NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
14429 |
1wpd   |
6347 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H VAL 1 1HT VAL 1 -5.895 0.755 -6.351
2 2H VAL 1 2HT VAL 1 -6.116 1.494 -7.885
3 3H VAL 1 3HT VAL 1 -7.159 0.227 -7.382
4 HA VAL 1 HA VAL 1 -7.919 2.642 -7.255
5 HB VAL 1 HB VAL 1 -9.168 2.092 -5.121
6 1HG1 VAL 1 1HG1 VAL 1 -10.028 1.544 -7.347
7 2HG1 VAL 1 2HG1 VAL 1 -10.483 0.323 -6.159
8 3HG1 VAL 1 3HG1 VAL 1 -9.174 0.001 -7.296
9 1HG2 VAL 1 1HG2 VAL 1 -8.705 0.269 -3.870
10 2HG2 VAL 1 2HG2 VAL 1 -7.091 0.479 -4.549
11 3HG2 VAL 1 3HG2 VAL 1 -8.202 -0.692 -5.261
12 H SER 2 H SER 2 -7.781 4.532 -6.139
13 HA SER 2 HA SER 2 -5.552 4.749 -4.240
14 1HB SER 2 2HB SER 2 -5.849 7.258 -4.727
15 2HB SER 2 1HB SER 2 -5.202 6.255 -6.025
16 HG SER 2 HG SER 2 -7.128 6.341 -7.065
17 H CYS 3 H CYS 3 -5.891 5.240 -2.165
18 HA CYS 3 HA CYS 3 -8.634 5.933 -1.354
19 1HB CYS 3 2HB CYS 3 -6.522 4.802 0.472
20 2HB CYS 3 1HB CYS 3 -8.267 4.820 0.700
21 H THR 4 H THR 4 -8.669 7.155 0.816
22 HA THR 4 HA THR 4 -6.473 8.898 1.382
23 HB THR 4 HB THR 4 -8.926 10.249 0.271
24 HG1 THR 4 1HG THR 4 -6.544 9.510 -1.066
25 1HG2 THR 4 1HG2 THR 4 -7.332 12.126 -0.069
26 2HG2 THR 4 2HG2 THR 4 -6.136 11.205 0.843
27 3HG2 THR 4 3HG2 THR 4 -7.634 11.719 1.620
28 H GLY 5 H GLY 5 -8.271 7.067 2.765
29 1HA GLY 5 2HA GLY 5 -9.223 8.945 4.821
30 2HA GLY 5 1HA GLY 5 -10.291 7.673 4.248
31 H SER 6 H SER 6 -7.258 8.323 5.917
32 HA SER 6 HA SER 6 -7.692 6.135 7.707
33 1HB SER 6 2HB SER 6 -5.209 5.911 6.007
34 2HB SER 6 1HB SER 6 -5.889 4.717 7.111
35 HG SER 6 HG SER 6 -6.573 5.315 4.499
36 H LYS 7 H LYS 7 -4.941 5.827 8.475
37 HA LYS 7 HA LYS 7 -4.383 8.523 9.520
38 1HB LYS 7 2HB LYS 7 -3.321 7.267 11.464
39 2HB LYS 7 1HB LYS 7 -5.075 7.227 11.370
40 1HG LYS 7 2HG LYS 7 -3.519 5.024 10.113
41 2HG LYS 7 1HG LYS 7 -3.701 5.057 11.869
42 1HD LYS 7 2HD LYS 7 -5.901 4.553 11.779
43 2HD LYS 7 1HD LYS 7 -6.168 5.516 10.324
44 1HE LYS 7 2HE LYS 7 -6.400 3.505 9.340
45 2HE LYS 7 1HE LYS 7 -4.636 3.530 9.324
46 1HZ LYS 7 1HZ LYS 7 -4.510 1.956 10.911
47 2HZ LYS 7 2HZ LYS 7 -6.055 1.545 10.359
48 3HZ LYS 7 3HZ LYS 7 -5.880 2.502 11.742
49 H ASP 8 H ASP 8 -3.369 7.716 7.091
50 HA ASP 8 HA ASP 8 -1.363 8.012 6.007
51 1HB ASP 8 2HB ASP 8 -0.590 8.677 8.550
52 2HB ASP 8 1HB ASP 8 0.430 7.285 8.210
53 H CYS 9 H CYS 9 -2.266 6.055 5.115
54 HA CYS 9 HA CYS 9 -1.012 3.563 5.950
55 1HB CYS 9 2HB CYS 9 -3.517 3.968 5.275
56 2HB CYS 9 1HB CYS 9 -2.876 3.696 3.669
57 H TYR 10 H TYR 10 -1.722 5.056 2.828
58 HA TYR 10 HA TYR 10 0.055 3.641 1.278
59 1HB TYR 10 2HB TYR 10 -1.124 6.382 1.053
60 2HB TYR 10 1HB TYR 10 0.108 5.880 -0.102
61 HD1 TYR 10 1HD TYR 10 -0.707 5.092 -2.098
62 HD2 TYR 10 2HD TYR 10 -2.964 4.384 1.437
63 HE1 TYR 10 1HE TYR 10 -2.421 3.938 -3.431
64 HE2 TYR 10 2HE TYR 10 -4.683 3.226 0.115
65 HH TYR 10 HH TYR 10 -5.465 3.296 -2.353
66 H ALA 11 H ALA 11 0.753 6.139 3.573
67 HA ALA 11 HA ALA 11 3.279 6.912 2.520
68 1HB ALA 11 1HB ALA 11 3.522 7.597 5.095
69 2HB ALA 11 2HB ALA 11 1.771 7.408 5.008
70 3HB ALA 11 3HB ALA 11 2.591 8.536 3.929
71 HA PRO 12 HA PRO 12 5.228 4.169 6.089
72 1HB PRO 12 2HB PRO 12 3.418 2.161 6.847
73 2HB PRO 12 1HB PRO 12 3.895 3.559 7.813
74 1HG PRO 12 2HG PRO 12 1.474 3.155 6.128
75 2HG PRO 12 1HG PRO 12 1.649 4.038 7.654
76 1HD PRO 12 2HD PRO 12 1.437 5.329 5.319
77 2HD PRO 12 1HD PRO 12 2.503 5.927 6.608
78 H CYS 13 H CYS 13 2.966 3.050 3.682
79 HA CYS 13 HA CYS 13 4.482 0.623 3.185
80 1HB CYS 13 2HB CYS 13 1.834 1.616 2.496
81 2HB CYS 13 1HB CYS 13 2.643 0.748 1.204
82 H ARG 14 H ARG 14 3.576 3.582 1.443
83 HA ARG 14 HA ARG 14 4.773 3.113 -0.961
84 1HB ARG 14 2HB ARG 14 3.561 5.112 -0.826
85 2HB ARG 14 1HB ARG 14 4.393 5.630 0.633
86 1HG ARG 14 2HG ARG 14 5.931 6.737 -0.527
87 2HG ARG 14 1HG ARG 14 6.207 5.379 -1.617
88 1HD ARG 14 2HD ARG 14 3.853 6.154 -2.564
89 2HD ARG 14 1HD ARG 14 4.369 7.696 -1.883
90 HE ARG 14 HE ARG 14 6.337 6.410 -3.551
91 1HH1 ARG 14 1HH1 ARG 14 3.622 8.603 -3.464
92 2HH1 ARG 14 2HH1 ARG 14 4.068 9.410 -4.929
93 1HH2 ARG 14 1HH2 ARG 14 6.923 7.471 -5.478
94 2HH2 ARG 14 2HH2 ARG 14 5.940 8.768 -6.074
95 H LYS 15 H LYS 15 6.289 4.015 2.065
96 HA LYS 15 HA LYS 15 8.853 4.600 1.082
97 1HB LYS 15 2HB LYS 15 7.646 4.025 3.657
98 2HB LYS 15 1HB LYS 15 9.233 3.281 3.529
99 1HG LYS 15 2HG LYS 15 9.922 5.280 4.287
100 2HG LYS 15 1HG LYS 15 9.801 5.729 2.585
101 1HD LYS 15 2HD LYS 15 7.274 6.197 3.343
102 2HD LYS 15 1HD LYS 15 8.092 6.484 4.880
103 1HE LYS 15 2HE LYS 15 9.291 8.276 4.060
104 2HE LYS 15 1HE LYS 15 9.166 7.728 2.389
105 1HZ LYS 15 1HZ LYS 15 6.695 8.216 2.650
106 2HZ LYS 15 2HZ LYS 15 7.738 9.542 2.522
107 3HZ LYS 15 3HZ LYS 15 7.125 9.091 4.033
108 H GLN 16 H GLN 16 7.387 1.567 2.164
109 HA GLN 16 HA GLN 16 9.636 -0.056 1.530
110 1HB GLN 16 2HB GLN 16 6.751 -0.868 1.908
111 2HB GLN 16 1HB GLN 16 8.146 -1.937 1.956
112 1HG GLN 16 2HG GLN 16 7.516 0.279 3.892
113 2HG GLN 16 1HG GLN 16 7.386 -1.453 4.191
114 1HE2 GLN 16 1HE2 GLN 16 9.429 1.272 4.158
115 2HE2 GLN 16 2HE2 GLN 16 10.890 0.476 4.622
116 H THR 17 H THR 17 6.398 0.097 -0.002
117 HA THR 17 HA THR 17 7.222 -1.411 -2.252
118 HB THR 17 HB THR 17 4.907 -1.401 -1.472
119 HG1 THR 17 1HG THR 17 3.951 -1.136 -3.532
120 1HG2 THR 17 1HG2 THR 17 3.446 0.378 -1.605
121 2HG2 THR 17 2HG2 THR 17 4.493 1.293 -2.689
122 3HG2 THR 17 3HG2 THR 17 4.918 1.126 -0.985
123 H GLY 18 H GLY 18 6.416 2.024 -1.945
124 1HA GLY 18 2HA GLY 18 7.992 3.572 -3.037
125 2HA GLY 18 1HA GLY 18 7.919 2.479 -4.388
126 H CYS 19 H CYS 19 6.610 2.961 -5.944
127 HA CYS 19 HA CYS 19 5.342 5.090 -6.596
128 1HB CYS 19 2HB CYS 19 3.523 3.715 -7.679
129 2HB CYS 19 1HB CYS 19 5.195 3.474 -8.136
130 HA PRO 20 HA PRO 20 2.149 6.311 -3.807
131 1HB PRO 20 2HB PRO 20 0.505 7.668 -5.510
132 2HB PRO 20 1HB PRO 20 2.035 8.311 -4.902
133 1HG PRO 20 2HG PRO 20 1.442 6.997 -7.526
134 2HG PRO 20 1HG PRO 20 2.419 8.439 -7.192
135 1HD PRO 20 2HD PRO 20 3.542 6.036 -7.644
136 2HD PRO 20 1HD PRO 20 4.244 7.198 -6.501
137 H TYR 21 H TYR 21 1.548 4.070 -6.299
138 HA TYR 21 HA TYR 21 -1.250 3.868 -6.099
139 1HB TYR 21 2HB TYR 21 0.333 1.469 -6.811
140 2HB TYR 21 1HB TYR 21 -1.038 2.201 -7.601
141 HD1 TYR 21 1HD TYR 21 1.914 1.191 -8.501
142 HD2 TYR 21 2HD TYR 21 -0.091 4.927 -8.138
143 HE1 TYR 21 1HE TYR 21 3.388 2.143 -10.225
144 HE2 TYR 21 2HE TYR 21 1.378 5.889 -9.860
145 HH TYR 21 HH TYR 21 4.211 4.506 -10.844
146 H GLY 22 H GLY 22 -2.355 1.880 -5.308
147 1HA GLY 22 2HA GLY 22 -1.104 0.401 -3.171
148 2HA GLY 22 1HA GLY 22 -2.279 1.571 -2.612
149 H LYS 23 H LYS 23 -2.452 -1.289 -2.283
150 HA LYS 23 HA LYS 23 -4.639 -1.977 -4.104
151 1HB LYS 23 2HB LYS 23 -2.524 -3.496 -3.357
152 2HB LYS 23 1HB LYS 23 -3.699 -3.979 -2.142
153 1HG LYS 23 2HG LYS 23 -4.485 -3.953 -5.018
154 2HG LYS 23 1HG LYS 23 -3.516 -5.284 -4.382
155 1HD LYS 23 2HD LYS 23 -5.256 -5.547 -2.583
156 2HD LYS 23 1HD LYS 23 -6.249 -4.394 -3.478
157 1HE LYS 23 2HE LYS 23 -5.132 -6.808 -4.847
158 2HE LYS 23 1HE LYS 23 -6.582 -6.945 -3.853
159 1HZ LYS 23 1HZ LYS 23 -6.543 -4.780 -5.798
160 2HZ LYS 23 2HZ LYS 23 -7.814 -5.794 -5.330
161 3HZ LYS 23 3HZ LYS 23 -6.651 -6.348 -6.426
162 H CYS 24 H CYS 24 -4.627 -0.134 -1.706
163 HA CYS 24 HA CYS 24 -6.109 -1.337 0.369
164 1HB CYS 24 2HB CYS 24 -5.223 0.581 1.179
165 2HB CYS 24 1HB CYS 24 -5.238 1.373 -0.386
166 H MET 25 H MET 25 -8.069 -2.109 0.252
167 HA MET 25 HA MET 25 -10.096 -0.698 -1.360
168 1HB MET 25 2HB MET 25 -9.177 -3.049 -2.177
169 2HB MET 25 1HB MET 25 -10.282 -3.654 -0.950
170 1HG MET 25 2HG MET 25 -12.136 -3.016 -2.101
171 2HG MET 25 1HG MET 25 -11.321 -1.664 -2.884
172 1HE MET 25 1HE MET 25 -11.546 -5.766 -3.031
173 2HE MET 25 2HE MET 25 -12.290 -5.621 -4.623
174 3HE MET 25 3HE MET 25 -12.969 -4.748 -3.250
175 H ASN 26 H ASN 26 -12.137 -0.545 -0.440
176 HA ASN 26 HA ASN 26 -13.526 -0.251 1.422
177 1HB ASN 26 2HB ASN 26 -14.351 -2.211 2.213
178 2HB ASN 26 1HB ASN 26 -13.466 -2.842 0.835
179 1HD2 ASN 26 1HD2 ASN 26 -13.774 -2.774 4.236
180 2HD2 ASN 26 2HD2 ASN 26 -12.506 -3.887 4.602
181 H ARG 27 H ARG 27 -13.454 -0.994 3.809
182 HA ARG 27 HA ARG 27 -11.679 0.787 5.037
183 1HB ARG 27 2HB ARG 27 -14.018 -0.469 5.828
184 2HB ARG 27 1HB ARG 27 -12.801 -1.161 6.891
185 1HG ARG 27 2HG ARG 27 -12.645 0.703 8.092
186 2HG ARG 27 1HG ARG 27 -12.548 1.720 6.654
187 1HD ARG 27 2HD ARG 27 -14.847 1.966 6.516
188 2HD ARG 27 1HD ARG 27 -15.161 0.515 7.466
189 HE ARG 27 HE ARG 27 -15.010 1.769 9.378
190 1HH1 ARG 27 1HH1 ARG 27 -13.723 3.609 6.707
191 2HH1 ARG 27 2HH1 ARG 27 -13.586 5.074 7.620
192 1HH2 ARG 27 1HH2 ARG 27 -14.832 3.695 10.580
193 2HH2 ARG 27 2HH2 ARG 27 -14.214 5.124 9.818
194 H LYS 28 H LYS 28 -10.953 -1.791 3.612
195 HA LYS 28 HA LYS 28 -8.930 -2.737 5.555
196 1HB LYS 28 2HB LYS 28 -10.667 -4.340 4.412
197 2HB LYS 28 1HB LYS 28 -9.560 -4.247 3.051
198 1HG LYS 28 2HG LYS 28 -8.899 -6.150 4.223
199 2HG LYS 28 1HG LYS 28 -7.738 -4.910 4.704
200 1HD LYS 28 2HD LYS 28 -8.516 -4.816 6.838
201 2HD LYS 28 1HD LYS 28 -10.176 -5.181 6.363
202 1HE LYS 28 2HE LYS 28 -9.349 -7.038 7.617
203 2HE LYS 28 1HE LYS 28 -9.456 -7.530 5.927
204 1HZ LYS 28 1HZ LYS 28 -7.394 -8.303 6.571
205 2HZ LYS 28 2HZ LYS 28 -7.057 -6.958 7.540
206 3HZ LYS 28 3HZ LYS 28 -6.997 -6.822 5.855
207 H CYS 29 H CYS 29 -7.197 -1.438 5.229
208 HA CYS 29 HA CYS 29 -6.360 -0.480 2.707
209 1HB CYS 29 2HB CYS 29 -5.878 0.448 5.055
210 2HB CYS 29 1HB CYS 29 -4.561 -0.705 5.056
211 H LYS 30 H LYS 30 -4.179 -0.891 1.785
212 HA LYS 30 HA LYS 30 -2.571 -3.049 2.305
213 1HB LYS 30 2HB LYS 30 -5.078 -3.836 1.018
214 2HB LYS 30 1HB LYS 30 -3.656 -4.363 0.129
215 1HG LYS 30 2HG LYS 30 -3.046 -5.850 1.712
216 2HG LYS 30 1HG LYS 30 -3.620 -4.838 3.040
217 1HD LYS 30 2HD LYS 30 -5.762 -5.647 2.913
218 2HD LYS 30 1HD LYS 30 -5.629 -6.030 1.195
219 1HE LYS 30 2HE LYS 30 -5.475 -8.150 1.938
220 2HE LYS 30 1HE LYS 30 -3.788 -7.719 2.215
221 1HZ LYS 30 1HZ LYS 30 -4.595 -6.992 4.508
222 2HZ LYS 30 2HZ LYS 30 -4.484 -8.653 4.211
223 3HZ LYS 30 3HZ LYS 30 -5.991 -7.888 4.176
224 H CYS 31 H CYS 31 -1.193 -1.428 1.620
225 HA CYS 31 HA CYS 31 -1.017 0.031 -0.667
226 1HB CYS 31 2HB CYS 31 1.525 -0.452 -0.514
227 2HB CYS 31 1HB CYS 31 0.721 0.389 0.805
228 H ASN 32 H ASN 32 0.499 -0.222 -2.442
229 HA ASN 32 HA ASN 32 -0.313 -2.486 -4.036
230 1HB ASN 32 2HB ASN 32 -0.082 0.042 -4.650
231 2HB ASN 32 1HB ASN 32 1.574 -0.406 -4.959
232 1HD2 ASN 32 1HD2 ASN 32 2.016 -1.024 -6.951
233 2HD2 ASN 32 2HD2 ASN 32 0.886 -1.670 -8.088
234 H ARG 33 H ARG 33 1.482 -3.193 -5.655
235 HA ARG 33 HA ARG 33 3.867 -3.958 -4.103
236 1HB ARG 33 2HB ARG 33 2.292 -5.849 -4.550
237 2HB ARG 33 1HB ARG 33 2.526 -5.585 -6.273
238 1HG ARG 33 2HG ARG 33 3.956 -7.346 -5.763
239 2HG ARG 33 1HG ARG 33 5.015 -5.934 -5.805
240 1HD ARG 33 2HD ARG 33 5.409 -5.994 -3.571
241 2HD ARG 33 1HD ARG 33 3.800 -6.612 -3.194
242 HE ARG 33 HE ARG 33 4.676 -8.712 -3.212
243 1HH1 ARG 33 1HH1 ARG 33 6.786 -6.642 -5.066
244 2HH1 ARG 33 2HH1 ARG 33 7.974 -7.875 -5.326
245 1HH2 ARG 33 1HH2 ARG 33 6.237 -10.335 -3.552
246 2HH2 ARG 33 2HH2 ARG 33 7.662 -9.973 -4.466
247 H CYS 34 H CYS 34 5.112 -2.277 -4.856
248 HA CYS 34 HA CYS 34 5.389 -1.776 -7.668
249 1HB CYS 34 2HB CYS 34 5.739 -0.311 -5.390
250 2HB CYS 34 1HB CYS 34 7.376 -0.577 -5.950
Start of MODEL 2
1 1H VAL 1 1HT VAL 1 -10.223 2.699 -7.366
2 2H VAL 1 2HT VAL 1 -11.605 1.757 -6.982
3 3H VAL 1 3HT VAL 1 -10.051 1.030 -7.014
4 HA VAL 1 HA VAL 1 -10.974 3.114 -5.154
5 HB VAL 1 HB VAL 1 -10.649 1.297 -3.458
6 1HG1 VAL 1 1HG1 VAL 1 -12.748 0.687 -5.534
7 2HG1 VAL 1 2HG1 VAL 1 -12.869 1.972 -4.331
8 3HG1 VAL 1 3HG1 VAL 1 -12.802 0.286 -3.817
9 1HG2 VAL 1 1HG2 VAL 1 -10.606 -1.012 -4.181
10 2HG2 VAL 1 2HG2 VAL 1 -9.224 -0.151 -4.858
11 3HG2 VAL 1 3HG2 VAL 1 -10.621 -0.510 -5.872
12 H SER 2 H SER 2 -9.439 3.998 -3.854
13 HA SER 2 HA SER 2 -6.882 2.946 -3.373
14 1HB SER 2 2HB SER 2 -5.458 4.129 -4.821
15 2HB SER 2 1HB SER 2 -6.764 3.586 -5.875
16 HG SER 2 HG SER 2 -5.942 6.044 -5.514
17 H CYS 3 H CYS 3 -5.869 4.056 -1.764
18 HA CYS 3 HA CYS 3 -7.356 6.189 -0.522
19 1HB CYS 3 2HB CYS 3 -4.666 5.147 0.357
20 2HB CYS 3 1HB CYS 3 -5.905 5.921 1.340
21 H THR 4 H THR 4 -5.994 8.058 0.430
22 HA THR 4 HA THR 4 -3.757 8.993 -1.056
23 HB THR 4 HB THR 4 -5.503 9.367 -2.751
24 HG1 THR 4 1HG THR 4 -3.723 10.899 -2.373
25 1HG2 THR 4 1HG2 THR 4 -7.379 10.650 -2.483
26 2HG2 THR 4 2HG2 THR 4 -6.739 11.489 -1.070
27 3HG2 THR 4 3HG2 THR 4 -7.301 9.823 -0.928
28 H GLY 5 H GLY 5 -4.555 8.642 1.689
29 1HA GLY 5 2HA GLY 5 -3.437 10.832 2.907
30 2HA GLY 5 1HA GLY 5 -5.155 11.195 2.837
31 H SER 6 H SER 6 -6.505 10.290 4.300
32 HA SER 6 HA SER 6 -7.178 9.220 6.185
33 1HB SER 6 2HB SER 6 -7.184 7.075 5.502
34 2HB SER 6 1HB SER 6 -5.662 7.251 4.654
35 HG SER 6 HG SER 6 -5.673 5.723 6.419
36 H LYS 7 H LYS 7 -5.064 7.330 7.451
37 HA LYS 7 HA LYS 7 -3.884 9.413 9.153
38 1HB LYS 7 2HB LYS 7 -4.611 6.542 9.586
39 2HB LYS 7 1HB LYS 7 -3.377 7.280 10.598
40 1HG LYS 7 2HG LYS 7 -5.134 7.789 11.898
41 2HG LYS 7 1HG LYS 7 -5.306 9.146 10.782
42 1HD LYS 7 2HD LYS 7 -6.663 6.500 10.328
43 2HD LYS 7 1HD LYS 7 -7.403 7.792 11.276
44 1HE LYS 7 2HE LYS 7 -6.708 9.185 9.094
45 2HE LYS 7 1HE LYS 7 -6.932 7.596 8.363
46 1HZ LYS 7 1HZ LYS 7 -9.051 8.324 8.245
47 2HZ LYS 7 2HZ LYS 7 -8.896 9.388 9.551
48 3HZ LYS 7 3HZ LYS 7 -9.125 7.736 9.830
49 H ASP 8 H ASP 8 -2.802 8.726 6.546
50 HA ASP 8 HA ASP 8 -0.751 8.521 5.586
51 1HB ASP 8 2HB ASP 8 -0.125 9.014 8.396
52 2HB ASP 8 1HB ASP 8 1.108 8.051 7.588
53 H CYS 9 H CYS 9 -2.007 6.431 5.131
54 HA CYS 9 HA CYS 9 -0.728 4.075 6.271
55 1HB CYS 9 2HB CYS 9 -3.272 4.418 5.816
56 2HB CYS 9 1HB CYS 9 -2.831 3.923 4.198
57 H TYR 10 H TYR 10 -1.756 4.944 3.013
58 HA TYR 10 HA TYR 10 -0.075 3.240 1.631
59 1HB TYR 10 2HB TYR 10 -1.571 4.106 0.164
60 2HB TYR 10 1HB TYR 10 -1.654 5.646 1.008
61 HD1 TYR 10 1HD TYR 10 -0.352 7.513 0.298
62 HD2 TYR 10 2HD TYR 10 0.218 3.706 -1.514
63 HE1 TYR 10 1HE TYR 10 0.987 8.565 -1.474
64 HE2 TYR 10 2HE TYR 10 1.560 4.748 -3.293
65 HH TYR 10 HH TYR 10 1.546 7.485 -4.244
66 H ALA 11 H ALA 11 0.704 6.174 3.271
67 HA ALA 11 HA ALA 11 3.038 6.845 1.795
68 1HB ALA 11 1HB ALA 11 1.821 7.713 4.350
69 2HB ALA 11 2HB ALA 11 2.350 8.662 2.960
70 3HB ALA 11 3HB ALA 11 3.536 8.047 4.112
71 HA PRO 12 HA PRO 12 5.556 4.992 5.620
72 1HB PRO 12 2HB PRO 12 3.952 2.917 6.709
73 2HB PRO 12 1HB PRO 12 4.456 4.409 7.503
74 1HG PRO 12 2HG PRO 12 1.897 3.752 6.160
75 2HG PRO 12 1HG PRO 12 2.212 4.855 7.508
76 1HD PRO 12 2HD PRO 12 1.668 5.772 5.047
77 2HD PRO 12 1HD PRO 12 2.838 6.594 6.103
78 H CYS 13 H CYS 13 3.252 3.192 3.671
79 HA CYS 13 HA CYS 13 5.123 0.999 3.331
80 1HB CYS 13 2HB CYS 13 2.380 1.147 3.326
81 2HB CYS 13 1HB CYS 13 2.796 0.902 1.640
82 H ARG 14 H ARG 14 3.484 3.401 1.298
83 HA ARG 14 HA ARG 14 4.412 2.782 -1.172
84 1HB ARG 14 2HB ARG 14 2.986 4.667 -0.981
85 2HB ARG 14 1HB ARG 14 4.084 5.487 0.119
86 1HG ARG 14 2HG ARG 14 5.264 4.911 -2.485
87 2HG ARG 14 1HG ARG 14 3.852 5.965 -2.563
88 1HD ARG 14 2HD ARG 14 5.092 7.141 -0.534
89 2HD ARG 14 1HD ARG 14 6.505 6.415 -1.301
90 HE ARG 14 HE ARG 14 6.298 7.905 -3.035
91 1HH1 ARG 14 1HH1 ARG 14 3.395 7.992 -1.097
92 2HH1 ARG 14 2HH1 ARG 14 2.758 9.391 -1.892
93 1HH2 ARG 14 1HH2 ARG 14 5.458 9.745 -4.082
94 2HH2 ARG 14 2HH2 ARG 14 3.926 10.386 -3.587
95 H LYS 15 H LYS 15 6.217 4.134 1.476
96 HA LYS 15 HA LYS 15 8.531 4.913 0.081
97 1HB LYS 15 2HB LYS 15 7.712 4.821 2.752
98 2HB LYS 15 1HB LYS 15 9.131 3.786 2.688
99 1HG LYS 15 2HG LYS 15 10.539 5.505 2.192
100 2HG LYS 15 1HG LYS 15 9.288 6.438 1.368
101 1HD LYS 15 2HD LYS 15 8.272 6.506 3.825
102 2HD LYS 15 1HD LYS 15 9.970 6.296 4.255
103 1HE LYS 15 2HE LYS 15 10.567 8.344 3.458
104 2HE LYS 15 1HE LYS 15 9.327 8.339 2.205
105 1HZ LYS 15 1HZ LYS 15 8.992 9.965 4.065
106 2HZ LYS 15 2HZ LYS 15 8.699 8.648 5.085
107 3HZ LYS 15 3HZ LYS 15 7.682 8.937 3.766
108 H GLN 16 H GLN 16 7.843 1.874 1.823
109 HA GLN 16 HA GLN 16 10.189 0.564 0.873
110 1HB GLN 16 2HB GLN 16 7.668 -0.530 2.125
111 2HB GLN 16 1HB GLN 16 9.109 -1.485 1.801
112 1HG GLN 16 2HG GLN 16 10.251 -0.610 3.536
113 2HG GLN 16 1HG GLN 16 9.506 0.979 3.369
114 1HE2 GLN 16 1HE2 GLN 16 8.507 -2.344 4.130
115 2HE2 GLN 16 2HE2 GLN 16 7.506 -1.916 5.472
116 H THR 17 H THR 17 6.776 0.411 -0.070
117 HA THR 17 HA THR 17 7.105 -1.582 -2.043
118 HB THR 17 HB THR 17 4.897 0.461 -1.922
119 HG1 THR 17 1HG THR 17 4.788 -0.307 0.071
120 1HG2 THR 17 1HG2 THR 17 3.487 -1.278 -2.774
121 2HG2 THR 17 2HG2 THR 17 4.820 -2.432 -2.732
122 3HG2 THR 17 3HG2 THR 17 4.867 -1.069 -3.848
123 H GLY 18 H GLY 18 6.323 1.846 -2.448
124 1HA GLY 18 2HA GLY 18 7.794 3.136 -3.952
125 2HA GLY 18 1HA GLY 18 7.697 1.755 -5.006
126 H CYS 19 H CYS 19 6.328 1.866 -6.581
127 HA CYS 19 HA CYS 19 4.960 3.742 -7.640
128 1HB CYS 19 2HB CYS 19 3.109 2.115 -8.238
129 2HB CYS 19 1HB CYS 19 4.754 1.829 -8.758
130 HA PRO 20 HA PRO 20 2.006 5.684 -4.981
131 1HB PRO 20 2HB PRO 20 0.429 6.121 -7.455
132 2HB PRO 20 1HB PRO 20 1.018 7.292 -6.270
133 1HG PRO 20 2HG PRO 20 2.172 7.075 -8.659
134 2HG PRO 20 1HG PRO 20 3.140 7.363 -7.201
135 1HD PRO 20 2HD PRO 20 2.739 4.831 -8.742
136 2HD PRO 20 1HD PRO 20 4.209 5.465 -7.973
137 H TYR 21 H TYR 21 1.202 2.952 -6.913
138 HA TYR 21 HA TYR 21 -1.545 2.784 -6.330
139 1HB TYR 21 2HB TYR 21 -0.001 0.299 -6.784
140 2HB TYR 21 1HB TYR 21 -1.472 0.874 -7.526
141 HD1 TYR 21 1HD TYR 21 -0.689 3.436 -8.682
142 HD2 TYR 21 2HD TYR 21 1.419 -0.257 -8.537
143 HE1 TYR 21 1HE TYR 21 0.554 4.073 -10.706
144 HE2 TYR 21 2HE TYR 21 2.669 0.370 -10.559
145 HH TYR 21 HH TYR 21 1.992 2.185 -12.652
146 H GLY 22 H GLY 22 -2.448 0.873 -5.138
147 1HA GLY 22 2HA GLY 22 -1.010 -0.259 -2.947
148 2HA GLY 22 1HA GLY 22 -2.014 1.076 -2.416
149 H LYS 23 H LYS 23 -2.365 -1.621 -1.552
150 HA LYS 23 HA LYS 23 -4.840 -2.363 -2.941
151 1HB LYS 23 2HB LYS 23 -2.722 -3.964 -2.319
152 2HB LYS 23 1HB LYS 23 -3.766 -4.226 -0.927
153 1HG LYS 23 2HG LYS 23 -4.179 -5.893 -2.629
154 2HG LYS 23 1HG LYS 23 -5.595 -4.861 -2.423
155 1HD LYS 23 2HD LYS 23 -3.701 -3.921 -4.452
156 2HD LYS 23 1HD LYS 23 -4.443 -5.481 -4.818
157 1HE LYS 23 2HE LYS 23 -6.483 -4.580 -5.137
158 2HE LYS 23 1HE LYS 23 -6.289 -3.421 -3.823
159 1HZ LYS 23 1HZ LYS 23 -4.661 -2.986 -6.200
160 2HZ LYS 23 2HZ LYS 23 -5.438 -1.866 -5.200
161 3HZ LYS 23 3HZ LYS 23 -6.323 -2.713 -6.365
162 H CYS 24 H CYS 24 -4.383 -0.237 -0.898
163 HA CYS 24 HA CYS 24 -5.648 -1.131 1.507
164 1HB CYS 24 2HB CYS 24 -5.541 1.216 2.179
165 2HB CYS 24 1HB CYS 24 -4.007 0.703 1.496
166 H MET 25 H MET 25 -7.619 -1.986 0.973
167 HA MET 25 HA MET 25 -9.553 -0.448 -0.531
168 1HB MET 25 2HB MET 25 -11.042 -2.340 -0.180
169 2HB MET 25 1HB MET 25 -9.466 -2.905 -0.720
170 1HG MET 25 2HG MET 25 -9.829 -2.769 2.193
171 2HG MET 25 1HG MET 25 -10.831 -3.951 1.352
172 1HE MET 25 1HE MET 25 -10.327 -6.045 1.177
173 2HE MET 25 2HE MET 25 -8.767 -6.864 1.110
174 3HE MET 25 3HE MET 25 -9.410 -6.074 -0.329
175 H ASN 26 H ASN 26 -11.432 0.453 0.253
176 HA ASN 26 HA ASN 26 -11.350 1.870 2.600
177 1HB ASN 26 2HB ASN 26 -14.016 0.890 1.670
178 2HB ASN 26 1HB ASN 26 -13.560 2.483 2.252
179 1HD2 ASN 26 1HD2 ASN 26 -13.532 3.988 0.763
180 2HD2 ASN 26 2HD2 ASN 26 -13.210 3.760 -0.918
181 H ARG 27 H ARG 27 -11.531 1.424 4.670
182 HA ARG 27 HA ARG 27 -12.049 0.398 6.636
183 1HB ARG 27 2HB ARG 27 -14.235 -0.196 5.070
184 2HB ARG 27 1HB ARG 27 -13.677 -1.789 5.561
185 1HG ARG 27 2HG ARG 27 -13.649 -0.082 7.837
186 2HG ARG 27 1HG ARG 27 -15.211 0.071 7.032
187 1HD ARG 27 2HD ARG 27 -15.083 -2.542 6.951
188 2HD ARG 27 1HD ARG 27 -13.933 -2.327 8.269
189 HE ARG 27 HE ARG 27 -16.055 -0.837 9.046
190 1HH1 ARG 27 1HH1 ARG 27 -15.718 -4.145 7.984
191 2HH1 ARG 27 2HH1 ARG 27 -17.048 -4.717 8.933
192 1HH2 ARG 27 1HH2 ARG 27 -17.806 -1.588 10.295
193 2HH2 ARG 27 2HH2 ARG 27 -18.234 -3.266 10.245
194 H LYS 28 H LYS 28 -9.903 -0.371 4.815
195 HA LYS 28 HA LYS 28 -8.697 -2.395 6.254
196 1HB LYS 28 2HB LYS 28 -10.698 -3.505 4.661
197 2HB LYS 28 1HB LYS 28 -9.217 -3.812 3.766
198 1HG LYS 28 2HG LYS 28 -9.684 -5.679 5.197
199 2HG LYS 28 1HG LYS 28 -8.247 -4.842 5.788
200 1HD LYS 28 2HD LYS 28 -9.645 -3.679 7.456
201 2HD LYS 28 1HD LYS 28 -11.046 -4.591 6.888
202 1HE LYS 28 2HE LYS 28 -9.336 -6.612 7.361
203 2HE LYS 28 1HE LYS 28 -8.763 -5.448 8.555
204 1HZ LYS 28 1HZ LYS 28 -10.531 -7.013 9.337
205 2HZ LYS 28 2HZ LYS 28 -11.611 -6.229 8.297
206 3HZ LYS 28 3HZ LYS 28 -10.884 -5.373 9.562
207 H CYS 29 H CYS 29 -6.932 -1.094 5.955
208 HA CYS 29 HA CYS 29 -5.990 -0.259 3.421
209 1HB CYS 29 2HB CYS 29 -5.526 0.733 5.748
210 2HB CYS 29 1HB CYS 29 -4.258 -0.472 5.818
211 H LYS 30 H LYS 30 -3.818 -0.818 2.571
212 HA LYS 30 HA LYS 30 -2.285 -2.973 3.204
213 1HB LYS 30 2HB LYS 30 -4.830 -3.810 2.030
214 2HB LYS 30 1HB LYS 30 -3.438 -4.431 1.152
215 1HG LYS 30 2HG LYS 30 -3.404 -4.681 4.103
216 2HG LYS 30 1HG LYS 30 -4.523 -5.711 3.206
217 1HD LYS 30 2HD LYS 30 -2.588 -6.412 1.775
218 2HD LYS 30 1HD LYS 30 -1.531 -5.535 2.883
219 1HE LYS 30 2HE LYS 30 -1.397 -7.523 3.929
220 2HE LYS 30 1HE LYS 30 -2.938 -7.036 4.631
221 1HZ LYS 30 1HZ LYS 30 -2.896 -8.489 2.073
222 2HZ LYS 30 2HZ LYS 30 -4.108 -8.432 3.252
223 3HZ LYS 30 3HZ LYS 30 -2.709 -9.344 3.521
224 H CYS 31 H CYS 31 -0.913 -1.409 2.372
225 HA CYS 31 HA CYS 31 -0.716 -0.139 -0.009
226 1HB CYS 31 2HB CYS 31 1.820 -0.762 0.129
227 2HB CYS 31 1HB CYS 31 1.082 0.264 1.351
228 H ASN 32 H ASN 32 0.782 -0.570 -1.778
229 HA ASN 32 HA ASN 32 -0.196 -2.826 -3.268
230 1HB ASN 32 2HB ASN 32 0.317 -0.369 -3.994
231 2HB ASN 32 1HB ASN 32 1.917 -1.009 -4.251
232 1HD2 ASN 32 1HD2 ASN 32 2.329 -1.878 -6.160
233 2HD2 ASN 32 2HD2 ASN 32 1.147 -2.408 -7.304
234 H ARG 33 H ARG 33 1.528 -3.787 -4.829
235 HA ARG 33 HA ARG 33 3.930 -4.576 -3.333
236 1HB ARG 33 2HB ARG 33 1.825 -6.321 -4.533
237 2HB ARG 33 1HB ARG 33 3.496 -6.857 -4.639
238 1HG ARG 33 2HG ARG 33 2.048 -6.160 -2.092
239 2HG ARG 33 1HG ARG 33 2.340 -7.792 -2.696
240 1HD ARG 33 2HD ARG 33 4.835 -7.016 -2.729
241 2HD ARG 33 1HD ARG 33 4.270 -5.805 -1.581
242 HE ARG 33 HE ARG 33 4.073 -7.444 0.006
243 1HH1 ARG 33 1HH1 ARG 33 4.408 -8.937 -3.131
244 2HH1 ARG 33 2HH1 ARG 33 4.582 -10.537 -2.489
245 1HH2 ARG 33 1HH2 ARG 33 4.301 -9.547 0.851
246 2HH2 ARG 33 2HH2 ARG 33 4.521 -10.883 -0.230
247 H CYS 34 H CYS 34 5.099 -3.123 -4.562
248 HA CYS 34 HA CYS 34 5.091 -3.254 -7.424
249 1HB CYS 34 2HB CYS 34 5.743 -1.387 -5.504
250 2HB CYS 34 1HB CYS 34 7.260 -1.787 -6.269
Start of MODEL 3
1 1H VAL 1 1HT VAL 1 -11.004 1.021 -6.790
2 2H VAL 1 2HT VAL 1 -11.975 -0.197 -6.068
3 3H VAL 1 3HT VAL 1 -10.285 -0.437 -6.248
4 HA VAL 1 HA VAL 1 -11.474 1.715 -4.643
5 HB VAL 1 HB VAL 1 -10.712 0.257 -2.697
6 1HG1 VAL 1 1HG1 VAL 1 -13.121 0.609 -3.769
7 2HG1 VAL 1 2HG1 VAL 1 -12.846 -0.465 -2.398
8 3HG1 VAL 1 3HG1 VAL 1 -12.969 -1.129 -4.027
9 1HG2 VAL 1 1HG2 VAL 1 -10.784 -2.195 -3.158
10 2HG2 VAL 1 2HG2 VAL 1 -9.392 -1.369 -3.858
11 3HG2 VAL 1 3HG2 VAL 1 -10.756 -1.820 -4.881
12 H SER 2 H SER 2 -9.987 3.002 -3.666
13 HA SER 2 HA SER 2 -7.292 2.372 -3.219
14 1HB SER 2 2HB SER 2 -6.297 3.918 -4.974
15 2HB SER 2 1HB SER 2 -6.924 2.383 -5.575
16 HG SER 2 HG SER 2 -7.519 4.526 -6.646
17 H CYS 3 H CYS 3 -6.324 3.895 -1.955
18 HA CYS 3 HA CYS 3 -7.999 6.044 -1.011
19 1HB CYS 3 2HB CYS 3 -5.147 5.693 -0.156
20 2HB CYS 3 1HB CYS 3 -6.529 6.241 0.784
21 H THR 4 H THR 4 -6.838 8.215 -0.564
22 HA THR 4 HA THR 4 -5.017 9.009 -2.689
23 HB THR 4 HB THR 4 -7.494 10.659 -2.322
24 HG1 THR 4 1HG THR 4 -7.215 8.340 -3.910
25 1HG2 THR 4 1HG2 THR 4 -5.240 10.614 -4.152
26 2HG2 THR 4 2HG2 THR 4 -6.391 11.902 -3.794
27 3HG2 THR 4 3HG2 THR 4 -6.800 10.655 -4.973
28 H GLY 5 H GLY 5 -4.593 8.776 0.067
29 1HA GLY 5 2HA GLY 5 -3.117 10.785 0.878
30 2HA GLY 5 1HA GLY 5 -4.701 11.511 1.109
31 H SER 6 H SER 6 -6.260 9.982 2.359
32 HA SER 6 HA SER 6 -6.795 9.090 4.382
33 1HB SER 6 2HB SER 6 -4.207 7.582 4.430
34 2HB SER 6 1HB SER 6 -5.822 7.044 4.888
35 HG SER 6 HG SER 6 -5.671 6.123 2.977
36 H LYS 7 H LYS 7 -5.383 8.342 6.597
37 HA LYS 7 HA LYS 7 -4.630 10.883 7.677
38 1HB LYS 7 2HB LYS 7 -4.984 8.123 8.728
39 2HB LYS 7 1HB LYS 7 -3.968 9.216 9.657
40 1HG LYS 7 2HG LYS 7 -5.909 9.763 10.637
41 2HG LYS 7 1HG LYS 7 -6.100 10.803 9.224
42 1HD LYS 7 2HD LYS 7 -7.089 7.963 9.283
43 2HD LYS 7 1HD LYS 7 -8.075 9.320 9.833
44 1HE LYS 7 2HE LYS 7 -7.228 10.244 7.432
45 2HE LYS 7 1HE LYS 7 -7.307 8.512 7.109
46 1HZ LYS 7 1HZ LYS 7 -9.621 8.706 8.196
47 2HZ LYS 7 2HZ LYS 7 -9.423 9.224 6.598
48 3HZ LYS 7 3HZ LYS 7 -9.478 10.357 7.852
49 H ASP 8 H ASP 8 -2.898 7.818 7.141
50 HA ASP 8 HA ASP 8 -0.521 9.001 6.275
51 1HB ASP 8 2HB ASP 8 -0.770 9.473 8.935
52 2HB ASP 8 1HB ASP 8 0.090 7.938 8.959
53 H CYS 9 H CYS 9 -1.801 6.964 5.236
54 HA CYS 9 HA CYS 9 -0.457 4.516 6.120
55 1HB CYS 9 2HB CYS 9 -3.041 4.800 5.692
56 2HB CYS 9 1HB CYS 9 -2.550 4.440 4.052
57 H TYR 10 H TYR 10 -1.526 5.935 3.074
58 HA TYR 10 HA TYR 10 -0.018 4.514 1.303
59 1HB TYR 10 2HB TYR 10 -1.500 6.929 1.251
60 2HB TYR 10 1HB TYR 10 0.046 7.265 0.479
61 HD1 TYR 10 1HD TYR 10 -0.552 7.455 -1.779
62 HD2 TYR 10 2HD TYR 10 -1.860 4.074 0.447
63 HE1 TYR 10 1HE TYR 10 -1.362 6.411 -3.853
64 HE2 TYR 10 2HE TYR 10 -2.672 3.020 -1.620
65 HH TYR 10 HH TYR 10 -3.375 3.657 -3.860
66 H ALA 11 H ALA 11 1.053 7.009 3.481
67 HA ALA 11 HA ALA 11 3.566 7.476 2.220
68 1HB ALA 11 1HB ALA 11 2.269 8.301 4.737
69 2HB ALA 11 2HB ALA 11 3.147 9.256 3.543
70 3HB ALA 11 3HB ALA 11 4.033 8.303 4.732
71 HA PRO 12 HA PRO 12 5.565 4.815 5.779
72 1HB PRO 12 2HB PRO 12 3.689 3.119 6.971
73 2HB PRO 12 1HB PRO 12 4.384 4.567 7.701
74 1HG PRO 12 2HG PRO 12 1.767 4.209 6.321
75 2HG PRO 12 1HG PRO 12 2.172 5.214 7.724
76 1HD PRO 12 2HD PRO 12 1.822 6.289 5.295
77 2HD PRO 12 1HD PRO 12 3.061 6.909 6.407
78 H CYS 13 H CYS 13 2.943 3.809 3.733
79 HA CYS 13 HA CYS 13 4.043 1.155 3.364
80 1HB CYS 13 2HB CYS 13 1.498 2.318 3.104
81 2HB CYS 13 1HB CYS 13 1.965 1.700 1.534
82 H ARG 14 H ARG 14 3.418 4.050 1.379
83 HA ARG 14 HA ARG 14 4.365 3.120 -1.020
84 1HB ARG 14 2HB ARG 14 3.301 5.285 -0.852
85 2HB ARG 14 1HB ARG 14 4.615 5.896 0.142
86 1HG ARG 14 2HG ARG 14 5.996 5.153 -2.043
87 2HG ARG 14 1HG ARG 14 4.442 5.550 -2.777
88 1HD ARG 14 2HD ARG 14 5.942 7.376 -0.906
89 2HD ARG 14 1HD ARG 14 6.061 7.453 -2.664
90 HE ARG 14 HE ARG 14 3.891 8.389 -1.028
91 1HH1 ARG 14 1HH1 ARG 14 4.805 7.288 -4.210
92 2HH1 ARG 14 2HH1 ARG 14 3.497 8.099 -5.003
93 1HH2 ARG 14 1HH2 ARG 14 2.170 9.457 -2.069
94 2HH2 ARG 14 2HH2 ARG 14 2.001 9.331 -3.789
95 H LYS 15 H LYS 15 6.146 4.179 1.787
96 HA LYS 15 HA LYS 15 8.694 4.380 0.602
97 1HB LYS 15 2HB LYS 15 7.581 4.316 3.283
98 2HB LYS 15 1HB LYS 15 9.093 3.425 3.203
99 1HG LYS 15 2HG LYS 15 9.993 5.442 3.604
100 2HG LYS 15 1HG LYS 15 9.794 5.649 1.863
101 1HD LYS 15 2HD LYS 15 7.838 6.924 2.130
102 2HD LYS 15 1HD LYS 15 7.634 6.413 3.806
103 1HE LYS 15 2HE LYS 15 10.005 7.577 4.049
104 2HE LYS 15 1HE LYS 15 9.428 8.477 2.647
105 1HZ LYS 15 1HZ LYS 15 7.298 8.621 4.224
106 2HZ LYS 15 2HZ LYS 15 8.535 9.774 4.236
107 3HZ LYS 15 3HZ LYS 15 8.512 8.550 5.402
108 H GLN 16 H GLN 16 6.982 1.705 2.157
109 HA GLN 16 HA GLN 16 9.055 -0.204 1.774
110 1HB GLN 16 2HB GLN 16 7.018 -0.208 3.412
111 2HB GLN 16 1HB GLN 16 6.176 -0.972 2.071
112 1HG GLN 16 2HG GLN 16 8.786 -2.143 2.721
113 2HG GLN 16 1HG GLN 16 7.561 -2.295 3.980
114 1HE2 GLN 16 1HE2 GLN 16 5.404 -3.082 3.188
115 2HE2 GLN 16 2HE2 GLN 16 5.414 -4.353 2.020
116 H THR 17 H THR 17 5.870 0.141 0.165
117 HA THR 17 HA THR 17 6.474 -1.803 -1.812
118 HB THR 17 HB THR 17 4.172 -1.278 -1.125
119 HG1 THR 17 1HG THR 17 3.330 -1.136 -3.292
120 1HG2 THR 17 1HG2 THR 17 4.397 1.169 -0.922
121 2HG2 THR 17 2HG2 THR 17 3.022 0.675 -1.909
122 3HG2 THR 17 3HG2 THR 17 4.489 1.277 -2.679
123 H GLY 18 H GLY 18 6.345 1.725 -1.930
124 1HA GLY 18 2HA GLY 18 8.075 2.885 -3.188
125 2HA GLY 18 1HA GLY 18 7.946 1.601 -4.354
126 H CYS 19 H CYS 19 6.777 1.946 -6.049
127 HA CYS 19 HA CYS 19 5.802 4.085 -7.095
128 1HB CYS 19 2HB CYS 19 3.920 2.716 -8.107
129 2HB CYS 19 1HB CYS 19 5.593 2.312 -8.426
130 HA PRO 20 HA PRO 20 2.600 6.091 -4.818
131 1HB PRO 20 2HB PRO 20 1.283 6.571 -7.433
132 2HB PRO 20 1HB PRO 20 1.783 7.725 -6.193
133 1HG PRO 20 2HG PRO 20 3.162 7.479 -8.457
134 2HG PRO 20 1HG PRO 20 3.989 7.740 -6.909
135 1HD PRO 20 2HD PRO 20 3.676 5.223 -8.492
136 2HD PRO 20 1HD PRO 20 5.078 5.813 -7.576
137 H TYR 21 H TYR 21 1.891 3.405 -6.872
138 HA TYR 21 HA TYR 21 -0.895 3.316 -6.510
139 1HB TYR 21 2HB TYR 21 0.582 0.786 -6.904
140 2HB TYR 21 1HB TYR 21 -0.789 1.445 -7.758
141 HD1 TYR 21 1HD TYR 21 2.168 0.233 -8.505
142 HD2 TYR 21 2HD TYR 21 0.167 3.975 -8.796
143 HE1 TYR 21 1HE TYR 21 3.621 0.857 -10.388
144 HE2 TYR 21 2HE TYR 21 1.613 4.610 -10.680
145 HH TYR 21 HH TYR 21 4.429 2.918 -11.486
146 H GLY 22 H GLY 22 -2.014 1.522 -5.363
147 1HA GLY 22 2HA GLY 22 -0.729 0.283 -3.121
148 2HA GLY 22 1HA GLY 22 -1.725 1.638 -2.642
149 H LYS 23 H LYS 23 -2.133 -1.132 -1.894
150 HA LYS 23 HA LYS 23 -4.589 -1.747 -3.370
151 1HB LYS 23 2HB LYS 23 -2.528 -3.420 -2.702
152 2HB LYS 23 1HB LYS 23 -3.654 -3.703 -1.383
153 1HG LYS 23 2HG LYS 23 -5.402 -3.960 -3.299
154 2HG LYS 23 1HG LYS 23 -3.973 -4.248 -4.295
155 1HD LYS 23 2HD LYS 23 -3.359 -5.896 -2.328
156 2HD LYS 23 1HD LYS 23 -5.105 -5.874 -2.073
157 1HE LYS 23 2HE LYS 23 -5.162 -6.287 -4.667
158 2HE LYS 23 1HE LYS 23 -3.531 -6.895 -4.390
159 1HZ LYS 23 1HZ LYS 23 -6.093 -8.004 -3.560
160 2HZ LYS 23 2HZ LYS 23 -4.815 -8.162 -2.463
161 3HZ LYS 23 3HZ LYS 23 -4.670 -8.794 -4.026
162 H CYS 24 H CYS 24 -3.960 0.222 -1.113
163 HA CYS 24 HA CYS 24 -5.365 -0.662 1.179
164 1HB CYS 24 2HB CYS 24 -5.119 1.594 1.973
165 2HB CYS 24 1HB CYS 24 -3.638 1.137 1.151
166 H MET 25 H MET 25 -7.442 -1.141 1.164
167 HA MET 25 HA MET 25 -9.285 0.476 -0.462
168 1HB MET 25 2HB MET 25 -9.923 -2.161 0.851
169 2HB MET 25 1HB MET 25 -10.780 -1.366 -0.463
170 1HG MET 25 2HG MET 25 -8.920 -1.779 -1.960
171 2HG MET 25 1HG MET 25 -8.004 -2.513 -0.645
172 1HE MET 25 1HE MET 25 -8.962 -4.333 0.791
173 2HE MET 25 2HE MET 25 -9.728 -5.768 0.110
174 3HE MET 25 3HE MET 25 -10.720 -4.428 0.683
175 H ASN 26 H ASN 26 -11.137 1.341 0.428
176 HA ASN 26 HA ASN 26 -11.004 2.547 2.875
177 1HB ASN 26 2HB ASN 26 -13.712 1.655 2.007
178 2HB ASN 26 1HB ASN 26 -13.194 3.219 2.616
179 1HD2 ASN 26 1HD2 ASN 26 -13.917 1.384 -0.121
180 2HD2 ASN 26 2HD2 ASN 26 -13.420 2.522 -1.320
181 H ARG 27 H ARG 27 -11.053 1.910 4.896
182 HA ARG 27 HA ARG 27 -11.502 0.734 6.794
183 1HB ARG 27 2HB ARG 27 -13.781 0.322 5.301
184 2HB ARG 27 1HB ARG 27 -13.238 -1.319 5.625
185 1HG ARG 27 2HG ARG 27 -13.050 0.185 8.034
186 2HG ARG 27 1HG ARG 27 -14.648 0.439 7.329
187 1HD ARG 27 2HD ARG 27 -14.603 -2.153 7.021
188 2HD ARG 27 1HD ARG 27 -13.367 -2.088 8.276
189 HE ARG 27 HE ARG 27 -15.640 -0.601 9.059
190 1HH1 ARG 27 1HH1 ARG 27 -14.532 -3.886 8.656
191 2HH1 ARG 27 2HH1 ARG 27 -15.599 -4.526 9.859
192 1HH2 ARG 27 1HH2 ARG 27 -17.044 -1.441 10.643
193 2HH2 ARG 27 2HH2 ARG 27 -17.026 -3.138 10.988
194 H LYS 28 H LYS 28 -9.457 0.083 4.823
195 HA LYS 28 HA LYS 28 -8.244 -2.088 6.014
196 1HB LYS 28 2HB LYS 28 -10.225 -2.867 4.001
197 2HB LYS 28 1HB LYS 28 -8.629 -3.540 3.700
198 1HG LYS 28 2HG LYS 28 -9.588 -3.752 6.472
199 2HG LYS 28 1HG LYS 28 -10.485 -4.688 5.275
200 1HD LYS 28 2HD LYS 28 -8.304 -5.623 4.490
201 2HD LYS 28 1HD LYS 28 -7.526 -4.805 5.847
202 1HE LYS 28 2HE LYS 28 -9.655 -6.935 5.996
203 2HE LYS 28 1HE LYS 28 -7.953 -7.112 6.423
204 1HZ LYS 28 1HZ LYS 28 -10.014 -5.504 7.817
205 2HZ LYS 28 2HZ LYS 28 -8.360 -5.335 8.126
206 3HZ LYS 28 3HZ LYS 28 -9.128 -6.811 8.426
207 H CYS 29 H CYS 29 -6.460 -0.809 5.733
208 HA CYS 29 HA CYS 29 -5.616 0.126 3.182
209 1HB CYS 29 2HB CYS 29 -5.150 1.113 5.514
210 2HB CYS 29 1HB CYS 29 -3.838 -0.043 5.544
211 H LYS 30 H LYS 30 -3.463 -0.383 2.285
212 HA LYS 30 HA LYS 30 -1.788 -2.411 2.869
213 1HB LYS 30 2HB LYS 30 -2.671 -4.276 1.316
214 2HB LYS 30 1HB LYS 30 -3.351 -4.138 2.931
215 1HG LYS 30 2HG LYS 30 -4.990 -2.535 1.388
216 2HG LYS 30 1HG LYS 30 -4.634 -3.911 0.345
217 1HD LYS 30 2HD LYS 30 -5.317 -4.525 3.155
218 2HD LYS 30 1HD LYS 30 -6.624 -3.902 2.146
219 1HE LYS 30 2HE LYS 30 -4.865 -6.169 1.256
220 2HE LYS 30 1HE LYS 30 -6.304 -6.438 2.240
221 1HZ LYS 30 1HZ LYS 30 -6.332 -6.416 -0.412
222 2HZ LYS 30 2HZ LYS 30 -6.661 -4.782 -0.122
223 3HZ LYS 30 3HZ LYS 30 -7.669 -5.975 0.528
224 H CYS 31 H CYS 31 -0.460 -0.998 1.799
225 HA CYS 31 HA CYS 31 -0.560 0.152 -0.670
226 1HB CYS 31 2HB CYS 31 2.002 -0.533 -0.758
227 2HB CYS 31 1HB CYS 31 1.396 0.713 0.317
228 H ASN 32 H ASN 32 0.821 -0.403 -2.518
229 HA ASN 32 HA ASN 32 -0.300 -2.740 -3.764
230 1HB ASN 32 2HB ASN 32 0.112 -0.340 -4.695
231 2HB ASN 32 1HB ASN 32 1.697 -0.979 -5.052
232 1HD2 ASN 32 1HD2 ASN 32 -1.701 -1.207 -5.734
233 2HD2 ASN 32 2HD2 ASN 32 -1.554 -2.119 -7.194
234 H ARG 33 H ARG 33 1.284 -3.815 -5.404
235 HA ARG 33 HA ARG 33 3.616 -4.750 -3.867
236 1HB ARG 33 2HB ARG 33 1.616 -6.325 -4.591
237 2HB ARG 33 1HB ARG 33 2.468 -6.334 -6.129
238 1HG ARG 33 2HG ARG 33 3.276 -8.209 -5.016
239 2HG ARG 33 1HG ARG 33 4.533 -6.996 -4.773
240 1HD ARG 33 2HD ARG 33 4.158 -6.861 -2.550
241 2HD ARG 33 1HD ARG 33 2.417 -7.068 -2.727
242 HE ARG 33 HE ARG 33 4.323 -9.094 -2.143
243 1HH1 ARG 33 1HH1 ARG 33 1.320 -8.511 -3.824
244 2HH1 ARG 33 2HH1 ARG 33 0.784 -10.152 -3.693
245 1HH2 ARG 33 1HH2 ARG 33 3.619 -11.254 -1.970
246 2HH2 ARG 33 2HH2 ARG 33 2.088 -11.710 -2.640
247 H CYS 34 H CYS 34 5.013 -3.188 -4.621
248 HA CYS 34 HA CYS 34 5.420 -2.861 -7.460
249 1HB CYS 34 2HB CYS 34 5.695 -1.226 -5.298
250 2HB CYS 34 1HB CYS 34 7.355 -1.610 -5.709
Start of MODEL 4
1 1H VAL 1 1HT VAL 1 -5.459 8.526 -7.684
2 2H VAL 1 2HT VAL 1 -4.800 8.745 -9.253
3 3H VAL 1 3HT VAL 1 -3.806 8.182 -7.973
4 HA VAL 1 HA VAL 1 -6.156 6.756 -9.010
5 HB VAL 1 HB VAL 1 -4.439 5.208 -10.004
6 1HG1 VAL 1 1HG1 VAL 1 -4.193 7.893 -11.294
7 2HG1 VAL 1 2HG1 VAL 1 -5.766 7.104 -11.186
8 3HG1 VAL 1 3HG1 VAL 1 -4.439 6.312 -12.035
9 1HG2 VAL 1 1HG2 VAL 1 -2.573 7.553 -9.686
10 2HG2 VAL 1 2HG2 VAL 1 -2.207 5.977 -10.385
11 3HG2 VAL 1 3HG2 VAL 1 -2.538 6.119 -8.659
12 H SER 2 H SER 2 -6.605 4.886 -7.954
13 HA SER 2 HA SER 2 -6.615 3.317 -6.309
14 1HB SER 2 2HB SER 2 -3.638 3.785 -6.073
15 2HB SER 2 1HB SER 2 -4.535 2.331 -5.636
16 HG SER 2 HG SER 2 -5.123 2.296 -7.963
17 H CYS 3 H CYS 3 -7.456 3.663 -4.372
18 HA CYS 3 HA CYS 3 -7.854 4.521 -2.298
19 1HB CYS 3 2HB CYS 3 -4.893 5.101 -2.380
20 2HB CYS 3 1HB CYS 3 -5.900 5.210 -0.945
21 H THR 4 H THR 4 -7.344 6.580 -0.906
22 HA THR 4 HA THR 4 -7.971 8.856 -2.645
23 HB THR 4 HB THR 4 -9.639 8.444 -0.969
24 HG1 THR 4 1HG THR 4 -8.038 10.605 -0.074
25 1HG2 THR 4 1HG2 THR 4 -7.418 7.784 0.708
26 2HG2 THR 4 2HG2 THR 4 -9.141 7.504 0.965
27 3HG2 THR 4 3HG2 THR 4 -8.409 9.025 1.475
28 H GLY 5 H GLY 5 -5.405 8.465 -2.911
29 1HA GLY 5 2HA GLY 5 -3.469 9.742 -2.837
30 2HA GLY 5 1HA GLY 5 -4.223 10.759 -1.618
31 H SER 6 H SER 6 -3.738 10.447 0.498
32 HA SER 6 HA SER 6 -2.710 8.002 1.523
33 1HB SER 6 2HB SER 6 -0.577 9.920 1.978
34 2HB SER 6 1HB SER 6 -0.487 8.260 1.392
35 HG SER 6 HG SER 6 -1.014 10.591 -0.138
36 H LYS 7 H LYS 7 -1.932 8.262 3.799
37 HA LYS 7 HA LYS 7 -2.740 10.664 5.190
38 1HB LYS 7 2HB LYS 7 -4.261 8.077 5.447
39 2HB LYS 7 1HB LYS 7 -4.248 9.272 6.734
40 1HG LYS 7 2HG LYS 7 -6.056 10.093 5.718
41 2HG LYS 7 1HG LYS 7 -4.908 10.802 4.582
42 1HD LYS 7 2HD LYS 7 -6.756 9.605 3.459
43 2HD LYS 7 1HD LYS 7 -5.174 8.923 3.081
44 1HE LYS 7 2HE LYS 7 -5.546 7.023 4.342
45 2HE LYS 7 1HE LYS 7 -6.768 7.802 5.344
46 1HZ LYS 7 1HZ LYS 7 -7.069 6.917 2.527
47 2HZ LYS 7 2HZ LYS 7 -8.224 7.837 3.355
48 3HZ LYS 7 3HZ LYS 7 -7.847 6.277 3.888
49 H ASP 8 H ASP 8 -2.611 7.319 6.348
50 HA ASP 8 HA ASP 8 -0.038 7.887 7.643
51 1HB ASP 8 2HB ASP 8 -2.613 7.162 8.940
52 2HB ASP 8 1HB ASP 8 -1.155 6.400 9.570
53 H CYS 9 H CYS 9 -1.575 5.994 5.514
54 HA CYS 9 HA CYS 9 -0.171 3.546 6.310
55 1HB CYS 9 2HB CYS 9 -2.747 3.675 5.894
56 2HB CYS 9 1HB CYS 9 -2.257 3.566 4.219
57 H TYR 10 H TYR 10 -1.313 5.081 3.357
58 HA TYR 10 HA TYR 10 0.352 3.897 1.540
59 1HB TYR 10 2HB TYR 10 -1.271 6.301 1.635
60 2HB TYR 10 1HB TYR 10 0.162 6.535 0.641
61 HD1 TYR 10 1HD TYR 10 -1.697 3.357 1.075
62 HD2 TYR 10 2HD TYR 10 -0.828 6.631 -1.498
63 HE1 TYR 10 1HE TYR 10 -2.800 2.183 -0.783
64 HE2 TYR 10 2HE TYR 10 -1.930 5.468 -3.362
65 HH TYR 10 HH TYR 10 -2.445 3.044 -3.972
66 H ALA 11 H ALA 11 1.156 6.343 3.878
67 HA ALA 11 HA ALA 11 3.569 7.189 2.612
68 1HB ALA 11 1HB ALA 11 2.962 8.808 4.070
69 2HB ALA 11 2HB ALA 11 4.016 7.899 5.153
70 3HB ALA 11 3HB ALA 11 2.269 7.666 5.221
71 HA PRO 12 HA PRO 12 5.913 4.550 6.044
72 1HB PRO 12 2HB PRO 12 4.174 2.453 6.818
73 2HB PRO 12 1HB PRO 12 4.747 3.783 7.825
74 1HG PRO 12 2HG PRO 12 2.179 3.488 6.358
75 2HG PRO 12 1HG PRO 12 2.515 4.320 7.887
76 1HD PRO 12 2HD PRO 12 2.087 5.691 5.632
77 2HD PRO 12 1HD PRO 12 3.300 6.231 6.814
78 H CYS 13 H CYS 13 3.511 3.376 3.807
79 HA CYS 13 HA CYS 13 5.071 1.040 3.104
80 1HB CYS 13 2HB CYS 13 2.430 1.488 3.122
81 2HB CYS 13 1HB CYS 13 2.791 1.797 1.439
82 H ARG 14 H ARG 14 3.794 3.875 1.391
83 HA ARG 14 HA ARG 14 4.882 3.555 -1.063
84 1HB ARG 14 2HB ARG 14 4.548 6.023 0.563
85 2HB ARG 14 1HB ARG 14 5.327 6.085 -1.006
86 1HG ARG 14 2HG ARG 14 2.835 4.617 -1.085
87 2HG ARG 14 1HG ARG 14 2.628 6.280 -0.529
88 1HD ARG 14 2HD ARG 14 4.322 6.619 -2.628
89 2HD ARG 14 1HD ARG 14 3.358 5.246 -3.175
90 HE ARG 14 HE ARG 14 1.550 6.639 -3.390
91 1HH1 ARG 14 1HH1 ARG 14 4.021 8.259 -1.532
92 2HH1 ARG 14 2HH1 ARG 14 3.208 9.789 -1.551
93 1HH2 ARG 14 1HH2 ARG 14 0.482 8.650 -3.418
94 2HH2 ARG 14 2HH2 ARG 14 1.199 10.011 -2.621
95 H LYS 15 H LYS 15 6.570 4.331 1.859
96 HA LYS 15 HA LYS 15 9.040 5.085 0.744
97 1HB LYS 15 2HB LYS 15 8.040 4.271 3.345
98 2HB LYS 15 1HB LYS 15 9.636 3.595 3.046
99 1HG LYS 15 2HG LYS 15 9.766 5.736 4.201
100 2HG LYS 15 1HG LYS 15 10.515 5.818 2.605
101 1HD LYS 15 2HD LYS 15 9.280 7.690 2.395
102 2HD LYS 15 1HD LYS 15 7.980 6.560 2.011
103 1HE LYS 15 2HE LYS 15 7.345 6.544 4.402
104 2HE LYS 15 1HE LYS 15 8.587 7.756 4.713
105 1HZ LYS 15 1HZ LYS 15 6.395 8.181 2.766
106 2HZ LYS 15 2HZ LYS 15 7.441 9.336 3.423
107 3HZ LYS 15 3HZ LYS 15 6.262 8.613 4.396
108 H GLN 16 H GLN 16 7.984 1.894 1.947
109 HA GLN 16 HA GLN 16 10.184 0.520 0.748
110 1HB GLN 16 2HB GLN 16 8.978 -1.536 1.411
111 2HB GLN 16 1HB GLN 16 9.174 -0.393 2.731
112 1HG GLN 16 2HG GLN 16 6.857 0.349 2.412
113 2HG GLN 16 1HG GLN 16 6.670 -0.839 1.123
114 1HE2 GLN 16 1HE2 GLN 16 6.496 -0.255 4.443
115 2HE2 GLN 16 2HE2 GLN 16 6.220 -1.879 4.965
116 H THR 17 H THR 17 6.716 0.669 -0.067
117 HA THR 17 HA THR 17 6.918 -0.953 -2.360
118 HB THR 17 HB THR 17 4.645 0.760 -2.526
119 HG1 THR 17 1HG THR 17 4.054 1.037 -0.541
120 1HG2 THR 17 1HG2 THR 17 3.788 -1.581 -1.351
121 2HG2 THR 17 2HG2 THR 17 5.220 -2.061 -2.264
122 3HG2 THR 17 3HG2 THR 17 3.886 -1.246 -3.080
123 H GLY 18 H GLY 18 8.001 2.198 -1.919
124 1HA GLY 18 2HA GLY 18 8.619 3.843 -3.423
125 2HA GLY 18 1HA GLY 18 8.738 2.545 -4.583
126 H CYS 19 H CYS 19 7.345 2.432 -6.139
127 HA CYS 19 HA CYS 19 5.976 4.282 -7.293
128 1HB CYS 19 2HB CYS 19 4.251 2.544 -7.994
129 2HB CYS 19 1HB CYS 19 5.928 2.401 -8.463
130 HA PRO 20 HA PRO 20 2.675 5.884 -4.855
131 1HB PRO 20 2HB PRO 20 1.012 6.802 -6.794
132 2HB PRO 20 1HB PRO 20 2.529 7.596 -6.357
133 1HG PRO 20 2HG PRO 20 1.956 5.721 -8.623
134 2HG PRO 20 1HG PRO 20 2.883 7.233 -8.630
135 1HD PRO 20 2HD PRO 20 4.080 4.818 -8.549
136 2HD PRO 20 1HD PRO 20 4.758 6.234 -7.719
137 H TYR 21 H TYR 21 2.247 3.066 -6.628
138 HA TYR 21 HA TYR 21 -0.547 2.830 -6.584
139 1HB TYR 21 2HB TYR 21 1.185 0.419 -6.468
140 2HB TYR 21 1HB TYR 21 -0.196 0.774 -7.468
141 HD1 TYR 21 1HD TYR 21 0.678 3.366 -8.672
142 HD2 TYR 21 2HD TYR 21 2.757 -0.297 -8.064
143 HE1 TYR 21 1HE TYR 21 2.151 3.893 -10.570
144 HE2 TYR 21 2HE TYR 21 4.237 0.222 -9.958
145 HH TYR 21 HH TYR 21 4.807 2.973 -11.149
146 H GLY 22 H GLY 22 -1.665 1.069 -5.404
147 1HA GLY 22 2HA GLY 22 -0.816 -0.044 -2.990
148 2HA GLY 22 1HA GLY 22 -1.582 1.475 -2.608
149 H LYS 23 H LYS 23 -2.388 -1.500 -2.207
150 HA LYS 23 HA LYS 23 -4.921 -1.390 -3.676
151 1HB LYS 23 2HB LYS 23 -3.175 -3.483 -3.359
152 2HB LYS 23 1HB LYS 23 -4.380 -3.819 -2.124
153 1HG LYS 23 2HG LYS 23 -6.133 -3.861 -3.746
154 2HG LYS 23 1HG LYS 23 -5.042 -3.291 -5.011
155 1HD LYS 23 2HD LYS 23 -4.142 -5.336 -5.333
156 2HD LYS 23 1HD LYS 23 -4.190 -5.740 -3.615
157 1HE LYS 23 2HE LYS 23 -6.828 -5.710 -4.186
158 2HE LYS 23 1HE LYS 23 -6.175 -6.228 -5.740
159 1HZ LYS 23 1HZ LYS 23 -6.653 -8.134 -4.384
160 2HZ LYS 23 2HZ LYS 23 -5.714 -7.533 -3.112
161 3HZ LYS 23 3HZ LYS 23 -4.976 -8.000 -4.561
162 H CYS 24 H CYS 24 -4.306 0.220 -1.322
163 HA CYS 24 HA CYS 24 -5.568 -0.872 0.954
164 1HB CYS 24 2HB CYS 24 -5.064 1.102 1.988
165 2HB CYS 24 1HB CYS 24 -3.962 1.218 0.626
166 H MET 25 H MET 25 -7.615 -1.174 1.391
167 HA MET 25 HA MET 25 -9.645 0.193 -0.244
168 1HB MET 25 2HB MET 25 -9.738 -2.445 1.229
169 2HB MET 25 1HB MET 25 -11.140 -1.696 0.478
170 1HG MET 25 2HG MET 25 -10.436 -2.160 -1.634
171 2HG MET 25 1HG MET 25 -8.730 -2.112 -1.197
172 1HE MET 25 1HE MET 25 -7.832 -4.679 -2.224
173 2HE MET 25 2HE MET 25 -9.174 -3.938 -3.095
174 3HE MET 25 3HE MET 25 -9.237 -5.647 -2.668
175 H ASN 26 H ASN 26 -11.385 1.174 0.729
176 HA ASN 26 HA ASN 26 -11.017 2.551 3.069
177 1HB ASN 26 2HB ASN 26 -13.819 1.746 2.518
178 2HB ASN 26 1HB ASN 26 -13.160 3.333 2.874
179 1HD2 ASN 26 1HD2 ASN 26 -13.881 1.019 0.408
180 2HD2 ASN 26 2HD2 ASN 26 -13.598 2.057 -0.942
181 H ARG 27 H ARG 27 -10.860 2.001 5.100
182 HA ARG 27 HA ARG 27 -11.203 0.990 7.110
183 1HB ARG 27 2HB ARG 27 -13.644 0.676 5.881
184 2HB ARG 27 1HB ARG 27 -13.199 -0.983 6.258
185 1HG ARG 27 2HG ARG 27 -12.652 0.642 8.531
186 2HG ARG 27 1HG ARG 27 -14.290 0.979 7.971
187 1HD ARG 27 2HD ARG 27 -13.233 -1.807 8.394
188 2HD ARG 27 1HD ARG 27 -14.057 -0.889 9.654
189 HE ARG 27 HE ARG 27 -15.267 -2.260 7.484
190 1HH1 ARG 27 1HH1 ARG 27 -15.573 0.603 9.458
191 2HH1 ARG 27 2HH1 ARG 27 -17.286 0.726 9.234
192 1HH2 ARG 27 1HH2 ARG 27 -17.520 -2.099 7.189
193 2HH2 ARG 27 2HH2 ARG 27 -18.391 -0.807 7.946
194 H LYS 28 H LYS 28 -9.430 0.038 4.996
195 HA LYS 28 HA LYS 28 -8.305 -2.170 6.247
196 1HB LYS 28 2HB LYS 28 -10.264 -3.436 5.541
197 2HB LYS 28 1HB LYS 28 -10.019 -2.934 3.876
198 1HG LYS 28 2HG LYS 28 -9.268 -5.210 4.206
199 2HG LYS 28 1HG LYS 28 -7.902 -4.161 3.821
200 1HD LYS 28 2HD LYS 28 -6.946 -4.447 5.846
201 2HD LYS 28 1HD LYS 28 -8.497 -4.460 6.689
202 1HE LYS 28 2HE LYS 28 -7.866 -6.773 4.943
203 2HE LYS 28 1HE LYS 28 -6.972 -6.631 6.456
204 1HZ LYS 28 1HZ LYS 28 -8.852 -7.906 6.954
205 2HZ LYS 28 2HZ LYS 28 -9.894 -6.901 6.078
206 3HZ LYS 28 3HZ LYS 28 -9.228 -6.362 7.537
207 H CYS 29 H CYS 29 -6.374 -1.209 5.797
208 HA CYS 29 HA CYS 29 -5.623 -0.245 3.250
209 1HB CYS 29 2HB CYS 29 -4.698 0.301 5.603
210 2HB CYS 29 1HB CYS 29 -3.634 -1.050 5.290
211 H LYS 30 H LYS 30 -3.725 -1.056 2.020
212 HA LYS 30 HA LYS 30 -2.616 -3.563 2.243
213 1HB LYS 30 2HB LYS 30 -5.352 -3.645 1.208
214 2HB LYS 30 1HB LYS 30 -4.190 -4.413 0.135
215 1HG LYS 30 2HG LYS 30 -3.823 -6.132 1.542
216 2HG LYS 30 1HG LYS 30 -3.962 -5.123 2.983
217 1HD LYS 30 2HD LYS 30 -6.443 -5.037 2.545
218 2HD LYS 30 1HD LYS 30 -6.188 -6.274 1.312
219 1HE LYS 30 2HE LYS 30 -4.933 -7.479 3.306
220 2HE LYS 30 1HE LYS 30 -6.005 -6.467 4.273
221 1HZ LYS 30 1HZ LYS 30 -7.188 -8.427 3.955
222 2HZ LYS 30 2HZ LYS 30 -6.720 -8.579 2.337
223 3HZ LYS 30 3HZ LYS 30 -7.839 -7.392 2.786
224 H CYS 31 H CYS 31 -1.024 -2.148 1.530
225 HA CYS 31 HA CYS 31 -0.744 -0.644 -0.730
226 1HB CYS 31 2HB CYS 31 1.412 -2.575 0.077
227 2HB CYS 31 1HB CYS 31 1.582 -0.948 -0.572
228 H ASN 32 H ASN 32 0.567 -1.108 -2.628
229 HA ASN 32 HA ASN 32 -0.523 -3.419 -4.074
230 1HB ASN 32 2HB ASN 32 -0.804 -0.869 -4.585
231 2HB ASN 32 1HB ASN 32 0.733 -1.099 -5.369
232 1HD2 ASN 32 1HD2 ASN 32 0.578 -1.504 -7.457
233 2HD2 ASN 32 2HD2 ASN 32 -0.718 -2.335 -8.241
234 H ARG 33 H ARG 33 0.992 -3.508 -6.185
235 HA ARG 33 HA ARG 33 3.351 -4.907 -5.388
236 1HB ARG 33 2HB ARG 33 2.545 -3.950 -8.132
237 2HB ARG 33 1HB ARG 33 3.744 -5.183 -7.765
238 1HG ARG 33 2HG ARG 33 0.819 -5.403 -7.093
239 2HG ARG 33 1HG ARG 33 1.574 -6.091 -8.532
240 1HD ARG 33 2HD ARG 33 2.806 -7.634 -7.297
241 2HD ARG 33 1HD ARG 33 2.622 -6.724 -5.798
242 HE ARG 33 HE ARG 33 0.141 -7.713 -6.858
243 1HH1 ARG 33 1HH1 ARG 33 2.905 -8.474 -4.868
244 2HH1 ARG 33 2HH1 ARG 33 2.072 -9.689 -3.958
245 1HH2 ARG 33 1HH2 ARG 33 -0.956 -9.310 -5.662
246 2HH2 ARG 33 2HH2 ARG 33 -0.119 -10.164 -4.408
247 H CYS 34 H CYS 34 5.351 -4.462 -6.588
248 HA CYS 34 HA CYS 34 7.286 -3.335 -6.572
249 1HB CYS 34 2HB CYS 34 6.841 -2.610 -8.583
250 2HB CYS 34 1HB CYS 34 5.219 -2.144 -8.157
Start of MODEL 5
1 1H VAL 1 1HT VAL 1 -8.785 1.350 -6.900
2 2H VAL 1 2HT VAL 1 -8.863 0.546 -5.386
3 3H VAL 1 3HT VAL 1 -8.650 -0.357 -6.830
4 HA VAL 1 HA VAL 1 -6.640 -0.091 -5.500
5 HB VAL 1 HB VAL 1 -5.208 0.605 -7.404
6 1HG1 VAL 1 1HG1 VAL 1 -7.485 -1.182 -8.246
7 2HG1 VAL 1 2HG1 VAL 1 -6.147 -1.682 -7.213
8 3HG1 VAL 1 3HG1 VAL 1 -5.838 -1.189 -8.878
9 1HG2 VAL 1 1HG2 VAL 1 -7.837 1.256 -8.733
10 2HG2 VAL 1 2HG2 VAL 1 -6.263 1.224 -9.530
11 3HG2 VAL 1 3HG2 VAL 1 -6.590 2.413 -8.269
12 H SER 2 H SER 2 -5.210 1.218 -4.474
13 HA SER 2 HA SER 2 -4.343 3.080 -3.496
14 1HB SER 2 2HB SER 2 -5.482 4.753 -5.723
15 2HB SER 2 1HB SER 2 -3.990 4.993 -4.814
16 HG SER 2 HG SER 2 -3.552 4.167 -6.882
17 H CYS 3 H CYS 3 -4.970 4.519 -1.950
18 HA CYS 3 HA CYS 3 -7.851 5.129 -1.826
19 1HB CYS 3 2HB CYS 3 -6.027 4.924 0.565
20 2HB CYS 3 1HB CYS 3 -7.786 4.933 0.540
21 H THR 4 H THR 4 -8.269 7.041 -0.289
22 HA THR 4 HA THR 4 -6.219 9.115 -0.546
23 HB THR 4 HB THR 4 -8.169 10.702 -1.166
24 HG1 THR 4 1HG THR 4 -9.739 8.944 -0.843
25 1HG2 THR 4 1HG2 THR 4 -7.120 10.739 -3.105
26 2HG2 THR 4 2HG2 THR 4 -8.010 9.298 -3.600
27 3HG2 THR 4 3HG2 THR 4 -6.446 9.138 -2.800
28 H GLY 5 H GLY 5 -7.221 7.521 1.680
29 1HA GLY 5 2HA GLY 5 -8.940 9.210 3.251
30 2HA GLY 5 1HA GLY 5 -8.134 7.746 3.793
31 H SER 6 H SER 6 -6.862 8.141 5.459
32 HA SER 6 HA SER 6 -4.784 10.098 5.323
33 1HB SER 6 2HB SER 6 -6.814 10.546 7.511
34 2HB SER 6 1HB SER 6 -5.475 11.590 7.034
35 HG SER 6 HG SER 6 -7.998 11.523 6.094
36 H LYS 7 H LYS 7 -5.022 10.182 8.422
37 HA LYS 7 HA LYS 7 -3.846 9.217 10.087
38 1HB LYS 7 2HB LYS 7 -4.759 7.224 10.910
39 2HB LYS 7 1HB LYS 7 -6.069 8.005 10.043
40 1HG LYS 7 2HG LYS 7 -4.771 6.310 8.202
41 2HG LYS 7 1HG LYS 7 -4.970 5.397 9.696
42 1HD LYS 7 2HD LYS 7 -7.097 5.049 9.148
43 2HD LYS 7 1HD LYS 7 -7.382 6.784 9.304
44 1HE LYS 7 2HE LYS 7 -8.129 6.067 7.139
45 2HE LYS 7 1HE LYS 7 -6.686 7.062 6.949
46 1HZ LYS 7 1HZ LYS 7 -6.281 5.280 5.562
47 2HZ LYS 7 2HZ LYS 7 -6.979 4.151 6.609
48 3HZ LYS 7 3HZ LYS 7 -5.467 4.817 6.970
49 H ASP 8 H ASP 8 -2.528 9.220 7.504
50 HA ASP 8 HA ASP 8 -0.687 8.448 6.469
51 1HB ASP 8 2HB ASP 8 1.133 7.665 7.872
52 2HB ASP 8 1HB ASP 8 0.324 9.031 8.623
53 H CYS 9 H CYS 9 -2.490 7.016 5.626
54 HA CYS 9 HA CYS 9 -2.130 4.200 6.207
55 1HB CYS 9 2HB CYS 9 -4.309 5.513 5.499
56 2HB CYS 9 1HB CYS 9 -3.746 5.054 3.903
57 H TYR 10 H TYR 10 -2.175 5.978 3.159
58 HA TYR 10 HA TYR 10 -0.712 4.049 1.719
59 1HB TYR 10 2HB TYR 10 -2.091 6.423 1.168
60 2HB TYR 10 1HB TYR 10 -0.438 6.738 0.658
61 HD1 TYR 10 1HD TYR 10 -2.144 3.446 0.508
62 HD2 TYR 10 2HD TYR 10 -0.769 6.833 -1.668
63 HE1 TYR 10 1HE TYR 10 -2.584 2.262 -1.603
64 HE2 TYR 10 2HE TYR 10 -1.204 5.661 -3.783
65 HH TYR 10 HH TYR 10 -1.799 3.729 -4.738
66 H ALA 11 H ALA 11 0.305 6.382 3.989
67 HA ALA 11 HA ALA 11 2.850 6.983 2.879
68 1HB ALA 11 1HB ALA 11 2.303 8.595 4.369
69 2HB ALA 11 2HB ALA 11 3.268 7.573 5.434
70 3HB ALA 11 3HB ALA 11 1.507 7.469 5.468
71 HA PRO 12 HA PRO 12 4.785 4.030 6.298
72 1HB PRO 12 2HB PRO 12 2.859 2.069 6.950
73 2HB PRO 12 1HB PRO 12 3.474 3.341 8.007
74 1HG PRO 12 2HG PRO 12 0.981 3.267 6.383
75 2HG PRO 12 1HG PRO 12 1.275 4.016 7.962
76 1HD PRO 12 2HD PRO 12 1.094 5.508 5.763
77 2HD PRO 12 1HD PRO 12 2.292 5.891 7.019
78 H CYS 13 H CYS 13 2.418 3.110 3.904
79 HA CYS 13 HA CYS 13 3.879 0.688 3.247
80 1HB CYS 13 2HB CYS 13 1.195 1.534 3.017
81 2HB CYS 13 1HB CYS 13 1.794 1.122 1.425
82 H ARG 14 H ARG 14 2.864 3.688 1.594
83 HA ARG 14 HA ARG 14 3.962 3.181 -0.861
84 1HB ARG 14 2HB ARG 14 2.629 5.158 -0.490
85 2HB ARG 14 1HB ARG 14 3.830 5.812 0.615
86 1HG ARG 14 2HG ARG 14 5.156 5.311 -1.818
87 2HG ARG 14 1HG ARG 14 3.631 6.102 -2.218
88 1HD ARG 14 2HD ARG 14 5.674 7.101 -0.235
89 2HD ARG 14 1HD ARG 14 5.429 7.727 -1.865
90 HE ARG 14 HE ARG 14 3.907 8.362 0.454
91 1HH1 ARG 14 1HH1 ARG 14 3.668 7.942 -3.002
92 2HH1 ARG 14 2HH1 ARG 14 2.307 9.002 -3.162
93 1HH2 ARG 14 1HH2 ARG 14 2.117 9.755 0.246
94 2HH2 ARG 14 2HH2 ARG 14 1.427 10.031 -1.319
95 H LYS 15 H LYS 15 5.599 4.029 2.091
96 HA LYS 15 HA LYS 15 8.090 4.729 0.960
97 1HB LYS 15 2HB LYS 15 7.027 4.502 3.544
98 2HB LYS 15 1HB LYS 15 8.351 3.346 3.498
99 1HG LYS 15 2HG LYS 15 8.532 6.280 2.848
100 2HG LYS 15 1HG LYS 15 9.114 5.493 4.316
101 1HD LYS 15 2HD LYS 15 10.959 4.681 3.301
102 2HD LYS 15 1HD LYS 15 10.107 4.352 1.790
103 1HE LYS 15 2HE LYS 15 11.889 6.131 1.676
104 2HE LYS 15 1HE LYS 15 10.296 6.604 1.086
105 1HZ LYS 15 1HZ LYS 15 9.875 7.738 3.150
106 2HZ LYS 15 2HZ LYS 15 11.330 8.302 2.499
107 3HZ LYS 15 3HZ LYS 15 11.349 7.216 3.795
108 H GLN 16 H GLN 16 6.757 1.677 2.164
109 HA GLN 16 HA GLN 16 9.037 0.117 1.482
110 1HB GLN 16 2HB GLN 16 6.225 -0.897 1.865
111 2HB GLN 16 1HB GLN 16 7.730 -1.777 2.102
112 1HG GLN 16 2HG GLN 16 8.043 0.294 3.831
113 2HG GLN 16 1HG GLN 16 6.300 0.037 3.898
114 1HE2 GLN 16 1HE2 GLN 16 8.851 -0.604 5.592
115 2HE2 GLN 16 2HE2 GLN 16 8.529 -2.207 6.147
116 H THR 17 H THR 17 5.764 0.245 0.035
117 HA THR 17 HA THR 17 6.498 -1.334 -2.201
118 HB THR 17 HB THR 17 4.191 -1.180 -1.322
119 HG1 THR 17 1HG THR 17 4.324 -1.933 -3.377
120 1HG2 THR 17 1HG2 THR 17 2.763 0.679 -1.968
121 2HG2 THR 17 2HG2 THR 17 4.157 1.539 -2.612
122 3HG2 THR 17 3HG2 THR 17 4.046 1.211 -0.885
123 H GLY 18 H GLY 18 5.952 2.134 -1.831
124 1HA GLY 18 2HA GLY 18 6.997 3.853 -3.004
125 2HA GLY 18 1HA GLY 18 7.678 2.644 -4.078
126 H CYS 19 H CYS 19 6.971 4.233 -5.760
127 HA CYS 19 HA CYS 19 5.504 5.059 -7.300
128 1HB CYS 19 2HB CYS 19 3.996 3.284 -8.248
129 2HB CYS 19 1HB CYS 19 5.727 3.057 -8.312
130 HA PRO 20 HA PRO 20 1.634 6.390 -5.679
131 1HB PRO 20 2HB PRO 20 0.235 6.388 -8.199
132 2HB PRO 20 1HB PRO 20 0.978 7.748 -7.358
133 1HG PRO 20 2HG PRO 20 1.896 6.721 -9.731
134 2HG PRO 20 1HG PRO 20 2.904 7.607 -8.573
135 1HD PRO 20 2HD PRO 20 2.662 4.654 -9.009
136 2HD PRO 20 1HD PRO 20 4.108 5.632 -8.673
137 H TYR 21 H TYR 21 1.610 3.396 -7.407
138 HA TYR 21 HA TYR 21 -1.118 2.767 -7.161
139 1HB TYR 21 2HB TYR 21 0.842 0.562 -7.206
140 2HB TYR 21 1HB TYR 21 -0.549 0.865 -8.217
141 HD1 TYR 21 1HD TYR 21 2.759 0.344 -8.462
142 HD2 TYR 21 2HD TYR 21 -0.109 3.273 -9.600
143 HE1 TYR 21 1HE TYR 21 4.236 1.072 -10.289
144 HE2 TYR 21 2HE TYR 21 1.360 4.009 -11.431
145 HH TYR 21 HH TYR 21 3.738 3.954 -12.019
146 H GLY 22 H GLY 22 -1.927 0.888 -5.906
147 1HA GLY 22 2HA GLY 22 -0.662 -0.068 -3.580
148 2HA GLY 22 1HA GLY 22 -1.677 1.287 -3.141
149 H LYS 23 H LYS 23 -1.977 -1.537 -2.365
150 HA LYS 23 HA LYS 23 -4.495 -2.169 -3.732
151 1HB LYS 23 2HB LYS 23 -2.390 -3.822 -3.329
152 2HB LYS 23 1HB LYS 23 -3.323 -4.151 -1.877
153 1HG LYS 23 2HG LYS 23 -4.198 -5.719 -3.271
154 2HG LYS 23 1HG LYS 23 -5.298 -4.380 -3.603
155 1HD LYS 23 2HD LYS 23 -4.151 -3.828 -5.613
156 2HD LYS 23 1HD LYS 23 -2.817 -4.918 -5.223
157 1HE LYS 23 2HE LYS 23 -3.975 -6.779 -5.845
158 2HE LYS 23 1HE LYS 23 -5.534 -6.092 -5.391
159 1HZ LYS 23 1HZ LYS 23 -5.597 -4.823 -7.372
160 2HZ LYS 23 2HZ LYS 23 -5.173 -6.395 -7.828
161 3HZ LYS 23 3HZ LYS 23 -3.989 -5.190 -7.756
162 H CYS 24 H CYS 24 -3.888 -0.229 -1.505
163 HA CYS 24 HA CYS 24 -4.983 -1.208 0.896
164 1HB CYS 24 2HB CYS 24 -5.011 1.101 1.607
165 2HB CYS 24 1HB CYS 24 -3.538 0.803 0.699
166 H MET 25 H MET 25 -6.991 -1.101 1.761
167 HA MET 25 HA MET 25 -9.185 -0.115 0.072
168 1HB MET 25 2HB MET 25 -8.713 -2.755 0.273
169 2HB MET 25 1HB MET 25 -9.687 -2.534 1.720
170 1HG MET 25 2HG MET 25 -11.570 -1.970 0.535
171 2HG MET 25 1HG MET 25 -10.654 -1.422 -0.868
172 1HE MET 25 1HE MET 25 -9.759 -4.461 -2.821
173 2HE MET 25 2HE MET 25 -9.326 -2.826 -2.320
174 3HE MET 25 3HE MET 25 -10.844 -3.116 -3.169
175 H ASN 26 H ASN 26 -10.956 0.692 1.164
176 HA ASN 26 HA ASN 26 -10.538 2.116 3.468
177 1HB ASN 26 2HB ASN 26 -13.288 1.047 3.042
178 2HB ASN 26 1HB ASN 26 -12.777 2.672 3.472
179 1HD2 ASN 26 1HD2 ASN 26 -12.184 4.107 1.871
180 2HD2 ASN 26 2HD2 ASN 26 -12.516 3.825 0.199
181 H ARG 27 H ARG 27 -10.287 1.648 5.516
182 HA ARG 27 HA ARG 27 -10.444 0.642 7.551
183 1HB ARG 27 2HB ARG 27 -12.853 -0.012 6.410
184 2HB ARG 27 1HB ARG 27 -12.181 -1.594 6.780
185 1HG ARG 27 2HG ARG 27 -12.519 -1.347 8.968
186 2HG ARG 27 1HG ARG 27 -11.897 0.304 8.969
187 1HD ARG 27 2HD ARG 27 -14.152 0.496 9.604
188 2HD ARG 27 1HD ARG 27 -14.106 0.973 7.906
189 HE ARG 27 HE ARG 27 -14.698 -1.811 8.308
190 1HH1 ARG 27 1HH1 ARG 27 -16.049 1.402 8.118
191 2HH1 ARG 27 2HH1 ARG 27 -17.628 0.846 7.675
192 1HH2 ARG 27 1HH2 ARG 27 -16.774 -2.542 7.724
193 2HH2 ARG 27 2HH2 ARG 27 -18.040 -1.393 7.451
194 H LYS 28 H LYS 28 -8.629 -0.121 5.388
195 HA LYS 28 HA LYS 28 -7.080 -2.025 6.608
196 1HB LYS 28 2HB LYS 28 -8.875 -3.649 6.284
197 2HB LYS 28 1HB LYS 28 -8.906 -3.305 4.561
198 1HG LYS 28 2HG LYS 28 -7.636 -5.161 4.475
199 2HG LYS 28 1HG LYS 28 -6.336 -4.019 4.821
200 1HD LYS 28 2HD LYS 28 -5.922 -5.599 6.427
201 2HD LYS 28 1HD LYS 28 -7.008 -4.529 7.317
202 1HE LYS 28 2HE LYS 28 -7.702 -7.124 5.952
203 2HE LYS 28 1HE LYS 28 -7.711 -6.790 7.683
204 1HZ LYS 28 1HZ LYS 28 -9.515 -5.223 7.338
205 2HZ LYS 28 2HZ LYS 28 -9.942 -6.753 6.757
206 3HZ LYS 28 3HZ LYS 28 -9.501 -5.531 5.674
207 H CYS 29 H CYS 29 -5.383 -0.854 5.817
208 HA CYS 29 HA CYS 29 -5.115 -0.110 3.106
209 1HB CYS 29 2HB CYS 29 -3.920 0.457 5.555
210 2HB CYS 29 1HB CYS 29 -2.663 -0.113 4.509
211 H LYS 30 H LYS 30 -3.128 -0.722 1.855
212 HA LYS 30 HA LYS 30 -1.627 -2.992 2.294
213 1HB LYS 30 2HB LYS 30 -4.341 -3.623 1.520
214 2HB LYS 30 1HB LYS 30 -3.202 -4.219 0.320
215 1HG LYS 30 2HG LYS 30 -2.114 -5.595 1.870
216 2HG LYS 30 1HG LYS 30 -2.835 -4.758 3.247
217 1HD LYS 30 2HD LYS 30 -4.631 -6.094 1.280
218 2HD LYS 30 1HD LYS 30 -3.749 -7.094 2.437
219 1HE LYS 30 2HE LYS 30 -4.697 -5.829 4.282
220 2HE LYS 30 1HE LYS 30 -5.533 -4.768 3.149
221 1HZ LYS 30 1HZ LYS 30 -6.662 -6.896 4.258
222 2HZ LYS 30 2HZ LYS 30 -6.048 -7.614 2.856
223 3HZ LYS 30 3HZ LYS 30 -7.110 -6.303 2.738
224 H CYS 31 H CYS 31 -0.318 -1.403 1.377
225 HA CYS 31 HA CYS 31 -0.289 -0.149 -1.024
226 1HB CYS 31 2HB CYS 31 2.251 -0.896 -1.067
227 2HB CYS 31 1HB CYS 31 1.648 0.287 0.077
228 H ASN 32 H ASN 32 1.048 -0.602 -2.901
229 HA ASN 32 HA ASN 32 0.007 -2.935 -4.254
230 1HB ASN 32 2HB ASN 32 0.305 -0.449 -5.053
231 2HB ASN 32 1HB ASN 32 1.887 -1.025 -5.493
232 1HD2 ASN 32 1HD2 ASN 32 -1.388 -2.363 -5.652
233 2HD2 ASN 32 2HD2 ASN 32 -1.322 -2.786 -7.326
234 H ARG 33 H ARG 33 1.652 -3.788 -5.984
235 HA ARG 33 HA ARG 33 4.042 -4.679 -4.515
236 1HB ARG 33 2HB ARG 33 2.344 -6.428 -5.216
237 2HB ARG 33 1HB ARG 33 2.757 -6.053 -6.883
238 1HG ARG 33 2HG ARG 33 3.994 -7.972 -6.297
239 2HG ARG 33 1HG ARG 33 5.137 -6.629 -6.308
240 1HD ARG 33 2HD ARG 33 4.450 -6.511 -3.752
241 2HD ARG 33 1HD ARG 33 4.076 -8.212 -4.027
242 HE ARG 33 HE ARG 33 6.679 -7.011 -3.888
243 1HH1 ARG 33 1HH1 ARG 33 4.840 -9.693 -5.152
244 2HH1 ARG 33 2HH1 ARG 33 6.216 -10.738 -5.280
245 1HH2 ARG 33 1HH2 ARG 33 8.489 -8.384 -4.056
246 2HH2 ARG 33 2HH2 ARG 33 8.287 -9.995 -4.658
247 H CYS 34 H CYS 34 5.188 -2.839 -5.096
248 HA CYS 34 HA CYS 34 5.657 -2.230 -7.870
249 1HB CYS 34 2HB CYS 34 5.696 -0.786 -5.564
250 2HB CYS 34 1HB CYS 34 7.400 -0.958 -5.932
Start of MODEL 6
1 1H VAL 1 1HT VAL 1 -12.933 2.747 -5.984
2 2H VAL 1 2HT VAL 1 -12.934 1.036 -6.129
3 3H VAL 1 3HT VAL 1 -11.454 1.904 -6.183
4 HA VAL 1 HA VAL 1 -13.280 1.741 -3.882
5 HB VAL 1 HB VAL 1 -11.373 0.460 -2.859
6 1HG1 VAL 1 1HG1 VAL 1 -13.529 -0.443 -4.136
7 2HG1 VAL 1 2HG1 VAL 1 -12.321 -1.522 -3.437
8 3HG1 VAL 1 3HG1 VAL 1 -12.289 -1.162 -5.164
9 1HG2 VAL 1 1HG2 VAL 1 -9.762 -0.609 -4.327
10 2HG2 VAL 1 2HG2 VAL 1 -9.651 1.144 -4.479
11 3HG2 VAL 1 3HG2 VAL 1 -10.468 0.201 -5.726
12 H SER 2 H SER 2 -12.767 3.028 -2.180
13 HA SER 2 HA SER 2 -10.545 4.915 -2.588
14 1HB SER 2 2HB SER 2 -12.010 6.187 -0.746
15 2HB SER 2 1HB SER 2 -12.345 6.330 -2.471
16 HG SER 2 HG SER 2 -14.239 5.843 -1.329
17 H CYS 3 H CYS 3 -9.023 5.184 -1.034
18 HA CYS 3 HA CYS 3 -8.608 3.146 0.864
19 1HB CYS 3 2HB CYS 3 -7.357 5.895 0.760
20 2HB CYS 3 1HB CYS 3 -6.746 4.519 1.669
21 H THR 4 H THR 4 -7.977 3.903 3.196
22 HA THR 4 HA THR 4 -10.463 4.855 4.378
23 HB THR 4 HB THR 4 -9.642 2.820 5.314
24 HG1 THR 4 1HG THR 4 -8.896 4.865 7.126
25 1HG2 THR 4 1HG2 THR 4 -7.063 3.952 4.913
26 2HG2 THR 4 2HG2 THR 4 -7.500 2.301 5.353
27 3HG2 THR 4 3HG2 THR 4 -7.244 3.511 6.611
28 H GLY 5 H GLY 5 -8.421 6.657 3.085
29 1HA GLY 5 2HA GLY 5 -7.349 8.655 3.492
30 2HA GLY 5 1HA GLY 5 -8.703 8.923 4.577
31 H SER 6 H SER 6 -6.346 6.384 5.078
32 HA SER 6 HA SER 6 -5.847 7.049 7.734
33 1HB SER 6 2HB SER 6 -3.562 5.740 6.497
34 2HB SER 6 1HB SER 6 -4.676 5.132 7.720
35 HG SER 6 HG SER 6 -5.110 3.856 6.046
36 H LYS 7 H LYS 7 -3.618 7.565 8.620
37 HA LYS 7 HA LYS 7 -2.483 9.822 7.104
38 1HB LYS 7 2HB LYS 7 -2.506 9.479 10.105
39 2HB LYS 7 1HB LYS 7 -1.971 10.894 9.208
40 1HG LYS 7 2HG LYS 7 -4.021 11.668 9.652
41 2HG LYS 7 1HG LYS 7 -4.514 10.641 8.304
42 1HD LYS 7 2HD LYS 7 -4.338 9.288 10.910
43 2HD LYS 7 1HD LYS 7 -5.589 10.527 10.790
44 1HE LYS 7 2HE LYS 7 -5.935 9.215 8.445
45 2HE LYS 7 1HE LYS 7 -5.390 7.900 9.485
46 1HZ LYS 7 1HZ LYS 7 -7.230 8.050 10.798
47 2HZ LYS 7 2HZ LYS 7 -7.905 8.536 9.326
48 3HZ LYS 7 3HZ LYS 7 -7.482 9.694 10.483
49 H ASP 8 H ASP 8 -1.820 6.860 8.776
50 HA ASP 8 HA ASP 8 1.030 7.190 8.130
51 1HB ASP 8 2HB ASP 8 0.164 7.228 10.681
52 2HB ASP 8 1HB ASP 8 0.352 5.491 10.462
53 H CYS 9 H CYS 9 -1.090 5.899 6.610
54 HA CYS 9 HA CYS 9 -0.329 3.082 6.826
55 1HB CYS 9 2HB CYS 9 -2.786 3.923 6.759
56 2HB CYS 9 1HB CYS 9 -2.493 4.026 5.039
57 H TYR 10 H TYR 10 -1.331 5.111 4.129
58 HA TYR 10 HA TYR 10 0.177 3.756 2.208
59 1HB TYR 10 2HB TYR 10 -1.346 6.269 2.352
60 2HB TYR 10 1HB TYR 10 -0.052 6.278 1.161
61 HD1 TYR 10 1HD TYR 10 -1.876 6.572 -0.529
62 HD2 TYR 10 2HD TYR 10 -1.541 3.052 1.838
63 HE1 TYR 10 1HE TYR 10 -3.321 5.373 -2.115
64 HE2 TYR 10 2HE TYR 10 -2.978 1.845 0.257
65 HH TYR 10 HH TYR 10 -3.899 3.192 -2.799
66 H ALA 11 H ALA 11 1.166 5.997 4.608
67 HA ALA 11 HA ALA 11 3.441 7.018 3.222
68 1HB ALA 11 1HB ALA 11 4.115 7.449 5.782
69 2HB ALA 11 2HB ALA 11 2.379 7.203 5.969
70 3HB ALA 11 3HB ALA 11 2.978 8.466 4.895
71 HA PRO 12 HA PRO 12 6.154 4.053 5.956
72 1HB PRO 12 2HB PRO 12 4.647 1.974 7.054
73 2HB PRO 12 1HB PRO 12 5.281 3.365 7.937
74 1HG PRO 12 2HG PRO 12 2.550 2.907 6.827
75 2HG PRO 12 1HG PRO 12 3.032 3.705 8.336
76 1HD PRO 12 2HD PRO 12 2.250 5.122 6.205
77 2HD PRO 12 1HD PRO 12 3.563 5.694 7.258
78 H CYS 13 H CYS 13 3.379 3.137 4.099
79 HA CYS 13 HA CYS 13 4.582 0.697 3.127
80 1HB CYS 13 2HB CYS 13 2.004 1.527 3.475
81 2HB CYS 13 1HB CYS 13 2.219 1.631 1.740
82 H ARG 14 H ARG 14 3.495 3.793 1.741
83 HA ARG 14 HA ARG 14 4.257 3.357 -0.855
84 1HB ARG 14 2HB ARG 14 3.022 5.343 -0.252
85 2HB ARG 14 1HB ARG 14 4.362 5.933 0.720
86 1HG ARG 14 2HG ARG 14 5.508 6.698 -1.072
87 2HG ARG 14 1HG ARG 14 4.928 5.412 -2.132
88 1HD ARG 14 2HD ARG 14 2.718 6.514 -2.198
89 2HD ARG 14 1HD ARG 14 3.368 7.826 -1.217
90 HE ARG 14 HE ARG 14 3.758 7.408 -4.026
91 1HH1 ARG 14 1HH1 ARG 14 5.129 8.827 -1.148
92 2HH1 ARG 14 2HH1 ARG 14 6.061 9.998 -2.018
93 1HH2 ARG 14 1HH2 ARG 14 4.983 8.949 -5.172
94 2HH2 ARG 14 2HH2 ARG 14 5.977 10.068 -4.302
95 H LYS 15 H LYS 15 6.242 4.160 1.896
96 HA LYS 15 HA LYS 15 8.606 4.806 0.502
97 1HB LYS 15 2HB LYS 15 7.827 4.235 3.239
98 2HB LYS 15 1HB LYS 15 9.387 3.519 2.864
99 1HG LYS 15 2HG LYS 15 10.045 5.573 3.600
100 2HG LYS 15 1HG LYS 15 9.880 5.901 1.874
101 1HD LYS 15 2HD LYS 15 7.359 6.405 2.729
102 2HD LYS 15 1HD LYS 15 8.291 6.880 4.150
103 1HE LYS 15 2HE LYS 15 9.574 8.439 2.876
104 2HE LYS 15 1HE LYS 15 8.897 7.842 1.361
105 1HZ LYS 15 1HZ LYS 15 6.915 8.901 1.724
106 2HZ LYS 15 2HZ LYS 15 7.978 9.999 2.449
107 3HZ LYS 15 3HZ LYS 15 7.089 8.926 3.407
108 H GLN 16 H GLN 16 7.320 1.770 1.782
109 HA GLN 16 HA GLN 16 9.487 0.159 0.888
110 1HB GLN 16 2HB GLN 16 7.503 -0.228 2.656
111 2HB GLN 16 1HB GLN 16 6.824 -1.080 1.275
112 1HG GLN 16 2HG GLN 16 9.621 -1.623 2.181
113 2HG GLN 16 1HG GLN 16 8.246 -2.381 2.981
114 1HE2 GLN 16 1HE2 GLN 16 8.059 -4.388 2.310
115 2HE2 GLN 16 2HE2 GLN 16 8.201 -4.937 0.678
116 H THR 17 H THR 17 6.109 0.369 -0.294
117 HA THR 17 HA THR 17 6.638 -1.199 -2.598
118 HB THR 17 HB THR 17 4.417 -1.169 -1.732
119 HG1 THR 17 1HG THR 17 4.728 -1.130 -4.087
120 1HG2 THR 17 1HG2 THR 17 3.977 0.784 -0.638
121 2HG2 THR 17 2HG2 THR 17 3.081 1.041 -2.134
122 3HG2 THR 17 3HG2 THR 17 4.666 1.784 -1.915
123 H GLY 18 H GLY 18 6.942 2.194 -1.949
124 1HA GLY 18 2HA GLY 18 7.909 3.814 -3.289
125 2HA GLY 18 1HA GLY 18 8.115 2.602 -4.519
126 H CYS 19 H CYS 19 6.745 2.461 -6.099
127 HA CYS 19 HA CYS 19 5.453 4.251 -7.376
128 1HB CYS 19 2HB CYS 19 3.640 2.602 -7.979
129 2HB CYS 19 1HB CYS 19 5.313 2.225 -8.323
130 HA PRO 20 HA PRO 20 2.361 6.298 -4.930
131 1HB PRO 20 2HB PRO 20 1.052 6.940 -7.498
132 2HB PRO 20 1HB PRO 20 1.682 8.022 -6.252
133 1HG PRO 20 2HG PRO 20 2.939 7.717 -8.592
134 2HG PRO 20 1HG PRO 20 3.839 7.932 -7.079
135 1HD PRO 20 2HD PRO 20 3.314 5.428 -8.634
136 2HD PRO 20 1HD PRO 20 4.796 5.955 -7.812
137 H TYR 21 H TYR 21 1.640 3.676 -7.038
138 HA TYR 21 HA TYR 21 -1.159 3.654 -6.781
139 1HB TYR 21 2HB TYR 21 0.263 1.089 -7.141
140 2HB TYR 21 1HB TYR 21 -1.053 1.793 -8.044
141 HD1 TYR 21 1HD TYR 21 1.881 0.490 -8.691
142 HD2 TYR 21 2HD TYR 21 0.031 4.307 -9.015
143 HE1 TYR 21 1HE TYR 21 3.425 1.077 -10.512
144 HE2 TYR 21 2HE TYR 21 1.570 4.905 -10.837
145 HH TYR 21 HH TYR 21 4.332 3.022 -11.603
146 H GLY 22 H GLY 22 -2.365 1.883 -5.686
147 1HA GLY 22 2HA GLY 22 -1.116 0.767 -3.316
148 2HA GLY 22 1HA GLY 22 -2.361 1.948 -3.013
149 H LYS 23 H LYS 23 -2.358 -0.856 -2.244
150 HA LYS 23 HA LYS 23 -4.476 -1.939 -3.951
151 1HB LYS 23 2HB LYS 23 -2.273 -3.185 -2.954
152 2HB LYS 23 1HB LYS 23 -3.459 -3.577 -1.716
153 1HG LYS 23 2HG LYS 23 -4.927 -4.532 -3.417
154 2HG LYS 23 1HG LYS 23 -3.741 -4.133 -4.663
155 1HD LYS 23 2HD LYS 23 -2.095 -5.564 -3.453
156 2HD LYS 23 1HD LYS 23 -3.395 -6.054 -2.364
157 1HE LYS 23 2HE LYS 23 -3.975 -6.312 -5.240
158 2HE LYS 23 1HE LYS 23 -2.718 -7.381 -4.620
159 1HZ LYS 23 1HZ LYS 23 -4.492 -7.794 -2.764
160 2HZ LYS 23 2HZ LYS 23 -4.570 -8.629 -4.234
161 3HZ LYS 23 3HZ LYS 23 -5.573 -7.294 -3.965
162 H CYS 24 H CYS 24 -4.333 0.111 -1.559
163 HA CYS 24 HA CYS 24 -5.690 -0.665 0.640
164 1HB CYS 24 2HB CYS 24 -6.093 1.569 1.029
165 2HB CYS 24 1HB CYS 24 -4.826 1.663 -0.180
166 H MET 25 H MET 25 -7.636 -1.356 1.189
167 HA MET 25 HA MET 25 -9.754 -1.356 -0.862
168 1HB MET 25 2HB MET 25 -8.982 -3.367 1.229
169 2HB MET 25 1HB MET 25 -10.634 -3.309 0.629
170 1HG MET 25 2HG MET 25 -9.421 -3.384 -1.707
171 2HG MET 25 1HG MET 25 -8.135 -4.119 -0.753
172 1HE MET 25 1HE MET 25 -7.962 -6.186 0.034
173 2HE MET 25 2HE MET 25 -9.052 -7.556 -0.174
174 3HE MET 25 3HE MET 25 -9.276 -6.448 1.180
175 H ASN 26 H ASN 26 -11.822 -0.795 -0.270
176 HA ASN 26 HA ASN 26 -12.192 1.241 1.532
177 1HB ASN 26 2HB ASN 26 -14.506 -0.590 1.193
178 2HB ASN 26 1HB ASN 26 -14.435 1.160 1.069
179 1HD2 ASN 26 1HD2 ASN 26 -14.952 1.811 -0.876
180 2HD2 ASN 26 2HD2 ASN 26 -14.508 1.051 -2.363
181 H ARG 27 H ARG 27 -12.135 1.385 3.637
182 HA ARG 27 HA ARG 27 -12.405 0.939 5.853
183 1HB ARG 27 2HB ARG 27 -14.417 -0.554 4.722
184 2HB ARG 27 1HB ARG 27 -13.507 -1.768 5.611
185 1HG ARG 27 2HG ARG 27 -13.834 0.520 7.274
186 2HG ARG 27 1HG ARG 27 -15.402 0.079 6.595
187 1HD ARG 27 2HD ARG 27 -14.751 -2.328 7.282
188 2HD ARG 27 1HD ARG 27 -13.563 -1.540 8.319
189 HE ARG 27 HE ARG 27 -15.259 -1.045 9.750
190 1HH1 ARG 27 1HH1 ARG 27 -16.629 -1.500 6.573
191 2HH1 ARG 27 2HH1 ARG 27 -18.262 -1.301 7.112
192 1HH2 ARG 27 1HH2 ARG 27 -17.407 -0.785 10.461
193 2HH2 ARG 27 2HH2 ARG 27 -18.704 -0.896 9.319
194 H LYS 28 H LYS 28 -10.141 0.117 4.205
195 HA LYS 28 HA LYS 28 -8.514 -1.052 6.102
196 1HB LYS 28 2HB LYS 28 -10.227 -3.002 5.088
197 2HB LYS 28 1HB LYS 28 -8.720 -3.264 4.223
198 1HG LYS 28 2HG LYS 28 -8.748 -4.631 6.189
199 2HG LYS 28 1HG LYS 28 -7.537 -3.364 6.390
200 1HD LYS 28 2HD LYS 28 -9.381 -2.055 7.595
201 2HD LYS 28 1HD LYS 28 -10.246 -3.592 7.667
202 1HE LYS 28 2HE LYS 28 -8.850 -4.456 9.218
203 2HE LYS 28 1HE LYS 28 -7.430 -3.669 8.530
204 1HZ LYS 28 1HZ LYS 28 -9.272 -2.720 10.574
205 2HZ LYS 28 2HZ LYS 28 -8.710 -1.559 9.480
206 3HZ LYS 28 3HZ LYS 28 -7.609 -2.452 10.405
207 H CYS 29 H CYS 29 -6.924 0.270 5.345
208 HA CYS 29 HA CYS 29 -6.293 0.567 2.613
209 1HB CYS 29 2HB CYS 29 -5.541 2.398 3.669
210 2HB CYS 29 1HB CYS 29 -5.311 1.554 5.177
211 H LYS 30 H LYS 30 -4.148 0.112 1.700
212 HA LYS 30 HA LYS 30 -2.326 -1.713 2.667
213 1HB LYS 30 2HB LYS 30 -3.096 -3.718 1.153
214 2HB LYS 30 1HB LYS 30 -3.712 -3.540 2.790
215 1HG LYS 30 2HG LYS 30 -5.791 -2.746 2.032
216 2HG LYS 30 1HG LYS 30 -5.176 -2.467 0.403
217 1HD LYS 30 2HD LYS 30 -6.529 -4.455 0.392
218 2HD LYS 30 1HD LYS 30 -4.841 -4.914 0.164
219 1HE LYS 30 2HE LYS 30 -5.506 -6.452 1.735
220 2HE LYS 30 1HE LYS 30 -4.869 -5.171 2.766
221 1HZ LYS 30 1HZ LYS 30 -7.676 -5.907 2.252
222 2HZ LYS 30 2HZ LYS 30 -7.289 -4.341 2.759
223 3HZ LYS 30 3HZ LYS 30 -6.890 -5.666 3.732
224 H CYS 31 H CYS 31 -1.102 -0.220 1.577
225 HA CYS 31 HA CYS 31 -1.030 0.720 -0.950
226 1HB CYS 31 2HB CYS 31 1.299 0.976 -0.745
227 2HB CYS 31 1HB CYS 31 0.675 1.030 0.899
228 H ASN 32 H ASN 32 0.440 0.182 -2.692
229 HA ASN 32 HA ASN 32 -0.259 -2.419 -3.760
230 1HB ASN 32 2HB ASN 32 -0.322 -0.035 -4.855
231 2HB ASN 32 1HB ASN 32 1.343 -0.412 -5.217
232 1HD2 ASN 32 1HD2 ASN 32 -1.923 -1.716 -5.496
233 2HD2 ASN 32 2HD2 ASN 32 -1.665 -2.529 -6.999
234 H ARG 33 H ARG 33 1.545 -3.214 -5.361
235 HA ARG 33 HA ARG 33 4.213 -3.054 -4.277
236 1HB ARG 33 2HB ARG 33 2.666 -4.992 -3.174
237 2HB ARG 33 1HB ARG 33 3.312 -5.860 -4.560
238 1HG ARG 33 2HG ARG 33 4.721 -6.262 -2.670
239 2HG ARG 33 1HG ARG 33 5.596 -5.247 -3.818
240 1HD ARG 33 2HD ARG 33 5.636 -3.473 -2.418
241 2HD ARG 33 1HD ARG 33 4.030 -3.812 -1.775
242 HE ARG 33 HE ARG 33 6.551 -4.690 -0.708
243 1HH1 ARG 33 1HH1 ARG 33 3.128 -5.350 -0.869
244 2HH1 ARG 33 2HH1 ARG 33 3.102 -6.240 0.616
245 1HH2 ARG 33 1HH2 ARG 33 6.519 -5.861 1.246
246 2HH2 ARG 33 2HH2 ARG 33 5.027 -6.529 1.818
247 H CYS 34 H CYS 34 4.337 -2.080 -6.346
248 HA CYS 34 HA CYS 34 3.977 -3.475 -8.726
249 1HB CYS 34 2HB CYS 34 5.193 -1.478 -9.513
250 2HB CYS 34 1HB CYS 34 3.785 -1.110 -8.586
Start of MODEL 7
1 1H VAL 1 1HT VAL 1 -8.419 6.205 -9.116
2 2H VAL 1 2HT VAL 1 -9.489 6.211 -7.774
3 3H VAL 1 3HT VAL 1 -9.504 4.899 -8.881
4 HA VAL 1 HA VAL 1 -7.599 4.023 -8.121
5 HB VAL 1 HB VAL 1 -5.972 5.276 -6.729
6 1HG1 VAL 1 1HG1 VAL 1 -6.432 6.822 -9.255
7 2HG1 VAL 1 2HG1 VAL 1 -5.952 5.126 -9.298
8 3HG1 VAL 1 3HG1 VAL 1 -4.909 6.318 -8.522
9 1HG2 VAL 1 1HG2 VAL 1 -7.562 6.926 -5.818
10 2HG2 VAL 1 2HG2 VAL 1 -7.657 7.684 -7.408
11 3HG2 VAL 1 3HG2 VAL 1 -6.132 7.683 -6.521
12 H SER 2 H SER 2 -7.529 2.761 -6.325
13 HA SER 2 HA SER 2 -9.643 3.025 -4.429
14 1HB SER 2 2HB SER 2 -7.305 1.154 -4.115
15 2HB SER 2 1HB SER 2 -8.979 0.921 -3.610
16 HG SER 2 HG SER 2 -9.459 0.979 -5.945
17 H CYS 3 H CYS 3 -9.648 4.177 -2.624
18 HA CYS 3 HA CYS 3 -8.966 5.383 -0.821
19 1HB CYS 3 2HB CYS 3 -6.377 3.878 -0.730
20 2HB CYS 3 1HB CYS 3 -7.401 4.411 0.596
21 H THR 4 H THR 4 -7.232 6.878 0.000
22 HA THR 4 HA THR 4 -5.543 7.869 -2.197
23 HB THR 4 HB THR 4 -6.071 10.186 -1.462
24 HG1 THR 4 1HG THR 4 -6.823 9.438 0.673
25 1HG2 THR 4 1HG2 THR 4 -7.690 10.302 -2.962
26 2HG2 THR 4 2HG2 THR 4 -8.789 9.375 -1.941
27 3HG2 THR 4 3HG2 THR 4 -7.673 8.540 -3.022
28 H GLY 5 H GLY 5 -4.760 6.177 -0.048
29 1HA GLY 5 2HA GLY 5 -2.976 5.993 1.389
30 2HA GLY 5 1HA GLY 5 -2.494 7.607 0.887
31 H SER 6 H SER 6 -5.606 6.852 2.315
32 HA SER 6 HA SER 6 -5.466 8.897 4.214
33 1HB SER 6 2HB SER 6 -7.193 6.711 5.060
34 2HB SER 6 1HB SER 6 -7.617 8.352 4.575
35 HG SER 6 HG SER 6 -8.075 7.658 2.638
36 H LYS 7 H LYS 7 -5.709 8.507 6.619
37 HA LYS 7 HA LYS 7 -4.521 8.120 8.523
38 1HB LYS 7 2HB LYS 7 -4.577 5.796 9.274
39 2HB LYS 7 1HB LYS 7 -6.102 6.265 8.541
40 1HG LYS 7 2HG LYS 7 -4.160 4.992 6.733
41 2HG LYS 7 1HG LYS 7 -4.814 3.970 8.010
42 1HD LYS 7 2HD LYS 7 -6.855 3.899 7.078
43 2HD LYS 7 1HD LYS 7 -6.822 5.610 6.649
44 1HE LYS 7 2HE LYS 7 -5.964 5.215 4.585
45 2HE LYS 7 1HE LYS 7 -5.030 3.819 5.123
46 1HZ LYS 7 1HZ LYS 7 -7.391 2.776 5.374
47 2HZ LYS 7 2HZ LYS 7 -6.634 2.822 3.862
48 3HZ LYS 7 3HZ LYS 7 -7.825 3.960 4.245
49 H ASP 8 H ASP 8 -2.905 8.545 6.184
50 HA ASP 8 HA ASP 8 -0.777 8.383 5.415
51 1HB ASP 8 2HB ASP 8 0.962 8.413 7.093
52 2HB ASP 8 1HB ASP 8 -0.384 9.421 7.609
53 H CYS 9 H CYS 9 -2.007 6.252 4.740
54 HA CYS 9 HA CYS 9 -0.543 3.884 5.591
55 1HB CYS 9 2HB CYS 9 -3.104 4.103 5.091
56 2HB CYS 9 1HB CYS 9 -2.575 3.780 3.454
57 H TYR 10 H TYR 10 -1.572 5.023 2.407
58 HA TYR 10 HA TYR 10 0.262 3.610 0.908
59 1HB TYR 10 2HB TYR 10 -1.141 6.221 0.397
60 2HB TYR 10 1HB TYR 10 -0.060 5.512 -0.795
61 HD1 TYR 10 1HD TYR 10 -1.871 3.116 1.192
62 HD2 TYR 10 2HD TYR 10 -2.103 5.564 -2.283
63 HE1 TYR 10 1HE TYR 10 -3.714 1.730 0.345
64 HE2 TYR 10 2HE TYR 10 -3.948 4.184 -3.138
65 HH TYR 10 HH TYR 10 -5.712 2.661 -2.168
66 H ALA 11 H ALA 11 0.825 6.381 2.883
67 HA ALA 11 HA ALA 11 3.133 7.335 1.521
68 1HB ALA 11 1HB ALA 11 1.829 7.883 4.123
69 2HB ALA 11 2HB ALA 11 2.346 8.995 2.854
70 3HB ALA 11 3HB ALA 11 3.533 8.314 3.967
71 HA PRO 12 HA PRO 12 5.737 5.155 5.040
72 1HB PRO 12 2HB PRO 12 4.277 3.064 6.195
73 2HB PRO 12 1HB PRO 12 4.658 4.608 6.962
74 1HG PRO 12 2HG PRO 12 2.161 3.738 5.584
75 2HG PRO 12 1HG PRO 12 2.358 4.770 7.013
76 1HD PRO 12 2HD PRO 12 1.762 5.812 4.620
77 2HD PRO 12 1HD PRO 12 2.862 6.648 5.738
78 H CYS 13 H CYS 13 3.338 3.649 3.031
79 HA CYS 13 HA CYS 13 4.880 1.263 2.554
80 1HB CYS 13 2HB CYS 13 2.247 1.816 2.431
81 2HB CYS 13 1HB CYS 13 2.686 1.922 0.741
82 H ARG 14 H ARG 14 3.751 3.981 0.567
83 HA ARG 14 HA ARG 14 5.042 3.341 -1.758
84 1HB ARG 14 2HB ARG 14 3.670 5.170 -2.044
85 2HB ARG 14 1HB ARG 14 4.139 5.892 -0.515
86 1HG ARG 14 2HG ARG 14 6.264 5.838 -2.539
87 2HG ARG 14 1HG ARG 14 4.859 6.819 -2.956
88 1HD ARG 14 2HD ARG 14 5.715 8.434 -1.692
89 2HD ARG 14 1HD ARG 14 5.387 7.421 -0.287
90 HE ARG 14 HE ARG 14 7.634 7.188 -0.052
91 1HH1 ARG 14 1HH1 ARG 14 6.975 7.851 -3.414
92 2HH1 ARG 14 2HH1 ARG 14 8.645 7.865 -3.868
93 1HH2 ARG 14 1HH2 ARG 14 9.832 7.208 -0.646
94 2HH2 ARG 14 2HH2 ARG 14 10.268 7.500 -2.297
95 H LYS 15 H LYS 15 6.344 4.916 1.098
96 HA LYS 15 HA LYS 15 8.850 5.627 0.083
97 1HB LYS 15 2HB LYS 15 7.605 5.633 2.592
98 2HB LYS 15 1HB LYS 15 9.017 4.608 2.797
99 1HG LYS 15 2HG LYS 15 10.471 6.320 2.548
100 2HG LYS 15 1HG LYS 15 9.443 7.170 1.394
101 1HD LYS 15 2HD LYS 15 9.109 8.572 3.132
102 2HD LYS 15 1HD LYS 15 7.925 7.357 3.615
103 1HE LYS 15 2HE LYS 15 10.799 7.311 4.510
104 2HE LYS 15 1HE LYS 15 9.518 8.115 5.417
105 1HZ LYS 15 1HZ LYS 15 10.055 5.786 6.123
106 2HZ LYS 15 2HZ LYS 15 9.395 5.254 4.659
107 3HZ LYS 15 3HZ LYS 15 8.423 6.073 5.775
108 H GLN 16 H GLN 16 7.658 2.615 1.520
109 HA GLN 16 HA GLN 16 10.131 1.222 1.248
110 1HB GLN 16 2HB GLN 16 7.308 0.439 1.873
111 2HB GLN 16 1HB GLN 16 8.498 -0.804 1.514
112 1HG GLN 16 2HG GLN 16 9.829 0.709 3.340
113 2HG GLN 16 1HG GLN 16 8.163 0.854 3.899
114 1HE2 GLN 16 1HE2 GLN 16 10.839 -1.284 3.375
115 2HE2 GLN 16 2HE2 GLN 16 10.203 -2.632 4.249
116 H THR 17 H THR 17 7.017 0.675 -0.408
117 HA THR 17 HA THR 17 8.190 -0.884 -2.459
118 HB THR 17 HB THR 17 5.640 0.057 -3.260
119 HG1 THR 17 1HG THR 17 4.622 0.366 -1.476
120 1HG2 THR 17 1HG2 THR 17 6.816 -2.311 -3.265
121 2HG2 THR 17 2HG2 THR 17 5.062 -2.132 -3.301
122 3HG2 THR 17 3HG2 THR 17 5.880 -2.491 -1.781
123 H GLY 18 H GLY 18 6.543 2.237 -2.649
124 1HA GLY 18 2HA GLY 18 7.980 3.932 -3.892
125 2HA GLY 18 1HA GLY 18 7.850 2.751 -5.165
126 H CYS 19 H CYS 19 6.291 3.047 -6.556
127 HA CYS 19 HA CYS 19 4.633 4.972 -6.988
128 1HB CYS 19 2HB CYS 19 2.884 3.231 -7.717
129 2HB CYS 19 1HB CYS 19 4.386 3.479 -8.567
130 HA PRO 20 HA PRO 20 1.771 5.514 -3.672
131 1HB PRO 20 2HB PRO 20 -0.059 7.086 -4.856
132 2HB PRO 20 1HB PRO 20 1.575 7.651 -4.489
133 1HG PRO 20 2HG PRO 20 0.447 6.673 -7.086
134 2HG PRO 20 1HG PRO 20 1.489 8.074 -6.777
135 1HD PRO 20 2HD PRO 20 2.425 5.690 -7.709
136 2HD PRO 20 1HD PRO 20 3.397 6.797 -6.721
137 H TYR 21 H TYR 21 1.086 3.376 -6.102
138 HA TYR 21 HA TYR 21 -1.716 3.175 -5.919
139 1HB TYR 21 2HB TYR 21 -0.111 0.767 -6.556
140 2HB TYR 21 1HB TYR 21 -1.500 1.450 -7.354
141 HD1 TYR 21 1HD TYR 21 -0.508 4.209 -7.908
142 HD2 TYR 21 2HD TYR 21 1.358 0.411 -8.352
143 HE1 TYR 21 1HE TYR 21 0.916 5.123 -9.692
144 HE2 TYR 21 2HE TYR 21 2.790 1.315 -10.134
145 HH TYR 21 HH TYR 21 3.638 3.470 -10.900
146 H GLY 22 H GLY 22 -2.820 1.203 -5.078
147 1HA GLY 22 2HA GLY 22 -1.614 -0.304 -2.984
148 2HA GLY 22 1HA GLY 22 -2.608 0.965 -2.336
149 H LYS 23 H LYS 23 -2.953 -1.943 -2.108
150 HA LYS 23 HA LYS 23 -5.356 -2.405 -3.698
151 1HB LYS 23 2HB LYS 23 -3.380 -4.118 -3.211
152 2HB LYS 23 1HB LYS 23 -4.337 -4.437 -1.771
153 1HG LYS 23 2HG LYS 23 -4.985 -6.021 -3.401
154 2HG LYS 23 1HG LYS 23 -6.298 -4.847 -3.275
155 1HD LYS 23 2HD LYS 23 -5.236 -3.657 -5.246
156 2HD LYS 23 1HD LYS 23 -4.219 -5.087 -5.438
157 1HE LYS 23 2HE LYS 23 -6.537 -6.333 -5.352
158 2HE LYS 23 1HE LYS 23 -7.149 -4.761 -5.867
159 1HZ LYS 23 1HZ LYS 23 -6.203 -4.955 -7.890
160 2HZ LYS 23 2HZ LYS 23 -6.311 -6.610 -7.562
161 3HZ LYS 23 3HZ LYS 23 -4.850 -5.795 -7.320
162 H CYS 24 H CYS 24 -4.780 -0.739 -1.093
163 HA CYS 24 HA CYS 24 -6.162 -1.651 1.073
164 1HB CYS 24 2HB CYS 24 -5.239 0.354 1.569
165 2HB CYS 24 1HB CYS 24 -5.474 0.981 -0.049
166 H MET 25 H MET 25 -8.178 -2.191 1.507
167 HA MET 25 HA MET 25 -10.281 -1.509 -0.434
168 1HB MET 25 2HB MET 25 -9.612 -3.965 0.352
169 2HB MET 25 1HB MET 25 -10.695 -3.572 1.680
170 1HG MET 25 2HG MET 25 -12.139 -4.565 0.218
171 2HG MET 25 1HG MET 25 -12.323 -2.870 -0.231
172 1HE MET 25 1HE MET 25 -13.554 -4.069 -1.944
173 2HE MET 25 2HE MET 25 -12.905 -5.278 -3.051
174 3HE MET 25 3HE MET 25 -12.869 -3.571 -3.492
175 H ASN 26 H ASN 26 -12.228 -0.673 0.252
176 HA ASN 26 HA ASN 26 -12.258 1.264 2.169
177 1HB ASN 26 2HB ASN 26 -14.829 -0.182 1.939
178 2HB ASN 26 1HB ASN 26 -14.486 1.532 1.775
179 1HD2 ASN 26 1HD2 ASN 26 -15.181 -1.330 0.160
180 2HD2 ASN 26 2HD2 ASN 26 -14.890 -0.787 -1.454
181 H ARG 27 H ARG 27 -12.006 1.272 4.264
182 HA ARG 27 HA ARG 27 -12.246 0.773 6.478
183 1HB ARG 27 2HB ARG 27 -14.502 -0.374 5.418
184 2HB ARG 27 1HB ARG 27 -13.717 -1.749 6.181
185 1HG ARG 27 2HG ARG 27 -14.221 -1.040 8.232
186 2HG ARG 27 1HG ARG 27 -13.755 0.622 7.870
187 1HD ARG 27 2HD ARG 27 -15.864 1.167 7.054
188 2HD ARG 27 1HD ARG 27 -16.301 -0.519 6.786
189 HE ARG 27 HE ARG 27 -16.687 0.983 9.168
190 1HH1 ARG 27 1HH1 ARG 27 -15.956 -2.224 8.000
191 2HH1 ARG 27 2HH1 ARG 27 -16.612 -3.016 9.393
192 1HH2 ARG 27 1HH2 ARG 27 -17.550 -0.057 11.001
193 2HH2 ARG 27 2HH2 ARG 27 -17.518 -1.786 11.096
194 H LYS 28 H LYS 28 -10.159 -0.231 4.722
195 HA LYS 28 HA LYS 28 -8.664 -1.734 6.488
196 1HB LYS 28 2HB LYS 28 -10.549 -3.356 4.951
197 2HB LYS 28 1HB LYS 28 -8.885 -3.895 4.781
198 1HG LYS 28 2HG LYS 28 -9.763 -3.309 7.529
199 2HG LYS 28 1HG LYS 28 -10.529 -4.693 6.748
200 1HD LYS 28 2HD LYS 28 -8.321 -5.626 6.243
201 2HD LYS 28 1HD LYS 28 -7.559 -4.242 7.029
202 1HE LYS 28 2HE LYS 28 -9.235 -6.402 8.282
203 2HE LYS 28 1HE LYS 28 -7.549 -6.006 8.611
204 1HZ LYS 28 1HZ LYS 28 -8.563 -3.726 9.288
205 2HZ LYS 28 2HZ LYS 28 -8.604 -5.023 10.371
206 3HZ LYS 28 3HZ LYS 28 -9.986 -4.620 9.483
207 H CYS 29 H CYS 29 -6.803 -0.855 5.841
208 HA CYS 29 HA CYS 29 -6.173 -0.235 3.155
209 1HB CYS 29 2HB CYS 29 -5.292 0.803 5.340
210 2HB CYS 29 1HB CYS 29 -4.134 -0.509 5.294
211 H LYS 30 H LYS 30 -4.184 -1.027 2.051
212 HA LYS 30 HA LYS 30 -2.836 -3.346 2.602
213 1HB LYS 30 2HB LYS 30 -5.565 -3.863 1.688
214 2HB LYS 30 1HB LYS 30 -4.352 -4.662 0.698
215 1HG LYS 30 2HG LYS 30 -3.744 -6.084 2.343
216 2HG LYS 30 1HG LYS 30 -4.020 -4.898 3.621
217 1HD LYS 30 2HD LYS 30 -5.820 -6.175 4.076
218 2HD LYS 30 1HD LYS 30 -6.549 -5.284 2.738
219 1HE LYS 30 2HE LYS 30 -5.067 -7.883 2.398
220 2HE LYS 30 1HE LYS 30 -6.809 -7.783 2.642
221 1HZ LYS 30 1HZ LYS 30 -5.719 -6.120 0.522
222 2HZ LYS 30 2HZ LYS 30 -7.147 -7.026 0.563
223 3HZ LYS 30 3HZ LYS 30 -5.671 -7.789 0.248
224 H CYS 31 H CYS 31 -1.364 -1.982 1.615
225 HA CYS 31 HA CYS 31 -1.213 -0.753 -0.781
226 1HB CYS 31 2HB CYS 31 0.988 -2.602 0.132
227 2HB CYS 31 1HB CYS 31 1.143 -1.116 -0.799
228 H ASN 32 H ASN 32 -0.201 -1.319 -2.785
229 HA ASN 32 HA ASN 32 -1.296 -3.811 -3.857
230 1HB ASN 32 2HB ASN 32 -1.735 -1.340 -4.616
231 2HB ASN 32 1HB ASN 32 -0.267 -1.601 -5.512
232 1HD2 ASN 32 1HD2 ASN 32 -0.409 -2.558 -7.432
233 2HD2 ASN 32 2HD2 ASN 32 -1.794 -3.396 -8.035
234 H ARG 33 H ARG 33 -0.033 -4.372 -5.979
235 HA ARG 33 HA ARG 33 2.585 -5.201 -5.154
236 1HB ARG 33 2HB ARG 33 0.826 -6.264 -6.898
237 2HB ARG 33 1HB ARG 33 1.821 -5.356 -8.028
238 1HG ARG 33 2HG ARG 33 2.692 -7.554 -7.937
239 2HG ARG 33 1HG ARG 33 3.818 -6.517 -7.060
240 1HD ARG 33 2HD ARG 33 2.531 -7.204 -4.961
241 2HD ARG 33 1HD ARG 33 1.825 -8.475 -5.959
242 HE ARG 33 HE ARG 33 3.818 -9.601 -5.878
243 1HH1 ARG 33 1HH1 ARG 33 4.325 -6.323 -4.796
244 2HH1 ARG 33 2HH1 ARG 33 5.947 -6.617 -4.264
245 1HH2 ARG 33 1HH2 ARG 33 5.950 -9.990 -5.179
246 2HH2 ARG 33 2HH2 ARG 33 6.869 -8.699 -4.482
247 H CYS 34 H CYS 34 3.317 -3.110 -4.677
248 HA CYS 34 HA CYS 34 4.128 -1.505 -6.993
249 1HB CYS 34 2HB CYS 34 2.725 -0.371 -5.344
250 2HB CYS 34 1HB CYS 34 3.910 -0.743 -4.110
Start of MODEL 8
1 1H VAL 1 1HT VAL 1 -7.067 6.565 -9.213
2 2H VAL 1 2HT VAL 1 -6.179 5.210 -9.780
3 3H VAL 1 3HT VAL 1 -5.480 6.778 -9.821
4 HA VAL 1 HA VAL 1 -4.817 5.157 -8.005
5 HB VAL 1 HB VAL 1 -4.725 7.076 -6.354
6 1HG1 VAL 1 1HG1 VAL 1 -3.616 7.046 -9.097
7 2HG1 VAL 1 2HG1 VAL 1 -2.792 7.012 -7.538
8 3HG1 VAL 1 3HG1 VAL 1 -3.419 8.534 -8.170
9 1HG2 VAL 1 1HG2 VAL 1 -5.768 9.047 -6.711
10 2HG2 VAL 1 2HG2 VAL 1 -6.870 8.047 -7.657
11 3HG2 VAL 1 3HG2 VAL 1 -5.586 8.948 -8.463
12 H SER 2 H SER 2 -5.407 4.184 -6.122
13 HA SER 2 HA SER 2 -8.264 4.237 -5.487
14 1HB SER 2 2HB SER 2 -6.052 2.276 -4.902
15 2HB SER 2 1HB SER 2 -7.603 2.193 -4.066
16 HG SER 2 HG SER 2 -8.570 1.589 -5.877
17 H CYS 3 H CYS 3 -9.061 4.888 -3.555
18 HA CYS 3 HA CYS 3 -9.167 5.923 -1.534
19 1HB CYS 3 2HB CYS 3 -6.397 4.962 -0.889
20 2HB CYS 3 1HB CYS 3 -7.779 5.153 0.183
21 H THR 4 H THR 4 -8.053 7.595 -0.121
22 HA THR 4 HA THR 4 -5.817 9.033 -1.045
23 HB THR 4 HB THR 4 -7.480 11.102 -1.609
24 HG1 THR 4 1HG THR 4 -9.257 9.520 -1.530
25 1HG2 THR 4 1HG2 THR 4 -6.198 11.070 -3.402
26 2HG2 THR 4 2HG2 THR 4 -7.209 9.788 -4.071
27 3HG2 THR 4 3HG2 THR 4 -5.781 9.380 -3.119
28 H GLY 5 H GLY 5 -6.892 8.089 1.419
29 1HA GLY 5 2HA GLY 5 -6.881 10.622 2.892
30 2HA GLY 5 1HA GLY 5 -8.214 9.513 3.178
31 H SER 6 H SER 6 -7.965 7.949 4.654
32 HA SER 6 HA SER 6 -7.034 6.662 6.280
33 1HB SER 6 2HB SER 6 -4.365 6.839 4.912
34 2HB SER 6 1HB SER 6 -5.093 5.472 5.757
35 HG SER 6 HG SER 6 -6.608 5.350 4.013
36 H LYS 7 H LYS 7 -4.401 6.669 7.340
37 HA LYS 7 HA LYS 7 -4.012 9.422 8.258
38 1HB LYS 7 2HB LYS 7 -3.757 8.579 10.590
39 2HB LYS 7 1HB LYS 7 -5.392 8.427 9.962
40 1HG LYS 7 2HG LYS 7 -5.351 6.302 10.576
41 2HG LYS 7 1HG LYS 7 -4.149 6.020 9.315
42 1HD LYS 7 2HD LYS 7 -2.610 7.047 11.312
43 2HD LYS 7 1HD LYS 7 -3.834 6.167 12.230
44 1HE LYS 7 2HE LYS 7 -3.241 4.125 11.307
45 2HE LYS 7 1HE LYS 7 -2.478 4.868 9.903
46 1HZ LYS 7 1HZ LYS 7 -1.352 5.313 12.586
47 2HZ LYS 7 2HZ LYS 7 -0.579 5.353 11.081
48 3HZ LYS 7 3HZ LYS 7 -1.019 3.870 11.766
49 H ASP 8 H ASP 8 -2.425 8.450 6.408
50 HA ASP 8 HA ASP 8 -0.160 8.441 5.991
51 1HB ASP 8 2HB ASP 8 -0.083 9.051 8.641
52 2HB ASP 8 1HB ASP 8 0.700 7.474 8.646
53 H CYS 9 H CYS 9 -1.763 6.419 5.314
54 HA CYS 9 HA CYS 9 -0.530 3.922 6.157
55 1HB CYS 9 2HB CYS 9 -3.082 4.444 5.778
56 2HB CYS 9 1HB CYS 9 -2.671 4.001 4.135
57 H TYR 10 H TYR 10 -1.563 5.269 3.061
58 HA TYR 10 HA TYR 10 -0.045 3.651 1.410
59 1HB TYR 10 2HB TYR 10 -1.346 6.299 1.157
60 2HB TYR 10 1HB TYR 10 -0.104 5.938 -0.035
61 HD1 TYR 10 1HD TYR 10 -2.087 6.235 -1.616
62 HD2 TYR 10 2HD TYR 10 -1.790 3.001 1.135
63 HE1 TYR 10 1HE TYR 10 -3.727 4.966 -2.936
64 HE2 TYR 10 2HE TYR 10 -3.422 1.725 -0.181
65 HH TYR 10 HH TYR 10 -4.261 2.438 -3.270
66 H ALA 11 H ALA 11 0.990 6.282 3.402
67 HA ALA 11 HA ALA 11 3.343 6.933 1.949
68 1HB ALA 11 1HB ALA 11 2.785 8.654 3.327
69 2HB ALA 11 2HB ALA 11 3.987 7.855 4.340
70 3HB ALA 11 3HB ALA 11 2.269 7.589 4.635
71 HA PRO 12 HA PRO 12 5.765 4.466 5.462
72 1HB PRO 12 2HB PRO 12 4.061 2.398 6.364
73 2HB PRO 12 1HB PRO 12 4.635 3.783 7.294
74 1HG PRO 12 2HG PRO 12 2.051 3.389 5.882
75 2HG PRO 12 1HG PRO 12 2.398 4.293 7.362
76 1HD PRO 12 2HD PRO 12 1.923 5.556 5.056
77 2HD PRO 12 1HD PRO 12 3.144 6.162 6.196
78 H CYS 13 H CYS 13 3.346 3.149 3.306
79 HA CYS 13 HA CYS 13 5.034 0.856 2.696
80 1HB CYS 13 2HB CYS 13 2.321 1.158 2.833
81 2HB CYS 13 1HB CYS 13 2.635 1.112 1.110
82 H ARG 14 H ARG 14 3.474 3.541 0.964
83 HA ARG 14 HA ARG 14 4.347 3.040 -1.566
84 1HB ARG 14 2HB ARG 14 2.890 4.912 -1.124
85 2HB ARG 14 1HB ARG 14 4.140 5.724 -0.192
86 1HG ARG 14 2HG ARG 14 5.498 5.735 -2.353
87 2HG ARG 14 1HG ARG 14 3.987 5.306 -3.158
88 1HD ARG 14 2HD ARG 14 4.473 7.750 -3.132
89 2HD ARG 14 1HD ARG 14 2.933 7.311 -2.396
90 HE ARG 14 HE ARG 14 3.699 8.135 -0.410
91 1HH1 ARG 14 1HH1 ARG 14 6.432 7.573 -2.505
92 2HH1 ARG 14 2HH1 ARG 14 7.571 8.307 -1.425
93 1HH2 ARG 14 1HH2 ARG 14 5.193 9.100 1.012
94 2HH2 ARG 14 2HH2 ARG 14 6.867 9.174 0.571
95 H LYS 15 H LYS 15 6.222 4.158 1.132
96 HA LYS 15 HA LYS 15 8.499 5.033 -0.288
97 1HB LYS 15 2HB LYS 15 7.801 4.445 2.467
98 2HB LYS 15 1HB LYS 15 9.424 3.879 2.096
99 1HG LYS 15 2HG LYS 15 10.246 5.972 1.836
100 2HG LYS 15 1HG LYS 15 8.726 6.611 1.204
101 1HD LYS 15 2HD LYS 15 8.765 7.625 3.256
102 2HD LYS 15 1HD LYS 15 7.901 6.142 3.663
103 1HE LYS 15 2HE LYS 15 10.838 5.992 3.827
104 2HE LYS 15 1HE LYS 15 10.064 7.056 5.002
105 1HZ LYS 15 1HZ LYS 15 8.509 4.910 5.188
106 2HZ LYS 15 2HZ LYS 15 9.882 5.144 6.149
107 3HZ LYS 15 3HZ LYS 15 9.970 4.162 4.775
108 H GLN 16 H GLN 16 7.680 1.911 1.189
109 HA GLN 16 HA GLN 16 9.953 0.549 0.145
110 1HB GLN 16 2HB GLN 16 7.398 -0.333 1.454
111 2HB GLN 16 1HB GLN 16 8.521 -1.507 0.784
112 1HG GLN 16 2HG GLN 16 10.083 -1.148 2.392
113 2HG GLN 16 1HG GLN 16 9.621 0.539 2.619
114 1HE2 GLN 16 1HE2 GLN 16 8.667 0.971 4.464
115 2HE2 GLN 16 2HE2 GLN 16 7.750 -0.132 5.427
116 H THR 17 H THR 17 6.478 0.327 -0.683
117 HA THR 17 HA THR 17 6.931 -1.295 -2.965
118 HB THR 17 HB THR 17 4.819 -1.281 -1.679
119 HG1 THR 17 1HG THR 17 3.989 -2.004 -3.442
120 1HG2 THR 17 1HG2 THR 17 4.310 0.916 -1.147
121 2HG2 THR 17 2HG2 THR 17 3.151 0.515 -2.414
122 3HG2 THR 17 3HG2 THR 17 4.577 1.480 -2.797
123 H GLY 18 H GLY 18 7.480 1.990 -2.523
124 1HA GLY 18 2HA GLY 18 8.099 3.604 -4.048
125 2HA GLY 18 1HA GLY 18 8.027 2.369 -5.278
126 H CYS 19 H CYS 19 6.497 2.460 -6.689
127 HA CYS 19 HA CYS 19 5.005 4.338 -7.551
128 1HB CYS 19 2HB CYS 19 3.184 2.758 -8.160
129 2HB CYS 19 1HB CYS 19 4.817 2.351 -8.646
130 HA PRO 20 HA PRO 20 2.261 5.946 -4.449
131 1HB PRO 20 2HB PRO 20 0.637 7.001 -6.665
132 2HB PRO 20 1HB PRO 20 1.503 7.866 -5.393
133 1HG PRO 20 2HG PRO 20 2.353 7.882 -7.939
134 2HG PRO 20 1HG PRO 20 3.485 7.891 -6.574
135 1HD PRO 20 2HD PRO 20 2.652 5.614 -8.333
136 2HD PRO 20 1HD PRO 20 4.264 6.028 -7.710
137 H TYR 21 H TYR 21 1.312 3.602 -6.739
138 HA TYR 21 HA TYR 21 -1.456 3.560 -6.261
139 1HB TYR 21 2HB TYR 21 -0.074 1.044 -6.984
140 2HB TYR 21 1HB TYR 21 -1.475 1.811 -7.682
141 HD1 TYR 21 1HD TYR 21 -0.444 4.447 -8.460
142 HD2 TYR 21 2HD TYR 21 1.320 0.588 -8.794
143 HE1 TYR 21 1HE TYR 21 0.901 5.233 -10.364
144 HE2 TYR 21 2HE TYR 21 2.671 1.365 -10.696
145 HH TYR 21 HH TYR 21 3.103 4.575 -11.459
146 H GLY 22 H GLY 22 -2.582 1.684 -5.263
147 1HA GLY 22 2HA GLY 22 -1.205 0.258 -3.165
148 2HA GLY 22 1HA GLY 22 -2.285 1.502 -2.578
149 H LYS 23 H LYS 23 -2.550 -1.311 -2.064
150 HA LYS 23 HA LYS 23 -4.827 -2.092 -3.709
151 1HB LYS 23 2HB LYS 23 -2.759 -3.571 -2.701
152 2HB LYS 23 1HB LYS 23 -4.021 -3.881 -1.518
153 1HG LYS 23 2HG LYS 23 -5.429 -4.862 -3.099
154 2HG LYS 23 1HG LYS 23 -4.536 -4.170 -4.455
155 1HD LYS 23 2HD LYS 23 -3.814 -6.362 -4.488
156 2HD LYS 23 1HD LYS 23 -2.560 -5.587 -3.517
157 1HE LYS 23 2HE LYS 23 -4.076 -6.236 -1.512
158 2HE LYS 23 1HE LYS 23 -4.798 -7.374 -2.647
159 1HZ LYS 23 1HZ LYS 23 -1.941 -7.248 -1.847
160 2HZ LYS 23 2HZ LYS 23 -2.556 -8.277 -3.040
161 3HZ LYS 23 3HZ LYS 23 -3.055 -8.454 -1.434
162 H CYS 24 H CYS 24 -4.481 -0.104 -1.262
163 HA CYS 24 HA CYS 24 -5.978 -0.840 0.891
164 1HB CYS 24 2HB CYS 24 -5.178 1.251 1.236
165 2HB CYS 24 1HB CYS 24 -5.335 1.697 -0.452
166 H MET 25 H MET 25 -7.935 -1.598 1.157
167 HA MET 25 HA MET 25 -9.967 -1.118 -0.908
168 1HB MET 25 2HB MET 25 -9.227 -3.479 0.048
169 2HB MET 25 1HB MET 25 -10.367 -3.065 1.321
170 1HG MET 25 2HG MET 25 -11.894 -2.520 -0.793
171 2HG MET 25 1HG MET 25 -10.847 -3.742 -1.512
172 1HE MET 25 1HE MET 25 -13.946 -4.229 -1.398
173 2HE MET 25 2HE MET 25 -14.093 -3.188 0.020
174 3HE MET 25 3HE MET 25 -14.598 -4.876 0.108
175 H ASN 26 H ASN 26 -11.981 -0.324 -0.393
176 HA ASN 26 HA ASN 26 -12.204 1.709 1.415
177 1HB ASN 26 2HB ASN 26 -14.681 0.120 1.010
178 2HB ASN 26 1HB ASN 26 -14.434 1.855 0.900
179 1HD2 ASN 26 1HD2 ASN 26 -12.831 2.422 -0.958
180 2HD2 ASN 26 2HD2 ASN 26 -13.200 1.683 -2.475
181 H ARG 27 H ARG 27 -12.197 1.853 3.522
182 HA ARG 27 HA ARG 27 -12.598 1.442 5.729
183 1HB ARG 27 2HB ARG 27 -14.673 0.099 4.530
184 2HB ARG 27 1HB ARG 27 -13.883 -1.179 5.444
185 1HG ARG 27 2HG ARG 27 -14.098 1.126 7.103
186 2HG ARG 27 1HG ARG 27 -15.670 0.799 6.372
187 1HD ARG 27 2HD ARG 27 -15.142 -1.669 7.070
188 2HD ARG 27 1HD ARG 27 -14.031 -0.898 8.201
189 HE ARG 27 HE ARG 27 -16.466 0.389 8.480
190 1HH1 ARG 27 1HH1 ARG 27 -15.203 -2.836 8.915
191 2HH1 ARG 27 2HH1 ARG 27 -16.324 -3.240 10.171
192 1HH2 ARG 27 1HH2 ARG 27 -17.942 -0.142 10.131
193 2HH2 ARG 27 2HH2 ARG 27 -17.880 -1.711 10.861
194 H LYS 28 H LYS 28 -10.317 0.476 4.197
195 HA LYS 28 HA LYS 28 -8.847 -0.786 6.137
196 1HB LYS 28 2HB LYS 28 -10.579 -2.660 4.712
197 2HB LYS 28 1HB LYS 28 -8.883 -3.118 4.647
198 1HG LYS 28 2HG LYS 28 -9.949 -2.322 7.287
199 2HG LYS 28 1HG LYS 28 -10.510 -3.856 6.620
200 1HD LYS 28 2HD LYS 28 -7.871 -4.078 6.143
201 2HD LYS 28 1HD LYS 28 -7.835 -3.071 7.592
202 1HE LYS 28 2HE LYS 28 -9.128 -4.696 8.811
203 2HE LYS 28 1HE LYS 28 -9.348 -5.667 7.355
204 1HZ LYS 28 1HZ LYS 28 -6.731 -5.111 8.646
205 2HZ LYS 28 2HZ LYS 28 -6.995 -6.112 7.308
206 3HZ LYS 28 3HZ LYS 28 -7.613 -6.545 8.822
207 H CYS 29 H CYS 29 -7.112 0.330 5.398
208 HA CYS 29 HA CYS 29 -6.396 0.508 2.674
209 1HB CYS 29 2HB CYS 29 -5.512 2.287 3.728
210 2HB CYS 29 1HB CYS 29 -5.338 1.435 5.244
211 H LYS 30 H LYS 30 -4.252 -0.168 1.847
212 HA LYS 30 HA LYS 30 -2.645 -2.130 2.881
213 1HB LYS 30 2HB LYS 30 -3.574 -4.102 1.414
214 2HB LYS 30 1HB LYS 30 -4.198 -3.818 3.031
215 1HG LYS 30 2HG LYS 30 -6.192 -2.899 2.225
216 2HG LYS 30 1HG LYS 30 -5.524 -2.654 0.612
217 1HD LYS 30 2HD LYS 30 -6.640 -4.550 0.132
218 2HD LYS 30 1HD LYS 30 -5.238 -5.330 0.868
219 1HE LYS 30 2HE LYS 30 -6.692 -4.865 3.070
220 2HE LYS 30 1HE LYS 30 -7.995 -5.008 1.891
221 1HZ LYS 30 1HZ LYS 30 -5.901 -7.048 1.858
222 2HZ LYS 30 2HZ LYS 30 -7.553 -7.191 1.529
223 3HZ LYS 30 3HZ LYS 30 -7.016 -7.094 3.129
224 H CYS 31 H CYS 31 -1.221 -0.863 1.770
225 HA CYS 31 HA CYS 31 -0.981 0.070 -0.726
226 1HB CYS 31 2HB CYS 31 1.492 -0.820 -0.583
227 2HB CYS 31 1HB CYS 31 0.915 0.431 0.513
228 H ASN 32 H ASN 32 0.234 -0.638 -2.570
229 HA ASN 32 HA ASN 32 -0.857 -3.122 -3.587
230 1HB ASN 32 2HB ASN 32 -0.749 -0.735 -4.663
231 2HB ASN 32 1HB ASN 32 0.827 -1.284 -5.171
232 1HD2 ASN 32 1HD2 ASN 32 0.905 -2.240 -7.074
233 2HD2 ASN 32 2HD2 ASN 32 -0.405 -3.049 -7.859
234 H ARG 33 H ARG 33 0.673 -4.118 -5.328
235 HA ARG 33 HA ARG 33 3.241 -4.709 -4.008
236 1HB ARG 33 2HB ARG 33 1.297 -6.509 -4.451
237 2HB ARG 33 1HB ARG 33 2.117 -6.606 -6.003
238 1HG ARG 33 2HG ARG 33 3.095 -8.277 -4.696
239 2HG ARG 33 1HG ARG 33 4.257 -6.949 -4.671
240 1HD ARG 33 2HD ARG 33 3.943 -6.539 -2.467
241 2HD ARG 33 1HD ARG 33 2.228 -6.942 -2.527
242 HE ARG 33 HE ARG 33 4.390 -8.694 -1.854
243 1HH1 ARG 33 1HH1 ARG 33 1.173 -8.560 -3.200
244 2HH1 ARG 33 2HH1 ARG 33 0.794 -10.196 -2.780
245 1HH2 ARG 33 1HH2 ARG 33 3.893 -10.847 -1.301
246 2HH2 ARG 33 2HH2 ARG 33 2.338 -11.495 -1.702
247 H CYS 34 H CYS 34 4.439 -3.151 -5.034
248 HA CYS 34 HA CYS 34 4.386 -2.774 -7.856
249 1HB CYS 34 2HB CYS 34 5.233 -1.336 -5.705
250 2HB CYS 34 1HB CYS 34 6.736 -1.799 -6.476
Start of MODEL 9
1 1H VAL 1 1HT VAL 1 -12.050 2.120 -4.946
2 2H VAL 1 2HT VAL 1 -12.348 3.467 -3.930
3 3H VAL 1 3HT VAL 1 -11.166 2.300 -3.492
4 HA VAL 1 HA VAL 1 -9.810 2.941 -5.205
5 HB VAL 1 HB VAL 1 -11.866 4.891 -5.883
6 1HG1 VAL 1 1HG1 VAL 1 -10.040 5.913 -6.785
7 2HG1 VAL 1 2HG1 VAL 1 -10.385 4.836 -8.138
8 3HG1 VAL 1 3HG1 VAL 1 -9.153 4.397 -6.954
9 1HG2 VAL 1 1HG2 VAL 1 -11.449 2.171 -6.968
10 2HG2 VAL 1 2HG2 VAL 1 -11.916 3.424 -8.118
11 3HG2 VAL 1 3HG2 VAL 1 -12.943 3.075 -6.728
12 H SER 2 H SER 2 -10.924 3.771 -2.892
13 HA SER 2 HA SER 2 -9.258 6.098 -2.254
14 1HB SER 2 2HB SER 2 -11.207 6.608 -0.519
15 2HB SER 2 1HB SER 2 -11.269 7.214 -2.173
16 HG SER 2 HG SER 2 -13.183 6.034 -1.252
17 H CYS 3 H CYS 3 -7.850 5.651 -0.703
18 HA CYS 3 HA CYS 3 -7.798 3.233 0.716
19 1HB CYS 3 2HB CYS 3 -6.405 5.833 1.367
20 2HB CYS 3 1HB CYS 3 -6.007 4.265 2.056
21 H THR 4 H THR 4 -7.408 3.411 3.213
22 HA THR 4 HA THR 4 -9.989 4.085 4.326
23 HB THR 4 HB THR 4 -9.122 1.991 5.018
24 HG1 THR 4 1HG THR 4 -8.864 2.309 7.282
25 1HG2 THR 4 1HG2 THR 4 -6.957 1.860 6.312
26 2HG2 THR 4 2HG2 THR 4 -6.581 3.451 5.651
27 3HG2 THR 4 3HG2 THR 4 -6.822 2.081 4.567
28 H GLY 5 H GLY 5 -8.908 6.432 3.599
29 1HA GLY 5 2HA GLY 5 -8.331 8.520 4.354
30 2HA GLY 5 1HA GLY 5 -8.994 7.992 5.893
31 H SER 6 H SER 6 -7.518 8.934 7.227
32 HA SER 6 HA SER 6 -5.589 9.196 8.399
33 1HB SER 6 2HB SER 6 -4.131 6.887 7.394
34 2HB SER 6 1HB SER 6 -4.703 7.229 9.026
35 HG SER 6 HG SER 6 -6.817 6.539 8.234
36 H LYS 7 H LYS 7 -3.149 9.395 8.165
37 HA LYS 7 HA LYS 7 -2.494 10.249 5.421
38 1HB LYS 7 2HB LYS 7 -0.948 11.918 6.610
39 2HB LYS 7 1HB LYS 7 -2.675 12.252 6.621
40 1HG LYS 7 2HG LYS 7 -2.812 12.090 8.846
41 2HG LYS 7 1HG LYS 7 -1.763 10.673 8.904
42 1HD LYS 7 2HD LYS 7 -0.653 13.406 8.359
43 2HD LYS 7 1HD LYS 7 -0.943 12.851 10.008
44 1HE LYS 7 2HE LYS 7 0.382 10.726 8.992
45 2HE LYS 7 1HE LYS 7 1.111 12.034 8.061
46 1HZ LYS 7 1HZ LYS 7 2.447 12.126 9.859
47 2HZ LYS 7 2HZ LYS 7 1.305 11.446 10.904
48 3HZ LYS 7 3HZ LYS 7 1.201 13.083 10.491
49 H ASP 8 H ASP 8 -1.390 8.680 8.346
50 HA ASP 8 HA ASP 8 1.228 8.160 7.152
51 1HB ASP 8 2HB ASP 8 0.624 8.838 9.685
52 2HB ASP 8 1HB ASP 8 0.563 7.084 9.835
53 H CYS 9 H CYS 9 -1.264 6.894 6.190
54 HA CYS 9 HA CYS 9 -0.956 4.122 6.985
55 1HB CYS 9 2HB CYS 9 -3.173 5.416 6.489
56 2HB CYS 9 1HB CYS 9 -2.807 4.956 4.841
57 H TYR 10 H TYR 10 -1.356 5.654 3.840
58 HA TYR 10 HA TYR 10 0.000 3.577 2.459
59 1HB TYR 10 2HB TYR 10 -1.428 6.012 1.818
60 2HB TYR 10 1HB TYR 10 0.022 5.867 0.837
61 HD1 TYR 10 1HD TYR 10 -1.519 5.752 -1.119
62 HD2 TYR 10 2HD TYR 10 -1.505 2.755 1.902
63 HE1 TYR 10 1HE TYR 10 -2.697 4.220 -2.638
64 HE2 TYR 10 2HE TYR 10 -2.675 1.218 0.391
65 HH TYR 10 HH TYR 10 -3.098 1.891 -2.958
66 H ALA 11 H ALA 11 1.129 6.152 4.314
67 HA ALA 11 HA ALA 11 3.465 6.790 2.824
68 1HB ALA 11 1HB ALA 11 2.947 8.483 4.275
69 2HB ALA 11 2HB ALA 11 4.198 7.650 5.198
70 3HB ALA 11 3HB ALA 11 2.496 7.380 5.575
71 HA PRO 12 HA PRO 12 5.822 4.103 6.252
72 1HB PRO 12 2HB PRO 12 4.035 1.985 6.885
73 2HB PRO 12 1HB PRO 12 4.638 3.237 7.973
74 1HG PRO 12 2HG PRO 12 2.069 3.092 6.497
75 2HG PRO 12 1HG PRO 12 2.430 3.846 8.055
76 1HD PRO 12 2HD PRO 12 2.033 5.328 5.869
77 2HD PRO 12 1HD PRO 12 3.265 5.781 7.066
78 H CYS 13 H CYS 13 3.438 2.996 3.944
79 HA CYS 13 HA CYS 13 5.111 0.758 3.136
80 1HB CYS 13 2HB CYS 13 2.445 0.978 3.292
81 2HB CYS 13 1HB CYS 13 2.692 1.362 1.604
82 H ARG 14 H ARG 14 3.494 3.480 1.508
83 HA ARG 14 HA ARG 14 4.705 3.181 -0.933
84 1HB ARG 14 2HB ARG 14 3.813 5.688 0.447
85 2HB ARG 14 1HB ARG 14 4.412 5.660 -1.202
86 1HG ARG 14 2HG ARG 14 2.615 4.287 -1.928
87 2HG ARG 14 1HG ARG 14 2.078 4.018 -0.270
88 1HD ARG 14 2HD ARG 14 0.603 5.633 -1.059
89 2HD ARG 14 1HD ARG 14 1.798 6.573 -0.170
90 HE ARG 14 HE ARG 14 1.373 6.540 -3.041
91 1HH1 ARG 14 1HH1 ARG 14 3.434 7.518 -0.393
92 2HH1 ARG 14 2HH1 ARG 14 4.246 8.737 -1.315
93 1HH2 ARG 14 1HH2 ARG 14 2.443 8.143 -4.248
94 2HH2 ARG 14 2HH2 ARG 14 3.684 9.092 -3.501
95 H LYS 15 H LYS 15 6.024 4.500 1.995
96 HA LYS 15 HA LYS 15 8.286 5.757 0.869
97 1HB LYS 15 2HB LYS 15 7.298 5.291 3.459
98 2HB LYS 15 1HB LYS 15 8.862 4.491 3.416
99 1HG LYS 15 2HG LYS 15 9.610 6.782 2.339
100 2HG LYS 15 1HG LYS 15 8.196 7.374 3.216
101 1HD LYS 15 2HD LYS 15 9.087 6.447 5.291
102 2HD LYS 15 1HD LYS 15 10.488 5.820 4.419
103 1HE LYS 15 2HE LYS 15 9.849 8.728 4.247
104 2HE LYS 15 1HE LYS 15 10.610 8.105 5.710
105 1HZ LYS 15 1HZ LYS 15 12.530 7.621 4.619
106 2HZ LYS 15 2HZ LYS 15 12.026 8.935 3.682
107 3HZ LYS 15 3HZ LYS 15 11.771 7.356 3.130
108 H GLN 16 H GLN 16 7.646 2.490 2.066
109 HA GLN 16 HA GLN 16 10.217 1.462 1.381
110 1HB GLN 16 2HB GLN 16 8.354 0.586 3.045
111 2HB GLN 16 1HB GLN 16 7.831 -0.313 1.627
112 1HG GLN 16 2HG GLN 16 9.240 -1.825 2.586
113 2HG GLN 16 1HG GLN 16 10.356 -0.991 1.505
114 1HE2 GLN 16 1HE2 GLN 16 9.401 -1.521 4.791
115 2HE2 GLN 16 2HE2 GLN 16 10.773 -0.773 5.530
116 H THR 17 H THR 17 7.011 0.631 0.051
117 HA THR 17 HA THR 17 8.118 -0.548 -2.280
118 HB THR 17 HB THR 17 5.985 -1.262 -1.261
119 HG1 THR 17 1HG THR 17 6.546 -1.528 -3.571
120 1HG2 THR 17 1HG2 THR 17 4.697 1.101 -2.574
121 2HG2 THR 17 2HG2 THR 17 5.129 1.090 -0.864
122 3HG2 THR 17 3HG2 THR 17 3.977 -0.090 -1.491
123 H GLY 18 H GLY 18 6.267 2.428 -1.816
124 1HA GLY 18 2HA GLY 18 6.262 4.387 -3.014
125 2HA GLY 18 1HA GLY 18 7.673 3.808 -3.859
126 H CYS 19 H CYS 19 4.447 4.444 -4.032
127 HA CYS 19 HA CYS 19 3.944 4.368 -6.573
128 1HB CYS 19 2HB CYS 19 4.203 1.767 -5.803
129 2HB CYS 19 1HB CYS 19 2.757 2.113 -6.666
130 HA PRO 20 HA PRO 20 0.260 5.973 -4.628
131 1HB PRO 20 2HB PRO 20 -0.654 5.907 -7.469
132 2HB PRO 20 1HB PRO 20 -0.777 7.206 -6.276
133 1HG PRO 20 2HG PRO 20 1.056 7.315 -8.195
134 2HG PRO 20 1HG PRO 20 1.440 7.843 -6.546
135 1HD PRO 20 2HD PRO 20 2.226 5.344 -7.970
136 2HD PRO 20 1HD PRO 20 3.131 6.297 -6.776
137 H TYR 21 H TYR 21 0.381 3.222 -6.789
138 HA TYR 21 HA TYR 21 -2.294 2.384 -6.494
139 1HB TYR 21 2HB TYR 21 -0.238 0.341 -7.007
140 2HB TYR 21 1HB TYR 21 -1.690 0.737 -7.894
141 HD1 TYR 21 1HD TYR 21 1.651 0.469 -8.311
142 HD2 TYR 21 2HD TYR 21 -1.448 3.318 -8.924
143 HE1 TYR 21 1HE TYR 21 3.005 1.558 -10.050
144 HE2 TYR 21 2HE TYR 21 -0.103 4.415 -10.666
145 HH TYR 21 HH TYR 21 2.380 4.598 -11.232
146 H GLY 22 H GLY 22 -2.749 0.147 -5.613
147 1HA GLY 22 2HA GLY 22 -1.442 -1.201 -3.659
148 2HA GLY 22 1HA GLY 22 -2.111 0.166 -2.791
149 H LYS 23 H LYS 23 -2.988 -2.068 -1.796
150 HA LYS 23 HA LYS 23 -5.495 -2.712 -3.170
151 1HB LYS 23 2HB LYS 23 -3.830 -4.541 -2.412
152 2HB LYS 23 1HB LYS 23 -4.409 -4.195 -0.791
153 1HG LYS 23 2HG LYS 23 -6.574 -4.937 -1.279
154 2HG LYS 23 1HG LYS 23 -6.289 -4.883 -3.020
155 1HD LYS 23 2HD LYS 23 -4.361 -6.619 -2.246
156 2HD LYS 23 1HD LYS 23 -5.612 -6.965 -1.051
157 1HE LYS 23 2HE LYS 23 -7.008 -7.864 -2.580
158 2HE LYS 23 1HE LYS 23 -6.540 -6.718 -3.835
159 1HZ LYS 23 1HZ LYS 23 -4.578 -8.729 -3.017
160 2HZ LYS 23 2HZ LYS 23 -4.844 -8.036 -4.537
161 3HZ LYS 23 3HZ LYS 23 -5.883 -9.243 -3.966
162 H CYS 24 H CYS 24 -5.139 -0.259 -1.915
163 HA CYS 24 HA CYS 24 -6.443 -0.376 0.663
164 1HB CYS 24 2HB CYS 24 -5.684 1.766 0.979
165 2HB CYS 24 1HB CYS 24 -4.517 1.203 -0.200
166 H MET 25 H MET 25 -8.490 0.030 1.062
167 HA MET 25 HA MET 25 -10.220 1.615 -0.526
168 1HB MET 25 2HB MET 25 -10.143 -0.338 -2.020
169 2HB MET 25 1HB MET 25 -10.606 -1.386 -0.685
170 1HG MET 25 2HG MET 25 -12.778 -0.584 -0.639
171 2HG MET 25 1HG MET 25 -12.355 0.893 -1.503
172 1HE MET 25 1HE MET 25 -11.750 -3.121 -2.706
173 2HE MET 25 2HE MET 25 -13.473 -3.177 -3.080
174 3HE MET 25 3HE MET 25 -12.937 -2.742 -1.457
175 H ASN 26 H ASN 26 -12.085 2.087 0.600
176 HA ASN 26 HA ASN 26 -12.383 2.391 3.111
177 1HB ASN 26 2HB ASN 26 -14.692 0.736 2.426
178 2HB ASN 26 1HB ASN 26 -14.614 2.414 2.936
179 1HD2 ASN 26 1HD2 ASN 26 -13.808 3.949 1.239
180 2HD2 ASN 26 2HD2 ASN 26 -14.368 3.699 -0.376
181 H ARG 27 H ARG 27 -11.659 1.424 4.812
182 HA ARG 27 HA ARG 27 -11.336 -0.122 6.460
183 1HB ARG 27 2HB ARG 27 -13.658 -1.073 5.157
184 2HB ARG 27 1HB ARG 27 -12.614 -2.455 5.482
185 1HG ARG 27 2HG ARG 27 -13.416 -2.425 7.538
186 2HG ARG 27 1HG ARG 27 -12.460 -0.981 7.800
187 1HD ARG 27 2HD ARG 27 -15.375 -1.268 7.345
188 2HD ARG 27 1HD ARG 27 -14.494 -0.204 8.437
189 HE ARG 27 HE ARG 27 -15.279 0.357 5.732
190 1HH1 ARG 27 1HH1 ARG 27 -13.026 1.144 8.279
191 2HH1 ARG 27 2HH1 ARG 27 -12.684 2.724 7.659
192 1HH2 ARG 27 1HH2 ARG 27 -14.831 2.436 4.916
193 2HH2 ARG 27 2HH2 ARG 27 -13.709 3.458 5.750
194 H LYS 28 H LYS 28 -9.720 0.174 4.042
195 HA LYS 28 HA LYS 28 -8.008 -2.105 4.442
196 1HB LYS 28 2HB LYS 28 -9.880 -2.232 2.334
197 2HB LYS 28 1HB LYS 28 -8.319 -1.920 1.587
198 1HG LYS 28 2HG LYS 28 -9.015 -4.195 3.430
199 2HG LYS 28 1HG LYS 28 -8.712 -4.288 1.695
200 1HD LYS 28 2HD LYS 28 -6.407 -3.589 2.040
201 2HD LYS 28 1HD LYS 28 -6.701 -3.419 3.772
202 1HE LYS 28 2HE LYS 28 -6.614 -5.925 2.120
203 2HE LYS 28 1HE LYS 28 -5.646 -5.504 3.532
204 1HZ LYS 28 1HZ LYS 28 -8.518 -6.237 3.461
205 2HZ LYS 28 2HZ LYS 28 -7.775 -5.562 4.823
206 3HZ LYS 28 3HZ LYS 28 -7.256 -7.061 4.234
207 H CYS 29 H CYS 29 -5.917 -1.612 4.072
208 HA CYS 29 HA CYS 29 -5.188 0.712 2.537
209 1HB CYS 29 2HB CYS 29 -5.475 0.715 5.176
210 2HB CYS 29 1HB CYS 29 -3.796 0.296 5.004
211 H LYS 30 H LYS 30 -5.021 -1.874 2.206
212 HA LYS 30 HA LYS 30 -2.401 -2.915 2.643
213 1HB LYS 30 2HB LYS 30 -4.231 -4.474 2.613
214 2HB LYS 30 1HB LYS 30 -4.702 -3.969 1.000
215 1HG LYS 30 2HG LYS 30 -3.485 -5.643 0.207
216 2HG LYS 30 1HG LYS 30 -2.045 -4.783 0.753
217 1HD LYS 30 2HD LYS 30 -1.639 -6.506 2.104
218 2HD LYS 30 1HD LYS 30 -3.048 -6.012 3.044
219 1HE LYS 30 2HE LYS 30 -3.650 -7.587 0.637
220 2HE LYS 30 1HE LYS 30 -2.740 -8.447 1.877
221 1HZ LYS 30 1HZ LYS 30 -4.646 -7.234 3.328
222 2HZ LYS 30 2HZ LYS 30 -4.754 -8.819 2.745
223 3HZ LYS 30 3HZ LYS 30 -5.485 -7.554 1.894
224 H CYS 31 H CYS 31 -1.288 -1.180 1.719
225 HA CYS 31 HA CYS 31 -1.052 -0.083 -0.710
226 1HB CYS 31 2HB CYS 31 1.524 -0.628 -0.450
227 2HB CYS 31 1HB CYS 31 0.705 0.514 0.609
228 H ASN 32 H ASN 32 0.656 -0.517 -2.313
229 HA ASN 32 HA ASN 32 -0.035 -2.959 -3.738
230 1HB ASN 32 2HB ASN 32 0.037 -0.446 -4.530
231 2HB ASN 32 1HB ASN 32 1.698 -0.854 -4.850
232 1HD2 ASN 32 1HD2 ASN 32 -1.359 -2.606 -5.197
233 2HD2 ASN 32 2HD2 ASN 32 -1.145 -3.004 -6.865
234 H ARG 33 H ARG 33 1.860 -3.596 -5.284
235 HA ARG 33 HA ARG 33 4.271 -3.996 -3.643
236 1HB ARG 33 2HB ARG 33 3.032 -6.104 -3.993
237 2HB ARG 33 1HB ARG 33 3.108 -5.859 -5.733
238 1HG ARG 33 2HG ARG 33 4.772 -7.452 -5.127
239 2HG ARG 33 1HG ARG 33 5.587 -5.954 -5.576
240 1HD ARG 33 2HD ARG 33 5.578 -5.406 -3.084
241 2HD ARG 33 1HD ARG 33 5.148 -7.097 -2.832
242 HE ARG 33 HE ARG 33 7.319 -7.648 -3.235
243 1HH1 ARG 33 1HH1 ARG 33 6.720 -4.498 -4.613
244 2HH1 ARG 33 2HH1 ARG 33 8.372 -4.243 -5.064
245 1HH2 ARG 33 1HH2 ARG 33 9.494 -7.314 -3.828
246 2HH2 ARG 33 2HH2 ARG 33 9.947 -5.842 -4.619
247 H CYS 34 H CYS 34 4.898 -1.991 -4.510
248 HA CYS 34 HA CYS 34 5.784 -2.061 -7.306
249 1HB CYS 34 2HB CYS 34 4.279 -0.195 -6.453
250 2HB CYS 34 1HB CYS 34 5.686 0.358 -5.565
Start of MODEL 10
1 1H VAL 1 1HT VAL 1 -8.441 -1.168 -5.035
2 2H VAL 1 2HT VAL 1 -8.525 -0.718 -6.689
3 3H VAL 1 3HT VAL 1 -9.901 -1.384 -5.907
4 HA VAL 1 HA VAL 1 -9.912 1.050 -6.268
5 HB VAL 1 HB VAL 1 -10.660 1.501 -3.874
6 1HG1 VAL 1 1HG1 VAL 1 -12.697 0.607 -4.340
7 2HG1 VAL 1 2HG1 VAL 1 -12.029 -0.960 -4.796
8 3HG1 VAL 1 3HG1 VAL 1 -11.947 0.394 -5.923
9 1HG2 VAL 1 1HG2 VAL 1 -10.975 -0.603 -2.521
10 2HG2 VAL 1 2HG2 VAL 1 -9.317 -0.016 -2.640
11 3HG2 VAL 1 3HG2 VAL 1 -9.840 -1.384 -3.623
12 H SER 2 H SER 2 -9.016 3.013 -5.844
13 HA SER 2 HA SER 2 -6.410 2.975 -4.485
14 1HB SER 2 2HB SER 2 -5.749 4.793 -5.843
15 2HB SER 2 1HB SER 2 -6.636 3.725 -6.929
16 HG SER 2 HG SER 2 -7.213 5.994 -7.063
17 H CYS 3 H CYS 3 -5.931 4.375 -2.850
18 HA CYS 3 HA CYS 3 -8.221 5.707 -1.609
19 1HB CYS 3 2HB CYS 3 -5.482 5.351 -0.399
20 2HB CYS 3 1HB CYS 3 -7.000 5.668 0.431
21 H THR 4 H THR 4 -7.579 7.772 -0.351
22 HA THR 4 HA THR 4 -5.523 9.427 -1.381
23 HB THR 4 HB THR 4 -7.408 11.093 -2.301
24 HG1 THR 4 1HG THR 4 -8.378 8.536 -3.037
25 1HG2 THR 4 1HG2 THR 4 -5.464 9.459 -3.492
26 2HG2 THR 4 2HG2 THR 4 -6.250 10.888 -4.167
27 3HG2 THR 4 3HG2 THR 4 -6.932 9.287 -4.454
28 H GLY 5 H GLY 5 -6.607 8.629 1.158
29 1HA GLY 5 2HA GLY 5 -6.356 10.855 2.687
30 2HA GLY 5 1HA GLY 5 -8.057 10.874 2.245
31 H SER 6 H SER 6 -5.970 8.100 2.965
32 HA SER 6 HA SER 6 -7.948 7.021 4.749
33 1HB SER 6 2HB SER 6 -5.238 5.826 4.704
34 2HB SER 6 1HB SER 6 -6.816 5.053 4.554
35 HG SER 6 HG SER 6 -5.104 5.743 2.623
36 H LYS 7 H LYS 7 -6.477 5.833 6.741
37 HA LYS 7 HA LYS 7 -6.181 7.994 8.582
38 1HB LYS 7 2HB LYS 7 -5.338 5.140 9.057
39 2HB LYS 7 1HB LYS 7 -5.842 6.332 10.247
40 1HG LYS 7 2HG LYS 7 -8.111 6.297 9.168
41 2HG LYS 7 1HG LYS 7 -7.553 4.912 8.226
42 1HD LYS 7 2HD LYS 7 -7.516 5.027 11.239
43 2HD LYS 7 1HD LYS 7 -8.831 4.322 10.296
44 1HE LYS 7 2HE LYS 7 -7.534 2.554 9.565
45 2HE LYS 7 1HE LYS 7 -6.023 3.424 9.823
46 1HZ LYS 7 1HZ LYS 7 -7.792 2.469 12.006
47 2HZ LYS 7 2HZ LYS 7 -6.254 3.154 12.173
48 3HZ LYS 7 3HZ LYS 7 -6.428 1.634 11.451
49 H ASP 8 H ASP 8 -3.870 5.426 7.685
50 HA ASP 8 HA ASP 8 -1.746 7.104 7.019
51 1HB ASP 8 2HB ASP 8 -2.174 7.368 9.680
52 2HB ASP 8 1HB ASP 8 -1.054 6.010 9.681
53 H CYS 9 H CYS 9 -2.683 4.827 5.913
54 HA CYS 9 HA CYS 9 -0.728 2.760 6.623
55 1HB CYS 9 2HB CYS 9 -3.343 2.416 6.494
56 2HB CYS 9 1HB CYS 9 -2.959 2.155 4.807
57 H TYR 10 H TYR 10 -2.457 3.860 3.746
58 HA TYR 10 HA TYR 10 -0.805 2.849 1.809
59 1HB TYR 10 2HB TYR 10 -2.858 3.879 1.160
60 2HB TYR 10 1HB TYR 10 -2.386 5.421 1.864
61 HD1 TYR 10 1HD TYR 10 -1.519 7.071 0.488
62 HD2 TYR 10 2HD TYR 10 -1.349 3.019 -0.801
63 HE1 TYR 10 1HE TYR 10 -0.653 7.808 -1.692
64 HE2 TYR 10 2HE TYR 10 -0.482 3.745 -2.985
65 HH TYR 10 HH TYR 10 0.745 6.779 -3.560
66 H ALA 11 H ALA 11 -0.236 5.573 3.908
67 HA ALA 11 HA ALA 11 1.891 6.691 2.373
68 1HB ALA 11 1HB ALA 11 1.282 8.351 3.742
69 2HB ALA 11 2HB ALA 11 2.356 7.587 4.914
70 3HB ALA 11 3HB ALA 11 0.627 7.243 4.947
71 HA PRO 12 HA PRO 12 4.924 4.671 5.666
72 1HB PRO 12 2HB PRO 12 3.070 2.528 6.593
73 2HB PRO 12 1HB PRO 12 4.310 3.406 7.495
74 1HG PRO 12 2HG PRO 12 1.708 3.938 7.820
75 2HG PRO 12 1HG PRO 12 2.940 5.200 7.885
76 1HD PRO 12 2HD PRO 12 0.964 4.616 5.763
77 2HD PRO 12 1HD PRO 12 1.698 6.158 6.239
78 H CYS 13 H CYS 13 2.333 2.795 4.281
79 HA CYS 13 HA CYS 13 3.809 0.577 3.395
80 1HB CYS 13 2HB CYS 13 1.228 1.095 3.525
81 2HB CYS 13 1HB CYS 13 1.480 1.497 1.844
82 H ARG 14 H ARG 14 2.541 3.308 1.528
83 HA ARG 14 HA ARG 14 3.679 2.746 -0.891
84 1HB ARG 14 2HB ARG 14 2.140 4.593 -0.629
85 2HB ARG 14 1HB ARG 14 3.289 5.457 0.383
86 1HG ARG 14 2HG ARG 14 4.645 4.942 -2.005
87 2HG ARG 14 1HG ARG 14 3.019 5.434 -2.480
88 1HD ARG 14 2HD ARG 14 4.978 6.945 -0.763
89 2HD ARG 14 1HD ARG 14 4.356 7.404 -2.348
90 HE ARG 14 HE ARG 14 2.184 7.152 -0.616
91 1HH1 ARG 14 1HH1 ARG 14 4.997 9.178 -1.018
92 2HH1 ARG 14 2HH1 ARG 14 4.256 10.566 -0.296
93 1HH2 ARG 14 1HH2 ARG 14 1.207 8.977 0.333
94 2HH2 ARG 14 2HH2 ARG 14 2.104 10.452 0.472
95 H LYS 15 H LYS 15 5.194 4.124 1.932
96 HA LYS 15 HA LYS 15 7.626 4.904 0.719
97 1HB LYS 15 2HB LYS 15 6.529 5.042 3.265
98 2HB LYS 15 1HB LYS 15 7.896 3.955 3.460
99 1HG LYS 15 2HG LYS 15 8.911 5.955 3.857
100 2HG LYS 15 1HG LYS 15 9.160 5.825 2.116
101 1HD LYS 15 2HD LYS 15 6.843 7.070 2.024
102 2HD LYS 15 1HD LYS 15 7.306 7.586 3.647
103 1HE LYS 15 2HE LYS 15 8.337 9.259 2.551
104 2HE LYS 15 1HE LYS 15 9.603 8.056 2.308
105 1HZ LYS 15 1HZ LYS 15 8.588 7.506 0.166
106 2HZ LYS 15 2HZ LYS 15 9.058 9.129 0.236
107 3HZ LYS 15 3HZ LYS 15 7.426 8.716 0.398
108 H GLN 16 H GLN 16 6.528 1.926 2.279
109 HA GLN 16 HA GLN 16 9.000 0.545 1.994
110 1HB GLN 16 2HB GLN 16 6.894 0.083 3.522
111 2HB GLN 16 1HB GLN 16 6.404 -0.919 2.162
112 1HG GLN 16 2HG GLN 16 8.193 -2.372 2.422
113 2HG GLN 16 1HG GLN 16 9.125 -1.209 3.365
114 1HE2 GLN 16 1HE2 GLN 16 8.978 -1.246 5.523
115 2HE2 GLN 16 2HE2 GLN 16 7.913 -2.262 6.425
116 H THR 17 H THR 17 5.894 0.225 0.243
117 HA THR 17 HA THR 17 6.961 -1.549 -1.697
118 HB THR 17 HB THR 17 4.440 0.111 -1.744
119 HG1 THR 17 1HG THR 17 4.538 -1.421 -0.054
120 1HG2 THR 17 1HG2 THR 17 4.870 -0.570 -3.987
121 2HG2 THR 17 2HG2 THR 17 3.612 -1.614 -3.326
122 3HG2 THR 17 3HG2 THR 17 5.266 -2.208 -3.468
123 H GLY 18 H GLY 18 5.780 1.764 -2.097
124 1HA GLY 18 2HA GLY 18 7.410 3.320 -3.151
125 2HA GLY 18 1HA GLY 18 7.613 2.052 -4.324
126 H CYS 19 H CYS 19 6.476 2.148 -6.069
127 HA CYS 19 HA CYS 19 5.153 3.989 -7.240
128 1HB CYS 19 2HB CYS 19 3.550 2.316 -8.216
129 2HB CYS 19 1HB CYS 19 5.272 2.064 -8.404
130 HA PRO 20 HA PRO 20 1.732 5.549 -4.890
131 1HB PRO 20 2HB PRO 20 0.235 6.530 -6.987
132 2HB PRO 20 1HB PRO 20 1.597 7.373 -6.243
133 1HG PRO 20 2HG PRO 20 1.521 5.727 -8.739
134 2HG PRO 20 1HG PRO 20 2.363 7.258 -8.429
135 1HD PRO 20 2HD PRO 20 3.672 4.921 -8.421
136 2HD PRO 20 1HD PRO 20 4.092 6.218 -7.283
137 H TYR 21 H TYR 21 1.384 3.121 -7.322
138 HA TYR 21 HA TYR 21 -1.398 2.733 -7.151
139 1HB TYR 21 2HB TYR 21 0.343 0.437 -7.810
140 2HB TYR 21 1HB TYR 21 -1.045 1.084 -8.645
141 HD1 TYR 21 1HD TYR 21 2.057 0.275 -9.362
142 HD2 TYR 21 2HD TYR 21 -0.302 3.814 -9.259
143 HE1 TYR 21 1HE TYR 21 3.532 1.301 -11.040
144 HE2 TYR 21 2HE TYR 21 1.166 4.849 -10.938
145 HH TYR 21 HH TYR 21 2.962 3.474 -12.909
146 H GLY 22 H GLY 22 -2.328 0.625 -6.396
147 1HA GLY 22 2HA GLY 22 -1.274 -1.074 -4.514
148 2HA GLY 22 1HA GLY 22 -1.790 0.324 -3.594
149 H LYS 23 H LYS 23 -2.872 -2.208 -3.164
150 HA LYS 23 HA LYS 23 -5.513 -2.032 -4.419
151 1HB LYS 23 2HB LYS 23 -5.529 -4.365 -2.926
152 2HB LYS 23 1HB LYS 23 -5.277 -4.248 -4.659
153 1HG LYS 23 2HG LYS 23 -2.795 -3.967 -4.081
154 2HG LYS 23 1HG LYS 23 -3.247 -4.565 -2.482
155 1HD LYS 23 2HD LYS 23 -4.442 -6.433 -3.944
156 2HD LYS 23 1HD LYS 23 -3.189 -5.971 -5.098
157 1HE LYS 23 2HE LYS 23 -1.463 -6.598 -3.653
158 2HE LYS 23 1HE LYS 23 -2.517 -6.584 -2.241
159 1HZ LYS 23 1HZ LYS 23 -3.510 -8.584 -2.878
160 2HZ LYS 23 2HZ LYS 23 -1.862 -8.831 -3.174
161 3HZ LYS 23 3HZ LYS 23 -2.910 -8.500 -4.459
162 H CYS 24 H CYS 24 -4.656 -0.219 -2.424
163 HA CYS 24 HA CYS 24 -5.773 -0.979 0.097
164 1HB CYS 24 2HB CYS 24 -5.089 1.145 0.861
165 2HB CYS 24 1HB CYS 24 -3.877 0.681 -0.320
166 H MET 25 H MET 25 -7.793 -0.873 0.738
167 HA MET 25 HA MET 25 -9.695 0.746 -0.831
168 1HB MET 25 2HB MET 25 -11.418 -0.869 -0.266
169 2HB MET 25 1HB MET 25 -10.065 -1.693 -1.029
170 1HG MET 25 2HG MET 25 -9.271 -2.423 1.160
171 2HG MET 25 1HG MET 25 -10.626 -1.594 1.926
172 1HE MET 25 1HE MET 25 -12.556 -4.249 2.744
173 2HE MET 25 2HE MET 25 -13.494 -3.179 1.700
174 3HE MET 25 3HE MET 25 -12.234 -2.516 2.741
175 H ASN 26 H ASN 26 -11.225 1.941 0.258
176 HA ASN 26 HA ASN 26 -10.512 3.256 2.545
177 1HB ASN 26 2HB ASN 26 -13.428 2.775 2.150
178 2HB ASN 26 1HB ASN 26 -12.589 4.262 2.561
179 1HD2 ASN 26 1HD2 ASN 26 -13.742 2.240 0.033
180 2HD2 ASN 26 2HD2 ASN 26 -13.359 3.294 -1.282
181 H ARG 27 H ARG 27 -10.345 2.772 4.595
182 HA ARG 27 HA ARG 27 -10.685 1.839 6.644
183 1HB ARG 27 2HB ARG 27 -13.186 1.456 5.367
184 2HB ARG 27 1HB ARG 27 -12.789 -0.010 6.260
185 1HG ARG 27 2HG ARG 27 -12.181 2.394 7.759
186 2HG ARG 27 1HG ARG 27 -13.868 2.297 7.294
187 1HD ARG 27 2HD ARG 27 -12.975 1.215 9.521
188 2HD ARG 27 1HD ARG 27 -14.265 0.462 8.588
189 HE ARG 27 HE ARG 27 -11.601 -0.421 7.909
190 1HH1 ARG 27 1HH1 ARG 27 -14.394 -0.960 9.933
191 2HH1 ARG 27 2HH1 ARG 27 -14.013 -2.622 10.229
192 1HH2 ARG 27 1HH2 ARG 27 -11.099 -2.607 8.299
193 2HH2 ARG 27 2HH2 ARG 27 -12.142 -3.557 9.302
194 H LYS 28 H LYS 28 -9.084 0.695 4.483
195 HA LYS 28 HA LYS 28 -7.994 -1.500 5.729
196 1HB LYS 28 2HB LYS 28 -10.035 -2.741 5.388
197 2HB LYS 28 1HB LYS 28 -10.069 -2.312 3.684
198 1HG LYS 28 2HG LYS 28 -9.352 -4.577 3.882
199 2HG LYS 28 1HG LYS 28 -7.967 -3.605 3.381
200 1HD LYS 28 2HD LYS 28 -6.846 -3.975 5.306
201 2HD LYS 28 1HD LYS 28 -8.312 -3.919 6.289
202 1HE LYS 28 2HE LYS 28 -8.727 -6.205 4.911
203 2HE LYS 28 1HE LYS 28 -6.966 -6.208 5.009
204 1HZ LYS 28 1HZ LYS 28 -7.575 -7.290 6.929
205 2HZ LYS 28 2HZ LYS 28 -8.942 -6.329 7.186
206 3HZ LYS 28 3HZ LYS 28 -7.402 -5.703 7.491
207 H CYS 29 H CYS 29 -6.109 -0.584 4.986
208 HA CYS 29 HA CYS 29 -5.570 0.086 2.352
209 1HB CYS 29 2HB CYS 29 -3.315 0.214 3.346
210 2HB CYS 29 1HB CYS 29 -4.495 1.134 4.203
211 H LYS 30 H LYS 30 -4.011 -0.952 0.943
212 HA LYS 30 HA LYS 30 -3.019 -3.560 1.485
213 1HB LYS 30 2HB LYS 30 -5.661 -3.433 0.489
214 2HB LYS 30 1HB LYS 30 -4.651 -3.942 -0.857
215 1HG LYS 30 2HG LYS 30 -5.088 -5.977 0.022
216 2HG LYS 30 1HG LYS 30 -3.678 -5.573 1.004
217 1HD LYS 30 2HD LYS 30 -6.102 -4.514 2.170
218 2HD LYS 30 1HD LYS 30 -6.225 -6.255 1.914
219 1HE LYS 30 2HE LYS 30 -3.775 -5.084 3.169
220 2HE LYS 30 1HE LYS 30 -5.227 -5.345 4.135
221 1HZ LYS 30 1HZ LYS 30 -3.724 -7.409 2.618
222 2HZ LYS 30 2HZ LYS 30 -5.178 -7.688 3.435
223 3HZ LYS 30 3HZ LYS 30 -3.795 -7.246 4.301
224 H CYS 31 H CYS 31 -1.164 -2.457 0.929
225 HA CYS 31 HA CYS 31 -0.392 -0.951 -1.164
226 1HB CYS 31 2HB CYS 31 0.900 -2.935 0.518
227 2HB CYS 31 1HB CYS 31 1.654 -2.812 -1.066
228 H ASN 32 H ASN 32 0.931 -1.475 -3.003
229 HA ASN 32 HA ASN 32 -0.508 -3.201 -4.841
230 1HB ASN 32 2HB ASN 32 0.381 -0.726 -5.103
231 2HB ASN 32 1HB ASN 32 1.821 -1.567 -5.611
232 1HD2 ASN 32 1HD2 ASN 32 -1.634 -2.166 -6.112
233 2HD2 ASN 32 2HD2 ASN 32 -1.550 -2.233 -7.835
234 H ARG 33 H ARG 33 1.081 -4.054 -6.616
235 HA ARG 33 HA ARG 33 3.155 -5.632 -5.246
236 1HB ARG 33 2HB ARG 33 1.280 -6.961 -6.224
237 2HB ARG 33 1HB ARG 33 1.681 -6.309 -7.807
238 1HG ARG 33 2HG ARG 33 2.561 -8.571 -7.472
239 2HG ARG 33 1HG ARG 33 3.841 -7.388 -7.748
240 1HD ARG 33 2HD ARG 33 4.277 -7.284 -5.352
241 2HD ARG 33 1HD ARG 33 2.973 -8.434 -5.054
242 HE ARG 33 HE ARG 33 5.631 -9.024 -5.976
243 1HH1 ARG 33 1HH1 ARG 33 2.323 -10.134 -5.882
244 2HH1 ARG 33 2HH1 ARG 33 2.745 -11.800 -6.097
245 1HH2 ARG 33 1HH2 ARG 33 6.187 -11.214 -6.259
246 2HH2 ARG 33 2HH2 ARG 33 4.938 -12.413 -6.310
247 H CYS 34 H CYS 34 4.568 -3.888 -5.470
248 HA CYS 34 HA CYS 34 5.367 -3.058 -8.120
249 1HB CYS 34 2HB CYS 34 5.278 -1.860 -5.653
250 2HB CYS 34 1HB CYS 34 6.987 -2.098 -5.945
Start of MODEL 11
1 1H VAL 1 1HT VAL 1 -9.387 4.266 -8.995
2 2H VAL 1 2HT VAL 1 -10.473 4.128 -7.673
3 3H VAL 1 3HT VAL 1 -9.572 2.762 -8.192
4 HA VAL 1 HA VAL 1 -7.584 3.653 -7.462
5 HB VAL 1 HB VAL 1 -7.536 5.913 -6.361
6 1HG1 VAL 1 1HG1 VAL 1 -6.706 5.449 -8.667
7 2HG1 VAL 1 2HG1 VAL 1 -7.226 7.114 -8.408
8 3HG1 VAL 1 3HG1 VAL 1 -8.267 5.990 -9.284
9 1HG2 VAL 1 1HG2 VAL 1 -9.289 7.369 -6.418
10 2HG2 VAL 1 2HG2 VAL 1 -10.189 5.853 -6.365
11 3HG2 VAL 1 3HG2 VAL 1 -9.953 6.686 -7.902
12 H SER 2 H SER 2 -6.937 3.134 -5.429
13 HA SER 2 HA SER 2 -9.072 2.706 -3.457
14 1HB SER 2 2HB SER 2 -6.545 1.480 -2.750
15 2HB SER 2 1HB SER 2 -8.117 0.725 -3.017
16 HG SER 2 HG SER 2 -6.029 1.189 -4.838
17 H CYS 3 H CYS 3 -9.171 3.974 -1.735
18 HA CYS 3 HA CYS 3 -8.648 5.525 -0.156
19 1HB CYS 3 2HB CYS 3 -5.762 4.734 -0.271
20 2HB CYS 3 1HB CYS 3 -6.749 5.144 1.126
21 H THR 4 H THR 4 -7.292 7.484 0.313
22 HA THR 4 HA THR 4 -5.639 8.558 -1.752
23 HB THR 4 HB THR 4 -8.271 9.978 -1.385
24 HG1 THR 4 1HG THR 4 -7.559 8.046 -3.327
25 1HG2 THR 4 1HG2 THR 4 -5.879 10.393 -3.027
26 2HG2 THR 4 2HG2 THR 4 -7.080 11.546 -2.446
27 3HG2 THR 4 3HG2 THR 4 -7.417 10.563 -3.872
28 H GLY 5 H GLY 5 -5.579 8.125 1.111
29 1HA GLY 5 2HA GLY 5 -4.178 10.238 2.047
30 2HA GLY 5 1HA GLY 5 -5.839 10.719 2.359
31 H SER 6 H SER 6 -7.144 9.334 3.731
32 HA SER 6 HA SER 6 -7.498 8.249 5.699
33 1HB SER 6 2HB SER 6 -5.152 6.467 5.375
34 2HB SER 6 1HB SER 6 -6.839 6.067 5.697
35 HG SER 6 HG SER 6 -7.187 6.714 3.425
36 H LYS 7 H LYS 7 -5.812 7.057 7.545
37 HA LYS 7 HA LYS 7 -4.815 9.302 8.934
38 1HB LYS 7 2HB LYS 7 -4.588 6.333 9.354
39 2HB LYS 7 1HB LYS 7 -3.739 7.462 10.401
40 1HG LYS 7 2HG LYS 7 -5.734 6.968 11.516
41 2HG LYS 7 1HG LYS 7 -5.994 8.558 10.797
42 1HD LYS 7 2HD LYS 7 -7.950 7.148 10.478
43 2HD LYS 7 1HD LYS 7 -7.188 7.503 8.928
44 1HE LYS 7 2HE LYS 7 -6.578 5.353 8.583
45 2HE LYS 7 1HE LYS 7 -6.268 5.055 10.293
46 1HZ LYS 7 1HZ LYS 7 -8.132 3.763 9.686
47 2HZ LYS 7 2HZ LYS 7 -8.888 5.060 8.908
48 3HZ LYS 7 3HZ LYS 7 -8.737 5.057 10.592
49 H ASP 8 H ASP 8 -3.062 6.521 7.544
50 HA ASP 8 HA ASP 8 -1.074 7.932 6.252
51 1HB ASP 8 2HB ASP 8 -0.670 7.798 9.150
52 2HB ASP 8 1HB ASP 8 0.694 7.168 8.231
53 H CYS 9 H CYS 9 -1.866 6.007 5.060
54 HA CYS 9 HA CYS 9 -0.461 3.556 5.840
55 1HB CYS 9 2HB CYS 9 -3.045 3.735 5.367
56 2HB CYS 9 1HB CYS 9 -2.500 3.525 3.717
57 H TYR 10 H TYR 10 -1.543 5.071 2.846
58 HA TYR 10 HA TYR 10 0.139 3.875 1.061
59 1HB TYR 10 2HB TYR 10 -1.269 6.465 1.184
60 2HB TYR 10 1HB TYR 10 0.081 6.410 0.057
61 HD1 TYR 10 1HD TYR 10 -0.070 3.667 -0.962
62 HD2 TYR 10 2HD TYR 10 -3.185 6.439 -0.125
63 HE1 TYR 10 1HE TYR 10 -1.498 2.557 -2.624
64 HE2 TYR 10 2HE TYR 10 -4.623 5.335 -1.785
65 HH TYR 10 HH TYR 10 -3.423 3.021 -4.005
66 H ALA 11 H ALA 11 0.911 6.336 3.399
67 HA ALA 11 HA ALA 11 3.395 7.103 2.238
68 1HB ALA 11 1HB ALA 11 2.687 8.764 3.613
69 2HB ALA 11 2HB ALA 11 3.743 7.916 4.742
70 3HB ALA 11 3HB ALA 11 2.001 7.648 4.794
71 HA PRO 12 HA PRO 12 5.527 4.551 5.869
72 1HB PRO 12 2HB PRO 12 3.747 2.447 6.540
73 2HB PRO 12 1HB PRO 12 4.259 3.781 7.576
74 1HG PRO 12 2HG PRO 12 1.783 3.477 5.964
75 2HG PRO 12 1HG PRO 12 2.034 4.328 7.496
76 1HD PRO 12 2HD PRO 12 1.735 5.670 5.202
77 2HD PRO 12 1HD PRO 12 2.877 6.226 6.446
78 H CYS 13 H CYS 13 3.288 3.321 3.498
79 HA CYS 13 HA CYS 13 4.924 1.001 2.921
80 1HB CYS 13 2HB CYS 13 2.277 1.398 2.804
81 2HB CYS 13 1HB CYS 13 2.711 1.696 1.137
82 H ARG 14 H ARG 14 3.658 3.757 1.064
83 HA ARG 14 HA ARG 14 4.981 3.322 -1.277
84 1HB ARG 14 2HB ARG 14 3.407 5.136 -1.104
85 2HB ARG 14 1HB ARG 14 4.392 5.950 0.101
86 1HG ARG 14 2HG ARG 14 6.081 5.731 -2.074
87 2HG ARG 14 1HG ARG 14 4.509 6.071 -2.794
88 1HD ARG 14 2HD ARG 14 5.675 7.669 -0.525
89 2HD ARG 14 1HD ARG 14 5.902 8.087 -2.222
90 HE ARG 14 HE ARG 14 3.147 7.752 -1.497
91 1HH1 ARG 14 1HH1 ARG 14 5.821 9.994 -1.555
92 2HH1 ARG 14 2HH1 ARG 14 4.805 11.398 -1.569
93 1HH2 ARG 14 1HH2 ARG 14 1.812 9.596 -1.515
94 2HH2 ARG 14 2HH2 ARG 14 2.529 11.172 -1.545
95 H LYS 15 H LYS 15 6.314 4.424 1.721
96 HA LYS 15 HA LYS 15 8.775 5.386 0.734
97 1HB LYS 15 2HB LYS 15 7.611 4.754 3.316
98 2HB LYS 15 1HB LYS 15 9.291 4.239 3.239
99 1HG LYS 15 2HG LYS 15 8.668 6.959 2.255
100 2HG LYS 15 1HG LYS 15 8.566 6.680 3.995
101 1HD LYS 15 2HD LYS 15 10.803 6.382 4.213
102 2HD LYS 15 1HD LYS 15 10.960 5.608 2.635
103 1HE LYS 15 2HE LYS 15 10.243 8.473 2.629
104 2HE LYS 15 1HE LYS 15 11.871 8.077 3.177
105 1HZ LYS 15 1HZ LYS 15 12.019 6.702 1.065
106 2HZ LYS 15 2HZ LYS 15 12.061 8.382 0.886
107 3HZ LYS 15 3HZ LYS 15 10.639 7.532 0.545
108 H GLN 16 H GLN 16 7.837 2.216 2.086
109 HA GLN 16 HA GLN 16 10.320 1.000 1.384
110 1HB GLN 16 2HB GLN 16 9.177 -1.131 1.982
111 2HB GLN 16 1HB GLN 16 9.123 0.097 3.237
112 1HG GLN 16 2HG GLN 16 6.826 0.648 2.576
113 2HG GLN 16 1HG GLN 16 6.886 -0.624 1.358
114 1HE2 GLN 16 1HE2 GLN 16 6.250 -2.583 1.928
115 2HE2 GLN 16 2HE2 GLN 16 6.011 -3.135 3.547
116 H THR 17 H THR 17 7.031 0.647 -0.002
117 HA THR 17 HA THR 17 7.910 -1.057 -2.081
118 HB THR 17 HB THR 17 5.614 -1.038 -1.145
119 HG1 THR 17 1HG THR 17 5.009 -1.881 -2.953
120 1HG2 THR 17 1HG2 THR 17 5.256 1.391 -1.059
121 2HG2 THR 17 2HG2 THR 17 3.979 0.537 -1.924
122 3HG2 THR 17 3HG2 THR 17 5.210 1.426 -2.820
123 H GLY 18 H GLY 18 6.939 2.342 -2.105
124 1HA GLY 18 2HA GLY 18 8.294 3.856 -3.485
125 2HA GLY 18 1HA GLY 18 8.255 2.594 -4.684
126 H CYS 19 H CYS 19 6.814 2.784 -6.213
127 HA CYS 19 HA CYS 19 5.234 4.727 -6.881
128 1HB CYS 19 2HB CYS 19 3.560 2.914 -7.693
129 2HB CYS 19 1HB CYS 19 5.094 3.237 -8.454
130 HA PRO 20 HA PRO 20 2.050 5.433 -3.926
131 1HB PRO 20 2HB PRO 20 0.226 6.734 -5.429
132 2HB PRO 20 1HB PRO 20 1.771 7.455 -4.963
133 1HG PRO 20 2HG PRO 20 0.993 6.152 -7.546
134 2HG PRO 20 1HG PRO 20 1.896 7.657 -7.280
135 1HD PRO 20 2HD PRO 20 3.106 5.306 -7.882
136 2HD PRO 20 1HD PRO 20 3.869 6.547 -6.867
137 H TYR 21 H TYR 21 1.657 3.038 -6.198
138 HA TYR 21 HA TYR 21 -1.132 2.676 -6.146
139 1HB TYR 21 2HB TYR 21 0.661 0.340 -6.499
140 2HB TYR 21 1HB TYR 21 -0.733 0.848 -7.409
141 HD1 TYR 21 1HD TYR 21 2.242 -0.036 -8.203
142 HD2 TYR 21 2HD TYR 21 0.075 3.625 -8.136
143 HE1 TYR 21 1HE TYR 21 3.683 0.843 -9.991
144 HE2 TYR 21 2HE TYR 21 1.513 4.516 -9.921
145 HH TYR 21 HH TYR 21 3.561 2.581 -11.768
146 H GLY 22 H GLY 22 -2.161 0.706 -5.217
147 1HA GLY 22 2HA GLY 22 -1.089 -0.684 -3.024
148 2HA GLY 22 1HA GLY 22 -1.967 0.695 -2.417
149 H LYS 23 H LYS 23 -2.593 -2.159 -2.022
150 HA LYS 23 HA LYS 23 -5.036 -2.434 -3.601
151 1HB LYS 23 2HB LYS 23 -3.175 -4.305 -2.764
152 2HB LYS 23 1HB LYS 23 -4.513 -4.541 -1.648
153 1HG LYS 23 2HG LYS 23 -5.888 -5.350 -3.249
154 2HG LYS 23 1HG LYS 23 -5.205 -4.324 -4.511
155 1HD LYS 23 2HD LYS 23 -3.604 -5.835 -5.060
156 2HD LYS 23 1HD LYS 23 -3.426 -6.409 -3.402
157 1HE LYS 23 2HE LYS 23 -4.391 -8.233 -4.431
158 2HE LYS 23 1HE LYS 23 -5.801 -7.401 -3.776
159 1HZ LYS 23 1HZ LYS 23 -5.659 -8.205 -6.281
160 2HZ LYS 23 2HZ LYS 23 -4.976 -6.670 -6.474
161 3HZ LYS 23 3HZ LYS 23 -6.529 -6.828 -5.822
162 H CYS 24 H CYS 24 -4.175 -0.819 -0.999
163 HA CYS 24 HA CYS 24 -5.765 -1.505 1.128
164 1HB CYS 24 2HB CYS 24 -5.476 0.735 1.892
165 2HB CYS 24 1HB CYS 24 -4.019 0.302 1.017
166 H MET 25 H MET 25 -7.858 -1.676 1.430
167 HA MET 25 HA MET 25 -9.686 -0.239 -0.383
168 1HB MET 25 2HB MET 25 -9.537 -2.913 -0.107
169 2HB MET 25 1HB MET 25 -10.671 -2.555 1.188
170 1HG MET 25 2HG MET 25 -12.285 -1.770 -0.259
171 2HG MET 25 1HG MET 25 -11.121 -1.429 -1.537
172 1HE MET 25 1HE MET 25 -10.210 -3.525 -3.310
173 2HE MET 25 2HE MET 25 -11.559 -2.404 -3.487
174 3HE MET 25 3HE MET 25 -11.779 -4.113 -3.863
175 H ASN 26 H ASN 26 -11.462 0.802 0.467
176 HA ASN 26 HA ASN 26 -11.200 2.204 2.800
177 1HB ASN 26 2HB ASN 26 -13.973 1.415 2.053
178 2HB ASN 26 1HB ASN 26 -13.348 2.989 2.516
179 1HD2 ASN 26 1HD2 ASN 26 -13.439 4.396 0.941
180 2HD2 ASN 26 2HD2 ASN 26 -13.208 4.072 -0.740
181 H ARG 27 H ARG 27 -11.243 1.741 4.866
182 HA ARG 27 HA ARG 27 -11.746 0.776 6.868
183 1HB ARG 27 2HB ARG 27 -14.055 0.353 5.434
184 2HB ARG 27 1HB ARG 27 -13.596 -1.281 5.895
185 1HG ARG 27 2HG ARG 27 -13.304 0.417 8.162
186 2HG ARG 27 1HG ARG 27 -14.895 0.687 7.448
187 1HD ARG 27 2HD ARG 27 -15.011 -1.908 7.375
188 2HD ARG 27 1HD ARG 27 -13.723 -1.824 8.577
189 HE ARG 27 HE ARG 27 -15.308 -1.286 10.114
190 1HH1 ARG 27 1HH1 ARG 27 -16.514 -0.384 6.965
191 2HH1 ARG 27 2HH1 ARG 27 -18.055 0.128 7.564
192 1HH2 ARG 27 1HH2 ARG 27 -17.336 -0.612 10.904
193 2HH2 ARG 27 2HH2 ARG 27 -18.522 -0.001 9.800
194 H LYS 28 H LYS 28 -9.746 -0.166 4.968
195 HA LYS 28 HA LYS 28 -8.601 -2.238 6.346
196 1HB LYS 28 2HB LYS 28 -10.722 -3.177 4.565
197 2HB LYS 28 1HB LYS 28 -9.177 -3.957 4.258
198 1HG LYS 28 2HG LYS 28 -10.030 -3.761 7.081
199 2HG LYS 28 1HG LYS 28 -10.934 -4.864 6.041
200 1HD LYS 28 2HD LYS 28 -8.391 -5.484 5.350
201 2HD LYS 28 1HD LYS 28 -8.172 -5.038 7.043
202 1HE LYS 28 2HE LYS 28 -9.562 -6.733 7.801
203 2HE LYS 28 1HE LYS 28 -10.377 -6.895 6.247
204 1HZ LYS 28 1HZ LYS 28 -8.921 -8.759 6.622
205 2HZ LYS 28 2HZ LYS 28 -7.596 -7.736 6.863
206 3HZ LYS 28 3HZ LYS 28 -8.321 -7.834 5.337
207 H CYS 29 H CYS 29 -6.726 -1.198 5.823
208 HA CYS 29 HA CYS 29 -5.988 -0.541 3.167
209 1HB CYS 29 2HB CYS 29 -5.198 0.496 5.387
210 2HB CYS 29 1HB CYS 29 -4.037 -0.812 5.380
211 H LYS 30 H LYS 30 -3.984 -1.344 2.129
212 HA LYS 30 HA LYS 30 -2.604 -3.613 2.744
213 1HB LYS 30 2HB LYS 30 -3.758 -5.310 1.218
214 2HB LYS 30 1HB LYS 30 -4.483 -5.019 2.791
215 1HG LYS 30 2HG LYS 30 -5.994 -3.351 1.568
216 2HG LYS 30 1HG LYS 30 -5.432 -4.140 0.094
217 1HD LYS 30 2HD LYS 30 -6.495 -5.774 2.361
218 2HD LYS 30 1HD LYS 30 -7.608 -4.972 1.251
219 1HE LYS 30 2HE LYS 30 -7.375 -6.979 0.186
220 2HE LYS 30 1HE LYS 30 -6.053 -6.086 -0.564
221 1HZ LYS 30 1HZ LYS 30 -4.493 -7.290 0.529
222 2HZ LYS 30 2HZ LYS 30 -5.710 -8.464 0.484
223 3HZ LYS 30 3HZ LYS 30 -5.463 -7.557 1.890
224 H CYS 31 H CYS 31 -1.115 -2.336 1.725
225 HA CYS 31 HA CYS 31 -0.979 -1.133 -0.706
226 1HB CYS 31 2HB CYS 31 1.259 -2.926 0.196
227 2HB CYS 31 1HB CYS 31 1.361 -1.388 -0.654
228 H ASN 32 H ASN 32 0.221 -1.797 -2.617
229 HA ASN 32 HA ASN 32 -0.867 -4.299 -3.685
230 1HB ASN 32 2HB ASN 32 -1.335 -1.851 -4.486
231 2HB ASN 32 1HB ASN 32 0.162 -2.089 -5.339
232 1HD2 ASN 32 1HD2 ASN 32 -3.056 -2.240 -5.679
233 2HD2 ASN 32 2HD2 ASN 32 -3.187 -3.435 -6.919
234 H ARG 33 H ARG 33 0.469 -4.856 -5.770
235 HA ARG 33 HA ARG 33 3.120 -5.516 -4.838
236 1HB ARG 33 2HB ARG 33 1.542 -6.983 -6.320
237 2HB ARG 33 1HB ARG 33 2.154 -6.005 -7.647
238 1HG ARG 33 2HG ARG 33 3.458 -7.976 -7.578
239 2HG ARG 33 1HG ARG 33 4.468 -6.674 -6.947
240 1HD ARG 33 2HD ARG 33 3.500 -7.469 -4.641
241 2HD ARG 33 1HD ARG 33 3.210 -8.971 -5.519
242 HE ARG 33 HE ARG 33 5.745 -7.916 -4.670
243 1HH1 ARG 33 1HH1 ARG 33 4.141 -10.010 -6.955
244 2HH1 ARG 33 2HH1 ARG 33 5.550 -10.972 -7.253
245 1HH2 ARG 33 1HH2 ARG 33 7.599 -9.181 -5.060
246 2HH2 ARG 33 2HH2 ARG 33 7.513 -10.502 -6.177
247 H CYS 34 H CYS 34 3.562 -3.278 -4.586
248 HA CYS 34 HA CYS 34 4.374 -1.893 -7.029
249 1HB CYS 34 2HB CYS 34 2.934 -0.553 -5.766
250 2HB CYS 34 1HB CYS 34 3.710 -0.998 -4.268
Start of MODEL 12
1 1H VAL 1 1HT VAL 1 -1.889 9.340 -6.645
2 2H VAL 1 2HT VAL 1 -3.270 10.347 -6.482
3 3H VAL 1 3HT VAL 1 -2.238 10.515 -7.843
4 HA VAL 1 HA VAL 1 -4.440 9.275 -8.049
5 HB VAL 1 HB VAL 1 -3.422 7.756 -9.724
6 1HG1 VAL 1 1HG1 VAL 1 -3.741 10.354 -9.928
7 2HG1 VAL 1 2HG1 VAL 1 -2.920 9.443 -11.195
8 3HG1 VAL 1 3HG1 VAL 1 -1.980 10.348 -10.009
9 1HG2 VAL 1 1HG2 VAL 1 -0.884 8.653 -8.392
10 2HG2 VAL 1 2HG2 VAL 1 -0.906 8.056 -10.051
11 3HG2 VAL 1 3HG2 VAL 1 -1.431 7.011 -8.731
12 H SER 2 H SER 2 -5.503 7.387 -7.662
13 HA SER 2 HA SER 2 -6.071 5.441 -6.635
14 1HB SER 2 2HB SER 2 -3.087 4.937 -6.751
15 2HB SER 2 1HB SER 2 -4.301 3.724 -6.341
16 HG SER 2 HG SER 2 -4.749 3.511 -8.382
17 H CYS 3 H CYS 3 -6.790 5.335 -4.624
18 HA CYS 3 HA CYS 3 -6.944 5.536 -2.359
19 1HB CYS 3 2HB CYS 3 -3.974 5.043 -2.523
20 2HB CYS 3 1HB CYS 3 -4.903 5.029 -1.033
21 H THR 4 H THR 4 -5.792 6.667 -0.412
22 HA THR 4 HA THR 4 -4.433 9.111 -0.934
23 HB THR 4 HB THR 4 -7.284 9.429 0.006
24 HG1 THR 4 1HG THR 4 -6.215 9.600 -2.604
25 1HG2 THR 4 1HG2 THR 4 -6.352 11.392 0.613
26 2HG2 THR 4 2HG2 THR 4 -6.671 11.773 -1.080
27 3HG2 THR 4 3HG2 THR 4 -5.055 11.276 -0.577
28 H GLY 5 H GLY 5 -3.381 7.516 0.662
29 1HA GLY 5 2HA GLY 5 -4.053 6.831 3.150
30 2HA GLY 5 1HA GLY 5 -2.476 7.522 2.809
31 H SER 6 H SER 6 -5.365 7.869 4.508
32 HA SER 6 HA SER 6 -4.854 10.670 5.099
33 1HB SER 6 2HB SER 6 -7.248 9.118 4.783
34 2HB SER 6 1HB SER 6 -7.232 9.939 6.342
35 HG SER 6 HG SER 6 -6.771 11.207 3.843
36 H LYS 7 H LYS 7 -5.517 7.699 6.506
37 HA LYS 7 HA LYS 7 -5.198 8.463 9.225
38 1HB LYS 7 2HB LYS 7 -5.507 5.887 7.764
39 2HB LYS 7 1HB LYS 7 -4.839 5.824 9.390
40 1HG LYS 7 2HG LYS 7 -7.047 5.587 9.872
41 2HG LYS 7 1HG LYS 7 -6.923 7.345 9.934
42 1HD LYS 7 2HD LYS 7 -8.735 7.175 8.568
43 2HD LYS 7 1HD LYS 7 -7.467 7.078 7.343
44 1HE LYS 7 2HE LYS 7 -7.879 4.903 6.901
45 2HE LYS 7 1HE LYS 7 -8.241 4.522 8.583
46 1HZ LYS 7 1HZ LYS 7 -10.083 4.606 6.677
47 2HZ LYS 7 2HZ LYS 7 -10.171 6.207 7.213
48 3HZ LYS 7 3HZ LYS 7 -10.422 4.938 8.301
49 H ASP 8 H ASP 8 -3.206 6.252 7.276
50 HA ASP 8 HA ASP 8 -0.754 7.369 7.429
51 1HB ASP 8 2HB ASP 8 -1.582 6.508 10.096
52 2HB ASP 8 1HB ASP 8 -0.049 5.797 9.605
53 H CYS 9 H CYS 9 -2.063 5.552 5.797
54 HA CYS 9 HA CYS 9 -0.562 3.064 6.162
55 1HB CYS 9 2HB CYS 9 -3.144 3.183 5.799
56 2HB CYS 9 1HB CYS 9 -2.679 3.330 4.119
57 H TYR 10 H TYR 10 -1.793 4.814 3.362
58 HA TYR 10 HA TYR 10 0.011 3.932 1.502
59 1HB TYR 10 2HB TYR 10 -1.973 5.921 1.620
60 2HB TYR 10 1HB TYR 10 -0.521 6.734 1.046
61 HD1 TYR 10 1HD TYR 10 -0.930 7.095 -1.223
62 HD2 TYR 10 2HD TYR 10 -1.641 3.239 0.427
63 HE1 TYR 10 1HE TYR 10 -1.328 6.208 -3.482
64 HE2 TYR 10 2HE TYR 10 -2.040 2.341 -1.827
65 HH TYR 10 HH TYR 10 -2.655 4.201 -4.463
66 H ALA 11 H ALA 11 0.545 6.220 4.062
67 HA ALA 11 HA ALA 11 2.883 7.383 2.919
68 1HB ALA 11 1HB ALA 11 1.453 7.594 5.473
69 2HB ALA 11 2HB ALA 11 2.209 8.845 4.487
70 3HB ALA 11 3HB ALA 11 3.194 7.865 5.572
71 HA PRO 12 HA PRO 12 5.539 4.728 6.009
72 1HB PRO 12 2HB PRO 12 4.050 2.553 6.978
73 2HB PRO 12 1HB PRO 12 4.556 3.964 7.910
74 1HG PRO 12 2HG PRO 12 1.936 3.384 6.615
75 2HG PRO 12 1HG PRO 12 2.279 4.239 8.130
76 1HD PRO 12 2HD PRO 12 1.582 5.565 5.911
77 2HD PRO 12 1HD PRO 12 2.789 6.226 7.035
78 H CYS 13 H CYS 13 2.981 3.569 3.991
79 HA CYS 13 HA CYS 13 4.279 1.172 3.131
80 1HB CYS 13 2HB CYS 13 1.752 1.890 3.147
81 2HB CYS 13 1HB CYS 13 2.154 2.479 1.555
82 H ARG 14 H ARG 14 3.367 4.161 1.441
83 HA ARG 14 HA ARG 14 4.703 3.666 -0.898
84 1HB ARG 14 2HB ARG 14 4.180 6.272 0.479
85 2HB ARG 14 1HB ARG 14 4.947 6.169 -1.097
86 1HG ARG 14 2HG ARG 14 3.038 5.385 -2.134
87 2HG ARG 14 1HG ARG 14 2.322 4.836 -0.619
88 1HD ARG 14 2HD ARG 14 1.197 6.834 -1.455
89 2HD ARG 14 1HD ARG 14 2.005 7.152 0.079
90 HE ARG 14 HE ARG 14 3.293 8.699 -0.986
91 1HH1 ARG 14 1HH1 ARG 14 1.980 6.532 -3.384
92 2HH1 ARG 14 2HH1 ARG 14 2.608 7.432 -4.724
93 1HH2 ARG 14 1HH2 ARG 14 4.119 9.886 -2.746
94 2HH2 ARG 14 2HH2 ARG 14 3.823 9.337 -4.361
95 H LYS 15 H LYS 15 6.014 4.682 2.150
96 HA LYS 15 HA LYS 15 8.569 5.455 1.220
97 1HB LYS 15 2HB LYS 15 7.291 5.245 3.713
98 2HB LYS 15 1HB LYS 15 8.660 4.146 3.809
99 1HG LYS 15 2HG LYS 15 9.219 6.815 2.688
100 2HG LYS 15 1HG LYS 15 8.800 6.755 4.402
101 1HD LYS 15 2HD LYS 15 10.685 5.594 4.962
102 2HD LYS 15 1HD LYS 15 10.779 4.782 3.398
103 1HE LYS 15 2HE LYS 15 11.168 7.705 3.359
104 2HE LYS 15 1HE LYS 15 12.430 6.773 4.164
105 1HZ LYS 15 1HZ LYS 15 12.523 7.231 1.609
106 2HZ LYS 15 2HZ LYS 15 11.499 5.887 1.528
107 3HZ LYS 15 3HZ LYS 15 13.030 5.742 2.234
108 H GLN 16 H GLN 16 7.189 2.398 2.350
109 HA GLN 16 HA GLN 16 9.557 0.870 1.913
110 1HB GLN 16 2HB GLN 16 7.796 0.208 3.511
111 2HB GLN 16 1HB GLN 16 6.690 -0.051 2.170
112 1HG GLN 16 2HG GLN 16 8.764 -1.609 1.415
113 2HG GLN 16 1HG GLN 16 8.882 -1.727 3.170
114 1HE2 GLN 16 1HE2 GLN 16 7.636 -3.157 4.154
115 2HE2 GLN 16 2HE2 GLN 16 6.264 -3.948 3.463
116 H THR 17 H THR 17 6.400 0.731 0.237
117 HA THR 17 HA THR 17 7.446 -0.738 -1.949
118 HB THR 17 HB THR 17 5.103 -0.888 -1.184
119 HG1 THR 17 1HG THR 17 4.291 -1.112 -3.215
120 1HG2 THR 17 1HG2 THR 17 3.470 0.741 -1.755
121 2HG2 THR 17 2HG2 THR 17 4.674 1.748 -2.559
122 3HG2 THR 17 3HG2 THR 17 4.726 1.539 -0.808
123 H GLY 18 H GLY 18 6.336 2.609 -1.686
124 1HA GLY 18 2HA GLY 18 6.885 4.476 -2.894
125 2HA GLY 18 1HA GLY 18 8.270 3.606 -3.485
126 H CYS 19 H CYS 19 5.188 4.687 -4.099
127 HA CYS 19 HA CYS 19 5.080 4.929 -6.674
128 1HB CYS 19 2HB CYS 19 3.949 2.888 -7.579
129 2HB CYS 19 1HB CYS 19 5.676 2.826 -7.318
130 HA PRO 20 HA PRO 20 1.088 6.366 -5.463
131 1HB PRO 20 2HB PRO 20 0.365 6.236 -8.329
132 2HB PRO 20 1HB PRO 20 0.369 7.617 -7.227
133 1HG PRO 20 2HG PRO 20 2.233 7.359 -9.121
134 2HG PRO 20 1HG PRO 20 2.630 8.015 -7.521
135 1HD PRO 20 2HD PRO 20 3.137 5.281 -8.630
136 2HD PRO 20 1HD PRO 20 4.180 6.300 -7.615
137 H TYR 21 H TYR 21 1.504 3.390 -7.163
138 HA TYR 21 HA TYR 21 -1.197 2.661 -7.418
139 1HB TYR 21 2HB TYR 21 0.815 0.529 -7.083
140 2HB TYR 21 1HB TYR 21 -0.383 0.774 -8.328
141 HD1 TYR 21 1HD TYR 21 0.269 3.308 -9.518
142 HD2 TYR 21 2HD TYR 21 2.871 0.251 -8.109
143 HE1 TYR 21 1HE TYR 21 2.010 4.082 -11.074
144 HE2 TYR 21 2HE TYR 21 4.620 1.017 -9.660
145 HH TYR 21 HH TYR 21 4.763 3.855 -11.015
146 H GLY 22 H GLY 22 -2.181 0.793 -6.296
147 1HA GLY 22 2HA GLY 22 -1.408 -0.306 -3.900
148 2HA GLY 22 1HA GLY 22 -2.175 1.204 -3.464
149 H LYS 23 H LYS 23 -2.969 -1.709 -3.050
150 HA LYS 23 HA LYS 23 -5.548 -1.588 -4.441
151 1HB LYS 23 2HB LYS 23 -5.543 -4.079 -3.328
152 2HB LYS 23 1HB LYS 23 -5.052 -3.717 -4.974
153 1HG LYS 23 2HG LYS 23 -2.708 -3.437 -4.052
154 2HG LYS 23 1HG LYS 23 -3.321 -4.181 -2.574
155 1HD LYS 23 2HD LYS 23 -3.424 -5.407 -5.330
156 2HD LYS 23 1HD LYS 23 -2.267 -5.826 -4.064
157 1HE LYS 23 2HE LYS 23 -5.246 -6.038 -3.694
158 2HE LYS 23 1HE LYS 23 -4.264 -7.363 -4.317
159 1HZ LYS 23 1HZ LYS 23 -4.592 -7.579 -1.946
160 2HZ LYS 23 2HZ LYS 23 -3.932 -6.046 -1.676
161 3HZ LYS 23 3HZ LYS 23 -2.957 -7.292 -2.274
162 H CYS 24 H CYS 24 -5.014 0.054 -2.275
163 HA CYS 24 HA CYS 24 -5.981 -1.004 0.164
164 1HB CYS 24 2HB CYS 24 -5.677 1.130 1.019
165 2HB CYS 24 1HB CYS 24 -4.563 1.135 -0.337
166 H MET 25 H MET 25 -7.981 -1.344 0.854
167 HA MET 25 HA MET 25 -10.208 -0.288 -0.762
168 1HB MET 25 2HB MET 25 -9.666 -2.891 -0.348
169 2HB MET 25 1HB MET 25 -10.661 -2.581 1.067
170 1HG MET 25 2HG MET 25 -11.731 -1.571 -1.478
171 2HG MET 25 1HG MET 25 -11.625 -3.324 -1.333
172 1HE MET 25 1HE MET 25 -13.229 -4.538 1.256
173 2HE MET 25 2HE MET 25 -12.981 -4.673 -0.485
174 3HE MET 25 3HE MET 25 -14.589 -4.330 0.153
175 H ASN 26 H ASN 26 -11.941 0.661 0.239
176 HA ASN 26 HA ASN 26 -11.573 2.212 2.452
177 1HB ASN 26 2HB ASN 26 -14.208 1.947 2.684
178 2HB ASN 26 1HB ASN 26 -13.473 2.851 1.369
179 1HD2 ASN 26 1HD2 ASN 26 -13.852 2.231 -0.668
180 2HD2 ASN 26 2HD2 ASN 26 -14.724 0.812 -1.125
181 H ARG 27 H ARG 27 -11.337 1.890 4.521
182 HA ARG 27 HA ARG 27 -11.508 1.019 6.619
183 1HB ARG 27 2HB ARG 27 -13.923 0.317 5.510
184 2HB ARG 27 1HB ARG 27 -13.270 -1.242 5.996
185 1HG ARG 27 2HG ARG 27 -13.620 -0.837 8.158
186 2HG ARG 27 1HG ARG 27 -12.974 0.802 8.047
187 1HD ARG 27 2HD ARG 27 -15.028 1.711 7.480
188 2HD ARG 27 1HD ARG 27 -15.667 0.169 6.911
189 HE ARG 27 HE ARG 27 -15.872 1.209 9.529
190 1HH1 ARG 27 1HH1 ARG 27 -15.347 -1.788 7.821
191 2HH1 ARG 27 2HH1 ARG 27 -16.010 -2.769 9.084
192 1HH2 ARG 27 1HH2 ARG 27 -16.745 -0.079 11.192
193 2HH2 ARG 27 2HH2 ARG 27 -16.805 -1.799 10.998
194 H LYS 28 H LYS 28 -9.686 0.112 4.528
195 HA LYS 28 HA LYS 28 -8.173 -1.730 5.861
196 1HB LYS 28 2HB LYS 28 -10.417 -3.004 4.481
197 2HB LYS 28 1HB LYS 28 -8.858 -3.671 4.015
198 1HG LYS 28 2HG LYS 28 -9.360 -3.302 6.909
199 2HG LYS 28 1HG LYS 28 -10.250 -4.583 6.084
200 1HD LYS 28 2HD LYS 28 -7.929 -5.233 5.125
201 2HD LYS 28 1HD LYS 28 -7.295 -4.269 6.460
202 1HE LYS 28 2HE LYS 28 -8.800 -5.666 7.967
203 2HE LYS 28 1HE LYS 28 -8.998 -6.743 6.585
204 1HZ LYS 28 1HZ LYS 28 -6.379 -6.589 6.619
205 2HZ LYS 28 2HZ LYS 28 -7.217 -7.713 7.565
206 3HZ LYS 28 3HZ LYS 28 -6.651 -6.279 8.259
207 H CYS 29 H CYS 29 -6.638 -0.381 4.973
208 HA CYS 29 HA CYS 29 -6.302 0.000 2.199
209 1HB CYS 29 2HB CYS 29 -5.258 1.698 3.223
210 2HB CYS 29 1HB CYS 29 -4.977 0.773 4.674
211 H LYS 30 H LYS 30 -4.265 -0.596 1.050
212 HA LYS 30 HA LYS 30 -2.670 -2.764 1.782
213 1HB LYS 30 2HB LYS 30 -5.166 -3.706 1.377
214 2HB LYS 30 1HB LYS 30 -4.532 -3.821 -0.259
215 1HG LYS 30 2HG LYS 30 -2.693 -5.196 0.522
216 2HG LYS 30 1HG LYS 30 -3.261 -5.037 2.185
217 1HD LYS 30 2HD LYS 30 -5.154 -6.072 0.134
218 2HD LYS 30 1HD LYS 30 -3.873 -7.143 0.710
219 1HE LYS 30 2HE LYS 30 -5.392 -7.645 2.302
220 2HE LYS 30 1HE LYS 30 -4.762 -6.181 3.057
221 1HZ LYS 30 1HZ LYS 30 -6.945 -5.665 3.090
222 2HZ LYS 30 2HZ LYS 30 -7.332 -6.649 1.771
223 3HZ LYS 30 3HZ LYS 30 -6.634 -5.130 1.516
224 H CYS 31 H CYS 31 -1.105 -1.567 0.799
225 HA CYS 31 HA CYS 31 -0.913 -0.277 -1.585
226 1HB CYS 31 2HB CYS 31 0.998 -1.870 0.028
227 2HB CYS 31 1HB CYS 31 1.490 -1.428 -1.604
228 H ASN 32 H ASN 32 0.372 -0.920 -3.452
229 HA ASN 32 HA ASN 32 -0.941 -3.133 -4.798
230 1HB ASN 32 2HB ASN 32 -0.476 -0.664 -5.577
231 2HB ASN 32 1HB ASN 32 1.032 -1.365 -6.092
232 1HD2 ASN 32 1HD2 ASN 32 0.994 -1.801 -8.176
233 2HD2 ASN 32 2HD2 ASN 32 -0.343 -2.449 -9.057
234 H ARG 33 H ARG 33 0.585 -4.096 -6.573
235 HA ARG 33 HA ARG 33 2.766 -5.388 -5.131
236 1HB ARG 33 2HB ARG 33 1.161 -6.797 -6.385
237 2HB ARG 33 1HB ARG 33 1.626 -5.985 -7.873
238 1HG ARG 33 2HG ARG 33 2.695 -8.169 -7.643
239 2HG ARG 33 1HG ARG 33 3.876 -6.858 -7.683
240 1HD ARG 33 2HD ARG 33 2.910 -7.661 -5.013
241 2HD ARG 33 1HD ARG 33 3.906 -8.842 -5.864
242 HE ARG 33 HE ARG 33 4.770 -6.376 -4.697
243 1HH1 ARG 33 1HH1 ARG 33 5.430 -8.688 -7.227
244 2HH1 ARG 33 2HH1 ARG 33 7.109 -8.280 -7.333
245 1HH2 ARG 33 1HH2 ARG 33 6.979 -5.837 -4.836
246 2HH2 ARG 33 2HH2 ARG 33 7.989 -6.662 -5.977
247 H CYS 34 H CYS 34 4.099 -3.579 -5.071
248 HA CYS 34 HA CYS 34 5.156 -2.553 -7.574
249 1HB CYS 34 2HB CYS 34 4.605 -1.396 -5.183
250 2HB CYS 34 1HB CYS 34 6.347 -1.578 -5.111
Start of MODEL 13
1 1H VAL 1 1HT VAL 1 -13.791 3.518 -7.841
2 2H VAL 1 2HT VAL 1 -12.890 2.386 -8.765
3 3H VAL 1 3HT VAL 1 -12.503 4.056 -8.835
4 HA VAL 1 HA VAL 1 -12.264 2.294 -6.491
5 HB VAL 1 HB VAL 1 -9.828 2.766 -6.760
6 1HG1 VAL 1 1HG1 VAL 1 -11.312 0.807 -7.869
7 2HG1 VAL 1 2HG1 VAL 1 -9.554 0.883 -7.970
8 3HG1 VAL 1 3HG1 VAL 1 -10.540 1.471 -9.307
9 1HG2 VAL 1 1HG2 VAL 1 -10.283 4.799 -8.240
10 2HG2 VAL 1 2HG2 VAL 1 -10.473 3.644 -9.559
11 3HG2 VAL 1 3HG2 VAL 1 -8.940 3.750 -8.694
12 H SER 2 H SER 2 -11.786 3.275 -4.582
13 HA SER 2 HA SER 2 -11.079 6.067 -4.456
14 1HB SER 2 2HB SER 2 -13.158 6.311 -2.784
15 2HB SER 2 1HB SER 2 -13.284 6.685 -4.502
16 HG SER 2 HG SER 2 -14.961 5.332 -4.025
17 H CYS 3 H CYS 3 -9.653 6.250 -2.868
18 HA CYS 3 HA CYS 3 -9.992 4.626 -0.441
19 1HB CYS 3 2HB CYS 3 -7.514 4.885 -2.115
20 2HB CYS 3 1HB CYS 3 -7.433 4.460 -0.419
21 H THR 4 H THR 4 -8.055 5.349 1.056
22 HA THR 4 HA THR 4 -7.764 8.248 1.100
23 HB THR 4 HB THR 4 -9.835 7.836 2.351
24 HG1 THR 4 1HG THR 4 -7.612 8.518 3.972
25 1HG2 THR 4 1HG2 THR 4 -8.921 6.672 4.728
26 2HG2 THR 4 2HG2 THR 4 -8.400 5.610 3.420
27 3HG2 THR 4 3HG2 THR 4 -10.105 6.030 3.589
28 H GLY 5 H GLY 5 -5.633 7.179 0.510
29 1HA GLY 5 2HA GLY 5 -4.040 5.610 2.024
30 2HA GLY 5 1HA GLY 5 -3.423 7.006 1.158
31 H SER 6 H SER 6 -4.841 8.960 2.761
32 HA SER 6 HA SER 6 -4.391 10.278 4.566
33 1HB SER 6 2HB SER 6 -4.136 7.713 6.138
34 2HB SER 6 1HB SER 6 -4.725 9.278 6.696
35 HG SER 6 HG SER 6 -6.187 7.333 5.857
36 H LYS 7 H LYS 7 -2.788 9.740 6.870
37 HA LYS 7 HA LYS 7 -0.120 9.604 5.628
38 1HB LYS 7 2HB LYS 7 -0.765 11.139 8.137
39 2HB LYS 7 1HB LYS 7 0.663 11.268 7.120
40 1HG LYS 7 2HG LYS 7 -0.295 12.973 6.087
41 2HG LYS 7 1HG LYS 7 -1.503 11.856 5.451
42 1HD LYS 7 2HD LYS 7 -1.784 13.032 8.194
43 2HD LYS 7 1HD LYS 7 -2.301 13.930 6.765
44 1HE LYS 7 2HE LYS 7 -4.254 12.865 7.095
45 2HE LYS 7 1HE LYS 7 -3.442 11.520 6.292
46 1HZ LYS 7 1HZ LYS 7 -4.271 10.563 8.204
47 2HZ LYS 7 2HZ LYS 7 -3.962 11.920 9.164
48 3HZ LYS 7 3HZ LYS 7 -2.685 10.930 8.667
49 H ASP 8 H ASP 8 -1.968 7.605 7.152
50 HA ASP 8 HA ASP 8 0.125 6.702 9.002
51 1HB ASP 8 2HB ASP 8 -2.810 6.914 9.388
52 2HB ASP 8 1HB ASP 8 -2.000 5.523 10.104
53 H CYS 9 H CYS 9 -1.741 5.955 6.303
54 HA CYS 9 HA CYS 9 -1.088 3.112 6.551
55 1HB CYS 9 2HB CYS 9 -3.530 4.030 6.281
56 2HB CYS 9 1HB CYS 9 -3.080 4.036 4.589
57 H TYR 10 H TYR 10 -1.848 5.254 3.838
58 HA TYR 10 HA TYR 10 -0.221 3.940 2.000
59 1HB TYR 10 2HB TYR 10 -1.648 6.512 2.121
60 2HB TYR 10 1HB TYR 10 -0.271 6.489 1.025
61 HD1 TYR 10 1HD TYR 10 -1.388 6.593 -1.052
62 HD2 TYR 10 2HD TYR 10 -2.505 3.629 1.788
63 HE1 TYR 10 1HE TYR 10 -2.765 5.483 -2.761
64 HE2 TYR 10 2HE TYR 10 -3.884 2.510 0.087
65 HH TYR 10 HH TYR 10 -3.726 3.332 -3.240
66 H ALA 11 H ALA 11 0.639 6.052 4.564
67 HA ALA 11 HA ALA 11 3.050 7.064 3.427
68 1HB ALA 11 1HB ALA 11 1.780 7.114 6.095
69 2HB ALA 11 2HB ALA 11 2.466 8.426 5.137
70 3HB ALA 11 3HB ALA 11 3.528 7.346 6.040
71 HA PRO 12 HA PRO 12 5.395 3.850 6.250
72 1HB PRO 12 2HB PRO 12 3.718 1.751 7.021
73 2HB PRO 12 1HB PRO 12 4.288 3.054 8.065
74 1HG PRO 12 2HG PRO 12 1.686 2.772 6.633
75 2HG PRO 12 1HG PRO 12 2.020 3.450 8.237
76 1HD PRO 12 2HD PRO 12 1.521 5.033 6.141
77 2HD PRO 12 1HD PRO 12 2.728 5.486 7.364
78 H CYS 13 H CYS 13 2.824 3.106 4.037
79 HA CYS 13 HA CYS 13 4.159 0.732 3.046
80 1HB CYS 13 2HB CYS 13 1.518 1.555 3.169
81 2HB CYS 13 1HB CYS 13 1.929 1.581 1.465
82 H ARG 14 H ARG 14 3.192 3.930 1.820
83 HA ARG 14 HA ARG 14 4.113 3.705 -0.749
84 1HB ARG 14 2HB ARG 14 2.905 5.676 -0.078
85 2HB ARG 14 1HB ARG 14 4.160 6.115 1.073
86 1HG ARG 14 2HG ARG 14 5.505 7.000 -0.521
87 2HG ARG 14 1HG ARG 14 4.970 5.864 -1.761
88 1HD ARG 14 2HD ARG 14 3.876 7.653 -2.577
89 2HD ARG 14 1HD ARG 14 2.688 7.248 -1.339
90 HE ARG 14 HE ARG 14 3.279 9.141 -0.194
91 1HH1 ARG 14 1HH1 ARG 14 5.701 8.478 -2.617
92 2HH1 ARG 14 2HH1 ARG 14 6.526 9.983 -2.385
93 1HH2 ARG 14 1HH2 ARG 14 4.363 11.122 0.113
94 2HH2 ARG 14 2HH2 ARG 14 5.767 11.484 -0.835
95 H LYS 15 H LYS 15 5.932 4.248 2.196
96 HA LYS 15 HA LYS 15 8.398 4.927 1.042
97 1HB LYS 15 2HB LYS 15 7.434 4.060 3.638
98 2HB LYS 15 1HB LYS 15 8.989 3.328 3.270
99 1HG LYS 15 2HG LYS 15 8.501 6.278 3.005
100 2HG LYS 15 1HG LYS 15 9.024 5.530 4.517
101 1HD LYS 15 2HD LYS 15 10.573 4.781 2.126
102 2HD LYS 15 1HD LYS 15 10.714 6.467 2.625
103 1HE LYS 15 2HE LYS 15 10.969 5.234 5.010
104 2HE LYS 15 1HE LYS 15 11.659 4.006 3.948
105 1HZ LYS 15 1HZ LYS 15 13.060 6.022 4.949
106 2HZ LYS 15 2HZ LYS 15 12.556 6.734 3.500
107 3HZ LYS 15 3HZ LYS 15 13.431 5.287 3.471
108 H GLN 16 H GLN 16 6.974 1.793 1.875
109 HA GLN 16 HA GLN 16 9.136 0.243 0.860
110 1HB GLN 16 2HB GLN 16 7.093 -0.308 2.510
111 2HB GLN 16 1HB GLN 16 6.426 -0.949 1.014
112 1HG GLN 16 2HG GLN 16 9.199 -1.722 1.678
113 2HG GLN 16 1HG GLN 16 7.916 -2.394 2.683
114 1HE2 GLN 16 1HE2 GLN 16 5.991 -3.196 1.308
115 2HE2 GLN 16 2HE2 GLN 16 6.415 -4.186 -0.043
116 H THR 17 H THR 17 5.789 0.603 -0.357
117 HA THR 17 HA THR 17 6.384 -0.601 -2.851
118 HB THR 17 HB THR 17 4.144 -0.617 -1.788
119 HG1 THR 17 1HG THR 17 3.075 -0.494 -3.696
120 1HG2 THR 17 1HG2 THR 17 4.112 1.756 -1.063
121 2HG2 THR 17 2HG2 THR 17 2.665 1.237 -1.925
122 3HG2 THR 17 3HG2 THR 17 3.878 2.217 -2.749
123 H GLY 18 H GLY 18 5.714 2.755 -1.964
124 1HA GLY 18 2HA GLY 18 6.235 4.735 -2.989
125 2HA GLY 18 1HA GLY 18 7.590 3.898 -3.689
126 H CYS 19 H CYS 19 4.500 5.083 -4.124
127 HA CYS 19 HA CYS 19 4.395 5.759 -6.618
128 1HB CYS 19 2HB CYS 19 3.274 3.882 -7.858
129 2HB CYS 19 1HB CYS 19 5.008 3.838 -7.645
130 HA PRO 20 HA PRO 20 0.307 6.873 -5.517
131 1HB PRO 20 2HB PRO 20 -0.945 6.992 -7.949
132 2HB PRO 20 1HB PRO 20 0.162 8.230 -7.344
133 1HG PRO 20 2HG PRO 20 0.693 5.978 -9.243
134 2HG PRO 20 1HG PRO 20 1.235 7.665 -9.327
135 1HD PRO 20 2HD PRO 20 2.863 5.702 -8.485
136 2HD PRO 20 1HD PRO 20 2.927 7.330 -7.780
137 H TYR 21 H TYR 21 0.787 3.898 -7.240
138 HA TYR 21 HA TYR 21 -1.887 3.028 -7.288
139 1HB TYR 21 2HB TYR 21 0.247 1.002 -7.115
140 2HB TYR 21 1HB TYR 21 -1.045 1.191 -8.272
141 HD1 TYR 21 1HD TYR 21 2.253 0.853 -8.255
142 HD2 TYR 21 2HD TYR 21 -0.615 3.731 -9.516
143 HE1 TYR 21 1HE TYR 21 3.850 1.708 -9.918
144 HE2 TYR 21 2HE TYR 21 0.974 4.593 -11.183
145 HH TYR 21 HH TYR 21 4.283 3.695 -11.205
146 H GLY 22 H GLY 22 -2.680 1.116 -6.074
147 1HA GLY 22 2HA GLY 22 -1.511 0.430 -3.570
148 2HA GLY 22 1HA GLY 22 -2.826 1.550 -3.352
149 H LYS 23 H LYS 23 -2.610 -1.234 -2.452
150 HA LYS 23 HA LYS 23 -4.645 -2.547 -4.088
151 1HB LYS 23 2HB LYS 23 -2.383 -3.579 -3.013
152 2HB LYS 23 1HB LYS 23 -3.533 -3.953 -1.737
153 1HG LYS 23 2HG LYS 23 -4.938 -4.798 -3.855
154 2HG LYS 23 1HG LYS 23 -3.301 -5.050 -4.463
155 1HD LYS 23 2HD LYS 23 -4.199 -6.037 -1.766
156 2HD LYS 23 1HD LYS 23 -4.373 -6.999 -3.235
157 1HE LYS 23 2HE LYS 23 -2.104 -7.285 -3.480
158 2HE LYS 23 1HE LYS 23 -1.717 -5.810 -2.594
159 1HZ LYS 23 1HZ LYS 23 -1.266 -8.042 -1.471
160 2HZ LYS 23 2HZ LYS 23 -2.939 -8.124 -1.229
161 3HZ LYS 23 3HZ LYS 23 -2.050 -6.850 -0.561
162 H CYS 24 H CYS 24 -4.860 -0.289 -1.989
163 HA CYS 24 HA CYS 24 -6.264 -1.212 0.235
164 1HB CYS 24 2HB CYS 24 -5.729 0.964 0.575
165 2HB CYS 24 1HB CYS 24 -5.849 1.369 -1.128
166 H MET 25 H MET 25 -8.122 -2.206 0.385
167 HA MET 25 HA MET 25 -10.258 -1.626 -1.565
168 1HB MET 25 2HB MET 25 -8.981 -3.950 -1.678
169 2HB MET 25 1HB MET 25 -10.043 -4.339 -0.331
170 1HG MET 25 2HG MET 25 -11.828 -3.304 -2.058
171 2HG MET 25 1HG MET 25 -10.653 -3.978 -3.185
172 1HE MET 25 1HE MET 25 -9.604 -6.101 -2.886
173 2HE MET 25 2HE MET 25 -10.705 -7.461 -3.109
174 3HE MET 25 3HE MET 25 -9.943 -7.193 -1.542
175 H ASN 26 H ASN 26 -12.353 -1.568 -0.728
176 HA ASN 26 HA ASN 26 -13.892 -1.110 1.002
177 1HB ASN 26 2HB ASN 26 -12.246 -2.978 2.676
178 2HB ASN 26 1HB ASN 26 -13.978 -2.671 2.759
179 1HD2 ASN 26 1HD2 ASN 26 -12.446 -5.171 2.453
180 2HD2 ASN 26 2HD2 ASN 26 -13.069 -5.920 1.027
181 H ARG 27 H ARG 27 -13.695 -0.886 3.482
182 HA ARG 27 HA ARG 27 -12.300 1.550 3.868
183 1HB ARG 27 2HB ARG 27 -14.452 0.299 5.142
184 2HB ARG 27 1HB ARG 27 -13.182 0.353 6.358
185 1HG ARG 27 2HG ARG 27 -13.258 2.886 5.101
186 2HG ARG 27 1HG ARG 27 -14.916 2.431 5.491
187 1HD ARG 27 2HD ARG 27 -12.683 2.201 7.487
188 2HD ARG 27 1HD ARG 27 -13.594 3.695 7.271
189 HE ARG 27 HE ARG 27 -14.445 1.372 8.664
190 1HH1 ARG 27 1HH1 ARG 27 -15.613 3.966 6.643
191 2HH1 ARG 27 2HH1 ARG 27 -17.220 3.913 7.288
192 1HH2 ARG 27 1HH2 ARG 27 -16.557 1.302 9.515
193 2HH2 ARG 27 2HH2 ARG 27 -17.755 2.401 8.919
194 H LYS 28 H LYS 28 -11.135 -1.221 3.466
195 HA LYS 28 HA LYS 28 -9.098 -1.104 5.607
196 1HB LYS 28 2HB LYS 28 -10.603 -3.248 4.923
197 2HB LYS 28 1HB LYS 28 -9.216 -3.495 3.870
198 1HG LYS 28 2HG LYS 28 -8.822 -2.944 6.781
199 2HG LYS 28 1HG LYS 28 -9.233 -4.565 6.219
200 1HD LYS 28 2HD LYS 28 -7.267 -4.699 4.894
201 2HD LYS 28 1HD LYS 28 -6.933 -2.978 5.098
202 1HE LYS 28 2HE LYS 28 -6.703 -3.444 7.570
203 2HE LYS 28 1HE LYS 28 -6.746 -5.159 7.165
204 1HZ LYS 28 1HZ LYS 28 -4.781 -3.248 6.029
205 2HZ LYS 28 2HZ LYS 28 -4.770 -4.933 5.884
206 3HZ LYS 28 3HZ LYS 28 -4.478 -4.212 7.386
207 H CYS 29 H CYS 29 -7.494 0.176 4.848
208 HA CYS 29 HA CYS 29 -6.751 0.345 2.134
209 1HB CYS 29 2HB CYS 29 -6.112 2.259 3.115
210 2HB CYS 29 1HB CYS 29 -5.943 1.511 4.682
211 H LYS 30 H LYS 30 -4.514 -0.052 1.365
212 HA LYS 30 HA LYS 30 -2.683 -1.770 2.481
213 1HB LYS 30 2HB LYS 30 -5.060 -3.161 1.493
214 2HB LYS 30 1HB LYS 30 -3.567 -3.765 0.786
215 1HG LYS 30 2HG LYS 30 -2.847 -4.657 2.728
216 2HG LYS 30 1HG LYS 30 -3.555 -3.372 3.709
217 1HD LYS 30 2HD LYS 30 -5.508 -4.473 3.973
218 2HD LYS 30 1HD LYS 30 -5.485 -5.113 2.328
219 1HE LYS 30 2HE LYS 30 -3.764 -6.131 4.584
220 2HE LYS 30 1HE LYS 30 -5.292 -6.859 4.088
221 1HZ LYS 30 1HZ LYS 30 -4.369 -7.756 2.256
222 2HZ LYS 30 2HZ LYS 30 -2.935 -7.624 3.143
223 3HZ LYS 30 3HZ LYS 30 -3.324 -6.452 1.987
224 H CYS 31 H CYS 31 -1.446 -0.304 1.352
225 HA CYS 31 HA CYS 31 -1.334 0.521 -1.211
226 1HB CYS 31 2HB CYS 31 0.984 0.834 -0.974
227 2HB CYS 31 1HB CYS 31 0.337 0.933 0.657
228 H ASN 32 H ASN 32 0.074 -0.071 -2.963
229 HA ASN 32 HA ASN 32 -0.527 -2.766 -3.834
230 1HB ASN 32 2HB ASN 32 -0.744 -0.476 -5.084
231 2HB ASN 32 1HB ASN 32 0.927 -0.786 -5.473
232 1HD2 ASN 32 1HD2 ASN 32 1.150 -1.639 -7.409
233 2HD2 ASN 32 2HD2 ASN 32 0.088 -2.784 -8.146
234 H ARG 33 H ARG 33 1.232 -3.625 -5.417
235 HA ARG 33 HA ARG 33 3.755 -3.764 -3.907
236 1HB ARG 33 2HB ARG 33 2.152 -5.837 -4.567
237 2HB ARG 33 1HB ARG 33 3.168 -5.784 -6.001
238 1HG ARG 33 2HG ARG 33 4.227 -5.944 -3.189
239 2HG ARG 33 1HG ARG 33 3.964 -7.339 -4.238
240 1HD ARG 33 2HD ARG 33 5.683 -5.011 -5.052
241 2HD ARG 33 1HD ARG 33 6.323 -6.383 -4.148
242 HE ARG 33 HE ARG 33 5.656 -6.310 -6.930
243 1HH1 ARG 33 1HH1 ARG 33 5.923 -8.389 -4.140
244 2HH1 ARG 33 2HH1 ARG 33 6.179 -9.823 -5.077
245 1HH2 ARG 33 1HH2 ARG 33 5.994 -8.194 -8.164
246 2HH2 ARG 33 2HH2 ARG 33 6.221 -9.712 -7.361
247 H CYS 34 H CYS 34 4.755 -2.004 -4.818
248 HA CYS 34 HA CYS 34 4.912 -1.617 -7.633
249 1HB CYS 34 2HB CYS 34 5.294 -0.106 -5.367
250 2HB CYS 34 1HB CYS 34 6.876 -0.207 -6.096
Start of MODEL 14
1 1H VAL 1 1HT VAL 1 -3.408 3.753 -9.729
2 2H VAL 1 2HT VAL 1 -5.100 3.577 -9.959
3 3H VAL 1 3HT VAL 1 -4.268 2.550 -8.863
4 HA VAL 1 HA VAL 1 -3.786 4.353 -7.443
5 HB VAL 1 HB VAL 1 -4.805 6.577 -7.891
6 1HG1 VAL 1 1HG1 VAL 1 -3.102 7.323 -9.467
7 2HG1 VAL 1 2HG1 VAL 1 -2.822 5.657 -9.970
8 3HG1 VAL 1 3HG1 VAL 1 -2.432 6.159 -8.325
9 1HG2 VAL 1 1HG2 VAL 1 -5.152 5.619 -10.725
10 2HG2 VAL 1 2HG2 VAL 1 -5.643 7.165 -10.034
11 3HG2 VAL 1 3HG2 VAL 1 -6.471 5.682 -9.556
12 H SER 2 H SER 2 -5.127 4.537 -5.718
13 HA SER 2 HA SER 2 -7.966 4.654 -5.936
14 1HB SER 2 2HB SER 2 -6.912 2.086 -6.155
15 2HB SER 2 1HB SER 2 -7.413 2.202 -4.468
16 HG SER 2 HG SER 2 -9.465 2.463 -5.074
17 H CYS 3 H CYS 3 -8.926 5.244 -4.041
18 HA CYS 3 HA CYS 3 -8.984 6.381 -2.060
19 1HB CYS 3 2HB CYS 3 -7.976 4.915 -0.136
20 2HB CYS 3 1HB CYS 3 -9.420 4.398 -0.992
21 H THR 4 H THR 4 -7.628 6.861 0.028
22 HA THR 4 HA THR 4 -4.955 7.746 -0.841
23 HB THR 4 HB THR 4 -6.569 9.623 -0.787
24 HG1 THR 4 1HG THR 4 -4.468 9.585 1.097
25 1HG2 THR 4 1HG2 THR 4 -6.783 10.130 1.958
26 2HG2 THR 4 2HG2 THR 4 -7.336 8.473 1.715
27 3HG2 THR 4 3HG2 THR 4 -8.081 9.793 0.811
28 H GLY 5 H GLY 5 -5.922 5.401 0.765
29 1HA GLY 5 2HA GLY 5 -5.219 4.217 2.598
30 2HA GLY 5 1HA GLY 5 -3.851 5.319 2.649
31 H SER 6 H SER 6 -5.159 4.192 4.910
32 HA SER 6 HA SER 6 -7.026 5.897 6.112
33 1HB SER 6 2HB SER 6 -5.013 4.539 7.839
34 2HB SER 6 1HB SER 6 -6.769 4.599 7.990
35 HG SER 6 HG SER 6 -6.735 3.217 6.026
36 H LYS 7 H LYS 7 -5.947 6.619 8.573
37 HA LYS 7 HA LYS 7 -4.974 9.170 8.095
38 1HB LYS 7 2HB LYS 7 -4.453 9.272 10.468
39 2HB LYS 7 1HB LYS 7 -5.991 8.455 10.220
40 1HG LYS 7 2HG LYS 7 -4.205 6.376 10.212
41 2HG LYS 7 1HG LYS 7 -3.517 7.478 11.407
42 1HD LYS 7 2HD LYS 7 -4.945 6.454 12.816
43 2HD LYS 7 1HD LYS 7 -6.139 7.539 12.099
44 1HE LYS 7 2HE LYS 7 -6.174 5.504 10.318
45 2HE LYS 7 1HE LYS 7 -5.792 4.629 11.800
46 1HZ LYS 7 1HZ LYS 7 -7.818 5.031 12.663
47 2HZ LYS 7 2HZ LYS 7 -8.268 5.203 11.042
48 3HZ LYS 7 3HZ LYS 7 -7.946 6.574 11.979
49 H ASP 8 H ASP 8 -3.276 6.157 8.199
50 HA ASP 8 HA ASP 8 -0.887 7.351 7.207
51 1HB ASP 8 2HB ASP 8 -1.039 7.502 9.913
52 2HB ASP 8 1HB ASP 8 -0.256 5.939 9.718
53 H CYS 9 H CYS 9 -2.215 5.569 5.912
54 HA CYS 9 HA CYS 9 -1.055 2.941 6.472
55 1HB CYS 9 2HB CYS 9 -3.606 3.412 6.116
56 2HB CYS 9 1HB CYS 9 -3.151 3.319 4.429
57 H TYR 10 H TYR 10 -2.073 4.653 3.564
58 HA TYR 10 HA TYR 10 -0.469 3.395 1.732
59 1HB TYR 10 2HB TYR 10 -2.096 5.704 1.801
60 2HB TYR 10 1HB TYR 10 -0.559 6.206 1.112
61 HD1 TYR 10 1HD TYR 10 -3.693 4.677 0.466
62 HD2 TYR 10 2HD TYR 10 0.351 4.778 -0.847
63 HE1 TYR 10 1HE TYR 10 -4.386 3.773 -1.713
64 HE2 TYR 10 2HE TYR 10 -0.330 3.872 -3.030
65 HH TYR 10 HH TYR 10 -3.131 3.975 -4.269
66 H ALA 11 H ALA 11 0.445 5.743 4.128
67 HA ALA 11 HA ALA 11 2.890 6.546 2.923
68 1HB ALA 11 1HB ALA 11 1.581 6.946 5.539
69 2HB ALA 11 2HB ALA 11 2.293 8.117 4.429
70 3HB ALA 11 3HB ALA 11 3.331 7.157 5.483
71 HA PRO 12 HA PRO 12 5.102 3.758 6.345
72 1HB PRO 12 2HB PRO 12 3.349 1.579 6.840
73 2HB PRO 12 1HB PRO 12 3.865 2.822 7.983
74 1HG PRO 12 2HG PRO 12 1.375 2.639 6.379
75 2HG PRO 12 1HG PRO 12 1.640 3.366 7.969
76 1HD PRO 12 2HD PRO 12 1.306 4.888 5.798
77 2HD PRO 12 1HD PRO 12 2.464 5.347 7.066
78 H CYS 13 H CYS 13 2.876 2.613 3.892
79 HA CYS 13 HA CYS 13 4.704 0.466 3.169
80 1HB CYS 13 2HB CYS 13 1.951 0.694 3.113
81 2HB CYS 13 1HB CYS 13 2.447 0.695 1.432
82 H ARG 14 H ARG 14 3.161 3.281 1.617
83 HA ARG 14 HA ARG 14 4.183 3.049 -0.896
84 1HB ARG 14 2HB ARG 14 2.673 4.849 -0.384
85 2HB ARG 14 1HB ARG 14 3.823 5.565 0.738
86 1HG ARG 14 2HG ARG 14 5.346 5.969 -1.190
87 2HG ARG 14 1HG ARG 14 4.060 5.404 -2.259
88 1HD ARG 14 2HD ARG 14 2.616 7.186 -1.056
89 2HD ARG 14 1HD ARG 14 4.164 7.867 -0.558
90 HE ARG 14 HE ARG 14 4.175 7.413 -3.340
91 1HH1 ARG 14 1HH1 ARG 14 2.770 9.530 -0.947
92 2HH1 ARG 14 2HH1 ARG 14 2.605 10.862 -2.041
93 1HH2 ARG 14 1HH2 ARG 14 3.958 9.163 -4.780
94 2HH2 ARG 14 2HH2 ARG 14 3.278 10.654 -4.217
95 H LYS 15 H LYS 15 5.878 3.943 2.000
96 HA LYS 15 HA LYS 15 8.212 4.983 0.800
97 1HB LYS 15 2HB LYS 15 7.372 4.135 3.446
98 2HB LYS 15 1HB LYS 15 9.030 3.646 3.125
99 1HG LYS 15 2HG LYS 15 9.133 5.764 4.159
100 2HG LYS 15 1HG LYS 15 9.491 6.023 2.450
101 1HD LYS 15 2HD LYS 15 6.966 6.506 2.226
102 2HD LYS 15 1HD LYS 15 7.000 6.693 3.981
103 1HE LYS 15 2HE LYS 15 9.121 8.213 3.284
104 2HE LYS 15 1HE LYS 15 8.097 8.425 1.863
105 1HZ LYS 15 1HZ LYS 15 7.785 10.058 3.745
106 2HZ LYS 15 2HZ LYS 15 7.067 8.796 4.612
107 3HZ LYS 15 3HZ LYS 15 6.380 9.319 3.158
108 H GLN 16 H GLN 16 7.393 1.724 1.937
109 HA GLN 16 HA GLN 16 9.765 0.512 0.938
110 1HB GLN 16 2HB GLN 16 7.205 -0.448 2.120
111 2HB GLN 16 1HB GLN 16 8.190 -1.603 1.232
112 1HG GLN 16 2HG GLN 16 9.073 0.034 3.599
113 2HG GLN 16 1HG GLN 16 8.675 -1.684 3.606
114 1HE2 GLN 16 1HE2 GLN 16 9.912 -2.737 1.542
115 2HE2 GLN 16 2HE2 GLN 16 11.621 -2.487 1.612
116 H THR 17 H THR 17 6.364 0.327 -0.172
117 HA THR 17 HA THR 17 7.020 -1.106 -2.531
118 HB THR 17 HB THR 17 4.831 -1.394 -1.694
119 HG1 THR 17 1HG THR 17 3.862 -1.236 -3.553
120 1HG2 THR 17 1HG2 THR 17 3.528 1.070 -2.101
121 2HG2 THR 17 2HG2 THR 17 4.940 1.373 -1.090
122 3HG2 THR 17 3HG2 THR 17 3.744 0.176 -0.596
123 H GLY 18 H GLY 18 7.404 2.168 -1.766
124 1HA GLY 18 2HA GLY 18 8.060 3.943 -3.082
125 2HA GLY 18 1HA GLY 18 8.310 2.790 -4.366
126 H CYS 19 H CYS 19 6.949 2.688 -5.944
127 HA CYS 19 HA CYS 19 5.500 4.460 -7.065
128 1HB CYS 19 2HB CYS 19 3.854 2.753 -7.852
129 2HB CYS 19 1HB CYS 19 5.558 2.460 -8.130
130 HA PRO 20 HA PRO 20 2.246 5.994 -4.462
131 1HB PRO 20 2HB PRO 20 0.863 6.802 -6.930
132 2HB PRO 20 1HB PRO 20 1.479 7.796 -5.609
133 1HG PRO 20 2HG PRO 20 2.666 7.759 -8.014
134 2HG PRO 20 1HG PRO 20 3.599 7.920 -6.514
135 1HD PRO 20 2HD PRO 20 3.179 5.505 -8.236
136 2HD PRO 20 1HD PRO 20 4.656 6.074 -7.430
137 H TYR 21 H TYR 21 1.788 3.451 -6.676
138 HA TYR 21 HA TYR 21 -1.010 3.220 -6.580
139 1HB TYR 21 2HB TYR 21 0.645 0.784 -6.915
140 2HB TYR 21 1HB TYR 21 -0.706 1.376 -7.844
141 HD1 TYR 21 1HD TYR 21 2.275 0.321 -8.520
142 HD2 TYR 21 2HD TYR 21 0.232 4.050 -8.658
143 HE1 TYR 21 1HE TYR 21 3.798 1.084 -10.294
144 HE2 TYR 21 2HE TYR 21 1.751 4.824 -10.431
145 HH TYR 21 HH TYR 21 3.979 4.337 -11.290
146 H GLY 22 H GLY 22 -2.127 1.319 -5.618
147 1HA GLY 22 2HA GLY 22 -1.016 0.043 -3.310
148 2HA GLY 22 1HA GLY 22 -2.105 1.340 -2.872
149 H LYS 23 H LYS 23 -2.418 -1.521 -2.365
150 HA LYS 23 HA LYS 23 -4.632 -2.233 -4.123
151 1HB LYS 23 2HB LYS 23 -2.657 -3.774 -3.017
152 2HB LYS 23 1HB LYS 23 -3.992 -4.059 -1.908
153 1HG LYS 23 2HG LYS 23 -5.319 -4.423 -4.163
154 2HG LYS 23 1HG LYS 23 -3.703 -4.797 -4.765
155 1HD LYS 23 2HD LYS 23 -4.703 -6.045 -2.235
156 2HD LYS 23 1HD LYS 23 -5.175 -6.705 -3.801
157 1HE LYS 23 2HE LYS 23 -3.293 -7.924 -3.537
158 2HE LYS 23 1HE LYS 23 -2.528 -6.473 -4.183
159 1HZ LYS 23 1HZ LYS 23 -1.651 -5.931 -2.183
160 2HZ LYS 23 2HZ LYS 23 -1.746 -7.602 -1.940
161 3HZ LYS 23 3HZ LYS 23 -2.935 -6.586 -1.296
162 H CYS 24 H CYS 24 -4.400 -0.220 -1.721
163 HA CYS 24 HA CYS 24 -6.096 -0.999 0.326
164 1HB CYS 24 2HB CYS 24 -5.138 0.969 0.901
165 2HB CYS 24 1HB CYS 24 -5.073 1.540 -0.757
166 H MET 25 H MET 25 -8.214 -1.219 0.565
167 HA MET 25 HA MET 25 -10.109 -0.018 -1.276
168 1HB MET 25 2HB MET 25 -9.430 -2.913 -1.295
169 2HB MET 25 1HB MET 25 -11.136 -2.497 -1.380
170 1HG MET 25 2HG MET 25 -10.977 -1.686 -3.472
171 2HG MET 25 1HG MET 25 -9.367 -1.016 -3.207
172 1HE MET 25 1HE MET 25 -11.220 -4.585 -3.547
173 2HE MET 25 2HE MET 25 -10.134 -4.588 -2.158
174 3HE MET 25 3HE MET 25 -9.761 -5.576 -3.571
175 H ASN 26 H ASN 26 -12.187 0.116 -0.406
176 HA ASN 26 HA ASN 26 -13.665 0.288 1.425
177 1HB ASN 26 2HB ASN 26 -12.409 -2.258 2.397
178 2HB ASN 26 1HB ASN 26 -14.065 -1.699 2.618
179 1HD2 ASN 26 1HD2 ASN 26 -15.570 -2.111 1.077
180 2HD2 ASN 26 2HD2 ASN 26 -15.269 -3.077 -0.325
181 H ARG 27 H ARG 27 -13.507 -0.298 3.846
182 HA ARG 27 HA ARG 27 -11.715 1.616 4.927
183 1HB ARG 27 2HB ARG 27 -14.003 0.113 5.907
184 2HB ARG 27 1HB ARG 27 -12.717 0.199 7.105
185 1HG ARG 27 2HG ARG 27 -12.903 2.784 6.134
186 2HG ARG 27 1HG ARG 27 -14.577 2.234 6.229
187 1HD ARG 27 2HD ARG 27 -13.844 1.367 8.586
188 2HD ARG 27 1HD ARG 27 -12.553 2.553 8.401
189 HE ARG 27 HE ARG 27 -15.167 3.620 7.878
190 1HH1 ARG 27 1HH1 ARG 27 -12.827 2.898 10.366
191 2HH1 ARG 27 2HH1 ARG 27 -13.449 4.079 11.468
192 1HH2 ARG 27 1HH2 ARG 27 -15.986 5.173 9.328
193 2HH2 ARG 27 2HH2 ARG 27 -15.243 5.371 10.880
194 H LYS 28 H LYS 28 -11.048 -1.058 3.668
195 HA LYS 28 HA LYS 28 -9.031 -1.886 5.670
196 1HB LYS 28 2HB LYS 28 -10.964 -3.503 4.752
197 2HB LYS 28 1HB LYS 28 -9.772 -3.757 3.484
198 1HG LYS 28 2HG LYS 28 -8.950 -3.970 6.343
199 2HG LYS 28 1HG LYS 28 -9.815 -5.302 5.573
200 1HD LYS 28 2HD LYS 28 -8.013 -4.953 3.690
201 2HD LYS 28 1HD LYS 28 -7.097 -4.216 5.005
202 1HE LYS 28 2HE LYS 28 -6.482 -6.513 4.916
203 2HE LYS 28 1HE LYS 28 -7.506 -6.299 6.336
204 1HZ LYS 28 1HZ LYS 28 -8.016 -7.781 3.885
205 2HZ LYS 28 2HZ LYS 28 -9.335 -6.946 4.535
206 3HZ LYS 28 3HZ LYS 28 -8.521 -8.099 5.468
207 H CYS 29 H CYS 29 -7.412 -0.529 4.986
208 HA CYS 29 HA CYS 29 -6.664 -0.202 2.285
209 1HB CYS 29 2HB CYS 29 -5.886 1.573 3.421
210 2HB CYS 29 1HB CYS 29 -5.718 0.676 4.910
211 H LYS 30 H LYS 30 -4.483 -0.721 1.461
212 HA LYS 30 HA LYS 30 -2.849 -2.718 2.487
213 1HB LYS 30 2HB LYS 30 -3.523 -4.567 0.824
214 2HB LYS 30 1HB LYS 30 -4.472 -4.379 2.291
215 1HG LYS 30 2HG LYS 30 -5.577 -2.749 0.218
216 2HG LYS 30 1HG LYS 30 -5.376 -4.401 -0.364
217 1HD LYS 30 2HD LYS 30 -6.530 -4.039 2.345
218 2HD LYS 30 1HD LYS 30 -7.543 -3.602 0.968
219 1HE LYS 30 2HE LYS 30 -6.135 -6.251 1.218
220 2HE LYS 30 1HE LYS 30 -7.782 -5.972 1.781
221 1HZ LYS 30 1HZ LYS 30 -8.572 -5.777 -0.339
222 2HZ LYS 30 2HZ LYS 30 -7.331 -6.896 -0.598
223 3HZ LYS 30 3HZ LYS 30 -7.092 -5.267 -0.983
224 H CYS 31 H CYS 31 -1.328 -1.351 1.670
225 HA CYS 31 HA CYS 31 -0.917 -0.118 -0.686
226 1HB CYS 31 2HB CYS 31 1.553 -0.846 -0.400
227 2HB CYS 31 1HB CYS 31 0.792 0.120 0.859
228 H ASN 32 H ASN 32 0.540 -0.606 -2.435
229 HA ASN 32 HA ASN 32 -0.405 -2.912 -3.886
230 1HB ASN 32 2HB ASN 32 0.011 -0.443 -4.659
231 2HB ASN 32 1HB ASN 32 1.628 -1.038 -4.924
232 1HD2 ASN 32 1HD2 ASN 32 -1.713 -2.039 -5.539
233 2HD2 ASN 32 2HD2 ASN 32 -1.436 -2.585 -7.155
234 H ARG 33 H ARG 33 1.356 -3.831 -5.437
235 HA ARG 33 HA ARG 33 3.667 -4.661 -3.806
236 1HB ARG 33 2HB ARG 33 1.950 -6.457 -4.242
237 2HB ARG 33 1HB ARG 33 2.315 -6.305 -5.954
238 1HG ARG 33 2HG ARG 33 3.513 -8.176 -5.073
239 2HG ARG 33 1HG ARG 33 4.669 -6.898 -5.457
240 1HD ARG 33 2HD ARG 33 5.217 -6.555 -3.287
241 2HD ARG 33 1HD ARG 33 3.585 -6.896 -2.711
242 HE ARG 33 HE ARG 33 4.220 -9.057 -2.351
243 1HH1 ARG 33 1HH1 ARG 33 6.488 -7.600 -4.567
244 2HH1 ARG 33 2HH1 ARG 33 7.550 -8.968 -4.576
245 1HH2 ARG 33 1HH2 ARG 33 5.614 -10.858 -2.361
246 2HH2 ARG 33 2HH2 ARG 33 7.054 -10.818 -3.324
247 H CYS 34 H CYS 34 4.994 -3.062 -4.606
248 HA CYS 34 HA CYS 34 5.356 -2.658 -7.411
249 1HB CYS 34 2HB CYS 34 5.821 -1.218 -5.130
250 2HB CYS 34 1HB CYS 34 7.427 -1.604 -5.707
Start of MODEL 15
1 1H VAL 1 1HT VAL 1 -9.532 0.682 -6.896
2 2H VAL 1 2HT VAL 1 -10.288 -0.476 -5.880
3 3H VAL 1 3HT VAL 1 -8.591 -0.236 -5.795
4 HA VAL 1 HA VAL 1 -10.529 1.893 -5.240
5 HB VAL 1 HB VAL 1 -9.978 1.383 -2.807
6 1HG1 VAL 1 1HG1 VAL 1 -12.154 0.912 -4.016
7 2HG1 VAL 1 2HG1 VAL 1 -11.848 -0.038 -2.563
8 3HG1 VAL 1 3HG1 VAL 1 -11.606 -0.757 -4.155
9 1HG2 VAL 1 1HG2 VAL 1 -9.325 -0.860 -2.232
10 2HG2 VAL 1 2HG2 VAL 1 -8.116 -0.178 -3.321
11 3HG2 VAL 1 3HG2 VAL 1 -9.302 -1.333 -3.932
12 H SER 2 H SER 2 -9.571 3.760 -4.591
13 HA SER 2 HA SER 2 -6.632 3.806 -4.669
14 1HB SER 2 2HB SER 2 -7.059 6.338 -5.003
15 2HB SER 2 1HB SER 2 -7.407 5.253 -6.348
16 HG SER 2 HG SER 2 -9.142 6.702 -4.728
17 H CYS 3 H CYS 3 -5.455 4.652 -3.014
18 HA CYS 3 HA CYS 3 -6.817 4.960 -0.479
19 1HB CYS 3 2HB CYS 3 -3.863 5.272 -1.000
20 2HB CYS 3 1HB CYS 3 -4.656 4.892 0.519
21 H THR 4 H THR 4 -5.884 6.756 1.001
22 HA THR 4 HA THR 4 -5.325 9.251 -0.357
23 HB THR 4 HB THR 4 -7.720 9.255 -0.531
24 HG1 THR 4 1HG THR 4 -7.036 10.858 1.702
25 1HG2 THR 4 1HG2 THR 4 -8.719 9.409 2.046
26 2HG2 THR 4 2HG2 THR 4 -7.639 8.015 2.070
27 3HG2 THR 4 3HG2 THR 4 -8.952 8.095 0.895
28 H GLY 5 H GLY 5 -3.515 8.207 1.172
29 1HA GLY 5 2HA GLY 5 -2.187 8.541 3.020
30 2HA GLY 5 1HA GLY 5 -3.040 10.065 3.206
31 H SER 6 H SER 6 -4.902 10.144 4.550
32 HA SER 6 HA SER 6 -6.140 9.654 6.388
33 1HB SER 6 2HB SER 6 -7.257 7.801 5.783
34 2HB SER 6 1HB SER 6 -5.852 7.110 4.996
35 HG SER 6 HG SER 6 -6.802 5.984 6.886
36 H LYS 7 H LYS 7 -5.365 6.999 7.809
37 HA LYS 7 HA LYS 7 -4.060 8.069 9.999
38 1HB LYS 7 2HB LYS 7 -3.670 5.794 10.731
39 2HB LYS 7 1HB LYS 7 -5.261 5.916 9.993
40 1HG LYS 7 2HG LYS 7 -3.391 5.207 7.972
41 2HG LYS 7 1HG LYS 7 -3.150 4.143 9.359
42 1HD LYS 7 2HD LYS 7 -5.793 4.672 8.000
43 2HD LYS 7 1HD LYS 7 -4.791 3.239 7.761
44 1HE LYS 7 2HE LYS 7 -5.419 3.870 10.561
45 2HE LYS 7 1HE LYS 7 -6.807 3.427 9.568
46 1HZ LYS 7 1HZ LYS 7 -6.166 1.364 10.154
47 2HZ LYS 7 2HZ LYS 7 -4.559 1.805 10.444
48 3HZ LYS 7 3HZ LYS 7 -5.088 1.535 8.860
49 H ASP 8 H ASP 8 -2.693 7.161 6.982
50 HA ASP 8 HA ASP 8 -0.565 7.843 6.272
51 1HB ASP 8 2HB ASP 8 -0.218 8.860 8.630
52 2HB ASP 8 1HB ASP 8 0.572 7.333 9.006
53 H CYS 9 H CYS 9 -1.737 5.450 5.952
54 HA CYS 9 HA CYS 9 0.110 3.334 6.690
55 1HB CYS 9 2HB CYS 9 -2.421 3.095 6.627
56 2HB CYS 9 1HB CYS 9 -2.262 3.124 4.894
57 H TYR 10 H TYR 10 -1.454 4.283 3.736
58 HA TYR 10 HA TYR 10 0.193 3.034 1.914
59 1HB TYR 10 2HB TYR 10 -0.797 5.651 1.003
60 2HB TYR 10 1HB TYR 10 -1.091 4.044 0.348
61 HD1 TYR 10 1HD TYR 10 -2.578 6.780 1.949
62 HD2 TYR 10 2HD TYR 10 -2.665 2.530 1.863
63 HE1 TYR 10 1HE TYR 10 -4.835 6.811 2.929
64 HE2 TYR 10 2HE TYR 10 -4.921 2.550 2.841
65 HH TYR 10 HH TYR 10 -6.351 3.990 4.140
66 H ALA 11 H ALA 11 0.856 5.873 3.779
67 HA ALA 11 HA ALA 11 2.860 6.926 2.039
68 1HB ALA 11 1HB ALA 11 3.513 7.978 4.457
69 2HB ALA 11 2HB ALA 11 1.809 7.587 4.696
70 3HB ALA 11 3HB ALA 11 2.295 8.643 3.369
71 HA PRO 12 HA PRO 12 6.226 5.200 5.113
72 1HB PRO 12 2HB PRO 12 5.091 3.175 6.715
73 2HB PRO 12 1HB PRO 12 5.637 4.761 7.263
74 1HG PRO 12 2HG PRO 12 2.892 3.827 6.598
75 2HG PRO 12 1HG PRO 12 3.419 5.003 7.816
76 1HD PRO 12 2HD PRO 12 2.255 5.788 5.536
77 2HD PRO 12 1HD PRO 12 3.579 6.725 6.263
78 H CYS 13 H CYS 13 3.491 3.420 3.937
79 HA CYS 13 HA CYS 13 4.845 1.001 3.291
80 1HB CYS 13 2HB CYS 13 2.327 1.461 3.621
81 2HB CYS 13 1HB CYS 13 2.379 1.993 1.965
82 H ARG 14 H ARG 14 3.397 3.495 1.271
83 HA ARG 14 HA ARG 14 4.335 2.738 -1.167
84 1HB ARG 14 2HB ARG 14 2.839 4.624 -0.958
85 2HB ARG 14 1HB ARG 14 4.059 5.552 -0.097
86 1HG ARG 14 2HG ARG 14 5.451 5.550 -2.134
87 2HG ARG 14 1HG ARG 14 4.157 4.704 -2.984
88 1HD ARG 14 2HD ARG 14 3.733 6.896 -3.557
89 2HD ARG 14 1HD ARG 14 2.689 6.688 -2.152
90 HE ARG 14 HE ARG 14 3.981 8.196 -1.007
91 1HH1 ARG 14 1HH1 ARG 14 5.683 7.194 -3.884
92 2HH1 ARG 14 2HH1 ARG 14 6.934 8.378 -3.707
93 1HH2 ARG 14 1HH2 ARG 14 5.625 9.754 -0.774
94 2HH2 ARG 14 2HH2 ARG 14 6.902 9.831 -1.942
95 H LYS 15 H LYS 15 6.101 4.287 1.394
96 HA LYS 15 HA LYS 15 8.423 4.960 -0.056
97 1HB LYS 15 2HB LYS 15 7.632 4.769 2.730
98 2HB LYS 15 1HB LYS 15 9.271 4.174 2.502
99 1HG LYS 15 2HG LYS 15 9.311 6.520 3.051
100 2HG LYS 15 1HG LYS 15 9.864 6.284 1.391
101 1HD LYS 15 2HD LYS 15 8.426 8.033 1.074
102 2HD LYS 15 1HD LYS 15 7.306 6.686 0.859
103 1HE LYS 15 2HE LYS 15 6.331 6.997 2.936
104 2HE LYS 15 1HE LYS 15 7.730 7.857 3.577
105 1HZ LYS 15 1HZ LYS 15 7.075 9.810 2.643
106 2HZ LYS 15 2HZ LYS 15 5.553 9.117 2.891
107 3HZ LYS 15 3HZ LYS 15 6.261 9.074 1.356
108 H GLN 16 H GLN 16 7.552 2.055 1.812
109 HA GLN 16 HA GLN 16 9.884 0.593 1.056
110 1HB GLN 16 2HB GLN 16 8.142 0.293 3.046
111 2HB GLN 16 1HB GLN 16 7.408 -0.823 1.903
112 1HG GLN 16 2HG GLN 16 9.050 -2.338 2.118
113 2HG GLN 16 1HG GLN 16 10.311 -1.112 2.256
114 1HE2 GLN 16 1HE2 GLN 16 7.415 -1.967 4.128
115 2HE2 GLN 16 2HE2 GLN 16 8.220 -2.058 5.653
116 H THR 17 H THR 17 6.453 0.194 0.144
117 HA THR 17 HA THR 17 6.985 -1.718 -1.869
118 HB THR 17 HB THR 17 4.844 -1.501 -0.622
119 HG1 THR 17 1HG THR 17 4.272 -2.644 -2.271
120 1HG2 THR 17 1HG2 THR 17 4.175 0.672 -0.490
121 2HG2 THR 17 2HG2 THR 17 3.206 0.121 -1.856
122 3HG2 THR 17 3HG2 THR 17 4.680 1.047 -2.137
123 H GLY 18 H GLY 18 7.572 1.583 -1.928
124 1HA GLY 18 2HA GLY 18 8.104 2.996 -3.677
125 2HA GLY 18 1HA GLY 18 8.173 1.568 -4.686
126 H CYS 19 H CYS 19 6.772 1.470 -6.251
127 HA CYS 19 HA CYS 19 5.105 2.958 -7.396
128 1HB CYS 19 2HB CYS 19 4.200 0.409 -6.566
129 2HB CYS 19 1HB CYS 19 3.469 1.385 -7.781
130 HA PRO 20 HA PRO 20 2.814 5.289 -4.315
131 1HB PRO 20 2HB PRO 20 1.437 6.090 -6.843
132 2HB PRO 20 1HB PRO 20 1.989 7.092 -5.495
133 1HG PRO 20 2HG PRO 20 3.393 6.992 -7.741
134 2HG PRO 20 1HG PRO 20 4.212 7.004 -6.168
135 1HD PRO 20 2HD PRO 20 3.792 4.749 -8.070
136 2HD PRO 20 1HD PRO 20 5.155 5.070 -6.983
137 H TYR 21 H TYR 21 1.456 3.077 -6.669
138 HA TYR 21 HA TYR 21 -1.216 3.274 -5.829
139 1HB TYR 21 2HB TYR 21 -0.160 0.749 -6.988
140 2HB TYR 21 1HB TYR 21 -1.612 1.641 -7.349
141 HD1 TYR 21 1HD TYR 21 1.672 0.908 -8.443
142 HD2 TYR 21 2HD TYR 21 -1.368 3.881 -8.597
143 HE1 TYR 21 1HE TYR 21 2.731 1.884 -10.438
144 HE2 TYR 21 2HE TYR 21 -0.318 4.861 -10.593
145 HH TYR 21 HH TYR 21 1.345 3.751 -12.530
146 H GLY 22 H GLY 22 -2.419 1.392 -4.934
147 1HA GLY 22 2HA GLY 22 -1.016 -0.353 -3.105
148 2HA GLY 22 1HA GLY 22 -1.946 0.905 -2.322
149 H LYS 23 H LYS 23 -2.419 -1.962 -2.107
150 HA LYS 23 HA LYS 23 -4.880 -2.292 -3.644
151 1HB LYS 23 2HB LYS 23 -2.907 -4.100 -2.931
152 2HB LYS 23 1HB LYS 23 -4.208 -4.460 -1.805
153 1HG LYS 23 2HG LYS 23 -5.751 -4.741 -3.684
154 2HG LYS 23 1HG LYS 23 -4.435 -4.395 -4.808
155 1HD LYS 23 2HD LYS 23 -3.219 -6.352 -3.999
156 2HD LYS 23 1HD LYS 23 -4.511 -6.688 -2.847
157 1HE LYS 23 2HE LYS 23 -5.129 -8.094 -4.535
158 2HE LYS 23 1HE LYS 23 -5.994 -6.640 -5.030
159 1HZ LYS 23 1HZ LYS 23 -4.695 -7.800 -6.814
160 2HZ LYS 23 2HZ LYS 23 -3.283 -7.311 -6.021
161 3HZ LYS 23 3HZ LYS 23 -4.354 -6.152 -6.632
162 H CYS 24 H CYS 24 -4.115 -0.677 -1.061
163 HA CYS 24 HA CYS 24 -5.569 -1.517 1.119
164 1HB CYS 24 2HB CYS 24 -5.116 0.549 1.968
165 2HB CYS 24 1HB CYS 24 -4.021 0.593 0.596
166 H MET 25 H MET 25 -7.670 -1.669 1.619
167 HA MET 25 HA MET 25 -9.626 -0.542 -0.281
168 1HB MET 25 2HB MET 25 -9.411 -3.092 -0.084
169 2HB MET 25 1HB MET 25 -10.132 -2.913 1.509
170 1HG MET 25 2HG MET 25 -11.992 -1.628 0.247
171 2HG MET 25 1HG MET 25 -11.342 -2.436 -1.178
172 1HE MET 25 1HE MET 25 -13.065 -3.829 -1.965
173 2HE MET 25 2HE MET 25 -13.489 -5.386 -1.254
174 3HE MET 25 3HE MET 25 -11.824 -5.059 -1.732
175 H ASN 26 H ASN 26 -11.391 0.537 0.510
176 HA ASN 26 HA ASN 26 -11.253 2.159 2.650
177 1HB ASN 26 2HB ASN 26 -13.957 0.996 2.319
178 2HB ASN 26 1HB ASN 26 -13.456 2.678 2.360
179 1HD2 ASN 26 1HD2 ASN 26 -12.407 3.532 0.437
180 2HD2 ASN 26 2HD2 ASN 26 -12.873 2.922 -1.110
181 H ARG 27 H ARG 27 -10.996 1.918 4.736
182 HA ARG 27 HA ARG 27 -11.229 1.174 6.882
183 1HB ARG 27 2HB ARG 27 -13.614 0.396 5.759
184 2HB ARG 27 1HB ARG 27 -12.961 -1.132 6.335
185 1HG ARG 27 2HG ARG 27 -13.358 -0.622 8.468
186 2HG ARG 27 1HG ARG 27 -12.723 1.014 8.287
187 1HD ARG 27 2HD ARG 27 -14.996 1.281 8.835
188 2HD ARG 27 1HD ARG 27 -14.894 1.568 7.098
189 HE ARG 27 HE ARG 27 -15.521 -1.151 7.786
190 1HH1 ARG 27 1HH1 ARG 27 -16.838 2.027 7.198
191 2HH1 ARG 27 2HH1 ARG 27 -18.407 1.434 6.769
192 1HH2 ARG 27 1HH2 ARG 27 -17.584 -1.932 7.221
193 2HH2 ARG 27 2HH2 ARG 27 -18.832 -0.814 6.782
194 H LYS 28 H LYS 28 -9.304 0.199 4.941
195 HA LYS 28 HA LYS 28 -8.024 -1.767 6.470
196 1HB LYS 28 2HB LYS 28 -10.061 -2.968 5.196
197 2HB LYS 28 1HB LYS 28 -8.841 -3.075 3.934
198 1HG LYS 28 2HG LYS 28 -8.004 -3.891 6.645
199 2HG LYS 28 1HG LYS 28 -9.167 -4.933 5.824
200 1HD LYS 28 2HD LYS 28 -6.779 -4.007 4.309
201 2HD LYS 28 1HD LYS 28 -6.562 -5.265 5.528
202 1HE LYS 28 2HE LYS 28 -8.727 -5.481 3.469
203 2HE LYS 28 1HE LYS 28 -7.073 -5.950 3.084
204 1HZ LYS 28 1HZ LYS 28 -8.802 -7.086 5.211
205 2HZ LYS 28 2HZ LYS 28 -7.159 -7.448 5.042
206 3HZ LYS 28 3HZ LYS 28 -8.247 -7.869 3.818
207 H CYS 29 H CYS 29 -5.957 -2.171 5.770
208 HA CYS 29 HA CYS 29 -5.102 -0.668 3.444
209 1HB CYS 29 2HB CYS 29 -4.267 -0.221 5.869
210 2HB CYS 29 1HB CYS 29 -3.195 -1.552 5.511
211 H LYS 30 H LYS 30 -3.293 -1.484 2.231
212 HA LYS 30 HA LYS 30 -2.056 -3.885 2.391
213 1HB LYS 30 2HB LYS 30 -3.493 -5.224 0.660
214 2HB LYS 30 1HB LYS 30 -3.892 -5.284 2.370
215 1HG LYS 30 2HG LYS 30 -5.790 -4.014 2.111
216 2HG LYS 30 1HG LYS 30 -5.204 -3.254 0.634
217 1HD LYS 30 2HD LYS 30 -5.781 -5.055 -0.685
218 2HD LYS 30 1HD LYS 30 -5.710 -6.193 0.661
219 1HE LYS 30 2HE LYS 30 -7.710 -4.595 1.495
220 2HE LYS 30 1HE LYS 30 -7.916 -4.458 -0.249
221 1HZ LYS 30 1HZ LYS 30 -9.188 -6.284 0.216
222 2HZ LYS 30 2HZ LYS 30 -8.189 -6.820 1.472
223 3HZ LYS 30 3HZ LYS 30 -7.714 -7.035 -0.137
224 H CYS 31 H CYS 31 -0.684 -2.364 1.490
225 HA CYS 31 HA CYS 31 -0.654 -0.933 -0.789
226 1HB CYS 31 2HB CYS 31 1.372 -2.452 0.695
227 2HB CYS 31 1HB CYS 31 1.798 -2.110 -0.978
228 H ASN 32 H ASN 32 0.471 -1.315 -2.793
229 HA ASN 32 HA ASN 32 -0.717 -3.554 -4.240
230 1HB ASN 32 2HB ASN 32 -0.692 -0.936 -4.733
231 2HB ASN 32 1HB ASN 32 0.776 -1.394 -5.553
232 1HD2 ASN 32 1HD2 ASN 32 0.081 -1.084 -7.622
233 2HD2 ASN 32 2HD2 ASN 32 -1.179 -2.005 -8.360
234 H ARG 33 H ARG 33 0.836 -3.699 -6.353
235 HA ARG 33 HA ARG 33 3.009 -5.331 -5.552
236 1HB ARG 33 2HB ARG 33 3.278 -5.924 -7.743
237 2HB ARG 33 1HB ARG 33 1.571 -5.508 -7.676
238 1HG ARG 33 2HG ARG 33 3.837 -3.939 -8.816
239 2HG ARG 33 1HG ARG 33 2.357 -4.487 -9.610
240 1HD ARG 33 2HD ARG 33 1.058 -2.882 -8.562
241 2HD ARG 33 1HD ARG 33 2.240 -2.644 -7.275
242 HE ARG 33 HE ARG 33 3.215 -1.031 -8.568
243 1HH1 ARG 33 1HH1 ARG 33 1.338 -3.115 -10.645
244 2HH1 ARG 33 2HH1 ARG 33 1.647 -2.184 -12.071
245 1HH2 ARG 33 1HH2 ARG 33 3.629 0.192 -10.449
246 2HH2 ARG 33 2HH2 ARG 33 2.946 -0.306 -11.960
247 H CYS 34 H CYS 34 5.038 -5.026 -6.858
248 HA CYS 34 HA CYS 34 7.079 -4.114 -6.819
249 1HB CYS 34 2HB CYS 34 6.606 -2.957 -8.605
250 2HB CYS 34 1HB CYS 34 5.075 -2.427 -7.976
Start of MODEL 16
1 1H VAL 1 1HT VAL 1 -10.555 1.162 -6.645
2 2H VAL 1 2HT VAL 1 -9.862 0.505 -5.219
3 3H VAL 1 3HT VAL 1 -9.917 -0.428 -6.658
4 HA VAL 1 HA VAL 1 -7.737 0.463 -6.184
5 HB VAL 1 HB VAL 1 -7.399 1.524 -8.433
6 1HG1 VAL 1 1HG1 VAL 1 -7.541 -0.487 -9.530
7 2HG1 VAL 1 2HG1 VAL 1 -9.111 -0.883 -8.829
8 3HG1 VAL 1 3HG1 VAL 1 -7.649 -1.021 -7.852
9 1HG2 VAL 1 1HG2 VAL 1 -9.119 2.065 -9.840
10 2HG2 VAL 1 2HG2 VAL 1 -9.869 2.442 -8.288
11 3HG2 VAL 1 3HG2 VAL 1 -10.234 0.918 -9.098
12 H SER 2 H SER 2 -6.446 2.157 -5.660
13 HA SER 2 HA SER 2 -5.829 4.219 -4.927
14 1HB SER 2 2HB SER 2 -8.107 5.326 -6.575
15 2HB SER 2 1HB SER 2 -6.621 6.147 -6.099
16 HG SER 2 HG SER 2 -7.062 4.273 -8.110
17 H CYS 3 H CYS 3 -6.146 4.887 -2.919
18 HA CYS 3 HA CYS 3 -8.888 5.452 -2.024
19 1HB CYS 3 2HB CYS 3 -7.856 4.578 0.287
20 2HB CYS 3 1HB CYS 3 -8.699 3.520 -0.835
21 H THR 4 H THR 4 -8.763 6.554 0.225
22 HA THR 4 HA THR 4 -6.466 8.188 0.731
23 HB THR 4 HB THR 4 -8.798 9.904 0.125
24 HG1 THR 4 1HG THR 4 -7.201 8.886 -1.980
25 1HG2 THR 4 1HG2 THR 4 -6.869 11.172 -1.052
26 2HG2 THR 4 2HG2 THR 4 -5.835 10.089 -0.120
27 3HG2 THR 4 3HG2 THR 4 -6.966 11.159 0.708
28 H GLY 5 H GLY 5 -8.256 6.353 2.134
29 1HA GLY 5 2HA GLY 5 -9.586 8.134 4.054
30 2HA GLY 5 1HA GLY 5 -9.842 6.402 3.914
31 H SER 6 H SER 6 -6.922 5.905 3.767
32 HA SER 6 HA SER 6 -6.441 5.392 6.476
33 1HB SER 6 2HB SER 6 -4.277 5.680 4.389
34 2HB SER 6 1HB SER 6 -4.284 4.638 5.811
35 HG SER 6 HG SER 6 -6.082 3.529 4.799
36 H LYS 7 H LYS 7 -3.816 6.213 6.951
37 HA LYS 7 HA LYS 7 -3.741 9.103 6.796
38 1HB LYS 7 2HB LYS 7 -3.745 9.536 9.135
39 2HB LYS 7 1HB LYS 7 -5.157 8.548 8.798
40 1HG LYS 7 2HG LYS 7 -2.573 7.400 9.818
41 2HG LYS 7 1HG LYS 7 -3.861 7.971 10.877
42 1HD LYS 7 2HD LYS 7 -4.086 5.787 8.807
43 2HD LYS 7 1HD LYS 7 -4.028 5.569 10.556
44 1HE LYS 7 2HE LYS 7 -6.201 6.845 8.914
45 2HE LYS 7 1HE LYS 7 -6.308 5.406 9.926
46 1HZ LYS 7 1HZ LYS 7 -5.728 6.970 11.828
47 2HZ LYS 7 2HZ LYS 7 -7.287 7.085 11.180
48 3HZ LYS 7 3HZ LYS 7 -6.114 8.232 10.767
49 H ASP 8 H ASP 8 -2.274 6.132 8.035
50 HA ASP 8 HA ASP 8 0.350 7.236 7.340
51 1HB ASP 8 2HB ASP 8 -0.172 7.379 9.856
52 2HB ASP 8 1HB ASP 8 -0.027 5.624 9.856
53 H CYS 9 H CYS 9 -1.168 5.493 5.789
54 HA CYS 9 HA CYS 9 0.113 2.891 6.179
55 1HB CYS 9 2HB CYS 9 -2.462 3.288 5.840
56 2HB CYS 9 1HB CYS 9 -1.991 3.279 4.153
57 H TYR 10 H TYR 10 -0.978 4.750 3.384
58 HA TYR 10 HA TYR 10 0.715 3.662 1.506
59 1HB TYR 10 2HB TYR 10 -0.812 6.176 1.760
60 2HB TYR 10 1HB TYR 10 0.516 6.221 0.605
61 HD1 TYR 10 1HD TYR 10 -2.745 6.115 0.467
62 HD2 TYR 10 2HD TYR 10 0.468 3.496 -0.483
63 HE1 TYR 10 1HE TYR 10 -4.161 4.994 -1.201
64 HE2 TYR 10 2HE TYR 10 -0.936 2.368 -2.153
65 HH TYR 10 HH TYR 10 -2.953 2.931 -3.549
66 H ALA 11 H ALA 11 1.465 5.916 4.032
67 HA ALA 11 HA ALA 11 3.839 6.956 2.854
68 1HB ALA 11 1HB ALA 11 3.186 8.408 4.456
69 2HB ALA 11 2HB ALA 11 4.265 7.433 5.455
70 3HB ALA 11 3HB ALA 11 2.527 7.141 5.491
71 HA PRO 12 HA PRO 12 6.339 4.101 5.929
72 1HB PRO 12 2HB PRO 12 4.756 1.937 6.756
73 2HB PRO 12 1HB PRO 12 5.261 3.300 7.757
74 1HG PRO 12 2HG PRO 12 2.684 2.848 6.331
75 2HG PRO 12 1HG PRO 12 2.984 3.622 7.897
76 1HD PRO 12 2HD PRO 12 2.421 5.074 5.724
77 2HD PRO 12 1HD PRO 12 3.612 5.637 6.918
78 H CYS 13 H CYS 13 3.868 3.075 3.721
79 HA CYS 13 HA CYS 13 5.334 0.731 2.867
80 1HB CYS 13 2HB CYS 13 2.703 1.318 2.963
81 2HB CYS 13 1HB CYS 13 3.058 1.611 1.275
82 H ARG 14 H ARG 14 4.161 3.742 1.385
83 HA ARG 14 HA ARG 14 5.208 3.418 -1.115
84 1HB ARG 14 2HB ARG 14 3.814 5.321 -0.596
85 2HB ARG 14 1HB ARG 14 5.025 5.963 0.504
86 1HG ARG 14 2HG ARG 14 6.557 6.144 -1.500
87 2HG ARG 14 1HG ARG 14 5.137 5.809 -2.492
88 1HD ARG 14 2HD ARG 14 5.527 8.117 -0.593
89 2HD ARG 14 1HD ARG 14 5.460 8.191 -2.353
90 HE ARG 14 HE ARG 14 3.239 8.040 -0.537
91 1HH1 ARG 14 1HH1 ARG 14 4.317 7.395 -3.792
92 2HH1 ARG 14 2HH1 ARG 14 2.724 7.464 -4.467
93 1HH2 ARG 14 1HH2 ARG 14 1.143 8.131 -1.422
94 2HH2 ARG 14 2HH2 ARG 14 0.922 7.883 -3.122
95 H LYS 15 H LYS 15 6.886 4.283 1.820
96 HA LYS 15 HA LYS 15 9.327 5.088 0.682
97 1HB LYS 15 2HB LYS 15 8.348 4.343 3.311
98 2HB LYS 15 1HB LYS 15 9.962 3.701 3.040
99 1HG LYS 15 2HG LYS 15 10.151 5.839 4.088
100 2HG LYS 15 1HG LYS 15 10.711 5.981 2.421
101 1HD LYS 15 2HD LYS 15 8.958 7.298 1.801
102 2HD LYS 15 1HD LYS 15 7.847 6.544 2.948
103 1HE LYS 15 2HE LYS 15 10.115 8.213 3.946
104 2HE LYS 15 1HE LYS 15 8.658 8.993 3.331
105 1HZ LYS 15 1HZ LYS 15 8.584 8.641 5.736
106 2HZ LYS 15 2HZ LYS 15 8.720 6.971 5.507
107 3HZ LYS 15 3HZ LYS 15 7.352 7.792 4.946
108 H GLN 16 H GLN 16 8.128 1.924 1.742
109 HA GLN 16 HA GLN 16 10.423 0.484 0.859
110 1HB GLN 16 2HB GLN 16 7.717 -0.210 1.887
111 2HB GLN 16 1HB GLN 16 8.600 -1.450 1.007
112 1HG GLN 16 2HG GLN 16 8.914 -1.572 3.445
113 2HG GLN 16 1HG GLN 16 10.422 -1.336 2.562
114 1HE2 GLN 16 1HE2 GLN 16 11.617 0.458 2.925
115 2HE2 GLN 16 2HE2 GLN 16 11.214 1.674 4.083
116 H THR 17 H THR 17 7.065 0.457 -0.378
117 HA THR 17 HA THR 17 7.780 -0.836 -2.794
118 HB THR 17 HB THR 17 5.280 0.499 -3.058
119 HG1 THR 17 1HG THR 17 4.718 0.697 -1.059
120 1HG2 THR 17 1HG2 THR 17 5.412 -2.308 -2.123
121 2HG2 THR 17 2HG2 THR 17 6.124 -1.912 -3.687
122 3HG2 THR 17 3HG2 THR 17 4.420 -1.576 -3.383
123 H GLY 18 H GLY 18 6.521 2.419 -2.228
124 1HA GLY 18 2HA GLY 18 7.020 4.413 -3.253
125 2HA GLY 18 1HA GLY 18 8.286 3.603 -4.125
126 H CYS 19 H CYS 19 5.161 4.733 -4.160
127 HA CYS 19 HA CYS 19 4.664 5.209 -6.659
128 1HB CYS 19 2HB CYS 19 3.391 3.256 -7.561
129 2HB CYS 19 1HB CYS 19 5.138 3.163 -7.557
130 HA PRO 20 HA PRO 20 0.954 6.541 -4.650
131 1HB PRO 20 2HB PRO 20 -0.176 6.743 -7.383
132 2HB PRO 20 1HB PRO 20 -0.024 7.978 -6.130
133 1HG PRO 20 2HG PRO 20 1.568 7.993 -8.269
134 2HG PRO 20 1HG PRO 20 2.182 8.439 -6.665
135 1HD PRO 20 2HD PRO 20 2.529 5.887 -8.188
136 2HD PRO 20 1HD PRO 20 3.697 6.770 -7.182
137 H TYR 21 H TYR 21 1.035 3.812 -6.778
138 HA TYR 21 HA TYR 21 -1.683 3.107 -6.663
139 1HB TYR 21 2HB TYR 21 0.324 0.964 -6.969
140 2HB TYR 21 1HB TYR 21 -1.066 1.366 -7.946
141 HD1 TYR 21 1HD TYR 21 -0.587 4.043 -8.877
142 HD2 TYR 21 2HD TYR 21 2.170 0.846 -8.354
143 HE1 TYR 21 1HE TYR 21 0.878 5.034 -10.585
144 HE2 TYR 21 2HE TYR 21 3.644 1.829 -10.059
145 HH TYR 21 HH TYR 21 4.057 4.142 -11.025
146 H GLY 22 H GLY 22 -2.487 1.093 -5.658
147 1HA GLY 22 2HA GLY 22 -1.252 -0.195 -3.499
148 2HA GLY 22 1HA GLY 22 -2.189 1.134 -2.855
149 H LYS 23 H LYS 23 -2.648 -1.698 -2.390
150 HA LYS 23 HA LYS 23 -5.121 -2.149 -3.886
151 1HB LYS 23 2HB LYS 23 -3.086 -3.885 -3.085
152 2HB LYS 23 1HB LYS 23 -4.424 -4.248 -2.005
153 1HG LYS 23 2HG LYS 23 -5.141 -3.995 -4.843
154 2HG LYS 23 1HG LYS 23 -4.087 -5.353 -4.442
155 1HD LYS 23 2HD LYS 23 -6.343 -4.969 -2.604
156 2HD LYS 23 1HD LYS 23 -6.804 -5.383 -4.257
157 1HE LYS 23 2HE LYS 23 -5.935 -7.468 -4.119
158 2HE LYS 23 1HE LYS 23 -4.596 -6.957 -3.092
159 1HZ LYS 23 1HZ LYS 23 -6.653 -8.401 -2.223
160 2HZ LYS 23 2HZ LYS 23 -7.230 -6.849 -1.877
161 3HZ LYS 23 3HZ LYS 23 -5.757 -7.368 -1.227
162 H CYS 24 H CYS 24 -4.266 -0.510 -1.271
163 HA CYS 24 HA CYS 24 -5.734 -1.354 0.888
164 1HB CYS 24 2HB CYS 24 -4.738 0.479 1.666
165 2HB CYS 24 1HB CYS 24 -4.427 1.050 0.035
166 H MET 25 H MET 25 -7.779 -1.842 1.106
167 HA MET 25 HA MET 25 -9.779 -0.503 -0.585
168 1HB MET 25 2HB MET 25 -9.693 -3.196 0.751
169 2HB MET 25 1HB MET 25 -11.226 -2.480 0.274
170 1HG MET 25 2HG MET 25 -8.992 -2.740 -1.693
171 2HG MET 25 1HG MET 25 -10.040 -4.110 -1.329
172 1HE MET 25 1HE MET 25 -11.409 -4.730 -2.917
173 2HE MET 25 2HE MET 25 -10.754 -3.871 -4.311
174 3HE MET 25 3HE MET 25 -12.479 -3.784 -3.952
175 H ASN 26 H ASN 26 -11.609 0.385 0.320
176 HA ASN 26 HA ASN 26 -11.409 1.824 2.627
177 1HB ASN 26 2HB ASN 26 -14.134 0.788 2.098
178 2HB ASN 26 1HB ASN 26 -13.594 2.436 2.370
179 1HD2 ASN 26 1HD2 ASN 26 -12.892 3.672 0.649
180 2HD2 ASN 26 2HD2 ASN 26 -13.168 3.216 -0.994
181 H ARG 27 H ARG 27 -11.206 1.335 4.670
182 HA ARG 27 HA ARG 27 -11.516 0.370 6.712
183 1HB ARG 27 2HB ARG 27 -13.890 -0.205 5.460
184 2HB ARG 27 1HB ARG 27 -13.297 -1.807 5.878
185 1HG ARG 27 2HG ARG 27 -13.731 -1.523 8.045
186 2HG ARG 27 1HG ARG 27 -13.049 0.103 8.060
187 1HD ARG 27 2HD ARG 27 -15.325 0.379 8.584
188 2HD ARG 27 1HD ARG 27 -15.174 0.847 6.891
189 HE ARG 27 HE ARG 27 -15.890 -1.911 7.268
190 1HH1 ARG 27 1HH1 ARG 27 -17.107 1.350 7.000
191 2HH1 ARG 27 2HH1 ARG 27 -18.681 0.852 6.477
192 1HH2 ARG 27 1HH2 ARG 27 -17.961 -2.566 6.580
193 2HH2 ARG 27 2HH2 ARG 27 -19.167 -1.370 6.239
194 H LYS 28 H LYS 28 -9.583 -0.467 4.701
195 HA LYS 28 HA LYS 28 -8.314 -2.531 6.051
196 1HB LYS 28 2HB LYS 28 -10.460 -3.584 4.662
197 2HB LYS 28 1HB LYS 28 -9.107 -3.874 3.578
198 1HG LYS 28 2HG LYS 28 -9.394 -5.786 4.981
199 2HG LYS 28 1HG LYS 28 -7.904 -4.964 5.451
200 1HD LYS 28 2HD LYS 28 -8.904 -5.434 7.494
201 2HD LYS 28 1HD LYS 28 -9.395 -3.766 7.192
202 1HE LYS 28 2HE LYS 28 -11.503 -4.735 6.159
203 2HE LYS 28 1HE LYS 28 -11.018 -6.276 6.864
204 1HZ LYS 28 1HZ LYS 28 -12.536 -5.142 8.324
205 2HZ LYS 28 2HZ LYS 28 -11.561 -3.760 8.346
206 3HZ LYS 28 3HZ LYS 28 -11.010 -5.196 9.050
207 H CYS 29 H CYS 29 -6.392 -1.588 5.637
208 HA CYS 29 HA CYS 29 -5.659 -0.571 3.093
209 1HB CYS 29 2HB CYS 29 -4.821 0.092 5.446
210 2HB CYS 29 1HB CYS 29 -3.675 -1.205 5.196
211 H LYS 30 H LYS 30 -3.755 -1.257 1.896
212 HA LYS 30 HA LYS 30 -2.390 -3.618 2.162
213 1HB LYS 30 2HB LYS 30 -3.706 -4.837 0.171
214 2HB LYS 30 1HB LYS 30 -4.035 -5.155 1.867
215 1HG LYS 30 2HG LYS 30 -6.019 -3.968 1.838
216 2HG LYS 30 1HG LYS 30 -5.557 -3.040 0.414
217 1HD LYS 30 2HD LYS 30 -7.115 -4.531 -0.438
218 2HD LYS 30 1HD LYS 30 -5.582 -5.330 -0.792
219 1HE LYS 30 2HE LYS 30 -7.236 -6.892 0.123
220 2HE LYS 30 1HE LYS 30 -5.831 -6.731 1.176
221 1HZ LYS 30 1HZ LYS 30 -8.108 -6.690 2.259
222 2HZ LYS 30 2HZ LYS 30 -8.286 -5.140 1.608
223 3HZ LYS 30 3HZ LYS 30 -7.034 -5.460 2.700
224 H CYS 31 H CYS 31 -0.895 -2.188 1.392
225 HA CYS 31 HA CYS 31 -0.741 -0.582 -0.782
226 1HB CYS 31 2HB CYS 31 1.507 -2.489 -0.220
227 2HB CYS 31 1HB CYS 31 1.589 -0.806 -0.727
228 H ASN 32 H ASN 32 0.477 -0.861 -2.756
229 HA ASN 32 HA ASN 32 -0.793 -2.849 -4.417
230 1HB ASN 32 2HB ASN 32 -0.217 -0.314 -4.848
231 2HB ASN 32 1HB ASN 32 1.284 -0.997 -5.399
232 1HD2 ASN 32 1HD2 ASN 32 1.394 -1.625 -7.441
233 2HD2 ASN 32 2HD2 ASN 32 0.044 -1.915 -8.479
234 H ARG 33 H ARG 33 0.740 -3.618 -6.275
235 HA ARG 33 HA ARG 33 2.990 -5.002 -4.989
236 1HB ARG 33 2HB ARG 33 0.956 -6.103 -6.410
237 2HB ARG 33 1HB ARG 33 2.121 -5.831 -7.699
238 1HG ARG 33 2HG ARG 33 2.822 -7.277 -5.161
239 2HG ARG 33 1HG ARG 33 2.179 -8.094 -6.588
240 1HD ARG 33 2HD ARG 33 4.082 -7.754 -7.809
241 2HD ARG 33 1HD ARG 33 4.500 -6.275 -6.947
242 HE ARG 33 HE ARG 33 4.687 -8.645 -5.333
243 1HH1 ARG 33 1HH1 ARG 33 6.366 -6.588 -7.597
244 2HH1 ARG 33 2HH1 ARG 33 7.939 -7.067 -7.058
245 1HH2 ARG 33 1HH2 ARG 33 6.756 -9.278 -4.622
246 2HH2 ARG 33 2HH2 ARG 33 8.162 -8.594 -5.369
247 H CYS 34 H CYS 34 4.260 -3.143 -5.126
248 HA CYS 34 HA CYS 34 5.006 -2.146 -7.737
249 1HB CYS 34 2HB CYS 34 4.781 -1.025 -5.259
250 2HB CYS 34 1HB CYS 34 6.514 -1.150 -5.481
Start of MODEL 17
1 1H VAL 1 1HT VAL 1 -10.969 -0.173 -8.551
2 2H VAL 1 2HT VAL 1 -11.273 -1.502 -7.509
3 3H VAL 1 3HT VAL 1 -9.711 -1.277 -8.184
4 HA VAL 1 HA VAL 1 -10.904 0.819 -6.557
5 HB VAL 1 HB VAL 1 -9.675 -0.244 -4.597
6 1HG1 VAL 1 1HG1 VAL 1 -12.037 -0.139 -4.523
7 2HG1 VAL 1 2HG1 VAL 1 -11.607 -1.798 -4.106
8 3HG1 VAL 1 3HG1 VAL 1 -12.204 -1.421 -5.722
9 1HG2 VAL 1 1HG2 VAL 1 -9.871 -2.649 -6.405
10 2HG2 VAL 1 2HG2 VAL 1 -9.533 -2.725 -4.675
11 3HG2 VAL 1 3HG2 VAL 1 -8.402 -1.917 -5.760
12 H SER 2 H SER 2 -9.413 2.354 -6.045
13 HA SER 2 HA SER 2 -6.597 1.919 -6.223
14 1HB SER 2 2HB SER 2 -8.022 3.305 -8.481
15 2HB SER 2 1HB SER 2 -6.356 3.718 -8.076
16 HG SER 2 HG SER 2 -5.824 1.510 -8.387
17 H CYS 3 H CYS 3 -5.473 3.478 -5.152
18 HA CYS 3 HA CYS 3 -6.908 5.933 -4.410
19 1HB CYS 3 2HB CYS 3 -5.486 5.547 -2.163
20 2HB CYS 3 1HB CYS 3 -7.137 4.976 -2.362
21 H THR 4 H THR 4 -5.298 7.458 -3.233
22 HA THR 4 HA THR 4 -2.595 7.296 -4.295
23 HB THR 4 HB THR 4 -3.991 9.877 -4.798
24 HG1 THR 4 1HG THR 4 -4.294 7.563 -6.403
25 1HG2 THR 4 1HG2 THR 4 -1.507 8.760 -5.477
26 2HG2 THR 4 2HG2 THR 4 -2.170 10.321 -5.959
27 3HG2 THR 4 3HG2 THR 4 -2.432 8.901 -6.972
28 H GLY 5 H GLY 5 -3.838 7.263 -1.644
29 1HA GLY 5 2HA GLY 5 -2.129 8.424 -0.008
30 2HA GLY 5 1HA GLY 5 -3.050 9.837 -0.501
31 H SER 6 H SER 6 -2.780 8.715 2.155
32 HA SER 6 HA SER 6 -5.619 8.480 2.765
33 1HB SER 6 2HB SER 6 -3.784 6.557 4.146
34 2HB SER 6 1HB SER 6 -5.524 6.448 3.880
35 HG SER 6 HG SER 6 -5.136 5.410 2.105
36 H LYS 7 H LYS 7 -5.659 8.148 5.388
37 HA LYS 7 HA LYS 7 -4.745 10.621 6.404
38 1HB LYS 7 2HB LYS 7 -5.542 9.769 8.592
39 2HB LYS 7 1HB LYS 7 -6.731 9.588 7.311
40 1HG LYS 7 2HG LYS 7 -5.646 7.193 7.113
41 2HG LYS 7 1HG LYS 7 -5.202 7.520 8.789
42 1HD LYS 7 2HD LYS 7 -7.243 6.631 9.197
43 2HD LYS 7 1HD LYS 7 -7.777 8.277 8.851
44 1HE LYS 7 2HE LYS 7 -7.977 7.525 6.425
45 2HE LYS 7 1HE LYS 7 -7.811 5.880 7.036
46 1HZ LYS 7 1HZ LYS 7 -9.721 6.771 8.632
47 2HZ LYS 7 2HZ LYS 7 -10.045 6.051 7.136
48 3HZ LYS 7 3HZ LYS 7 -10.041 7.736 7.278
49 H ASP 8 H ASP 8 -3.662 7.283 7.004
50 HA ASP 8 HA ASP 8 -0.963 8.194 7.433
51 1HB ASP 8 2HB ASP 8 -0.931 6.905 9.691
52 2HB ASP 8 1HB ASP 8 -1.507 8.568 9.653
53 H CYS 9 H CYS 9 -2.509 6.361 5.717
54 HA CYS 9 HA CYS 9 -1.213 3.814 6.359
55 1HB CYS 9 2HB CYS 9 -3.780 4.120 5.910
56 2HB CYS 9 1HB CYS 9 -3.258 4.018 4.243
57 H TYR 10 H TYR 10 -2.232 5.520 3.445
58 HA TYR 10 HA TYR 10 -0.577 4.332 1.622
59 1HB TYR 10 2HB TYR 10 -2.294 6.521 1.623
60 2HB TYR 10 1HB TYR 10 -0.745 7.196 1.127
61 HD1 TYR 10 1HD TYR 10 -0.573 7.410 -1.156
62 HD2 TYR 10 2HD TYR 10 -2.585 4.013 0.427
63 HE1 TYR 10 1HE TYR 10 -0.935 6.569 -3.438
64 HE2 TYR 10 2HE TYR 10 -2.953 3.162 -1.850
65 HH TYR 10 HH TYR 10 -3.068 4.004 -4.135
66 H ALA 11 H ALA 11 0.272 6.647 4.070
67 HA ALA 11 HA ALA 11 2.769 7.423 2.928
68 1HB ALA 11 1HB ALA 11 3.127 7.967 5.541
69 2HB ALA 11 2HB ALA 11 1.366 7.878 5.478
70 3HB ALA 11 3HB ALA 11 2.228 9.009 4.436
71 HA PRO 12 HA PRO 12 4.864 4.483 6.201
72 1HB PRO 12 2HB PRO 12 3.080 2.572 7.177
73 2HB PRO 12 1HB PRO 12 3.662 3.984 8.064
74 1HG PRO 12 2HG PRO 12 1.105 3.599 6.575
75 2HG PRO 12 1HG PRO 12 1.404 4.465 8.093
76 1HD PRO 12 2HD PRO 12 1.042 5.781 5.792
77 2HD PRO 12 1HD PRO 12 2.215 6.349 7.001
78 H CYS 13 H CYS 13 2.325 3.580 4.012
79 HA CYS 13 HA CYS 13 3.557 1.037 3.372
80 1HB CYS 13 2HB CYS 13 0.971 2.018 3.280
81 2HB CYS 13 1HB CYS 13 1.441 1.816 1.606
82 H ARG 14 H ARG 14 2.840 4.111 1.731
83 HA ARG 14 HA ARG 14 3.840 3.542 -0.753
84 1HB ARG 14 2HB ARG 14 2.754 5.649 -0.360
85 2HB ARG 14 1HB ARG 14 3.979 6.124 0.807
86 1HG ARG 14 2HG ARG 14 5.036 5.513 -1.851
87 2HG ARG 14 1HG ARG 14 3.916 6.876 -1.809
88 1HD ARG 14 2HD ARG 14 5.437 7.427 0.350
89 2HD ARG 14 1HD ARG 14 6.618 6.597 -0.662
90 HE ARG 14 HE ARG 14 5.589 9.218 -1.046
91 1HH1 ARG 14 1HH1 ARG 14 6.689 6.393 -2.775
92 2HH1 ARG 14 2HH1 ARG 14 7.170 7.285 -4.178
93 1HH2 ARG 14 1HH2 ARG 14 6.222 10.394 -2.890
94 2HH2 ARG 14 2HH2 ARG 14 6.906 9.557 -4.244
95 H LYS 15 H LYS 15 5.571 4.364 2.183
96 HA LYS 15 HA LYS 15 8.127 4.727 1.098
97 1HB LYS 15 2HB LYS 15 6.970 4.282 3.724
98 2HB LYS 15 1HB LYS 15 8.510 3.451 3.559
99 1HG LYS 15 2HG LYS 15 8.076 6.374 2.981
100 2HG LYS 15 1HG LYS 15 8.706 5.727 4.498
101 1HD LYS 15 2HD LYS 15 10.708 6.049 3.514
102 2HD LYS 15 1HD LYS 15 10.345 4.518 2.714
103 1HE LYS 15 2HE LYS 15 9.992 5.499 0.710
104 2HE LYS 15 1HE LYS 15 9.244 6.926 1.423
105 1HZ LYS 15 1HZ LYS 15 11.684 7.366 2.209
106 2HZ LYS 15 2HZ LYS 15 11.185 7.805 0.654
107 3HZ LYS 15 3HZ LYS 15 12.072 6.384 0.886
108 H GLN 16 H GLN 16 6.500 1.798 2.276
109 HA GLN 16 HA GLN 16 8.662 0.050 1.662
110 1HB GLN 16 2HB GLN 16 6.467 -0.195 3.190
111 2HB GLN 16 1HB GLN 16 5.905 -1.032 1.751
112 1HG GLN 16 2HG GLN 16 8.160 -2.307 1.936
113 2HG GLN 16 1HG GLN 16 8.129 -1.741 3.605
114 1HE2 GLN 16 1HE2 GLN 16 6.182 -2.253 4.856
115 2HE2 GLN 16 2HE2 GLN 16 5.378 -3.752 4.556
116 H THR 17 H THR 17 5.499 0.543 0.077
117 HA THR 17 HA THR 17 6.107 -1.118 -2.134
118 HB THR 17 HB THR 17 3.970 0.967 -1.704
119 HG1 THR 17 1HG THR 17 4.185 -1.772 -1.245
120 1HG2 THR 17 1HG2 THR 17 2.764 0.056 -3.565
121 2HG2 THR 17 2HG2 THR 17 4.055 -1.101 -3.883
122 3HG2 THR 17 3HG2 THR 17 4.340 0.623 -4.115
123 H GLY 18 H GLY 18 5.541 2.370 -2.072
124 1HA GLY 18 2HA GLY 18 7.288 3.826 -3.003
125 2HA GLY 18 1HA GLY 18 7.450 2.626 -4.249
126 H CYS 19 H CYS 19 6.388 2.881 -6.023
127 HA CYS 19 HA CYS 19 5.316 4.926 -7.132
128 1HB CYS 19 2HB CYS 19 3.623 3.430 -8.286
129 2HB CYS 19 1HB CYS 19 5.339 3.156 -8.480
130 HA PRO 20 HA PRO 20 1.835 6.718 -5.100
131 1HB PRO 20 2HB PRO 20 0.709 7.072 -7.828
132 2HB PRO 20 1HB PRO 20 0.976 8.266 -6.554
133 1HG PRO 20 2HG PRO 20 2.589 8.159 -8.666
134 2HG PRO 20 1HG PRO 20 3.235 8.478 -7.045
135 1HD PRO 20 2HD PRO 20 3.313 5.964 -8.659
136 2HD PRO 20 1HD PRO 20 4.547 6.658 -7.587
137 H TYR 21 H TYR 21 1.460 3.999 -7.217
138 HA TYR 21 HA TYR 21 -1.327 3.701 -7.014
139 1HB TYR 21 2HB TYR 21 0.338 1.285 -7.347
140 2HB TYR 21 1HB TYR 21 -1.012 1.870 -8.285
141 HD1 TYR 21 1HD TYR 21 2.084 0.873 -8.814
142 HD2 TYR 21 2HD TYR 21 -0.173 4.453 -9.258
143 HE1 TYR 21 1HE TYR 21 3.618 1.613 -10.587
144 HE2 TYR 21 2HE TYR 21 1.355 5.202 -11.032
145 HH TYR 21 HH TYR 21 3.676 3.121 -12.461
146 H GLY 22 H GLY 22 -2.379 1.828 -5.937
147 1HA GLY 22 2HA GLY 22 -1.099 0.697 -3.621
148 2HA GLY 22 1HA GLY 22 -2.284 1.917 -3.220
149 H LYS 23 H LYS 23 -2.346 -0.916 -2.553
150 HA LYS 23 HA LYS 23 -4.563 -1.879 -4.195
151 1HB LYS 23 2HB LYS 23 -2.393 -3.227 -3.316
152 2HB LYS 23 1HB LYS 23 -3.513 -3.565 -2.002
153 1HG LYS 23 2HG LYS 23 -5.136 -4.164 -3.985
154 2HG LYS 23 1HG LYS 23 -3.617 -4.402 -4.850
155 1HD LYS 23 2HD LYS 23 -3.749 -6.483 -3.992
156 2HD LYS 23 1HD LYS 23 -3.087 -5.715 -2.546
157 1HE LYS 23 2HE LYS 23 -5.365 -5.386 -1.694
158 2HE LYS 23 1HE LYS 23 -6.009 -6.181 -3.130
159 1HZ LYS 23 1HZ LYS 23 -4.694 -7.332 -0.803
160 2HZ LYS 23 2HZ LYS 23 -4.328 -8.040 -2.295
161 3HZ LYS 23 3HZ LYS 23 -5.934 -7.961 -1.769
162 H CYS 24 H CYS 24 -4.380 0.169 -1.820
163 HA CYS 24 HA CYS 24 -5.847 -0.808 0.326
164 1HB CYS 24 2HB CYS 24 -5.826 1.339 1.094
165 2HB CYS 24 1HB CYS 24 -4.615 1.510 -0.166
166 H MET 25 H MET 25 -7.900 -1.306 0.648
167 HA MET 25 HA MET 25 -10.013 -0.203 -1.027
168 1HB MET 25 2HB MET 25 -10.922 -2.504 -1.476
169 2HB MET 25 1HB MET 25 -9.448 -2.116 -2.353
170 1HG MET 25 2HG MET 25 -8.161 -3.559 -1.099
171 2HG MET 25 1HG MET 25 -9.291 -3.556 0.254
172 1HE MET 25 1HE MET 25 -8.494 -6.932 -1.134
173 2HE MET 25 2HE MET 25 -7.614 -5.477 -1.601
174 3HE MET 25 3HE MET 25 -8.511 -6.392 -2.812
175 H ASN 26 H ASN 26 -12.053 -0.312 -0.064
176 HA ASN 26 HA ASN 26 -13.446 -0.312 1.840
177 1HB ASN 26 2HB ASN 26 -11.890 -2.727 2.706
178 2HB ASN 26 1HB ASN 26 -13.580 -2.345 3.017
179 1HD2 ASN 26 1HD2 ASN 26 -14.414 -1.646 0.483
180 2HD2 ASN 26 2HD2 ASN 26 -14.357 -3.039 -0.537
181 H ARG 27 H ARG 27 -13.114 -0.905 4.240
182 HA ARG 27 HA ARG 27 -11.486 1.171 5.271
183 1HB ARG 27 2HB ARG 27 -13.538 -0.595 6.332
184 2HB ARG 27 1HB ARG 27 -12.206 -0.391 7.464
185 1HG ARG 27 2HG ARG 27 -12.728 2.177 6.569
186 2HG ARG 27 1HG ARG 27 -14.322 1.442 6.739
187 1HD ARG 27 2HD ARG 27 -12.232 1.266 8.890
188 2HD ARG 27 1HD ARG 27 -13.358 2.618 8.782
189 HE ARG 27 HE ARG 27 -13.914 0.028 9.792
190 1HH1 ARG 27 1HH1 ARG 27 -15.346 2.647 7.983
191 2HH1 ARG 27 2HH1 ARG 27 -16.965 2.254 8.457
192 1HH2 ARG 27 1HH2 ARG 27 -16.042 -0.491 10.415
193 2HH2 ARG 27 2HH2 ARG 27 -17.361 0.474 9.838
194 H LYS 28 H LYS 28 -10.603 -1.398 3.925
195 HA LYS 28 HA LYS 28 -8.389 -2.013 5.788
196 1HB LYS 28 2HB LYS 28 -9.896 -3.939 5.407
197 2HB LYS 28 1HB LYS 28 -9.574 -3.832 3.681
198 1HG LYS 28 2HG LYS 28 -8.144 -5.509 4.328
199 2HG LYS 28 1HG LYS 28 -7.090 -4.095 4.394
200 1HD LYS 28 2HD LYS 28 -6.915 -4.167 6.650
201 2HD LYS 28 1HD LYS 28 -8.578 -4.716 6.866
202 1HE LYS 28 2HE LYS 28 -6.766 -6.361 7.504
203 2HE LYS 28 1HE LYS 28 -8.004 -6.957 6.399
204 1HZ LYS 28 1HZ LYS 28 -5.626 -7.510 5.832
205 2HZ LYS 28 2HZ LYS 28 -5.419 -5.877 5.442
206 3HZ LYS 28 3HZ LYS 28 -6.540 -6.815 4.590
207 H CYS 29 H CYS 29 -7.068 -0.399 4.999
208 HA CYS 29 HA CYS 29 -6.481 -0.044 2.263
209 1HB CYS 29 2HB CYS 29 -5.947 1.867 3.311
210 2HB CYS 29 1HB CYS 29 -5.621 1.062 4.824
211 H LYS 30 H LYS 30 -4.256 -0.234 1.376
212 HA LYS 30 HA LYS 30 -2.274 -1.887 2.361
213 1HB LYS 30 2HB LYS 30 -2.708 -3.970 0.983
214 2HB LYS 30 1HB LYS 30 -3.713 -3.761 2.409
215 1HG LYS 30 2HG LYS 30 -5.004 -2.544 0.175
216 2HG LYS 30 1HG LYS 30 -4.524 -4.186 -0.253
217 1HD LYS 30 2HD LYS 30 -5.985 -3.525 2.294
218 2HD LYS 30 1HD LYS 30 -6.818 -3.923 0.791
219 1HE LYS 30 2HE LYS 30 -6.707 -5.972 1.863
220 2HE LYS 30 1HE LYS 30 -5.308 -6.024 0.792
221 1HZ LYS 30 1HZ LYS 30 -5.003 -5.035 3.547
222 2HZ LYS 30 2HZ LYS 30 -3.853 -5.752 2.535
223 3HZ LYS 30 3HZ LYS 30 -5.053 -6.701 3.256
224 H CYS 31 H CYS 31 -0.883 -0.588 1.312
225 HA CYS 31 HA CYS 31 -0.902 0.563 -1.152
226 1HB CYS 31 2HB CYS 31 1.631 0.174 -1.141
227 2HB CYS 31 1HB CYS 31 0.927 1.085 0.186
228 H ASN 32 H ASN 32 0.465 0.077 -2.990
229 HA ASN 32 HA ASN 32 -0.464 -2.348 -4.225
230 1HB ASN 32 2HB ASN 32 -0.207 0.071 -5.172
231 2HB ASN 32 1HB ASN 32 1.421 -0.463 -5.505
232 1HD2 ASN 32 1HD2 ASN 32 1.772 -1.479 -7.357
233 2HD2 ASN 32 2HD2 ASN 32 0.557 -2.177 -8.368
234 H ARG 33 H ARG 33 1.215 -3.313 -5.840
235 HA ARG 33 HA ARG 33 3.538 -4.150 -4.241
236 1HB ARG 33 2HB ARG 33 1.676 -5.774 -5.237
237 2HB ARG 33 1HB ARG 33 2.686 -5.656 -6.671
238 1HG ARG 33 2HG ARG 33 3.803 -6.398 -3.987
239 2HG ARG 33 1HG ARG 33 3.133 -7.593 -5.100
240 1HD ARG 33 2HD ARG 33 4.756 -6.374 -6.800
241 2HD ARG 33 1HD ARG 33 5.612 -5.965 -5.313
242 HE ARG 33 HE ARG 33 6.286 -8.143 -5.147
243 1HH1 ARG 33 1HH1 ARG 33 3.640 -7.959 -7.416
244 2HH1 ARG 33 2HH1 ARG 33 3.792 -9.609 -7.918
245 1HH2 ARG 33 1HH2 ARG 33 6.487 -10.314 -5.807
246 2HH2 ARG 33 2HH2 ARG 33 5.408 -10.947 -7.004
247 H CYS 34 H CYS 34 4.962 -2.545 -4.790
248 HA CYS 34 HA CYS 34 5.507 -2.029 -7.594
249 1HB CYS 34 2HB CYS 34 5.446 -0.434 -5.391
250 2HB CYS 34 1HB CYS 34 7.165 -0.664 -5.649
Start of MODEL 18
1 1H VAL 1 1HT VAL 1 -4.885 -0.139 -8.430
2 2H VAL 1 2HT VAL 1 -5.817 1.057 -9.233
3 3H VAL 1 3HT VAL 1 -6.441 -0.530 -9.031
4 HA VAL 1 HA VAL 1 -7.279 1.275 -7.526
5 HB VAL 1 HB VAL 1 -7.170 -0.299 -5.530
6 1HG1 VAL 1 1HG1 VAL 1 -8.647 -1.925 -6.558
7 2HG1 VAL 1 2HG1 VAL 1 -8.070 -1.470 -8.161
8 3HG1 VAL 1 3HG1 VAL 1 -8.984 -0.314 -7.191
9 1HG2 VAL 1 1HG2 VAL 1 -5.985 -2.240 -5.578
10 2HG2 VAL 1 2HG2 VAL 1 -4.931 -1.264 -6.600
11 3HG2 VAL 1 3HG2 VAL 1 -6.078 -2.386 -7.332
12 H SER 2 H SER 2 -6.842 2.648 -5.864
13 HA SER 2 HA SER 2 -4.467 2.518 -4.295
14 1HB SER 2 2HB SER 2 -3.482 4.670 -5.103
15 2HB SER 2 1HB SER 2 -3.396 3.370 -6.291
16 HG SER 2 HG SER 2 -5.203 5.550 -6.224
17 H CYS 3 H CYS 3 -4.740 3.612 -2.432
18 HA CYS 3 HA CYS 3 -7.154 5.267 -2.205
19 1HB CYS 3 2HB CYS 3 -5.538 4.158 0.086
20 2HB CYS 3 1HB CYS 3 -7.200 4.735 0.108
21 H THR 4 H THR 4 -6.947 6.992 -0.415
22 HA THR 4 HA THR 4 -4.430 8.200 0.064
23 HB THR 4 HB THR 4 -5.256 10.339 -1.324
24 HG1 THR 4 1HG THR 4 -6.060 8.163 -2.946
25 1HG2 THR 4 1HG2 THR 4 -3.209 8.507 -1.621
26 2HG2 THR 4 2HG2 THR 4 -3.385 10.044 -2.467
27 3HG2 THR 4 3HG2 THR 4 -3.984 8.557 -3.204
28 H GLY 5 H GLY 5 -6.810 7.467 1.505
29 1HA GLY 5 2HA GLY 5 -7.281 10.025 2.826
30 2HA GLY 5 1HA GLY 5 -8.698 9.208 2.184
31 H SER 6 H SER 6 -6.014 7.386 3.442
32 HA SER 6 HA SER 6 -7.735 6.206 5.440
33 1HB SER 6 2HB SER 6 -4.826 5.566 5.339
34 2HB SER 6 1HB SER 6 -6.208 4.491 5.546
35 HG SER 6 HG SER 6 -5.087 5.529 3.197
36 H LYS 7 H LYS 7 -6.085 5.630 7.522
37 HA LYS 7 HA LYS 7 -5.981 8.174 8.889
38 1HB LYS 7 2HB LYS 7 -5.529 6.856 10.889
39 2HB LYS 7 1HB LYS 7 -6.897 6.188 10.011
40 1HG LYS 7 2HG LYS 7 -5.307 4.530 8.997
41 2HG LYS 7 1HG LYS 7 -4.092 5.118 10.134
42 1HD LYS 7 2HD LYS 7 -5.141 4.195 11.945
43 2HD LYS 7 1HD LYS 7 -6.743 4.323 11.217
44 1HE LYS 7 2HE LYS 7 -6.526 2.099 10.951
45 2HE LYS 7 1HE LYS 7 -5.577 2.557 9.538
46 1HZ LYS 7 1HZ LYS 7 -4.337 2.176 12.196
47 2HZ LYS 7 2HZ LYS 7 -3.584 2.206 10.683
48 3HZ LYS 7 3HZ LYS 7 -4.553 0.889 11.118
49 H ASP 8 H ASP 8 -3.684 5.598 8.042
50 HA ASP 8 HA ASP 8 -1.556 7.313 7.487
51 1HB ASP 8 2HB ASP 8 -1.948 7.320 10.174
52 2HB ASP 8 1HB ASP 8 -0.808 5.987 10.016
53 H CYS 9 H CYS 9 -2.457 5.215 6.139
54 HA CYS 9 HA CYS 9 -0.605 3.009 6.682
55 1HB CYS 9 2HB CYS 9 -3.189 2.733 6.415
56 2HB CYS 9 1HB CYS 9 -2.792 2.778 4.712
57 H TYR 10 H TYR 10 -2.153 4.405 3.842
58 HA TYR 10 HA TYR 10 -0.435 3.584 1.898
59 1HB TYR 10 2HB TYR 10 -2.522 5.423 2.066
60 2HB TYR 10 1HB TYR 10 -1.165 6.366 1.458
61 HD1 TYR 10 1HD TYR 10 -1.355 6.649 -0.820
62 HD2 TYR 10 2HD TYR 10 -2.319 2.859 0.854
63 HE1 TYR 10 1HE TYR 10 -1.745 5.758 -3.078
64 HE2 TYR 10 2HE TYR 10 -2.711 1.956 -1.399
65 HH TYR 10 HH TYR 10 -1.822 3.665 -4.244
66 H ALA 11 H ALA 11 0.102 6.059 4.285
67 HA ALA 11 HA ALA 11 2.360 7.223 2.982
68 1HB ALA 11 1HB ALA 11 2.733 7.948 5.555
69 2HB ALA 11 2HB ALA 11 1.013 7.559 5.578
70 3HB ALA 11 3HB ALA 11 1.629 8.768 4.450
71 HA PRO 12 HA PRO 12 5.185 4.913 6.200
72 1HB PRO 12 2HB PRO 12 3.804 2.775 7.385
73 2HB PRO 12 1HB PRO 12 4.271 4.279 8.182
74 1HG PRO 12 2HG PRO 12 1.653 3.492 7.000
75 2HG PRO 12 1HG PRO 12 1.990 4.479 8.434
76 1HD PRO 12 2HD PRO 12 1.197 5.595 6.133
77 2HD PRO 12 1HD PRO 12 2.400 6.389 7.173
78 H CYS 13 H CYS 13 2.609 3.467 4.387
79 HA CYS 13 HA CYS 13 4.007 1.075 3.675
80 1HB CYS 13 2HB CYS 13 1.450 1.632 3.732
81 2HB CYS 13 1HB CYS 13 1.754 2.143 2.092
82 H ARG 14 H ARG 14 2.889 3.886 1.843
83 HA ARG 14 HA ARG 14 4.067 3.341 -0.558
84 1HB ARG 14 2HB ARG 14 2.594 5.243 -0.269
85 2HB ARG 14 1HB ARG 14 3.771 6.043 0.762
86 1HG ARG 14 2HG ARG 14 5.310 5.855 -1.338
87 2HG ARG 14 1HG ARG 14 3.778 5.669 -2.196
88 1HD ARG 14 2HD ARG 14 3.209 7.789 -0.622
89 2HD ARG 14 1HD ARG 14 4.939 8.029 -0.866
90 HE ARG 14 HE ARG 14 4.025 7.575 -3.369
91 1HH1 ARG 14 1HH1 ARG 14 3.044 9.770 -0.840
92 2HH1 ARG 14 2HH1 ARG 14 2.480 10.983 -1.941
93 1HH2 ARG 14 1HH2 ARG 14 3.284 9.168 -4.817
94 2HH2 ARG 14 2HH2 ARG 14 2.615 10.641 -4.199
95 H LYS 15 H LYS 15 5.571 4.575 2.333
96 HA LYS 15 HA LYS 15 8.057 5.290 1.193
97 1HB LYS 15 2HB LYS 15 6.919 5.324 3.749
98 2HB LYS 15 1HB LYS 15 8.292 4.234 3.889
99 1HG LYS 15 2HG LYS 15 8.356 7.081 2.917
100 2HG LYS 15 1HG LYS 15 8.957 6.475 4.461
101 1HD LYS 15 2HD LYS 15 10.735 5.332 3.450
102 2HD LYS 15 1HD LYS 15 9.992 5.413 1.851
103 1HE LYS 15 2HE LYS 15 11.268 7.641 3.420
104 2HE LYS 15 1HE LYS 15 11.770 6.985 1.863
105 1HZ LYS 15 1HZ LYS 15 10.677 8.921 1.293
106 2HZ LYS 15 2HZ LYS 15 9.485 8.741 2.478
107 3HZ LYS 15 3HZ LYS 15 9.458 7.764 1.097
108 H GLN 16 H GLN 16 6.820 2.306 2.645
109 HA GLN 16 HA GLN 16 9.224 0.824 2.289
110 1HB GLN 16 2HB GLN 16 7.079 0.422 3.808
111 2HB GLN 16 1HB GLN 16 6.591 -0.557 2.432
112 1HG GLN 16 2HG GLN 16 9.195 -0.877 3.904
113 2HG GLN 16 1HG GLN 16 7.742 -1.822 4.223
114 1HE2 GLN 16 1HE2 GLN 16 10.500 -1.446 2.268
115 2HE2 GLN 16 2HE2 GLN 16 10.199 -2.754 1.180
116 H THR 17 H THR 17 6.077 0.642 0.595
117 HA THR 17 HA THR 17 7.053 -1.088 -1.425
118 HB THR 17 HB THR 17 4.592 0.649 -1.539
119 HG1 THR 17 1HG THR 17 4.495 -0.540 0.345
120 1HG2 THR 17 1HG2 THR 17 5.511 -1.734 -3.051
121 2HG2 THR 17 2HG2 THR 17 4.632 -0.308 -3.603
122 3HG2 THR 17 3HG2 THR 17 3.793 -1.565 -2.694
123 H GLY 18 H GLY 18 5.901 2.244 -1.704
124 1HA GLY 18 2HA GLY 18 7.505 3.819 -2.768
125 2HA GLY 18 1HA GLY 18 7.680 2.576 -3.969
126 H CYS 19 H CYS 19 6.456 2.641 -5.658
127 HA CYS 19 HA CYS 19 5.113 4.524 -6.764
128 1HB CYS 19 2HB CYS 19 3.613 2.949 -7.863
129 2HB CYS 19 1HB CYS 19 5.302 2.492 -7.863
130 HA PRO 20 HA PRO 20 1.663 5.970 -4.403
131 1HB PRO 20 2HB PRO 20 0.043 6.815 -6.458
132 2HB PRO 20 1HB PRO 20 1.410 7.735 -5.820
133 1HG PRO 20 2HG PRO 20 1.268 5.983 -8.241
134 2HG PRO 20 1HG PRO 20 2.060 7.557 -8.041
135 1HD PRO 20 2HD PRO 20 3.461 5.269 -8.002
136 2HD PRO 20 1HD PRO 20 3.894 6.640 -6.958
137 H TYR 21 H TYR 21 1.366 3.426 -6.717
138 HA TYR 21 HA TYR 21 -1.387 2.922 -6.454
139 1HB TYR 21 2HB TYR 21 0.422 0.665 -7.049
140 2HB TYR 21 1HB TYR 21 -0.999 1.234 -7.890
141 HD1 TYR 21 1HD TYR 21 2.139 0.504 -8.593
142 HD2 TYR 21 2HD TYR 21 -0.373 3.937 -8.665
143 HE1 TYR 21 1HE TYR 21 3.554 1.495 -10.342
144 HE2 TYR 21 2HE TYR 21 1.036 4.939 -10.414
145 HH TYR 21 HH TYR 21 3.414 3.160 -12.102
146 H GLY 22 H GLY 22 -2.267 0.896 -5.511
147 1HA GLY 22 2HA GLY 22 -0.882 -0.479 -3.452
148 2HA GLY 22 1HA GLY 22 -1.898 0.765 -2.765
149 H LYS 23 H LYS 23 -2.161 -2.103 -2.398
150 HA LYS 23 HA LYS 23 -4.571 -2.745 -3.910
151 1HB LYS 23 2HB LYS 23 -2.481 -4.322 -3.142
152 2HB LYS 23 1HB LYS 23 -3.640 -4.649 -1.861
153 1HG LYS 23 2HG LYS 23 -4.696 -4.727 -4.613
154 2HG LYS 23 1HG LYS 23 -3.555 -6.000 -4.174
155 1HD LYS 23 2HD LYS 23 -4.932 -6.571 -2.236
156 2HD LYS 23 1HD LYS 23 -6.067 -5.287 -2.659
157 1HE LYS 23 2HE LYS 23 -5.470 -7.219 -4.801
158 2HE LYS 23 1HE LYS 23 -6.341 -7.870 -3.412
159 1HZ LYS 23 1HZ LYS 23 -7.588 -6.765 -5.426
160 2HZ LYS 23 2HZ LYS 23 -7.283 -5.348 -4.555
161 3HZ LYS 23 3HZ LYS 23 -8.162 -6.605 -3.842
162 H CYS 24 H CYS 24 -4.064 -0.832 -1.487
163 HA CYS 24 HA CYS 24 -5.464 -1.686 0.735
164 1HB CYS 24 2HB CYS 24 -4.471 0.298 1.213
165 2HB CYS 24 1HB CYS 24 -4.646 0.896 -0.426
166 H MET 25 H MET 25 -7.469 -2.363 0.954
167 HA MET 25 HA MET 25 -9.509 -1.472 -0.964
168 1HB MET 25 2HB MET 25 -9.116 -3.940 0.664
169 2HB MET 25 1HB MET 25 -10.765 -3.447 0.300
170 1HG MET 25 2HG MET 25 -9.753 -3.266 -2.149
171 2HG MET 25 1HG MET 25 -8.647 -4.472 -1.493
172 1HE MET 25 1HE MET 25 -11.301 -4.130 -3.681
173 2HE MET 25 2HE MET 25 -11.994 -5.751 -3.711
174 3HE MET 25 3HE MET 25 -10.261 -5.528 -3.951
175 H ASN 26 H ASN 26 -11.435 -0.599 -0.294
176 HA ASN 26 HA ASN 26 -11.517 1.172 1.753
177 1HB ASN 26 2HB ASN 26 -14.132 0.540 1.751
178 2HB ASN 26 1HB ASN 26 -13.364 1.500 0.496
179 1HD2 ASN 26 1HD2 ASN 26 -13.746 0.886 -1.504
180 2HD2 ASN 26 2HD2 ASN 26 -14.216 -0.697 -2.012
181 H ARG 27 H ARG 27 -11.342 1.055 3.839
182 HA ARG 27 HA ARG 27 -11.653 0.414 6.010
183 1HB ARG 27 2HB ARG 27 -13.855 -0.710 4.747
184 2HB ARG 27 1HB ARG 27 -13.162 -1.983 5.752
185 1HG ARG 27 2HG ARG 27 -14.853 -0.458 6.812
186 2HG ARG 27 1HG ARG 27 -13.382 -0.726 7.707
187 1HD ARG 27 2HD ARG 27 -13.301 1.567 5.893
188 2HD ARG 27 1HD ARG 27 -14.525 1.706 7.154
189 HE ARG 27 HE ARG 27 -12.020 0.878 8.218
190 1HH1 ARG 27 1HH1 ARG 27 -13.762 3.673 7.061
191 2HH1 ARG 27 2HH1 ARG 27 -12.850 4.793 8.016
192 1HH2 ARG 27 1HH2 ARG 27 -10.820 2.350 9.476
193 2HH2 ARG 27 2HH2 ARG 27 -11.179 4.042 9.386
194 H LYS 28 H LYS 28 -9.572 -0.562 4.219
195 HA LYS 28 HA LYS 28 -8.151 -2.213 5.914
196 1HB LYS 28 2HB LYS 28 -10.064 -3.677 4.251
197 2HB LYS 28 1HB LYS 28 -8.416 -4.263 4.088
198 1HG LYS 28 2HG LYS 28 -9.324 -3.802 6.846
199 2HG LYS 28 1HG LYS 28 -10.141 -5.101 5.976
200 1HD LYS 28 2HD LYS 28 -7.144 -4.843 6.136
201 2HD LYS 28 1HD LYS 28 -8.098 -5.786 7.284
202 1HE LYS 28 2HE LYS 28 -8.507 -7.436 5.792
203 2HE LYS 28 1HE LYS 28 -8.613 -6.322 4.430
204 1HZ LYS 28 1HZ LYS 28 -6.695 -7.636 4.107
205 2HZ LYS 28 2HZ LYS 28 -6.158 -7.398 5.693
206 3HZ LYS 28 3HZ LYS 28 -6.140 -6.114 4.594
207 H CYS 29 H CYS 29 -6.451 -0.961 5.262
208 HA CYS 29 HA CYS 29 -5.751 -0.524 2.565
209 1HB CYS 29 2HB CYS 29 -4.823 1.127 3.764
210 2HB CYS 29 1HB CYS 29 -4.731 0.156 5.211
211 H LYS 30 H LYS 30 -3.604 -1.137 1.670
212 HA LYS 30 HA LYS 30 -2.004 -3.207 2.463
213 1HB LYS 30 2HB LYS 30 -4.605 -4.161 1.533
214 2HB LYS 30 1HB LYS 30 -3.262 -4.883 0.658
215 1HG LYS 30 2HG LYS 30 -3.050 -4.793 3.607
216 2HG LYS 30 1HG LYS 30 -4.231 -5.906 2.911
217 1HD LYS 30 2HD LYS 30 -2.539 -7.012 1.634
218 2HD LYS 30 1HD LYS 30 -1.340 -5.793 2.069
219 1HE LYS 30 2HE LYS 30 -0.846 -7.590 3.471
220 2HE LYS 30 1HE LYS 30 -1.785 -6.503 4.492
221 1HZ LYS 30 1HZ LYS 30 -2.975 -8.791 3.030
222 2HZ LYS 30 2HZ LYS 30 -3.696 -7.856 4.240
223 3HZ LYS 30 3HZ LYS 30 -2.421 -8.898 4.625
224 H CYS 31 H CYS 31 -0.541 -1.969 1.363
225 HA CYS 31 HA CYS 31 -0.416 -0.829 -1.062
226 1HB CYS 31 2HB CYS 31 1.585 -2.373 0.503
227 2HB CYS 31 1HB CYS 31 2.005 -1.916 -1.143
228 H ASN 32 H ASN 32 0.584 -1.427 -3.056
229 HA ASN 32 HA ASN 32 -0.617 -3.838 -4.140
230 1HB ASN 32 2HB ASN 32 -0.630 -1.381 -5.048
231 2HB ASN 32 1HB ASN 32 0.890 -1.872 -5.745
232 1HD2 ASN 32 1HD2 ASN 32 -1.443 -1.128 -7.179
233 2HD2 ASN 32 2HD2 ASN 32 -1.957 -2.502 -8.092
234 H ARG 33 H ARG 33 0.754 -4.699 -6.076
235 HA ARG 33 HA ARG 33 3.168 -5.714 -4.929
236 1HB ARG 33 2HB ARG 33 3.171 -7.412 -6.496
237 2HB ARG 33 1HB ARG 33 1.467 -7.109 -6.197
238 1HG ARG 33 2HG ARG 33 3.118 -6.415 -8.566
239 2HG ARG 33 1HG ARG 33 1.593 -7.297 -8.489
240 1HD ARG 33 2HD ARG 33 0.346 -5.375 -8.230
241 2HD ARG 33 1HD ARG 33 1.715 -4.470 -7.585
242 HE ARG 33 HE ARG 33 2.501 -4.895 -10.102
243 1HH1 ARG 33 1HH1 ARG 33 -0.548 -3.762 -8.833
244 2HH1 ARG 33 2HH1 ARG 33 -0.912 -2.803 -10.228
245 1HH2 ARG 33 1HH2 ARG 33 2.021 -3.635 -11.935
246 2HH2 ARG 33 2HH2 ARG 33 0.544 -2.732 -11.988
247 H CYS 34 H CYS 34 4.349 -3.813 -4.815
248 HA CYS 34 HA CYS 34 5.354 -2.800 -7.370
249 1HB CYS 34 2HB CYS 34 4.449 -1.435 -5.242
250 2HB CYS 34 1HB CYS 34 6.174 -1.446 -4.915
Start of MODEL 19
1 1H VAL 1 1HT VAL 1 -1.967 11.249 -4.569
2 2H VAL 1 2HT VAL 1 -3.514 11.227 -3.827
3 3H VAL 1 3HT VAL 1 -2.614 9.775 -3.982
4 HA VAL 1 HA VAL 1 -1.064 10.418 -2.434
5 HB VAL 1 HB VAL 1 -1.205 12.698 -1.359
6 1HG1 VAL 1 1HG1 VAL 1 -0.514 12.646 -4.295
7 2HG1 VAL 1 2HG1 VAL 1 0.530 12.085 -2.989
8 3HG1 VAL 1 3HG1 VAL 1 0.092 13.789 -3.097
9 1HG2 VAL 1 1HG2 VAL 1 -2.517 14.377 -2.181
10 2HG2 VAL 1 2HG2 VAL 1 -3.556 12.997 -2.536
11 3HG2 VAL 1 3HG2 VAL 1 -2.558 13.700 -3.808
12 H SER 2 H SER 2 -1.420 9.887 -0.336
13 HA SER 2 HA SER 2 -2.533 9.279 1.549
14 1HB SER 2 2HB SER 2 -4.013 10.804 2.493
15 2HB SER 2 1HB SER 2 -3.135 11.821 1.351
16 HG SER 2 HG SER 2 -5.179 12.269 0.863
17 H CYS 3 H CYS 3 -3.657 7.478 1.856
18 HA CYS 3 HA CYS 3 -5.184 6.252 -0.150
19 1HB CYS 3 2HB CYS 3 -4.830 5.732 2.771
20 2HB CYS 3 1HB CYS 3 -6.021 4.827 1.866
21 H THR 4 H THR 4 -7.371 5.267 0.772
22 HA THR 4 HA THR 4 -9.206 7.530 0.777
23 HB THR 4 HB THR 4 -10.874 6.019 0.043
24 HG1 THR 4 1HG THR 4 -10.552 4.351 1.519
25 1HG2 THR 4 1HG2 THR 4 -9.469 6.326 -1.800
26 2HG2 THR 4 2HG2 THR 4 -9.727 4.583 -1.711
27 3HG2 THR 4 3HG2 THR 4 -8.215 5.283 -1.129
28 H GLY 5 H GLY 5 -7.641 6.597 3.167
29 1HA GLY 5 2HA GLY 5 -9.745 6.889 5.089
30 2HA GLY 5 1HA GLY 5 -9.053 5.270 5.089
31 H SER 6 H SER 6 -8.723 8.459 6.190
32 HA SER 6 HA SER 6 -7.289 9.367 7.722
33 1HB SER 6 2HB SER 6 -5.377 7.091 7.701
34 2HB SER 6 1HB SER 6 -6.014 8.015 9.061
35 HG SER 6 HG SER 6 -6.796 5.645 8.217
36 H LYS 7 H LYS 7 -4.756 9.816 7.894
37 HA LYS 7 HA LYS 7 -3.687 10.020 5.160
38 1HB LYS 7 2HB LYS 7 -4.240 12.170 7.125
39 2HB LYS 7 1HB LYS 7 -2.722 12.290 6.246
40 1HG LYS 7 2HG LYS 7 -4.124 13.487 4.890
41 2HG LYS 7 1HG LYS 7 -4.225 11.886 4.155
42 1HD LYS 7 2HD LYS 7 -6.171 12.184 6.271
43 2HD LYS 7 1HD LYS 7 -6.342 13.463 5.068
44 1HE LYS 7 2HE LYS 7 -5.916 10.885 3.825
45 2HE LYS 7 1HE LYS 7 -7.313 10.860 4.900
46 1HZ LYS 7 1HZ LYS 7 -6.845 12.592 2.549
47 2HZ LYS 7 2HZ LYS 7 -8.008 12.973 3.716
48 3HZ LYS 7 3HZ LYS 7 -8.134 11.534 2.835
49 H ASP 8 H ASP 8 -2.913 7.995 6.812
50 HA ASP 8 HA ASP 8 -0.107 8.621 7.168
51 1HB ASP 8 2HB ASP 8 -1.614 8.954 9.374
52 2HB ASP 8 1HB ASP 8 -1.273 7.233 9.514
53 H CYS 9 H CYS 9 -1.871 6.819 5.521
54 HA CYS 9 HA CYS 9 -0.711 4.250 6.322
55 1HB CYS 9 2HB CYS 9 -3.286 4.698 6.004
56 2HB CYS 9 1HB CYS 9 -2.875 4.357 4.336
57 H TYR 10 H TYR 10 -1.853 5.705 3.305
58 HA TYR 10 HA TYR 10 -0.363 4.261 1.531
59 1HB TYR 10 2HB TYR 10 -1.945 6.572 1.419
60 2HB TYR 10 1HB TYR 10 -0.403 7.047 0.718
61 HD1 TYR 10 1HD TYR 10 0.156 4.150 -0.371
62 HD2 TYR 10 2HD TYR 10 -3.139 6.823 -0.668
63 HE1 TYR 10 1HE TYR 10 -0.493 3.106 -2.499
64 HE2 TYR 10 2HE TYR 10 -3.799 5.785 -2.795
65 HH TYR 10 HH TYR 10 -3.183 3.097 -3.800
66 H ALA 11 H ALA 11 0.721 6.783 3.663
67 HA ALA 11 HA ALA 11 3.188 7.309 2.334
68 1HB ALA 11 1HB ALA 11 3.701 8.127 4.841
69 2HB ALA 11 2HB ALA 11 1.939 8.093 4.887
70 3HB ALA 11 3HB ALA 11 2.771 9.071 3.678
71 HA PRO 12 HA PRO 12 5.326 4.677 5.844
72 1HB PRO 12 2HB PRO 12 3.503 2.909 7.025
73 2HB PRO 12 1HB PRO 12 4.185 4.355 7.775
74 1HG PRO 12 2HG PRO 12 1.550 3.976 6.437
75 2HG PRO 12 1HG PRO 12 1.967 4.969 7.845
76 1HD PRO 12 2HD PRO 12 1.548 6.070 5.439
77 2HD PRO 12 1HD PRO 12 2.799 6.697 6.534
78 H CYS 13 H CYS 13 2.698 3.605 3.832
79 HA CYS 13 HA CYS 13 3.898 1.003 3.404
80 1HB CYS 13 2HB CYS 13 1.308 1.980 3.312
81 2HB CYS 13 1HB CYS 13 1.714 1.588 1.654
82 H ARG 14 H ARG 14 3.107 3.895 1.477
83 HA ARG 14 HA ARG 14 4.022 3.055 -0.965
84 1HB ARG 14 2HB ARG 14 2.922 5.189 -0.729
85 2HB ARG 14 1HB ARG 14 4.227 5.799 0.278
86 1HG ARG 14 2HG ARG 14 5.484 5.027 -2.069
87 2HG ARG 14 1HG ARG 14 3.969 5.755 -2.602
88 1HD ARG 14 2HD ARG 14 4.469 7.744 -1.247
89 2HD ARG 14 1HD ARG 14 5.999 7.015 -0.760
90 HE ARG 14 HE ARG 14 6.884 7.683 -2.750
91 1HH1 ARG 14 1HH1 ARG 14 3.408 7.618 -3.067
92 2HH1 ARG 14 2HH1 ARG 14 3.416 8.295 -4.661
93 1HH2 ARG 14 1HH2 ARG 14 6.895 8.574 -4.846
94 2HH2 ARG 14 2HH2 ARG 14 5.396 8.838 -5.671
95 H LYS 15 H LYS 15 5.845 4.079 1.827
96 HA LYS 15 HA LYS 15 8.359 4.386 0.600
97 1HB LYS 15 2HB LYS 15 7.307 4.221 3.301
98 2HB LYS 15 1HB LYS 15 8.849 3.388 3.167
99 1HG LYS 15 2HG LYS 15 9.639 5.448 3.633
100 2HG LYS 15 1HG LYS 15 9.485 5.638 1.885
101 1HD LYS 15 2HD LYS 15 7.395 6.769 2.118
102 2HD LYS 15 1HD LYS 15 7.316 6.385 3.839
103 1HE LYS 15 2HE LYS 15 8.135 8.474 4.068
104 2HE LYS 15 1HE LYS 15 9.676 7.679 3.749
105 1HZ LYS 15 1HZ LYS 15 8.006 8.816 1.585
106 2HZ LYS 15 2HZ LYS 15 9.636 8.371 1.522
107 3HZ LYS 15 3HZ LYS 15 9.167 9.733 2.406
108 H GLN 16 H GLN 16 6.823 1.584 2.161
109 HA GLN 16 HA GLN 16 8.984 -0.193 1.633
110 1HB GLN 16 2HB GLN 16 6.863 -0.302 3.283
111 2HB GLN 16 1HB GLN 16 6.250 -1.293 1.965
112 1HG GLN 16 2HG GLN 16 7.617 -2.999 2.443
113 2HG GLN 16 1HG GLN 16 8.979 -1.940 2.807
114 1HE2 GLN 16 1HE2 GLN 16 8.183 -0.449 4.846
115 2HE2 GLN 16 2HE2 GLN 16 7.772 -1.415 6.218
116 H THR 17 H THR 17 5.779 0.200 0.126
117 HA THR 17 HA THR 17 6.243 -1.717 -1.908
118 HB THR 17 HB THR 17 4.198 0.473 -1.597
119 HG1 THR 17 1HG THR 17 4.220 -1.490 -0.233
120 1HG2 THR 17 1HG2 THR 17 2.904 -0.506 -3.364
121 2HG2 THR 17 2HG2 THR 17 4.147 -1.724 -3.647
122 3HG2 THR 17 3HG2 THR 17 4.481 -0.029 -3.992
123 H GLY 18 H GLY 18 5.850 1.786 -2.191
124 1HA GLY 18 2HA GLY 18 7.698 2.984 -3.327
125 2HA GLY 18 1HA GLY 18 7.598 1.709 -4.507
126 H CYS 19 H CYS 19 6.473 2.087 -6.224
127 HA CYS 19 HA CYS 19 5.479 4.219 -7.255
128 1HB CYS 19 2HB CYS 19 3.615 2.842 -8.294
129 2HB CYS 19 1HB CYS 19 5.293 2.467 -8.611
130 HA PRO 20 HA PRO 20 2.277 6.234 -4.990
131 1HB PRO 20 2HB PRO 20 0.975 6.627 -7.638
132 2HB PRO 20 1HB PRO 20 1.388 7.815 -6.396
133 1HG PRO 20 2HG PRO 20 2.847 7.614 -8.608
134 2HG PRO 20 1HG PRO 20 3.618 7.904 -7.037
135 1HD PRO 20 2HD PRO 20 3.461 5.386 -8.638
136 2HD PRO 20 1HD PRO 20 4.793 6.014 -7.645
137 H TYR 21 H TYR 21 1.576 3.534 -7.049
138 HA TYR 21 HA TYR 21 -1.196 3.396 -6.622
139 1HB TYR 21 2HB TYR 21 0.306 0.891 -7.074
140 2HB TYR 21 1HB TYR 21 -1.089 1.542 -7.896
141 HD1 TYR 21 1HD TYR 21 1.887 0.385 -8.692
142 HD2 TYR 21 2HD TYR 21 -0.201 4.084 -8.942
143 HE1 TYR 21 1HE TYR 21 3.298 1.045 -10.595
144 HE2 TYR 21 2HE TYR 21 1.205 4.755 -10.845
145 HH TYR 21 HH TYR 21 4.042 3.106 -11.707
146 H GLY 22 H GLY 22 -2.259 1.577 -5.465
147 1HA GLY 22 2HA GLY 22 -0.911 0.320 -3.272
148 2HA GLY 22 1HA GLY 22 -1.902 1.665 -2.750
149 H LYS 23 H LYS 23 -2.316 -1.081 -1.987
150 HA LYS 23 HA LYS 23 -4.777 -1.706 -3.455
151 1HB LYS 23 2HB LYS 23 -2.715 -3.346 -2.178
152 2HB LYS 23 1HB LYS 23 -4.349 -3.823 -1.740
153 1HG LYS 23 2HG LYS 23 -4.670 -3.604 -4.381
154 2HG LYS 23 1HG LYS 23 -2.951 -3.996 -4.334
155 1HD LYS 23 2HD LYS 23 -5.072 -5.590 -2.905
156 2HD LYS 23 1HD LYS 23 -4.482 -5.975 -4.522
157 1HE LYS 23 2HE LYS 23 -2.153 -6.001 -3.484
158 2HE LYS 23 1HE LYS 23 -2.974 -6.013 -1.923
159 1HZ LYS 23 1HZ LYS 23 -2.749 -8.117 -3.916
160 2HZ LYS 23 2HZ LYS 23 -4.247 -7.991 -3.142
161 3HZ LYS 23 3HZ LYS 23 -2.843 -8.226 -2.230
162 H CYS 24 H CYS 24 -4.143 0.287 -1.230
163 HA CYS 24 HA CYS 24 -5.632 -0.607 1.039
164 1HB CYS 24 2HB CYS 24 -5.181 1.543 1.961
165 2HB CYS 24 1HB CYS 24 -3.741 1.064 1.079
166 H MET 25 H MET 25 -7.646 0.006 1.704
167 HA MET 25 HA MET 25 -9.311 1.711 0.058
168 1HB MET 25 2HB MET 25 -11.087 -0.122 -0.053
169 2HB MET 25 1HB MET 25 -9.725 -0.268 -1.155
170 1HG MET 25 2HG MET 25 -8.802 -2.039 0.012
171 2HG MET 25 1HG MET 25 -9.677 -1.649 1.493
172 1HE MET 25 1HE MET 25 -10.775 -3.352 -2.352
173 2HE MET 25 2HE MET 25 -10.364 -4.747 -1.355
174 3HE MET 25 3HE MET 25 -9.230 -3.405 -1.503
175 H ASN 26 H ASN 26 -11.169 2.403 1.095
176 HA ASN 26 HA ASN 26 -11.060 2.967 3.751
177 1HB ASN 26 2HB ASN 26 -13.813 2.403 2.843
178 2HB ASN 26 1HB ASN 26 -13.146 3.850 3.580
179 1HD2 ASN 26 1HD2 ASN 26 -13.628 2.115 0.596
180 2HD2 ASN 26 2HD2 ASN 26 -13.343 3.454 -0.458
181 H ARG 27 H ARG 27 -10.988 1.797 5.505
182 HA ARG 27 HA ARG 27 -11.506 0.254 7.100
183 1HB ARG 27 2HB ARG 27 -13.836 0.345 5.650
184 2HB ARG 27 1HB ARG 27 -13.397 -1.355 5.537
185 1HG ARG 27 2HG ARG 27 -13.051 -0.501 8.232
186 2HG ARG 27 1HG ARG 27 -14.648 -0.002 7.674
187 1HD ARG 27 2HD ARG 27 -14.788 -2.429 6.750
188 2HD ARG 27 1HD ARG 27 -13.490 -2.750 7.899
189 HE ARG 27 HE ARG 27 -16.258 -2.265 8.500
190 1HH1 ARG 27 1HH1 ARG 27 -12.998 -2.138 9.738
191 2HH1 ARG 27 2HH1 ARG 27 -13.490 -2.251 11.395
192 1HH2 ARG 27 1HH2 ARG 27 -16.907 -2.411 10.677
193 2HH2 ARG 27 2HH2 ARG 27 -15.709 -2.406 11.928
194 H LYS 28 H LYS 28 -9.518 -0.062 4.996
195 HA LYS 28 HA LYS 28 -8.439 -2.501 5.641
196 1HB LYS 28 2HB LYS 28 -10.542 -2.751 3.626
197 2HB LYS 28 1HB LYS 28 -9.007 -3.422 3.093
198 1HG LYS 28 2HG LYS 28 -9.901 -4.150 5.813
199 2HG LYS 28 1HG LYS 28 -10.814 -4.822 4.461
200 1HD LYS 28 2HD LYS 28 -8.637 -5.597 3.493
201 2HD LYS 28 1HD LYS 28 -7.859 -5.093 4.994
202 1HE LYS 28 2HE LYS 28 -10.221 -6.903 5.135
203 2HE LYS 28 1HE LYS 28 -8.668 -7.574 4.640
204 1HZ LYS 28 1HZ LYS 28 -9.257 -7.595 7.110
205 2HZ LYS 28 2HZ LYS 28 -8.906 -5.941 7.087
206 3HZ LYS 28 3HZ LYS 28 -7.710 -7.063 6.676
207 H CYS 29 H CYS 29 -6.660 -1.158 5.567
208 HA CYS 29 HA CYS 29 -5.773 0.017 3.115
209 1HB CYS 29 2HB CYS 29 -5.399 0.813 5.549
210 2HB CYS 29 1HB CYS 29 -4.039 -0.280 5.489
211 H LYS 30 H LYS 30 -3.614 -0.423 2.232
212 HA LYS 30 HA LYS 30 -1.900 -2.434 2.735
213 1HB LYS 30 2HB LYS 30 -2.741 -4.259 1.109
214 2HB LYS 30 1HB LYS 30 -3.416 -4.201 2.729
215 1HG LYS 30 2HG LYS 30 -5.068 -2.562 1.183
216 2HG LYS 30 1HG LYS 30 -4.734 -3.978 0.186
217 1HD LYS 30 2HD LYS 30 -5.226 -5.157 2.567
218 2HD LYS 30 1HD LYS 30 -6.268 -3.739 2.689
219 1HE LYS 30 2HE LYS 30 -6.263 -5.571 0.303
220 2HE LYS 30 1HE LYS 30 -7.317 -5.816 1.695
221 1HZ LYS 30 1HZ LYS 30 -8.617 -4.602 0.239
222 2HZ LYS 30 2HZ LYS 30 -7.338 -3.620 -0.273
223 3HZ LYS 30 3HZ LYS 30 -8.012 -3.399 1.263
224 H CYS 31 H CYS 31 -0.539 -1.047 1.689
225 HA CYS 31 HA CYS 31 -0.697 0.203 -0.748
226 1HB CYS 31 2HB CYS 31 1.852 -0.359 -0.895
227 2HB CYS 31 1HB CYS 31 1.245 0.732 0.338
228 H ASN 32 H ASN 32 0.701 -0.308 -2.608
229 HA ASN 32 HA ASN 32 -0.428 -2.613 -3.911
230 1HB ASN 32 2HB ASN 32 0.004 -0.196 -4.787
231 2HB ASN 32 1HB ASN 32 1.585 -0.836 -5.152
232 1HD2 ASN 32 1HD2 ASN 32 -1.715 -2.103 -5.383
233 2HD2 ASN 32 2HD2 ASN 32 -1.607 -2.566 -7.044
234 H ARG 33 H ARG 33 1.156 -3.654 -5.573
235 HA ARG 33 HA ARG 33 3.481 -4.643 -4.059
236 1HB ARG 33 2HB ARG 33 1.420 -6.142 -4.953
237 2HB ARG 33 1HB ARG 33 2.461 -6.203 -6.368
238 1HG ARG 33 2HG ARG 33 2.945 -8.101 -5.022
239 2HG ARG 33 1HG ARG 33 4.307 -6.988 -4.888
240 1HD ARG 33 2HD ARG 33 4.007 -7.523 -2.684
241 2HD ARG 33 1HD ARG 33 2.957 -6.113 -2.806
242 HE ARG 33 HE ARG 33 1.144 -7.470 -2.461
243 1HH1 ARG 33 1HH1 ARG 33 3.916 -9.449 -3.217
244 2HH1 ARG 33 2HH1 ARG 33 3.115 -10.937 -2.838
245 1HH2 ARG 33 1HH2 ARG 33 0.088 -9.426 -1.961
246 2HH2 ARG 33 2HH2 ARG 33 0.942 -10.924 -2.125
247 H CYS 34 H CYS 34 4.913 -3.097 -4.764
248 HA CYS 34 HA CYS 34 5.339 -2.764 -7.615
249 1HB CYS 34 2HB CYS 34 5.434 -1.052 -5.494
250 2HB CYS 34 1HB CYS 34 7.126 -1.336 -5.846
Start of MODEL 20
1 1H VAL 1 1HT VAL 1 -9.458 6.841 -3.533
2 2H VAL 1 2HT VAL 1 -9.359 7.043 -5.230
3 3H VAL 1 3HT VAL 1 -9.268 5.472 -4.549
4 HA VAL 1 HA VAL 1 -11.569 7.201 -4.309
5 HB VAL 1 HB VAL 1 -11.163 4.866 -6.005
6 1HG1 VAL 1 1HG1 VAL 1 -13.518 6.594 -5.517
7 2HG1 VAL 1 2HG1 VAL 1 -13.440 4.861 -5.831
8 3HG1 VAL 1 3HG1 VAL 1 -13.304 6.006 -7.166
9 1HG2 VAL 1 1HG2 VAL 1 -10.658 7.691 -6.606
10 2HG2 VAL 1 2HG2 VAL 1 -11.539 6.817 -7.859
11 3HG2 VAL 1 3HG2 VAL 1 -9.961 6.239 -7.324
12 H SER 2 H SER 2 -10.029 5.466 -2.932
13 HA SER 2 HA SER 2 -11.849 4.347 -1.104
14 1HB SER 2 2HB SER 2 -10.619 2.441 -3.086
15 2HB SER 2 1HB SER 2 -11.116 1.900 -1.483
16 HG SER 2 HG SER 2 -12.715 2.985 -3.547
17 H CYS 3 H CYS 3 -10.905 3.877 0.825
18 HA CYS 3 HA CYS 3 -8.368 2.939 1.361
19 1HB CYS 3 2HB CYS 3 -8.129 5.503 0.321
20 2HB CYS 3 1HB CYS 3 -7.947 5.714 2.039
21 H THR 4 H THR 4 -7.547 4.367 3.401
22 HA THR 4 HA THR 4 -9.576 3.757 5.411
23 HB THR 4 HB THR 4 -7.426 2.809 5.850
24 HG1 THR 4 1HG THR 4 -8.588 3.886 7.626
25 1HG2 THR 4 1HG2 THR 4 -5.943 4.161 4.577
26 2HG2 THR 4 2HG2 THR 4 -5.437 4.244 6.264
27 3HG2 THR 4 3HG2 THR 4 -6.324 5.587 5.542
28 H GLY 5 H GLY 5 -9.635 6.223 3.690
29 1HA GLY 5 2HA GLY 5 -10.057 8.472 3.899
30 2HA GLY 5 1HA GLY 5 -10.750 8.016 5.446
31 H SER 6 H SER 6 -7.366 7.514 4.809
32 HA SER 6 HA SER 6 -6.714 9.874 6.441
33 1HB SER 6 2HB SER 6 -5.041 7.424 6.744
34 2HB SER 6 1HB SER 6 -5.413 8.686 7.919
35 HG SER 6 HG SER 6 -7.629 7.765 7.832
36 H LYS 7 H LYS 7 -4.138 10.055 6.424
37 HA LYS 7 HA LYS 7 -3.221 9.682 3.654
38 1HB LYS 7 2HB LYS 7 -2.057 11.926 3.913
39 2HB LYS 7 1HB LYS 7 -3.804 11.972 3.720
40 1HG LYS 7 2HG LYS 7 -3.437 13.495 5.413
41 2HG LYS 7 1HG LYS 7 -3.853 12.028 6.303
42 1HD LYS 7 2HD LYS 7 -0.992 12.359 5.706
43 2HD LYS 7 1HD LYS 7 -1.673 13.560 6.806
44 1HE LYS 7 2HE LYS 7 -2.442 10.768 7.339
45 2HE LYS 7 1HE LYS 7 -0.736 11.141 7.577
46 1HZ LYS 7 1HZ LYS 7 -2.574 11.506 9.447
47 2HZ LYS 7 2HZ LYS 7 -2.639 13.027 8.711
48 3HZ LYS 7 3HZ LYS 7 -1.176 12.454 9.339
49 H ASP 8 H ASP 8 -2.695 8.172 6.119
50 HA ASP 8 HA ASP 8 0.226 8.517 6.187
51 1HB ASP 8 2HB ASP 8 -0.930 9.288 8.302
52 2HB ASP 8 1HB ASP 8 -1.427 7.616 8.549
53 H CYS 9 H CYS 9 -1.537 6.760 4.590
54 HA CYS 9 HA CYS 9 -0.708 4.139 5.609
55 1HB CYS 9 2HB CYS 9 -3.174 4.821 4.964
56 2HB CYS 9 1HB CYS 9 -2.609 4.353 3.373
57 H TYR 10 H TYR 10 -1.337 5.582 2.436
58 HA TYR 10 HA TYR 10 0.276 3.913 0.936
59 1HB TYR 10 2HB TYR 10 -0.630 6.748 0.569
60 2HB TYR 10 1HB TYR 10 0.488 6.031 -0.584
61 HD1 TYR 10 1HD TYR 10 -1.683 3.560 0.761
62 HD2 TYR 10 2HD TYR 10 -1.494 6.678 -2.129
63 HE1 TYR 10 1HE TYR 10 -3.573 2.553 -0.443
64 HE2 TYR 10 2HE TYR 10 -3.386 5.678 -3.340
65 HH TYR 10 HH TYR 10 -5.430 4.045 -2.534
66 H ALA 11 H ALA 11 1.191 6.462 3.084
67 HA ALA 11 HA ALA 11 3.766 6.977 1.998
68 1HB ALA 11 1HB ALA 11 2.346 7.672 4.509
69 2HB ALA 11 2HB ALA 11 3.127 8.715 3.322
70 3HB ALA 11 3HB ALA 11 4.103 7.817 4.484
71 HA PRO 12 HA PRO 12 5.460 4.262 5.718
72 1HB PRO 12 2HB PRO 12 3.507 2.383 6.468
73 2HB PRO 12 1HB PRO 12 4.058 3.761 7.420
74 1HG PRO 12 2HG PRO 12 1.643 3.483 5.712
75 2HG PRO 12 1HG PRO 12 1.866 4.407 7.207
76 1HD PRO 12 2HD PRO 12 1.767 5.613 4.810
77 2HD PRO 12 1HD PRO 12 2.836 6.201 6.102
78 H CYS 13 H CYS 13 3.183 3.173 3.299
79 HA CYS 13 HA CYS 13 4.617 0.676 2.902
80 1HB CYS 13 2HB CYS 13 2.036 1.770 2.035
81 2HB CYS 13 1HB CYS 13 2.834 0.678 0.920
82 H ARG 14 H ARG 14 3.834 3.597 1.029
83 HA ARG 14 HA ARG 14 5.108 2.960 -1.307
84 1HB ARG 14 2HB ARG 14 3.805 4.986 -1.110
85 2HB ARG 14 1HB ARG 14 4.934 5.646 0.064
86 1HG ARG 14 2HG ARG 14 6.479 5.062 -2.182
87 2HG ARG 14 1HG ARG 14 4.990 5.768 -2.811
88 1HD ARG 14 2HD ARG 14 5.512 7.435 -0.741
89 2HD ARG 14 1HD ARG 14 7.147 6.990 -1.227
90 HE ARG 14 HE ARG 14 5.970 7.636 -3.571
91 1HH1 ARG 14 1HH1 ARG 14 6.233 9.286 -0.508
92 2HH1 ARG 14 2HH1 ARG 14 6.200 10.866 -1.215
93 1HH2 ARG 14 1HH2 ARG 14 5.926 9.714 -4.503
94 2HH2 ARG 14 2HH2 ARG 14 6.025 11.109 -3.482
95 H LYS 15 H LYS 15 6.496 4.063 1.717
96 HA LYS 15 HA LYS 15 9.097 4.598 0.841
97 1HB LYS 15 2HB LYS 15 7.761 4.142 3.377
98 2HB LYS 15 1HB LYS 15 9.361 3.412 3.367
99 1HG LYS 15 2HG LYS 15 9.666 5.573 4.216
100 2HG LYS 15 1HG LYS 15 10.218 5.652 2.542
101 1HD LYS 15 2HD LYS 15 7.638 6.312 2.199
102 2HD LYS 15 1HD LYS 15 7.884 6.920 3.839
103 1HE LYS 15 2HE LYS 15 8.362 8.693 2.305
104 2HE LYS 15 1HE LYS 15 9.883 8.151 3.011
105 1HZ LYS 15 1HZ LYS 15 10.541 7.166 1.051
106 2HZ LYS 15 2HZ LYS 15 9.732 8.537 0.481
107 3HZ LYS 15 3HZ LYS 15 8.967 7.030 0.447
108 H GLN 16 H GLN 16 7.587 1.597 1.980
109 HA GLN 16 HA GLN 16 9.901 -0.013 1.551
110 1HB GLN 16 2HB GLN 16 7.045 -0.495 2.232
111 2HB GLN 16 1HB GLN 16 7.958 -1.842 1.569
112 1HG GLN 16 2HG GLN 16 7.935 -1.796 4.030
113 2HG GLN 16 1HG GLN 16 9.559 -1.707 3.350
114 1HE2 GLN 16 1HE2 GLN 16 10.671 -0.585 4.808
115 2HE2 GLN 16 2HE2 GLN 16 10.243 0.979 5.406
116 H THR 17 H THR 17 6.761 0.041 -0.158
117 HA THR 17 HA THR 17 7.714 -1.478 -2.349
118 HB THR 17 HB THR 17 5.393 -0.045 -3.091
119 HG1 THR 17 1HG THR 17 4.375 0.298 -1.314
120 1HG2 THR 17 1HG2 THR 17 5.602 -2.802 -1.913
121 2HG2 THR 17 2HG2 THR 17 5.821 -2.397 -3.615
122 3HG2 THR 17 3HG2 THR 17 4.252 -2.159 -2.846
123 H GLY 18 H GLY 18 6.502 1.839 -2.300
124 1HA GLY 18 2HA GLY 18 7.539 3.729 -3.219
125 2HA GLY 18 1HA GLY 18 8.587 2.675 -4.109
126 H CYS 19 H CYS 19 5.714 4.354 -4.049
127 HA CYS 19 HA CYS 19 5.235 4.943 -6.526
128 1HB CYS 19 2HB CYS 19 3.621 3.249 -7.408
129 2HB CYS 19 1HB CYS 19 5.325 2.864 -7.465
130 HA PRO 20 HA PRO 20 1.619 6.586 -4.632
131 1HB PRO 20 2HB PRO 20 0.173 7.401 -6.742
132 2HB PRO 20 1HB PRO 20 1.709 8.161 -6.310
133 1HG PRO 20 2HG PRO 20 1.137 6.115 -8.420
134 2HG PRO 20 1HG PRO 20 2.155 7.564 -8.513
135 1HD PRO 20 2HD PRO 20 3.140 5.047 -8.106
136 2HD PRO 20 1HD PRO 20 3.942 6.520 -7.525
137 H TYR 21 H TYR 21 1.332 3.784 -6.595
138 HA TYR 21 HA TYR 21 -1.463 3.478 -6.551
139 1HB TYR 21 2HB TYR 21 0.208 1.051 -6.631
140 2HB TYR 21 1HB TYR 21 -1.053 1.596 -7.709
141 HD1 TYR 21 1HD TYR 21 2.126 0.608 -7.831
142 HD2 TYR 21 2HD TYR 21 -0.163 4.053 -8.828
143 HE1 TYR 21 1HE TYR 21 3.815 1.239 -9.503
144 HE2 TYR 21 2HE TYR 21 1.520 4.694 -10.503
145 HH TYR 21 HH TYR 21 3.838 4.312 -11.023
146 H GLY 22 H GLY 22 -2.586 1.687 -5.429
147 1HA GLY 22 2HA GLY 22 -1.486 0.573 -3.045
148 2HA GLY 22 1HA GLY 22 -2.546 1.911 -2.683
149 H LYS 23 H LYS 23 -2.876 -0.942 -2.006
150 HA LYS 23 HA LYS 23 -5.202 -1.623 -3.643
151 1HB LYS 23 2HB LYS 23 -3.154 -3.213 -2.778
152 2HB LYS 23 1HB LYS 23 -4.375 -3.520 -1.552
153 1HG LYS 23 2HG LYS 23 -5.901 -4.358 -3.124
154 2HG LYS 23 1HG LYS 23 -4.989 -3.700 -4.483
155 1HD LYS 23 2HD LYS 23 -4.387 -5.920 -4.575
156 2HD LYS 23 1HD LYS 23 -3.091 -5.256 -3.579
157 1HE LYS 23 2HE LYS 23 -5.500 -6.173 -2.142
158 2HE LYS 23 1HE LYS 23 -4.527 -7.430 -2.906
159 1HZ LYS 23 1HZ LYS 23 -2.720 -6.957 -1.584
160 2HZ LYS 23 2HZ LYS 23 -3.996 -6.699 -0.505
161 3HZ LYS 23 3HZ LYS 23 -3.230 -5.381 -1.236
162 H CYS 24 H CYS 24 -4.610 0.202 -1.092
163 HA CYS 24 HA CYS 24 -6.161 -0.610 1.021
164 1HB CYS 24 2HB CYS 24 -6.081 1.612 1.766
165 2HB CYS 24 1HB CYS 24 -4.641 1.435 0.785
166 H MET 25 H MET 25 -8.231 -1.015 1.292
167 HA MET 25 HA MET 25 -10.165 0.134 -0.614
168 1HB MET 25 2HB MET 25 -9.768 -2.403 -0.622
169 2HB MET 25 1HB MET 25 -10.582 -2.415 0.937
170 1HG MET 25 2HG MET 25 -12.562 -1.407 -0.113
171 2HG MET 25 1HG MET 25 -11.745 -1.470 -1.672
172 1HE MET 25 1HE MET 25 -12.619 -4.702 -3.065
173 2HE MET 25 2HE MET 25 -10.975 -4.137 -2.761
174 3HE MET 25 3HE MET 25 -12.230 -2.989 -3.230
175 H ASN 26 H ASN 26 -12.089 0.931 0.159
176 HA ASN 26 HA ASN 26 -12.140 2.353 2.476
177 1HB ASN 26 2HB ASN 26 -14.766 1.923 2.313
178 2HB ASN 26 1HB ASN 26 -13.908 2.961 1.184
179 1HD2 ASN 26 1HD2 ASN 26 -15.813 0.187 1.574
180 2HD2 ASN 26 2HD2 ASN 26 -15.792 -0.356 -0.067
181 H ARG 27 H ARG 27 -12.140 1.920 4.534
182 HA ARG 27 HA ARG 27 -12.564 0.939 6.549
183 1HB ARG 27 2HB ARG 27 -14.759 0.177 5.078
184 2HB ARG 27 1HB ARG 27 -14.094 -1.369 5.586
185 1HG ARG 27 2HG ARG 27 -14.089 0.396 7.818
186 2HG ARG 27 1HG ARG 27 -15.685 0.433 7.066
187 1HD ARG 27 2HD ARG 27 -15.431 -2.160 7.048
188 2HD ARG 27 1HD ARG 27 -14.213 -1.866 8.288
189 HE ARG 27 HE ARG 27 -16.720 -0.556 8.798
190 1HH1 ARG 27 1HH1 ARG 27 -14.912 -3.518 9.173
191 2HH1 ARG 27 2HH1 ARG 27 -15.832 -4.053 10.538
192 1HH2 ARG 27 1HH2 ARG 27 -17.931 -1.259 10.595
193 2HH2 ARG 27 2HH2 ARG 27 -17.546 -2.771 11.345
194 H LYS 28 H LYS 28 -10.405 0.235 4.724
195 HA LYS 28 HA LYS 28 -9.036 -1.638 6.183
196 1HB LYS 28 2HB LYS 28 -10.955 -2.884 4.362
197 2HB LYS 28 1HB LYS 28 -9.311 -3.455 4.116
198 1HG LYS 28 2HG LYS 28 -10.229 -3.327 6.913
199 2HG LYS 28 1HG LYS 28 -11.010 -4.530 5.886
200 1HD LYS 28 2HD LYS 28 -8.532 -5.064 5.185
201 2HD LYS 28 1HD LYS 28 -8.159 -4.312 6.738
202 1HE LYS 28 2HE LYS 28 -9.168 -5.977 7.941
203 2HE LYS 28 1HE LYS 28 -10.302 -6.371 6.650
204 1HZ LYS 28 1HZ LYS 28 -7.410 -6.936 6.403
205 2HZ LYS 28 2HZ LYS 28 -8.689 -7.596 5.516
206 3HZ LYS 28 3HZ LYS 28 -8.469 -8.034 7.135
207 H CYS 29 H CYS 29 -7.305 -0.360 5.692
208 HA CYS 29 HA CYS 29 -6.578 0.336 3.040
209 1HB CYS 29 2HB CYS 29 -6.011 1.552 5.227
210 2HB CYS 29 1HB CYS 29 -4.710 0.387 5.345
211 H LYS 30 H LYS 30 -4.440 -0.204 2.093
212 HA LYS 30 HA LYS 30 -2.795 -2.254 2.829
213 1HB LYS 30 2HB LYS 30 -3.649 -4.109 1.278
214 2HB LYS 30 1HB LYS 30 -4.453 -3.905 2.826
215 1HG LYS 30 2HG LYS 30 -6.128 -2.451 1.520
216 2HG LYS 30 1HG LYS 30 -5.436 -3.218 0.090
217 1HD LYS 30 2HD LYS 30 -5.900 -5.435 1.220
218 2HD LYS 30 1HD LYS 30 -6.848 -4.529 2.400
219 1HE LYS 30 2HE LYS 30 -8.543 -4.931 0.974
220 2HE LYS 30 1HE LYS 30 -7.870 -3.558 0.096
221 1HZ LYS 30 1HZ LYS 30 -7.097 -4.872 -1.544
222 2HZ LYS 30 2HZ LYS 30 -8.320 -5.917 -1.022
223 3HZ LYS 30 3HZ LYS 30 -6.725 -6.161 -0.514
224 H CYS 31 H CYS 31 -1.367 -0.905 1.837
225 HA CYS 31 HA CYS 31 -1.260 0.317 -0.574
226 1HB CYS 31 2HB CYS 31 1.231 -0.415 -0.601
227 2HB CYS 31 1HB CYS 31 0.642 0.603 0.708
228 H ASN 32 H ASN 32 0.007 -0.222 -2.469
229 HA ASN 32 HA ASN 32 -1.192 -2.482 -3.777
230 1HB ASN 32 2HB ASN 32 -0.682 -0.078 -4.642
231 2HB ASN 32 1HB ASN 32 0.872 -0.766 -5.019
232 1HD2 ASN 32 1HD2 ASN 32 0.987 -1.245 -7.090
233 2HD2 ASN 32 2HD2 ASN 32 -0.266 -1.962 -8.039
234 H ARG 33 H ARG 33 0.317 -3.584 -5.453
235 HA ARG 33 HA ARG 33 2.601 -4.693 -3.967
236 1HB ARG 33 2HB ARG 33 0.864 -6.338 -4.542
237 2HB ARG 33 1HB ARG 33 1.003 -5.901 -6.239
238 1HG ARG 33 2HG ARG 33 2.165 -7.990 -5.719
239 2HG ARG 33 1HG ARG 33 3.270 -6.745 -6.305
240 1HD ARG 33 2HD ARG 33 2.888 -6.862 -3.384
241 2HD ARG 33 1HD ARG 33 3.715 -8.241 -4.106
242 HE ARG 33 HE ARG 33 4.736 -5.578 -3.799
243 1HH1 ARG 33 1HH1 ARG 33 4.954 -8.509 -5.682
244 2HH1 ARG 33 2HH1 ARG 33 6.576 -8.200 -6.204
245 1HH2 ARG 33 1HH2 ARG 33 6.869 -5.171 -4.485
246 2HH2 ARG 33 2HH2 ARG 33 7.664 -6.307 -5.524
247 H CYS 34 H CYS 34 3.957 -3.014 -4.563
248 HA CYS 34 HA CYS 34 4.497 -2.469 -7.328
249 1HB CYS 34 2HB CYS 34 4.736 -1.101 -4.961
250 2HB CYS 34 1HB CYS 34 6.389 -1.408 -5.442
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