400 -14.181
99 HD2 HIS 12 HD2 HIS 12 -7.396 -16.452 -16.092
100 HE1 HIS 12 HE1 HIS 12 -5.375 -15.670 -12.445
101 H ASP 13 H ASP 13 -5.282 -14.061 -16.543
102 HA ASP 13 HA ASP 13 -6.769 -13.600 -19.039
103 HB2 ASP 13 2HB ASP 13 -7.616 -13.904 -16.335
104 HB3 ASP 13 3HB ASP 13 -7.982 -12.256 -16.837
105 H CYS 14 H CYS 14 -4.102 -12.488 -18.104
106 HA CYS 14 HA CYS 14 -4.610 -9.677 -17.703
107 HB2 CYS 14 2HB CYS 14 -2.668 -10.436 -16.619
108 HB3 CYS 14 3HB CYS 14 -2.127 -11.342 -18.029
109 H HIS 15 H HIS 15 -4.834 -8.176 -19.226
110 HA HIS 15 HA HIS 15 -4.193 -8.914 -22.003
111 HB2 HIS 15 2HB HIS 15 -6.339 -7.199 -20.801
112 HB3 HIS 15 3HB HIS 15 -5.816 -6.911 -22.458
113 HD1 HIS 15 HD1 HIS 15 -6.051 -10.383 -21.055
114 HD2 HIS 15 HD2 HIS 15 -8.179 -7.858 -23.576
115 HE1 HIS 15 HE1 HIS 15 -7.793 -11.832 -22.144
116 H MET 16 H MET 16 -2.014 -8.146 -20.741
117 HA MET 16 HA MET 16 -0.324 -6.621 -20.614
118 HB2 MET 16 2HB MET 16 -0.539 -6.857 -23.059
119 HB3 MET 16 3HB MET 16 -1.694 -5.532 -23.080
120 HG2 MET 16 2HG MET 16 -0.050 -3.956 -22.483
121 HG3 MET 16 3HG MET 16 1.100 -5.214 -22.037
122 HE1 MET 16 1HE MET 16 2.964 -3.681 -24.917
123 HE2 MET 16 2HE MET 16 1.594 -2.617 -24.598
124 HE3 MET 16 3HE MET 16 2.436 -3.397 -23.258
125 H ASN 17 H ASN 17 -0.954 -5.628 -18.673
126 HA ASN 17 HA ASN 17 -1.425 -2.829 -18.865
127 HB2 ASN 17 2HB ASN 17 -3.708 -4.625 -18.261
128 HB3 ASN 17 3HB ASN 17 -3.541 -3.202 -17.237
129 HD21 ASN 17 1HD2 ASN 17 -4.851 -4.375 -20.029
130 HD22 ASN 17 2HD2 ASN 17 -5.150 -2.883 -20.848
131 H DAL 18 H DAL 18 -2.424 -5.134 -16.352
132 HA DAL 18 HA DAL 18 -0.053 -4.531 -14.727
133 HB1 DAL 18 2HB DAL 18 -0.451 -6.662 -14.085
134 HB2 DAL 18 3HB DAL 18 -1.902 -6.076 -13.238
135 H PHE 19 H PHE 19 -3.522 -4.733 -13.927
136 HA PHE 19 HA PHE 19 -3.521 -2.042 -12.874
137 HB2 PHE 19 2HB PHE 19 -5.712 -4.115 -12.679
138 HB3 PHE 19 3HB PHE 19 -5.874 -2.372 -12.489
139 HD1 PHE 19 HD1 PHE 19 -5.725 -0.892 -14.439
140 HD2 PHE 19 HD2 PHE 19 -5.639 -5.129 -14.834
141 HE1 PHE 19 HE1 PHE 19 -6.223 -0.675 -16.839
142 HE2 PHE 19 HE2 PHE 19 -6.136 -4.919 -17.234
143 HZ PHE 19 HZ PHE 19 -6.428 -2.690 -18.240
144 H GLN 20 H GLN 20 -3.367 -5.311 -11.649
145 HA GLN 20 HA GLN 20 -2.267 -4.581 -9.189
146 HB2 GLN 20 2HB GLN 20 -5.112 -4.309 -9.282
147 HB3 GLN 20 3HB GLN 20 -4.710 -5.642 -8.207
148 HG2 GLN 20 2HG GLN 20 -2.950 -3.497 -7.631
149 HG3 GLN 20 3HG GLN 20 -4.591 -2.857 -7.705
150 HE21 GLN 20 1HE2 GLN 20 -4.783 -2.490 -5.532
151 HE22 GLN 20 2HE2 GLN 20 -4.870 -3.758 -4.362
152 H PHE 21 H PHE 21 -1.193 -6.306 -8.486
153 HA PHE 21 HA PHE 21 -1.961 -8.936 -9.524
154 HB2 PHE 21 2HB PHE 21 0.615 -8.205 -8.128
155 HB3 PHE 21 3HB PHE 21 0.292 -9.629 -9.112
156 HD1 PHE 21 HD1 PHE 21 0.763 -9.622 -11.388
157 HD2 PHE 21 HD2 PHE 21 0.547 -5.930 -9.280
158 HE1 PHE 21 HE1 PHE 21 1.611 -8.442 -13.374
159 HE2 PHE 21 HE2 PHE 21 1.394 -4.745 -11.263
160 HZ PHE 21 HZ PHE 21 1.926 -6.001 -13.313
161 H VAL 22 H VAL 22 -2.983 -10.319 -8.251
162 HA VAL 22 HA VAL 22 -3.282 -9.803 -5.434
163 HB VAL 22 HB VAL 22 -4.269 -12.117 -7.108
164 HG11 VAL 22 1HG1 VAL 22 -4.970 -11.296 -4.292
165 HG12 VAL 22 2HG1 VAL 22 -5.799 -12.544 -5.225
166 HG13 VAL 22 3HG1 VAL 22 -4.106 -12.755 -4.776
167 HG21 VAL 22 1HG2 VAL 22 -5.858 -9.793 -6.049
168 HG22 VAL 22 2HG2 VAL 22 -5.121 -9.794 -7.652
169 HG23 VAL 22 3HG2 VAL 22 -6.346 -10.996 -7.243
170 H PHE 23 H PHE 23 -2.488 -12.882 -7.029
171 HA PHE 23 HA PHE 23 -0.630 -13.447 -4.825
172 HB2 PHE 23 2HB PHE 23 -1.788 -15.412 -6.808
173 HB3 PHE 23 3HB PHE 23 -0.927 -15.785 -5.319
174 HD1 PHE 23 HD1 PHE 23 -4.070 -15.576 -6.785
175 HD2 PHE 23 HD2 PHE 23 -2.032 -14.686 -3.156
176 HE1 PHE 23 HE1 PHE 23 -6.210 -15.638 -5.571
177 HE2 PHE 23 HE2 PHE 23 -4.168 -14.747 -1.937
178 HZ PHE 23 HZ PHE 23 -6.261 -15.224 -3.144
179 H DBU 24 H DBU 24 -0.199 -11.888 -7.418
180 HB DBU 24 HB DBU 24 3.542 -12.563 -8.849
181 HG1 DBU 24 1HG DBU 24 3.509 -14.069 -6.559
182 HG2 DBU 24 2HG DBU 24 2.703 -12.621 -5.940
183 HG3 DBU 24 3HG DBU 24 4.339 -12.508 -6.613
184 H CYS 25 H CYS 25 -0.346 -13.499 -9.773
185 HA CYS 25 HA CYS 25 0.629 -12.584 -12.308
186 HB2 CYS 25 2HB CYS 25 -1.922 -13.961 -11.463
187 HB3 CYS 25 3HB CYS 25 -1.586 -13.514 -13.132
188 H CYS 26 H CYS 26 -1.289 -11.636 -13.792
189 HA CYS 26 HA CYS 26 -2.188 -9.188 -12.421
190 HB2 CYS 26 2HB CYS 26 -0.551 -8.660 -14.108
191 HB3 CYS 26 3HB CYS 26 -1.396 -9.638 -15.303
192 H SER 27 H SER 27 -4.293 -8.642 -12.475
193 HA SER 27 HA SER 27 -6.098 -10.409 -13.991
194 HB2 SER 27 2HB SER 27 -6.350 -9.087 -11.309
195 HB3 SER 27 3HB SER 27 -7.800 -9.499 -12.223
196 HG SER 27 HG SER 27 -7.491 -11.356 -11.246
Start of MODEL 15
1 H1 LYS 1 H LYS 1 -2.085 1.334 0.867
2 HA LYS 1 HA LYS 1 -0.818 -0.845 0.250
3 HB2 LYS 1 2HB LYS 1 -1.453 -0.695 -2.053
4 HB3 LYS 1 3HB LYS 1 -2.670 0.155 -1.110
5 HG2 LYS 1 2HG LYS 1 -1.429 2.284 -1.661
6 HG3 LYS 1 3HG LYS 1 -0.498 1.331 -2.819
7 HD2 LYS 1 2HD LYS 1 -2.271 1.062 -4.232
8 HD3 LYS 1 3HD LYS 1 -3.459 1.125 -2.927
9 HE2 LYS 1 2HE LYS 1 -3.299 3.491 -2.785
10 HE3 LYS 1 3HE LYS 1 -1.877 3.524 -3.827
11 HZ1 LYS 1 1HZ LYS 1 -3.452 4.066 -5.339
12 HZ2 LYS 1 2HZ LYS 1 -4.695 3.247 -4.535
13 HZ3 LYS 1 3HZ LYS 1 -3.581 2.384 -5.471
14 H LYS 2 H LYS 2 0.979 -1.641 -0.838
15 HA LYS 2 HA LYS 2 3.193 0.270 -1.083
16 HB2 LYS 2 2HB LYS 2 3.100 -2.709 -0.646
17 HB3 LYS 2 3HB LYS 2 4.582 -1.884 -1.111
18 HG2 LYS 2 2HG LYS 2 3.969 -0.362 0.956
19 HG3 LYS 2 3HG LYS 2 3.088 -1.809 1.452
20 HD2 LYS 2 2HD LYS 2 5.002 -2.644 2.218
21 HD3 LYS 2 3HD LYS 2 5.596 -2.697 0.556
22 HE2 LYS 2 2HE LYS 2 6.178 -0.207 0.937
23 HE3 LYS 2 3HE LYS 2 6.013 -0.593 2.649
24 HZ1 LYS 2 1HZ LYS 2 8.022 -1.488 2.637
25 HZ2 LYS 2 2HZ LYS 2 8.223 -1.013 1.026
26 HZ3 LYS 2 3HZ LYS 2 7.606 -2.546 1.384
27 H LYS 3 H LYS 3 1.404 -2.190 -2.834
28 HA LYS 3 HA LYS 3 1.275 -2.711 -5.044
29 HB2 LYS 3 2HB LYS 3 1.814 0.104 -4.932
30 HB3 LYS 3 3HB LYS 3 2.653 -0.586 -6.315
31 HG2 LYS 3 2HG LYS 3 0.243 -1.749 -6.601
32 HG3 LYS 3 3HG LYS 3 -0.227 -0.234 -5.826
33 HD2 LYS 3 2HD LYS 3 1.734 0.020 -8.007
34 HD3 LYS 3 3HD LYS 3 0.131 -0.535 -8.493
35 HE2 LYS 3 2HE LYS 3 -0.039 1.777 -8.652
36 HE3 LYS 3 3HE LYS 3 -0.736 1.433 -7.070
37 HZ1 LYS 3 1HZ LYS 3 0.678 3.013 -6.394
38 HZ2 LYS 3 2HZ LYS 3 1.680 2.868 -7.748
39 HZ3 LYS 3 3HZ LYS 3 1.845 1.790 -6.456
40 H SER 4 H SER 4 2.738 -2.835 -7.138
41 HA SER 4 HA SER 4 5.555 -3.049 -6.700
42 HB2 SER 4 2HB SER 4 5.224 -5.664 -7.395
43 HB3 SER 4 3HB SER 4 5.481 -5.103 -5.743
44 HG SER 4 HG SER 4 3.632 -6.043 -5.393
45 H GLY 5 H GLY 5 6.589 -4.265 -8.641
46 HA2 GLY 5 2HA GLY 5 4.968 -3.859 -11.066
47 HA3 GLY 5 3HA GLY 5 6.549 -3.103 -10.934
48 H VAL 6 H VAL 6 5.353 -6.354 -10.105
49 HA VAL 6 HA VAL 6 7.651 -7.733 -10.803
50 HB VAL 6 HB VAL 6 4.786 -8.684 -10.900
51 HG11 VAL 6 1HG1 VAL 6 6.472 -10.850 -10.406
52 HG12 VAL 6 2HG1 VAL 6 5.550 -10.531 -11.876
53 HG13 VAL 6 3HG1 VAL 6 7.221 -9.979 -11.744
54 HG21 VAL 6 1HG2 VAL 6 6.891 -9.133 -8.790
55 HG22 VAL 6 2HG2 VAL 6 5.664 -7.869 -8.706
56 HG23 VAL 6 3HG2 VAL 6 5.183 -9.565 -8.711
57 H ILE 7 H ILE 7 4.759 -8.341 -12.722
58 HA ILE 7 HA ILE 7 6.152 -7.593 -15.175
59 HB ILE 7 HB ILE 7 5.054 -10.367 -14.705
60 HG12 ILE 7 2HG1 ILE 7 7.304 -9.927 -13.742
61 HG13 ILE 7 3HG1 ILE 7 7.335 -11.121 -15.035
62 HG21 ILE 7 1HG2 ILE 7 4.494 -9.772 -16.925
63 HG22 ILE 7 2HG2 ILE 7 6.063 -9.014 -17.193
64 HG23 ILE 7 3HG2 ILE 7 5.946 -10.766 -17.032
65 HD11 ILE 7 1HD1 ILE 7 8.923 -8.860 -14.798
66 HD12 ILE 7 2HD1 ILE 7 8.767 -9.910 -16.208
67 HD13 ILE 7 3HD1 ILE 7 7.763 -8.467 -16.066
68 HA PRO 8 HA PRO 8 1.938 -6.151 -15.713
69 HB2 PRO 8 2HB PRO 8 2.475 -4.679 -17.930
70 HB3 PRO 8 3HB PRO 8 2.850 -4.124 -16.294
71 HG2 PRO 8 2HG PRO 8 4.654 -5.371 -18.331
72 HG3 PRO 8 3HG PRO 8 4.960 -3.990 -17.261
73 HD2 PRO 8 2HD PRO 8 5.894 -6.477 -16.735
74 HD3 PRO 8 3HD PRO 8 5.437 -5.337 -15.453
75 H DBB 9 H DBB 9 1.521 -8.497 -16.258
76 HA DBB 9 HA DBB 9 1.306 -8.942 -19.191
77 HB2 DBB 9 3HB DBB 9 -0.846 -9.686 -17.171
78 HG1 DBB 9 1HG DBB 9 -0.643 -7.244 -18.988
79 HG2 DBB 9 2HG DBB 9 -2.102 -7.729 -18.093
80 HG3 DBB 9 3HG DBB 9 -0.638 -7.239 -17.208
81 H VAL 10 H VAL 10 0.353 -10.704 -16.245
82 HA VAL 10 HA VAL 10 2.045 -12.938 -17.158
83 HB VAL 10 HB VAL 10 1.987 -13.444 -14.542
84 HG11 VAL 10 1HG1 VAL 10 4.046 -13.380 -15.651
85 HG12 VAL 10 2HG1 VAL 10 3.859 -11.681 -16.089
86 HG13 VAL 10 3HG1 VAL 10 4.180 -12.131 -14.414
87 HG21 VAL 10 1HG2 VAL 10 0.666 -11.167 -14.387
88 HG22 VAL 10 2HG2 VAL 10 1.825 -11.638 -13.144
89 HG23 VAL 10 3HG2 VAL 10 2.293 -10.488 -14.397
90 H DAL 11 H DAL 11 0.104 -13.067 -14.280
91 HA DAL 11 HA DAL 11 -2.393 -13.875 -15.016
92 HB1 DAL 11 2HB DAL 11 -1.116 -13.904 -12.672
93 HB2 DAL 11 3HB DAL 11 -2.560 -14.909 -12.938
94 H HIS 12 H HIS 12 -3.374 -15.793 -15.667
95 HA HIS 12 HA HIS 12 -1.621 -17.964 -16.563
96 HB2 HIS 12 2HB HIS 12 -3.701 -19.282 -16.766
97 HB3 HIS 12 3HB HIS 12 -3.481 -18.637 -15.142
98 HD1 HIS 12 HD1 HIS 12 -5.651 -18.328 -18.172
99 HD2 HIS 12 HD2 HIS 12 -5.388 -16.759 -14.334
100 HE1 HIS 12 HE1 HIS 12 -7.826 -17.125 -17.787
101 H ASP 13 H ASP 13 -3.891 -15.569 -17.722
102 HA ASP 13 HA ASP 13 -3.276 -16.400 -20.483
103 HB2 ASP 13 2HB ASP 13 -5.836 -15.859 -19.183
104 HB3 ASP 13 3HB ASP 13 -5.610 -14.926 -20.660
105 H CYS 14 H CYS 14 -4.453 -13.580 -18.638
106 HA CYS 14 HA CYS 14 -3.910 -11.373 -18.727
107 HB2 CYS 14 2HB CYS 14 -1.619 -12.148 -18.339
108 HB3 CYS 14 3HB CYS 14 -1.399 -12.397 -20.068
109 H HIS 15 H HIS 15 -4.145 -9.598 -20.090
110 HA HIS 15 HA HIS 15 -4.363 -10.176 -22.965
111 HB2 HIS 15 2HB HIS 15 -6.481 -9.399 -21.136
112 HB3 HIS 15 3HB HIS 15 -6.306 -8.241 -22.451
113 HD1 HIS 15 HD1 HIS 15 -8.407 -10.822 -21.756
114 HD2 HIS 15 HD2 HIS 15 -5.871 -10.157 -24.978
115 HE1 HIS 15 HE1 HIS 15 -9.326 -12.220 -23.634
116 H MET 16 H MET 16 -4.201 -7.641 -20.483
117 HA MET 16 HA MET 16 -2.108 -6.260 -21.775
118 HB2 MET 16 2HB MET 16 -4.567 -5.736 -22.935
119 HB3 MET 16 3HB MET 16 -4.346 -4.390 -21.825
120 HG2 MET 16 2HG MET 16 -2.155 -3.937 -22.847
121 HG3 MET 16 3HG MET 16 -2.444 -5.244 -23.994
122 HE1 MET 16 1HE MET 16 -2.467 -1.503 -25.223
123 HE2 MET 16 2HE MET 16 -3.402 -1.090 -23.786
124 HE3 MET 16 3HE MET 16 -1.947 -2.077 -23.639
125 H ASN 17 H ASN 17 -2.358 -3.728 -20.855
126 HA ASN 17 HA ASN 17 -2.175 -2.418 -19.005
127 HB2 ASN 17 2HB ASN 17 -3.937 -4.323 -17.486
128 HB3 ASN 17 3HB ASN 17 -3.808 -2.574 -17.326
129 HD21 ASN 17 1HD2 ASN 17 -5.561 -5.097 -18.628
130 HD22 ASN 17 2HD2 ASN 17 -6.542 -4.196 -19.729
131 H DAL 18 H DAL 18 -2.024 -2.962 -16.313
132 HA DAL 18 HA DAL 18 0.490 -4.505 -16.178
133 HB1 DAL 18 2HB DAL 18 -0.623 -6.257 -15.240
134 HB2 DAL 18 3HB DAL 18 -0.763 -5.212 -13.806
135 H PHE 19 H PHE 19 -1.788 -3.141 -13.803
136 HA PHE 19 HA PHE 19 0.409 -1.548 -12.710
137 HB2 PHE 19 2HB PHE 19 -0.844 0.487 -12.691
138 HB3 PHE 19 3HB PHE 19 -0.926 -0.149 -14.331
139 HD1 PHE 19 HD1 PHE 19 -3.012 -1.812 -14.680
140 HD2 PHE 19 HD2 PHE 19 -2.781 1.334 -11.823
141 HE1 PHE 19 HE1 PHE 19 -5.469 -1.710 -14.599
142 HE2 PHE 19 HE2 PHE 19 -5.237 1.440 -11.736
143 HZ PHE 19 HZ PHE 19 -6.585 -0.083 -13.124
144 H GLN 20 H GLN 20 -0.962 -3.948 -11.816
145 HA GLN 20 HA GLN 20 -1.281 -3.346 -9.108
146 HB2 GLN 20 2HB GLN 20 -3.569 -2.685 -10.598
147 HB3 GLN 20 3HB GLN 20 -3.956 -4.193 -9.780
148 HG2 GLN 20 2HG GLN 20 -3.043 -3.022 -7.673
149 HG3 GLN 20 3HG GLN 20 -3.249 -1.539 -8.603
150 HE21 GLN 20 1HE2 GLN 20 -4.610 -2.661 -6.183
151 HE22 GLN 20 2HE2 GLN 20 -6.295 -2.588 -6.557
152 H PHE 21 H PHE 21 -0.816 -5.166 -8.070
153 HA PHE 21 HA PHE 21 -1.458 -7.724 -9.386
154 HB2 PHE 21 2HB PHE 21 0.930 -6.950 -7.709
155 HB3 PHE 21 3HB PHE 21 0.536 -8.620 -8.104
156 HD1 PHE 21 HD1 PHE 21 0.006 -8.909 -10.752
157 HD2 PHE 21 HD2 PHE 21 2.551 -5.984 -8.996
158 HE1 PHE 21 HE1 PHE 21 1.221 -8.693 -12.880
159 HE2 PHE 21 HE2 PHE 21 3.769 -5.762 -11.121
160 HZ PHE 21 HZ PHE 21 3.105 -7.118 -13.067
161 H VAL 22 H VAL 22 -3.414 -8.045 -8.339
162 HA VAL 22 HA VAL 22 -3.627 -7.869 -5.474
163 HB VAL 22 HB VAL 22 -5.893 -8.861 -5.829
164 HG11 VAL 22 1HG1 VAL 22 -4.999 -6.389 -7.260
165 HG12 VAL 22 2HG1 VAL 22 -6.692 -6.886 -7.299
166 HG13 VAL 22 3HG1 VAL 22 -5.908 -6.543 -5.757
167 HG21 VAL 22 1HG2 VAL 22 -5.227 -10.148 -7.875
168 HG22 VAL 22 2HG2 VAL 22 -6.737 -9.249 -8.025
169 HG23 VAL 22 3HG2 VAL 22 -5.262 -8.626 -8.765
170 H PHE 23 H PHE 23 -2.943 -10.341 -7.819
171 HA PHE 23 HA PHE 23 -2.302 -12.199 -5.691
172 HB2 PHE 23 2HB PHE 23 -4.328 -12.917 -7.820
173 HB3 PHE 23 3HB PHE 23 -3.649 -14.032 -6.638
174 HD1 PHE 23 HD1 PHE 23 -4.020 -13.454 -4.155
175 HD2 PHE 23 HD2 PHE 23 -6.276 -11.765 -7.345
176 HE1 PHE 23 HE1 PHE 23 -5.813 -12.872 -2.574
177 HE2 PHE 23 HE2 PHE 23 -8.072 -11.179 -5.769
178 HZ PHE 23 HZ PHE 23 -7.841 -11.731 -3.380
179 H DBU 24 H DBU 24 -1.090 -10.678 -8.026
180 HB DBU 24 HB DBU 24 2.063 -12.404 -9.683
181 HG1 DBU 24 1HG DBU 24 1.295 -12.662 -6.750
182 HG2 DBU 24 2HG DBU 24 2.309 -11.284 -7.197
183 HG3 DBU 24 3HG DBU 24 2.852 -12.936 -7.542
184 H CYS 25 H CYS 25 -2.001 -10.945 -10.188
185 HA CYS 25 HA CYS 25 -1.078 -11.427 -12.934
186 HB2 CYS 25 2HB CYS 25 -3.969 -11.839 -12.365
187 HB3 CYS 25 3HB CYS 25 -2.938 -12.611 -13.565
188 H CYS 26 H CYS 26 -3.294 -10.506 -14.282
189 HA CYS 26 HA CYS 26 -3.927 -7.864 -13.230
190 HB2 CYS 26 2HB CYS 26 -1.751 -7.993 -14.779
191 HB3 CYS 26 3HB CYS 26 -2.970 -7.909 -16.047
192 H SER 27 H SER 27 -5.905 -7.165 -13.827
193 HA SER 27 HA SER 27 -7.224 -8.267 -16.166
194 HB2 SER 27 2HB SER 27 -7.938 -9.966 -14.720
195 HB3 SER 27 3HB SER 27 -8.085 -8.867 -13.348
196 HG SER 27 HG SER 27 -10.063 -8.488 -13.920
Start of MODEL 16
1 H1 LYS 1 H LYS 1 4.444 5.339 -6.697
2 HA LYS 1 HA LYS 1 3.117 5.898 -4.880
3 HB2 LYS 1 2HB LYS 1 0.840 6.841 -5.240
4 HB3 LYS 1 3HB LYS 1 2.118 7.787 -5.993
5 HG2 LYS 1 2HG LYS 1 1.535 7.066 -8.146
6 HG3 LYS 1 3HG LYS 1 0.546 5.742 -7.525
7 HD2 LYS 1 2HD LYS 1 -0.277 8.405 -6.611
8 HD3 LYS 1 3HD LYS 1 -0.413 8.158 -8.353
9 HE2 LYS 1 2HE LYS 1 -1.928 6.411 -8.111
10 HE3 LYS 1 3HE LYS 1 -1.461 6.109 -6.438
11 HZ1 LYS 1 1HZ LYS 1 -3.182 7.347 -5.845
12 HZ2 LYS 1 2HZ LYS 1 -3.498 7.802 -7.442
13 HZ3 LYS 1 3HZ LYS 1 -2.410 8.698 -6.507
14 H LYS 2 H LYS 2 3.361 3.376 -6.387
15 HA LYS 2 HA LYS 2 1.498 1.840 -4.917
16 HB2 LYS 2 2HB LYS 2 0.525 2.818 -7.390
17 HB3 LYS 2 3HB LYS 2 0.845 1.103 -7.611
18 HG2 LYS 2 2HG LYS 2 -0.662 0.491 -5.922
19 HG3 LYS 2 3HG LYS 2 -0.737 2.134 -5.280
20 HD2 LYS 2 2HD LYS 2 -1.634 1.515 -8.076
21 HD3 LYS 2 3HD LYS 2 -2.711 1.277 -6.698
22 HE2 LYS 2 2HE LYS 2 -2.135 3.690 -6.070
23 HE3 LYS 2 3HE LYS 2 -1.482 3.827 -7.702
24 HZ1 LYS 2 1HZ LYS 2 -3.634 4.531 -7.983
25 HZ2 LYS 2 2HZ LYS 2 -4.269 3.451 -6.847
26 HZ3 LYS 2 3HZ LYS 2 -3.787 2.890 -8.368
27 H LYS 3 H LYS 3 3.498 1.908 -7.847
28 HA LYS 3 HA LYS 3 5.118 0.511 -8.620
29 HB2 LYS 3 2HB LYS 3 5.339 0.461 -5.755
30 HB3 LYS 3 3HB LYS 3 5.733 -1.126 -6.402
31 HG2 LYS 3 2HG LYS 3 7.710 -0.426 -7.119
32 HG3 LYS 3 3HG LYS 3 6.992 0.959 -7.945
33 HD2 LYS 3 2HD LYS 3 8.270 2.068 -6.416
34 HD3 LYS 3 3HD LYS 3 6.802 1.863 -5.457
35 HE2 LYS 3 2HE LYS 3 8.418 -0.467 -5.171
36 HE3 LYS 3 3HE LYS 3 9.423 0.953 -4.887
37 HZ1 LYS 3 1HZ LYS 3 7.071 1.441 -3.550
38 HZ2 LYS 3 2HZ LYS 3 8.556 1.012 -2.862
39 HZ3 LYS 3 3HZ LYS 3 7.416 -0.184 -3.228
40 H SER 4 H SER 4 5.750 -1.940 -8.698
41 HA SER 4 HA SER 4 3.233 -3.425 -9.005
42 HB2 SER 4 2HB SER 4 4.567 -4.882 -10.554
43 HB3 SER 4 3HB SER 4 4.434 -3.205 -11.085
44 HG SER 4 HG SER 4 6.651 -4.589 -10.074
45 H GLY 5 H GLY 5 3.067 -5.581 -8.307
46 HA2 GLY 5 2HA GLY 5 4.642 -6.152 -5.941
47 HA3 GLY 5 3HA GLY 5 3.244 -7.052 -6.509
48 H VAL 6 H VAL 6 4.237 -7.481 -9.177
49 HA VAL 6 HA VAL 6 6.679 -9.034 -8.793
50 HB VAL 6 HB VAL 6 4.077 -10.246 -9.730
51 HG11 VAL 6 1HG1 VAL 6 6.842 -10.956 -10.310
52 HG12 VAL 6 2HG1 VAL 6 5.922 -12.279 -9.590
53 HG13 VAL 6 3HG1 VAL 6 5.348 -11.506 -11.068
54 HG21 VAL 6 1HG2 VAL 6 5.880 -11.045 -7.450
55 HG22 VAL 6 2HG2 VAL 6 4.425 -10.064 -7.272
56 HG23 VAL 6 3HG2 VAL 6 4.304 -11.726 -7.851
57 H ILE 7 H ILE 7 4.268 -9.339 -11.349
58 HA ILE 7 HA ILE 7 5.902 -7.731 -13.157
59 HB ILE 7 HB ILE 7 5.147 -10.589 -13.778
60 HG12 ILE 7 2HG1 ILE 7 7.879 -9.347 -13.391
61 HG13 ILE 7 3HG1 ILE 7 7.055 -10.348 -12.201
62 HG21 ILE 7 1HG2 ILE 7 6.668 -8.573 -15.426
63 HG22 ILE 7 2HG2 ILE 7 6.355 -10.252 -15.866
64 HG23 ILE 7 3HG2 ILE 7 5.016 -9.113 -15.725
65 HD11 ILE 7 1HD1 ILE 7 8.283 -11.124 -14.802
66 HD12 ILE 7 2HD1 ILE 7 8.476 -11.847 -13.205
67 HD13 ILE 7 3HD1 ILE 7 6.986 -12.099 -14.113
68 HA PRO 8 HA PRO 8 1.632 -6.640 -14.046
69 HB2 PRO 8 2HB PRO 8 2.260 -4.431 -15.494
70 HB3 PRO 8 3HB PRO 8 2.256 -4.452 -13.726
71 HG2 PRO 8 2HG PRO 8 4.562 -4.697 -15.619
72 HG3 PRO 8 3HG PRO 8 4.441 -3.759 -14.120
73 HD2 PRO 8 2HD PRO 8 5.697 -6.155 -14.241
74 HD3 PRO 8 3HD PRO 8 4.842 -5.597 -12.789
75 H DBB 9 H DBB 9 0.968 -8.229 -15.450
76 HA DBB 9 HA DBB 9 1.620 -7.805 -18.322
77 HB2 DBB 9 3HB DBB 9 -0.763 -9.364 -17.286
78 HG1 DBB 9 1HG DBB 9 -0.271 -6.413 -17.206
79 HG2 DBB 9 2HG DBB 9 -1.854 -6.944 -17.823
80 HG3 DBB 9 3HG DBB 9 -1.331 -7.419 -16.189
81 H VAL 10 H VAL 10 0.408 -10.480 -16.293
82 HA VAL 10 HA VAL 10 2.227 -12.283 -17.732
83 HB VAL 10 HB VAL 10 1.916 -12.110 -14.736
84 HG11 VAL 10 1HG1 VAL 10 2.133 -14.329 -14.698
85 HG12 VAL 10 2HG1 VAL 10 2.493 -14.401 -16.424
86 HG13 VAL 10 3HG1 VAL 10 3.783 -14.075 -15.265
87 HG21 VAL 10 1HG2 VAL 10 3.577 -10.605 -15.414
88 HG22 VAL 10 2HG2 VAL 10 4.467 -12.052 -14.940
89 HG23 VAL 10 3HG2 VAL 10 4.195 -11.704 -16.647
90 H DAL 11 H DAL 11 0.293 -13.045 -14.901
91 HA DAL 11 HA DAL 11 -2.158 -13.785 -15.670
92 HB1 DAL 11 2HB DAL 11 -0.880 -14.405 -13.493
93 HB2 DAL 11 3HB DAL 11 -2.131 -15.534 -14.064
94 H HIS 12 H HIS 12 -3.126 -15.085 -17.106
95 HA HIS 12 HA HIS 12 -1.451 -16.996 -18.595
96 HB2 HIS 12 2HB HIS 12 -4.384 -17.031 -17.906
97 HB3 HIS 12 3HB HIS 12 -3.715 -18.048 -19.178
98 HD1 HIS 12 HD1 HIS 12 -3.948 -17.716 -15.491
99 HD2 HIS 12 HD2 HIS 12 -2.012 -20.126 -18.267
100 HE1 HIS 12 HE1 HIS 12 -3.088 -19.687 -14.187
101 H ASP 13 H ASP 13 -3.805 -14.412 -18.849
102 HA ASP 13 HA ASP 13 -3.398 -14.382 -21.767
103 HB2 ASP 13 2HB ASP 13 -5.788 -14.512 -20.399
104 HB3 ASP 13 3HB ASP 13 -5.639 -12.793 -20.753
105 H CYS 14 H CYS 14 -4.069 -12.191 -19.034
106 HA CYS 14 HA CYS 14 -3.311 -10.104 -18.539
107 HB2 CYS 14 2HB CYS 14 -1.083 -10.950 -18.637
108 HB3 CYS 14 3HB CYS 14 -1.104 -10.990 -20.397
109 H HIS 15 H HIS 15 -3.688 -8.030 -19.216
110 HA HIS 15 HA HIS 15 -4.357 -7.688 -22.066
111 HB2 HIS 15 2HB HIS 15 -5.859 -6.997 -19.611
112 HB3 HIS 15 3HB HIS 15 -5.863 -5.778 -20.882
113 HD1 HIS 15 HD1 HIS 15 -7.001 -6.431 -23.142
114 HD2 HIS 15 HD2 HIS 15 -7.380 -9.260 -20.123
115 HE1 HIS 15 HE1 HIS 15 -8.800 -8.007 -23.920
116 H MET 16 H MET 16 -4.003 -5.488 -19.287
117 HA MET 16 HA MET 16 -1.557 -4.367 -20.032
118 HB2 MET 16 2HB MET 16 -2.438 -2.148 -20.894
119 HB3 MET 16 3HB MET 16 -2.526 -3.503 -22.012
120 HG2 MET 16 2HG MET 16 -4.726 -3.322 -22.189
121 HG3 MET 16 3HG MET 16 -4.932 -3.295 -20.439
122 HE1 MET 16 1HE MET 16 -6.036 -0.014 -23.081
123 HE2 MET 16 2HE MET 16 -5.105 -1.381 -23.693
124 HE3 MET 16 3HE MET 16 -6.607 -1.661 -22.811
125 H ASN 17 H ASN 17 -1.981 -4.917 -17.642
126 HA ASN 17 HA ASN 17 -2.359 -2.405 -16.257
127 HB2 ASN 17 2HB ASN 17 -4.026 -4.796 -15.452
128 HB3 ASN 17 3HB ASN 17 -4.044 -3.195 -14.717
129 HD21 ASN 17 1HD2 ASN 17 -5.266 -5.192 -17.187
130 HD22 ASN 17 2HD2 ASN 17 -6.282 -4.021 -17.952
131 H DAL 18 H DAL 18 -2.414 -3.293 -13.665
132 HA DAL 18 HA DAL 18 0.297 -4.385 -13.369
133 HB1 DAL 18 2HB DAL 18 -0.659 -6.481 -13.131
134 HB2 DAL 18 3HB DAL 18 -0.863 -5.893 -11.464
135 H PHE 19 H PHE 19 -2.516 -4.051 -11.211
136 HA PHE 19 HA PHE 19 -1.068 -1.916 -9.793
137 HB2 PHE 19 2HB PHE 19 -3.160 -1.010 -9.111
138 HB3 PHE 19 3HB PHE 19 -3.318 -1.371 -10.827
139 HD1 PHE 19 HD1 PHE 19 -4.391 -3.635 -11.438
140 HD2 PHE 19 HD2 PHE 19 -4.730 -1.803 -7.611
141 HE1 PHE 19 HE1 PHE 19 -6.391 -4.990 -10.970
142 HE2 PHE 19 HE2 PHE 19 -6.730 -3.156 -7.137
143 HZ PHE 19 HZ PHE 19 -7.563 -4.752 -8.817
144 H GLN 20 H GLN 20 -2.532 -5.038 -9.514
145 HA GLN 20 HA GLN 20 -1.293 -5.513 -6.994
146 HB2 GLN 20 2HB GLN 20 -4.081 -4.623 -7.043
147 HB3 GLN 20 3HB GLN 20 -3.851 -6.146 -6.195
148 HG2 GLN 20 2HG GLN 20 -1.802 -4.559 -5.249
149 HG3 GLN 20 3HG GLN 20 -3.163 -3.449 -5.395
150 HE21 GLN 20 1HE2 GLN 20 -4.597 -3.414 -3.809
151 HE22 GLN 20 2HE2 GLN 20 -4.754 -4.601 -2.564
152 H PHE 21 H PHE 21 -1.309 -7.701 -6.408
153 HA PHE 21 HA PHE 21 -2.337 -9.491 -8.506
154 HB2 PHE 21 2HB PHE 21 0.032 -9.746 -6.653
155 HB3 PHE 21 3HB PHE 21 -0.582 -11.093 -7.606
156 HD1 PHE 21 HD1 PHE 21 -0.122 -11.276 -9.921
157 HD2 PHE 21 HD2 PHE 21 0.979 -7.762 -7.787
158 HE1 PHE 21 HE1 PHE 21 1.236 -10.541 -11.837
159 HE2 PHE 21 HE2 PHE 21 2.338 -7.021 -9.699
160 HZ PHE 21 HZ PHE 21 2.467 -8.411 -11.729
161 H VAL 22 H VAL 22 -3.628 -11.185 -7.992
162 HA VAL 22 HA VAL 22 -4.482 -11.377 -5.183
163 HB VAL 22 HB VAL 22 -5.984 -12.339 -7.619
164 HG11 VAL 22 1HG1 VAL 22 -7.673 -11.768 -5.432
165 HG12 VAL 22 2HG1 VAL 22 -7.314 -13.339 -6.150
166 HG13 VAL 22 3HG1 VAL 22 -6.334 -12.734 -4.814
167 HG21 VAL 22 1HG2 VAL 22 -7.428 -10.247 -6.733
168 HG22 VAL 22 2HG2 VAL 22 -5.801 -9.678 -6.358
169 HG23 VAL 22 3HG2 VAL 22 -6.219 -10.126 -8.012
170 H PHE 23 H PHE 23 -3.068 -13.110 -7.812
171 HA PHE 23 HA PHE 23 -2.358 -15.297 -6.128
172 HB2 PHE 23 2HB PHE 23 -3.514 -16.964 -7.810
173 HB3 PHE 23 3HB PHE 23 -4.408 -16.310 -6.442
174 HD1 PHE 23 HD1 PHE 23 -3.547 -14.899 -9.784
175 HD2 PHE 23 HD2 PHE 23 -6.605 -16.035 -7.050
176 HE1 PHE 23 HE1 PHE 23 -5.249 -14.015 -11.326
177 HE2 PHE 23 HE2 PHE 23 -8.312 -15.155 -8.588
178 HZ PHE 23 HZ PHE 23 -7.635 -14.144 -10.729
179 H DBU 24 H DBU 24 -1.192 -13.313 -7.969
180 HB DBU 24 HB DBU 24 1.975 -14.593 -10.019
181 HG1 DBU 24 1HG DBU 24 1.299 -16.165 -7.651
182 HG2 DBU 24 2HG DBU 24 1.739 -14.534 -7.126
183 HG3 DBU 24 3HG DBU 24 2.872 -15.491 -8.098
184 H CYS 25 H CYS 25 -2.091 -12.991 -10.087
185 HA CYS 25 HA CYS 25 -1.037 -12.372 -12.762
186 HB2 CYS 25 2HB CYS 25 -3.938 -13.013 -12.441
187 HB3 CYS 25 3HB CYS 25 -2.907 -13.172 -13.859
188 H CYS 26 H CYS 26 -3.157 -10.987 -13.779
189 HA CYS 26 HA CYS 26 -3.920 -8.947 -11.845
190 HB2 CYS 26 2HB CYS 26 -1.639 -8.432 -13.041
191 HB3 CYS 26 3HB CYS 26 -2.674 -7.998 -14.397
192 H SER 27 H SER 27 -5.680 -7.668 -12.500
193 HA SER 27 HA SER 27 -7.669 -7.256 -13.525
194 HB2 SER 27 2HB SER 27 -5.733 -7.396 -15.604
195 HB3 SER 27 3HB SER 27 -7.194 -8.194 -16.184
196 HG SER 27 HG SER 27 -7.847 -6.228 -16.538
Start of MODEL 17
1 H1 LYS 1 H LYS 1 0.589 -1.157 0.098
2 HA LYS 1 HA LYS 1 0.004 0.198 -1.656
3 HB2 LYS 1 2HB LYS 1 0.187 2.041 0.714
4 HB3 LYS 1 3HB LYS 1 -0.343 2.629 -0.856
5 HG2 LYS 1 2HG LYS 1 -2.318 1.491 -0.776
6 HG3 LYS 1 3HG LYS 1 -1.669 0.216 0.258
7 HD2 LYS 1 2HD LYS 1 -1.467 2.434 1.857
8 HD3 LYS 1 3HD LYS 1 -2.963 2.741 0.970
9 HE2 LYS 1 2HE LYS 1 -3.799 1.524 2.708
10 HE3 LYS 1 3HE LYS 1 -3.423 0.212 1.593
11 HZ1 LYS 1 1HZ LYS 1 -1.213 0.941 3.275
12 HZ2 LYS 1 2HZ LYS 1 -1.870 -0.584 2.956
13 HZ3 LYS 1 3HZ LYS 1 -2.555 0.398 4.151
14 H LYS 2 H LYS 2 2.273 -0.334 -2.490
15 HA LYS 2 HA LYS 2 3.764 2.182 -2.859
16 HB2 LYS 2 2HB LYS 2 5.807 0.955 -3.001
17 HB3 LYS 2 3HB LYS 2 4.975 0.410 -1.551
18 HG2 LYS 2 2HG LYS 2 4.049 -1.411 -3.262
19 HG3 LYS 2 3HG LYS 2 5.583 -1.042 -4.052
20 HD2 LYS 2 2HD LYS 2 6.149 -2.777 -2.618
21 HD3 LYS 2 3HD LYS 2 6.596 -1.345 -1.688
22 HE2 LYS 2 2HE LYS 2 4.013 -1.664 -0.934
23 HE3 LYS 2 3HE LYS 2 4.487 -3.340 -1.207
24 HZ1 LYS 2 1HZ LYS 2 4.934 -1.946 1.061
25 HZ2 LYS 2 2HZ LYS 2 6.425 -1.814 0.275
26 HZ3 LYS 2 3HZ LYS 2 5.773 -3.341 0.600
27 H LYS 3 H LYS 3 5.188 2.007 -4.926
28 HA LYS 3 HA LYS 3 3.554 2.018 -7.151
29 HB2 LYS 3 2HB LYS 3 5.768 3.072 -7.090
30 HB3 LYS 3 3HB LYS 3 6.530 1.488 -7.052
31 HG2 LYS 3 2HG LYS 3 4.927 1.358 -9.285
32 HG3 LYS 3 3HG LYS 3 5.522 3.019 -9.303
33 HD2 LYS 3 2HD LYS 3 7.457 0.821 -8.763
34 HD3 LYS 3 3HD LYS 3 6.889 1.054 -10.418
35 HE2 LYS 3 2HE LYS 3 7.691 3.516 -9.035
36 HE3 LYS 3 3HE LYS 3 8.997 2.360 -9.291
37 HZ1 LYS 3 1HZ LYS 3 7.331 2.732 -11.602
38 HZ2 LYS 3 2HZ LYS 3 9.017 2.768 -11.469
39 HZ3 LYS 3 3HZ LYS 3 8.111 4.152 -11.114
40 H SER 4 H SER 4 2.375 0.371 -7.878
41 HA SER 4 HA SER 4 3.255 -2.362 -7.601
42 HB2 SER 4 2HB SER 4 1.091 -2.953 -8.544
43 HB3 SER 4 3HB SER 4 0.873 -1.709 -7.313
44 HG SER 4 HG SER 4 0.619 -0.188 -8.926
45 H GLY 5 H GLY 5 2.454 -3.661 -9.810
46 HA2 GLY 5 2HA GLY 5 2.698 -3.667 -12.215
47 HA3 GLY 5 3HA GLY 5 3.935 -2.430 -12.043
48 H VAL 6 H VAL 6 3.518 -5.519 -10.337
49 HA VAL 6 HA VAL 6 6.175 -6.214 -10.205
50 HB VAL 6 HB VAL 6 3.795 -8.056 -10.466
51 HG11 VAL 6 1HG1 VAL 6 6.624 -8.629 -10.400
52 HG12 VAL 6 2HG1 VAL 6 5.795 -9.333 -9.010
53 HG13 VAL 6 3HG1 VAL 6 5.261 -9.720 -10.646
54 HG21 VAL 6 1HG2 VAL 6 3.790 -6.468 -8.549
55 HG22 VAL 6 2HG2 VAL 6 3.841 -8.164 -8.067
56 HG23 VAL 6 3HG2 VAL 6 5.307 -7.186 -8.006
57 H ILE 7 H ILE 7 4.055 -8.073 -12.350
58 HA ILE 7 HA ILE 7 5.909 -7.670 -14.573
59 HB ILE 7 HB ILE 7 5.144 -10.406 -13.548
60 HG12 ILE 7 2HG1 ILE 7 6.942 -9.274 -12.264
61 HG13 ILE 7 3HG1 ILE 7 7.516 -10.703 -13.117
62 HG21 ILE 7 1HG2 ILE 7 6.650 -9.548 -16.009
63 HG22 ILE 7 2HG2 ILE 7 6.662 -11.194 -15.378
64 HG23 ILE 7 3HG2 ILE 7 5.150 -10.471 -15.930
65 HD11 ILE 7 1HD1 ILE 7 8.596 -8.140 -13.185
66 HD12 ILE 7 2HD1 ILE 7 9.033 -9.514 -14.201
67 HD13 ILE 7 3HD1 ILE 7 7.818 -8.360 -14.752
68 HA PRO 8 HA PRO 8 1.793 -7.373 -16.354
69 HB2 PRO 8 2HB PRO 8 2.641 -6.322 -18.709
70 HB3 PRO 8 3HB PRO 8 2.458 -5.359 -17.238
71 HG2 PRO 8 2HG PRO 8 4.934 -6.550 -18.427
72 HG3 PRO 8 3HG PRO 8 4.694 -4.941 -17.721
73 HD2 PRO 8 2HD PRO 8 5.871 -6.968 -16.364
74 HD3 PRO 8 3HD PRO 8 4.894 -5.722 -15.561
75 H DBB 9 H DBB 9 1.183 -9.466 -16.732
76 HA DBB 9 HA DBB 9 2.218 -10.734 -19.221
77 HB2 DBB 9 3HB DBB 9 -0.006 -11.875 -19.304
78 HG1 DBB 9 1HG DBB 9 -1.310 -11.908 -17.462
79 HG2 DBB 9 2HG DBB 9 -0.137 -10.875 -16.611
80 HG3 DBB 9 3HG DBB 9 -1.462 -10.136 -17.541
81 H VAL 10 H VAL 10 1.626 -11.041 -15.821
82 HA VAL 10 HA VAL 10 3.068 -13.567 -15.802
83 HB VAL 10 HB VAL 10 3.741 -11.849 -14.202
84 HG11 VAL 10 1HG1 VAL 10 1.576 -10.753 -13.917
85 HG12 VAL 10 2HG1 VAL 10 0.972 -12.163 -13.045
86 HG13 VAL 10 3HG1 VAL 10 2.277 -11.193 -12.361
87 HG21 VAL 10 1HG2 VAL 10 2.665 -13.651 -12.225
88 HG22 VAL 10 2HG2 VAL 10 3.228 -14.535 -13.643
89 HG23 VAL 10 3HG2 VAL 10 4.328 -13.459 -12.781
90 H DAL 11 H DAL 11 -0.153 -12.366 -15.373
91 HA DAL 11 HA DAL 11 -2.183 -13.393 -14.926
92 HB1 DAL 11 2HB DAL 11 -0.832 -13.968 -12.770
93 HB2 DAL 11 3HB DAL 11 -2.269 -14.949 -13.142
94 H HIS 12 H HIS 12 -3.420 -15.329 -15.484
95 HA HIS 12 HA HIS 12 -2.016 -17.068 -17.402
96 HB2 HIS 12 2HB HIS 12 -3.699 -17.720 -15.249
97 HB3 HIS 12 3HB HIS 12 -4.654 -18.009 -16.700
98 HD1 HIS 12 HD1 HIS 12 -2.943 -19.351 -18.613
99 HD2 HIS 12 HD2 HIS 12 -2.461 -19.999 -14.538
100 HE1 HIS 12 HE1 HIS 12 -1.743 -21.552 -18.420
101 H ASP 13 H ASP 13 -4.510 -14.731 -17.000
102 HA ASP 13 HA ASP 13 -5.699 -15.325 -19.599
103 HB2 ASP 13 2HB ASP 13 -6.434 -13.203 -17.571
104 HB3 ASP 13 3HB ASP 13 -7.351 -13.613 -19.019
105 H CYS 14 H CYS 14 -4.705 -12.287 -18.018
106 HA CYS 14 HA CYS 14 -3.602 -10.457 -18.796
107 HB2 CYS 14 2HB CYS 14 -1.969 -12.377 -19.464
108 HB3 CYS 14 3HB CYS 14 -2.532 -12.054 -21.100
109 H HIS 15 H HIS 15 -5.008 -8.998 -19.535
110 HA HIS 15 HA HIS 15 -5.803 -9.166 -22.357
111 HB2 HIS 15 2HB HIS 15 -7.643 -9.888 -20.705
112 HB3 HIS 15 3HB HIS 15 -7.719 -8.189 -20.249
113 HD1 HIS 15 HD1 HIS 15 -7.096 -8.961 -23.823
114 HD2 HIS 15 HD2 HIS 15 -10.325 -8.075 -21.364
115 HE1 HIS 15 HE1 HIS 15 -8.996 -8.417 -25.378
116 H MET 16 H MET 16 -3.751 -7.637 -20.887
117 HA MET 16 HA MET 16 -2.843 -5.552 -20.954
118 HB2 MET 16 2HB MET 16 -4.498 -5.700 -23.218
119 HB3 MET 16 3HB MET 16 -4.849 -4.143 -22.479
120 HG2 MET 16 2HG MET 16 -3.054 -3.346 -23.492
121 HG3 MET 16 3HG MET 16 -2.077 -4.350 -22.424
122 HE1 MET 16 1HE MET 16 -4.549 -5.066 -25.268
123 HE2 MET 16 2HE MET 16 -3.481 -3.997 -26.177
124 HE3 MET 16 3HE MET 16 -3.547 -5.716 -26.566
125 H ASN 17 H ASN 17 -2.908 -4.478 -19.098
126 HA ASN 17 HA ASN 17 -4.844 -2.554 -18.486
127 HB2 ASN 17 2HB ASN 17 -5.460 -5.260 -17.572
128 HB3 ASN 17 3HB ASN 17 -5.411 -4.092 -16.255
129 HD21 ASN 17 1HD2 ASN 17 -6.523 -1.930 -16.941
130 HD22 ASN 17 2HD2 ASN 17 -8.096 -2.125 -17.628
131 H DAL 18 H DAL 18 -3.307 -4.881 -16.282
132 HA DAL 18 HA DAL 18 -0.935 -3.507 -15.714
133 HB1 DAL 18 2HB DAL 18 -1.008 -5.642 -14.773
134 HB2 DAL 18 3HB DAL 18 -1.343 -4.640 -13.341
135 H PHE 19 H PHE 19 -3.695 -3.621 -13.466
136 HA PHE 19 HA PHE 19 -3.159 -0.795 -12.827
137 HB2 PHE 19 2HB PHE 19 -5.487 -0.409 -12.502
138 HB3 PHE 19 3HB PHE 19 -5.335 -1.254 -14.039
139 HD1 PHE 19 HD1 PHE 19 -7.070 -1.131 -11.007
140 HD2 PHE 19 HD2 PHE 19 -5.523 -3.879 -13.865
141 HE1 PHE 19 HE1 PHE 19 -8.656 -2.839 -10.217
142 HE2 PHE 19 HE2 PHE 19 -7.106 -5.591 -13.080
143 HZ PHE 19 HZ PHE 19 -8.676 -5.072 -11.255
144 H GLN 20 H GLN 20 -3.585 -4.001 -11.671
145 HA GLN 20 HA GLN 20 -2.512 -3.481 -9.148
146 HB2 GLN 20 2HB GLN 20 -5.327 -2.919 -9.349
147 HB3 GLN 20 3HB GLN 20 -5.065 -4.263 -8.246
148 HG2 GLN 20 2HG GLN 20 -3.131 -2.414 -7.532
149 HG3 GLN 20 3HG GLN 20 -4.559 -1.442 -7.882
150 HE21 GLN 20 1HE2 GLN 20 -2.970 -2.854 -5.466
151 HE22 GLN 20 2HE2 GLN 20 -4.272 -3.212 -4.389
152 H PHE 21 H PHE 21 -1.977 -5.355 -8.108
153 HA PHE 21 HA PHE 21 -2.704 -7.828 -9.498
154 HB2 PHE 21 2HB PHE 21 -0.449 -7.141 -7.612
155 HB3 PHE 21 3HB PHE 21 -0.781 -8.785 -8.147
156 HD1 PHE 21 HD1 PHE 21 0.169 -5.407 -9.300
157 HD2 PHE 21 HD2 PHE 21 -0.069 -9.548 -10.255
158 HE1 PHE 21 HE1 PHE 21 1.518 -5.016 -11.321
159 HE2 PHE 21 HE2 PHE 21 1.280 -9.164 -12.276
160 HZ PHE 21 HZ PHE 21 2.076 -6.895 -12.811
161 H VAL 22 H VAL 22 -4.349 -8.927 -8.675
162 HA VAL 22 HA VAL 22 -5.192 -8.589 -5.943
163 HB VAL 22 HB VAL 22 -6.889 -10.367 -6.560
164 HG11 VAL 22 1HG1 VAL 22 -8.227 -8.847 -7.890
165 HG12 VAL 22 2HG1 VAL 22 -7.341 -7.946 -6.657
166 HG13 VAL 22 3HG1 VAL 22 -6.788 -7.928 -8.332
167 HG21 VAL 22 1HG2 VAL 22 -5.364 -11.251 -8.423
168 HG22 VAL 22 2HG2 VAL 22 -7.092 -11.137 -8.758
169 HG23 VAL 22 3HG2 VAL 22 -5.989 -9.912 -9.386
170 H PHE 23 H PHE 23 -3.199 -10.789 -7.693
171 HA PHE 23 HA PHE 23 -2.299 -12.081 -5.344
172 HB2 PHE 23 2HB PHE 23 -3.091 -14.424 -6.232
173 HB3 PHE 23 3HB PHE 23 -4.161 -13.449 -5.231
174 HD1 PHE 23 HD1 PHE 23 -3.295 -13.616 -8.861
175 HD2 PHE 23 HD2 PHE 23 -6.346 -13.505 -5.895
176 HE1 PHE 23 HE1 PHE 23 -5.009 -13.696 -10.625
177 HE2 PHE 23 HE2 PHE 23 -8.064 -13.585 -7.654
178 HZ PHE 23 HZ PHE 23 -7.397 -13.681 -10.023
179 H DBU 24 H DBU 24 -1.079 -10.752 -7.466
180 HB DBU 24 HB DBU 24 2.271 -12.087 -9.002
181 HG1 DBU 24 1HG DBU 24 1.355 -11.430 -6.122
182 HG2 DBU 24 2HG DBU 24 2.920 -11.086 -6.869
183 HG3 DBU 24 3HG DBU 24 2.454 -12.758 -6.514
184 H CYS 25 H CYS 25 -1.912 -11.251 -9.762
185 HA CYS 25 HA CYS 25 -0.869 -12.084 -12.389
186 HB2 CYS 25 2HB CYS 25 -3.700 -12.399 -11.366
187 HB3 CYS 25 3HB CYS 25 -3.143 -12.818 -12.983
188 H CYS 26 H CYS 26 -0.896 -10.558 -13.901
189 HA CYS 26 HA CYS 26 -2.948 -8.715 -14.346
190 HB2 CYS 26 2HB CYS 26 -1.600 -7.941 -12.122
191 HB3 CYS 26 3HB CYS 26 -0.665 -7.114 -13.364
192 H SER 27 H SER 27 -2.626 -7.522 -16.219
193 HA SER 27 HA SER 27 -0.451 -8.445 -17.881
194 HB2 SER 27 2HB SER 27 -2.707 -8.275 -18.821
195 HB3 SER 27 3HB SER 27 -2.730 -6.544 -18.488
196 HG SER 27 HG SER 27 -0.608 -7.531 -19.999
Start of MODEL 18
1 H1 LYS 1 H LYS 1 3.077 2.106 -8.836
2 HA LYS 1 HA LYS 1 4.790 3.309 -10.673
3 HB2 LYS 1 2HB LYS 1 5.024 5.560 -9.875
4 HB3 LYS 1 3HB LYS 1 3.328 5.294 -10.255
5 HG2 LYS 1 2HG LYS 1 2.993 4.809 -7.794
6 HG3 LYS 1 3HG LYS 1 4.622 5.443 -7.550
7 HD2 LYS 1 2HD LYS 1 3.922 7.555 -8.625
8 HD3 LYS 1 3HD LYS 1 2.284 6.915 -8.767
9 HE2 LYS 1 2HE LYS 1 2.351 6.594 -6.250
10 HE3 LYS 1 3HE LYS 1 3.819 7.570 -6.263
11 HZ1 LYS 1 1HZ LYS 1 2.584 9.389 -6.320
12 HZ2 LYS 1 2HZ LYS 1 1.177 8.453 -6.252
13 HZ3 LYS 1 3HZ LYS 1 1.832 8.887 -7.750
14 H LYS 2 H LYS 2 6.897 3.899 -9.716
15 HA LYS 2 HA LYS 2 8.652 3.553 -8.305
16 HB2 LYS 2 2HB LYS 2 6.417 3.969 -6.558
17 HB3 LYS 2 3HB LYS 2 7.453 2.722 -5.876
18 HG2 LYS 2 2HG LYS 2 8.953 4.222 -5.235
19 HG3 LYS 2 3HG LYS 2 9.025 4.929 -6.851
20 HD2 LYS 2 2HD LYS 2 6.592 5.575 -5.343
21 HD3 LYS 2 3HD LYS 2 8.082 6.200 -4.632
22 HE2 LYS 2 2HE LYS 2 7.466 6.554 -7.548
23 HE3 LYS 2 3HE LYS 2 6.835 7.667 -6.335
24 HZ1 LYS 2 1HZ LYS 2 8.954 8.385 -5.778
25 HZ2 LYS 2 2HZ LYS 2 9.043 8.231 -7.460
26 HZ3 LYS 2 3HZ LYS 2 9.717 7.040 -6.465
27 H LYS 3 H LYS 3 6.328 1.289 -6.857
28 HA LYS 3 HA LYS 3 7.159 -1.015 -8.200
29 HB2 LYS 3 2HB LYS 3 8.944 -0.137 -6.078
30 HB3 LYS 3 3HB LYS 3 8.310 -1.750 -5.774
31 HG2 LYS 3 2HG LYS 3 9.214 -1.362 -8.519
32 HG3 LYS 3 3HG LYS 3 10.489 -1.150 -7.315
33 HD2 LYS 3 2HD LYS 3 8.750 -3.472 -6.864
34 HD3 LYS 3 3HD LYS 3 9.704 -3.545 -8.347
35 HE2 LYS 3 2HE LYS 3 11.721 -3.482 -7.200
36 HE3 LYS 3 3HE LYS 3 10.993 -2.777 -5.758
37 HZ1 LYS 3 1HZ LYS 3 10.995 -4.837 -4.958
38 HZ2 LYS 3 2HZ LYS 3 11.326 -5.529 -6.465
39 HZ3 LYS 3 3HZ LYS 3 9.730 -5.174 -6.030
40 H SER 4 H SER 4 6.695 -3.053 -6.710
41 HA SER 4 HA SER 4 4.828 -2.725 -4.596
42 HB2 SER 4 2HB SER 4 2.791 -2.957 -5.601
43 HB3 SER 4 3HB SER 4 3.632 -2.195 -6.951
44 HG SER 4 HG SER 4 2.417 -4.445 -7.051
45 H GLY 5 H GLY 5 3.485 -4.987 -4.481
46 HA2 GLY 5 2HA GLY 5 5.528 -6.958 -4.097
47 HA3 GLY 5 3HA GLY 5 3.809 -7.167 -3.797
48 H VAL 6 H VAL 6 2.677 -6.785 -6.225
49 HA VAL 6 HA VAL 6 3.801 -9.012 -7.783
50 HB VAL 6 HB VAL 6 1.079 -8.127 -8.446
51 HG11 VAL 6 1HG1 VAL 6 1.195 -10.841 -7.705
52 HG12 VAL 6 2HG1 VAL 6 1.156 -10.162 -9.333
53 HG13 VAL 6 3HG1 VAL 6 2.702 -10.481 -8.547
54 HG21 VAL 6 1HG2 VAL 6 1.763 -9.128 -5.699
55 HG22 VAL 6 2HG2 VAL 6 0.766 -7.746 -6.152
56 HG23 VAL 6 3HG2 VAL 6 0.172 -9.385 -6.415
57 H ILE 7 H ILE 7 2.546 -8.697 -10.167
58 HA ILE 7 HA ILE 7 3.193 -6.009 -11.131
59 HB ILE 7 HB ILE 7 4.308 -8.539 -12.348
60 HG12 ILE 7 2HG1 ILE 7 5.783 -6.165 -11.199
61 HG13 ILE 7 3HG1 ILE 7 5.449 -7.632 -10.286
62 HG21 ILE 7 1HG2 ILE 7 4.376 -5.679 -13.285
63 HG22 ILE 7 2HG2 ILE 7 5.450 -6.933 -13.903
64 HG23 ILE 7 3HG2 ILE 7 3.706 -7.078 -14.125
65 HD11 ILE 7 1HD1 ILE 7 7.292 -8.534 -11.094
66 HD12 ILE 7 2HD1 ILE 7 6.644 -8.399 -12.729
67 HD13 ILE 7 3HD1 ILE 7 7.599 -7.082 -12.047
68 HA PRO 8 HA PRO 8 -0.717 -6.895 -13.106
69 HB2 PRO 8 2HB PRO 8 -1.013 -4.429 -14.202
70 HB3 PRO 8 3HB PRO 8 -1.338 -4.769 -12.498
71 HG2 PRO 8 2HG PRO 8 1.092 -3.557 -13.757
72 HG3 PRO 8 3HG PRO 8 0.239 -3.074 -12.279
73 HD2 PRO 8 2HD PRO 8 2.519 -4.536 -12.234
74 HD3 PRO 8 3HD PRO 8 1.244 -4.717 -11.013
75 H DBB 9 H DBB 9 -0.321 -8.295 -14.762
76 HA DBB 9 HA DBB 9 0.809 -7.157 -17.274
77 HB2 DBB 9 3HB DBB 9 -1.154 -9.461 -17.194
78 HG1 DBB 9 1HG DBB 9 -2.874 -7.557 -17.717
79 HG2 DBB 9 2HG DBB 9 -2.430 -7.859 -16.020
80 HG3 DBB 9 3HG DBB 9 -1.701 -6.496 -16.900
81 H VAL 10 H VAL 10 0.470 -9.965 -15.163
82 HA VAL 10 HA VAL 10 2.753 -11.206 -16.558
83 HB VAL 10 HB VAL 10 3.475 -12.122 -14.375
84 HG11 VAL 10 1HG1 VAL 10 4.146 -9.804 -15.420
85 HG12 VAL 10 2HG1 VAL 10 3.346 -9.174 -13.979
86 HG13 VAL 10 3HG1 VAL 10 4.713 -10.276 -13.819
87 HG21 VAL 10 1HG2 VAL 10 1.138 -10.519 -13.409
88 HG22 VAL 10 2HG2 VAL 10 1.593 -12.177 -13.015
89 HG23 VAL 10 3HG2 VAL 10 2.515 -10.828 -12.351
90 H DAL 11 H DAL 11 -0.449 -11.509 -15.784
91 HA DAL 11 HA DAL 11 -1.977 -13.253 -15.784
92 HB1 DAL 11 2HB DAL 11 -1.399 -15.267 -14.616
93 HB2 DAL 11 3HB DAL 11 0.336 -15.039 -14.936
94 H HIS 12 H HIS 12 -2.716 -14.560 -17.368
95 HA HIS 12 HA HIS 12 -0.790 -15.794 -19.200
96 HB2 HIS 12 2HB HIS 12 -3.781 -16.214 -19.053
97 HB3 HIS 12 3HB HIS 12 -2.625 -17.172 -19.973
98 HD1 HIS 12 HD1 HIS 12 -0.573 -18.044 -18.098
99 HD2 HIS 12 HD2 HIS 12 -4.525 -17.622 -16.885
100 HE1 HIS 12 HE1 HIS 12 -0.804 -19.480 -16.046
101 H ASP 13 H ASP 13 -0.208 -13.881 -20.311
102 HA ASP 13 HA ASP 13 -0.299 -12.460 -22.088
103 HB2 ASP 13 2HB ASP 13 -1.529 -14.537 -23.068
104 HB3 ASP 13 3HB ASP 13 -2.980 -13.558 -22.874
105 H CYS 14 H CYS 14 -0.840 -10.361 -22.198
106 HA CYS 14 HA CYS 14 -3.447 -9.366 -21.635
107 HB2 CYS 14 2HB CYS 14 -3.064 -8.225 -19.577
108 HB3 CYS 14 3HB CYS 14 -2.559 -9.893 -19.327
109 H HIS 15 H HIS 15 -3.641 -7.112 -22.025
110 HA HIS 15 HA HIS 15 -1.377 -6.023 -23.547
111 HB2 HIS 15 2HB HIS 15 -3.647 -6.342 -24.648
112 HB3 HIS 15 3HB HIS 15 -4.230 -5.041 -23.613
113 HD1 HIS 15 HD1 HIS 15 -1.159 -3.712 -24.128
114 HD2 HIS 15 HD2 HIS 15 -4.265 -4.475 -26.780
115 HE1 HIS 15 HE1 HIS 15 -0.769 -2.175 -26.081
116 H MET 16 H MET 16 -4.087 -4.579 -21.735
117 HA MET 16 HA MET 16 -2.190 -3.066 -20.115
118 HB2 MET 16 2HB MET 16 -3.974 -1.920 -22.184
119 HB3 MET 16 3HB MET 16 -3.921 -1.068 -20.646
120 HG2 MET 16 2HG MET 16 -1.267 -1.738 -21.535
121 HG3 MET 16 3HG MET 16 -2.142 -0.841 -22.774
122 HE1 MET 16 1HE MET 16 0.011 0.178 -19.286
123 HE2 MET 16 2HE MET 16 0.320 -0.638 -20.819
124 HE3 MET 16 3HE MET 16 0.504 1.112 -20.699
125 H ASN 17 H ASN 17 -2.858 -4.038 -18.249
126 HA ASN 17 HA ASN 17 -5.414 -3.181 -17.200
127 HB2 ASN 17 2HB ASN 17 -4.766 -6.134 -17.291
128 HB3 ASN 17 3HB ASN 17 -6.216 -5.391 -16.621
129 HD21 ASN 17 1HD2 ASN 17 -7.747 -4.486 -18.034
130 HD22 ASN 17 2HD2 ASN 17 -7.819 -4.953 -19.696
131 H DAL 18 H DAL 18 -5.553 -4.688 -14.931
132 HA DAL 18 HA DAL 18 -3.037 -3.958 -13.520
133 HB1 DAL 18 2HB DAL 18 -2.731 -6.194 -13.215
134 HB2 DAL 18 3HB DAL 18 -4.077 -6.074 -12.057
135 H PHE 19 H PHE 19 -6.200 -5.321 -12.608
136 HA PHE 19 HA PHE 19 -6.814 -2.854 -11.158
137 HB2 PHE 19 2HB PHE 19 -9.095 -3.657 -11.055
138 HB3 PHE 19 3HB PHE 19 -8.514 -3.803 -12.710
139 HD1 PHE 19 HD1 PHE 19 -7.963 -6.011 -13.640
140 HD2 PHE 19 HD2 PHE 19 -9.689 -5.571 -9.774
141 HE1 PHE 19 HE1 PHE 19 -8.581 -8.393 -13.648
142 HE2 PHE 19 HE2 PHE 19 -10.309 -7.952 -9.776
143 HZ PHE 19 HZ PHE 19 -9.755 -9.366 -11.714
144 H GLN 20 H GLN 20 -6.296 -6.294 -10.667
145 HA GLN 20 HA GLN 20 -5.381 -6.024 -8.046
146 HB2 GLN 20 2HB GLN 20 -8.115 -5.732 -8.096
147 HB3 GLN 20 3HB GLN 20 -7.926 -7.442 -7.732
148 HG2 GLN 20 2HG GLN 20 -6.931 -7.048 -5.711
149 HG3 GLN 20 3HG GLN 20 -6.318 -5.469 -6.197
150 HE21 GLN 20 1HE2 GLN 20 -7.256 -3.844 -5.212
151 HE22 GLN 20 2HE2 GLN 20 -8.889 -3.791 -4.650
152 H PHE 21 H PHE 21 -4.520 -7.925 -7.271
153 HA PHE 21 HA PHE 21 -4.634 -10.184 -9.134
154 HB2 PHE 21 2HB PHE 21 -2.683 -9.810 -6.861
155 HB3 PHE 21 3HB PHE 21 -2.532 -10.883 -8.249
156 HD1 PHE 21 HD1 PHE 21 -2.534 -7.339 -7.206
157 HD2 PHE 21 HD2 PHE 21 -1.570 -10.140 -10.262
158 HE1 PHE 21 HE1 PHE 21 -1.293 -5.590 -8.413
159 HE2 PHE 21 HE2 PHE 21 -0.327 -8.397 -11.473
160 HZ PHE 21 HZ PHE 21 -0.186 -6.119 -10.548
161 H VAL 22 H VAL 22 -5.719 -11.965 -8.631
162 HA VAL 22 HA VAL 22 -6.942 -12.236 -6.032
163 HB VAL 22 HB VAL 22 -7.036 -14.197 -8.325
164 HG11 VAL 22 1HG1 VAL 22 -8.119 -14.187 -5.675
165 HG12 VAL 22 2HG1 VAL 22 -9.432 -14.141 -6.852
166 HG13 VAL 22 3HG1 VAL 22 -8.232 -15.431 -6.920
167 HG21 VAL 22 1HG2 VAL 22 -8.869 -11.874 -7.736
168 HG22 VAL 22 2HG2 VAL 22 -7.763 -12.007 -9.103
169 HG23 VAL 22 3HG2 VAL 22 -9.137 -13.104 -8.971
170 H PHE 23 H PHE 23 -4.903 -14.388 -8.022
171 HA PHE 23 HA PHE 23 -3.789 -15.475 -5.521
172 HB2 PHE 23 2HB PHE 23 -4.233 -17.026 -8.078
173 HB3 PHE 23 3HB PHE 23 -3.654 -17.664 -6.543
174 HD1 PHE 23 HD1 PHE 23 -5.439 -16.617 -4.574
175 HD2 PHE 23 HD2 PHE 23 -6.296 -17.919 -8.535
176 HE1 PHE 23 HE1 PHE 23 -7.755 -17.114 -3.906
177 HE2 PHE 23 HE2 PHE 23 -8.613 -18.417 -7.874
178 HZ PHE 23 HZ PHE 23 -9.345 -18.014 -5.557
179 H DBU 24 H DBU 24 -2.888 -13.329 -7.417
180 HB DBU 24 HB DBU 24 1.127 -13.510 -8.006
181 HG1 DBU 24 1HG DBU 24 -0.370 -14.577 -5.532
182 HG2 DBU 24 2HG DBU 24 1.297 -13.998 -5.656
183 HG3 DBU 24 3HG DBU 24 0.840 -15.555 -6.371
184 H CYS 25 H CYS 25 -2.234 -14.297 -10.122
185 HA CYS 25 HA CYS 25 -0.849 -12.480 -11.893
186 HB2 CYS 25 2HB CYS 25 -3.082 -14.465 -12.352
187 HB3 CYS 25 3HB CYS 25 -2.377 -13.477 -13.627
188 H CYS 26 H CYS 26 -2.602 -11.547 -13.647
189 HA CYS 26 HA CYS 26 -4.344 -9.799 -12.041
190 HB2 CYS 26 2HB CYS 26 -2.512 -8.645 -13.231
191 HB3 CYS 26 3HB CYS 26 -3.118 -9.278 -14.758
192 H SER 27 H SER 27 -6.107 -11.253 -12.080
193 HA SER 27 HA SER 27 -7.740 -10.998 -14.449
194 HB2 SER 27 2HB SER 27 -8.178 -13.456 -14.601
195 HB3 SER 27 3HB SER 27 -6.531 -13.007 -15.044
196 HG SER 27 HG SER 27 -7.158 -14.811 -13.342
Start of MODEL 19
1 H1 LYS 1 H LYS 1 6.424 -1.214 -2.790
2 HA LYS 1 HA LYS 1 4.112 0.175 -2.495
3 HB2 LYS 1 2HB LYS 1 6.426 1.679 -1.374
4 HB3 LYS 1 3HB LYS 1 5.240 2.582 -2.308
5 HG2 LYS 1 2HG LYS 1 3.483 1.947 -0.817
6 HG3 LYS 1 3HG LYS 1 4.550 0.833 0.042
7 HD2 LYS 1 2HD LYS 1 5.995 2.952 0.461
8 HD3 LYS 1 3HD LYS 1 4.511 3.826 0.075
9 HE2 LYS 1 2HE LYS 1 3.965 1.679 1.908
10 HE3 LYS 1 3HE LYS 1 5.251 2.706 2.536
11 HZ1 LYS 1 1HZ LYS 1 2.472 3.431 1.869
12 HZ2 LYS 1 2HZ LYS 1 3.679 4.614 1.910
13 HZ3 LYS 1 3HZ LYS 1 3.330 3.714 3.299
14 H LYS 2 H LYS 2 4.205 -0.656 -4.652
15 HA LYS 2 HA LYS 2 5.647 1.127 -6.504
16 HB2 LYS 2 2HB LYS 2 5.128 -1.838 -6.743
17 HB3 LYS 2 3HB LYS 2 5.666 -0.841 -8.088
18 HG2 LYS 2 2HG LYS 2 7.775 -0.658 -7.292
19 HG3 LYS 2 3HG LYS 2 7.260 -0.692 -5.604
20 HD2 LYS 2 2HD LYS 2 7.215 -2.994 -5.525
21 HD3 LYS 2 3HD LYS 2 6.959 -3.153 -7.265
22 HE2 LYS 2 2HE LYS 2 9.189 -2.915 -7.751
23 HE3 LYS 2 3HE LYS 2 9.515 -1.969 -6.299
24 HZ1 LYS 2 1HZ LYS 2 10.175 -4.541 -6.593
25 HZ2 LYS 2 2HZ LYS 2 8.676 -4.699 -5.826
26 HZ3 LYS 2 3HZ LYS 2 9.909 -3.803 -5.094
27 H LYS 3 H LYS 3 4.613 1.484 -8.566
28 HA LYS 3 HA LYS 3 1.961 2.236 -8.413
29 HB2 LYS 3 2HB LYS 3 3.931 1.878 -10.570
30 HB3 LYS 3 3HB LYS 3 2.254 1.779 -11.091
31 HG2 LYS 3 2HG LYS 3 3.282 4.056 -9.427
32 HG3 LYS 3 3HG LYS 3 3.362 4.056 -11.191
33 HD2 LYS 3 2HD LYS 3 0.982 3.917 -11.368
34 HD3 LYS 3 3HD LYS 3 0.815 3.638 -9.633
35 HE2 LYS 3 2HE LYS 3 0.305 5.873 -9.767
36 HE3 LYS 3 3HE LYS 3 2.038 5.945 -9.451
37 HZ1 LYS 3 1HZ LYS 3 0.762 7.166 -11.504
38 HZ2 LYS 3 2HZ LYS 3 1.397 5.786 -12.246
39 HZ3 LYS 3 3HZ LYS 3 2.423 6.856 -11.433
40 H SER 4 H SER 4 3.289 -0.714 -9.898
41 HA SER 4 HA SER 4 0.600 -1.798 -10.193
42 HB2 SER 4 2HB SER 4 3.183 -3.175 -10.927
43 HB3 SER 4 3HB SER 4 1.566 -3.488 -11.557
44 HG SER 4 HG SER 4 2.956 -1.042 -11.913
45 H GLY 5 H GLY 5 3.685 -3.093 -8.939
46 HA2 GLY 5 2HA GLY 5 3.380 -3.689 -6.432
47 HA3 GLY 5 3HA GLY 5 2.132 -4.748 -7.071
48 H VAL 6 H VAL 6 3.101 -6.000 -9.137
49 HA VAL 6 HA VAL 6 5.689 -7.131 -8.292
50 HB VAL 6 HB VAL 6 3.282 -8.642 -9.318
51 HG11 VAL 6 1HG1 VAL 6 4.977 -9.850 -10.274
52 HG12 VAL 6 2HG1 VAL 6 6.148 -9.398 -9.035
53 HG13 VAL 6 3HG1 VAL 6 4.912 -10.606 -8.682
54 HG21 VAL 6 1HG2 VAL 6 3.241 -7.959 -6.924
55 HG22 VAL 6 2HG2 VAL 6 3.247 -9.706 -7.166
56 HG23 VAL 6 3HG2 VAL 6 4.727 -8.877 -6.681
57 H ILE 7 H ILE 7 3.645 -8.034 -11.021
58 HA ILE 7 HA ILE 7 5.464 -6.711 -12.886
59 HB ILE 7 HB ILE 7 4.842 -9.661 -13.071
60 HG12 ILE 7 2HG1 ILE 7 7.489 -8.299 -12.533
61 HG13 ILE 7 3HG1 ILE 7 6.492 -9.054 -11.294
62 HG21 ILE 7 1HG2 ILE 7 4.993 -8.603 -15.250
63 HG22 ILE 7 2HG2 ILE 7 6.538 -7.878 -14.812
64 HG23 ILE 7 3HG2 ILE 7 6.400 -9.628 -14.969
65 HD11 ILE 7 1HD1 ILE 7 6.735 -11.207 -12.423
66 HD12 ILE 7 2HD1 ILE 7 7.753 -10.444 -13.645
67 HD13 ILE 7 3HD1 ILE 7 8.293 -10.520 -11.968
68 HA PRO 8 HA PRO 8 1.293 -6.017 -14.445
69 HB2 PRO 8 2HB PRO 8 2.016 -3.999 -16.111
70 HB3 PRO 8 3HB PRO 8 1.766 -3.770 -14.376
71 HG2 PRO 8 2HG PRO 8 4.324 -4.128 -15.890
72 HG3 PRO 8 3HG PRO 8 3.950 -2.997 -14.576
73 HD2 PRO 8 2HD PRO 8 5.319 -5.298 -14.172
74 HD3 PRO 8 3HD PRO 8 4.243 -4.598 -12.945
75 H DBB 9 H DBB 9 0.999 -7.899 -15.633
76 HA DBB 9 HA DBB 9 2.029 -7.840 -18.428
77 HB2 DBB 9 3HB DBB 9 -0.500 -9.222 -17.452
78 HG1 DBB 9 1HG DBB 9 -0.663 -6.793 -16.984
79 HG2 DBB 9 2HG DBB 9 -0.183 -6.439 -18.661
80 HG3 DBB 9 3HG DBB 9 -1.729 -7.257 -18.332
81 H VAL 10 H VAL 10 0.553 -10.224 -16.220
82 HA VAL 10 HA VAL 10 2.559 -12.173 -17.099
83 HB VAL 10 HB VAL 10 1.916 -11.553 -14.214
84 HG11 VAL 10 1HG1 VAL 10 2.321 -13.693 -13.771
85 HG12 VAL 10 2HG1 VAL 10 2.738 -14.020 -15.455
86 HG13 VAL 10 3HG1 VAL 10 3.972 -13.439 -14.336
87 HG21 VAL 10 1HG2 VAL 10 4.449 -11.307 -14.143
88 HG22 VAL 10 2HG2 VAL 10 4.385 -11.268 -15.905
89 HG23 VAL 10 3HG2 VAL 10 3.548 -10.033 -14.965
90 H DAL 11 H DAL 11 0.405 -12.559 -14.367
91 HA DAL 11 HA DAL 11 -1.967 -13.464 -15.199
92 HB1 DAL 11 2HB DAL 11 -0.910 -13.733 -12.867
93 HB2 DAL 11 3HB DAL 11 -2.011 -15.030 -13.389
94 H HIS 12 H HIS 12 -2.801 -14.967 -16.514
95 HA HIS 12 HA HIS 12 -0.988 -17.022 -17.596
96 HB2 HIS 12 2HB HIS 12 -3.882 -17.055 -16.882
97 HB3 HIS 12 3HB HIS 12 -3.360 -18.038 -18.247
98 HD1 HIS 12 HD1 HIS 12 -0.737 -19.162 -17.229
99 HD2 HIS 12 HD2 HIS 12 -4.149 -18.857 -14.878
100 HE1 HIS 12 HE1 HIS 12 -0.447 -20.863 -15.399
101 H ASP 13 H ASP 13 -3.443 -14.628 -18.387
102 HA ASP 13 HA ASP 13 -2.797 -14.968 -21.240
103 HB2 ASP 13 2HB ASP 13 -5.248 -13.700 -19.999
104 HB3 ASP 13 3HB ASP 13 -4.955 -13.915 -21.723
105 H CYS 14 H CYS 14 -3.366 -12.560 -18.705
106 HA CYS 14 HA CYS 14 -2.696 -10.399 -18.469
107 HB2 CYS 14 2HB CYS 14 -0.458 -11.160 -18.536
108 HB3 CYS 14 3HB CYS 14 -0.531 -11.474 -20.267
109 H HIS 15 H HIS 15 -4.371 -9.257 -19.330
110 HA HIS 15 HA HIS 15 -4.251 -8.633 -22.203
111 HB2 HIS 15 2HB HIS 15 -6.600 -8.288 -20.330
112 HB3 HIS 15 3HB HIS 15 -6.610 -8.098 -22.081
113 HD1 HIS 15 HD1 HIS 15 -6.642 -10.249 -23.507
114 HD2 HIS 15 HD2 HIS 15 -6.668 -10.933 -19.409
115 HE1 HIS 15 HE1 HIS 15 -7.229 -12.679 -23.235
116 H MET 16 H MET 16 -2.689 -7.379 -20.004
117 HA MET 16 HA MET 16 -1.959 -5.310 -19.410
118 HB2 MET 16 2HB MET 16 -3.216 -4.942 -22.032
119 HB3 MET 16 3HB MET 16 -3.157 -3.473 -21.068
120 HG2 MET 16 2HG MET 16 -0.639 -4.863 -20.971
121 HG3 MET 16 3HG MET 16 -1.129 -4.554 -22.635
122 HE1 MET 16 1HE MET 16 1.454 -1.903 -20.709
123 HE2 MET 16 2HE MET 16 1.238 -3.653 -20.688
124 HE3 MET 16 3HE MET 16 1.512 -2.817 -22.217
125 H ASN 17 H ASN 17 -2.814 -4.943 -17.432
126 HA ASN 17 HA ASN 17 -4.779 -2.963 -17.101
127 HB2 ASN 17 2HB ASN 17 -5.740 -5.740 -17.178
128 HB3 ASN 17 3HB ASN 17 -6.246 -4.842 -15.750
129 HD21 ASN 17 1HD2 ASN 17 -7.858 -5.825 -17.935
130 HD22 ASN 17 2HD2 ASN 17 -8.632 -4.448 -18.634
131 H DAL 18 H DAL 18 -2.815 -2.405 -15.891
132 HA DAL 18 HA DAL 18 -1.574 -2.172 -13.943
133 HB1 DAL 18 2HB DAL 18 -0.757 -4.167 -13.269
134 HB2 DAL 18 3HB DAL 18 -2.320 -4.577 -12.524
135 H PHE 19 H PHE 19 -4.247 -4.219 -12.795
136 HA PHE 19 HA PHE 19 -5.412 -1.905 -11.433
137 HB2 PHE 19 2HB PHE 19 -6.441 -4.615 -12.201
138 HB3 PHE 19 3HB PHE 19 -7.237 -3.709 -10.918
139 HD1 PHE 19 HD1 PHE 19 -5.780 -2.739 -14.214
140 HD2 PHE 19 HD2 PHE 19 -9.199 -2.805 -11.681
141 HE1 PHE 19 HE1 PHE 19 -7.049 -1.476 -15.901
142 HE2 PHE 19 HE2 PHE 19 -10.475 -1.543 -13.364
143 HZ PHE 19 HZ PHE 19 -9.401 -0.878 -15.478
144 H GLN 20 H GLN 20 -4.512 -5.277 -10.715
145 HA GLN 20 HA GLN 20 -3.187 -4.713 -8.328
146 HB2 GLN 20 2HB GLN 20 -6.034 -4.655 -8.070
147 HB3 GLN 20 3HB GLN 20 -5.419 -6.053 -7.198
148 HG2 GLN 20 2HG GLN 20 -3.987 -4.676 -5.867
149 HG3 GLN 20 3HG GLN 20 -4.378 -3.255 -6.835
150 HE21 GLN 20 1HE2 GLN 20 -6.973 -3.145 -7.033
151 HE22 GLN 20 2HE2 GLN 20 -7.755 -3.108 -5.492
152 H PHE 21 H PHE 21 -2.878 -6.733 -6.967
153 HA PHE 21 HA PHE 21 -2.934 -9.095 -8.728
154 HB2 PHE 21 2HB PHE 21 -0.875 -8.182 -6.724
155 HB3 PHE 21 3HB PHE 21 -0.927 -9.836 -7.324
156 HD1 PHE 21 HD1 PHE 21 -0.064 -10.396 -9.443
157 HD2 PHE 21 HD2 PHE 21 -0.477 -6.311 -8.322
158 HE1 PHE 21 HE1 PHE 21 1.261 -9.727 -11.405
159 HE2 PHE 21 HE2 PHE 21 0.846 -5.635 -10.283
160 HZ PHE 21 HZ PHE 21 1.716 -7.344 -11.828
161 H VAL 22 H VAL 22 -5.066 -9.529 -7.818
162 HA VAL 22 HA VAL 22 -5.287 -10.173 -5.021
163 HB VAL 22 HB VAL 22 -7.555 -11.015 -5.647
164 HG11 VAL 22 1HG1 VAL 22 -6.548 -8.338 -5.728
165 HG12 VAL 22 2HG1 VAL 22 -7.903 -8.493 -6.848
166 HG13 VAL 22 3HG1 VAL 22 -8.108 -8.923 -5.150
167 HG21 VAL 22 1HG2 VAL 22 -7.314 -9.813 -8.339
168 HG22 VAL 22 2HG2 VAL 22 -6.582 -11.401 -8.110
169 HG23 VAL 22 3HG2 VAL 22 -8.299 -11.166 -7.784
170 H PHE 23 H PHE 23 -4.323 -11.818 -7.859
171 HA PHE 23 HA PHE 23 -4.091 -14.303 -6.342
172 HB2 PHE 23 2HB PHE 23 -5.312 -14.188 -9.108
173 HB3 PHE 23 3HB PHE 23 -4.992 -15.647 -8.177
174 HD1 PHE 23 HD1 PHE 23 -6.078 -15.565 -5.724
175 HD2 PHE 23 HD2 PHE 23 -7.467 -13.426 -9.132
176 HE1 PHE 23 HE1 PHE 23 -8.315 -15.409 -4.710
177 HE2 PHE 23 HE2 PHE 23 -9.705 -13.266 -8.124
178 HZ PHE 23 HZ PHE 23 -10.131 -14.257 -5.910
179 H DBU 24 H DBU 24 -2.430 -12.061 -7.681
180 HB DBU 24 HB DBU 24 1.235 -13.028 -8.713
181 HG1 DBU 24 1HG DBU 24 1.626 -13.441 -6.414
182 HG2 DBU 24 2HG DBU 24 0.055 -14.252 -6.371
183 HG3 DBU 24 3HG DBU 24 0.164 -12.509 -6.066
184 H CYS 25 H CYS 25 -2.494 -11.498 -10.044
185 HA CYS 25 HA CYS 25 -0.953 -11.773 -12.529
186 HB2 CYS 25 2HB CYS 25 -3.960 -11.929 -12.517
187 HB3 CYS 25 3HB CYS 25 -2.847 -12.354 -13.813
188 H CYS 26 H CYS 26 -2.421 -10.332 -14.245
189 HA CYS 26 HA CYS 26 -2.870 -7.736 -12.936
190 HB2 CYS 26 2HB CYS 26 -0.606 -8.029 -14.171
191 HB3 CYS 26 3HB CYS 26 -1.572 -7.928 -15.640
192 H SER 27 H SER 27 -4.994 -9.267 -13.402
193 HA SER 27 HA SER 27 -6.613 -7.721 -15.085
194 HB2 SER 27 2HB SER 27 -5.112 -9.638 -16.512
195 HB3 SER 27 3HB SER 27 -6.759 -10.264 -16.430
196 HG SER 27 HG SER 27 -7.422 -8.135 -17.184
Start of MODEL 20
1 H1 LYS 1 H LYS 1 -0.454 -1.199 -9.668
2 HA LYS 1 HA LYS 1 1.927 -1.707 -9.801
3 HB2 LYS 1 2HB LYS 1 0.630 -0.177 -11.596
4 HB3 LYS 1 3HB LYS 1 1.879 0.958 -11.103
5 HG2 LYS 1 2HG LYS 1 3.588 -0.736 -11.654
6 HG3 LYS 1 3HG LYS 1 2.305 -1.800 -12.235
7 HD2 LYS 1 2HD LYS 1 2.502 -0.827 -14.227
8 HD3 LYS 1 3HD LYS 1 1.870 0.655 -13.504
9 HE2 LYS 1 2HE LYS 1 4.784 -0.099 -13.441
10 HE3 LYS 1 3HE LYS 1 4.069 0.869 -14.728
11 HZ1 LYS 1 1HZ LYS 1 4.752 1.616 -12.029
12 HZ2 LYS 1 2HZ LYS 1 3.217 2.136 -12.512
13 HZ3 LYS 1 3HZ LYS 1 4.580 2.581 -13.409
14 H LYS 2 H LYS 2 1.377 -0.254 -7.269
15 HA LYS 2 HA LYS 2 3.999 1.045 -7.039
16 HB2 LYS 2 2HB LYS 2 1.661 2.487 -7.037
17 HB3 LYS 2 3HB LYS 2 1.926 2.212 -5.320
18 HG2 LYS 2 2HG LYS 2 3.077 4.151 -5.568
19 HG3 LYS 2 3HG LYS 2 4.370 3.007 -5.937
20 HD2 LYS 2 2HD LYS 2 4.334 3.481 -8.183
21 HD3 LYS 2 3HD LYS 2 2.638 3.972 -8.161
22 HE2 LYS 2 2HE LYS 2 4.694 5.585 -6.705
23 HE3 LYS 2 3HE LYS 2 4.499 5.766 -8.448
24 HZ1 LYS 2 1HZ LYS 2 2.645 6.467 -6.288
25 HZ2 LYS 2 2HZ LYS 2 2.000 6.007 -7.782
26 HZ3 LYS 2 3HZ LYS 2 3.047 7.332 -7.685
27 H LYS 3 H LYS 3 1.209 0.189 -4.982
28 HA LYS 3 HA LYS 3 2.598 -0.335 -2.654
29 HB2 LYS 3 2HB LYS 3 0.676 -1.570 -1.914
30 HB3 LYS 3 3HB LYS 3 0.113 -0.221 -2.891
31 HG2 LYS 3 2HG LYS 3 0.027 -1.869 -4.828
32 HG3 LYS 3 3HG LYS 3 0.209 -3.131 -3.608
33 HD2 LYS 3 2HD LYS 3 -1.867 -1.088 -3.095
34 HD3 LYS 3 3HD LYS 3 -2.174 -2.203 -4.428
35 HE2 LYS 3 2HE LYS 3 -2.292 -4.031 -3.050
36 HE3 LYS 3 3HE LYS 3 -1.232 -3.319 -1.835
37 HZ1 LYS 3 1HZ LYS 3 -2.943 -2.198 -0.864
38 HZ2 LYS 3 2HZ LYS 3 -3.795 -3.544 -1.432
39 HZ3 LYS 3 3HZ LYS 3 -3.850 -2.085 -2.287
40 H SER 4 H SER 4 2.203 -2.338 -5.489
41 HA SER 4 HA SER 4 4.069 -4.276 -4.311
42 HB2 SER 4 2HB SER 4 1.829 -5.261 -4.172
43 HB3 SER 4 3HB SER 4 1.585 -4.979 -5.896
44 HG SER 4 HG SER 4 3.683 -6.570 -4.843
45 H GLY 5 H GLY 5 2.356 -3.956 -7.422
46 HA2 GLY 5 2HA GLY 5 3.143 -3.880 -9.576
47 HA3 GLY 5 3HA GLY 5 4.484 -2.954 -8.919
48 H VAL 6 H VAL 6 3.504 -6.341 -8.449
49 HA VAL 6 HA VAL 6 6.022 -7.436 -8.323
50 HB VAL 6 HB VAL 6 3.510 -8.679 -9.444
51 HG11 VAL 6 1HG1 VAL 6 6.243 -9.754 -9.069
52 HG12 VAL 6 2HG1 VAL 6 4.899 -10.790 -8.584
53 HG13 VAL 6 3HG1 VAL 6 5.001 -10.194 -10.241
54 HG21 VAL 6 1HG2 VAL 6 4.776 -8.694 -6.711
55 HG22 VAL 6 2HG2 VAL 6 3.203 -8.040 -7.167
56 HG23 VAL 6 3HG2 VAL 6 3.474 -9.782 -7.192
57 H ILE 7 H ILE 7 4.063 -8.148 -11.180
58 HA ILE 7 HA ILE 7 6.213 -7.237 -12.932
59 HB ILE 7 HB ILE 7 5.152 -10.064 -12.976
60 HG12 ILE 7 2HG1 ILE 7 6.874 -9.603 -11.248
61 HG13 ILE 7 3HG1 ILE 7 7.437 -10.723 -12.483
62 HG21 ILE 7 1HG2 ILE 7 7.229 -9.965 -14.750
63 HG22 ILE 7 2HG2 ILE 7 5.519 -9.914 -15.178
64 HG23 ILE 7 3HG2 ILE 7 6.433 -8.415 -15.018
65 HD11 ILE 7 1HD1 ILE 7 9.151 -9.411 -12.952
66 HD12 ILE 7 2HD1 ILE 7 8.084 -8.033 -13.227
67 HD13 ILE 7 3HD1 ILE 7 8.674 -8.381 -11.602
68 HA PRO 8 HA PRO 8 2.486 -5.894 -15.000
69 HB2 PRO 8 2HB PRO 8 3.763 -4.490 -16.941
70 HB3 PRO 8 3HB PRO 8 3.551 -3.880 -15.295
71 HG2 PRO 8 2HG PRO 8 5.943 -5.180 -16.541
72 HG3 PRO 8 3HG PRO 8 5.867 -3.764 -15.476
73 HD2 PRO 8 2HD PRO 8 6.549 -6.226 -14.579
74 HD3 PRO 8 3HD PRO 8 5.682 -5.049 -13.572
75 H DBB 9 H DBB 9 2.348 -8.299 -15.556
76 HA DBB 9 HA DBB 9 3.081 -8.787 -18.399
77 HB2 DBB 9 3HB DBB 9 0.673 -10.172 -17.893
78 HG1 DBB 9 1HG DBB 9 0.479 -7.269 -16.974
79 HG2 DBB 9 2HG DBB 9 -0.862 -8.431 -17.115
80 HG3 DBB 9 3HG DBB 9 0.406 -8.679 -15.890
81 H VAL 10 H VAL 10 1.765 -10.306 -15.449
82 HA VAL 10 HA VAL 10 3.574 -12.580 -15.939
83 HB VAL 10 HB VAL 10 4.191 -11.539 -13.891
84 HG11 VAL 10 1HG1 VAL 10 1.973 -11.733 -12.195
85 HG12 VAL 10 2HG1 VAL 10 2.718 -10.262 -12.823
86 HG13 VAL 10 3HG1 VAL 10 1.372 -11.008 -13.686
87 HG21 VAL 10 1HG2 VAL 10 2.557 -13.638 -12.647
88 HG22 VAL 10 2HG2 VAL 10 3.495 -14.158 -14.047
89 HG23 VAL 10 3HG2 VAL 10 4.307 -13.422 -12.665
90 H DAL 11 H DAL 11 0.296 -11.611 -15.230
91 HA DAL 11 HA DAL 11 -1.716 -12.763 -15.183
92 HB1 DAL 11 2HB DAL 11 -1.769 -14.890 -14.113
93 HB2 DAL 11 3HB DAL 11 -0.110 -15.280 -14.624
94 H HIS 12 H HIS 12 -2.967 -14.102 -16.541
95 HA HIS 12 HA HIS 12 -1.557 -15.414 -18.751
96 HB2 HIS 12 2HB HIS 12 -4.368 -15.623 -17.690
97 HB3 HIS 12 3HB HIS 12 -3.926 -16.270 -19.266
98 HD1 HIS 12 HD1 HIS 12 -2.856 -18.534 -19.306
99 HD2 HIS 12 HD2 HIS 12 -2.963 -16.892 -15.491
100 HE1 HIS 12 HE1 HIS 12 -2.093 -20.367 -17.763
101 H ASP 13 H ASP 13 -4.569 -13.526 -18.427
102 HA ASP 13 HA ASP 13 -4.418 -12.627 -21.144
103 HB2 ASP 13 2HB ASP 13 -6.208 -11.657 -18.906
104 HB3 ASP 13 3HB ASP 13 -6.437 -11.355 -20.626
105 H CYS 14 H CYS 14 -2.379 -11.577 -21.205
106 HA CYS 14 HA CYS 14 -2.260 -9.015 -19.761
107 HB2 CYS 14 2HB CYS 14 -0.400 -10.749 -19.469
108 HB3 CYS 14 3HB CYS 14 0.060 -10.371 -21.126
109 H HIS 15 H HIS 15 -2.782 -7.296 -20.923
110 HA HIS 15 HA HIS 15 -1.870 -7.116 -23.699
111 HB2 HIS 15 2HB HIS 15 -4.130 -6.069 -24.265
112 HB3 HIS 15 3HB HIS 15 -4.100 -7.817 -24.053
113 HD1 HIS 15 HD1 HIS 15 -4.993 -8.678 -21.657
114 HD2 HIS 15 HD2 HIS 15 -5.915 -4.757 -22.675
115 HE1 HIS 15 HE1 HIS 15 -6.869 -8.007 -20.121
116 H MET 16 H MET 16 -3.360 -5.444 -20.949
117 HA MET 16 HA MET 16 -1.501 -3.338 -20.964
118 HB2 MET 16 2HB MET 16 -3.030 -2.917 -23.056
119 HB3 MET 16 3HB MET 16 -4.174 -2.329 -21.857
120 HG2 MET 16 2HG MET 16 -2.823 -0.551 -21.249
121 HG3 MET 16 3HG MET 16 -1.368 -1.308 -21.893
122 HE1 MET 16 1HE MET 16 -4.109 1.598 -23.956
123 HE2 MET 16 2HE MET 16 -4.688 0.535 -22.673
124 HE3 MET 16 3HE MET 16 -3.364 1.658 -22.358
125 H ASN 17 H ASN 17 -1.840 -4.410 -18.803
126 HA ASN 17 HA ASN 17 -3.578 -2.714 -17.210
127 HB2 ASN 17 2HB ASN 17 -3.750 -5.703 -16.844
128 HB3 ASN 17 3HB ASN 17 -4.775 -4.460 -16.133
129 HD21 ASN 17 1HD2 ASN 17 -6.605 -3.950 -17.128
130 HD22 ASN 17 2HD2 ASN 17 -7.059 -4.466 -18.714
131 H DAL 18 H DAL 18 -3.348 -3.966 -14.782
132 HA DAL 18 HA DAL 18 -0.407 -3.925 -14.313
133 HB1 DAL 18 2HB DAL 18 -0.578 -6.041 -13.536
134 HB2 DAL 18 3HB DAL 18 -1.630 -5.424 -12.240
135 H PHE 19 H PHE 19 -3.340 -4.072 -12.295
136 HA PHE 19 HA PHE 19 -2.599 -1.468 -11.151
137 HB2 PHE 19 2HB PHE 19 -5.256 -2.880 -10.884
138 HB3 PHE 19 3HB PHE 19 -4.891 -1.200 -10.502
139 HD1 PHE 19 HD1 PHE 19 -4.957 0.477 -12.162
140 HD2 PHE 19 HD2 PHE 19 -5.288 -3.623 -13.255
141 HE1 PHE 19 HE1 PHE 19 -5.628 1.140 -14.434
142 HE2 PHE 19 HE2 PHE 19 -5.959 -2.967 -15.529
143 HZ PHE 19 HZ PHE 19 -6.129 -0.582 -16.121
144 H GLN 20 H GLN 20 -3.645 -4.738 -10.276
145 HA GLN 20 HA GLN 20 -2.043 -4.701 -7.904
146 HB2 GLN 20 2HB GLN 20 -4.734 -3.807 -7.688
147 HB3 GLN 20 3HB GLN 20 -4.634 -5.385 -6.920
148 HG2 GLN 20 2HG GLN 20 -2.690 -4.533 -5.605
149 HG3 GLN 20 3HG GLN 20 -3.020 -2.935 -6.270
150 HE21 GLN 20 1HE2 GLN 20 -4.621 -1.725 -5.420
151 HE22 GLN 20 2HE2 GLN 20 -5.617 -2.217 -4.097
152 H PHE 21 H PHE 21 -1.610 -6.740 -7.154
153 HA PHE 21 HA PHE 21 -2.689 -8.930 -8.777
154 HB2 PHE 21 2HB PHE 21 -0.292 -8.964 -6.934
155 HB3 PHE 21 3HB PHE 21 -0.743 -10.201 -8.103
156 HD1 PHE 21 HD1 PHE 21 0.047 -10.110 -10.290
157 HD2 PHE 21 HD2 PHE 21 0.315 -6.657 -7.816
158 HE1 PHE 21 HE1 PHE 21 1.420 -8.995 -12.001
159 HE2 PHE 21 HE2 PHE 21 1.688 -5.537 -9.522
160 HZ PHE 21 HZ PHE 21 2.242 -6.705 -11.618
161 H VAL 22 H VAL 22 -4.050 -10.373 -7.950
162 HA VAL 22 HA VAL 22 -4.880 -10.157 -5.200
163 HB VAL 22 HB VAL 22 -5.760 -12.075 -7.362
164 HG11 VAL 22 1HG1 VAL 22 -6.769 -13.217 -5.744
165 HG12 VAL 22 2HG1 VAL 22 -6.266 -12.039 -4.530
166 HG13 VAL 22 3HG1 VAL 22 -7.763 -11.794 -5.431
167 HG21 VAL 22 1HG2 VAL 22 -7.717 -10.651 -7.557
168 HG22 VAL 22 2HG2 VAL 22 -7.095 -9.587 -6.296
169 HG23 VAL 22 3HG2 VAL 22 -6.252 -9.711 -7.839
170 H PHE 23 H PHE 23 -4.160 -13.114 -7.038
171 HA PHE 23 HA PHE 23 -2.804 -14.160 -4.645
172 HB2 PHE 23 2HB PHE 23 -4.000 -15.747 -6.923
173 HB3 PHE 23 3HB PHE 23 -3.392 -16.379 -5.396
174 HD1 PHE 23 HD1 PHE 23 -4.559 -14.613 -3.422
175 HD2 PHE 23 HD2 PHE 23 -6.258 -16.192 -6.990
176 HE1 PHE 23 HE1 PHE 23 -6.806 -14.405 -2.440
177 HE2 PHE 23 HE2 PHE 23 -8.508 -15.986 -6.015
178 HZ PHE 23 HZ PHE 23 -8.784 -15.090 -3.738
179 H DBU 24 H DBU 24 -1.666 -12.488 -6.842
180 HB DBU 24 HB DBU 24 2.023 -13.801 -7.919
181 HG1 DBU 24 1HG DBU 24 0.707 -14.227 -5.169
182 HG2 DBU 24 2HG DBU 24 2.425 -14.185 -5.587
183 HG3 DBU 24 3HG DBU 24 1.430 -15.577 -6.052
184 H CYS 25 H CYS 25 -1.727 -13.745 -9.484
185 HA CYS 25 HA CYS 25 -0.192 -12.501 -11.599
186 HB2 CYS 25 2HB CYS 25 -2.864 -13.901 -11.529
187 HB3 CYS 25 3HB CYS 25 -2.234 -13.134 -12.984
188 H CYS 26 H CYS 26 -1.880 -11.244 -13.202
189 HA CYS 26 HA CYS 26 -2.761 -8.946 -11.597
190 HB2 CYS 26 2HB CYS 26 -1.033 -8.541 -13.338
191 HB3 CYS 26 3HB CYS 26 -2.177 -9.080 -14.562
192 H SER 27 H SER 27 -4.822 -9.580 -11.026
193 HA SER 27 HA SER 27 -7.069 -9.863 -11.234
194 HB2 SER 27 2HB SER 27 -6.580 -7.771 -12.747
195 HB3 SER 27 3HB SER 27 -6.975 -8.876 -14.063
196 HG SER 27 HG SER 27 -8.965 -8.414 -13.599