Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
26235 | 2kgg RC | 16209 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA SER 1 HA SER 1 -12.080 6.721 3.936
2 HB2 SER 1 2HB SER 1 -12.556 3.719 3.894
3 HB3 SER 1 1HB SER 1 -11.160 4.493 4.646
4 HG SER 1 HG SER 1 -12.481 4.422 6.296
5 H VAL 2 H VAL 2 -10.536 7.407 2.696
6 HA VAL 2 HA VAL 2 -9.784 5.906 0.277
7 HB VAL 2 HB VAL 2 -9.208 8.807 0.998
8 HG11 VAL 2 1HG1 VAL 2 -8.848 7.303 -1.587
9 HG12 VAL 2 2HG1 VAL 2 -7.569 7.885 -0.529
10 HG13 VAL 2 3HG1 VAL 2 -8.608 9.038 -1.367
11 HG21 VAL 2 3HG2 VAL 2 -11.614 8.496 0.680
12 HG22 VAL 2 1HG2 VAL 2 -11.323 7.718 -0.879
13 HG23 VAL 2 2HG2 VAL 2 -10.908 9.406 -0.661
14 H CYS 3 H CYS 3 -7.622 5.098 0.193
15 HA CYS 3 HA CYS 3 -6.109 5.353 2.632
16 HB2 CYS 3 2HB CYS 3 -5.158 3.357 2.004
17 HB3 CYS 3 1HB CYS 3 -6.498 3.266 0.890
18 H ALA 4 H ALA 4 -3.520 5.355 1.907
19 HA ALA 4 HA ALA 4 -3.156 7.982 0.714
20 HB1 ALA 4 1HB ALA 4 -0.846 7.787 1.575
21 HB2 ALA 4 2HB ALA 4 -1.185 6.151 2.101
22 HB3 ALA 4 3HB ALA 4 -2.037 7.507 2.843
23 H ALA 5 H ALA 5 -2.876 8.018 -1.417
24 HA ALA 5 HA ALA 5 -0.587 7.020 -2.652
25 HB1 ALA 5 1HB ALA 5 -1.796 4.853 -2.731
26 HB2 ALA 5 2HB ALA 5 -1.618 5.464 -4.359
27 HB3 ALA 5 3HB ALA 5 -3.160 5.643 -3.511
28 H GLN 6 H GLN 6 -0.167 8.470 -4.339
29 HA GLN 6 HA GLN 6 -1.676 10.651 -4.951
30 HB2 GLN 6 2HB GLN 6 0.229 9.140 -6.764
31 HB3 GLN 6 1HB GLN 6 -0.409 10.735 -7.127
32 HG2 GLN 6 2HG GLN 6 0.677 11.589 -5.110
33 HG3 GLN 6 1HG GLN 6 1.308 9.981 -4.772
34 HE21 GLN 6 1HE2 GLN 6 2.721 12.498 -5.351
35 HE22 GLN 6 2HE2 GLN 6 3.734 12.141 -6.705
36 H ASN 7 H ASN 7 -1.897 7.554 -6.344
37 HA ASN 7 HA ASN 7 -4.530 8.312 -7.447
38 HB2 ASN 7 2HB ASN 7 -2.924 8.126 -9.338
39 HB3 ASN 7 1HB ASN 7 -2.609 6.462 -8.892
40 HD21 ASN 7 1HD2 ASN 7 -4.146 4.898 -9.294
41 HD22 ASN 7 2HD2 ASN 7 -5.495 5.173 -10.345
42 H CYS 8 H CYS 8 -5.638 7.382 -5.712
43 HA CYS 8 HA CYS 8 -5.064 4.609 -5.395
44 HB2 CYS 8 2HB CYS 8 -5.197 5.765 -3.253
45 HB3 CYS 8 1HB CYS 8 -6.804 6.364 -3.659
46 H GLN 9 H GLN 9 -6.125 3.198 -6.374
47 HA GLN 9 HA GLN 9 -8.415 3.595 -8.011
48 HB2 GLN 9 2HB GLN 9 -7.224 1.033 -6.944
49 HB3 GLN 9 1HB GLN 9 -8.307 1.167 -8.303
50 HG2 GLN 9 2HG GLN 9 -6.584 2.415 -9.560
51 HG3 GLN 9 1HG GLN 9 -5.551 2.325 -8.148
52 HE21 GLN 9 1HE2 GLN 9 -3.967 1.234 -9.311
53 HE22 GLN 9 2HE2 GLN 9 -4.161 -0.419 -9.747
54 H ARG 10 H ARG 10 -8.099 3.284 -4.722
55 HA ARG 10 HA ARG 10 -9.303 2.582 -2.941
56 HB2 ARG 10 2HB ARG 10 -11.278 3.909 -4.747
57 HB3 ARG 10 1HB ARG 10 -11.733 3.362 -3.127
58 HG2 ARG 10 2HG ARG 10 -10.184 4.826 -2.104
59 HG3 ARG 10 1HG ARG 10 -9.376 5.170 -3.629
60 HD2 ARG 10 2HD ARG 10 -12.225 5.857 -3.048
61 HD3 ARG 10 1HD ARG 10 -10.873 6.962 -2.780
62 HE ARG 10 HE ARG 10 -10.431 6.388 -5.280
63 HH11 ARG 10 1HH1 ARG 10 -13.597 6.939 -3.783
64 HH12 ARG 10 2HH1 ARG 10 -14.265 7.699 -5.118
65 HH21 ARG 10 1HH2 ARG 10 -11.368 7.465 -7.166
66 HH22 ARG 10 2HH2 ARG 10 -12.976 8.026 -7.078
67 HA PRO 11 HA PRO 11 -11.245 -1.293 -4.824
68 HB2 PRO 11 2HB PRO 11 -8.824 -2.786 -4.223
69 HB3 PRO 11 1HB PRO 11 -9.635 -2.637 -5.789
70 HG2 PRO 11 2HG PRO 11 -7.216 -1.540 -5.312
71 HG3 PRO 11 1HG PRO 11 -8.416 -0.762 -6.363
72 HD2 PRO 11 2HD PRO 11 -7.800 -0.213 -3.491
73 HD3 PRO 11 1HD PRO 11 -7.975 0.950 -4.819
74 H CYS 12 H CYS 12 -12.438 -2.374 -3.338
75 HA CYS 12 HA CYS 12 -11.265 -2.788 -0.699
76 HB2 CYS 12 2HB CYS 12 -13.158 -1.155 -0.741
77 HB3 CYS 12 1HB CYS 12 -14.178 -2.398 -1.428
78 HG CYS 12 HG CYS 12 -14.958 -3.427 0.765
79 H LYS 13 H LYS 13 -10.717 -4.847 -0.484
80 HA LYS 13 HA LYS 13 -12.580 -6.944 -1.293
81 HB2 LYS 13 2HB LYS 13 -9.587 -6.963 -1.906
82 HB3 LYS 13 1HB LYS 13 -10.687 -8.324 -2.119
83 HG2 LYS 13 2HG LYS 13 -11.875 -7.070 -3.857
84 HG3 LYS 13 1HG LYS 13 -10.775 -5.704 -3.627
85 HD2 LYS 13 2HD LYS 13 -8.885 -7.117 -4.300
86 HD3 LYS 13 1HD LYS 13 -9.987 -8.487 -4.513
87 HE2 LYS 13 2HE LYS 13 -11.170 -7.249 -6.263
88 HE3 LYS 13 1HE LYS 13 -10.103 -5.876 -6.052
89 HZ1 LYS 13 3HZ LYS 13 -9.434 -7.277 -7.953
90 HZ2 LYS 13 1HZ LYS 13 -9.249 -8.598 -6.954
91 HZ3 LYS 13 2HZ LYS 13 -8.210 -7.321 -6.791
92 H ASP 14 H ASP 14 -12.185 -8.901 -0.005
93 HA ASP 14 HA ASP 14 -11.232 -8.182 2.645
94 HB2 ASP 14 2HB ASP 14 -12.388 -10.217 3.341
95 HB3 ASP 14 1HB ASP 14 -13.443 -9.248 2.311
96 H LYS 15 H LYS 15 -9.986 -9.521 -0.095
97 HA LYS 15 HA LYS 15 -8.097 -11.210 1.401
98 HB2 LYS 15 2HB LYS 15 -8.894 -11.442 -1.507
99 HB3 LYS 15 1HB LYS 15 -7.730 -12.469 -0.703
100 HG2 LYS 15 2HG LYS 15 -9.495 -13.303 0.788
101 HG3 LYS 15 1HG LYS 15 -10.679 -12.314 -0.066
102 HD2 LYS 15 2HD LYS 15 -10.106 -13.509 -2.159
103 HD3 LYS 15 1HD LYS 15 -8.991 -14.504 -1.231
104 HE2 LYS 15 2HE LYS 15 -10.853 -15.344 0.153
105 HE3 LYS 15 1HE LYS 15 -11.974 -14.338 -0.746
106 HZ1 LYS 15 3HZ LYS 15 -11.946 -16.664 -1.477
107 HZ2 LYS 15 1HZ LYS 15 -10.334 -16.508 -1.910
108 HZ3 LYS 15 2HZ LYS 15 -11.504 -15.605 -2.733
109 H VAL 16 H VAL 16 -8.165 -8.234 0.605
110 HA VAL 16 HA VAL 16 -5.559 -8.285 -0.695
111 HB VAL 16 HB VAL 16 -7.142 -6.948 -2.051
112 HG11 VAL 16 1HG1 VAL 16 -8.157 -4.893 -1.154
113 HG12 VAL 16 2HG1 VAL 16 -7.387 -5.290 0.409
114 HG13 VAL 16 3HG1 VAL 16 -8.668 -6.321 -0.213
115 HG21 VAL 16 3HG2 VAL 16 -5.911 -4.828 -2.159
116 HG22 VAL 16 1HG2 VAL 16 -4.772 -6.180 -1.966
117 HG23 VAL 16 2HG2 VAL 16 -5.202 -5.178 -0.578
118 H ASP 17 H ASP 17 -4.187 -8.397 0.790
119 HA ASP 17 HA ASP 17 -4.212 -6.939 3.214
120 HB2 ASP 17 2HB ASP 17 -1.904 -8.321 1.833
121 HB3 ASP 17 1HB ASP 17 -1.722 -7.565 3.413
122 H TRP 18 H TRP 18 -2.971 -5.187 3.893
123 HA TRP 18 HA TRP 18 -2.490 -3.170 1.789
124 HB2 TRP 18 2HB TRP 18 -3.302 -2.854 4.692
125 HB3 TRP 18 1HB TRP 18 -3.009 -1.518 3.586
126 HD1 TRP 18 HD TRP 18 -5.213 -4.703 3.203
127 HE1 TRP 18 1HE TRP 18 -7.538 -4.019 2.532
128 HE3 TRP 18 3HE TRP 18 -4.532 0.344 3.306
129 HZ2 TRP 18 2HZ TRP 18 -8.988 -1.579 2.133
130 HZ3 TRP 18 3HZ TRP 18 -6.449 1.795 2.787
131 HH2 TRP 18 HH TRP 18 -8.636 0.849 2.216
132 H VAL 19 H VAL 19 -0.721 -1.437 2.360
133 HA VAL 19 HA VAL 19 1.292 -2.613 4.060
134 HB VAL 19 HB VAL 19 3.009 -1.643 2.494
135 HG11 VAL 19 1HG1 VAL 19 1.246 -3.783 1.332
136 HG12 VAL 19 2HG1 VAL 19 2.605 -3.986 2.451
137 HG13 VAL 19 3HG1 VAL 19 2.892 -3.391 0.821
138 HG21 VAL 19 3HG2 VAL 19 0.655 -1.329 0.609
139 HG22 VAL 19 1HG2 VAL 19 2.351 -1.130 0.186
140 HG23 VAL 19 2HG2 VAL 19 1.617 -0.024 1.331
141 H GLN 20 H GLN 20 2.320 -1.233 5.354
142 HA GLN 20 HA GLN 20 1.461 1.580 5.379
143 HB2 GLN 20 2HB GLN 20 1.010 0.304 7.445
144 HB3 GLN 20 1HB GLN 20 2.732 -0.077 7.570
145 HG2 GLN 20 2HG GLN 20 3.222 2.326 7.803
146 HG3 GLN 20 1HG GLN 20 1.496 2.678 7.748
147 HE21 GLN 20 1HE2 GLN 20 3.445 3.211 9.822
148 HE22 GLN 20 2HE2 GLN 20 2.864 2.472 11.246
149 H CYS 21 H CYS 21 3.005 3.162 5.193
150 HA CYS 21 HA CYS 21 5.695 2.181 4.677
151 HB2 CYS 21 2HB CYS 21 6.254 4.430 3.755
152 HB3 CYS 21 1HB CYS 21 4.786 3.810 3.040
153 H ASP 22 H ASP 22 6.798 1.806 6.340
154 HA ASP 22 HA ASP 22 6.441 3.296 8.818
155 HB2 ASP 22 2HB ASP 22 7.991 0.771 8.178
156 HB3 ASP 22 1HB ASP 22 8.148 1.577 9.729
157 H GLY 23 H GLY 23 7.663 4.494 6.543
158 HA2 GLY 23 2HA GLY 23 10.432 4.983 7.369
159 HA3 GLY 23 1HA GLY 23 9.700 5.507 5.859
160 H GLY 24 H GLY 24 7.375 6.302 8.050
161 HA2 GLY 24 2HA GLY 24 7.954 8.252 9.683
162 HA3 GLY 24 1HA GLY 24 8.440 9.040 8.198
163 H CYS 25 H CYS 25 5.914 7.616 6.878
164 HA CYS 25 HA CYS 25 4.152 9.858 7.620
165 HB2 CYS 25 2HB CYS 25 3.500 7.735 5.565
166 HB3 CYS 25 1HB CYS 25 2.834 9.351 5.691
167 H ASP 26 H ASP 26 4.408 6.426 7.849
168 HA ASP 26 HA ASP 26 3.195 4.730 8.783
169 HB2 ASP 26 2HB ASP 26 2.172 6.995 10.534
170 HB3 ASP 26 1HB ASP 26 1.805 5.298 10.816
171 H GLU 27 H GLU 27 2.056 6.278 6.527
172 HA GLU 27 HA GLU 27 -0.783 5.960 6.918
173 HB2 GLU 27 2HB GLU 27 0.791 6.984 4.525
174 HB3 GLU 27 1HB GLU 27 -0.957 6.928 4.635
175 HG2 GLU 27 2HG GLU 27 -0.931 8.441 6.545
176 HG3 GLU 27 1HG GLU 27 0.822 8.519 6.476
177 H TRP 28 H TRP 28 -1.983 4.835 5.294
178 HA TRP 28 HA TRP 28 -0.681 2.252 4.662
179 HB2 TRP 28 2HB TRP 28 -3.569 2.767 5.392
180 HB3 TRP 28 1HB TRP 28 -2.969 1.220 4.803
181 HD1 TRP 28 HD TRP 28 -2.567 3.594 7.846
182 HE1 TRP 28 1HE TRP 28 -1.817 2.182 9.850
183 HE3 TRP 28 3HE TRP 28 -1.927 -0.885 5.480
184 HZ2 TRP 28 2HZ TRP 28 -1.070 -0.489 10.364
185 HZ3 TRP 28 3HZ TRP 28 -1.195 -2.827 6.803
186 HH2 TRP 28 HH TRP 28 -0.767 -2.638 9.182
187 H PHE 29 H PHE 29 -0.626 1.508 2.744
188 HA PHE 29 HA PHE 29 -2.037 2.912 0.547
189 HB2 PHE 29 2HB PHE 29 0.609 1.424 0.424
190 HB3 PHE 29 1HB PHE 29 -0.102 2.434 -0.825
191 HD1 PHE 29 1HD PHE 29 1.314 2.505 2.576
192 HD2 PHE 29 2HD PHE 29 0.445 4.735 -0.919
193 HE1 PHE 29 1HE PHE 29 2.572 4.400 3.479
194 HE2 PHE 29 2HE PHE 29 1.712 6.633 -0.023
195 HZ PHE 29 HZ PHE 29 2.773 6.451 2.200
196 H HIS 30 H HIS 30 -2.635 1.565 -1.215
197 HA HIS 30 HA HIS 30 -3.129 -1.287 -0.611
198 HB2 HIS 30 2HB HIS 30 -3.977 0.580 -2.707
199 HB3 HIS 30 1HB HIS 30 -4.222 -1.061 -3.122
200 HD2 HIS 30 2HD HIS 30 -6.141 -2.249 -1.104
201 HE1 HIS 30 1HE HIS 30 -8.061 1.494 -0.805
202 HE2 HIS 30 2HE HIS 30 -8.324 -1.006 -0.791
203 H GLN 31 H GLN 31 -2.125 -2.887 -1.679
204 HA GLN 31 HA GLN 31 0.355 -2.279 -2.820
205 HB2 GLN 31 2HB GLN 31 -1.154 -4.888 -2.755
206 HB3 GLN 31 1HB GLN 31 0.485 -4.722 -3.400
207 HG2 GLN 31 2HG GLN 31 1.289 -3.999 -1.240
208 HG3 GLN 31 1HG GLN 31 -0.334 -4.071 -0.573
209 HE21 GLN 31 1HE2 GLN 31 -1.172 -6.070 -0.022
210 HE22 GLN 31 2HE2 GLN 31 -0.231 -7.515 -0.021
211 H VAL 32 H VAL 32 -2.702 -2.992 -4.433
212 HA VAL 32 HA VAL 32 -1.471 -2.913 -7.019
213 HB VAL 32 HB VAL 32 -3.641 -4.065 -6.730
214 HG11 VAL 32 1HG1 VAL 32 -5.687 -2.757 -6.346
215 HG12 VAL 32 2HG1 VAL 32 -4.636 -1.317 -6.263
216 HG13 VAL 32 3HG1 VAL 32 -4.493 -2.559 -5.025
217 HG21 VAL 32 3HG2 VAL 32 -3.060 -3.155 -8.933
218 HG22 VAL 32 1HG2 VAL 32 -3.822 -1.642 -8.448
219 HG23 VAL 32 2HG2 VAL 32 -4.819 -3.100 -8.645
220 H CYS 33 H CYS 33 -3.026 -0.581 -5.046
221 HA CYS 33 HA CYS 33 -3.188 1.509 -7.090
222 HB2 CYS 33 2HB CYS 33 -4.317 2.927 -5.552
223 HB3 CYS 33 1HB CYS 33 -4.785 1.328 -5.079
224 H VAL 34 H VAL 34 -0.785 0.836 -4.543
225 HA VAL 34 HA VAL 34 0.607 3.180 -5.477
226 HB VAL 34 HB VAL 34 0.121 2.374 -2.922
227 HG11 VAL 34 1HG1 VAL 34 2.632 1.049 -3.471
228 HG12 VAL 34 2HG1 VAL 34 1.086 0.299 -3.068
229 HG13 VAL 34 3HG1 VAL 34 1.901 1.346 -1.891
230 HG21 VAL 34 3HG2 VAL 34 1.015 4.446 -3.604
231 HG22 VAL 34 1HG2 VAL 34 2.597 3.713 -3.920
232 HG23 VAL 34 2HG2 VAL 34 1.958 3.761 -2.259
233 H GLY 35 H GLY 35 0.361 0.224 -6.473
234 HA2 GLY 35 2HA GLY 35 1.726 -1.383 -7.552
235 HA3 GLY 35 1HA GLY 35 2.857 -0.056 -7.730
236 H VAL 36 H VAL 36 1.835 -2.562 -5.287
237 HA VAL 36 HA VAL 36 4.612 -3.091 -4.658
238 HB VAL 36 HB VAL 36 2.184 -3.037 -2.831
239 HG11 VAL 36 1HG1 VAL 36 4.959 -4.096 -2.226
240 HG12 VAL 36 2HG1 VAL 36 3.394 -4.918 -2.140
241 HG13 VAL 36 3HG1 VAL 36 3.769 -3.676 -0.999
242 HG21 VAL 36 3HG2 VAL 36 4.686 -1.349 -2.775
243 HG22 VAL 36 1HG2 VAL 36 3.478 -1.404 -1.490
244 HG23 VAL 36 2HG2 VAL 36 2.992 -0.842 -3.057
245 H SER 37 H SER 37 4.965 -5.493 -4.496
246 HA SER 37 HA SER 37 2.742 -6.963 -5.511
247 HB2 SER 37 2HB SER 37 4.540 -8.681 -5.847
248 HB3 SER 37 1HB SER 37 4.837 -7.166 -6.716
249 HG SER 37 HG SER 37 6.699 -7.972 -5.577
250 HA PRO 38 HA PRO 38 1.873 -8.669 -1.470
251 HB2 PRO 38 2HB PRO 38 1.595 -11.368 -2.058
252 HB3 PRO 38 1HB PRO 38 0.331 -10.174 -2.329
253 HG2 PRO 38 2HG PRO 38 2.352 -11.245 -4.242
254 HG3 PRO 38 1HG PRO 38 0.613 -11.011 -4.504
255 HD2 PRO 38 2HD PRO 38 2.369 -9.276 -5.479
256 HD3 PRO 38 1HD PRO 38 0.881 -8.670 -4.706
257 H GLU 39 H GLU 39 4.458 -9.842 -3.365
258 HA GLU 39 HA GLU 39 5.696 -11.553 -1.443
259 HB2 GLU 39 2HB GLU 39 5.958 -11.792 -3.889
260 HB3 GLU 39 1HB GLU 39 6.748 -10.229 -3.922
261 HG2 GLU 39 2HG GLU 39 8.581 -11.115 -2.582
262 HG3 GLU 39 1HG GLU 39 7.804 -12.700 -2.554
263 H MET 40 H MET 40 5.870 -8.136 -2.382
264 HA MET 40 HA MET 40 8.335 -7.624 -1.021
265 HB2 MET 40 2HB MET 40 7.335 -6.114 -2.993
266 HB3 MET 40 1HB MET 40 6.284 -5.588 -1.767
267 HG2 MET 40 2HG MET 40 7.738 -4.469 -0.530
268 HG3 MET 40 1HG MET 40 9.152 -5.373 -1.062
269 HE1 MET 40 3HE MET 40 6.551 -2.555 -2.018
270 HE2 MET 40 1HE MET 40 6.415 -3.653 -3.387
271 HE3 MET 40 2HE MET 40 7.124 -2.053 -3.607
272 H ALA 41 H ALA 41 4.958 -7.275 -0.367
273 HA ALA 41 HA ALA 41 5.025 -5.771 1.926
274 HB1 ALA 41 1HB ALA 41 2.748 -6.633 2.370
275 HB2 ALA 41 2HB ALA 41 3.033 -7.927 1.211
276 HB3 ALA 41 3HB ALA 41 2.987 -6.268 0.656
277 H GLU 42 H GLU 42 5.135 -9.268 1.656
278 HA GLU 42 HA GLU 42 5.444 -9.580 4.532
279 HB2 GLU 42 2HB GLU 42 5.662 -11.699 2.400
280 HB3 GLU 42 1HB GLU 42 5.673 -12.011 4.112
281 HG2 GLU 42 2HG GLU 42 3.390 -11.046 4.294
282 HG3 GLU 42 1HG GLU 42 3.362 -10.845 2.550
283 H ASN 43 H ASN 43 7.764 -9.072 2.025
284 HA ASN 43 HA ASN 43 9.765 -10.354 3.723
285 HB2 ASN 43 2HB ASN 43 9.736 -10.013 0.756
286 HB3 ASN 43 1HB ASN 43 11.170 -10.479 1.633
287 HD21 ASN 43 1HD2 ASN 43 8.098 -11.446 0.490
288 HD22 ASN 43 2HD2 ASN 43 8.309 -13.122 0.900
289 H GLU 44 H GLU 44 9.008 -7.282 2.166
290 HA GLU 44 HA GLU 44 11.568 -6.291 3.205
291 HB2 GLU 44 2HB GLU 44 10.240 -5.534 0.615
292 HB3 GLU 44 1HB GLU 44 11.514 -4.583 1.355
293 HG2 GLU 44 2HG GLU 44 13.044 -6.483 1.133
294 HG3 GLU 44 1HG GLU 44 11.755 -7.420 0.369
295 H ASP 45 H ASP 45 11.613 -3.931 3.394
296 HA ASP 45 HA ASP 45 9.351 -2.979 4.983
297 HB2 ASP 45 2HB ASP 45 11.738 -2.869 5.736
298 HB3 ASP 45 1HB ASP 45 12.055 -1.766 4.403
299 H TYR 46 H TYR 46 7.815 -1.926 3.917
300 HA TYR 46 HA TYR 46 8.358 -0.728 1.387
301 HB2 TYR 46 2HB TYR 46 6.204 -1.859 1.571
302 HB3 TYR 46 1HB TYR 46 5.684 -0.746 2.832
303 HD1 TYR 46 1HD TYR 46 7.107 -0.556 -0.643
304 HD2 TYR 46 2HD TYR 46 4.239 0.914 2.120
305 HE1 TYR 46 1HE TYR 46 6.293 1.006 -2.345
306 HE2 TYR 46 2HE TYR 46 3.384 2.511 0.330
307 HH TYR 46 HH TYR 46 4.307 2.276 -2.882
308 H ILE 47 H ILE 47 9.264 0.918 1.210
309 HA ILE 47 HA ILE 47 8.764 3.368 2.792
310 HB ILE 47 HB ILE 47 10.823 2.982 0.559
311 HG12 ILE 47 2HG1 ILE 47 11.344 1.553 2.500
312 HG13 ILE 47 1HG1 ILE 47 12.507 2.864 2.339
313 HG21 ILE 47 1HG2 ILE 47 11.855 5.036 1.463
314 HG22 ILE 47 2HG2 ILE 47 10.465 5.158 2.575
315 HG23 ILE 47 3HG2 ILE 47 10.219 5.312 0.833
316 HD11 ILE 47 3HD1 ILE 47 11.330 4.103 4.101
317 HD12 ILE 47 1HD1 ILE 47 11.900 2.525 4.676
318 HD13 ILE 47 2HD1 ILE 47 10.202 2.760 4.269
319 H CYS 48 H CYS 48 7.747 5.357 1.737
320 HA CYS 48 HA CYS 48 6.390 4.565 -0.723
321 HB2 CYS 48 2HB CYS 48 4.702 6.100 -0.159
322 HB3 CYS 48 1HB CYS 48 5.054 5.291 1.363
323 H ILE 49 H ILE 49 5.848 6.627 -1.979
324 HA ILE 49 HA ILE 49 8.104 7.791 -3.062
325 HB ILE 49 HB ILE 49 6.020 7.690 -4.279
326 HG12 ILE 49 2HG1 ILE 49 6.876 10.514 -3.817
327 HG13 ILE 49 1HG1 ILE 49 7.720 9.360 -4.850
328 HG21 ILE 49 1HG2 ILE 49 4.979 9.759 -2.362
329 HG22 ILE 49 2HG2 ILE 49 4.422 8.093 -2.477
330 HG23 ILE 49 3HG2 ILE 49 4.158 9.211 -3.824
331 HD11 ILE 49 3HD1 ILE 49 4.923 10.387 -5.267
332 HD12 ILE 49 1HD1 ILE 49 5.770 9.184 -6.247
333 HD13 ILE 49 2HD1 ILE 49 6.381 10.848 -6.181
334 H ASN 50 H ASN 50 6.071 9.022 -0.450
335 HA ASN 50 HA ASN 50 7.403 11.564 -0.336
336 HB2 ASN 50 2HB ASN 50 5.427 10.271 1.544
337 HB3 ASN 50 1HB ASN 50 6.065 11.889 1.793
338 HD21 ASN 50 1HD2 ASN 50 5.373 13.559 0.480
339 HD22 ASN 50 2HD2 ASN 50 4.008 13.392 -0.571
340 H CYS 51 H CYS 51 7.645 8.538 1.351
341 HA CYS 51 HA CYS 51 9.486 9.450 3.354
342 HB2 CYS 51 2HB CYS 51 8.798 6.689 2.344
343 HB3 CYS 51 1HB CYS 51 10.059 6.947 3.532
344 H ALA 52 H ALA 52 9.731 8.393 0.116
345 HA ALA 52 HA ALA 52 12.575 7.773 0.243
346 HB1 ALA 52 3HB ALA 52 11.103 6.473 -1.188
347 HB2 ALA 52 1HB ALA 52 12.395 7.223 -2.137
348 HB3 ALA 52 2HB ALA 52 10.755 7.900 -2.156
Start of MODEL 2
1 HA SER 1 HA SER 1 -11.966 6.418 3.345
2 HB2 SER 1 2HB SER 1 -12.528 3.493 2.717
3 HB3 SER 1 1HB SER 1 -11.316 4.091 3.858
4 HG SER 1 HG SER 1 -14.128 4.256 4.012
5 H VAL 2 H VAL 2 -10.563 7.444 2.005
6 HA VAL 2 HA VAL 2 -9.535 5.986 -0.308
7 HB VAL 2 HB VAL 2 -9.265 8.937 0.415
8 HG11 VAL 2 1HG1 VAL 2 -7.395 8.121 -0.938
9 HG12 VAL 2 2HG1 VAL 2 -8.407 9.251 -1.831
10 HG13 VAL 2 3HG1 VAL 2 -8.528 7.519 -2.160
11 HG21 VAL 2 3HG2 VAL 2 -11.037 7.636 -1.668
12 HG22 VAL 2 1HG2 VAL 2 -10.849 9.369 -1.400
13 HG23 VAL 2 2HG2 VAL 2 -11.573 8.372 -0.158
14 H CYS 3 H CYS 3 -7.348 5.387 -0.291
15 HA CYS 3 HA CYS 3 -6.057 5.729 2.289
16 HB2 CYS 3 2HB CYS 3 -4.987 3.737 1.865
17 HB3 CYS 3 1HB CYS 3 -6.308 3.511 0.735
18 H ALA 4 H ALA 4 -3.432 5.649 1.689
19 HA ALA 4 HA ALA 4 -2.986 8.211 0.358
20 HB1 ALA 4 1HB ALA 4 -1.123 6.509 2.045
21 HB2 ALA 4 2HB ALA 4 -1.959 7.952 2.607
22 HB3 ALA 4 3HB ALA 4 -0.717 8.069 1.361
23 H ALA 5 H ALA 5 -2.540 8.075 -1.789
24 HA ALA 5 HA ALA 5 -0.214 6.824 -2.743
25 HB1 ALA 5 1HB ALA 5 -1.641 4.771 -2.705
26 HB2 ALA 5 2HB ALA 5 -1.156 5.203 -4.318
27 HB3 ALA 5 3HB ALA 5 -2.791 5.578 -3.765
28 H GLN 6 H GLN 6 0.429 7.842 -4.654
29 HA GLN 6 HA GLN 6 -0.481 10.155 -5.549
30 HB2 GLN 6 2HB GLN 6 0.580 7.950 -7.352
31 HB3 GLN 6 1HB GLN 6 0.668 9.667 -7.651
32 HG2 GLN 6 2HG GLN 6 2.216 9.919 -5.819
33 HG3 GLN 6 1HG GLN 6 2.013 8.204 -5.402
34 HE21 GLN 6 1HE2 GLN 6 2.923 6.610 -6.743
35 HE22 GLN 6 2HE2 GLN 6 4.116 7.008 -7.920
36 H ASN 7 H ASN 7 -1.364 7.117 -6.773
37 HA ASN 7 HA ASN 7 -4.038 8.166 -7.537
38 HB2 ASN 7 2HB ASN 7 -2.749 7.942 -9.664
39 HB3 ASN 7 1HB ASN 7 -2.464 6.249 -9.293
40 HD21 ASN 7 1HD2 ASN 7 -4.175 4.776 -9.538
41 HD22 ASN 7 2HD2 ASN 7 -5.620 5.173 -10.396
42 H CYS 8 H CYS 8 -5.256 7.292 -6.005
43 HA CYS 8 HA CYS 8 -4.780 4.521 -5.497
44 HB2 CYS 8 2HB CYS 8 -4.934 5.835 -3.485
45 HB3 CYS 8 1HB CYS 8 -6.511 6.455 -3.970
46 H GLN 9 H GLN 9 -5.861 3.103 -6.485
47 HA GLN 9 HA GLN 9 -8.096 3.544 -8.168
48 HB2 GLN 9 2HB GLN 9 -6.985 1.009 -6.994
49 HB3 GLN 9 1HB GLN 9 -8.143 1.014 -8.305
50 HG2 GLN 9 2HG GLN 9 -6.358 2.283 -9.642
51 HG3 GLN 9 1HG GLN 9 -5.303 1.965 -8.283
52 HE21 GLN 9 1HE2 GLN 9 -3.896 0.697 -9.622
53 HE22 GLN 9 2HE2 GLN 9 -4.362 -0.890 -10.081
54 H ARG 10 H ARG 10 -7.911 3.356 -4.872
55 HA ARG 10 HA ARG 10 -9.130 2.654 -3.081
56 HB2 ARG 10 2HB ARG 10 -10.209 4.773 -3.846
57 HB3 ARG 10 1HB ARG 10 -11.337 3.813 -4.792
58 HG2 ARG 10 2HG ARG 10 -12.277 2.860 -2.721
59 HG3 ARG 10 1HG ARG 10 -11.093 3.765 -1.775
60 HD2 ARG 10 2HD ARG 10 -12.021 5.857 -2.546
61 HD3 ARG 10 1HD ARG 10 -13.169 5.004 -3.574
62 HE ARG 10 HE ARG 10 -13.465 4.164 -0.909
63 HH11 ARG 10 1HH1 ARG 10 -14.066 7.004 -2.946
64 HH12 ARG 10 2HH1 ARG 10 -15.353 7.609 -2.013
65 HH21 ARG 10 1HH2 ARG 10 -15.289 5.027 0.426
66 HH22 ARG 10 2HH2 ARG 10 -16.059 6.466 -0.037
67 HA PRO 11 HA PRO 11 -11.041 -1.243 -4.897
68 HB2 PRO 11 2HB PRO 11 -8.613 -2.685 -4.175
69 HB3 PRO 11 1HB PRO 11 -9.363 -2.563 -5.779
70 HG2 PRO 11 2HG PRO 11 -6.979 -1.458 -5.181
71 HG3 PRO 11 1HG PRO 11 -8.122 -0.710 -6.316
72 HD2 PRO 11 2HD PRO 11 -7.689 -0.078 -3.402
73 HD3 PRO 11 1HD PRO 11 -7.777 1.042 -4.787
74 H CYS 12 H CYS 12 -12.218 -2.367 -3.421
75 HA CYS 12 HA CYS 12 -11.056 -2.769 -0.779
76 HB2 CYS 12 2HB CYS 12 -12.599 -0.887 -0.695
77 HB3 CYS 12 1HB CYS 12 -13.888 -1.871 -1.386
78 HG CYS 12 HG CYS 12 -14.652 -3.026 0.783
79 H LYS 13 H LYS 13 -10.888 -4.903 -0.484
80 HA LYS 13 HA LYS 13 -13.075 -6.656 -1.296
81 HB2 LYS 13 2HB LYS 13 -10.138 -7.224 -1.802
82 HB3 LYS 13 1HB LYS 13 -11.480 -8.323 -2.085
83 HG2 LYS 13 2HG LYS 13 -12.306 -6.834 -3.850
84 HG3 LYS 13 1HG LYS 13 -10.935 -5.752 -3.555
85 HD2 LYS 13 2HD LYS 13 -9.386 -7.587 -4.094
86 HD3 LYS 13 1HD LYS 13 -10.742 -8.647 -4.428
87 HE2 LYS 13 2HE LYS 13 -11.464 -7.075 -6.227
88 HE3 LYS 13 1HE LYS 13 -10.000 -6.138 -5.897
89 HZ1 LYS 13 3HZ LYS 13 -10.100 -8.940 -6.812
90 HZ2 LYS 13 1HZ LYS 13 -8.685 -8.117 -6.417
91 HZ3 LYS 13 2HZ LYS 13 -9.592 -7.605 -7.729
92 H ASP 14 H ASP 14 -12.748 -8.826 -0.144
93 HA ASP 14 HA ASP 14 -11.912 -8.429 2.545
94 HB2 ASP 14 2HB ASP 14 -12.612 -10.953 1.001
95 HB3 ASP 14 1HB ASP 14 -12.184 -10.977 2.703
96 H LYS 15 H LYS 15 -10.667 -10.633 -0.012
97 HA LYS 15 HA LYS 15 -8.176 -10.974 1.160
98 HB2 LYS 15 2HB LYS 15 -9.050 -11.331 -1.693
99 HB3 LYS 15 1HB LYS 15 -7.657 -12.063 -0.936
100 HG2 LYS 15 2HG LYS 15 -8.993 -13.449 0.432
101 HG3 LYS 15 1HG LYS 15 -10.470 -12.594 -0.002
102 HD2 LYS 15 2HD LYS 15 -10.136 -13.306 -2.365
103 HD3 LYS 15 1HD LYS 15 -8.722 -14.216 -1.856
104 HE2 LYS 15 2HE LYS 15 -10.085 -15.655 -0.472
105 HE3 LYS 15 1HE LYS 15 -11.511 -14.667 -0.804
106 HZ1 LYS 15 3HZ LYS 15 -11.432 -15.283 -3.085
107 HZ2 LYS 15 1HZ LYS 15 -11.456 -16.693 -2.198
108 HZ3 LYS 15 2HZ LYS 15 -10.027 -16.180 -2.909
109 H VAL 16 H VAL 16 -7.379 -8.742 1.487
110 HA VAL 16 HA VAL 16 -5.519 -8.156 -0.442
111 HB VAL 16 HB VAL 16 -7.244 -7.043 -1.754
112 HG11 VAL 16 1HG1 VAL 16 -8.402 -5.057 -0.927
113 HG12 VAL 16 2HG1 VAL 16 -7.649 -5.362 0.655
114 HG13 VAL 16 3HG1 VAL 16 -8.815 -6.511 0.012
115 HG21 VAL 16 3HG2 VAL 16 -5.464 -5.029 -0.428
116 HG22 VAL 16 1HG2 VAL 16 -6.181 -4.881 -2.037
117 HG23 VAL 16 2HG2 VAL 16 -4.940 -6.116 -1.704
118 H ASP 17 H ASP 17 -4.114 -8.170 0.930
119 HA ASP 17 HA ASP 17 -4.022 -6.733 3.357
120 HB2 ASP 17 2HB ASP 17 -1.731 -7.906 1.760
121 HB3 ASP 17 1HB ASP 17 -1.564 -7.242 3.382
122 H TRP 18 H TRP 18 -3.178 -4.861 3.936
123 HA TRP 18 HA TRP 18 -2.623 -2.864 1.849
124 HB2 TRP 18 2HB TRP 18 -3.533 -2.587 4.729
125 HB3 TRP 18 1HB TRP 18 -3.187 -1.235 3.657
126 HD1 TRP 18 HD TRP 18 -5.448 -4.387 3.247
127 HE1 TRP 18 1HE TRP 18 -7.763 -3.624 2.517
128 HE3 TRP 18 3HE TRP 18 -4.612 0.640 3.219
129 HZ2 TRP 18 2HZ TRP 18 -9.108 -1.155 2.024
130 HZ3 TRP 18 3HZ TRP 18 -6.465 2.144 2.614
131 HH2 TRP 18 HH TRP 18 -8.672 1.254 2.032
132 H VAL 19 H VAL 19 -0.839 -1.148 2.504
133 HA VAL 19 HA VAL 19 1.097 -2.384 4.258
134 HB VAL 19 HB VAL 19 2.888 -1.560 2.732
135 HG11 VAL 19 1HG1 VAL 19 2.706 -3.292 1.036
136 HG12 VAL 19 2HG1 VAL 19 0.992 -3.495 1.435
137 HG13 VAL 19 3HG1 VAL 19 2.218 -3.911 2.618
138 HG21 VAL 19 3HG2 VAL 19 1.668 0.168 1.547
139 HG22 VAL 19 1HG2 VAL 19 0.611 -1.047 0.824
140 HG23 VAL 19 2HG2 VAL 19 2.304 -1.009 0.386
141 H GLN 20 H GLN 20 2.116 -1.028 5.540
142 HA GLN 20 HA GLN 20 1.343 1.807 5.440
143 HB2 GLN 20 2HB GLN 20 0.656 0.705 7.501
144 HB3 GLN 20 1HB GLN 20 2.298 0.123 7.775
145 HG2 GLN 20 2HG GLN 20 3.070 2.385 8.101
146 HG3 GLN 20 1HG GLN 20 1.464 3.024 7.745
147 HE21 GLN 20 1HE2 GLN 20 3.128 3.350 10.132
148 HE22 GLN 20 2HE2 GLN 20 2.206 2.771 11.447
149 H CYS 21 H CYS 21 2.953 3.348 5.319
150 HA CYS 21 HA CYS 21 5.604 2.262 4.877
151 HB2 CYS 21 2HB CYS 21 6.245 4.546 3.962
152 HB3 CYS 21 1HB CYS 21 4.795 3.930 3.204
153 H ASP 22 H ASP 22 6.780 1.896 6.551
154 HA ASP 22 HA ASP 22 6.405 3.438 9.005
155 HB2 ASP 22 2HB ASP 22 8.173 1.011 8.505
156 HB3 ASP 22 1HB ASP 22 7.994 1.808 10.050
157 H GLY 23 H GLY 23 7.608 4.557 6.621
158 HA2 GLY 23 2HA GLY 23 10.410 4.951 7.370
159 HA3 GLY 23 1HA GLY 23 9.678 5.465 5.855
160 H GLY 24 H GLY 24 7.374 6.442 7.810
161 HA2 GLY 24 2HA GLY 24 8.144 8.474 9.411
162 HA3 GLY 24 1HA GLY 24 8.461 9.155 7.832
163 H CYS 25 H CYS 25 5.931 7.765 6.778
164 HA CYS 25 HA CYS 25 4.222 10.035 7.545
165 HB2 CYS 25 2HB CYS 25 3.486 7.882 5.577
166 HB3 CYS 25 1HB CYS 25 2.849 9.518 5.683
167 H ASP 26 H ASP 26 4.439 6.606 7.990
168 HA ASP 26 HA ASP 26 3.192 4.998 9.014
169 HB2 ASP 26 2HB ASP 26 2.092 7.349 10.610
170 HB3 ASP 26 1HB ASP 26 1.842 5.655 11.001
171 H GLU 27 H GLU 27 2.039 6.502 6.674
172 HA GLU 27 HA GLU 27 -0.797 6.146 7.122
173 HB2 GLU 27 2HB GLU 27 0.724 7.283 4.775
174 HB3 GLU 27 1HB GLU 27 -1.031 7.173 4.805
175 HG2 GLU 27 2HG GLU 27 -0.971 8.602 6.878
176 HG3 GLU 27 1HG GLU 27 0.761 8.773 6.625
177 H TRP 28 H TRP 28 -2.048 5.132 5.381
178 HA TRP 28 HA TRP 28 -0.845 2.487 4.804
179 HB2 TRP 28 2HB TRP 28 -3.729 3.134 5.435
180 HB3 TRP 28 1HB TRP 28 -3.168 1.585 4.830
181 HD1 TRP 28 HD TRP 28 -2.723 3.858 7.920
182 HE1 TRP 28 1HE TRP 28 -2.119 2.353 9.915
183 HE3 TRP 28 3HE TRP 28 -2.313 -0.613 5.472
184 HZ2 TRP 28 2HZ TRP 28 -1.580 -0.392 10.404
185 HZ3 TRP 28 3HZ TRP 28 -1.762 -2.631 6.775
186 HH2 TRP 28 HH TRP 28 -1.401 -2.515 9.191
187 H PHE 29 H PHE 29 -0.717 1.751 2.896
188 HA PHE 29 HA PHE 29 -2.036 3.161 0.651
189 HB2 PHE 29 2HB PHE 29 0.664 1.723 0.570
190 HB3 PHE 29 1HB PHE 29 -0.047 2.735 -0.666
191 HD1 PHE 29 1HD PHE 29 1.053 2.930 2.860
192 HD2 PHE 29 2HD PHE 29 0.784 4.917 -0.882
193 HE1 PHE 29 1HE PHE 29 2.296 4.814 3.775
194 HE2 PHE 29 2HE PHE 29 2.038 6.816 0.046
195 HZ PHE 29 HZ PHE 29 2.801 6.729 2.425
196 H HIS 30 H HIS 30 -2.464 1.752 -1.189
197 HA HIS 30 HA HIS 30 -3.029 -1.080 -0.488
198 HB2 HIS 30 2HB HIS 30 -3.848 0.688 -2.712
199 HB3 HIS 30 1HB HIS 30 -4.069 -0.979 -3.014
200 HD2 HIS 30 2HD HIS 30 -6.083 -2.031 -1.020
201 HE1 HIS 30 1HE HIS 30 -7.931 1.786 -0.991
202 HE2 HIS 30 2HE HIS 30 -8.288 -0.703 -0.874
203 H GLN 31 H GLN 31 -1.899 -2.693 -1.408
204 HA GLN 31 HA GLN 31 0.548 -2.207 -2.580
205 HB2 GLN 31 2HB GLN 31 -1.116 -4.719 -2.677
206 HB3 GLN 31 1HB GLN 31 0.484 -4.617 -3.393
207 HG2 GLN 31 2HG GLN 31 1.460 -4.096 -1.284
208 HG3 GLN 31 1HG GLN 31 -0.126 -4.047 -0.524
209 HE21 GLN 31 1HE2 GLN 31 -1.113 -5.965 -0.038
210 HE22 GLN 31 2HE2 GLN 31 -0.348 -7.495 -0.146
211 H VAL 32 H VAL 32 -2.458 -3.001 -4.304
212 HA VAL 32 HA VAL 32 -1.189 -2.957 -6.822
213 HB VAL 32 HB VAL 32 -3.331 -4.147 -6.510
214 HG11 VAL 32 1HG1 VAL 32 -5.428 -2.859 -6.323
215 HG12 VAL 32 2HG1 VAL 32 -4.419 -1.400 -6.228
216 HG13 VAL 32 3HG1 VAL 32 -4.325 -2.599 -4.945
217 HG21 VAL 32 3HG2 VAL 32 -4.480 -3.321 -8.519
218 HG22 VAL 32 1HG2 VAL 32 -2.715 -3.427 -8.741
219 HG23 VAL 32 2HG2 VAL 32 -3.483 -1.867 -8.420
220 H CYS 33 H CYS 33 -2.856 -0.603 -5.054
221 HA CYS 33 HA CYS 33 -2.960 1.406 -7.144
222 HB2 CYS 33 2HB CYS 33 -4.144 2.850 -5.690
223 HB3 CYS 33 1HB CYS 33 -4.573 1.275 -5.129
224 H VAL 34 H VAL 34 -0.510 0.734 -4.614
225 HA VAL 34 HA VAL 34 0.891 3.024 -5.617
226 HB VAL 34 HB VAL 34 0.404 2.392 -3.037
227 HG11 VAL 34 1HG1 VAL 34 2.031 1.322 -1.866
228 HG12 VAL 34 2HG1 VAL 34 2.858 0.984 -3.370
229 HG13 VAL 34 3HG1 VAL 34 1.273 0.248 -3.071
230 HG21 VAL 34 3HG2 VAL 34 2.956 3.508 -4.063
231 HG22 VAL 34 1HG2 VAL 34 2.320 3.680 -2.401
232 HG23 VAL 34 2HG2 VAL 34 1.399 4.343 -3.755
233 H GLY 35 H GLY 35 0.524 0.168 -6.703
234 HA2 GLY 35 2HA GLY 35 1.714 -1.338 -8.007
235 HA3 GLY 35 1HA GLY 35 2.953 -0.123 -8.097
236 H VAL 36 H VAL 36 1.975 -1.935 -5.180
237 HA VAL 36 HA VAL 36 4.662 -3.046 -4.932
238 HB VAL 36 HB VAL 36 2.291 -2.958 -3.082
239 HG11 VAL 36 1HG1 VAL 36 3.377 -4.890 -2.482
240 HG12 VAL 36 2HG1 VAL 36 3.970 -3.742 -1.279
241 HG13 VAL 36 3HG1 VAL 36 4.967 -4.223 -2.677
242 HG21 VAL 36 3HG2 VAL 36 3.255 -0.826 -3.327
243 HG22 VAL 36 1HG2 VAL 36 4.880 -1.436 -2.994
244 HG23 VAL 36 2HG2 VAL 36 3.663 -1.448 -1.722
245 H SER 37 H SER 37 4.982 -5.458 -4.702
246 HA SER 37 HA SER 37 2.778 -6.926 -5.779
247 HB2 SER 37 2HB SER 37 4.618 -8.622 -6.080
248 HB3 SER 37 1HB SER 37 4.883 -7.133 -6.981
249 HG SER 37 HG SER 37 6.664 -6.875 -5.892
250 HA PRO 38 HA PRO 38 1.927 -8.572 -1.738
251 HB2 PRO 38 2HB PRO 38 1.643 -11.281 -2.238
252 HB3 PRO 38 1HB PRO 38 0.399 -10.070 -2.574
253 HG2 PRO 38 2HG PRO 38 2.448 -11.219 -4.430
254 HG3 PRO 38 1HG PRO 38 0.709 -10.994 -4.725
255 HD2 PRO 38 2HD PRO 38 2.479 -9.287 -5.726
256 HD3 PRO 38 1HD PRO 38 0.969 -8.672 -5.012
257 H GLU 39 H GLU 39 4.585 -9.796 -3.582
258 HA GLU 39 HA GLU 39 5.754 -11.435 -1.560
259 HB2 GLU 39 2HB GLU 39 6.106 -11.802 -3.977
260 HB3 GLU 39 1HB GLU 39 6.909 -10.252 -4.103
261 HG2 GLU 39 2HG GLU 39 8.669 -11.022 -2.633
262 HG3 GLU 39 1HG GLU 39 7.869 -12.592 -2.481
263 H MET 40 H MET 40 5.906 -8.061 -2.599
264 HA MET 40 HA MET 40 8.392 -7.532 -1.274
265 HB2 MET 40 2HB MET 40 7.385 -6.131 -3.264
266 HB3 MET 40 1HB MET 40 6.424 -5.433 -2.008
267 HG2 MET 40 2HG MET 40 8.073 -4.547 -0.831
268 HG3 MET 40 1HG MET 40 9.394 -5.448 -1.607
269 HE1 MET 40 3HE MET 40 7.326 -1.568 -3.040
270 HE2 MET 40 1HE MET 40 7.351 -2.210 -1.397
271 HE3 MET 40 2HE MET 40 6.404 -3.021 -2.640
272 H ALA 41 H ALA 41 5.016 -7.091 -0.501
273 HA ALA 41 HA ALA 41 5.203 -5.359 1.660
274 HB1 ALA 41 1HB ALA 41 3.153 -7.566 1.287
275 HB2 ALA 41 2HB ALA 41 3.068 -5.982 0.536
276 HB3 ALA 41 3HB ALA 41 2.951 -6.123 2.272
277 H GLU 42 H GLU 42 5.212 -8.822 1.724
278 HA GLU 42 HA GLU 42 5.710 -8.816 4.607
279 HB2 GLU 42 2HB GLU 42 5.407 -11.247 2.830
280 HB3 GLU 42 1HB GLU 42 5.474 -11.259 4.588
281 HG2 GLU 42 2HG GLU 42 3.454 -9.926 4.654
282 HG3 GLU 42 1HG GLU 42 3.332 -10.016 2.889
283 H ASN 43 H ASN 43 7.756 -8.818 1.902
284 HA ASN 43 HA ASN 43 9.808 -10.239 3.423
285 HB2 ASN 43 2HB ASN 43 9.404 -10.049 0.465
286 HB3 ASN 43 1HB ASN 43 10.956 -10.475 1.172
287 HD21 ASN 43 1HD2 ASN 43 8.998 -11.995 -0.497
288 HD22 ASN 43 2HD2 ASN 43 8.655 -13.436 0.396
289 H GLU 44 H GLU 44 9.214 -7.194 1.784
290 HA GLU 44 HA GLU 44 11.848 -6.370 2.723
291 HB2 GLU 44 2HB GLU 44 10.748 -5.707 -0.020
292 HB3 GLU 44 1HB GLU 44 12.115 -4.874 0.685
293 HG2 GLU 44 2HG GLU 44 13.293 -7.034 0.822
294 HG3 GLU 44 1HG GLU 44 11.970 -7.804 -0.046
295 H ASP 45 H ASP 45 12.133 -3.968 2.727
296 HA ASP 45 HA ASP 45 10.120 -2.902 4.461
297 HB2 ASP 45 2HB ASP 45 12.534 -1.517 3.257
298 HB3 ASP 45 1HB ASP 45 11.608 -0.998 4.646
299 H TYR 46 H TYR 46 8.304 -2.065 3.644
300 HA TYR 46 HA TYR 46 8.287 -0.783 1.069
301 HB2 TYR 46 2HB TYR 46 6.237 -1.946 1.546
302 HB3 TYR 46 1HB TYR 46 6.042 -1.061 3.086
303 HD1 TYR 46 1HD TYR 46 5.948 -0.723 -0.606
304 HD2 TYR 46 2HD TYR 46 5.037 1.072 3.132
305 HE1 TYR 46 1HE TYR 46 4.660 1.102 -1.753
306 HE2 TYR 46 2HE TYR 46 3.781 2.843 1.973
307 HH TYR 46 HH TYR 46 2.902 2.649 -1.211
308 H ILE 47 H ILE 47 9.140 0.895 0.843
309 HA ILE 47 HA ILE 47 8.747 3.227 2.653
310 HB ILE 47 HB ILE 47 10.742 3.058 0.337
311 HG12 ILE 47 2HG1 ILE 47 11.360 1.437 2.109
312 HG13 ILE 47 1HG1 ILE 47 12.490 2.780 2.038
313 HG21 ILE 47 1HG2 ILE 47 10.405 5.014 2.577
314 HG22 ILE 47 2HG2 ILE 47 10.112 5.308 0.849
315 HG23 ILE 47 3HG2 ILE 47 11.763 5.026 1.433
316 HD11 ILE 47 3HD1 ILE 47 10.279 2.424 4.070
317 HD12 ILE 47 1HD1 ILE 47 11.391 3.792 3.977
318 HD13 ILE 47 2HD1 ILE 47 12.012 2.188 4.342
319 H CYS 48 H CYS 48 7.828 5.355 1.632
320 HA CYS 48 HA CYS 48 6.330 4.642 -0.765
321 HB2 CYS 48 2HB CYS 48 4.635 6.056 -0.025
322 HB3 CYS 48 1HB CYS 48 5.160 5.253 1.464
323 H ILE 49 H ILE 49 5.737 6.777 -1.856
324 HA ILE 49 HA ILE 49 7.951 7.974 -3.012
325 HB ILE 49 HB ILE 49 5.842 7.928 -4.112
326 HG12 ILE 49 2HG1 ILE 49 6.656 10.741 -3.541
327 HG13 ILE 49 1HG1 ILE 49 7.452 9.680 -4.703
328 HG21 ILE 49 1HG2 ILE 49 3.964 9.395 -3.490
329 HG22 ILE 49 2HG2 ILE 49 4.843 9.847 -2.019
330 HG23 ILE 49 3HG2 ILE 49 4.317 8.184 -2.258
331 HD11 ILE 49 3HD1 ILE 49 5.992 11.203 -5.872
332 HD12 ILE 49 1HD1 ILE 49 4.618 10.671 -4.871
333 HD13 ILE 49 2HD1 ILE 49 5.395 9.517 -5.940
334 H ASN 50 H ASN 50 5.994 9.179 -0.300
335 HA ASN 50 HA ASN 50 7.376 11.702 -0.108
336 HB2 ASN 50 2HB ASN 50 5.502 10.306 1.827
337 HB3 ASN 50 1HB ASN 50 6.162 11.920 2.072
338 HD21 ASN 50 1HD2 ASN 50 5.351 13.618 0.851
339 HD22 ASN 50 2HD2 ASN 50 3.892 13.452 -0.061
340 H CYS 51 H CYS 51 7.691 8.592 1.329
341 HA CYS 51 HA CYS 51 9.575 9.421 3.356
342 HB2 CYS 51 2HB CYS 51 8.754 6.680 2.391
343 HB3 CYS 51 1HB CYS 51 10.035 6.919 3.557
344 H ALA 52 H ALA 52 9.732 8.387 0.084
345 HA ALA 52 HA ALA 52 12.556 7.722 0.210
346 HB1 ALA 52 3HB ALA 52 10.700 7.824 -2.158
347 HB2 ALA 52 1HB ALA 52 11.070 6.408 -1.181
348 HB3 ALA 52 2HB ALA 52 12.342 7.167 -2.170
Start of MODEL 3
1 HA SER 1 HA SER 1 -12.537 5.269 3.002
2 HB2 SER 1 2HB SER 1 -14.780 6.354 2.618
3 HB3 SER 1 1HB SER 1 -14.154 7.074 1.145
4 HG SER 1 HG SER 1 -14.497 4.349 1.746
5 H VAL 2 H VAL 2 -10.552 7.489 2.160
6 HA VAL 2 HA VAL 2 -9.564 6.186 -0.300
7 HB VAL 2 HB VAL 2 -9.126 9.079 0.550
8 HG11 VAL 2 1HG1 VAL 2 -8.232 9.376 -1.731
9 HG12 VAL 2 2HG1 VAL 2 -8.412 7.646 -1.995
10 HG13 VAL 2 3HG1 VAL 2 -7.294 8.250 -0.763
11 HG21 VAL 2 3HG2 VAL 2 -10.596 9.718 -1.346
12 HG22 VAL 2 1HG2 VAL 2 -11.461 8.816 -0.101
13 HG23 VAL 2 2HG2 VAL 2 -10.966 8.016 -1.586
14 H CYS 3 H CYS 3 -7.389 5.509 -0.138
15 HA CYS 3 HA CYS 3 -6.273 5.815 2.560
16 HB2 CYS 3 2HB CYS 3 -5.176 3.791 2.267
17 HB3 CYS 3 1HB CYS 3 -6.506 3.514 1.149
18 H ALA 4 H ALA 4 -3.584 5.555 2.121
19 HA ALA 4 HA ALA 4 -2.953 8.100 0.850
20 HB1 ALA 4 1HB ALA 4 -1.946 7.656 3.040
21 HB2 ALA 4 2HB ALA 4 -0.667 7.665 1.812
22 HB3 ALA 4 3HB ALA 4 -1.281 6.145 2.431
23 H ALA 5 H ALA 5 -2.619 7.984 -1.286
24 HA ALA 5 HA ALA 5 -0.330 6.673 -2.335
25 HB1 ALA 5 1HB ALA 5 -1.825 4.684 -2.426
26 HB2 ALA 5 2HB ALA 5 -1.460 5.235 -4.044
27 HB3 ALA 5 3HB ALA 5 -3.020 5.606 -3.322
28 H GLN 6 H GLN 6 0.330 7.788 -4.253
29 HA GLN 6 HA GLN 6 -0.621 10.132 -5.107
30 HB2 GLN 6 2HB GLN 6 0.340 7.923 -6.978
31 HB3 GLN 6 1HB GLN 6 0.426 9.656 -7.255
32 HG2 GLN 6 2HG GLN 6 2.082 9.846 -5.518
33 HG3 GLN 6 1HG GLN 6 1.895 8.128 -5.148
34 HE21 GLN 6 1HE2 GLN 6 2.704 6.559 -6.627
35 HE22 GLN 6 2HE2 GLN 6 3.829 7.022 -7.839
36 H ASN 7 H ASN 7 -1.536 7.071 -6.176
37 HA ASN 7 HA ASN 7 -4.135 8.098 -7.184
38 HB2 ASN 7 2HB ASN 7 -2.774 7.664 -9.137
39 HB3 ASN 7 1HB ASN 7 -2.414 6.031 -8.576
40 HD21 ASN 7 1HD2 ASN 7 -3.934 4.452 -8.792
41 HD22 ASN 7 2HD2 ASN 7 -5.360 4.621 -9.752
42 H CYS 8 H CYS 8 -5.482 7.341 -5.547
43 HA CYS 8 HA CYS 8 -5.109 4.557 -5.001
44 HB2 CYS 8 2HB CYS 8 -5.200 5.892 -2.961
45 HB3 CYS 8 1HB CYS 8 -6.788 6.521 -3.436
46 H GLN 9 H GLN 9 -6.123 3.270 -6.157
47 HA GLN 9 HA GLN 9 -8.361 3.751 -7.796
48 HB2 GLN 9 2HB GLN 9 -7.233 1.201 -6.708
49 HB3 GLN 9 1HB GLN 9 -8.359 1.251 -8.033
50 HG2 GLN 9 2HG GLN 9 -6.611 2.551 -9.314
51 HG3 GLN 9 1HG GLN 9 -5.531 2.283 -7.948
52 HE21 GLN 9 1HE2 GLN 9 -4.076 1.045 -9.152
53 HE22 GLN 9 2HE2 GLN 9 -4.469 -0.548 -9.694
54 H ARG 10 H ARG 10 -8.175 3.372 -4.473
55 HA ARG 10 HA ARG 10 -9.475 2.651 -2.759
56 HB2 ARG 10 2HB ARG 10 -11.605 3.571 -4.675
57 HB3 ARG 10 1HB ARG 10 -11.905 3.204 -2.985
58 HG2 ARG 10 2HG ARG 10 -10.392 5.006 -2.334
59 HG3 ARG 10 1HG ARG 10 -10.088 5.377 -4.040
60 HD2 ARG 10 2HD ARG 10 -11.726 6.909 -3.186
61 HD3 ARG 10 1HD ARG 10 -12.480 5.800 -4.325
62 HE ARG 10 HE ARG 10 -12.659 5.195 -1.472
63 HH11 ARG 10 1HH1 ARG 10 -14.276 6.244 -4.444
64 HH12 ARG 10 2HH1 ARG 10 -15.851 5.993 -3.827
65 HH21 ARG 10 1HH2 ARG 10 -14.833 4.939 -0.620
66 HH22 ARG 10 2HH2 ARG 10 -16.166 5.253 -1.627
67 HA PRO 11 HA PRO 11 -10.786 -1.285 -5.244
68 HB2 PRO 11 2HB PRO 11 -8.469 -2.586 -3.944
69 HB3 PRO 11 1HB PRO 11 -8.965 -2.627 -5.643
70 HG2 PRO 11 2HG PRO 11 -6.800 -1.273 -4.887
71 HG3 PRO 11 1HG PRO 11 -7.901 -0.640 -6.140
72 HD2 PRO 11 2HD PRO 11 -7.714 0.101 -3.240
73 HD3 PRO 11 1HD PRO 11 -7.839 1.149 -4.669
74 H CYS 12 H CYS 12 -12.245 -2.477 -4.258
75 HA CYS 12 HA CYS 12 -12.021 -2.718 -1.380
76 HB2 CYS 12 2HB CYS 12 -14.481 -2.506 -3.088
77 HB3 CYS 12 1HB CYS 12 -14.481 -2.752 -1.339
78 HG CYS 12 HG CYS 12 -13.005 0.026 -2.728
79 H LYS 13 H LYS 13 -11.092 -4.668 -1.240
80 HA LYS 13 HA LYS 13 -12.842 -6.894 -1.828
81 HB2 LYS 13 2HB LYS 13 -9.869 -6.821 -2.292
82 HB3 LYS 13 1HB LYS 13 -10.770 -8.318 -2.145
83 HG2 LYS 13 2HG LYS 13 -12.095 -7.548 -4.171
84 HG3 LYS 13 1HG LYS 13 -10.904 -6.246 -4.327
85 HD2 LYS 13 2HD LYS 13 -9.094 -7.821 -4.538
86 HD3 LYS 13 1HD LYS 13 -10.186 -9.169 -4.221
87 HE2 LYS 13 2HE LYS 13 -11.386 -8.598 -6.318
88 HE3 LYS 13 1HE LYS 13 -10.177 -7.345 -6.622
89 HZ1 LYS 13 3HZ LYS 13 -9.715 -9.393 -7.795
90 HZ2 LYS 13 1HZ LYS 13 -9.611 -10.243 -6.341
91 HZ3 LYS 13 2HZ LYS 13 -8.472 -9.063 -6.714
92 H ASP 14 H ASP 14 -12.674 -8.539 -0.280
93 HA ASP 14 HA ASP 14 -11.775 -7.548 2.275
94 HB2 ASP 14 2HB ASP 14 -12.986 -10.176 1.461
95 HB3 ASP 14 1HB ASP 14 -12.605 -9.760 3.125
96 H LYS 15 H LYS 15 -10.783 -10.238 -0.001
97 HA LYS 15 HA LYS 15 -8.547 -10.740 1.619
98 HB2 LYS 15 2HB LYS 15 -9.255 -11.676 -1.172
99 HB3 LYS 15 1HB LYS 15 -8.059 -12.355 -0.080
100 HG2 LYS 15 2HG LYS 15 -9.791 -13.077 1.441
101 HG3 LYS 15 1HG LYS 15 -11.030 -12.316 0.434
102 HD2 LYS 15 2HD LYS 15 -10.427 -13.821 -1.406
103 HD3 LYS 15 1HD LYS 15 -9.222 -14.586 -0.372
104 HE2 LYS 15 2HE LYS 15 -11.022 -15.203 1.200
105 HE3 LYS 15 1HE LYS 15 -12.195 -14.497 0.110
106 HZ1 LYS 15 3HZ LYS 15 -12.074 -16.875 -0.172
107 HZ2 LYS 15 1HZ LYS 15 -10.428 -16.781 -0.554
108 HZ3 LYS 15 2HZ LYS 15 -11.553 -16.097 -1.586
109 H VAL 16 H VAL 16 -7.456 -8.682 1.620
110 HA VAL 16 HA VAL 16 -5.540 -8.486 -0.403
111 HB VAL 16 HB VAL 16 -7.215 -7.304 -1.736
112 HG11 VAL 16 1HG1 VAL 16 -7.499 -5.525 0.636
113 HG12 VAL 16 2HG1 VAL 16 -8.696 -6.676 0.038
114 HG13 VAL 16 3HG1 VAL 16 -8.301 -5.242 -0.921
115 HG21 VAL 16 3HG2 VAL 16 -6.094 -5.168 -2.102
116 HG22 VAL 16 1HG2 VAL 16 -4.888 -6.438 -1.823
117 HG23 VAL 16 2HG2 VAL 16 -5.292 -5.308 -0.532
118 H ASP 17 H ASP 17 -3.969 -8.279 0.773
119 HA ASP 17 HA ASP 17 -3.811 -6.888 3.216
120 HB2 ASP 17 2HB ASP 17 -1.503 -7.912 1.544
121 HB3 ASP 17 1HB ASP 17 -1.439 -7.428 3.242
122 H TRP 18 H TRP 18 -2.739 -5.089 3.839
123 HA TRP 18 HA TRP 18 -2.395 -2.925 1.838
124 HB2 TRP 18 2HB TRP 18 -3.220 -2.861 4.757
125 HB3 TRP 18 1HB TRP 18 -2.929 -1.432 3.759
126 HD1 TRP 18 HD TRP 18 -5.116 -4.588 3.147
127 HE1 TRP 18 1HE TRP 18 -7.437 -3.845 2.537
128 HE3 TRP 18 3HE TRP 18 -4.401 0.441 3.578
129 HZ2 TRP 18 2HZ TRP 18 -8.863 -1.363 2.288
130 HZ3 TRP 18 3HZ TRP 18 -6.294 1.940 3.142
131 HH2 TRP 18 HH TRP 18 -8.492 1.053 2.514
132 H VAL 19 H VAL 19 -0.668 -1.210 2.471
133 HA VAL 19 HA VAL 19 1.379 -2.468 4.055
134 HB VAL 19 HB VAL 19 3.093 -1.530 2.462
135 HG11 VAL 19 1HG1 VAL 19 1.189 -3.505 1.229
136 HG12 VAL 19 2HG1 VAL 19 2.479 -3.864 2.368
137 HG13 VAL 19 3HG1 VAL 19 2.875 -3.264 0.768
138 HG21 VAL 19 3HG2 VAL 19 2.405 -0.876 0.198
139 HG22 VAL 19 1HG2 VAL 19 1.702 0.176 1.419
140 HG23 VAL 19 2HG2 VAL 19 0.714 -1.067 0.653
141 H GLN 20 H GLN 20 2.376 -1.143 5.391
142 HA GLN 20 HA GLN 20 1.572 1.689 5.477
143 HB2 GLN 20 2HB GLN 20 1.180 0.287 7.520
144 HB3 GLN 20 1HB GLN 20 2.882 -0.068 7.559
145 HG2 GLN 20 2HG GLN 20 3.385 2.335 7.900
146 HG3 GLN 20 1HG GLN 20 1.657 2.644 7.908
147 HE21 GLN 20 1HE2 GLN 20 3.694 3.040 10.011
148 HE22 GLN 20 2HE2 GLN 20 3.124 2.217 11.375
149 H CYS 21 H CYS 21 3.153 3.273 5.259
150 HA CYS 21 HA CYS 21 5.753 2.193 4.609
151 HB2 CYS 21 2HB CYS 21 6.396 4.465 3.714
152 HB3 CYS 21 1HB CYS 21 4.886 3.929 3.077
153 H ASP 22 H ASP 22 6.872 1.642 6.172
154 HA ASP 22 HA ASP 22 6.769 2.952 8.777
155 HB2 ASP 22 2HB ASP 22 8.341 0.528 7.807
156 HB3 ASP 22 1HB ASP 22 8.456 1.166 9.436
157 H GLY 23 H GLY 23 7.926 4.196 6.366
158 HA2 GLY 23 2HA GLY 23 10.728 4.511 7.173
159 HA3 GLY 23 1HA GLY 23 10.091 4.886 5.570
160 H GLY 24 H GLY 24 7.871 6.045 7.842
161 HA2 GLY 24 2HA GLY 24 8.827 8.222 9.051
162 HA3 GLY 24 1HA GLY 24 8.936 8.724 7.379
163 H CYS 25 H CYS 25 6.323 7.488 6.631
164 HA CYS 25 HA CYS 25 4.763 9.744 7.677
165 HB2 CYS 25 2HB CYS 25 3.777 7.833 5.565
166 HB3 CYS 25 1HB CYS 25 3.269 9.491 5.860
167 H ASP 26 H ASP 26 4.930 6.299 7.723
168 HA ASP 26 HA ASP 26 3.745 4.599 8.631
169 HB2 ASP 26 2HB ASP 26 2.977 6.773 10.599
170 HB3 ASP 26 1HB ASP 26 2.557 5.089 10.820
171 H GLU 27 H GLU 27 2.402 6.277 6.561
172 HA GLU 27 HA GLU 27 -0.357 5.913 7.273
173 HB2 GLU 27 2HB GLU 27 0.886 7.072 4.791
174 HB3 GLU 27 1HB GLU 27 -0.840 6.928 5.024
175 HG2 GLU 27 2HG GLU 27 -0.667 8.340 7.042
176 HG3 GLU 27 1HG GLU 27 1.054 8.538 6.742
177 H TRP 28 H TRP 28 -1.830 4.970 5.577
178 HA TRP 28 HA TRP 28 -0.747 2.290 4.945
179 HB2 TRP 28 2HB TRP 28 -3.571 3.073 5.717
180 HB3 TRP 28 1HB TRP 28 -3.063 1.454 5.245
181 HD1 TRP 28 HD TRP 28 -2.368 4.040 8.052
182 HE1 TRP 28 1HE TRP 28 -1.648 2.768 10.148
183 HE3 TRP 28 3HE TRP 28 -2.268 -0.680 6.112
184 HZ2 TRP 28 2HZ TRP 28 -1.113 0.106 10.900
185 HZ3 TRP 28 3HZ TRP 28 -1.648 -2.550 7.594
186 HH2 TRP 28 HH TRP 28 -1.077 -2.153 9.943
187 H PHE 29 H PHE 29 -0.647 1.659 2.995
188 HA PHE 29 HA PHE 29 -2.101 3.094 0.868
189 HB2 PHE 29 2HB PHE 29 0.576 1.635 0.610
190 HB3 PHE 29 1HB PHE 29 -0.199 2.688 -0.550
191 HD1 PHE 29 1HD PHE 29 1.033 2.884 2.966
192 HD2 PHE 29 2HD PHE 29 0.721 4.818 -0.809
193 HE1 PHE 29 1HE PHE 29 2.349 4.745 3.824
194 HE2 PHE 29 2HE PHE 29 2.041 6.706 0.060
195 HZ PHE 29 HZ PHE 29 2.863 6.641 2.425
196 H HIS 30 H HIS 30 -2.604 1.701 -0.951
197 HA HIS 30 HA HIS 30 -3.158 -1.140 -0.291
198 HB2 HIS 30 2HB HIS 30 -4.056 0.690 -2.466
199 HB3 HIS 30 1HB HIS 30 -4.272 -0.963 -2.794
200 HD2 HIS 30 2HD HIS 30 -6.282 -2.085 -0.793
201 HE1 HIS 30 1HE HIS 30 -8.093 1.732 -0.563
202 HE2 HIS 30 2HE HIS 30 -8.428 -0.765 -0.369
203 H GLN 31 H GLN 31 -2.044 -2.781 -1.286
204 HA GLN 31 HA GLN 31 0.347 -2.207 -2.520
205 HB2 GLN 31 2HB GLN 31 -1.236 -4.788 -2.609
206 HB3 GLN 31 1HB GLN 31 0.337 -4.613 -3.373
207 HG2 GLN 31 2HG GLN 31 1.325 -4.080 -1.198
208 HG3 GLN 31 1HG GLN 31 -0.223 -4.256 -0.418
209 HE21 GLN 31 1HE2 GLN 31 -1.104 -6.290 -0.183
210 HE22 GLN 31 2HE2 GLN 31 -0.196 -7.729 -0.379
211 H VAL 32 H VAL 32 -2.723 -2.991 -4.165
212 HA VAL 32 HA VAL 32 -1.530 -2.837 -6.742
213 HB VAL 32 HB VAL 32 -3.645 -4.065 -6.423
214 HG11 VAL 32 1HG1 VAL 32 -4.635 -2.622 -4.750
215 HG12 VAL 32 2HG1 VAL 32 -5.752 -2.740 -6.172
216 HG13 VAL 32 3HG1 VAL 32 -4.701 -1.339 -5.952
217 HG21 VAL 32 3HG2 VAL 32 -3.923 -1.686 -8.171
218 HG22 VAL 32 1HG2 VAL 32 -4.894 -3.162 -8.323
219 HG23 VAL 32 2HG2 VAL 32 -3.124 -3.189 -8.628
220 H CYS 33 H CYS 33 -3.078 -0.560 -4.768
221 HA CYS 33 HA CYS 33 -3.321 1.476 -6.828
222 HB2 CYS 33 2HB CYS 33 -4.466 2.894 -5.367
223 HB3 CYS 33 1HB CYS 33 -4.897 1.332 -4.781
224 H VAL 34 H VAL 34 -0.792 0.851 -4.392
225 HA VAL 34 HA VAL 34 0.518 3.197 -5.426
226 HB VAL 34 HB VAL 34 0.175 2.533 -2.817
227 HG11 VAL 34 1HG1 VAL 34 1.010 0.396 -2.903
228 HG12 VAL 34 2HG1 VAL 34 1.855 1.475 -1.802
229 HG13 VAL 34 3HG1 VAL 34 2.591 1.062 -3.362
230 HG21 VAL 34 3HG2 VAL 34 1.994 3.853 -2.265
231 HG22 VAL 34 1HG2 VAL 34 1.155 4.466 -3.687
232 HG23 VAL 34 2HG2 VAL 34 2.724 3.636 -3.893
233 H GLY 35 H GLY 35 0.144 0.331 -6.437
234 HA2 GLY 35 2HA GLY 35 1.304 -1.273 -7.728
235 HA3 GLY 35 1HA GLY 35 2.468 0.022 -7.952
236 H VAL 36 H VAL 36 1.706 -1.810 -4.953
237 HA VAL 36 HA VAL 36 4.467 -2.733 -4.806
238 HB VAL 36 HB VAL 36 2.137 -2.941 -2.856
239 HG11 VAL 36 1HG1 VAL 36 4.991 -3.681 -2.342
240 HG12 VAL 36 2HG1 VAL 36 3.651 -4.791 -2.587
241 HG13 VAL 36 3HG1 VAL 36 3.641 -3.718 -1.186
242 HG21 VAL 36 3HG2 VAL 36 2.843 -0.729 -3.052
243 HG22 VAL 36 1HG2 VAL 36 4.548 -1.173 -2.887
244 HG23 VAL 36 2HG2 VAL 36 3.454 -1.382 -1.518
245 H SER 37 H SER 37 4.968 -5.157 -4.765
246 HA SER 37 HA SER 37 2.809 -6.763 -5.724
247 HB2 SER 37 2HB SER 37 4.791 -8.235 -6.203
248 HB3 SER 37 1HB SER 37 4.828 -6.706 -7.088
249 HG SER 37 HG SER 37 6.812 -6.869 -6.241
250 HA PRO 38 HA PRO 38 2.129 -8.670 -1.814
251 HB2 PRO 38 2HB PRO 38 2.669 -11.359 -2.405
252 HB3 PRO 38 1HB PRO 38 1.116 -10.516 -2.641
253 HG2 PRO 38 2HG PRO 38 3.331 -10.980 -4.599
254 HG3 PRO 38 1HG PRO 38 1.582 -11.190 -4.854
255 HD2 PRO 38 2HD PRO 38 2.758 -9.038 -5.795
256 HD3 PRO 38 1HD PRO 38 1.239 -8.847 -4.889
257 H GLU 39 H GLU 39 5.093 -9.873 -3.460
258 HA GLU 39 HA GLU 39 6.435 -10.769 -1.200
259 HB2 GLU 39 2HB GLU 39 7.238 -9.918 -3.946
260 HB3 GLU 39 1HB GLU 39 8.368 -10.547 -2.760
261 HG2 GLU 39 2HG GLU 39 7.214 -12.631 -2.675
262 HG3 GLU 39 1HG GLU 39 5.944 -12.023 -3.747
263 H MET 40 H MET 40 6.134 -7.504 -2.543
264 HA MET 40 HA MET 40 8.536 -6.740 -1.196
265 HB2 MET 40 2HB MET 40 7.453 -5.494 -3.317
266 HB3 MET 40 1HB MET 40 6.401 -4.891 -2.132
267 HG2 MET 40 2HG MET 40 7.835 -3.624 -1.021
268 HG3 MET 40 1HG MET 40 9.288 -4.502 -1.526
269 HE1 MET 40 3HE MET 40 6.556 -1.839 -2.428
270 HE2 MET 40 1HE MET 40 6.338 -3.034 -3.708
271 HE3 MET 40 2HE MET 40 6.949 -1.429 -4.106
272 H ALA 41 H ALA 41 5.109 -6.653 -0.567
273 HA ALA 41 HA ALA 41 5.151 -5.287 1.855
274 HB1 ALA 41 1HB ALA 41 3.249 -7.506 1.005
275 HB2 ALA 41 2HB ALA 41 3.047 -5.810 0.631
276 HB3 ALA 41 3HB ALA 41 2.972 -6.347 2.291
277 H GLU 42 H GLU 42 5.432 -8.734 1.267
278 HA GLU 42 HA GLU 42 5.779 -9.288 4.112
279 HB2 GLU 42 2HB GLU 42 5.809 -11.203 1.801
280 HB3 GLU 42 1HB GLU 42 6.060 -11.685 3.452
281 HG2 GLU 42 2HG GLU 42 3.818 -10.845 4.018
282 HG3 GLU 42 1HG GLU 42 3.551 -10.455 2.322
283 H ASN 43 H ASN 43 7.972 -8.952 1.392
284 HA ASN 43 HA ASN 43 10.013 -10.346 2.910
285 HB2 ASN 43 2HB ASN 43 9.830 -9.733 -0.019
286 HB3 ASN 43 1HB ASN 43 11.197 -10.526 0.743
287 HD21 ASN 43 1HD2 ASN 43 10.932 -12.637 1.420
288 HD22 ASN 43 2HD2 ASN 43 9.620 -13.663 0.927
289 H GLU 44 H GLU 44 9.238 -7.154 1.640
290 HA GLU 44 HA GLU 44 11.908 -6.339 2.503
291 HB2 GLU 44 2HB GLU 44 10.571 -5.390 -0.047
292 HB3 GLU 44 1HB GLU 44 12.050 -4.708 0.623
293 HG2 GLU 44 2HG GLU 44 13.125 -6.940 0.369
294 HG3 GLU 44 1HG GLU 44 11.657 -7.531 -0.398
295 H ASP 45 H ASP 45 12.058 -3.874 2.601
296 HA ASP 45 HA ASP 45 10.028 -3.001 4.472
297 HB2 ASP 45 2HB ASP 45 12.487 -1.521 3.474
298 HB3 ASP 45 1HB ASP 45 11.546 -1.141 4.903
299 H TYR 46 H TYR 46 8.232 -2.023 3.705
300 HA TYR 46 HA TYR 46 8.264 -0.755 1.146
301 HB2 TYR 46 2HB TYR 46 6.127 -1.811 1.649
302 HB3 TYR 46 1HB TYR 46 5.951 -0.883 3.132
303 HD1 TYR 46 1HD TYR 46 5.925 -0.627 -0.612
304 HD2 TYR 46 2HD TYR 46 4.978 1.269 3.069
305 HE1 TYR 46 1HE TYR 46 4.649 1.205 -1.820
306 HE2 TYR 46 2HE TYR 46 3.744 3.039 1.804
307 HH TYR 46 HH TYR 46 2.982 2.750 -1.379
308 H ILE 47 H ILE 47 8.953 0.937 0.718
309 HA ILE 47 HA ILE 47 8.830 3.345 2.480
310 HB ILE 47 HB ILE 47 10.602 2.954 0.027
311 HG12 ILE 47 2HG1 ILE 47 11.236 1.337 1.782
312 HG13 ILE 47 1HG1 ILE 47 12.488 2.553 1.548
313 HG21 ILE 47 1HG2 ILE 47 10.646 4.913 2.276
314 HG22 ILE 47 2HG2 ILE 47 10.158 5.281 0.612
315 HG23 ILE 47 3HG2 ILE 47 11.852 4.905 0.983
316 HD11 ILE 47 3HD1 ILE 47 10.475 2.457 3.811
317 HD12 ILE 47 1HD1 ILE 47 11.693 3.716 3.578
318 HD13 ILE 47 2HD1 ILE 47 12.185 2.050 3.901
319 H CYS 48 H CYS 48 7.866 5.383 1.482
320 HA CYS 48 HA CYS 48 6.259 4.672 -0.858
321 HB2 CYS 48 2HB CYS 48 4.626 6.166 -0.101
322 HB3 CYS 48 1HB CYS 48 5.127 5.332 1.375
323 H ILE 49 H ILE 49 5.627 6.864 -1.925
324 HA ILE 49 HA ILE 49 7.770 8.081 -3.228
325 HB ILE 49 HB ILE 49 5.562 8.100 -4.153
326 HG12 ILE 49 2HG1 ILE 49 6.535 10.867 -3.571
327 HG13 ILE 49 1HG1 ILE 49 7.178 9.781 -4.809
328 HG21 ILE 49 1HG2 ILE 49 4.793 9.978 -1.922
329 HG22 ILE 49 2HG2 ILE 49 4.184 8.333 -2.175
330 HG23 ILE 49 3HG2 ILE 49 3.792 9.605 -3.324
331 HD11 ILE 49 3HD1 ILE 49 5.683 11.454 -5.767
332 HD12 ILE 49 1HD1 ILE 49 4.390 10.880 -4.708
333 HD13 ILE 49 2HD1 ILE 49 5.034 9.808 -5.939
334 H ASN 50 H ASN 50 6.081 9.197 -0.325
335 HA ASN 50 HA ASN 50 7.496 11.708 -0.196
336 HB2 ASN 50 2HB ASN 50 5.731 10.340 1.840
337 HB3 ASN 50 1HB ASN 50 6.392 11.966 2.019
338 HD21 ASN 50 1HD2 ASN 50 5.477 13.641 0.858
339 HD22 ASN 50 2HD2 ASN 50 4.006 13.458 -0.020
340 H CYS 51 H CYS 51 7.825 8.567 1.135
341 HA CYS 51 HA CYS 51 9.849 9.300 3.057
342 HB2 CYS 51 2HB CYS 51 8.866 6.625 2.064
343 HB3 CYS 51 1HB CYS 51 10.238 6.763 3.148
344 H ALA 52 H ALA 52 9.777 8.272 -0.245
345 HA ALA 52 HA ALA 52 12.609 7.580 -0.288
346 HB1 ALA 52 3HB ALA 52 11.072 6.197 -1.566
347 HB2 ALA 52 1HB ALA 52 12.248 6.941 -2.631
348 HB3 ALA 52 2HB ALA 52 10.604 7.573 -2.564
Start of MODEL 4
1 HA SER 1 HA SER 1 -12.931 4.974 2.797
2 HB2 SER 1 2HB SER 1 -14.392 6.339 1.220
3 HB3 SER 1 1HB SER 1 -14.781 6.551 2.924
4 HG SER 1 HG SER 1 -14.128 8.530 2.857
5 H VAL 2 H VAL 2 -10.538 7.258 2.377
6 HA VAL 2 HA VAL 2 -9.663 6.035 -0.149
7 HB VAL 2 HB VAL 2 -9.338 8.959 0.634
8 HG11 VAL 2 1HG1 VAL 2 -8.444 9.258 -1.657
9 HG12 VAL 2 2HG1 VAL 2 -8.528 7.512 -1.881
10 HG13 VAL 2 3HG1 VAL 2 -7.454 8.209 -0.661
11 HG21 VAL 2 3HG2 VAL 2 -10.831 9.478 -1.286
12 HG22 VAL 2 1HG2 VAL 2 -11.649 8.551 -0.022
13 HG23 VAL 2 2HG2 VAL 2 -11.105 7.753 -1.488
14 H CYS 3 H CYS 3 -7.473 5.384 -0.044
15 HA CYS 3 HA CYS 3 -6.254 5.741 2.566
16 HB2 CYS 3 2HB CYS 3 -5.093 3.763 2.177
17 HB3 CYS 3 1HB CYS 3 -6.439 3.474 1.089
18 H ALA 4 H ALA 4 -3.578 5.642 2.029
19 HA ALA 4 HA ALA 4 -3.065 8.190 0.694
20 HB1 ALA 4 1HB ALA 4 -1.302 6.348 2.311
21 HB2 ALA 4 2HB ALA 4 -2.015 7.847 2.900
22 HB3 ALA 4 3HB ALA 4 -0.774 7.877 1.632
23 H ALA 5 H ALA 5 -2.704 8.011 -1.448
24 HA ALA 5 HA ALA 5 -0.408 6.677 -2.443
25 HB1 ALA 5 1HB ALA 5 -3.055 5.549 -3.410
26 HB2 ALA 5 2HB ALA 5 -1.898 4.682 -2.409
27 HB3 ALA 5 3HB ALA 5 -1.470 5.125 -4.051
28 H GLN 6 H GLN 6 0.288 7.701 -4.335
29 HA GLN 6 HA GLN 6 -0.604 9.986 -5.344
30 HB2 GLN 6 2HB GLN 6 0.494 7.651 -6.951
31 HB3 GLN 6 1HB GLN 6 0.585 9.353 -7.396
32 HG2 GLN 6 2HG GLN 6 2.109 9.777 -5.616
33 HG3 GLN 6 1HG GLN 6 1.854 8.167 -4.947
34 HE21 GLN 6 1HE2 GLN 6 2.760 6.382 -5.976
35 HE22 GLN 6 2HE2 GLN 6 4.029 6.575 -7.129
36 H ASN 7 H ASN 7 -1.461 6.865 -6.398
37 HA ASN 7 HA ASN 7 -4.038 7.843 -7.559
38 HB2 ASN 7 2HB ASN 7 -2.345 5.612 -8.759
39 HB3 ASN 7 1HB ASN 7 -3.966 6.006 -9.279
40 HD21 ASN 7 1HD2 ASN 7 -1.495 6.011 -10.829
41 HD22 ASN 7 2HD2 ASN 7 -1.343 7.617 -11.431
42 H CYS 8 H CYS 8 -5.423 7.224 -5.860
43 HA CYS 8 HA CYS 8 -5.090 4.466 -5.194
44 HB2 CYS 8 2HB CYS 8 -5.099 5.852 -3.201
45 HB3 CYS 8 1HB CYS 8 -6.678 6.518 -3.662
46 H GLN 9 H GLN 9 -6.152 3.158 -6.237
47 HA GLN 9 HA GLN 9 -8.431 3.605 -7.847
48 HB2 GLN 9 2HB GLN 9 -7.280 1.048 -6.772
49 HB3 GLN 9 1HB GLN 9 -8.388 1.159 -8.124
50 HG2 GLN 9 2HG GLN 9 -6.662 2.404 -9.399
51 HG3 GLN 9 1HG GLN 9 -5.604 2.299 -8.001
52 HE21 GLN 9 1HE2 GLN 9 -4.052 1.219 -9.113
53 HE22 GLN 9 2HE2 GLN 9 -4.221 -0.435 -9.592
54 H ARG 10 H ARG 10 -8.202 3.352 -4.540
55 HA ARG 10 HA ARG 10 -9.478 2.749 -2.762
56 HB2 ARG 10 2HB ARG 10 -11.670 3.469 -4.701
57 HB3 ARG 10 1HB ARG 10 -11.900 3.308 -2.967
58 HG2 ARG 10 2HG ARG 10 -10.281 5.154 -2.633
59 HG3 ARG 10 1HG ARG 10 -10.191 5.356 -4.392
60 HD2 ARG 10 2HD ARG 10 -11.735 6.972 -3.464
61 HD3 ARG 10 1HD ARG 10 -12.619 5.788 -4.426
62 HE ARG 10 HE ARG 10 -12.453 5.177 -1.608
63 HH11 ARG 10 1HH1 ARG 10 -14.397 6.766 -4.113
64 HH12 ARG 10 2HH1 ARG 10 -15.840 6.661 -3.196
65 HH21 ARG 10 1HH2 ARG 10 -14.422 5.041 -0.412
66 HH22 ARG 10 2HH2 ARG 10 -15.868 5.660 -1.082
67 HA PRO 11 HA PRO 11 -10.917 -1.437 -4.756
68 HB2 PRO 11 2HB PRO 11 -8.424 -2.681 -3.825
69 HB3 PRO 11 1HB PRO 11 -9.123 -2.681 -5.447
70 HG2 PRO 11 2HG PRO 11 -6.873 -1.302 -4.855
71 HG3 PRO 11 1HG PRO 11 -8.060 -0.718 -6.048
72 HD2 PRO 11 2HD PRO 11 -7.685 0.103 -3.188
73 HD3 PRO 11 1HD PRO 11 -7.936 1.098 -4.637
74 H CYS 12 H CYS 12 -12.123 -2.750 -3.519
75 HA CYS 12 HA CYS 12 -11.405 -3.078 -0.700
76 HB2 CYS 12 2HB CYS 12 -13.279 -1.474 -0.988
77 HB3 CYS 12 1HB CYS 12 -14.146 -2.707 -1.906
78 HG CYS 12 HG CYS 12 -14.097 -2.204 1.336
79 H LYS 13 H LYS 13 -10.954 -5.183 -0.369
80 HA LYS 13 HA LYS 13 -12.787 -7.209 -1.290
81 HB2 LYS 13 2HB LYS 13 -9.807 -7.356 -1.817
82 HB3 LYS 13 1HB LYS 13 -10.911 -8.712 -1.968
83 HG2 LYS 13 2HG LYS 13 -12.073 -7.448 -3.786
84 HG3 LYS 13 1HG LYS 13 -10.821 -6.211 -3.643
85 HD2 LYS 13 2HD LYS 13 -9.091 -7.838 -4.157
86 HD3 LYS 13 1HD LYS 13 -10.304 -9.109 -4.285
87 HE2 LYS 13 2HE LYS 13 -11.324 -7.896 -6.181
88 HE3 LYS 13 1HE LYS 13 -10.051 -6.669 -6.047
89 HZ1 LYS 13 3HZ LYS 13 -9.547 -8.286 -7.753
90 HZ2 LYS 13 1HZ LYS 13 -9.661 -9.546 -6.650
91 HZ3 LYS 13 2HZ LYS 13 -8.423 -8.404 -6.526
92 H ASP 14 H ASP 14 -12.353 -9.249 -0.077
93 HA ASP 14 HA ASP 14 -11.464 -8.684 2.644
94 HB2 ASP 14 2HB ASP 14 -12.443 -11.268 1.389
95 HB3 ASP 14 1HB ASP 14 -12.147 -11.016 3.101
96 H LYS 15 H LYS 15 -10.095 -9.504 -0.178
97 HA LYS 15 HA LYS 15 -7.816 -10.859 1.051
98 HB2 LYS 15 2HB LYS 15 -9.014 -11.461 -1.670
99 HB3 LYS 15 1HB LYS 15 -7.584 -12.200 -0.981
100 HG2 LYS 15 2HG LYS 15 -8.899 -13.291 0.713
101 HG3 LYS 15 1HG LYS 15 -10.354 -12.443 0.163
102 HD2 LYS 15 2HD LYS 15 -10.144 -13.538 -2.019
103 HD3 LYS 15 1HD LYS 15 -8.723 -14.399 -1.423
104 HE2 LYS 15 2HE LYS 15 -10.067 -15.529 0.241
105 HE3 LYS 15 1HE LYS 15 -11.492 -14.610 -0.226
106 HZ1 LYS 15 3HZ LYS 15 -11.441 -16.844 -1.136
107 HZ2 LYS 15 1HZ LYS 15 -10.026 -16.512 -1.959
108 HZ3 LYS 15 2HZ LYS 15 -11.464 -15.714 -2.365
109 H VAL 16 H VAL 16 -6.792 -8.837 1.173
110 HA VAL 16 HA VAL 16 -5.176 -8.182 -0.953
111 HB VAL 16 HB VAL 16 -7.101 -7.100 -2.056
112 HG11 VAL 16 1HG1 VAL 16 -8.480 -6.773 -0.152
113 HG12 VAL 16 2HG1 VAL 16 -8.305 -5.235 -1.022
114 HG13 VAL 16 3HG1 VAL 16 -7.358 -5.569 0.470
115 HG21 VAL 16 3HG2 VAL 16 -6.250 -4.830 -2.330
116 HG22 VAL 16 1HG2 VAL 16 -4.911 -5.987 -2.291
117 HG23 VAL 16 2HG2 VAL 16 -5.283 -4.997 -0.865
118 H ASP 17 H ASP 17 -3.733 -8.253 0.568
119 HA ASP 17 HA ASP 17 -3.639 -6.879 2.972
120 HB2 ASP 17 2HB ASP 17 -1.225 -7.776 1.351
121 HB3 ASP 17 1HB ASP 17 -1.278 -7.332 3.046
122 H TRP 18 H TRP 18 -2.688 -5.082 3.703
123 HA TRP 18 HA TRP 18 -2.334 -2.852 1.800
124 HB2 TRP 18 2HB TRP 18 -3.207 -2.897 4.699
125 HB3 TRP 18 1HB TRP 18 -2.930 -1.428 3.758
126 HD1 TRP 18 HD TRP 18 -5.019 -4.612 3.083
127 HE1 TRP 18 1HE TRP 18 -7.361 -3.923 2.438
128 HE3 TRP 18 3HE TRP 18 -4.425 0.425 3.489
129 HZ2 TRP 18 2HZ TRP 18 -8.835 -1.481 2.163
130 HZ3 TRP 18 3HZ TRP 18 -6.330 1.880 3.024
131 HH2 TRP 18 HH TRP 18 -8.516 0.950 2.371
132 H VAL 19 H VAL 19 -0.676 -1.145 2.511
133 HA VAL 19 HA VAL 19 1.352 -2.359 4.161
134 HB VAL 19 HB VAL 19 3.125 -1.468 2.596
135 HG11 VAL 19 1HG1 VAL 19 1.252 -3.463 1.344
136 HG12 VAL 19 2HG1 VAL 19 2.506 -3.806 2.525
137 HG13 VAL 19 3HG1 VAL 19 2.953 -3.234 0.927
138 HG21 VAL 19 3HG2 VAL 19 0.799 -1.042 0.716
139 HG22 VAL 19 1HG2 VAL 19 2.503 -0.828 0.302
140 HG23 VAL 19 2HG2 VAL 19 1.743 0.235 1.471
141 H GLN 20 H GLN 20 2.292 -1.011 5.544
142 HA GLN 20 HA GLN 20 1.468 1.794 5.585
143 HB2 GLN 20 2HB GLN 20 1.111 0.363 7.660
144 HB3 GLN 20 1HB GLN 20 2.817 0.066 7.692
145 HG2 GLN 20 2HG GLN 20 3.287 2.441 8.084
146 HG3 GLN 20 1HG GLN 20 1.573 2.786 7.985
147 HE21 GLN 20 1HE2 GLN 20 3.475 3.206 10.193
148 HE22 GLN 20 2HE2 GLN 20 2.826 2.429 11.550
149 H CYS 21 H CYS 21 3.050 3.384 5.395
150 HA CYS 21 HA CYS 21 5.630 2.312 4.602
151 HB2 CYS 21 2HB CYS 21 6.201 4.572 3.639
152 HB3 CYS 21 1HB CYS 21 4.675 3.989 3.085
153 H ASP 22 H ASP 22 6.898 1.815 6.057
154 HA ASP 22 HA ASP 22 6.931 3.085 8.643
155 HB2 ASP 22 2HB ASP 22 8.444 0.751 7.477
156 HB3 ASP 22 1HB ASP 22 8.809 1.399 9.067
157 H GLY 23 H GLY 23 7.886 4.454 6.195
158 HA2 GLY 23 2HA GLY 23 10.696 4.937 6.811
159 HA3 GLY 23 1HA GLY 23 9.839 5.534 5.393
160 H GLY 24 H GLY 24 7.644 6.233 7.661
161 HA2 GLY 24 2HA GLY 24 8.352 8.061 9.425
162 HA3 GLY 24 1HA GLY 24 8.770 8.909 7.944
163 H CYS 25 H CYS 25 6.129 7.558 6.794
164 HA CYS 25 HA CYS 25 4.550 9.867 7.671
165 HB2 CYS 25 2HB CYS 25 3.675 7.834 5.603
166 HB3 CYS 25 1HB CYS 25 3.047 9.458 5.838
167 H ASP 26 H ASP 26 4.732 6.446 7.970
168 HA ASP 26 HA ASP 26 3.517 4.768 8.857
169 HB2 ASP 26 2HB ASP 26 2.598 6.977 10.721
170 HB3 ASP 26 1HB ASP 26 2.199 5.300 10.997
171 H GLU 27 H GLU 27 2.281 6.425 6.735
172 HA GLU 27 HA GLU 27 -0.535 6.120 7.228
173 HB2 GLU 27 2HB GLU 27 0.933 7.131 4.804
174 HB3 GLU 27 1HB GLU 27 -0.816 7.054 4.896
175 HG2 GLU 27 2HG GLU 27 -0.802 8.575 6.807
176 HG3 GLU 27 1HG GLU 27 0.961 8.692 6.725
177 H TRP 28 H TRP 28 -1.920 5.082 5.531
178 HA TRP 28 HA TRP 28 -0.772 2.421 4.923
179 HB2 TRP 28 2HB TRP 28 -3.629 3.128 5.651
180 HB3 TRP 28 1HB TRP 28 -3.104 1.539 5.123
181 HD1 TRP 28 HD TRP 28 -2.523 3.990 8.076
182 HE1 TRP 28 1HE TRP 28 -1.839 2.614 10.129
183 HE3 TRP 28 3HE TRP 28 -2.247 -0.611 5.888
184 HZ2 TRP 28 2HZ TRP 28 -1.256 -0.079 10.744
185 HZ3 TRP 28 3HZ TRP 28 -1.632 -2.542 7.277
186 HH2 TRP 28 HH TRP 28 -1.146 -2.274 9.659
187 H PHE 29 H PHE 29 -0.667 1.734 2.985
188 HA PHE 29 HA PHE 29 -2.125 3.111 0.812
189 HB2 PHE 29 2HB PHE 29 0.574 1.686 0.597
190 HB3 PHE 29 1HB PHE 29 -0.223 2.661 -0.608
191 HD1 PHE 29 1HD PHE 29 0.975 3.048 2.906
192 HD2 PHE 29 2HD PHE 29 0.658 4.780 -0.972
193 HE1 PHE 29 1HE PHE 29 2.267 4.970 3.666
194 HE2 PHE 29 2HE PHE 29 1.951 6.713 -0.204
195 HZ PHE 29 HZ PHE 29 2.765 6.782 2.172
196 H HIS 30 H HIS 30 -2.595 1.687 -1.042
197 HA HIS 30 HA HIS 30 -3.162 -1.132 -0.332
198 HB2 HIS 30 2HB HIS 30 -4.038 0.659 -2.563
199 HB3 HIS 30 1HB HIS 30 -4.268 -1.010 -2.820
200 HD2 HIS 30 2HD HIS 30 -6.307 -2.043 -0.856
201 HE1 HIS 30 1HE HIS 30 -8.063 1.805 -0.654
202 HE2 HIS 30 2HE HIS 30 -8.450 -0.691 -0.567
203 H GLN 31 H GLN 31 -2.152 -2.796 -1.408
204 HA GLN 31 HA GLN 31 0.304 -2.285 -2.552
205 HB2 GLN 31 2HB GLN 31 -1.342 -4.813 -2.778
206 HB3 GLN 31 1HB GLN 31 0.259 -4.643 -3.471
207 HG2 GLN 31 2HG GLN 31 1.184 -4.217 -1.273
208 HG3 GLN 31 1HG GLN 31 -0.408 -4.375 -0.559
209 HE21 GLN 31 1HE2 GLN 31 -1.355 -6.379 -0.469
210 HE22 GLN 31 2HE2 GLN 31 -0.485 -7.849 -0.672
211 H VAL 32 H VAL 32 -2.752 -2.998 -4.269
212 HA VAL 32 HA VAL 32 -1.522 -2.872 -6.815
213 HB VAL 32 HB VAL 32 -3.650 -4.075 -6.487
214 HG11 VAL 32 1HG1 VAL 32 -4.699 -1.341 -6.094
215 HG12 VAL 32 2HG1 VAL 32 -4.601 -2.595 -4.841
216 HG13 VAL 32 3HG1 VAL 32 -5.738 -2.772 -6.225
217 HG21 VAL 32 3HG2 VAL 32 -3.122 -3.236 -8.727
218 HG22 VAL 32 1HG2 VAL 32 -3.875 -1.708 -8.256
219 HG23 VAL 32 2HG2 VAL 32 -4.869 -3.180 -8.411
220 H CYS 33 H CYS 33 -3.063 -0.577 -4.855
221 HA CYS 33 HA CYS 33 -3.317 1.443 -6.922
222 HB2 CYS 33 2HB CYS 33 -4.502 2.803 -5.445
223 HB3 CYS 33 1HB CYS 33 -4.836 1.230 -4.835
224 H VAL 34 H VAL 34 -0.791 0.874 -4.431
225 HA VAL 34 HA VAL 34 0.533 3.215 -5.497
226 HB VAL 34 HB VAL 34 0.182 2.509 -2.914
227 HG11 VAL 34 1HG1 VAL 34 1.925 1.400 -1.907
228 HG12 VAL 34 2HG1 VAL 34 2.613 1.046 -3.490
229 HG13 VAL 34 3HG1 VAL 34 1.040 0.378 -3.052
230 HG21 VAL 34 3HG2 VAL 34 2.712 3.630 -3.996
231 HG22 VAL 34 1HG2 VAL 34 2.042 3.816 -2.356
232 HG23 VAL 34 2HG2 VAL 34 1.155 4.481 -3.743
233 H GLY 35 H GLY 35 0.195 0.307 -6.473
234 HA2 GLY 35 2HA GLY 35 1.413 -1.360 -7.587
235 HA3 GLY 35 1HA GLY 35 2.549 -0.054 -7.910
236 H VAL 36 H VAL 36 1.649 -2.414 -5.295
237 HA VAL 36 HA VAL 36 4.469 -2.852 -4.780
238 HB VAL 36 HB VAL 36 2.024 -3.024 -2.982
239 HG11 VAL 36 1HG1 VAL 36 3.330 -4.932 -2.485
240 HG12 VAL 36 2HG1 VAL 36 3.555 -3.772 -1.174
241 HG13 VAL 36 3HG1 VAL 36 4.821 -4.006 -2.384
242 HG21 VAL 36 3HG2 VAL 36 2.882 -0.799 -3.111
243 HG22 VAL 36 1HG2 VAL 36 4.517 -1.372 -2.786
244 HG23 VAL 36 2HG2 VAL 36 3.286 -1.477 -1.534
245 H SER 37 H SER 37 5.003 -5.303 -4.651
246 HA SER 37 HA SER 37 2.939 -6.853 -5.856
247 HB2 SER 37 2HB SER 37 4.923 -8.391 -6.132
248 HB3 SER 37 1HB SER 37 5.081 -6.849 -6.979
249 HG SER 37 HG SER 37 6.986 -7.316 -5.837
250 HA PRO 38 HA PRO 38 1.827 -8.808 -2.046
251 HB2 PRO 38 2HB PRO 38 2.185 -11.509 -2.653
252 HB3 PRO 38 1HB PRO 38 0.747 -10.545 -3.061
253 HG2 PRO 38 2HG PRO 38 3.149 -11.154 -4.750
254 HG3 PRO 38 1HG PRO 38 1.431 -11.250 -5.207
255 HD2 PRO 38 2HD PRO 38 2.842 -9.150 -5.971
256 HD3 PRO 38 1HD PRO 38 1.231 -8.895 -5.246
257 H GLU 39 H GLU 39 4.873 -10.065 -3.485
258 HA GLU 39 HA GLU 39 5.835 -11.069 -1.064
259 HB2 GLU 39 2HB GLU 39 6.998 -10.475 -3.730
260 HB3 GLU 39 1HB GLU 39 7.967 -11.059 -2.397
261 HG2 GLU 39 2HG GLU 39 6.549 -13.049 -2.253
262 HG3 GLU 39 1HG GLU 39 5.603 -12.450 -3.607
263 H MET 40 H MET 40 5.895 -7.859 -2.490
264 HA MET 40 HA MET 40 8.292 -7.161 -1.089
265 HB2 MET 40 2HB MET 40 7.263 -5.862 -3.223
266 HB3 MET 40 1HB MET 40 6.282 -5.151 -2.003
267 HG2 MET 40 2HG MET 40 7.977 -4.203 -0.805
268 HG3 MET 40 1HG MET 40 9.261 -5.063 -1.664
269 HE1 MET 40 3HE MET 40 6.145 -2.871 -3.035
270 HE2 MET 40 1HE MET 40 6.955 -1.312 -3.089
271 HE3 MET 40 2HE MET 40 6.761 -2.161 -1.538
272 H ALA 41 H ALA 41 4.837 -6.958 -0.584
273 HA ALA 41 HA ALA 41 4.708 -5.332 1.617
274 HB1 ALA 41 1HB ALA 41 2.554 -6.438 2.100
275 HB2 ALA 41 2HB ALA 41 2.959 -7.738 0.990
276 HB3 ALA 41 3HB ALA 41 2.737 -6.118 0.387
277 H GLU 42 H GLU 42 5.254 -8.749 1.564
278 HA GLU 42 HA GLU 42 5.602 -8.791 4.503
279 HB2 GLU 42 2HB GLU 42 5.618 -11.135 2.630
280 HB3 GLU 42 1HB GLU 42 5.792 -11.230 4.372
281 HG2 GLU 42 2HG GLU 42 3.543 -10.189 4.588
282 HG3 GLU 42 1HG GLU 42 3.386 -10.253 2.848
283 H ASN 43 H ASN 43 7.759 -9.060 1.685
284 HA ASN 43 HA ASN 43 9.720 -10.252 3.442
285 HB2 ASN 43 2HB ASN 43 9.539 -10.137 0.448
286 HB3 ASN 43 1HB ASN 43 11.006 -10.613 1.279
287 HD21 ASN 43 1HD2 ASN 43 9.237 -12.088 -0.542
288 HD22 ASN 43 2HD2 ASN 43 8.751 -13.500 0.320
289 H GLU 44 H GLU 44 8.975 -7.274 1.868
290 HA GLU 44 HA GLU 44 11.638 -6.383 2.588
291 HB2 GLU 44 2HB GLU 44 10.280 -5.726 -0.023
292 HB3 GLU 44 1HB GLU 44 11.768 -4.969 0.540
293 HG2 GLU 44 2HG GLU 44 12.839 -7.212 0.586
294 HG3 GLU 44 1HG GLU 44 11.382 -7.908 -0.089
295 H ASP 45 H ASP 45 11.806 -3.975 2.516
296 HA ASP 45 HA ASP 45 9.787 -3.033 4.370
297 HB2 ASP 45 2HB ASP 45 12.289 -2.960 4.749
298 HB3 ASP 45 1HB ASP 45 12.356 -1.762 3.467
299 H TYR 46 H TYR 46 8.182 -1.837 3.705
300 HA TYR 46 HA TYR 46 8.223 -0.612 1.117
301 HB2 TYR 46 2HB TYR 46 6.113 -1.670 1.631
302 HB3 TYR 46 1HB TYR 46 5.930 -0.721 3.108
303 HD1 TYR 46 2HD TYR 46 5.847 -0.582 -0.618
304 HD2 TYR 46 1HD TYR 46 4.981 1.485 2.998
305 HE1 TYR 46 2HE TYR 46 4.558 1.186 -1.875
306 HE2 TYR 46 1HE TYR 46 3.743 3.187 1.703
307 HH TYR 46 HH TYR 46 2.873 2.744 -1.409
308 H ILE 47 H ILE 47 9.152 0.996 0.867
309 HA ILE 47 HA ILE 47 8.904 3.456 2.521
310 HB ILE 47 HB ILE 47 10.712 2.999 0.093
311 HG12 ILE 47 2HG1 ILE 47 11.397 1.549 1.965
312 HG13 ILE 47 1HG1 ILE 47 12.585 2.804 1.682
313 HG21 ILE 47 1HG2 ILE 47 10.174 5.360 0.475
314 HG22 ILE 47 2HG2 ILE 47 11.872 5.047 0.867
315 HG23 ILE 47 3HG2 ILE 47 10.663 5.160 2.160
316 HD11 ILE 47 3HD1 ILE 47 10.520 2.807 3.892
317 HD12 ILE 47 1HD1 ILE 47 11.701 4.083 3.568
318 HD13 ILE 47 2HD1 ILE 47 12.239 2.462 4.055
319 H CYS 48 H CYS 48 7.906 5.503 1.461
320 HA CYS 48 HA CYS 48 6.339 4.702 -0.852
321 HB2 CYS 48 2HB CYS 48 4.646 6.152 -0.115
322 HB3 CYS 48 1HB CYS 48 5.152 5.342 1.372
323 H ILE 49 H ILE 49 5.673 6.851 -1.948
324 HA ILE 49 HA ILE 49 7.811 8.104 -3.213
325 HB ILE 49 HB ILE 49 5.645 8.084 -4.215
326 HG12 ILE 49 2HG1 ILE 49 6.438 10.879 -3.550
327 HG13 ILE 49 1HG1 ILE 49 7.210 9.861 -4.780
328 HG21 ILE 49 1HG2 ILE 49 4.184 8.210 -2.308
329 HG22 ILE 49 2HG2 ILE 49 3.771 9.496 -3.431
330 HG23 ILE 49 3HG2 ILE 49 4.696 9.858 -1.961
331 HD11 ILE 49 3HD1 ILE 49 4.355 10.783 -4.796
332 HD12 ILE 49 1HD1 ILE 49 5.148 9.759 -5.978
333 HD13 ILE 49 2HD1 ILE 49 5.666 11.444 -5.796
334 H ASN 50 H ASN 50 6.006 9.239 -0.402
335 HA ASN 50 HA ASN 50 7.422 11.744 -0.233
336 HB2 ASN 50 2HB ASN 50 5.589 10.402 1.744
337 HB3 ASN 50 1HB ASN 50 6.244 12.028 1.951
338 HD21 ASN 50 1HD2 ASN 50 5.434 13.694 0.697
339 HD22 ASN 50 2HD2 ASN 50 3.997 13.531 -0.230
340 H CYS 51 H CYS 51 7.681 8.612 1.257
341 HA CYS 51 HA CYS 51 9.613 9.393 3.237
342 HB2 CYS 51 2HB CYS 51 8.738 6.707 2.190
343 HB3 CYS 51 1HB CYS 51 10.065 6.855 3.325
344 H ALA 52 H ALA 52 9.753 8.509 -0.057
345 HA ALA 52 HA ALA 52 12.583 7.857 0.012
346 HB1 ALA 52 3HB ALA 52 11.115 6.670 -1.512
347 HB2 ALA 52 1HB ALA 52 12.355 7.535 -2.407
348 HB3 ALA 52 2HB ALA 52 10.712 8.173 -2.350
Start of MODEL 5
1 HA SER 1 HA SER 1 -12.927 7.583 2.682
2 HB2 SER 1 2HB SER 1 -12.209 4.919 3.979
3 HB3 SER 1 1HB SER 1 -11.439 6.459 4.342
4 HG SER 1 HG SER 1 -13.960 5.506 5.034
5 H VAL 2 H VAL 2 -10.544 7.781 2.319
6 HA VAL 2 HA VAL 2 -9.685 6.210 0.006
7 HB VAL 2 HB VAL 2 -9.136 9.148 0.602
8 HG11 VAL 2 1HG1 VAL 2 -7.283 8.150 -0.573
9 HG12 VAL 2 2HG1 VAL 2 -8.141 9.258 -1.621
10 HG13 VAL 2 3HG1 VAL 2 -8.362 7.521 -1.816
11 HG21 VAL 2 3HG2 VAL 2 -11.439 8.830 -0.080
12 HG22 VAL 2 1HG2 VAL 2 -10.915 7.918 -1.497
13 HG23 VAL 2 2HG2 VAL 2 -10.528 9.626 -1.375
14 H CYS 3 H CYS 3 -7.507 5.487 0.066
15 HA CYS 3 HA CYS 3 -6.279 5.639 2.716
16 HB2 CYS 3 2HB CYS 3 -5.162 3.678 2.146
17 HB3 CYS 3 1HB CYS 3 -6.533 3.510 1.065
18 H ALA 4 H ALA 4 -3.614 5.525 2.168
19 HA ALA 4 HA ALA 4 -3.076 8.125 0.930
20 HB1 ALA 4 1HB ALA 4 -0.796 7.824 1.930
21 HB2 ALA 4 2HB ALA 4 -1.303 6.262 2.521
22 HB3 ALA 4 3HB ALA 4 -2.090 7.727 3.125
23 H ALA 5 H ALA 5 -2.676 8.064 -1.211
24 HA ALA 5 HA ALA 5 -0.375 6.777 -2.215
25 HB1 ALA 5 1HB ALA 5 -2.986 5.689 -3.305
26 HB2 ALA 5 2HB ALA 5 -1.873 4.786 -2.250
27 HB3 ALA 5 3HB ALA 5 -1.367 5.237 -3.860
28 H GLN 6 H GLN 6 0.332 7.802 -4.102
29 HA GLN 6 HA GLN 6 -0.467 10.125 -5.106
30 HB2 GLN 6 2HB GLN 6 1.511 8.723 -5.758
31 HB3 GLN 6 1HB GLN 6 0.449 7.778 -6.796
32 HG2 GLN 6 2HG GLN 6 1.530 9.295 -8.200
33 HG3 GLN 6 1HG GLN 6 -0.090 9.980 -7.927
34 HE21 GLN 6 1HE2 GLN 6 -0.298 11.888 -6.703
35 HE22 GLN 6 2HE2 GLN 6 1.084 12.834 -6.310
36 H ASN 7 H ASN 7 -1.569 7.085 -6.015
37 HA ASN 7 HA ASN 7 -4.124 8.204 -7.060
38 HB2 ASN 7 2HB ASN 7 -2.730 7.780 -9.028
39 HB3 ASN 7 1HB ASN 7 -2.551 6.085 -8.555
40 HD21 ASN 7 1HD2 ASN 7 -4.691 8.477 -9.853
41 HD22 ASN 7 2HD2 ASN 7 -5.900 7.378 -10.395
42 H CYS 8 H CYS 8 -5.637 7.385 -5.720
43 HA CYS 8 HA CYS 8 -5.265 4.583 -5.189
44 HB2 CYS 8 2HB CYS 8 -5.346 5.847 -3.131
45 HB3 CYS 8 1HB CYS 8 -6.953 6.446 -3.527
46 H GLN 9 H GLN 9 -6.301 3.244 -6.192
47 HA GLN 9 HA GLN 9 -8.466 3.732 -7.955
48 HB2 GLN 9 2HB GLN 9 -7.283 1.177 -6.889
49 HB3 GLN 9 1HB GLN 9 -8.286 1.297 -8.319
50 HG2 GLN 9 2HG GLN 9 -6.529 2.644 -9.423
51 HG3 GLN 9 1HG GLN 9 -5.577 2.572 -7.937
52 HE21 GLN 9 1HE2 GLN 9 -3.871 1.631 -8.984
53 HE22 GLN 9 2HE2 GLN 9 -3.900 -0.006 -9.508
54 H ARG 10 H ARG 10 -8.358 3.298 -4.646
55 HA ARG 10 HA ARG 10 -9.686 2.522 -2.928
56 HB2 ARG 10 2HB ARG 10 -11.907 3.334 -4.831
57 HB3 ARG 10 1HB ARG 10 -12.092 3.016 -3.111
58 HG2 ARG 10 2HG ARG 10 -10.608 4.914 -2.610
59 HG3 ARG 10 1HG ARG 10 -10.467 5.248 -4.337
60 HD2 ARG 10 2HD ARG 10 -12.097 6.714 -3.339
61 HD3 ARG 10 1HD ARG 10 -12.898 5.600 -4.446
62 HE ARG 10 HE ARG 10 -12.874 4.647 -1.770
63 HH11 ARG 10 1HH1 ARG 10 -14.647 6.794 -4.000
64 HH12 ARG 10 2HH1 ARG 10 -16.054 6.830 -3.019
65 HH21 ARG 10 1HH2 ARG 10 -14.880 4.709 -0.484
66 HH22 ARG 10 2HH2 ARG 10 -16.207 5.596 -1.059
67 HA PRO 11 HA PRO 11 -10.816 -1.584 -4.962
68 HB2 PRO 11 2HB PRO 11 -8.328 -2.644 -3.937
69 HB3 PRO 11 1HB PRO 11 -8.888 -2.663 -5.615
70 HG2 PRO 11 2HG PRO 11 -6.773 -1.183 -4.811
71 HG3 PRO 11 1HG PRO 11 -7.906 -0.586 -6.044
72 HD2 PRO 11 2HD PRO 11 -7.836 0.022 -3.114
73 HD3 PRO 11 1HD PRO 11 -7.965 1.151 -4.480
74 H CYS 12 H CYS 12 -12.043 -2.804 -3.630
75 HA CYS 12 HA CYS 12 -11.153 -3.160 -0.871
76 HB2 CYS 12 2HB CYS 12 -13.041 -1.598 -0.998
77 HB3 CYS 12 1HB CYS 12 -13.983 -2.778 -1.882
78 HG CYS 12 HG CYS 12 -15.056 -3.815 0.149
79 H LYS 13 H LYS 13 -10.549 -5.218 -0.725
80 HA LYS 13 HA LYS 13 -12.403 -7.330 -1.448
81 HB2 LYS 13 2HB LYS 13 -9.439 -7.354 -2.094
82 HB3 LYS 13 1HB LYS 13 -10.457 -8.779 -2.100
83 HG2 LYS 13 2HG LYS 13 -11.818 -7.714 -3.889
84 HG3 LYS 13 1HG LYS 13 -10.625 -6.408 -3.943
85 HD2 LYS 13 2HD LYS 13 -8.868 -7.995 -4.521
86 HD3 LYS 13 1HD LYS 13 -10.014 -9.330 -4.373
87 HE2 LYS 13 2HE LYS 13 -11.327 -8.406 -6.227
88 HE3 LYS 13 1HE LYS 13 -10.141 -7.097 -6.381
89 HZ1 LYS 13 3HZ LYS 13 -8.457 -8.749 -6.985
90 HZ2 LYS 13 1HZ LYS 13 -9.795 -8.924 -7.977
91 HZ3 LYS 13 2HZ LYS 13 -9.559 -9.996 -6.727
92 H ASP 14 H ASP 14 -12.044 -9.227 -0.133
93 HA ASP 14 HA ASP 14 -11.034 -8.514 2.490
94 HB2 ASP 14 2HB ASP 14 -12.381 -11.069 1.586
95 HB3 ASP 14 1HB ASP 14 -11.990 -10.666 3.251
96 H LYS 15 H LYS 15 -9.575 -9.550 -0.115
97 HA LYS 15 HA LYS 15 -7.691 -11.241 1.396
98 HB2 LYS 15 2HB LYS 15 -8.317 -11.375 -1.566
99 HB3 LYS 15 1HB LYS 15 -7.000 -12.265 -0.809
100 HG2 LYS 15 2HG LYS 15 -8.688 -13.481 0.550
101 HG3 LYS 15 1HG LYS 15 -9.955 -12.617 -0.319
102 HD2 LYS 15 2HD LYS 15 -9.132 -13.571 -2.438
103 HD3 LYS 15 1HD LYS 15 -7.864 -14.407 -1.557
104 HE2 LYS 15 2HE LYS 15 -9.572 -15.653 -0.303
105 HE3 LYS 15 1HE LYS 15 -10.840 -14.867 -1.242
106 HZ1 LYS 15 3HZ LYS 15 -9.912 -15.900 -3.267
107 HZ2 LYS 15 1HZ LYS 15 -10.330 -17.052 -2.110
108 HZ3 LYS 15 2HZ LYS 15 -8.732 -16.661 -2.326
109 H VAL 16 H VAL 16 -8.008 -8.193 0.479
110 HA VAL 16 HA VAL 16 -5.340 -8.011 -0.666
111 HB VAL 16 HB VAL 16 -7.005 -6.744 -1.960
112 HG11 VAL 16 1HG1 VAL 16 -8.110 -4.760 -1.007
113 HG12 VAL 16 2HG1 VAL 16 -7.411 -5.226 0.559
114 HG13 VAL 16 3HG1 VAL 16 -8.592 -6.278 -0.210
115 HG21 VAL 16 3HG2 VAL 16 -5.163 -4.887 -0.471
116 HG22 VAL 16 1HG2 VAL 16 -5.873 -4.584 -2.057
117 HG23 VAL 16 2HG2 VAL 16 -4.679 -5.884 -1.832
118 H ASP 17 H ASP 17 -3.984 -8.082 0.799
119 HA ASP 17 HA ASP 17 -4.092 -6.716 3.287
120 HB2 ASP 17 2HB ASP 17 -2.798 -8.788 2.938
121 HB3 ASP 17 1HB ASP 17 -1.651 -7.900 1.949
122 H TRP 18 H TRP 18 -2.621 -5.053 4.020
123 HA TRP 18 HA TRP 18 -2.306 -2.917 1.993
124 HB2 TRP 18 2HB TRP 18 -3.131 -2.704 4.903
125 HB3 TRP 18 1HB TRP 18 -2.826 -1.349 3.825
126 HD1 TRP 18 HD TRP 18 -5.045 -4.481 3.272
127 HE1 TRP 18 1HE TRP 18 -7.378 -3.713 2.630
128 HE3 TRP 18 3HE TRP 18 -4.280 0.520 3.664
129 HZ2 TRP 18 2HZ TRP 18 -8.740 -1.252 2.355
130 HZ3 TRP 18 3HZ TRP 18 -6.148 2.050 3.203
131 HH2 TRP 18 HH TRP 18 -8.343 1.195 2.565
132 H VAL 19 H VAL 19 -0.567 -1.181 2.628
133 HA VAL 19 HA VAL 19 1.444 -2.427 4.233
134 HB VAL 19 HB VAL 19 3.137 -1.552 2.616
135 HG11 VAL 19 1HG1 VAL 19 1.214 -3.549 1.433
136 HG12 VAL 19 2HG1 VAL 19 2.520 -3.896 2.566
137 HG13 VAL 19 3HG1 VAL 19 2.892 -3.305 0.944
138 HG21 VAL 19 3HG2 VAL 19 0.752 -1.116 0.809
139 HG22 VAL 19 1HG2 VAL 19 2.446 -0.960 0.329
140 HG23 VAL 19 2HG2 VAL 19 1.762 0.142 1.519
141 H GLN 20 H GLN 20 2.453 -1.060 5.479
142 HA GLN 20 HA GLN 20 1.649 1.797 5.489
143 HB2 GLN 20 2HB GLN 20 1.212 0.495 7.560
144 HB3 GLN 20 1HB GLN 20 2.927 0.137 7.682
145 HG2 GLN 20 2HG GLN 20 3.390 2.557 7.928
146 HG3 GLN 20 1HG GLN 20 1.677 2.885 7.852
147 HE21 GLN 20 1HE2 GLN 20 3.587 3.443 9.982
148 HE22 GLN 20 2HE2 GLN 20 2.975 2.664 11.369
149 H CYS 21 H CYS 21 3.240 3.379 5.228
150 HA CYS 21 HA CYS 21 5.905 2.314 4.701
151 HB2 CYS 21 2HB CYS 21 6.492 4.574 3.752
152 HB3 CYS 21 1HB CYS 21 5.029 3.957 3.047
153 H ASP 22 H ASP 22 7.067 1.941 6.350
154 HA ASP 22 HA ASP 22 6.710 3.325 8.891
155 HB2 ASP 22 2HB ASP 22 8.359 0.974 8.011
156 HB3 ASP 22 1HB ASP 22 8.502 1.648 9.634
157 H GLY 23 H GLY 23 7.832 4.717 6.683
158 HA2 GLY 23 2HA GLY 23 10.603 5.183 7.594
159 HA3 GLY 23 1HA GLY 23 10.091 5.431 5.933
160 H GLY 24 H GLY 24 7.657 6.625 8.136
161 HA2 GLY 24 2HA GLY 24 8.461 8.903 9.186
162 HA3 GLY 24 1HA GLY 24 8.642 9.273 7.488
163 H CYS 25 H CYS 25 6.213 7.957 6.542
164 HA CYS 25 HA CYS 25 4.397 10.129 7.321
165 HB2 CYS 25 2HB CYS 25 3.754 7.921 5.351
166 HB3 CYS 25 1HB CYS 25 3.043 9.528 5.439
167 H ASP 26 H ASP 26 4.835 6.690 7.577
168 HA ASP 26 HA ASP 26 3.748 4.985 8.514
169 HB2 ASP 26 2HB ASP 26 3.104 7.186 10.550
170 HB3 ASP 26 1HB ASP 26 2.675 5.496 10.808
171 H GLU 27 H GLU 27 2.290 6.459 6.465
172 HA GLU 27 HA GLU 27 -0.530 6.169 7.183
173 HB2 GLU 27 2HB GLU 27 0.739 7.026 4.553
174 HB3 GLU 27 1HB GLU 27 -0.976 7.005 4.871
175 HG2 GLU 27 2HG GLU 27 -0.613 8.744 6.637
176 HG3 GLU 27 1HG GLU 27 1.103 8.764 6.186
177 H TRP 28 H TRP 28 -1.894 5.054 5.501
178 HA TRP 28 HA TRP 28 -0.725 2.385 4.985
179 HB2 TRP 28 2HB TRP 28 -3.556 3.108 5.762
180 HB3 TRP 28 1HB TRP 28 -3.071 1.499 5.232
181 HD1 TRP 28 HD TRP 28 -2.426 4.009 8.108
182 HE1 TRP 28 1HE TRP 28 -1.657 2.693 10.171
183 HE3 TRP 28 3HE TRP 28 -2.158 -0.662 6.047
184 HZ2 TRP 28 2HZ TRP 28 -1.063 0.025 10.842
185 HZ3 TRP 28 3HZ TRP 28 -1.485 -2.552 7.474
186 HH2 TRP 28 HH TRP 28 -0.956 -2.219 9.825
187 H PHE 29 H PHE 29 -0.669 1.617 3.031
188 HA PHE 29 HA PHE 29 -2.049 3.064 0.857
189 HB2 PHE 29 2HB PHE 29 0.616 1.594 0.705
190 HB3 PHE 29 1HB PHE 29 -0.112 2.598 -0.507
191 HD1 PHE 29 1HD PHE 29 1.133 2.806 3.000
192 HD2 PHE 29 2HD PHE 29 0.640 4.798 -0.730
193 HE1 PHE 29 1HE PHE 29 2.421 4.692 3.835
194 HE2 PHE 29 2HE PHE 29 1.939 6.707 0.128
195 HZ PHE 29 HZ PHE 29 2.826 6.626 2.452
196 H HIS 30 H HIS 30 -2.565 1.714 -0.972
197 HA HIS 30 HA HIS 30 -3.157 -1.130 -0.362
198 HB2 HIS 30 2HB HIS 30 -4.028 0.767 -2.422
199 HB3 HIS 30 1HB HIS 30 -4.294 -0.848 -2.874
200 HD2 HIS 30 2HD HIS 30 -6.168 -2.047 -0.697
201 HE1 HIS 30 1HE HIS 30 -8.081 1.730 -0.534
202 HE2 HIS 30 2HE HIS 30 -8.373 -0.764 -0.342
203 H GLN 31 H GLN 31 -2.057 -2.740 -1.396
204 HA GLN 31 HA GLN 31 0.359 -2.257 -2.590
205 HB2 GLN 31 2HB GLN 31 -1.349 -4.729 -2.839
206 HB3 GLN 31 1HB GLN 31 0.266 -4.627 -3.515
207 HG2 GLN 31 2HG GLN 31 1.164 -4.168 -1.289
208 HG3 GLN 31 1HG GLN 31 -0.439 -4.311 -0.602
209 HE21 GLN 31 1HE2 GLN 31 -1.355 -6.362 -0.412
210 HE22 GLN 31 2HE2 GLN 31 -0.416 -7.795 -0.587
211 H VAL 32 H VAL 32 -2.698 -2.824 -4.334
212 HA VAL 32 HA VAL 32 -1.400 -2.622 -6.881
213 HB VAL 32 HB VAL 32 -3.521 -3.868 -6.698
214 HG11 VAL 32 1HG1 VAL 32 -4.646 -1.165 -6.192
215 HG12 VAL 32 2HG1 VAL 32 -4.509 -2.450 -4.991
216 HG13 VAL 32 3HG1 VAL 32 -5.635 -2.627 -6.375
217 HG21 VAL 32 3HG2 VAL 32 -2.925 -2.828 -8.881
218 HG22 VAL 32 1HG2 VAL 32 -3.815 -1.407 -8.341
219 HG23 VAL 32 2HG2 VAL 32 -4.696 -2.905 -8.638
220 H CYS 33 H CYS 33 -3.067 -0.401 -4.918
221 HA CYS 33 HA CYS 33 -3.198 1.697 -6.915
222 HB2 CYS 33 2HB CYS 33 -4.256 3.121 -5.364
223 HB3 CYS 33 1HB CYS 33 -4.865 1.547 -4.957
224 H VAL 34 H VAL 34 -0.761 0.928 -4.477
225 HA VAL 34 HA VAL 34 0.644 3.283 -5.384
226 HB VAL 34 HB VAL 34 0.216 2.517 -2.815
227 HG11 VAL 34 1HG1 VAL 34 1.899 1.394 -1.792
228 HG12 VAL 34 2HG1 VAL 34 2.650 1.072 -3.337
229 HG13 VAL 34 3HG1 VAL 34 1.060 0.381 -2.976
230 HG21 VAL 34 3HG2 VAL 34 2.067 3.826 -2.191
231 HG22 VAL 34 1HG2 VAL 34 1.229 4.499 -3.580
232 HG23 VAL 34 2HG2 VAL 34 2.773 3.654 -3.837
233 H GLY 35 H GLY 35 0.295 0.422 -6.519
234 HA2 GLY 35 2HA GLY 35 1.526 -1.200 -7.668
235 HA3 GLY 35 1HA GLY 35 2.676 0.094 -7.891
236 H VAL 36 H VAL 36 1.744 -2.274 -5.262
237 HA VAL 36 HA VAL 36 4.561 -2.864 -4.720
238 HB VAL 36 HB VAL 36 2.052 -2.994 -3.011
239 HG11 VAL 36 1HG1 VAL 36 3.476 -3.720 -1.165
240 HG12 VAL 36 2HG1 VAL 36 4.840 -3.911 -2.297
241 HG13 VAL 36 3HG1 VAL 36 3.417 -4.917 -2.450
242 HG21 VAL 36 3HG2 VAL 36 3.238 -1.410 -1.583
243 HG22 VAL 36 1HG2 VAL 36 2.916 -0.815 -3.206
244 HG23 VAL 36 2HG2 VAL 36 4.535 -1.365 -2.781
245 H SER 37 H SER 37 4.964 -5.351 -4.688
246 HA SER 37 HA SER 37 2.777 -6.809 -5.842
247 HB2 SER 37 2HB SER 37 4.646 -8.451 -6.210
248 HB3 SER 37 1HB SER 37 4.889 -6.911 -7.044
249 HG SER 37 HG SER 37 6.756 -7.601 -5.989
250 HA PRO 38 HA PRO 38 1.759 -8.916 -2.068
251 HB2 PRO 38 2HB PRO 38 1.950 -11.582 -2.862
252 HB3 PRO 38 1HB PRO 38 0.536 -10.528 -3.099
253 HG2 PRO 38 2HG PRO 38 2.760 -11.191 -4.966
254 HG3 PRO 38 1HG PRO 38 1.021 -11.116 -5.304
255 HD2 PRO 38 2HD PRO 38 2.619 -9.108 -6.035
256 HD3 PRO 38 1HD PRO 38 1.040 -8.754 -5.297
257 H GLU 39 H GLU 39 4.735 -10.113 -3.757
258 HA GLU 39 HA GLU 39 5.737 -11.485 -1.537
259 HB2 GLU 39 2HB GLU 39 6.944 -10.400 -4.063
260 HB3 GLU 39 1HB GLU 39 7.837 -11.298 -2.843
261 HG2 GLU 39 2HG GLU 39 6.383 -13.212 -3.237
262 HG3 GLU 39 1HG GLU 39 5.538 -12.292 -4.482
263 H MET 40 H MET 40 5.715 -8.197 -2.625
264 HA MET 40 HA MET 40 8.084 -7.296 -1.326
265 HB2 MET 40 2HB MET 40 6.897 -6.196 -3.316
266 HB3 MET 40 1HB MET 40 5.634 -5.813 -2.213
267 HG2 MET 40 2HG MET 40 7.075 -4.266 -0.992
268 HG3 MET 40 1HG MET 40 8.433 -4.741 -2.024
269 HE1 MET 40 3HE MET 40 8.725 -2.027 -2.769
270 HE2 MET 40 1HE MET 40 7.307 -1.715 -1.719
271 HE3 MET 40 2HE MET 40 7.275 -1.182 -3.387
272 H ALA 41 H ALA 41 4.605 -7.147 -0.598
273 HA ALA 41 HA ALA 41 4.723 -5.722 1.779
274 HB1 ALA 41 1HB ALA 41 2.715 -6.133 0.472
275 HB2 ALA 41 2HB ALA 41 2.485 -6.587 2.161
276 HB3 ALA 41 3HB ALA 41 2.748 -7.834 0.928
277 H GLU 42 H GLU 42 4.821 -9.153 1.280
278 HA GLU 42 HA GLU 42 5.030 -9.622 4.151
279 HB2 GLU 42 2HB GLU 42 5.026 -11.657 1.924
280 HB3 GLU 42 1HB GLU 42 5.084 -12.058 3.633
281 HG2 GLU 42 2HG GLU 42 2.929 -10.902 3.938
282 HG3 GLU 42 1HG GLU 42 2.879 -10.606 2.207
283 H ASN 43 H ASN 43 7.350 -9.131 1.723
284 HA ASN 43 HA ASN 43 9.317 -10.515 3.396
285 HB2 ASN 43 2HB ASN 43 9.197 -10.230 0.436
286 HB3 ASN 43 1HB ASN 43 10.670 -10.701 1.257
287 HD21 ASN 43 1HD2 ASN 43 8.953 -12.159 -0.650
288 HD22 ASN 43 2HD2 ASN 43 8.503 -13.621 0.161
289 H GLU 44 H GLU 44 8.719 -7.459 1.696
290 HA GLU 44 HA GLU 44 11.314 -6.671 2.721
291 HB2 GLU 44 2HB GLU 44 10.327 -5.958 -0.059
292 HB3 GLU 44 1HB GLU 44 11.782 -5.342 0.722
293 HG2 GLU 44 2HG GLU 44 12.647 -7.611 0.902
294 HG3 GLU 44 1HG GLU 44 11.237 -8.226 0.053
295 H ASP 45 H ASP 45 11.699 -4.441 2.893
296 HA ASP 45 HA ASP 45 9.705 -3.210 4.477
297 HB2 ASP 45 2HB ASP 45 12.002 -3.131 5.104
298 HB3 ASP 45 1HB ASP 45 12.484 -2.446 3.575
299 H TYR 46 H TYR 46 8.049 -2.199 3.640
300 HA TYR 46 HA TYR 46 8.163 -0.881 1.126
301 HB2 TYR 46 2HB TYR 46 6.056 -1.964 1.555
302 HB3 TYR 46 1HB TYR 46 5.849 -1.102 3.085
303 HD1 TYR 46 1HD TYR 46 5.756 -0.751 -0.624
304 HD2 TYR 46 2HD TYR 46 4.993 1.116 3.114
305 HE1 TYR 46 1HE TYR 46 4.530 1.115 -1.763
306 HE2 TYR 46 2HE TYR 46 3.802 2.922 1.947
307 HH TYR 46 HH TYR 46 2.870 2.749 -1.196
308 H ILE 47 H ILE 47 8.991 0.788 0.867
309 HA ILE 47 HA ILE 47 8.622 3.108 2.668
310 HB ILE 47 HB ILE 47 10.823 2.665 0.608
311 HG12 ILE 47 2HG1 ILE 47 11.111 1.245 2.592
312 HG13 ILE 47 1HG1 ILE 47 12.337 2.512 2.529
313 HG21 ILE 47 1HG2 ILE 47 11.850 4.683 1.482
314 HG22 ILE 47 2HG2 ILE 47 10.507 4.863 2.614
315 HG23 ILE 47 3HG2 ILE 47 10.218 5.025 0.870
316 HD11 ILE 47 3HD1 ILE 47 11.091 3.773 4.213
317 HD12 ILE 47 1HD1 ILE 47 11.516 2.159 4.793
318 HD13 ILE 47 2HD1 ILE 47 9.872 2.500 4.262
319 H CYS 48 H CYS 48 7.729 5.147 1.656
320 HA CYS 48 HA CYS 48 6.322 4.487 -0.829
321 HB2 CYS 48 2HB CYS 48 4.786 6.180 -0.265
322 HB3 CYS 48 1HB CYS 48 5.071 5.361 1.271
323 H ILE 49 H ILE 49 5.938 6.526 -2.126
324 HA ILE 49 HA ILE 49 8.250 7.479 -3.291
325 HB ILE 49 HB ILE 49 6.133 7.554 -4.435
326 HG12 ILE 49 2HG1 ILE 49 7.237 10.301 -4.062
327 HG13 ILE 49 1HG1 ILE 49 7.965 9.056 -5.083
328 HG21 ILE 49 1HG2 ILE 49 5.345 9.737 -2.506
329 HG22 ILE 49 2HG2 ILE 49 4.624 8.129 -2.618
330 HG23 ILE 49 3HG2 ILE 49 4.443 9.275 -3.950
331 HD11 ILE 49 3HD1 ILE 49 5.982 9.012 -6.445
332 HD12 ILE 49 1HD1 ILE 49 6.662 10.643 -6.427
333 HD13 ILE 49 2HD1 ILE 49 5.231 10.266 -5.444
334 H ASN 50 H ASN 50 6.491 8.905 -0.640
335 HA ASN 50 HA ASN 50 8.093 11.324 -0.681
336 HB2 ASN 50 2HB ASN 50 5.986 10.415 1.293
337 HB3 ASN 50 1HB ASN 50 6.881 11.925 1.427
338 HD21 ASN 50 1HD2 ASN 50 6.462 13.593 -0.047
339 HD22 ASN 50 2HD2 ASN 50 5.051 13.572 -1.055
340 H CYS 51 H CYS 51 8.043 8.331 1.038
341 HA CYS 51 HA CYS 51 10.023 9.179 2.914
342 HB2 CYS 51 2HB CYS 51 8.878 6.443 2.301
343 HB3 CYS 51 1HB CYS 51 10.210 6.706 3.440
344 H ALA 52 H ALA 52 9.989 7.821 -0.208
345 HA ALA 52 HA ALA 52 12.842 7.119 -0.103
346 HB1 ALA 52 3HB ALA 52 11.331 5.381 -0.952
347 HB2 ALA 52 1HB ALA 52 12.489 5.885 -2.186
348 HB3 ALA 52 2HB ALA 52 10.829 6.463 -2.254
Start of MODEL 6
1 HA SER 1 HA SER 1 -12.566 4.889 3.427
2 HB2 SER 1 2HB SER 1 -14.069 6.842 3.725
3 HB3 SER 1 1HB SER 1 -12.996 7.810 2.698
4 HG SER 1 HG SER 1 -14.337 5.451 1.865
5 H VAL 2 H VAL 2 -10.710 7.743 2.315
6 HA VAL 2 HA VAL 2 -9.744 6.160 0.056
7 HB VAL 2 HB VAL 2 -9.374 9.117 0.618
8 HG11 VAL 2 1HG1 VAL 2 -8.880 7.567 -1.924
9 HG12 VAL 2 2HG1 VAL 2 -7.644 8.217 -0.850
10 HG13 VAL 2 3HG1 VAL 2 -8.691 9.310 -1.738
11 HG21 VAL 2 3HG2 VAL 2 -11.755 8.633 0.290
12 HG22 VAL 2 1HG2 VAL 2 -11.386 7.794 -1.211
13 HG23 VAL 2 2HG2 VAL 2 -11.126 9.536 -1.079
14 H CYS 3 H CYS 3 -7.613 5.571 0.002
15 HA CYS 3 HA CYS 3 -6.183 5.961 2.500
16 HB2 CYS 3 2HB CYS 3 -5.250 3.904 2.151
17 HB3 CYS 3 1HB CYS 3 -6.539 3.708 0.977
18 H ALA 4 H ALA 4 -3.614 5.831 1.874
19 HA ALA 4 HA ALA 4 -3.116 8.375 0.508
20 HB1 ALA 4 1HB ALA 4 -1.277 6.732 2.325
21 HB2 ALA 4 2HB ALA 4 -2.148 8.174 2.796
22 HB3 ALA 4 3HB ALA 4 -0.874 8.275 1.590
23 H ALA 5 H ALA 5 -2.600 8.132 -1.655
24 HA ALA 5 HA ALA 5 -0.279 6.688 -2.436
25 HB1 ALA 5 1HB ALA 5 -1.325 5.089 -4.017
26 HB2 ALA 5 2HB ALA 5 -2.914 5.590 -3.488
27 HB3 ALA 5 3HB ALA 5 -1.849 4.760 -2.368
28 H GLN 6 H GLN 6 0.509 7.493 -4.449
29 HA GLN 6 HA GLN 6 -0.175 9.723 -5.694
30 HB2 GLN 6 2HB GLN 6 0.593 7.151 -7.082
31 HB3 GLN 6 1HB GLN 6 0.835 8.771 -7.722
32 HG2 GLN 6 2HG GLN 6 2.492 9.205 -6.070
33 HG3 GLN 6 1HG GLN 6 2.117 7.696 -5.221
34 HE21 GLN 6 1HE2 GLN 6 2.778 5.724 -6.176
35 HE22 GLN 6 2HE2 GLN 6 3.978 5.687 -7.394
36 H ASN 7 H ASN 7 -1.410 6.686 -6.398
37 HA ASN 7 HA ASN 7 -3.954 7.813 -7.401
38 HB2 ASN 7 2HB ASN 7 -2.649 7.328 -9.457
39 HB3 ASN 7 1HB ASN 7 -2.542 5.633 -8.961
40 HD21 ASN 7 1HD2 ASN 7 -3.568 5.062 -10.937
41 HD22 ASN 7 2HD2 ASN 7 -5.259 5.248 -11.126
42 H CYS 8 H CYS 8 -5.359 7.078 -5.950
43 HA CYS 8 HA CYS 8 -4.940 4.361 -5.161
44 HB2 CYS 8 2HB CYS 8 -5.114 5.861 -3.247
45 HB3 CYS 8 1HB CYS 8 -6.695 6.404 -3.808
46 H GLN 9 H GLN 9 -5.952 2.924 -6.286
47 HA GLN 9 HA GLN 9 -8.201 3.275 -7.948
48 HB2 GLN 9 2HB GLN 9 -7.013 0.761 -6.782
49 HB3 GLN 9 1HB GLN 9 -8.064 0.794 -8.177
50 HG2 GLN 9 2HG GLN 9 -6.341 2.089 -9.412
51 HG3 GLN 9 1HG GLN 9 -5.312 2.016 -7.997
52 HE21 GLN 9 1HE2 GLN 9 -3.682 0.913 -9.066
53 HE22 GLN 9 2HE2 GLN 9 -3.853 -0.715 -9.555
54 H ARG 10 H ARG 10 -8.017 3.081 -4.631
55 HA ARG 10 HA ARG 10 -9.370 2.505 -2.863
56 HB2 ARG 10 2HB ARG 10 -11.294 3.557 -4.903
57 HB3 ARG 10 1HB ARG 10 -11.785 3.169 -3.244
58 HG2 ARG 10 2HG ARG 10 -10.284 4.797 -2.368
59 HG3 ARG 10 1HG ARG 10 -9.577 5.089 -3.958
60 HD2 ARG 10 2HD ARG 10 -12.452 5.601 -3.248
61 HD3 ARG 10 1HD ARG 10 -11.198 6.843 -3.192
62 HE ARG 10 HE ARG 10 -11.120 5.695 -5.721
63 HH11 ARG 10 1HH1 ARG 10 -13.488 7.594 -3.844
64 HH12 ARG 10 2HH1 ARG 10 -14.048 8.410 -5.218
65 HH21 ARG 10 1HH2 ARG 10 -11.954 6.882 -7.552
66 HH22 ARG 10 2HH2 ARG 10 -13.180 8.050 -7.291
67 HA PRO 11 HA PRO 11 -10.987 -1.617 -4.653
68 HB2 PRO 11 2HB PRO 11 -8.525 -2.877 -3.732
69 HB3 PRO 11 1HB PRO 11 -9.244 -2.945 -5.362
70 HG2 PRO 11 2HG PRO 11 -6.946 -1.651 -4.870
71 HG3 PRO 11 1HG PRO 11 -8.133 -1.022 -6.034
72 HD2 PRO 11 2HD PRO 11 -7.693 -0.262 -3.170
73 HD3 PRO 11 1HD PRO 11 -7.857 0.810 -4.576
74 H CYS 12 H CYS 12 -12.176 -2.815 -3.289
75 HA CYS 12 HA CYS 12 -11.257 -3.155 -0.549
76 HB2 CYS 12 2HB CYS 12 -12.945 -1.381 -0.608
77 HB3 CYS 12 1HB CYS 12 -14.078 -2.439 -1.429
78 HG CYS 12 HG CYS 12 -15.146 -2.486 0.978
79 H LYS 13 H LYS 13 -10.971 -5.252 -0.253
80 HA LYS 13 HA LYS 13 -12.967 -7.194 -1.043
81 HB2 LYS 13 2HB LYS 13 -10.010 -7.450 -1.717
82 HB3 LYS 13 1HB LYS 13 -11.194 -8.727 -1.881
83 HG2 LYS 13 2HG LYS 13 -12.314 -7.455 -3.626
84 HG3 LYS 13 1HG LYS 13 -11.160 -6.144 -3.430
85 HD2 LYS 13 2HD LYS 13 -9.310 -7.604 -4.042
86 HD3 LYS 13 1HD LYS 13 -10.392 -8.975 -4.216
87 HE2 LYS 13 2HE LYS 13 -10.491 -6.445 -5.856
88 HE3 LYS 13 1HE LYS 13 -9.740 -7.953 -6.382
89 HZ1 LYS 13 3HZ LYS 13 -11.928 -7.724 -7.306
90 HZ2 LYS 13 1HZ LYS 13 -12.662 -7.560 -5.812
91 HZ3 LYS 13 2HZ LYS 13 -11.940 -9.008 -6.265
92 H ASP 14 H ASP 14 -12.447 -9.240 0.201
93 HA ASP 14 HA ASP 14 -11.484 -8.740 2.832
94 HB2 ASP 14 2HB ASP 14 -11.966 -11.357 1.379
95 HB3 ASP 14 1HB ASP 14 -11.526 -11.253 3.071
96 H LYS 15 H LYS 15 -10.253 -10.941 0.272
97 HA LYS 15 HA LYS 15 -7.853 -11.588 1.342
98 HB2 LYS 15 2HB LYS 15 -8.843 -11.599 -1.490
99 HB3 LYS 15 1HB LYS 15 -7.518 -12.577 -0.869
100 HG2 LYS 15 2HG LYS 15 -9.117 -13.773 0.612
101 HG3 LYS 15 1HG LYS 15 -10.418 -12.779 -0.018
102 HD2 LYS 15 2HD LYS 15 -9.977 -13.683 -2.300
103 HD3 LYS 15 1HD LYS 15 -8.695 -14.663 -1.609
104 HE2 LYS 15 2HE LYS 15 -10.724 -15.981 -1.935
105 HE3 LYS 15 1HE LYS 15 -10.302 -15.851 -0.235
106 HZ1 LYS 15 3HZ LYS 15 -12.696 -15.582 -0.748
107 HZ2 LYS 15 1HZ LYS 15 -12.369 -14.170 -1.579
108 HZ3 LYS 15 2HZ LYS 15 -12.091 -14.271 0.106
109 H VAL 16 H VAL 16 -7.984 -8.492 1.088
110 HA VAL 16 HA VAL 16 -5.541 -8.340 -0.496
111 HB VAL 16 HB VAL 16 -7.191 -7.175 -1.859
112 HG11 VAL 16 1HG1 VAL 16 -8.781 -6.573 -0.114
113 HG12 VAL 16 2HG1 VAL 16 -8.295 -5.142 -1.050
114 HG13 VAL 16 3HG1 VAL 16 -7.573 -5.464 0.546
115 HG21 VAL 16 3HG2 VAL 16 -6.025 -5.031 -2.128
116 HG22 VAL 16 1HG2 VAL 16 -4.880 -6.333 -1.804
117 HG23 VAL 16 2HG2 VAL 16 -5.311 -5.221 -0.512
118 H ASP 17 H ASP 17 -4.086 -8.214 0.749
119 HA ASP 17 HA ASP 17 -3.979 -6.847 3.252
120 HB2 ASP 17 2HB ASP 17 -2.561 -8.789 2.812
121 HB3 ASP 17 1HB ASP 17 -1.700 -7.895 1.568
122 H TRP 18 H TRP 18 -2.851 -5.028 3.887
123 HA TRP 18 HA TRP 18 -2.499 -2.945 1.821
124 HB2 TRP 18 2HB TRP 18 -3.384 -2.713 4.708
125 HB3 TRP 18 1HB TRP 18 -3.068 -1.353 3.629
126 HD1 TRP 18 HD TRP 18 -5.277 -4.532 3.078
127 HE1 TRP 18 1HE TRP 18 -7.612 -3.790 2.444
128 HE3 TRP 18 3HE TRP 18 -4.583 0.497 3.449
129 HZ2 TRP 18 2HZ TRP 18 -9.042 -1.332 2.164
130 HZ3 TRP 18 3HZ TRP 18 -6.477 2.001 2.999
131 HH2 TRP 18 HH TRP 18 -8.676 1.101 2.379
132 H VAL 19 H VAL 19 -0.728 -1.196 2.470
133 HA VAL 19 HA VAL 19 1.218 -2.433 4.190
134 HB VAL 19 HB VAL 19 3.000 -1.489 2.680
135 HG11 VAL 19 1HG1 VAL 19 2.503 -3.881 2.623
136 HG12 VAL 19 2HG1 VAL 19 2.896 -3.291 1.008
137 HG13 VAL 19 3HG1 VAL 19 1.224 -3.595 1.446
138 HG21 VAL 19 3HG2 VAL 19 1.718 0.143 1.407
139 HG22 VAL 19 1HG2 VAL 19 0.697 -1.138 0.747
140 HG23 VAL 19 2HG2 VAL 19 2.404 -1.042 0.314
141 H GLN 20 H GLN 20 2.198 -1.115 5.483
142 HA GLN 20 HA GLN 20 1.388 1.716 5.531
143 HB2 GLN 20 2HB GLN 20 0.834 0.365 7.562
144 HB3 GLN 20 1HB GLN 20 2.526 -0.041 7.728
145 HG2 GLN 20 2HG GLN 20 3.059 2.299 8.118
146 HG3 GLN 20 1HG GLN 20 1.375 2.742 7.928
147 HE21 GLN 20 1HE2 GLN 20 3.141 3.118 10.201
148 HE22 GLN 20 2HE2 GLN 20 2.418 2.329 11.520
149 H CYS 21 H CYS 21 2.960 3.300 5.430
150 HA CYS 21 HA CYS 21 5.661 2.315 4.819
151 HB2 CYS 21 2HB CYS 21 6.141 4.597 3.889
152 HB3 CYS 21 1HB CYS 21 4.641 3.954 3.246
153 H ASP 22 H ASP 22 6.946 1.975 6.390
154 HA ASP 22 HA ASP 22 6.696 3.430 8.906
155 HB2 ASP 22 2HB ASP 22 8.335 1.013 8.122
156 HB3 ASP 22 1HB ASP 22 8.452 1.781 9.704
157 H GLY 23 H GLY 23 7.697 4.684 6.532
158 HA2 GLY 23 2HA GLY 23 10.524 5.119 7.162
159 HA3 GLY 23 1HA GLY 23 9.710 5.650 5.688
160 H GLY 24 H GLY 24 7.489 6.426 7.936
161 HA2 GLY 24 2HA GLY 24 8.263 8.421 9.544
162 HA3 GLY 24 1HA GLY 24 8.500 9.135 7.973
163 H CYS 25 H CYS 25 5.948 7.626 7.016
164 HA CYS 25 HA CYS 25 4.202 9.836 7.899
165 HB2 CYS 25 2HB CYS 25 3.442 7.793 5.810
166 HB3 CYS 25 1HB CYS 25 2.786 9.401 6.032
167 H ASP 26 H ASP 26 4.453 6.376 8.166
168 HA ASP 26 HA ASP 26 3.203 4.687 9.048
169 HB2 ASP 26 2HB ASP 26 2.207 6.902 10.893
170 HB3 ASP 26 1HB ASP 26 1.857 5.209 11.130
171 H GLU 27 H GLU 27 2.023 6.349 6.858
172 HA GLU 27 HA GLU 27 -0.828 5.997 7.269
173 HB2 GLU 27 2HB GLU 27 0.701 7.158 4.920
174 HB3 GLU 27 1HB GLU 27 -1.045 7.075 5.013
175 HG2 GLU 27 2HG GLU 27 -0.957 8.451 7.102
176 HG3 GLU 27 1HG GLU 27 0.781 8.581 6.843
177 H TRP 28 H TRP 28 -2.097 5.017 5.611
178 HA TRP 28 HA TRP 28 -0.944 2.389 4.948
179 HB2 TRP 28 2HB TRP 28 -3.771 3.141 5.640
180 HB3 TRP 28 1HB TRP 28 -3.321 1.563 4.990
181 HD1 TRP 28 HD TRP 28 -2.800 3.739 8.145
182 HE1 TRP 28 1HE TRP 28 -2.106 2.187 10.064
183 HE3 TRP 28 3HE TRP 28 -2.362 -0.607 5.530
184 HZ2 TRP 28 2HZ TRP 28 -1.478 -0.564 10.434
185 HZ3 TRP 28 3HZ TRP 28 -1.723 -2.651 6.708
186 HH2 TRP 28 HH TRP 28 -1.284 -2.622 9.146
187 H PHE 29 H PHE 29 -0.774 1.734 3.020
188 HA PHE 29 HA PHE 29 -2.115 3.168 0.816
189 HB2 PHE 29 2HB PHE 29 0.585 1.735 0.726
190 HB3 PHE 29 1HB PHE 29 -0.155 2.723 -0.508
191 HD1 PHE 29 1HD PHE 29 0.956 3.008 3.028
192 HD2 PHE 29 2HD PHE 29 0.653 4.889 -0.755
193 HE1 PHE 29 1HE PHE 29 2.184 4.923 3.889
194 HE2 PHE 29 2HE PHE 29 1.876 6.835 0.119
195 HZ PHE 29 HZ PHE 29 2.652 6.825 2.492
196 H HIS 30 H HIS 30 -2.599 1.793 -0.959
197 HA HIS 30 HA HIS 30 -3.089 -1.056 -0.266
198 HB2 HIS 30 2HB HIS 30 -3.977 0.656 -2.555
199 HB3 HIS 30 1HB HIS 30 -4.179 -1.027 -2.743
200 HD2 HIS 30 2HD HIS 30 -6.215 -2.035 -0.829
201 HE1 HIS 30 1HE HIS 30 -8.054 1.772 -0.729
202 HE2 HIS 30 2HE HIS 30 -8.396 -0.724 -0.647
203 H GLN 31 H GLN 31 -1.927 -2.692 -1.201
204 HA GLN 31 HA GLN 31 0.495 -2.133 -2.310
205 HB2 GLN 31 2HB GLN 31 -1.143 -4.653 -2.457
206 HB3 GLN 31 1HB GLN 31 0.443 -4.541 -3.218
207 HG2 GLN 31 2HG GLN 31 1.449 -4.031 -1.078
208 HG3 GLN 31 1HG GLN 31 -0.138 -4.066 -0.312
209 HE21 GLN 31 1HE2 GLN 31 -1.036 -5.986 0.120
210 HE22 GLN 31 2HE2 GLN 31 -0.248 -7.497 -0.026
211 H VAL 32 H VAL 32 -2.396 -3.057 -4.163
212 HA VAL 32 HA VAL 32 -1.120 -2.884 -6.676
213 HB VAL 32 HB VAL 32 -3.198 -4.168 -6.389
214 HG11 VAL 32 1HG1 VAL 32 -4.399 -1.492 -5.963
215 HG12 VAL 32 2HG1 VAL 32 -4.179 -2.713 -4.718
216 HG13 VAL 32 3HG1 VAL 32 -5.330 -3.001 -6.077
217 HG21 VAL 32 3HG2 VAL 32 -3.577 -1.804 -8.138
218 HG22 VAL 32 1HG2 VAL 32 -4.452 -3.320 -8.331
219 HG23 VAL 32 2HG2 VAL 32 -2.712 -3.267 -8.638
220 H CYS 33 H CYS 33 -2.796 -0.643 -4.763
221 HA CYS 33 HA CYS 33 -3.043 1.381 -6.835
222 HB2 CYS 33 2HB CYS 33 -4.350 2.706 -5.437
223 HB3 CYS 33 1HB CYS 33 -4.626 1.152 -4.770
224 H VAL 34 H VAL 34 -0.552 0.726 -4.422
225 HA VAL 34 HA VAL 34 0.732 3.110 -5.397
226 HB VAL 34 HB VAL 34 0.272 2.519 -2.835
227 HG11 VAL 34 1HG1 VAL 34 1.170 0.388 -2.785
228 HG12 VAL 34 2HG1 VAL 34 1.906 1.518 -1.659
229 HG13 VAL 34 3HG1 VAL 34 2.764 1.084 -3.140
230 HG21 VAL 34 3HG2 VAL 34 1.283 4.435 -3.737
231 HG22 VAL 34 1HG2 VAL 34 2.862 3.632 -3.787
232 HG23 VAL 34 2HG2 VAL 34 2.011 3.916 -2.212
233 H GLY 35 H GLY 35 0.487 0.302 -6.491
234 HA2 GLY 35 2HA GLY 35 1.767 -1.178 -7.785
235 HA3 GLY 35 1HA GLY 35 2.981 0.074 -7.797
236 H VAL 36 H VAL 36 1.971 -1.756 -4.897
237 HA VAL 36 HA VAL 36 4.650 -2.874 -4.640
238 HB VAL 36 HB VAL 36 2.231 -2.875 -2.813
239 HG11 VAL 36 1HG1 VAL 36 3.750 -3.677 -1.050
240 HG12 VAL 36 2HG1 VAL 36 5.020 -3.912 -2.286
241 HG13 VAL 36 3HG1 VAL 36 3.522 -4.807 -2.374
242 HG21 VAL 36 3HG2 VAL 36 4.766 -1.267 -2.762
243 HG22 VAL 36 1HG2 VAL 36 3.554 -1.313 -1.471
244 HG23 VAL 36 2HG2 VAL 36 3.091 -0.727 -3.047
245 H SER 37 H SER 37 4.912 -5.275 -4.681
246 HA SER 37 HA SER 37 2.612 -6.684 -5.668
247 HB2 SER 37 2HB SER 37 4.391 -8.375 -6.253
248 HB3 SER 37 1HB SER 37 4.662 -6.811 -7.016
249 HG SER 37 HG SER 37 6.541 -6.938 -6.145
250 HA PRO 38 HA PRO 38 1.924 -8.557 -1.698
251 HB2 PRO 38 2HB PRO 38 1.703 -11.245 -2.333
252 HB3 PRO 38 1HB PRO 38 0.414 -10.055 -2.537
253 HG2 PRO 38 2HG PRO 38 2.399 -11.030 -4.542
254 HG3 PRO 38 1HG PRO 38 0.644 -10.836 -4.743
255 HD2 PRO 38 2HD PRO 38 2.321 -9.042 -5.725
256 HD3 PRO 38 1HD PRO 38 0.856 -8.481 -4.894
257 H GLU 39 H GLU 39 4.516 -9.777 -3.679
258 HA GLU 39 HA GLU 39 5.728 -11.426 -1.668
259 HB2 GLU 39 2HB GLU 39 5.864 -11.881 -4.114
260 HB3 GLU 39 1HB GLU 39 6.767 -10.413 -4.325
261 HG2 GLU 39 2HG GLU 39 8.602 -11.284 -3.064
262 HG3 GLU 39 1HG GLU 39 7.702 -12.759 -2.681
263 H MET 40 H MET 40 5.803 -8.151 -2.656
264 HA MET 40 HA MET 40 8.352 -7.333 -1.619
265 HB2 MET 40 2HB MET 40 7.073 -6.122 -3.452
266 HB3 MET 40 1HB MET 40 5.866 -5.823 -2.272
267 HG2 MET 40 2HG MET 40 7.314 -4.277 -1.047
268 HG3 MET 40 1HG MET 40 8.636 -4.688 -2.143
269 HE1 MET 40 3HE MET 40 7.301 -1.080 -3.335
270 HE2 MET 40 1HE MET 40 8.760 -1.845 -2.672
271 HE3 MET 40 2HE MET 40 7.308 -1.662 -1.671
272 H ALA 41 H ALA 41 4.973 -7.116 -0.564
273 HA ALA 41 HA ALA 41 5.276 -5.567 1.717
274 HB1 ALA 41 1HB ALA 41 3.112 -6.051 0.639
275 HB2 ALA 41 2HB ALA 41 3.070 -6.437 2.340
276 HB3 ALA 41 3HB ALA 41 3.229 -7.726 1.161
277 H GLU 42 H GLU 42 5.274 -9.041 1.442
278 HA GLU 42 HA GLU 42 5.774 -9.436 4.249
279 HB2 GLU 42 2HB GLU 42 5.933 -11.512 2.051
280 HB3 GLU 42 1HB GLU 42 5.951 -11.848 3.772
281 HG2 GLU 42 2HG GLU 42 3.688 -10.864 3.914
282 HG3 GLU 42 1HG GLU 42 3.664 -10.739 2.154
283 H ASN 43 H ASN 43 7.943 -8.686 1.716
284 HA ASN 43 HA ASN 43 10.080 -10.016 3.172
285 HB2 ASN 43 2HB ASN 43 9.720 -9.719 0.232
286 HB3 ASN 43 1HB ASN 43 11.330 -9.928 0.928
287 HD21 ASN 43 1HD2 ASN 43 9.584 -11.666 -0.784
288 HD22 ASN 43 2HD2 ASN 43 9.523 -13.161 0.093
289 H GLU 44 H GLU 44 9.361 -6.888 1.551
290 HA GLU 44 HA GLU 44 11.904 -5.963 2.679
291 HB2 GLU 44 2HB GLU 44 10.861 -5.159 -0.059
292 HB3 GLU 44 1HB GLU 44 12.196 -4.411 0.777
293 HG2 GLU 44 2HG GLU 44 13.390 -6.592 0.749
294 HG3 GLU 44 1HG GLU 44 12.034 -7.242 -0.184
295 H ASP 45 H ASP 45 12.061 -3.540 2.830
296 HA ASP 45 HA ASP 45 9.920 -2.638 4.477
297 HB2 ASP 45 2HB ASP 45 12.192 -0.966 3.375
298 HB3 ASP 45 1HB ASP 45 11.204 -0.635 4.775
299 H TYR 46 H TYR 46 8.070 -1.917 3.513
300 HA TYR 46 HA TYR 46 8.099 -0.610 1.030
301 HB2 TYR 46 2HB TYR 46 6.050 -1.710 1.602
302 HB3 TYR 46 1HB TYR 46 5.894 -0.789 3.100
303 HD1 TYR 46 1HD TYR 46 5.932 -0.417 -0.596
304 HD2 TYR 46 2HD TYR 46 4.765 1.274 3.132
305 HE1 TYR 46 1HE TYR 46 4.689 1.423 -1.772
306 HE2 TYR 46 2HE TYR 46 3.564 3.030 1.955
307 HH TYR 46 HH TYR 46 2.900 2.890 -1.267
308 H ILE 47 H ILE 47 8.943 1.119 0.726
309 HA ILE 47 HA ILE 47 8.613 3.437 2.556
310 HB ILE 47 HB ILE 47 10.607 3.189 0.260
311 HG12 ILE 47 2HG1 ILE 47 11.203 1.616 2.028
312 HG13 ILE 47 1HG1 ILE 47 12.353 2.953 2.011
313 HG21 ILE 47 1HG2 ILE 47 10.022 5.483 0.734
314 HG22 ILE 47 2HG2 ILE 47 11.677 5.181 1.271
315 HG23 ILE 47 3HG2 ILE 47 10.352 5.223 2.443
316 HD11 ILE 47 3HD1 ILE 47 11.186 3.934 3.946
317 HD12 ILE 47 1HD1 ILE 47 11.773 2.296 4.289
318 HD13 ILE 47 2HD1 ILE 47 10.072 2.556 3.937
319 H CYS 48 H CYS 48 7.524 5.422 1.712
320 HA CYS 48 HA CYS 48 6.032 4.756 -0.688
321 HB2 CYS 48 2HB CYS 48 4.369 6.230 0.074
322 HB3 CYS 48 1HB CYS 48 4.883 5.408 1.537
323 H ILE 49 H ILE 49 5.423 6.859 -1.817
324 HA ILE 49 HA ILE 49 7.642 7.988 -3.049
325 HB ILE 49 HB ILE 49 5.475 7.888 -4.140
326 HG12 ILE 49 2HG1 ILE 49 6.300 10.739 -3.747
327 HG13 ILE 49 1HG1 ILE 49 7.156 9.597 -4.785
328 HG21 ILE 49 1HG2 ILE 49 4.009 8.268 -2.242
329 HG22 ILE 49 2HG2 ILE 49 3.646 9.365 -3.566
330 HG23 ILE 49 3HG2 ILE 49 4.545 9.947 -2.156
331 HD11 ILE 49 3HD1 ILE 49 4.318 10.473 -5.099
332 HD12 ILE 49 1HD1 ILE 49 5.179 9.323 -6.112
333 HD13 ILE 49 2HD1 ILE 49 5.688 11.022 -6.093
334 H ASN 50 H ASN 50 5.798 9.207 -0.274
335 HA ASN 50 HA ASN 50 7.181 11.723 -0.231
336 HB2 ASN 50 2HB ASN 50 5.362 10.439 1.808
337 HB3 ASN 50 1HB ASN 50 6.007 12.075 1.948
338 HD21 ASN 50 1HD2 ASN 50 5.185 13.710 0.644
339 HD22 ASN 50 2HD2 ASN 50 3.759 13.490 -0.268
340 H CYS 51 H CYS 51 7.438 8.656 1.358
341 HA CYS 51 HA CYS 51 9.415 9.484 3.267
342 HB2 CYS 51 2HB CYS 51 8.569 6.750 2.303
343 HB3 CYS 51 1HB CYS 51 9.913 6.983 3.404
344 H ALA 52 H ALA 52 9.473 8.562 -0.034
345 HA ALA 52 HA ALA 52 12.314 7.947 0.001
346 HB1 ALA 52 3HB ALA 52 12.069 7.362 -2.360
347 HB2 ALA 52 1HB ALA 52 10.393 7.912 -2.328
348 HB3 ALA 52 2HB ALA 52 10.877 6.527 -1.352
Start of MODEL 7
1 HA SER 1 HA SER 1 -11.868 6.672 4.294
2 HB2 SER 1 2HB SER 1 -12.601 3.733 3.916
3 HB3 SER 1 1HB SER 1 -11.322 4.379 4.950
4 HG SER 1 HG SER 1 -13.993 5.185 5.250
5 H VAL 2 H VAL 2 -10.294 7.388 2.991
6 HA VAL 2 HA VAL 2 -9.631 5.830 0.578
7 HB VAL 2 HB VAL 2 -9.157 8.788 1.089
8 HG11 VAL 2 1HG1 VAL 2 -8.587 8.909 -1.296
9 HG12 VAL 2 2HG1 VAL 2 -8.682 7.132 -1.381
10 HG13 VAL 2 3HG1 VAL 2 -7.470 7.911 -0.372
11 HG21 VAL 2 3HG2 VAL 2 -10.902 9.182 -0.650
12 HG22 VAL 2 1HG2 VAL 2 -11.528 8.394 0.807
13 HG23 VAL 2 2HG2 VAL 2 -11.235 7.449 -0.639
14 H CYS 3 H CYS 3 -7.511 5.090 0.382
15 HA CYS 3 HA CYS 3 -5.879 5.401 2.720
16 HB2 CYS 3 2HB CYS 3 -4.987 3.393 2.096
17 HB3 CYS 3 1HB CYS 3 -6.358 3.308 1.001
18 H ALA 4 H ALA 4 -3.352 5.414 1.913
19 HA ALA 4 HA ALA 4 -3.006 7.988 0.609
20 HB1 ALA 4 1HB ALA 4 -1.875 7.569 2.743
21 HB2 ALA 4 2HB ALA 4 -0.695 7.814 1.454
22 HB3 ALA 4 3HB ALA 4 -1.041 6.193 2.037
23 H ALA 5 H ALA 5 -2.767 7.941 -1.541
24 HA ALA 5 HA ALA 5 -0.489 6.911 -2.793
25 HB1 ALA 5 1HB ALA 5 -3.083 5.515 -3.579
26 HB2 ALA 5 2HB ALA 5 -1.738 4.725 -2.774
27 HB3 ALA 5 3HB ALA 5 -1.542 5.309 -4.410
28 H GLN 6 H GLN 6 -0.114 8.280 -4.533
29 HA GLN 6 HA GLN 6 -1.630 10.449 -5.099
30 HB2 GLN 6 2HB GLN 6 0.221 8.916 -6.929
31 HB3 GLN 6 1HB GLN 6 -0.421 10.521 -7.309
32 HG2 GLN 6 2HG GLN 6 0.742 11.435 -5.352
33 HG3 GLN 6 1HG GLN 6 1.305 9.831 -4.924
34 HE21 GLN 6 1HE2 GLN 6 2.837 12.245 -5.544
35 HE22 GLN 6 2HE2 GLN 6 3.854 11.823 -6.880
36 H ASN 7 H ASN 7 -1.765 7.365 -6.727
37 HA ASN 7 HA ASN 7 -4.476 8.094 -7.623
38 HB2 ASN 7 2HB ASN 7 -2.585 6.193 -9.070
39 HB3 ASN 7 1HB ASN 7 -4.268 6.410 -9.471
40 HD21 ASN 7 1HD2 ASN 7 -1.944 6.821 -11.110
41 HD22 ASN 7 2HD2 ASN 7 -1.983 8.485 -11.614
42 H CYS 8 H CYS 8 -5.530 7.287 -5.773
43 HA CYS 8 HA CYS 8 -5.049 4.483 -5.320
44 HB2 CYS 8 2HB CYS 8 -5.118 5.828 -3.253
45 HB3 CYS 8 1HB CYS 8 -6.719 6.388 -3.692
46 H GLN 9 H GLN 9 -6.120 3.104 -6.276
47 HA GLN 9 HA GLN 9 -8.394 3.506 -7.904
48 HB2 GLN 9 2HB GLN 9 -7.220 0.970 -6.787
49 HB3 GLN 9 1HB GLN 9 -8.315 1.014 -8.159
50 HG2 GLN 9 2HG GLN 9 -6.627 2.262 -9.437
51 HG3 GLN 9 1HG GLN 9 -5.540 2.196 -8.053
52 HE21 GLN 9 1HE2 GLN 9 -3.970 1.024 -9.122
53 HE22 GLN 9 2HE2 GLN 9 -4.193 -0.606 -9.601
54 H ARG 10 H ARG 10 -8.168 3.297 -4.613
55 HA ARG 10 HA ARG 10 -9.350 2.544 -2.818
56 HB2 ARG 10 2HB ARG 10 -11.587 3.715 -4.509
57 HB3 ARG 10 1HB ARG 10 -11.721 3.336 -2.804
58 HG2 ARG 10 2HG ARG 10 -9.805 4.900 -2.389
59 HG3 ARG 10 1HG ARG 10 -9.882 5.324 -4.081
60 HD2 ARG 10 2HD ARG 10 -12.163 5.652 -2.154
61 HD3 ARG 10 1HD ARG 10 -11.045 6.925 -2.617
62 HE ARG 10 HE ARG 10 -12.610 5.578 -4.686
63 HH11 ARG 10 1HH1 ARG 10 -12.007 8.482 -2.757
64 HH12 ARG 10 2HH1 ARG 10 -12.929 9.501 -3.763
65 HH21 ARG 10 1HH2 ARG 10 -13.856 6.952 -6.006
66 HH22 ARG 10 2HH2 ARG 10 -14.022 8.611 -5.667
67 HA PRO 11 HA PRO 11 -11.107 -1.411 -4.700
68 HB2 PRO 11 2HB PRO 11 -8.670 -2.807 -3.939
69 HB3 PRO 11 1HB PRO 11 -9.415 -2.707 -5.539
70 HG2 PRO 11 2HG PRO 11 -7.049 -1.499 -4.906
71 HG3 PRO 11 1HG PRO 11 -8.178 -0.833 -6.109
72 HD2 PRO 11 2HD PRO 11 -7.777 -0.075 -3.232
73 HD3 PRO 11 1HD PRO 11 -7.978 0.968 -4.654
74 H CYS 12 H CYS 12 -12.347 -2.494 -3.330
75 HA CYS 12 HA CYS 12 -11.367 -3.051 -0.640
76 HB2 CYS 12 2HB CYS 12 -13.151 -1.341 -0.651
77 HB3 CYS 12 1HB CYS 12 -14.192 -2.412 -1.574
78 HG CYS 12 HG CYS 12 -13.385 -2.532 1.728
79 H LYS 13 H LYS 13 -10.971 -5.170 -0.461
80 HA LYS 13 HA LYS 13 -12.895 -7.082 -1.400
81 HB2 LYS 13 2HB LYS 13 -9.955 -7.303 -2.131
82 HB3 LYS 13 1HB LYS 13 -11.146 -8.580 -2.321
83 HG2 LYS 13 2HG LYS 13 -12.349 -7.143 -3.937
84 HG3 LYS 13 1HG LYS 13 -11.054 -5.950 -3.792
85 HD2 LYS 13 2HD LYS 13 -9.432 -7.588 -4.614
86 HD3 LYS 13 1HD LYS 13 -10.682 -8.815 -4.703
87 HE2 LYS 13 2HE LYS 13 -11.891 -7.426 -6.326
88 HE3 LYS 13 1HE LYS 13 -10.571 -6.256 -6.294
89 HZ1 LYS 13 3HZ LYS 13 -10.365 -7.746 -8.180
90 HZ2 LYS 13 1HZ LYS 13 -10.391 -9.091 -7.160
91 HZ3 LYS 13 2HZ LYS 13 -9.090 -8.039 -7.112
92 H ASP 14 H ASP 14 -12.627 -9.137 -0.334
93 HA ASP 14 HA ASP 14 -11.700 -8.855 2.358
94 HB2 ASP 14 2HB ASP 14 -12.830 -11.274 0.916
95 HB3 ASP 14 1HB ASP 14 -12.402 -11.236 2.625
96 H LYS 15 H LYS 15 -10.216 -9.647 -0.475
97 HA LYS 15 HA LYS 15 -8.010 -10.884 0.978
98 HB2 LYS 15 2HB LYS 15 -8.788 -11.542 -1.863
99 HB3 LYS 15 1HB LYS 15 -7.337 -12.117 -1.057
100 HG2 LYS 15 2HG LYS 15 -8.828 -13.293 0.575
101 HG3 LYS 15 1HG LYS 15 -10.194 -12.877 -0.467
102 HD2 LYS 15 2HD LYS 15 -9.100 -13.996 -2.349
103 HD3 LYS 15 1HD LYS 15 -7.737 -14.414 -1.324
104 HE2 LYS 15 2HE LYS 15 -9.123 -16.341 -1.481
105 HE3 LYS 15 1HE LYS 15 -9.368 -15.676 0.130
106 HZ1 LYS 15 3HZ LYS 15 -11.451 -14.616 -0.758
107 HZ2 LYS 15 1HZ LYS 15 -11.446 -16.311 -0.841
108 HZ3 LYS 15 2HZ LYS 15 -11.153 -15.406 -2.211
109 H VAL 16 H VAL 16 -7.179 -8.811 1.285
110 HA VAL 16 HA VAL 16 -5.241 -8.167 -0.590
111 HB VAL 16 HB VAL 16 -7.024 -7.072 -1.905
112 HG11 VAL 16 1HG1 VAL 16 -8.659 -6.635 -0.212
113 HG12 VAL 16 2HG1 VAL 16 -8.225 -5.086 -0.976
114 HG13 VAL 16 3HG1 VAL 16 -7.501 -5.579 0.583
115 HG21 VAL 16 3HG2 VAL 16 -5.255 -5.063 -0.530
116 HG22 VAL 16 1HG2 VAL 16 -6.064 -4.805 -2.077
117 HG23 VAL 16 2HG2 VAL 16 -4.805 -6.041 -1.917
118 H ASP 17 H ASP 17 -3.983 -8.288 1.014
119 HA ASP 17 HA ASP 17 -4.106 -6.725 3.354
120 HB2 ASP 17 2HB ASP 17 -1.788 -8.199 2.116
121 HB3 ASP 17 1HB ASP 17 -1.668 -7.356 3.665
122 H TRP 18 H TRP 18 -2.919 -5.018 4.051
123 HA TRP 18 HA TRP 18 -2.417 -3.002 1.976
124 HB2 TRP 18 2HB TRP 18 -3.285 -2.721 4.867
125 HB3 TRP 18 1HB TRP 18 -2.967 -1.379 3.785
126 HD1 TRP 18 HD TRP 18 -5.170 -4.569 3.329
127 HE1 TRP 18 1HE TRP 18 -7.478 -3.868 2.588
128 HE3 TRP 18 3HE TRP 18 -4.483 0.481 3.488
129 HZ2 TRP 18 2HZ TRP 18 -8.912 -1.402 2.182
130 HZ3 TRP 18 3HZ TRP 18 -6.362 1.943 2.928
131 HH2 TRP 18 HH TRP 18 -8.538 1.025 2.291
132 H VAL 19 H VAL 19 -0.653 -1.343 2.550
133 HA VAL 19 HA VAL 19 1.323 -2.547 4.294
134 HB VAL 19 HB VAL 19 3.084 -1.700 2.708
135 HG11 VAL 19 1HG1 VAL 19 2.452 -4.077 2.658
136 HG12 VAL 19 2HG1 VAL 19 2.853 -3.474 1.056
137 HG13 VAL 19 3HG1 VAL 19 1.160 -3.682 1.527
138 HG21 VAL 19 3HG2 VAL 19 2.452 -1.158 0.393
139 HG22 VAL 19 1HG2 VAL 19 1.729 -0.032 1.543
140 HG23 VAL 19 2HG2 VAL 19 0.752 -1.313 0.828
141 H GLN 20 H GLN 20 2.195 -1.158 5.731
142 HA GLN 20 HA GLN 20 1.391 1.637 5.551
143 HB2 GLN 20 2HB GLN 20 0.872 0.507 7.667
144 HB3 GLN 20 1HB GLN 20 2.530 -0.014 7.855
145 HG2 GLN 20 2HG GLN 20 3.265 2.283 8.121
146 HG3 GLN 20 1HG GLN 20 1.633 2.876 7.847
147 HE21 GLN 20 1HE2 GLN 20 3.391 3.346 10.124
148 HE22 GLN 20 2HE2 GLN 20 2.575 2.756 11.510
149 H CYS 21 H CYS 21 2.983 3.207 5.252
150 HA CYS 21 HA CYS 21 5.646 2.135 4.742
151 HB2 CYS 21 2HB CYS 21 6.270 4.334 3.776
152 HB3 CYS 21 1HB CYS 21 4.766 3.786 3.108
153 H ASP 22 H ASP 22 6.832 1.728 6.342
154 HA ASP 22 HA ASP 22 6.622 3.212 8.803
155 HB2 ASP 22 2HB ASP 22 8.146 0.733 8.020
156 HB3 ASP 22 1HB ASP 22 8.469 1.524 9.556
157 H GLY 23 H GLY 23 7.813 4.269 6.267
158 HA2 GLY 23 2HA GLY 23 10.588 4.765 6.983
159 HA3 GLY 23 1HA GLY 23 9.806 5.282 5.501
160 H GLY 24 H GLY 24 7.598 6.149 7.724
161 HA2 GLY 24 2HA GLY 24 8.249 8.081 9.386
162 HA3 GLY 24 1HA GLY 24 8.749 8.869 7.913
163 H CYS 25 H CYS 25 6.031 7.467 6.763
164 HA CYS 25 HA CYS 25 4.452 9.836 7.530
165 HB2 CYS 25 2HB CYS 25 3.612 7.743 5.522
166 HB3 CYS 25 1HB CYS 25 2.983 9.366 5.687
167 H ASP 26 H ASP 26 4.571 6.455 7.999
168 HA ASP 26 HA ASP 26 3.313 4.878 9.128
169 HB2 ASP 26 2HB ASP 26 2.043 7.270 10.519
170 HB3 ASP 26 1HB ASP 26 1.862 5.605 10.988
171 H GLU 27 H GLU 27 2.218 6.284 6.661
172 HA GLU 27 HA GLU 27 -0.614 5.890 7.102
173 HB2 GLU 27 2HB GLU 27 0.843 7.085 4.750
174 HB3 GLU 27 1HB GLU 27 -0.900 6.914 4.816
175 HG2 GLU 27 2HG GLU 27 -0.871 8.308 6.895
176 HG3 GLU 27 1HG GLU 27 0.856 8.551 6.640
177 H TRP 28 H TRP 28 -1.876 4.864 5.470
178 HA TRP 28 HA TRP 28 -0.692 2.239 4.870
179 HB2 TRP 28 2HB TRP 28 -3.527 2.974 5.580
180 HB3 TRP 28 1HB TRP 28 -3.077 1.390 4.988
181 HD1 TRP 28 HD TRP 28 -2.580 3.657 8.066
182 HE1 TRP 28 1HE TRP 28 -1.829 2.181 10.025
183 HE3 TRP 28 3HE TRP 28 -1.989 -0.754 5.572
184 HZ2 TRP 28 2HZ TRP 28 -1.099 -0.515 10.473
185 HZ3 TRP 28 3HZ TRP 28 -1.255 -2.750 6.847
186 HH2 TRP 28 HH TRP 28 -0.829 -2.625 9.235
187 H PHE 29 H PHE 29 -0.540 1.614 2.929
188 HA PHE 29 HA PHE 29 -2.033 2.977 0.752
189 HB2 PHE 29 2HB PHE 29 0.689 1.594 0.481
190 HB3 PHE 29 1HB PHE 29 -0.124 2.628 -0.657
191 HD1 PHE 29 1HD PHE 29 1.137 2.816 2.836
192 HD2 PHE 29 2HD PHE 29 0.702 4.800 -0.906
193 HE1 PHE 29 1HE PHE 29 2.418 4.689 3.683
194 HE2 PHE 29 2HE PHE 29 1.997 6.686 -0.040
195 HZ PHE 29 HZ PHE 29 2.855 6.611 2.311
196 H HIS 30 H HIS 30 -2.551 1.585 -1.061
197 HA HIS 30 HA HIS 30 -3.094 -1.241 -0.366
198 HB2 HIS 30 2HB HIS 30 -3.940 0.607 -2.497
199 HB3 HIS 30 1HB HIS 30 -4.161 -1.032 -2.892
200 HD2 HIS 30 2HD HIS 30 -6.140 -2.171 -0.864
201 HE1 HIS 30 1HE HIS 30 -8.027 1.623 -0.732
202 HE2 HIS 30 2HE HIS 30 -8.342 -0.884 -0.629
203 H GLN 31 H GLN 31 -2.045 -2.844 -1.346
204 HA GLN 31 HA GLN 31 0.397 -2.362 -2.581
205 HB2 GLN 31 2HB GLN 31 -1.239 -4.902 -2.620
206 HB3 GLN 31 1HB GLN 31 0.362 -4.768 -3.329
207 HG2 GLN 31 2HG GLN 31 1.327 -4.221 -1.201
208 HG3 GLN 31 1HG GLN 31 -0.246 -4.231 -0.430
209 HE21 GLN 31 1HE2 GLN 31 -1.188 -6.220 0.042
210 HE22 GLN 31 2HE2 GLN 31 -0.353 -7.707 -0.098
211 H VAL 32 H VAL 32 -2.698 -3.020 -4.132
212 HA VAL 32 HA VAL 32 -1.536 -3.031 -6.745
213 HB VAL 32 HB VAL 32 -3.671 -4.183 -6.356
214 HG11 VAL 32 1HG1 VAL 32 -4.698 -1.424 -6.027
215 HG12 VAL 32 2HG1 VAL 32 -4.533 -2.573 -4.711
216 HG13 VAL 32 3HG1 VAL 32 -5.744 -2.852 -6.010
217 HG21 VAL 32 3HG2 VAL 32 -3.135 -3.361 -8.603
218 HG22 VAL 32 1HG2 VAL 32 -3.958 -1.857 -8.190
219 HG23 VAL 32 2HG2 VAL 32 -4.882 -3.375 -8.280
220 H CYS 33 H CYS 33 -3.058 -0.637 -4.851
221 HA CYS 33 HA CYS 33 -3.284 1.312 -6.992
222 HB2 CYS 33 2HB CYS 33 -4.342 2.808 -5.513
223 HB3 CYS 33 1HB CYS 33 -4.845 1.255 -4.952
224 H VAL 34 H VAL 34 -0.798 0.755 -4.518
225 HA VAL 34 HA VAL 34 0.545 3.047 -5.626
226 HB VAL 34 HB VAL 34 0.197 2.385 -3.018
227 HG11 VAL 34 1HG1 VAL 34 1.920 1.347 -1.972
228 HG12 VAL 34 2HG1 VAL 34 2.676 1.019 -3.521
229 HG13 VAL 34 3HG1 VAL 34 1.123 0.271 -3.131
230 HG21 VAL 34 3HG2 VAL 34 1.999 3.769 -2.491
231 HG22 VAL 34 1HG2 VAL 34 1.098 4.367 -3.881
232 HG23 VAL 34 2HG2 VAL 34 2.678 3.571 -4.151
233 H GLY 35 H GLY 35 0.241 0.102 -6.599
234 HA2 GLY 35 2HA GLY 35 1.523 -1.513 -7.716
235 HA3 GLY 35 1HA GLY 35 2.657 -0.230 -7.980
236 H VAL 36 H VAL 36 1.706 -2.561 -5.337
237 HA VAL 36 HA VAL 36 4.510 -3.108 -4.867
238 HB VAL 36 HB VAL 36 2.131 -3.088 -2.975
239 HG11 VAL 36 1HG1 VAL 36 4.969 -3.962 -2.368
240 HG12 VAL 36 2HG1 VAL 36 3.525 -4.964 -2.474
241 HG13 VAL 36 3HG1 VAL 36 3.655 -3.778 -1.180
242 HG21 VAL 36 3HG2 VAL 36 4.607 -1.384 -3.012
243 HG22 VAL 36 1HG2 VAL 36 3.456 -1.456 -1.685
244 HG23 VAL 36 2HG2 VAL 36 2.918 -0.892 -3.247
245 H SER 37 H SER 37 4.853 -5.511 -4.592
246 HA SER 37 HA SER 37 2.610 -7.039 -5.526
247 HB2 SER 37 2HB SER 37 4.422 -8.705 -5.918
248 HB3 SER 37 1HB SER 37 4.609 -7.218 -6.849
249 HG SER 37 HG SER 37 6.411 -6.858 -5.896
250 HA PRO 38 HA PRO 38 2.037 -8.745 -1.398
251 HB2 PRO 38 2HB PRO 38 2.305 -11.427 -2.700
252 HB3 PRO 38 1HB PRO 38 1.065 -10.842 -1.593
253 HG2 PRO 38 2HG PRO 38 0.571 -11.002 -4.171
254 HG3 PRO 38 1HG PRO 38 -0.028 -9.623 -3.243
255 HD2 PRO 38 2HD PRO 38 2.228 -9.765 -5.203
256 HD3 PRO 38 1HD PRO 38 1.116 -8.431 -4.853
257 H GLU 39 H GLU 39 4.679 -9.721 -3.429
258 HA GLU 39 HA GLU 39 6.253 -11.209 -1.516
259 HB2 GLU 39 2HB GLU 39 6.248 -11.526 -4.029
260 HB3 GLU 39 1HB GLU 39 6.979 -9.933 -4.157
261 HG2 GLU 39 2HG GLU 39 8.947 -10.696 -3.041
262 HG3 GLU 39 1HG GLU 39 8.231 -12.291 -2.745
263 H MET 40 H MET 40 6.026 -7.848 -2.640
264 HA MET 40 HA MET 40 8.438 -7.188 -1.250
265 HB2 MET 40 2HB MET 40 7.475 -5.765 -3.246
266 HB3 MET 40 1HB MET 40 6.324 -5.279 -2.094
267 HG2 MET 40 2HG MET 40 7.647 -4.092 -0.747
268 HG3 MET 40 1HG MET 40 9.131 -4.922 -1.231
269 HE1 MET 40 3HE MET 40 6.431 -3.291 -3.616
270 HE2 MET 40 1HE MET 40 7.076 -1.658 -3.803
271 HE3 MET 40 2HE MET 40 6.480 -2.183 -2.224
272 H ALA 41 H ALA 41 5.071 -7.051 -0.631
273 HA ALA 41 HA ALA 41 4.990 -5.517 1.679
274 HB1 ALA 41 1HB ALA 41 2.869 -6.612 2.172
275 HB2 ALA 41 2HB ALA 41 3.233 -7.873 0.994
276 HB3 ALA 41 3HB ALA 41 2.987 -6.219 0.463
277 H GLU 42 H GLU 42 5.370 -8.997 1.452
278 HA GLU 42 HA GLU 42 5.767 -9.086 4.365
279 HB2 GLU 42 2HB GLU 42 5.645 -11.409 2.464
280 HB3 GLU 42 1HB GLU 42 5.720 -11.537 4.202
281 HG2 GLU 42 2HG GLU 42 3.556 -10.294 4.328
282 HG3 GLU 42 1HG GLU 42 3.468 -10.388 2.566
283 H ASN 43 H ASN 43 7.774 -9.004 1.600
284 HA ASN 43 HA ASN 43 9.852 -10.400 3.063
285 HB2 ASN 43 2HB ASN 43 9.595 -9.885 0.108
286 HB3 ASN 43 1HB ASN 43 10.962 -10.683 0.874
287 HD21 ASN 43 1HD2 ASN 43 10.705 -12.759 1.603
288 HD22 ASN 43 2HD2 ASN 43 9.349 -13.751 1.251
289 H GLU 44 H GLU 44 9.037 -7.213 1.997
290 HA GLU 44 HA GLU 44 11.621 -6.337 3.034
291 HB2 GLU 44 2HB GLU 44 10.473 -5.234 0.461
292 HB3 GLU 44 1HB GLU 44 11.831 -4.540 1.324
293 HG2 GLU 44 2HG GLU 44 13.038 -6.704 0.978
294 HG3 GLU 44 1HG GLU 44 11.713 -7.200 -0.068
295 H ASP 45 H ASP 45 11.610 -3.842 3.142
296 HA ASP 45 HA ASP 45 9.297 -3.050 4.719
297 HB2 ASP 45 2HB ASP 45 11.438 -2.728 5.728
298 HB3 ASP 45 1HB ASP 45 12.029 -1.854 4.310
299 H TYR 46 H TYR 46 7.749 -1.890 3.890
300 HA TYR 46 HA TYR 46 8.004 -0.721 1.285
301 HB2 TYR 46 2HB TYR 46 5.836 -1.702 1.701
302 HB3 TYR 46 1HB TYR 46 5.605 -0.682 3.136
303 HD1 TYR 46 1HD TYR 46 5.718 -0.744 -0.557
304 HD2 TYR 46 2HD TYR 46 4.843 1.538 2.903
305 HE1 TYR 46 1HE TYR 46 4.594 1.040 -1.958
306 HE2 TYR 46 2HE TYR 46 3.751 3.254 1.476
307 HH TYR 46 HH TYR 46 2.969 2.726 -1.669
308 H ILE 47 H ILE 47 9.135 0.805 1.104
309 HA ILE 47 HA ILE 47 8.808 3.350 2.595
310 HB ILE 47 HB ILE 47 10.666 2.775 0.241
311 HG12 ILE 47 2HG1 ILE 47 11.287 1.402 2.204
312 HG13 ILE 47 1HG1 ILE 47 12.502 2.617 1.860
313 HG21 ILE 47 1HG2 ILE 47 10.181 5.156 0.511
314 HG22 ILE 47 2HG2 ILE 47 11.847 4.805 1.015
315 HG23 ILE 47 3HG2 ILE 47 10.567 5.003 2.231
316 HD11 ILE 47 3HD1 ILE 47 10.395 2.824 4.010
317 HD12 ILE 47 1HD1 ILE 47 11.627 4.032 3.657
318 HD13 ILE 47 2HD1 ILE 47 12.101 2.440 4.258
319 H CYS 48 H CYS 48 7.656 5.267 1.572
320 HA CYS 48 HA CYS 48 6.252 4.399 -0.785
321 HB2 CYS 48 2HB CYS 48 4.572 5.933 -0.215
322 HB3 CYS 48 1HB CYS 48 4.979 5.177 1.301
323 H ILE 49 H ILE 49 5.736 6.370 -2.149
324 HA ILE 49 HA ILE 49 8.052 7.448 -3.251
325 HB ILE 49 HB ILE 49 6.009 7.252 -4.530
326 HG12 ILE 49 2HG1 ILE 49 6.815 10.119 -4.280
327 HG13 ILE 49 1HG1 ILE 49 7.760 8.896 -5.138
328 HG21 ILE 49 1HG2 ILE 49 4.353 7.778 -2.851
329 HG22 ILE 49 2HG2 ILE 49 4.138 8.800 -4.277
330 HG23 ILE 49 3HG2 ILE 49 4.890 9.468 -2.834
331 HD11 ILE 49 3HD1 ILE 49 6.478 10.222 -6.714
332 HD12 ILE 49 1HD1 ILE 49 4.981 9.810 -5.838
333 HD13 ILE 49 2HD1 ILE 49 5.904 8.532 -6.622
334 H ASN 50 H ASN 50 5.945 8.846 -0.804
335 HA ASN 50 HA ASN 50 7.263 11.386 -0.784
336 HB2 ASN 50 2HB ASN 50 5.327 10.144 1.192
337 HB3 ASN 50 1HB ASN 50 5.940 11.789 1.329
338 HD21 ASN 50 1HD2 ASN 50 5.176 13.349 -0.121
339 HD22 ASN 50 2HD2 ASN 50 3.793 13.071 -1.107
340 H CYS 51 H CYS 51 7.616 8.376 0.887
341 HA CYS 51 HA CYS 51 9.508 9.371 2.838
342 HB2 CYS 51 2HB CYS 51 8.702 6.572 2.046
343 HB3 CYS 51 1HB CYS 51 10.059 6.835 3.109
344 H ALA 52 H ALA 52 9.632 8.192 -0.346
345 HA ALA 52 HA ALA 52 12.466 7.531 -0.294
346 HB1 ALA 52 3HB ALA 52 10.529 7.577 -2.608
347 HB2 ALA 52 1HB ALA 52 10.943 6.161 -1.639
348 HB3 ALA 52 2HB ALA 52 12.162 6.916 -2.677
Start of MODEL 8
1 HA SER 1 HA SER 1 -12.581 4.424 3.176
2 HB2 SER 1 2HB SER 1 -13.715 7.150 2.417
3 HB3 SER 1 1HB SER 1 -14.288 5.596 1.800
4 HG SER 1 HG SER 1 -14.324 5.349 4.379
5 H VAL 2 H VAL 2 -10.364 6.867 2.823
6 HA VAL 2 HA VAL 2 -9.548 5.886 0.173
7 HB VAL 2 HB VAL 2 -9.205 8.782 1.026
8 HG11 VAL 2 1HG1 VAL 2 -8.913 7.449 -1.654
9 HG12 VAL 2 2HG1 VAL 2 -7.591 7.916 -0.607
10 HG13 VAL 2 3HG1 VAL 2 -8.634 9.156 -1.325
11 HG21 VAL 2 3HG2 VAL 2 -11.597 8.352 0.746
12 HG22 VAL 2 1HG2 VAL 2 -11.307 7.684 -0.851
13 HG23 VAL 2 2HG2 VAL 2 -10.995 9.396 -0.552
14 H CYS 3 H CYS 3 -7.450 5.227 0.162
15 HA CYS 3 HA CYS 3 -5.970 5.393 2.646
16 HB2 CYS 3 2HB CYS 3 -4.838 3.534 1.846
17 HB3 CYS 3 1HB CYS 3 -6.325 3.390 0.898
18 H ALA 4 H ALA 4 -3.374 5.475 1.897
19 HA ALA 4 HA ALA 4 -3.058 8.076 0.627
20 HB1 ALA 4 1HB ALA 4 -1.040 6.312 2.045
21 HB2 ALA 4 2HB ALA 4 -1.880 7.686 2.752
22 HB3 ALA 4 3HB ALA 4 -0.730 7.936 1.451
23 H ALA 5 H ALA 5 -2.812 8.006 -1.540
24 HA ALA 5 HA ALA 5 -0.533 6.930 -2.771
25 HB1 ALA 5 1HB ALA 5 -1.622 5.340 -4.393
26 HB2 ALA 5 2HB ALA 5 -3.144 5.542 -3.561
27 HB3 ALA 5 3HB ALA 5 -1.783 4.780 -2.744
28 H GLN 6 H GLN 6 -0.105 8.317 -4.444
29 HA GLN 6 HA GLN 6 -1.569 10.529 -5.043
30 HB2 GLN 6 2HB GLN 6 0.295 8.977 -6.875
31 HB3 GLN 6 1HB GLN 6 -0.238 10.625 -7.169
32 HG2 GLN 6 2HG GLN 6 0.934 11.318 -5.168
33 HG3 GLN 6 1HG GLN 6 1.365 9.628 -4.847
34 HE21 GLN 6 1HE2 GLN 6 1.951 12.365 -6.907
35 HE22 GLN 6 2HE2 GLN 6 3.371 11.701 -7.639
36 H ASN 7 H ASN 7 -1.672 7.487 -6.701
37 HA ASN 7 HA ASN 7 -4.340 8.237 -7.700
38 HB2 ASN 7 2HB ASN 7 -2.793 8.082 -9.613
39 HB3 ASN 7 1HB ASN 7 -2.361 6.439 -9.170
40 HD21 ASN 7 1HD2 ASN 7 -4.823 8.491 -10.505
41 HD22 ASN 7 2HD2 ASN 7 -5.811 7.241 -11.168
42 H CYS 8 H CYS 8 -5.548 7.320 -6.148
43 HA CYS 8 HA CYS 8 -4.966 4.559 -5.593
44 HB2 CYS 8 2HB CYS 8 -5.258 5.953 -3.540
45 HB3 CYS 8 1HB CYS 8 -6.832 6.419 -4.106
46 H GLN 9 H GLN 9 -6.021 3.101 -6.567
47 HA GLN 9 HA GLN 9 -8.273 3.441 -8.294
48 HB2 GLN 9 2HB GLN 9 -7.131 0.937 -7.079
49 HB3 GLN 9 1HB GLN 9 -8.164 0.992 -8.499
50 HG2 GLN 9 2HG GLN 9 -6.413 2.207 -9.712
51 HG3 GLN 9 1HG GLN 9 -5.401 2.160 -8.274
52 HE21 GLN 9 1HE2 GLN 9 -3.773 0.995 -9.232
53 HE22 GLN 9 2HE2 GLN 9 -3.942 -0.657 -9.690
54 H ARG 10 H ARG 10 -8.038 3.349 -5.043
55 HA ARG 10 HA ARG 10 -9.154 2.657 -3.244
56 HB2 ARG 10 2HB ARG 10 -10.010 4.824 -3.849
57 HB3 ARG 10 1HB ARG 10 -11.252 4.112 -4.849
58 HG2 ARG 10 2HG ARG 10 -12.490 3.414 -2.976
59 HG3 ARG 10 1HG ARG 10 -11.126 3.669 -1.870
60 HD2 ARG 10 2HD ARG 10 -12.757 5.475 -1.694
61 HD3 ARG 10 1HD ARG 10 -11.214 6.039 -2.257
62 HE ARG 10 HE ARG 10 -13.478 5.588 -4.081
63 HH11 ARG 10 1HH1 ARG 10 -10.651 7.543 -3.102
64 HH12 ARG 10 2HH1 ARG 10 -10.889 8.731 -4.297
65 HH21 ARG 10 1HH2 ARG 10 -13.762 7.267 -5.717
66 HH22 ARG 10 2HH2 ARG 10 -12.709 8.579 -5.795
67 HA PRO 11 HA PRO 11 -11.307 -1.183 -4.761
68 HB2 PRO 11 2HB PRO 11 -8.951 -2.654 -4.054
69 HB3 PRO 11 1HB PRO 11 -9.689 -2.526 -5.675
70 HG2 PRO 11 2HG PRO 11 -7.251 -1.489 -5.057
71 HG3 PRO 11 1HG PRO 11 -8.353 -0.703 -6.201
72 HD2 PRO 11 2HD PRO 11 -7.948 -0.100 -3.283
73 HD3 PRO 11 1HD PRO 11 -7.966 1.023 -4.665
74 H CYS 12 H CYS 12 -12.342 -2.553 -3.352
75 HA CYS 12 HA CYS 12 -11.243 -2.886 -0.661
76 HB2 CYS 12 2HB CYS 12 -14.166 -2.609 -1.431
77 HB3 CYS 12 1HB CYS 12 -13.532 -2.820 0.194
78 HG CYS 12 HG CYS 12 -13.947 -0.082 -1.602
79 H LYS 13 H LYS 13 -10.933 -5.029 -0.217
80 HA LYS 13 HA LYS 13 -12.743 -6.989 -1.330
81 HB2 LYS 13 2HB LYS 13 -9.730 -7.276 -1.480
82 HB3 LYS 13 1HB LYS 13 -10.893 -8.524 -1.805
83 HG2 LYS 13 2HG LYS 13 -11.717 -7.218 -3.721
84 HG3 LYS 13 1HG LYS 13 -10.444 -6.027 -3.408
85 HD2 LYS 13 2HD LYS 13 -8.727 -7.734 -3.649
86 HD3 LYS 13 1HD LYS 13 -9.953 -8.962 -3.920
87 HE2 LYS 13 2HE LYS 13 -10.619 -7.782 -5.973
88 HE3 LYS 13 1HE LYS 13 -9.324 -6.612 -5.697
89 HZ1 LYS 13 3HZ LYS 13 -7.722 -8.463 -5.788
90 HZ2 LYS 13 1HZ LYS 13 -8.548 -8.301 -7.230
91 HZ3 LYS 13 2HZ LYS 13 -8.935 -9.538 -6.163
92 H ASP 14 H ASP 14 -12.560 -9.015 -0.180
93 HA ASP 14 HA ASP 14 -11.903 -8.692 2.630
94 HB2 ASP 14 2HB ASP 14 -12.913 -11.106 1.109
95 HB3 ASP 14 1HB ASP 14 -12.722 -11.055 2.852
96 H LYS 15 H LYS 15 -10.383 -9.512 -0.165
97 HA LYS 15 HA LYS 15 -8.217 -10.873 1.257
98 HB2 LYS 15 2HB LYS 15 -9.192 -11.522 -1.556
99 HB3 LYS 15 1HB LYS 15 -7.783 -12.228 -0.810
100 HG2 LYS 15 2HG LYS 15 -9.202 -13.305 0.873
101 HG3 LYS 15 1HG LYS 15 -10.627 -12.544 0.166
102 HD2 LYS 15 2HD LYS 15 -10.215 -13.740 -1.956
103 HD3 LYS 15 1HD LYS 15 -8.813 -14.543 -1.230
104 HE2 LYS 15 2HE LYS 15 -10.283 -15.583 0.424
105 HE3 LYS 15 1HE LYS 15 -11.658 -14.740 -0.274
106 HZ1 LYS 15 3HZ LYS 15 -11.249 -15.957 -2.368
107 HZ2 LYS 15 1HZ LYS 15 -11.584 -17.022 -1.107
108 HZ3 LYS 15 2HZ LYS 15 -10.015 -16.806 -1.652
109 H VAL 16 H VAL 16 -7.235 -8.795 1.447
110 HA VAL 16 HA VAL 16 -5.362 -8.271 -0.550
111 HB VAL 16 HB VAL 16 -7.149 -7.102 -1.772
112 HG11 VAL 16 1HG1 VAL 16 -8.237 -5.082 -0.830
113 HG12 VAL 16 2HG1 VAL 16 -7.351 -5.421 0.673
114 HG13 VAL 16 3HG1 VAL 16 -8.584 -6.539 0.140
115 HG21 VAL 16 3HG2 VAL 16 -4.866 -6.180 -1.925
116 HG22 VAL 16 1HG2 VAL 16 -5.203 -5.172 -0.520
117 HG23 VAL 16 2HG2 VAL 16 -6.076 -4.897 -2.027
118 H ASP 17 H ASP 17 -3.864 -8.224 0.859
119 HA ASP 17 HA ASP 17 -3.848 -6.803 3.313
120 HB2 ASP 17 2HB ASP 17 -1.494 -7.832 1.733
121 HB3 ASP 17 1HB ASP 17 -1.454 -7.394 3.438
122 H TRP 18 H TRP 18 -2.801 -4.968 3.927
123 HA TRP 18 HA TRP 18 -2.364 -2.936 1.841
124 HB2 TRP 18 2HB TRP 18 -3.178 -2.622 4.762
125 HB3 TRP 18 1HB TRP 18 -2.887 -1.315 3.625
126 HD1 TRP 18 HD TRP 18 -5.096 -4.488 3.167
127 HE1 TRP 18 1HE TRP 18 -7.453 -3.745 2.535
128 HE3 TRP 18 3HE TRP 18 -4.424 0.565 3.459
129 HZ2 TRP 18 2HZ TRP 18 -8.888 -1.302 2.235
130 HZ3 TRP 18 3HZ TRP 18 -6.343 2.041 3.004
131 HH2 TRP 18 HH TRP 18 -8.522 1.129 2.403
132 H VAL 19 H VAL 19 -0.602 -1.235 2.419
133 HA VAL 19 HA VAL 19 1.437 -2.495 4.044
134 HB VAL 19 HB VAL 19 3.152 -1.558 2.489
135 HG11 VAL 19 1HG1 VAL 19 2.920 -3.227 0.732
136 HG12 VAL 19 2HG1 VAL 19 1.242 -3.490 1.183
137 HG13 VAL 19 3HG1 VAL 19 2.531 -3.906 2.315
138 HG21 VAL 19 3HG2 VAL 19 1.826 0.185 1.422
139 HG22 VAL 19 1HG2 VAL 19 0.801 -1.036 0.665
140 HG23 VAL 19 2HG2 VAL 19 2.496 -0.901 0.204
141 H GLN 20 H GLN 20 2.583 -1.163 5.289
142 HA GLN 20 HA GLN 20 1.720 1.652 5.399
143 HB2 GLN 20 2HB GLN 20 1.160 0.278 7.390
144 HB3 GLN 20 1HB GLN 20 2.880 -0.044 7.612
145 HG2 GLN 20 2HG GLN 20 3.273 2.335 7.986
146 HG3 GLN 20 1HG GLN 20 1.560 2.659 7.755
147 HE21 GLN 20 1HE2 GLN 20 1.250 3.505 9.763
148 HE22 GLN 20 2HE2 GLN 20 1.343 2.585 11.213
149 H CYS 21 H CYS 21 3.254 3.216 5.361
150 HA CYS 21 HA CYS 21 5.922 2.257 4.704
151 HB2 CYS 21 2HB CYS 21 6.435 4.616 3.995
152 HB3 CYS 21 1HB CYS 21 5.038 3.945 3.158
153 H ASP 22 H ASP 22 7.173 1.783 6.226
154 HA ASP 22 HA ASP 22 7.107 3.014 8.845
155 HB2 ASP 22 2HB ASP 22 8.833 0.853 7.639
156 HB3 ASP 22 1HB ASP 22 9.147 1.509 9.236
157 H GLY 23 H GLY 23 7.801 4.667 6.654
158 HA2 GLY 23 2HA GLY 23 10.616 5.313 7.143
159 HA3 GLY 23 1HA GLY 23 9.651 5.994 5.838
160 H GLY 24 H GLY 24 7.414 6.334 7.930
161 HA2 GLY 24 2HA GLY 24 7.675 7.814 10.050
162 HA3 GLY 24 1HA GLY 24 8.428 8.933 8.933
163 H CYS 25 H CYS 25 5.885 7.530 7.230
164 HA CYS 25 HA CYS 25 4.175 9.850 7.870
165 HB2 CYS 25 2HB CYS 25 3.602 7.738 5.785
166 HB3 CYS 25 1HB CYS 25 2.883 9.336 5.904
167 H ASP 26 H ASP 26 4.348 6.431 8.221
168 HA ASP 26 HA ASP 26 3.109 4.809 9.231
169 HB2 ASP 26 2HB ASP 26 1.780 7.161 10.618
170 HB3 ASP 26 1HB ASP 26 1.479 5.491 11.024
171 H GLU 27 H GLU 27 2.071 6.261 6.744
172 HA GLU 27 HA GLU 27 -0.790 5.945 6.949
173 HB2 GLU 27 2HB GLU 27 0.932 6.581 4.548
174 HB3 GLU 27 1HB GLU 27 -0.827 6.622 4.625
175 HG2 GLU 27 2HG GLU 27 -0.761 8.406 6.224
176 HG3 GLU 27 1HG GLU 27 0.997 8.360 6.274
177 H TRP 28 H TRP 28 -1.961 4.747 5.375
178 HA TRP 28 HA TRP 28 -0.715 2.155 4.819
179 HB2 TRP 28 2HB TRP 28 -3.582 2.709 5.637
180 HB3 TRP 28 1HB TRP 28 -3.033 1.164 5.010
181 HD1 TRP 28 HD TRP 28 -2.750 3.403 8.109
182 HE1 TRP 28 1HE TRP 28 -1.815 1.982 10.055
183 HE3 TRP 28 3HE TRP 28 -1.620 -0.874 5.530
184 HZ2 TRP 28 2HZ TRP 28 -0.745 -0.601 10.427
185 HZ3 TRP 28 3HZ TRP 28 -0.638 -2.754 6.736
186 HH2 TRP 28 HH TRP 28 -0.211 -2.633 9.139
187 H PHE 29 H PHE 29 -0.629 1.550 2.859
188 HA PHE 29 HA PHE 29 -2.099 3.017 0.738
189 HB2 PHE 29 2HB PHE 29 0.579 1.565 0.535
190 HB3 PHE 29 1HB PHE 29 -0.161 2.629 -0.647
191 HD1 PHE 29 1HD PHE 29 1.139 2.654 2.838
192 HD2 PHE 29 2HD PHE 29 0.608 4.875 -0.756
193 HE1 PHE 29 1HE PHE 29 2.445 4.494 3.775
194 HE2 PHE 29 2HE PHE 29 1.921 6.704 0.184
195 HZ PHE 29 HZ PHE 29 2.845 6.519 2.457
196 H HIS 30 H HIS 30 -2.710 1.687 -1.069
197 HA HIS 30 HA HIS 30 -3.252 -1.149 -0.422
198 HB2 HIS 30 2HB HIS 30 -4.066 0.685 -2.618
199 HB3 HIS 30 1HB HIS 30 -4.333 -0.987 -2.905
200 HD2 HIS 30 2HD HIS 30 -6.320 -1.954 -0.800
201 HE1 HIS 30 1HE HIS 30 -8.159 1.852 -0.914
202 HE2 HIS 30 2HE HIS 30 -8.507 -0.605 -0.706
203 H GLN 31 H GLN 31 -2.162 -2.786 -1.404
204 HA GLN 31 HA GLN 31 0.278 -2.245 -2.579
205 HB2 GLN 31 2HB GLN 31 -1.350 -4.770 -2.617
206 HB3 GLN 31 1HB GLN 31 0.251 -4.659 -3.380
207 HG2 GLN 31 2HG GLN 31 1.227 -4.053 -1.232
208 HG3 GLN 31 1HG GLN 31 -0.350 -4.162 -0.472
209 HE21 GLN 31 1HE2 GLN 31 -1.152 -6.129 -0.014
210 HE22 GLN 31 2HE2 GLN 31 -0.297 -7.617 -0.135
211 H VAL 32 H VAL 32 -2.725 -3.117 -4.262
212 HA VAL 32 HA VAL 32 -1.514 -3.025 -6.814
213 HB VAL 32 HB VAL 32 -3.662 -4.202 -6.441
214 HG11 VAL 32 1HG1 VAL 32 -4.605 -2.639 -4.869
215 HG12 VAL 32 2HG1 VAL 32 -5.737 -2.867 -6.238
216 HG13 VAL 32 3HG1 VAL 32 -4.667 -1.435 -6.153
217 HG21 VAL 32 3HG2 VAL 32 -3.889 -1.916 -8.300
218 HG22 VAL 32 1HG2 VAL 32 -4.817 -3.415 -8.444
219 HG23 VAL 32 2HG2 VAL 32 -3.052 -3.437 -8.691
220 H CYS 33 H CYS 33 -3.045 -0.652 -4.931
221 HA CYS 33 HA CYS 33 -3.210 1.352 -7.057
222 HB2 CYS 33 2HB CYS 33 -4.383 2.813 -5.615
223 HB3 CYS 33 1HB CYS 33 -4.843 1.259 -5.041
224 H VAL 34 H VAL 34 -0.769 0.694 -4.558
225 HA VAL 34 HA VAL 34 0.604 3.010 -5.584
226 HB VAL 34 HB VAL 34 0.148 2.326 -2.993
227 HG11 VAL 34 1HG1 VAL 34 1.911 1.406 -1.892
228 HG12 VAL 34 2HG1 VAL 34 2.661 0.998 -3.428
229 HG13 VAL 34 3HG1 VAL 34 1.087 0.286 -2.980
230 HG21 VAL 34 3HG2 VAL 34 1.016 4.339 -3.826
231 HG22 VAL 34 1HG2 VAL 34 2.635 3.642 -3.982
232 HG23 VAL 34 2HG2 VAL 34 1.869 3.794 -2.369
233 H GLY 35 H GLY 35 0.288 0.106 -6.593
234 HA2 GLY 35 2HA GLY 35 1.510 -1.374 -7.893
235 HA3 GLY 35 1HA GLY 35 2.722 -0.128 -7.980
236 H VAL 36 H VAL 36 1.744 -1.947 -5.072
237 HA VAL 36 HA VAL 36 4.450 -3.035 -4.795
238 HB VAL 36 HB VAL 36 2.045 -3.076 -2.950
239 HG11 VAL 36 1HG1 VAL 36 4.860 -4.068 -2.380
240 HG12 VAL 36 2HG1 VAL 36 3.398 -5.004 -2.583
241 HG13 VAL 36 3HG1 VAL 36 3.528 -3.922 -1.207
242 HG21 VAL 36 3HG2 VAL 36 3.365 -1.518 -1.568
243 HG22 VAL 36 1HG2 VAL 36 2.952 -0.872 -3.156
244 HG23 VAL 36 2HG2 VAL 36 4.575 -1.470 -2.844
245 H SER 37 H SER 37 4.831 -5.395 -4.764
246 HA SER 37 HA SER 37 2.672 -6.902 -5.855
247 HB2 SER 37 2HB SER 37 4.572 -8.494 -6.214
248 HB3 SER 37 1HB SER 37 4.761 -6.979 -7.080
249 HG SER 37 HG SER 37 6.690 -7.259 -6.095
250 HA PRO 38 HA PRO 38 1.777 -8.659 -1.873
251 HB2 PRO 38 2HB PRO 38 1.571 -11.344 -2.526
252 HB3 PRO 38 1HB PRO 38 0.291 -10.140 -2.752
253 HG2 PRO 38 2HG PRO 38 2.291 -11.179 -4.711
254 HG3 PRO 38 1HG PRO 38 0.560 -10.880 -4.966
255 HD2 PRO 38 2HD PRO 38 2.375 -9.167 -5.877
256 HD3 PRO 38 1HD PRO 38 0.881 -8.555 -5.136
257 H GLU 39 H GLU 39 4.399 -9.903 -3.728
258 HA GLU 39 HA GLU 39 5.549 -11.545 -1.701
259 HB2 GLU 39 2HB GLU 39 5.809 -11.961 -4.146
260 HB3 GLU 39 1HB GLU 39 6.743 -10.477 -4.268
261 HG2 GLU 39 2HG GLU 39 8.439 -11.404 -2.836
262 HG3 GLU 39 1HG GLU 39 7.519 -12.889 -2.627
263 H MET 40 H MET 40 5.731 -8.179 -2.633
264 HA MET 40 HA MET 40 8.295 -7.671 -1.420
265 HB2 MET 40 2HB MET 40 7.157 -6.150 -3.335
266 HB3 MET 40 1HB MET 40 6.242 -5.598 -2.014
267 HG2 MET 40 2HG MET 40 7.845 -4.552 -0.919
268 HG3 MET 40 1HG MET 40 9.168 -5.490 -1.618
269 HE1 MET 40 3HE MET 40 6.598 -2.604 -2.196
270 HE2 MET 40 1HE MET 40 6.273 -3.578 -3.634
271 HE3 MET 40 2HE MET 40 7.037 -2.007 -3.806
272 H ALA 41 H ALA 41 4.947 -7.296 -0.544
273 HA ALA 41 HA ALA 41 5.163 -5.677 1.685
274 HB1 ALA 41 1HB ALA 41 2.923 -6.490 2.313
275 HB2 ALA 41 2HB ALA 41 3.112 -7.853 1.216
276 HB3 ALA 41 3HB ALA 41 3.026 -6.227 0.574
277 H GLU 42 H GLU 42 5.280 -9.171 1.638
278 HA GLU 42 HA GLU 42 5.778 -9.287 4.538
279 HB2 GLU 42 2HB GLU 42 5.686 -11.618 2.623
280 HB3 GLU 42 1HB GLU 42 5.897 -11.737 4.354
281 HG2 GLU 42 2HG GLU 42 3.653 -10.604 4.567
282 HG3 GLU 42 1HG GLU 42 3.483 -10.838 2.825
283 H ASN 43 H ASN 43 7.840 -9.000 1.877
284 HA ASN 43 HA ASN 43 9.927 -10.295 3.447
285 HB2 ASN 43 2HB ASN 43 9.553 -10.194 0.501
286 HB3 ASN 43 1HB ASN 43 11.058 -10.702 1.264
287 HD21 ASN 43 1HD2 ASN 43 9.159 -12.252 -0.406
288 HD22 ASN 43 2HD2 ASN 43 8.675 -13.590 0.587
289 H GLU 44 H GLU 44 9.075 -7.273 1.960
290 HA GLU 44 HA GLU 44 11.769 -6.352 2.630
291 HB2 GLU 44 2HB GLU 44 10.336 -5.658 0.051
292 HB3 GLU 44 1HB GLU 44 11.900 -5.033 0.561
293 HG2 GLU 44 2HG GLU 44 12.869 -7.253 0.467
294 HG3 GLU 44 1HG GLU 44 11.306 -7.939 0.029
295 H ASP 45 H ASP 45 11.896 -3.929 2.714
296 HA ASP 45 HA ASP 45 9.753 -3.053 4.429
297 HB2 ASP 45 2HB ASP 45 12.222 -1.545 3.544
298 HB3 ASP 45 1HB ASP 45 11.149 -1.140 4.881
299 H TYR 46 H TYR 46 7.984 -2.048 3.581
300 HA TYR 46 HA TYR 46 8.128 -0.680 1.106
301 HB2 TYR 46 2HB TYR 46 5.986 -1.728 1.648
302 HB3 TYR 46 1HB TYR 46 5.808 -0.729 3.087
303 HD1 TYR 46 1HD TYR 46 5.667 -0.690 -0.619
304 HD2 TYR 46 2HD TYR 46 5.116 1.564 2.941
305 HE1 TYR 46 1HE TYR 46 4.530 1.127 -1.924
306 HE2 TYR 46 2HE TYR 46 3.992 3.330 1.617
307 HH TYR 46 HH TYR 46 2.963 2.909 -1.494
308 H ILE 47 H ILE 47 8.981 1.028 0.851
309 HA ILE 47 HA ILE 47 8.750 3.293 2.747
310 HB ILE 47 HB ILE 47 10.741 3.040 0.441
311 HG12 ILE 47 2HG1 ILE 47 11.250 1.416 2.234
312 HG13 ILE 47 1HG1 ILE 47 12.468 2.665 2.132
313 HG21 ILE 47 1HG2 ILE 47 11.857 4.978 1.455
314 HG22 ILE 47 2HG2 ILE 47 10.545 5.084 2.654
315 HG23 ILE 47 3HG2 ILE 47 10.209 5.314 0.928
316 HD11 ILE 47 3HD1 ILE 47 11.489 3.798 4.087
317 HD12 ILE 47 1HD1 ILE 47 11.940 2.133 4.458
318 HD13 ILE 47 2HD1 ILE 47 10.251 2.552 4.178
319 H CYS 48 H CYS 48 7.782 5.445 1.817
320 HA CYS 48 HA CYS 48 6.387 4.793 -0.625
321 HB2 CYS 48 2HB CYS 48 4.725 6.309 0.005
322 HB3 CYS 48 1HB CYS 48 5.075 5.438 1.481
323 H ILE 49 H ILE 49 5.922 6.813 -1.858
324 HA ILE 49 HA ILE 49 8.155 8.037 -2.899
325 HB ILE 49 HB ILE 49 6.075 7.965 -4.087
326 HG12 ILE 49 2HG1 ILE 49 6.825 10.815 -3.513
327 HG13 ILE 49 1HG1 ILE 49 7.717 9.749 -4.585
328 HG21 ILE 49 1HG2 ILE 49 4.993 9.887 -2.039
329 HG22 ILE 49 2HG2 ILE 49 4.523 8.218 -2.227
330 HG23 ILE 49 3HG2 ILE 49 4.156 9.389 -3.509
331 HD11 ILE 49 3HD1 ILE 49 5.862 9.546 -6.028
332 HD12 ILE 49 1HD1 ILE 49 6.242 11.251 -5.835
333 HD13 ILE 49 2HD1 ILE 49 4.833 10.527 -4.999
334 H ASN 50 H ASN 50 6.204 9.171 -0.204
335 HA ASN 50 HA ASN 50 7.592 11.715 -0.054
336 HB2 ASN 50 2HB ASN 50 5.701 10.453 1.953
337 HB3 ASN 50 1HB ASN 50 6.305 12.090 2.036
338 HD21 ASN 50 1HD2 ASN 50 4.019 9.954 0.572
339 HD22 ASN 50 2HD2 ASN 50 3.171 11.168 -0.315
340 H CYS 51 H CYS 51 7.850 8.587 1.394
341 HA CYS 51 HA CYS 51 9.660 9.393 3.485
342 HB2 CYS 51 2HB CYS 51 8.787 6.713 2.459
343 HB3 CYS 51 1HB CYS 51 10.107 6.870 3.615
344 H ALA 52 H ALA 52 9.931 8.293 0.241
345 HA ALA 52 HA ALA 52 12.737 7.598 0.487
346 HB1 ALA 52 3HB ALA 52 12.697 7.140 -1.911
347 HB2 ALA 52 1HB ALA 52 11.077 7.842 -2.015
348 HB3 ALA 52 2HB ALA 52 11.330 6.367 -1.085
Start of MODEL 9
1 HA SER 1 HA SER 1 -12.776 6.333 2.889
2 HB2 SER 1 2HB SER 1 -11.209 4.705 4.027
3 HB3 SER 1 1HB SER 1 -12.891 4.405 4.380
4 HG SER 1 HG SER 1 -12.857 2.607 3.194
5 H VAL 2 H VAL 2 -10.623 6.994 2.350
6 HA VAL 2 HA VAL 2 -9.618 5.930 -0.207
7 HB VAL 2 HB VAL 2 -9.325 8.774 0.816
8 HG11 VAL 2 1HG1 VAL 2 -8.746 7.607 -1.911
9 HG12 VAL 2 2HG1 VAL 2 -7.552 8.073 -0.714
10 HG13 VAL 2 3HG1 VAL 2 -8.566 9.301 -1.466
11 HG21 VAL 2 3HG2 VAL 2 -11.698 8.375 0.339
12 HG22 VAL 2 1HG2 VAL 2 -11.282 7.756 -1.250
13 HG23 VAL 2 2HG2 VAL 2 -11.022 9.460 -0.869
14 H CYS 3 H CYS 3 -7.359 5.501 -0.203
15 HA CYS 3 HA CYS 3 -6.141 5.762 2.448
16 HB2 CYS 3 2HB CYS 3 -5.057 3.771 2.071
17 HB3 CYS 3 1HB CYS 3 -6.364 3.513 0.933
18 H ALA 4 H ALA 4 -3.532 5.655 1.847
19 HA ALA 4 HA ALA 4 -3.086 8.249 0.549
20 HB1 ALA 4 1HB ALA 4 -2.147 7.987 2.822
21 HB2 ALA 4 2HB ALA 4 -0.862 8.192 1.627
22 HB3 ALA 4 3HB ALA 4 -1.207 6.600 2.278
23 H ALA 5 H ALA 5 -2.542 8.093 -1.573
24 HA ALA 5 HA ALA 5 -0.194 6.713 -2.379
25 HB1 ALA 5 1HB ALA 5 -1.197 5.175 -4.051
26 HB2 ALA 5 2HB ALA 5 -2.804 5.655 -3.545
27 HB3 ALA 5 3HB ALA 5 -1.766 4.781 -2.430
28 H GLN 6 H GLN 6 0.641 7.736 -4.275
29 HA GLN 6 HA GLN 6 -0.201 10.021 -5.312
30 HB2 GLN 6 2HB GLN 6 1.883 8.786 -5.893
31 HB3 GLN 6 1HB GLN 6 0.944 7.696 -6.894
32 HG2 GLN 6 2HG GLN 6 0.272 9.751 -8.233
33 HG3 GLN 6 1HG GLN 6 1.483 10.611 -7.308
34 HE21 GLN 6 1HE2 GLN 6 3.660 10.238 -7.729
35 HE22 GLN 6 2HE2 GLN 6 4.193 9.343 -9.098
36 H ASN 7 H ASN 7 -1.217 6.953 -6.225
37 HA ASN 7 HA ASN 7 -3.703 7.999 -7.483
38 HB2 ASN 7 2HB ASN 7 -2.207 7.498 -9.365
39 HB3 ASN 7 1HB ASN 7 -2.001 5.850 -8.795
40 HD21 ASN 7 1HD2 ASN 7 -2.762 5.042 -10.761
41 HD22 ASN 7 2HD2 ASN 7 -4.430 5.083 -11.193
42 H CYS 8 H CYS 8 -5.154 7.283 -5.930
43 HA CYS 8 HA CYS 8 -4.828 4.499 -5.292
44 HB2 CYS 8 2HB CYS 8 -4.956 5.911 -3.254
45 HB3 CYS 8 1HB CYS 8 -6.531 6.479 -3.782
46 H GLN 9 H GLN 9 -5.883 3.175 -6.357
47 HA GLN 9 HA GLN 9 -8.089 3.628 -8.070
48 HB2 GLN 9 2HB GLN 9 -6.976 1.100 -6.903
49 HB3 GLN 9 1HB GLN 9 -8.028 1.133 -8.295
50 HG2 GLN 9 2HG GLN 9 -6.259 2.438 -9.513
51 HG3 GLN 9 1HG GLN 9 -5.260 2.298 -8.082
52 HE21 GLN 9 1HE2 GLN 9 -3.665 1.204 -9.209
53 HE22 GLN 9 2HE2 GLN 9 -3.878 -0.423 -9.704
54 H ARG 10 H ARG 10 -7.962 3.331 -4.742
55 HA ARG 10 HA ARG 10 -9.255 2.507 -3.022
56 HB2 ARG 10 2HB ARG 10 -11.430 3.630 -4.787
57 HB3 ARG 10 1HB ARG 10 -11.642 3.203 -3.106
58 HG2 ARG 10 2HG ARG 10 -9.991 4.931 -2.477
59 HG3 ARG 10 1HG ARG 10 -9.847 5.375 -4.182
60 HD2 ARG 10 2HD ARG 10 -11.365 6.880 -3.076
61 HD3 ARG 10 1HD ARG 10 -12.299 5.875 -4.169
62 HE ARG 10 HE ARG 10 -12.113 5.024 -1.391
63 HH11 ARG 10 1HH1 ARG 10 -14.096 6.547 -3.942
64 HH12 ARG 10 2HH1 ARG 10 -15.558 6.295 -3.133
65 HH21 ARG 10 1HH2 ARG 10 -14.161 4.794 -0.247
66 HH22 ARG 10 2HH2 ARG 10 -15.608 5.316 -0.938
67 HA PRO 11 HA PRO 11 -10.739 -1.349 -5.268
68 HB2 PRO 11 2HB PRO 11 -8.493 -2.699 -3.956
69 HB3 PRO 11 1HB PRO 11 -8.938 -2.721 -5.673
70 HG2 PRO 11 2HG PRO 11 -6.741 -1.456 -4.801
71 HG3 PRO 11 1HG PRO 11 -7.731 -0.811 -6.133
72 HD2 PRO 11 2HD PRO 11 -7.707 -0.057 -3.234
73 HD3 PRO 11 1HD PRO 11 -7.698 1.008 -4.658
74 H CYS 12 H CYS 12 -12.252 -2.413 -4.184
75 HA CYS 12 HA CYS 12 -11.988 -2.630 -1.293
76 HB2 CYS 12 2HB CYS 12 -14.476 -2.451 -3.001
77 HB3 CYS 12 1HB CYS 12 -14.449 -2.679 -1.251
78 HG CYS 12 HG CYS 12 -13.752 0.109 -3.076
79 H LYS 13 H LYS 13 -11.259 -4.577 -0.871
80 HA LYS 13 HA LYS 13 -12.809 -6.855 -1.706
81 HB2 LYS 13 2HB LYS 13 -9.805 -6.642 -2.002
82 HB3 LYS 13 1HB LYS 13 -10.667 -8.170 -2.052
83 HG2 LYS 13 2HG LYS 13 -11.906 -7.311 -4.035
84 HG3 LYS 13 1HG LYS 13 -10.902 -5.874 -3.985
85 HD2 LYS 13 2HD LYS 13 -8.899 -7.129 -4.340
86 HD3 LYS 13 1HD LYS 13 -9.757 -8.659 -4.193
87 HE2 LYS 13 2HE LYS 13 -9.316 -8.180 -6.541
88 HE3 LYS 13 1HE LYS 13 -11.048 -8.109 -6.205
89 HZ1 LYS 13 3HZ LYS 13 -10.874 -5.671 -6.153
90 HZ2 LYS 13 1HZ LYS 13 -10.372 -6.338 -7.628
91 HZ3 LYS 13 2HZ LYS 13 -9.220 -5.794 -6.527
92 H ASP 14 H ASP 14 -12.912 -8.347 -0.069
93 HA ASP 14 HA ASP 14 -12.087 -7.534 2.515
94 HB2 ASP 14 2HB ASP 14 -13.172 -10.112 1.469
95 HB3 ASP 14 1HB ASP 14 -12.782 -9.926 3.168
96 H LYS 15 H LYS 15 -10.943 -10.272 0.459
97 HA LYS 15 HA LYS 15 -8.660 -10.433 2.117
98 HB2 LYS 15 2HB LYS 15 -9.479 -11.831 -0.399
99 HB3 LYS 15 1HB LYS 15 -7.995 -12.176 0.464
100 HG2 LYS 15 2HG LYS 15 -9.343 -12.874 2.432
101 HG3 LYS 15 1HG LYS 15 -10.803 -12.539 1.503
102 HD2 LYS 15 2HD LYS 15 -10.191 -14.202 -0.166
103 HD3 LYS 15 1HD LYS 15 -8.661 -14.482 0.662
104 HE2 LYS 15 2HE LYS 15 -9.814 -15.353 2.602
105 HE3 LYS 15 1HE LYS 15 -11.374 -15.006 1.851
106 HZ1 LYS 15 3HZ LYS 15 -9.378 -16.906 0.713
107 HZ2 LYS 15 1HZ LYS 15 -10.954 -16.661 0.181
108 HZ3 LYS 15 2HZ LYS 15 -10.695 -17.360 1.668
109 H VAL 16 H VAL 16 -7.521 -8.562 1.891
110 HA VAL 16 HA VAL 16 -5.693 -8.532 -0.208
111 HB VAL 16 HB VAL 16 -7.390 -7.384 -1.512
112 HG11 VAL 16 1HG1 VAL 16 -7.479 -5.393 0.740
113 HG12 VAL 16 2HG1 VAL 16 -8.774 -6.517 0.271
114 HG13 VAL 16 3HG1 VAL 16 -8.294 -5.214 -0.818
115 HG21 VAL 16 3HG2 VAL 16 -5.068 -6.671 -1.772
116 HG22 VAL 16 1HG2 VAL 16 -5.307 -5.455 -0.525
117 HG23 VAL 16 2HG2 VAL 16 -6.152 -5.292 -2.066
118 H ASP 17 H ASP 17 -4.033 -8.230 0.809
119 HA ASP 17 HA ASP 17 -3.880 -6.776 3.256
120 HB2 ASP 17 2HB ASP 17 -1.692 -8.056 1.650
121 HB3 ASP 17 1HB ASP 17 -1.446 -7.330 3.237
122 H TRP 18 H TRP 18 -2.909 -4.968 3.806
123 HA TRP 18 HA TRP 18 -2.405 -2.956 1.716
124 HB2 TRP 18 2HB TRP 18 -3.270 -2.687 4.611
125 HB3 TRP 18 1HB TRP 18 -2.945 -1.337 3.509
126 HD1 TRP 18 HD TRP 18 -5.189 -4.503 3.017
127 HE1 TRP 18 1HE TRP 18 -7.518 -3.757 2.397
128 HE3 TRP 18 3HE TRP 18 -4.463 0.526 3.340
129 HZ2 TRP 18 2HZ TRP 18 -8.945 -1.278 2.104
130 HZ3 TRP 18 3HZ TRP 18 -6.354 2.033 2.894
131 HH2 TRP 18 HH TRP 18 -8.560 1.138 2.292
132 H VAL 19 H VAL 19 -0.577 -1.261 2.385
133 HA VAL 19 HA VAL 19 1.350 -2.549 4.108
134 HB VAL 19 HB VAL 19 3.132 -1.619 2.610
135 HG11 VAL 19 1HG1 VAL 19 1.291 -3.611 1.304
136 HG12 VAL 19 2HG1 VAL 19 2.551 -3.963 2.495
137 HG13 VAL 19 3HG1 VAL 19 2.985 -3.350 0.900
138 HG21 VAL 19 3HG2 VAL 19 0.828 -1.124 0.709
139 HG22 VAL 19 1HG2 VAL 19 2.531 -1.057 0.251
140 HG23 VAL 19 2HG2 VAL 19 1.911 0.084 1.419
141 H GLN 20 H GLN 20 2.327 -1.205 5.455
142 HA GLN 20 HA GLN 20 1.525 1.642 5.445
143 HB2 GLN 20 2HB GLN 20 0.933 0.293 7.512
144 HB3 GLN 20 1HB GLN 20 2.640 -0.005 7.744
145 HG2 GLN 20 2HG GLN 20 3.026 2.375 8.082
146 HG3 GLN 20 1HG GLN 20 1.334 2.715 7.782
147 HE21 GLN 20 1HE2 GLN 20 2.953 3.292 10.140
148 HE22 GLN 20 2HE2 GLN 20 2.142 2.532 11.442
149 H CYS 21 H CYS 21 3.108 3.254 5.391
150 HA CYS 21 HA CYS 21 5.801 2.278 4.743
151 HB2 CYS 21 2HB CYS 21 6.313 4.603 3.952
152 HB3 CYS 21 1HB CYS 21 4.860 3.976 3.183
153 H ASP 22 H ASP 22 7.260 2.022 6.180
154 HA ASP 22 HA ASP 22 7.085 3.265 8.804
155 HB2 ASP 22 2HB ASP 22 8.994 1.193 7.690
156 HB3 ASP 22 1HB ASP 22 9.027 1.796 9.330
157 H GLY 23 H GLY 23 7.762 4.895 6.482
158 HA2 GLY 23 2HA GLY 23 10.578 5.530 6.990
159 HA3 GLY 23 1HA GLY 23 9.627 6.107 5.608
160 H GLY 24 H GLY 24 7.363 6.628 7.703
161 HA2 GLY 24 2HA GLY 24 7.863 8.363 9.663
162 HA3 GLY 24 1HA GLY 24 8.293 9.320 8.271
163 H CYS 25 H CYS 25 5.850 7.761 6.886
164 HA CYS 25 HA CYS 25 3.988 9.913 7.654
165 HB2 CYS 25 2HB CYS 25 3.382 7.809 5.582
166 HB3 CYS 25 1HB CYS 25 2.701 9.414 5.718
167 H ASP 26 H ASP 26 4.385 6.484 8.002
168 HA ASP 26 HA ASP 26 3.225 4.801 8.969
169 HB2 ASP 26 2HB ASP 26 2.120 7.094 10.610
170 HB3 ASP 26 1HB ASP 26 1.835 5.423 10.981
171 H GLU 27 H GLU 27 1.947 6.254 6.657
172 HA GLU 27 HA GLU 27 -0.855 5.739 7.207
173 HB2 GLU 27 2HB GLU 27 0.472 6.944 4.786
174 HB3 GLU 27 1HB GLU 27 -1.264 6.717 4.924
175 HG2 GLU 27 2HG GLU 27 -1.126 8.135 7.025
176 HG3 GLU 27 1HG GLU 27 0.531 8.484 6.556
177 H TRP 28 H TRP 28 -2.097 4.731 5.520
178 HA TRP 28 HA TRP 28 -0.867 2.134 4.851
179 HB2 TRP 28 2HB TRP 28 -3.742 2.777 5.497
180 HB3 TRP 28 1HB TRP 28 -3.193 1.216 4.879
181 HD1 TRP 28 HD TRP 28 -2.852 3.447 8.025
182 HE1 TRP 28 1HE TRP 28 -2.156 1.952 9.981
183 HE3 TRP 28 3HE TRP 28 -2.173 -0.921 5.488
184 HZ2 TRP 28 2HZ TRP 28 -1.444 -0.776 10.414
185 HZ3 TRP 28 3HZ TRP 28 -1.496 -2.919 6.716
186 HH2 TRP 28 HH TRP 28 -1.133 -2.838 9.169
187 H PHE 29 H PHE 29 -0.679 1.502 2.902
188 HA PHE 29 HA PHE 29 -1.991 2.996 0.717
189 HB2 PHE 29 2HB PHE 29 0.701 1.560 0.630
190 HB3 PHE 29 1HB PHE 29 -0.005 2.613 -0.571
191 HD1 PHE 29 1HD PHE 29 1.133 2.684 2.966
192 HD2 PHE 29 2HD PHE 29 0.682 4.838 -0.648
193 HE1 PHE 29 1HE PHE 29 2.302 4.571 3.956
194 HE2 PHE 29 2HE PHE 29 1.842 6.761 0.354
195 HZ PHE 29 HZ PHE 29 2.654 6.612 2.695
196 H HIS 30 H HIS 30 -2.512 1.692 -1.099
197 HA HIS 30 HA HIS 30 -3.010 -1.179 -0.520
198 HB2 HIS 30 2HB HIS 30 -3.903 0.624 -2.728
199 HB3 HIS 30 1HB HIS 30 -4.142 -1.039 -2.986
200 HD2 HIS 30 2HD HIS 30 -6.144 -2.080 -1.025
201 HE1 HIS 30 1HE HIS 30 -7.900 1.766 -0.734
202 HE2 HIS 30 2HE HIS 30 -8.287 -0.719 -0.569
203 H GLN 31 H GLN 31 -1.917 -2.803 -1.553
204 HA GLN 31 HA GLN 31 0.531 -2.216 -2.626
205 HB2 GLN 31 2HB GLN 31 -1.115 -4.733 -2.824
206 HB3 GLN 31 1HB GLN 31 0.511 -4.619 -3.500
207 HG2 GLN 31 2HG GLN 31 1.409 -4.112 -1.323
208 HG3 GLN 31 1HG GLN 31 -0.200 -4.146 -0.621
209 HE21 GLN 31 1HE2 GLN 31 -1.145 -6.104 -0.234
210 HE22 GLN 31 2HE2 GLN 31 -0.282 -7.599 -0.356
211 H VAL 32 H VAL 32 -2.383 -3.058 -4.462
212 HA VAL 32 HA VAL 32 -1.136 -2.794 -6.980
213 HB VAL 32 HB VAL 32 -3.250 -4.040 -6.716
214 HG11 VAL 32 1HG1 VAL 32 -4.360 -1.344 -6.223
215 HG12 VAL 32 2HG1 VAL 32 -4.201 -2.616 -5.016
216 HG13 VAL 32 3HG1 VAL 32 -5.348 -2.810 -6.394
217 HG21 VAL 32 3HG2 VAL 32 -2.708 -3.110 -8.927
218 HG22 VAL 32 1HG2 VAL 32 -3.507 -1.625 -8.416
219 HG23 VAL 32 2HG2 VAL 32 -4.461 -3.100 -8.635
220 H CYS 33 H CYS 33 -2.726 -0.589 -4.982
221 HA CYS 33 HA CYS 33 -2.935 1.526 -6.989
222 HB2 CYS 33 2HB CYS 33 -4.172 2.856 -5.513
223 HB3 CYS 33 1HB CYS 33 -4.543 1.281 -4.955
224 H VAL 34 H VAL 34 -0.463 0.721 -4.598
225 HA VAL 34 HA VAL 34 0.909 3.095 -5.497
226 HB VAL 34 HB VAL 34 0.354 2.453 -2.954
227 HG11 VAL 34 1HG1 VAL 34 1.211 0.318 -2.902
228 HG12 VAL 34 2HG1 VAL 34 1.964 1.421 -1.752
229 HG13 VAL 34 3HG1 VAL 34 2.816 0.981 -3.232
230 HG21 VAL 34 3HG2 VAL 34 2.953 3.579 -3.865
231 HG22 VAL 34 1HG2 VAL 34 2.174 3.765 -2.258
232 HG23 VAL 34 2HG2 VAL 34 1.375 4.393 -3.721
233 H GLY 35 H GLY 35 0.608 0.279 -6.627
234 HA2 GLY 35 2HA GLY 35 1.916 -1.206 -7.936
235 HA3 GLY 35 1HA GLY 35 3.107 0.077 -7.926
236 H VAL 36 H VAL 36 2.080 -1.813 -5.078
237 HA VAL 36 HA VAL 36 4.772 -2.896 -4.736
238 HB VAL 36 HB VAL 36 2.260 -3.015 -3.048
239 HG11 VAL 36 1HG1 VAL 36 5.052 -3.934 -2.344
240 HG12 VAL 36 2HG1 VAL 36 3.632 -4.928 -2.615
241 HG13 VAL 36 3HG1 VAL 36 3.678 -3.845 -1.217
242 HG21 VAL 36 3HG2 VAL 36 3.134 -0.834 -3.205
243 HG22 VAL 36 1HG2 VAL 36 4.748 -1.366 -2.724
244 HG23 VAL 36 2HG2 VAL 36 3.394 -1.454 -1.582
245 H SER 37 H SER 37 5.084 -5.349 -4.807
246 HA SER 37 HA SER 37 2.837 -6.785 -5.867
247 HB2 SER 37 2HB SER 37 4.663 -8.490 -6.278
248 HB3 SER 37 1HB SER 37 4.948 -6.967 -7.107
249 HG SER 37 HG SER 37 6.732 -8.028 -5.796
250 HA PRO 38 HA PRO 38 1.866 -8.602 -1.960
251 HB2 PRO 38 2HB PRO 38 1.754 -11.306 -2.593
252 HB3 PRO 38 1HB PRO 38 0.450 -10.135 -2.837
253 HG2 PRO 38 2HG PRO 38 2.506 -11.079 -4.789
254 HG3 PRO 38 1HG PRO 38 0.758 -10.849 -5.041
255 HD2 PRO 38 2HD PRO 38 2.507 -9.071 -5.932
256 HD3 PRO 38 1HD PRO 38 1.005 -8.515 -5.164
257 H GLU 39 H GLU 39 4.623 -10.072 -3.703
258 HA GLU 39 HA GLU 39 5.768 -11.471 -1.573
259 HB2 GLU 39 2HB GLU 39 6.945 -10.274 -4.100
260 HB3 GLU 39 1HB GLU 39 7.645 -11.524 -3.084
261 HG2 GLU 39 2HG GLU 39 5.904 -13.074 -3.688
262 HG3 GLU 39 1HG GLU 39 5.038 -11.822 -4.565
263 H MET 40 H MET 40 5.833 -8.185 -2.704
264 HA MET 40 HA MET 40 8.298 -7.285 -1.546
265 HB2 MET 40 2HB MET 40 7.086 -6.204 -3.492
266 HB3 MET 40 1HB MET 40 5.852 -5.788 -2.368
267 HG2 MET 40 2HG MET 40 7.305 -4.249 -1.188
268 HG3 MET 40 1HG MET 40 8.652 -4.731 -2.233
269 HE1 MET 40 3HE MET 40 7.463 -1.662 -1.869
270 HE2 MET 40 1HE MET 40 7.526 -1.134 -3.549
271 HE3 MET 40 2HE MET 40 8.914 -1.988 -2.853
272 H ALA 41 H ALA 41 4.851 -7.095 -0.628
273 HA ALA 41 HA ALA 41 4.987 -5.422 1.537
274 HB1 ALA 41 1HB ALA 41 2.917 -6.147 0.464
275 HB2 ALA 41 2HB ALA 41 2.856 -6.417 2.195
276 HB3 ALA 41 3HB ALA 41 3.164 -7.771 1.107
277 H GLU 42 H GLU 42 5.462 -8.783 1.468
278 HA GLU 42 HA GLU 42 6.057 -8.749 4.351
279 HB2 GLU 42 2HB GLU 42 5.947 -11.195 2.603
280 HB3 GLU 42 1HB GLU 42 6.440 -11.220 4.281
281 HG2 GLU 42 2HG GLU 42 4.219 -10.241 4.888
282 HG3 GLU 42 1HG GLU 42 3.725 -10.473 3.205
283 H ASN 43 H ASN 43 7.981 -9.674 1.418
284 HA ASN 43 HA ASN 43 10.184 -10.281 2.967
285 HB2 ASN 43 2HB ASN 43 9.892 -9.739 0.028
286 HB3 ASN 43 1HB ASN 43 11.378 -10.294 0.792
287 HD21 ASN 43 1HD2 ASN 43 9.643 -11.552 -1.202
288 HD22 ASN 43 2HD2 ASN 43 9.204 -13.097 -0.519
289 H GLU 44 H GLU 44 9.285 -7.117 1.509
290 HA GLU 44 HA GLU 44 11.914 -6.210 2.447
291 HB2 GLU 44 2HB GLU 44 10.645 -5.329 -0.149
292 HB3 GLU 44 1HB GLU 44 12.185 -4.815 0.503
293 HG2 GLU 44 2HG GLU 44 13.014 -7.151 0.341
294 HG3 GLU 44 1HG GLU 44 11.467 -7.577 -0.416
295 H ASP 45 H ASP 45 12.077 -3.882 2.751
296 HA ASP 45 HA ASP 45 9.845 -2.989 4.312
297 HB2 ASP 45 2HB ASP 45 12.426 -1.567 3.644
298 HB3 ASP 45 1HB ASP 45 11.246 -1.030 4.837
299 H TYR 46 H TYR 46 8.199 -2.088 3.393
300 HA TYR 46 HA TYR 46 8.296 -0.705 0.942
301 HB2 TYR 46 2HB TYR 46 6.274 -1.809 1.483
302 HB3 TYR 46 1HB TYR 46 6.100 -0.934 3.001
303 HD1 TYR 46 1HD TYR 46 5.970 -0.576 -0.684
304 HD2 TYR 46 2HD TYR 46 5.109 1.212 3.079
305 HE1 TYR 46 1HE TYR 46 4.667 1.260 -1.805
306 HE2 TYR 46 2HE TYR 46 3.849 2.963 1.956
307 HH TYR 46 HH TYR 46 2.925 2.787 -1.191
308 H ILE 47 H ILE 47 9.014 1.085 0.619
309 HA ILE 47 HA ILE 47 8.723 3.341 2.539
310 HB ILE 47 HB ILE 47 10.706 3.146 0.225
311 HG12 ILE 47 2HG1 ILE 47 11.340 1.556 1.984
312 HG13 ILE 47 1HG1 ILE 47 12.473 2.905 1.953
313 HG21 ILE 47 1HG2 ILE 47 11.763 5.131 1.241
314 HG22 ILE 47 2HG2 ILE 47 10.447 5.162 2.437
315 HG23 ILE 47 3HG2 ILE 47 10.093 5.415 0.729
316 HD11 ILE 47 3HD1 ILE 47 11.952 2.260 4.228
317 HD12 ILE 47 1HD1 ILE 47 10.229 2.517 3.934
318 HD13 ILE 47 2HD1 ILE 47 11.346 3.883 3.894
319 H CYS 48 H CYS 48 7.602 5.333 1.699
320 HA CYS 48 HA CYS 48 6.090 4.666 -0.707
321 HB2 CYS 48 2HB CYS 48 4.409 6.104 0.082
322 HB3 CYS 48 1HB CYS 48 4.979 5.347 1.553
323 H ILE 49 H ILE 49 5.413 6.809 -1.797
324 HA ILE 49 HA ILE 49 7.558 7.939 -3.141
325 HB ILE 49 HB ILE 49 5.328 7.867 -4.092
326 HG12 ILE 49 2HG1 ILE 49 6.159 10.716 -3.740
327 HG13 ILE 49 1HG1 ILE 49 6.977 9.583 -4.818
328 HG21 ILE 49 1HG2 ILE 49 3.977 8.247 -2.108
329 HG22 ILE 49 2HG2 ILE 49 3.546 9.363 -3.396
330 HG23 ILE 49 3HG2 ILE 49 4.534 9.920 -2.042
331 HD11 ILE 49 3HD1 ILE 49 4.091 10.401 -5.025
332 HD12 ILE 49 1HD1 ILE 49 4.954 9.282 -6.066
333 HD13 ILE 49 2HD1 ILE 49 5.410 10.991 -6.060
334 H ASN 50 H ASN 50 5.895 9.188 -0.266
335 HA ASN 50 HA ASN 50 7.378 11.682 -0.328
336 HB2 ASN 50 2HB ASN 50 5.485 10.567 1.737
337 HB3 ASN 50 1HB ASN 50 6.219 12.168 1.841
338 HD21 ASN 50 1HD2 ASN 50 5.528 13.789 0.467
339 HD22 ASN 50 2HD2 ASN 50 4.078 13.645 -0.443
340 H CYS 51 H CYS 51 7.568 8.628 1.192
341 HA CYS 51 HA CYS 51 9.550 9.454 3.106
342 HB2 CYS 51 2HB CYS 51 8.577 6.734 2.257
343 HB3 CYS 51 1HB CYS 51 9.941 6.942 3.345
344 H ALA 52 H ALA 52 9.539 8.456 -0.149
345 HA ALA 52 HA ALA 52 12.378 7.793 -0.165
346 HB1 ALA 52 3HB ALA 52 12.052 7.180 -2.507
347 HB2 ALA 52 1HB ALA 52 10.380 7.737 -2.429
348 HB3 ALA 52 2HB ALA 52 10.885 6.363 -1.443
Start of MODEL 10
1 HA SER 1 HA SER 1 -12.745 6.942 2.749
2 HB2 SER 1 2HB SER 1 -11.344 4.616 4.107
3 HB3 SER 1 1HB SER 1 -10.857 6.308 4.230
4 HG SER 1 HG SER 1 -13.055 4.960 5.289
5 H VAL 2 H VAL 2 -10.468 7.542 2.120
6 HA VAL 2 HA VAL 2 -9.570 5.929 -0.150
7 HB VAL 2 HB VAL 2 -9.206 8.924 0.306
8 HG11 VAL 2 1HG1 VAL 2 -7.367 7.964 -0.968
9 HG12 VAL 2 2HG1 VAL 2 -8.371 8.971 -2.026
10 HG13 VAL 2 3HG1 VAL 2 -8.500 7.221 -2.091
11 HG21 VAL 2 3HG2 VAL 2 -11.517 8.378 -0.210
12 HG22 VAL 2 1HG2 VAL 2 -11.014 7.525 -1.667
13 HG23 VAL 2 2HG2 VAL 2 -10.782 9.280 -1.531
14 H CYS 3 H CYS 3 -7.419 5.315 -0.144
15 HA CYS 3 HA CYS 3 -6.133 5.677 2.420
16 HB2 CYS 3 2HB CYS 3 -5.007 3.713 1.978
17 HB3 CYS 3 1HB CYS 3 -6.341 3.472 0.867
18 H ALA 4 H ALA 4 -3.517 5.636 1.845
19 HA ALA 4 HA ALA 4 -3.077 8.228 0.563
20 HB1 ALA 4 1HB ALA 4 -0.778 8.023 1.590
21 HB2 ALA 4 2HB ALA 4 -1.256 6.463 2.255
22 HB3 ALA 4 3HB ALA 4 -2.065 7.918 2.785
23 H ALA 5 H ALA 5 -2.644 8.094 -1.583
24 HA ALA 5 HA ALA 5 -0.383 6.708 -2.572
25 HB1 ALA 5 1HB ALA 5 -1.478 5.152 -4.163
26 HB2 ALA 5 2HB ALA 5 -3.042 5.660 -3.613
27 HB3 ALA 5 3HB ALA 5 -1.991 4.784 -2.526
28 H GLN 6 H GLN 6 0.341 7.738 -4.419
29 HA GLN 6 HA GLN 6 -0.453 10.062 -5.453
30 HB2 GLN 6 2HB GLN 6 0.555 7.701 -7.095
31 HB3 GLN 6 1HB GLN 6 0.715 9.402 -7.507
32 HG2 GLN 6 2HG GLN 6 2.288 9.719 -5.753
33 HG3 GLN 6 1HG GLN 6 1.946 8.132 -5.075
34 HE21 GLN 6 1HE2 GLN 6 2.759 6.270 -6.123
35 HE22 GLN 6 2HE2 GLN 6 4.019 6.410 -7.301
36 H ASN 7 H ASN 7 -1.426 7.008 -6.529
37 HA ASN 7 HA ASN 7 -3.986 8.063 -7.587
38 HB2 ASN 7 2HB ASN 7 -2.287 6.028 -9.057
39 HB3 ASN 7 1HB ASN 7 -3.941 6.384 -9.485
40 HD21 ASN 7 1HD2 ASN 7 -1.511 6.645 -11.085
41 HD22 ASN 7 2HD2 ASN 7 -1.439 8.300 -11.549
42 H CYS 8 H CYS 8 -5.232 7.280 -5.874
43 HA CYS 8 HA CYS 8 -4.890 4.496 -5.359
44 HB2 CYS 8 2HB CYS 8 -5.057 5.905 -3.353
45 HB3 CYS 8 1HB CYS 8 -6.651 6.457 -3.870
46 H GLN 9 H GLN 9 -5.955 3.144 -6.437
47 HA GLN 9 HA GLN 9 -8.214 3.641 -8.103
48 HB2 GLN 9 2HB GLN 9 -7.055 1.052 -7.091
49 HB3 GLN 9 1HB GLN 9 -8.147 1.195 -8.453
50 HG2 GLN 9 2HG GLN 9 -6.411 2.530 -9.644
51 HG3 GLN 9 1HG GLN 9 -5.364 2.287 -8.247
52 HE21 GLN 9 1HE2 GLN 9 -3.818 1.241 -9.509
53 HE22 GLN 9 2HE2 GLN 9 -4.076 -0.367 -10.082
54 H ARG 10 H ARG 10 -7.899 3.278 -4.859
55 HA ARG 10 HA ARG 10 -9.071 2.589 -3.047
56 HB2 ARG 10 2HB ARG 10 -10.227 4.663 -3.854
57 HB3 ARG 10 1HB ARG 10 -11.408 3.664 -4.670
58 HG2 ARG 10 2HG ARG 10 -12.091 2.722 -2.489
59 HG3 ARG 10 1HG ARG 10 -10.931 3.785 -1.686
60 HD2 ARG 10 2HD ARG 10 -12.150 5.735 -2.636
61 HD3 ARG 10 1HD ARG 10 -13.323 4.611 -3.334
62 HE ARG 10 HE ARG 10 -12.881 4.385 -0.492
63 HH11 ARG 10 1HH1 ARG 10 -14.930 5.877 -3.020
64 HH12 ARG 10 2HH1 ARG 10 -16.252 6.111 -2.008
65 HH21 ARG 10 1HH2 ARG 10 -14.753 4.757 0.931
66 HH22 ARG 10 2HH2 ARG 10 -16.149 5.477 0.285
67 HA PRO 11 HA PRO 11 -10.837 -1.330 -5.083
68 HB2 PRO 11 2HB PRO 11 -8.502 -2.713 -3.923
69 HB3 PRO 11 1HB PRO 11 -9.115 -2.778 -5.590
70 HG2 PRO 11 2HG PRO 11 -6.810 -1.527 -4.974
71 HG3 PRO 11 1HG PRO 11 -7.879 -0.893 -6.231
72 HD2 PRO 11 2HD PRO 11 -7.588 -0.050 -3.374
73 HD3 PRO 11 1HD PRO 11 -7.691 0.962 -4.826
74 H CYS 12 H CYS 12 -12.251 -2.406 -3.841
75 HA CYS 12 HA CYS 12 -11.784 -2.529 -0.960
76 HB2 CYS 12 2HB CYS 12 -13.521 -0.900 -1.457
77 HB3 CYS 12 1HB CYS 12 -14.380 -2.083 -2.443
78 HG CYS 12 HG CYS 12 -15.936 -2.661 -0.515
79 H LYS 13 H LYS 13 -11.237 -4.586 -0.565
80 HA LYS 13 HA LYS 13 -13.151 -6.674 -1.154
81 HB2 LYS 13 2HB LYS 13 -10.201 -6.975 -1.847
82 HB3 LYS 13 1HB LYS 13 -11.412 -8.240 -1.910
83 HG2 LYS 13 2HG LYS 13 -12.543 -6.994 -3.748
84 HG3 LYS 13 1HG LYS 13 -11.237 -5.820 -3.703
85 HD2 LYS 13 2HD LYS 13 -9.609 -7.665 -4.158
86 HD3 LYS 13 1HD LYS 13 -10.967 -8.769 -4.279
87 HE2 LYS 13 2HE LYS 13 -11.867 -7.389 -6.159
88 HE3 LYS 13 1HE LYS 13 -10.429 -6.385 -6.042
89 HZ1 LYS 13 3HZ LYS 13 -10.480 -9.274 -6.675
90 HZ2 LYS 13 1HZ LYS 13 -9.058 -8.369 -6.582
91 HZ3 LYS 13 2HZ LYS 13 -10.197 -8.077 -7.795
92 H ASP 14 H ASP 14 -12.674 -8.494 0.243
93 HA ASP 14 HA ASP 14 -11.386 -7.657 2.671
94 HB2 ASP 14 2HB ASP 14 -12.848 -10.184 1.934
95 HB3 ASP 14 1HB ASP 14 -12.101 -9.946 3.520
96 H LYS 15 H LYS 15 -10.870 -10.572 0.495
97 HA LYS 15 HA LYS 15 -8.315 -10.981 1.410
98 HB2 LYS 15 2HB LYS 15 -9.534 -11.691 -1.296
99 HB3 LYS 15 1HB LYS 15 -8.023 -12.294 -0.665
100 HG2 LYS 15 2HG LYS 15 -9.239 -13.475 1.101
101 HG3 LYS 15 1HG LYS 15 -10.764 -12.819 0.471
102 HD2 LYS 15 2HD LYS 15 -10.347 -13.954 -1.686
103 HD3 LYS 15 1HD LYS 15 -8.842 -14.599 -1.039
104 HE2 LYS 15 2HE LYS 15 -10.069 -15.905 0.599
105 HE3 LYS 15 1HE LYS 15 -11.600 -15.192 0.055
106 HZ1 LYS 15 3HZ LYS 15 -9.778 -16.874 -1.606
107 HZ2 LYS 15 1HZ LYS 15 -11.247 -16.268 -2.114
108 HZ3 LYS 15 2HZ LYS 15 -11.188 -17.450 -0.924
109 H VAL 16 H VAL 16 -7.413 -8.805 1.456
110 HA VAL 16 HA VAL 16 -5.600 -8.407 -0.630
111 HB VAL 16 HB VAL 16 -7.446 -7.331 -1.854
112 HG11 VAL 16 1HG1 VAL 16 -8.841 -6.664 0.014
113 HG12 VAL 16 2HG1 VAL 16 -8.497 -5.253 -1.007
114 HG13 VAL 16 3HG1 VAL 16 -7.586 -5.534 0.504
115 HG21 VAL 16 3HG2 VAL 16 -6.390 -5.164 -2.330
116 HG22 VAL 16 1HG2 VAL 16 -5.178 -6.434 -2.146
117 HG23 VAL 16 2HG2 VAL 16 -5.466 -5.300 -0.831
118 H ASP 17 H ASP 17 -4.075 -8.288 0.709
119 HA ASP 17 HA ASP 17 -4.057 -6.746 3.081
120 HB2 ASP 17 2HB ASP 17 -1.743 -8.073 1.666
121 HB3 ASP 17 1HB ASP 17 -1.635 -7.307 3.255
122 H TRP 18 H TRP 18 -2.783 -5.049 3.709
123 HA TRP 18 HA TRP 18 -2.391 -2.991 1.644
124 HB2 TRP 18 2HB TRP 18 -3.191 -2.726 4.551
125 HB3 TRP 18 1HB TRP 18 -2.902 -1.385 3.468
126 HD1 TRP 18 HD TRP 18 -5.136 -4.535 2.938
127 HE1 TRP 18 1HE TRP 18 -7.465 -3.766 2.324
128 HE3 TRP 18 3HE TRP 18 -4.360 0.477 3.327
129 HZ2 TRP 18 2HZ TRP 18 -8.879 -1.250 2.092
130 HZ3 TRP 18 3HZ TRP 18 -6.235 2.008 2.914
131 HH2 TRP 18 HH TRP 18 -8.454 1.163 2.310
132 H VAL 19 H VAL 19 -0.588 -1.263 2.297
133 HA VAL 19 HA VAL 19 1.373 -2.515 3.959
134 HB VAL 19 HB VAL 19 3.098 -1.465 2.447
135 HG11 VAL 19 1HG1 VAL 19 3.045 -3.096 0.712
136 HG12 VAL 19 2HG1 VAL 19 1.359 -3.516 1.113
137 HG13 VAL 19 3HG1 VAL 19 2.667 -3.834 2.275
138 HG21 VAL 19 3HG2 VAL 19 0.770 -1.100 0.566
139 HG22 VAL 19 1HG2 VAL 19 2.479 -0.856 0.167
140 HG23 VAL 19 2HG2 VAL 19 1.709 0.176 1.361
141 H GLN 20 H GLN 20 2.256 -1.169 5.354
142 HA GLN 20 HA GLN 20 1.430 1.667 5.390
143 HB2 GLN 20 2HB GLN 20 0.907 0.347 7.421
144 HB3 GLN 20 1HB GLN 20 2.592 -0.069 7.605
145 HG2 GLN 20 2HG GLN 20 3.141 2.277 7.993
146 HG3 GLN 20 1HG GLN 20 1.455 2.719 7.768
147 HE21 GLN 20 1HE2 GLN 20 3.213 3.092 10.080
148 HE22 GLN 20 2HE2 GLN 20 2.433 2.316 11.386
149 H CYS 21 H CYS 21 2.992 3.298 5.282
150 HA CYS 21 HA CYS 21 5.635 2.269 4.624
151 HB2 CYS 21 2HB CYS 21 6.206 4.504 3.638
152 HB3 CYS 21 1HB CYS 21 4.672 3.904 3.042
153 H ASP 22 H ASP 22 6.834 1.878 6.154
154 HA ASP 22 HA ASP 22 6.712 3.268 8.722
155 HB2 ASP 22 2HB ASP 22 8.380 0.915 7.794
156 HB3 ASP 22 1HB ASP 22 8.470 1.590 9.405
157 H GLY 23 H GLY 23 7.787 4.556 6.249
158 HA2 GLY 23 2HA GLY 23 10.595 4.981 6.946
159 HA3 GLY 23 1HA GLY 23 9.807 5.526 5.475
160 H GLY 24 H GLY 24 7.551 6.367 7.699
161 HA2 GLY 24 2HA GLY 24 8.347 8.288 9.329
162 HA3 GLY 24 1HA GLY 24 8.641 9.049 7.769
163 H CYS 25 H CYS 25 6.044 7.623 6.730
164 HA CYS 25 HA CYS 25 4.366 9.860 7.626
165 HB2 CYS 25 2HB CYS 25 3.559 7.829 5.549
166 HB3 CYS 25 1HB CYS 25 2.938 9.458 5.777
167 H ASP 26 H ASP 26 4.688 6.438 7.844
168 HA ASP 26 HA ASP 26 3.532 4.719 8.739
169 HB2 ASP 26 2HB ASP 26 2.585 6.889 10.665
170 HB3 ASP 26 1HB ASP 26 2.378 5.178 10.912
171 H GLU 27 H GLU 27 2.246 6.145 6.586
172 HA GLU 27 HA GLU 27 -0.571 5.780 7.203
173 HB2 GLU 27 2HB GLU 27 0.760 7.071 4.849
174 HB3 GLU 27 1HB GLU 27 -0.973 6.829 4.928
175 HG2 GLU 27 2HG GLU 27 -0.861 8.143 7.132
176 HG3 GLU 27 1HG GLU 27 0.774 8.568 6.654
177 H TRP 28 H TRP 28 -1.906 4.927 5.394
178 HA TRP 28 HA TRP 28 -0.793 2.273 4.737
179 HB2 TRP 28 2HB TRP 28 -3.631 3.047 5.398
180 HB3 TRP 28 1HB TRP 28 -3.161 1.459 4.799
181 HD1 TRP 28 HD TRP 28 -2.646 3.723 7.883
182 HE1 TRP 28 1HE TRP 28 -2.039 2.214 9.867
183 HE3 TRP 28 3HE TRP 28 -2.319 -0.754 5.436
184 HZ2 TRP 28 2HZ TRP 28 -1.515 -0.515 10.351
185 HZ3 TRP 28 3HZ TRP 28 -1.777 -2.765 6.727
186 HH2 TRP 28 HH TRP 28 -1.363 -2.647 9.143
187 H PHE 29 H PHE 29 -0.685 1.577 2.786
188 HA PHE 29 HA PHE 29 -2.026 3.035 0.572
189 HB2 PHE 29 2HB PHE 29 0.657 1.607 0.493
190 HB3 PHE 29 1HB PHE 29 -0.066 2.606 -0.751
191 HD1 PHE 29 1HD PHE 29 1.097 2.817 2.774
192 HD2 PHE 29 2HD PHE 29 0.704 4.842 -0.946
193 HE1 PHE 29 1HE PHE 29 2.303 4.713 3.677
194 HE2 PHE 29 2HE PHE 29 1.916 6.759 -0.023
195 HZ PHE 29 HZ PHE 29 2.717 6.680 2.326
196 H HIS 30 H HIS 30 -2.551 1.685 -1.203
197 HA HIS 30 HA HIS 30 -3.056 -1.175 -0.578
198 HB2 HIS 30 2HB HIS 30 -3.974 0.594 -2.815
199 HB3 HIS 30 1HB HIS 30 -4.229 -1.088 -2.993
200 HD2 HIS 30 2HD HIS 30 -6.169 -2.061 -0.998
201 HE1 HIS 30 1HE HIS 30 -7.934 1.780 -0.759
202 HE2 HIS 30 2HE HIS 30 -8.317 -0.709 -0.600
203 H GLN 31 H GLN 31 -2.093 -2.779 -1.673
204 HA GLN 31 HA GLN 31 0.403 -2.269 -2.760
205 HB2 GLN 31 2HB GLN 31 -1.199 -4.817 -2.972
206 HB3 GLN 31 1HB GLN 31 0.438 -4.616 -3.586
207 HG2 GLN 31 2HG GLN 31 1.278 -4.149 -1.409
208 HG3 GLN 31 1HG GLN 31 -0.329 -4.183 -0.713
209 HE21 GLN 31 1HE2 GLN 31 -1.296 -6.135 -0.381
210 HE22 GLN 31 2HE2 GLN 31 -0.486 -7.645 -0.485
211 H VAL 32 H VAL 32 -2.609 -2.902 -4.572
212 HA VAL 32 HA VAL 32 -1.176 -2.764 -7.044
213 HB VAL 32 HB VAL 32 -3.282 -4.028 -6.921
214 HG11 VAL 32 1HG1 VAL 32 -5.427 -2.795 -6.755
215 HG12 VAL 32 2HG1 VAL 32 -4.438 -1.331 -6.509
216 HG13 VAL 32 3HG1 VAL 32 -4.393 -2.619 -5.301
217 HG21 VAL 32 3HG2 VAL 32 -4.398 -3.062 -8.928
218 HG22 VAL 32 1HG2 VAL 32 -2.619 -3.133 -9.077
219 HG23 VAL 32 2HG2 VAL 32 -3.416 -1.615 -8.631
220 H CYS 33 H CYS 33 -2.934 -0.571 -5.124
221 HA CYS 33 HA CYS 33 -3.140 1.521 -7.103
222 HB2 CYS 33 2HB CYS 33 -4.410 2.769 -5.598
223 HB3 CYS 33 1HB CYS 33 -4.665 1.186 -5.031
224 H VAL 34 H VAL 34 -0.698 0.921 -4.531
225 HA VAL 34 HA VAL 34 0.618 3.282 -5.508
226 HB VAL 34 HB VAL 34 0.124 2.621 -2.965
227 HG11 VAL 34 1HG1 VAL 34 2.629 1.198 -3.335
228 HG12 VAL 34 2HG1 VAL 34 1.076 0.478 -3.003
229 HG13 VAL 34 3HG1 VAL 34 1.834 1.555 -1.807
230 HG21 VAL 34 3HG2 VAL 34 1.120 4.632 -3.670
231 HG22 VAL 34 1HG2 VAL 34 2.652 3.803 -3.978
232 HG23 VAL 34 2HG2 VAL 34 2.055 3.933 -2.315
233 H GLY 35 H GLY 35 0.427 0.491 -6.654
234 HA2 GLY 35 2HA GLY 35 1.755 -1.122 -7.717
235 HA3 GLY 35 1HA GLY 35 2.888 0.195 -7.901
236 H VAL 36 H VAL 36 1.889 -2.210 -5.361
237 HA VAL 36 HA VAL 36 4.691 -2.694 -4.762
238 HB VAL 36 HB VAL 36 2.171 -2.933 -3.075
239 HG11 VAL 36 1HG1 VAL 36 3.635 -3.681 -1.177
240 HG12 VAL 36 2HG1 VAL 36 4.982 -3.848 -2.337
241 HG13 VAL 36 3HG1 VAL 36 3.518 -4.779 -2.524
242 HG21 VAL 36 3HG2 VAL 36 2.936 -0.682 -3.198
243 HG22 VAL 36 1HG2 VAL 36 4.573 -1.161 -2.755
244 HG23 VAL 36 2HG2 VAL 36 3.246 -1.304 -1.597
245 H SER 37 H SER 37 5.237 -5.169 -4.648
246 HA SER 37 HA SER 37 3.250 -6.675 -5.990
247 HB2 SER 37 2HB SER 37 5.204 -8.251 -6.087
248 HB3 SER 37 1HB SER 37 5.486 -6.719 -6.934
249 HG SER 37 HG SER 37 7.273 -7.203 -5.643
250 HA PRO 38 HA PRO 38 1.845 -8.514 -2.206
251 HB2 PRO 38 2HB PRO 38 1.850 -11.212 -2.917
252 HB3 PRO 38 1HB PRO 38 0.562 -10.075 -3.317
253 HG2 PRO 38 2HG PRO 38 2.893 -10.961 -4.965
254 HG3 PRO 38 1HG PRO 38 1.197 -10.776 -5.470
255 HD2 PRO 38 2HD PRO 38 2.986 -8.936 -6.114
256 HD3 PRO 38 1HD PRO 38 1.396 -8.417 -5.548
257 H GLU 39 H GLU 39 4.729 -9.694 -3.672
258 HA GLU 39 HA GLU 39 5.636 -11.301 -1.487
259 HB2 GLU 39 2HB GLU 39 6.248 -11.817 -3.775
260 HB3 GLU 39 1HB GLU 39 7.045 -10.261 -3.931
261 HG2 GLU 39 2HG GLU 39 8.695 -10.905 -2.302
262 HG3 GLU 39 1HG GLU 39 7.879 -12.452 -2.060
263 H MET 40 H MET 40 5.916 -7.931 -2.404
264 HA MET 40 HA MET 40 8.303 -7.474 -0.908
265 HB2 MET 40 2HB MET 40 7.432 -5.907 -2.891
266 HB3 MET 40 1HB MET 40 6.282 -5.440 -1.709
267 HG2 MET 40 2HG MET 40 7.611 -4.271 -0.417
268 HG3 MET 40 1HG MET 40 9.071 -5.187 -0.793
269 HE1 MET 40 3HE MET 40 6.609 -3.456 -3.436
270 HE2 MET 40 1HE MET 40 7.329 -1.856 -3.533
271 HE3 MET 40 2HE MET 40 6.568 -2.368 -2.021
272 H ALA 41 H ALA 41 4.902 -7.182 -0.415
273 HA ALA 41 HA ALA 41 4.832 -5.696 1.867
274 HB1 ALA 41 1HB ALA 41 2.893 -6.113 0.474
275 HB2 ALA 41 2HB ALA 41 2.519 -6.585 2.137
276 HB3 ALA 41 3HB ALA 41 2.883 -7.810 0.937
277 H GLU 42 H GLU 42 5.487 -9.096 1.545
278 HA GLU 42 HA GLU 42 5.394 -9.503 4.476
279 HB2 GLU 42 2HB GLU 42 5.795 -11.638 2.345
280 HB3 GLU 42 1HB GLU 42 5.806 -11.915 4.075
281 HG2 GLU 42 2HG GLU 42 3.454 -11.033 4.121
282 HG3 GLU 42 1HG GLU 42 3.530 -11.082 2.354
283 H ASN 43 H ASN 43 7.751 -8.681 2.253
284 HA ASN 43 HA ASN 43 9.747 -9.940 3.967
285 HB2 ASN 43 2HB ASN 43 9.780 -9.606 1.017
286 HB3 ASN 43 1HB ASN 43 11.230 -9.961 1.947
287 HD21 ASN 43 1HD2 ASN 43 9.898 -11.572 -0.080
288 HD22 ASN 43 2HD2 ASN 43 9.465 -13.066 0.684
289 H GLU 44 H GLU 44 9.029 -6.856 2.296
290 HA GLU 44 HA GLU 44 11.433 -5.823 3.600
291 HB2 GLU 44 2HB GLU 44 10.654 -5.201 0.725
292 HB3 GLU 44 1HB GLU 44 12.029 -4.523 1.574
293 HG2 GLU 44 2HG GLU 44 12.938 -6.843 1.818
294 HG3 GLU 44 1HG GLU 44 11.611 -7.404 0.815
295 H ASP 45 H ASP 45 11.382 -3.498 4.001
296 HA ASP 45 HA ASP 45 8.838 -2.688 4.956
297 HB2 ASP 45 2HB ASP 45 11.383 -1.047 4.745
298 HB3 ASP 45 1HB ASP 45 9.958 -0.668 5.696
299 H TYR 46 H TYR 46 7.356 -1.585 3.890
300 HA TYR 46 HA TYR 46 7.980 -0.532 1.320
301 HB2 TYR 46 2HB TYR 46 5.721 -1.490 1.634
302 HB3 TYR 46 1HB TYR 46 5.351 -0.197 2.770
303 HD1 TYR 46 2HD TYR 46 6.766 -0.466 -0.653
304 HD2 TYR 46 1HD TYR 46 4.120 1.561 1.959
305 HE1 TYR 46 2HE TYR 46 6.159 1.062 -2.487
306 HE2 TYR 46 1HE TYR 46 3.483 3.121 0.087
307 HH TYR 46 HH TYR 46 4.357 2.515 -3.127
308 H ILE 47 H ILE 47 8.989 1.049 1.019
309 HA ILE 47 HA ILE 47 8.747 3.547 2.577
310 HB ILE 47 HB ILE 47 10.618 2.958 0.232
311 HG12 ILE 47 2HG1 ILE 47 11.132 1.494 2.159
312 HG13 ILE 47 1HG1 ILE 47 12.398 2.686 1.903
313 HG21 ILE 47 1HG2 ILE 47 10.586 5.188 2.220
314 HG22 ILE 47 2HG2 ILE 47 10.265 5.344 0.474
315 HG23 ILE 47 3HG2 ILE 47 11.878 4.941 1.047
316 HD11 ILE 47 3HD1 ILE 47 11.940 2.403 4.286
317 HD12 ILE 47 1HD1 ILE 47 10.234 2.740 4.007
318 HD13 ILE 47 2HD1 ILE 47 11.411 4.012 3.767
319 H CYS 48 H CYS 48 7.610 5.501 1.579
320 HA CYS 48 HA CYS 48 6.202 4.720 -0.842
321 HB2 CYS 48 2HB CYS 48 4.522 6.235 -0.188
322 HB3 CYS 48 1HB CYS 48 4.978 5.414 1.303
323 H ILE 49 H ILE 49 5.601 6.888 -2.001
324 HA ILE 49 HA ILE 49 7.803 8.041 -3.242
325 HB ILE 49 HB ILE 49 5.661 8.070 -4.312
326 HG12 ILE 49 2HG1 ILE 49 6.470 10.874 -3.633
327 HG13 ILE 49 1HG1 ILE 49 7.266 9.846 -4.819
328 HG21 ILE 49 1HG2 ILE 49 4.723 9.900 -2.090
329 HG22 ILE 49 2HG2 ILE 49 4.183 8.258 -2.381
330 HG23 ILE 49 3HG2 ILE 49 3.806 9.529 -3.534
331 HD11 ILE 49 3HD1 ILE 49 5.260 9.762 -6.114
332 HD12 ILE 49 1HD1 ILE 49 5.715 11.453 -5.878
333 HD13 ILE 49 2HD1 ILE 49 4.400 10.723 -4.929
334 H ASN 50 H ASN 50 5.969 9.297 -0.469
335 HA ASN 50 HA ASN 50 7.472 11.754 -0.353
336 HB2 ASN 50 2HB ASN 50 5.562 10.564 1.685
337 HB3 ASN 50 1HB ASN 50 6.228 12.182 1.744
338 HD21 ASN 50 1HD2 ASN 50 5.483 13.742 0.328
339 HD22 ASN 50 2HD2 ASN 50 4.036 13.512 -0.593
340 H CYS 51 H CYS 51 7.677 8.628 1.075
341 HA CYS 51 HA CYS 51 9.559 9.414 3.118
342 HB2 CYS 51 2HB CYS 51 8.707 6.699 2.116
343 HB3 CYS 51 1HB CYS 51 10.023 6.891 3.239
344 H ALA 52 H ALA 52 9.750 8.492 -0.169
345 HA ALA 52 HA ALA 52 12.562 7.796 -0.003
346 HB1 ALA 52 3HB ALA 52 11.177 6.530 -1.508
347 HB2 ALA 52 1HB ALA 52 12.421 7.372 -2.433
348 HB3 ALA 52 2HB ALA 52 10.769 7.980 -2.432
Start of MODEL 11
1 HA SER 1 HA SER 1 -12.464 5.545 3.923
2 HB2 SER 1 2HB SER 1 -14.322 7.294 3.985
3 HB3 SER 1 1HB SER 1 -13.804 7.838 2.397
4 HG SER 1 HG SER 1 -15.414 5.851 3.072
5 H VAL 2 H VAL 2 -10.243 7.503 2.714
6 HA VAL 2 HA VAL 2 -9.788 5.918 0.284
7 HB VAL 2 HB VAL 2 -9.133 8.883 0.591
8 HG11 VAL 2 1HG1 VAL 2 -7.599 7.704 -0.876
9 HG12 VAL 2 2HG1 VAL 2 -8.607 8.823 -1.788
10 HG13 VAL 2 3HG1 VAL 2 -8.949 7.094 -1.838
11 HG21 VAL 2 3HG2 VAL 2 -11.320 7.628 -1.057
12 HG22 VAL 2 1HG2 VAL 2 -10.893 9.342 -1.088
13 HG23 VAL 2 2HG2 VAL 2 -11.570 8.630 0.382
14 H CYS 3 H CYS 3 -7.564 5.238 0.129
15 HA CYS 3 HA CYS 3 -6.087 5.577 2.586
16 HB2 CYS 3 2HB CYS 3 -4.964 3.653 1.976
17 HB3 CYS 3 1HB CYS 3 -6.368 3.433 0.924
18 H ALA 4 H ALA 4 -3.486 5.574 1.817
19 HA ALA 4 HA ALA 4 -3.128 8.182 0.526
20 HB1 ALA 4 1HB ALA 4 -0.845 8.071 1.482
21 HB2 ALA 4 2HB ALA 4 -1.221 6.493 2.160
22 HB3 ALA 4 3HB ALA 4 -2.077 7.925 2.738
23 H ALA 5 H ALA 5 -2.611 8.065 -1.619
24 HA ALA 5 HA ALA 5 -0.297 6.667 -2.475
25 HB1 ALA 5 1HB ALA 5 -1.323 5.199 -4.208
26 HB2 ALA 5 2HB ALA 5 -2.910 5.715 -3.716
27 HB3 ALA 5 3HB ALA 5 -1.937 4.744 -2.624
28 H GLN 6 H GLN 6 0.609 7.775 -4.249
29 HA GLN 6 HA GLN 6 -0.164 10.081 -5.293
30 HB2 GLN 6 2HB GLN 6 1.972 8.798 -5.686
31 HB3 GLN 6 1HB GLN 6 1.120 7.805 -6.851
32 HG2 GLN 6 2HG GLN 6 0.731 9.933 -8.182
33 HG3 GLN 6 1HG GLN 6 1.782 10.734 -7.041
34 HE21 GLN 6 1HE2 GLN 6 1.613 8.404 -9.606
35 HE22 GLN 6 2HE2 GLN 6 3.317 8.374 -9.898
36 H ASN 7 H ASN 7 -1.317 7.092 -6.102
37 HA ASN 7 HA ASN 7 -3.752 8.156 -7.354
38 HB2 ASN 7 2HB ASN 7 -2.322 7.876 -9.328
39 HB3 ASN 7 1HB ASN 7 -2.114 6.166 -8.965
40 HD21 ASN 7 1HD2 ASN 7 -3.045 5.539 -10.937
41 HD22 ASN 7 2HD2 ASN 7 -4.731 5.670 -11.248
42 H CYS 8 H CYS 8 -5.209 7.278 -6.015
43 HA CYS 8 HA CYS 8 -4.828 4.495 -5.482
44 HB2 CYS 8 2HB CYS 8 -4.975 5.775 -3.424
45 HB3 CYS 8 1HB CYS 8 -6.530 6.441 -3.920
46 H GLN 9 H GLN 9 -5.983 3.113 -6.336
47 HA GLN 9 HA GLN 9 -8.178 3.580 -8.144
48 HB2 GLN 9 2HB GLN 9 -7.101 1.027 -6.953
49 HB3 GLN 9 1HB GLN 9 -8.143 1.085 -8.362
50 HG2 GLN 9 2HG GLN 9 -6.343 2.292 -9.567
51 HG3 GLN 9 1HG GLN 9 -5.362 2.228 -8.123
52 HE21 GLN 9 1HE2 GLN 9 -3.771 1.050 -9.111
53 HE22 GLN 9 2HE2 GLN 9 -3.928 -0.607 -9.543
54 H ARG 10 H ARG 10 -7.980 3.431 -4.872
55 HA ARG 10 HA ARG 10 -9.189 2.847 -3.053
56 HB2 ARG 10 2HB ARG 10 -10.328 4.874 -4.072
57 HB3 ARG 10 1HB ARG 10 -11.505 3.775 -4.769
58 HG2 ARG 10 2HG ARG 10 -12.191 3.077 -2.510
59 HG3 ARG 10 1HG ARG 10 -10.994 4.173 -1.821
60 HD2 ARG 10 2HD ARG 10 -12.141 6.063 -2.898
61 HD3 ARG 10 1HD ARG 10 -13.353 4.956 -3.528
62 HE ARG 10 HE ARG 10 -12.876 5.229 -0.634
63 HH11 ARG 10 1HH1 ARG 10 -15.133 5.399 -3.388
64 HH12 ARG 10 2HH1 ARG 10 -16.484 5.656 -2.424
65 HH21 ARG 10 1HH2 ARG 10 -14.818 5.649 0.688
66 HH22 ARG 10 2HH2 ARG 10 -16.305 5.787 -0.107
67 HA PRO 11 HA PRO 11 -10.969 -1.169 -4.932
68 HB2 PRO 11 2HB PRO 11 -8.583 -2.548 -4.012
69 HB3 PRO 11 1HB PRO 11 -9.251 -2.487 -5.659
70 HG2 PRO 11 2HG PRO 11 -6.918 -1.302 -4.988
71 HG3 PRO 11 1HG PRO 11 -8.020 -0.606 -6.182
72 HD2 PRO 11 2HD PRO 11 -7.702 0.094 -3.287
73 HD3 PRO 11 1HD PRO 11 -7.803 1.180 -4.696
74 H CYS 12 H CYS 12 -12.120 -2.551 -3.663
75 HA CYS 12 HA CYS 12 -11.279 -2.873 -0.904
76 HB2 CYS 12 2HB CYS 12 -12.953 -1.096 -0.949
77 HB3 CYS 12 1HB CYS 12 -14.073 -2.141 -1.810
78 HG CYS 12 HG CYS 12 -15.149 -3.153 0.295
79 H LYS 13 H LYS 13 -11.016 -4.960 -0.565
80 HA LYS 13 HA LYS 13 -13.075 -6.832 -1.377
81 HB2 LYS 13 2HB LYS 13 -10.089 -7.278 -1.709
82 HB3 LYS 13 1HB LYS 13 -11.298 -8.541 -1.767
83 HG2 LYS 13 2HG LYS 13 -12.283 -7.493 -3.736
84 HG3 LYS 13 1HG LYS 13 -11.029 -6.255 -3.697
85 HD2 LYS 13 2HD LYS 13 -9.268 -7.904 -3.988
86 HD3 LYS 13 1HD LYS 13 -10.435 -9.222 -3.891
87 HE2 LYS 13 2HE LYS 13 -11.454 -8.511 -5.985
88 HE3 LYS 13 1HE LYS 13 -10.348 -7.139 -6.085
89 HZ1 LYS 13 3HZ LYS 13 -9.520 -9.996 -6.102
90 HZ2 LYS 13 1HZ LYS 13 -8.498 -8.676 -6.325
91 HZ3 LYS 13 2HZ LYS 13 -9.653 -9.045 -7.473
92 H ASP 14 H ASP 14 -13.102 -8.689 0.064
93 HA ASP 14 HA ASP 14 -12.191 -8.046 2.726
94 HB2 ASP 14 2HB ASP 14 -13.517 -10.592 1.703
95 HB3 ASP 14 1HB ASP 14 -13.257 -10.204 3.390
96 H LYS 15 H LYS 15 -10.765 -9.169 0.102
97 HA LYS 15 HA LYS 15 -8.747 -10.728 1.549
98 HB2 LYS 15 2HB LYS 15 -9.708 -11.269 -1.265
99 HB3 LYS 15 1HB LYS 15 -8.418 -12.132 -0.442
100 HG2 LYS 15 2HG LYS 15 -10.083 -12.963 1.191
101 HG3 LYS 15 1HG LYS 15 -11.349 -12.148 0.270
102 HD2 LYS 15 2HD LYS 15 -10.793 -13.466 -1.699
103 HD3 LYS 15 1HD LYS 15 -9.501 -14.281 -0.816
104 HE2 LYS 15 2HE LYS 15 -11.268 -15.101 0.775
105 HE3 LYS 15 1HE LYS 15 -12.466 -14.419 -0.306
106 HZ1 LYS 15 3HZ LYS 15 -12.131 -16.770 -0.721
107 HZ2 LYS 15 1HZ LYS 15 -10.497 -16.511 -1.027
108 HZ3 LYS 15 2HZ LYS 15 -11.665 -15.883 -2.084
109 H VAL 16 H VAL 16 -7.587 -8.737 1.701
110 HA VAL 16 HA VAL 16 -5.674 -8.415 -0.245
111 HB VAL 16 HB VAL 16 -7.320 -7.228 -1.633
112 HG11 VAL 16 1HG1 VAL 16 -7.645 -5.446 0.732
113 HG12 VAL 16 2HG1 VAL 16 -8.895 -6.517 0.044
114 HG13 VAL 16 3HG1 VAL 16 -8.325 -5.112 -0.862
115 HG21 VAL 16 3HG2 VAL 16 -6.116 -5.124 -1.974
116 HG22 VAL 16 1HG2 VAL 16 -4.969 -6.427 -1.644
117 HG23 VAL 16 2HG2 VAL 16 -5.391 -5.287 -0.373
118 H ASP 17 H ASP 17 -4.189 -8.260 1.027
119 HA ASP 17 HA ASP 17 -4.114 -6.867 3.470
120 HB2 ASP 17 2HB ASP 17 -1.769 -7.910 1.851
121 HB3 ASP 17 1HB ASP 17 -1.733 -7.452 3.551
122 H TRP 18 H TRP 18 -2.530 -5.199 4.045
123 HA TRP 18 HA TRP 18 -2.391 -3.030 2.038
124 HB2 TRP 18 2HB TRP 18 -3.223 -2.843 4.939
125 HB3 TRP 18 1HB TRP 18 -2.910 -1.464 3.909
126 HD1 TRP 18 HD TRP 18 -5.172 -4.597 3.440
127 HE1 TRP 18 1HE TRP 18 -7.464 -3.833 2.706
128 HE3 TRP 18 3HE TRP 18 -4.314 0.431 3.506
129 HZ2 TRP 18 2HZ TRP 18 -8.795 -1.338 2.236
130 HZ3 TRP 18 3HZ TRP 18 -6.138 1.938 2.915
131 HH2 TRP 18 HH TRP 18 -8.344 1.077 2.291
132 H VAL 19 H VAL 19 -0.638 -1.279 2.648
133 HA VAL 19 HA VAL 19 1.351 -2.473 4.317
134 HB VAL 19 HB VAL 19 3.103 -1.703 2.691
135 HG11 VAL 19 1HG1 VAL 19 2.457 -4.029 2.716
136 HG12 VAL 19 2HG1 VAL 19 2.850 -3.492 1.077
137 HG13 VAL 19 3HG1 VAL 19 1.164 -3.687 1.561
138 HG21 VAL 19 3HG2 VAL 19 0.754 -1.248 0.829
139 HG22 VAL 19 1HG2 VAL 19 2.466 -1.205 0.376
140 HG23 VAL 19 2HG2 VAL 19 1.822 -0.001 1.495
141 H GLN 20 H GLN 20 2.304 -1.072 5.558
142 HA GLN 20 HA GLN 20 1.467 1.749 5.480
143 HB2 GLN 20 2HB GLN 20 1.109 0.479 7.598
144 HB3 GLN 20 1HB GLN 20 2.842 0.202 7.696
145 HG2 GLN 20 2HG GLN 20 3.205 2.631 7.898
146 HG3 GLN 20 1HG GLN 20 1.469 2.873 7.811
147 HE21 GLN 20 1HE2 GLN 20 3.368 3.545 9.897
148 HE22 GLN 20 2HE2 GLN 20 2.802 2.836 11.338
149 H CYS 21 H CYS 21 3.013 3.409 5.196
150 HA CYS 21 HA CYS 21 5.669 2.409 4.563
151 HB2 CYS 21 2HB CYS 21 6.203 4.643 3.564
152 HB3 CYS 21 1HB CYS 21 4.685 4.043 2.966
153 H ASP 22 H ASP 22 6.890 2.007 6.063
154 HA ASP 22 HA ASP 22 6.726 3.299 8.651
155 HB2 ASP 22 2HB ASP 22 8.473 1.056 7.624
156 HB3 ASP 22 1HB ASP 22 8.486 1.630 9.291
157 H GLY 23 H GLY 23 7.757 4.685 6.267
158 HA2 GLY 23 2HA GLY 23 10.545 5.166 6.991
159 HA3 GLY 23 1HA GLY 23 9.771 5.743 5.517
160 H GLY 24 H GLY 24 7.443 6.500 7.598
161 HA2 GLY 24 2HA GLY 24 8.104 8.317 9.398
162 HA3 GLY 24 1HA GLY 24 8.588 9.165 7.957
163 H CYS 25 H CYS 25 5.977 7.799 6.672
164 HA CYS 25 HA CYS 25 4.317 10.104 7.441
165 HB2 CYS 25 2HB CYS 25 3.562 7.992 5.411
166 HB3 CYS 25 1HB CYS 25 2.912 9.626 5.559
167 H ASP 26 H ASP 26 4.513 6.686 7.841
168 HA ASP 26 HA ASP 26 3.276 5.055 8.811
169 HB2 ASP 26 2HB ASP 26 2.308 7.389 10.489
170 HB3 ASP 26 1HB ASP 26 1.882 5.722 10.815
171 H GLU 27 H GLU 27 2.131 6.453 6.516
172 HA GLU 27 HA GLU 27 -0.717 6.187 6.954
173 HB2 GLU 27 2HB GLU 27 0.822 7.062 4.499
174 HB3 GLU 27 1HB GLU 27 -0.934 6.955 4.589
175 HG2 GLU 27 2HG GLU 27 -0.911 8.614 6.390
176 HG3 GLU 27 1HG GLU 27 0.848 8.749 6.235
177 H TRP 28 H TRP 28 -1.973 5.026 5.370
178 HA TRP 28 HA TRP 28 -0.753 2.391 4.864
179 HB2 TRP 28 2HB TRP 28 -3.614 3.055 5.550
180 HB3 TRP 28 1HB TRP 28 -3.088 1.462 5.018
181 HD1 TRP 28 HD TRP 28 -2.649 3.896 7.981
182 HE1 TRP 28 1HE TRP 28 -1.890 2.535 10.025
183 HE3 TRP 28 3HE TRP 28 -2.015 -0.653 5.742
184 HZ2 TRP 28 2HZ TRP 28 -1.153 -0.116 10.623
185 HZ3 TRP 28 3HZ TRP 28 -1.264 -2.560 7.128
186 HH2 TRP 28 HH TRP 28 -0.861 -2.296 9.511
187 H PHE 29 H PHE 29 -0.689 1.608 2.917
188 HA PHE 29 HA PHE 29 -2.082 3.023 0.730
189 HB2 PHE 29 2HB PHE 29 0.611 1.584 0.588
190 HB3 PHE 29 1HB PHE 29 -0.160 2.521 -0.666
191 HD1 PHE 29 1HD PHE 29 1.025 2.976 2.831
192 HD2 PHE 29 2HD PHE 29 0.636 4.679 -1.043
193 HE1 PHE 29 1HE PHE 29 2.283 4.927 3.574
194 HE2 PHE 29 2HE PHE 29 1.891 6.639 -0.307
195 HZ PHE 29 HZ PHE 29 2.728 6.752 2.057
196 H HIS 30 H HIS 30 -2.550 1.653 -1.088
197 HA HIS 30 HA HIS 30 -3.173 -1.165 -0.376
198 HB2 HIS 30 2HB HIS 30 -4.000 0.624 -2.595
199 HB3 HIS 30 1HB HIS 30 -4.307 -1.037 -2.875
200 HD2 HIS 30 2HD HIS 30 -6.311 -1.986 -0.805
201 HE1 HIS 30 1HE HIS 30 -8.019 1.890 -0.758
202 HE2 HIS 30 2HE HIS 30 -8.449 -0.571 -0.514
203 H GLN 31 H GLN 31 -2.044 -2.788 -1.233
204 HA GLN 31 HA GLN 31 0.389 -2.430 -2.457
205 HB2 GLN 31 2HB GLN 31 -1.375 -4.866 -2.390
206 HB3 GLN 31 1HB GLN 31 0.242 -4.865 -3.090
207 HG2 GLN 31 2HG GLN 31 1.265 -4.449 -1.073
208 HG3 GLN 31 1HG GLN 31 -0.179 -3.896 -0.278
209 HE21 GLN 31 1HE2 GLN 31 -0.046 -6.811 -2.256
210 HE22 GLN 31 2HE2 GLN 31 -0.223 -7.882 -0.901
211 H VAL 32 H VAL 32 -2.701 -2.939 -4.063
212 HA VAL 32 HA VAL 32 -1.458 -3.050 -6.644
213 HB VAL 32 HB VAL 32 -3.643 -4.166 -6.341
214 HG11 VAL 32 1HG1 VAL 32 -4.605 -1.377 -6.032
215 HG12 VAL 32 2HG1 VAL 32 -4.526 -2.558 -4.735
216 HG13 VAL 32 3HG1 VAL 32 -5.685 -2.780 -6.093
217 HG21 VAL 32 3HG2 VAL 32 -4.796 -3.232 -8.309
218 HG22 VAL 32 1HG2 VAL 32 -3.044 -3.410 -8.581
219 HG23 VAL 32 2HG2 VAL 32 -3.739 -1.830 -8.186
220 H CYS 33 H CYS 33 -3.008 -0.629 -4.824
221 HA CYS 33 HA CYS 33 -3.131 1.345 -6.947
222 HB2 CYS 33 2HB CYS 33 -4.234 2.818 -5.494
223 HB3 CYS 33 1HB CYS 33 -4.718 1.264 -4.943
224 H VAL 34 H VAL 34 -0.724 0.730 -4.411
225 HA VAL 34 HA VAL 34 0.647 3.044 -5.436
226 HB VAL 34 HB VAL 34 0.227 2.416 -2.847
227 HG11 VAL 34 1HG1 VAL 34 1.098 0.258 -2.874
228 HG12 VAL 34 2HG1 VAL 34 1.924 1.364 -1.764
229 HG13 VAL 34 3HG1 VAL 34 2.676 0.941 -3.287
230 HG21 VAL 34 3HG2 VAL 34 2.760 3.497 -3.949
231 HG22 VAL 34 1HG2 VAL 34 2.098 3.753 -2.315
232 HG23 VAL 34 2HG2 VAL 34 1.211 4.361 -3.713
233 H GLY 35 H GLY 35 0.341 0.213 -6.538
234 HA2 GLY 35 2HA GLY 35 1.618 -1.405 -7.656
235 HA3 GLY 35 1HA GLY 35 2.741 -0.094 -7.885
236 H VAL 36 H VAL 36 1.813 -2.316 -5.174
237 HA VAL 36 HA VAL 36 4.635 -2.838 -4.702
238 HB VAL 36 HB VAL 36 2.152 -3.162 -2.987
239 HG11 VAL 36 1HG1 VAL 36 3.685 -3.866 -1.160
240 HG12 VAL 36 2HG1 VAL 36 5.002 -4.040 -2.373
241 HG13 VAL 36 3HG1 VAL 36 3.552 -5.023 -2.471
242 HG21 VAL 36 3HG2 VAL 36 2.876 -0.936 -3.051
243 HG22 VAL 36 1HG2 VAL 36 4.551 -1.391 -2.685
244 HG23 VAL 36 2HG2 VAL 36 3.296 -1.631 -1.475
245 H SER 37 H SER 37 5.266 -5.235 -4.654
246 HA SER 37 HA SER 37 3.382 -6.811 -6.043
247 HB2 SER 37 2HB SER 37 5.499 -8.183 -6.294
248 HB3 SER 37 1HB SER 37 5.576 -6.574 -7.039
249 HG SER 37 HG SER 37 7.416 -6.735 -5.880
250 HA PRO 38 HA PRO 38 2.679 -9.202 -2.256
251 HB2 PRO 38 2HB PRO 38 3.088 -11.775 -3.193
252 HB3 PRO 38 1HB PRO 38 1.578 -10.890 -3.343
253 HG2 PRO 38 2HG PRO 38 3.773 -11.236 -5.301
254 HG3 PRO 38 1HG PRO 38 2.019 -11.288 -5.601
255 HD2 PRO 38 2HD PRO 38 3.465 -9.151 -6.262
256 HD3 PRO 38 1HD PRO 38 1.851 -8.948 -5.547
257 H GLU 39 H GLU 39 5.603 -9.627 -4.166
258 HA GLU 39 HA GLU 39 7.001 -11.228 -2.292
259 HB2 GLU 39 2HB GLU 39 7.490 -11.214 -4.733
260 HB3 GLU 39 1HB GLU 39 7.992 -9.541 -4.607
261 HG2 GLU 39 2HG GLU 39 9.849 -10.176 -3.173
262 HG3 GLU 39 1HG GLU 39 9.328 -11.856 -3.221
263 H MET 40 H MET 40 6.595 -7.767 -2.869
264 HA MET 40 HA MET 40 8.769 -7.054 -1.159
265 HB2 MET 40 2HB MET 40 7.772 -5.492 -3.094
266 HB3 MET 40 1HB MET 40 6.536 -5.274 -1.948
267 HG2 MET 40 2HG MET 40 7.657 -4.095 -0.470
268 HG3 MET 40 1HG MET 40 9.228 -4.770 -0.887
269 HE1 MET 40 3HE MET 40 6.420 -2.165 -1.932
270 HE2 MET 40 1HE MET 40 6.561 -3.174 -3.373
271 HE3 MET 40 2HE MET 40 7.097 -1.502 -3.419
272 H ALA 41 H ALA 41 5.280 -7.096 -0.832
273 HA ALA 41 HA ALA 41 5.101 -5.819 1.659
274 HB1 ALA 41 1HB ALA 41 3.196 -6.166 0.138
275 HB2 ALA 41 2HB ALA 41 2.842 -6.660 1.787
276 HB3 ALA 41 3HB ALA 41 3.185 -7.879 0.559
277 H GLU 42 H GLU 42 5.325 -9.242 0.955
278 HA GLU 42 HA GLU 42 5.152 -9.942 3.737
279 HB2 GLU 42 2HB GLU 42 5.905 -11.652 1.379
280 HB3 GLU 42 1HB GLU 42 5.583 -12.243 3.001
281 HG2 GLU 42 2HG GLU 42 3.296 -11.411 2.862
282 HG3 GLU 42 1HG GLU 42 3.614 -10.837 1.217
283 H ASN 43 H ASN 43 7.781 -8.996 1.740
284 HA ASN 43 HA ASN 43 9.593 -10.309 3.612
285 HB2 ASN 43 2HB ASN 43 9.914 -9.813 0.707
286 HB3 ASN 43 1HB ASN 43 11.299 -10.149 1.741
287 HD21 ASN 43 1HD2 ASN 43 10.135 -11.677 -0.478
288 HD22 ASN 43 2HD2 ASN 43 9.778 -13.238 0.195
289 H GLU 44 H GLU 44 8.976 -7.106 2.191
290 HA GLU 44 HA GLU 44 11.327 -6.229 3.705
291 HB2 GLU 44 2HB GLU 44 10.766 -5.367 0.869
292 HB3 GLU 44 1HB GLU 44 12.017 -4.698 1.914
293 HG2 GLU 44 2HG GLU 44 13.023 -6.957 2.067
294 HG3 GLU 44 1HG GLU 44 11.836 -7.531 0.892
295 H ASP 45 H ASP 45 11.506 -3.886 3.873
296 HA ASP 45 HA ASP 45 9.181 -2.844 5.171
297 HB2 ASP 45 2HB ASP 45 11.837 -1.518 4.591
298 HB3 ASP 45 1HB ASP 45 10.659 -0.967 5.752
299 H TYR 46 H TYR 46 7.635 -1.855 4.099
300 HA TYR 46 HA TYR 46 8.015 -0.745 1.510
301 HB2 TYR 46 2HB TYR 46 5.850 -1.689 1.858
302 HB3 TYR 46 1HB TYR 46 5.554 -0.686 3.284
303 HD1 TYR 46 1HD TYR 46 5.855 -0.663 -0.399
304 HD2 TYR 46 2HD TYR 46 4.684 1.472 3.050
305 HE1 TYR 46 1HE TYR 46 4.745 1.111 -1.830
306 HE2 TYR 46 2HE TYR 46 3.630 3.191 1.611
307 HH TYR 46 HH TYR 46 3.133 2.715 -1.597
308 H ILE 47 H ILE 47 8.835 0.969 1.063
309 HA ILE 47 HA ILE 47 8.648 3.437 2.706
310 HB ILE 47 HB ILE 47 10.538 2.830 0.382
311 HG12 ILE 47 2HG1 ILE 47 11.094 1.409 2.292
312 HG13 ILE 47 1HG1 ILE 47 12.328 2.640 2.075
313 HG21 ILE 47 1HG2 ILE 47 10.167 5.200 0.569
314 HG22 ILE 47 2HG2 ILE 47 11.804 4.851 1.100
315 HG23 ILE 47 3HG2 ILE 47 10.512 5.138 2.291
316 HD11 ILE 47 3HD1 ILE 47 11.348 3.932 3.935
317 HD12 ILE 47 1HD1 ILE 47 11.838 2.312 4.423
318 HD13 ILE 47 2HD1 ILE 47 10.141 2.670 4.152
319 H CYS 48 H CYS 48 7.822 5.495 1.524
320 HA CYS 48 HA CYS 48 6.332 4.697 -0.855
321 HB2 CYS 48 2HB CYS 48 4.670 6.254 -0.259
322 HB3 CYS 48 1HB CYS 48 5.055 5.464 1.266
323 H ILE 49 H ILE 49 5.841 6.794 -2.099
324 HA ILE 49 HA ILE 49 8.128 7.910 -3.230
325 HB ILE 49 HB ILE 49 6.065 7.857 -4.414
326 HG12 ILE 49 2HG1 ILE 49 6.767 10.715 -3.885
327 HG13 ILE 49 1HG1 ILE 49 7.707 9.635 -4.906
328 HG21 ILE 49 1HG2 ILE 49 4.475 8.112 -2.632
329 HG22 ILE 49 2HG2 ILE 49 4.142 9.311 -3.881
330 HG23 ILE 49 3HG2 ILE 49 4.960 9.794 -2.389
331 HD11 ILE 49 3HD1 ILE 49 4.816 10.348 -5.440
332 HD12 ILE 49 1HD1 ILE 49 5.903 9.368 -6.395
333 HD13 ILE 49 2HD1 ILE 49 6.208 11.100 -6.235
334 H ASN 50 H ASN 50 6.148 9.239 -0.602
335 HA ASN 50 HA ASN 50 7.626 11.693 -0.516
336 HB2 ASN 50 2HB ASN 50 5.617 10.560 1.462
337 HB3 ASN 50 1HB ASN 50 6.332 12.154 1.584
338 HD21 ASN 50 1HD2 ASN 50 5.679 13.770 0.133
339 HD22 ASN 50 2HD2 ASN 50 4.272 13.598 -0.822
340 H CYS 51 H CYS 51 7.741 8.640 1.126
341 HA CYS 51 HA CYS 51 9.667 9.463 3.096
342 HB2 CYS 51 2HB CYS 51 8.762 6.724 2.185
343 HB3 CYS 51 1HB CYS 51 10.055 6.939 3.341
344 H ALA 52 H ALA 52 9.779 8.443 -0.178
345 HA ALA 52 HA ALA 52 12.573 7.733 -0.034
346 HB1 ALA 52 3HB ALA 52 12.370 7.155 -2.430
347 HB2 ALA 52 1HB ALA 52 10.720 7.792 -2.408
348 HB3 ALA 52 2HB ALA 52 11.146 6.384 -1.422
Start of MODEL 12
1 HA SER 1 HA SER 1 -11.811 6.418 3.688
2 HB2 SER 1 2HB SER 1 -13.200 4.426 4.369
3 HB3 SER 1 1HB SER 1 -12.838 3.702 2.803
4 HG SER 1 HG SER 1 -11.371 3.730 5.067
5 H VAL 2 H VAL 2 -10.319 7.321 2.353
6 HA VAL 2 HA VAL 2 -9.565 5.827 -0.044
7 HB VAL 2 HB VAL 2 -9.286 8.819 0.455
8 HG11 VAL 2 1HG1 VAL 2 -7.512 7.993 -0.931
9 HG12 VAL 2 2HG1 VAL 2 -8.612 8.963 -1.918
10 HG13 VAL 2 3HG1 VAL 2 -8.655 7.203 -2.012
11 HG21 VAL 2 3HG2 VAL 2 -11.629 8.205 0.066
12 HG22 VAL 2 1HG2 VAL 2 -11.166 7.407 -1.434
13 HG23 VAL 2 2HG2 VAL 2 -10.989 9.154 -1.286
14 H CYS 3 H CYS 3 -7.309 5.401 -0.199
15 HA CYS 3 HA CYS 3 -5.978 5.798 2.353
16 HB2 CYS 3 2HB CYS 3 -4.876 3.820 1.942
17 HB3 CYS 3 1HB CYS 3 -6.245 3.573 0.860
18 H ALA 4 H ALA 4 -3.377 5.685 1.654
19 HA ALA 4 HA ALA 4 -2.925 8.283 0.379
20 HB1 ALA 4 1HB ALA 4 -1.027 6.499 1.923
21 HB2 ALA 4 2HB ALA 4 -1.853 7.922 2.572
22 HB3 ALA 4 3HB ALA 4 -0.648 8.098 1.293
23 H ALA 5 H ALA 5 -2.518 8.213 -1.748
24 HA ALA 5 HA ALA 5 -0.229 6.966 -2.818
25 HB1 ALA 5 1HB ALA 5 -1.684 4.913 -2.918
26 HB2 ALA 5 2HB ALA 5 -1.330 5.505 -4.520
27 HB3 ALA 5 3HB ALA 5 -2.892 5.846 -3.794
28 H GLN 6 H GLN 6 0.360 8.088 -4.703
29 HA GLN 6 HA GLN 6 -0.622 10.413 -5.517
30 HB2 GLN 6 2HB GLN 6 0.592 8.198 -7.189
31 HB3 GLN 6 1HB GLN 6 0.401 9.836 -7.775
32 HG2 GLN 6 2HG GLN 6 1.989 10.599 -6.162
33 HG3 GLN 6 1HG GLN 6 1.980 9.037 -5.355
34 HE21 GLN 6 1HE2 GLN 6 2.994 10.735 -8.212
35 HE22 GLN 6 2HE2 GLN 6 4.144 9.560 -8.742
36 H ASN 7 H ASN 7 -1.583 7.383 -6.703
37 HA ASN 7 HA ASN 7 -4.259 8.461 -7.320
38 HB2 ASN 7 2HB ASN 7 -3.085 8.431 -9.516
39 HB3 ASN 7 1HB ASN 7 -2.871 6.683 -9.327
40 HD21 ASN 7 1HD2 ASN 7 -4.649 5.321 -9.685
41 HD22 ASN 7 2HD2 ASN 7 -6.113 5.909 -10.389
42 H CYS 8 H CYS 8 -5.381 7.469 -5.771
43 HA CYS 8 HA CYS 8 -4.898 4.667 -5.498
44 HB2 CYS 8 2HB CYS 8 -4.979 5.829 -3.385
45 HB3 CYS 8 1HB CYS 8 -6.588 6.479 -3.754
46 H GLN 9 H GLN 9 -6.004 3.267 -6.447
47 HA GLN 9 HA GLN 9 -8.237 3.749 -8.131
48 HB2 GLN 9 2HB GLN 9 -7.102 1.161 -7.073
49 HB3 GLN 9 1HB GLN 9 -8.135 1.304 -8.470
50 HG2 GLN 9 2HG GLN 9 -6.399 2.605 -9.622
51 HG3 GLN 9 1HG GLN 9 -5.377 2.480 -8.194
52 HE21 GLN 9 1HE2 GLN 9 -3.738 1.408 -9.282
53 HE22 GLN 9 2HE2 GLN 9 -3.906 -0.203 -9.832
54 H ARG 10 H ARG 10 -8.011 3.429 -4.856
55 HA ARG 10 HA ARG 10 -9.211 2.727 -3.063
56 HB2 ARG 10 2HB ARG 10 -10.445 4.747 -3.956
57 HB3 ARG 10 1HB ARG 10 -11.570 3.639 -4.722
58 HG2 ARG 10 2HG ARG 10 -12.182 2.728 -2.534
59 HG3 ARG 10 1HG ARG 10 -11.054 3.827 -1.746
60 HD2 ARG 10 2HD ARG 10 -12.361 5.749 -2.688
61 HD3 ARG 10 1HD ARG 10 -13.526 4.578 -3.312
62 HE ARG 10 HE ARG 10 -13.022 4.274 -0.517
63 HH11 ARG 10 1HH1 ARG 10 -14.959 6.131 -2.847
64 HH12 ARG 10 2HH1 ARG 10 -16.183 6.483 -1.713
65 HH21 ARG 10 1HH2 ARG 10 -14.761 4.818 1.028
66 HH22 ARG 10 2HH2 ARG 10 -16.039 5.776 0.471
67 HA PRO 11 HA PRO 11 -10.700 -1.303 -5.037
68 HB2 PRO 11 2HB PRO 11 -8.347 -2.571 -3.850
69 HB3 PRO 11 1HB PRO 11 -8.895 -2.584 -5.533
70 HG2 PRO 11 2HG PRO 11 -6.681 -1.278 -4.756
71 HG3 PRO 11 1HG PRO 11 -7.698 -0.699 -6.083
72 HD2 PRO 11 2HD PRO 11 -7.590 0.234 -3.238
73 HD3 PRO 11 1HD PRO 11 -7.703 1.174 -4.739
74 H CYS 12 H CYS 12 -12.095 -2.393 -3.802
75 HA CYS 12 HA CYS 12 -11.495 -2.677 -0.969
76 HB2 CYS 12 2HB CYS 12 -13.213 -0.954 -1.347
77 HB3 CYS 12 1HB CYS 12 -14.199 -2.112 -2.222
78 HG CYS 12 HG CYS 12 -13.522 -3.357 0.745
79 H LYS 13 H LYS 13 -11.055 -4.787 -0.712
80 HA LYS 13 HA LYS 13 -13.076 -6.705 -1.511
81 HB2 LYS 13 2HB LYS 13 -10.095 -7.148 -1.816
82 HB3 LYS 13 1HB LYS 13 -11.327 -8.399 -1.982
83 HG2 LYS 13 2HG LYS 13 -12.208 -7.109 -3.946
84 HG3 LYS 13 1HG LYS 13 -10.818 -6.039 -3.801
85 HD2 LYS 13 2HD LYS 13 -9.324 -7.974 -4.059
86 HD3 LYS 13 1HD LYS 13 -10.729 -9.018 -4.241
87 HE2 LYS 13 2HE LYS 13 -11.401 -7.630 -6.238
88 HE3 LYS 13 1HE LYS 13 -9.861 -6.797 -6.080
89 HZ1 LYS 13 3HZ LYS 13 -10.229 -9.699 -6.534
90 HZ2 LYS 13 1HZ LYS 13 -8.723 -8.945 -6.378
91 HZ3 LYS 13 2HZ LYS 13 -9.710 -8.596 -7.698
92 H ASP 14 H ASP 14 -13.071 -8.543 -0.114
93 HA ASP 14 HA ASP 14 -12.660 -7.782 2.592
94 HB2 ASP 14 2HB ASP 14 -13.228 -10.527 1.453
95 HB3 ASP 14 1HB ASP 14 -13.366 -10.065 3.155
96 H LYS 15 H LYS 15 -10.991 -10.243 0.534
97 HA LYS 15 HA LYS 15 -8.895 -10.258 2.511
98 HB2 LYS 15 2HB LYS 15 -9.965 -12.363 1.905
99 HB3 LYS 15 1HB LYS 15 -9.552 -12.129 0.225
100 HG2 LYS 15 2HG LYS 15 -7.177 -12.389 0.753
101 HG3 LYS 15 1HG LYS 15 -7.591 -12.554 2.477
102 HD2 LYS 15 2HD LYS 15 -8.948 -14.512 1.988
103 HD3 LYS 15 1HD LYS 15 -8.588 -14.370 0.272
104 HE2 LYS 15 2HE LYS 15 -6.215 -14.811 0.749
105 HE3 LYS 15 1HE LYS 15 -6.575 -14.922 2.461
106 HZ1 LYS 15 3HZ LYS 15 -7.928 -16.856 2.065
107 HZ2 LYS 15 1HZ LYS 15 -6.414 -17.095 1.402
108 HZ3 LYS 15 2HZ LYS 15 -7.742 -16.761 0.403
109 H VAL 16 H VAL 16 -7.809 -8.396 2.017
110 HA VAL 16 HA VAL 16 -5.974 -8.632 -0.136
111 HB VAL 16 HB VAL 16 -7.698 -7.460 -1.409
112 HG11 VAL 16 1HG1 VAL 16 -8.979 -6.513 0.428
113 HG12 VAL 16 2HG1 VAL 16 -8.531 -5.242 -0.730
114 HG13 VAL 16 3HG1 VAL 16 -7.631 -5.431 0.790
115 HG21 VAL 16 3HG2 VAL 16 -5.618 -5.497 -0.543
116 HG22 VAL 16 1HG2 VAL 16 -6.460 -5.445 -2.085
117 HG23 VAL 16 2HG2 VAL 16 -5.309 -6.761 -1.734
118 H ASP 17 H ASP 17 -4.191 -8.200 0.632
119 HA ASP 17 HA ASP 17 -3.593 -6.938 3.073
120 HB2 ASP 17 2HB ASP 17 -1.708 -7.450 0.790
121 HB3 ASP 17 1HB ASP 17 -1.252 -7.166 2.475
122 H TRP 18 H TRP 18 -2.228 -5.161 3.483
123 HA TRP 18 HA TRP 18 -2.384 -2.855 1.671
124 HB2 TRP 18 2HB TRP 18 -3.137 -2.993 4.607
125 HB3 TRP 18 1HB TRP 18 -2.864 -1.489 3.734
126 HD1 TRP 18 HD TRP 18 -5.167 -4.599 3.179
127 HE1 TRP 18 1HE TRP 18 -7.493 -3.780 2.606
128 HE3 TRP 18 3HE TRP 18 -4.235 0.405 3.358
129 HZ2 TRP 18 2HZ TRP 18 -8.828 -1.244 2.319
130 HZ3 TRP 18 3HZ TRP 18 -6.073 1.969 2.935
131 HH2 TRP 18 HH TRP 18 -8.338 1.157 2.423
132 H VAL 19 H VAL 19 -0.622 -1.141 2.347
133 HA VAL 19 HA VAL 19 1.384 -2.369 3.985
134 HB VAL 19 HB VAL 19 3.126 -1.442 2.422
135 HG11 VAL 19 1HG1 VAL 19 1.325 -3.549 1.235
136 HG12 VAL 19 2HG1 VAL 19 2.669 -3.799 2.360
137 HG13 VAL 19 3HG1 VAL 19 2.983 -3.191 0.732
138 HG21 VAL 19 3HG2 VAL 19 2.521 -0.960 0.100
139 HG22 VAL 19 1HG2 VAL 19 1.794 0.171 1.231
140 HG23 VAL 19 2HG2 VAL 19 0.808 -1.112 0.511
141 H GLN 20 H GLN 20 2.139 -1.046 5.409
142 HA GLN 20 HA GLN 20 1.444 1.784 5.280
143 HB2 GLN 20 2HB GLN 20 0.834 0.687 7.378
144 HB3 GLN 20 1HB GLN 20 2.484 0.062 7.564
145 HG2 GLN 20 2HG GLN 20 3.297 2.321 7.858
146 HG3 GLN 20 1HG GLN 20 1.687 2.983 7.619
147 HE21 GLN 20 1HE2 GLN 20 3.501 3.228 9.880
148 HE22 GLN 20 2HE2 GLN 20 2.659 2.652 11.244
149 H CYS 21 H CYS 21 3.027 3.334 5.103
150 HA CYS 21 HA CYS 21 5.641 2.219 4.505
151 HB2 CYS 21 2HB CYS 21 6.302 4.455 3.625
152 HB3 CYS 21 1HB CYS 21 4.791 3.924 2.940
153 H ASP 22 H ASP 22 6.924 1.811 6.032
154 HA ASP 22 HA ASP 22 6.747 3.135 8.608
155 HB2 ASP 22 2HB ASP 22 8.374 0.801 7.621
156 HB3 ASP 22 1HB ASP 22 8.590 1.478 9.235
157 H GLY 23 H GLY 23 7.727 4.515 6.266
158 HA2 GLY 23 2HA GLY 23 10.518 4.994 6.935
159 HA3 GLY 23 1HA GLY 23 9.669 5.625 5.523
160 H GLY 24 H GLY 24 7.422 6.206 7.787
161 HA2 GLY 24 2HA GLY 24 7.916 7.840 9.681
162 HA3 GLY 24 1HA GLY 24 8.582 8.830 8.382
163 H CYS 25 H CYS 25 6.041 7.603 6.780
164 HA CYS 25 HA CYS 25 4.386 9.930 7.520
165 HB2 CYS 25 2HB CYS 25 3.662 7.858 5.427
166 HB3 CYS 25 1HB CYS 25 3.040 9.485 5.562
167 H ASP 26 H ASP 26 4.521 6.525 7.864
168 HA ASP 26 HA ASP 26 3.288 4.923 8.801
169 HB2 ASP 26 2HB ASP 26 2.085 7.184 10.448
170 HB3 ASP 26 1HB ASP 26 1.926 5.486 10.797
171 H GLU 27 H GLU 27 2.174 6.399 6.451
172 HA GLU 27 HA GLU 27 -0.661 6.073 6.893
173 HB2 GLU 27 2HB GLU 27 0.797 7.075 4.449
174 HB3 GLU 27 1HB GLU 27 -0.938 6.923 4.550
175 HG2 GLU 27 2HG GLU 27 -0.877 8.488 6.520
176 HG3 GLU 27 1HG GLU 27 0.841 8.733 6.162
177 H TRP 28 H TRP 28 -1.903 5.059 5.187
178 HA TRP 28 HA TRP 28 -0.816 2.370 4.693
179 HB2 TRP 28 2HB TRP 28 -3.624 3.286 5.282
180 HB3 TRP 28 1HB TRP 28 -3.231 1.651 4.776
181 HD1 TRP 28 HD TRP 28 -2.217 4.090 7.635
182 HE1 TRP 28 1HE TRP 28 -1.818 2.710 9.762
183 HE3 TRP 28 3HE TRP 28 -3.003 -0.584 5.715
184 HZ2 TRP 28 2HZ TRP 28 -1.851 -0.017 10.538
185 HZ3 TRP 28 3HZ TRP 28 -2.800 -2.514 7.215
186 HH2 TRP 28 HH TRP 28 -2.229 -2.218 9.593
187 H PHE 29 H PHE 29 -0.665 1.646 2.767
188 HA PHE 29 HA PHE 29 -1.982 3.051 0.512
189 HB2 PHE 29 2HB PHE 29 0.682 1.583 0.454
190 HB3 PHE 29 1HB PHE 29 -0.022 2.571 -0.808
191 HD1 PHE 29 1HD PHE 29 1.221 2.788 2.684
192 HD2 PHE 29 2HD PHE 29 0.694 4.839 -1.020
193 HE1 PHE 29 1HE PHE 29 2.494 4.702 3.536
194 HE2 PHE 29 2HE PHE 29 1.954 6.710 -0.173
195 HZ PHE 29 HZ PHE 29 2.878 6.633 2.167
196 H HIS 30 H HIS 30 -2.458 1.682 -1.240
197 HA HIS 30 HA HIS 30 -3.014 -1.159 -0.585
198 HB2 HIS 30 2HB HIS 30 -3.900 0.681 -2.716
199 HB3 HIS 30 1HB HIS 30 -4.205 -0.954 -3.051
200 HD2 HIS 30 2HD HIS 30 -6.074 -2.019 -0.891
201 HE1 HIS 30 1HE HIS 30 -7.809 1.842 -0.608
202 HE2 HIS 30 2HE HIS 30 -8.200 -0.646 -0.415
203 H GLN 31 H GLN 31 -1.989 -2.759 -1.684
204 HA GLN 31 HA GLN 31 0.470 -2.216 -2.850
205 HB2 GLN 31 2HB GLN 31 -1.136 -4.763 -3.087
206 HB3 GLN 31 1HB GLN 31 0.489 -4.541 -3.698
207 HG2 GLN 31 2HG GLN 31 1.341 -4.115 -1.504
208 HG3 GLN 31 1HG GLN 31 -0.255 -4.205 -0.802
209 HE21 GLN 31 1HE2 GLN 31 -1.233 -6.213 -0.587
210 HE22 GLN 31 2HE2 GLN 31 -0.413 -7.687 -0.749
211 H VAL 32 H VAL 32 -2.588 -2.883 -4.560
212 HA VAL 32 HA VAL 32 -1.323 -2.722 -7.115
213 HB VAL 32 HB VAL 32 -3.437 -3.917 -6.841
214 HG11 VAL 32 1HG1 VAL 32 -4.447 -2.495 -5.154
215 HG12 VAL 32 2HG1 VAL 32 -5.554 -2.568 -6.559
216 HG13 VAL 32 3HG1 VAL 32 -4.445 -1.191 -6.322
217 HG21 VAL 32 3HG2 VAL 32 -2.879 -2.998 -9.057
218 HG22 VAL 32 1HG2 VAL 32 -3.667 -1.503 -8.551
219 HG23 VAL 32 2HG2 VAL 32 -4.631 -2.979 -8.784
220 H CYS 33 H CYS 33 -2.937 -0.474 -5.136
221 HA CYS 33 HA CYS 33 -3.117 1.601 -7.127
222 HB2 CYS 33 2HB CYS 33 -4.210 2.999 -5.559
223 HB3 CYS 33 1HB CYS 33 -4.669 1.420 -5.087
224 H VAL 34 H VAL 34 -0.643 0.940 -4.608
225 HA VAL 34 HA VAL 34 0.714 3.288 -5.568
226 HB VAL 34 HB VAL 34 0.238 2.598 -3.004
227 HG11 VAL 34 1HG1 VAL 34 1.091 0.461 -3.005
228 HG12 VAL 34 2HG1 VAL 34 1.922 1.546 -1.890
229 HG13 VAL 34 3HG1 VAL 34 2.673 1.129 -3.436
230 HG21 VAL 34 3HG2 VAL 34 2.158 3.869 -2.358
231 HG22 VAL 34 1HG2 VAL 34 1.248 4.594 -3.698
232 HG23 VAL 34 2HG2 VAL 34 2.782 3.733 -4.027
233 H GLY 35 H GLY 35 0.424 0.464 -6.702
234 HA2 GLY 35 2HA GLY 35 1.688 -1.117 -7.877
235 HA3 GLY 35 1HA GLY 35 2.838 0.175 -8.058
236 H VAL 36 H VAL 36 1.850 -2.148 -5.428
237 HA VAL 36 HA VAL 36 4.661 -2.795 -4.984
238 HB VAL 36 HB VAL 36 2.233 -2.880 -3.152
239 HG11 VAL 36 1HG1 VAL 36 5.037 -3.897 -2.574
240 HG12 VAL 36 2HG1 VAL 36 3.510 -4.788 -2.648
241 HG13 VAL 36 3HG1 VAL 36 3.764 -3.613 -1.364
242 HG21 VAL 36 3HG2 VAL 36 4.742 -1.210 -2.980
243 HG22 VAL 36 1HG2 VAL 36 3.477 -1.297 -1.759
244 HG23 VAL 36 2HG2 VAL 36 3.091 -0.669 -3.336
245 H SER 37 H SER 37 5.070 -5.237 -4.851
246 HA SER 37 HA SER 37 2.927 -6.704 -6.002
247 HB2 SER 37 2HB SER 37 4.841 -8.326 -6.303
248 HB3 SER 37 1HB SER 37 5.004 -6.820 -7.221
249 HG SER 37 HG SER 37 6.892 -6.791 -6.248
250 HA PRO 38 HA PRO 38 1.937 -8.660 -2.127
251 HB2 PRO 38 2HB PRO 38 2.337 -11.267 -3.537
252 HB3 PRO 38 1HB PRO 38 0.968 -10.704 -2.564
253 HG2 PRO 38 2HG PRO 38 0.771 -10.708 -5.201
254 HG3 PRO 38 1HG PRO 38 0.161 -9.325 -4.264
255 HD2 PRO 38 2HD PRO 38 2.682 -9.589 -5.867
256 HD3 PRO 38 1HD PRO 38 1.544 -8.234 -5.751
257 H GLU 39 H GLU 39 4.770 -9.827 -3.917
258 HA GLU 39 HA GLU 39 5.874 -11.415 -1.917
259 HB2 GLU 39 2HB GLU 39 7.003 -10.075 -4.371
260 HB3 GLU 39 1HB GLU 39 7.825 -11.267 -3.389
261 HG2 GLU 39 2HG GLU 39 6.193 -12.950 -3.986
262 HG3 GLU 39 1HG GLU 39 5.241 -11.764 -4.887
263 H MET 40 H MET 40 5.983 -7.989 -2.729
264 HA MET 40 HA MET 40 8.384 -7.497 -1.250
265 HB2 MET 40 2HB MET 40 7.491 -5.924 -3.248
266 HB3 MET 40 1HB MET 40 6.373 -5.440 -2.073
267 HG2 MET 40 2HG MET 40 7.716 -4.328 -0.773
268 HG3 MET 40 1HG MET 40 9.172 -5.249 -1.186
269 HE1 MET 40 3HE MET 40 6.626 -3.495 -3.707
270 HE2 MET 40 1HE MET 40 7.367 -1.910 -3.883
271 HE3 MET 40 2HE MET 40 6.662 -2.390 -2.333
272 H ALA 41 H ALA 41 4.958 -7.117 -0.734
273 HA ALA 41 HA ALA 41 4.951 -5.624 1.617
274 HB1 ALA 41 1HB ALA 41 2.931 -7.707 0.817
275 HB2 ALA 41 2HB ALA 41 2.979 -6.055 0.220
276 HB3 ALA 41 3HB ALA 41 2.652 -6.359 1.911
277 H GLU 42 H GLU 42 5.069 -9.071 1.287
278 HA GLU 42 HA GLU 42 5.149 -9.396 4.202
279 HB2 GLU 42 2HB GLU 42 5.428 -11.611 2.163
280 HB3 GLU 42 1HB GLU 42 5.330 -11.805 3.920
281 HG2 GLU 42 2HG GLU 42 3.072 -10.697 3.768
282 HG3 GLU 42 1HG GLU 42 3.197 -10.889 2.022
283 H ASN 43 H ASN 43 7.593 -8.877 1.908
284 HA ASN 43 HA ASN 43 9.537 -10.175 3.687
285 HB2 ASN 43 2HB ASN 43 9.560 -9.773 0.753
286 HB3 ASN 43 1HB ASN 43 11.026 -10.123 1.638
287 HD21 ASN 43 1HD2 ASN 43 9.688 -11.752 -0.386
288 HD22 ASN 43 2HD2 ASN 43 9.305 -13.249 0.401
289 H GLU 44 H GLU 44 8.903 -7.054 2.094
290 HA GLU 44 HA GLU 44 11.281 -6.112 3.486
291 HB2 GLU 44 2HB GLU 44 10.581 -5.448 0.612
292 HB3 GLU 44 1HB GLU 44 11.867 -4.675 1.534
293 HG2 GLU 44 2HG GLU 44 12.973 -6.897 1.761
294 HG3 GLU 44 1HG GLU 44 11.698 -7.596 0.785
295 H ASP 45 H ASP 45 11.224 -4.088 4.250
296 HA ASP 45 HA ASP 45 8.687 -3.117 5.006
297 HB2 ASP 45 2HB ASP 45 11.407 -1.790 5.305
298 HB3 ASP 45 1HB ASP 45 9.941 -1.409 6.214
299 H TYR 46 H TYR 46 7.444 -1.960 3.784
300 HA TYR 46 HA TYR 46 8.268 -0.761 1.375
301 HB2 TYR 46 2HB TYR 46 6.026 -1.723 1.514
302 HB3 TYR 46 1HB TYR 46 5.568 -0.511 2.713
303 HD1 TYR 46 1HD TYR 46 7.051 -0.590 -0.733
304 HD2 TYR 46 2HD TYR 46 4.302 1.237 1.943
305 HE1 TYR 46 1HE TYR 46 6.359 0.935 -2.516
306 HE2 TYR 46 2HE TYR 46 3.586 2.795 0.108
307 HH TYR 46 HH TYR 46 4.457 3.700 -1.923
308 H ILE 47 H ILE 47 9.109 0.933 1.021
309 HA ILE 47 HA ILE 47 8.790 3.379 2.667
310 HB ILE 47 HB ILE 47 10.790 2.840 0.421
311 HG12 ILE 47 2HG1 ILE 47 11.284 1.460 2.388
312 HG13 ILE 47 1HG1 ILE 47 12.502 2.693 2.179
313 HG21 ILE 47 1HG2 ILE 47 10.353 5.215 0.549
314 HG22 ILE 47 2HG2 ILE 47 11.947 4.878 1.229
315 HG23 ILE 47 3HG2 ILE 47 10.548 5.140 2.301
316 HD11 ILE 47 3HD1 ILE 47 11.453 4.020 3.975
317 HD12 ILE 47 1HD1 ILE 47 11.949 2.411 4.517
318 HD13 ILE 47 2HD1 ILE 47 10.256 2.731 4.171
319 H CYS 48 H CYS 48 7.781 5.361 1.632
320 HA CYS 48 HA CYS 48 6.428 4.642 -0.834
321 HB2 CYS 48 2HB CYS 48 4.788 6.231 -0.264
322 HB3 CYS 48 1HB CYS 48 5.105 5.384 1.242
323 H ILE 49 H ILE 49 5.913 6.776 -2.061
324 HA ILE 49 HA ILE 49 8.189 7.891 -3.205
325 HB ILE 49 HB ILE 49 6.064 7.866 -4.347
326 HG12 ILE 49 2HG1 ILE 49 6.929 10.692 -3.817
327 HG13 ILE 49 1HG1 ILE 49 7.727 9.577 -4.929
328 HG21 ILE 49 1HG2 ILE 49 5.078 9.856 -2.297
329 HG22 ILE 49 2HG2 ILE 49 4.531 8.185 -2.477
330 HG23 ILE 49 3HG2 ILE 49 4.215 9.348 -3.744
331 HD11 ILE 49 3HD1 ILE 49 4.886 10.521 -5.173
332 HD12 ILE 49 1HD1 ILE 49 5.743 9.423 -6.242
333 HD13 ILE 49 2HD1 ILE 49 6.257 11.127 -6.120
334 H ASN 50 H ASN 50 6.238 9.161 -0.528
335 HA ASN 50 HA ASN 50 7.641 11.676 -0.353
336 HB2 ASN 50 2HB ASN 50 5.846 10.281 1.633
337 HB3 ASN 50 1HB ASN 50 6.467 11.922 1.821
338 HD21 ASN 50 1HD2 ASN 50 5.560 13.558 0.632
339 HD22 ASN 50 2HD2 ASN 50 4.117 13.348 -0.287
340 H CYS 51 H CYS 51 7.827 8.598 1.264
341 HA CYS 51 HA CYS 51 9.764 9.371 3.202
342 HB2 CYS 51 2HB CYS 51 8.925 6.653 2.176
343 HB3 CYS 51 1HB CYS 51 10.207 6.871 3.340
344 H ALA 52 H ALA 52 9.922 8.430 -0.087
345 HA ALA 52 HA ALA 52 12.706 7.678 0.044
346 HB1 ALA 52 3HB ALA 52 11.177 6.500 -1.439
347 HB2 ALA 52 1HB ALA 52 12.527 7.209 -2.353
348 HB3 ALA 52 2HB ALA 52 10.942 7.983 -2.387
Start of MODEL 13
1 HA SER 1 HA SER 1 -12.527 7.204 3.266
2 HB2 SER 1 2HB SER 1 -12.781 5.317 4.837
3 HB3 SER 1 1HB SER 1 -12.021 4.220 3.682
4 HG SER 1 HG SER 1 -10.735 5.277 5.491
5 H VAL 2 H VAL 2 -10.317 7.534 2.641
6 HA VAL 2 HA VAL 2 -9.621 6.375 0.044
7 HB VAL 2 HB VAL 2 -9.053 9.218 0.957
8 HG11 VAL 2 1HG1 VAL 2 -7.424 8.431 -0.627
9 HG12 VAL 2 2HG1 VAL 2 -8.472 9.642 -1.385
10 HG13 VAL 2 3HG1 VAL 2 -8.701 7.932 -1.736
11 HG21 VAL 2 3HG2 VAL 2 -11.442 9.001 0.647
12 HG22 VAL 2 1HG2 VAL 2 -11.214 8.275 -0.939
13 HG23 VAL 2 2HG2 VAL 2 -10.786 9.957 -0.677
14 H CYS 3 H CYS 3 -7.499 5.536 0.046
15 HA CYS 3 HA CYS 3 -6.061 5.821 2.549
16 HB2 CYS 3 2HB CYS 3 -5.124 3.756 2.084
17 HB3 CYS 3 1HB CYS 3 -6.433 3.611 0.934
18 H ALA 4 H ALA 4 -3.479 5.658 1.849
19 HA ALA 4 HA ALA 4 -3.029 8.243 0.529
20 HB1 ALA 4 1HB ALA 4 -1.214 6.513 2.201
21 HB2 ALA 4 2HB ALA 4 -2.042 7.978 2.741
22 HB3 ALA 4 3HB ALA 4 -0.778 8.071 1.507
23 H ALA 5 H ALA 5 -2.516 8.116 -1.556
24 HA ALA 5 HA ALA 5 -0.200 6.778 -2.462
25 HB1 ALA 5 1HB ALA 5 -1.231 5.293 -4.178
26 HB2 ALA 5 2HB ALA 5 -2.823 5.721 -3.604
27 HB3 ALA 5 3HB ALA 5 -1.744 4.807 -2.570
28 H GLN 6 H GLN 6 0.503 7.734 -4.449
29 HA GLN 6 HA GLN 6 -0.243 10.057 -5.427
30 HB2 GLN 6 2HB GLN 6 0.579 7.638 -7.086
31 HB3 GLN 6 1HB GLN 6 0.739 9.328 -7.560
32 HG2 GLN 6 2HG GLN 6 2.383 9.664 -5.866
33 HG3 GLN 6 1HG GLN 6 2.101 8.041 -5.214
34 HE21 GLN 6 1HE2 GLN 6 2.826 6.222 -6.360
35 HE22 GLN 6 2HE2 GLN 6 3.991 6.371 -7.615
36 H ASN 7 H ASN 7 -1.508 7.105 -6.364
37 HA ASN 7 HA ASN 7 -4.086 8.305 -7.197
38 HB2 ASN 7 2HB ASN 7 -2.878 8.002 -9.312
39 HB3 ASN 7 1HB ASN 7 -2.672 6.282 -8.944
40 HD21 ASN 7 1HD2 ASN 7 -3.725 5.729 -10.871
41 HD22 ASN 7 2HD2 ASN 7 -5.435 5.891 -11.055
42 H CYS 8 H CYS 8 -5.510 7.432 -5.798
43 HA CYS 8 HA CYS 8 -5.127 4.634 -5.246
44 HB2 CYS 8 2HB CYS 8 -5.135 6.005 -3.215
45 HB3 CYS 8 1HB CYS 8 -6.738 6.598 -3.635
46 H GLN 9 H GLN 9 -6.240 3.294 -6.197
47 HA GLN 9 HA GLN 9 -8.556 3.766 -7.816
48 HB2 GLN 9 2HB GLN 9 -7.345 1.195 -6.804
49 HB3 GLN 9 1HB GLN 9 -8.431 1.306 -8.171
50 HG2 GLN 9 2HG GLN 9 -6.707 2.631 -9.383
51 HG3 GLN 9 1HG GLN 9 -5.668 2.488 -7.973
52 HE21 GLN 9 1HE2 GLN 9 -4.074 1.446 -9.119
53 HE22 GLN 9 2HE2 GLN 9 -4.243 -0.184 -9.659
54 H ARG 10 H ARG 10 -8.096 3.322 -4.579
55 HA ARG 10 HA ARG 10 -9.114 2.516 -2.752
56 HB2 ARG 10 2HB ARG 10 -11.584 3.605 -4.079
57 HB3 ARG 10 1HB ARG 10 -11.389 3.295 -2.354
58 HG2 ARG 10 2HG ARG 10 -9.452 4.971 -2.472
59 HG3 ARG 10 1HG ARG 10 -10.105 5.422 -4.047
60 HD2 ARG 10 2HD ARG 10 -11.514 5.565 -1.388
61 HD3 ARG 10 1HD ARG 10 -10.939 6.899 -2.380
62 HE ARG 10 HE ARG 10 -12.634 6.247 -4.011
63 HH11 ARG 10 1HH1 ARG 10 -13.031 5.077 -0.662
64 HH12 ARG 10 2HH1 ARG 10 -14.726 5.039 -0.732
65 HH21 ARG 10 1HH2 ARG 10 -15.021 6.256 -4.037
66 HH22 ARG 10 2HH2 ARG 10 -15.863 5.761 -2.645
67 HA PRO 11 HA PRO 11 -11.013 -1.372 -4.557
68 HB2 PRO 11 2HB PRO 11 -8.518 -2.714 -3.844
69 HB3 PRO 11 1HB PRO 11 -9.339 -2.693 -5.422
70 HG2 PRO 11 2HG PRO 11 -7.011 -1.433 -4.991
71 HG3 PRO 11 1HG PRO 11 -8.240 -0.755 -6.077
72 HD2 PRO 11 2HD PRO 11 -7.619 -0.073 -3.217
73 HD3 PRO 11 1HD PRO 11 -7.878 1.011 -4.591
74 H CYS 12 H CYS 12 -12.090 -2.732 -3.150
75 HA CYS 12 HA CYS 12 -11.014 -3.102 -0.447
76 HB2 CYS 12 2HB CYS 12 -12.731 -1.327 -0.402
77 HB3 CYS 12 1HB CYS 12 -13.867 -2.411 -1.184
78 HG CYS 12 HG CYS 12 -14.060 -4.143 0.971
79 H LYS 13 H LYS 13 -10.714 -5.264 -0.146
80 HA LYS 13 HA LYS 13 -12.808 -7.158 -0.874
81 HB2 LYS 13 2HB LYS 13 -9.935 -7.540 -1.791
82 HB3 LYS 13 1HB LYS 13 -11.234 -8.697 -1.952
83 HG2 LYS 13 2HG LYS 13 -12.376 -7.183 -3.492
84 HG3 LYS 13 1HG LYS 13 -11.029 -6.043 -3.359
85 HD2 LYS 13 2HD LYS 13 -9.511 -7.756 -4.211
86 HD3 LYS 13 1HD LYS 13 -10.866 -8.887 -4.354
87 HE2 LYS 13 2HE LYS 13 -11.924 -7.340 -5.958
88 HE3 LYS 13 1HE LYS 13 -10.522 -6.273 -5.851
89 HZ1 LYS 13 3HZ LYS 13 -9.154 -8.160 -6.664
90 HZ2 LYS 13 1HZ LYS 13 -10.334 -7.729 -7.800
91 HZ3 LYS 13 2HZ LYS 13 -10.574 -9.053 -6.845
92 H ASP 14 H ASP 14 -12.564 -9.190 0.303
93 HA ASP 14 HA ASP 14 -11.465 -9.023 2.902
94 HB2 ASP 14 2HB ASP 14 -12.331 -11.456 1.317
95 HB3 ASP 14 1HB ASP 14 -12.005 -11.451 3.029
96 H LYS 15 H LYS 15 -9.956 -9.672 -0.058
97 HA LYS 15 HA LYS 15 -7.940 -11.388 1.216
98 HB2 LYS 15 2HB LYS 15 -8.943 -11.438 -1.628
99 HB3 LYS 15 1HB LYS 15 -7.616 -12.424 -1.040
100 HG2 LYS 15 2HG LYS 15 -9.144 -13.540 0.534
101 HG3 LYS 15 1HG LYS 15 -10.457 -12.516 -0.024
102 HD2 LYS 15 2HD LYS 15 -10.227 -13.474 -2.284
103 HD3 LYS 15 1HD LYS 15 -8.922 -14.503 -1.705
104 HE2 LYS 15 2HE LYS 15 -10.477 -15.561 -0.105
105 HE3 LYS 15 1HE LYS 15 -11.771 -14.545 -0.689
106 HZ1 LYS 15 3HZ LYS 15 -11.585 -15.571 -2.862
107 HZ2 LYS 15 1HZ LYS 15 -11.844 -16.746 -1.696
108 HZ3 LYS 15 2HZ LYS 15 -10.309 -16.540 -2.338
109 H VAL 16 H VAL 16 -8.083 -8.330 0.703
110 HA VAL 16 HA VAL 16 -5.547 -8.251 -0.731
111 HB VAL 16 HB VAL 16 -7.222 -7.055 -2.064
112 HG11 VAL 16 1HG1 VAL 16 -8.746 -6.461 -0.289
113 HG12 VAL 16 2HG1 VAL 16 -8.301 -5.022 -1.222
114 HG13 VAL 16 3HG1 VAL 16 -7.534 -5.347 0.353
115 HG21 VAL 16 3HG2 VAL 16 -5.361 -5.111 -0.726
116 HG22 VAL 16 1HG2 VAL 16 -6.058 -4.911 -2.319
117 HG23 VAL 16 2HG2 VAL 16 -4.859 -6.202 -2.005
118 H ASP 17 H ASP 17 -4.140 -8.244 0.653
119 HA ASP 17 HA ASP 17 -4.091 -6.825 3.099
120 HB2 ASP 17 2HB ASP 17 -2.777 -8.853 2.779
121 HB3 ASP 17 1HB ASP 17 -1.771 -8.040 1.588
122 H TRP 18 H TRP 18 -2.782 -5.092 3.789
123 HA TRP 18 HA TRP 18 -2.470 -2.964 1.758
124 HB2 TRP 18 2HB TRP 18 -3.320 -2.808 4.652
125 HB3 TRP 18 1HB TRP 18 -3.002 -1.417 3.616
126 HD1 TRP 18 HD TRP 18 -5.217 -4.550 3.019
127 HE1 TRP 18 1HE TRP 18 -7.532 -3.766 2.349
128 HE3 TRP 18 3HE TRP 18 -4.415 0.471 3.384
129 HZ2 TRP 18 2HZ TRP 18 -8.928 -1.235 2.058
130 HZ3 TRP 18 3HZ TRP 18 -6.244 1.996 2.914
131 HH2 TRP 18 HH TRP 18 -8.481 1.163 2.256
132 H VAL 19 H VAL 19 -0.712 -1.222 2.388
133 HA VAL 19 HA VAL 19 1.320 -2.469 3.987
134 HB VAL 19 HB VAL 19 2.994 -1.496 2.338
135 HG11 VAL 19 1HG1 VAL 19 2.463 -3.918 2.326
136 HG12 VAL 19 2HG1 VAL 19 2.800 -3.276 0.715
137 HG13 VAL 19 3HG1 VAL 19 1.143 -3.586 1.195
138 HG21 VAL 19 3HG2 VAL 19 1.516 0.094 1.228
139 HG22 VAL 19 1HG2 VAL 19 0.546 -1.230 0.580
140 HG23 VAL 19 2HG2 VAL 19 2.223 -1.016 0.056
141 H GLN 20 H GLN 20 2.170 -1.138 5.392
142 HA GLN 20 HA GLN 20 1.429 1.699 5.341
143 HB2 GLN 20 2HB GLN 20 0.966 0.450 7.427
144 HB3 GLN 20 1HB GLN 20 2.677 0.044 7.568
145 HG2 GLN 20 2HG GLN 20 3.194 2.448 7.777
146 HG3 GLN 20 1HG GLN 20 1.490 2.815 7.673
147 HE21 GLN 20 1HE2 GLN 20 3.426 3.317 9.789
148 HE22 GLN 20 2HE2 GLN 20 2.751 2.667 11.213
149 H CYS 21 H CYS 21 3.031 3.286 5.153
150 HA CYS 21 HA CYS 21 5.538 2.198 4.222
151 HB2 CYS 21 2HB CYS 21 6.108 4.499 3.368
152 HB3 CYS 21 1HB CYS 21 4.500 4.008 2.916
153 H ASP 22 H ASP 22 7.048 1.638 5.517
154 HA ASP 22 HA ASP 22 7.251 2.553 8.230
155 HB2 ASP 22 2HB ASP 22 9.028 0.707 6.613
156 HB3 ASP 22 1HB ASP 22 9.201 0.994 8.331
157 H GLY 23 H GLY 23 7.886 4.409 5.947
158 HA2 GLY 23 2HA GLY 23 10.730 4.979 6.424
159 HA3 GLY 23 1HA GLY 23 9.724 5.719 5.194
160 H GLY 24 H GLY 24 7.604 6.061 7.440
161 HA2 GLY 24 2HA GLY 24 8.100 7.495 9.558
162 HA3 GLY 24 1HA GLY 24 8.780 8.602 8.388
163 H CYS 25 H CYS 25 6.133 7.469 6.760
164 HA CYS 25 HA CYS 25 4.620 9.860 7.583
165 HB2 CYS 25 2HB CYS 25 3.742 7.878 5.475
166 HB3 CYS 25 1HB CYS 25 3.220 9.542 5.667
167 H ASP 26 H ASP 26 4.622 6.478 7.970
168 HA ASP 26 HA ASP 26 3.309 4.906 8.865
169 HB2 ASP 26 2HB ASP 26 2.367 7.245 10.551
170 HB3 ASP 26 1HB ASP 26 1.805 5.609 10.803
171 H GLU 27 H GLU 27 2.226 6.438 6.520
172 HA GLU 27 HA GLU 27 -0.618 6.175 6.908
173 HB2 GLU 27 2HB GLU 27 0.940 6.965 4.447
174 HB3 GLU 27 1HB GLU 27 -0.810 6.996 4.577
175 HG2 GLU 27 2HG GLU 27 -0.596 8.644 6.403
176 HG3 GLU 27 1HG GLU 27 1.143 8.652 6.136
177 H TRP 28 H TRP 28 -1.878 5.021 5.405
178 HA TRP 28 HA TRP 28 -0.721 2.385 4.770
179 HB2 TRP 28 2HB TRP 28 -3.589 3.066 5.479
180 HB3 TRP 28 1HB TRP 28 -3.067 1.507 4.889
181 HD1 TRP 28 HD TRP 28 -2.446 3.841 7.912
182 HE1 TRP 28 1HE TRP 28 -1.778 2.363 9.924
183 HE3 TRP 28 3HE TRP 28 -2.271 -0.697 5.579
184 HZ2 TRP 28 2HZ TRP 28 -1.261 -0.373 10.445
185 HZ3 TRP 28 3HZ TRP 28 -1.691 -2.689 6.886
186 HH2 TRP 28 HH TRP 28 -1.196 -2.528 9.285
187 H PHE 29 H PHE 29 -0.608 1.711 2.814
188 HA PHE 29 HA PHE 29 -2.003 3.167 0.670
189 HB2 PHE 29 2HB PHE 29 0.730 1.783 0.530
190 HB3 PHE 29 1HB PHE 29 -0.044 2.705 -0.724
191 HD1 PHE 29 1HD PHE 29 0.998 3.187 2.823
192 HD2 PHE 29 2HD PHE 29 0.823 4.838 -1.095
193 HE1 PHE 29 1HE PHE 29 2.236 5.153 3.589
194 HE2 PHE 29 2HE PHE 29 2.051 6.795 -0.335
195 HZ PHE 29 HZ PHE 29 2.773 6.948 2.047
196 H HIS 30 H HIS 30 -2.489 1.818 -1.162
197 HA HIS 30 HA HIS 30 -3.051 -1.030 -0.530
198 HB2 HIS 30 2HB HIS 30 -3.952 0.826 -2.633
199 HB3 HIS 30 1HB HIS 30 -4.203 -0.829 -3.004
200 HD2 HIS 30 2HD HIS 30 -6.100 -1.958 -0.957
201 HE1 HIS 30 1HE HIS 30 -7.989 1.826 -0.718
202 HE2 HIS 30 2HE HIS 30 -8.309 -0.662 -0.624
203 H GLN 31 H GLN 31 -1.965 -2.640 -1.482
204 HA GLN 31 HA GLN 31 0.420 -2.204 -2.811
205 HB2 GLN 31 2HB GLN 31 -1.270 -4.713 -2.792
206 HB3 GLN 31 1HB GLN 31 0.322 -4.587 -3.543
207 HG2 GLN 31 2HG GLN 31 1.334 -4.054 -1.442
208 HG3 GLN 31 1HG GLN 31 -0.230 -4.098 -0.625
209 HE21 GLN 31 1HE2 GLN 31 -1.151 -6.075 -0.192
210 HE22 GLN 31 2HE2 GLN 31 -0.298 -7.558 -0.349
211 H VAL 32 H VAL 32 -2.740 -2.761 -4.291
212 HA VAL 32 HA VAL 32 -1.621 -2.743 -6.930
213 HB VAL 32 HB VAL 32 -3.748 -3.892 -6.500
214 HG11 VAL 32 1HG1 VAL 32 -4.720 -1.121 -6.091
215 HG12 VAL 32 2HG1 VAL 32 -4.621 -2.367 -4.837
216 HG13 VAL 32 3HG1 VAL 32 -5.795 -2.523 -6.178
217 HG21 VAL 32 3HG2 VAL 32 -5.046 -2.940 -8.410
218 HG22 VAL 32 1HG2 VAL 32 -3.310 -3.124 -8.765
219 HG23 VAL 32 2HG2 VAL 32 -3.965 -1.550 -8.300
220 H CYS 33 H CYS 33 -3.047 -0.401 -4.938
221 HA CYS 33 HA CYS 33 -3.271 1.637 -7.014
222 HB2 CYS 33 2HB CYS 33 -4.284 3.101 -5.524
223 HB3 CYS 33 1HB CYS 33 -4.849 1.557 -4.988
224 H VAL 34 H VAL 34 -0.743 0.968 -4.553
225 HA VAL 34 HA VAL 34 0.618 3.310 -5.560
226 HB VAL 34 HB VAL 34 0.325 2.562 -2.952
227 HG11 VAL 34 1HG1 VAL 34 1.045 0.403 -3.146
228 HG12 VAL 34 2HG1 VAL 34 2.050 1.377 -2.061
229 HG13 VAL 34 3HG1 VAL 34 2.625 0.981 -3.687
230 HG21 VAL 34 3HG2 VAL 34 2.829 3.596 -4.166
231 HG22 VAL 34 1HG2 VAL 34 2.311 3.742 -2.466
232 HG23 VAL 34 2HG2 VAL 34 1.346 4.505 -3.741
233 H GLY 35 H GLY 35 0.236 0.382 -6.530
234 HA2 GLY 35 2HA GLY 35 1.450 -1.294 -7.652
235 HA3 GLY 35 1HA GLY 35 2.591 -0.003 -7.980
236 H VAL 36 H VAL 36 1.732 -2.459 -5.465
237 HA VAL 36 HA VAL 36 4.562 -2.934 -4.935
238 HB VAL 36 HB VAL 36 2.170 -2.975 -3.047
239 HG11 VAL 36 1HG1 VAL 36 5.000 -3.909 -2.489
240 HG12 VAL 36 2HG1 VAL 36 3.530 -4.865 -2.583
241 HG13 VAL 36 3HG1 VAL 36 3.720 -3.711 -1.266
242 HG21 VAL 36 3HG2 VAL 36 4.659 -1.282 -3.016
243 HG22 VAL 36 1HG2 VAL 36 3.472 -1.372 -1.702
244 HG23 VAL 36 2HG2 VAL 36 2.972 -0.797 -3.279
245 H SER 37 H SER 37 4.992 -5.357 -4.742
246 HA SER 37 HA SER 37 2.813 -6.872 -5.781
247 HB2 SER 37 2HB SER 37 4.682 -8.473 -6.138
248 HB3 SER 37 1HB SER 37 4.913 -6.948 -6.985
249 HG SER 37 HG SER 37 6.818 -7.333 -5.993
250 HA PRO 38 HA PRO 38 1.956 -8.599 -1.791
251 HB2 PRO 38 2HB PRO 38 1.921 -11.333 -2.345
252 HB3 PRO 38 1HB PRO 38 0.576 -10.211 -2.610
253 HG2 PRO 38 2HG PRO 38 2.667 -11.144 -4.523
254 HG3 PRO 38 1HG PRO 38 0.904 -10.999 -4.771
255 HD2 PRO 38 2HD PRO 38 2.550 -9.156 -5.753
256 HD3 PRO 38 1HD PRO 38 1.043 -8.659 -4.963
257 H GLU 39 H GLU 39 4.713 -9.684 -3.561
258 HA GLU 39 HA GLU 39 5.925 -11.289 -1.530
259 HB2 GLU 39 2HB GLU 39 6.290 -11.595 -3.995
260 HB3 GLU 39 1HB GLU 39 7.098 -10.044 -4.013
261 HG2 GLU 39 2HG GLU 39 8.809 -10.893 -2.540
262 HG3 GLU 39 1HG GLU 39 8.022 -12.459 -2.474
263 H MET 40 H MET 40 5.987 -7.896 -2.520
264 HA MET 40 HA MET 40 8.415 -7.319 -1.119
265 HB2 MET 40 2HB MET 40 7.471 -5.872 -3.151
266 HB3 MET 40 1HB MET 40 6.336 -5.355 -1.999
267 HG2 MET 40 2HG MET 40 7.681 -4.126 -0.743
268 HG3 MET 40 1HG MET 40 9.153 -5.012 -1.165
269 HE1 MET 40 3HE MET 40 6.526 -3.507 -3.722
270 HE2 MET 40 1HE MET 40 7.142 -1.873 -3.943
271 HE3 MET 40 2HE MET 40 6.510 -2.359 -2.370
272 H ALA 41 H ALA 41 4.996 -6.958 -0.547
273 HA ALA 41 HA ALA 41 5.044 -5.503 1.807
274 HB1 ALA 41 1HB ALA 41 3.051 -7.640 1.028
275 HB2 ALA 41 2HB ALA 41 2.989 -5.954 0.532
276 HB3 ALA 41 3HB ALA 41 2.817 -6.386 2.239
277 H GLU 42 H GLU 42 5.203 -8.951 1.334
278 HA GLU 42 HA GLU 42 5.291 -9.496 4.178
279 HB2 GLU 42 2HB GLU 42 5.539 -11.365 1.844
280 HB3 GLU 42 1HB GLU 42 5.531 -11.875 3.517
281 HG2 GLU 42 2HG GLU 42 3.342 -11.004 3.877
282 HG3 GLU 42 1HG GLU 42 3.250 -10.330 2.256
283 H ASN 43 H ASN 43 7.725 -8.947 1.788
284 HA ASN 43 HA ASN 43 9.624 -10.246 3.569
285 HB2 ASN 43 2HB ASN 43 9.780 -9.777 0.614
286 HB3 ASN 43 1HB ASN 43 11.137 -10.275 1.612
287 HD21 ASN 43 1HD2 ASN 43 9.575 -11.643 -0.555
288 HD22 ASN 43 2HD2 ASN 43 9.132 -13.174 0.115
289 H GLU 44 H GLU 44 8.926 -7.058 2.229
290 HA GLU 44 HA GLU 44 11.460 -6.194 3.466
291 HB2 GLU 44 2HB GLU 44 10.532 -5.209 0.760
292 HB3 GLU 44 1HB GLU 44 11.959 -4.699 1.636
293 HG2 GLU 44 2HG GLU 44 12.964 -6.829 1.465
294 HG3 GLU 44 1HG GLU 44 11.538 -7.533 0.717
295 H ASP 45 H ASP 45 11.571 -3.774 3.732
296 HA ASP 45 HA ASP 45 9.139 -2.918 5.040
297 HB2 ASP 45 2HB ASP 45 11.745 -1.367 4.732
298 HB3 ASP 45 1HB ASP 45 10.440 -0.991 5.838
299 H TYR 46 H TYR 46 7.641 -1.920 3.908
300 HA TYR 46 HA TYR 46 8.069 -0.798 1.340
301 HB2 TYR 46 2HB TYR 46 5.914 -1.747 1.621
302 HB3 TYR 46 1HB TYR 46 5.601 -0.801 3.080
303 HD1 TYR 46 2HD TYR 46 6.364 -0.308 -0.574
304 HD2 TYR 46 1HD TYR 46 4.205 0.994 2.846
305 HE1 TYR 46 2HE TYR 46 5.175 1.460 -1.926
306 HE2 TYR 46 1HE TYR 46 3.088 2.725 1.461
307 HH TYR 46 HH TYR 46 3.356 3.889 -0.413
308 H ILE 47 H ILE 47 8.945 0.862 0.891
309 HA ILE 47 HA ILE 47 8.803 3.353 2.493
310 HB ILE 47 HB ILE 47 10.610 2.696 0.130
311 HG12 ILE 47 2HG1 ILE 47 11.192 1.367 2.069
312 HG13 ILE 47 1HG1 ILE 47 12.439 2.557 1.783
313 HG21 ILE 47 1HG2 ILE 47 11.861 4.755 0.754
314 HG22 ILE 47 2HG2 ILE 47 10.582 5.081 1.958
315 HG23 ILE 47 3HG2 ILE 47 10.200 5.056 0.240
316 HD11 ILE 47 3HD1 ILE 47 10.294 2.680 3.897
317 HD12 ILE 47 1HD1 ILE 47 11.480 3.956 3.571
318 HD13 ILE 47 2HD1 ILE 47 12.021 2.370 4.131
319 H CYS 48 H CYS 48 7.797 5.347 1.498
320 HA CYS 48 HA CYS 48 6.347 4.652 -0.923
321 HB2 CYS 48 2HB CYS 48 4.643 6.083 -0.222
322 HB3 CYS 48 1HB CYS 48 5.117 5.280 1.266
323 H ILE 49 H ILE 49 5.772 6.809 -2.026
324 HA ILE 49 HA ILE 49 7.983 8.010 -3.189
325 HB ILE 49 HB ILE 49 5.816 7.970 -4.232
326 HG12 ILE 49 2HG1 ILE 49 6.638 10.797 -3.712
327 HG13 ILE 49 1HG1 ILE 49 7.456 9.722 -4.852
328 HG21 ILE 49 1HG2 ILE 49 4.393 8.247 -2.309
329 HG22 ILE 49 2HG2 ILE 49 3.997 9.455 -3.541
330 HG23 ILE 49 3HG2 ILE 49 4.944 9.909 -2.112
331 HD11 ILE 49 3HD1 ILE 49 5.387 9.514 -6.119
332 HD12 ILE 49 1HD1 ILE 49 5.913 11.202 -6.028
333 HD13 ILE 49 2HD1 ILE 49 4.596 10.603 -4.991
334 H ASN 50 H ASN 50 6.069 9.201 -0.395
335 HA ASN 50 HA ASN 50 7.569 11.668 -0.267
336 HB2 ASN 50 2HB ASN 50 5.709 10.498 1.832
337 HB3 ASN 50 1HB ASN 50 6.354 12.128 1.841
338 HD21 ASN 50 1HD2 ASN 50 3.903 10.032 0.689
339 HD22 ASN 50 2HD2 ASN 50 3.047 11.248 -0.192
340 H CYS 51 H CYS 51 7.823 8.534 1.029
341 HA CYS 51 HA CYS 51 9.680 9.218 3.132
342 HB2 CYS 51 2HB CYS 51 8.864 6.568 1.964
343 HB3 CYS 51 1HB CYS 51 10.164 6.722 3.125
344 H ALA 52 H ALA 52 9.854 8.458 -0.163
345 HA ALA 52 HA ALA 52 12.642 7.694 -0.071
346 HB1 ALA 52 3HB ALA 52 11.182 6.569 -1.594
347 HB2 ALA 52 1HB ALA 52 12.472 7.381 -2.495
348 HB3 ALA 52 2HB ALA 52 10.847 8.084 -2.457
Start of MODEL 14
1 HA SER 1 HA SER 1 -12.776 4.752 3.096
2 HB2 SER 1 2HB SER 1 -14.319 6.080 1.582
3 HB3 SER 1 1HB SER 1 -14.623 6.345 3.290
4 HG SER 1 HG SER 1 -14.470 8.345 2.757
5 H VAL 2 H VAL 2 -10.519 7.238 2.611
6 HA VAL 2 HA VAL 2 -9.722 6.057 0.045
7 HB VAL 2 HB VAL 2 -9.174 8.933 0.865
8 HG11 VAL 2 1HG1 VAL 2 -7.628 8.009 -0.748
9 HG12 VAL 2 2HG1 VAL 2 -8.622 9.269 -1.481
10 HG13 VAL 2 3HG1 VAL 2 -8.967 7.571 -1.808
11 HG21 VAL 2 3HG2 VAL 2 -11.595 8.705 0.614
12 HG22 VAL 2 1HG2 VAL 2 -11.380 7.967 -0.978
13 HG23 VAL 2 2HG2 VAL 2 -10.929 9.651 -0.718
14 H CYS 3 H CYS 3 -7.534 5.393 0.032
15 HA CYS 3 HA CYS 3 -6.207 5.676 2.597
16 HB2 CYS 3 2HB CYS 3 -5.207 3.648 2.139
17 HB3 CYS 3 1HB CYS 3 -6.474 3.490 0.968
18 H ALA 4 H ALA 4 -3.580 5.607 1.953
19 HA ALA 4 HA ALA 4 -3.169 8.193 0.654
20 HB1 ALA 4 1HB ALA 4 -0.901 8.056 1.635
21 HB2 ALA 4 2HB ALA 4 -1.290 6.480 2.300
22 HB3 ALA 4 3HB ALA 4 -2.155 7.907 2.874
23 H ALA 5 H ALA 5 -2.727 8.057 -1.470
24 HA ALA 5 HA ALA 5 -0.402 6.791 -2.442
25 HB1 ALA 5 1HB ALA 5 -3.027 5.577 -3.385
26 HB2 ALA 5 2HB ALA 5 -1.840 4.766 -2.411
27 HB3 ALA 5 3HB ALA 5 -1.450 5.194 -4.072
28 H GLN 6 H GLN 6 0.234 7.850 -4.345
29 HA GLN 6 HA GLN 6 -0.676 10.192 -5.228
30 HB2 GLN 6 2HB GLN 6 0.357 7.977 -7.033
31 HB3 GLN 6 1HB GLN 6 0.452 9.702 -7.336
32 HG2 GLN 6 2HG GLN 6 2.027 9.929 -5.547
33 HG3 GLN 6 1HG GLN 6 1.826 8.224 -5.112
34 HE21 GLN 6 1HE2 GLN 6 2.629 6.601 -6.485
35 HE22 GLN 6 2HE2 GLN 6 3.809 6.971 -7.691
36 H ASN 7 H ASN 7 -1.537 7.167 -6.474
37 HA ASN 7 HA ASN 7 -4.125 8.184 -7.493
38 HB2 ASN 7 2HB ASN 7 -2.338 6.215 -8.947
39 HB3 ASN 7 1HB ASN 7 -4.003 6.498 -9.406
40 HD21 ASN 7 1HD2 ASN 7 -1.531 6.883 -10.939
41 HD22 ASN 7 2HD2 ASN 7 -1.532 8.553 -11.394
42 H CYS 8 H CYS 8 -5.397 7.389 -5.768
43 HA CYS 8 HA CYS 8 -4.946 4.627 -5.234
44 HB2 CYS 8 2HB CYS 8 -5.069 5.961 -3.220
45 HB3 CYS 8 1HB CYS 8 -6.657 6.575 -3.696
46 H GLN 9 H GLN 9 -6.089 3.179 -5.949
47 HA GLN 9 HA GLN 9 -8.308 3.632 -7.743
48 HB2 GLN 9 2HB GLN 9 -7.116 1.055 -6.740
49 HB3 GLN 9 1HB GLN 9 -8.161 1.230 -8.139
50 HG2 GLN 9 2HG GLN 9 -6.445 2.536 -9.284
51 HG3 GLN 9 1HG GLN 9 -5.424 2.437 -7.835
52 HE21 GLN 9 1HE2 GLN 9 -3.773 1.469 -8.898
53 HE22 GLN 9 2HE2 GLN 9 -3.849 -0.167 -9.428
54 H ARG 10 H ARG 10 -8.033 3.188 -4.437
55 HA ARG 10 HA ARG 10 -9.329 2.451 -2.717
56 HB2 ARG 10 2HB ARG 10 -11.269 3.664 -4.629
57 HB3 ARG 10 1HB ARG 10 -11.809 3.030 -3.086
58 HG2 ARG 10 2HG ARG 10 -10.478 4.557 -1.869
59 HG3 ARG 10 1HG ARG 10 -9.577 5.016 -3.309
60 HD2 ARG 10 2HD ARG 10 -12.540 5.535 -2.994
61 HD3 ARG 10 1HD ARG 10 -11.291 6.664 -2.492
62 HE ARG 10 HE ARG 10 -10.889 5.814 -5.141
63 HH11 ARG 10 1HH1 ARG 10 -13.109 7.894 -3.303
64 HH12 ARG 10 2HH1 ARG 10 -13.165 9.130 -4.473
65 HH21 ARG 10 1HH2 ARG 10 -10.951 7.562 -6.768
66 HH22 ARG 10 2HH2 ARG 10 -11.884 8.952 -6.457
67 HA PRO 11 HA PRO 11 -10.981 -1.556 -4.714
68 HB2 PRO 11 2HB PRO 11 -8.454 -2.847 -4.002
69 HB3 PRO 11 1HB PRO 11 -9.287 -2.862 -5.579
70 HG2 PRO 11 2HG PRO 11 -6.978 -1.562 -5.165
71 HG3 PRO 11 1HG PRO 11 -8.211 -0.899 -6.250
72 HD2 PRO 11 2HD PRO 11 -7.578 -0.223 -3.404
73 HD3 PRO 11 1HD PRO 11 -7.876 0.873 -4.761
74 H CYS 12 H CYS 12 -11.933 -3.054 -3.306
75 HA CYS 12 HA CYS 12 -10.816 -3.357 -0.631
76 HB2 CYS 12 2HB CYS 12 -12.500 -1.598 -0.473
77 HB3 CYS 12 1HB CYS 12 -13.690 -2.624 -1.260
78 HG CYS 12 HG CYS 12 -14.302 -2.409 1.435
79 H LYS 13 H LYS 13 -10.441 -5.478 -0.424
80 HA LYS 13 HA LYS 13 -12.565 -7.389 -1.035
81 HB2 LYS 13 2HB LYS 13 -9.688 -7.750 -1.933
82 HB3 LYS 13 1HB LYS 13 -10.914 -8.989 -1.980
83 HG2 LYS 13 2HG LYS 13 -12.164 -7.632 -3.590
84 HG3 LYS 13 1HG LYS 13 -10.853 -6.440 -3.590
85 HD2 LYS 13 2HD LYS 13 -9.298 -8.160 -4.366
86 HD3 LYS 13 1HD LYS 13 -10.593 -9.366 -4.346
87 HE2 LYS 13 2HE LYS 13 -11.783 -8.031 -6.045
88 HE3 LYS 13 1HE LYS 13 -10.435 -6.898 -6.098
89 HZ1 LYS 13 3HZ LYS 13 -10.303 -9.778 -6.771
90 HZ2 LYS 13 1HZ LYS 13 -9.000 -8.721 -6.869
91 HZ3 LYS 13 2HZ LYS 13 -10.323 -8.541 -7.909
92 H ASP 14 H ASP 14 -12.462 -9.247 0.276
93 HA ASP 14 HA ASP 14 -11.321 -8.925 2.832
94 HB2 ASP 14 2HB ASP 14 -12.570 -11.313 1.493
95 HB3 ASP 14 1HB ASP 14 -12.003 -11.343 3.139
96 H LYS 15 H LYS 15 -9.760 -9.770 0.053
97 HA LYS 15 HA LYS 15 -7.816 -11.425 1.515
98 HB2 LYS 15 2HB LYS 15 -8.645 -11.634 -1.375
99 HB3 LYS 15 1HB LYS 15 -7.285 -12.499 -0.695
100 HG2 LYS 15 2HG LYS 15 -8.783 -13.691 0.836
101 HG3 LYS 15 1HG LYS 15 -10.156 -12.791 0.224
102 HD2 LYS 15 2HD LYS 15 -9.785 -13.732 -2.011
103 HD3 LYS 15 1HD LYS 15 -8.398 -14.624 -1.395
104 HE2 LYS 15 2HE LYS 15 -9.820 -15.881 0.104
105 HE3 LYS 15 1HE LYS 15 -11.234 -14.950 -0.402
106 HZ1 LYS 15 3HZ LYS 15 -11.108 -17.115 -1.495
107 HZ2 LYS 15 1HZ LYS 15 -9.590 -16.725 -2.110
108 HZ3 LYS 15 2HZ LYS 15 -10.936 -15.871 -2.632
109 H VAL 16 H VAL 16 -8.082 -8.378 0.568
110 HA VAL 16 HA VAL 16 -5.451 -8.340 -0.680
111 HB VAL 16 HB VAL 16 -7.090 -7.184 -2.091
112 HG11 VAL 16 1HG1 VAL 16 -7.496 -5.415 0.256
113 HG12 VAL 16 2HG1 VAL 16 -8.680 -6.569 -0.372
114 HG13 VAL 16 3HG1 VAL 16 -8.214 -5.151 -1.339
115 HG21 VAL 16 3HG2 VAL 16 -5.294 -5.192 -0.746
116 HG22 VAL 16 1HG2 VAL 16 -5.987 -5.026 -2.345
117 HG23 VAL 16 2HG2 VAL 16 -4.775 -6.294 -2.024
118 H ASP 17 H ASP 17 -4.052 -8.262 0.674
119 HA ASP 17 HA ASP 17 -4.042 -6.828 3.139
120 HB2 ASP 17 2HB ASP 17 -2.703 -8.877 2.765
121 HB3 ASP 17 1HB ASP 17 -1.678 -7.976 1.657
122 H TRP 18 H TRP 18 -2.825 -5.057 3.802
123 HA TRP 18 HA TRP 18 -2.439 -2.972 1.729
124 HB2 TRP 18 2HB TRP 18 -3.342 -2.739 4.609
125 HB3 TRP 18 1HB TRP 18 -3.061 -1.376 3.522
126 HD1 TRP 18 HD TRP 18 -5.177 -4.590 2.994
127 HE1 TRP 18 1HE TRP 18 -7.522 -3.900 2.313
128 HE3 TRP 18 3HE TRP 18 -4.579 0.460 3.304
129 HZ2 TRP 18 2HZ TRP 18 -9.019 -1.441 1.991
130 HZ3 TRP 18 3HZ TRP 18 -6.487 1.909 2.815
131 HH2 TRP 18 HH TRP 18 -8.673 0.977 2.174
132 H VAL 19 H VAL 19 -0.699 -1.232 2.376
133 HA VAL 19 HA VAL 19 1.280 -2.478 4.054
134 HB VAL 19 HB VAL 19 3.020 -1.533 2.481
135 HG11 VAL 19 1HG1 VAL 19 2.449 -3.949 2.407
136 HG12 VAL 19 2HG1 VAL 19 2.825 -3.306 0.802
137 HG13 VAL 19 3HG1 VAL 19 1.154 -3.580 1.263
138 HG21 VAL 19 3HG2 VAL 19 2.357 -0.987 0.180
139 HG22 VAL 19 1HG2 VAL 19 1.608 0.102 1.350
140 HG23 VAL 19 2HG2 VAL 19 0.651 -1.183 0.618
141 H GLN 20 H GLN 20 2.151 -1.176 5.484
142 HA GLN 20 HA GLN 20 1.346 1.645 5.487
143 HB2 GLN 20 2HB GLN 20 0.805 0.284 7.518
144 HB3 GLN 20 1HB GLN 20 2.528 -0.031 7.731
145 HG2 GLN 20 2HG GLN 20 2.929 2.367 8.047
146 HG3 GLN 20 1HG GLN 20 1.226 2.709 7.851
147 HE21 GLN 20 1HE2 GLN 20 2.994 3.246 10.075
148 HE22 GLN 20 2HE2 GLN 20 2.290 2.506 11.443
149 H CYS 21 H CYS 21 2.909 3.246 5.422
150 HA CYS 21 HA CYS 21 5.548 2.231 4.739
151 HB2 CYS 21 2HB CYS 21 6.058 4.512 3.824
152 HB3 CYS 21 1HB CYS 21 4.553 3.894 3.212
153 H ASP 22 H ASP 22 6.895 1.849 6.263
154 HA ASP 22 HA ASP 22 6.713 3.233 8.818
155 HB2 ASP 22 2HB ASP 22 8.403 0.874 7.934
156 HB3 ASP 22 1HB ASP 22 8.471 1.594 9.533
157 H GLY 23 H GLY 23 7.695 4.498 6.397
158 HA2 GLY 23 2HA GLY 23 10.514 5.010 6.978
159 HA3 GLY 23 1HA GLY 23 9.602 5.642 5.615
160 H GLY 24 H GLY 24 7.411 6.230 7.788
161 HA2 GLY 24 2HA GLY 24 7.968 7.900 9.729
162 HA3 GLY 24 1HA GLY 24 8.532 8.869 8.382
163 H CYS 25 H CYS 25 5.877 7.523 6.989
164 HA CYS 25 HA CYS 25 4.250 9.848 7.790
165 HB2 CYS 25 2HB CYS 25 3.462 7.778 5.736
166 HB3 CYS 25 1HB CYS 25 2.846 9.415 5.896
167 H ASP 26 H ASP 26 4.375 6.452 8.157
168 HA ASP 26 HA ASP 26 3.147 4.826 9.124
169 HB2 ASP 26 2HB ASP 26 1.883 7.080 10.744
170 HB3 ASP 26 1HB ASP 26 1.792 5.365 11.091
171 H GLU 27 H GLU 27 2.030 6.376 6.804
172 HA GLU 27 HA GLU 27 -0.801 6.002 7.167
173 HB2 GLU 27 2HB GLU 27 0.760 7.114 4.833
174 HB3 GLU 27 1HB GLU 27 -0.989 6.999 4.859
175 HG2 GLU 27 2HG GLU 27 -1.039 8.445 6.828
176 HG3 GLU 27 1HG GLU 27 0.708 8.587 6.774
177 H TRP 28 H TRP 28 -2.030 4.964 5.460
178 HA TRP 28 HA TRP 28 -0.832 2.335 4.832
179 HB2 TRP 28 2HB TRP 28 -3.731 3.002 5.392
180 HB3 TRP 28 1HB TRP 28 -3.156 1.449 4.833
181 HD1 TRP 28 HD TRP 28 -2.853 3.773 7.904
182 HE1 TRP 28 1HE TRP 28 -2.263 2.291 9.950
183 HE3 TRP 28 3HE TRP 28 -2.251 -0.709 5.542
184 HZ2 TRP 28 2HZ TRP 28 -1.645 -0.408 10.473
185 HZ3 TRP 28 3HZ TRP 28 -1.669 -2.687 6.861
186 HH2 TRP 28 HH TRP 28 -1.373 -2.542 9.300
187 H PHE 29 H PHE 29 -0.649 1.684 2.883
188 HA PHE 29 HA PHE 29 -2.028 3.118 0.699
189 HB2 PHE 29 2HB PHE 29 0.706 1.738 0.575
190 HB3 PHE 29 1HB PHE 29 -0.062 2.713 -0.653
191 HD1 PHE 29 1HD PHE 29 1.025 3.001 2.883
192 HD2 PHE 29 2HD PHE 29 0.723 4.903 -0.906
193 HE1 PHE 29 1HE PHE 29 2.227 4.932 3.754
194 HE2 PHE 29 2HE PHE 29 1.930 6.837 -0.033
195 HZ PHE 29 HZ PHE 29 2.688 6.833 2.345
196 H HIS 30 H HIS 30 -2.579 1.778 -1.065
197 HA HIS 30 HA HIS 30 -3.082 -1.078 -0.423
198 HB2 HIS 30 2HB HIS 30 -3.938 0.724 -2.614
199 HB3 HIS 30 1HB HIS 30 -4.151 -0.962 -2.900
200 HD2 HIS 30 2HD HIS 30 -6.138 -2.027 -0.979
201 HE1 HIS 30 1HE HIS 30 -8.064 1.736 -0.882
202 HE2 HIS 30 2HE HIS 30 -8.355 -0.747 -0.773
203 H GLN 31 H GLN 31 -2.019 -2.691 -1.393
204 HA GLN 31 HA GLN 31 0.430 -2.225 -2.582
205 HB2 GLN 31 2HB GLN 31 -1.312 -4.661 -2.717
206 HB3 GLN 31 1HB GLN 31 0.285 -4.594 -3.475
207 HG2 GLN 31 2HG GLN 31 1.295 -4.105 -1.336
208 HG3 GLN 31 1HG GLN 31 -0.282 -4.199 -0.550
209 HE21 GLN 31 1HE2 GLN 31 -1.182 -6.207 -0.204
210 HE22 GLN 31 2HE2 GLN 31 -0.294 -7.671 -0.431
211 H VAL 32 H VAL 32 -2.630 -2.946 -4.295
212 HA VAL 32 HA VAL 32 -1.403 -2.781 -6.841
213 HB VAL 32 HB VAL 32 -3.517 -4.006 -6.496
214 HG11 VAL 32 1HG1 VAL 32 -5.599 -2.752 -6.224
215 HG12 VAL 32 2HG1 VAL 32 -4.595 -1.280 -6.084
216 HG13 VAL 32 3HG1 VAL 32 -4.485 -2.526 -4.843
217 HG21 VAL 32 3HG2 VAL 32 -2.959 -3.126 -8.729
218 HG22 VAL 32 1HG2 VAL 32 -3.812 -1.647 -8.277
219 HG23 VAL 32 2HG2 VAL 32 -4.713 -3.175 -8.465
220 H CYS 33 H CYS 33 -2.986 -0.527 -4.886
221 HA CYS 33 HA CYS 33 -3.156 1.524 -6.940
222 HB2 CYS 33 2HB CYS 33 -4.330 2.928 -5.466
223 HB3 CYS 33 1HB CYS 33 -4.738 1.348 -4.899
224 H VAL 34 H VAL 34 -0.647 0.777 -4.519
225 HA VAL 34 HA VAL 34 0.713 3.095 -5.571
226 HB VAL 34 HB VAL 34 0.302 2.431 -2.964
227 HG11 VAL 34 1HG1 VAL 34 2.048 1.469 -1.882
228 HG12 VAL 34 2HG1 VAL 34 2.788 1.054 -3.421
229 HG13 VAL 34 3HG1 VAL 34 1.232 0.344 -2.985
230 HG21 VAL 34 3HG2 VAL 34 2.759 3.682 -4.055
231 HG22 VAL 34 1HG2 VAL 34 2.116 3.838 -2.398
232 HG23 VAL 34 2HG2 VAL 34 1.165 4.434 -3.761
233 H GLY 35 H GLY 35 0.351 0.230 -6.627
234 HA2 GLY 35 2HA GLY 35 1.548 -1.275 -7.932
235 HA3 GLY 35 1HA GLY 35 2.776 -0.041 -7.999
236 H VAL 36 H VAL 36 1.807 -1.908 -5.092
237 HA VAL 36 HA VAL 36 4.525 -2.933 -4.870
238 HB VAL 36 HB VAL 36 2.122 -3.039 -3.025
239 HG11 VAL 36 1HG1 VAL 36 4.937 -4.061 -2.464
240 HG12 VAL 36 2HG1 VAL 36 3.475 -4.997 -2.683
241 HG13 VAL 36 3HG1 VAL 36 3.602 -3.933 -1.290
242 HG21 VAL 36 3HG2 VAL 36 3.041 -0.840 -3.215
243 HG22 VAL 36 1HG2 VAL 36 4.659 -1.437 -2.866
244 HG23 VAL 36 2HG2 VAL 36 3.424 -1.518 -1.623
245 H SER 37 H SER 37 4.978 -5.317 -4.825
246 HA SER 37 HA SER 37 2.844 -6.797 -5.967
247 HB2 SER 37 2HB SER 37 4.727 -8.392 -6.328
248 HB3 SER 37 1HB SER 37 4.921 -6.854 -7.165
249 HG SER 37 HG SER 37 6.855 -7.158 -6.188
250 HA PRO 38 HA PRO 38 1.832 -8.641 -2.077
251 HB2 PRO 38 2HB PRO 38 2.228 -11.284 -3.371
252 HB3 PRO 38 1HB PRO 38 0.846 -10.662 -2.459
253 HG2 PRO 38 2HG PRO 38 0.726 -10.786 -5.094
254 HG3 PRO 38 1HG PRO 38 0.062 -9.381 -4.223
255 HD2 PRO 38 2HD PRO 38 2.584 -9.643 -5.789
256 HD3 PRO 38 1HD PRO 38 1.476 -8.272 -5.666
257 H GLU 39 H GLU 39 4.750 -9.984 -3.685
258 HA GLU 39 HA GLU 39 5.679 -11.332 -1.406
259 HB2 GLU 39 2HB GLU 39 6.909 -10.545 -4.014
260 HB3 GLU 39 1HB GLU 39 7.694 -11.519 -2.794
261 HG2 GLU 39 2HG GLU 39 5.830 -13.158 -3.013
262 HG3 GLU 39 1HG GLU 39 5.191 -12.189 -4.329
263 H MET 40 H MET 40 5.933 -8.077 -2.565
264 HA MET 40 HA MET 40 8.369 -7.465 -1.151
265 HB2 MET 40 2HB MET 40 7.389 -6.033 -3.202
266 HB3 MET 40 1HB MET 40 6.303 -5.496 -2.016
267 HG2 MET 40 2HG MET 40 7.700 -4.316 -0.785
268 HG3 MET 40 1HG MET 40 9.145 -5.212 -1.277
269 HE1 MET 40 3HE MET 40 6.500 -2.525 -2.357
270 HE2 MET 40 1HE MET 40 6.447 -3.677 -3.692
271 HE3 MET 40 2HE MET 40 7.096 -2.053 -3.951
272 H ALA 41 H ALA 41 4.962 -7.165 -0.555
273 HA ALA 41 HA ALA 41 4.966 -5.578 1.703
274 HB1 ALA 41 1HB ALA 41 3.054 -7.850 1.060
275 HB2 ALA 41 2HB ALA 41 2.955 -6.214 0.453
276 HB3 ALA 41 3HB ALA 41 2.760 -6.517 2.177
277 H GLU 42 H GLU 42 5.292 -9.042 1.547
278 HA GLU 42 HA GLU 42 5.666 -9.211 4.455
279 HB2 GLU 42 2HB GLU 42 5.569 -11.447 2.482
280 HB3 GLU 42 1HB GLU 42 5.877 -11.675 4.189
281 HG2 GLU 42 2HG GLU 42 3.638 -10.670 4.696
282 HG3 GLU 42 1HG GLU 42 3.296 -10.612 2.977
283 H ASN 43 H ASN 43 7.848 -8.850 1.898
284 HA ASN 43 HA ASN 43 9.910 -10.123 3.528
285 HB2 ASN 43 2HB ASN 43 9.785 -9.761 0.567
286 HB3 ASN 43 1HB ASN 43 11.251 -10.172 1.425
287 HD21 ASN 43 1HD2 ASN 43 9.784 -11.728 -0.548
288 HD22 ASN 43 2HD2 ASN 43 9.380 -13.227 0.230
289 H GLU 44 H GLU 44 9.006 -7.069 2.071
290 HA GLU 44 HA GLU 44 11.587 -6.020 2.967
291 HB2 GLU 44 2HB GLU 44 10.130 -5.327 0.427
292 HB3 GLU 44 1HB GLU 44 11.556 -4.501 1.011
293 HG2 GLU 44 2HG GLU 44 12.901 -6.484 0.733
294 HG3 GLU 44 1HG GLU 44 11.490 -7.428 0.299
295 H ASP 45 H ASP 45 11.531 -3.890 3.652
296 HA ASP 45 HA ASP 45 9.074 -3.145 4.929
297 HB2 ASP 45 2HB ASP 45 11.748 -1.708 4.824
298 HB3 ASP 45 1HB ASP 45 10.417 -1.327 5.912
299 H TYR 46 H TYR 46 7.561 -2.054 3.863
300 HA TYR 46 HA TYR 46 7.993 -0.740 1.413
301 HB2 TYR 46 2HB TYR 46 5.812 -1.708 1.759
302 HB3 TYR 46 1HB TYR 46 5.527 -0.714 3.187
303 HD1 TYR 46 2HD TYR 46 5.917 -0.588 -0.528
304 HD2 TYR 46 1HD TYR 46 4.605 1.444 2.976
305 HE1 TYR 46 2HE TYR 46 4.829 1.218 -1.908
306 HE2 TYR 46 1HE TYR 46 3.596 3.197 1.563
307 HH TYR 46 HH TYR 46 3.200 2.822 -1.704
308 H ILE 47 H ILE 47 8.891 0.913 1.093
309 HA ILE 47 HA ILE 47 8.650 3.349 2.759
310 HB ILE 47 HB ILE 47 10.538 2.816 0.423
311 HG12 ILE 47 2HG1 ILE 47 11.137 1.430 2.342
312 HG13 ILE 47 1HG1 ILE 47 12.332 2.686 2.116
313 HG21 ILE 47 1HG2 ILE 47 10.397 5.112 2.357
314 HG22 ILE 47 2HG2 ILE 47 10.043 5.186 0.622
315 HG23 ILE 47 3HG2 ILE 47 11.699 4.901 1.174
316 HD11 ILE 47 3HD1 ILE 47 11.307 3.965 3.947
317 HD12 ILE 47 1HD1 ILE 47 11.839 2.355 4.455
318 HD13 ILE 47 2HD1 ILE 47 10.122 2.679 4.150
319 H CYS 48 H CYS 48 7.629 5.342 1.742
320 HA CYS 48 HA CYS 48 6.205 4.607 -0.685
321 HB2 CYS 48 2HB CYS 48 4.473 6.026 0.013
322 HB3 CYS 48 1HB CYS 48 4.961 5.224 1.496
323 H ILE 49 H ILE 49 5.588 6.753 -1.800
324 HA ILE 49 HA ILE 49 7.807 7.973 -2.941
325 HB ILE 49 HB ILE 49 5.701 7.941 -4.072
326 HG12 ILE 49 2HG1 ILE 49 6.434 10.766 -3.431
327 HG13 ILE 49 1HG1 ILE 49 7.308 9.732 -4.559
328 HG21 ILE 49 1HG2 ILE 49 3.817 9.367 -3.422
329 HG22 ILE 49 2HG2 ILE 49 4.686 9.778 -1.935
330 HG23 ILE 49 3HG2 ILE 49 4.180 8.110 -2.228
331 HD11 ILE 49 3HD1 ILE 49 5.828 11.208 -5.777
332 HD12 ILE 49 1HD1 ILE 49 4.450 10.608 -4.828
333 HD13 ILE 49 2HD1 ILE 49 5.313 9.517 -5.903
334 H ASN 50 H ASN 50 5.823 9.142 -0.250
335 HA ASN 50 HA ASN 50 7.224 11.657 -0.046
336 HB2 ASN 50 2HB ASN 50 5.277 10.350 1.885
337 HB3 ASN 50 1HB ASN 50 5.940 11.970 2.071
338 HD21 ASN 50 1HD2 ASN 50 5.173 13.626 0.778
339 HD22 ASN 50 2HD2 ASN 50 3.765 13.454 -0.198
340 H CYS 51 H CYS 51 7.510 8.533 1.346
341 HA CYS 51 HA CYS 51 9.353 9.316 3.426
342 HB2 CYS 51 2HB CYS 51 8.643 6.597 2.328
343 HB3 CYS 51 1HB CYS 51 9.923 6.831 3.501
344 H ALA 52 H ALA 52 9.565 8.537 0.151
345 HA ALA 52 HA ALA 52 12.386 7.844 0.254
346 HB1 ALA 52 3HB ALA 52 10.566 8.156 -2.137
347 HB2 ALA 52 1HB ALA 52 10.923 6.660 -1.268
348 HB3 ALA 52 2HB ALA 52 12.221 7.480 -2.139
Start of MODEL 15
1 HA SER 1 HA SER 1 -12.570 4.283 2.692
2 HB2 SER 1 2HB SER 1 -13.568 6.995 1.735
3 HB3 SER 1 1HB SER 1 -14.134 5.425 1.148
4 HG SER 1 HG SER 1 -14.238 6.168 3.879
5 H VAL 2 H VAL 2 -10.393 6.806 2.250
6 HA VAL 2 HA VAL 2 -9.380 5.688 -0.279
7 HB VAL 2 HB VAL 2 -9.354 8.637 0.508
8 HG11 VAL 2 1HG1 VAL 2 -8.585 9.019 -1.791
9 HG12 VAL 2 2HG1 VAL 2 -8.596 7.287 -2.066
10 HG13 VAL 2 3HG1 VAL 2 -7.464 7.982 -0.888
11 HG21 VAL 2 3HG2 VAL 2 -11.629 7.956 -0.048
12 HG22 VAL 2 1HG2 VAL 2 -11.075 7.296 -1.590
13 HG23 VAL 2 2HG2 VAL 2 -10.968 9.026 -1.300
14 H CYS 3 H CYS 3 -7.089 5.391 -0.218
15 HA CYS 3 HA CYS 3 -6.042 5.858 2.460
16 HB2 CYS 3 2HB CYS 3 -4.750 3.936 2.245
17 HB3 CYS 3 1HB CYS 3 -6.096 3.521 1.182
18 H ALA 4 H ALA 4 -3.433 5.758 1.978
19 HA ALA 4 HA ALA 4 -2.942 8.372 0.757
20 HB1 ALA 4 1HB ALA 4 -1.124 6.581 2.410
21 HB2 ALA 4 2HB ALA 4 -1.961 8.019 2.974
22 HB3 ALA 4 3HB ALA 4 -0.675 8.165 1.791
23 H ALA 5 H ALA 5 -2.394 8.313 -1.363
24 HA ALA 5 HA ALA 5 -0.075 6.932 -2.234
25 HB1 ALA 5 1HB ALA 5 -2.687 5.977 -3.496
26 HB2 ALA 5 2HB ALA 5 -1.689 5.022 -2.423
27 HB3 ALA 5 3HB ALA 5 -1.063 5.498 -3.986
28 H GLN 6 H GLN 6 0.791 8.017 -4.039
29 HA GLN 6 HA GLN 6 0.039 10.368 -5.002
30 HB2 GLN 6 2HB GLN 6 2.089 9.067 -5.561
31 HB3 GLN 6 1HB GLN 6 1.162 8.069 -6.641
32 HG2 GLN 6 2HG GLN 6 0.690 10.125 -8.024
33 HG3 GLN 6 1HG GLN 6 1.795 10.996 -6.983
34 HE21 GLN 6 1HE2 GLN 6 3.993 10.586 -7.176
35 HE22 GLN 6 2HE2 GLN 6 4.645 9.701 -8.508
36 H ASN 7 H ASN 7 -0.961 7.359 -6.158
37 HA ASN 7 HA ASN 7 -3.469 8.522 -7.179
38 HB2 ASN 7 2HB ASN 7 -2.021 8.128 -9.137
39 HB3 ASN 7 1HB ASN 7 -1.899 6.428 -8.699
40 HD21 ASN 7 1HD2 ASN 7 -2.771 5.809 -10.699
41 HD22 ASN 7 2HD2 ASN 7 -4.456 5.986 -11.053
42 H CYS 8 H CYS 8 -4.836 7.751 -5.600
43 HA CYS 8 HA CYS 8 -4.533 4.972 -4.976
44 HB2 CYS 8 2HB CYS 8 -4.623 6.387 -2.991
45 HB3 CYS 8 1HB CYS 8 -6.151 7.093 -3.529
46 H GLN 9 H GLN 9 -6.422 3.762 -4.771
47 HA GLN 9 HA GLN 9 -8.435 4.275 -6.882
48 HB2 GLN 9 2HB GLN 9 -7.246 1.610 -6.063
49 HB3 GLN 9 1HB GLN 9 -8.460 1.871 -7.303
50 HG2 GLN 9 2HG GLN 9 -6.830 3.169 -8.630
51 HG3 GLN 9 1HG GLN 9 -5.638 2.910 -7.361
52 HE21 GLN 9 1HE2 GLN 9 -4.240 1.896 -8.780
53 HE22 GLN 9 2HE2 GLN 9 -4.541 0.305 -9.357
54 H ARG 10 H ARG 10 -10.379 2.782 -6.498
55 HA ARG 10 HA ARG 10 -11.111 2.798 -3.642
56 HB2 ARG 10 2HB ARG 10 -12.745 3.292 -6.136
57 HB3 ARG 10 1HB ARG 10 -13.450 3.094 -4.541
58 HG2 ARG 10 2HG ARG 10 -11.372 5.207 -5.060
59 HG3 ARG 10 1HG ARG 10 -13.059 5.469 -5.454
60 HD2 ARG 10 2HD ARG 10 -12.049 4.717 -2.687
61 HD3 ARG 10 1HD ARG 10 -12.486 6.327 -3.228
62 HE ARG 10 HE ARG 10 -14.696 5.334 -3.846
63 HH11 ARG 10 1HH1 ARG 10 -12.929 4.266 -0.950
64 HH12 ARG 10 2HH1 ARG 10 -14.375 3.831 -0.124
65 HH21 ARG 10 1HH2 ARG 10 -16.586 4.721 -2.685
66 HH22 ARG 10 2HH2 ARG 10 -16.452 4.087 -1.105
67 HA PRO 11 HA PRO 11 -11.630 -1.624 -5.292
68 HB2 PRO 11 2HB PRO 11 -9.419 -2.462 -3.655
69 HB3 PRO 11 1HB PRO 11 -9.530 -2.502 -5.433
70 HG2 PRO 11 2HG PRO 11 -7.791 -0.896 -4.086
71 HG3 PRO 11 1HG PRO 11 -8.535 -0.432 -5.625
72 HD2 PRO 11 2HD PRO 11 -9.423 0.314 -2.842
73 HD3 PRO 11 1HD PRO 11 -9.165 1.360 -4.244
74 H CYS 12 H CYS 12 -12.734 -3.188 -4.166
75 HA CYS 12 HA CYS 12 -12.718 -3.073 -1.241
76 HB2 CYS 12 2HB CYS 12 -14.750 -1.942 -2.108
77 HB3 CYS 12 1HB CYS 12 -15.161 -3.422 -2.993
78 HG CYS 12 HG CYS 12 -16.058 -2.536 -0.033
79 H LYS 13 H LYS 13 -11.718 -4.897 -0.693
80 HA LYS 13 HA LYS 13 -12.898 -7.433 -1.329
81 HB2 LYS 13 2HB LYS 13 -9.971 -6.872 -1.886
82 HB3 LYS 13 1HB LYS 13 -10.665 -8.471 -1.724
83 HG2 LYS 13 2HG LYS 13 -12.089 -7.879 -3.710
84 HG3 LYS 13 1HG LYS 13 -11.086 -6.449 -3.896
85 HD2 LYS 13 2HD LYS 13 -9.054 -7.792 -4.061
86 HD3 LYS 13 1HD LYS 13 -9.986 -9.259 -3.778
87 HE2 LYS 13 2HE LYS 13 -9.427 -9.083 -6.107
88 HE3 LYS 13 1HE LYS 13 -11.155 -8.878 -5.933
89 HZ1 LYS 13 3HZ LYS 13 -10.875 -6.476 -6.179
90 HZ2 LYS 13 1HZ LYS 13 -10.175 -7.304 -7.489
91 HZ3 LYS 13 2HZ LYS 13 -9.181 -6.696 -6.286
92 H ASP 14 H ASP 14 -12.271 -8.992 0.191
93 HA ASP 14 HA ASP 14 -11.212 -7.872 2.661
94 HB2 ASP 14 2HB ASP 14 -12.245 -10.665 2.036
95 HB3 ASP 14 1HB ASP 14 -11.607 -10.224 3.598
96 H LYS 15 H LYS 15 -10.468 -10.634 0.448
97 HA LYS 15 HA LYS 15 -7.876 -11.032 1.360
98 HB2 LYS 15 2HB LYS 15 -9.199 -11.753 -1.274
99 HB3 LYS 15 1HB LYS 15 -7.703 -12.437 -0.650
100 HG2 LYS 15 2HG LYS 15 -8.886 -13.523 1.133
101 HG3 LYS 15 1HG LYS 15 -10.367 -12.644 0.735
102 HD2 LYS 15 2HD LYS 15 -10.463 -13.808 -1.436
103 HD3 LYS 15 1HD LYS 15 -8.983 -14.679 -1.019
104 HE2 LYS 15 2HE LYS 15 -10.087 -15.782 0.814
105 HE3 LYS 15 1HE LYS 15 -11.538 -14.803 0.585
106 HZ1 LYS 15 3HZ LYS 15 -10.477 -16.804 -1.347
107 HZ2 LYS 15 1HZ LYS 15 -11.847 -15.836 -1.550
108 HZ3 LYS 15 2HZ LYS 15 -11.814 -16.988 -0.333
109 H VAL 16 H VAL 16 -7.130 -8.810 1.372
110 HA VAL 16 HA VAL 16 -5.435 -8.352 -0.803
111 HB VAL 16 HB VAL 16 -7.332 -7.242 -1.871
112 HG11 VAL 16 1HG1 VAL 16 -8.709 -6.762 0.004
113 HG12 VAL 16 2HG1 VAL 16 -8.383 -5.223 -0.808
114 HG13 VAL 16 3HG1 VAL 16 -7.483 -5.694 0.662
115 HG21 VAL 16 3HG2 VAL 16 -5.067 -6.263 -2.127
116 HG22 VAL 16 1HG2 VAL 16 -5.409 -5.190 -0.782
117 HG23 VAL 16 2HG2 VAL 16 -6.342 -5.037 -2.283
118 H ASP 17 H ASP 17 -3.881 -8.320 0.399
119 HA ASP 17 HA ASP 17 -3.540 -7.070 2.888
120 HB2 ASP 17 2HB ASP 17 -1.466 -8.009 0.908
121 HB3 ASP 17 1HB ASP 17 -1.108 -7.564 2.583
122 H TRP 18 H TRP 18 -2.691 -5.191 3.539
123 HA TRP 18 HA TRP 18 -2.334 -2.991 1.583
124 HB2 TRP 18 2HB TRP 18 -3.119 -2.926 4.518
125 HB3 TRP 18 1HB TRP 18 -2.827 -1.500 3.535
126 HD1 TRP 18 HD TRP 18 -5.131 -4.621 3.077
127 HE1 TRP 18 1HE TRP 18 -7.443 -3.822 2.418
128 HE3 TRP 18 3HE TRP 18 -4.238 0.404 3.139
129 HZ2 TRP 18 2HZ TRP 18 -8.767 -1.325 1.997
130 HZ3 TRP 18 3HZ TRP 18 -6.080 1.935 2.597
131 HH2 TRP 18 HH TRP 18 -8.293 1.097 2.036
132 H VAL 19 H VAL 19 -0.556 -1.229 2.277
133 HA VAL 19 HA VAL 19 1.464 -2.531 3.844
134 HB VAL 19 HB VAL 19 3.176 -1.570 2.266
135 HG11 VAL 19 1HG1 VAL 19 2.609 -3.936 2.147
136 HG12 VAL 19 2HG1 VAL 19 2.960 -3.279 0.559
137 HG13 VAL 19 3HG1 VAL 19 1.292 -3.576 1.034
138 HG21 VAL 19 3HG2 VAL 19 2.489 -0.959 -0.021
139 HG22 VAL 19 1HG2 VAL 19 1.788 0.118 1.184
140 HG23 VAL 19 2HG2 VAL 19 0.794 -1.140 0.450
141 H GLN 20 H GLN 20 2.334 -1.265 5.291
142 HA GLN 20 HA GLN 20 1.609 1.572 5.304
143 HB2 GLN 20 2HB GLN 20 1.071 0.363 7.358
144 HB3 GLN 20 1HB GLN 20 2.761 -0.147 7.516
145 HG2 GLN 20 2HG GLN 20 3.424 2.172 7.809
146 HG3 GLN 20 1HG GLN 20 1.746 2.686 7.630
147 HE21 GLN 20 1HE2 GLN 20 3.614 3.085 9.889
148 HE22 GLN 20 2HE2 GLN 20 2.835 2.432 11.257
149 H CYS 21 H CYS 21 3.155 3.180 5.213
150 HA CYS 21 HA CYS 21 5.772 2.171 4.468
151 HB2 CYS 21 2HB CYS 21 6.289 4.480 3.613
152 HB3 CYS 21 1HB CYS 21 4.753 3.902 3.031
153 H ASP 22 H ASP 22 7.012 1.644 5.968
154 HA ASP 22 HA ASP 22 6.936 2.809 8.624
155 HB2 ASP 22 2HB ASP 22 8.409 0.460 7.416
156 HB3 ASP 22 1HB ASP 22 8.779 1.054 9.036
157 H GLY 23 H GLY 23 7.934 4.325 6.320
158 HA2 GLY 23 2HA GLY 23 10.739 4.748 6.990
159 HA3 GLY 23 1HA GLY 23 9.889 5.493 5.625
160 H GLY 24 H GLY 24 7.609 5.986 7.687
161 HA2 GLY 24 2HA GLY 24 8.121 7.510 9.780
162 HA3 GLY 24 1HA GLY 24 8.724 8.561 8.538
163 H CYS 25 H CYS 25 6.105 7.367 6.948
164 HA CYS 25 HA CYS 25 4.511 9.674 7.850
165 HB2 CYS 25 2HB CYS 25 3.689 7.730 5.681
166 HB3 CYS 25 1HB CYS 25 3.119 9.369 5.941
167 H ASP 26 H ASP 26 4.611 6.271 8.137
168 HA ASP 26 HA ASP 26 3.298 4.647 9.064
169 HB2 ASP 26 2HB ASP 26 2.198 6.984 10.629
170 HB3 ASP 26 1HB ASP 26 1.863 5.310 11.007
171 H GLU 27 H GLU 27 2.274 6.156 6.721
172 HA GLU 27 HA GLU 27 -0.581 5.884 7.077
173 HB2 GLU 27 2HB GLU 27 0.993 6.840 4.697
174 HB3 GLU 27 1HB GLU 27 -0.749 6.884 4.849
175 HG2 GLU 27 2HG GLU 27 -0.544 8.329 6.812
176 HG3 GLU 27 1HG GLU 27 1.194 8.386 6.606
177 H TRP 28 H TRP 28 -1.774 4.797 5.508
178 HA TRP 28 HA TRP 28 -0.497 2.253 4.711
179 HB2 TRP 28 2HB TRP 28 -3.375 2.747 5.482
180 HB3 TRP 28 1HB TRP 28 -2.783 1.236 4.817
181 HD1 TRP 28 HD TRP 28 -2.266 3.459 7.957
182 HE1 TRP 28 1HE TRP 28 -1.563 1.915 9.889
183 HE3 TRP 28 3HE TRP 28 -1.885 -0.945 5.401
184 HZ2 TRP 28 2HZ TRP 28 -0.961 -0.797 10.285
185 HZ3 TRP 28 3HZ TRP 28 -1.241 -2.961 6.612
186 HH2 TRP 28 HH TRP 28 -0.785 -2.899 9.017
187 H PHE 29 H PHE 29 -0.520 1.567 2.744
188 HA PHE 29 HA PHE 29 -1.940 3.128 0.692
189 HB2 PHE 29 2HB PHE 29 0.755 1.717 0.447
190 HB3 PHE 29 1HB PHE 29 -0.021 2.714 -0.764
191 HD1 PHE 29 1HD PHE 29 1.161 3.004 2.772
192 HD2 PHE 29 2HD PHE 29 0.811 4.888 -1.031
193 HE1 PHE 29 1HE PHE 29 2.401 4.903 3.601
194 HE2 PHE 29 2HE PHE 29 2.072 6.799 -0.180
195 HZ PHE 29 HZ PHE 29 2.866 6.787 2.193
196 H HIS 30 H HIS 30 -2.425 1.878 -1.187
197 HA HIS 30 HA HIS 30 -3.154 -0.959 -0.652
198 HB2 HIS 30 2HB HIS 30 -3.848 0.990 -2.773
199 HB3 HIS 30 1HB HIS 30 -4.183 -0.643 -3.169
200 HD2 HIS 30 2HD HIS 30 -6.328 -1.702 -1.365
201 HE1 HIS 30 1HE HIS 30 -7.950 2.185 -0.952
202 HE2 HIS 30 2HE HIS 30 -8.277 -0.264 -0.497
203 H GLN 31 H GLN 31 -1.993 -2.617 -1.588
204 HA GLN 31 HA GLN 31 0.389 -2.148 -2.934
205 HB2 GLN 31 2HB GLN 31 -1.283 -4.673 -3.010
206 HB3 GLN 31 1HB GLN 31 0.310 -4.535 -3.715
207 HG2 GLN 31 2HG GLN 31 1.250 -4.072 -1.495
208 HG3 GLN 31 1HG GLN 31 -0.349 -4.246 -0.783
209 HE21 GLN 31 1HE2 GLN 31 -1.227 -6.268 -0.588
210 HE22 GLN 31 2HE2 GLN 31 -0.343 -7.728 -0.847
211 H VAL 32 H VAL 32 -2.789 -2.518 -4.313
212 HA VAL 32 HA VAL 32 -1.794 -2.557 -6.994
213 HB VAL 32 HB VAL 32 -3.986 -3.591 -6.515
214 HG11 VAL 32 1HG1 VAL 32 -5.904 -2.202 -5.929
215 HG12 VAL 32 2HG1 VAL 32 -4.765 -0.815 -5.905
216 HG13 VAL 32 3HG1 VAL 32 -4.590 -2.093 -4.729
217 HG21 VAL 32 3HG2 VAL 32 -3.591 -2.693 -8.772
218 HG22 VAL 32 1HG2 VAL 32 -4.226 -1.147 -8.216
219 HG23 VAL 32 2HG2 VAL 32 -5.309 -2.527 -8.314
220 H CYS 33 H CYS 33 -3.021 -0.184 -4.948
221 HA CYS 33 HA CYS 33 -3.111 1.919 -6.995
222 HB2 CYS 33 2HB CYS 33 -4.145 3.338 -5.544
223 HB3 CYS 33 1HB CYS 33 -4.657 1.796 -4.966
224 H VAL 34 H VAL 34 -0.678 1.019 -4.595
225 HA VAL 34 HA VAL 34 0.810 3.305 -5.550
226 HB VAL 34 HB VAL 34 0.426 2.545 -2.967
227 HG11 VAL 34 1HG1 VAL 34 2.757 1.025 -3.660
228 HG12 VAL 34 2HG1 VAL 34 1.196 0.411 -3.115
229 HG13 VAL 34 3HG1 VAL 34 2.203 1.426 -2.036
230 HG21 VAL 34 3HG2 VAL 34 2.949 3.652 -4.102
231 HG22 VAL 34 1HG2 VAL 34 2.351 3.801 -2.427
232 HG23 VAL 34 2HG2 VAL 34 1.419 4.505 -3.759
233 H GLY 35 H GLY 35 0.302 0.390 -6.578
234 HA2 GLY 35 2HA GLY 35 1.451 -1.344 -7.647
235 HA3 GLY 35 1HA GLY 35 2.630 -0.104 -8.002
236 H VAL 36 H VAL 36 1.723 -2.449 -5.403
237 HA VAL 36 HA VAL 36 4.552 -2.969 -4.897
238 HB VAL 36 HB VAL 36 2.170 -2.995 -3.003
239 HG11 VAL 36 1HG1 VAL 36 3.422 -4.916 -2.471
240 HG12 VAL 36 2HG1 VAL 36 3.735 -3.718 -1.229
241 HG13 VAL 36 3HG1 VAL 36 4.961 -4.071 -2.481
242 HG21 VAL 36 3HG2 VAL 36 4.708 -1.390 -2.994
243 HG22 VAL 36 1HG2 VAL 36 3.525 -1.427 -1.681
244 HG23 VAL 36 2HG2 VAL 36 3.040 -0.853 -3.268
245 H SER 37 H SER 37 5.065 -5.430 -4.658
246 HA SER 37 HA SER 37 2.991 -7.006 -5.805
247 HB2 SER 37 2HB SER 37 4.946 -8.514 -6.125
248 HB3 SER 37 1HB SER 37 5.159 -6.983 -6.963
249 HG SER 37 HG SER 37 7.037 -7.501 -5.809
250 HA PRO 38 HA PRO 38 1.962 -8.847 -1.962
251 HB2 PRO 38 2HB PRO 38 2.383 -11.557 -2.552
252 HB3 PRO 38 1HB PRO 38 0.894 -10.641 -2.873
253 HG2 PRO 38 2HG PRO 38 3.206 -11.182 -4.706
254 HG3 PRO 38 1HG PRO 38 1.463 -11.304 -5.064
255 HD2 PRO 38 2HD PRO 38 2.818 -9.239 -5.892
256 HD3 PRO 38 1HD PRO 38 1.265 -8.921 -5.119
257 H GLU 39 H GLU 39 4.915 -10.330 -3.492
258 HA GLU 39 HA GLU 39 5.979 -11.327 -1.221
259 HB2 GLU 39 2HB GLU 39 7.345 -10.275 -3.662
260 HB3 GLU 39 1HB GLU 39 8.024 -11.315 -2.419
261 HG2 GLU 39 2HG GLU 39 6.356 -13.022 -2.991
262 HG3 GLU 39 1HG GLU 39 5.805 -12.012 -4.335
263 H MET 40 H MET 40 6.099 -7.998 -2.459
264 HA MET 40 HA MET 40 8.372 -7.305 -0.883
265 HB2 MET 40 2HB MET 40 7.490 -5.963 -3.006
266 HB3 MET 40 1HB MET 40 6.342 -5.364 -1.866
267 HG2 MET 40 2HG MET 40 7.728 -4.246 -0.596
268 HG3 MET 40 1HG MET 40 9.188 -5.130 -1.066
269 HE1 MET 40 3HE MET 40 6.457 -3.239 -3.353
270 HE2 MET 40 1HE MET 40 7.205 -1.653 -3.414
271 HE3 MET 40 2HE MET 40 6.644 -2.273 -1.863
272 H ALA 41 H ALA 41 4.899 -6.946 -0.472
273 HA ALA 41 HA ALA 41 4.842 -5.471 1.893
274 HB1 ALA 41 1HB ALA 41 2.855 -5.924 0.498
275 HB2 ALA 41 2HB ALA 41 2.572 -6.403 2.161
276 HB3 ALA 41 3HB ALA 41 2.919 -7.616 0.947
277 H GLU 42 H GLU 42 4.864 -8.920 1.462
278 HA GLU 42 HA GLU 42 4.814 -9.529 4.290
279 HB2 GLU 42 2HB GLU 42 5.399 -11.384 1.990
280 HB3 GLU 42 1HB GLU 42 5.050 -11.854 3.642
281 HG2 GLU 42 2HG GLU 42 2.814 -10.912 3.462
282 HG3 GLU 42 1HG GLU 42 3.153 -10.399 1.805
283 H ASN 43 H ASN 43 7.422 -8.714 2.230
284 HA ASN 43 HA ASN 43 9.228 -10.164 4.028
285 HB2 ASN 43 2HB ASN 43 9.479 -9.810 1.075
286 HB3 ASN 43 1HB ASN 43 10.794 -10.329 2.112
287 HD21 ASN 43 1HD2 ASN 43 7.780 -11.119 0.735
288 HD22 ASN 43 2HD2 ASN 43 7.861 -12.814 1.111
289 H GLU 44 H GLU 44 8.997 -7.096 2.206
290 HA GLU 44 HA GLU 44 11.432 -6.370 3.634
291 HB2 GLU 44 2HB GLU 44 11.037 -5.880 0.672
292 HB3 GLU 44 1HB GLU 44 12.377 -5.272 1.631
293 HG2 GLU 44 2HG GLU 44 13.068 -7.543 2.167
294 HG3 GLU 44 1HG GLU 44 11.723 -8.201 1.246
295 H ASP 45 H ASP 45 11.972 -3.909 3.277
296 HA ASP 45 HA ASP 45 9.986 -2.561 4.750
297 HB2 ASP 45 2HB ASP 45 12.342 -1.300 3.352
298 HB3 ASP 45 1HB ASP 45 11.487 -0.692 4.746
299 H TYR 46 H TYR 46 8.165 -1.849 3.807
300 HA TYR 46 HA TYR 46 8.271 -0.703 1.184
301 HB2 TYR 46 2HB TYR 46 6.200 -1.823 1.579
302 HB3 TYR 46 1HB TYR 46 5.900 -0.935 3.080
303 HD1 TYR 46 2HD TYR 46 6.209 -0.570 -0.620
304 HD2 TYR 46 1HD TYR 46 4.683 1.062 2.991
305 HE1 TYR 46 2HE TYR 46 4.884 1.158 -1.910
306 HE2 TYR 46 1HE TYR 46 3.446 2.739 1.708
307 HH TYR 46 HH TYR 46 3.474 3.798 -0.352
308 H ILE 47 H ILE 47 9.211 0.965 0.938
309 HA ILE 47 HA ILE 47 8.907 3.349 2.670
310 HB ILE 47 HB ILE 47 10.761 2.945 0.269
311 HG12 ILE 47 2HG1 ILE 47 11.397 1.419 2.070
312 HG13 ILE 47 1HG1 ILE 47 12.599 2.691 1.913
313 HG21 ILE 47 1HG2 ILE 47 10.747 5.090 2.383
314 HG22 ILE 47 2HG2 ILE 47 10.299 5.307 0.683
315 HG23 ILE 47 3HG2 ILE 47 11.964 4.931 1.115
316 HD11 ILE 47 3HD1 ILE 47 10.445 2.505 4.018
317 HD12 ILE 47 1HD1 ILE 47 11.620 3.826 3.884
318 HD13 ILE 47 2HD1 ILE 47 12.172 2.194 4.232
319 H CYS 48 H CYS 48 7.896 5.386 1.685
320 HA CYS 48 HA CYS 48 6.409 4.673 -0.709
321 HB2 CYS 48 2HB CYS 48 4.756 6.209 -0.019
322 HB3 CYS 48 1HB CYS 48 5.200 5.356 1.442
323 H ILE 49 H ILE 49 5.859 6.808 -1.858
324 HA ILE 49 HA ILE 49 8.078 7.911 -3.081
325 HB ILE 49 HB ILE 49 5.943 7.897 -4.158
326 HG12 ILE 49 2HG1 ILE 49 6.752 10.733 -3.647
327 HG13 ILE 49 1HG1 ILE 49 7.576 9.620 -4.756
328 HG21 ILE 49 1HG2 ILE 49 4.978 9.809 -2.047
329 HG22 ILE 49 2HG2 ILE 49 4.447 8.153 -2.315
330 HG23 ILE 49 3HG2 ILE 49 4.120 9.397 -3.535
331 HD11 ILE 49 3HD1 ILE 49 5.610 9.429 -6.075
332 HD12 ILE 49 1HD1 ILE 49 6.079 11.124 -5.966
333 HD13 ILE 49 2HD1 ILE 49 4.701 10.493 -5.023
334 H ASN 50 H ASN 50 6.195 9.184 -0.361
335 HA ASN 50 HA ASN 50 7.642 11.653 -0.197
336 HB2 ASN 50 2HB ASN 50 5.741 10.338 1.755
337 HB3 ASN 50 1HB ASN 50 6.430 11.955 1.947
338 HD21 ASN 50 1HD2 ASN 50 5.667 13.620 0.735
339 HD22 ASN 50 2HD2 ASN 50 4.230 13.509 -0.210
340 H CYS 51 H CYS 51 7.766 8.580 1.484
341 HA CYS 51 HA CYS 51 9.626 9.319 3.484
342 HB2 CYS 51 2HB CYS 51 8.913 6.616 2.347
343 HB3 CYS 51 1HB CYS 51 10.193 6.797 3.527
344 H ALA 52 H ALA 52 10.054 8.515 0.186
345 HA ALA 52 HA ALA 52 12.867 7.819 0.484
346 HB1 ALA 52 3HB ALA 52 11.270 8.165 -2.044
347 HB2 ALA 52 1HB ALA 52 11.510 6.636 -1.180
348 HB3 ALA 52 2HB ALA 52 12.887 7.452 -1.899
Start of MODEL 16
1 HA SER 1 HA SER 1 -13.182 5.609 3.263
2 HB2 SER 1 2HB SER 1 -12.776 8.602 2.879
3 HB3 SER 1 1HB SER 1 -14.046 7.632 2.118
4 HG SER 1 HG SER 1 -13.857 7.491 4.883
5 H VAL 2 H VAL 2 -10.248 7.466 2.759
6 HA VAL 2 HA VAL 2 -9.703 6.019 0.285
7 HB VAL 2 HB VAL 2 -9.140 8.991 0.767
8 HG11 VAL 2 1HG1 VAL 2 -7.386 7.913 -0.527
9 HG12 VAL 2 2HG1 VAL 2 -8.348 9.008 -1.549
10 HG13 VAL 2 3HG1 VAL 2 -8.594 7.268 -1.650
11 HG21 VAL 2 3HG2 VAL 2 -11.031 7.701 -1.192
12 HG22 VAL 2 1HG2 VAL 2 -10.685 9.429 -1.060
13 HG23 VAL 2 2HG2 VAL 2 -11.501 8.572 0.264
14 H CYS 3 H CYS 3 -7.485 5.307 0.187
15 HA CYS 3 HA CYS 3 -6.114 5.486 2.750
16 HB2 CYS 3 2HB CYS 3 -4.959 3.587 2.080
17 HB3 CYS 3 1HB CYS 3 -6.387 3.408 1.052
18 H ALA 4 H ALA 4 -3.504 5.501 2.147
19 HA ALA 4 HA ALA 4 -3.088 8.075 0.849
20 HB1 ALA 4 1HB ALA 4 -1.243 6.339 2.501
21 HB2 ALA 4 2HB ALA 4 -2.028 7.817 3.055
22 HB3 ALA 4 3HB ALA 4 -0.801 7.877 1.801
23 H ALA 5 H ALA 5 -2.684 7.919 -1.272
24 HA ALA 5 HA ALA 5 -0.364 6.603 -2.221
25 HB1 ALA 5 1HB ALA 5 -1.879 4.613 -2.331
26 HB2 ALA 5 2HB ALA 5 -1.432 5.130 -3.933
27 HB3 ALA 5 3HB ALA 5 -3.014 5.534 -3.304
28 H GLN 6 H GLN 6 0.374 7.780 -4.010
29 HA GLN 6 HA GLN 6 -0.562 10.121 -4.819
30 HB2 GLN 6 2HB GLN 6 1.571 8.968 -5.484
31 HB3 GLN 6 1HB GLN 6 0.654 7.991 -6.607
32 HG2 GLN 6 2HG GLN 6 0.037 10.232 -7.726
33 HG3 GLN 6 1HG GLN 6 1.278 10.908 -6.700
34 HE21 GLN 6 1HE2 GLN 6 3.436 10.398 -7.066
35 HE22 GLN 6 2HE2 GLN 6 3.917 9.632 -8.543
36 H ASN 7 H ASN 7 -1.325 7.074 -6.135
37 HA ASN 7 HA ASN 7 -3.842 8.095 -7.367
38 HB2 ASN 7 2HB ASN 7 -2.126 5.868 -8.506
39 HB3 ASN 7 1HB ASN 7 -3.653 6.421 -9.181
40 HD21 ASN 7 1HD2 ASN 7 -1.031 6.301 -10.392
41 HD22 ASN 7 2HD2 ASN 7 -0.608 7.915 -10.843
42 H CYS 8 H CYS 8 -5.438 7.316 -5.919
43 HA CYS 8 HA CYS 8 -5.051 4.531 -5.331
44 HB2 CYS 8 2HB CYS 8 -5.138 5.807 -3.261
45 HB3 CYS 8 1HB CYS 8 -6.736 6.418 -3.687
46 H GLN 9 H GLN 9 -6.213 3.119 -6.027
47 HA GLN 9 HA GLN 9 -8.455 3.582 -7.809
48 HB2 GLN 9 2HB GLN 9 -7.267 1.001 -6.795
49 HB3 GLN 9 1HB GLN 9 -8.350 1.119 -8.154
50 HG2 GLN 9 2HG GLN 9 -6.635 2.445 -9.370
51 HG3 GLN 9 1HG GLN 9 -5.586 2.279 -7.973
52 HE21 GLN 9 1HE2 GLN 9 -4.024 1.235 -9.162
53 HE22 GLN 9 2HE2 GLN 9 -4.223 -0.388 -9.711
54 H ARG 10 H ARG 10 -8.183 3.346 -4.540
55 HA ARG 10 HA ARG 10 -9.436 2.802 -2.725
56 HB2 ARG 10 2HB ARG 10 -11.650 3.508 -4.661
57 HB3 ARG 10 1HB ARG 10 -11.878 3.316 -2.928
58 HG2 ARG 10 2HG ARG 10 -10.395 5.151 -2.483
59 HG3 ARG 10 1HG ARG 10 -10.050 5.349 -4.198
60 HD2 ARG 10 2HD ARG 10 -11.722 6.970 -3.443
61 HD3 ARG 10 1HD ARG 10 -12.410 5.856 -4.620
62 HE ARG 10 HE ARG 10 -12.748 5.178 -1.824
63 HH11 ARG 10 1HH1 ARG 10 -14.161 6.592 -4.696
64 HH12 ARG 10 2HH1 ARG 10 -15.782 6.497 -4.227
65 HH21 ARG 10 1HH2 ARG 10 -15.021 4.999 -1.057
66 HH22 ARG 10 2HH2 ARG 10 -16.294 5.559 -2.030
67 HA PRO 11 HA PRO 11 -10.941 -1.383 -4.579
68 HB2 PRO 11 2HB PRO 11 -8.433 -2.646 -3.818
69 HB3 PRO 11 1HB PRO 11 -9.217 -2.625 -5.413
70 HG2 PRO 11 2HG PRO 11 -6.912 -1.305 -4.917
71 HG3 PRO 11 1HG PRO 11 -8.154 -0.679 -6.024
72 HD2 PRO 11 2HD PRO 11 -7.656 0.043 -3.149
73 HD3 PRO 11 1HD PRO 11 -7.904 1.122 -4.534
74 H CYS 12 H CYS 12 -12.081 -2.622 -3.214
75 HA CYS 12 HA CYS 12 -11.085 -3.081 -0.503
76 HB2 CYS 12 2HB CYS 12 -12.880 -1.378 -0.500
77 HB3 CYS 12 1HB CYS 12 -13.899 -2.476 -1.410
78 HG CYS 12 HG CYS 12 -14.823 -3.822 0.550
79 H LYS 13 H LYS 13 -10.953 -5.241 -0.062
80 HA LYS 13 HA LYS 13 -12.855 -7.117 -1.186
81 HB2 LYS 13 2HB LYS 13 -9.858 -7.418 -1.522
82 HB3 LYS 13 1HB LYS 13 -11.028 -8.681 -1.843
83 HG2 LYS 13 2HG LYS 13 -11.964 -7.247 -3.635
84 HG3 LYS 13 1HG LYS 13 -10.632 -6.110 -3.365
85 HD2 LYS 13 2HD LYS 13 -9.007 -7.849 -3.865
86 HD3 LYS 13 1HD LYS 13 -10.279 -9.040 -4.069
87 HE2 LYS 13 2HE LYS 13 -9.560 -8.340 -6.237
88 HE3 LYS 13 1HE LYS 13 -11.164 -7.694 -5.955
89 HZ1 LYS 13 3HZ LYS 13 -10.142 -5.534 -5.440
90 HZ2 LYS 13 1HZ LYS 13 -9.738 -6.063 -6.983
91 HZ3 LYS 13 2HZ LYS 13 -8.599 -6.190 -5.801
92 H ASP 14 H ASP 14 -12.668 -9.191 -0.059
93 HA ASP 14 HA ASP 14 -11.996 -8.952 2.725
94 HB2 ASP 14 2HB ASP 14 -12.687 -11.425 1.113
95 HB3 ASP 14 1HB ASP 14 -12.577 -11.357 2.862
96 H LYS 15 H LYS 15 -10.297 -9.627 -0.062
97 HA LYS 15 HA LYS 15 -8.116 -10.863 1.416
98 HB2 LYS 15 2HB LYS 15 -8.995 -11.703 -1.372
99 HB3 LYS 15 1HB LYS 15 -7.619 -12.336 -0.492
100 HG2 LYS 15 2HG LYS 15 -9.237 -13.287 1.193
101 HG3 LYS 15 1HG LYS 15 -10.544 -12.697 0.172
102 HD2 LYS 15 2HD LYS 15 -9.722 -14.064 -1.688
103 HD3 LYS 15 1HD LYS 15 -8.427 -14.671 -0.675
104 HE2 LYS 15 2HE LYS 15 -10.186 -16.314 -0.767
105 HE3 LYS 15 1HE LYS 15 -10.136 -15.634 0.861
106 HZ1 LYS 15 3HZ LYS 15 -12.065 -14.190 0.166
107 HZ2 LYS 15 1HZ LYS 15 -12.403 -15.851 0.086
108 HZ3 LYS 15 2HZ LYS 15 -12.051 -15.009 -1.300
109 H VAL 16 H VAL 16 -7.045 -8.831 1.468
110 HA VAL 16 HA VAL 16 -5.420 -8.248 -0.704
111 HB VAL 16 HB VAL 16 -7.354 -7.122 -1.741
112 HG11 VAL 16 1HG1 VAL 16 -8.663 -6.685 0.235
113 HG12 VAL 16 2HG1 VAL 16 -8.392 -5.177 -0.662
114 HG13 VAL 16 3HG1 VAL 16 -7.416 -5.570 0.787
115 HG21 VAL 16 3HG2 VAL 16 -5.103 -6.132 -2.012
116 HG22 VAL 16 1HG2 VAL 16 -5.416 -5.107 -0.624
117 HG23 VAL 16 2HG2 VAL 16 -6.369 -4.901 -2.083
118 H ASP 17 H ASP 17 -3.849 -8.212 0.500
119 HA ASP 17 HA ASP 17 -3.470 -7.002 3.005
120 HB2 ASP 17 2HB ASP 17 -1.291 -7.526 1.008
121 HB3 ASP 17 1HB ASP 17 -1.161 -7.514 2.760
122 H TRP 18 H TRP 18 -2.688 -5.080 3.646
123 HA TRP 18 HA TRP 18 -2.320 -2.906 1.681
124 HB2 TRP 18 2HB TRP 18 -3.052 -2.848 4.625
125 HB3 TRP 18 1HB TRP 18 -2.772 -1.432 3.635
126 HD1 TRP 18 HD TRP 18 -5.066 -4.529 3.048
127 HE1 TRP 18 1HE TRP 18 -7.411 -3.695 2.561
128 HE3 TRP 18 3HE TRP 18 -4.198 0.457 3.521
129 HZ2 TRP 18 2HZ TRP 18 -8.753 -1.207 2.408
130 HZ3 TRP 18 3HZ TRP 18 -6.072 2.023 3.195
131 HH2 TRP 18 HH TRP 18 -8.306 1.206 2.650
132 H VAL 19 H VAL 19 -0.551 -1.255 2.303
133 HA VAL 19 HA VAL 19 1.454 -2.519 3.949
134 HB VAL 19 HB VAL 19 3.227 -1.658 2.421
135 HG11 VAL 19 1HG1 VAL 19 1.309 -3.577 1.116
136 HG12 VAL 19 2HG1 VAL 19 2.624 -3.983 2.228
137 HG13 VAL 19 3HG1 VAL 19 2.984 -3.319 0.632
138 HG21 VAL 19 3HG2 VAL 19 2.687 -0.991 0.142
139 HG22 VAL 19 1HG2 VAL 19 1.974 0.102 1.318
140 HG23 VAL 19 2HG2 VAL 19 0.964 -1.103 0.490
141 H GLN 20 H GLN 20 2.374 -1.193 5.348
142 HA GLN 20 HA GLN 20 1.538 1.607 5.367
143 HB2 GLN 20 2HB GLN 20 1.059 0.328 7.397
144 HB3 GLN 20 1HB GLN 20 2.756 -0.132 7.549
145 HG2 GLN 20 2HG GLN 20 3.359 2.176 7.924
146 HG3 GLN 20 1HG GLN 20 1.674 2.697 7.748
147 HE21 GLN 20 1HE2 GLN 20 3.494 3.076 9.977
148 HE22 GLN 20 2HE2 GLN 20 2.804 2.314 11.318
149 H CYS 21 H CYS 21 3.074 3.227 5.223
150 HA CYS 21 HA CYS 21 5.734 2.235 4.634
151 HB2 CYS 21 2HB CYS 21 6.240 4.482 3.678
152 HB3 CYS 21 1HB CYS 21 4.748 3.861 3.039
153 H ASP 22 H ASP 22 6.854 1.824 6.293
154 HA ASP 22 HA ASP 22 6.517 3.332 8.750
155 HB2 ASP 22 2HB ASP 22 7.963 0.754 8.131
156 HB3 ASP 22 1HB ASP 22 8.163 1.554 9.679
157 H GLY 23 H GLY 23 7.800 4.402 6.399
158 HA2 GLY 23 2HA GLY 23 10.595 4.770 7.218
159 HA3 GLY 23 1HA GLY 23 9.916 5.253 5.672
160 H GLY 24 H GLY 24 7.615 6.235 7.856
161 HA2 GLY 24 2HA GLY 24 8.401 8.277 9.330
162 HA3 GLY 24 1HA GLY 24 8.721 8.931 7.742
163 H CYS 25 H CYS 25 6.107 7.550 6.721
164 HA CYS 25 HA CYS 25 4.420 9.795 7.629
165 HB2 CYS 25 2HB CYS 25 3.601 7.785 5.544
166 HB3 CYS 25 1HB CYS 25 3.019 9.427 5.760
167 H ASP 26 H ASP 26 4.673 6.344 7.760
168 HA ASP 26 HA ASP 26 3.474 4.649 8.665
169 HB2 ASP 26 2HB ASP 26 2.558 6.859 10.534
170 HB3 ASP 26 1HB ASP 26 2.188 5.161 10.783
171 H GLU 27 H GLU 27 2.242 6.312 6.554
172 HA GLU 27 HA GLU 27 -0.570 5.954 7.052
173 HB2 GLU 27 2HB GLU 27 0.916 7.097 4.675
174 HB3 GLU 27 1HB GLU 27 -0.842 6.950 4.738
175 HG2 GLU 27 2HG GLU 27 -0.862 8.370 6.740
176 HG3 GLU 27 1HG GLU 27 0.884 8.573 6.627
177 H TRP 28 H TRP 28 -1.888 4.858 5.460
178 HA TRP 28 HA TRP 28 -0.666 2.263 4.763
179 HB2 TRP 28 2HB TRP 28 -3.539 2.845 5.495
180 HB3 TRP 28 1HB TRP 28 -2.973 1.306 4.875
181 HD1 TRP 28 HD TRP 28 -2.535 3.551 7.965
182 HE1 TRP 28 1HE TRP 28 -1.751 2.036 9.945
183 HE3 TRP 28 3HE TRP 28 -1.898 -0.861 5.449
184 HZ2 TRP 28 2HZ TRP 28 -1.019 -0.626 10.348
185 HZ3 TRP 28 3HZ TRP 28 -1.172 -2.815 6.678
186 HH2 TRP 28 HH TRP 28 -0.721 -2.703 9.113
187 H PHE 29 H PHE 29 -0.557 1.563 2.828
188 HA PHE 29 HA PHE 29 -1.981 2.981 0.657
189 HB2 PHE 29 2HB PHE 29 0.699 1.535 0.528
190 HB3 PHE 29 1HB PHE 29 -0.053 2.486 -0.731
191 HD1 PHE 29 1HD PHE 29 1.189 2.832 2.731
192 HD2 PHE 29 2HD PHE 29 0.684 4.705 -1.037
193 HE1 PHE 29 1HE PHE 29 2.417 4.767 3.539
194 HE2 PHE 29 2HE PHE 29 1.917 6.661 -0.232
195 HZ PHE 29 HZ PHE 29 2.803 6.666 2.109
196 H HIS 30 H HIS 30 -2.584 1.638 -1.090
197 HA HIS 30 HA HIS 30 -3.079 -1.195 -0.448
198 HB2 HIS 30 2HB HIS 30 -4.016 0.624 -2.599
199 HB3 HIS 30 1HB HIS 30 -4.302 -1.040 -2.874
200 HD2 HIS 30 2HD HIS 30 -6.150 -2.062 -0.738
201 HE1 HIS 30 1HE HIS 30 -7.980 1.748 -0.518
202 HE2 HIS 30 2HE HIS 30 -8.307 -0.756 -0.374
203 H GLN 31 H GLN 31 -2.054 -2.800 -1.533
204 HA GLN 31 HA GLN 31 0.379 -2.282 -2.718
205 HB2 GLN 31 2HB GLN 31 -1.306 -4.765 -2.895
206 HB3 GLN 31 1HB GLN 31 0.296 -4.667 -3.611
207 HG2 GLN 31 2HG GLN 31 1.252 -4.201 -1.440
208 HG3 GLN 31 1HG GLN 31 -0.345 -4.268 -0.704
209 HE21 GLN 31 1HE2 GLN 31 -1.323 -6.250 -0.440
210 HE22 GLN 31 2HE2 GLN 31 -0.501 -7.743 -0.618
211 H VAL 32 H VAL 32 -2.676 -2.943 -4.373
212 HA VAL 32 HA VAL 32 -1.430 -2.825 -6.917
213 HB VAL 32 HB VAL 32 -3.531 -4.052 -6.645
214 HG11 VAL 32 1HG1 VAL 32 -5.655 -2.796 -6.328
215 HG12 VAL 32 2HG1 VAL 32 -4.629 -1.339 -6.150
216 HG13 VAL 32 3HG1 VAL 32 -4.514 -2.625 -4.960
217 HG21 VAL 32 3HG2 VAL 32 -4.766 -3.141 -8.582
218 HG22 VAL 32 1HG2 VAL 32 -2.996 -3.155 -8.854
219 HG23 VAL 32 2HG2 VAL 32 -3.805 -1.659 -8.361
220 H CYS 33 H CYS 33 -3.024 -0.579 -4.952
221 HA CYS 33 HA CYS 33 -3.233 1.523 -6.961
222 HB2 CYS 33 2HB CYS 33 -4.391 2.859 -5.428
223 HB3 CYS 33 1HB CYS 33 -4.785 1.279 -4.895
224 H VAL 34 H VAL 34 -0.747 0.828 -4.513
225 HA VAL 34 HA VAL 34 0.577 3.218 -5.466
226 HB VAL 34 HB VAL 34 0.241 2.409 -2.894
227 HG11 VAL 34 1HG1 VAL 34 2.683 1.002 -3.570
228 HG12 VAL 34 2HG1 VAL 34 1.144 0.281 -3.137
229 HG13 VAL 34 3HG1 VAL 34 2.019 1.281 -1.964
230 HG21 VAL 34 3HG2 VAL 34 2.741 3.585 -3.981
231 HG22 VAL 34 1HG2 VAL 34 2.097 3.765 -2.330
232 HG23 VAL 34 2HG2 VAL 34 1.186 4.422 -3.694
233 H GLY 35 H GLY 35 0.294 0.339 -6.586
234 HA2 GLY 35 2HA GLY 35 1.594 -1.243 -7.744
235 HA3 GLY 35 1HA GLY 35 2.753 0.055 -7.937
236 H VAL 36 H VAL 36 1.729 -2.472 -5.508
237 HA VAL 36 HA VAL 36 4.518 -3.049 -4.976
238 HB VAL 36 HB VAL 36 2.093 -3.086 -3.127
239 HG11 VAL 36 1HG1 VAL 36 3.590 -3.899 -1.347
240 HG12 VAL 36 2HG1 VAL 36 4.873 -4.148 -2.556
241 HG13 VAL 36 3HG1 VAL 36 3.375 -5.037 -2.661
242 HG21 VAL 36 3HG2 VAL 36 4.626 -1.462 -3.038
243 HG22 VAL 36 1HG2 VAL 36 3.454 -1.576 -1.718
244 HG23 VAL 36 2HG2 VAL 36 2.943 -0.906 -3.242
245 H SER 37 H SER 37 4.864 -5.467 -4.898
246 HA SER 37 HA SER 37 2.636 -6.904 -5.975
247 HB2 SER 37 2HB SER 37 4.436 -8.562 -6.438
248 HB3 SER 37 1HB SER 37 4.718 -7.014 -7.227
249 HG SER 37 HG SER 37 6.625 -7.741 -6.216
250 HA PRO 38 HA PRO 38 1.727 -8.822 -2.046
251 HB2 PRO 38 2HB PRO 38 1.748 -11.518 -2.829
252 HB3 PRO 38 1HB PRO 38 0.355 -10.430 -2.966
253 HG2 PRO 38 2HG PRO 38 2.415 -11.155 -4.990
254 HG3 PRO 38 1HG PRO 38 0.647 -11.003 -5.208
255 HD2 PRO 38 2HD PRO 38 2.286 -9.109 -6.063
256 HD3 PRO 38 1HD PRO 38 0.817 -8.631 -5.195
257 H GLU 39 H GLU 39 4.463 -9.836 -3.839
258 HA GLU 39 HA GLU 39 5.638 -11.559 -1.906
259 HB2 GLU 39 2HB GLU 39 5.970 -11.686 -4.370
260 HB3 GLU 39 1HB GLU 39 6.872 -10.183 -4.278
261 HG2 GLU 39 2HG GLU 39 8.501 -11.263 -2.850
262 HG3 GLU 39 1HG GLU 39 7.626 -12.787 -2.967
263 H MET 40 H MET 40 5.793 -8.155 -2.735
264 HA MET 40 HA MET 40 8.214 -7.614 -1.302
265 HB2 MET 40 2HB MET 40 7.283 -6.134 -3.309
266 HB3 MET 40 1HB MET 40 6.179 -5.615 -2.102
267 HG2 MET 40 2HG MET 40 7.573 -4.460 -0.860
268 HG3 MET 40 1HG MET 40 9.024 -5.348 -1.317
269 HE1 MET 40 3HE MET 40 6.471 -2.527 -2.289
270 HE2 MET 40 1HE MET 40 6.355 -3.552 -3.721
271 HE3 MET 40 2HE MET 40 7.113 -1.964 -3.830
272 H ALA 41 H ALA 41 4.793 -7.281 -0.685
273 HA ALA 41 HA ALA 41 4.810 -5.676 1.565
274 HB1 ALA 41 1HB ALA 41 2.783 -6.287 0.323
275 HB2 ALA 41 2HB ALA 41 2.568 -6.596 2.050
276 HB3 ALA 41 3HB ALA 41 2.902 -7.928 0.941
277 H GLU 42 H GLU 42 5.012 -9.131 1.492
278 HA GLU 42 HA GLU 42 5.533 -9.137 4.361
279 HB2 GLU 42 2HB GLU 42 5.521 -11.484 2.493
280 HB3 GLU 42 1HB GLU 42 5.933 -11.642 4.189
281 HG2 GLU 42 2HG GLU 42 3.698 -10.715 4.764
282 HG3 GLU 42 1HG GLU 42 3.274 -10.762 3.044
283 H ASN 43 H ASN 43 7.660 -9.893 1.480
284 HA ASN 43 HA ASN 43 9.779 -10.612 3.151
285 HB2 ASN 43 2HB ASN 43 9.636 -10.059 0.203
286 HB3 ASN 43 1HB ASN 43 11.083 -10.620 1.020
287 HD21 ASN 43 1HD2 ASN 43 9.444 -11.844 -1.065
288 HD22 ASN 43 2HD2 ASN 43 8.967 -13.390 -0.455
289 H GLU 44 H GLU 44 8.960 -7.438 1.697
290 HA GLU 44 HA GLU 44 11.525 -6.591 2.752
291 HB2 GLU 44 2HB GLU 44 10.575 -5.859 -0.030
292 HB3 GLU 44 1HB GLU 44 11.985 -5.165 0.777
293 HG2 GLU 44 2HG GLU 44 13.016 -7.398 0.908
294 HG3 GLU 44 1HG GLU 44 11.629 -8.097 0.093
295 H ASP 45 H ASP 45 11.826 -4.197 2.807
296 HA ASP 45 HA ASP 45 9.694 -3.167 4.465
297 HB2 ASP 45 2HB ASP 45 12.109 -3.101 5.083
298 HB3 ASP 45 1HB ASP 45 12.388 -1.987 3.754
299 H TYR 46 H TYR 46 8.104 -2.044 3.601
300 HA TYR 46 HA TYR 46 8.348 -0.708 1.073
301 HB2 TYR 46 2HB TYR 46 6.224 -1.788 1.433
302 HB3 TYR 46 1HB TYR 46 5.960 -0.874 2.921
303 HD1 TYR 46 2HD TYR 46 5.994 -0.676 -0.785
304 HD2 TYR 46 1HD TYR 46 5.074 1.369 2.840
305 HE1 TYR 46 2HE TYR 46 4.751 1.129 -2.041
306 HE2 TYR 46 1HE TYR 46 3.895 3.095 1.530
307 HH TYR 46 HH TYR 46 3.083 2.696 -1.589
308 H ILE 47 H ILE 47 9.263 0.945 0.856
309 HA ILE 47 HA ILE 47 8.893 3.329 2.578
310 HB ILE 47 HB ILE 47 10.858 2.982 0.275
311 HG12 ILE 47 2HG1 ILE 47 11.459 1.510 2.157
312 HG13 ILE 47 1HG1 ILE 47 12.629 2.817 1.972
313 HG21 ILE 47 1HG2 ILE 47 10.537 5.135 2.355
314 HG22 ILE 47 2HG2 ILE 47 10.349 5.337 0.594
315 HG23 ILE 47 3HG2 ILE 47 11.937 5.025 1.293
316 HD11 ILE 47 3HD1 ILE 47 11.576 4.000 3.840
317 HD12 ILE 47 1HD1 ILE 47 12.150 2.404 4.337
318 HD13 ILE 47 2HD1 ILE 47 10.428 2.673 4.035
319 H CYS 48 H CYS 48 7.974 5.404 1.537
320 HA CYS 48 HA CYS 48 6.487 4.626 -0.854
321 HB2 CYS 48 2HB CYS 48 4.706 5.967 -0.135
322 HB3 CYS 48 1HB CYS 48 5.235 5.199 1.351
323 H ILE 49 H ILE 49 5.741 6.789 -1.913
324 HA ILE 49 HA ILE 49 7.825 8.104 -3.163
325 HB ILE 49 HB ILE 49 5.651 7.935 -4.110
326 HG12 ILE 49 2HG1 ILE 49 6.213 10.842 -3.583
327 HG13 ILE 49 1HG1 ILE 49 7.119 9.853 -4.721
328 HG21 ILE 49 1HG2 ILE 49 4.638 9.750 -1.916
329 HG22 ILE 49 2HG2 ILE 49 4.250 8.037 -2.140
330 HG23 ILE 49 3HG2 ILE 49 3.704 9.216 -3.310
331 HD11 ILE 49 3HD1 ILE 49 5.120 9.481 -5.987
332 HD12 ILE 49 1HD1 ILE 49 5.432 11.205 -5.862
333 HD13 ILE 49 2HD1 ILE 49 4.161 10.453 -4.891
334 H ASN 50 H ASN 50 6.006 9.153 -0.282
335 HA ASN 50 HA ASN 50 7.378 11.681 -0.135
336 HB2 ASN 50 2HB ASN 50 5.448 10.360 1.782
337 HB3 ASN 50 1HB ASN 50 6.121 11.975 1.991
338 HD21 ASN 50 1HD2 ASN 50 5.368 13.642 0.721
339 HD22 ASN 50 2HD2 ASN 50 3.965 13.483 -0.268
340 H CYS 51 H CYS 51 7.696 8.558 1.292
341 HA CYS 51 HA CYS 51 9.455 9.358 3.438
342 HB2 CYS 51 2HB CYS 51 8.836 6.659 2.260
343 HB3 CYS 51 1HB CYS 51 10.076 6.856 3.468
344 H ALA 52 H ALA 52 9.848 8.577 0.172
345 HA ALA 52 HA ALA 52 12.661 7.933 0.436
346 HB1 ALA 52 3HB ALA 52 11.038 8.302 -2.091
347 HB2 ALA 52 1HB ALA 52 11.325 6.789 -1.218
348 HB3 ALA 52 2HB ALA 52 12.682 7.641 -1.977
Start of MODEL 17
1 HA SER 1 HA SER 1 -12.756 5.190 3.374
2 HB2 SER 1 2HB SER 1 -13.860 7.477 1.703
3 HB3 SER 1 1HB SER 1 -14.314 5.777 1.560
4 HG SER 1 HG SER 1 -14.554 7.021 4.043
5 H VAL 2 H VAL 2 -10.511 7.485 2.507
6 HA VAL 2 HA VAL 2 -9.674 5.955 0.137
7 HB VAL 2 HB VAL 2 -9.266 8.934 0.573
8 HG11 VAL 2 1HG1 VAL 2 -7.546 7.848 -0.784
9 HG12 VAL 2 2HG1 VAL 2 -8.518 8.956 -1.760
10 HG13 VAL 2 3HG1 VAL 2 -8.815 7.211 -1.839
11 HG21 VAL 2 3HG2 VAL 2 -10.925 9.315 -1.206
12 HG22 VAL 2 1HG2 VAL 2 -11.629 8.475 0.181
13 HG23 VAL 2 2HG2 VAL 2 -11.219 7.571 -1.277
14 H CYS 3 H CYS 3 -7.485 5.443 0.046
15 HA CYS 3 HA CYS 3 -6.091 5.549 2.591
16 HB2 CYS 3 2HB CYS 3 -4.829 3.779 1.747
17 HB3 CYS 3 1HB CYS 3 -6.324 3.565 0.828
18 H ALA 4 H ALA 4 -3.493 5.665 1.972
19 HA ALA 4 HA ALA 4 -3.047 8.270 0.685
20 HB1 ALA 4 1HB ALA 4 -1.194 6.467 2.283
21 HB2 ALA 4 2HB ALA 4 -1.938 7.958 2.873
22 HB3 ALA 4 3HB ALA 4 -0.732 8.012 1.610
23 H ALA 5 H ALA 5 -2.736 8.085 -1.483
24 HA ALA 5 HA ALA 5 -0.428 6.866 -2.519
25 HB1 ALA 5 1HB ALA 5 -1.433 5.267 -4.124
26 HB2 ALA 5 2HB ALA 5 -3.036 5.604 -3.502
27 HB3 ALA 5 3HB ALA 5 -1.850 4.783 -2.493
28 H GLN 6 H GLN 6 0.177 8.100 -4.309
29 HA GLN 6 HA GLN 6 -1.090 10.363 -5.075
30 HB2 GLN 6 2HB GLN 6 0.609 8.572 -6.837
31 HB3 GLN 6 1HB GLN 6 0.321 10.276 -7.108
32 HG2 GLN 6 2HG GLN 6 1.801 9.081 -4.762
33 HG3 GLN 6 1HG GLN 6 2.538 9.825 -6.173
34 HE21 GLN 6 1HE2 GLN 6 0.892 10.408 -3.164
35 HE22 GLN 6 2HE2 GLN 6 1.168 12.114 -3.164
36 H ASN 7 H ASN 7 -1.372 7.221 -6.535
37 HA ASN 7 HA ASN 7 -3.910 8.071 -7.783
38 HB2 ASN 7 2HB ASN 7 -2.264 7.589 -9.540
39 HB3 ASN 7 1HB ASN 7 -2.018 5.972 -8.876
40 HD21 ASN 7 1HD2 ASN 7 -4.116 8.052 -10.659
41 HD22 ASN 7 2HD2 ASN 7 -5.176 6.812 -11.239
42 H CYS 8 H CYS 8 -5.426 7.347 -6.360
43 HA CYS 8 HA CYS 8 -5.046 4.572 -5.738
44 HB2 CYS 8 2HB CYS 8 -5.148 5.881 -3.678
45 HB3 CYS 8 1HB CYS 8 -6.746 6.495 -4.154
46 H GLN 9 H GLN 9 -6.159 3.190 -6.550
47 HA GLN 9 HA GLN 9 -8.390 3.660 -8.331
48 HB2 GLN 9 2HB GLN 9 -7.242 1.099 -7.258
49 HB3 GLN 9 1HB GLN 9 -8.210 1.223 -8.709
50 HG2 GLN 9 2HG GLN 9 -6.357 2.647 -9.678
51 HG3 GLN 9 1HG GLN 9 -5.431 2.290 -8.243
52 HE21 GLN 9 1HE2 GLN 9 -3.816 1.254 -9.362
53 HE22 GLN 9 2HE2 GLN 9 -4.041 -0.304 -10.064
54 H ARG 10 H ARG 10 -8.027 3.368 -5.142
55 HA ARG 10 HA ARG 10 -9.043 2.621 -3.284
56 HB2 ARG 10 2HB ARG 10 -10.383 4.665 -4.181
57 HB3 ARG 10 1HB ARG 10 -11.640 3.496 -4.522
58 HG2 ARG 10 2HG ARG 10 -11.634 2.817 -2.147
59 HG3 ARG 10 1HG ARG 10 -10.453 4.093 -1.822
60 HD2 ARG 10 2HD ARG 10 -12.531 5.027 -1.241
61 HD3 ARG 10 1HD ARG 10 -12.153 5.680 -2.823
62 HE ARG 10 HE ARG 10 -13.660 3.294 -3.039
63 HH11 ARG 10 1HH1 ARG 10 -13.945 6.779 -2.694
64 HH12 ARG 10 2HH1 ARG 10 -15.638 6.826 -2.948
65 HH21 ARG 10 1HH2 ARG 10 -16.042 3.365 -3.399
66 HH22 ARG 10 2HH2 ARG 10 -16.833 4.851 -3.310
67 HA PRO 11 HA PRO 11 -10.706 -1.401 -5.058
68 HB2 PRO 11 2HB PRO 11 -8.300 -2.501 -3.789
69 HB3 PRO 11 1HB PRO 11 -8.850 -2.700 -5.448
70 HG2 PRO 11 2HG PRO 11 -6.703 -1.211 -4.950
71 HG3 PRO 11 1HG PRO 11 -7.926 -0.671 -6.138
72 HD2 PRO 11 2HD PRO 11 -7.633 0.092 -3.268
73 HD3 PRO 11 1HD PRO 11 -7.717 1.162 -4.695
74 H CYS 12 H CYS 12 -12.127 -2.490 -3.808
75 HA CYS 12 HA CYS 12 -11.532 -2.748 -0.957
76 HB2 CYS 12 2HB CYS 12 -13.326 -1.083 -1.339
77 HB3 CYS 12 1HB CYS 12 -14.236 -2.267 -2.248
78 HG CYS 12 HG CYS 12 -13.424 -2.744 1.051
79 H LYS 13 H LYS 13 -10.883 -4.795 -0.830
80 HA LYS 13 HA LYS 13 -12.808 -6.870 -1.383
81 HB2 LYS 13 2HB LYS 13 -9.880 -6.989 -2.250
82 HB3 LYS 13 1HB LYS 13 -10.944 -8.390 -2.173
83 HG2 LYS 13 2HG LYS 13 -12.396 -7.311 -3.867
84 HG3 LYS 13 1HG LYS 13 -11.243 -5.998 -4.000
85 HD2 LYS 13 2HD LYS 13 -9.522 -7.570 -4.737
86 HD3 LYS 13 1HD LYS 13 -10.676 -8.905 -4.582
87 HE2 LYS 13 2HE LYS 13 -12.117 -7.849 -6.278
88 HE3 LYS 13 1HE LYS 13 -10.954 -6.539 -6.441
89 HZ1 LYS 13 3HZ LYS 13 -10.780 -8.201 -8.178
90 HZ2 LYS 13 1HZ LYS 13 -10.412 -9.398 -7.070
91 HZ3 LYS 13 2HZ LYS 13 -9.340 -8.114 -7.332
92 H ASP 14 H ASP 14 -12.286 -8.777 -0.005
93 HA ASP 14 HA ASP 14 -11.331 -7.743 2.498
94 HB2 ASP 14 2HB ASP 14 -12.476 -10.469 1.841
95 HB3 ASP 14 1HB ASP 14 -11.980 -9.964 3.451
96 H LYS 15 H LYS 15 -10.251 -10.511 0.368
97 HA LYS 15 HA LYS 15 -8.086 -11.132 1.989
98 HB2 LYS 15 2HB LYS 15 -8.712 -11.748 -0.889
99 HB3 LYS 15 1HB LYS 15 -7.430 -12.497 0.050
100 HG2 LYS 15 2HG LYS 15 -9.140 -13.435 1.545
101 HG3 LYS 15 1HG LYS 15 -10.382 -12.687 0.527
102 HD2 LYS 15 2HD LYS 15 -9.641 -13.977 -1.382
103 HD3 LYS 15 1HD LYS 15 -8.317 -14.665 -0.434
104 HE2 LYS 15 2HE LYS 15 -10.000 -15.684 1.077
105 HE3 LYS 15 1HE LYS 15 -11.274 -15.047 0.042
106 HZ1 LYS 15 3HZ LYS 15 -9.180 -16.981 -0.780
107 HZ2 LYS 15 1HZ LYS 15 -10.393 -16.388 -1.786
108 HZ3 LYS 15 2HZ LYS 15 -10.766 -17.359 -0.452
109 H VAL 16 H VAL 16 -8.137 -8.218 0.825
110 HA VAL 16 HA VAL 16 -5.565 -8.401 -0.582
111 HB VAL 16 HB VAL 16 -7.179 -7.214 -1.956
112 HG11 VAL 16 1HG1 VAL 16 -8.207 -5.112 -1.211
113 HG12 VAL 16 2HG1 VAL 16 -7.394 -5.331 0.350
114 HG13 VAL 16 3HG1 VAL 16 -8.646 -6.469 -0.151
115 HG21 VAL 16 3HG2 VAL 16 -5.243 -5.259 -0.741
116 HG22 VAL 16 1HG2 VAL 16 -5.968 -5.110 -2.335
117 HG23 VAL 16 2HG2 VAL 16 -4.828 -6.428 -2.006
118 H ASP 17 H ASP 17 -4.004 -8.251 0.624
119 HA ASP 17 HA ASP 17 -3.837 -6.878 3.119
120 HB2 ASP 17 2HB ASP 17 -2.480 -8.859 2.643
121 HB3 ASP 17 1HB ASP 17 -1.560 -7.945 1.445
122 H TRP 18 H TRP 18 -2.634 -5.097 3.758
123 HA TRP 18 HA TRP 18 -2.344 -2.993 1.699
124 HB2 TRP 18 2HB TRP 18 -3.165 -2.743 4.619
125 HB3 TRP 18 1HB TRP 18 -2.873 -1.404 3.534
126 HD1 TRP 18 HD TRP 18 -5.056 -4.555 2.941
127 HE1 TRP 18 1HE TRP 18 -7.391 -3.830 2.348
128 HE3 TRP 18 3HE TRP 18 -4.394 0.470 3.477
129 HZ2 TRP 18 2HZ TRP 18 -8.873 -1.349 2.190
130 HZ3 TRP 18 3HZ TRP 18 -6.330 1.963 3.088
131 HH2 TRP 18 HH TRP 18 -8.512 1.065 2.463
132 H VAL 19 H VAL 19 -0.600 -1.233 2.298
133 HA VAL 19 HA VAL 19 1.434 -2.455 3.906
134 HB VAL 19 HB VAL 19 3.107 -1.544 2.335
135 HG11 VAL 19 1HG1 VAL 19 1.183 -3.494 1.077
136 HG12 VAL 19 2HG1 VAL 19 2.498 -3.884 2.175
137 HG13 VAL 19 3HG1 VAL 19 2.849 -3.232 0.563
138 HG21 VAL 19 3HG2 VAL 19 1.808 0.181 1.284
139 HG22 VAL 19 1HG2 VAL 19 0.755 -1.007 0.514
140 HG23 VAL 19 2HG2 VAL 19 2.467 -0.856 0.043
141 H GLN 20 H GLN 20 2.437 -1.123 5.178
142 HA GLN 20 HA GLN 20 1.588 1.708 5.226
143 HB2 GLN 20 2HB GLN 20 0.944 0.414 7.220
144 HB3 GLN 20 1HB GLN 20 2.642 -0.039 7.469
145 HG2 GLN 20 2HG GLN 20 3.164 2.319 7.840
146 HG3 GLN 20 1HG GLN 20 1.468 2.733 7.622
147 HE21 GLN 20 1HE2 GLN 20 3.238 3.078 9.933
148 HE22 GLN 20 2HE2 GLN 20 2.428 2.309 11.240
149 H CYS 21 H CYS 21 3.148 3.312 5.151
150 HA CYS 21 HA CYS 21 5.871 2.321 4.775
151 HB2 CYS 21 2HB CYS 21 6.448 4.579 3.800
152 HB3 CYS 21 1HB CYS 21 5.024 3.930 3.045
153 H ASP 22 H ASP 22 6.916 2.004 6.533
154 HA ASP 22 HA ASP 22 6.372 3.588 8.926
155 HB2 ASP 22 2HB ASP 22 8.076 1.124 8.481
156 HB3 ASP 22 1HB ASP 22 7.929 1.954 10.038
157 H GLY 23 H GLY 23 7.711 4.655 6.637
158 HA2 GLY 23 2HA GLY 23 10.473 5.080 7.577
159 HA3 GLY 23 1HA GLY 23 9.910 5.435 5.946
160 H GLY 24 H GLY 24 7.506 6.515 8.053
161 HA2 GLY 24 2HA GLY 24 8.261 8.707 9.316
162 HA3 GLY 24 1HA GLY 24 8.500 9.224 7.669
163 H CYS 25 H CYS 25 6.029 7.825 6.654
164 HA CYS 25 HA CYS 25 4.237 9.988 7.499
165 HB2 CYS 25 2HB CYS 25 3.523 7.890 5.428
166 HB3 CYS 25 1HB CYS 25 2.885 9.500 5.602
167 H ASP 26 H ASP 26 4.619 6.538 7.702
168 HA ASP 26 HA ASP 26 3.544 4.815 8.624
169 HB2 ASP 26 2HB ASP 26 2.315 6.871 10.502
170 HB3 ASP 26 1HB ASP 26 2.377 5.153 10.752
171 H GLU 27 H GLU 27 2.198 6.337 6.507
172 HA GLU 27 HA GLU 27 -0.584 5.918 7.136
173 HB2 GLU 27 2HB GLU 27 0.778 7.159 4.767
174 HB3 GLU 27 1HB GLU 27 -0.964 6.932 4.802
175 HG2 GLU 27 2HG GLU 27 -0.932 8.310 6.970
176 HG3 GLU 27 1HG GLU 27 0.744 8.621 6.626
177 H TRP 28 H TRP 28 -1.971 4.917 5.455
178 HA TRP 28 HA TRP 28 -0.801 2.296 4.774
179 HB2 TRP 28 2HB TRP 28 -3.655 2.997 5.457
180 HB3 TRP 28 1HB TRP 28 -3.167 1.427 4.836
181 HD1 TRP 28 HD TRP 28 -2.600 3.685 7.941
182 HE1 TRP 28 1HE TRP 28 -1.965 2.154 9.916
183 HE3 TRP 28 3HE TRP 28 -2.318 -0.784 5.477
184 HZ2 TRP 28 2HZ TRP 28 -1.439 -0.571 10.376
185 HZ3 TRP 28 3HZ TRP 28 -1.750 -2.814 6.769
186 HH2 TRP 28 HH TRP 28 -1.318 -2.703 9.142
187 H PHE 29 H PHE 29 -0.668 1.634 2.818
188 HA PHE 29 HA PHE 29 -2.053 3.075 0.643
189 HB2 PHE 29 2HB PHE 29 0.577 1.544 0.469
190 HB3 PHE 29 1HB PHE 29 -0.141 2.591 -0.721
191 HD1 PHE 29 1HD PHE 29 1.181 2.699 2.751
192 HD2 PHE 29 2HD PHE 29 0.610 4.832 -0.889
193 HE1 PHE 29 1HE PHE 29 2.458 4.579 3.637
194 HE2 PHE 29 2HE PHE 29 1.905 6.706 0.019
195 HZ PHE 29 HZ PHE 29 2.829 6.547 2.330
196 H HIS 30 H HIS 30 -2.697 1.733 -1.096
197 HA HIS 30 HA HIS 30 -3.320 -1.081 -0.415
198 HB2 HIS 30 2HB HIS 30 -4.125 0.762 -2.585
199 HB3 HIS 30 1HB HIS 30 -4.490 -0.879 -2.887
200 HD2 HIS 30 2HD HIS 30 -6.436 -1.747 -0.639
201 HE1 HIS 30 1HE HIS 30 -8.089 2.140 -0.797
202 HE2 HIS 30 2HE HIS 30 -8.538 -0.291 -0.358
203 H GLN 31 H GLN 31 -2.246 -2.767 -1.461
204 HA GLN 31 HA GLN 31 0.188 -2.279 -2.643
205 HB2 GLN 31 2HB GLN 31 -1.485 -4.775 -2.757
206 HB3 GLN 31 1HB GLN 31 0.083 -4.638 -3.556
207 HG2 GLN 31 2HG GLN 31 1.154 -4.149 -1.455
208 HG3 GLN 31 1HG GLN 31 -0.375 -4.251 -0.593
209 HE21 GLN 31 1HE2 GLN 31 -1.257 -6.297 -0.218
210 HE22 GLN 31 2HE2 GLN 31 -0.349 -7.737 -0.452
211 H VAL 32 H VAL 32 -2.808 -2.988 -4.484
212 HA VAL 32 HA VAL 32 -1.449 -2.792 -6.961
213 HB VAL 32 HB VAL 32 -3.576 -4.000 -6.819
214 HG11 VAL 32 1HG1 VAL 32 -4.681 -1.286 -6.395
215 HG12 VAL 32 2HG1 VAL 32 -4.640 -2.556 -5.159
216 HG13 VAL 32 3HG1 VAL 32 -5.699 -2.715 -6.589
217 HG21 VAL 32 3HG2 VAL 32 -4.701 -3.007 -8.801
218 HG22 VAL 32 1HG2 VAL 32 -2.920 -3.051 -8.976
219 HG23 VAL 32 2HG2 VAL 32 -3.729 -1.559 -8.497
220 H CYS 33 H CYS 33 -3.073 -0.524 -5.055
221 HA CYS 33 HA CYS 33 -3.146 1.573 -7.074
222 HB2 CYS 33 2HB CYS 33 -4.300 2.969 -5.570
223 HB3 CYS 33 1HB CYS 33 -4.768 1.391 -5.097
224 H VAL 34 H VAL 34 -0.771 0.717 -4.596
225 HA VAL 34 HA VAL 34 0.709 2.983 -5.578
226 HB VAL 34 HB VAL 34 0.184 2.350 -2.979
227 HG11 VAL 34 1HG1 VAL 34 2.650 0.927 -3.358
228 HG12 VAL 34 2HG1 VAL 34 1.065 0.248 -2.946
229 HG13 VAL 34 3HG1 VAL 34 1.877 1.342 -1.827
230 HG21 VAL 34 3HG2 VAL 34 1.129 4.309 -3.791
231 HG22 VAL 34 1HG2 VAL 34 2.711 3.521 -4.001
232 HG23 VAL 34 2HG2 VAL 34 1.999 3.722 -2.360
233 H GLY 35 H GLY 35 0.280 0.157 -6.664
234 HA2 GLY 35 2HA GLY 35 1.468 -1.356 -7.985
235 HA3 GLY 35 1HA GLY 35 2.730 -0.169 -8.033
236 H VAL 36 H VAL 36 1.709 -1.948 -5.105
237 HA VAL 36 HA VAL 36 4.376 -3.109 -4.864
238 HB VAL 36 HB VAL 36 2.011 -3.125 -2.955
239 HG11 VAL 36 1HG1 VAL 36 3.595 -3.867 -1.257
240 HG12 VAL 36 2HG1 VAL 36 4.834 -4.071 -2.525
241 HG13 VAL 36 3HG1 VAL 36 3.354 -5.033 -2.552
242 HG21 VAL 36 3HG2 VAL 36 3.412 -1.571 -1.621
243 HG22 VAL 36 1HG2 VAL 36 2.823 -0.966 -3.169
244 HG23 VAL 36 2HG2 VAL 36 4.504 -1.488 -3.014
245 H SER 37 H SER 37 4.725 -5.485 -4.746
246 HA SER 37 HA SER 37 2.517 -7.031 -5.685
247 HB2 SER 37 2HB SER 37 4.392 -8.582 -6.268
248 HB3 SER 37 1HB SER 37 4.579 -7.009 -7.041
249 HG SER 37 HG SER 37 6.525 -7.830 -6.015
250 HA PRO 38 HA PRO 38 1.871 -8.865 -1.701
251 HB2 PRO 38 2HB PRO 38 2.322 -11.588 -2.378
252 HB3 PRO 38 1HB PRO 38 0.780 -10.745 -2.340
253 HG2 PRO 38 2HG PRO 38 2.597 -11.274 -4.613
254 HG3 PRO 38 1HG PRO 38 0.827 -11.205 -4.626
255 HD2 PRO 38 2HD PRO 38 2.294 -9.252 -5.670
256 HD3 PRO 38 1HD PRO 38 0.848 -8.831 -4.749
257 H GLU 39 H GLU 39 4.658 -10.256 -3.480
258 HA GLU 39 HA GLU 39 6.225 -11.287 -1.418
259 HB2 GLU 39 2HB GLU 39 6.530 -11.655 -3.839
260 HB3 GLU 39 1HB GLU 39 6.951 -9.963 -4.033
261 HG2 GLU 39 2HG GLU 39 8.967 -10.347 -2.654
262 HG3 GLU 39 1HG GLU 39 8.496 -12.053 -2.511
263 H MET 40 H MET 40 5.929 -7.922 -2.564
264 HA MET 40 HA MET 40 8.297 -7.205 -1.156
265 HB2 MET 40 2HB MET 40 7.328 -5.906 -3.237
266 HB3 MET 40 1HB MET 40 6.177 -5.379 -2.115
267 HG2 MET 40 2HG MET 40 7.476 -4.054 -0.888
268 HG3 MET 40 1HG MET 40 8.957 -4.949 -1.227
269 HE1 MET 40 3HE MET 40 6.390 -3.588 -3.939
270 HE2 MET 40 1HE MET 40 6.982 -1.943 -4.192
271 HE3 MET 40 2HE MET 40 6.283 -2.410 -2.631
272 H ALA 41 H ALA 41 4.864 -6.950 -0.561
273 HA ALA 41 HA ALA 41 4.847 -5.463 1.781
274 HB1 ALA 41 1HB ALA 41 2.671 -6.499 2.214
275 HB2 ALA 41 2HB ALA 41 3.054 -7.761 1.042
276 HB3 ALA 41 3HB ALA 41 2.837 -6.108 0.498
277 H GLU 42 H GLU 42 5.032 -8.942 1.478
278 HA GLU 42 HA GLU 42 5.471 -9.159 4.364
279 HB2 GLU 42 2HB GLU 42 5.360 -11.422 2.407
280 HB3 GLU 42 1HB GLU 42 5.511 -11.595 4.145
281 HG2 GLU 42 2HG GLU 42 3.300 -10.448 4.363
282 HG3 GLU 42 1HG GLU 42 3.159 -10.578 2.588
283 H ASN 43 H ASN 43 7.586 -9.191 1.589
284 HA ASN 43 HA ASN 43 9.512 -10.636 3.194
285 HB2 ASN 43 2HB ASN 43 9.517 -10.072 0.229
286 HB3 ASN 43 1HB ASN 43 10.820 -10.854 1.121
287 HD21 ASN 43 1HD2 ASN 43 10.460 -12.902 1.883
288 HD22 ASN 43 2HD2 ASN 43 9.191 -13.944 1.339
289 H GLU 44 H GLU 44 8.943 -7.430 1.950
290 HA GLU 44 HA GLU 44 11.441 -6.728 3.198
291 HB2 GLU 44 2HB GLU 44 10.913 -6.104 0.313
292 HB3 GLU 44 1HB GLU 44 12.086 -5.204 1.264
293 HG2 GLU 44 2HG GLU 44 13.220 -7.356 1.767
294 HG3 GLU 44 1HG GLU 44 12.110 -8.145 0.662
295 H ASP 45 H ASP 45 11.821 -4.276 2.774
296 HA ASP 45 HA ASP 45 9.934 -3.051 4.520
297 HB2 ASP 45 2HB ASP 45 12.297 -2.969 4.903
298 HB3 ASP 45 1HB ASP 45 12.555 -2.263 3.314
299 H TYR 46 H TYR 46 8.248 -2.002 3.709
300 HA TYR 46 HA TYR 46 8.375 -0.699 1.129
301 HB2 TYR 46 2HB TYR 46 6.264 -1.809 1.459
302 HB3 TYR 46 1HB TYR 46 5.995 -0.964 2.993
303 HD1 TYR 46 1HD TYR 46 5.881 -0.710 -0.689
304 HD2 TYR 46 2HD TYR 46 5.160 1.326 2.976
305 HE1 TYR 46 1HE TYR 46 4.566 1.123 -1.887
306 HE2 TYR 46 2HE TYR 46 3.915 3.056 1.756
307 HH TYR 46 HH TYR 46 2.899 2.736 -1.347
308 H ILE 47 H ILE 47 9.256 0.967 0.988
309 HA ILE 47 HA ILE 47 8.761 3.324 2.729
310 HB ILE 47 HB ILE 47 11.008 2.933 0.687
311 HG12 ILE 47 2HG1 ILE 47 11.328 1.585 2.719
312 HG13 ILE 47 1HG1 ILE 47 12.518 2.870 2.637
313 HG21 ILE 47 1HG2 ILE 47 10.482 5.152 2.611
314 HG22 ILE 47 2HG2 ILE 47 10.364 5.263 0.835
315 HG23 ILE 47 3HG2 ILE 47 11.940 5.028 1.618
316 HD11 ILE 47 3HD1 ILE 47 10.045 2.825 4.344
317 HD12 ILE 47 1HD1 ILE 47 11.192 4.169 4.269
318 HD13 ILE 47 2HD1 ILE 47 11.708 2.606 4.887
319 H CYS 48 H CYS 48 7.829 5.338 1.731
320 HA CYS 48 HA CYS 48 6.501 4.635 -0.753
321 HB2 CYS 48 2HB CYS 48 4.858 6.243 -0.191
322 HB3 CYS 48 1HB CYS 48 5.204 5.429 1.333
323 H ILE 49 H ILE 49 6.061 6.680 -2.035
324 HA ILE 49 HA ILE 49 8.333 7.734 -3.200
325 HB ILE 49 HB ILE 49 6.179 7.715 -4.308
326 HG12 ILE 49 2HG1 ILE 49 7.141 10.521 -3.952
327 HG13 ILE 49 1HG1 ILE 49 7.912 9.313 -5.000
328 HG21 ILE 49 1HG2 ILE 49 4.403 9.310 -3.759
329 HG22 ILE 49 2HG2 ILE 49 5.336 9.864 -2.368
330 HG23 ILE 49 3HG2 ILE 49 4.728 8.214 -2.412
331 HD11 ILE 49 3HD1 ILE 49 6.506 10.777 -6.332
332 HD12 ILE 49 1HD1 ILE 49 5.140 10.391 -5.257
333 HD13 ILE 49 2HD1 ILE 49 5.882 9.127 -6.259
334 H ASN 50 H ASN 50 6.534 9.052 -0.471
335 HA ASN 50 HA ASN 50 8.003 11.565 -0.475
336 HB2 ASN 50 2HB ASN 50 6.100 10.437 1.607
337 HB3 ASN 50 1HB ASN 50 6.771 12.051 1.621
338 HD21 ASN 50 1HD2 ASN 50 5.934 13.617 0.217
339 HD22 ASN 50 2HD2 ASN 50 4.479 13.342 -0.656
340 H CYS 51 H CYS 51 8.025 8.520 1.237
341 HA CYS 51 HA CYS 51 9.925 9.348 3.208
342 HB2 CYS 51 2HB CYS 51 8.853 6.629 2.413
343 HB3 CYS 51 1HB CYS 51 10.125 6.830 3.603
344 H ALA 52 H ALA 52 10.109 8.128 0.034
345 HA ALA 52 HA ALA 52 12.839 7.177 0.229
346 HB1 ALA 52 3HB ALA 52 12.722 6.719 -2.141
347 HB2 ALA 52 1HB ALA 52 11.217 7.644 -2.270
348 HB3 ALA 52 2HB ALA 52 11.257 6.155 -1.318
Start of MODEL 18
1 HA SER 1 HA SER 1 -12.441 6.130 3.731
2 HB2 SER 1 2HB SER 1 -11.950 4.873 5.827
3 HB3 SER 1 1HB SER 1 -10.646 4.014 5.001
4 HG SER 1 HG SER 1 -9.613 5.648 6.036
5 H VAL 2 H VAL 2 -10.478 7.259 3.037
6 HA VAL 2 HA VAL 2 -9.419 6.060 0.579
7 HB VAL 2 HB VAL 2 -9.505 8.947 1.512
8 HG11 VAL 2 1HG1 VAL 2 -8.551 7.809 -1.122
9 HG12 VAL 2 2HG1 VAL 2 -7.542 8.558 0.128
10 HG13 VAL 2 3HG1 VAL 2 -8.712 9.530 -0.758
11 HG21 VAL 2 3HG2 VAL 2 -11.724 8.227 0.853
12 HG22 VAL 2 1HG2 VAL 2 -11.091 7.561 -0.658
13 HG23 VAL 2 2HG2 VAL 2 -11.076 9.304 -0.365
14 H CYS 3 H CYS 3 -7.307 5.516 0.482
15 HA CYS 3 HA CYS 3 -5.824 5.978 2.918
16 HB2 CYS 3 2HB CYS 3 -4.845 3.976 2.573
17 HB3 CYS 3 1HB CYS 3 -6.177 3.703 1.473
18 H ALA 4 H ALA 4 -3.280 5.836 2.112
19 HA ALA 4 HA ALA 4 -2.919 8.455 0.850
20 HB1 ALA 4 1HB ALA 4 -0.646 8.321 1.731
21 HB2 ALA 4 2HB ALA 4 -0.957 6.678 2.311
22 HB3 ALA 4 3HB ALA 4 -1.804 8.041 3.035
23 H ALA 5 H ALA 5 -2.605 8.417 -1.322
24 HA ALA 5 HA ALA 5 -0.288 7.208 -2.396
25 HB1 ALA 5 1HB ALA 5 -1.747 5.195 -2.438
26 HB2 ALA 5 2HB ALA 5 -1.314 5.729 -4.055
27 HB3 ALA 5 3HB ALA 5 -2.914 6.088 -3.426
28 H GLN 6 H GLN 6 0.323 8.250 -4.277
29 HA GLN 6 HA GLN 6 -0.600 10.548 -5.239
30 HB2 GLN 6 2HB GLN 6 1.471 9.248 -5.890
31 HB3 GLN 6 1HB GLN 6 0.448 8.251 -6.901
32 HG2 GLN 6 2HG GLN 6 -0.074 10.225 -8.249
33 HG3 GLN 6 1HG GLN 6 1.027 11.174 -7.239
34 HE21 GLN 6 1HE2 GLN 6 0.746 8.716 -9.707
35 HE22 GLN 6 2HE2 GLN 6 2.422 8.708 -10.117
36 H ASN 7 H ASN 7 -1.605 7.466 -6.210
37 HA ASN 7 HA ASN 7 -4.272 8.491 -7.045
38 HB2 ASN 7 2HB ASN 7 -3.077 8.126 -9.184
39 HB3 ASN 7 1HB ASN 7 -2.748 6.464 -8.726
40 HD21 ASN 7 1HD2 ASN 7 -4.438 4.974 -8.833
41 HD22 ASN 7 2HD2 ASN 7 -5.921 5.265 -9.682
42 H CYS 8 H CYS 8 -5.461 7.682 -5.338
43 HA CYS 8 HA CYS 8 -4.951 4.948 -4.674
44 HB2 CYS 8 2HB CYS 8 -4.981 6.457 -2.756
45 HB3 CYS 8 1HB CYS 8 -6.590 7.004 -3.234
46 H GLN 9 H GLN 9 -6.127 3.460 -5.496
47 HA GLN 9 HA GLN 9 -8.636 3.924 -6.851
48 HB2 GLN 9 2HB GLN 9 -7.227 1.287 -6.321
49 HB3 GLN 9 1HB GLN 9 -8.417 1.665 -7.556
50 HG2 GLN 9 2HG GLN 9 -6.812 3.074 -8.717
51 HG3 GLN 9 1HG GLN 9 -5.637 2.786 -7.446
52 HE21 GLN 9 1HE2 GLN 9 -4.122 1.846 -8.786
53 HE22 GLN 9 2HE2 GLN 9 -4.366 0.294 -9.485
54 H ARG 10 H ARG 10 -10.440 2.491 -6.240
55 HA ARG 10 HA ARG 10 -10.406 1.879 -3.382
56 HB2 ARG 10 2HB ARG 10 -12.765 3.056 -4.878
57 HB3 ARG 10 1HB ARG 10 -12.971 2.232 -3.343
58 HG2 ARG 10 2HG ARG 10 -12.927 4.526 -2.931
59 HG3 ARG 10 1HG ARG 10 -11.418 3.854 -2.315
60 HD2 ARG 10 2HD ARG 10 -10.983 5.914 -3.375
61 HD3 ARG 10 1HD ARG 10 -10.318 4.646 -4.416
62 HE ARG 10 HE ARG 10 -12.915 5.176 -5.235
63 HH11 ARG 10 1HH1 ARG 10 -9.716 6.724 -5.326
64 HH12 ARG 10 2HH1 ARG 10 -10.117 7.826 -6.536
65 HH21 ARG 10 1HH2 ARG 10 -13.472 6.678 -6.915
66 HH22 ARG 10 2HH2 ARG 10 -12.317 7.781 -7.493
67 HA PRO 11 HA PRO 11 -11.192 -2.309 -4.970
68 HB2 PRO 11 2HB PRO 11 -9.567 -2.788 -2.555
69 HB3 PRO 11 1HB PRO 11 -9.333 -3.472 -4.191
70 HG2 PRO 11 2HG PRO 11 -7.686 -1.653 -3.205
71 HG3 PRO 11 1HG PRO 11 -8.193 -1.568 -4.897
72 HD2 PRO 11 2HD PRO 11 -9.205 0.076 -2.569
73 HD3 PRO 11 1HD PRO 11 -8.815 0.537 -4.219
74 H CYS 12 H CYS 12 -12.437 -3.969 -3.888
75 HA CYS 12 HA CYS 12 -13.544 -3.262 -1.259
76 HB2 CYS 12 2HB CYS 12 -15.767 -3.959 -2.211
77 HB3 CYS 12 1HB CYS 12 -15.109 -2.457 -2.865
78 HG CYS 12 HG CYS 12 -16.199 -3.586 -5.023
79 H LYS 13 H LYS 13 -11.520 -5.279 -2.113
80 HA LYS 13 HA LYS 13 -13.014 -7.789 -1.869
81 HB2 LYS 13 2HB LYS 13 -10.090 -7.377 -2.480
82 HB3 LYS 13 1HB LYS 13 -10.942 -8.919 -2.458
83 HG2 LYS 13 2HG LYS 13 -12.347 -8.148 -4.321
84 HG3 LYS 13 1HG LYS 13 -11.443 -6.630 -4.356
85 HD2 LYS 13 2HD LYS 13 -9.376 -7.919 -4.798
86 HD3 LYS 13 1HD LYS 13 -10.332 -9.396 -4.819
87 HE2 LYS 13 2HE LYS 13 -11.644 -8.461 -6.706
88 HE3 LYS 13 1HE LYS 13 -10.578 -7.053 -6.691
89 HZ1 LYS 13 3HZ LYS 13 -9.905 -8.681 -8.375
90 HZ2 LYS 13 1HZ LYS 13 -9.732 -9.861 -7.195
91 HZ3 LYS 13 2HZ LYS 13 -8.712 -8.536 -7.200
92 H ASP 14 H ASP 14 -12.777 -9.262 -0.294
93 HA ASP 14 HA ASP 14 -11.883 -8.414 2.252
94 HB2 ASP 14 2HB ASP 14 -12.319 -11.259 1.251
95 HB3 ASP 14 1HB ASP 14 -12.208 -10.757 2.930
96 H LYS 15 H LYS 15 -10.580 -10.875 -0.026
97 HA LYS 15 HA LYS 15 -8.046 -10.962 1.203
98 HB2 LYS 15 2HB LYS 15 -9.037 -11.892 -1.493
99 HB3 LYS 15 1HB LYS 15 -7.449 -12.275 -0.821
100 HG2 LYS 15 2HG LYS 15 -8.482 -13.589 0.916
101 HG3 LYS 15 1HG LYS 15 -10.082 -13.066 0.430
102 HD2 LYS 15 2HD LYS 15 -9.845 -14.152 -1.724
103 HD3 LYS 15 1HD LYS 15 -8.190 -14.620 -1.335
104 HE2 LYS 15 2HE LYS 15 -10.639 -15.505 0.223
105 HE3 LYS 15 1HE LYS 15 -9.928 -16.467 -1.053
106 HZ1 LYS 15 3HZ LYS 15 -9.193 -17.179 1.112
107 HZ2 LYS 15 1HZ LYS 15 -8.565 -15.666 1.481
108 HZ3 LYS 15 2HZ LYS 15 -7.888 -16.612 0.238
109 H VAL 16 H VAL 16 -7.295 -8.798 1.237
110 HA VAL 16 HA VAL 16 -5.533 -8.247 -0.831
111 HB VAL 16 HB VAL 16 -7.389 -7.198 -2.041
112 HG11 VAL 16 1HG1 VAL 16 -7.778 -5.608 0.421
113 HG12 VAL 16 2HG1 VAL 16 -8.924 -6.793 -0.282
114 HG13 VAL 16 3HG1 VAL 16 -8.606 -5.271 -1.108
115 HG21 VAL 16 3HG2 VAL 16 -6.498 -4.920 -2.323
116 HG22 VAL 16 1HG2 VAL 16 -5.192 -6.110 -2.212
117 HG23 VAL 16 2HG2 VAL 16 -5.583 -5.126 -0.815
118 H ASP 17 H ASP 17 -4.084 -8.217 0.481
119 HA ASP 17 HA ASP 17 -3.937 -6.967 2.989
120 HB2 ASP 17 2HB ASP 17 -1.687 -7.926 1.228
121 HB3 ASP 17 1HB ASP 17 -1.472 -7.413 2.894
122 H TRP 18 H TRP 18 -2.962 -5.185 3.773
123 HA TRP 18 HA TRP 18 -2.548 -2.921 1.916
124 HB2 TRP 18 2HB TRP 18 -3.463 -3.010 4.794
125 HB3 TRP 18 1HB TRP 18 -3.106 -1.525 3.912
126 HD1 TRP 18 HD TRP 18 -5.344 -4.580 3.014
127 HE1 TRP 18 1HE TRP 18 -7.612 -3.751 2.317
128 HE3 TRP 18 3HE TRP 18 -4.531 0.387 3.740
129 HZ2 TRP 18 2HZ TRP 18 -8.968 -1.235 2.139
130 HZ3 TRP 18 3HZ TRP 18 -6.352 1.962 3.294
131 HH2 TRP 18 HH TRP 18 -8.541 1.183 2.508
132 H VAL 19 H VAL 19 -0.834 -1.210 2.712
133 HA VAL 19 HA VAL 19 1.173 -2.497 4.337
134 HB VAL 19 HB VAL 19 2.939 -1.558 2.813
135 HG11 VAL 19 1HG1 VAL 19 1.092 -3.525 1.471
136 HG12 VAL 19 2HG1 VAL 19 2.311 -3.931 2.675
137 HG13 VAL 19 3HG1 VAL 19 2.802 -3.276 1.113
138 HG21 VAL 19 3HG2 VAL 19 2.312 -0.955 0.502
139 HG22 VAL 19 1HG2 VAL 19 1.612 0.144 1.683
140 HG23 VAL 19 2HG2 VAL 19 0.608 -1.086 0.942
141 H GLN 20 H GLN 20 2.342 -1.162 5.580
142 HA GLN 20 HA GLN 20 1.579 1.693 5.675
143 HB2 GLN 20 2HB GLN 20 0.953 0.382 7.674
144 HB3 GLN 20 1HB GLN 20 2.625 -0.088 7.888
145 HG2 GLN 20 2HG GLN 20 3.215 2.311 8.243
146 HG3 GLN 20 1HG GLN 20 1.505 2.694 8.114
147 HE21 GLN 20 1HE2 GLN 20 0.132 2.202 9.766
148 HE22 GLN 20 2HE2 GLN 20 0.713 1.726 11.336
149 H CYS 21 H CYS 21 3.170 3.188 5.655
150 HA CYS 21 HA CYS 21 5.783 2.325 4.655
151 HB2 CYS 21 2HB CYS 21 4.623 4.317 3.683
152 HB3 CYS 21 1HB CYS 21 4.822 5.148 5.189
153 H ASP 22 H ASP 22 7.029 1.385 5.989
154 HA ASP 22 HA ASP 22 7.362 2.454 8.681
155 HB2 ASP 22 2HB ASP 22 7.475 -0.122 7.602
156 HB3 ASP 22 1HB ASP 22 9.163 0.299 7.865
157 H GLY 23 H GLY 23 8.310 3.471 5.908
158 HA2 GLY 23 2HA GLY 23 11.145 3.766 6.402
159 HA3 GLY 23 1HA GLY 23 10.258 4.367 4.989
160 H GLY 24 H GLY 24 8.365 5.177 7.489
161 HA2 GLY 24 2HA GLY 24 9.284 7.021 9.116
162 HA3 GLY 24 1HA GLY 24 9.514 7.864 7.616
163 H CYS 25 H CYS 25 6.904 6.640 6.553
164 HA CYS 25 HA CYS 25 5.377 8.479 8.195
165 HB2 CYS 25 2HB CYS 25 4.077 9.334 6.329
166 HB3 CYS 25 1HB CYS 25 5.790 9.559 5.972
167 H ASP 26 H ASP 26 4.733 6.968 9.418
168 HA ASP 26 HA ASP 26 3.295 4.731 9.339
169 HB2 ASP 26 2HB ASP 26 2.058 5.325 11.368
170 HB3 ASP 26 1HB ASP 26 3.711 5.887 11.430
171 H GLU 27 H GLU 27 2.210 6.669 7.114
172 HA GLU 27 HA GLU 27 -0.641 6.371 7.494
173 HB2 GLU 27 2HB GLU 27 0.933 7.389 5.107
174 HB3 GLU 27 1HB GLU 27 -0.819 7.371 5.191
175 HG2 GLU 27 2HG GLU 27 -0.586 8.859 7.269
176 HG3 GLU 27 1HG GLU 27 1.106 8.956 6.860
177 H TRP 28 H TRP 28 -1.915 5.299 5.805
178 HA TRP 28 HA TRP 28 -0.672 2.699 5.191
179 HB2 TRP 28 2HB TRP 28 -3.546 3.342 5.815
180 HB3 TRP 28 1HB TRP 28 -3.048 1.802 5.126
181 HD1 TRP 28 HD TRP 28 -2.450 3.924 8.339
182 HE1 TRP 28 1HE TRP 28 -1.936 2.303 10.267
183 HE3 TRP 28 3HE TRP 28 -2.363 -0.447 5.692
184 HZ2 TRP 28 2HZ TRP 28 -1.561 -0.495 10.605
185 HZ3 TRP 28 3HZ TRP 28 -1.925 -2.540 6.884
186 HH2 TRP 28 HH TRP 28 -1.527 -2.556 9.302
187 H PHE 29 H PHE 29 -0.508 1.963 3.266
188 HA PHE 29 HA PHE 29 -1.829 3.391 1.036
189 HB2 PHE 29 2HB PHE 29 0.863 1.935 0.923
190 HB3 PHE 29 1HB PHE 29 0.133 2.927 -0.310
191 HD1 PHE 29 1HD PHE 29 1.411 3.149 3.175
192 HD2 PHE 29 2HD PHE 29 0.743 5.201 -0.494
193 HE1 PHE 29 1HE PHE 29 2.635 5.116 4.045
194 HE2 PHE 29 2HE PHE 29 1.966 7.149 0.367
195 HZ PHE 29 HZ PHE 29 2.907 7.102 2.658
196 H HIS 30 H HIS 30 -2.549 2.064 -0.713
197 HA HIS 30 HA HIS 30 -3.116 -0.784 -0.165
198 HB2 HIS 30 2HB HIS 30 -3.895 1.116 -2.310
199 HB3 HIS 30 1HB HIS 30 -4.137 -0.535 -2.680
200 HD2 HIS 30 2HD HIS 30 -6.180 -1.657 -0.786
201 HE1 HIS 30 1HE HIS 30 -8.012 2.144 -0.541
202 HE2 HIS 30 2HE HIS 30 -8.169 -0.282 0.078
203 H GLN 31 H GLN 31 -2.105 -2.464 -1.256
204 HA GLN 31 HA GLN 31 0.344 -1.992 -2.450
205 HB2 GLN 31 2HB GLN 31 -1.410 -4.442 -2.685
206 HB3 GLN 31 1HB GLN 31 0.188 -4.333 -3.408
207 HG2 GLN 31 2HG GLN 31 1.152 -3.972 -1.197
208 HG3 GLN 31 1HG GLN 31 -0.441 -4.083 -0.474
209 HE21 GLN 31 1HE2 GLN 31 -1.391 -6.042 -0.322
210 HE22 GLN 31 2HE2 GLN 31 -0.585 -7.549 -0.589
211 H VAL 32 H VAL 32 -2.722 -2.633 -4.137
212 HA VAL 32 HA VAL 32 -1.546 -2.426 -6.704
213 HB VAL 32 HB VAL 32 -3.674 -3.596 -6.416
214 HG11 VAL 32 1HG1 VAL 32 -5.749 -2.325 -6.002
215 HG12 VAL 32 2HG1 VAL 32 -4.725 -0.866 -5.914
216 HG13 VAL 32 3HG1 VAL 32 -4.552 -2.116 -4.683
217 HG21 VAL 32 3HG2 VAL 32 -3.155 -2.657 -8.620
218 HG22 VAL 32 1HG2 VAL 32 -3.897 -1.147 -8.088
219 HG23 VAL 32 2HG2 VAL 32 -4.911 -2.576 -8.305
220 H CYS 33 H CYS 33 -3.069 -0.145 -4.691
221 HA CYS 33 HA CYS 33 -3.244 1.900 -6.724
222 HB2 CYS 33 2HB CYS 33 -4.348 3.333 -5.249
223 HB3 CYS 33 1HB CYS 33 -4.791 1.775 -4.635
224 H VAL 34 H VAL 34 -0.747 1.109 -4.367
225 HA VAL 34 HA VAL 34 0.712 3.386 -5.347
226 HB VAL 34 HB VAL 34 0.258 2.651 -2.768
227 HG11 VAL 34 1HG1 VAL 34 2.735 1.270 -3.270
228 HG12 VAL 34 2HG1 VAL 34 1.177 0.569 -2.816
229 HG13 VAL 34 3HG1 VAL 34 2.028 1.652 -1.698
230 HG21 VAL 34 3HG2 VAL 34 1.202 4.682 -3.573
231 HG22 VAL 34 1HG2 VAL 34 2.780 3.896 -3.738
232 HG23 VAL 34 2HG2 VAL 34 2.004 4.073 -2.123
233 H GLY 35 H GLY 35 0.296 0.485 -6.397
234 HA2 GLY 35 2HA GLY 35 1.444 -1.051 -7.698
235 HA3 GLY 35 1HA GLY 35 2.681 0.160 -7.855
236 H VAL 36 H VAL 36 1.751 -1.667 -4.911
237 HA VAL 36 HA VAL 36 4.455 -2.714 -4.643
238 HB VAL 36 HB VAL 36 2.018 -2.810 -2.847
239 HG11 VAL 36 1HG1 VAL 36 4.748 -4.021 -2.416
240 HG12 VAL 36 2HG1 VAL 36 3.145 -4.757 -2.318
241 HG13 VAL 36 3HG1 VAL 36 3.652 -3.596 -1.096
242 HG21 VAL 36 3HG2 VAL 36 4.582 -1.244 -2.648
243 HG22 VAL 36 1HG2 VAL 36 3.336 -1.333 -1.394
244 HG23 VAL 36 2HG2 VAL 36 2.960 -0.656 -2.983
245 H SER 37 H SER 37 4.885 -5.129 -4.549
246 HA SER 37 HA SER 37 2.766 -6.558 -5.813
247 HB2 SER 37 2HB SER 37 4.657 -8.187 -6.166
248 HB3 SER 37 1HB SER 37 4.878 -6.627 -6.976
249 HG SER 37 HG SER 37 6.773 -7.083 -5.961
250 HA PRO 38 HA PRO 38 1.626 -8.607 -2.044
251 HB2 PRO 38 2HB PRO 38 1.893 -11.292 -2.781
252 HB3 PRO 38 1HB PRO 38 0.458 -10.290 -3.036
253 HG2 PRO 38 2HG PRO 38 2.709 -10.905 -4.880
254 HG3 PRO 38 1HG PRO 38 0.984 -10.850 -5.270
255 HD2 PRO 38 2HD PRO 38 2.531 -8.864 -5.979
256 HD3 PRO 38 1HD PRO 38 0.958 -8.488 -5.226
257 H GLU 39 H GLU 39 4.585 -9.847 -3.651
258 HA GLU 39 HA GLU 39 5.532 -11.225 -1.432
259 HB2 GLU 39 2HB GLU 39 6.782 -10.256 -3.953
260 HB3 GLU 39 1HB GLU 39 7.531 -11.338 -2.783
261 HG2 GLU 39 2HG GLU 39 5.699 -12.996 -3.261
262 HG3 GLU 39 1HG GLU 39 5.055 -11.859 -4.438
263 H MET 40 H MET 40 5.745 -7.905 -2.528
264 HA MET 40 HA MET 40 8.191 -7.367 -1.115
265 HB2 MET 40 2HB MET 40 7.208 -5.878 -3.110
266 HB3 MET 40 1HB MET 40 6.209 -5.234 -1.852
267 HG2 MET 40 2HG MET 40 7.892 -4.456 -0.580
268 HG3 MET 40 1HG MET 40 9.203 -5.228 -1.494
269 HE1 MET 40 3HE MET 40 7.007 -1.274 -2.392
270 HE2 MET 40 1HE MET 40 7.050 -2.147 -0.867
271 HE3 MET 40 2HE MET 40 6.109 -2.777 -2.218
272 H ALA 41 H ALA 41 4.790 -7.055 -0.533
273 HA ALA 41 HA ALA 41 4.774 -5.616 1.852
274 HB1 ALA 41 1HB ALA 41 2.863 -7.769 0.920
275 HB2 ALA 41 2HB ALA 41 2.735 -6.074 0.503
276 HB3 ALA 41 3HB ALA 41 2.514 -6.588 2.167
277 H GLU 42 H GLU 42 5.367 -8.972 1.258
278 HA GLU 42 HA GLU 42 5.375 -9.618 4.134
279 HB2 GLU 42 2HB GLU 42 5.744 -11.506 1.783
280 HB3 GLU 42 1HB GLU 42 5.703 -11.980 3.467
281 HG2 GLU 42 2HG GLU 42 3.397 -11.203 3.609
282 HG3 GLU 42 1HG GLU 42 3.441 -10.749 1.890
283 H ASN 43 H ASN 43 7.714 -8.881 1.661
284 HA ASN 43 HA ASN 43 9.774 -10.213 3.246
285 HB2 ASN 43 2HB ASN 43 9.596 -9.763 0.299
286 HB3 ASN 43 1HB ASN 43 11.094 -10.189 1.103
287 HD21 ASN 43 1HD2 ASN 43 9.536 -11.629 -0.874
288 HD22 ASN 43 2HD2 ASN 43 9.139 -13.154 -0.139
289 H GLU 44 H GLU 44 9.000 -7.079 1.759
290 HA GLU 44 HA GLU 44 11.613 -6.252 2.782
291 HB2 GLU 44 2HB GLU 44 10.387 -5.245 0.220
292 HB3 GLU 44 1HB GLU 44 11.900 -4.688 0.931
293 HG2 GLU 44 2HG GLU 44 12.784 -6.993 0.697
294 HG3 GLU 44 1HG GLU 44 11.320 -7.417 -0.185
295 H ASP 45 H ASP 45 11.864 -3.947 3.089
296 HA ASP 45 HA ASP 45 9.683 -2.961 4.666
297 HB2 ASP 45 2HB ASP 45 11.927 -2.882 5.535
298 HB3 ASP 45 1HB ASP 45 12.502 -1.988 4.141
299 H TYR 46 H TYR 46 8.162 -1.864 3.796
300 HA TYR 46 HA TYR 46 8.332 -0.633 1.234
301 HB2 TYR 46 2HB TYR 46 6.170 -1.540 1.747
302 HB3 TYR 46 1HB TYR 46 6.029 -0.557 3.218
303 HD1 TYR 46 1HD TYR 46 5.725 -0.562 -0.476
304 HD2 TYR 46 2HD TYR 46 5.388 1.775 3.041
305 HE1 TYR 46 1HE TYR 46 4.542 1.246 -1.741
306 HE2 TYR 46 2HE TYR 46 4.233 3.528 1.795
307 HH TYR 46 HH TYR 46 3.035 3.058 -1.245
308 H ILE 47 H ILE 47 9.422 0.943 0.902
309 HA ILE 47 HA ILE 47 9.202 3.423 2.481
310 HB ILE 47 HB ILE 47 10.909 2.946 -0.017
311 HG12 ILE 47 2HG1 ILE 47 11.655 1.474 1.866
312 HG13 ILE 47 1HG1 ILE 47 12.844 2.694 1.428
313 HG21 ILE 47 1HG2 ILE 47 10.926 5.133 2.042
314 HG22 ILE 47 2HG2 ILE 47 10.390 5.268 0.372
315 HG23 ILE 47 3HG2 ILE 47 12.094 4.972 0.726
316 HD11 ILE 47 3HD1 ILE 47 12.175 4.022 3.363
317 HD12 ILE 47 1HD1 ILE 47 12.674 2.409 3.868
318 HD13 ILE 47 2HD1 ILE 47 10.968 2.806 3.777
319 H CYS 48 H CYS 48 8.182 5.368 1.395
320 HA CYS 48 HA CYS 48 6.508 4.493 -0.841
321 HB2 CYS 48 2HB CYS 48 4.995 6.180 -0.147
322 HB3 CYS 48 1HB CYS 48 5.482 5.318 1.314
323 H ILE 49 H ILE 49 5.835 6.503 -2.116
324 HA ILE 49 HA ILE 49 7.777 7.550 -3.735
325 HB ILE 49 HB ILE 49 5.481 7.471 -4.332
326 HG12 ILE 49 2HG1 ILE 49 6.326 10.348 -4.217
327 HG13 ILE 49 1HG1 ILE 49 6.949 9.195 -5.390
328 HG21 ILE 49 1HG2 ILE 49 4.987 9.570 -2.223
329 HG22 ILE 49 2HG2 ILE 49 4.379 7.900 -2.231
330 HG23 ILE 49 3HG2 ILE 49 3.823 9.054 -3.437
331 HD11 ILE 49 3HD1 ILE 49 5.202 10.543 -6.408
332 HD12 ILE 49 1HD1 ILE 49 4.053 10.076 -5.148
333 HD13 ILE 49 2HD1 ILE 49 4.682 8.870 -6.239
334 H ASN 50 H ASN 50 6.645 8.968 -0.629
335 HA ASN 50 HA ASN 50 8.176 11.381 -1.168
336 HB2 ASN 50 2HB ASN 50 6.475 10.698 1.241
337 HB3 ASN 50 1HB ASN 50 7.309 12.224 0.990
338 HD21 ASN 50 1HD2 ASN 50 4.557 10.291 0.186
339 HD22 ASN 50 2HD2 ASN 50 3.778 11.503 -0.768
340 H CYS 51 H CYS 51 8.362 8.610 0.941
341 HA CYS 51 HA CYS 51 10.545 9.774 2.428
342 HB2 CYS 51 2HB CYS 51 9.485 6.941 2.518
343 HB3 CYS 51 1HB CYS 51 10.682 7.625 3.620
344 H ALA 52 H ALA 52 10.238 7.903 -0.408
345 HA ALA 52 HA ALA 52 12.790 6.670 -0.441
346 HB1 ALA 52 3HB ALA 52 11.108 7.561 -2.791
347 HB2 ALA 52 1HB ALA 52 11.021 6.008 -1.948
348 HB3 ALA 52 2HB ALA 52 12.480 6.447 -2.851
Start of MODEL 19
1 HA SER 1 HA SER 1 -12.783 6.891 2.511
2 HB2 SER 1 2HB SER 1 -12.249 3.913 2.790
3 HB3 SER 1 1HB SER 1 -11.381 5.185 3.640
4 HG SER 1 HG SER 1 -14.177 4.708 3.858
5 H VAL 2 H VAL 2 -10.530 7.248 2.049
6 HA VAL 2 HA VAL 2 -9.536 6.101 -0.460
7 HB VAL 2 HB VAL 2 -9.291 9.009 0.411
8 HG11 VAL 2 1HG1 VAL 2 -8.472 7.685 -2.173
9 HG12 VAL 2 2HG1 VAL 2 -7.384 8.238 -0.905
10 HG13 VAL 2 3HG1 VAL 2 -8.338 9.410 -1.817
11 HG21 VAL 2 3HG2 VAL 2 -10.998 7.828 -1.780
12 HG22 VAL 2 1HG2 VAL 2 -10.784 9.552 -1.494
13 HG23 VAL 2 2HG2 VAL 2 -11.585 8.543 -0.286
14 H CYS 3 H CYS 3 -7.298 5.561 -0.313
15 HA CYS 3 HA CYS 3 -6.212 5.953 2.370
16 HB2 CYS 3 2HB CYS 3 -5.050 3.971 2.141
17 HB3 CYS 3 1HB CYS 3 -6.351 3.590 1.048
18 H ALA 4 H ALA 4 -3.547 5.754 1.875
19 HA ALA 4 HA ALA 4 -3.001 8.338 0.604
20 HB1 ALA 4 1HB ALA 4 -2.006 7.935 2.833
21 HB2 ALA 4 2HB ALA 4 -0.748 8.095 1.611
22 HB3 ALA 4 3HB ALA 4 -1.187 6.505 2.203
23 H ALA 5 H ALA 5 -2.589 8.250 -1.531
24 HA ALA 5 HA ALA 5 -0.271 6.977 -2.551
25 HB1 ALA 5 1HB ALA 5 -2.939 5.856 -3.505
26 HB2 ALA 5 2HB ALA 5 -1.701 4.955 -2.654
27 HB3 ALA 5 3HB ALA 5 -1.395 5.528 -4.280
28 H GLN 6 H GLN 6 0.369 8.135 -4.421
29 HA GLN 6 HA GLN 6 -0.702 10.442 -5.250
30 HB2 GLN 6 2HB GLN 6 0.631 8.376 -7.052
31 HB3 GLN 6 1HB GLN 6 0.451 10.079 -7.449
32 HG2 GLN 6 2HG GLN 6 1.862 10.599 -5.519
33 HG3 GLN 6 1HG GLN 6 2.059 8.864 -5.221
34 HE21 GLN 6 1HE2 GLN 6 3.244 7.598 -6.711
35 HE22 GLN 6 2HE2 GLN 6 4.311 8.350 -7.842
36 H ASN 7 H ASN 7 -1.537 7.373 -6.442
37 HA ASN 7 HA ASN 7 -4.168 8.423 -7.245
38 HB2 ASN 7 2HB ASN 7 -2.962 8.204 -9.365
39 HB3 ASN 7 1HB ASN 7 -2.609 6.515 -9.006
40 HD21 ASN 7 1HD2 ASN 7 -3.641 5.885 -10.910
41 HD22 ASN 7 2HD2 ASN 7 -5.350 5.880 -11.109
42 H CYS 8 H CYS 8 -5.442 7.523 -5.732
43 HA CYS 8 HA CYS 8 -4.985 4.746 -5.194
44 HB2 CYS 8 2HB CYS 8 -5.078 6.112 -3.172
45 HB3 CYS 8 1HB CYS 8 -6.655 6.718 -3.648
46 H GLN 9 H GLN 9 -6.073 3.345 -6.152
47 HA GLN 9 HA GLN 9 -8.327 3.861 -7.832
48 HB2 GLN 9 2HB GLN 9 -7.112 1.255 -6.942
49 HB3 GLN 9 1HB GLN 9 -8.190 1.462 -8.312
50 HG2 GLN 9 2HG GLN 9 -6.501 2.821 -9.459
51 HG3 GLN 9 1HG GLN 9 -5.450 2.689 -8.043
52 HE21 GLN 9 1HE2 GLN 9 -3.815 1.763 -9.160
53 HE22 GLN 9 2HE2 GLN 9 -3.901 0.149 -9.769
54 H ARG 10 H ARG 10 -8.096 3.421 -4.580
55 HA ARG 10 HA ARG 10 -9.441 2.857 -2.818
56 HB2 ARG 10 2HB ARG 10 -11.617 3.441 -4.815
57 HB3 ARG 10 1HB ARG 10 -11.839 3.356 -3.075
58 HG2 ARG 10 2HG ARG 10 -10.294 5.286 -2.820
59 HG3 ARG 10 1HG ARG 10 -10.152 5.370 -4.570
60 HD2 ARG 10 2HD ARG 10 -11.765 6.999 -3.862
61 HD3 ARG 10 1HD ARG 10 -12.609 5.707 -4.701
62 HE ARG 10 HE ARG 10 -12.468 5.364 -1.848
63 HH11 ARG 10 1HH1 ARG 10 -14.403 6.756 -4.488
64 HH12 ARG 10 2HH1 ARG 10 -15.817 6.909 -3.561
65 HH21 ARG 10 1HH2 ARG 10 -14.431 5.571 -0.583
66 HH22 ARG 10 2HH2 ARG 10 -15.849 6.195 -1.283
67 HA PRO 11 HA PRO 11 -10.844 -1.350 -4.829
68 HB2 PRO 11 2HB PRO 11 -8.376 -2.624 -3.883
69 HB3 PRO 11 1HB PRO 11 -9.102 -2.665 -5.499
70 HG2 PRO 11 2HG PRO 11 -6.835 -1.317 -4.991
71 HG3 PRO 11 1HG PRO 11 -8.014 -0.753 -6.187
72 HD2 PRO 11 2HD PRO 11 -7.563 0.178 -3.359
73 HD3 PRO 11 1HD PRO 11 -7.859 1.133 -4.821
74 H CYS 12 H CYS 12 -12.010 -2.706 -3.572
75 HA CYS 12 HA CYS 12 -11.177 -3.229 -0.838
76 HB2 CYS 12 2HB CYS 12 -12.728 -1.348 -0.711
77 HB3 CYS 12 1HB CYS 12 -13.907 -2.250 -1.671
78 HG CYS 12 HG CYS 12 -14.632 -3.954 0.258
79 H LYS 13 H LYS 13 -11.096 -5.339 -0.609
80 HA LYS 13 HA LYS 13 -13.269 -7.024 -1.506
81 HB2 LYS 13 2HB LYS 13 -10.348 -7.622 -2.091
82 HB3 LYS 13 1HB LYS 13 -11.659 -8.765 -2.225
83 HG2 LYS 13 2HG LYS 13 -12.646 -7.345 -3.977
84 HG3 LYS 13 1HG LYS 13 -11.201 -6.317 -3.914
85 HD2 LYS 13 2HD LYS 13 -9.788 -8.184 -4.489
86 HD3 LYS 13 1HD LYS 13 -11.140 -9.302 -4.429
87 HE2 LYS 13 2HE LYS 13 -12.162 -8.029 -6.324
88 HE3 LYS 13 1HE LYS 13 -10.683 -7.073 -6.419
89 HZ1 LYS 13 3HZ LYS 13 -9.437 -9.136 -6.883
90 HZ2 LYS 13 1HZ LYS 13 -10.672 -8.914 -8.010
91 HZ3 LYS 13 2HZ LYS 13 -10.888 -10.010 -6.789
92 H ASP 14 H ASP 14 -12.856 -9.244 -0.473
93 HA ASP 14 HA ASP 14 -12.343 -8.882 2.284
94 HB2 ASP 14 2HB ASP 14 -12.700 -11.383 0.649
95 HB3 ASP 14 1HB ASP 14 -12.451 -11.400 2.384
96 H LYS 15 H LYS 15 -10.665 -11.076 -0.002
97 HA LYS 15 HA LYS 15 -8.408 -11.100 1.738
98 HB2 LYS 15 2HB LYS 15 -9.439 -13.051 0.415
99 HB3 LYS 15 1HB LYS 15 -8.659 -12.364 -0.991
100 HG2 LYS 15 2HG LYS 15 -7.270 -14.132 -0.162
101 HG3 LYS 15 1HG LYS 15 -6.458 -12.626 0.266
102 HD2 LYS 15 2HD LYS 15 -7.292 -12.764 2.524
103 HD3 LYS 15 1HD LYS 15 -8.287 -14.149 2.119
104 HE2 LYS 15 2HE LYS 15 -6.247 -15.442 1.622
105 HE3 LYS 15 1HE LYS 15 -5.275 -14.037 2.086
106 HZ1 LYS 15 3HZ LYS 15 -6.208 -14.174 4.307
107 HZ2 LYS 15 1HZ LYS 15 -5.509 -15.660 3.919
108 HZ3 LYS 15 2HZ LYS 15 -7.170 -15.463 3.869
109 H VAL 16 H VAL 16 -7.518 -8.977 1.556
110 HA VAL 16 HA VAL 16 -5.705 -8.665 -0.565
111 HB VAL 16 HB VAL 16 -7.617 -7.720 -1.792
112 HG11 VAL 16 1HG1 VAL 16 -8.677 -5.633 -1.056
113 HG12 VAL 16 2HG1 VAL 16 -7.789 -5.809 0.483
114 HG13 VAL 16 3HG1 VAL 16 -9.013 -7.007 0.013
115 HG21 VAL 16 3HG2 VAL 16 -5.690 -5.594 -0.902
116 HG22 VAL 16 1HG2 VAL 16 -6.657 -5.533 -2.368
117 HG23 VAL 16 2HG2 VAL 16 -5.406 -6.770 -2.183
118 H ASP 17 H ASP 17 -4.170 -8.452 0.643
119 HA ASP 17 HA ASP 17 -3.932 -7.035 3.065
120 HB2 ASP 17 2HB ASP 17 -1.744 -8.047 1.245
121 HB3 ASP 17 1HB ASP 17 -1.503 -7.500 2.907
122 H TRP 18 H TRP 18 -2.846 -5.222 3.648
123 HA TRP 18 HA TRP 18 -2.553 -3.074 1.646
124 HB2 TRP 18 2HB TRP 18 -3.449 -2.970 4.534
125 HB3 TRP 18 1HB TRP 18 -3.130 -1.555 3.538
126 HD1 TRP 18 HD TRP 18 -5.327 -4.689 2.844
127 HE1 TRP 18 1HE TRP 18 -7.642 -3.916 2.183
128 HE3 TRP 18 3HE TRP 18 -4.577 0.315 3.355
129 HZ2 TRP 18 2HZ TRP 18 -9.067 -1.396 1.959
130 HZ3 TRP 18 3HZ TRP 18 -6.430 1.848 2.920
131 HH2 TRP 18 HH TRP 18 -8.639 1.020 2.235
132 H VAL 19 H VAL 19 -0.798 -1.292 2.369
133 HA VAL 19 HA VAL 19 1.170 -2.531 4.051
134 HB VAL 19 HB VAL 19 2.933 -1.549 2.558
135 HG11 VAL 19 1HG1 VAL 19 1.158 -3.602 1.254
136 HG12 VAL 19 2HG1 VAL 19 2.527 -3.905 2.334
137 HG13 VAL 19 3HG1 VAL 19 2.791 -3.182 0.751
138 HG21 VAL 19 3HG2 VAL 19 0.652 -1.118 0.621
139 HG22 VAL 19 1HG2 VAL 19 2.357 -0.904 0.257
140 HG23 VAL 19 2HG2 VAL 19 1.565 0.151 1.429
141 H GLN 20 H GLN 20 2.039 -1.195 5.438
142 HA GLN 20 HA GLN 20 1.273 1.656 5.399
143 HB2 GLN 20 2HB GLN 20 0.698 0.447 7.479
144 HB3 GLN 20 1HB GLN 20 2.384 -0.035 7.669
145 HG2 GLN 20 2HG GLN 20 3.015 2.342 7.898
146 HG3 GLN 20 1HG GLN 20 1.335 2.810 7.767
147 HE21 GLN 20 1HE2 GLN 20 3.243 3.233 9.898
148 HE22 GLN 20 2HE2 GLN 20 2.588 2.597 11.328
149 H CYS 21 H CYS 21 2.881 3.209 5.210
150 HA CYS 21 HA CYS 21 5.522 2.110 4.736
151 HB2 CYS 21 2HB CYS 21 6.190 4.362 3.829
152 HB3 CYS 21 1HB CYS 21 4.688 3.836 3.126
153 H ASP 22 H ASP 22 6.662 1.707 6.333
154 HA ASP 22 HA ASP 22 6.342 3.107 8.888
155 HB2 ASP 22 2HB ASP 22 7.947 0.663 8.131
156 HB3 ASP 22 1HB ASP 22 8.145 1.441 9.690
157 H GLY 23 H GLY 23 7.643 4.319 6.500
158 HA2 GLY 23 2HA GLY 23 10.418 4.711 7.399
159 HA3 GLY 23 1HA GLY 23 9.744 5.190 5.853
160 H GLY 24 H GLY 24 7.460 6.194 8.034
161 HA2 GLY 24 2HA GLY 24 8.284 8.217 9.520
162 HA3 GLY 24 1HA GLY 24 8.606 8.879 7.931
163 H CYS 25 H CYS 25 6.056 7.650 6.799
164 HA CYS 25 HA CYS 25 4.423 9.937 7.666
165 HB2 CYS 25 2HB CYS 25 3.520 7.891 5.619
166 HB3 CYS 25 1HB CYS 25 3.019 9.565 5.802
167 H ASP 26 H ASP 26 4.570 6.559 8.045
168 HA ASP 26 HA ASP 26 3.358 4.923 9.012
169 HB2 ASP 26 2HB ASP 26 2.288 7.202 10.735
170 HB3 ASP 26 1HB ASP 26 2.071 5.496 11.056
171 H GLU 27 H GLU 27 2.148 6.373 6.706
172 HA GLU 27 HA GLU 27 -0.663 6.000 7.248
173 HB2 GLU 27 2HB GLU 27 0.745 7.275 4.910
174 HB3 GLU 27 1HB GLU 27 -0.997 7.112 4.969
175 HG2 GLU 27 2HG GLU 27 -0.898 8.382 7.160
176 HG3 GLU 27 1HG GLU 27 0.791 8.673 6.801
177 H TRP 28 H TRP 28 -1.970 5.072 5.405
178 HA TRP 28 HA TRP 28 -0.787 2.444 4.758
179 HB2 TRP 28 2HB TRP 28 -3.670 3.094 5.403
180 HB3 TRP 28 1HB TRP 28 -3.133 1.555 4.772
181 HD1 TRP 28 HD TRP 28 -2.669 3.780 7.893
182 HE1 TRP 28 1HE TRP 28 -2.025 2.242 9.867
183 HE3 TRP 28 3HE TRP 28 -2.245 -0.650 5.390
184 HZ2 TRP 28 2HZ TRP 28 -1.427 -0.495 10.298
185 HZ3 TRP 28 3HZ TRP 28 -1.648 -2.673 6.640
186 HH2 TRP 28 HH TRP 28 -1.250 -2.591 9.065
187 H PHE 29 H PHE 29 -0.701 1.716 2.851
188 HA PHE 29 HA PHE 29 -2.009 3.181 0.626
189 HB2 PHE 29 2HB PHE 29 0.666 1.730 0.571
190 HB3 PHE 29 1HB PHE 29 -0.017 2.744 -0.681
191 HD1 PHE 29 1HD PHE 29 1.101 2.867 2.845
192 HD2 PHE 29 2HD PHE 29 0.730 4.995 -0.815
193 HE1 PHE 29 1HE PHE 29 2.338 4.737 3.800
194 HE2 PHE 29 2HE PHE 29 1.972 6.866 0.145
195 HZ PHE 29 HZ PHE 29 2.773 6.718 2.502
196 H HIS 30 H HIS 30 -2.648 1.874 -1.109
197 HA HIS 30 HA HIS 30 -3.100 -1.015 -0.614
198 HB2 HIS 30 2HB HIS 30 -3.988 0.873 -2.719
199 HB3 HIS 30 1HB HIS 30 -4.223 -0.803 -3.064
200 HD2 HIS 30 2HD HIS 30 -6.174 -1.923 -1.112
201 HE1 HIS 30 1HE HIS 30 -8.003 1.897 -0.762
202 HE2 HIS 30 2HE HIS 30 -8.369 -0.608 -0.752
203 H GLN 31 H GLN 31 -2.037 -2.546 -1.644
204 HA GLN 31 HA GLN 31 0.429 -2.046 -2.784
205 HB2 GLN 31 2HB GLN 31 -1.271 -4.511 -2.977
206 HB3 GLN 31 1HB GLN 31 0.364 -4.432 -3.629
207 HG2 GLN 31 2HG GLN 31 1.253 -3.946 -1.460
208 HG3 GLN 31 1HG GLN 31 -0.357 -3.951 -0.752
209 HE21 GLN 31 1HE2 GLN 31 -1.394 -5.913 -0.435
210 HE22 GLN 31 2HE2 GLN 31 -0.570 -7.420 -0.571
211 H VAL 32 H VAL 32 -2.605 -2.696 -4.532
212 HA VAL 32 HA VAL 32 -1.325 -2.500 -7.061
213 HB VAL 32 HB VAL 32 -3.447 -3.715 -6.821
214 HG11 VAL 32 1HG1 VAL 32 -4.517 -0.997 -6.327
215 HG12 VAL 32 2HG1 VAL 32 -4.450 -2.297 -5.130
216 HG13 VAL 32 3HG1 VAL 32 -5.550 -2.419 -6.540
217 HG21 VAL 32 3HG2 VAL 32 -4.645 -2.719 -8.756
218 HG22 VAL 32 1HG2 VAL 32 -2.888 -2.816 -9.011
219 HG23 VAL 32 2HG2 VAL 32 -3.630 -1.287 -8.523
220 H CYS 33 H CYS 33 -2.960 -0.278 -5.058
221 HA CYS 33 HA CYS 33 -3.162 1.813 -7.042
222 HB2 CYS 33 2HB CYS 33 -4.359 3.135 -5.536
223 HB3 CYS 33 1HB CYS 33 -4.738 1.545 -5.009
224 H VAL 34 H VAL 34 -0.744 1.155 -4.457
225 HA VAL 34 HA VAL 34 0.611 3.561 -5.292
226 HB VAL 34 HB VAL 34 0.140 2.726 -2.787
227 HG11 VAL 34 1HG1 VAL 34 2.539 1.221 -3.369
228 HG12 VAL 34 2HG1 VAL 34 0.959 0.561 -2.981
229 HG13 VAL 34 3HG1 VAL 34 1.859 1.520 -1.776
230 HG21 VAL 34 3HG2 VAL 34 1.223 4.735 -3.368
231 HG22 VAL 34 1HG2 VAL 34 2.718 3.864 -3.730
232 HG23 VAL 34 2HG2 VAL 34 2.091 3.916 -2.061
233 H GLY 35 H GLY 35 0.374 0.738 -6.498
234 HA2 GLY 35 2HA GLY 35 1.712 -0.837 -7.635
235 HA3 GLY 35 1HA GLY 35 2.831 0.507 -7.786
236 H VAL 36 H VAL 36 1.846 -2.101 -5.455
237 HA VAL 36 HA VAL 36 4.643 -2.596 -4.831
238 HB VAL 36 HB VAL 36 2.139 -2.805 -3.129
239 HG11 VAL 36 1HG1 VAL 36 4.935 -3.803 -2.431
240 HG12 VAL 36 2HG1 VAL 36 3.484 -4.736 -2.699
241 HG13 VAL 36 3HG1 VAL 36 3.567 -3.666 -1.304
242 HG21 VAL 36 3HG2 VAL 36 3.303 -1.284 -1.578
243 HG22 VAL 36 1HG2 VAL 36 2.957 -0.569 -3.139
244 HG23 VAL 36 2HG2 VAL 36 4.602 -1.095 -2.761
245 H SER 37 H SER 37 5.103 -5.019 -4.902
246 HA SER 37 HA SER 37 2.998 -6.493 -6.110
247 HB2 SER 37 2HB SER 37 4.905 -8.100 -6.337
248 HB3 SER 37 1HB SER 37 5.169 -6.565 -7.154
249 HG SER 37 HG SER 37 6.985 -6.678 -6.073
250 HA PRO 38 HA PRO 38 1.556 -8.305 -2.387
251 HB2 PRO 38 2HB PRO 38 1.636 -11.015 -3.050
252 HB3 PRO 38 1HB PRO 38 0.310 -9.907 -3.417
253 HG2 PRO 38 2HG PRO 38 2.583 -10.778 -5.117
254 HG3 PRO 38 1HG PRO 38 0.869 -10.532 -5.575
255 HD2 PRO 38 2HD PRO 38 2.716 -8.722 -6.252
256 HD3 PRO 38 1HD PRO 38 1.129 -8.205 -5.650
257 H GLU 39 H GLU 39 4.436 -9.941 -3.711
258 HA GLU 39 HA GLU 39 5.115 -11.109 -1.282
259 HB2 GLU 39 2HB GLU 39 6.557 -10.735 -3.859
260 HB3 GLU 39 1HB GLU 39 7.089 -11.711 -2.505
261 HG2 GLU 39 2HG GLU 39 5.009 -13.037 -2.646
262 HG3 GLU 39 1HG GLU 39 4.528 -12.054 -4.029
263 H MET 40 H MET 40 5.765 -8.045 -2.683
264 HA MET 40 HA MET 40 8.184 -7.535 -1.250
265 HB2 MET 40 2HB MET 40 7.168 -6.053 -3.332
266 HB3 MET 40 1HB MET 40 6.248 -5.413 -2.064
267 HG2 MET 40 2HG MET 40 7.907 -4.455 -0.911
268 HG3 MET 40 1HG MET 40 9.168 -5.428 -1.673
269 HE1 MET 40 3HE MET 40 6.343 -3.521 -3.694
270 HE2 MET 40 1HE MET 40 7.064 -1.925 -3.853
271 HE3 MET 40 2HE MET 40 6.601 -2.526 -2.251
272 H ALA 41 H ALA 41 4.775 -7.083 -0.687
273 HA ALA 41 HA ALA 41 4.795 -5.567 1.635
274 HB1 ALA 41 1HB ALA 41 2.509 -6.459 1.960
275 HB2 ALA 41 2HB ALA 41 2.834 -7.704 0.757
276 HB3 ALA 41 3HB ALA 41 2.781 -6.039 0.278
277 H GLU 42 H GLU 42 5.104 -9.021 1.246
278 HA GLU 42 HA GLU 42 5.125 -9.452 4.149
279 HB2 GLU 42 2HB GLU 42 5.435 -11.487 1.959
280 HB3 GLU 42 1HB GLU 42 5.427 -11.861 3.669
281 HG2 GLU 42 2HG GLU 42 3.134 -10.950 3.822
282 HG3 GLU 42 1HG GLU 42 3.169 -10.656 2.085
283 H ASN 43 H ASN 43 7.577 -9.031 1.749
284 HA ASN 43 HA ASN 43 9.466 -10.312 3.576
285 HB2 ASN 43 2HB ASN 43 9.505 -10.077 0.607
286 HB3 ASN 43 1HB ASN 43 10.897 -10.602 1.551
287 HD21 ASN 43 1HD2 ASN 43 9.334 -12.059 -0.464
288 HD22 ASN 43 2HD2 ASN 43 8.725 -13.474 0.341
289 H GLU 44 H GLU 44 8.821 -7.366 1.773
290 HA GLU 44 HA GLU 44 11.490 -6.466 2.547
291 HB2 GLU 44 2HB GLU 44 9.959 -5.712 0.059
292 HB3 GLU 44 1HB GLU 44 11.553 -5.123 0.504
293 HG2 GLU 44 2HG GLU 44 12.487 -7.332 0.323
294 HG3 GLU 44 1HG GLU 44 10.914 -8.027 -0.020
295 H ASP 45 H ASP 45 11.676 -4.161 2.900
296 HA ASP 45 HA ASP 45 9.477 -3.218 4.495
297 HB2 ASP 45 2HB ASP 45 11.822 -3.130 5.257
298 HB3 ASP 45 1HB ASP 45 12.208 -2.031 3.947
299 H TYR 46 H TYR 46 7.921 -2.052 3.612
300 HA TYR 46 HA TYR 46 8.430 -0.728 1.123
301 HB2 TYR 46 2HB TYR 46 6.279 -1.898 1.276
302 HB3 TYR 46 1HB TYR 46 5.778 -0.794 2.562
303 HD1 TYR 46 1HD TYR 46 7.206 -0.551 -0.874
304 HD2 TYR 46 2HD TYR 46 4.387 0.940 1.924
305 HE1 TYR 46 1HE TYR 46 6.428 1.068 -2.544
306 HE2 TYR 46 2HE TYR 46 3.577 2.594 0.202
307 HH TYR 46 HH TYR 46 4.437 2.383 -3.040
308 H ILE 47 H ILE 47 9.422 0.815 1.146
309 HA ILE 47 HA ILE 47 8.893 3.193 2.812
310 HB ILE 47 HB ILE 47 11.058 2.783 0.708
311 HG12 ILE 47 2HG1 ILE 47 11.382 1.424 2.741
312 HG13 ILE 47 1HG1 ILE 47 12.627 2.665 2.606
313 HG21 ILE 47 1HG2 ILE 47 10.459 5.125 0.860
314 HG22 ILE 47 2HG2 ILE 47 12.044 4.879 1.650
315 HG23 ILE 47 3HG2 ILE 47 10.557 5.026 2.619
316 HD11 ILE 47 3HD1 ILE 47 10.220 2.717 4.430
317 HD12 ILE 47 1HD1 ILE 47 11.398 4.025 4.233
318 HD13 ILE 47 2HD1 ILE 47 11.912 2.475 4.880
319 H CYS 48 H CYS 48 7.871 5.209 1.849
320 HA CYS 48 HA CYS 48 6.615 4.521 -0.674
321 HB2 CYS 48 2HB CYS 48 4.863 5.963 -0.054
322 HB3 CYS 48 1HB CYS 48 5.280 5.176 1.456
323 H ILE 49 H ILE 49 6.073 6.654 -1.818
324 HA ILE 49 HA ILE 49 8.345 7.788 -2.934
325 HB ILE 49 HB ILE 49 6.249 7.749 -4.092
326 HG12 ILE 49 2HG1 ILE 49 7.005 10.596 -3.586
327 HG13 ILE 49 1HG1 ILE 49 7.918 9.480 -4.630
328 HG21 ILE 49 1HG2 ILE 49 4.728 8.044 -2.256
329 HG22 ILE 49 2HG2 ILE 49 4.387 9.222 -3.533
330 HG23 ILE 49 3HG2 ILE 49 5.247 9.718 -2.065
331 HD11 ILE 49 3HD1 ILE 49 6.019 9.242 -6.052
332 HD12 ILE 49 1HD1 ILE 49 6.416 10.956 -5.934
333 HD13 ILE 49 2HD1 ILE 49 5.049 10.273 -5.022
334 H ASN 50 H ASN 50 6.340 9.060 -0.289
335 HA ASN 50 HA ASN 50 7.784 11.564 -0.103
336 HB2 ASN 50 2HB ASN 50 5.823 10.304 1.841
337 HB3 ASN 50 1HB ASN 50 6.487 11.929 1.977
338 HD21 ASN 50 1HD2 ASN 50 5.698 13.547 0.660
339 HD22 ASN 50 2HD2 ASN 50 4.285 13.341 -0.299
340 H CYS 51 H CYS 51 7.905 8.472 1.439
341 HA CYS 51 HA CYS 51 9.705 9.246 3.536
342 HB2 CYS 51 2HB CYS 51 8.936 6.514 2.488
343 HB3 CYS 51 1HB CYS 51 10.145 6.745 3.726
344 H ALA 52 H ALA 52 10.070 8.324 0.291
345 HA ALA 52 HA ALA 52 12.874 7.571 0.554
346 HB1 ALA 52 3HB ALA 52 12.849 7.168 -1.834
347 HB2 ALA 52 1HB ALA 52 11.246 7.921 -1.938
348 HB3 ALA 52 2HB ALA 52 11.455 6.411 -1.040
Start of MODEL 20
1 HA SER 1 HA SER 1 -12.766 7.764 2.458
2 HB2 SER 1 2HB SER 1 -12.386 4.855 3.263
3 HB3 SER 1 1HB SER 1 -11.563 6.249 3.960
4 HG SER 1 HG SER 1 -14.354 6.209 3.933
5 H VAL 2 H VAL 2 -10.428 7.842 2.037
6 HA VAL 2 HA VAL 2 -9.627 6.274 -0.292
7 HB VAL 2 HB VAL 2 -9.003 9.199 0.235
8 HG11 VAL 2 1HG1 VAL 2 -8.077 9.210 -2.059
9 HG12 VAL 2 2HG1 VAL 2 -8.396 7.478 -2.158
10 HG13 VAL 2 3HG1 VAL 2 -7.227 8.091 -0.983
11 HG21 VAL 2 3HG2 VAL 2 -10.442 9.693 -1.735
12 HG22 VAL 2 1HG2 VAL 2 -11.341 8.974 -0.395
13 HG23 VAL 2 2HG2 VAL 2 -10.895 7.985 -1.781
14 H CYS 3 H CYS 3 -7.399 5.553 -0.185
15 HA CYS 3 HA CYS 3 -6.219 5.833 2.462
16 HB2 CYS 3 2HB CYS 3 -5.144 3.823 2.072
17 HB3 CYS 3 1HB CYS 3 -6.473 3.625 0.927
18 H ALA 4 H ALA 4 -3.513 5.627 1.998
19 HA ALA 4 HA ALA 4 -2.855 8.191 0.749
20 HB1 ALA 4 1HB ALA 4 -0.600 7.759 1.727
21 HB2 ALA 4 2HB ALA 4 -1.155 6.211 2.328
22 HB3 ALA 4 3HB ALA 4 -1.872 7.701 2.947
23 H ALA 5 H ALA 5 -2.514 8.081 -1.397
24 HA ALA 5 HA ALA 5 -0.236 6.758 -2.411
25 HB1 ALA 5 1HB ALA 5 -1.792 4.776 -2.541
26 HB2 ALA 5 2HB ALA 5 -1.272 5.319 -4.125
27 HB3 ALA 5 3HB ALA 5 -2.870 5.746 -3.541
28 H GLN 6 H GLN 6 0.470 7.864 -4.307
29 HA GLN 6 HA GLN 6 -0.380 10.236 -5.128
30 HB2 GLN 6 2HB GLN 6 0.570 7.991 -6.920
31 HB3 GLN 6 1HB GLN 6 0.643 9.706 -7.295
32 HG2 GLN 6 2HG GLN 6 2.285 10.022 -5.573
33 HG3 GLN 6 1HG GLN 6 2.092 8.356 -5.029
34 HE21 GLN 6 1HE2 GLN 6 2.958 6.653 -6.281
35 HE22 GLN 6 2HE2 GLN 6 4.077 6.956 -7.549
36 H ASN 7 H ASN 7 -1.413 7.248 -6.362
37 HA ASN 7 HA ASN 7 -4.035 8.398 -7.084
38 HB2 ASN 7 2HB ASN 7 -2.814 8.255 -9.225
39 HB3 ASN 7 1HB ASN 7 -2.563 6.534 -8.987
40 HD21 ASN 7 1HD2 ASN 7 -4.897 9.027 -9.734
41 HD22 ASN 7 2HD2 ASN 7 -6.106 7.975 -10.360
42 H CYS 8 H CYS 8 -5.372 7.491 -5.727
43 HA CYS 8 HA CYS 8 -4.951 4.715 -5.256
44 HB2 CYS 8 2HB CYS 8 -5.091 5.999 -3.235
45 HB3 CYS 8 1HB CYS 8 -6.675 6.634 -3.711
46 H GLN 9 H GLN 9 -6.027 3.331 -6.333
47 HA GLN 9 HA GLN 9 -8.279 3.806 -7.981
48 HB2 GLN 9 2HB GLN 9 -7.168 1.215 -6.934
49 HB3 GLN 9 1HB GLN 9 -8.247 1.380 -8.297
50 HG2 GLN 9 2HG GLN 9 -6.484 2.625 -9.521
51 HG3 GLN 9 1HG GLN 9 -5.431 2.434 -8.126
52 HE21 GLN 9 1HE2 GLN 9 -3.886 1.274 -9.294
53 HE22 GLN 9 2HE2 GLN 9 -4.158 -0.336 -9.826
54 H ARG 10 H ARG 10 -8.048 3.504 -4.715
55 HA ARG 10 HA ARG 10 -9.343 2.988 -2.924
56 HB2 ARG 10 2HB ARG 10 -10.481 4.927 -4.014
57 HB3 ARG 10 1HB ARG 10 -11.546 3.785 -4.824
58 HG2 ARG 10 2HG ARG 10 -12.442 3.092 -2.662
59 HG3 ARG 10 1HG ARG 10 -11.340 4.211 -1.842
60 HD2 ARG 10 2HD ARG 10 -12.367 6.067 -3.041
61 HD3 ARG 10 1HD ARG 10 -13.505 4.931 -3.799
62 HE ARG 10 HE ARG 10 -13.339 5.101 -0.898
63 HH11 ARG 10 1HH1 ARG 10 -15.166 5.791 -3.858
64 HH12 ARG 10 2HH1 ARG 10 -16.655 6.042 -3.058
65 HH21 ARG 10 1HH2 ARG 10 -15.416 5.520 0.217
66 HH22 ARG 10 2HH2 ARG 10 -16.780 5.910 -0.734
67 HA PRO 11 HA PRO 11 -11.145 -1.126 -4.745
68 HB2 PRO 11 2HB PRO 11 -8.716 -2.545 -4.082
69 HB3 PRO 11 1HB PRO 11 -9.485 -2.426 -5.674
70 HG2 PRO 11 2HG PRO 11 -7.121 -1.294 -5.099
71 HG3 PRO 11 1HG PRO 11 -8.277 -0.547 -6.236
72 HD2 PRO 11 2HD PRO 11 -7.746 0.087 -3.358
73 HD3 PRO 11 1HD PRO 11 -7.938 1.195 -4.745
74 H CYS 12 H CYS 12 -12.127 -2.630 -3.470
75 HA CYS 12 HA CYS 12 -11.198 -3.035 -0.716
76 HB2 CYS 12 2HB CYS 12 -13.037 -1.385 -0.697
77 HB3 CYS 12 1HB CYS 12 -14.031 -2.483 -1.643
78 HG CYS 12 HG CYS 12 -14.991 -3.814 0.322
79 H LYS 13 H LYS 13 -10.741 -5.156 -0.557
80 HA LYS 13 HA LYS 13 -12.750 -7.105 -1.304
81 HB2 LYS 13 2HB LYS 13 -9.849 -7.341 -2.162
82 HB3 LYS 13 1HB LYS 13 -11.022 -8.644 -2.193
83 HG2 LYS 13 2HG LYS 13 -12.341 -7.341 -3.800
84 HG3 LYS 13 1HG LYS 13 -11.028 -6.164 -3.877
85 HD2 LYS 13 2HD LYS 13 -9.461 -7.868 -4.587
86 HD3 LYS 13 1HD LYS 13 -10.709 -9.093 -4.461
87 HE2 LYS 13 2HE LYS 13 -11.991 -7.966 -6.220
88 HE3 LYS 13 1HE LYS 13 -10.714 -6.753 -6.379
89 HZ1 LYS 13 3HZ LYS 13 -9.176 -8.590 -6.972
90 HZ2 LYS 13 1HZ LYS 13 -10.476 -8.480 -8.055
91 HZ3 LYS 13 2HZ LYS 13 -10.460 -9.667 -6.893
92 H ASP 14 H ASP 14 -12.556 -9.005 -0.039
93 HA ASP 14 HA ASP 14 -11.496 -8.730 2.570
94 HB2 ASP 14 2HB ASP 14 -12.344 -11.223 1.079
95 HB3 ASP 14 1HB ASP 14 -12.128 -11.098 2.810
96 H LYS 15 H LYS 15 -9.995 -9.423 -0.329
97 HA LYS 15 HA LYS 15 -7.833 -10.929 0.962
98 HB2 LYS 15 2HB LYS 15 -9.003 -11.487 -1.781
99 HB3 LYS 15 1HB LYS 15 -7.540 -12.210 -1.144
100 HG2 LYS 15 2HG LYS 15 -8.806 -13.237 0.665
101 HG3 LYS 15 1HG LYS 15 -10.268 -12.436 0.086
102 HD2 LYS 15 2HD LYS 15 -10.150 -13.723 -2.003
103 HD3 LYS 15 1HD LYS 15 -8.654 -14.484 -1.434
104 HE2 LYS 15 2HE LYS 15 -9.823 -15.443 0.452
105 HE3 LYS 15 1HE LYS 15 -11.333 -14.687 -0.062
106 HZ1 LYS 15 3HZ LYS 15 -11.145 -17.015 -0.654
107 HZ2 LYS 15 1HZ LYS 15 -9.817 -16.721 -1.620
108 HZ3 LYS 15 2HZ LYS 15 -11.350 -16.072 -2.011
109 H VAL 16 H VAL 16 -7.644 -8.270 0.844
110 HA VAL 16 HA VAL 16 -5.401 -8.053 -0.943
111 HB VAL 16 HB VAL 16 -7.103 -6.887 -2.268
112 HG11 VAL 16 1HG1 VAL 16 -7.495 -5.199 0.138
113 HG12 VAL 16 2HG1 VAL 16 -8.635 -6.387 -0.487
114 HG13 VAL 16 3HG1 VAL 16 -8.278 -4.914 -1.431
115 HG21 VAL 16 3HG2 VAL 16 -5.317 -4.900 -0.912
116 HG22 VAL 16 1HG2 VAL 16 -6.004 -4.710 -2.522
117 HG23 VAL 16 2HG2 VAL 16 -4.786 -5.965 -2.204
118 H ASP 17 H ASP 17 -4.061 -8.128 0.542
119 HA ASP 17 HA ASP 17 -4.072 -6.700 2.965
120 HB2 ASP 17 2HB ASP 17 -1.729 -7.924 1.504
121 HB3 ASP 17 1HB ASP 17 -1.681 -7.317 3.167
122 H TRP 18 H TRP 18 -2.984 -4.969 3.673
123 HA TRP 18 HA TRP 18 -2.472 -2.872 1.678
124 HB2 TRP 18 2HB TRP 18 -3.367 -2.716 4.568
125 HB3 TRP 18 1HB TRP 18 -3.020 -1.320 3.561
126 HD1 TRP 18 HD TRP 18 -5.242 -4.432 2.881
127 HE1 TRP 18 1HE TRP 18 -7.546 -3.667 2.200
128 HE3 TRP 18 3HE TRP 18 -4.510 0.598 3.371
129 HZ2 TRP 18 2HZ TRP 18 -8.963 -1.162 1.943
130 HZ3 TRP 18 3HZ TRP 18 -6.371 2.097 2.901
131 HH2 TRP 18 HH TRP 18 -8.564 1.236 2.205
132 H VAL 19 H VAL 19 -0.683 -1.191 2.361
133 HA VAL 19 HA VAL 19 1.260 -2.537 4.017
134 HB VAL 19 HB VAL 19 3.067 -1.723 2.498
135 HG11 VAL 19 1HG1 VAL 19 2.320 -4.009 2.257
136 HG12 VAL 19 2HG1 VAL 19 2.698 -3.325 0.661
137 HG13 VAL 19 3HG1 VAL 19 1.025 -3.499 1.178
138 HG21 VAL 19 3HG2 VAL 19 2.529 -0.947 0.246
139 HG22 VAL 19 1HG2 VAL 19 1.868 0.131 1.467
140 HG23 VAL 19 2HG2 VAL 19 0.798 -0.986 0.619
141 H GLN 20 H GLN 20 2.410 -1.257 5.295
142 HA GLN 20 HA GLN 20 1.620 1.590 5.454
143 HB2 GLN 20 2HB GLN 20 1.014 0.180 7.406
144 HB3 GLN 20 1HB GLN 20 2.711 -0.225 7.637
145 HG2 GLN 20 2HG GLN 20 3.163 2.182 8.066
146 HG3 GLN 20 1HG GLN 20 1.439 2.476 7.915
147 HE21 GLN 20 1HE2 GLN 20 1.273 3.229 9.971
148 HE22 GLN 20 2HE2 GLN 20 1.381 2.224 11.365
149 H CYS 21 H CYS 21 3.232 3.180 5.392
150 HA CYS 21 HA CYS 21 5.919 2.134 4.903
151 HB2 CYS 21 2HB CYS 21 6.494 4.396 3.929
152 HB3 CYS 21 1HB CYS 21 5.048 3.734 3.218
153 H ASP 22 H ASP 22 7.090 1.801 6.660
154 HA ASP 22 HA ASP 22 6.654 3.506 8.975
155 HB2 ASP 22 2HB ASP 22 8.076 1.872 10.164
156 HB3 ASP 22 1HB ASP 22 6.700 1.094 9.414
157 H GLY 23 H GLY 23 7.934 4.447 6.572
158 HA2 GLY 23 2HA GLY 23 10.737 4.840 7.314
159 HA3 GLY 23 1HA GLY 23 9.975 5.358 5.805
160 H GLY 24 H GLY 24 7.737 6.271 8.017
161 HA2 GLY 24 2HA GLY 24 8.471 8.221 9.631
162 HA3 GLY 24 1HA GLY 24 8.833 8.959 8.088
163 H CYS 25 H CYS 25 6.234 7.436 7.068
164 HA CYS 25 HA CYS 25 4.481 9.676 7.879
165 HB2 CYS 25 2HB CYS 25 3.857 7.610 5.782
166 HB3 CYS 25 1HB CYS 25 3.144 9.202 5.979
167 H ASP 26 H ASP 26 4.750 6.179 8.030
168 HA ASP 26 HA ASP 26 3.557 4.503 8.989
169 HB2 ASP 26 2HB ASP 26 2.397 6.704 10.755
170 HB3 ASP 26 1HB ASP 26 2.206 4.999 11.040
171 H GLU 27 H GLU 27 2.350 6.097 6.771
172 HA GLU 27 HA GLU 27 -0.513 5.918 7.245
173 HB2 GLU 27 2HB GLU 27 0.998 6.792 4.765
174 HB3 GLU 27 1HB GLU 27 -0.733 6.906 4.981
175 HG2 GLU 27 2HG GLU 27 -0.424 8.444 6.846
176 HG3 GLU 27 1HG GLU 27 1.320 8.295 6.680
177 H TRP 28 H TRP 28 -1.836 4.955 5.407
178 HA TRP 28 HA TRP 28 -0.768 2.270 4.857
179 HB2 TRP 28 2HB TRP 28 -3.606 3.025 5.572
180 HB3 TRP 28 1HB TRP 28 -3.120 1.442 4.994
181 HD1 TRP 28 HD TRP 28 -2.761 3.714 8.058
182 HE1 TRP 28 1HE TRP 28 -2.003 2.264 10.044
183 HE3 TRP 28 3HE TRP 28 -1.937 -0.683 5.584
184 HZ2 TRP 28 2HZ TRP 28 -1.171 -0.397 10.513
185 HZ3 TRP 28 3HZ TRP 28 -1.163 -2.637 6.882
186 HH2 TRP 28 HH TRP 28 -0.799 -2.497 9.272
187 H PHE 29 H PHE 29 -0.665 1.613 2.924
188 HA PHE 29 HA PHE 29 -2.032 3.103 0.748
189 HB2 PHE 29 2HB PHE 29 0.623 1.607 0.609
190 HB3 PHE 29 1HB PHE 29 -0.063 2.652 -0.606
191 HD1 PHE 29 1HD PHE 29 1.140 2.723 2.909
192 HD2 PHE 29 2HD PHE 29 0.725 4.854 -0.745
193 HE1 PHE 29 1HE PHE 29 2.457 4.547 3.836
194 HE2 PHE 29 2HE PHE 29 2.058 6.700 0.191
195 HZ PHE 29 HZ PHE 29 2.937 6.515 2.517
196 H HIS 30 H HIS 30 -2.574 1.779 -1.111
197 HA HIS 30 HA HIS 30 -3.158 -1.079 -0.537
198 HB2 HIS 30 2HB HIS 30 -3.964 0.848 -2.608
199 HB3 HIS 30 1HB HIS 30 -4.223 -0.790 -3.048
200 HD2 HIS 30 2HD HIS 30 -6.198 -1.955 -1.049
201 HE1 HIS 30 1HE HIS 30 -8.049 1.856 -0.810
202 HE2 HIS 30 2HE HIS 30 -8.392 -0.653 -0.754
203 H GLN 31 H GLN 31 -2.035 -2.660 -1.466
204 HA GLN 31 HA GLN 31 0.380 -2.194 -2.703
205 HB2 GLN 31 2HB GLN 31 -1.315 -4.688 -2.768
206 HB3 GLN 31 1HB GLN 31 0.292 -4.600 -3.491
207 HG2 GLN 31 2HG GLN 31 1.242 -4.026 -1.315
208 HG3 GLN 31 1HG GLN 31 -0.352 -4.100 -0.600
209 HE21 GLN 31 1HE2 GLN 31 -1.227 -6.059 -0.169
210 HE22 GLN 31 2HE2 GLN 31 -0.391 -7.556 -0.293
211 H VAL 32 H VAL 32 -2.725 -2.749 -4.317
212 HA VAL 32 HA VAL 32 -1.505 -2.719 -6.888
213 HB VAL 32 HB VAL 32 -3.650 -3.861 -6.555
214 HG11 VAL 32 1HG1 VAL 32 -4.573 -2.375 -4.901
215 HG12 VAL 32 2HG1 VAL 32 -5.707 -2.498 -6.282
216 HG13 VAL 32 3HG1 VAL 32 -4.619 -1.097 -6.109
217 HG21 VAL 32 3HG2 VAL 32 -3.888 -1.496 -8.337
218 HG22 VAL 32 1HG2 VAL 32 -4.856 -2.963 -8.494
219 HG23 VAL 32 2HG2 VAL 32 -3.105 -3.031 -8.809
220 H CYS 33 H CYS 33 -3.071 -0.361 -4.968
221 HA CYS 33 HA CYS 33 -3.156 1.669 -7.039
222 HB2 CYS 33 2HB CYS 33 -4.231 3.134 -5.576
223 HB3 CYS 33 1HB CYS 33 -4.797 1.583 -5.074
224 H VAL 34 H VAL 34 -0.759 0.940 -4.528
225 HA VAL 34 HA VAL 34 0.674 3.260 -5.460
226 HB VAL 34 HB VAL 34 0.247 2.489 -2.926
227 HG11 VAL 34 1HG1 VAL 34 2.678 1.006 -3.459
228 HG12 VAL 34 2HG1 VAL 34 1.092 0.339 -3.121
229 HG13 VAL 34 3HG1 VAL 34 1.925 1.317 -1.893
230 HG21 VAL 34 3HG2 VAL 34 1.292 4.459 -3.672
231 HG22 VAL 34 1HG2 VAL 34 2.819 3.602 -3.927
232 HG23 VAL 34 2HG2 VAL 34 2.130 3.760 -2.272
233 H GLY 35 H GLY 35 0.333 0.391 -6.561
234 HA2 GLY 35 2HA GLY 35 1.603 -1.273 -7.652
235 HA3 GLY 35 1HA GLY 35 2.761 0.002 -7.911
236 H VAL 36 H VAL 36 1.777 -2.450 -5.424
237 HA VAL 36 HA VAL 36 4.578 -2.990 -4.826
238 HB VAL 36 HB VAL 36 2.113 -3.033 -3.048
239 HG11 VAL 36 1HG1 VAL 36 4.843 -4.188 -2.491
240 HG12 VAL 36 2HG1 VAL 36 3.272 -4.957 -2.424
241 HG13 VAL 36 3HG1 VAL 36 3.699 -3.784 -1.203
242 HG21 VAL 36 3HG2 VAL 36 4.637 -1.391 -2.840
243 HG22 VAL 36 1HG2 VAL 36 3.363 -1.477 -1.614
244 HG23 VAL 36 2HG2 VAL 36 2.995 -0.847 -3.213
245 H SER 37 H SER 37 4.995 -5.396 -4.617
246 HA SER 37 HA SER 37 2.852 -6.863 -5.804
247 HB2 SER 37 2HB SER 37 4.734 -8.502 -6.131
248 HB3 SER 37 1HB SER 37 4.994 -6.977 -6.990
249 HG SER 37 HG SER 37 6.885 -7.341 -5.962
250 HA PRO 38 HA PRO 38 1.841 -8.610 -1.851
251 HB2 PRO 38 2HB PRO 38 1.646 -11.315 -2.500
252 HB3 PRO 38 1HB PRO 38 0.383 -10.112 -2.799
253 HG2 PRO 38 2HG PRO 38 2.499 -11.116 -4.644
254 HG3 PRO 38 1HG PRO 38 0.772 -10.894 -4.967
255 HD2 PRO 38 2HD PRO 38 2.528 -9.098 -5.837
256 HD3 PRO 38 1HD PRO 38 1.023 -8.532 -5.104
257 H GLU 39 H GLU 39 4.568 -9.954 -3.628
258 HA GLU 39 HA GLU 39 5.617 -11.449 -1.500
259 HB2 GLU 39 2HB GLU 39 6.672 -10.545 -4.167
260 HB3 GLU 39 1HB GLU 39 7.556 -11.545 -3.027
261 HG2 GLU 39 2HG GLU 39 5.814 -13.268 -3.194
262 HG3 GLU 39 1HG GLU 39 4.917 -12.239 -4.295
263 H MET 40 H MET 40 5.838 -8.134 -2.568
264 HA MET 40 HA MET 40 8.313 -7.625 -1.231
265 HB2 MET 40 2HB MET 40 7.236 -6.143 -3.191
266 HB3 MET 40 1HB MET 40 6.316 -5.491 -1.873
267 HG2 MET 40 2HG MET 40 8.082 -4.684 -0.732
268 HG3 MET 40 1HG MET 40 9.321 -5.502 -1.711
269 HE1 MET 40 3HE MET 40 7.328 -2.334 -1.012
270 HE2 MET 40 1HE MET 40 6.210 -3.020 -2.187
271 HE3 MET 40 2HE MET 40 7.100 -1.558 -2.588
272 H ALA 41 H ALA 41 4.905 -7.260 -0.537
273 HA ALA 41 HA ALA 41 5.041 -5.726 1.757
274 HB1 ALA 41 1HB ALA 41 2.770 -6.500 2.245
275 HB2 ALA 41 2HB ALA 41 2.953 -7.832 1.098
276 HB3 ALA 41 3HB ALA 41 2.945 -6.173 0.527
277 H GLU 42 H GLU 42 5.134 -9.208 1.534
278 HA GLU 42 HA GLU 42 5.549 -9.401 4.399
279 HB2 GLU 42 2HB GLU 42 5.327 -11.627 2.389
280 HB3 GLU 42 1HB GLU 42 5.692 -11.924 4.081
281 HG2 GLU 42 2HG GLU 42 3.577 -10.804 4.679
282 HG3 GLU 42 1HG GLU 42 3.173 -10.680 2.965
283 H ASN 43 H ASN 43 7.716 -9.033 1.818
284 HA ASN 43 HA ASN 43 9.803 -10.402 3.340
285 HB2 ASN 43 2HB ASN 43 9.536 -9.941 0.416
286 HB3 ASN 43 1HB ASN 43 11.075 -10.363 1.165
287 HD21 ASN 43 1HD2 ASN 43 9.438 -11.810 -0.762
288 HD22 ASN 43 2HD2 ASN 43 9.104 -13.352 -0.039
289 H GLU 44 H GLU 44 9.105 -7.281 1.758
290 HA GLU 44 HA GLU 44 11.734 -6.428 2.739
291 HB2 GLU 44 2HB GLU 44 10.580 -5.796 0.028
292 HB3 GLU 44 1HB GLU 44 12.038 -5.058 0.689
293 HG2 GLU 44 2HG GLU 44 13.094 -7.255 0.832
294 HG3 GLU 44 1HG GLU 44 11.652 -7.995 0.148
295 H ASP 45 H ASP 45 12.017 -4.010 2.740
296 HA ASP 45 HA ASP 45 9.939 -2.884 4.296
297 HB2 ASP 45 2HB ASP 45 11.501 -0.947 4.507
298 HB3 ASP 45 1HB ASP 45 12.225 -2.483 4.958
299 H TYR 46 H TYR 46 8.286 -1.917 3.577
300 HA TYR 46 HA TYR 46 8.262 -0.732 0.986
301 HB2 TYR 46 2HB TYR 46 6.206 -1.829 1.512
302 HB3 TYR 46 1HB TYR 46 6.033 -0.951 3.035
303 HD1 TYR 46 1HD TYR 46 5.835 -0.659 -0.663
304 HD2 TYR 46 2HD TYR 46 5.081 1.254 3.067
305 HE1 TYR 46 1HE TYR 46 4.546 1.157 -1.809
306 HE2 TYR 46 2HE TYR 46 3.840 3.001 1.906
307 HH TYR 46 HH TYR 46 2.855 2.722 -1.203
308 H ILE 47 H ILE 47 9.288 0.903 0.846
309 HA ILE 47 HA ILE 47 8.932 3.270 2.599
310 HB ILE 47 HB ILE 47 10.895 2.998 0.270
311 HG12 ILE 47 2HG1 ILE 47 11.428 1.374 2.048
312 HG13 ILE 47 1HG1 ILE 47 12.642 2.651 1.967
313 HG21 ILE 47 1HG2 ILE 47 10.337 5.300 0.802
314 HG22 ILE 47 2HG2 ILE 47 11.992 4.958 1.329
315 HG23 ILE 47 3HG2 ILE 47 10.657 4.955 2.511
316 HD11 ILE 47 3HD1 ILE 47 10.416 2.419 3.985
317 HD12 ILE 47 1HD1 ILE 47 11.615 3.709 3.927
318 HD13 ILE 47 2HD1 ILE 47 12.110 2.049 4.270
319 H CYS 48 H CYS 48 7.960 5.349 1.660
320 HA CYS 48 HA CYS 48 6.456 4.683 -0.736
321 HB2 CYS 48 2HB CYS 48 4.824 6.206 0.007
322 HB3 CYS 48 1HB CYS 48 5.262 5.331 1.469
323 H ILE 49 H ILE 49 5.899 6.806 -1.837
324 HA ILE 49 HA ILE 49 8.090 7.939 -3.086
325 HB ILE 49 HB ILE 49 5.885 7.941 -4.053
326 HG12 ILE 49 2HG1 ILE 49 6.909 10.719 -3.590
327 HG13 ILE 49 1HG1 ILE 49 7.544 9.606 -4.791
328 HG21 ILE 49 1HG2 ILE 49 4.132 9.495 -3.319
329 HG22 ILE 49 2HG2 ILE 49 5.135 9.951 -1.958
330 HG23 ILE 49 3HG2 ILE 49 4.521 8.293 -2.082
331 HD11 ILE 49 3HD1 ILE 49 5.407 9.562 -5.885
332 HD12 ILE 49 1HD1 ILE 49 6.047 11.216 -5.837
333 HD13 ILE 49 2HD1 ILE 49 4.768 10.708 -4.715
334 H ASN 50 H ASN 50 6.398 9.179 -0.167
335 HA ASN 50 HA ASN 50 8.065 11.537 -0.230
336 HB2 ASN 50 2HB ASN 50 5.916 10.773 1.781
337 HB3 ASN 50 1HB ASN 50 6.843 12.271 1.801
338 HD21 ASN 50 1HD2 ASN 50 4.230 10.535 0.353
339 HD22 ASN 50 2HD2 ASN 50 3.675 11.863 -0.610
340 H CYS 51 H CYS 51 7.998 8.504 1.394
341 HA CYS 51 HA CYS 51 9.817 9.252 3.459
342 HB2 CYS 51 2HB CYS 51 8.970 6.555 2.389
343 HB3 CYS 51 1HB CYS 51 10.255 6.681 3.555
344 H ALA 52 H ALA 52 10.126 8.389 0.195
345 HA ALA 52 HA ALA 52 12.940 7.654 0.379
346 HB1 ALA 52 3HB ALA 52 12.847 7.247 -2.008
347 HB2 ALA 52 1HB ALA 52 11.240 7.990 -2.075
348 HB3 ALA 52 2HB ALA 52 11.477 6.495 -1.164