Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
6374 | 1iw4 RC | 5348 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 1H ALA 1 9.769 -0.130 -0.172
2 2H ALA 1 2H ALA 1 11.482 -0.032 -0.136
3 3H ALA 1 3H ALA 1 10.671 -1.260 0.748
4 HA ALA 1 HA ALA 1 11.145 -1.009 -2.113
5 1HB ALA 1 1HB ALA 1 11.081 -3.600 -0.715
6 2HB ALA 1 2HB ALA 1 12.328 -2.473 -0.182
7 3HB ALA 1 3HB ALA 1 12.246 -2.961 -1.875
8 H HIS 2 H HIS 2 10.012 -2.615 -3.481
9 HA HIS 2 HA HIS 2 7.194 -2.382 -3.177
10 1HB HIS 2 2HB HIS 2 8.656 -4.231 -5.068
11 2HB HIS 2 1HB HIS 2 7.032 -3.579 -5.251
12 HD1 HIS 2 1HD HIS 2 10.647 -2.485 -5.358
13 HD2 HIS 2 2HD HIS 2 6.888 -1.157 -6.527
14 HE1 HIS 2 1HE HIS 2 11.064 -0.449 -6.773
15 HE2 HIS 2 2HE HIS 2 8.772 0.389 -7.396
16 H MET 3 H MET 3 6.811 -3.339 -1.156
17 HA MET 3 HA MET 3 7.453 -6.109 -0.698
18 1HB MET 3 2HB MET 3 6.399 -3.886 0.854
19 2HB MET 3 1HB MET 3 5.589 -5.404 1.224
20 1HG MET 3 2HG MET 3 7.659 -6.451 1.787
21 2HG MET 3 1HG MET 3 8.575 -5.054 1.226
22 1HE MET 3 1HE MET 3 8.712 -6.609 4.105
23 2HE MET 3 2HE MET 3 6.961 -6.803 4.182
24 3HE MET 3 3HE MET 3 7.796 -5.843 5.402
25 H ASP 4 H ASP 4 5.421 -7.296 0.478
26 HA ASP 4 HA ASP 4 3.963 -8.568 -1.410
27 1HB ASP 4 2HB ASP 4 4.082 -8.702 1.293
28 2HB ASP 4 1HB ASP 4 2.456 -8.058 1.086
29 H CYS 5 H CYS 5 2.650 -7.833 -2.951
30 HA CYS 5 HA CYS 5 0.881 -5.577 -2.308
31 1HB CYS 5 2HB CYS 5 2.609 -6.123 -4.561
32 2HB CYS 5 1HB CYS 5 0.954 -5.855 -5.096
33 H THR 6 H THR 6 -1.270 -5.526 -3.119
34 HA THR 6 HA THR 6 -2.647 -8.002 -2.934
35 HB THR 6 HB THR 6 -3.852 -5.589 -4.249
36 HG1 THR 6 1HG THR 6 -2.975 -5.791 -1.573
37 1HG2 THR 6 1HG2 THR 6 -4.842 -7.469 -2.120
38 2HG2 THR 6 2HG2 THR 6 -5.290 -7.499 -3.826
39 3HG2 THR 6 3HG2 THR 6 -5.747 -6.125 -2.818
40 H GLU 7 H GLU 7 -0.928 -6.592 -5.633
41 HA GLU 7 HA GLU 7 -2.384 -7.001 -7.854
42 1HB GLU 7 2HB GLU 7 -0.253 -7.685 -8.979
43 2HB GLU 7 1HB GLU 7 -0.144 -6.219 -8.015
44 1HG GLU 7 2HG GLU 7 1.379 -7.095 -6.646
45 2HG GLU 7 1HG GLU 7 0.514 -8.626 -6.515
46 H PHE 8 H PHE 8 -3.915 -8.697 -7.284
47 HA PHE 8 HA PHE 8 -3.224 -11.153 -8.552
48 1HB PHE 8 2HB PHE 8 -3.977 -12.572 -6.545
49 2HB PHE 8 1HB PHE 8 -2.351 -11.917 -6.523
50 HD1 PHE 8 1HD PHE 8 -5.699 -10.560 -5.558
51 HD2 PHE 8 2HD PHE 8 -1.691 -11.410 -4.412
52 HE1 PHE 8 1HE PHE 8 -6.122 -9.581 -3.341
53 HE2 PHE 8 2HE PHE 8 -2.109 -10.431 -2.197
54 HZ PHE 8 HZ PHE 8 -4.330 -9.514 -1.659
55 H ASN 9 H ASN 9 -5.537 -12.521 -7.110
56 HA ASN 9 HA ASN 9 -7.522 -11.630 -8.911
57 1HB ASN 9 2HB ASN 9 -7.525 -13.611 -6.652
58 2HB ASN 9 1HB ASN 9 -9.007 -13.217 -7.517
59 1HD2 ASN 9 1HD2 ASN 9 -7.924 -12.902 -10.081
60 2HD2 ASN 9 2HD2 ASN 9 -7.379 -14.442 -10.635
61 HA PRO 10 HA PRO 10 -9.994 -9.740 -5.342
62 1HB PRO 10 2HB PRO 10 -9.251 -10.033 -2.769
63 2HB PRO 10 1HB PRO 10 -10.184 -11.270 -3.622
64 1HG PRO 10 2HG PRO 10 -7.244 -11.166 -3.066
65 2HG PRO 10 1HG PRO 10 -8.360 -12.534 -2.923
66 1HD PRO 10 2HD PRO 10 -6.714 -12.182 -5.061
67 2HD PRO 10 1HD PRO 10 -8.289 -12.992 -5.166
68 H LEU 11 H LEU 11 -8.445 -8.182 -6.590
69 HA LEU 11 HA LEU 11 -6.311 -6.871 -5.461
70 1HB LEU 11 2HB LEU 11 -6.763 -5.026 -6.901
71 2HB LEU 11 1HB LEU 11 -7.214 -6.488 -7.754
72 HG LEU 11 HG LEU 11 -8.901 -4.931 -8.252
73 1HD1 LEU 11 1HD1 LEU 11 -9.751 -7.149 -7.619
74 2HD1 LEU 11 2HD1 LEU 11 -10.909 -5.862 -7.286
75 3HD1 LEU 11 3HD1 LEU 11 -9.980 -6.574 -5.968
76 1HD2 LEU 11 1HD2 LEU 11 -9.571 -4.329 -5.421
77 2HD2 LEU 11 2HD2 LEU 11 -9.770 -3.340 -6.868
78 3HD2 LEU 11 3HD2 LEU 11 -8.174 -3.529 -6.141
79 H CYS 12 H CYS 12 -6.331 -4.495 -4.697
80 HA CYS 12 HA CYS 12 -6.894 -4.236 -2.170
81 1HB CYS 12 2HB CYS 12 -6.898 -1.914 -2.331
82 2HB CYS 12 1HB CYS 12 -5.977 -2.471 -3.715
83 H ARG 13 H ARG 13 -8.727 -5.800 -2.224
84 HA ARG 13 HA ARG 13 -11.353 -4.492 -2.314
85 1HB ARG 13 2HB ARG 13 -10.432 -7.178 -2.683
86 2HB ARG 13 1HB ARG 13 -11.537 -7.163 -1.319
87 1HG ARG 13 2HG ARG 13 -12.116 -6.165 -4.099
88 2HG ARG 13 1HG ARG 13 -12.732 -7.643 -3.357
89 1HD ARG 13 2HD ARG 13 -13.316 -4.809 -2.511
90 2HD ARG 13 1HD ARG 13 -14.434 -5.937 -3.276
91 HE ARG 13 HE ARG 13 -13.688 -5.844 -0.499
92 1HH1 ARG 13 1HH1 ARG 13 -14.940 -7.852 -3.066
93 2HH1 ARG 13 2HH1 ARG 13 -15.746 -8.942 -1.988
94 1HH2 ARG 13 1HH2 ARG 13 -14.752 -7.274 0.918
95 2HH2 ARG 13 2HH2 ARG 13 -15.640 -8.614 0.273
96 H CYS 14 H CYS 14 -9.578 -3.485 -0.494
97 HA CYS 14 HA CYS 14 -10.851 -4.165 2.044
98 1HB CYS 14 2HB CYS 14 -8.210 -3.598 2.717
99 2HB CYS 14 1HB CYS 14 -8.973 -5.181 2.729
100 H ASN 15 H ASN 15 -11.830 -2.320 2.616
101 HA ASN 15 HA ASN 15 -10.513 0.234 2.028
102 1HB ASN 15 2HB ASN 15 -13.218 -0.625 1.940
103 2HB ASN 15 1HB ASN 15 -13.097 0.613 3.176
104 1HD2 ASN 15 1HD2 ASN 15 -11.242 2.297 2.225
105 2HD2 ASN 15 2HD2 ASN 15 -11.763 3.005 0.737
106 H LYS 16 H LYS 16 -12.211 -1.413 4.646
107 HA LYS 16 HA LYS 16 -12.318 -0.012 6.788
108 1HB LYS 16 2HB LYS 16 -11.596 -1.833 8.187
109 2HB LYS 16 1HB LYS 16 -12.423 -2.482 6.779
110 1HG LYS 16 2HG LYS 16 -9.549 -2.241 6.388
111 2HG LYS 16 1HG LYS 16 -9.980 -3.287 7.741
112 1HD LYS 16 2HD LYS 16 -11.003 -3.528 4.911
113 2HD LYS 16 1HD LYS 16 -9.795 -4.566 5.670
114 1HE LYS 16 2HE LYS 16 -12.729 -4.349 6.264
115 2HE LYS 16 1HE LYS 16 -11.800 -5.774 5.805
116 1HZ LYS 16 1HZ LYS 16 -11.644 -4.329 8.395
117 2HZ LYS 16 2HZ LYS 16 -10.656 -5.631 7.960
118 3HZ LYS 16 3HZ LYS 16 -12.324 -5.857 8.134
119 H MET 17 H MET 17 -10.718 1.688 5.746
120 HA MET 17 HA MET 17 -7.985 1.528 6.426
121 1HB MET 17 2HB MET 17 -8.294 4.161 6.369
122 2HB MET 17 1HB MET 17 -8.223 3.177 4.919
123 1HG MET 17 2HG MET 17 -10.013 4.916 4.940
124 2HG MET 17 1HG MET 17 -10.571 3.276 4.626
125 1HE MET 17 1HE MET 17 -11.350 6.443 6.464
126 2HE MET 17 2HE MET 17 -12.894 5.840 7.064
127 3HE MET 17 3HE MET 17 -12.472 5.648 5.362
128 H LEU 18 H LEU 18 -8.126 0.693 8.550
129 HA LEU 18 HA LEU 18 -7.670 2.647 10.529
130 1HB LEU 18 2HB LEU 18 -9.510 2.278 12.007
131 2HB LEU 18 1HB LEU 18 -10.146 2.726 10.435
132 HG LEU 18 HG LEU 18 -10.030 -0.086 10.443
133 1HD1 LEU 18 1HD1 LEU 18 -9.969 0.562 13.047
134 2HD1 LEU 18 2HD1 LEU 18 -10.789 -0.866 12.418
135 3HD1 LEU 18 3HD1 LEU 18 -11.710 0.597 12.768
136 1HD2 LEU 18 1HD2 LEU 18 -12.640 0.428 10.777
137 2HD2 LEU 18 2HD2 LEU 18 -11.787 0.699 9.257
138 3HD2 LEU 18 3HD2 LEU 18 -12.071 2.045 10.361
139 H GLY 19 H GLY 19 -5.917 0.893 9.911
140 1HA GLY 19 2HA GLY 19 -5.612 -0.701 12.263
141 2HA GLY 19 1HA GLY 19 -5.987 -1.694 10.866
142 H ASP 20 H ASP 20 -4.548 -1.254 8.910
143 HA ASP 20 HA ASP 20 -1.930 -1.886 9.527
144 1HB ASP 20 2HB ASP 20 -2.647 -0.466 6.982
145 2HB ASP 20 1HB ASP 20 -1.456 -1.730 7.236
146 H LEU 21 H LEU 21 -0.062 -0.543 8.464
147 HA LEU 21 HA LEU 21 -0.112 2.276 8.702
148 1HB LEU 21 2HB LEU 21 -0.258 1.733 11.085
149 2HB LEU 21 1HB LEU 21 1.171 0.727 10.953
150 HG LEU 21 HG LEU 21 2.605 2.563 10.749
151 1HD1 LEU 21 1HD1 LEU 21 1.766 3.927 9.101
152 2HD1 LEU 21 2HD1 LEU 21 1.521 4.927 10.534
153 3HD1 LEU 21 3HD1 LEU 21 0.169 4.027 9.844
154 1HD2 LEU 21 1HD2 LEU 21 1.353 4.262 12.492
155 2HD2 LEU 21 2HD2 LEU 21 2.273 2.826 12.944
156 3HD2 LEU 21 3HD2 LEU 21 0.519 2.735 12.784
157 H ILE 22 H ILE 22 0.713 1.289 6.601
158 HA ILE 22 HA ILE 22 3.390 0.255 6.586
159 HB ILE 22 HB ILE 22 1.295 0.154 4.828
160 1HG1 ILE 22 2HG1 ILE 22 4.114 -0.324 3.937
161 2HG1 ILE 22 1HG1 ILE 22 3.330 -1.345 5.136
162 1HG2 ILE 22 1HG2 ILE 22 1.812 1.260 2.819
163 2HG2 ILE 22 2HG2 ILE 22 3.356 1.828 3.456
164 3HG2 ILE 22 3HG2 ILE 22 1.846 2.468 4.102
165 1HD1 ILE 22 1HD1 ILE 22 3.093 -2.381 3.015
166 2HD1 ILE 22 2HD1 ILE 22 2.465 -0.895 2.302
167 3HD1 ILE 22 3HD1 ILE 22 1.517 -1.767 3.505
168 H CYS 23 H CYS 23 5.009 1.228 5.090
169 HA CYS 23 HA CYS 23 5.063 4.175 5.349
170 1HB CYS 23 2HB CYS 23 7.422 2.296 5.589
171 2HB CYS 23 1HB CYS 23 7.497 4.052 5.666
172 H ALA 24 H ALA 24 4.263 4.406 3.222
173 HA ALA 24 HA ALA 24 5.908 3.270 1.098
174 1HB ALA 24 1HB ALA 24 4.103 3.181 -0.218
175 2HB ALA 24 2HB ALA 24 3.489 4.736 0.341
176 3HB ALA 24 3HB ALA 24 3.239 3.287 1.316
177 H VAL 25 H VAL 25 6.906 4.369 -0.433
178 HA VAL 25 HA VAL 25 6.838 7.294 -0.409
179 HB VAL 25 HB VAL 25 8.789 6.397 0.914
180 1HG1 VAL 25 1HG1 VAL 25 9.813 5.557 -1.790
181 2HG1 VAL 25 2HG1 VAL 25 9.247 4.454 -0.536
182 3HG1 VAL 25 3HG1 VAL 25 10.673 5.451 -0.253
183 1HG2 VAL 25 1HG2 VAL 25 8.586 8.596 -0.598
184 2HG2 VAL 25 2HG2 VAL 25 9.976 7.839 -1.375
185 3HG2 VAL 25 3HG2 VAL 25 10.023 8.212 0.349
186 H ILE 26 H ILE 26 7.353 8.253 -2.365
187 HA ILE 26 HA ILE 26 7.889 6.527 -4.656
188 HB ILE 26 HB ILE 26 6.008 8.110 -5.799
189 1HG1 ILE 26 2HG1 ILE 26 5.353 8.880 -3.470
190 2HG1 ILE 26 1HG1 ILE 26 4.048 8.263 -4.473
191 1HG2 ILE 26 1HG2 ILE 26 5.250 5.470 -4.603
192 2HG2 ILE 26 2HG2 ILE 26 6.448 5.596 -5.890
193 3HG2 ILE 26 3HG2 ILE 26 4.800 6.157 -6.163
194 1HD1 ILE 26 1HD1 ILE 26 3.547 7.204 -2.544
195 2HD1 ILE 26 2HD1 ILE 26 5.217 7.178 -1.989
196 3HD1 ILE 26 3HD1 ILE 26 4.673 6.015 -3.196
197 H GLY 27 H GLY 27 9.862 7.564 -4.771
198 1HA GLY 27 2HA GLY 27 11.334 9.039 -5.728
199 2HA GLY 27 1HA GLY 27 9.948 9.873 -6.416
200 H ASP 28 H ASP 28 8.592 10.906 -4.501
201 HA ASP 28 HA ASP 28 10.244 12.106 -2.460
202 1HB ASP 28 2HB ASP 28 10.665 13.513 -4.477
203 2HB ASP 28 1HB ASP 28 8.941 13.864 -4.549
204 H ALA 29 H ALA 29 7.757 10.450 -2.798
205 HA ALA 29 HA ALA 29 6.003 12.198 -1.194
206 1HB ALA 29 1HB ALA 29 5.401 10.834 -3.675
207 2HB ALA 29 2HB ALA 29 4.474 12.057 -2.806
208 3HB ALA 29 3HB ALA 29 4.304 10.354 -2.380
209 H LYS 30 H LYS 30 7.037 11.276 0.645
210 HA LYS 30 HA LYS 30 6.547 8.433 1.105
211 1HB LYS 30 2HB LYS 30 8.750 8.932 1.688
212 2HB LYS 30 1HB LYS 30 8.324 10.492 2.374
213 1HG LYS 30 2HG LYS 30 7.156 8.187 3.761
214 2HG LYS 30 1HG LYS 30 8.918 8.274 3.813
215 1HD LYS 30 2HD LYS 30 7.665 10.853 4.296
216 2HD LYS 30 1HD LYS 30 7.154 9.631 5.460
217 1HE LYS 30 2HE LYS 30 9.045 10.062 6.559
218 2HE LYS 30 1HE LYS 30 9.884 9.238 5.245
219 1HZ LYS 30 1HZ LYS 30 9.242 12.026 4.768
220 2HZ LYS 30 2HZ LYS 30 10.653 11.163 4.415
221 3HZ LYS 30 3HZ LYS 30 10.388 11.746 5.981
222 H GLU 31 H GLU 31 4.731 7.861 2.097
223 HA GLU 31 HA GLU 31 3.816 9.273 4.446
224 1HB GLU 31 2HB GLU 31 2.768 10.448 2.458
225 2HB GLU 31 1HB GLU 31 1.898 8.954 2.137
226 1HG GLU 31 2HG GLU 31 1.637 9.837 4.893
227 2HG GLU 31 1HG GLU 31 1.049 11.025 3.731
228 H GLU 32 H GLU 32 2.228 8.076 5.651
229 HA GLU 32 HA GLU 32 2.559 5.236 5.336
230 1HB GLU 32 2HB GLU 32 0.664 6.447 7.312
231 2HB GLU 32 1HB GLU 32 1.661 5.010 7.466
232 1HG GLU 32 2HG GLU 32 3.177 6.179 8.555
233 2HG GLU 32 1HG GLU 32 3.402 7.209 7.143
234 H HIS 33 H HIS 33 0.838 3.701 5.184
235 HA HIS 33 HA HIS 33 -1.707 4.740 4.164
236 1HB HIS 33 2HB HIS 33 -0.180 2.545 2.762
237 2HB HIS 33 1HB HIS 33 -1.694 3.281 2.250
238 HD1 HIS 33 1HD HIS 33 -1.534 5.274 0.756
239 HD2 HIS 33 2HD HIS 33 2.095 4.324 2.540
240 HE1 HIS 33 1HE HIS 33 0.165 6.754 -0.355
241 HE2 HIS 33 2HE HIS 33 2.325 6.270 0.848
242 H ARG 34 H ARG 34 -3.402 3.720 5.007
243 HA ARG 34 HA ARG 34 -2.991 1.443 6.731
244 1HB ARG 34 2HB ARG 34 -5.688 2.509 5.965
245 2HB ARG 34 1HB ARG 34 -5.183 1.770 7.477
246 1HG ARG 34 2HG ARG 34 -4.450 4.519 6.492
247 2HG ARG 34 1HG ARG 34 -5.569 4.127 7.798
248 1HD ARG 34 2HD ARG 34 -2.670 3.318 7.828
249 2HD ARG 34 1HD ARG 34 -3.244 4.850 8.486
250 HE ARG 34 HE ARG 34 -4.502 2.417 9.481
251 1HH1 ARG 34 1HH1 ARG 34 -2.177 4.977 10.011
252 2HH1 ARG 34 2HH1 ARG 34 -2.103 4.719 11.720
253 1HH2 ARG 34 1HH2 ARG 34 -4.400 2.087 11.727
254 2HH2 ARG 34 2HH2 ARG 34 -3.362 3.080 12.694
255 H ASN 35 H ASN 35 -5.046 2.117 3.902
256 HA ASN 35 HA ASN 35 -5.518 -0.693 3.460
257 1HB ASN 35 2HB ASN 35 -6.228 1.714 1.764
258 2HB ASN 35 1HB ASN 35 -6.794 0.070 1.486
259 1HD2 ASN 35 1HD2 ASN 35 -7.209 -0.616 4.210
260 2HD2 ASN 35 2HD2 ASN 35 -8.575 0.275 4.770
261 H MET 36 H MET 36 -3.056 -0.867 3.448
262 HA MET 36 HA MET 36 -1.360 -0.038 1.493
263 1HB MET 36 2HB MET 36 -0.306 -1.307 3.084
264 2HB MET 36 1HB MET 36 -1.583 -2.510 3.130
265 1HG MET 36 2HG MET 36 -0.024 -2.399 0.633
266 2HG MET 36 1HG MET 36 0.850 -2.930 2.066
267 1HE MET 36 1HE MET 36 0.324 -4.746 -0.596
268 2HE MET 36 2HE MET 36 -1.224 -3.934 -0.834
269 3HE MET 36 3HE MET 36 -1.173 -5.678 -0.573
270 H CYS 37 H CYS 37 -3.942 -2.363 1.208
271 HA CYS 37 HA CYS 37 -3.093 -3.416 -1.291
272 1HB CYS 37 2HB CYS 37 -5.351 -4.379 -1.438
273 2HB CYS 37 1HB CYS 37 -4.602 -4.695 0.117
274 H ALA 38 H ALA 38 -5.371 -0.876 -0.345
275 HA ALA 38 HA ALA 38 -6.367 -0.181 -2.851
276 1HB ALA 38 1HB ALA 38 -7.445 0.994 -1.219
277 2HB ALA 38 2HB ALA 38 -6.295 2.229 -1.731
278 3HB ALA 38 3HB ALA 38 -5.970 1.265 -0.291
279 H LEU 39 H LEU 39 -3.290 0.326 -1.414
280 HA LEU 39 HA LEU 39 -2.321 2.312 -3.233
281 1HB LEU 39 2HB LEU 39 -1.577 1.337 -0.814
282 2HB LEU 39 1HB LEU 39 -0.432 0.520 -1.845
283 HG LEU 39 HG LEU 39 0.568 2.532 -2.540
284 1HD1 LEU 39 1HD1 LEU 39 -0.412 4.749 -1.676
285 2HD1 LEU 39 2HD1 LEU 39 -1.906 3.836 -1.477
286 3HD1 LEU 39 3HD1 LEU 39 -1.166 3.979 -3.072
287 1HD2 LEU 39 1HD2 LEU 39 -0.096 2.487 0.381
288 2HD2 LEU 39 2HD2 LEU 39 0.950 3.732 -0.300
289 3HD2 LEU 39 3HD2 LEU 39 1.405 2.035 -0.427
290 H CYS 40 H CYS 40 -1.878 -1.148 -2.791
291 HA CYS 40 HA CYS 40 -0.151 -1.530 -4.968
292 1HB CYS 40 2HB CYS 40 -1.885 -3.364 -3.349
293 2HB CYS 40 1HB CYS 40 -0.928 -3.960 -4.705
294 H CYS 41 H CYS 41 -3.618 -1.372 -4.710
295 HA CYS 41 HA CYS 41 -3.992 -2.440 -7.380
296 1HB CYS 41 2HB CYS 41 -6.183 -2.620 -6.846
297 2HB CYS 41 1HB CYS 41 -5.503 -2.609 -5.236
298 H GLU 42 H GLU 42 -4.043 0.638 -5.719
299 HA GLU 42 HA GLU 42 -4.635 1.983 -8.279
300 1HB GLU 42 2HB GLU 42 -6.238 2.318 -6.399
301 2HB GLU 42 1HB GLU 42 -4.957 3.138 -5.516
302 1HG GLU 42 2HG GLU 42 -5.124 5.014 -6.744
303 2HG GLU 42 1HG GLU 42 -5.474 4.138 -8.234
304 H HIS 43 H HIS 43 -1.872 1.186 -7.283
305 HA HIS 43 HA HIS 43 -0.630 3.775 -6.792
306 1HB HIS 43 2HB HIS 43 1.523 2.457 -6.883
307 2HB HIS 43 1HB HIS 43 0.406 1.988 -5.612
308 HD1 HIS 43 1HD HIS 43 -0.334 0.749 -9.033
309 HD2 HIS 43 2HD HIS 43 1.620 -0.557 -5.609
310 HE1 HIS 43 1HE HIS 43 0.041 -1.714 -9.374
311 HE2 HIS 43 2HE HIS 43 1.323 -2.461 -7.338
312 HA PRO 44 HA PRO 44 0.535 4.788 -10.905
313 1HB PRO 44 2HB PRO 44 3.350 5.215 -10.227
314 2HB PRO 44 1HB PRO 44 2.114 6.400 -10.651
315 1HG PRO 44 2HG PRO 44 3.130 6.189 -8.153
316 2HG PRO 44 1HG PRO 44 1.463 6.703 -8.468
317 1HD PRO 44 2HD PRO 44 2.492 4.024 -7.601
318 2HD PRO 44 1HD PRO 44 1.049 4.906 -7.053
319 H GLY 45 H GLY 45 3.559 3.343 -9.726
320 1HA GLY 45 2HA GLY 45 3.298 1.229 -11.755
321 2HA GLY 45 1HA GLY 45 4.764 2.201 -11.696
322 H GLY 46 H GLY 46 3.011 1.311 -8.821
323 1HA GLY 46 2HA GLY 46 3.458 -0.662 -7.494
324 2HA GLY 46 1HA GLY 46 5.071 -0.702 -8.192
325 H PHE 47 H PHE 47 2.948 1.179 -6.065
326 HA PHE 47 HA PHE 47 4.750 3.015 -5.075
327 1HB PHE 47 2HB PHE 47 2.218 1.874 -4.194
328 2HB PHE 47 1HB PHE 47 3.254 2.297 -2.837
329 HD1 PHE 47 1HD PHE 47 3.397 4.147 -5.997
330 HD2 PHE 47 2HD PHE 47 1.784 4.034 -2.067
331 HE1 PHE 47 1HE PHE 47 2.698 6.497 -6.219
332 HE2 PHE 47 2HE PHE 47 1.080 6.379 -2.278
333 HZ PHE 47 HZ PHE 47 1.537 7.614 -4.358
334 H GLU 48 H GLU 48 6.255 3.067 -3.460
335 HA GLU 48 HA GLU 48 7.350 0.438 -2.692
336 1HB GLU 48 2HB GLU 48 8.748 2.292 -3.753
337 2HB GLU 48 1HB GLU 48 8.591 3.146 -2.224
338 1HG GLU 48 2HG GLU 48 9.966 1.729 -1.122
339 2HG GLU 48 1HG GLU 48 9.548 0.353 -2.139
340 H TYR 49 H TYR 49 6.162 -0.210 -0.932
341 HA TYR 49 HA TYR 49 6.205 1.599 1.378
342 1HB TYR 49 2HB TYR 49 4.294 0.212 2.223
343 2HB TYR 49 1HB TYR 49 3.947 1.193 0.809
344 HD1 TYR 49 1HD TYR 49 3.216 0.195 -1.196
345 HD2 TYR 49 2HD TYR 49 4.808 -2.218 1.916
346 HE1 TYR 49 1HE TYR 49 2.523 -1.817 -2.407
347 HE2 TYR 49 2HE TYR 49 4.111 -4.239 0.725
348 HH TYR 49 HH TYR 49 3.604 -4.573 -2.168
349 H SER 50 H SER 50 6.360 0.655 3.432
350 HA SER 50 HA SER 50 7.606 -1.989 3.552
351 1HB SER 50 2HB SER 50 9.418 -1.240 4.949
352 2HB SER 50 1HB SER 50 9.431 -0.271 3.477
353 HG SER 50 HG SER 50 9.410 0.632 5.900
354 H ASN 51 H ASN 51 6.016 -2.939 4.621
355 HA ASN 51 HA ASN 51 4.274 -1.806 6.416
356 1HB ASN 51 2HB ASN 51 5.187 -4.667 6.578
357 2HB ASN 51 1HB ASN 51 3.649 -3.986 7.104
358 1HD2 ASN 51 1HD2 ASN 51 2.107 -3.423 5.563
359 2HD2 ASN 51 2HD2 ASN 51 2.176 -4.010 3.940
360 H GLY 52 H GLY 52 4.297 -1.184 8.380
361 1HA GLY 52 2HA GLY 52 5.148 -1.966 10.692
362 2HA GLY 52 1HA GLY 52 6.726 -1.650 9.989
363 HA PRO 53 HA PRO 53 4.598 2.289 11.749
364 1HB PRO 53 2HB PRO 53 5.501 2.304 14.306
365 2HB PRO 53 1HB PRO 53 3.969 1.556 13.842
366 1HG PRO 53 2HG PRO 53 6.628 0.275 14.338
367 2HG PRO 53 1HG PRO 53 5.015 -0.259 14.847
368 1HD PRO 53 2HD PRO 53 6.307 -1.316 12.706
369 2HD PRO 53 1HD PRO 53 4.538 -1.191 12.797
370 H CYS 54 H CYS 54 6.394 2.655 10.135
371 HA CYS 54 HA CYS 54 8.820 3.649 11.472
372 1HB CYS 54 2HB CYS 54 9.621 3.579 8.925
373 2HB CYS 54 1HB CYS 54 9.759 2.196 9.999
374 H GLU 55 H GLU 55 6.032 4.571 9.788
375 HA GLU 55 HA GLU 55 7.101 7.289 9.494
376 1HB GLU 55 2HB GLU 55 6.718 5.785 7.324
377 2HB GLU 55 1HB GLU 55 5.071 6.356 7.529
378 1HG GLU 55 2HG GLU 55 7.488 8.136 7.326
379 2HG GLU 55 1HG GLU 55 6.417 7.732 5.984
Start of MODEL 2
1 1H ALA 1 1H ALA 1 11.330 -2.421 -6.293
2 2H ALA 1 2H ALA 1 11.517 -3.834 -7.251
3 3H ALA 1 3H ALA 1 11.900 -3.871 -5.579
4 HA ALA 1 HA ALA 1 9.219 -3.178 -6.510
5 1HB ALA 1 1HB ALA 1 9.741 -5.973 -5.710
6 2HB ALA 1 2HB ALA 1 10.297 -5.494 -7.314
7 3HB ALA 1 3HB ALA 1 8.596 -5.318 -6.881
8 H HIS 2 H HIS 2 9.002 -1.885 -4.676
9 HA HIS 2 HA HIS 2 9.114 -3.326 -2.112
10 1HB HIS 2 2HB HIS 2 9.690 -0.472 -2.818
11 2HB HIS 2 1HB HIS 2 9.151 -0.876 -1.194
12 HD1 HIS 2 1HD HIS 2 11.833 -2.172 -3.573
13 HD2 HIS 2 2HD HIS 2 11.250 -1.284 0.444
14 HE1 HIS 2 1HE HIS 2 14.041 -2.621 -2.457
15 HE2 HIS 2 2HE HIS 2 13.691 -1.980 -0.047
16 H MET 3 H MET 3 6.985 -3.834 -3.466
17 HA MET 3 HA MET 3 4.845 -2.461 -2.038
18 1HB MET 3 2HB MET 3 4.758 -1.284 -4.077
19 2HB MET 3 1HB MET 3 5.083 -2.723 -5.025
20 1HG MET 3 2HG MET 3 2.662 -3.151 -3.614
21 2HG MET 3 1HG MET 3 2.591 -1.553 -4.344
22 1HE MET 3 1HE MET 3 4.123 -4.912 -6.939
23 2HE MET 3 2HE MET 3 3.134 -5.581 -5.640
24 3HE MET 3 3HE MET 3 4.534 -4.579 -5.258
25 H ASP 4 H ASP 4 3.000 -3.730 -1.660
26 HA ASP 4 HA ASP 4 3.076 -6.517 -2.584
27 1HB ASP 4 2HB ASP 4 4.016 -6.195 -0.195
28 2HB ASP 4 1HB ASP 4 2.353 -5.867 0.270
29 H CYS 5 H CYS 5 1.273 -6.691 -3.757
30 HA CYS 5 HA CYS 5 -1.135 -5.261 -2.957
31 1HB CYS 5 2HB CYS 5 -0.194 -5.434 -5.373
32 2HB CYS 5 1HB CYS 5 -0.902 -7.045 -5.370
33 H THR 6 H THR 6 -3.261 -6.595 -3.339
34 HA THR 6 HA THR 6 -3.335 -8.586 -1.377
35 HB THR 6 HB THR 6 -5.352 -7.417 -1.798
36 HG1 THR 6 1HG THR 6 -5.601 -9.713 -1.478
37 1HG2 THR 6 1HG2 THR 6 -6.067 -6.701 -3.765
38 2HG2 THR 6 2HG2 THR 6 -6.072 -8.334 -4.430
39 3HG2 THR 6 3HG2 THR 6 -4.597 -7.371 -4.468
40 H GLU 7 H GLU 7 -5.094 -9.997 -3.993
41 HA GLU 7 HA GLU 7 -3.100 -11.322 -5.388
42 1HB GLU 7 2HB GLU 7 -2.563 -13.212 -4.236
43 2HB GLU 7 1HB GLU 7 -2.827 -12.131 -2.880
44 1HG GLU 7 2HG GLU 7 -5.284 -13.072 -3.052
45 2HG GLU 7 1HG GLU 7 -4.456 -14.423 -3.826
46 H PHE 8 H PHE 8 -5.892 -10.256 -5.533
47 HA PHE 8 HA PHE 8 -7.010 -12.628 -6.879
48 1HB PHE 8 2HB PHE 8 -9.319 -11.587 -6.137
49 2HB PHE 8 1HB PHE 8 -8.441 -12.696 -5.094
50 HD1 PHE 8 1HD PHE 8 -8.554 -12.136 -2.890
51 HD2 PHE 8 2HD PHE 8 -8.321 -9.017 -5.777
52 HE1 PHE 8 1HE PHE 8 -8.604 -10.467 -1.084
53 HE2 PHE 8 2HE PHE 8 -8.365 -7.343 -3.972
54 HZ PHE 8 HZ PHE 8 -8.508 -8.067 -1.624
55 H ASN 9 H ASN 9 -9.144 -11.769 -8.126
56 HA ASN 9 HA ASN 9 -8.103 -10.062 -10.144
57 1HB ASN 9 2HB ASN 9 -11.039 -10.510 -10.034
58 2HB ASN 9 1HB ASN 9 -9.932 -10.636 -11.391
59 1HD2 ASN 9 1HD2 ASN 9 -8.090 -12.424 -10.260
60 2HD2 ASN 9 2HD2 ASN 9 -8.863 -13.961 -10.096
61 HA PRO 10 HA PRO 10 -11.233 -6.801 -8.445
62 1HB PRO 10 2HB PRO 10 -12.317 -7.283 -5.992
63 2HB PRO 10 1HB PRO 10 -13.103 -7.770 -7.498
64 1HG PRO 10 2HG PRO 10 -11.452 -9.401 -5.607
65 2HG PRO 10 1HG PRO 10 -12.969 -9.828 -6.423
66 1HD PRO 10 2HD PRO 10 -10.570 -10.687 -7.306
67 2HD PRO 10 1HD PRO 10 -11.908 -10.321 -8.410
68 H LEU 11 H LEU 11 -9.072 -5.964 -8.289
69 HA LEU 11 HA LEU 11 -7.268 -6.214 -6.250
70 1HB LEU 11 2HB LEU 11 -6.485 -3.927 -6.859
71 2HB LEU 11 1HB LEU 11 -6.601 -5.079 -8.168
72 HG LEU 11 HG LEU 11 -7.420 -2.589 -8.455
73 1HD1 LEU 11 1HD1 LEU 11 -9.367 -4.461 -9.617
74 2HD1 LEU 11 2HD1 LEU 11 -7.669 -4.849 -9.893
75 3HD1 LEU 11 3HD1 LEU 11 -8.309 -3.284 -10.396
76 1HD2 LEU 11 1HD2 LEU 11 -9.002 -2.645 -6.583
77 2HD2 LEU 11 2HD2 LEU 11 -9.899 -3.934 -7.386
78 3HD2 LEU 11 3HD2 LEU 11 -9.811 -2.332 -8.119
79 H CYS 12 H CYS 12 -6.678 -3.858 -5.129
80 HA CYS 12 HA CYS 12 -7.321 -3.756 -2.683
81 1HB CYS 12 2HB CYS 12 -7.229 -1.405 -2.536
82 2HB CYS 12 1HB CYS 12 -6.222 -1.882 -3.891
83 H ARG 13 H ARG 13 -9.398 -5.089 -3.033
84 HA ARG 13 HA ARG 13 -11.758 -3.365 -2.755
85 1HB ARG 13 2HB ARG 13 -11.407 -6.307 -3.291
86 2HB ARG 13 1HB ARG 13 -12.948 -5.664 -2.739
87 1HG ARG 13 2HG ARG 13 -12.259 -3.990 -4.821
88 2HG ARG 13 1HG ARG 13 -11.734 -5.581 -5.372
89 1HD ARG 13 2HD ARG 13 -13.889 -5.694 -6.069
90 2HD ARG 13 1HD ARG 13 -14.137 -6.241 -4.411
91 HE ARG 13 HE ARG 13 -15.409 -4.386 -4.088
92 1HH1 ARG 13 1HH1 ARG 13 -13.165 -3.710 -6.674
93 2HH1 ARG 13 2HH1 ARG 13 -13.778 -2.116 -6.958
94 1HH2 ARG 13 1HH2 ARG 13 -16.217 -2.289 -4.460
95 2HH2 ARG 13 2HH2 ARG 13 -15.510 -1.308 -5.699
96 H CYS 14 H CYS 14 -9.914 -3.198 -0.748
97 HA CYS 14 HA CYS 14 -11.290 -4.518 1.471
98 1HB CYS 14 2HB CYS 14 -9.344 -5.190 2.472
99 2HB CYS 14 1HB CYS 14 -8.868 -5.315 0.788
100 H ASN 15 H ASN 15 -12.356 -3.044 2.515
101 HA ASN 15 HA ASN 15 -11.503 -0.275 2.601
102 1HB ASN 15 2HB ASN 15 -13.969 -1.681 2.912
103 2HB ASN 15 1HB ASN 15 -13.677 -0.762 4.380
104 1HD2 ASN 15 1HD2 ASN 15 -12.253 1.380 3.199
105 2HD2 ASN 15 2HD2 ASN 15 -13.375 2.305 2.266
106 H LYS 16 H LYS 16 -11.887 -2.999 4.722
107 HA LYS 16 HA LYS 16 -11.660 -2.474 7.211
108 1HB LYS 16 2HB LYS 16 -11.109 -4.671 6.274
109 2HB LYS 16 1HB LYS 16 -9.507 -4.087 5.842
110 1HG LYS 16 2HG LYS 16 -8.747 -4.646 7.839
111 2HG LYS 16 1HG LYS 16 -9.921 -3.574 8.604
112 1HD LYS 16 2HD LYS 16 -10.150 -5.853 9.440
113 2HD LYS 16 1HD LYS 16 -11.590 -5.365 8.546
114 1HE LYS 16 2HE LYS 16 -11.334 -7.025 7.084
115 2HE LYS 16 1HE LYS 16 -9.649 -6.591 6.795
116 1HZ LYS 16 1HZ LYS 16 -8.918 -7.997 8.467
117 2HZ LYS 16 2HZ LYS 16 -10.175 -8.887 7.768
118 3HZ LYS 16 3HZ LYS 16 -10.428 -8.070 9.227
119 H MET 17 H MET 17 -11.025 -0.073 6.660
120 HA MET 17 HA MET 17 -8.251 0.596 6.735
121 1HB MET 17 2HB MET 17 -10.370 1.970 6.042
122 2HB MET 17 1HB MET 17 -10.345 2.447 7.732
123 1HG MET 17 2HG MET 17 -8.037 3.247 7.444
124 2HG MET 17 1HG MET 17 -8.131 2.840 5.732
125 1HE MET 17 1HE MET 17 -10.702 6.059 7.789
126 2HE MET 17 2HE MET 17 -9.782 4.795 8.606
127 3HE MET 17 3HE MET 17 -11.253 4.385 7.721
128 H LEU 18 H LEU 18 -8.339 -1.142 8.596
129 HA LEU 18 HA LEU 18 -7.522 0.232 10.954
130 1HB LEU 18 2HB LEU 18 -9.107 -1.232 12.388
131 2HB LEU 18 1HB LEU 18 -9.713 0.253 11.681
132 HG LEU 18 HG LEU 18 -10.467 -1.369 9.735
133 1HD1 LEU 18 1HD1 LEU 18 -9.516 -3.395 10.526
134 2HD1 LEU 18 2HD1 LEU 18 -11.259 -3.520 10.756
135 3HD1 LEU 18 3HD1 LEU 18 -10.211 -3.171 12.130
136 1HD2 LEU 18 1HD2 LEU 18 -11.842 -0.980 12.384
137 2HD2 LEU 18 2HD2 LEU 18 -12.632 -1.677 10.969
138 3HD2 LEU 18 3HD2 LEU 18 -12.029 -0.022 10.915
139 H GLY 19 H GLY 19 -5.848 -1.091 9.569
140 1HA GLY 19 2HA GLY 19 -5.434 -3.597 11.051
141 2HA GLY 19 1HA GLY 19 -5.311 -3.608 9.298
142 H ASP 20 H ASP 20 -3.297 -3.539 8.578
143 HA ASP 20 HA ASP 20 -1.126 -2.805 10.285
144 1HB ASP 20 2HB ASP 20 -0.810 -3.193 7.335
145 2HB ASP 20 1HB ASP 20 0.271 -3.648 8.638
146 H LEU 21 H LEU 21 0.644 -1.387 9.311
147 HA LEU 21 HA LEU 21 -0.481 1.011 8.072
148 1HB LEU 21 2HB LEU 21 0.487 2.409 9.650
149 2HB LEU 21 1HB LEU 21 -0.165 1.093 10.602
150 HG LEU 21 HG LEU 21 2.735 1.507 9.885
151 1HD1 LEU 21 1HD1 LEU 21 1.375 1.581 12.565
152 2HD1 LEU 21 2HD1 LEU 21 1.786 3.010 11.616
153 3HD1 LEU 21 3HD1 LEU 21 3.063 1.947 12.207
154 1HD2 LEU 21 1HD2 LEU 21 1.261 -0.781 11.101
155 2HD2 LEU 21 2HD2 LEU 21 2.886 -0.405 11.674
156 3HD2 LEU 21 3HD2 LEU 21 2.617 -0.790 9.975
157 H ILE 22 H ILE 22 0.425 0.817 6.098
158 HA ILE 22 HA ILE 22 3.244 0.130 5.867
159 HB ILE 22 HB ILE 22 1.991 -1.045 4.299
160 1HG1 ILE 22 2HG1 ILE 22 3.942 0.584 3.433
161 2HG1 ILE 22 1HG1 ILE 22 3.095 -0.537 2.372
162 1HG2 ILE 22 1HG2 ILE 22 -0.116 -0.032 4.383
163 2HG2 ILE 22 2HG2 ILE 22 0.415 0.144 2.710
164 3HG2 ILE 22 3HG2 ILE 22 0.515 1.514 3.816
165 1HD1 ILE 22 1HD1 ILE 22 2.294 2.340 2.742
166 2HD1 ILE 22 2HD1 ILE 22 1.700 1.203 1.532
167 3HD1 ILE 22 3HD1 ILE 22 3.369 1.770 1.465
168 H CYS 23 H CYS 23 4.811 1.447 5.077
169 HA CYS 23 HA CYS 23 4.084 4.296 4.830
170 1HB CYS 23 2HB CYS 23 5.726 3.498 6.652
171 2HB CYS 23 1HB CYS 23 6.868 3.261 5.335
172 H ALA 24 H ALA 24 3.530 4.137 2.621
173 HA ALA 24 HA ALA 24 5.421 3.130 0.722
174 1HB ALA 24 1HB ALA 24 3.293 4.783 -0.362
175 2HB ALA 24 2HB ALA 24 2.722 3.496 0.697
176 3HB ALA 24 3HB ALA 24 3.717 3.106 -0.703
177 H VAL 25 H VAL 25 6.223 4.348 -1.064
178 HA VAL 25 HA VAL 25 6.528 7.220 -0.711
179 HB VAL 25 HB VAL 25 8.981 5.490 -1.010
180 1HG1 VAL 25 1HG1 VAL 25 9.332 7.662 -1.896
181 2HG1 VAL 25 2HG1 VAL 25 10.099 7.633 -0.307
182 3HG1 VAL 25 3HG1 VAL 25 8.537 8.426 -0.519
183 1HG2 VAL 25 1HG2 VAL 25 8.285 4.965 1.158
184 2HG2 VAL 25 2HG2 VAL 25 7.689 6.597 1.461
185 3HG2 VAL 25 3HG2 VAL 25 9.424 6.291 1.389
186 H ILE 26 H ILE 26 7.050 8.310 -2.570
187 HA ILE 26 HA ILE 26 7.445 6.752 -5.020
188 HB ILE 26 HB ILE 26 5.767 8.846 -5.796
189 1HG1 ILE 26 2HG1 ILE 26 5.094 8.908 -3.345
190 2HG1 ILE 26 1HG1 ILE 26 3.782 8.684 -4.497
191 1HG2 ILE 26 1HG2 ILE 26 5.573 5.883 -5.647
192 2HG2 ILE 26 2HG2 ILE 26 5.643 6.943 -7.054
193 3HG2 ILE 26 3HG2 ILE 26 4.153 6.814 -6.122
194 1HD1 ILE 26 1HD1 ILE 26 3.169 6.831 -3.467
195 2HD1 ILE 26 2HD1 ILE 26 4.438 7.101 -2.272
196 3HD1 ILE 26 3HD1 ILE 26 4.771 6.132 -3.706
197 H GLY 27 H GLY 27 9.553 7.552 -4.995
198 1HA GLY 27 2HA GLY 27 11.212 8.930 -5.787
199 2HA GLY 27 1HA GLY 27 9.947 9.970 -6.423
200 H ASP 28 H ASP 28 8.659 10.984 -4.453
201 HA ASP 28 HA ASP 28 10.386 11.826 -2.291
202 1HB ASP 28 2HB ASP 28 9.304 13.840 -4.277
203 2HB ASP 28 1HB ASP 28 10.157 14.224 -2.784
204 H ALA 29 H ALA 29 7.760 10.450 -2.804
205 HA ALA 29 HA ALA 29 6.122 12.191 -1.073
206 1HB ALA 29 1HB ALA 29 4.250 10.670 -2.321
207 2HB ALA 29 2HB ALA 29 5.434 10.883 -3.612
208 3HB ALA 29 3HB ALA 29 4.720 12.292 -2.828
209 H LYS 30 H LYS 30 7.200 11.000 0.650
210 HA LYS 30 HA LYS 30 6.420 8.203 0.913
211 1HB LYS 30 2HB LYS 30 7.855 8.390 3.038
212 2HB LYS 30 1HB LYS 30 8.671 8.462 1.483
213 1HG LYS 30 2HG LYS 30 7.836 11.028 2.705
214 2HG LYS 30 1HG LYS 30 9.188 10.168 3.442
215 1HD LYS 30 2HD LYS 30 9.128 10.568 0.481
216 2HD LYS 30 1HD LYS 30 9.614 11.900 1.532
217 1HE LYS 30 2HE LYS 30 11.532 10.855 2.201
218 2HE LYS 30 1HE LYS 30 10.852 9.241 1.996
219 1HZ LYS 30 1HZ LYS 30 11.230 10.835 -0.417
220 2HZ LYS 30 2HZ LYS 30 11.428 9.173 -0.176
221 3HZ LYS 30 3HZ LYS 30 12.628 10.250 0.337
222 H GLU 31 H GLU 31 4.533 7.768 1.812
223 HA GLU 31 HA GLU 31 3.746 9.188 4.244
224 1HB GLU 31 2HB GLU 31 2.495 9.561 1.705
225 2HB GLU 31 1HB GLU 31 1.369 8.703 2.748
226 1HG GLU 31 2HG GLU 31 2.756 11.273 3.473
227 2HG GLU 31 1HG GLU 31 1.121 11.156 2.827
228 H GLU 32 H GLU 32 1.862 8.042 5.325
229 HA GLU 32 HA GLU 32 2.276 5.150 5.043
230 1HB GLU 32 2HB GLU 32 1.783 6.938 7.343
231 2HB GLU 32 1HB GLU 32 0.978 5.376 7.403
232 1HG GLU 32 2HG GLU 32 3.414 4.544 6.735
233 2HG GLU 32 1HG GLU 32 3.856 6.039 7.557
234 H HIS 33 H HIS 33 0.479 3.712 5.229
235 HA HIS 33 HA HIS 33 -2.195 4.816 5.068
236 1HB HIS 33 2HB HIS 33 -1.706 2.921 2.863
237 2HB HIS 33 1HB HIS 33 -2.702 4.368 2.904
238 HD1 HIS 33 1HD HIS 33 1.073 3.876 3.140
239 HD2 HIS 33 2HD HIS 33 -1.770 5.987 0.978
240 HE1 HIS 33 1HE HIS 33 2.370 5.300 1.529
241 HE2 HIS 33 2HE HIS 33 0.636 6.657 0.313
242 H ARG 34 H ARG 34 -3.738 3.415 5.754
243 HA ARG 34 HA ARG 34 -2.802 0.923 6.902
244 1HB ARG 34 2HB ARG 34 -5.516 2.250 6.974
245 2HB ARG 34 1HB ARG 34 -5.093 0.781 7.843
246 1HG ARG 34 2HG ARG 34 -3.196 2.270 8.846
247 2HG ARG 34 1HG ARG 34 -4.254 3.592 8.353
248 1HD ARG 34 2HD ARG 34 -5.102 3.246 10.430
249 2HD ARG 34 1HD ARG 34 -6.065 2.059 9.555
250 HE ARG 34 HE ARG 34 -4.803 0.345 10.509
251 1HH1 ARG 34 1HH1 ARG 34 -3.625 3.480 11.509
252 2HH1 ARG 34 2HH1 ARG 34 -2.686 2.843 12.815
253 1HH2 ARG 34 1HH2 ARG 34 -3.567 -0.486 12.221
254 2HH2 ARG 34 2HH2 ARG 34 -2.649 0.594 13.219
255 H ASN 35 H ASN 35 -4.836 2.052 4.291
256 HA ASN 35 HA ASN 35 -5.740 -0.618 3.628
257 1HB ASN 35 2HB ASN 35 -6.207 2.099 2.406
258 2HB ASN 35 1HB ASN 35 -6.742 0.620 1.613
259 1HD2 ASN 35 1HD2 ASN 35 -7.649 -0.896 3.649
260 2HD2 ASN 35 2HD2 ASN 35 -8.984 -0.128 4.429
261 H MET 36 H MET 36 -3.225 -0.996 3.560
262 HA MET 36 HA MET 36 -1.570 -0.234 1.525
263 1HB MET 36 2HB MET 36 -0.858 -1.692 3.339
264 2HB MET 36 1HB MET 36 -1.876 -2.990 2.730
265 1HG MET 36 2HG MET 36 -0.464 -2.769 0.577
266 2HG MET 36 1HG MET 36 0.677 -1.913 1.614
267 1HE MET 36 1HE MET 36 -1.370 -4.966 0.957
268 2HE MET 36 2HE MET 36 -1.527 -5.290 2.684
269 3HE MET 36 3HE MET 36 -0.493 -6.313 1.685
270 H CYS 37 H CYS 37 -4.353 -2.339 1.340
271 HA CYS 37 HA CYS 37 -3.736 -3.465 -1.188
272 1HB CYS 37 2HB CYS 37 -5.959 -4.302 -1.236
273 2HB CYS 37 1HB CYS 37 -5.457 -4.356 0.448
274 H ALA 38 H ALA 38 -5.653 -0.671 -0.185
275 HA ALA 38 HA ALA 38 -6.464 0.160 -2.750
276 1HB ALA 38 1HB ALA 38 -7.437 0.972 -0.610
277 2HB ALA 38 2HB ALA 38 -7.025 2.260 -1.741
278 3HB ALA 38 3HB ALA 38 -5.976 1.927 -0.362
279 H LEU 39 H LEU 39 -3.428 0.262 -1.204
280 HA LEU 39 HA LEU 39 -2.404 2.441 -2.799
281 1HB LEU 39 2HB LEU 39 -1.624 1.023 -0.459
282 2HB LEU 39 1HB LEU 39 -0.325 0.869 -1.614
283 HG LEU 39 HG LEU 39 -1.218 3.217 -0.085
284 1HD1 LEU 39 1HD1 LEU 39 1.358 3.588 -0.964
285 2HD1 LEU 39 2HD1 LEU 39 1.222 1.835 -0.837
286 3HD1 LEU 39 3HD1 LEU 39 0.875 2.852 0.562
287 1HD2 LEU 39 1HD2 LEU 39 -0.059 4.638 -1.981
288 2HD2 LEU 39 2HD2 LEU 39 -1.795 4.328 -2.000
289 3HD2 LEU 39 3HD2 LEU 39 -0.717 3.370 -3.015
290 H CYS 40 H CYS 40 -2.077 -1.052 -2.618
291 HA CYS 40 HA CYS 40 -0.221 -1.333 -4.709
292 1HB CYS 40 2HB CYS 40 -0.566 -3.632 -4.531
293 2HB CYS 40 1HB CYS 40 -0.981 -3.052 -2.923
294 H CYS 41 H CYS 41 -3.718 -1.076 -4.637
295 HA CYS 41 HA CYS 41 -3.978 -1.762 -7.432
296 1HB CYS 41 2HB CYS 41 -6.201 -1.853 -7.051
297 2HB CYS 41 1HB CYS 41 -5.662 -1.998 -5.394
298 H GLU 42 H GLU 42 -3.982 1.125 -5.448
299 HA GLU 42 HA GLU 42 -4.461 2.804 -7.801
300 1HB GLU 42 2HB GLU 42 -5.564 2.958 -5.371
301 2HB GLU 42 1HB GLU 42 -4.184 4.016 -5.111
302 1HG GLU 42 2HG GLU 42 -5.508 5.615 -5.917
303 2HG GLU 42 1HG GLU 42 -5.127 4.926 -7.494
304 H HIS 43 H HIS 43 -1.764 1.494 -6.881
305 HA HIS 43 HA HIS 43 -0.119 3.817 -6.415
306 1HB HIS 43 2HB HIS 43 1.788 2.241 -6.636
307 2HB HIS 43 1HB HIS 43 0.607 1.728 -5.440
308 HD1 HIS 43 1HD HIS 43 -0.133 1.080 -9.046
309 HD2 HIS 43 2HD HIS 43 1.428 -0.932 -5.767
310 HE1 HIS 43 1HE HIS 43 -0.045 -1.334 -9.724
311 HE2 HIS 43 2HE HIS 43 0.778 -2.548 -7.680
312 HA PRO 44 HA PRO 44 0.901 5.014 -10.518
313 1HB PRO 44 2HB PRO 44 3.783 4.894 -9.898
314 2HB PRO 44 1HB PRO 44 2.790 6.282 -10.350
315 1HG PRO 44 2HG PRO 44 3.711 5.973 -7.852
316 2HG PRO 44 1HG PRO 44 2.116 6.678 -8.176
317 1HD PRO 44 2HD PRO 44 2.818 3.909 -7.275
318 2HD PRO 44 1HD PRO 44 1.485 4.960 -6.753
319 H GLY 45 H GLY 45 2.821 2.375 -9.178
320 1HA GLY 45 2HA GLY 45 2.335 0.500 -11.104
321 2HA GLY 45 1HA GLY 45 3.703 1.408 -11.733
322 H GLY 46 H GLY 46 2.907 0.463 -8.400
323 1HA GLY 46 2HA GLY 46 3.964 -1.056 -6.998
324 2HA GLY 46 1HA GLY 46 4.988 -1.539 -8.341
325 H PHE 47 H PHE 47 4.443 1.515 -6.595
326 HA PHE 47 HA PHE 47 7.114 2.373 -6.781
327 1HB PHE 47 2HB PHE 47 6.385 3.922 -4.848
328 2HB PHE 47 1HB PHE 47 5.532 4.056 -6.378
329 HD1 PHE 47 1HD PHE 47 3.605 5.090 -5.376
330 HD2 PHE 47 2HD PHE 47 4.908 1.243 -4.104
331 HE1 PHE 47 1HE PHE 47 1.458 4.741 -4.233
332 HE2 PHE 47 2HE PHE 47 2.767 0.891 -2.961
333 HZ PHE 47 HZ PHE 47 1.039 2.636 -3.026
334 H GLU 48 H GLU 48 6.611 2.792 -3.518
335 HA GLU 48 HA GLU 48 7.798 0.216 -2.773
336 1HB GLU 48 2HB GLU 48 9.541 1.426 -1.413
337 2HB GLU 48 1HB GLU 48 9.758 1.526 -3.155
338 1HG GLU 48 2HG GLU 48 8.177 3.719 -2.096
339 2HG GLU 48 1HG GLU 48 9.785 3.627 -1.382
340 H TYR 49 H TYR 49 8.117 0.181 -0.292
341 HA TYR 49 HA TYR 49 6.371 1.817 1.301
342 1HB TYR 49 2HB TYR 49 4.920 0.021 2.044
343 2HB TYR 49 1HB TYR 49 4.681 0.399 0.353
344 HD1 TYR 49 1HD TYR 49 7.664 -1.444 0.623
345 HD2 TYR 49 2HD TYR 49 3.439 -1.882 0.765
346 HE1 TYR 49 1HE TYR 49 7.902 -3.823 0.115
347 HE2 TYR 49 2HE TYR 49 3.663 -4.262 0.252
348 HH TYR 49 HH TYR 49 6.165 -5.638 -1.064
349 H SER 50 H SER 50 6.201 1.046 3.494
350 HA SER 50 HA SER 50 8.399 -0.651 4.375
351 1HB SER 50 2HB SER 50 8.095 1.877 5.877
352 2HB SER 50 1HB SER 50 9.539 0.923 5.547
353 HG SER 50 HG SER 50 8.317 2.908 4.000
354 H ASN 51 H ASN 51 6.533 -1.944 4.748
355 HA ASN 51 HA ASN 51 4.364 -1.318 6.307
356 1HB ASN 51 2HB ASN 51 5.721 -4.007 6.344
357 2HB ASN 51 1HB ASN 51 4.032 -3.645 6.696
358 1HD2 ASN 51 1HD2 ASN 51 2.627 -3.179 5.011
359 2HD2 ASN 51 2HD2 ASN 51 3.013 -3.533 3.365
360 H GLY 52 H GLY 52 3.975 -0.963 8.313
361 1HA GLY 52 2HA GLY 52 4.340 -1.520 10.673
362 2HA GLY 52 1HA GLY 52 6.058 -1.591 10.316
363 HA PRO 53 HA PRO 53 5.033 2.544 12.292
364 1HB PRO 53 2HB PRO 53 7.503 2.605 13.563
365 2HB PRO 53 1HB PRO 53 5.992 2.055 14.295
366 1HG PRO 53 2HG PRO 53 8.202 0.459 13.076
367 2HG PRO 53 1HG PRO 53 7.227 0.113 14.517
368 1HD PRO 53 2HD PRO 53 6.765 -1.133 12.191
369 2HD PRO 53 1HD PRO 53 5.431 -0.664 13.265
370 H CYS 54 H CYS 54 5.574 4.421 11.358
371 HA CYS 54 HA CYS 54 8.165 4.950 10.277
372 1HB CYS 54 2HB CYS 54 7.329 3.575 8.451
373 2HB CYS 54 1HB CYS 54 5.863 4.544 8.355
374 H GLU 55 H GLU 55 4.916 6.027 9.289
375 HA GLU 55 HA GLU 55 5.586 8.768 9.428
376 1HB GLU 55 2HB GLU 55 3.778 7.955 8.004
377 2HB GLU 55 1HB GLU 55 2.873 7.426 9.416
378 1HG GLU 55 2HG GLU 55 3.638 10.259 9.423
379 2HG GLU 55 1HG GLU 55 2.516 9.787 8.147
Start of MODEL 3
1 1H ALA 1 1H ALA 1 10.890 -0.877 0.206
2 2H ALA 1 2H ALA 1 9.240 -1.347 0.255
3 3H ALA 1 3H ALA 1 9.683 0.163 -0.427
4 HA ALA 1 HA ALA 1 10.809 -0.885 -2.189
5 1HB ALA 1 1HB ALA 1 10.307 -3.501 -2.245
6 2HB ALA 1 2HB ALA 1 10.387 -3.277 -0.496
7 3HB ALA 1 3HB ALA 1 11.761 -2.828 -1.507
8 H HIS 2 H HIS 2 9.556 -0.520 -3.881
9 HA HIS 2 HA HIS 2 6.722 -0.561 -3.708
10 1HB HIS 2 2HB HIS 2 6.909 -0.136 -6.243
11 2HB HIS 2 1HB HIS 2 7.574 1.077 -5.155
12 HD1 HIS 2 1HD HIS 2 9.037 1.786 -7.271
13 HD2 HIS 2 2HD HIS 2 9.894 -1.934 -5.638
14 HE1 HIS 2 1HE HIS 2 11.286 1.148 -8.198
15 HE2 HIS 2 2HE HIS 2 11.755 -1.138 -7.249
16 H MET 3 H MET 3 6.599 -2.866 -3.030
17 HA MET 3 HA MET 3 5.651 -4.436 -5.202
18 1HB MET 3 2HB MET 3 8.097 -4.720 -5.521
19 2HB MET 3 1HB MET 3 8.192 -5.450 -3.924
20 1HG MET 3 2HG MET 3 8.112 -7.289 -5.298
21 2HG MET 3 1HG MET 3 6.422 -7.098 -4.837
22 1HE MET 3 1HE MET 3 9.043 -7.285 -7.184
23 2HE MET 3 2HE MET 3 8.545 -6.584 -8.723
24 3HE MET 3 3HE MET 3 8.030 -8.214 -8.289
25 H ASP 4 H ASP 4 3.825 -5.006 -4.139
26 HA ASP 4 HA ASP 4 3.813 -7.161 -2.388
27 1HB ASP 4 2HB ASP 4 4.699 -5.266 -0.848
28 2HB ASP 4 1HB ASP 4 3.026 -4.719 -0.828
29 H CYS 5 H CYS 5 2.387 -6.051 -4.689
30 HA CYS 5 HA CYS 5 -0.319 -5.569 -3.736
31 1HB CYS 5 2HB CYS 5 0.866 -4.512 -5.825
32 2HB CYS 5 1HB CYS 5 0.393 -6.009 -6.619
33 H THR 6 H THR 6 -2.089 -6.889 -5.085
34 HA THR 6 HA THR 6 -1.874 -9.551 -4.203
35 HB THR 6 HB THR 6 -4.062 -8.607 -4.473
36 HG1 THR 6 1HG THR 6 -4.394 -10.656 -4.939
37 1HG2 THR 6 1HG2 THR 6 -4.348 -8.517 -7.325
38 2HG2 THR 6 2HG2 THR 6 -3.084 -7.410 -6.790
39 3HG2 THR 6 3HG2 THR 6 -4.710 -7.284 -6.118
40 H GLU 7 H GLU 7 -3.045 -10.111 -7.362
41 HA GLU 7 HA GLU 7 -0.755 -10.120 -8.919
42 1HB GLU 7 2HB GLU 7 0.396 -12.036 -8.531
43 2HB GLU 7 1HB GLU 7 -0.233 -11.796 -6.912
44 1HG GLU 7 2HG GLU 7 -0.957 -13.885 -7.039
45 2HG GLU 7 1HG GLU 7 -2.208 -13.276 -8.119
46 H PHE 8 H PHE 8 -3.749 -10.001 -8.938
47 HA PHE 8 HA PHE 8 -4.091 -11.626 -11.346
48 1HB PHE 8 2HB PHE 8 -6.253 -11.577 -9.249
49 2HB PHE 8 1HB PHE 8 -6.122 -12.625 -10.656
50 HD1 PHE 8 1HD PHE 8 -5.229 -12.133 -7.195
51 HD2 PHE 8 2HD PHE 8 -4.445 -14.447 -10.678
52 HE1 PHE 8 1HE PHE 8 -4.163 -13.861 -5.803
53 HE2 PHE 8 2HE PHE 8 -3.378 -16.179 -9.295
54 HZ PHE 8 HZ PHE 8 -3.238 -15.888 -6.852
55 H ASN 9 H ASN 9 -6.768 -11.128 -11.796
56 HA ASN 9 HA ASN 9 -6.692 -8.478 -12.816
57 1HB ASN 9 2HB ASN 9 -8.807 -10.615 -12.690
58 2HB ASN 9 1HB ASN 9 -9.184 -9.002 -13.291
59 1HD2 ASN 9 1HD2 ASN 9 -8.858 -11.826 -14.463
60 2HD2 ASN 9 2HD2 ASN 9 -7.912 -11.555 -15.882
61 HA PRO 10 HA PRO 10 -10.018 -7.603 -9.400
62 1HB PRO 10 2HB PRO 10 -10.058 -9.321 -7.281
63 2HB PRO 10 1HB PRO 10 -11.108 -9.489 -8.693
64 1HG PRO 10 2HG PRO 10 -8.558 -10.911 -8.044
65 2HG PRO 10 1HG PRO 10 -10.056 -11.556 -8.740
66 1HD PRO 10 2HD PRO 10 -7.885 -10.993 -10.239
67 2HD PRO 10 1HD PRO 10 -9.537 -10.819 -10.861
68 H LEU 11 H LEU 11 -7.924 -6.290 -9.451
69 HA LEU 11 HA LEU 11 -5.900 -6.521 -7.553
70 1HB LEU 11 2HB LEU 11 -5.729 -3.995 -7.809
71 2HB LEU 11 1HB LEU 11 -5.519 -4.966 -9.247
72 HG LEU 11 HG LEU 11 -6.964 -2.777 -9.289
73 1HD1 LEU 11 1HD1 LEU 11 -7.531 -3.455 -11.331
74 2HD1 LEU 11 2HD1 LEU 11 -8.438 -4.839 -10.724
75 3HD1 LEU 11 3HD1 LEU 11 -6.689 -4.952 -10.928
76 1HD2 LEU 11 1HD2 LEU 11 -9.301 -3.090 -8.913
77 2HD2 LEU 11 2HD2 LEU 11 -8.450 -3.547 -7.439
78 3HD2 LEU 11 3HD2 LEU 11 -9.069 -4.793 -8.522
79 H CYS 12 H CYS 12 -5.726 -4.348 -6.053
80 HA CYS 12 HA CYS 12 -6.410 -4.725 -3.635
81 1HB CYS 12 2HB CYS 12 -6.699 -2.399 -3.199
82 2HB CYS 12 1HB CYS 12 -5.575 -2.566 -4.535
83 H ARG 13 H ARG 13 -8.165 -6.313 -4.147
84 HA ARG 13 HA ARG 13 -10.862 -5.302 -4.291
85 1HB ARG 13 2HB ARG 13 -9.564 -7.836 -4.607
86 2HB ARG 13 1HB ARG 13 -10.880 -8.009 -3.454
87 1HG ARG 13 2HG ARG 13 -11.146 -6.821 -6.207
88 2HG ARG 13 1HG ARG 13 -11.558 -8.480 -5.771
89 1HD ARG 13 2HD ARG 13 -13.613 -7.490 -5.589
90 2HD ARG 13 1HD ARG 13 -13.021 -7.286 -3.942
91 HE ARG 13 HE ARG 13 -12.390 -5.076 -5.660
92 1HH1 ARG 13 1HH1 ARG 13 -14.837 -6.466 -3.594
93 2HH1 ARG 13 2HH1 ARG 13 -15.601 -4.947 -3.266
94 1HH2 ARG 13 1HH2 ARG 13 -13.393 -3.077 -5.230
95 2HH2 ARG 13 2HH2 ARG 13 -14.781 -3.022 -4.195
96 H CYS 14 H CYS 14 -9.251 -4.416 -2.016
97 HA CYS 14 HA CYS 14 -10.902 -5.444 0.157
98 1HB CYS 14 2HB CYS 14 -9.101 -5.500 1.583
99 2HB CYS 14 1HB CYS 14 -8.292 -5.887 0.071
100 H ASN 15 H ASN 15 -10.413 -3.692 2.012
101 HA ASN 15 HA ASN 15 -10.561 -0.967 1.123
102 1HB ASN 15 2HB ASN 15 -12.975 -2.443 1.323
103 2HB ASN 15 1HB ASN 15 -12.947 -1.300 2.650
104 1HD2 ASN 15 1HD2 ASN 15 -12.502 0.954 2.100
105 2HD2 ASN 15 2HD2 ASN 15 -13.094 1.570 0.599
106 H LYS 16 H LYS 16 -11.516 -3.077 3.784
107 HA LYS 16 HA LYS 16 -11.584 -1.860 6.030
108 1HB LYS 16 2HB LYS 16 -11.245 -4.278 5.883
109 2HB LYS 16 1HB LYS 16 -9.530 -4.028 5.588
110 1HG LYS 16 2HG LYS 16 -10.352 -2.682 7.996
111 2HG LYS 16 1HG LYS 16 -10.796 -4.389 8.045
112 1HD LYS 16 2HD LYS 16 -8.260 -4.496 7.038
113 2HD LYS 16 1HD LYS 16 -8.153 -3.122 8.138
114 1HE LYS 16 2HE LYS 16 -9.225 -4.600 9.885
115 2HE LYS 16 1HE LYS 16 -8.975 -5.947 8.776
116 1HZ LYS 16 1HZ LYS 16 -7.062 -4.523 10.413
117 2HZ LYS 16 2HZ LYS 16 -6.538 -4.836 8.836
118 3HZ LYS 16 3HZ LYS 16 -7.023 -6.112 9.835
119 H MET 17 H MET 17 -10.501 0.187 4.948
120 HA MET 17 HA MET 17 -7.693 0.489 5.404
121 1HB MET 17 2HB MET 17 -8.217 2.944 5.135
122 2HB MET 17 1HB MET 17 -8.540 1.887 3.768
123 1HG MET 17 2HG MET 17 -10.634 2.595 3.699
124 2HG MET 17 1HG MET 17 -10.892 2.012 5.342
125 1HE MET 17 1HE MET 17 -11.539 4.718 3.214
126 2HE MET 17 2HE MET 17 -9.842 5.192 3.153
127 3HE MET 17 3HE MET 17 -11.020 6.231 3.955
128 H LEU 18 H LEU 18 -8.074 -0.446 7.596
129 HA LEU 18 HA LEU 18 -7.507 1.517 9.531
130 1HB LEU 18 2HB LEU 18 -9.464 0.927 11.031
131 2HB LEU 18 1HB LEU 18 -9.796 1.980 9.669
132 HG LEU 18 HG LEU 18 -10.332 -0.479 8.601
133 1HD1 LEU 18 1HD1 LEU 18 -10.286 -1.858 10.422
134 2HD1 LEU 18 2HD1 LEU 18 -11.968 -1.331 10.480
135 3HD1 LEU 18 3HD1 LEU 18 -10.773 -0.584 11.540
136 1HD2 LEU 18 1HD2 LEU 18 -11.633 1.819 8.836
137 2HD2 LEU 18 2HD2 LEU 18 -12.528 0.899 10.046
138 3HD2 LEU 18 3HD2 LEU 18 -12.453 0.324 8.380
139 H GLY 19 H GLY 19 -5.828 -0.318 9.078
140 1HA GLY 19 2HA GLY 19 -5.917 -2.034 11.401
141 2HA GLY 19 1HA GLY 19 -6.013 -2.902 9.879
142 H ASP 20 H ASP 20 -4.213 -2.729 8.393
143 HA ASP 20 HA ASP 20 -1.731 -2.936 9.730
144 1HB ASP 20 2HB ASP 20 -1.906 -2.580 6.768
145 2HB ASP 20 1HB ASP 20 -0.843 -3.617 7.703
146 H LEU 21 H LEU 21 0.241 -1.795 8.789
147 HA LEU 21 HA LEU 21 -0.245 1.033 8.295
148 1HB LEU 21 2HB LEU 21 1.194 1.699 10.027
149 2HB LEU 21 1HB LEU 21 0.109 0.514 10.720
150 HG LEU 21 HG LEU 21 2.979 0.033 9.935
151 1HD1 LEU 21 1HD1 LEU 21 3.268 -0.299 12.376
152 2HD1 LEU 21 2HD1 LEU 21 1.626 0.300 12.607
153 3HD1 LEU 21 3HD1 LEU 21 2.860 1.356 11.921
154 1HD2 LEU 21 1HD2 LEU 21 2.352 -2.098 11.396
155 2HD2 LEU 21 2HD2 LEU 21 2.141 -2.062 9.646
156 3HD2 LEU 21 3HD2 LEU 21 0.761 -1.775 10.706
157 H ILE 22 H ILE 22 0.556 1.171 6.286
158 HA ILE 22 HA ILE 22 3.140 -0.058 5.673
159 HB ILE 22 HB ILE 22 1.549 -0.648 4.056
160 1HG1 ILE 22 2HG1 ILE 22 3.776 0.494 3.270
161 2HG1 ILE 22 1HG1 ILE 22 2.557 -0.020 2.112
162 1HG2 ILE 22 1HG2 ILE 22 0.294 1.214 2.788
163 2HG2 ILE 22 2HG2 ILE 22 0.658 2.191 4.211
164 3HG2 ILE 22 3HG2 ILE 22 -0.288 0.710 4.375
165 1HD1 ILE 22 1HD1 ILE 22 1.986 2.101 1.559
166 2HD1 ILE 22 2HD1 ILE 22 3.663 2.370 2.017
167 3HD1 ILE 22 3HD1 ILE 22 2.373 2.746 3.153
168 H CYS 23 H CYS 23 4.774 1.151 4.576
169 HA CYS 23 HA CYS 23 4.614 4.065 5.064
170 1HB CYS 23 2HB CYS 23 6.227 2.975 6.573
171 2HB CYS 23 1HB CYS 23 7.060 2.282 5.187
172 H ALA 24 H ALA 24 3.858 4.513 2.976
173 HA ALA 24 HA ALA 24 5.447 3.556 0.739
174 1HB ALA 24 1HB ALA 24 3.585 4.949 -0.509
175 2HB ALA 24 2HB ALA 24 2.748 4.719 1.026
176 3HB ALA 24 3HB ALA 24 3.294 3.320 0.099
177 H VAL 25 H VAL 25 6.463 4.765 -0.737
178 HA VAL 25 HA VAL 25 6.710 7.646 -0.321
179 HB VAL 25 HB VAL 25 8.595 6.377 0.801
180 1HG1 VAL 25 1HG1 VAL 25 8.836 4.678 -0.994
181 2HG1 VAL 25 2HG1 VAL 25 10.351 5.457 -0.539
182 3HG1 VAL 25 3HG1 VAL 25 9.529 5.931 -2.025
183 1HG2 VAL 25 1HG2 VAL 25 9.660 8.160 -1.349
184 2HG2 VAL 25 2HG2 VAL 25 10.109 8.075 0.355
185 3HG2 VAL 25 3HG2 VAL 25 8.573 8.801 -0.117
186 H ILE 26 H ILE 26 7.312 8.799 -2.151
187 HA ILE 26 HA ILE 26 7.515 7.334 -4.675
188 HB ILE 26 HB ILE 26 5.889 9.452 -5.381
189 1HG1 ILE 26 2HG1 ILE 26 5.355 9.685 -2.920
190 2HG1 ILE 26 1HG1 ILE 26 3.964 9.453 -3.971
191 1HG2 ILE 26 1HG2 ILE 26 6.025 6.821 -5.879
192 2HG2 ILE 26 2HG2 ILE 26 4.680 7.844 -6.384
193 3HG2 ILE 26 3HG2 ILE 26 4.546 6.871 -4.920
194 1HD1 ILE 26 1HD1 ILE 26 4.642 6.888 -3.216
195 2HD1 ILE 26 2HD1 ILE 26 3.341 7.872 -2.545
196 3HD1 ILE 26 3HD1 ILE 26 4.919 7.846 -1.762
197 H GLY 27 H GLY 27 9.637 8.043 -4.747
198 1HA GLY 27 2HA GLY 27 11.307 9.385 -5.573
199 2HA GLY 27 1HA GLY 27 10.061 10.522 -6.065
200 H ASP 28 H ASP 28 8.946 11.463 -3.952
201 HA ASP 28 HA ASP 28 10.816 12.063 -1.842
202 1HB ASP 28 2HB ASP 28 10.589 14.551 -2.215
203 2HB ASP 28 1HB ASP 28 11.583 13.708 -3.399
204 H ALA 29 H ALA 29 8.080 10.911 -2.312
205 HA ALA 29 HA ALA 29 6.645 12.678 -0.429
206 1HB ALA 29 1HB ALA 29 5.128 12.960 -2.048
207 2HB ALA 29 2HB ALA 29 4.645 11.297 -1.713
208 3HB ALA 29 3HB ALA 29 5.784 11.639 -3.015
209 H LYS 30 H LYS 30 7.630 11.371 1.222
210 HA LYS 30 HA LYS 30 6.785 8.591 1.358
211 1HB LYS 30 2HB LYS 30 9.106 9.136 1.918
212 2HB LYS 30 1HB LYS 30 8.557 10.205 3.201
213 1HG LYS 30 2HG LYS 30 7.376 7.652 3.608
214 2HG LYS 30 1HG LYS 30 9.104 7.431 3.325
215 1HD LYS 30 2HD LYS 30 7.880 9.310 5.346
216 2HD LYS 30 1HD LYS 30 8.601 7.740 5.707
217 1HE LYS 30 2HE LYS 30 10.461 8.947 6.081
218 2HE LYS 30 1HE LYS 30 10.610 8.912 4.325
219 1HZ LYS 30 1HZ LYS 30 10.074 11.080 4.148
220 2HZ LYS 30 2HZ LYS 30 10.632 11.150 5.743
221 3HZ LYS 30 3HZ LYS 30 8.973 11.045 5.432
222 H GLU 31 H GLU 31 4.846 8.186 2.150
223 HA GLU 31 HA GLU 31 4.055 9.366 4.693
224 1HB GLU 31 2HB GLU 31 1.742 9.781 3.810
225 2HB GLU 31 1HB GLU 31 2.972 10.868 3.179
226 1HG GLU 31 2HG GLU 31 2.926 8.768 1.371
227 2HG GLU 31 1HG GLU 31 1.232 9.029 1.787
228 H GLU 32 H GLU 32 2.907 7.965 5.963
229 HA GLU 32 HA GLU 32 2.905 5.222 5.220
230 1HB GLU 32 2HB GLU 32 1.895 6.750 7.587
231 2HB GLU 32 1HB GLU 32 1.427 5.070 7.373
232 1HG GLU 32 2HG GLU 32 4.146 5.001 6.992
233 2HG GLU 32 1HG GLU 32 3.951 6.206 8.264
234 H HIS 33 H HIS 33 0.869 3.892 5.662
235 HA HIS 33 HA HIS 33 -1.632 5.095 4.947
236 1HB HIS 33 2HB HIS 33 -0.080 4.500 2.791
237 2HB HIS 33 1HB HIS 33 -0.961 2.989 2.994
238 HD1 HIS 33 1HD HIS 33 -3.606 3.156 2.842
239 HD2 HIS 33 2HD HIS 33 -1.524 6.562 1.688
240 HE1 HIS 33 1HE HIS 33 -5.264 4.561 1.576
241 HE2 HIS 33 2HE HIS 33 -4.007 6.658 0.968
242 H ARG 34 H ARG 34 -3.389 3.583 4.998
243 HA ARG 34 HA ARG 34 -2.803 1.323 6.763
244 1HB ARG 34 2HB ARG 34 -5.535 2.358 6.052
245 2HB ARG 34 1HB ARG 34 -5.069 1.384 7.438
246 1HG ARG 34 2HG ARG 34 -4.422 4.282 6.947
247 2HG ARG 34 1HG ARG 34 -5.485 3.613 8.187
248 1HD ARG 34 2HD ARG 34 -2.528 3.056 7.994
249 2HD ARG 34 1HD ARG 34 -3.240 4.296 9.027
250 HE ARG 34 HE ARG 34 -3.210 1.457 9.486
251 1HH1 ARG 34 1HH1 ARG 34 -4.840 4.458 10.210
252 2HH1 ARG 34 2HH1 ARG 34 -5.497 3.885 11.705
253 1HH2 ARG 34 1HH2 ARG 34 -4.074 0.702 11.453
254 2HH2 ARG 34 2HH2 ARG 34 -5.062 1.753 12.413
255 H ASN 35 H ASN 35 -5.004 1.988 4.028
256 HA ASN 35 HA ASN 35 -5.213 -0.822 3.439
257 1HB ASN 35 2HB ASN 35 -6.726 1.496 2.838
258 2HB ASN 35 1HB ASN 35 -6.232 0.794 1.301
259 1HD2 ASN 35 1HD2 ASN 35 -6.868 -0.903 4.325
260 2HD2 ASN 35 2HD2 ASN 35 -8.217 -1.808 3.740
261 H MET 36 H MET 36 -2.831 -0.944 3.234
262 HA MET 36 HA MET 36 -1.376 0.148 1.138
263 1HB MET 36 2HB MET 36 -0.303 -0.991 2.968
264 2HB MET 36 1HB MET 36 -1.104 -2.500 2.559
265 1HG MET 36 2HG MET 36 0.442 -1.434 0.345
266 2HG MET 36 1HG MET 36 1.423 -1.716 1.784
267 1HE MET 36 1HE MET 36 0.508 -3.654 3.275
268 2HE MET 36 2HE MET 36 1.310 -5.113 2.691
269 3HE MET 36 3HE MET 36 -0.449 -5.001 2.656
270 H CYS 37 H CYS 37 -3.872 -2.217 1.060
271 HA CYS 37 HA CYS 37 -3.053 -3.508 -1.347
272 1HB CYS 37 2HB CYS 37 -4.736 -4.936 -0.911
273 2HB CYS 37 1HB CYS 37 -4.898 -4.078 0.613
274 H ALA 38 H ALA 38 -5.494 -1.034 -0.616
275 HA ALA 38 HA ALA 38 -6.249 -0.608 -3.314
276 1HB ALA 38 1HB ALA 38 -7.455 0.079 -1.121
277 2HB ALA 38 2HB ALA 38 -7.588 1.111 -2.544
278 3HB ALA 38 3HB ALA 38 -6.470 1.535 -1.248
279 H LEU 39 H LEU 39 -3.505 0.264 -1.549
280 HA LEU 39 HA LEU 39 -2.828 2.634 -3.031
281 1HB LEU 39 2HB LEU 39 -1.947 1.245 -0.721
282 2HB LEU 39 1HB LEU 39 -0.571 1.430 -1.782
283 HG LEU 39 HG LEU 39 -0.808 3.828 -1.791
284 1HD1 LEU 39 1HD1 LEU 39 -2.513 4.967 -0.475
285 2HD1 LEU 39 2HD1 LEU 39 -3.226 3.414 -0.039
286 3HD1 LEU 39 3HD1 LEU 39 -3.247 3.956 -1.717
287 1HD2 LEU 39 1HD2 LEU 39 0.506 2.968 0.006
288 2HD2 LEU 39 2HD2 LEU 39 -0.934 2.611 0.959
289 3HD2 LEU 39 3HD2 LEU 39 -0.480 4.285 0.641
290 H CYS 40 H CYS 40 -1.850 -0.747 -2.982
291 HA CYS 40 HA CYS 40 0.176 -0.515 -4.923
292 1HB CYS 40 2HB CYS 40 0.316 -2.860 -4.872
293 2HB CYS 40 1HB CYS 40 -0.216 -2.422 -3.254
294 H CYS 41 H CYS 41 -3.273 -1.155 -5.105
295 HA CYS 41 HA CYS 41 -3.227 -1.762 -7.910
296 1HB CYS 41 2HB CYS 41 -5.487 -2.131 -7.704
297 2HB CYS 41 1HB CYS 41 -4.945 -2.400 -6.060
298 H GLU 42 H GLU 42 -3.946 1.047 -5.942
299 HA GLU 42 HA GLU 42 -4.739 2.676 -8.182
300 1HB GLU 42 2HB GLU 42 -5.481 2.841 -5.699
301 2HB GLU 42 1HB GLU 42 -4.006 3.776 -5.493
302 1HG GLU 42 2HG GLU 42 -4.985 5.586 -6.295
303 2HG GLU 42 1HG GLU 42 -5.435 4.738 -7.775
304 H HIS 43 H HIS 43 -1.731 1.737 -7.003
305 HA HIS 43 HA HIS 43 -0.455 4.188 -8.023
306 1HB HIS 43 2HB HIS 43 0.483 2.114 -6.053
307 2HB HIS 43 1HB HIS 43 1.569 3.302 -6.764
308 HD1 HIS 43 1HD HIS 43 -0.409 5.727 -6.663
309 HD2 HIS 43 2HD HIS 43 0.386 3.152 -3.502
310 HE1 HIS 43 1HE HIS 43 -1.006 7.010 -4.586
311 HE2 HIS 43 2HE HIS 43 -0.370 5.487 -2.685
312 HA PRO 44 HA PRO 44 1.506 2.126 -11.373
313 1HB PRO 44 2HB PRO 44 4.162 3.142 -10.674
314 2HB PRO 44 1HB PRO 44 3.122 3.586 -12.027
315 1HG PRO 44 2HG PRO 44 3.605 5.274 -9.980
316 2HG PRO 44 1HG PRO 44 2.051 5.244 -10.833
317 1HD PRO 44 2HD PRO 44 2.790 4.000 -8.205
318 2HD PRO 44 1HD PRO 44 1.327 4.909 -8.639
319 H GLY 45 H GLY 45 1.474 -0.062 -10.942
320 1HA GLY 45 2HA GLY 45 2.283 -2.133 -10.355
321 2HA GLY 45 1HA GLY 45 3.880 -1.424 -10.566
322 H GLY 46 H GLY 46 1.748 0.000 -8.261
323 1HA GLY 46 2HA GLY 46 1.579 -0.288 -5.951
324 2HA GLY 46 1HA GLY 46 2.820 -1.528 -6.030
325 H PHE 47 H PHE 47 2.141 1.668 -5.186
326 HA PHE 47 HA PHE 47 4.452 3.089 -5.659
327 1HB PHE 47 2HB PHE 47 2.335 3.165 -3.611
328 2HB PHE 47 1HB PHE 47 3.862 3.854 -3.085
329 HD1 PHE 47 1HD PHE 47 2.268 5.875 -2.858
330 HD2 PHE 47 2HD PHE 47 3.477 4.232 -6.590
331 HE1 PHE 47 1HE PHE 47 1.696 7.991 -3.974
332 HE2 PHE 47 2HE PHE 47 2.907 6.342 -7.713
333 HZ PHE 47 HZ PHE 47 2.016 8.227 -6.404
334 H GLU 48 H GLU 48 6.182 3.655 -4.002
335 HA GLU 48 HA GLU 48 7.460 1.169 -3.234
336 1HB GLU 48 2HB GLU 48 8.771 3.029 -4.159
337 2HB GLU 48 1HB GLU 48 8.320 4.025 -2.782
338 1HG GLU 48 2HG GLU 48 10.020 3.252 -1.620
339 2HG GLU 48 1HG GLU 48 9.435 1.602 -1.815
340 H TYR 49 H TYR 49 6.112 0.363 -1.614
341 HA TYR 49 HA TYR 49 6.108 1.953 0.840
342 1HB TYR 49 2HB TYR 49 4.340 0.327 1.570
343 2HB TYR 49 1HB TYR 49 3.894 1.496 0.342
344 HD1 TYR 49 1HD TYR 49 2.153 0.454 -0.737
345 HD2 TYR 49 2HD TYR 49 5.758 -1.690 -0.088
346 HE1 TYR 49 1HE TYR 49 1.318 -1.364 -2.135
347 HE2 TYR 49 2HE TYR 49 4.950 -3.509 -1.489
348 HH TYR 49 HH TYR 49 2.800 -3.365 -3.627
349 H SER 50 H SER 50 6.177 0.763 2.835
350 HA SER 50 HA SER 50 7.641 -1.745 2.774
351 1HB SER 50 2HB SER 50 9.396 -0.945 4.257
352 2HB SER 50 1HB SER 50 9.392 0.004 2.770
353 HG SER 50 HG SER 50 8.843 1.726 3.867
354 H ASN 51 H ASN 51 6.116 -2.845 3.805
355 HA ASN 51 HA ASN 51 4.266 -1.994 5.588
356 1HB ASN 51 2HB ASN 51 5.652 -4.665 5.804
357 2HB ASN 51 1HB ASN 51 4.038 -4.250 6.380
358 1HD2 ASN 51 1HD2 ASN 51 3.024 -2.846 4.288
359 2HD2 ASN 51 2HD2 ASN 51 2.883 -3.864 2.901
360 H GLY 52 H GLY 52 4.161 -1.424 7.654
361 1HA GLY 52 2HA GLY 52 5.148 -1.936 9.943
362 2HA GLY 52 1HA GLY 52 6.676 -1.482 9.205
363 HA PRO 53 HA PRO 53 4.625 2.241 11.240
364 1HB PRO 53 2HB PRO 53 6.761 2.908 12.796
365 2HB PRO 53 1HB PRO 53 5.476 1.817 13.326
366 1HG PRO 53 2HG PRO 53 8.186 1.163 12.234
367 2HG PRO 53 1HG PRO 53 7.324 0.433 13.602
368 1HD PRO 53 2HD PRO 53 7.429 -0.745 11.178
369 2HD PRO 53 1HD PRO 53 6.006 -0.880 12.232
370 H CYS 54 H CYS 54 5.414 4.495 11.201
371 HA CYS 54 HA CYS 54 7.762 5.359 10.002
372 1HB CYS 54 2HB CYS 54 5.966 4.213 8.105
373 2HB CYS 54 1HB CYS 54 6.022 5.948 7.819
374 H GLU 55 H GLU 55 4.299 5.880 10.349
375 HA GLU 55 HA GLU 55 4.828 8.750 10.753
376 1HB GLU 55 2HB GLU 55 2.712 7.324 9.291
377 2HB GLU 55 1HB GLU 55 2.127 8.605 10.341
378 1HG GLU 55 2HG GLU 55 4.310 9.706 9.005
379 2HG GLU 55 1HG GLU 55 3.437 8.779 7.785
Start of MODEL 4
1 1H ALA 1 1H ALA 1 10.449 -4.571 2.656
2 2H ALA 1 2H ALA 1 11.630 -3.591 1.888
3 3H ALA 1 3H ALA 1 11.889 -5.279 2.054
4 HA ALA 1 HA ALA 1 11.276 -5.064 -0.102
5 1HB ALA 1 1HB ALA 1 8.971 -5.790 1.660
6 2HB ALA 1 2HB ALA 1 10.004 -6.832 0.683
7 3HB ALA 1 3HB ALA 1 8.796 -5.809 -0.095
8 H HIS 2 H HIS 2 10.500 -3.853 -1.756
9 HA HIS 2 HA HIS 2 8.760 -1.579 -1.086
10 1HB HIS 2 2HB HIS 2 11.232 -1.585 -2.824
11 2HB HIS 2 1HB HIS 2 10.072 -0.264 -2.791
12 HD1 HIS 2 1HD HIS 2 13.191 -1.150 -1.405
13 HD2 HIS 2 2HD HIS 2 9.767 0.640 0.122
14 HE1 HIS 2 1HE HIS 2 13.929 0.044 0.681
15 HE2 HIS 2 2HE HIS 2 11.815 1.009 1.655
16 H MET 3 H MET 3 7.528 -3.682 -1.895
17 HA MET 3 HA MET 3 6.293 -2.963 -4.327
18 1HB MET 3 2HB MET 3 8.581 -4.616 -4.606
19 2HB MET 3 1HB MET 3 7.175 -5.614 -4.949
20 1HG MET 3 2HG MET 3 6.429 -3.763 -6.514
21 2HG MET 3 1HG MET 3 8.051 -3.098 -6.326
22 1HE MET 3 1HE MET 3 7.469 -4.955 -9.868
23 2HE MET 3 2HE MET 3 8.329 -3.519 -9.308
24 3HE MET 3 3HE MET 3 6.633 -3.754 -8.884
25 H ASP 4 H ASP 4 6.994 -6.023 -2.647
26 HA ASP 4 HA ASP 4 4.941 -7.590 -2.854
27 1HB ASP 4 2HB ASP 4 6.576 -6.881 -0.546
28 2HB ASP 4 1HB ASP 4 5.002 -7.523 -0.079
29 H CYS 5 H CYS 5 2.808 -7.419 -3.038
30 HA CYS 5 HA CYS 5 1.263 -6.079 -1.030
31 1HB CYS 5 2HB CYS 5 0.224 -4.425 -2.455
32 2HB CYS 5 1HB CYS 5 1.962 -4.187 -2.447
33 H THR 6 H THR 6 -1.128 -5.746 -2.596
34 HA THR 6 HA THR 6 -2.276 -8.281 -2.395
35 HB THR 6 HB THR 6 -3.109 -5.893 -4.068
36 HG1 THR 6 1HG THR 6 -2.971 -5.611 -1.767
37 1HG2 THR 6 1HG2 THR 6 -4.371 -7.667 -4.947
38 2HG2 THR 6 2HG2 THR 6 -5.414 -6.876 -3.765
39 3HG2 THR 6 3HG2 THR 6 -4.609 -8.390 -3.357
40 H GLU 7 H GLU 7 -0.098 -7.177 -4.901
41 HA GLU 7 HA GLU 7 -0.890 -8.053 -7.272
42 1HB GLU 7 2HB GLU 7 1.682 -8.158 -5.856
43 2HB GLU 7 1HB GLU 7 1.560 -9.250 -7.228
44 1HG GLU 7 2HG GLU 7 1.336 -7.537 -8.749
45 2HG GLU 7 1HG GLU 7 0.746 -6.399 -7.537
46 H PHE 8 H PHE 8 -2.483 -9.617 -7.222
47 HA PHE 8 HA PHE 8 -1.538 -12.324 -7.412
48 1HB PHE 8 2HB PHE 8 -3.397 -11.508 -5.170
49 2HB PHE 8 1HB PHE 8 -3.242 -13.170 -5.723
50 HD1 PHE 8 1HD PHE 8 -2.077 -10.802 -3.426
51 HD2 PHE 8 2HD PHE 8 -0.776 -14.079 -5.808
52 HE1 PHE 8 1HE PHE 8 -0.150 -11.120 -1.929
53 HE2 PHE 8 2HE PHE 8 1.152 -14.404 -4.316
54 HZ PHE 8 HZ PHE 8 1.467 -12.923 -2.373
55 H ASN 9 H ASN 9 -4.222 -13.475 -7.110
56 HA ASN 9 HA ASN 9 -5.196 -12.903 -9.715
57 1HB ASN 9 2HB ASN 9 -5.825 -14.777 -7.554
58 2HB ASN 9 1HB ASN 9 -7.247 -14.254 -8.452
59 1HD2 ASN 9 1HD2 ASN 9 -4.719 -16.411 -8.348
60 2HD2 ASN 9 2HD2 ASN 9 -4.790 -16.988 -9.974
61 HA PRO 10 HA PRO 10 -8.668 -10.519 -7.534
62 1HB PRO 10 2HB PRO 10 -8.996 -10.591 -4.898
63 2HB PRO 10 1HB PRO 10 -9.410 -11.997 -5.888
64 1HG PRO 10 2HG PRO 10 -7.027 -11.534 -4.155
65 2HG PRO 10 1HG PRO 10 -7.928 -13.031 -4.450
66 1HD PRO 10 2HD PRO 10 -5.527 -12.248 -5.700
67 2HD PRO 10 1HD PRO 10 -6.594 -13.574 -6.201
68 H LEU 11 H LEU 11 -7.676 -8.570 -8.128
69 HA LEU 11 HA LEU 11 -5.608 -7.292 -6.752
70 1HB LEU 11 2HB LEU 11 -7.735 -5.723 -8.143
71 2HB LEU 11 1HB LEU 11 -6.011 -5.414 -8.069
72 HG LEU 11 HG LEU 11 -7.413 -7.510 -9.724
73 1HD1 LEU 11 1HD1 LEU 11 -6.235 -4.856 -10.231
74 2HD1 LEU 11 2HD1 LEU 11 -7.553 -5.693 -11.051
75 3HD1 LEU 11 3HD1 LEU 11 -5.879 -6.110 -11.418
76 1HD2 LEU 11 1HD2 LEU 11 -5.213 -8.167 -10.524
77 2HD2 LEU 11 2HD2 LEU 11 -5.338 -8.421 -8.784
78 3HD2 LEU 11 3HD2 LEU 11 -4.451 -7.031 -9.411
79 H CYS 12 H CYS 12 -6.057 -4.919 -5.896
80 HA CYS 12 HA CYS 12 -6.725 -5.064 -3.346
81 1HB CYS 12 2HB CYS 12 -6.893 -2.743 -3.203
82 2HB CYS 12 1HB CYS 12 -5.852 -3.033 -4.582
83 H ARG 13 H ARG 13 -8.439 -6.723 -3.716
84 HA ARG 13 HA ARG 13 -11.134 -5.587 -3.906
85 1HB ARG 13 2HB ARG 13 -10.064 -8.061 -4.640
86 2HB ARG 13 1HB ARG 13 -11.010 -8.412 -3.201
87 1HG ARG 13 2HG ARG 13 -12.106 -6.886 -5.545
88 2HG ARG 13 1HG ARG 13 -12.207 -8.642 -5.400
89 1HD ARG 13 2HD ARG 13 -13.662 -8.543 -3.610
90 2HD ARG 13 1HD ARG 13 -13.151 -6.920 -3.151
91 HE ARG 13 HE ARG 13 -15.175 -7.632 -5.082
92 1HH1 ARG 13 1HH1 ARG 13 -13.018 -5.132 -3.944
93 2HH1 ARG 13 2HH1 ARG 13 -13.942 -3.845 -4.639
94 1HH2 ARG 13 1HH2 ARG 13 -16.390 -5.935 -5.997
95 2HH2 ARG 13 2HH2 ARG 13 -15.856 -4.299 -5.804
96 H CYS 14 H CYS 14 -9.614 -4.669 -1.833
97 HA CYS 14 HA CYS 14 -11.116 -5.617 0.473
98 1HB CYS 14 2HB CYS 14 -8.650 -5.286 1.592
99 2HB CYS 14 1HB CYS 14 -9.325 -6.837 1.115
100 H ASN 15 H ASN 15 -12.132 -3.754 1.061
101 HA ASN 15 HA ASN 15 -10.554 -1.283 1.028
102 1HB ASN 15 2HB ASN 15 -13.060 -1.698 0.023
103 2HB ASN 15 1HB ASN 15 -13.413 -1.004 1.600
104 1HD2 ASN 15 1HD2 ASN 15 -10.903 0.482 1.674
105 2HD2 ASN 15 2HD2 ASN 15 -11.106 1.819 0.601
106 H LYS 16 H LYS 16 -13.310 -2.343 3.005
107 HA LYS 16 HA LYS 16 -12.681 -0.913 5.278
108 1HB LYS 16 2HB LYS 16 -14.780 -2.024 5.252
109 2HB LYS 16 1HB LYS 16 -14.029 -3.597 5.011
110 1HG LYS 16 2HG LYS 16 -13.316 -3.740 7.222
111 2HG LYS 16 1HG LYS 16 -13.480 -2.003 7.485
112 1HD LYS 16 2HD LYS 16 -15.904 -2.192 7.377
113 2HD LYS 16 1HD LYS 16 -15.772 -3.919 7.036
114 1HE LYS 16 2HE LYS 16 -16.262 -3.765 9.334
115 2HE LYS 16 1HE LYS 16 -14.536 -4.113 9.242
116 1HZ LYS 16 1HZ LYS 16 -14.437 -1.487 9.285
117 2HZ LYS 16 2HZ LYS 16 -14.489 -2.404 10.704
118 3HZ LYS 16 3HZ LYS 16 -15.899 -1.683 10.112
119 H MET 17 H MET 17 -11.144 -3.676 3.973
120 HA MET 17 HA MET 17 -9.899 -5.213 5.598
121 1HB MET 17 2HB MET 17 -9.226 -4.302 3.196
122 2HB MET 17 1HB MET 17 -7.988 -3.466 4.122
123 1HG MET 17 2HG MET 17 -8.411 -6.412 4.440
124 2HG MET 17 1HG MET 17 -7.450 -5.771 3.109
125 1HE MET 17 1HE MET 17 -4.390 -6.738 4.908
126 2HE MET 17 2HE MET 17 -5.591 -7.092 3.667
127 3HE MET 17 3HE MET 17 -5.776 -7.759 5.290
128 H LEU 18 H LEU 18 -8.458 -5.296 7.291
129 HA LEU 18 HA LEU 18 -8.295 -3.006 8.970
130 1HB LEU 18 2HB LEU 18 -6.544 -4.543 10.174
131 2HB LEU 18 1HB LEU 18 -8.254 -4.919 10.236
132 HG LEU 18 HG LEU 18 -6.746 -6.164 8.017
133 1HD1 LEU 18 1HD1 LEU 18 -6.045 -6.546 10.860
134 2HD1 LEU 18 2HD1 LEU 18 -5.070 -6.769 9.407
135 3HD1 LEU 18 3HD1 LEU 18 -6.233 -8.005 9.886
136 1HD2 LEU 18 1HD2 LEU 18 -9.237 -6.433 8.900
137 2HD2 LEU 18 2HD2 LEU 18 -8.467 -7.639 9.929
138 3HD2 LEU 18 3HD2 LEU 18 -8.347 -7.772 8.174
139 H GLY 19 H GLY 19 -7.415 -1.697 7.166
140 1HA GLY 19 2HA GLY 19 -4.999 -1.857 5.948
141 2HA GLY 19 1HA GLY 19 -5.673 -0.337 6.510
142 H ASP 20 H ASP 20 -3.030 -2.292 6.629
143 HA ASP 20 HA ASP 20 -2.215 -1.822 9.342
144 1HB ASP 20 2HB ASP 20 -0.306 -2.587 7.163
145 2HB ASP 20 1HB ASP 20 -0.339 -3.090 8.845
146 H LEU 21 H LEU 21 0.099 -0.846 9.583
147 HA LEU 21 HA LEU 21 -0.059 1.815 8.405
148 1HB LEU 21 2HB LEU 21 1.230 2.621 10.182
149 2HB LEU 21 1HB LEU 21 0.137 1.457 10.897
150 HG LEU 21 HG LEU 21 3.093 1.154 10.414
151 1HD1 LEU 21 1HD1 LEU 21 2.059 2.344 12.456
152 2HD1 LEU 21 2HD1 LEU 21 3.314 1.132 12.711
153 3HD1 LEU 21 3HD1 LEU 21 1.621 0.717 12.974
154 1HD2 LEU 21 1HD2 LEU 21 2.834 -1.113 11.393
155 2HD2 LEU 21 2HD2 LEU 21 2.117 -0.952 9.791
156 3HD2 LEU 21 3HD2 LEU 21 1.088 -0.944 11.225
157 H ILE 22 H ILE 22 0.650 1.085 6.323
158 HA ILE 22 HA ILE 22 3.403 0.206 6.027
159 HB ILE 22 HB ILE 22 2.028 -0.793 4.413
160 1HG1 ILE 22 2HG1 ILE 22 4.081 0.678 3.557
161 2HG1 ILE 22 1HG1 ILE 22 3.093 -0.305 2.492
162 1HG2 ILE 22 1HG2 ILE 22 0.729 1.886 4.176
163 2HG2 ILE 22 2HG2 ILE 22 -0.003 0.323 4.541
164 3HG2 ILE 22 3HG2 ILE 22 0.553 0.677 2.904
165 1HD1 ILE 22 1HD1 ILE 22 2.568 2.606 2.993
166 2HD1 ILE 22 2HD1 ILE 22 1.868 1.575 1.744
167 3HD1 ILE 22 3HD1 ILE 22 3.577 2.003 1.679
168 H CYS 23 H CYS 23 5.052 1.405 5.025
169 HA CYS 23 HA CYS 23 4.580 4.319 5.026
170 1HB CYS 23 2HB CYS 23 6.489 2.967 6.403
171 2HB CYS 23 1HB CYS 23 7.363 3.320 4.917
172 H ALA 24 H ALA 24 3.668 4.247 2.915
173 HA ALA 24 HA ALA 24 5.196 3.247 0.712
174 1HB ALA 24 1HB ALA 24 3.099 4.983 -0.149
175 2HB ALA 24 2HB ALA 24 2.511 3.966 1.165
176 3HB ALA 24 3HB ALA 24 3.212 3.227 -0.274
177 H VAL 25 H VAL 25 6.343 4.337 -0.774
178 HA VAL 25 HA VAL 25 6.588 7.252 -0.509
179 HB VAL 25 HB VAL 25 8.978 5.456 -0.907
180 1HG1 VAL 25 1HG1 VAL 25 9.733 7.433 -1.692
181 2HG1 VAL 25 2HG1 VAL 25 9.943 7.780 0.025
182 3HG1 VAL 25 3HG1 VAL 25 8.513 8.366 -0.826
183 1HG2 VAL 25 1HG2 VAL 25 8.649 4.942 1.271
184 2HG2 VAL 25 2HG2 VAL 25 7.641 6.360 1.563
185 3HG2 VAL 25 3HG2 VAL 25 9.397 6.520 1.521
186 H ILE 26 H ILE 26 6.932 8.362 -2.354
187 HA ILE 26 HA ILE 26 7.203 6.843 -4.860
188 HB ILE 26 HB ILE 26 5.671 9.031 -5.572
189 1HG1 ILE 26 2HG1 ILE 26 5.196 9.120 -3.011
190 2HG1 ILE 26 1HG1 ILE 26 3.859 9.292 -4.139
191 1HG2 ILE 26 1HG2 ILE 26 5.534 6.182 -5.668
192 2HG2 ILE 26 2HG2 ILE 26 4.856 7.374 -6.775
193 3HG2 ILE 26 3HG2 ILE 26 3.927 6.845 -5.376
194 1HD1 ILE 26 1HD1 ILE 26 3.183 7.867 -2.358
195 2HD1 ILE 26 2HD1 ILE 26 4.607 6.848 -2.556
196 3HD1 ILE 26 3HD1 ILE 26 3.364 6.879 -3.806
197 H GLY 27 H GLY 27 9.379 7.506 -4.846
198 1HA GLY 27 2HA GLY 27 11.106 8.790 -5.649
199 2HA GLY 27 1HA GLY 27 9.894 9.894 -6.282
200 H ASP 28 H ASP 28 8.679 10.982 -4.281
201 HA ASP 28 HA ASP 28 10.519 11.759 -2.183
202 1HB ASP 28 2HB ASP 28 9.624 13.616 -4.370
203 2HB ASP 28 1HB ASP 28 9.991 14.238 -2.763
204 H ALA 29 H ALA 29 7.808 10.489 -2.600
205 HA ALA 29 HA ALA 29 6.339 12.267 -0.760
206 1HB ALA 29 1HB ALA 29 5.466 11.071 -3.291
207 2HB ALA 29 2HB ALA 29 4.852 12.481 -2.428
208 3HB ALA 29 3HB ALA 29 4.339 10.862 -1.951
209 H LYS 30 H LYS 30 7.357 11.029 0.927
210 HA LYS 30 HA LYS 30 6.433 8.261 1.166
211 1HB LYS 30 2HB LYS 30 8.067 8.182 3.091
212 2HB LYS 30 1HB LYS 30 8.779 8.439 1.505
213 1HG LYS 30 2HG LYS 30 8.106 10.847 3.085
214 2HG LYS 30 1HG LYS 30 9.465 9.865 3.636
215 1HD LYS 30 2HD LYS 30 9.245 10.672 0.760
216 2HD LYS 30 1HD LYS 30 9.892 11.796 1.957
217 1HE LYS 30 2HE LYS 30 11.834 10.699 2.082
218 2HE LYS 30 1HE LYS 30 11.035 9.130 2.181
219 1HZ LYS 30 1HZ LYS 30 10.628 9.691 -0.369
220 2HZ LYS 30 2HZ LYS 30 12.011 8.885 0.177
221 3HZ LYS 30 3HZ LYS 30 12.071 10.545 -0.144
222 H GLU 31 H GLU 31 4.795 7.767 2.458
223 HA GLU 31 HA GLU 31 4.330 9.121 4.949
224 1HB GLU 31 2HB GLU 31 2.841 9.886 2.558
225 2HB GLU 31 1HB GLU 31 1.786 9.343 3.855
226 1HG GLU 31 2HG GLU 31 3.058 10.954 5.352
227 2HG GLU 31 1HG GLU 31 3.730 11.626 3.867
228 H GLU 32 H GLU 32 2.730 8.015 6.263
229 HA GLU 32 HA GLU 32 2.700 5.228 5.767
230 1HB GLU 32 2HB GLU 32 0.834 5.554 7.745
231 2HB GLU 32 1HB GLU 32 2.553 5.315 7.992
232 1HG GLU 32 2HG GLU 32 1.757 7.128 9.349
233 2HG GLU 32 1HG GLU 32 2.857 7.741 8.119
234 H HIS 33 H HIS 33 1.033 3.868 5.247
235 HA HIS 33 HA HIS 33 -1.449 5.128 4.302
236 1HB HIS 33 2HB HIS 33 0.417 4.232 2.573
237 2HB HIS 33 1HB HIS 33 -0.480 2.739 2.835
238 HD1 HIS 33 1HD HIS 33 -0.626 5.968 1.075
239 HD2 HIS 33 2HD HIS 33 -3.240 2.884 2.032
240 HE1 HIS 33 1HE HIS 33 -2.639 6.315 -0.391
241 HE2 HIS 33 2HE HIS 33 -4.164 4.381 0.137
242 H ARG 34 H ARG 34 -3.306 4.057 4.747
243 HA ARG 34 HA ARG 34 -3.099 1.824 6.597
244 1HB ARG 34 2HB ARG 34 -5.014 3.941 6.071
245 2HB ARG 34 1HB ARG 34 -5.797 2.375 6.219
246 1HG ARG 34 2HG ARG 34 -3.868 2.646 8.304
247 2HG ARG 34 1HG ARG 34 -4.897 4.079 8.276
248 1HD ARG 34 2HD ARG 34 -6.824 2.862 8.690
249 2HD ARG 34 1HD ARG 34 -6.121 1.357 8.100
250 HE ARG 34 HE ARG 34 -4.659 2.062 10.331
251 1HH1 ARG 34 1HH1 ARG 34 -7.993 1.311 9.621
252 2HH1 ARG 34 2HH1 ARG 34 -8.309 0.651 11.190
253 1HH2 ARG 34 1HH2 ARG 34 -5.074 1.200 12.398
254 2HH2 ARG 34 2HH2 ARG 34 -6.652 0.589 12.768
255 H ASN 35 H ASN 35 -5.122 2.550 3.742
256 HA ASN 35 HA ASN 35 -5.735 -0.234 3.395
257 1HB ASN 35 2HB ASN 35 -6.847 2.219 2.532
258 2HB ASN 35 1HB ASN 35 -6.445 1.307 1.085
259 1HD2 ASN 35 1HD2 ASN 35 -7.444 0.092 4.247
260 2HD2 ASN 35 2HD2 ASN 35 -8.895 -0.664 3.693
261 H MET 36 H MET 36 -3.241 -0.505 3.313
262 HA MET 36 HA MET 36 -1.702 0.046 1.092
263 1HB MET 36 2HB MET 36 -0.535 -0.929 2.829
264 2HB MET 36 1HB MET 36 -1.774 -2.133 3.128
265 1HG MET 36 2HG MET 36 -0.366 -2.359 0.549
266 2HG MET 36 1HG MET 36 0.602 -2.661 1.990
267 1HE MET 36 1HE MET 36 -0.133 -4.595 -0.449
268 2HE MET 36 2HE MET 36 -1.859 -4.248 -0.544
269 3HE MET 36 3HE MET 36 -1.308 -5.858 -0.083
270 H CYS 37 H CYS 37 -4.406 -2.068 1.412
271 HA CYS 37 HA CYS 37 -3.906 -3.828 -0.736
272 1HB CYS 37 2HB CYS 37 -5.556 -4.545 0.760
273 2HB CYS 37 1HB CYS 37 -6.334 -2.971 0.809
274 H ALA 38 H ALA 38 -6.172 -1.093 -0.592
275 HA ALA 38 HA ALA 38 -6.626 -0.918 -3.354
276 1HB ALA 38 1HB ALA 38 -8.175 0.262 -2.110
277 2HB ALA 38 2HB ALA 38 -7.156 1.563 -2.726
278 3HB ALA 38 3HB ALA 38 -6.947 0.986 -1.073
279 H LEU 39 H LEU 39 -3.890 -0.079 -1.492
280 HA LEU 39 HA LEU 39 -2.807 1.935 -3.196
281 1HB LEU 39 2HB LEU 39 -2.136 0.645 -0.754
282 2HB LEU 39 1HB LEU 39 -0.761 0.496 -1.821
283 HG LEU 39 HG LEU 39 -1.990 2.992 -0.697
284 1HD1 LEU 39 1HD1 LEU 39 -0.215 2.005 0.581
285 2HD1 LEU 39 2HD1 LEU 39 0.398 3.460 -0.203
286 3HD1 LEU 39 3HD1 LEU 39 0.802 1.872 -0.854
287 1HD2 LEU 39 1HD2 LEU 39 -0.295 4.159 -2.256
288 2HD2 LEU 39 2HD2 LEU 39 -1.856 3.674 -2.918
289 3HD2 LEU 39 3HD2 LEU 39 -0.422 2.697 -3.234
290 H CYS 40 H CYS 40 -2.320 -1.529 -2.778
291 HA CYS 40 HA CYS 40 -0.270 -1.917 -4.627
292 1HB CYS 40 2HB CYS 40 -0.992 -3.638 -3.047
293 2HB CYS 40 1HB CYS 40 -2.531 -3.777 -3.881
294 H CYS 41 H CYS 41 -3.732 -1.706 -5.026
295 HA CYS 41 HA CYS 41 -3.556 -2.385 -7.842
296 1HB CYS 41 2HB CYS 41 -5.796 -2.760 -7.728
297 2HB CYS 41 1HB CYS 41 -5.376 -2.961 -6.045
298 H GLU 42 H GLU 42 -4.159 0.403 -5.824
299 HA GLU 42 HA GLU 42 -4.485 2.077 -8.216
300 1HB GLU 42 2HB GLU 42 -6.098 2.051 -6.161
301 2HB GLU 42 1HB GLU 42 -4.888 3.101 -5.437
302 1HG GLU 42 2HG GLU 42 -5.813 4.823 -6.461
303 2HG GLU 42 1HG GLU 42 -5.372 4.112 -8.012
304 H HIS 43 H HIS 43 -1.817 1.106 -7.176
305 HA HIS 43 HA HIS 43 -0.597 3.574 -6.237
306 1HB HIS 43 2HB HIS 43 1.550 2.247 -6.359
307 2HB HIS 43 1HB HIS 43 0.342 1.616 -5.248
308 HD1 HIS 43 1HD HIS 43 -0.279 0.868 -8.806
309 HD2 HIS 43 2HD HIS 43 1.670 -0.902 -5.590
310 HE1 HIS 43 1HE HIS 43 0.157 -1.505 -9.509
311 HE2 HIS 43 2HE HIS 43 1.353 -2.554 -7.557
312 HA PRO 44 HA PRO 44 0.703 5.329 -10.039
313 1HB PRO 44 2HB PRO 44 3.490 5.362 -9.004
314 2HB PRO 44 1HB PRO 44 2.496 6.695 -9.604
315 1HG PRO 44 2HG PRO 44 2.948 6.421 -7.001
316 2HG PRO 44 1HG PRO 44 1.354 6.921 -7.592
317 1HD PRO 44 2HD PRO 44 2.258 4.243 -6.598
318 2HD PRO 44 1HD PRO 44 0.719 5.088 -6.321
319 H GLY 45 H GLY 45 2.336 2.514 -8.830
320 1HA GLY 45 2HA GLY 45 2.360 0.930 -10.966
321 2HA GLY 45 1HA GLY 45 3.695 2.005 -11.357
322 H GLY 46 H GLY 46 2.537 0.216 -8.496
323 1HA GLY 46 2HA GLY 46 3.661 -1.060 -6.953
324 2HA GLY 46 1HA GLY 46 4.664 -1.568 -8.304
325 H PHE 47 H PHE 47 4.282 1.632 -6.866
326 HA PHE 47 HA PHE 47 6.948 2.342 -6.939
327 1HB PHE 47 2HB PHE 47 6.367 4.074 -5.271
328 2HB PHE 47 1HB PHE 47 5.213 3.983 -6.590
329 HD1 PHE 47 1HD PHE 47 4.082 1.273 -5.066
330 HD2 PHE 47 2HD PHE 47 4.595 5.390 -4.135
331 HE1 PHE 47 1HE PHE 47 2.234 1.138 -3.462
332 HE2 PHE 47 2HE PHE 47 2.748 5.260 -2.526
333 HZ PHE 47 HZ PHE 47 1.561 3.133 -2.192
334 H GLU 48 H GLU 48 6.545 2.925 -3.718
335 HA GLU 48 HA GLU 48 7.657 0.334 -2.880
336 1HB GLU 48 2HB GLU 48 9.438 1.658 -1.603
337 2HB GLU 48 1HB GLU 48 9.656 1.484 -3.339
338 1HG GLU 48 2HG GLU 48 8.569 3.755 -3.563
339 2HG GLU 48 1HG GLU 48 8.752 3.901 -1.817
340 H TYR 49 H TYR 49 7.798 0.097 -0.582
341 HA TYR 49 HA TYR 49 6.328 1.922 1.129
342 1HB TYR 49 2HB TYR 49 4.705 0.370 1.860
343 2HB TYR 49 1HB TYR 49 4.537 0.511 0.138
344 HD1 TYR 49 1HD TYR 49 7.309 -1.432 0.261
345 HD2 TYR 49 2HD TYR 49 3.201 -1.645 1.336
346 HE1 TYR 49 1HE TYR 49 7.419 -3.878 0.191
347 HE2 TYR 49 2HE TYR 49 3.302 -4.090 1.265
348 HH TYR 49 HH TYR 49 5.035 -5.853 1.503
349 H SER 50 H SER 50 6.156 1.005 3.313
350 HA SER 50 HA SER 50 8.374 -0.779 3.979
351 1HB SER 50 2HB SER 50 8.013 1.662 5.645
352 2HB SER 50 1HB SER 50 9.448 0.670 5.406
353 HG SER 50 HG SER 50 8.310 2.412 3.473
354 H ASN 51 H ASN 51 6.670 -2.219 4.351
355 HA ASN 51 HA ASN 51 4.437 -1.868 5.864
356 1HB ASN 51 2HB ASN 51 6.164 -4.334 5.867
357 2HB ASN 51 1HB ASN 51 4.497 -4.238 6.420
358 1HD2 ASN 51 1HD2 ASN 51 2.872 -3.658 4.860
359 2HD2 ASN 51 2HD2 ASN 51 3.089 -4.097 3.205
360 H GLY 52 H GLY 52 3.971 -1.458 7.803
361 1HA GLY 52 2HA GLY 52 4.189 -1.737 10.186
362 2HA GLY 52 1HA GLY 52 5.921 -1.931 9.961
363 HA PRO 53 HA PRO 53 4.704 2.501 11.292
364 1HB PRO 53 2HB PRO 53 6.509 2.490 13.399
365 2HB PRO 53 1HB PRO 53 4.777 2.178 13.549
366 1HG PRO 53 2HG PRO 53 7.048 0.241 13.396
367 2HG PRO 53 1HG PRO 53 5.583 0.179 14.396
368 1HD PRO 53 2HD PRO 53 5.829 -1.315 12.185
369 2HD PRO 53 1HD PRO 53 4.272 -0.594 12.643
370 H CYS 54 H CYS 54 5.907 4.242 10.710
371 HA CYS 54 HA CYS 54 8.740 4.252 10.544
372 1HB CYS 54 2HB CYS 54 8.896 3.122 8.586
373 2HB CYS 54 1HB CYS 54 7.201 3.372 8.195
374 H GLU 55 H GLU 55 5.958 5.637 8.792
375 HA GLU 55 HA GLU 55 7.073 8.303 9.072
376 1HB GLU 55 2HB GLU 55 6.081 7.774 6.944
377 2HB GLU 55 1HB GLU 55 4.588 7.257 7.710
378 1HG GLU 55 2HG GLU 55 4.072 9.352 6.869
379 2HG GLU 55 1HG GLU 55 4.424 9.671 8.566
Start of MODEL 5
1 1H ALA 1 1H ALA 1 12.894 -2.350 1.962
2 2H ALA 1 2H ALA 1 12.332 -1.084 0.949
3 3H ALA 1 3H ALA 1 13.196 -2.406 0.275
4 HA ALA 1 HA ALA 1 11.464 -3.891 0.827
5 1HB ALA 1 1HB ALA 1 9.492 -3.255 1.949
6 2HB ALA 1 2HB ALA 1 9.878 -1.539 1.816
7 3HB ALA 1 3HB ALA 1 10.818 -2.574 2.893
8 H HIS 2 H HIS 2 9.218 -3.865 -0.286
9 HA HIS 2 HA HIS 2 8.971 -1.903 -2.394
10 1HB HIS 2 2HB HIS 2 10.285 -4.368 -2.832
11 2HB HIS 2 1HB HIS 2 8.700 -4.493 -3.587
12 HD1 HIS 2 1HD HIS 2 12.019 -2.952 -3.992
13 HD2 HIS 2 2HD HIS 2 8.228 -2.540 -5.641
14 HE1 HIS 2 1HE HIS 2 12.345 -1.624 -6.102
15 HE2 HIS 2 2HE HIS 2 10.024 -1.300 -7.028
16 H MET 3 H MET 3 7.209 -3.206 -3.908
17 HA MET 3 HA MET 3 4.801 -2.898 -2.446
18 1HB MET 3 2HB MET 3 3.719 -3.704 -4.575
19 2HB MET 3 1HB MET 3 4.764 -2.300 -4.744
20 1HG MET 3 2HG MET 3 6.463 -3.553 -5.767
21 2HG MET 3 1HG MET 3 5.741 -5.084 -5.275
22 1HE MET 3 1HE MET 3 5.800 -2.124 -7.601
23 2HE MET 3 2HE MET 3 5.050 -2.764 -9.063
24 3HE MET 3 3HE MET 3 6.542 -3.479 -8.450
25 H ASP 4 H ASP 4 3.007 -4.611 -2.787
26 HA ASP 4 HA ASP 4 3.538 -7.351 -2.851
27 1HB ASP 4 2HB ASP 4 4.588 -6.340 -0.544
28 2HB ASP 4 1HB ASP 4 2.961 -6.752 -0.011
29 H CYS 5 H CYS 5 1.599 -6.800 -4.122
30 HA CYS 5 HA CYS 5 -0.792 -6.037 -2.725
31 1HB CYS 5 2HB CYS 5 -0.096 -5.611 -5.218
32 2HB CYS 5 1HB CYS 5 -0.795 -7.200 -5.488
33 H THR 6 H THR 6 -2.850 -7.443 -3.327
34 HA THR 6 HA THR 6 -2.769 -9.699 -1.747
35 HB THR 6 HB THR 6 -4.897 -8.797 -2.129
36 HG1 THR 6 1HG THR 6 -5.473 -10.830 -2.184
37 1HG2 THR 6 1HG2 THR 6 -5.085 -7.540 -3.972
38 2HG2 THR 6 2HG2 THR 6 -5.756 -9.014 -4.669
39 3HG2 THR 6 3HG2 THR 6 -4.062 -8.603 -4.938
40 H GLU 7 H GLU 7 -4.042 -10.704 -4.901
41 HA GLU 7 HA GLU 7 -1.755 -11.806 -6.010
42 1HB GLU 7 2HB GLU 7 -1.277 -13.686 -4.906
43 2HB GLU 7 1HB GLU 7 -2.269 -13.039 -3.612
44 1HG GLU 7 2HG GLU 7 -3.124 -15.152 -3.858
45 2HG GLU 7 1HG GLU 7 -4.218 -14.202 -4.860
46 H PHE 8 H PHE 8 -5.195 -11.845 -5.599
47 HA PHE 8 HA PHE 8 -5.552 -13.514 -7.977
48 1HB PHE 8 2HB PHE 8 -7.523 -12.433 -5.957
49 2HB PHE 8 1HB PHE 8 -7.987 -13.366 -7.374
50 HD1 PHE 8 1HD PHE 8 -7.411 -15.731 -7.551
51 HD2 PHE 8 2HD PHE 8 -6.542 -13.477 -4.048
52 HE1 PHE 8 1HE PHE 8 -7.088 -17.822 -6.292
53 HE2 PHE 8 2HE PHE 8 -6.213 -15.563 -2.782
54 HZ PHE 8 HZ PHE 8 -6.487 -17.739 -3.905
55 H ASN 9 H ASN 9 -7.806 -12.633 -9.099
56 HA ASN 9 HA ASN 9 -6.959 -10.374 -10.597
57 1HB ASN 9 2HB ASN 9 -9.178 -12.288 -10.660
58 2HB ASN 9 1HB ASN 9 -9.651 -10.666 -11.158
59 1HD2 ASN 9 1HD2 ASN 9 -7.335 -13.248 -11.754
60 2HD2 ASN 9 2HD2 ASN 9 -7.047 -12.854 -13.411
61 HA PRO 10 HA PRO 10 -10.491 -8.092 -8.205
62 1HB PRO 10 2HB PRO 10 -11.355 -9.256 -5.897
63 2HB PRO 10 1HB PRO 10 -12.140 -9.506 -7.460
64 1HG PRO 10 2HG PRO 10 -10.213 -11.262 -6.003
65 2HG PRO 10 1HG PRO 10 -11.661 -11.706 -6.923
66 1HD PRO 10 2HD PRO 10 -9.152 -11.947 -7.915
67 2HD PRO 10 1HD PRO 10 -10.560 -11.614 -8.940
68 H LEU 11 H LEU 11 -8.148 -7.374 -8.039
69 HA LEU 11 HA LEU 11 -6.529 -7.624 -5.817
70 1HB LEU 11 2HB LEU 11 -5.698 -5.322 -6.478
71 2HB LEU 11 1HB LEU 11 -5.590 -6.599 -7.665
72 HG LEU 11 HG LEU 11 -6.421 -4.197 -8.334
73 1HD1 LEU 11 1HD1 LEU 11 -6.533 -6.681 -9.482
74 2HD1 LEU 11 2HD1 LEU 11 -6.901 -5.153 -10.280
75 3HD1 LEU 11 3HD1 LEU 11 -8.202 -6.121 -9.588
76 1HD2 LEU 11 1HD2 LEU 11 -8.773 -3.867 -8.258
77 2HD2 LEU 11 2HD2 LEU 11 -8.245 -4.229 -6.615
78 3HD2 LEU 11 3HD2 LEU 11 -9.041 -5.472 -7.580
79 H CYS 12 H CYS 12 -6.100 -5.053 -4.898
80 HA CYS 12 HA CYS 12 -6.880 -4.770 -2.519
81 1HB CYS 12 2HB CYS 12 -7.178 -2.387 -2.657
82 2HB CYS 12 1HB CYS 12 -5.931 -2.885 -3.788
83 H ARG 13 H ARG 13 -8.646 -6.333 -2.569
84 HA ARG 13 HA ARG 13 -11.309 -5.123 -2.846
85 1HB ARG 13 2HB ARG 13 -12.187 -7.385 -2.592
86 2HB ARG 13 1HB ARG 13 -10.965 -7.354 -3.855
87 1HG ARG 13 2HG ARG 13 -9.343 -8.108 -1.999
88 2HG ARG 13 1HG ARG 13 -10.808 -8.536 -1.113
89 1HD ARG 13 2HD ARG 13 -11.385 -9.678 -3.457
90 2HD ARG 13 1HD ARG 13 -9.627 -9.752 -3.542
91 HE ARG 13 HE ARG 13 -11.350 -11.267 -1.803
92 1HH1 ARG 13 1HH1 ARG 13 -8.115 -10.050 -2.294
93 2HH1 ARG 13 2HH1 ARG 13 -7.374 -11.260 -1.300
94 1HH2 ARG 13 1HH2 ARG 13 -10.376 -12.860 -0.497
95 2HH2 ARG 13 2HH2 ARG 13 -8.657 -12.856 -0.280
96 H CYS 14 H CYS 14 -9.433 -4.334 -0.832
97 HA CYS 14 HA CYS 14 -10.849 -5.169 1.602
98 1HB CYS 14 2HB CYS 14 -8.155 -4.042 1.931
99 2HB CYS 14 1HB CYS 14 -8.889 -5.443 2.698
100 H ASN 15 H ASN 15 -12.306 -3.511 1.722
101 HA ASN 15 HA ASN 15 -11.403 -0.745 1.458
102 1HB ASN 15 2HB ASN 15 -13.855 -2.132 1.124
103 2HB ASN 15 1HB ASN 15 -14.096 -0.904 2.340
104 1HD2 ASN 15 1HD2 ASN 15 -12.327 1.020 1.450
105 2HD2 ASN 15 2HD2 ASN 15 -12.909 1.673 -0.040
106 H LYS 16 H LYS 16 -12.540 -3.022 3.808
107 HA LYS 16 HA LYS 16 -13.172 -1.441 5.954
108 1HB LYS 16 2HB LYS 16 -12.807 -3.350 7.352
109 2HB LYS 16 1HB LYS 16 -13.415 -3.933 5.809
110 1HG LYS 16 2HG LYS 16 -10.561 -3.858 5.714
111 2HG LYS 16 1HG LYS 16 -11.074 -4.711 7.173
112 1HD LYS 16 2HD LYS 16 -12.766 -5.775 5.341
113 2HD LYS 16 1HD LYS 16 -11.348 -5.463 4.338
114 1HE LYS 16 2HE LYS 16 -10.434 -7.327 5.125
115 2HE LYS 16 1HE LYS 16 -10.389 -6.590 6.727
116 1HZ LYS 16 1HZ LYS 16 -11.625 -8.827 6.350
117 2HZ LYS 16 2HZ LYS 16 -12.879 -7.837 5.795
118 3HZ LYS 16 3HZ LYS 16 -12.296 -7.656 7.371
119 H MET 17 H MET 17 -11.347 0.121 5.079
120 HA MET 17 HA MET 17 -8.704 -0.026 5.720
121 1HB MET 17 2HB MET 17 -8.982 2.488 6.365
122 2HB MET 17 1HB MET 17 -9.256 1.962 4.714
123 1HG MET 17 2HG MET 17 -11.539 2.227 4.861
124 2HG MET 17 1HG MET 17 -11.544 2.092 6.618
125 1HE MET 17 1HE MET 17 -8.760 4.669 5.202
126 2HE MET 17 2HE MET 17 -9.893 5.718 4.349
127 3HE MET 17 3HE MET 17 -9.754 4.019 3.898
128 H LEU 18 H LEU 18 -8.330 -1.272 7.517
129 HA LEU 18 HA LEU 18 -8.025 0.104 9.956
130 1HB LEU 18 2HB LEU 18 -9.571 -1.019 11.366
131 2HB LEU 18 1HB LEU 18 -10.481 -0.395 10.004
132 HG LEU 18 HG LEU 18 -9.744 -3.003 9.270
133 1HD1 LEU 18 1HD1 LEU 18 -11.178 -3.376 11.812
134 2HD1 LEU 18 2HD1 LEU 18 -9.464 -2.982 11.951
135 3HD1 LEU 18 3HD1 LEU 18 -9.970 -4.393 11.023
136 1HD2 LEU 18 1HD2 LEU 18 -12.394 -2.123 10.395
137 2HD2 LEU 18 2HD2 LEU 18 -12.088 -3.391 9.209
138 3HD2 LEU 18 3HD2 LEU 18 -11.835 -1.701 8.776
139 H GLY 19 H GLY 19 -6.185 -1.029 8.522
140 1HA GLY 19 2HA GLY 19 -5.539 -3.534 9.952
141 2HA GLY 19 1HA GLY 19 -5.113 -3.274 8.267
142 H ASP 20 H ASP 20 -2.926 -3.420 8.434
143 HA ASP 20 HA ASP 20 -1.402 -2.190 10.480
144 1HB ASP 20 2HB ASP 20 -0.421 -3.031 7.757
145 2HB ASP 20 1HB ASP 20 0.511 -2.894 9.236
146 H LEU 21 H LEU 21 0.568 -0.839 9.613
147 HA LEU 21 HA LEU 21 -0.485 1.404 8.042
148 1HB LEU 21 2HB LEU 21 0.073 2.914 9.617
149 2HB LEU 21 1HB LEU 21 -0.092 1.542 10.689
150 HG LEU 21 HG LEU 21 2.453 1.235 10.344
151 1HD1 LEU 21 1HD1 LEU 21 2.170 3.210 8.525
152 2HD1 LEU 21 2HD1 LEU 21 3.675 2.855 9.368
153 3HD1 LEU 21 3HD1 LEU 21 2.624 4.145 9.948
154 1HD2 LEU 21 1HD2 LEU 21 0.896 2.602 12.209
155 2HD2 LEU 21 2HD2 LEU 21 2.253 3.673 11.866
156 3HD2 LEU 21 3HD2 LEU 21 2.549 2.024 12.416
157 H ILE 22 H ILE 22 0.493 1.146 6.164
158 HA ILE 22 HA ILE 22 3.261 0.321 6.010
159 HB ILE 22 HB ILE 22 2.066 -0.780 4.388
160 1HG1 ILE 22 2HG1 ILE 22 3.938 0.800 3.439
161 2HG1 ILE 22 1HG1 ILE 22 2.929 -0.175 2.377
162 1HG2 ILE 22 1HG2 ILE 22 -0.056 0.229 4.619
163 2HG2 ILE 22 2HG2 ILE 22 0.385 0.285 2.913
164 3HG2 ILE 22 3HG2 ILE 22 0.529 1.733 3.907
165 1HD1 ILE 22 1HD1 ILE 22 1.692 1.638 1.660
166 2HD1 ILE 22 2HD1 ILE 22 3.315 2.309 1.801
167 3HD1 ILE 22 3HD1 ILE 22 2.123 2.619 3.060
168 H CYS 23 H CYS 23 4.866 1.493 4.825
169 HA CYS 23 HA CYS 23 4.397 4.406 4.846
170 1HB CYS 23 2HB CYS 23 6.252 3.045 6.314
171 2HB CYS 23 1HB CYS 23 7.189 3.451 4.882
172 H ALA 24 H ALA 24 3.634 4.405 2.705
173 HA ALA 24 HA ALA 24 5.240 3.300 0.600
174 1HB ALA 24 1HB ALA 24 3.481 4.770 -0.755
175 2HB ALA 24 2HB ALA 24 2.630 4.683 0.787
176 3HB ALA 24 3HB ALA 24 3.073 3.201 -0.061
177 H VAL 25 H VAL 25 6.607 4.291 -0.737
178 HA VAL 25 HA VAL 25 6.974 7.206 -0.508
179 HB VAL 25 HB VAL 25 9.297 5.330 -0.888
180 1HG1 VAL 25 1HG1 VAL 25 9.958 7.454 -1.506
181 2HG1 VAL 25 2HG1 VAL 25 10.414 7.413 0.198
182 3HG1 VAL 25 3HG1 VAL 25 8.936 8.237 -0.301
183 1HG2 VAL 25 1HG2 VAL 25 9.018 4.623 1.216
184 2HG2 VAL 25 2HG2 VAL 25 7.806 5.856 1.563
185 3HG2 VAL 25 3HG2 VAL 25 9.522 6.244 1.696
186 H ILE 26 H ILE 26 7.257 8.274 -2.389
187 HA ILE 26 HA ILE 26 7.749 6.694 -4.817
188 HB ILE 26 HB ILE 26 6.038 8.624 -5.745
189 1HG1 ILE 26 2HG1 ILE 26 5.445 9.075 -3.314
190 2HG1 ILE 26 1HG1 ILE 26 4.093 8.726 -4.384
191 1HG2 ILE 26 1HG2 ILE 26 6.189 5.809 -5.606
192 2HG2 ILE 26 2HG2 ILE 26 5.269 6.804 -6.734
193 3HG2 ILE 26 3HG2 ILE 26 4.529 6.267 -5.228
194 1HD1 ILE 26 1HD1 ILE 26 5.071 6.305 -3.196
195 2HD1 ILE 26 2HD1 ILE 26 3.466 7.032 -3.110
196 3HD1 ILE 26 3HD1 ILE 26 4.712 7.504 -1.954
197 H GLY 27 H GLY 27 9.829 7.524 -4.855
198 1HA GLY 27 2HA GLY 27 11.451 8.909 -5.705
199 2HA GLY 27 1HA GLY 27 10.160 9.933 -6.319
200 H ASP 28 H ASP 28 8.913 10.947 -4.320
201 HA ASP 28 HA ASP 28 10.669 11.807 -2.200
202 1HB ASP 28 2HB ASP 28 11.260 13.318 -4.087
203 2HB ASP 28 1HB ASP 28 9.579 13.842 -4.158
204 H ALA 29 H ALA 29 8.027 10.453 -2.669
205 HA ALA 29 HA ALA 29 6.431 12.247 -0.951
206 1HB ALA 29 1HB ALA 29 4.945 12.346 -2.612
207 2HB ALA 29 2HB ALA 29 4.564 10.669 -2.223
208 3HB ALA 29 3HB ALA 29 5.725 11.037 -3.499
209 H LYS 30 H LYS 30 7.485 11.062 0.783
210 HA LYS 30 HA LYS 30 6.686 8.278 1.103
211 1HB LYS 30 2HB LYS 30 8.988 8.804 1.634
212 2HB LYS 30 1HB LYS 30 8.484 10.070 2.744
213 1HG LYS 30 2HG LYS 30 7.383 8.297 4.126
214 2HG LYS 30 1HG LYS 30 8.144 7.101 3.076
215 1HD LYS 30 2HD LYS 30 9.658 9.218 4.601
216 2HD LYS 30 1HD LYS 30 9.398 7.573 5.188
217 1HE LYS 30 2HE LYS 30 10.893 6.677 3.741
218 2HE LYS 30 1HE LYS 30 10.503 7.824 2.461
219 1HZ LYS 30 1HZ LYS 30 12.116 8.468 4.870
220 2HZ LYS 30 2HZ LYS 30 11.815 9.493 3.560
221 3HZ LYS 30 3HZ LYS 30 12.760 8.106 3.348
222 H GLU 31 H GLU 31 4.576 8.162 1.691
223 HA GLU 31 HA GLU 31 3.809 9.587 4.152
224 1HB GLU 31 2HB GLU 31 1.875 8.991 1.920
225 2HB GLU 31 1HB GLU 31 1.639 10.043 3.309
226 1HG GLU 31 2HG GLU 31 3.075 11.691 2.429
227 2HG GLU 31 1HG GLU 31 3.698 10.596 1.197
228 H GLU 32 H GLU 32 1.812 8.561 5.166
229 HA GLU 32 HA GLU 32 2.273 5.682 5.296
230 1HB GLU 32 2HB GLU 32 2.032 7.364 7.313
231 2HB GLU 32 1HB GLU 32 0.314 7.097 7.051
232 1HG GLU 32 2HG GLU 32 1.955 4.667 7.174
233 2HG GLU 32 1HG GLU 32 1.862 5.596 8.668
234 H HIS 33 H HIS 33 0.519 4.181 5.292
235 HA HIS 33 HA HIS 33 -2.041 5.094 4.278
236 1HB HIS 33 2HB HIS 33 -0.041 4.128 2.506
237 2HB HIS 33 1HB HIS 33 -1.292 2.893 2.613
238 HD1 HIS 33 1HD HIS 33 -3.657 3.525 1.741
239 HD2 HIS 33 2HD HIS 33 -0.785 6.480 1.214
240 HE1 HIS 33 1HE HIS 33 -4.673 5.169 0.132
241 HE2 HIS 33 2HE HIS 33 -2.891 6.916 -0.222
242 H ARG 34 H ARG 34 -3.593 3.989 5.260
243 HA ARG 34 HA ARG 34 -2.925 1.675 6.840
244 1HB ARG 34 2HB ARG 34 -5.665 2.833 6.358
245 2HB ARG 34 1HB ARG 34 -5.169 1.779 7.674
246 1HG ARG 34 2HG ARG 34 -4.320 4.630 7.221
247 2HG ARG 34 1HG ARG 34 -5.373 4.020 8.498
248 1HD ARG 34 2HD ARG 34 -2.474 3.270 8.125
249 2HD ARG 34 1HD ARG 34 -3.073 4.463 9.277
250 HE ARG 34 HE ARG 34 -4.239 1.830 9.530
251 1HH1 ARG 34 1HH1 ARG 34 -1.680 3.977 10.551
252 2HH1 ARG 34 2HH1 ARG 34 -1.393 3.131 12.033
253 1HH2 ARG 34 1HH2 ARG 34 -3.858 0.717 11.480
254 2HH2 ARG 34 2HH2 ARG 34 -2.627 1.282 12.560
255 H ASN 35 H ASN 35 -5.217 2.277 4.153
256 HA ASN 35 HA ASN 35 -5.687 -0.548 3.861
257 1HB ASN 35 2HB ASN 35 -7.024 1.809 3.040
258 2HB ASN 35 1HB ASN 35 -6.630 0.910 1.579
259 1HD2 ASN 35 1HD2 ASN 35 -9.224 1.401 2.897
260 2HD2 ASN 35 2HD2 ASN 35 -9.897 -0.160 3.190
261 H MET 36 H MET 36 -3.269 -0.798 3.646
262 HA MET 36 HA MET 36 -1.741 -0.120 1.488
263 1HB MET 36 2HB MET 36 -0.781 -1.316 3.314
264 2HB MET 36 1HB MET 36 -1.863 -2.679 3.075
265 1HG MET 36 2HG MET 36 -0.050 -1.951 0.845
266 2HG MET 36 1HG MET 36 0.656 -2.709 2.270
267 1HE MET 36 1HE MET 36 -2.157 -4.864 2.924
268 2HE MET 36 2HE MET 36 -0.475 -4.660 3.413
269 3HE MET 36 3HE MET 36 -0.966 -6.100 2.522
270 H CYS 37 H CYS 37 -4.469 -2.266 1.571
271 HA CYS 37 HA CYS 37 -3.971 -3.814 -0.709
272 1HB CYS 37 2HB CYS 37 -6.463 -2.953 0.712
273 2HB CYS 37 1HB CYS 37 -6.592 -3.772 -0.839
274 H ALA 38 H ALA 38 -6.202 -1.051 -0.531
275 HA ALA 38 HA ALA 38 -6.579 -0.636 -3.219
276 1HB ALA 38 1HB ALA 38 -7.908 0.599 -1.696
277 2HB ALA 38 2HB ALA 38 -6.971 1.783 -2.608
278 3HB ALA 38 3HB ALA 38 -6.491 1.355 -0.966
279 H LEU 39 H LEU 39 -3.811 0.178 -1.287
280 HA LEU 39 HA LEU 39 -2.623 1.894 -3.258
281 1HB LEU 39 2HB LEU 39 -2.155 1.218 -0.585
282 2HB LEU 39 1HB LEU 39 -0.726 0.694 -1.448
283 HG LEU 39 HG LEU 39 -0.301 2.905 -2.260
284 1HD1 LEU 39 1HD1 LEU 39 -1.892 4.747 -1.307
285 2HD1 LEU 39 2HD1 LEU 39 -3.063 3.428 -1.312
286 3HD1 LEU 39 3HD1 LEU 39 -2.268 3.907 -2.811
287 1HD2 LEU 39 1HD2 LEU 39 -0.899 2.657 0.657
288 2HD2 LEU 39 2HD2 LEU 39 -0.304 4.180 -0.005
289 3HD2 LEU 39 3HD2 LEU 39 0.661 2.712 -0.164
290 H CYS 40 H CYS 40 -2.214 -1.460 -2.252
291 HA CYS 40 HA CYS 40 -0.063 -2.062 -3.946
292 1HB CYS 40 2HB CYS 40 -0.365 -4.282 -3.343
293 2HB CYS 40 1HB CYS 40 -1.062 -3.422 -1.978
294 H CYS 41 H CYS 41 -3.493 -1.873 -4.461
295 HA CYS 41 HA CYS 41 -3.316 -3.091 -7.087
296 1HB CYS 41 2HB CYS 41 -5.558 -3.366 -6.943
297 2HB CYS 41 1HB CYS 41 -5.211 -3.206 -5.237
298 H GLU 42 H GLU 42 -3.876 0.064 -5.643
299 HA GLU 42 HA GLU 42 -3.835 1.234 -8.356
300 1HB GLU 42 2HB GLU 42 -5.993 1.429 -7.138
301 2HB GLU 42 1HB GLU 42 -5.172 2.386 -5.913
302 1HG GLU 42 2HG GLU 42 -4.537 3.585 -8.353
303 2HG GLU 42 1HG GLU 42 -6.253 3.195 -8.442
304 H HIS 43 H HIS 43 -1.413 0.802 -6.775
305 HA HIS 43 HA HIS 43 -0.710 3.407 -5.728
306 1HB HIS 43 2HB HIS 43 1.667 2.358 -5.733
307 2HB HIS 43 1HB HIS 43 0.468 1.774 -4.589
308 HD1 HIS 43 1HD HIS 43 0.747 0.716 -8.218
309 HD2 HIS 43 2HD HIS 43 1.257 -0.794 -4.386
310 HE1 HIS 43 1HE HIS 43 1.157 -1.748 -8.522
311 HE2 HIS 43 2HE HIS 43 1.558 -2.629 -6.194
312 HA PRO 44 HA PRO 44 1.033 5.349 -9.247
313 1HB PRO 44 2HB PRO 44 3.526 5.992 -7.839
314 2HB PRO 44 1HB PRO 44 2.244 7.071 -8.393
315 1HG PRO 44 2HG PRO 44 2.652 6.569 -5.780
316 2HG PRO 44 1HG PRO 44 1.031 6.849 -6.444
317 1HD PRO 44 2HD PRO 44 2.368 4.257 -5.737
318 2HD PRO 44 1HD PRO 44 0.697 4.782 -5.429
319 H GLY 45 H GLY 45 1.370 3.472 -10.545
320 1HA GLY 45 2HA GLY 45 2.603 1.946 -11.745
321 2HA GLY 45 1HA GLY 45 3.851 3.178 -11.679
322 H GLY 46 H GLY 46 2.464 1.114 -9.131
323 1HA GLY 46 2HA GLY 46 3.461 -0.352 -7.675
324 2HA GLY 46 1HA GLY 46 4.587 -0.706 -8.975
325 H PHE 47 H PHE 47 3.922 1.940 -6.687
326 HA PHE 47 HA PHE 47 6.562 2.914 -6.622
327 1HB PHE 47 2HB PHE 47 5.826 4.143 -4.614
328 2HB PHE 47 1HB PHE 47 4.652 4.255 -5.915
329 HD1 PHE 47 1HD PHE 47 3.576 5.061 -3.546
330 HD2 PHE 47 2HD PHE 47 4.227 1.038 -4.770
331 HE1 PHE 47 1HE PHE 47 1.809 4.310 -2.016
332 HE2 PHE 47 2HE PHE 47 2.464 0.285 -3.246
333 HZ PHE 47 HZ PHE 47 1.253 1.920 -1.870
334 H GLU 48 H GLU 48 6.791 2.974 -3.610
335 HA GLU 48 HA GLU 48 7.441 0.165 -3.077
336 1HB GLU 48 2HB GLU 48 9.619 1.169 -1.995
337 2HB GLU 48 1HB GLU 48 9.568 0.745 -3.698
338 1HG GLU 48 2HG GLU 48 8.978 3.156 -4.153
339 2HG GLU 48 1HG GLU 48 9.375 3.475 -2.465
340 H TYR 49 H TYR 49 6.265 -0.272 -1.321
341 HA TYR 49 HA TYR 49 6.275 1.686 0.892
342 1HB TYR 49 2HB TYR 49 4.308 0.565 1.726
343 2HB TYR 49 1HB TYR 49 4.037 1.370 0.216
344 HD1 TYR 49 1HD TYR 49 5.143 -2.048 1.295
345 HD2 TYR 49 2HD TYR 49 2.538 0.289 -1.117
346 HE1 TYR 49 1HE TYR 49 4.069 -4.099 0.481
347 HE2 TYR 49 2HE TYR 49 1.463 -1.752 -1.946
348 HH TYR 49 HH TYR 49 1.270 -4.328 -0.733
349 H SER 50 H SER 50 6.246 0.863 2.995
350 HA SER 50 HA SER 50 7.441 -1.800 3.307
351 1HB SER 50 2HB SER 50 8.930 -0.728 5.111
352 2HB SER 50 1HB SER 50 9.382 -0.485 3.425
353 HG SER 50 HG SER 50 8.643 1.341 5.304
354 H ASN 51 H ASN 51 5.655 -2.657 4.204
355 HA ASN 51 HA ASN 51 3.886 -1.466 5.941
356 1HB ASN 51 2HB ASN 51 4.664 -4.375 6.009
357 2HB ASN 51 1HB ASN 51 3.163 -3.660 6.591
358 1HD2 ASN 51 1HD2 ASN 51 1.500 -3.689 5.264
359 2HD2 ASN 51 2HD2 ASN 51 1.570 -3.911 3.552
360 H GLY 52 H GLY 52 3.841 -0.946 7.970
361 1HA GLY 52 2HA GLY 52 4.579 -1.820 10.272
362 2HA GLY 52 1HA GLY 52 6.197 -1.591 9.627
363 HA PRO 53 HA PRO 53 4.366 2.346 11.673
364 1HB PRO 53 2HB PRO 53 5.923 2.331 13.920
365 2HB PRO 53 1HB PRO 53 4.299 1.638 13.850
366 1HG PRO 53 2HG PRO 53 6.954 0.273 13.645
367 2HG PRO 53 1HG PRO 53 5.500 -0.232 14.526
368 1HD PRO 53 2HD PRO 53 6.171 -1.299 12.143
369 2HD PRO 53 1HD PRO 53 4.479 -1.055 12.623
370 H CYS 54 H CYS 54 5.405 3.486 10.052
371 HA CYS 54 HA CYS 54 8.232 4.129 10.565
372 1HB CYS 54 2HB CYS 54 8.509 3.120 8.545
373 2HB CYS 54 1HB CYS 54 6.832 3.356 8.081
374 H GLU 55 H GLU 55 5.045 5.305 9.736
375 HA GLU 55 HA GLU 55 5.597 7.922 9.016
376 1HB GLU 55 2HB GLU 55 3.333 8.450 9.671
377 2HB GLU 55 1HB GLU 55 3.357 6.858 8.928
378 1HG GLU 55 2HG GLU 55 3.072 5.772 10.990
379 2HG GLU 55 1HG GLU 55 3.465 7.228 11.901
Start of MODEL 6
1 1H ALA 1 1H ALA 1 12.610 -0.746 -0.879
2 2H ALA 1 2H ALA 1 11.286 0.308 -0.588
3 3H ALA 1 3H ALA 1 11.390 -0.555 -2.068
4 HA ALA 1 HA ALA 1 11.406 -2.602 -0.580
5 1HB ALA 1 1HB ALA 1 11.504 -1.856 1.579
6 2HB ALA 1 2HB ALA 1 9.754 -1.969 1.378
7 3HB ALA 1 3HB ALA 1 10.559 -0.406 1.237
8 H HIS 2 H HIS 2 10.321 -2.881 -2.624
9 HA HIS 2 HA HIS 2 7.440 -2.294 -2.485
10 1HB HIS 2 2HB HIS 2 8.746 -1.136 -4.332
11 2HB HIS 2 1HB HIS 2 8.997 -2.735 -5.029
12 HD1 HIS 2 1HD HIS 2 5.855 -1.226 -3.542
13 HD2 HIS 2 2HD HIS 2 7.255 -2.817 -7.113
14 HE1 HIS 2 1HE HIS 2 3.891 -1.218 -5.085
15 HE2 HIS 2 2HE HIS 2 4.714 -2.331 -7.194
16 H MET 3 H MET 3 6.553 -4.122 -1.763
17 HA MET 3 HA MET 3 6.511 -6.399 -3.478
18 1HB MET 3 2HB MET 3 8.501 -6.378 -1.324
19 2HB MET 3 1HB MET 3 7.521 -7.835 -1.401
20 1HG MET 3 2HG MET 3 8.241 -7.342 -4.036
21 2HG MET 3 1HG MET 3 9.688 -6.971 -3.099
22 1HE MET 3 1HE MET 3 8.422 -10.829 -4.621
23 2HE MET 3 2HE MET 3 7.800 -9.210 -4.940
24 3HE MET 3 3HE MET 3 7.051 -10.213 -3.698
25 H ASP 4 H ASP 4 6.502 -6.526 0.048
26 HA ASP 4 HA ASP 4 4.370 -8.165 0.397
27 1HB ASP 4 2HB ASP 4 5.949 -7.412 2.157
28 2HB ASP 4 1HB ASP 4 5.067 -5.891 2.250
29 H CYS 5 H CYS 5 2.622 -7.717 -0.998
30 HA CYS 5 HA CYS 5 0.627 -6.070 0.200
31 1HB CYS 5 2HB CYS 5 0.139 -4.612 -1.675
32 2HB CYS 5 1HB CYS 5 1.770 -4.326 -1.092
33 H THR 6 H THR 6 -1.330 -5.945 -1.571
34 HA THR 6 HA THR 6 -2.334 -8.543 -1.709
35 HB THR 6 HB THR 6 -3.872 -7.399 -3.528
36 HG1 THR 6 1HG THR 6 -3.031 -5.523 -4.014
37 1HG2 THR 6 1HG2 THR 6 -3.984 -6.123 -0.835
38 2HG2 THR 6 2HG2 THR 6 -4.314 -7.845 -1.027
39 3HG2 THR 6 3HG2 THR 6 -5.300 -6.656 -1.879
40 H GLU 7 H GLU 7 -0.257 -6.809 -4.013
41 HA GLU 7 HA GLU 7 -0.484 -7.592 -6.442
42 1HB GLU 7 2HB GLU 7 1.811 -7.491 -4.706
43 2HB GLU 7 1HB GLU 7 2.040 -8.716 -5.944
44 1HG GLU 7 2HG GLU 7 1.558 -7.063 -7.674
45 2HG GLU 7 1HG GLU 7 1.336 -5.831 -6.433
46 H PHE 8 H PHE 8 -2.043 -9.263 -6.602
47 HA PHE 8 HA PHE 8 -0.882 -11.815 -7.176
48 1HB PHE 8 2HB PHE 8 -1.800 -11.512 -4.576
49 2HB PHE 8 1HB PHE 8 -3.150 -12.287 -5.393
50 HD1 PHE 8 1HD PHE 8 -1.804 -14.022 -7.321
51 HD2 PHE 8 2HD PHE 8 -0.826 -13.149 -3.271
52 HE1 PHE 8 1HE PHE 8 -0.667 -16.196 -7.130
53 HE2 PHE 8 2HE PHE 8 0.312 -15.321 -3.073
54 HZ PHE 8 HZ PHE 8 0.393 -16.847 -5.004
55 H ASN 9 H ASN 9 -3.563 -13.151 -7.021
56 HA ASN 9 HA ASN 9 -4.507 -12.313 -9.571
57 1HB ASN 9 2HB ASN 9 -6.158 -14.022 -7.738
58 2HB ASN 9 1HB ASN 9 -5.992 -14.106 -9.486
59 1HD2 ASN 9 1HD2 ASN 9 -3.795 -14.716 -10.274
60 2HD2 ASN 9 2HD2 ASN 9 -2.954 -15.947 -9.399
61 HA PRO 10 HA PRO 10 -8.040 -10.243 -7.210
62 1HB PRO 10 2HB PRO 10 -8.352 -10.641 -4.559
63 2HB PRO 10 1HB PRO 10 -8.869 -11.830 -5.758
64 1HG PRO 10 2HG PRO 10 -6.641 -11.956 -3.862
65 2HG PRO 10 1HG PRO 10 -7.412 -13.262 -4.773
66 1HD PRO 10 2HD PRO 10 -4.960 -11.818 -5.363
67 2HD PRO 10 1HD PRO 10 -5.613 -13.268 -6.150
68 H LEU 11 H LEU 11 -6.802 -8.331 -7.645
69 HA LEU 11 HA LEU 11 -4.911 -7.152 -6.010
70 1HB LEU 11 2HB LEU 11 -6.997 -5.675 -7.609
71 2HB LEU 11 1HB LEU 11 -5.440 -5.055 -7.097
72 HG LEU 11 HG LEU 11 -5.452 -7.483 -8.813
73 1HD1 LEU 11 1HD1 LEU 11 -6.125 -6.498 -10.723
74 2HD1 LEU 11 2HD1 LEU 11 -5.499 -4.917 -10.256
75 3HD1 LEU 11 3HD1 LEU 11 -7.048 -5.474 -9.623
76 1HD2 LEU 11 1HD2 LEU 11 -3.706 -5.150 -9.287
77 2HD2 LEU 11 2HD2 LEU 11 -3.326 -6.872 -9.279
78 3HD2 LEU 11 3HD2 LEU 11 -3.487 -5.998 -7.756
79 H CYS 12 H CYS 12 -5.330 -4.901 -4.971
80 HA CYS 12 HA CYS 12 -6.033 -4.917 -2.523
81 1HB CYS 12 2HB CYS 12 -6.900 -2.640 -2.579
82 2HB CYS 12 1HB CYS 12 -5.523 -2.828 -3.652
83 H ARG 13 H ARG 13 -7.459 -6.884 -2.783
84 HA ARG 13 HA ARG 13 -10.300 -6.305 -2.979
85 1HB ARG 13 2HB ARG 13 -8.887 -8.524 -3.582
86 2HB ARG 13 1HB ARG 13 -9.394 -8.934 -1.949
87 1HG ARG 13 2HG ARG 13 -11.744 -8.447 -2.645
88 2HG ARG 13 1HG ARG 13 -11.154 -8.278 -4.299
89 1HD ARG 13 2HD ARG 13 -10.659 -10.520 -4.493
90 2HD ARG 13 1HD ARG 13 -10.481 -10.739 -2.753
91 HE ARG 13 HE ARG 13 -12.896 -10.958 -4.292
92 1HH1 ARG 13 1HH1 ARG 13 -11.580 -10.320 -1.123
93 2HH1 ARG 13 2HH1 ARG 13 -13.025 -10.789 -0.291
94 1HH2 ARG 13 1HH2 ARG 13 -14.799 -11.575 -3.198
95 2HH2 ARG 13 2HH2 ARG 13 -14.852 -11.501 -1.468
96 H CYS 14 H CYS 14 -8.877 -4.944 -0.909
97 HA CYS 14 HA CYS 14 -10.336 -5.966 1.404
98 1HB CYS 14 2HB CYS 14 -8.534 -6.028 2.790
99 2HB CYS 14 1HB CYS 14 -7.675 -6.310 1.285
100 H ASN 15 H ASN 15 -11.773 -4.519 1.934
101 HA ASN 15 HA ASN 15 -11.472 -1.729 1.207
102 1HB ASN 15 2HB ASN 15 -13.657 -3.479 1.738
103 2HB ASN 15 1HB ASN 15 -13.762 -2.132 2.850
104 1HD2 ASN 15 1HD2 ASN 15 -12.699 -0.120 1.297
105 2HD2 ASN 15 2HD2 ASN 15 -13.768 0.205 -0.019
106 H LYS 16 H LYS 16 -12.172 -3.516 4.159
107 HA LYS 16 HA LYS 16 -12.318 -1.991 6.200
108 1HB LYS 16 2HB LYS 16 -11.736 -4.393 6.347
109 2HB LYS 16 1HB LYS 16 -10.049 -3.979 6.075
110 1HG LYS 16 2HG LYS 16 -10.662 -2.371 8.178
111 2HG LYS 16 1HG LYS 16 -11.672 -3.780 8.502
112 1HD LYS 16 2HD LYS 16 -9.661 -5.216 8.225
113 2HD LYS 16 1HD LYS 16 -8.687 -3.754 8.058
114 1HE LYS 16 2HE LYS 16 -8.678 -4.736 10.351
115 2HE LYS 16 1HE LYS 16 -9.221 -3.060 10.281
116 1HZ LYS 16 1HZ LYS 16 -11.444 -3.709 10.577
117 2HZ LYS 16 2HZ LYS 16 -10.569 -4.613 11.708
118 3HZ LYS 16 3HZ LYS 16 -11.108 -5.342 10.279
119 H MET 17 H MET 17 -11.523 -0.033 4.901
120 HA MET 17 HA MET 17 -8.813 0.718 4.874
121 1HB MET 17 2HB MET 17 -11.395 2.056 4.586
122 2HB MET 17 1HB MET 17 -10.098 3.096 5.153
123 1HG MET 17 2HG MET 17 -9.587 3.378 3.010
124 2HG MET 17 1HG MET 17 -8.917 1.749 3.082
125 1HE MET 17 1HE MET 17 -13.233 2.637 1.816
126 2HE MET 17 2HE MET 17 -12.034 3.902 1.548
127 3HE MET 17 3HE MET 17 -12.359 3.326 3.183
128 H LEU 18 H LEU 18 -8.775 -0.370 7.175
129 HA LEU 18 HA LEU 18 -7.806 1.576 8.948
130 1HB LEU 18 2HB LEU 18 -9.359 1.445 10.750
131 2HB LEU 18 1HB LEU 18 -10.264 1.854 9.306
132 HG LEU 18 HG LEU 18 -10.332 -0.959 9.499
133 1HD1 LEU 18 1HD1 LEU 18 -10.304 0.359 12.122
134 2HD1 LEU 18 2HD1 LEU 18 -10.005 -1.325 11.690
135 3HD1 LEU 18 3HD1 LEU 18 -11.659 -0.736 11.849
136 1HD2 LEU 18 1HD2 LEU 18 -12.564 0.835 10.372
137 2HD2 LEU 18 2HD2 LEU 18 -12.634 -0.666 9.447
138 3HD2 LEU 18 3HD2 LEU 18 -12.032 0.809 8.691
139 H GLY 19 H GLY 19 -6.389 -0.344 8.032
140 1HA GLY 19 2HA GLY 19 -6.320 -2.387 10.167
141 2HA GLY 19 1HA GLY 19 -6.025 -2.794 8.486
142 H ASP 20 H ASP 20 -3.980 -3.204 8.135
143 HA ASP 20 HA ASP 20 -1.859 -2.748 9.794
144 1HB ASP 20 2HB ASP 20 -1.638 -2.837 6.788
145 2HB ASP 20 1HB ASP 20 -0.433 -3.329 7.968
146 H LEU 21 H LEU 21 0.192 -1.593 8.834
147 HA LEU 21 HA LEU 21 -0.457 1.231 8.258
148 1HB LEU 21 2HB LEU 21 0.177 0.535 10.717
149 2HB LEU 21 1HB LEU 21 1.804 0.462 10.071
150 HG LEU 21 HG LEU 21 0.043 2.894 9.980
151 1HD1 LEU 21 1HD1 LEU 21 2.268 2.147 11.851
152 2HD1 LEU 21 2HD1 LEU 21 0.579 2.439 12.262
153 3HD1 LEU 21 3HD1 LEU 21 1.594 3.770 11.707
154 1HD2 LEU 21 1HD2 LEU 21 2.620 3.722 9.697
155 2HD2 LEU 21 2HD2 LEU 21 1.480 3.483 8.373
156 3HD2 LEU 21 3HD2 LEU 21 2.618 2.205 8.798
157 H ILE 22 H ILE 22 0.273 1.323 6.189
158 HA ILE 22 HA ILE 22 2.927 0.229 5.624
159 HB ILE 22 HB ILE 22 1.350 -0.601 4.090
160 1HG1 ILE 22 2HG1 ILE 22 3.524 0.787 3.275
161 2HG1 ILE 22 1HG1 ILE 22 2.521 -0.196 2.213
162 1HG2 ILE 22 1HG2 ILE 22 0.357 2.208 3.956
163 2HG2 ILE 22 2HG2 ILE 22 -0.534 0.727 4.311
164 3HG2 ILE 22 3HG2 ILE 22 0.012 1.056 2.666
165 1HD1 ILE 22 1HD1 ILE 22 1.863 2.681 2.650
166 2HD1 ILE 22 2HD1 ILE 22 1.499 1.644 1.272
167 3HD1 ILE 22 3HD1 ILE 22 3.142 2.219 1.535
168 H CYS 23 H CYS 23 4.598 1.461 5.008
169 HA CYS 23 HA CYS 23 4.177 4.372 4.951
170 1HB CYS 23 2HB CYS 23 6.809 2.907 5.231
171 2HB CYS 23 1HB CYS 23 6.521 4.624 5.482
172 H ALA 24 H ALA 24 3.422 4.406 2.805
173 HA ALA 24 HA ALA 24 4.992 3.215 0.731
174 1HB ALA 24 1HB ALA 24 3.169 3.493 -0.523
175 2HB ALA 24 2HB ALA 24 3.103 5.223 -0.189
176 3HB ALA 24 3HB ALA 24 2.377 4.079 0.939
177 H VAL 25 H VAL 25 6.280 4.141 -0.742
178 HA VAL 25 HA VAL 25 6.900 7.005 -0.524
179 HB VAL 25 HB VAL 25 9.042 4.880 -0.662
180 1HG1 VAL 25 1HG1 VAL 25 9.179 7.852 -0.167
181 2HG1 VAL 25 2HG1 VAL 25 9.635 7.027 -1.657
182 3HG1 VAL 25 3HG1 VAL 25 10.549 6.742 -0.176
183 1HG2 VAL 25 1HG2 VAL 25 8.134 4.629 1.499
184 2HG2 VAL 25 2HG2 VAL 25 7.929 6.369 1.701
185 3HG2 VAL 25 3HG2 VAL 25 9.546 5.666 1.703
186 H ILE 26 H ILE 26 7.500 7.970 -2.326
187 HA ILE 26 HA ILE 26 7.684 6.397 -4.804
188 HB ILE 26 HB ILE 26 6.791 8.866 -5.640
189 1HG1 ILE 26 2HG1 ILE 26 6.224 9.244 -3.164
190 2HG1 ILE 26 1HG1 ILE 26 4.973 9.587 -4.350
191 1HG2 ILE 26 1HG2 ILE 26 5.719 6.150 -5.446
192 2HG2 ILE 26 2HG2 ILE 26 5.820 7.239 -6.828
193 3HG2 ILE 26 3HG2 ILE 26 4.506 7.410 -5.662
194 1HD1 ILE 26 1HD1 ILE 26 5.114 6.943 -2.950
195 2HD1 ILE 26 2HD1 ILE 26 3.745 7.693 -3.770
196 3HD1 ILE 26 3HD1 ILE 26 4.310 8.336 -2.229
197 H GLY 27 H GLY 27 8.453 8.142 -6.551
198 1HA GLY 27 2HA GLY 27 11.093 8.477 -6.463
199 2HA GLY 27 1HA GLY 27 10.070 9.687 -7.222
200 H ASP 28 H ASP 28 8.824 10.545 -4.744
201 HA ASP 28 HA ASP 28 10.859 11.374 -2.934
202 1HB ASP 28 2HB ASP 28 10.912 12.871 -5.158
203 2HB ASP 28 1HB ASP 28 9.659 13.737 -4.274
204 H ALA 29 H ALA 29 8.119 10.148 -2.936
205 HA ALA 29 HA ALA 29 6.944 12.081 -1.043
206 1HB ALA 29 1HB ALA 29 5.850 11.426 -3.539
207 2HB ALA 29 2HB ALA 29 5.102 12.351 -2.238
208 3HB ALA 29 3HB ALA 29 4.858 10.608 -2.332
209 H LYS 30 H LYS 30 7.280 11.074 0.847
210 HA LYS 30 HA LYS 30 6.603 8.222 1.052
211 1HB LYS 30 2HB LYS 30 7.812 8.493 3.322
212 2HB LYS 30 1HB LYS 30 8.777 8.459 1.852
213 1HG LYS 30 2HG LYS 30 7.881 11.101 2.863
214 2HG LYS 30 1HG LYS 30 9.163 10.263 3.740
215 1HD LYS 30 2HD LYS 30 9.237 10.696 0.763
216 2HD LYS 30 1HD LYS 30 9.904 11.857 1.912
217 1HE LYS 30 2HE LYS 30 10.780 9.038 1.364
218 2HE LYS 30 1HE LYS 30 11.727 10.524 1.271
219 1HZ LYS 30 1HZ LYS 30 12.438 9.676 3.251
220 2HZ LYS 30 2HZ LYS 30 10.952 8.959 3.627
221 3HZ LYS 30 3HZ LYS 30 11.152 10.630 3.800
222 H GLU 31 H GLU 31 4.497 8.051 1.524
223 HA GLU 31 HA GLU 31 3.490 9.591 3.826
224 1HB GLU 31 2HB GLU 31 1.768 8.619 1.551
225 2HB GLU 31 1HB GLU 31 1.342 9.758 2.821
226 1HG GLU 31 2HG GLU 31 1.790 11.337 1.326
227 2HG GLU 31 1HG GLU 31 3.487 10.975 1.638
228 H GLU 32 H GLU 32 1.438 8.476 4.734
229 HA GLU 32 HA GLU 32 2.069 5.616 5.021
230 1HB GLU 32 2HB GLU 32 0.803 7.577 6.927
231 2HB GLU 32 1HB GLU 32 0.763 5.839 7.190
232 1HG GLU 32 2HG GLU 32 3.162 7.637 7.104
233 2HG GLU 32 1HG GLU 32 2.559 6.686 8.462
234 H HIS 33 H HIS 33 0.268 4.167 5.451
235 HA HIS 33 HA HIS 33 -2.392 5.027 4.742
236 1HB HIS 33 2HB HIS 33 -1.210 2.932 2.940
237 2HB HIS 33 1HB HIS 33 -2.703 3.834 2.740
238 HD1 HIS 33 1HD HIS 33 1.044 4.442 2.656
239 HD2 HIS 33 2HD HIS 33 -2.484 5.957 1.084
240 HE1 HIS 33 1HE HIS 33 1.743 6.143 0.949
241 HE2 HIS 33 2HE HIS 33 -0.404 6.974 -0.061
242 H ARG 34 H ARG 34 -3.982 3.495 5.200
243 HA ARG 34 HA ARG 34 -3.069 1.326 6.933
244 1HB ARG 34 2HB ARG 34 -5.919 2.197 6.498
245 2HB ARG 34 1HB ARG 34 -5.265 1.265 7.838
246 1HG ARG 34 2HG ARG 34 -3.849 3.681 7.826
247 2HG ARG 34 1HG ARG 34 -5.541 4.105 7.558
248 1HD ARG 34 2HD ARG 34 -5.397 4.094 9.863
249 2HD ARG 34 1HD ARG 34 -5.997 2.472 9.521
250 HE ARG 34 HE ARG 34 -3.380 2.026 9.599
251 1HH1 ARG 34 1HH1 ARG 34 -5.416 3.863 11.765
252 2HH1 ARG 34 2HH1 ARG 34 -4.406 3.588 13.143
253 1HH2 ARG 34 1HH2 ARG 34 -2.054 1.669 11.414
254 2HH2 ARG 34 2HH2 ARG 34 -2.499 2.346 12.946
255 H ASN 35 H ASN 35 -5.266 1.897 4.202
256 HA ASN 35 HA ASN 35 -5.641 -0.926 3.755
257 1HB ASN 35 2HB ASN 35 -6.960 1.454 2.951
258 2HB ASN 35 1HB ASN 35 -6.442 0.633 1.486
259 1HD2 ASN 35 1HD2 ASN 35 -7.356 -0.850 4.551
260 2HD2 ASN 35 2HD2 ASN 35 -8.741 -1.681 3.937
261 H MET 36 H MET 36 -3.179 -1.018 3.736
262 HA MET 36 HA MET 36 -1.550 -0.145 1.727
263 1HB MET 36 2HB MET 36 -0.120 -1.383 2.908
264 2HB MET 36 1HB MET 36 -1.468 -2.102 3.772
265 1HG MET 36 2HG MET 36 -1.626 -3.767 1.875
266 2HG MET 36 1HG MET 36 -0.074 -3.137 1.322
267 1HE MET 36 1HE MET 36 -0.587 -6.041 1.800
268 2HE MET 36 2HE MET 36 -1.545 -6.055 3.281
269 3HE MET 36 3HE MET 36 0.072 -6.758 3.270
270 H CYS 37 H CYS 37 -4.122 -2.439 1.498
271 HA CYS 37 HA CYS 37 -3.288 -3.789 -0.841
272 1HB CYS 37 2HB CYS 37 -6.189 -3.308 -0.278
273 2HB CYS 37 1HB CYS 37 -5.405 -4.751 -0.900
274 H ALA 38 H ALA 38 -5.818 -1.329 -0.486
275 HA ALA 38 HA ALA 38 -6.245 -0.746 -3.136
276 1HB ALA 38 1HB ALA 38 -7.477 1.028 -2.422
277 2HB ALA 38 2HB ALA 38 -6.260 1.546 -1.255
278 3HB ALA 38 3HB ALA 38 -7.307 0.175 -0.887
279 H LEU 39 H LEU 39 -3.519 0.128 -1.175
280 HA LEU 39 HA LEU 39 -2.604 2.221 -2.908
281 1HB LEU 39 2HB LEU 39 -1.897 1.169 -0.367
282 2HB LEU 39 1HB LEU 39 -0.467 1.097 -1.372
283 HG LEU 39 HG LEU 39 -1.874 3.435 -0.243
284 1HD1 LEU 39 1HD1 LEU 39 0.141 3.141 0.768
285 2HD1 LEU 39 2HD1 LEU 39 0.642 4.195 -0.554
286 3HD1 LEU 39 3HD1 LEU 39 0.893 2.454 -0.670
287 1HD2 LEU 39 1HD2 LEU 39 -0.917 3.330 -3.059
288 2HD2 LEU 39 2HD2 LEU 39 -0.574 4.778 -2.113
289 3HD2 LEU 39 3HD2 LEU 39 -2.241 4.253 -2.347
290 H CYS 40 H CYS 40 -1.684 -1.140 -2.328
291 HA CYS 40 HA CYS 40 0.378 -1.222 -4.251
292 1HB CYS 40 2HB CYS 40 0.298 -2.904 -2.533
293 2HB CYS 40 1HB CYS 40 -1.302 -3.430 -3.051
294 H CYS 41 H CYS 41 -3.084 -1.546 -4.473
295 HA CYS 41 HA CYS 41 -2.931 -2.546 -7.193
296 1HB CYS 41 2HB CYS 41 -5.090 -3.164 -6.942
297 2HB CYS 41 1HB CYS 41 -4.676 -3.058 -5.247
298 H GLU 42 H GLU 42 -3.790 0.376 -5.457
299 HA GLU 42 HA GLU 42 -4.229 1.741 -8.034
300 1HB GLU 42 2HB GLU 42 -5.948 1.670 -6.015
301 2HB GLU 42 1HB GLU 42 -4.988 3.037 -5.467
302 1HG GLU 42 2HG GLU 42 -5.648 4.378 -7.197
303 2HG GLU 42 1HG GLU 42 -5.965 3.019 -8.275
304 H HIS 43 H HIS 43 -1.547 1.279 -6.875
305 HA HIS 43 HA HIS 43 -0.685 3.856 -5.895
306 1HB HIS 43 2HB HIS 43 1.642 2.816 -6.251
307 2HB HIS 43 1HB HIS 43 0.606 2.098 -5.026
308 HD1 HIS 43 1HD HIS 43 -0.102 1.274 -8.575
309 HD2 HIS 43 2HD HIS 43 1.991 -0.346 -5.373
310 HE1 HIS 43 1HE HIS 43 0.448 -1.084 -9.257
311 HE2 HIS 43 2HE HIS 43 1.805 -2.009 -7.347
312 HA PRO 44 HA PRO 44 0.413 6.049 -9.541
313 1HB PRO 44 2HB PRO 44 3.263 6.055 -8.683
314 2HB PRO 44 1HB PRO 44 2.209 7.411 -9.098
315 1HG PRO 44 2HG PRO 44 2.822 6.914 -6.562
316 2HG PRO 44 1HG PRO 44 1.184 7.421 -7.013
317 1HD PRO 44 2HD PRO 44 2.199 4.696 -6.314
318 2HD PRO 44 1HD PRO 44 0.655 5.465 -5.894
319 H GLY 45 H GLY 45 2.621 3.419 -8.700
320 1HA GLY 45 2HA GLY 45 2.407 2.050 -11.097
321 2HA GLY 45 1HA GLY 45 3.759 3.155 -11.294
322 H GLY 46 H GLY 46 2.558 1.022 -8.700
323 1HA GLY 46 2HA GLY 46 3.648 -0.519 -7.392
324 2HA GLY 46 1HA GLY 46 4.654 -0.823 -8.800
325 H PHE 47 H PHE 47 4.287 2.043 -6.738
326 HA PHE 47 HA PHE 47 7.028 2.645 -6.720
327 1HB PHE 47 2HB PHE 47 6.405 4.118 -4.753
328 2HB PHE 47 1HB PHE 47 5.494 4.392 -6.228
329 HD1 PHE 47 1HD PHE 47 4.473 1.393 -4.582
330 HD2 PHE 47 2HD PHE 47 4.003 5.625 -4.556
331 HE1 PHE 47 1HE PHE 47 2.379 1.149 -3.325
332 HE2 PHE 47 2HE PHE 47 1.904 5.383 -3.298
333 HZ PHE 47 HZ PHE 47 1.090 3.143 -2.678
334 H GLU 48 H GLU 48 6.261 2.712 -3.451
335 HA GLU 48 HA GLU 48 6.960 -0.009 -2.794
336 1HB GLU 48 2HB GLU 48 9.089 0.453 -1.763
337 2HB GLU 48 1HB GLU 48 9.151 0.921 -3.456
338 1HG GLU 48 2HG GLU 48 8.770 3.275 -2.756
339 2HG GLU 48 1HG GLU 48 8.891 2.748 -1.078
340 H TYR 49 H TYR 49 7.265 -0.234 -0.432
341 HA TYR 49 HA TYR 49 6.204 1.843 1.289
342 1HB TYR 49 2HB TYR 49 4.441 0.260 2.114
343 2HB TYR 49 1HB TYR 49 4.120 1.091 0.601
344 HD1 TYR 49 1HD TYR 49 5.537 -2.066 1.920
345 HD2 TYR 49 2HD TYR 49 3.395 -0.144 -1.203
346 HE1 TYR 49 1HE TYR 49 5.152 -4.241 0.877
347 HE2 TYR 49 2HE TYR 49 2.998 -2.308 -2.261
348 HH TYR 49 HH TYR 49 4.125 -4.567 -2.293
349 H SER 50 H SER 50 6.194 1.211 3.482
350 HA SER 50 HA SER 50 7.727 -1.202 4.106
351 1HB SER 50 2HB SER 50 8.968 0.381 5.819
352 2HB SER 50 1HB SER 50 9.549 0.182 4.168
353 HG SER 50 HG SER 50 9.076 2.190 3.767
354 H ASN 51 H ASN 51 6.033 -2.150 5.077
355 HA ASN 51 HA ASN 51 4.040 -1.088 6.557
356 1HB ASN 51 2HB ASN 51 5.370 -3.694 7.287
357 2HB ASN 51 1HB ASN 51 3.698 -3.219 7.580
358 1HD2 ASN 51 1HD2 ASN 51 2.212 -3.524 6.023
359 2HD2 ASN 51 2HD2 ASN 51 2.546 -4.203 4.471
360 H GLY 52 H GLY 52 3.730 -0.300 8.579
361 1HA GLY 52 2HA GLY 52 4.497 -0.547 10.979
362 2HA GLY 52 1HA GLY 52 6.099 -0.193 10.352
363 HA PRO 53 HA PRO 53 3.541 3.732 11.417
364 1HB PRO 53 2HB PRO 53 4.577 4.326 13.856
365 2HB PRO 53 1HB PRO 53 3.119 3.350 13.638
366 1HG PRO 53 2HG PRO 53 5.936 2.459 14.137
367 2HG PRO 53 1HG PRO 53 4.431 1.872 14.869
368 1HD PRO 53 2HD PRO 53 5.660 0.544 12.868
369 2HD PRO 53 1HD PRO 53 3.892 0.575 13.033
370 H CYS 54 H CYS 54 4.485 5.198 10.174
371 HA CYS 54 HA CYS 54 7.269 5.974 10.764
372 1HB CYS 54 2HB CYS 54 5.871 6.062 8.082
373 2HB CYS 54 1HB CYS 54 7.509 6.611 8.396
374 H GLU 55 H GLU 55 4.150 7.061 9.482
375 HA GLU 55 HA GLU 55 4.758 9.843 9.682
376 1HB GLU 55 2HB GLU 55 3.123 9.090 8.065
377 2HB GLU 55 1HB GLU 55 2.137 8.373 9.329
378 1HG GLU 55 2HG GLU 55 0.998 10.261 9.448
379 2HG GLU 55 1HG GLU 55 2.452 11.071 10.026
Start of MODEL 7
1 1H ALA 1 1H ALA 1 12.897 -0.665 -4.468
2 2H ALA 1 2H ALA 1 12.867 0.573 -5.656
3 3H ALA 1 3H ALA 1 12.586 -1.060 -6.106
4 HA ALA 1 HA ALA 1 10.865 0.826 -4.704
5 1HB ALA 1 1HB ALA 1 10.335 -1.217 -6.858
6 2HB ALA 1 2HB ALA 1 10.690 0.487 -7.144
7 3HB ALA 1 3HB ALA 1 9.223 0.025 -6.281
8 H HIS 2 H HIS 2 9.395 0.192 -3.219
9 HA HIS 2 HA HIS 2 9.571 -2.590 -2.294
10 1HB HIS 2 2HB HIS 2 8.511 -0.214 -0.761
11 2HB HIS 2 1HB HIS 2 8.896 -1.808 -0.121
12 HD1 HIS 2 1HD HIS 2 10.146 1.088 0.671
13 HD2 HIS 2 2HD HIS 2 11.945 -1.955 -1.514
14 HE1 HIS 2 1HE HIS 2 12.621 1.460 0.913
15 HE2 HIS 2 2HE HIS 2 13.688 -0.455 -0.329
16 H MET 3 H MET 3 8.093 -2.605 -4.364
17 HA MET 3 HA MET 3 5.327 -1.963 -3.869
18 1HB MET 3 2HB MET 3 4.989 -3.113 -6.095
19 2HB MET 3 1HB MET 3 6.039 -1.703 -6.111
20 1HG MET 3 2HG MET 3 7.983 -3.036 -6.284
21 2HG MET 3 1HG MET 3 7.088 -4.510 -5.920
22 1HE MET 3 1HE MET 3 9.107 -4.269 -8.085
23 2HE MET 3 2HE MET 3 8.768 -2.740 -8.896
24 3HE MET 3 3HE MET 3 8.507 -4.265 -9.743
25 H ASP 4 H ASP 4 3.601 -3.512 -4.032
26 HA ASP 4 HA ASP 4 3.841 -6.286 -3.899
27 1HB ASP 4 2HB ASP 4 4.238 -4.875 -1.329
28 2HB ASP 4 1HB ASP 4 3.061 -6.184 -1.282
29 H CYS 5 H CYS 5 2.151 -5.087 -5.348
30 HA CYS 5 HA CYS 5 -0.268 -4.258 -4.062
31 1HB CYS 5 2HB CYS 5 -0.032 -4.953 -6.977
32 2HB CYS 5 1HB CYS 5 -1.071 -3.756 -6.212
33 H THR 6 H THR 6 -2.398 -5.127 -4.823
34 HA THR 6 HA THR 6 -2.731 -7.779 -3.913
35 HB THR 6 HB THR 6 -4.802 -6.663 -5.717
36 HG1 THR 6 1HG THR 6 -3.845 -5.280 -3.449
37 1HG2 THR 6 1HG2 THR 6 -4.911 -7.487 -2.828
38 2HG2 THR 6 2HG2 THR 6 -5.223 -8.555 -4.197
39 3HG2 THR 6 3HG2 THR 6 -6.278 -7.174 -3.897
40 H GLU 7 H GLU 7 -1.543 -6.667 -6.991
41 HA GLU 7 HA GLU 7 -2.407 -7.845 -9.083
42 1HB GLU 7 2HB GLU 7 -0.180 -8.665 -9.722
43 2HB GLU 7 1HB GLU 7 -0.107 -7.084 -8.957
44 1HG GLU 7 2HG GLU 7 0.184 -8.911 -6.874
45 2HG GLU 7 1HG GLU 7 1.155 -9.555 -8.197
46 H PHE 8 H PHE 8 -4.029 -9.312 -8.444
47 HA PHE 8 HA PHE 8 -3.280 -12.058 -8.776
48 1HB PHE 8 2HB PHE 8 -4.492 -11.124 -6.161
49 2HB PHE 8 1HB PHE 8 -4.472 -12.805 -6.682
50 HD1 PHE 8 1HD PHE 8 -2.923 -10.611 -4.579
51 HD2 PHE 8 2HD PHE 8 -1.967 -13.498 -7.556
52 HE1 PHE 8 1HE PHE 8 -0.694 -10.897 -3.579
53 HE2 PHE 8 2HE PHE 8 0.263 -13.791 -6.560
54 HZ PHE 8 HZ PHE 8 0.902 -12.490 -4.569
55 H ASN 9 H ASN 9 -5.980 -12.770 -7.510
56 HA ASN 9 HA ASN 9 -7.507 -12.421 -9.879
57 1HB ASN 9 2HB ASN 9 -7.769 -13.872 -7.375
58 2HB ASN 9 1HB ASN 9 -9.299 -13.150 -7.864
59 1HD2 ASN 9 1HD2 ASN 9 -7.327 -15.786 -8.171
60 2HD2 ASN 9 2HD2 ASN 9 -8.003 -16.474 -9.605
61 HA PRO 10 HA PRO 10 -9.851 -9.067 -7.534
62 1HB PRO 10 2HB PRO 10 -9.949 -9.002 -4.891
63 2HB PRO 10 1HB PRO 10 -10.690 -10.345 -5.770
64 1HG PRO 10 2HG PRO 10 -8.181 -10.283 -4.188
65 2HG PRO 10 1HG PRO 10 -9.287 -11.634 -4.491
66 1HD PRO 10 2HD PRO 10 -6.844 -10.990 -5.876
67 2HD PRO 10 1HD PRO 10 -7.947 -12.347 -6.172
68 H LEU 11 H LEU 11 -8.589 -7.322 -8.269
69 HA LEU 11 HA LEU 11 -6.232 -6.398 -6.958
70 1HB LEU 11 2HB LEU 11 -8.046 -5.365 -9.076
71 2HB LEU 11 1HB LEU 11 -7.022 -4.203 -8.254
72 HG LEU 11 HG LEU 11 -5.914 -4.897 -10.260
73 1HD1 LEU 11 1HD1 LEU 11 -4.703 -4.805 -7.921
74 2HD1 LEU 11 2HD1 LEU 11 -3.847 -5.302 -9.380
75 3HD1 LEU 11 3HD1 LEU 11 -4.441 -6.518 -8.250
76 1HD2 LEU 11 1HD2 LEU 11 -6.657 -6.895 -11.013
77 2HD2 LEU 11 2HD2 LEU 11 -6.806 -7.575 -9.393
78 3HD2 LEU 11 3HD2 LEU 11 -5.224 -7.486 -10.169
79 H CYS 12 H CYS 12 -6.322 -3.871 -6.342
80 HA CYS 12 HA CYS 12 -6.893 -3.352 -3.907
81 1HB CYS 12 2HB CYS 12 -7.913 -1.098 -4.515
82 2HB CYS 12 1HB CYS 12 -6.346 -1.481 -5.208
83 H ARG 13 H ARG 13 -8.531 -5.272 -3.794
84 HA ARG 13 HA ARG 13 -11.255 -4.150 -3.568
85 1HB ARG 13 2HB ARG 13 -10.257 -6.739 -4.495
86 2HB ARG 13 1HB ARG 13 -11.513 -6.897 -3.279
87 1HG ARG 13 2HG ARG 13 -12.465 -6.926 -5.502
88 2HG ARG 13 1HG ARG 13 -12.996 -5.494 -4.619
89 1HD ARG 13 2HD ARG 13 -11.453 -4.107 -5.811
90 2HD ARG 13 1HD ARG 13 -10.692 -5.510 -6.559
91 HE ARG 13 HE ARG 13 -13.129 -4.216 -7.375
92 1HH1 ARG 13 1HH1 ARG 13 -11.275 -7.171 -7.476
93 2HH1 ARG 13 2HH1 ARG 13 -12.025 -7.739 -8.929
94 1HH2 ARG 13 1HH2 ARG 13 -14.117 -4.963 -9.287
95 2HH2 ARG 13 2HH2 ARG 13 -13.638 -6.486 -9.958
96 H CYS 14 H CYS 14 -9.533 -3.448 -1.626
97 HA CYS 14 HA CYS 14 -10.512 -4.979 0.677
98 1HB CYS 14 2HB CYS 14 -8.089 -4.260 1.610
99 2HB CYS 14 1HB CYS 14 -8.400 -5.807 0.830
100 H ASN 15 H ASN 15 -11.926 -3.486 1.443
101 HA ASN 15 HA ASN 15 -11.153 -0.689 1.652
102 1HB ASN 15 2HB ASN 15 -13.618 -2.105 1.503
103 2HB ASN 15 1HB ASN 15 -13.603 -1.216 3.015
104 1HD2 ASN 15 1HD2 ASN 15 -12.265 1.033 2.427
105 2HD2 ASN 15 2HD2 ASN 15 -13.102 1.945 1.223
106 H LYS 16 H LYS 16 -12.054 -3.350 3.759
107 HA LYS 16 HA LYS 16 -12.210 -2.694 6.228
108 1HB LYS 16 2HB LYS 16 -11.594 -4.978 5.331
109 2HB LYS 16 1HB LYS 16 -9.911 -4.498 5.495
110 1HG LYS 16 2HG LYS 16 -10.310 -5.669 7.445
111 2HG LYS 16 1HG LYS 16 -10.524 -3.991 7.944
112 1HD LYS 16 2HD LYS 16 -12.295 -5.425 8.840
113 2HD LYS 16 1HD LYS 16 -12.943 -4.221 7.725
114 1HE LYS 16 2HE LYS 16 -13.824 -6.601 7.508
115 2HE LYS 16 1HE LYS 16 -13.279 -5.806 6.032
116 1HZ LYS 16 1HZ LYS 16 -12.535 -8.215 6.538
117 2HZ LYS 16 2HZ LYS 16 -11.406 -7.482 7.562
118 3HZ LYS 16 3HZ LYS 16 -11.410 -7.117 5.911
119 H MET 17 H MET 17 -11.289 -0.386 5.689
120 HA MET 17 HA MET 17 -8.550 0.132 6.037
121 1HB MET 17 2HB MET 17 -9.400 2.417 6.848
122 2HB MET 17 1HB MET 17 -9.701 1.923 5.188
123 1HG MET 17 2HG MET 17 -11.897 2.083 5.457
124 2HG MET 17 1HG MET 17 -11.849 1.081 6.907
125 1HE MET 17 1HE MET 17 -11.368 5.523 6.438
126 2HE MET 17 2HE MET 17 -10.414 4.247 5.683
127 3HE MET 17 3HE MET 17 -9.938 4.891 7.255
128 H LEU 18 H LEU 18 -8.150 -1.404 7.715
129 HA LEU 18 HA LEU 18 -7.661 -0.159 10.189
130 1HB LEU 18 2HB LEU 18 -9.018 -1.621 11.624
131 2HB LEU 18 1HB LEU 18 -9.997 -0.574 10.615
132 HG LEU 18 HG LEU 18 -9.511 -3.170 9.383
133 1HD1 LEU 18 1HD1 LEU 18 -9.551 -3.718 11.861
134 2HD1 LEU 18 2HD1 LEU 18 -10.727 -4.550 10.845
135 3HD1 LEU 18 3HD1 LEU 18 -11.232 -3.187 11.843
136 1HD2 LEU 18 1HD2 LEU 18 -11.943 -1.527 10.059
137 2HD2 LEU 18 2HD2 LEU 18 -12.004 -3.060 9.190
138 3HD2 LEU 18 3HD2 LEU 18 -11.151 -1.684 8.492
139 H GLY 19 H GLY 19 -5.801 -1.117 8.740
140 1HA GLY 19 2HA GLY 19 -5.187 -3.793 9.837
141 2HA GLY 19 1HA GLY 19 -4.759 -3.330 8.199
142 H ASP 20 H ASP 20 -2.590 -3.639 8.416
143 HA ASP 20 HA ASP 20 -1.002 -2.758 10.554
144 1HB ASP 20 2HB ASP 20 -0.120 -3.188 7.702
145 2HB ASP 20 1HB ASP 20 0.871 -3.282 9.149
146 H LEU 21 H LEU 21 1.036 -1.387 9.827
147 HA LEU 21 HA LEU 21 0.040 1.206 8.838
148 1HB LEU 21 2HB LEU 21 0.394 1.459 11.172
149 2HB LEU 21 1HB LEU 21 1.902 0.568 11.117
150 HG LEU 21 HG LEU 21 3.030 2.386 10.038
151 1HD1 LEU 21 1HD1 LEU 21 0.282 3.295 9.500
152 2HD1 LEU 21 2HD1 LEU 21 1.749 3.467 8.536
153 3HD1 LEU 21 3HD1 LEU 21 1.451 4.558 9.889
154 1HD2 LEU 21 1HD2 LEU 21 1.308 3.558 12.213
155 2HD2 LEU 21 2HD2 LEU 21 2.933 4.058 11.743
156 3HD2 LEU 21 3HD2 LEU 21 2.678 2.487 12.503
157 H ILE 22 H ILE 22 0.762 1.024 6.781
158 HA ILE 22 HA ILE 22 3.492 0.222 6.220
159 HB ILE 22 HB ILE 22 2.040 -0.620 4.604
160 1HG1 ILE 22 2HG1 ILE 22 3.972 0.946 3.727
161 2HG1 ILE 22 1HG1 ILE 22 2.840 0.158 2.635
162 1HG2 ILE 22 1HG2 ILE 22 0.024 0.485 5.096
163 2HG2 ILE 22 2HG2 ILE 22 0.384 0.847 3.409
164 3HG2 ILE 22 3HG2 ILE 22 0.702 2.051 4.652
165 1HD1 ILE 22 1HD1 ILE 22 3.357 2.657 2.312
166 2HD1 ILE 22 2HD1 ILE 22 2.266 2.903 3.667
167 3HD1 ILE 22 3HD1 ILE 22 1.691 2.114 2.200
168 H CYS 23 H CYS 23 4.994 1.508 5.086
169 HA CYS 23 HA CYS 23 4.531 4.414 5.355
170 1HB CYS 23 2HB CYS 23 7.250 4.236 5.258
171 2HB CYS 23 1HB CYS 23 6.315 4.348 6.741
172 H ALA 24 H ALA 24 3.706 4.619 3.302
173 HA ALA 24 HA ALA 24 5.065 3.553 1.024
174 1HB ALA 24 1HB ALA 24 3.306 5.231 -0.083
175 2HB ALA 24 2HB ALA 24 2.580 5.064 1.517
176 3HB ALA 24 3HB ALA 24 2.865 3.635 0.525
177 H VAL 25 H VAL 25 5.888 4.728 -0.715
178 HA VAL 25 HA VAL 25 6.641 7.510 -0.289
179 HB VAL 25 HB VAL 25 8.740 5.452 -0.971
180 1HG1 VAL 25 1HG1 VAL 25 10.121 7.556 -0.130
181 2HG1 VAL 25 2HG1 VAL 25 8.678 8.404 -0.686
182 3HG1 VAL 25 3HG1 VAL 25 9.591 7.391 -1.805
183 1HG2 VAL 25 1HG2 VAL 25 7.906 6.591 1.664
184 2HG2 VAL 25 2HG2 VAL 25 9.594 6.166 1.381
185 3HG2 VAL 25 3HG2 VAL 25 8.340 4.933 1.246
186 H ILE 26 H ILE 26 7.136 8.620 -2.167
187 HA ILE 26 HA ILE 26 6.993 7.169 -4.704
188 HB ILE 26 HB ILE 26 5.514 9.466 -5.217
189 1HG1 ILE 26 2HG1 ILE 26 5.181 9.550 -2.691
190 2HG1 ILE 26 1HG1 ILE 26 3.719 9.565 -3.671
191 1HG2 ILE 26 1HG2 ILE 26 4.805 6.565 -4.967
192 2HG2 ILE 26 2HG2 ILE 26 5.092 7.517 -6.424
193 3HG2 ILE 26 3HG2 ILE 26 3.625 7.771 -5.481
194 1HD1 ILE 26 1HD1 ILE 26 4.536 7.720 -1.630
195 2HD1 ILE 26 2HD1 ILE 26 4.222 6.872 -3.143
196 3HD1 ILE 26 3HD1 ILE 26 2.975 7.894 -2.430
197 H GLY 27 H GLY 27 9.176 7.706 -4.902
198 1HA GLY 27 2HA GLY 27 10.884 8.919 -5.850
199 2HA GLY 27 1HA GLY 27 9.697 10.150 -6.258
200 H ASP 28 H ASP 28 8.800 11.163 -4.078
201 HA ASP 28 HA ASP 28 10.842 11.613 -2.094
202 1HB ASP 28 2HB ASP 28 10.939 14.047 -2.435
203 2HB ASP 28 1HB ASP 28 11.533 13.181 -3.848
204 H ALA 29 H ALA 29 8.002 10.674 -2.395
205 HA ALA 29 HA ALA 29 6.823 12.518 -0.415
206 1HB ALA 29 1HB ALA 29 5.336 12.962 -2.054
207 2HB ALA 29 2HB ALA 29 4.615 11.443 -1.521
208 3HB ALA 29 3HB ALA 29 5.684 11.468 -2.923
209 H LYS 30 H LYS 30 7.740 11.124 1.198
210 HA LYS 30 HA LYS 30 6.604 8.440 1.338
211 1HB LYS 30 2HB LYS 30 8.185 8.208 3.310
212 2HB LYS 30 1HB LYS 30 8.932 8.412 1.732
213 1HG LYS 30 2HG LYS 30 9.577 10.608 2.188
214 2HG LYS 30 1HG LYS 30 8.456 10.750 3.543
215 1HD LYS 30 2HD LYS 30 10.763 10.520 4.319
216 2HD LYS 30 1HD LYS 30 9.780 9.142 4.817
217 1HE LYS 30 2HE LYS 30 11.195 8.889 2.235
218 2HE LYS 30 1HE LYS 30 12.201 8.899 3.684
219 1HZ LYS 30 1HZ LYS 30 11.071 6.708 2.697
220 2HZ LYS 30 2HZ LYS 30 9.859 7.183 3.777
221 3HZ LYS 30 3HZ LYS 30 11.429 6.905 4.339
222 H GLU 31 H GLU 31 4.923 7.982 2.588
223 HA GLU 31 HA GLU 31 4.454 9.388 5.072
224 1HB GLU 31 2HB GLU 31 1.993 9.754 4.299
225 2HB GLU 31 1HB GLU 31 3.226 10.920 3.841
226 1HG GLU 31 2HG GLU 31 1.925 10.547 1.920
227 2HG GLU 31 1HG GLU 31 3.435 9.672 1.665
228 H GLU 32 H GLU 32 2.706 8.391 6.340
229 HA GLU 32 HA GLU 32 2.827 5.553 6.191
230 1HB GLU 32 2HB GLU 32 0.916 7.209 7.834
231 2HB GLU 32 1HB GLU 32 1.391 5.543 8.122
232 1HG GLU 32 2HG GLU 32 3.215 6.148 9.243
233 2HG GLU 32 1HG GLU 32 3.674 7.332 8.018
234 H HIS 33 H HIS 33 0.930 4.142 6.209
235 HA HIS 33 HA HIS 33 -1.501 5.079 5.017
236 1HB HIS 33 2HB HIS 33 0.605 3.933 3.335
237 2HB HIS 33 1HB HIS 33 -0.946 3.114 3.168
238 HD1 HIS 33 1HD HIS 33 -2.998 5.150 3.027
239 HD2 HIS 33 2HD HIS 33 0.787 5.871 1.475
240 HE1 HIS 33 1HE HIS 33 -3.293 7.028 1.382
241 HE2 HIS 33 2HE HIS 33 -0.972 7.515 0.532
242 H ARG 34 H ARG 34 -3.079 3.370 4.760
243 HA ARG 34 HA ARG 34 -2.578 1.148 6.626
244 1HB ARG 34 2HB ARG 34 -4.371 2.974 7.085
245 2HB ARG 34 1HB ARG 34 -5.318 2.107 5.887
246 1HG ARG 34 2HG ARG 34 -5.855 0.503 7.328
247 2HG ARG 34 1HG ARG 34 -4.187 0.327 7.872
248 1HD ARG 34 2HD ARG 34 -5.927 2.607 8.763
249 2HD ARG 34 1HD ARG 34 -5.915 1.058 9.600
250 HE ARG 34 HE ARG 34 -3.686 1.454 10.259
251 1HH1 ARG 34 1HH1 ARG 34 -5.052 4.150 8.495
252 2HH1 ARG 34 2HH1 ARG 34 -3.854 5.270 9.047
253 1HH2 ARG 34 1HH2 ARG 34 -2.121 2.933 10.980
254 2HH2 ARG 34 2HH2 ARG 34 -2.193 4.583 10.454
255 H ASN 35 H ASN 35 -4.985 1.757 4.056
256 HA ASN 35 HA ASN 35 -4.875 -1.011 3.258
257 1HB ASN 35 2HB ASN 35 -6.607 1.292 2.730
258 2HB ASN 35 1HB ASN 35 -6.353 0.273 1.318
259 1HD2 ASN 35 1HD2 ASN 35 -8.176 0.730 4.042
260 2HD2 ASN 35 2HD2 ASN 35 -8.892 -0.838 4.160
261 H MET 36 H MET 36 -2.491 -0.674 2.856
262 HA MET 36 HA MET 36 -1.606 0.757 0.594
263 1HB MET 36 2HB MET 36 0.342 0.259 1.542
264 2HB MET 36 1HB MET 36 -0.480 -0.809 2.666
265 1HG MET 36 2HG MET 36 0.442 -1.686 -0.060
266 2HG MET 36 1HG MET 36 1.436 -1.809 1.387
267 1HE MET 36 1HE MET 36 0.358 -4.902 -0.253
268 2HE MET 36 2HE MET 36 -0.250 -3.405 -0.958
269 3HE MET 36 3HE MET 36 -1.379 -4.610 -0.339
270 H CYS 37 H CYS 37 -3.410 -2.101 0.826
271 HA CYS 37 HA CYS 37 -2.387 -3.380 -1.523
272 1HB CYS 37 2HB CYS 37 -4.446 -4.812 -1.314
273 2HB CYS 37 1HB CYS 37 -3.409 -4.796 0.107
274 H ALA 38 H ALA 38 -5.306 -1.497 -0.809
275 HA ALA 38 HA ALA 38 -6.223 -1.552 -3.502
276 1HB ALA 38 1HB ALA 38 -7.667 -1.198 -1.463
277 2HB ALA 38 2HB ALA 38 -7.962 -0.098 -2.808
278 3HB ALA 38 3HB ALA 38 -7.034 0.446 -1.412
279 H LEU 39 H LEU 39 -4.030 0.362 -1.740
280 HA LEU 39 HA LEU 39 -4.034 2.635 -3.482
281 1HB LEU 39 2HB LEU 39 -2.879 1.823 -1.026
282 2HB LEU 39 1HB LEU 39 -1.580 2.328 -2.081
283 HG LEU 39 HG LEU 39 -2.792 4.492 -2.440
284 1HD1 LEU 39 1HD1 LEU 39 -4.511 3.475 -0.182
285 2HD1 LEU 39 2HD1 LEU 39 -5.033 3.745 -1.844
286 3HD1 LEU 39 3HD1 LEU 39 -4.535 5.109 -0.844
287 1HD2 LEU 39 1HD2 LEU 39 -1.713 5.439 -0.691
288 2HD2 LEU 39 2HD2 LEU 39 -1.035 3.818 -0.542
289 3HD2 LEU 39 3HD2 LEU 39 -2.385 4.306 0.482
290 H CYS 40 H CYS 40 -2.286 -0.376 -3.174
291 HA CYS 40 HA CYS 40 -0.220 0.290 -5.001
292 1HB CYS 40 2HB CYS 40 -0.416 -1.637 -3.178
293 2HB CYS 40 1HB CYS 40 -0.977 -2.554 -4.573
294 H CYS 41 H CYS 41 -3.441 -1.077 -5.306
295 HA CYS 41 HA CYS 41 -3.058 -2.022 -7.989
296 1HB CYS 41 2HB CYS 41 -5.096 -2.868 -7.640
297 2HB CYS 41 1HB CYS 41 -5.214 -1.974 -6.137
298 H GLU 42 H GLU 42 -4.286 0.909 -6.502
299 HA GLU 42 HA GLU 42 -4.724 2.233 -9.039
300 1HB GLU 42 2HB GLU 42 -5.090 2.943 -6.170
301 2HB GLU 42 1HB GLU 42 -5.006 4.247 -7.346
302 1HG GLU 42 2HG GLU 42 -6.963 3.628 -8.378
303 2HG GLU 42 1HG GLU 42 -6.849 1.956 -7.829
304 H HIS 43 H HIS 43 -1.995 1.804 -7.066
305 HA HIS 43 HA HIS 43 -0.751 4.324 -7.817
306 1HB HIS 43 2HB HIS 43 -0.018 2.062 -6.002
307 2HB HIS 43 1HB HIS 43 1.234 3.166 -6.551
308 HD1 HIS 43 1HD HIS 43 -0.613 5.746 -6.473
309 HD2 HIS 43 2HD HIS 43 -0.116 2.996 -3.399
310 HE1 HIS 43 1HE HIS 43 -1.243 6.969 -4.370
311 HE2 HIS 43 2HE HIS 43 -0.826 5.319 -2.513
312 HA PRO 44 HA PRO 44 1.725 3.222 -11.247
313 1HB PRO 44 2HB PRO 44 4.230 3.432 -9.657
314 2HB PRO 44 1HB PRO 44 3.765 4.263 -11.146
315 1HG PRO 44 2HG PRO 44 3.744 5.562 -8.833
316 2HG PRO 44 1HG PRO 44 2.449 5.819 -10.021
317 1HD PRO 44 2HD PRO 44 2.427 4.181 -7.515
318 2HD PRO 44 1HD PRO 44 1.164 5.240 -8.170
319 H GLY 45 H GLY 45 0.814 0.961 -10.738
320 1HA GLY 45 2HA GLY 45 1.098 -1.318 -10.457
321 2HA GLY 45 1HA GLY 45 2.419 -1.015 -11.571
322 H GLY 46 H GLY 46 2.365 0.184 -8.267
323 1HA GLY 46 2HA GLY 46 3.388 -1.546 -6.617
324 2HA GLY 46 1HA GLY 46 4.732 -1.477 -7.743
325 H PHE 47 H PHE 47 3.021 0.146 -5.209
326 HA PHE 47 HA PHE 47 4.482 2.600 -5.349
327 1HB PHE 47 2HB PHE 47 2.266 1.611 -3.896
328 2HB PHE 47 1HB PHE 47 3.478 2.056 -2.703
329 HD1 PHE 47 1HD PHE 47 2.279 3.884 -1.775
330 HD2 PHE 47 2HD PHE 47 3.109 3.748 -5.942
331 HE1 PHE 47 1HE PHE 47 1.605 6.241 -1.984
332 HE2 PHE 47 2HE PHE 47 2.439 6.103 -6.162
333 HZ PHE 47 HZ PHE 47 1.685 7.352 -4.182
334 H GLU 48 H GLU 48 5.896 3.350 -3.536
335 HA GLU 48 HA GLU 48 7.746 1.162 -2.865
336 1HB GLU 48 2HB GLU 48 8.712 3.804 -2.127
337 2HB GLU 48 1HB GLU 48 9.448 2.589 -3.156
338 1HG GLU 48 2HG GLU 48 7.306 3.786 -4.582
339 2HG GLU 48 1HG GLU 48 8.292 5.059 -3.873
340 H TYR 49 H TYR 49 5.904 0.650 -1.291
341 HA TYR 49 HA TYR 49 6.209 2.164 1.217
342 1HB TYR 49 2HB TYR 49 4.258 0.920 1.966
343 2HB TYR 49 1HB TYR 49 3.920 1.962 0.614
344 HD1 TYR 49 1HD TYR 49 2.756 1.099 -1.189
345 HD2 TYR 49 2HD TYR 49 4.787 -1.549 1.439
346 HE1 TYR 49 1HE TYR 49 1.759 -0.813 -2.355
347 HE2 TYR 49 2HE TYR 49 3.803 -3.472 0.284
348 HH TYR 49 HH TYR 49 1.912 -3.996 -1.116
349 H SER 50 H SER 50 6.204 0.972 3.164
350 HA SER 50 HA SER 50 7.347 -1.721 2.976
351 1HB SER 50 2HB SER 50 8.425 0.339 4.889
352 2HB SER 50 1HB SER 50 9.105 -1.235 4.484
353 HG SER 50 HG SER 50 8.850 0.929 2.667
354 H ASN 51 H ASN 51 5.486 -2.639 3.703
355 HA ASN 51 HA ASN 51 3.740 -1.721 5.587
356 1HB ASN 51 2HB ASN 51 4.509 -4.620 5.306
357 2HB ASN 51 1HB ASN 51 2.999 -3.969 5.940
358 1HD2 ASN 51 1HD2 ASN 51 1.650 -4.884 4.468
359 2HD2 ASN 51 2HD2 ASN 51 1.648 -4.485 2.788
360 H GLY 52 H GLY 52 3.687 -1.433 7.646
361 1HA GLY 52 2HA GLY 52 4.201 -2.244 9.906
362 2HA GLY 52 1HA GLY 52 5.816 -2.617 9.323
363 HA PRO 53 HA PRO 53 5.453 1.739 11.275
364 1HB PRO 53 2HB PRO 53 6.951 1.228 13.505
365 2HB PRO 53 1HB PRO 53 5.188 1.117 13.463
366 1HG PRO 53 2HG PRO 53 7.231 -1.060 13.243
367 2HG PRO 53 1HG PRO 53 5.710 -1.038 14.156
368 1HD PRO 53 2HD PRO 53 5.928 -2.295 11.785
369 2HD PRO 53 1HD PRO 53 4.431 -1.480 12.281
370 H CYS 54 H CYS 54 6.823 2.832 10.007
371 HA CYS 54 HA CYS 54 9.643 2.705 10.551
372 1HB CYS 54 2HB CYS 54 10.422 1.703 8.681
373 2HB CYS 54 1HB CYS 54 8.818 0.991 8.607
374 H GLU 55 H GLU 55 7.111 3.950 8.430
375 HA GLU 55 HA GLU 55 7.313 5.952 7.115
376 1HB GLU 55 2HB GLU 55 6.103 7.569 8.455
377 2HB GLU 55 1HB GLU 55 5.482 5.952 8.752
378 1HG GLU 55 2HG GLU 55 5.920 6.096 10.917
379 2HG GLU 55 1HG GLU 55 7.581 6.602 10.615
Start of MODEL 8
1 1H ALA 1 1H ALA 1 8.615 -1.889 -9.765
2 2H ALA 1 2H ALA 1 7.921 -0.466 -9.102
3 3H ALA 1 3H ALA 1 7.160 -1.264 -10.419
4 HA ALA 1 HA ALA 1 5.983 -1.744 -8.464
5 1HB ALA 1 1HB ALA 1 5.787 -3.622 -9.715
6 2HB ALA 1 2HB ALA 1 6.688 -4.320 -8.368
7 3HB ALA 1 3HB ALA 1 7.531 -3.851 -9.845
8 H HIS 2 H HIS 2 5.964 -2.937 -6.387
9 HA HIS 2 HA HIS 2 8.508 -2.771 -4.944
10 1HB HIS 2 2HB HIS 2 6.643 -0.895 -4.599
11 2HB HIS 2 1HB HIS 2 6.104 -2.086 -3.413
12 HD1 HIS 2 1HD HIS 2 9.365 -0.370 -4.377
13 HD2 HIS 2 2HD HIS 2 7.394 -1.857 -1.038
14 HE1 HIS 2 1HE HIS 2 10.851 0.174 -2.423
15 HE2 HIS 2 2HE HIS 2 9.598 -0.661 -0.404
16 H MET 3 H MET 3 7.199 -3.403 -2.529
17 HA MET 3 HA MET 3 7.521 -6.218 -2.607
18 1HB MET 3 2HB MET 3 7.455 -4.256 -0.636
19 2HB MET 3 1HB MET 3 6.097 -5.303 -0.249
20 1HG MET 3 2HG MET 3 8.121 -5.990 0.909
21 2HG MET 3 1HG MET 3 7.564 -7.232 -0.210
22 1HE MET 3 1HE MET 3 9.897 -4.379 0.511
23 2HE MET 3 2HE MET 3 11.385 -4.773 -0.350
24 3HE MET 3 3HE MET 3 10.879 -5.748 1.030
25 H ASP 4 H ASP 4 5.557 -7.166 -0.830
26 HA ASP 4 HA ASP 4 3.738 -8.459 -2.266
27 1HB ASP 4 2HB ASP 4 4.106 -8.170 0.375
28 2HB ASP 4 1HB ASP 4 2.596 -7.278 0.211
29 H CYS 5 H CYS 5 2.872 -7.423 -4.054
30 HA CYS 5 HA CYS 5 1.070 -5.159 -3.536
31 1HB CYS 5 2HB CYS 5 3.016 -5.068 -5.244
32 2HB CYS 5 1HB CYS 5 1.965 -6.044 -6.263
33 H THR 6 H THR 6 -1.057 -5.111 -4.350
34 HA THR 6 HA THR 6 -2.522 -7.490 -4.257
35 HB THR 6 HB THR 6 -3.558 -5.319 -3.950
36 HG1 THR 6 1HG THR 6 -5.007 -6.803 -4.666
37 1HG2 THR 6 1HG2 THR 6 -3.259 -3.574 -5.266
38 2HG2 THR 6 2HG2 THR 6 -3.905 -4.459 -6.647
39 3HG2 THR 6 3HG2 THR 6 -2.184 -4.546 -6.271
40 H GLU 7 H GLU 7 -0.673 -6.070 -6.923
41 HA GLU 7 HA GLU 7 -1.635 -6.673 -9.256
42 1HB GLU 7 2HB GLU 7 0.558 -7.621 -9.968
43 2HB GLU 7 1HB GLU 7 0.681 -6.132 -9.040
44 1HG GLU 7 2HG GLU 7 1.044 -7.645 -7.011
45 2HG GLU 7 1HG GLU 7 1.325 -8.930 -8.186
46 H PHE 8 H PHE 8 -3.371 -8.123 -9.147
47 HA PHE 8 HA PHE 8 -2.697 -10.804 -9.897
48 1HB PHE 8 2HB PHE 8 -3.283 -10.297 -7.153
49 2HB PHE 8 1HB PHE 8 -4.645 -11.172 -7.832
50 HD1 PHE 8 1HD PHE 8 -1.241 -11.361 -6.698
51 HD2 PHE 8 2HD PHE 8 -4.246 -13.387 -8.931
52 HE1 PHE 8 1HE PHE 8 0.026 -13.461 -6.492
53 HE2 PHE 8 2HE PHE 8 -2.984 -15.489 -8.728
54 HZ PHE 8 HZ PHE 8 -0.845 -15.528 -7.508
55 H ASN 9 H ASN 9 -5.375 -11.853 -9.393
56 HA ASN 9 HA ASN 9 -6.687 -10.732 -11.655
57 1HB ASN 9 2HB ASN 9 -7.106 -12.983 -9.837
58 2HB ASN 9 1HB ASN 9 -8.615 -12.217 -10.323
59 1HD2 ASN 9 1HD2 ASN 9 -5.539 -13.254 -11.761
60 2HD2 ASN 9 2HD2 ASN 9 -6.239 -13.934 -13.186
61 HA PRO 10 HA PRO 10 -9.653 -8.702 -8.550
62 1HB PRO 10 2HB PRO 10 -9.676 -9.350 -5.979
63 2HB PRO 10 1HB PRO 10 -10.328 -10.467 -7.182
64 1HG PRO 10 2HG PRO 10 -7.695 -10.527 -5.768
65 2HG PRO 10 1HG PRO 10 -8.785 -11.868 -6.164
66 1HD PRO 10 2HD PRO 10 -6.537 -11.125 -7.630
67 2HD PRO 10 1HD PRO 10 -7.869 -12.130 -8.226
68 H LEU 11 H LEU 11 -8.406 -6.805 -8.936
69 HA LEU 11 HA LEU 11 -6.158 -6.038 -7.439
70 1HB LEU 11 2HB LEU 11 -8.159 -4.459 -9.032
71 2HB LEU 11 1HB LEU 11 -6.812 -3.688 -8.216
72 HG LEU 11 HG LEU 11 -6.272 -4.029 -10.547
73 1HD1 LEU 11 1HD1 LEU 11 -4.654 -4.625 -8.490
74 2HD1 LEU 11 2HD1 LEU 11 -4.144 -4.676 -10.178
75 3HD1 LEU 11 3HD1 LEU 11 -4.621 -6.161 -9.356
76 1HD2 LEU 11 1HD2 LEU 11 -7.843 -6.059 -10.702
77 2HD2 LEU 11 2HD2 LEU 11 -6.448 -6.996 -10.165
78 3HD2 LEU 11 3HD2 LEU 11 -6.365 -6.070 -11.664
79 H CYS 12 H CYS 12 -6.082 -4.006 -6.095
80 HA CYS 12 HA CYS 12 -6.731 -4.172 -3.633
81 1HB CYS 12 2HB CYS 12 -6.861 -1.822 -3.371
82 2HB CYS 12 1HB CYS 12 -5.798 -2.149 -4.729
83 H ARG 13 H ARG 13 -8.646 -5.701 -4.145
84 HA ARG 13 HA ARG 13 -11.240 -4.413 -4.113
85 1HB ARG 13 2HB ARG 13 -12.079 -6.779 -3.734
86 2HB ARG 13 1HB ARG 13 -11.226 -6.488 -5.242
87 1HG ARG 13 2HG ARG 13 -10.335 -8.487 -4.574
88 2HG ARG 13 1HG ARG 13 -9.155 -7.353 -3.925
89 1HD ARG 13 2HD ARG 13 -9.650 -9.009 -2.259
90 2HD ARG 13 1HD ARG 13 -10.322 -7.467 -1.742
91 HE ARG 13 HE ARG 13 -12.358 -8.755 -3.069
92 1HH1 ARG 13 1HH1 ARG 13 -10.350 -9.409 -0.290
93 2HH1 ARG 13 2HH1 ARG 13 -11.553 -10.363 0.511
94 1HH2 ARG 13 1HH2 ARG 13 -13.940 -10.016 -2.019
95 2HH2 ARG 13 2HH2 ARG 13 -13.590 -10.708 -0.469
96 H CYS 14 H CYS 14 -9.445 -3.725 -1.954
97 HA CYS 14 HA CYS 14 -11.070 -4.646 0.296
98 1HB CYS 14 2HB CYS 14 -9.266 -5.113 1.604
99 2HB CYS 14 1HB CYS 14 -8.534 -5.431 0.041
100 H ASN 15 H ASN 15 -12.256 -3.055 0.962
101 HA ASN 15 HA ASN 15 -11.446 -0.285 0.609
102 1HB ASN 15 2HB ASN 15 -13.934 -1.659 0.789
103 2HB ASN 15 1HB ASN 15 -13.872 -0.489 2.094
104 1HD2 ASN 15 1HD2 ASN 15 -12.734 1.653 1.208
105 2HD2 ASN 15 2HD2 ASN 15 -13.504 2.292 -0.202
106 H LYS 16 H LYS 16 -12.416 -2.422 3.232
107 HA LYS 16 HA LYS 16 -12.476 -1.251 5.506
108 1HB LYS 16 2HB LYS 16 -11.894 -3.727 5.000
109 2HB LYS 16 1HB LYS 16 -10.232 -3.230 5.287
110 1HG LYS 16 2HG LYS 16 -10.607 -3.664 7.430
111 2HG LYS 16 1HG LYS 16 -11.587 -2.197 7.453
112 1HD LYS 16 2HD LYS 16 -13.499 -3.347 7.649
113 2HD LYS 16 1HD LYS 16 -13.021 -4.519 6.420
114 1HE LYS 16 2HE LYS 16 -13.207 -5.788 8.370
115 2HE LYS 16 1HE LYS 16 -11.476 -5.488 8.218
116 1HZ LYS 16 1HZ LYS 16 -13.393 -4.375 10.143
117 2HZ LYS 16 2HZ LYS 16 -12.043 -3.450 9.714
118 3HZ LYS 16 3HZ LYS 16 -11.834 -4.980 10.405
119 H MET 17 H MET 17 -11.502 0.831 4.519
120 HA MET 17 HA MET 17 -8.836 1.469 4.456
121 1HB MET 17 2HB MET 17 -11.075 3.159 5.522
122 2HB MET 17 1HB MET 17 -9.484 3.758 5.079
123 1HG MET 17 2HG MET 17 -10.252 2.423 2.821
124 2HG MET 17 1HG MET 17 -11.776 3.093 3.400
125 1HE MET 17 1HE MET 17 -7.930 4.479 3.169
126 2HE MET 17 2HE MET 17 -8.209 5.301 1.634
127 3HE MET 17 3HE MET 17 -8.475 3.563 1.765
128 H LEU 18 H LEU 18 -8.236 -0.096 6.202
129 HA LEU 18 HA LEU 18 -7.114 1.296 8.357
130 1HB LEU 18 2HB LEU 18 -8.243 0.255 10.222
131 2HB LEU 18 1HB LEU 18 -9.398 1.135 9.243
132 HG LEU 18 HG LEU 18 -9.476 -1.452 8.217
133 1HD1 LEU 18 1HD1 LEU 18 -8.641 -2.763 9.830
134 2HD1 LEU 18 2HD1 LEU 18 -10.158 -2.429 10.665
135 3HD1 LEU 18 3HD1 LEU 18 -8.716 -1.487 11.044
136 1HD2 LEU 18 1HD2 LEU 18 -11.408 -0.083 8.391
137 2HD2 LEU 18 2HD2 LEU 18 -11.255 0.025 10.144
138 3HD2 LEU 18 3HD2 LEU 18 -11.697 -1.507 9.390
139 H GLY 19 H GLY 19 -5.903 -0.057 6.510
140 1HA GLY 19 2HA GLY 19 -5.493 -2.827 7.201
141 2HA GLY 19 1HA GLY 19 -4.639 -1.925 5.961
142 H ASP 20 H ASP 20 -2.737 -3.017 6.703
143 HA ASP 20 HA ASP 20 -1.736 -2.715 9.328
144 1HB ASP 20 2HB ASP 20 -0.015 -3.182 6.906
145 2HB ASP 20 1HB ASP 20 0.211 -3.771 8.546
146 H LEU 21 H LEU 21 0.605 -1.798 9.508
147 HA LEU 21 HA LEU 21 0.414 1.047 8.882
148 1HB LEU 21 2HB LEU 21 2.281 1.243 10.499
149 2HB LEU 21 1HB LEU 21 0.853 0.481 11.178
150 HG LEU 21 HG LEU 21 2.887 -1.349 10.056
151 1HD1 LEU 21 1HD1 LEU 21 4.049 0.577 11.358
152 2HD1 LEU 21 2HD1 LEU 21 4.491 -1.101 11.676
153 3HD1 LEU 21 3HD1 LEU 21 3.406 -0.250 12.775
154 1HD2 LEU 21 1HD2 LEU 21 0.731 -1.351 12.002
155 2HD2 LEU 21 2HD2 LEU 21 2.194 -2.130 12.601
156 3HD2 LEU 21 3HD2 LEU 21 1.451 -2.685 11.102
157 H ILE 22 H ILE 22 0.920 0.755 6.622
158 HA ILE 22 HA ILE 22 3.610 -0.145 5.984
159 HB ILE 22 HB ILE 22 2.070 -0.943 4.438
160 1HG1 ILE 22 2HG1 ILE 22 4.113 0.444 3.528
161 2HG1 ILE 22 1HG1 ILE 22 2.930 -0.266 2.440
162 1HG2 ILE 22 1HG2 ILE 22 0.887 1.810 4.452
163 2HG2 ILE 22 2HG2 ILE 22 0.117 0.279 4.872
164 3HG2 ILE 22 3HG2 ILE 22 0.513 0.636 3.191
165 1HD1 ILE 22 1HD1 ILE 22 2.484 2.511 3.398
166 2HD1 ILE 22 2HD1 ILE 22 2.029 1.751 1.874
167 3HD1 ILE 22 3HD1 ILE 22 3.703 2.217 2.159
168 H CYS 23 H CYS 23 5.129 1.130 4.844
169 HA CYS 23 HA CYS 23 4.779 4.032 5.272
170 1HB CYS 23 2HB CYS 23 6.642 2.594 6.511
171 2HB CYS 23 1HB CYS 23 7.495 2.818 4.988
172 H ALA 24 H ALA 24 3.881 4.419 3.239
173 HA ALA 24 HA ALA 24 5.168 3.464 0.868
174 1HB ALA 24 1HB ALA 24 2.895 3.647 0.562
175 2HB ALA 24 2HB ALA 24 3.483 5.123 -0.207
176 3HB ALA 24 3HB ALA 24 2.796 5.187 1.416
177 H VAL 25 H VAL 25 6.122 4.676 -0.734
178 HA VAL 25 HA VAL 25 6.882 7.435 -0.244
179 HB VAL 25 HB VAL 25 9.045 5.384 -0.694
180 1HG1 VAL 25 1HG1 VAL 25 10.048 7.297 -1.343
181 2HG1 VAL 25 2HG1 VAL 25 10.249 7.531 0.393
182 3HG1 VAL 25 3HG1 VAL 25 8.919 8.320 -0.456
183 1HG2 VAL 25 1HG2 VAL 25 9.658 5.932 1.723
184 2HG2 VAL 25 2HG2 VAL 25 8.290 4.850 1.463
185 3HG2 VAL 25 3HG2 VAL 25 8.010 6.540 1.877
186 H ILE 26 H ILE 26 7.414 8.537 -2.077
187 HA ILE 26 HA ILE 26 7.973 7.165 -4.542
188 HB ILE 26 HB ILE 26 5.957 8.474 -5.641
189 1HG1 ILE 26 2HG1 ILE 26 5.258 9.229 -3.280
190 2HG1 ILE 26 1HG1 ILE 26 4.007 8.633 -4.358
191 1HG2 ILE 26 1HG2 ILE 26 5.235 5.870 -4.408
192 2HG2 ILE 26 2HG2 ILE 26 6.631 5.953 -5.477
193 3HG2 ILE 26 3HG2 ILE 26 5.044 6.436 -6.064
194 1HD1 ILE 26 1HD1 ILE 26 4.971 7.568 -1.809
195 2HD1 ILE 26 2HD1 ILE 26 4.700 6.357 -3.057
196 3HD1 ILE 26 3HD1 ILE 26 3.392 7.434 -2.575
197 H GLY 27 H GLY 27 9.786 8.455 -4.560
198 1HA GLY 27 2HA GLY 27 11.053 10.190 -5.335
199 2HA GLY 27 1HA GLY 27 9.579 10.862 -6.009
200 H ASP 28 H ASP 28 8.068 11.612 -4.079
201 HA ASP 28 HA ASP 28 9.602 12.994 -2.033
202 1HB ASP 28 2HB ASP 28 8.530 15.179 -2.606
203 2HB ASP 28 1HB ASP 28 9.664 14.606 -3.826
204 H ALA 29 H ALA 29 7.419 10.903 -2.328
205 HA ALA 29 HA ALA 29 5.569 12.182 -0.421
206 1HB ALA 29 1HB ALA 29 4.228 10.062 -1.781
207 2HB ALA 29 2HB ALA 29 4.901 11.172 -2.974
208 3HB ALA 29 3HB ALA 29 3.817 11.776 -1.721
209 H LYS 30 H LYS 30 7.061 11.300 1.135
210 HA LYS 30 HA LYS 30 6.895 8.387 1.450
211 1HB LYS 30 2HB LYS 30 9.160 9.081 1.425
212 2HB LYS 30 1HB LYS 30 8.835 10.454 2.472
213 1HG LYS 30 2HG LYS 30 8.601 9.066 4.375
214 2HG LYS 30 1HG LYS 30 8.563 7.603 3.388
215 1HD LYS 30 2HD LYS 30 10.933 8.591 2.619
216 2HD LYS 30 1HD LYS 30 10.858 9.261 4.250
217 1HE LYS 30 2HE LYS 30 10.760 6.372 3.417
218 2HE LYS 30 1HE LYS 30 11.959 7.173 4.432
219 1HZ LYS 30 1HZ LYS 30 10.665 6.118 5.981
220 2HZ LYS 30 2HZ LYS 30 9.232 6.318 5.106
221 3HZ LYS 30 3HZ LYS 30 9.907 7.630 5.933
222 H GLU 31 H GLU 31 5.027 8.007 2.558
223 HA GLU 31 HA GLU 31 4.907 8.925 5.307
224 1HB GLU 31 2HB GLU 31 3.611 10.525 3.651
225 2HB GLU 31 1HB GLU 31 2.387 9.266 3.737
226 1HG GLU 31 2HG GLU 31 1.653 10.093 5.647
227 2HG GLU 31 1HG GLU 31 3.235 9.840 6.381
228 H GLU 32 H GLU 32 3.035 7.847 6.477
229 HA GLU 32 HA GLU 32 3.084 5.055 5.839
230 1HB GLU 32 2HB GLU 32 1.903 6.695 8.043
231 2HB GLU 32 1HB GLU 32 1.360 5.038 7.819
232 1HG GLU 32 2HG GLU 32 3.746 4.319 7.966
233 2HG GLU 32 1HG GLU 32 4.155 5.977 8.400
234 H HIS 33 H HIS 33 0.986 3.787 5.982
235 HA HIS 33 HA HIS 33 -1.384 5.084 5.020
236 1HB HIS 33 2HB HIS 33 -0.021 4.896 2.940
237 2HB HIS 33 1HB HIS 33 -0.008 3.147 3.150
238 HD1 HIS 33 1HD HIS 33 -2.692 5.853 3.002
239 HD2 HIS 33 2HD HIS 33 -1.951 1.984 1.684
240 HE1 HIS 33 1HE HIS 33 -4.716 5.203 1.659
241 HE2 HIS 33 2HE HIS 33 -4.268 2.838 0.913
242 H ARG 34 H ARG 34 -3.200 3.709 4.958
243 HA ARG 34 HA ARG 34 -2.846 1.281 6.565
244 1HB ARG 34 2HB ARG 34 -5.473 2.618 5.983
245 2HB ARG 34 1HB ARG 34 -5.067 1.531 7.304
246 1HG ARG 34 2HG ARG 34 -3.895 4.284 6.993
247 2HG ARG 34 1HG ARG 34 -5.335 3.927 7.949
248 1HD ARG 34 2HD ARG 34 -2.618 2.687 8.375
249 2HD ARG 34 1HD ARG 34 -3.274 4.032 9.308
250 HE ARG 34 HE ARG 34 -3.863 1.271 9.650
251 1HH1 ARG 34 1HH1 ARG 34 -5.267 4.459 9.872
252 2HH1 ARG 34 2HH1 ARG 34 -6.443 3.996 11.055
253 1HH2 ARG 34 1HH2 ARG 34 -5.413 0.659 11.203
254 2HH2 ARG 34 2HH2 ARG 34 -6.526 1.838 11.810
255 H ASN 35 H ASN 35 -4.863 2.426 3.838
256 HA ASN 35 HA ASN 35 -5.481 -0.277 3.062
257 1HB ASN 35 2HB ASN 35 -6.571 2.290 2.545
258 2HB ASN 35 1HB ASN 35 -6.130 1.596 0.990
259 1HD2 ASN 35 1HD2 ASN 35 -7.221 -0.049 3.917
260 2HD2 ASN 35 2HD2 ASN 35 -8.656 -0.714 3.221
261 H MET 36 H MET 36 -3.097 -0.720 2.947
262 HA MET 36 HA MET 36 -1.482 0.272 0.897
263 1HB MET 36 2HB MET 36 -0.047 -0.924 2.117
264 2HB MET 36 1HB MET 36 -1.363 -1.775 2.906
265 1HG MET 36 2HG MET 36 -1.406 -3.343 0.957
266 2HG MET 36 1HG MET 36 0.053 -2.549 0.366
267 1HE MET 36 1HE MET 36 1.734 -3.951 0.274
268 2HE MET 36 2HE MET 36 2.476 -4.931 1.540
269 3HE MET 36 3HE MET 36 2.642 -3.176 1.570
270 H CYS 37 H CYS 37 -4.226 -1.749 0.687
271 HA CYS 37 HA CYS 37 -3.368 -3.092 -1.710
272 1HB CYS 37 2HB CYS 37 -5.345 -4.303 -1.636
273 2HB CYS 37 1HB CYS 37 -5.049 -3.969 0.062
274 H ALA 38 H ALA 38 -5.696 -0.527 -0.940
275 HA ALA 38 HA ALA 38 -6.455 -0.008 -3.610
276 1HB ALA 38 1HB ALA 38 -7.808 0.733 -1.730
277 2HB ALA 38 2HB ALA 38 -7.356 2.101 -2.747
278 3HB ALA 38 3HB ALA 38 -6.519 1.824 -1.220
279 H LEU 39 H LEU 39 -3.657 0.764 -1.829
280 HA LEU 39 HA LEU 39 -2.864 3.040 -3.392
281 1HB LEU 39 2HB LEU 39 -2.051 1.679 -1.036
282 2HB LEU 39 1HB LEU 39 -0.668 1.765 -2.101
283 HG LEU 39 HG LEU 39 -0.873 4.196 -2.217
284 1HD1 LEU 39 1HD1 LEU 39 -2.940 4.996 -1.908
285 2HD1 LEU 39 2HD1 LEU 39 -2.510 4.985 -0.198
286 3HD1 LEU 39 3HD1 LEU 39 -3.419 3.640 -0.888
287 1HD2 LEU 39 1HD2 LEU 39 0.611 3.842 -0.562
288 2HD2 LEU 39 2HD2 LEU 39 -0.455 2.733 0.301
289 3HD2 LEU 39 3HD2 LEU 39 -0.683 4.475 0.455
290 H CYS 40 H CYS 40 -2.009 -0.360 -3.173
291 HA CYS 40 HA CYS 40 0.002 -0.331 -5.128
292 1HB CYS 40 2HB CYS 40 -1.152 -2.215 -3.388
293 2HB CYS 40 1HB CYS 40 -1.316 -2.882 -5.009
294 H CYS 41 H CYS 41 -3.473 -0.895 -5.289
295 HA CYS 41 HA CYS 41 -3.427 -1.662 -8.046
296 1HB CYS 41 2HB CYS 41 -5.703 -1.905 -7.851
297 2HB CYS 41 1HB CYS 41 -5.192 -2.070 -6.185
298 H GLU 42 H GLU 42 -3.926 1.322 -6.291
299 HA GLU 42 HA GLU 42 -4.569 2.828 -8.677
300 1HB GLU 42 2HB GLU 42 -4.115 3.621 -5.806
301 2HB GLU 42 1HB GLU 42 -4.414 4.800 -7.077
302 1HG GLU 42 2HG GLU 42 -6.261 2.601 -6.179
303 2HG GLU 42 1HG GLU 42 -6.462 4.333 -5.919
304 H HIS 43 H HIS 43 -1.699 1.785 -7.240
305 HA HIS 43 HA HIS 43 -0.148 4.004 -8.388
306 1HB HIS 43 2HB HIS 43 0.514 1.937 -6.295
307 2HB HIS 43 1HB HIS 43 1.733 2.979 -7.021
308 HD1 HIS 43 1HD HIS 43 -0.228 5.516 -7.098
309 HD2 HIS 43 2HD HIS 43 0.681 3.168 -3.794
310 HE1 HIS 43 1HE HIS 43 -0.673 6.971 -5.100
311 HE2 HIS 43 2HE HIS 43 0.066 5.592 -3.129
312 HA PRO 44 HA PRO 44 1.640 1.529 -11.548
313 1HB PRO 44 2HB PRO 44 4.371 2.361 -10.988
314 2HB PRO 44 1HB PRO 44 3.300 2.885 -12.289
315 1HG PRO 44 2HG PRO 44 4.063 4.517 -10.253
316 2HG PRO 44 1HG PRO 44 2.507 4.678 -11.092
317 1HD PRO 44 2HD PRO 44 3.114 3.370 -8.460
318 2HD PRO 44 1HD PRO 44 1.764 4.444 -8.890
319 H GLY 45 H GLY 45 1.401 -0.601 -10.874
320 1HA GLY 45 2HA GLY 45 2.075 -2.688 -10.187
321 2HA GLY 45 1HA GLY 45 3.714 -2.124 -10.484
322 H GLY 46 H GLY 46 1.830 -0.334 -8.232
323 1HA GLY 46 2HA GLY 46 1.680 -0.538 -5.892
324 2HA GLY 46 1HA GLY 46 2.876 -1.819 -5.949
325 H PHE 47 H PHE 47 2.333 1.432 -5.243
326 HA PHE 47 HA PHE 47 4.721 2.699 -5.851
327 1HB PHE 47 2HB PHE 47 2.622 3.046 -3.797
328 2HB PHE 47 1HB PHE 47 4.180 3.746 -3.391
329 HD1 PHE 47 1HD PHE 47 2.598 5.808 -3.362
330 HD2 PHE 47 2HD PHE 47 3.750 3.753 -6.901
331 HE1 PHE 47 1HE PHE 47 2.051 7.801 -4.695
332 HE2 PHE 47 2HE PHE 47 3.204 5.741 -8.241
333 HZ PHE 47 HZ PHE 47 2.356 7.770 -7.137
334 H GLU 48 H GLU 48 6.356 3.373 -3.982
335 HA GLU 48 HA GLU 48 7.421 0.793 -3.073
336 1HB GLU 48 2HB GLU 48 9.264 2.712 -2.262
337 2HB GLU 48 1HB GLU 48 9.365 1.704 -3.692
338 1HG GLU 48 2HG GLU 48 7.845 3.746 -4.618
339 2HG GLU 48 1HG GLU 48 8.849 4.574 -3.430
340 H TYR 49 H TYR 49 6.356 0.182 -1.352
341 HA TYR 49 HA TYR 49 6.238 1.983 0.998
342 1HB TYR 49 2HB TYR 49 4.567 0.325 1.808
343 2HB TYR 49 1HB TYR 49 4.061 1.317 0.452
344 HD1 TYR 49 1HD TYR 49 5.194 -2.013 1.486
345 HD2 TYR 49 2HD TYR 49 3.536 0.334 -1.642
346 HE1 TYR 49 1HE TYR 49 4.665 -4.057 0.251
347 HE2 TYR 49 2HE TYR 49 2.999 -1.703 -2.893
348 HH TYR 49 HH TYR 49 3.499 -4.884 -1.490
349 H SER 50 H SER 50 6.430 0.956 3.059
350 HA SER 50 HA SER 50 8.066 -1.462 3.087
351 1HB SER 50 2HB SER 50 9.404 -0.091 4.953
352 2HB SER 50 1HB SER 50 9.885 -0.102 3.257
353 HG SER 50 HG SER 50 9.353 1.992 4.668
354 H ASN 51 H ASN 51 6.430 -2.578 4.026
355 HA ASN 51 HA ASN 51 4.684 -1.777 5.966
356 1HB ASN 51 2HB ASN 51 5.911 -4.530 5.856
357 2HB ASN 51 1HB ASN 51 4.356 -4.079 6.551
358 1HD2 ASN 51 1HD2 ASN 51 2.733 -4.687 5.333
359 2HD2 ASN 51 2HD2 ASN 51 2.696 -4.698 3.606
360 H GLY 52 H GLY 52 4.716 -1.368 8.037
361 1HA GLY 52 2HA GLY 52 5.762 -2.126 10.234
362 2HA GLY 52 1HA GLY 52 7.282 -1.693 9.465
363 HA PRO 53 HA PRO 53 5.344 1.998 11.732
364 1HB PRO 53 2HB PRO 53 7.128 2.214 13.754
365 2HB PRO 53 1HB PRO 53 5.686 1.197 13.863
366 1HG PRO 53 2HG PRO 53 8.510 0.418 13.238
367 2HG PRO 53 1HG PRO 53 7.342 -0.379 14.308
368 1HD PRO 53 2HD PRO 53 7.851 -1.248 11.792
369 2HD PRO 53 1HD PRO 53 6.259 -1.417 12.560
370 H CYS 54 H CYS 54 6.044 4.075 11.437
371 HA CYS 54 HA CYS 54 8.774 4.795 11.126
372 1HB CYS 54 2HB CYS 54 8.841 5.294 8.785
373 2HB CYS 54 1HB CYS 54 8.330 3.620 8.959
374 H GLU 55 H GLU 55 5.410 5.622 10.392
375 HA GLU 55 HA GLU 55 6.015 8.418 11.102
376 1HB GLU 55 2HB GLU 55 5.030 7.670 8.750
377 2HB GLU 55 1HB GLU 55 3.515 7.707 9.641
378 1HG GLU 55 2HG GLU 55 3.716 9.818 8.645
379 2HG GLU 55 1HG GLU 55 4.138 10.056 10.340
Start of MODEL 9
1 1H ALA 1 1H ALA 1 11.444 -3.431 3.297
2 2H ALA 1 2H ALA 1 10.200 -2.253 3.393
3 3H ALA 1 3H ALA 1 11.501 -2.043 2.295
4 HA ALA 1 HA ALA 1 10.668 -4.346 1.458
5 1HB ALA 1 1HB ALA 1 7.996 -3.688 1.530
6 2HB ALA 1 2HB ALA 1 8.544 -3.347 3.172
7 3HB ALA 1 3HB ALA 1 8.782 -4.950 2.478
8 H HIS 2 H HIS 2 9.051 -4.122 -0.460
9 HA HIS 2 HA HIS 2 9.116 -1.459 -1.654
10 1HB HIS 2 2HB HIS 2 10.773 -3.723 -2.428
11 2HB HIS 2 1HB HIS 2 9.840 -3.068 -3.763
12 HD1 HIS 2 1HD HIS 2 13.054 -2.793 -2.636
13 HD2 HIS 2 2HD HIS 2 10.133 0.071 -3.366
14 HE1 HIS 2 1HE HIS 2 14.298 -0.634 -2.979
15 HE2 HIS 2 2HE HIS 2 12.515 1.070 -3.490
16 H MET 3 H MET 3 8.452 -2.545 -4.179
17 HA MET 3 HA MET 3 5.649 -2.507 -3.976
18 1HB MET 3 2HB MET 3 6.833 -1.682 -5.939
19 2HB MET 3 1HB MET 3 7.430 -3.298 -6.287
20 1HG MET 3 2HG MET 3 5.197 -4.064 -6.765
21 2HG MET 3 1HG MET 3 4.531 -2.503 -6.295
22 1HE MET 3 1HE MET 3 7.672 -2.902 -9.454
23 2HE MET 3 2HE MET 3 6.478 -4.163 -9.760
24 3HE MET 3 3HE MET 3 7.272 -4.064 -8.189
25 H ASP 4 H ASP 4 5.542 -4.295 -2.376
26 HA ASP 4 HA ASP 4 5.074 -6.866 -3.731
27 1HB ASP 4 2HB ASP 4 6.608 -6.275 -1.253
28 2HB ASP 4 1HB ASP 4 5.546 -7.678 -1.195
29 H CYS 5 H CYS 5 2.870 -6.106 -3.971
30 HA CYS 5 HA CYS 5 1.324 -6.350 -1.480
31 1HB CYS 5 2HB CYS 5 1.653 -3.965 -2.169
32 2HB CYS 5 1HB CYS 5 0.767 -4.314 -3.645
33 H THR 6 H THR 6 -1.093 -5.602 -3.322
34 HA THR 6 HA THR 6 -1.989 -8.229 -3.742
35 HB THR 6 HB THR 6 -3.449 -6.294 -3.341
36 HG1 THR 6 1HG THR 6 -3.870 -7.706 -5.757
37 1HG2 THR 6 1HG2 THR 6 -2.049 -4.956 -5.244
38 2HG2 THR 6 2HG2 THR 6 -3.633 -4.485 -4.628
39 3HG2 THR 6 3HG2 THR 6 -3.508 -5.412 -6.123
40 H GLU 7 H GLU 7 -0.178 -6.034 -5.898
41 HA GLU 7 HA GLU 7 -0.625 -6.408 -8.389
42 1HB GLU 7 2HB GLU 7 1.724 -6.845 -8.904
43 2HB GLU 7 1HB GLU 7 1.560 -5.679 -7.599
44 1HG GLU 7 2HG GLU 7 1.815 -7.790 -6.081
45 2HG GLU 7 1HG GLU 7 2.554 -8.483 -7.524
46 H PHE 8 H PHE 8 -2.236 -8.125 -8.430
47 HA PHE 8 HA PHE 8 -1.194 -10.486 -9.682
48 1HB PHE 8 2HB PHE 8 -2.547 -10.655 -6.985
49 2HB PHE 8 1HB PHE 8 -2.499 -12.018 -8.094
50 HD1 PHE 8 1HD PHE 8 -0.877 -10.454 -5.417
51 HD2 PHE 8 2HD PHE 8 -0.107 -12.622 -8.997
52 HE1 PHE 8 1HE PHE 8 1.343 -11.079 -4.558
53 HE2 PHE 8 2HE PHE 8 2.113 -13.252 -8.144
54 HZ PHE 8 HZ PHE 8 2.840 -12.479 -5.921
55 H ASN 9 H ASN 9 -3.734 -11.968 -9.245
56 HA ASN 9 HA ASN 9 -5.247 -10.743 -11.316
57 1HB ASN 9 2HB ASN 9 -6.421 -12.867 -9.558
58 2HB ASN 9 1HB ASN 9 -6.591 -12.636 -11.292
59 1HD2 ASN 9 1HD2 ASN 9 -5.322 -13.757 -12.621
60 2HD2 ASN 9 2HD2 ASN 9 -3.997 -14.749 -12.127
61 HA PRO 10 HA PRO 10 -8.255 -9.470 -7.874
62 1HB PRO 10 2HB PRO 10 -7.956 -10.283 -5.362
63 2HB PRO 10 1HB PRO 10 -8.513 -11.410 -6.606
64 1HG PRO 10 2HG PRO 10 -5.834 -11.172 -5.328
65 2HG PRO 10 1HG PRO 10 -6.686 -12.619 -5.893
66 1HD PRO 10 2HD PRO 10 -4.678 -11.182 -7.275
67 2HD PRO 10 1HD PRO 10 -5.697 -12.478 -7.926
68 H LEU 11 H LEU 11 -7.128 -7.435 -8.340
69 HA LEU 11 HA LEU 11 -5.053 -6.438 -6.718
70 1HB LEU 11 2HB LEU 11 -6.695 -5.478 -8.884
71 2HB LEU 11 1HB LEU 11 -6.497 -4.229 -7.671
72 HG LEU 11 HG LEU 11 -4.092 -4.328 -7.879
73 1HD1 LEU 11 1HD1 LEU 11 -4.703 -6.809 -9.362
74 2HD1 LEU 11 2HD1 LEU 11 -3.344 -6.418 -8.307
75 3HD1 LEU 11 3HD1 LEU 11 -3.367 -5.831 -9.970
76 1HD2 LEU 11 1HD2 LEU 11 -3.900 -3.779 -10.360
77 2HD2 LEU 11 2HD2 LEU 11 -5.037 -2.823 -9.412
78 3HD2 LEU 11 3HD2 LEU 11 -5.628 -4.119 -10.451
79 H CYS 12 H CYS 12 -5.364 -4.247 -5.575
80 HA CYS 12 HA CYS 12 -6.029 -4.345 -3.133
81 1HB CYS 12 2HB CYS 12 -6.766 -2.043 -3.070
82 2HB CYS 12 1HB CYS 12 -5.469 -2.242 -4.235
83 H ARG 13 H ARG 13 -7.478 -6.216 -3.309
84 HA ARG 13 HA ARG 13 -10.327 -5.500 -3.382
85 1HB ARG 13 2HB ARG 13 -10.532 -8.062 -2.877
86 2HB ARG 13 1HB ARG 13 -10.119 -7.522 -4.496
87 1HG ARG 13 2HG ARG 13 -8.779 -9.440 -3.756
88 2HG ARG 13 1HG ARG 13 -7.792 -8.028 -4.121
89 1HD ARG 13 2HD ARG 13 -7.206 -7.702 -1.942
90 2HD ARG 13 1HD ARG 13 -8.703 -8.392 -1.321
91 HE ARG 13 HE ARG 13 -7.023 -10.333 -2.587
92 1HH1 ARG 13 1HH1 ARG 13 -7.608 -8.603 0.389
93 2HH1 ARG 13 2HH1 ARG 13 -6.873 -9.815 1.384
94 1HH2 ARG 13 1HH2 ARG 13 -6.056 -11.926 -1.279
95 2HH2 ARG 13 2HH2 ARG 13 -5.992 -11.701 0.437
96 H CYS 14 H CYS 14 -8.757 -4.369 -1.388
97 HA CYS 14 HA CYS 14 -9.963 -5.541 1.003
98 1HB CYS 14 2HB CYS 14 -7.374 -4.403 1.591
99 2HB CYS 14 1HB CYS 14 -7.987 -6.012 1.946
100 H ASN 15 H ASN 15 -11.325 -4.015 1.689
101 HA ASN 15 HA ASN 15 -10.693 -1.185 1.340
102 1HB ASN 15 2HB ASN 15 -13.090 -2.718 1.429
103 2HB ASN 15 1HB ASN 15 -13.140 -1.562 2.748
104 1HD2 ASN 15 1HD2 ASN 15 -12.363 0.692 2.063
105 2HD2 ASN 15 2HD2 ASN 15 -13.030 1.289 0.586
106 H LYS 16 H LYS 16 -11.490 -3.450 3.897
107 HA LYS 16 HA LYS 16 -11.756 -2.339 6.176
108 1HB LYS 16 2HB LYS 16 -10.313 -3.904 7.289
109 2HB LYS 16 1HB LYS 16 -11.036 -4.692 5.895
110 1HG LYS 16 2HG LYS 16 -9.044 -5.177 5.061
111 2HG LYS 16 1HG LYS 16 -8.536 -3.490 5.157
112 1HD LYS 16 2HD LYS 16 -7.055 -4.940 6.457
113 2HD LYS 16 1HD LYS 16 -7.914 -3.803 7.498
114 1HE LYS 16 2HE LYS 16 -9.629 -5.744 7.747
115 2HE LYS 16 1HE LYS 16 -8.296 -6.753 7.189
116 1HZ LYS 16 1HZ LYS 16 -7.035 -6.253 9.054
117 2HZ LYS 16 2HZ LYS 16 -8.594 -6.406 9.691
118 3HZ LYS 16 3HZ LYS 16 -7.934 -4.870 9.434
119 H MET 17 H MET 17 -11.061 -0.134 5.294
120 HA MET 17 HA MET 17 -8.407 0.783 5.513
121 1HB MET 17 2HB MET 17 -10.222 1.987 4.406
122 2HB MET 17 1HB MET 17 -10.961 2.287 5.971
123 1HG MET 17 2HG MET 17 -9.458 3.894 6.538
124 2HG MET 17 1HG MET 17 -8.164 3.178 5.580
125 1HE MET 17 1HE MET 17 -11.738 3.952 4.880
126 2HE MET 17 2HE MET 17 -11.740 4.987 3.453
127 3HE MET 17 3HE MET 17 -11.512 5.691 5.053
128 H LEU 18 H LEU 18 -8.434 -0.697 7.597
129 HA LEU 18 HA LEU 18 -7.683 0.974 9.739
130 1HB LEU 18 2HB LEU 18 -9.322 0.336 11.389
131 2HB LEU 18 1HB LEU 18 -10.121 1.089 10.021
132 HG LEU 18 HG LEU 18 -10.135 -1.674 9.485
133 1HD1 LEU 18 1HD1 LEU 18 -10.669 -2.807 11.357
134 2HD1 LEU 18 2HD1 LEU 18 -11.488 -1.429 12.090
135 3HD1 LEU 18 3HD1 LEU 18 -9.729 -1.537 12.139
136 1HD2 LEU 18 1HD2 LEU 18 -11.973 -0.596 8.703
137 2HD2 LEU 18 2HD2 LEU 18 -12.091 0.460 10.111
138 3HD2 LEU 18 3HD2 LEU 18 -12.655 -1.207 10.211
139 H GLY 19 H GLY 19 -5.949 -0.593 8.820
140 1HA GLY 19 2HA GLY 19 -5.764 -2.796 10.722
141 2HA GLY 19 1HA GLY 19 -5.747 -3.238 9.025
142 H ASP 20 H ASP 20 -3.817 -3.513 8.182
143 HA ASP 20 HA ASP 20 -1.421 -3.246 9.470
144 1HB ASP 20 2HB ASP 20 -1.699 -2.958 6.485
145 2HB ASP 20 1HB ASP 20 -0.357 -3.645 7.386
146 H LEU 21 H LEU 21 0.464 -1.973 8.349
147 HA LEU 21 HA LEU 21 -0.206 0.827 7.887
148 1HB LEU 21 2HB LEU 21 0.030 0.797 10.275
149 2HB LEU 21 1HB LEU 21 1.504 -0.148 10.173
150 HG LEU 21 HG LEU 21 2.709 1.729 9.243
151 1HD1 LEU 21 1HD1 LEU 21 -0.012 2.958 9.107
152 2HD1 LEU 21 2HD1 LEU 21 1.247 2.881 7.873
153 3HD1 LEU 21 3HD1 LEU 21 1.421 3.976 9.244
154 1HD2 LEU 21 1HD2 LEU 21 3.022 2.744 11.225
155 2HD2 LEU 21 2HD2 LEU 21 1.888 1.528 11.813
156 3HD2 LEU 21 3HD2 LEU 21 1.314 3.146 11.408
157 H ILE 22 H ILE 22 0.644 0.815 5.882
158 HA ILE 22 HA ILE 22 3.332 -0.230 5.435
159 HB ILE 22 HB ILE 22 1.876 -0.919 3.746
160 1HG1 ILE 22 2HG1 ILE 22 4.040 0.377 3.023
161 2HG1 ILE 22 1HG1 ILE 22 2.897 -0.232 1.835
162 1HG2 ILE 22 1HG2 ILE 22 0.802 1.870 3.784
163 2HG2 ILE 22 2HG2 ILE 22 -0.051 0.352 4.065
164 3HG2 ILE 22 3HG2 ILE 22 0.491 0.772 2.442
165 1HD1 ILE 22 1HD1 ILE 22 3.832 2.239 1.777
166 2HD1 ILE 22 2HD1 ILE 22 2.451 2.512 2.835
167 3HD1 ILE 22 3HD1 ILE 22 2.214 1.826 1.228
168 H CYS 23 H CYS 23 4.956 1.036 4.335
169 HA CYS 23 HA CYS 23 4.689 3.933 4.896
170 1HB CYS 23 2HB CYS 23 7.366 2.612 4.668
171 2HB CYS 23 1HB CYS 23 6.906 4.042 5.582
172 H ALA 24 H ALA 24 3.824 4.340 2.817
173 HA ALA 24 HA ALA 24 5.343 3.542 0.496
174 1HB ALA 24 1HB ALA 24 3.504 5.077 -0.603
175 2HB ALA 24 2HB ALA 24 2.715 4.808 0.951
176 3HB ALA 24 3HB ALA 24 3.157 3.435 -0.063
177 H VAL 25 H VAL 25 6.702 4.664 -0.656
178 HA VAL 25 HA VAL 25 6.878 7.567 -0.253
179 HB VAL 25 HB VAL 25 8.721 6.310 0.930
180 1HG1 VAL 25 1HG1 VAL 25 10.637 5.725 -0.729
181 2HG1 VAL 25 2HG1 VAL 25 9.322 5.499 -1.878
182 3HG1 VAL 25 3HG1 VAL 25 9.371 4.546 -0.396
183 1HG2 VAL 25 1HG2 VAL 25 10.226 8.006 0.555
184 2HG2 VAL 25 2HG2 VAL 25 8.737 8.720 -0.066
185 3HG2 VAL 25 3HG2 VAL 25 9.922 8.037 -1.182
186 H ILE 26 H ILE 26 7.521 8.756 -2.038
187 HA ILE 26 HA ILE 26 7.881 7.366 -4.575
188 HB ILE 26 HB ILE 26 6.133 9.344 -5.341
189 1HG1 ILE 26 2HG1 ILE 26 5.497 9.528 -2.883
190 2HG1 ILE 26 1HG1 ILE 26 4.173 9.262 -4.008
191 1HG2 ILE 26 1HG2 ILE 26 6.480 6.785 -5.891
192 2HG2 ILE 26 2HG2 ILE 26 5.007 7.647 -6.329
193 3HG2 ILE 26 3HG2 ILE 26 5.037 6.627 -4.891
194 1HD1 ILE 26 1HD1 ILE 26 5.063 7.666 -1.767
195 2HD1 ILE 26 2HD1 ILE 26 4.914 6.712 -3.243
196 3HD1 ILE 26 3HD1 ILE 26 3.534 7.635 -2.645
197 H GLY 27 H GLY 27 9.948 8.250 -4.523
198 1HA GLY 27 2HA GLY 27 11.540 9.736 -5.251
199 2HA GLY 27 1HA GLY 27 10.228 10.754 -5.824
200 H ASP 28 H ASP 28 8.915 11.601 -3.792
201 HA ASP 28 HA ASP 28 10.605 12.381 -1.587
202 1HB ASP 28 2HB ASP 28 10.226 14.820 -1.974
203 2HB ASP 28 1HB ASP 28 11.261 14.070 -3.186
204 H ALA 29 H ALA 29 8.031 10.957 -2.168
205 HA ALA 29 HA ALA 29 6.349 12.570 -0.358
206 1HB ALA 29 1HB ALA 29 5.705 11.517 -3.006
207 2HB ALA 29 2HB ALA 29 4.923 12.790 -2.069
208 3HB ALA 29 3HB ALA 29 4.521 11.099 -1.767
209 H LYS 30 H LYS 30 7.257 11.332 1.354
210 HA LYS 30 HA LYS 30 6.598 8.485 1.381
211 1HB LYS 30 2HB LYS 30 8.876 9.096 2.021
212 2HB LYS 30 1HB LYS 30 8.257 10.147 3.287
213 1HG LYS 30 2HG LYS 30 7.216 8.111 4.326
214 2HG LYS 30 1HG LYS 30 8.120 7.148 3.157
215 1HD LYS 30 2HD LYS 30 10.134 8.610 4.076
216 2HD LYS 30 1HD LYS 30 9.087 8.711 5.494
217 1HE LYS 30 2HE LYS 30 9.364 6.019 4.351
218 2HE LYS 30 1HE LYS 30 10.852 6.700 5.007
219 1HZ LYS 30 1HZ LYS 30 8.334 6.723 6.553
220 2HZ LYS 30 2HZ LYS 30 9.918 6.891 7.119
221 3HZ LYS 30 3HZ LYS 30 9.370 5.386 6.575
222 H GLU 31 H GLU 31 4.521 8.186 1.937
223 HA GLU 31 HA GLU 31 3.629 9.314 4.498
224 1HB GLU 31 2HB GLU 31 2.659 10.279 2.174
225 2HB GLU 31 1HB GLU 31 1.561 8.926 2.409
226 1HG GLU 31 2HG GLU 31 2.057 11.171 4.352
227 2HG GLU 31 1HG GLU 31 0.636 10.966 3.327
228 H GLU 32 H GLU 32 2.478 7.933 5.790
229 HA GLU 32 HA GLU 32 2.449 5.141 4.945
230 1HB GLU 32 2HB GLU 32 2.010 6.443 7.632
231 2HB GLU 32 1HB GLU 32 1.859 4.715 7.350
232 1HG GLU 32 2HG GLU 32 4.023 5.289 8.310
233 2HG GLU 32 1HG GLU 32 4.189 4.583 6.703
234 H HIS 33 H HIS 33 0.615 3.791 5.263
235 HA HIS 33 HA HIS 33 -1.955 4.948 5.814
236 1HB HIS 33 2HB HIS 33 -2.889 4.272 3.563
237 2HB HIS 33 1HB HIS 33 -1.847 5.692 3.558
238 HD1 HIS 33 1HD HIS 33 -2.300 2.474 1.955
239 HD2 HIS 33 2HD HIS 33 0.874 5.058 2.656
240 HE1 HIS 33 1HE HIS 33 -0.489 1.768 0.360
241 HE2 HIS 33 2HE HIS 33 1.334 3.459 0.681
242 H ARG 34 H ARG 34 -3.561 3.395 6.121
243 HA ARG 34 HA ARG 34 -2.544 0.769 6.744
244 1HB ARG 34 2HB ARG 34 -5.433 1.549 6.959
245 2HB ARG 34 1HB ARG 34 -4.516 0.417 7.944
246 1HG ARG 34 2HG ARG 34 -4.291 3.419 7.972
247 2HG ARG 34 1HG ARG 34 -5.002 2.395 9.222
248 1HD ARG 34 2HD ARG 34 -2.195 1.853 8.416
249 2HD ARG 34 1HD ARG 34 -2.508 3.299 9.375
250 HE ARG 34 HE ARG 34 -2.471 0.634 10.314
251 1HH1 ARG 34 1HH1 ARG 34 -4.203 3.640 10.700
252 2HH1 ARG 34 2HH1 ARG 34 -4.684 3.298 12.328
253 1HH2 ARG 34 1HH2 ARG 34 -3.103 0.183 12.454
254 2HH2 ARG 34 2HH2 ARG 34 -4.059 1.336 13.325
255 H ASN 35 H ASN 35 -4.576 2.208 4.277
256 HA ASN 35 HA ASN 35 -5.434 -0.369 3.269
257 1HB ASN 35 2HB ASN 35 -5.948 2.476 2.483
258 2HB ASN 35 1HB ASN 35 -6.321 1.176 1.357
259 1HD2 ASN 35 1HD2 ASN 35 -7.231 -0.776 3.063
260 2HD2 ASN 35 2HD2 ASN 35 -8.693 -0.247 3.815
261 H MET 36 H MET 36 -2.877 -0.697 3.180
262 HA MET 36 HA MET 36 -1.379 0.343 1.094
263 1HB MET 36 2HB MET 36 -0.574 -1.167 2.964
264 2HB MET 36 1HB MET 36 -1.216 -2.516 2.041
265 1HG MET 36 2HG MET 36 0.272 -1.843 0.158
266 2HG MET 36 1HG MET 36 0.999 -0.652 1.234
267 1HE MET 36 1HE MET 36 1.498 -4.248 -0.107
268 2HE MET 36 2HE MET 36 0.011 -4.320 0.840
269 3HE MET 36 3HE MET 36 1.441 -5.200 1.376
270 H CYS 37 H CYS 37 -3.976 -1.907 1.017
271 HA CYS 37 HA CYS 37 -3.408 -3.170 -1.425
272 1HB CYS 37 2HB CYS 37 -5.935 -2.709 0.130
273 2HB CYS 37 1HB CYS 37 -5.973 -3.498 -1.441
274 H ALA 38 H ALA 38 -5.904 -0.721 -0.855
275 HA ALA 38 HA ALA 38 -6.387 -0.132 -3.518
276 1HB ALA 38 1HB ALA 38 -7.497 0.661 -1.204
277 2HB ALA 38 2HB ALA 38 -7.816 1.439 -2.754
278 3HB ALA 38 3HB ALA 38 -6.631 2.132 -1.646
279 H LEU 39 H LEU 39 -3.676 0.770 -1.596
280 HA LEU 39 HA LEU 39 -2.987 3.009 -3.294
281 1HB LEU 39 2HB LEU 39 -2.271 2.069 -0.733
282 2HB LEU 39 1HB LEU 39 -0.804 2.143 -1.683
283 HG LEU 39 HG LEU 39 -2.070 4.561 -2.229
284 1HD1 LEU 39 1HD1 LEU 39 -2.010 5.034 0.528
285 2HD1 LEU 39 2HD1 LEU 39 -2.987 3.583 0.310
286 3HD1 LEU 39 3HD1 LEU 39 -3.412 5.067 -0.541
287 1HD2 LEU 39 1HD2 LEU 39 0.067 5.090 -1.927
288 2HD2 LEU 39 2HD2 LEU 39 0.361 3.589 -1.056
289 3HD2 LEU 39 3HD2 LEU 39 -0.196 5.019 -0.188
290 H CYS 40 H CYS 40 -1.982 -0.341 -2.825
291 HA CYS 40 HA CYS 40 0.201 -0.096 -4.655
292 1HB CYS 40 2HB CYS 40 0.286 -2.597 -4.506
293 2HB CYS 40 1HB CYS 40 0.421 -1.761 -2.966
294 H CYS 41 H CYS 41 -3.184 -0.829 -4.912
295 HA CYS 41 HA CYS 41 -2.903 -1.958 -7.564
296 1HB CYS 41 2HB CYS 41 -5.104 -2.525 -7.386
297 2HB CYS 41 1HB CYS 41 -4.712 -2.367 -5.691
298 H GLU 42 H GLU 42 -3.835 1.081 -6.107
299 HA GLU 42 HA GLU 42 -4.613 2.312 -8.586
300 1HB GLU 42 2HB GLU 42 -5.573 3.026 -6.441
301 2HB GLU 42 1HB GLU 42 -3.986 3.559 -5.905
302 1HG GLU 42 2HG GLU 42 -3.936 5.315 -7.488
303 2HG GLU 42 1HG GLU 42 -5.339 4.673 -8.343
304 H HIS 43 H HIS 43 -1.687 2.165 -6.668
305 HA HIS 43 HA HIS 43 -0.316 4.178 -8.234
306 1HB HIS 43 2HB HIS 43 0.523 2.368 -5.974
307 2HB HIS 43 1HB HIS 43 1.635 3.469 -6.774
308 HD1 HIS 43 1HD HIS 43 -0.149 5.927 -7.081
309 HD2 HIS 43 2HD HIS 43 0.078 3.668 -3.603
310 HE1 HIS 43 1HE HIS 43 -0.942 7.446 -5.245
311 HE2 HIS 43 2HE HIS 43 -0.962 6.002 -3.185
312 HA PRO 44 HA PRO 44 1.813 1.856 -11.279
313 1HB PRO 44 2HB PRO 44 4.446 2.217 -9.950
314 2HB PRO 44 1HB PRO 44 3.935 2.671 -11.580
315 1HG PRO 44 2HG PRO 44 4.248 4.529 -9.702
316 2HG PRO 44 1HG PRO 44 2.900 4.624 -10.853
317 1HD PRO 44 2HD PRO 44 2.898 3.707 -8.001
318 2HD PRO 44 1HD PRO 44 1.712 4.720 -8.850
319 H GLY 45 H GLY 45 0.766 -0.085 -10.309
320 1HA GLY 45 2HA GLY 45 0.835 -2.268 -9.599
321 2HA GLY 45 1HA GLY 45 2.492 -2.262 -10.189
322 H GLY 46 H GLY 46 1.715 0.025 -7.748
323 1HA GLY 46 2HA GLY 46 1.775 -0.444 -5.357
324 2HA GLY 46 1HA GLY 46 2.926 -1.721 -5.703
325 H PHE 47 H PHE 47 2.525 1.517 -4.830
326 HA PHE 47 HA PHE 47 4.759 2.818 -5.813
327 1HB PHE 47 2HB PHE 47 3.026 3.099 -3.438
328 2HB PHE 47 1HB PHE 47 4.624 3.807 -3.268
329 HD1 PHE 47 1HD PHE 47 4.166 4.165 -6.613
330 HD2 PHE 47 2HD PHE 47 2.514 5.591 -2.960
331 HE1 PHE 47 1HE PHE 47 3.382 6.188 -7.763
332 HE2 PHE 47 2HE PHE 47 1.727 7.618 -4.106
333 HZ PHE 47 HZ PHE 47 2.159 7.919 -6.510
334 H GLU 48 H GLU 48 6.498 3.607 -3.983
335 HA GLU 48 HA GLU 48 8.046 1.165 -3.485
336 1HB GLU 48 2HB GLU 48 9.230 3.657 -2.504
337 2HB GLU 48 1HB GLU 48 9.888 2.456 -3.602
338 1HG GLU 48 2HG GLU 48 7.998 3.714 -5.137
339 2HG GLU 48 1HG GLU 48 8.649 5.021 -4.154
340 H TYR 49 H TYR 49 6.091 0.778 -1.969
341 HA TYR 49 HA TYR 49 6.273 2.052 0.609
342 1HB TYR 49 2HB TYR 49 4.580 0.340 1.238
343 2HB TYR 49 1HB TYR 49 4.096 1.468 -0.015
344 HD1 TYR 49 1HD TYR 49 3.883 0.701 -2.327
345 HD2 TYR 49 2HD TYR 49 4.840 -1.976 0.827
346 HE1 TYR 49 1HE TYR 49 3.308 -1.191 -3.763
347 HE2 TYR 49 2HE TYR 49 4.270 -3.883 -0.598
348 HH TYR 49 HH TYR 49 2.786 -3.439 -3.746
349 H SER 50 H SER 50 6.489 0.887 2.546
350 HA SER 50 HA SER 50 8.067 -1.564 2.395
351 1HB SER 50 2HB SER 50 9.554 -0.576 4.238
352 2HB SER 50 1HB SER 50 9.825 -0.002 2.593
353 HG SER 50 HG SER 50 9.709 1.824 3.753
354 H ASN 51 H ASN 51 6.594 -2.847 3.318
355 HA ASN 51 HA ASN 51 4.685 -2.195 5.168
356 1HB ASN 51 2HB ASN 51 6.107 -4.851 5.063
357 2HB ASN 51 1HB ASN 51 4.497 -4.529 5.700
358 1HD2 ASN 51 1HD2 ASN 51 2.876 -4.950 4.393
359 2HD2 ASN 51 2HD2 ASN 51 2.949 -5.027 2.669
360 H GLY 52 H GLY 52 4.574 -1.829 7.240
361 1HA GLY 52 2HA GLY 52 5.678 -2.708 9.436
362 2HA GLY 52 1HA GLY 52 7.076 -1.865 8.783
363 HA PRO 53 HA PRO 53 4.156 1.090 11.089
364 1HB PRO 53 2HB PRO 53 5.081 1.029 13.605
365 2HB PRO 53 1HB PRO 53 3.888 -0.143 13.030
366 1HG PRO 53 2HG PRO 53 6.845 -0.461 13.373
367 2HG PRO 53 1HG PRO 53 5.543 -1.592 13.782
368 1HD PRO 53 2HD PRO 53 7.059 -1.760 11.501
369 2HD PRO 53 1HD PRO 53 5.410 -2.399 11.645
370 H CYS 54 H CYS 54 5.244 2.662 9.851
371 HA CYS 54 HA CYS 54 7.834 3.602 10.838
372 1HB CYS 54 2HB CYS 54 6.269 4.374 8.366
373 2HB CYS 54 1HB CYS 54 7.856 5.004 8.794
374 H GLU 55 H GLU 55 4.562 4.794 10.164
375 HA GLU 55 HA GLU 55 5.137 7.349 11.404
376 1HB GLU 55 2HB GLU 55 3.622 7.023 9.387
377 2HB GLU 55 1HB GLU 55 2.446 6.329 10.496
378 1HG GLU 55 2HG GLU 55 2.966 8.627 11.774
379 2HG GLU 55 1HG GLU 55 3.271 9.131 10.112
Start of MODEL 10
1 1H ALA 1 1H ALA 1 10.170 -0.136 -0.459
2 2H ALA 1 2H ALA 1 8.932 -1.322 -0.520
3 3H ALA 1 3H ALA 1 8.572 0.315 -0.883
4 HA ALA 1 HA ALA 1 10.010 0.219 -2.782
5 1HB ALA 1 1HB ALA 1 11.235 -1.824 -1.575
6 2HB ALA 1 2HB ALA 1 11.299 -1.564 -3.318
7 3HB ALA 1 3HB ALA 1 10.163 -2.730 -2.642
8 H HIS 2 H HIS 2 9.099 -0.271 -4.802
9 HA HIS 2 HA HIS 2 6.293 -0.730 -4.787
10 1HB HIS 2 2HB HIS 2 8.135 -0.779 -7.186
11 2HB HIS 2 1HB HIS 2 6.408 -0.450 -7.181
12 HD1 HIS 2 1HD HIS 2 5.672 1.897 -6.195
13 HD2 HIS 2 2HD HIS 2 9.759 1.398 -6.755
14 HE1 HIS 2 1HE HIS 2 6.651 4.211 -6.102
15 HE2 HIS 2 2HE HIS 2 9.114 3.892 -6.525
16 H MET 3 H MET 3 6.733 -2.856 -3.575
17 HA MET 3 HA MET 3 7.030 -5.031 -5.553
18 1HB MET 3 2HB MET 3 8.143 -4.672 -2.859
19 2HB MET 3 1HB MET 3 7.464 -6.266 -3.156
20 1HG MET 3 2HG MET 3 9.752 -6.386 -3.705
21 2HG MET 3 1HG MET 3 8.866 -6.374 -5.229
22 1HE MET 3 1HE MET 3 12.374 -3.925 -4.337
23 2HE MET 3 2HE MET 3 11.948 -5.615 -4.063
24 3HE MET 3 3HE MET 3 11.417 -4.376 -2.925
25 H ASP 4 H ASP 4 5.911 -5.442 -2.240
26 HA ASP 4 HA ASP 4 3.925 -7.215 -2.681
27 1HB ASP 4 2HB ASP 4 4.763 -5.683 -0.509
28 2HB ASP 4 1HB ASP 4 3.046 -5.320 -0.659
29 H CYS 5 H CYS 5 1.536 -6.999 -2.495
30 HA CYS 5 HA CYS 5 0.295 -4.571 -3.364
31 1HB CYS 5 2HB CYS 5 1.310 -6.058 -5.422
32 2HB CYS 5 1HB CYS 5 -0.331 -6.688 -5.310
33 H THR 6 H THR 6 -2.093 -5.534 -4.352
34 HA THR 6 HA THR 6 -3.605 -6.069 -2.164
35 HB THR 6 HB THR 6 -4.136 -7.141 -4.949
36 HG1 THR 6 1HG THR 6 -3.898 -5.022 -5.234
37 1HG2 THR 6 1HG2 THR 6 -6.262 -7.540 -4.392
38 2HG2 THR 6 2HG2 THR 6 -6.355 -6.133 -3.332
39 3HG2 THR 6 3HG2 THR 6 -5.634 -7.634 -2.747
40 H GLU 7 H GLU 7 -3.520 -8.817 -4.479
41 HA GLU 7 HA GLU 7 -2.097 -10.600 -2.902
42 1HB GLU 7 2HB GLU 7 -3.442 -11.115 -1.208
43 2HB GLU 7 1HB GLU 7 -4.607 -9.930 -1.778
44 1HG GLU 7 2HG GLU 7 -5.719 -11.589 -3.112
45 2HG GLU 7 1HG GLU 7 -4.489 -12.787 -2.710
46 H PHE 8 H PHE 8 -4.644 -10.008 -5.220
47 HA PHE 8 HA PHE 8 -3.694 -12.273 -6.793
48 1HB PHE 8 2HB PHE 8 -6.521 -12.094 -5.738
49 2HB PHE 8 1HB PHE 8 -6.080 -13.098 -7.111
50 HD1 PHE 8 1HD PHE 8 -3.633 -14.363 -6.390
51 HD2 PHE 8 2HD PHE 8 -6.971 -13.418 -3.927
52 HE1 PHE 8 1HE PHE 8 -3.022 -16.196 -4.866
53 HE2 PHE 8 2HE PHE 8 -6.365 -15.245 -2.395
54 HZ PHE 8 HZ PHE 8 -4.389 -16.638 -2.864
55 H ASN 9 H ASN 9 -6.121 -12.206 -8.501
56 HA ASN 9 HA ASN 9 -5.328 -10.103 -10.231
57 1HB ASN 9 2HB ASN 9 -7.991 -11.466 -10.487
58 2HB ASN 9 1HB ASN 9 -6.891 -10.935 -11.752
59 1HD2 ASN 9 1HD2 ASN 9 -5.542 -12.367 -12.616
60 2HD2 ASN 9 2HD2 ASN 9 -5.285 -13.973 -12.032
61 HA PRO 10 HA PRO 10 -9.401 -7.992 -8.749
62 1HB PRO 10 2HB PRO 10 -10.516 -8.895 -6.445
63 2HB PRO 10 1HB PRO 10 -10.976 -9.525 -8.031
64 1HG PRO 10 2HG PRO 10 -9.137 -10.694 -5.988
65 2HG PRO 10 1HG PRO 10 -10.338 -11.504 -7.009
66 1HD PRO 10 2HD PRO 10 -7.670 -11.505 -7.544
67 2HD PRO 10 1HD PRO 10 -8.913 -11.621 -8.804
68 H LEU 11 H LEU 11 -7.388 -6.792 -8.398
69 HA LEU 11 HA LEU 11 -5.886 -6.615 -6.115
70 1HB LEU 11 2HB LEU 11 -6.624 -4.108 -7.521
71 2HB LEU 11 1HB LEU 11 -5.073 -4.615 -6.885
72 HG LEU 11 HG LEU 11 -6.387 -5.522 -9.441
73 1HD1 LEU 11 1HD1 LEU 11 -4.890 -4.238 -10.527
74 2HD1 LEU 11 2HD1 LEU 11 -3.618 -4.528 -9.341
75 3HD1 LEU 11 3HD1 LEU 11 -4.878 -3.340 -9.009
76 1HD2 LEU 11 1HD2 LEU 11 -4.612 -7.072 -9.767
77 2HD2 LEU 11 2HD2 LEU 11 -5.300 -7.403 -8.177
78 3HD2 LEU 11 3HD2 LEU 11 -3.780 -6.520 -8.313
79 H CYS 12 H CYS 12 -5.969 -4.070 -5.214
80 HA CYS 12 HA CYS 12 -6.876 -3.942 -2.873
81 1HB CYS 12 2HB CYS 12 -7.504 -1.625 -3.004
82 2HB CYS 12 1HB CYS 12 -6.121 -1.946 -4.037
83 H ARG 13 H ARG 13 -8.363 -5.719 -2.977
84 HA ARG 13 HA ARG 13 -11.181 -4.945 -3.293
85 1HB ARG 13 2HB ARG 13 -10.647 -7.050 -4.334
86 2HB ARG 13 1HB ARG 13 -9.806 -7.613 -2.899
87 1HG ARG 13 2HG ARG 13 -12.592 -6.944 -2.385
88 2HG ARG 13 1HG ARG 13 -12.393 -8.206 -3.601
89 1HD ARG 13 2HD ARG 13 -10.577 -8.783 -1.521
90 2HD ARG 13 1HD ARG 13 -12.110 -8.378 -0.756
91 HE ARG 13 HE ARG 13 -11.614 -10.600 -2.601
92 1HH1 ARG 13 1HH1 ARG 13 -13.799 -8.905 -0.459
93 2HH1 ARG 13 2HH1 ARG 13 -14.920 -10.219 -0.369
94 1HH2 ARG 13 1HH2 ARG 13 -13.094 -12.320 -2.479
95 2HH2 ARG 13 2HH2 ARG 13 -14.521 -12.156 -1.513
96 H CYS 14 H CYS 14 -9.462 -3.874 -1.230
97 HA CYS 14 HA CYS 14 -10.838 -4.841 1.146
98 1HB CYS 14 2HB CYS 14 -8.367 -3.735 1.935
99 2HB CYS 14 1HB CYS 14 -8.856 -5.421 2.017
100 H ASN 15 H ASN 15 -10.156 -3.108 2.896
101 HA ASN 15 HA ASN 15 -10.060 -0.387 2.131
102 1HB ASN 15 2HB ASN 15 -12.624 -1.605 2.069
103 2HB ASN 15 1HB ASN 15 -12.582 -0.527 3.446
104 1HD2 ASN 15 1HD2 ASN 15 -10.832 1.402 2.422
105 2HD2 ASN 15 2HD2 ASN 15 -11.637 2.245 1.147
106 H LYS 16 H LYS 16 -11.426 -2.534 4.565
107 HA LYS 16 HA LYS 16 -11.572 -1.475 6.882
108 1HB LYS 16 2HB LYS 16 -10.586 -3.383 7.972
109 2HB LYS 16 1HB LYS 16 -11.405 -3.915 6.510
110 1HG LYS 16 2HG LYS 16 -8.587 -3.283 6.094
111 2HG LYS 16 1HG LYS 16 -8.858 -4.586 7.252
112 1HD LYS 16 2HD LYS 16 -9.972 -4.447 4.449
113 2HD LYS 16 1HD LYS 16 -8.615 -5.446 4.974
114 1HE LYS 16 2HE LYS 16 -10.117 -7.049 5.361
115 2HE LYS 16 1HE LYS 16 -10.624 -6.095 6.754
116 1HZ LYS 16 1HZ LYS 16 -12.602 -5.975 5.789
117 2HZ LYS 16 2HZ LYS 16 -12.032 -6.650 4.347
118 3HZ LYS 16 3HZ LYS 16 -11.919 -4.981 4.601
119 H MET 17 H MET 17 -10.204 0.527 6.035
120 HA MET 17 HA MET 17 -7.438 0.554 6.678
121 1HB MET 17 2HB MET 17 -7.800 3.074 6.774
122 2HB MET 17 1HB MET 17 -8.090 2.254 5.248
123 1HG MET 17 2HG MET 17 -10.487 2.381 6.852
124 2HG MET 17 1HG MET 17 -9.806 3.982 6.580
125 1HE MET 17 1HE MET 17 -12.818 2.552 3.995
126 2HE MET 17 2HE MET 17 -12.678 3.618 5.393
127 3HE MET 17 3HE MET 17 -12.394 1.886 5.571
128 H LEU 18 H LEU 18 -7.554 -0.536 8.690
129 HA LEU 18 HA LEU 18 -7.271 1.197 10.896
130 1HB LEU 18 2HB LEU 18 -9.107 -0.073 12.232
131 2HB LEU 18 1HB LEU 18 -9.539 1.298 11.229
132 HG LEU 18 HG LEU 18 -10.242 -0.270 9.440
133 1HD1 LEU 18 1HD1 LEU 18 -9.743 -2.379 11.536
134 2HD1 LEU 18 2HD1 LEU 18 -8.832 -2.163 10.042
135 3HD1 LEU 18 3HD1 LEU 18 -10.530 -2.634 9.979
136 1HD2 LEU 18 1HD2 LEU 18 -11.592 -0.762 12.091
137 2HD2 LEU 18 2HD2 LEU 18 -12.311 -0.942 10.491
138 3HD2 LEU 18 3HD2 LEU 18 -11.843 0.655 11.073
139 H GLY 19 H GLY 19 -5.370 -0.313 10.107
140 1HA GLY 19 2HA GLY 19 -5.035 -2.239 12.221
141 2HA GLY 19 1HA GLY 19 -5.166 -2.981 10.634
142 H ASP 20 H ASP 20 -3.431 -2.985 9.292
143 HA ASP 20 HA ASP 20 -0.879 -2.676 10.349
144 1HB ASP 20 2HB ASP 20 -1.424 -2.479 7.400
145 2HB ASP 20 1HB ASP 20 -0.053 -3.209 8.219
146 H LEU 21 H LEU 21 0.820 -1.333 9.065
147 HA LEU 21 HA LEU 21 -0.017 1.338 8.353
148 1HB LEU 21 2HB LEU 21 -0.008 1.781 10.646
149 2HB LEU 21 1HB LEU 21 1.349 0.715 10.949
150 HG LEU 21 HG LEU 21 2.917 2.298 10.209
151 1HD1 LEU 21 1HD1 LEU 21 1.806 4.555 9.278
152 2HD1 LEU 21 2HD1 LEU 21 0.636 3.377 8.684
153 3HD1 LEU 21 3HD1 LEU 21 2.337 3.232 8.241
154 1HD2 LEU 21 1HD2 LEU 21 2.214 2.953 12.344
155 2HD2 LEU 21 2HD2 LEU 21 0.689 3.598 11.736
156 3HD2 LEU 21 3HD2 LEU 21 2.200 4.436 11.388
157 H ILE 22 H ILE 22 0.970 0.692 6.420
158 HA ILE 22 HA ILE 22 3.749 0.007 6.347
159 HB ILE 22 HB ILE 22 2.771 -1.017 4.597
160 1HG1 ILE 22 2HG1 ILE 22 4.397 0.662 3.619
161 2HG1 ILE 22 1HG1 ILE 22 3.225 -0.055 2.522
162 1HG2 ILE 22 1HG2 ILE 22 0.903 -0.113 3.251
163 2HG2 ILE 22 2HG2 ILE 22 0.864 1.253 4.360
164 3HG2 ILE 22 3HG2 ILE 22 0.537 -0.377 4.955
165 1HD1 ILE 22 1HD1 ILE 22 2.923 2.079 1.885
166 2HD1 ILE 22 2HD1 ILE 22 3.501 2.729 3.408
167 3HD1 ILE 22 3HD1 ILE 22 1.858 2.133 3.282
168 H CYS 23 H CYS 23 5.273 1.255 4.909
169 HA CYS 23 HA CYS 23 4.866 4.161 5.261
170 1HB CYS 23 2HB CYS 23 7.652 3.208 5.043
171 2HB CYS 23 1HB CYS 23 6.962 4.436 6.096
172 H ALA 24 H ALA 24 4.058 4.513 3.196
173 HA ALA 24 HA ALA 24 5.504 3.498 0.917
174 1HB ALA 24 1HB ALA 24 3.559 5.353 0.072
175 2HB ALA 24 2HB ALA 24 2.863 4.442 1.412
176 3HB ALA 24 3HB ALA 24 3.496 3.592 0.002
177 H VAL 25 H VAL 25 6.183 4.845 -0.825
178 HA VAL 25 HA VAL 25 6.805 7.632 -0.299
179 HB VAL 25 HB VAL 25 9.065 5.775 -1.004
180 1HG1 VAL 25 1HG1 VAL 25 9.080 8.548 0.178
181 2HG1 VAL 25 2HG1 VAL 25 9.239 8.192 -1.542
182 3HG1 VAL 25 3HG1 VAL 25 10.468 7.631 -0.409
183 1HG2 VAL 25 1HG2 VAL 25 8.531 4.973 1.124
184 2HG2 VAL 25 2HG2 VAL 25 8.099 6.574 1.720
185 3HG2 VAL 25 3HG2 VAL 25 9.789 6.173 1.424
186 H ILE 26 H ILE 26 7.378 8.774 -2.156
187 HA ILE 26 HA ILE 26 7.385 7.304 -4.690
188 HB ILE 26 HB ILE 26 5.958 9.572 -5.352
189 1HG1 ILE 26 2HG1 ILE 26 5.498 9.852 -2.884
190 2HG1 ILE 26 1HG1 ILE 26 4.069 9.745 -3.901
191 1HG2 ILE 26 1HG2 ILE 26 5.804 7.170 -6.147
192 2HG2 ILE 26 2HG2 ILE 26 4.298 8.085 -6.077
193 3HG2 ILE 26 3HG2 ILE 26 4.678 6.912 -4.815
194 1HD1 ILE 26 1HD1 ILE 26 4.985 7.996 -1.753
195 2HD1 ILE 26 2HD1 ILE 26 4.446 7.140 -3.197
196 3HD1 ILE 26 3HD1 ILE 26 3.364 8.271 -2.385
197 H GLY 27 H GLY 27 9.576 7.807 -4.747
198 1HA GLY 27 2HA GLY 27 11.357 8.984 -5.608
199 2HA GLY 27 1HA GLY 27 10.220 10.241 -6.080
200 H ASP 28 H ASP 28 9.214 11.258 -3.958
201 HA ASP 28 HA ASP 28 11.078 11.637 -1.809
202 1HB ASP 28 2HB ASP 28 11.342 14.069 -2.159
203 2HB ASP 28 1HB ASP 28 12.063 13.137 -3.469
204 H ALA 29 H ALA 29 8.266 10.823 -2.344
205 HA ALA 29 HA ALA 29 6.976 12.791 -0.562
206 1HB ALA 29 1HB ALA 29 4.845 11.797 -1.876
207 2HB ALA 29 2HB ALA 29 6.060 11.732 -3.155
208 3HB ALA 29 3HB ALA 29 5.698 13.264 -2.358
209 H LYS 30 H LYS 30 7.503 11.496 1.228
210 HA LYS 30 HA LYS 30 6.744 8.745 1.359
211 1HB LYS 30 2HB LYS 30 8.313 10.515 2.897
212 2HB LYS 30 1HB LYS 30 7.029 9.966 3.963
213 1HG LYS 30 2HG LYS 30 7.624 7.640 3.467
214 2HG LYS 30 1HG LYS 30 8.930 8.210 2.427
215 1HD LYS 30 2HD LYS 30 8.776 9.129 5.268
216 2HD LYS 30 1HD LYS 30 9.437 7.537 4.893
217 1HE LYS 30 2HE LYS 30 11.379 8.462 4.347
218 2HE LYS 30 1HE LYS 30 10.583 9.415 3.096
219 1HZ LYS 30 1HZ LYS 30 10.316 11.207 4.518
220 2HZ LYS 30 2HZ LYS 30 11.855 10.636 4.928
221 3HZ LYS 30 3HZ LYS 30 10.531 10.278 5.917
222 H GLU 31 H GLU 31 4.952 7.820 2.296
223 HA GLU 31 HA GLU 31 3.034 9.373 3.770
224 1HB GLU 31 2HB GLU 31 2.618 8.747 0.896
225 2HB GLU 31 1HB GLU 31 1.241 8.525 1.966
226 1HG GLU 31 2HG GLU 31 0.832 10.694 1.934
227 2HG GLU 31 1HG GLU 31 2.447 11.031 2.560
228 H GLU 32 H GLU 32 1.971 8.092 5.162
229 HA GLU 32 HA GLU 32 2.294 5.196 4.845
230 1HB GLU 32 2HB GLU 32 1.592 6.885 7.240
231 2HB GLU 32 1HB GLU 32 1.560 5.129 7.246
232 1HG GLU 32 2HG GLU 32 3.623 5.957 8.212
233 2HG GLU 32 1HG GLU 32 3.940 5.071 6.723
234 H HIS 33 H HIS 33 0.575 3.765 5.140
235 HA HIS 33 HA HIS 33 -2.098 4.717 5.498
236 1HB HIS 33 2HB HIS 33 -2.948 3.942 3.308
237 2HB HIS 33 1HB HIS 33 -1.853 5.313 3.165
238 HD1 HIS 33 1HD HIS 33 0.736 4.530 2.575
239 HD2 HIS 33 2HD HIS 33 -2.355 1.926 1.618
240 HE1 HIS 33 1HE HIS 33 1.678 2.972 0.841
241 HE2 HIS 33 2HE HIS 33 -0.248 1.501 0.179
242 H ARG 34 H ARG 34 -3.581 3.048 5.839
243 HA ARG 34 HA ARG 34 -2.357 0.576 6.688
244 1HB ARG 34 2HB ARG 34 -5.307 0.830 6.701
245 2HB ARG 34 1HB ARG 34 -4.224 0.186 7.925
246 1HG ARG 34 2HG ARG 34 -4.788 3.088 7.353
247 2HG ARG 34 1HG ARG 34 -5.284 2.164 8.769
248 1HD ARG 34 2HD ARG 34 -2.389 2.202 8.191
249 2HD ARG 34 1HD ARG 34 -3.102 3.733 8.697
250 HE ARG 34 HE ARG 34 -3.740 1.434 10.343
251 1HH1 ARG 34 1HH1 ARG 34 -1.659 4.201 9.863
252 2HH1 ARG 34 2HH1 ARG 34 -1.165 4.271 11.521
253 1HH2 ARG 34 1HH2 ARG 34 -3.086 1.527 12.520
254 2HH2 ARG 34 2HH2 ARG 34 -1.972 2.752 13.028
255 H ASN 35 H ASN 35 -4.781 1.548 4.277
256 HA ASN 35 HA ASN 35 -5.049 -1.137 3.284
257 1HB ASN 35 2HB ASN 35 -6.526 1.267 3.055
258 2HB ASN 35 1HB ASN 35 -6.072 0.788 1.423
259 1HD2 ASN 35 1HD2 ASN 35 -6.878 -1.097 4.310
260 2HD2 ASN 35 2HD2 ASN 35 -8.173 -1.979 3.583
261 H MET 36 H MET 36 -2.682 -1.302 2.982
262 HA MET 36 HA MET 36 -1.294 0.080 0.988
263 1HB MET 36 2HB MET 36 0.389 -1.160 1.773
264 2HB MET 36 1HB MET 36 -0.767 -1.937 2.842
265 1HG MET 36 2HG MET 36 -1.193 -3.575 0.954
266 2HG MET 36 1HG MET 36 0.233 -2.890 0.175
267 1HE MET 36 1HE MET 36 -1.372 -4.599 2.957
268 2HE MET 36 2HE MET 36 -0.217 -4.277 4.250
269 3HE MET 36 3HE MET 36 -0.219 -5.843 3.440
270 H CYS 37 H CYS 37 -3.797 -2.233 0.708
271 HA CYS 37 HA CYS 37 -2.991 -3.232 -1.858
272 1HB CYS 37 2HB CYS 37 -5.239 -4.275 -1.920
273 2HB CYS 37 1HB CYS 37 -4.337 -4.668 -0.466
274 H ALA 38 H ALA 38 -5.448 -0.943 -0.721
275 HA ALA 38 HA ALA 38 -6.475 -0.233 -3.239
276 1HB ALA 38 1HB ALA 38 -7.414 0.293 -0.918
277 2HB ALA 38 2HB ALA 38 -7.573 1.529 -2.167
278 3HB ALA 38 3HB ALA 38 -6.319 1.676 -0.936
279 H LEU 39 H LEU 39 -3.620 0.738 -1.555
280 HA LEU 39 HA LEU 39 -3.119 3.004 -3.255
281 1HB LEU 39 2HB LEU 39 -2.155 1.969 -0.817
282 2HB LEU 39 1HB LEU 39 -0.781 2.100 -1.888
283 HG LEU 39 HG LEU 39 -2.005 4.519 -2.273
284 1HD1 LEU 39 1HD1 LEU 39 -2.028 4.819 0.539
285 2HD1 LEU 39 2HD1 LEU 39 -3.087 3.468 0.136
286 3HD1 LEU 39 3HD1 LEU 39 -3.353 5.048 -0.601
287 1HD2 LEU 39 1HD2 LEU 39 0.093 5.095 -1.830
288 2HD2 LEU 39 2HD2 LEU 39 0.394 3.508 -1.130
289 3HD2 LEU 39 3HD2 LEU 39 -0.193 4.824 -0.113
290 H CYS 40 H CYS 40 -2.004 -0.322 -2.990
291 HA CYS 40 HA CYS 40 -0.023 -0.060 -5.024
292 1HB CYS 40 2HB CYS 40 0.005 -1.823 -3.227
293 2HB CYS 40 1HB CYS 40 -1.318 -2.618 -4.074
294 H CYS 41 H CYS 41 -3.424 -0.859 -4.939
295 HA CYS 41 HA CYS 41 -3.483 -1.933 -7.595
296 1HB CYS 41 2HB CYS 41 -5.668 -2.363 -7.193
297 2HB CYS 41 1HB CYS 41 -5.150 -2.124 -5.538
298 H GLU 42 H GLU 42 -4.002 1.200 -6.151
299 HA GLU 42 HA GLU 42 -4.814 2.391 -8.679
300 1HB GLU 42 2HB GLU 42 -5.527 2.951 -6.151
301 2HB GLU 42 1HB GLU 42 -4.224 4.115 -6.345
302 1HG GLU 42 2HG GLU 42 -5.532 4.604 -8.607
303 2HG GLU 42 1HG GLU 42 -6.878 3.997 -7.644
304 H HIS 43 H HIS 43 -1.935 2.240 -6.687
305 HA HIS 43 HA HIS 43 -0.614 4.386 -8.099
306 1HB HIS 43 2HB HIS 43 0.260 2.477 -5.945
307 2HB HIS 43 1HB HIS 43 1.379 3.593 -6.713
308 HD1 HIS 43 1HD HIS 43 -0.367 6.086 -6.911
309 HD2 HIS 43 2HD HIS 43 -0.161 3.685 -3.527
310 HE1 HIS 43 1HE HIS 43 -1.111 7.547 -5.008
311 HE2 HIS 43 2HE HIS 43 -1.084 6.044 -2.990
312 HA PRO 44 HA PRO 44 1.554 2.254 -11.245
313 1HB PRO 44 2HB PRO 44 4.172 3.287 -10.445
314 2HB PRO 44 1HB PRO 44 3.187 3.707 -11.849
315 1HG PRO 44 2HG PRO 44 3.584 5.422 -9.800
316 2HG PRO 44 1HG PRO 44 2.076 5.389 -10.732
317 1HD PRO 44 2HD PRO 44 2.670 4.192 -8.045
318 2HD PRO 44 1HD PRO 44 1.231 5.086 -8.581
319 H GLY 45 H GLY 45 1.657 0.090 -11.008
320 1HA GLY 45 2HA GLY 45 2.396 -1.986 -10.336
321 2HA GLY 45 1HA GLY 45 3.989 -1.266 -10.517
322 H GLY 46 H GLY 46 1.764 0.009 -8.176
323 1HA GLY 46 2HA GLY 46 1.606 -0.393 -5.877
324 2HA GLY 46 1HA GLY 46 2.917 -1.554 -6.011
325 H PHE 47 H PHE 47 2.059 1.527 -4.984
326 HA PHE 47 HA PHE 47 4.273 3.113 -5.382
327 1HB PHE 47 2HB PHE 47 2.129 2.963 -3.395
328 2HB PHE 47 1HB PHE 47 3.616 3.623 -2.731
329 HD1 PHE 47 1HD PHE 47 2.136 5.640 -2.354
330 HD2 PHE 47 2HD PHE 47 3.217 4.273 -6.236
331 HE1 PHE 47 1HE PHE 47 1.562 7.841 -3.289
332 HE2 PHE 47 2HE PHE 47 2.648 6.471 -7.175
333 HZ PHE 47 HZ PHE 47 1.819 8.260 -5.700
334 H GLU 48 H GLU 48 6.058 3.643 -3.889
335 HA GLU 48 HA GLU 48 7.445 1.202 -3.157
336 1HB GLU 48 2HB GLU 48 8.677 3.062 -4.154
337 2HB GLU 48 1HB GLU 48 8.212 4.108 -2.823
338 1HG GLU 48 2HG GLU 48 9.938 3.459 -1.624
339 2HG GLU 48 1HG GLU 48 9.494 1.765 -1.809
340 H TYR 49 H TYR 49 6.188 0.392 -1.424
341 HA TYR 49 HA TYR 49 6.474 1.972 1.039
342 1HB TYR 49 2HB TYR 49 4.543 0.677 1.866
343 2HB TYR 49 1HB TYR 49 4.183 1.862 0.640
344 HD1 TYR 49 1HD TYR 49 4.936 -1.755 1.043
345 HD2 TYR 49 2HD TYR 49 2.865 1.240 -1.146
346 HE1 TYR 49 1HE TYR 49 3.779 -3.501 -0.228
347 HE2 TYR 49 2HE TYR 49 1.701 -0.491 -2.429
348 HH TYR 49 HH TYR 49 2.247 -3.019 -3.042
349 H SER 50 H SER 50 6.580 0.796 2.994
350 HA SER 50 HA SER 50 7.571 -1.945 2.818
351 1HB SER 50 2HB SER 50 9.469 -1.364 4.355
352 2HB SER 50 1HB SER 50 9.619 -0.676 2.738
353 HG SER 50 HG SER 50 8.680 0.672 5.054
354 H ASN 51 H ASN 51 5.977 -2.844 3.962
355 HA ASN 51 HA ASN 51 4.388 -1.800 5.891
356 1HB ASN 51 2HB ASN 51 5.441 -4.627 5.904
357 2HB ASN 51 1HB ASN 51 3.978 -4.054 6.698
358 1HD2 ASN 51 1HD2 ASN 51 5.496 -4.749 3.640
359 2HD2 ASN 51 2HD2 ASN 51 4.046 -4.788 2.703
360 H GLY 52 H GLY 52 4.457 -1.301 7.961
361 1HA GLY 52 2HA GLY 52 5.659 -2.117 10.132
362 2HA GLY 52 1HA GLY 52 7.062 -1.450 9.311
363 HA PRO 53 HA PRO 53 4.280 1.792 11.649
364 1HB PRO 53 2HB PRO 53 5.771 1.949 13.961
365 2HB PRO 53 1HB PRO 53 4.280 1.017 13.796
366 1HG PRO 53 2HG PRO 53 7.121 0.095 13.644
367 2HG PRO 53 1HG PRO 53 5.729 -0.684 14.419
368 1HD PRO 53 2HD PRO 53 6.654 -1.507 12.037
369 2HD PRO 53 1HD PRO 53 4.918 -1.513 12.410
370 H CYS 54 H CYS 54 4.886 3.613 10.674
371 HA CYS 54 HA CYS 54 7.652 4.545 11.049
372 1HB CYS 54 2HB CYS 54 6.028 4.527 8.509
373 2HB CYS 54 1HB CYS 54 7.424 5.578 8.725
374 H GLU 55 H GLU 55 4.402 5.567 9.994
375 HA GLU 55 HA GLU 55 4.896 8.301 10.754
376 1HB GLU 55 2HB GLU 55 3.458 7.818 8.846
377 2HB GLU 55 1HB GLU 55 2.360 6.907 9.874
378 1HG GLU 55 2HG GLU 55 1.498 8.799 10.862
379 2HG GLU 55 1HG GLU 55 2.926 9.767 10.498
Start of MODEL 11
1 1H ALA 1 1H ALA 1 8.892 -5.559 -9.036
2 2H ALA 1 2H ALA 1 8.893 -3.842 -8.991
3 3H ALA 1 3H ALA 1 7.810 -4.678 -10.028
4 HA ALA 1 HA ALA 1 6.458 -4.121 -8.342
5 1HB ALA 1 1HB ALA 1 6.370 -6.229 -6.830
6 2HB ALA 1 2HB ALA 1 7.620 -6.837 -7.913
7 3HB ALA 1 3HB ALA 1 6.044 -6.378 -8.556
8 H HIS 2 H HIS 2 6.102 -4.450 -5.842
9 HA HIS 2 HA HIS 2 8.432 -3.384 -4.406
10 1HB HIS 2 2HB HIS 2 5.830 -2.197 -4.872
11 2HB HIS 2 1HB HIS 2 6.235 -2.285 -3.159
12 HD1 HIS 2 1HD HIS 2 6.624 -0.112 -5.918
13 HD2 HIS 2 2HD HIS 2 9.112 -1.311 -2.820
14 HE1 HIS 2 1HE HIS 2 8.448 1.612 -5.819
15 HE2 HIS 2 2HE HIS 2 10.009 0.797 -4.018
16 H MET 3 H MET 3 6.960 -3.181 -2.023
17 HA MET 3 HA MET 3 7.540 -5.742 -0.969
18 1HB MET 3 2HB MET 3 6.700 -3.170 0.059
19 2HB MET 3 1HB MET 3 5.882 -4.478 0.901
20 1HG MET 3 2HG MET 3 7.766 -4.199 2.176
21 2HG MET 3 1HG MET 3 8.257 -5.498 1.090
22 1HE MET 3 1HE MET 3 9.897 -3.315 2.925
23 2HE MET 3 2HE MET 3 11.282 -2.872 1.927
24 3HE MET 3 3HE MET 3 10.849 -4.570 2.130
25 H ASP 4 H ASP 4 5.516 -6.362 0.806
26 HA ASP 4 HA ASP 4 3.860 -7.993 -0.752
27 1HB ASP 4 2HB ASP 4 4.034 -7.272 2.122
28 2HB ASP 4 1HB ASP 4 2.529 -8.002 1.573
29 H CYS 5 H CYS 5 2.124 -7.529 -1.919
30 HA CYS 5 HA CYS 5 0.791 -4.987 -1.650
31 1HB CYS 5 2HB CYS 5 0.317 -7.341 -3.492
32 2HB CYS 5 1HB CYS 5 -0.600 -5.840 -3.564
33 H THR 6 H THR 6 -1.775 -6.656 -2.566
34 HA THR 6 HA THR 6 -3.114 -6.427 -0.109
35 HB THR 6 HB THR 6 -3.850 -7.912 -2.643
36 HG1 THR 6 1HG THR 6 -3.771 -5.750 -3.030
37 1HG2 THR 6 1HG2 THR 6 -5.737 -7.062 -0.468
38 2HG2 THR 6 2HG2 THR 6 -5.116 -8.705 -0.633
39 3HG2 THR 6 3HG2 THR 6 -6.097 -8.000 -1.917
40 H GLU 7 H GLU 7 -2.712 -9.458 -1.976
41 HA GLU 7 HA GLU 7 -1.428 -10.926 0.000
42 1HB GLU 7 2HB GLU 7 -4.367 -10.711 0.237
43 2HB GLU 7 1HB GLU 7 -3.672 -12.311 0.460
44 1HG GLU 7 2HG GLU 7 -2.053 -10.629 1.943
45 2HG GLU 7 1HG GLU 7 -3.691 -10.039 2.220
46 H PHE 8 H PHE 8 -3.360 -10.752 -2.888
47 HA PHE 8 HA PHE 8 -2.084 -13.181 -3.840
48 1HB PHE 8 2HB PHE 8 -4.527 -13.977 -4.549
49 2HB PHE 8 1HB PHE 8 -3.824 -14.412 -3.001
50 HD1 PHE 8 1HD PHE 8 -5.853 -14.750 -1.831
51 HD2 PHE 8 2HD PHE 8 -5.120 -11.055 -3.812
52 HE1 PHE 8 1HE PHE 8 -7.778 -13.750 -0.671
53 HE2 PHE 8 2HE PHE 8 -7.045 -10.049 -2.654
54 HZ PHE 8 HZ PHE 8 -8.375 -11.398 -1.081
55 H ASN 9 H ASN 9 -3.942 -13.594 -6.027
56 HA ASN 9 HA ASN 9 -2.909 -11.690 -7.851
57 1HB ASN 9 2HB ASN 9 -5.279 -13.460 -8.429
58 2HB ASN 9 1HB ASN 9 -4.028 -12.904 -9.535
59 1HD2 ASN 9 1HD2 ASN 9 -2.146 -14.028 -9.710
60 2HD2 ASN 9 2HD2 ASN 9 -1.852 -15.533 -8.913
61 HA PRO 10 HA PRO 10 -7.425 -9.921 -7.851
62 1HB PRO 10 2HB PRO 10 -8.909 -10.503 -5.624
63 2HB PRO 10 1HB PRO 10 -9.034 -11.403 -7.138
64 1HG PRO 10 2HG PRO 10 -7.557 -12.093 -4.639
65 2HG PRO 10 1HG PRO 10 -8.481 -13.146 -5.724
66 1HD PRO 10 2HD PRO 10 -5.778 -13.029 -5.752
67 2HD PRO 10 1HD PRO 10 -6.735 -13.363 -7.207
68 H LEU 11 H LEU 11 -5.748 -8.370 -7.413
69 HA LEU 11 HA LEU 11 -4.633 -7.586 -5.084
70 1HB LEU 11 2HB LEU 11 -4.590 -5.270 -6.056
71 2HB LEU 11 1HB LEU 11 -3.892 -6.555 -7.010
72 HG LEU 11 HG LEU 11 -5.409 -4.726 -8.123
73 1HD1 LEU 11 1HD1 LEU 11 -6.208 -7.361 -9.115
74 2HD1 LEU 11 2HD1 LEU 11 -4.471 -7.149 -8.885
75 3HD1 LEU 11 3HD1 LEU 11 -5.365 -6.041 -9.926
76 1HD2 LEU 11 1HD2 LEU 11 -7.319 -5.143 -6.591
77 2HD2 LEU 11 2HD2 LEU 11 -7.487 -6.747 -7.302
78 3HD2 LEU 11 3HD2 LEU 11 -7.727 -5.312 -8.298
79 H CYS 12 H CYS 12 -5.163 -5.057 -4.474
80 HA CYS 12 HA CYS 12 -6.339 -4.842 -2.265
81 1HB CYS 12 2HB CYS 12 -7.012 -2.609 -2.575
82 2HB CYS 12 1HB CYS 12 -5.670 -2.885 -3.669
83 H ARG 13 H ARG 13 -7.641 -6.838 -2.486
84 HA ARG 13 HA ARG 13 -10.454 -6.317 -3.104
85 1HB ARG 13 2HB ARG 13 -8.778 -8.721 -2.729
86 2HB ARG 13 1HB ARG 13 -10.404 -8.842 -2.071
87 1HG ARG 13 2HG ARG 13 -9.673 -8.185 -4.916
88 2HG ARG 13 1HG ARG 13 -10.337 -9.709 -4.324
89 1HD ARG 13 2HD ARG 13 -11.997 -7.509 -3.502
90 2HD ARG 13 1HD ARG 13 -11.747 -7.467 -5.247
91 HE ARG 13 HE ARG 13 -13.238 -9.423 -3.749
92 1HH1 ARG 13 1HH1 ARG 13 -11.532 -8.769 -6.724
93 2HH1 ARG 13 2HH1 ARG 13 -12.381 -9.981 -7.624
94 1HH2 ARG 13 1HH2 ARG 13 -14.353 -11.022 -4.930
95 2HH2 ARG 13 2HH2 ARG 13 -13.982 -11.261 -6.606
96 H CYS 14 H CYS 14 -8.968 -5.002 -0.905
97 HA CYS 14 HA CYS 14 -10.588 -5.873 1.352
98 1HB CYS 14 2HB CYS 14 -8.785 -5.729 2.765
99 2HB CYS 14 1HB CYS 14 -7.895 -6.081 1.291
100 H ASN 15 H ASN 15 -10.394 -3.947 2.979
101 HA ASN 15 HA ASN 15 -10.334 -1.316 2.008
102 1HB ASN 15 2HB ASN 15 -12.658 -2.470 1.237
103 2HB ASN 15 1HB ASN 15 -13.125 -1.803 2.795
104 1HD2 ASN 15 1HD2 ASN 15 -11.105 0.326 2.597
105 2HD2 ASN 15 2HD2 ASN 15 -11.750 1.481 1.492
106 H LYS 16 H LYS 16 -12.506 -2.929 4.292
107 HA LYS 16 HA LYS 16 -11.875 -1.075 6.374
108 1HB LYS 16 2HB LYS 16 -14.037 -2.402 6.168
109 2HB LYS 16 1HB LYS 16 -13.135 -3.788 6.771
110 1HG LYS 16 2HG LYS 16 -14.090 -2.952 8.694
111 2HG LYS 16 1HG LYS 16 -12.490 -2.207 8.720
112 1HD LYS 16 2HD LYS 16 -14.444 -0.625 7.251
113 2HD LYS 16 1HD LYS 16 -14.901 -0.885 8.937
114 1HE LYS 16 2HE LYS 16 -12.510 -0.181 9.505
115 2HE LYS 16 1HE LYS 16 -12.419 0.406 7.845
116 1HZ LYS 16 1HZ LYS 16 -13.906 2.070 8.251
117 2HZ LYS 16 2HZ LYS 16 -13.180 1.966 9.776
118 3HZ LYS 16 3HZ LYS 16 -14.685 1.243 9.506
119 H MET 17 H MET 17 -9.616 -2.321 5.222
120 HA MET 17 HA MET 17 -8.406 -4.407 6.421
121 1HB MET 17 2HB MET 17 -7.595 -2.728 4.624
122 2HB MET 17 1HB MET 17 -6.938 -1.819 5.978
123 1HG MET 17 2HG MET 17 -5.176 -3.149 5.150
124 2HG MET 17 1HG MET 17 -5.708 -3.916 6.645
125 1HE MET 17 1HE MET 17 -6.369 -7.339 5.842
126 2HE MET 17 2HE MET 17 -7.750 -6.311 6.230
127 3HE MET 17 3HE MET 17 -6.185 -6.010 6.987
128 H LEU 18 H LEU 18 -7.013 -4.669 8.227
129 HA LEU 18 HA LEU 18 -7.966 -3.431 10.598
130 1HB LEU 18 2HB LEU 18 -5.891 -4.655 11.590
131 2HB LEU 18 1HB LEU 18 -7.254 -5.583 10.994
132 HG LEU 18 HG LEU 18 -6.089 -6.211 9.017
133 1HD1 LEU 18 1HD1 LEU 18 -5.046 -4.010 8.587
134 2HD1 LEU 18 2HD1 LEU 18 -3.930 -5.359 8.383
135 3HD1 LEU 18 3HD1 LEU 18 -3.853 -4.363 9.837
136 1HD2 LEU 18 1HD2 LEU 18 -4.177 -7.396 9.896
137 2HD2 LEU 18 2HD2 LEU 18 -5.491 -7.430 11.072
138 3HD2 LEU 18 3HD2 LEU 18 -4.128 -6.335 11.303
139 H GLY 19 H GLY 19 -7.437 -1.234 9.509
140 1HA GLY 19 2HA GLY 19 -5.913 0.543 9.152
141 2HA GLY 19 1HA GLY 19 -6.017 0.439 10.900
142 H ASP 20 H ASP 20 -4.187 -0.936 8.159
143 HA ASP 20 HA ASP 20 -1.988 -1.715 9.774
144 1HB ASP 20 2HB ASP 20 -1.690 -1.193 6.848
145 2HB ASP 20 1HB ASP 20 -0.995 -2.473 7.826
146 H LEU 21 H LEU 21 0.271 -0.909 9.158
147 HA LEU 21 HA LEU 21 0.278 2.013 8.997
148 1HB LEU 21 2HB LEU 21 2.058 2.015 10.651
149 2HB LEU 21 1HB LEU 21 0.608 1.255 11.277
150 HG LEU 21 HG LEU 21 2.836 -0.406 10.150
151 1HD1 LEU 21 1HD1 LEU 21 2.834 1.153 12.630
152 2HD1 LEU 21 2HD1 LEU 21 4.173 0.421 11.746
153 3HD1 LEU 21 3HD1 LEU 21 3.197 -0.560 12.839
154 1HD2 LEU 21 1HD2 LEU 21 1.242 -1.926 10.555
155 2HD2 LEU 21 2HD2 LEU 21 0.331 -0.836 11.601
156 3HD2 LEU 21 3HD2 LEU 21 1.708 -1.730 12.246
157 H ILE 22 H ILE 22 0.611 1.136 6.653
158 HA ILE 22 HA ILE 22 3.272 0.200 6.064
159 HB ILE 22 HB ILE 22 1.670 -0.593 4.541
160 1HG1 ILE 22 2HG1 ILE 22 3.825 0.660 3.614
161 2HG1 ILE 22 1HG1 ILE 22 2.661 -0.139 2.565
162 1HG2 ILE 22 1HG2 ILE 22 0.657 2.211 4.513
163 2HG2 ILE 22 2HG2 ILE 22 -0.219 0.706 4.798
164 3HG2 ILE 22 3HG2 ILE 22 0.310 1.126 3.168
165 1HD1 ILE 22 1HD1 ILE 22 1.792 1.835 1.798
166 2HD1 ILE 22 2HD1 ILE 22 3.483 2.267 2.037
167 3HD1 ILE 22 3HD1 ILE 22 2.279 2.734 3.233
168 H CYS 23 H CYS 23 4.900 1.316 5.002
169 HA CYS 23 HA CYS 23 4.687 4.257 5.216
170 1HB CYS 23 2HB CYS 23 6.390 3.294 6.700
171 2HB CYS 23 1HB CYS 23 7.160 2.511 5.325
172 H ALA 24 H ALA 24 3.746 4.422 3.138
173 HA ALA 24 HA ALA 24 5.220 3.411 0.888
174 1HB ALA 24 1HB ALA 24 3.293 4.859 -0.277
175 2HB ALA 24 2HB ALA 24 2.558 4.611 1.308
176 3HB ALA 24 3HB ALA 24 3.041 3.223 0.331
177 H VAL 25 H VAL 25 6.316 4.536 -0.605
178 HA VAL 25 HA VAL 25 6.587 7.432 -0.308
179 HB VAL 25 HB VAL 25 8.480 6.212 0.803
180 1HG1 VAL 25 1HG1 VAL 25 10.207 5.218 -0.610
181 2HG1 VAL 25 2HG1 VAL 25 9.182 5.453 -2.025
182 3HG1 VAL 25 3HG1 VAL 25 8.680 4.348 -0.747
183 1HG2 VAL 25 1HG2 VAL 25 8.574 8.553 -0.128
184 2HG2 VAL 25 2HG2 VAL 25 9.374 7.868 -1.542
185 3HG2 VAL 25 3HG2 VAL 25 10.128 7.739 0.047
186 H ILE 26 H ILE 26 7.089 8.537 -2.186
187 HA ILE 26 HA ILE 26 7.150 6.980 -4.674
188 HB ILE 26 HB ILE 26 5.689 9.306 -5.276
189 1HG1 ILE 26 2HG1 ILE 26 5.174 9.289 -2.779
190 2HG1 ILE 26 1HG1 ILE 26 3.784 9.291 -3.858
191 1HG2 ILE 26 1HG2 ILE 26 4.641 6.495 -5.029
192 2HG2 ILE 26 2HG2 ILE 26 5.637 7.070 -6.366
193 3HG2 ILE 26 3HG2 ILE 26 4.046 7.778 -6.085
194 1HD1 ILE 26 1HD1 ILE 26 4.254 7.561 -1.753
195 2HD1 ILE 26 2HD1 ILE 26 4.602 6.603 -3.193
196 3HD1 ILE 26 3HD1 ILE 26 3.032 7.387 -3.012
197 H GLY 27 H GLY 27 9.298 7.469 -4.911
198 1HA GLY 27 2HA GLY 27 11.043 8.629 -5.860
199 2HA GLY 27 1HA GLY 27 9.904 9.913 -6.241
200 H ASP 28 H ASP 28 9.055 10.924 -4.052
201 HA ASP 28 HA ASP 28 11.077 11.245 -2.032
202 1HB ASP 28 2HB ASP 28 10.333 13.608 -3.771
203 2HB ASP 28 1HB ASP 28 11.376 13.654 -2.352
204 H ALA 29 H ALA 29 8.208 10.479 -2.396
205 HA ALA 29 HA ALA 29 7.081 12.406 -0.463
206 1HB ALA 29 1HB ALA 29 6.103 11.777 -3.057
207 2HB ALA 29 2HB ALA 29 5.407 12.857 -1.849
208 3HB ALA 29 3HB ALA 29 4.960 11.151 -1.869
209 H LYS 30 H LYS 30 7.815 11.008 1.215
210 HA LYS 30 HA LYS 30 6.600 8.358 1.320
211 1HB LYS 30 2HB LYS 30 8.045 7.976 3.260
212 2HB LYS 30 1HB LYS 30 8.974 8.524 1.871
213 1HG LYS 30 2HG LYS 30 9.259 10.681 2.792
214 2HG LYS 30 1HG LYS 30 8.051 10.382 4.044
215 1HD LYS 30 2HD LYS 30 10.277 10.231 4.991
216 2HD LYS 30 1HD LYS 30 9.509 8.642 5.002
217 1HE LYS 30 2HE LYS 30 11.296 7.846 3.948
218 2HE LYS 30 1HE LYS 30 10.833 8.808 2.546
219 1HZ LYS 30 1HZ LYS 30 12.416 9.991 4.738
220 2HZ LYS 30 2HZ LYS 30 12.285 10.500 3.130
221 3HZ LYS 30 3HZ LYS 30 13.168 9.107 3.507
222 H GLU 31 H GLU 31 4.958 7.822 2.624
223 HA GLU 31 HA GLU 31 4.242 9.404 4.923
224 1HB GLU 31 2HB GLU 31 1.908 9.802 4.093
225 2HB GLU 31 1HB GLU 31 3.145 10.748 3.278
226 1HG GLU 31 2HG GLU 31 2.637 9.881 1.302
227 2HG GLU 31 1HG GLU 31 2.671 8.234 1.933
228 H GLU 32 H GLU 32 2.308 8.457 6.045
229 HA GLU 32 HA GLU 32 2.509 5.567 5.948
230 1HB GLU 32 2HB GLU 32 0.829 7.256 7.800
231 2HB GLU 32 1HB GLU 32 1.283 5.570 8.019
232 1HG GLU 32 2HG GLU 32 3.519 6.119 8.472
233 2HG GLU 32 1HG GLU 32 3.325 7.761 7.861
234 H HIS 33 H HIS 33 0.729 4.154 5.770
235 HA HIS 33 HA HIS 33 -1.787 5.253 4.793
236 1HB HIS 33 2HB HIS 33 0.075 4.517 2.945
237 2HB HIS 33 1HB HIS 33 -0.792 3.001 3.165
238 HD1 HIS 33 1HD HIS 33 -3.445 3.139 2.723
239 HD2 HIS 33 2HD HIS 33 -1.177 6.330 1.332
240 HE1 HIS 33 1HE HIS 33 -4.908 4.327 1.059
241 HE2 HIS 33 2HE HIS 33 -3.547 6.304 0.295
242 H ARG 34 H ARG 34 -3.542 3.828 4.972
243 HA ARG 34 HA ARG 34 -3.054 1.589 6.805
244 1HB ARG 34 2HB ARG 34 -5.173 3.571 6.493
245 2HB ARG 34 1HB ARG 34 -5.794 1.935 6.656
246 1HG ARG 34 2HG ARG 34 -5.700 2.491 8.847
247 2HG ARG 34 1HG ARG 34 -4.055 1.884 8.659
248 1HD ARG 34 2HD ARG 34 -4.525 4.751 8.071
249 2HD ARG 34 1HD ARG 34 -4.601 4.250 9.759
250 HE ARG 34 HE ARG 34 -2.279 3.166 8.690
251 1HH1 ARG 34 1HH1 ARG 34 -3.612 6.330 9.322
252 2HH1 ARG 34 2HH1 ARG 34 -2.066 7.075 9.550
253 1HH2 ARG 34 1HH2 ARG 34 -0.243 4.144 8.993
254 2HH2 ARG 34 2HH2 ARG 34 -0.154 5.834 9.365
255 H ASN 35 H ASN 35 -5.063 2.391 3.964
256 HA ASN 35 HA ASN 35 -5.690 -0.380 3.502
257 1HB ASN 35 2HB ASN 35 -6.221 2.059 1.792
258 2HB ASN 35 1HB ASN 35 -6.882 0.451 1.507
259 1HD2 ASN 35 1HD2 ASN 35 -7.498 -0.299 4.099
260 2HD2 ASN 35 2HD2 ASN 35 -8.769 0.709 4.691
261 H MET 36 H MET 36 -3.204 -0.649 3.530
262 HA MET 36 HA MET 36 -1.529 0.005 1.465
263 1HB MET 36 2HB MET 36 -0.639 -1.082 3.366
264 2HB MET 36 1HB MET 36 -1.726 -2.450 3.194
265 1HG MET 36 2HG MET 36 -0.512 -2.972 1.034
266 2HG MET 36 1HG MET 36 0.680 -1.774 1.530
267 1HE MET 36 1HE MET 36 -0.277 -5.543 4.005
268 2HE MET 36 2HE MET 36 -1.305 -4.871 2.740
269 3HE MET 36 3HE MET 36 -1.127 -4.021 4.276
270 H CYS 37 H CYS 37 -4.201 -2.233 1.425
271 HA CYS 37 HA CYS 37 -3.399 -3.735 -0.831
272 1HB CYS 37 2HB CYS 37 -6.305 -3.243 -0.437
273 2HB CYS 37 1HB CYS 37 -5.458 -4.744 -0.761
274 H ALA 38 H ALA 38 -5.859 -1.183 -0.629
275 HA ALA 38 HA ALA 38 -6.262 -0.790 -3.326
276 1HB ALA 38 1HB ALA 38 -7.265 0.354 -1.118
277 2HB ALA 38 2HB ALA 38 -7.488 1.015 -2.737
278 3HB ALA 38 3HB ALA 38 -6.229 1.664 -1.686
279 H LEU 39 H LEU 39 -3.493 0.029 -1.450
280 HA LEU 39 HA LEU 39 -2.482 2.054 -3.193
281 1HB LEU 39 2HB LEU 39 -1.922 1.481 -0.722
282 2HB LEU 39 1HB LEU 39 -0.756 0.387 -1.426
283 HG LEU 39 HG LEU 39 0.380 2.210 -2.532
284 1HD1 LEU 39 1HD1 LEU 39 -1.187 3.767 -3.162
285 2HD1 LEU 39 2HD1 LEU 39 -0.407 4.580 -1.805
286 3HD1 LEU 39 3HD1 LEU 39 -1.966 3.785 -1.580
287 1HD2 LEU 39 1HD2 LEU 39 0.732 3.659 -0.310
288 2HD2 LEU 39 2HD2 LEU 39 1.419 2.049 -0.535
289 3HD2 LEU 39 3HD2 LEU 39 -0.073 2.251 0.383
290 H CYS 40 H CYS 40 -1.609 -1.351 -2.674
291 HA CYS 40 HA CYS 40 0.305 -1.347 -4.766
292 1HB CYS 40 2HB CYS 40 -0.445 -3.145 -2.756
293 2HB CYS 40 1HB CYS 40 -0.764 -3.988 -4.269
294 H CYS 41 H CYS 41 -3.104 -1.640 -4.661
295 HA CYS 41 HA CYS 41 -3.229 -2.843 -7.307
296 1HB CYS 41 2HB CYS 41 -5.315 -3.449 -6.789
297 2HB CYS 41 1HB CYS 41 -4.815 -3.118 -5.149
298 H GLU 42 H GLU 42 -3.865 0.207 -5.707
299 HA GLU 42 HA GLU 42 -4.708 1.417 -8.242
300 1HB GLU 42 2HB GLU 42 -5.961 1.665 -6.001
301 2HB GLU 42 1HB GLU 42 -4.706 2.829 -5.598
302 1HG GLU 42 2HG GLU 42 -5.307 4.000 -7.769
303 2HG GLU 42 1HG GLU 42 -6.738 2.970 -7.799
304 H HIS 43 H HIS 43 -1.776 0.879 -7.213
305 HA HIS 43 HA HIS 43 -0.711 3.559 -7.148
306 1HB HIS 43 2HB HIS 43 1.505 2.423 -7.195
307 2HB HIS 43 1HB HIS 43 0.458 1.893 -5.888
308 HD1 HIS 43 1HD HIS 43 -0.063 0.469 -9.314
309 HD2 HIS 43 2HD HIS 43 1.791 -0.546 -5.736
310 HE1 HIS 43 1HE HIS 43 0.542 -1.960 -9.538
311 HE2 HIS 43 2HE HIS 43 1.734 -2.533 -7.395
312 HA PRO 44 HA PRO 44 0.062 4.300 -11.400
313 1HB PRO 44 2HB PRO 44 2.905 4.898 -10.961
314 2HB PRO 44 1HB PRO 44 1.594 5.977 -11.447
315 1HG PRO 44 2HG PRO 44 2.721 6.115 -9.005
316 2HG PRO 44 1HG PRO 44 1.002 6.458 -9.272
317 1HD PRO 44 2HD PRO 44 2.296 3.974 -8.200
318 2HD PRO 44 1HD PRO 44 0.823 4.802 -7.649
319 H GLY 45 H GLY 45 3.257 3.095 -10.418
320 1HA GLY 45 2HA GLY 45 2.905 0.824 -12.256
321 2HA GLY 45 1HA GLY 45 4.324 1.853 -12.401
322 H GLY 46 H GLY 46 3.208 1.484 -9.215
323 1HA GLY 46 2HA GLY 46 3.828 -0.650 -7.964
324 2HA GLY 46 1HA GLY 46 5.413 -0.393 -8.678
325 H PHE 47 H PHE 47 2.982 1.206 -6.640
326 HA PHE 47 HA PHE 47 4.577 3.239 -5.614
327 1HB PHE 47 2HB PHE 47 2.046 1.990 -4.940
328 2HB PHE 47 1HB PHE 47 2.938 2.420 -3.489
329 HD1 PHE 47 1HD PHE 47 3.255 4.336 -6.595
330 HD2 PHE 47 2HD PHE 47 1.363 4.080 -2.794
331 HE1 PHE 47 1HE PHE 47 2.481 6.660 -6.832
332 HE2 PHE 47 2HE PHE 47 0.588 6.405 -3.020
333 HZ PHE 47 HZ PHE 47 1.144 7.698 -5.042
334 H GLU 48 H GLU 48 5.980 3.390 -3.896
335 HA GLU 48 HA GLU 48 7.104 0.841 -2.994
336 1HB GLU 48 2HB GLU 48 8.602 2.669 -3.809
337 2HB GLU 48 1HB GLU 48 8.058 3.664 -2.470
338 1HG GLU 48 2HG GLU 48 9.163 2.389 -0.895
339 2HG GLU 48 1HG GLU 48 9.257 0.981 -1.952
340 H TYR 49 H TYR 49 7.052 0.119 -0.934
341 HA TYR 49 HA TYR 49 6.165 1.853 1.209
342 1HB TYR 49 2HB TYR 49 4.342 0.360 1.899
343 2HB TYR 49 1HB TYR 49 3.997 1.283 0.455
344 HD1 TYR 49 1HD TYR 49 3.908 0.151 -1.720
345 HD2 TYR 49 2HD TYR 49 4.507 -1.984 1.901
346 HE1 TYR 49 1HE TYR 49 3.310 -1.928 -2.851
347 HE2 TYR 49 2HE TYR 49 3.918 -4.077 0.789
348 HH TYR 49 HH TYR 49 3.760 -4.396 -2.542
349 H SER 50 H SER 50 6.175 0.868 3.241
350 HA SER 50 HA SER 50 7.600 -1.665 3.470
351 1HB SER 50 2HB SER 50 8.683 0.437 5.220
352 2HB SER 50 1HB SER 50 9.515 -0.849 4.347
353 HG SER 50 HG SER 50 8.561 1.591 3.258
354 H ASN 51 H ASN 51 5.883 -2.597 4.465
355 HA ASN 51 HA ASN 51 4.103 -1.533 6.224
356 1HB ASN 51 2HB ASN 51 5.140 -4.312 6.671
357 2HB ASN 51 1HB ASN 51 3.507 -3.689 6.882
358 1HD2 ASN 51 1HD2 ASN 51 3.560 -2.247 4.332
359 2HD2 ASN 51 2HD2 ASN 51 3.401 -3.447 3.102
360 H GLY 52 H GLY 52 4.004 -0.966 8.268
361 1HA GLY 52 2HA GLY 52 4.629 -1.144 10.575
362 2HA GLY 52 1HA GLY 52 6.228 -1.663 10.067
363 HA PRO 53 HA PRO 53 6.407 2.828 11.349
364 1HB PRO 53 2HB PRO 53 8.758 2.548 12.717
365 2HB PRO 53 1HB PRO 53 7.165 2.339 13.453
366 1HG PRO 53 2HG PRO 53 9.069 0.264 12.437
367 2HG PRO 53 1HG PRO 53 8.102 0.264 13.925
368 1HD PRO 53 2HD PRO 53 7.359 -1.132 11.749
369 2HD PRO 53 1HD PRO 53 6.168 -0.358 12.814
370 H CYS 54 H CYS 54 7.569 4.379 10.314
371 HA CYS 54 HA CYS 54 10.145 4.222 9.327
372 1HB CYS 54 2HB CYS 54 9.798 2.613 7.732
373 2HB CYS 54 1HB CYS 54 8.095 3.003 7.552
374 H GLU 55 H GLU 55 6.877 5.408 8.759
375 HA GLU 55 HA GLU 55 8.017 8.035 8.060
376 1HB GLU 55 2HB GLU 55 6.008 6.471 6.762
377 2HB GLU 55 1HB GLU 55 5.262 7.942 7.372
378 1HG GLU 55 2HG GLU 55 7.743 7.885 5.672
379 2HG GLU 55 1HG GLU 55 6.110 8.104 5.044
Start of MODEL 12
1 1H ALA 1 1H ALA 1 3.932 -2.076 -4.373
2 2H ALA 1 2H ALA 1 4.871 -1.487 -5.678
3 3H ALA 1 3H ALA 1 3.877 -0.413 -4.780
4 HA ALA 1 HA ALA 1 5.852 0.035 -3.868
5 1HB ALA 1 1HB ALA 1 4.922 -2.362 -2.303
6 2HB ALA 1 2HB ALA 1 4.323 -0.713 -2.122
7 3HB ALA 1 3HB ALA 1 5.997 -1.092 -1.717
8 H HIS 2 H HIS 2 7.784 -1.171 -2.582
9 HA HIS 2 HA HIS 2 9.077 -2.726 -4.669
10 1HB HIS 2 2HB HIS 2 10.003 -0.663 -3.000
11 2HB HIS 2 1HB HIS 2 10.831 -2.116 -2.457
12 HD1 HIS 2 1HD HIS 2 10.054 -0.640 -5.889
13 HD2 HIS 2 2HD HIS 2 13.185 -2.331 -3.743
14 HE1 HIS 2 1HE HIS 2 12.018 -0.647 -7.459
15 HE2 HIS 2 2HE HIS 2 13.871 -1.770 -6.172
16 H MET 3 H MET 3 7.116 -3.839 -3.087
17 HA MET 3 HA MET 3 8.460 -6.261 -2.323
18 1HB MET 3 2HB MET 3 7.402 -4.413 -0.232
19 2HB MET 3 1HB MET 3 7.194 -6.140 0.011
20 1HG MET 3 2HG MET 3 9.804 -4.701 -0.392
21 2HG MET 3 1HG MET 3 9.186 -5.357 1.121
22 1HE MET 3 1HE MET 3 11.787 -5.530 -0.483
23 2HE MET 3 2HE MET 3 11.718 -6.605 -1.879
24 3HE MET 3 3HE MET 3 12.361 -7.192 -0.346
25 H ASP 4 H ASP 4 5.561 -5.863 -0.564
26 HA ASP 4 HA ASP 4 4.183 -7.729 -2.241
27 1HB ASP 4 2HB ASP 4 4.070 -7.528 0.331
28 2HB ASP 4 1HB ASP 4 2.950 -6.199 0.046
29 H CYS 5 H CYS 5 2.288 -7.385 -3.443
30 HA CYS 5 HA CYS 5 1.123 -4.770 -3.605
31 1HB CYS 5 2HB CYS 5 3.339 -4.991 -5.106
32 2HB CYS 5 1HB CYS 5 2.164 -5.640 -6.243
33 H THR 6 H THR 6 -0.943 -4.829 -4.292
34 HA THR 6 HA THR 6 -2.308 -7.251 -4.575
35 HB THR 6 HB THR 6 -3.952 -5.498 -5.864
36 HG1 THR 6 1HG THR 6 -3.105 -3.594 -5.761
37 1HG2 THR 6 1HG2 THR 6 -4.381 -4.711 -3.309
38 2HG2 THR 6 2HG2 THR 6 -3.532 -6.239 -3.068
39 3HG2 THR 6 3HG2 THR 6 -5.011 -6.192 -4.029
40 H GLU 7 H GLU 7 -0.877 -5.085 -7.056
41 HA GLU 7 HA GLU 7 -1.757 -5.542 -9.419
42 1HB GLU 7 2HB GLU 7 0.692 -4.934 -8.592
43 2HB GLU 7 1HB GLU 7 1.030 -6.550 -9.197
44 1HG GLU 7 2HG GLU 7 -0.471 -5.365 -11.204
45 2HG GLU 7 1HG GLU 7 0.601 -4.085 -10.638
46 H PHE 8 H PHE 8 -3.225 -7.320 -9.337
47 HA PHE 8 HA PHE 8 -2.173 -9.656 -10.619
48 1HB PHE 8 2HB PHE 8 -2.183 -9.807 -7.884
49 2HB PHE 8 1HB PHE 8 -3.765 -10.471 -8.275
50 HD1 PHE 8 1HD PHE 8 -3.907 -12.733 -8.623
51 HD2 PHE 8 2HD PHE 8 -0.221 -10.757 -9.405
52 HE1 PHE 8 1HE PHE 8 -2.863 -14.898 -9.151
53 HE2 PHE 8 2HE PHE 8 0.830 -12.918 -9.936
54 HZ PHE 8 HZ PHE 8 -0.492 -14.992 -9.810
55 H ASN 9 H ASN 9 -4.584 -11.246 -9.891
56 HA ASN 9 HA ASN 9 -6.332 -10.165 -11.859
57 1HB ASN 9 2HB ASN 9 -6.131 -12.614 -10.307
58 2HB ASN 9 1HB ASN 9 -7.799 -12.067 -10.439
59 1HD2 ASN 9 1HD2 ASN 9 -5.401 -13.826 -11.889
60 2HD2 ASN 9 2HD2 ASN 9 -6.047 -13.910 -13.489
61 HA PRO 10 HA PRO 10 -9.106 -8.850 -8.266
62 1HB PRO 10 2HB PRO 10 -8.874 -9.866 -5.830
63 2HB PRO 10 1HB PRO 10 -9.473 -10.871 -7.157
64 1HG PRO 10 2HG PRO 10 -6.794 -10.854 -5.853
65 2HG PRO 10 1HG PRO 10 -7.713 -12.216 -6.514
66 1HD PRO 10 2HD PRO 10 -5.632 -10.785 -7.796
67 2HD PRO 10 1HD PRO 10 -6.708 -11.988 -8.529
68 H LEU 11 H LEU 11 -7.660 -6.921 -8.667
69 HA LEU 11 HA LEU 11 -5.581 -6.123 -7.020
70 1HB LEU 11 2HB LEU 11 -7.684 -4.470 -8.407
71 2HB LEU 11 1HB LEU 11 -6.284 -3.775 -7.612
72 HG LEU 11 HG LEU 11 -5.599 -5.861 -9.548
73 1HD1 LEU 11 1HD1 LEU 11 -5.972 -3.926 -11.360
74 2HD1 LEU 11 2HD1 LEU 11 -7.371 -3.633 -10.326
75 3HD1 LEU 11 3HD1 LEU 11 -7.139 -5.216 -11.067
76 1HD2 LEU 11 1HD2 LEU 11 -4.209 -4.000 -8.294
77 2HD2 LEU 11 2HD2 LEU 11 -4.674 -3.042 -9.699
78 3HD2 LEU 11 3HD2 LEU 11 -3.773 -4.543 -9.914
79 H CYS 12 H CYS 12 -5.761 -4.087 -5.552
80 HA CYS 12 HA CYS 12 -6.344 -4.534 -3.112
81 1HB CYS 12 2HB CYS 12 -6.985 -2.270 -2.665
82 2HB CYS 12 1HB CYS 12 -5.760 -2.301 -3.922
83 H ARG 13 H ARG 13 -7.902 -6.318 -3.591
84 HA ARG 13 HA ARG 13 -10.710 -5.498 -3.384
85 1HB ARG 13 2HB ARG 13 -9.806 -7.473 -4.834
86 2HB ARG 13 1HB ARG 13 -9.744 -8.347 -3.310
87 1HG ARG 13 2HG ARG 13 -11.844 -8.932 -3.762
88 2HG ARG 13 1HG ARG 13 -12.266 -7.290 -3.269
89 1HD ARG 13 2HD ARG 13 -11.833 -8.346 -6.050
90 2HD ARG 13 1HD ARG 13 -13.299 -7.643 -5.369
91 HE ARG 13 HE ARG 13 -11.205 -5.756 -5.281
92 1HH1 ARG 13 1HH1 ARG 13 -13.335 -7.336 -7.550
93 2HH1 ARG 13 2HH1 ARG 13 -13.306 -6.025 -8.681
94 1HH2 ARG 13 1HH2 ARG 13 -11.168 -4.030 -6.765
95 2HH2 ARG 13 2HH2 ARG 13 -12.075 -4.148 -8.236
96 H CYS 14 H CYS 14 -9.105 -4.704 -1.327
97 HA CYS 14 HA CYS 14 -10.233 -6.161 0.924
98 1HB CYS 14 2HB CYS 14 -7.735 -5.682 1.879
99 2HB CYS 14 1HB CYS 14 -8.244 -7.215 1.181
100 H ASN 15 H ASN 15 -11.264 -4.671 2.078
101 HA ASN 15 HA ASN 15 -10.099 -1.965 2.276
102 1HB ASN 15 2HB ASN 15 -12.706 -2.826 1.602
103 2HB ASN 15 1HB ASN 15 -12.809 -1.979 3.125
104 1HD2 ASN 15 1HD2 ASN 15 -10.729 -0.183 2.807
105 2HD2 ASN 15 2HD2 ASN 15 -11.159 0.960 1.584
106 H LYS 16 H LYS 16 -11.662 -4.594 3.963
107 HA LYS 16 HA LYS 16 -11.855 -3.400 6.495
108 1HB LYS 16 2HB LYS 16 -13.018 -5.480 5.957
109 2HB LYS 16 1HB LYS 16 -11.480 -6.318 5.791
110 1HG LYS 16 2HG LYS 16 -11.441 -6.770 7.957
111 2HG LYS 16 1HG LYS 16 -11.596 -5.059 8.356
112 1HD LYS 16 2HD LYS 16 -13.782 -5.253 8.832
113 2HD LYS 16 1HD LYS 16 -14.088 -6.289 7.437
114 1HE LYS 16 2HE LYS 16 -12.611 -7.909 9.097
115 2HE LYS 16 1HE LYS 16 -13.605 -6.992 10.227
116 1HZ LYS 16 1HZ LYS 16 -14.789 -8.295 7.855
117 2HZ LYS 16 2HZ LYS 16 -15.555 -7.794 9.278
118 3HZ LYS 16 3HZ LYS 16 -14.545 -9.151 9.294
119 H MET 17 H MET 17 -9.558 -2.432 5.736
120 HA MET 17 HA MET 17 -7.135 -3.489 6.005
121 1HB MET 17 2HB MET 17 -6.394 -1.397 7.116
122 2HB MET 17 1HB MET 17 -7.451 -1.114 5.742
123 1HG MET 17 2HG MET 17 -8.860 -1.318 8.291
124 2HG MET 17 1HG MET 17 -7.717 0.020 8.206
125 1HE MET 17 1HE MET 17 -8.708 2.350 5.785
126 2HE MET 17 2HE MET 17 -7.829 1.874 7.238
127 3HE MET 17 3HE MET 17 -9.446 2.564 7.372
128 H LEU 18 H LEU 18 -6.180 -4.851 7.329
129 HA LEU 18 HA LEU 18 -7.266 -5.393 9.941
130 1HB LEU 18 2HB LEU 18 -4.983 -6.866 9.872
131 2HB LEU 18 1HB LEU 18 -6.539 -7.405 9.275
132 HG LEU 18 HG LEU 18 -4.626 -6.003 7.439
133 1HD1 LEU 18 1HD1 LEU 18 -3.245 -7.706 8.310
134 2HD1 LEU 18 2HD1 LEU 18 -3.864 -8.310 6.774
135 3HD1 LEU 18 3HD1 LEU 18 -4.558 -8.883 8.291
136 1HD2 LEU 18 1HD2 LEU 18 -6.486 -8.242 6.759
137 2HD2 LEU 18 2HD2 LEU 18 -5.880 -6.936 5.738
138 3HD2 LEU 18 3HD2 LEU 18 -7.110 -6.605 6.958
139 H GLY 19 H GLY 19 -6.731 -2.984 10.369
140 1HA GLY 19 2HA GLY 19 -5.465 -1.403 11.469
141 2HA GLY 19 1HA GLY 19 -5.011 -2.766 12.477
142 H ASP 20 H ASP 20 -4.154 -2.576 9.086
143 HA ASP 20 HA ASP 20 -1.382 -2.882 9.705
144 1HB ASP 20 2HB ASP 20 -2.366 -2.152 6.971
145 2HB ASP 20 1HB ASP 20 -1.060 -3.230 7.434
146 H LEU 21 H LEU 21 0.205 -1.461 8.371
147 HA LEU 21 HA LEU 21 -0.503 1.310 8.112
148 1HB LEU 21 2HB LEU 21 -0.225 1.279 10.497
149 2HB LEU 21 1HB LEU 21 1.289 0.406 10.360
150 HG LEU 21 HG LEU 21 2.428 2.314 9.516
151 1HD1 LEU 21 1HD1 LEU 21 -0.279 3.200 8.832
152 2HD1 LEU 21 2HD1 LEU 21 1.263 3.544 8.048
153 3HD1 LEU 21 3HD1 LEU 21 0.767 4.470 9.465
154 1HD2 LEU 21 1HD2 LEU 21 2.494 2.697 11.743
155 2HD2 LEU 21 2HD2 LEU 21 0.739 2.646 11.915
156 3HD2 LEU 21 3HD2 LEU 21 1.523 4.099 11.295
157 H ILE 22 H ILE 22 0.281 1.099 6.030
158 HA ILE 22 HA ILE 22 3.073 0.324 5.668
159 HB ILE 22 HB ILE 22 1.672 -0.730 4.093
160 1HG1 ILE 22 2HG1 ILE 22 3.754 0.738 3.288
161 2HG1 ILE 22 1HG1 ILE 22 2.804 -0.260 2.193
162 1HG2 ILE 22 1HG2 ILE 22 0.383 1.946 3.837
163 2HG2 ILE 22 2HG2 ILE 22 -0.356 0.371 4.127
164 3HG2 ILE 22 3HG2 ILE 22 0.263 0.774 2.527
165 1HD1 ILE 22 1HD1 ILE 22 3.301 2.052 1.382
166 2HD1 ILE 22 2HD1 ILE 22 2.252 2.657 2.661
167 3HD1 ILE 22 3HD1 ILE 22 1.593 1.620 1.398
168 H CYS 23 H CYS 23 4.623 1.635 4.765
169 HA CYS 23 HA CYS 23 3.950 4.506 4.683
170 1HB CYS 23 2HB CYS 23 5.660 3.752 6.395
171 2HB CYS 23 1HB CYS 23 6.707 3.323 5.047
172 H ALA 24 H ALA 24 3.219 4.329 2.524
173 HA ALA 24 HA ALA 24 4.971 3.338 0.482
174 1HB ALA 24 1HB ALA 24 2.817 4.967 -0.527
175 2HB ALA 24 2HB ALA 24 2.252 3.816 0.680
176 3HB ALA 24 3HB ALA 24 3.125 3.243 -0.737
177 H VAL 25 H VAL 25 6.301 4.397 -0.803
178 HA VAL 25 HA VAL 25 6.334 7.325 -0.707
179 HB VAL 25 HB VAL 25 8.165 6.315 0.663
180 1HG1 VAL 25 1HG1 VAL 25 9.959 5.146 -0.306
181 2HG1 VAL 25 2HG1 VAL 25 9.412 5.506 -1.944
182 3HG1 VAL 25 3HG1 VAL 25 8.502 4.380 -0.938
183 1HG2 VAL 25 1HG2 VAL 25 9.171 7.849 -1.725
184 2HG2 VAL 25 2HG2 VAL 25 9.847 7.833 -0.096
185 3HG2 VAL 25 3HG2 VAL 25 8.275 8.576 -0.391
186 H ILE 26 H ILE 26 6.941 8.380 -2.554
187 HA ILE 26 HA ILE 26 7.235 6.751 -4.987
188 HB ILE 26 HB ILE 26 6.011 9.022 -5.907
189 1HG1 ILE 26 2HG1 ILE 26 5.492 9.572 -3.475
190 2HG1 ILE 26 1HG1 ILE 26 4.123 9.566 -4.579
191 1HG2 ILE 26 1HG2 ILE 26 4.024 7.015 -5.405
192 2HG2 ILE 26 2HG2 ILE 26 5.549 6.265 -5.874
193 3HG2 ILE 26 3HG2 ILE 26 4.803 7.473 -6.919
194 1HD1 ILE 26 1HD1 ILE 26 3.274 8.462 -2.760
195 2HD1 ILE 26 2HD1 ILE 26 4.802 7.668 -2.387
196 3HD1 ILE 26 3HD1 ILE 26 3.829 7.114 -3.749
197 H GLY 27 H GLY 27 9.453 7.126 -4.954
198 1HA GLY 27 2HA GLY 27 11.342 8.179 -5.741
199 2HA GLY 27 1HA GLY 27 10.312 9.498 -6.283
200 H ASP 28 H ASP 28 9.265 10.612 -4.221
201 HA ASP 28 HA ASP 28 11.088 10.905 -2.013
202 1HB ASP 28 2HB ASP 28 11.485 13.305 -2.351
203 2HB ASP 28 1HB ASP 28 12.142 12.360 -3.685
204 H ALA 29 H ALA 29 8.212 10.277 -2.683
205 HA ALA 29 HA ALA 29 7.020 12.238 -0.822
206 1HB ALA 29 1HB ALA 29 5.746 12.888 -2.546
207 2HB ALA 29 2HB ALA 29 4.872 11.381 -2.274
208 3HB ALA 29 3HB ALA 29 6.138 11.457 -3.499
209 H LYS 30 H LYS 30 7.325 10.879 0.949
210 HA LYS 30 HA LYS 30 6.082 8.240 0.857
211 1HB LYS 30 2HB LYS 30 7.225 7.784 2.935
212 2HB LYS 30 1HB LYS 30 8.366 8.453 1.777
213 1HG LYS 30 2HG LYS 30 7.890 10.705 2.906
214 2HG LYS 30 1HG LYS 30 7.181 9.743 4.205
215 1HD LYS 30 2HD LYS 30 10.001 9.499 3.156
216 2HD LYS 30 1HD LYS 30 9.523 10.272 4.669
217 1HE LYS 30 2HE LYS 30 8.364 7.855 4.972
218 2HE LYS 30 1HE LYS 30 9.757 7.413 3.985
219 1HZ LYS 30 1HZ LYS 30 9.844 8.876 6.568
220 2HZ LYS 30 2HZ LYS 30 11.189 8.505 5.614
221 3HZ LYS 30 3HZ LYS 30 10.287 7.263 6.322
222 H GLU 31 H GLU 31 4.491 7.567 2.271
223 HA GLU 31 HA GLU 31 3.325 9.372 4.191
224 1HB GLU 31 2HB GLU 31 1.824 8.612 1.680
225 2HB GLU 31 1HB GLU 31 1.053 9.263 3.118
226 1HG GLU 31 2HG GLU 31 2.426 11.295 2.902
227 2HG GLU 31 1HG GLU 31 3.119 10.642 1.418
228 H GLU 32 H GLU 32 1.431 8.320 5.312
229 HA GLU 32 HA GLU 32 1.916 5.426 5.437
230 1HB GLU 32 2HB GLU 32 1.140 7.460 7.450
231 2HB GLU 32 1HB GLU 32 0.456 5.851 7.638
232 1HG GLU 32 2HG GLU 32 2.679 4.882 7.681
233 2HG GLU 32 1HG GLU 32 3.396 6.471 7.432
234 H HIS 33 H HIS 33 0.304 3.955 5.327
235 HA HIS 33 HA HIS 33 -2.458 4.829 5.087
236 1HB HIS 33 2HB HIS 33 -1.643 2.990 2.917
237 2HB HIS 33 1HB HIS 33 -2.818 4.300 2.903
238 HD1 HIS 33 1HD HIS 33 0.981 4.066 3.144
239 HD2 HIS 33 2HD HIS 33 -1.992 6.281 1.286
240 HE1 HIS 33 1HE HIS 33 2.181 5.709 1.672
241 HE2 HIS 33 2HE HIS 33 0.366 7.106 0.630
242 H ARG 34 H ARG 34 -3.913 3.281 5.679
243 HA ARG 34 HA ARG 34 -2.857 0.983 7.059
244 1HB ARG 34 2HB ARG 34 -5.471 2.332 6.838
245 2HB ARG 34 1HB ARG 34 -5.524 0.605 7.160
246 1HG ARG 34 2HG ARG 34 -3.605 1.986 8.845
247 2HG ARG 34 1HG ARG 34 -5.247 2.607 9.032
248 1HD ARG 34 2HD ARG 34 -6.080 0.414 9.539
249 2HD ARG 34 1HD ARG 34 -4.523 -0.316 9.155
250 HE ARG 34 HE ARG 34 -3.732 0.326 11.219
251 1HH1 ARG 34 1HH1 ARG 34 -6.813 1.858 10.623
252 2HH1 ARG 34 2HH1 ARG 34 -6.993 2.412 12.252
253 1HH2 ARG 34 1HH2 ARG 34 -3.969 1.056 13.362
254 2HH2 ARG 34 2HH2 ARG 34 -5.379 1.959 13.807
255 H ASN 35 H ASN 35 -5.171 1.424 4.368
256 HA ASN 35 HA ASN 35 -5.159 -1.395 3.788
257 1HB ASN 35 2HB ASN 35 -6.648 0.956 2.881
258 2HB ASN 35 1HB ASN 35 -6.292 -0.180 1.587
259 1HD2 ASN 35 1HD2 ASN 35 -8.377 0.568 4.078
260 2HD2 ASN 35 2HD2 ASN 35 -9.211 -0.939 4.187
261 H MET 36 H MET 36 -2.780 -1.319 3.668
262 HA MET 36 HA MET 36 -1.244 -0.114 1.749
263 1HB MET 36 2HB MET 36 -0.324 -1.434 3.555
264 2HB MET 36 1HB MET 36 -1.034 -2.895 2.892
265 1HG MET 36 2HG MET 36 0.553 -1.759 0.857
266 2HG MET 36 1HG MET 36 1.503 -1.714 2.341
267 1HE MET 36 1HE MET 36 -0.376 -5.571 0.653
268 2HE MET 36 2HE MET 36 -0.835 -3.930 0.197
269 3HE MET 36 3HE MET 36 -1.249 -4.549 1.796
270 H CYS 37 H CYS 37 -3.539 -2.699 1.337
271 HA CYS 37 HA CYS 37 -2.493 -3.452 -1.238
272 1HB CYS 37 2HB CYS 37 -4.227 -5.050 -1.359
273 2HB CYS 37 1HB CYS 37 -3.725 -5.020 0.323
274 H ALA 38 H ALA 38 -5.071 -1.417 0.003
275 HA ALA 38 HA ALA 38 -6.251 -0.826 -2.514
276 1HB ALA 38 1HB ALA 38 -7.352 -0.466 -0.295
277 2HB ALA 38 2HB ALA 38 -7.446 0.910 -1.394
278 3HB ALA 38 3HB ALA 38 -6.287 0.920 -0.066
279 H LEU 39 H LEU 39 -3.348 0.095 -1.058
280 HA LEU 39 HA LEU 39 -3.067 2.593 -2.474
281 1HB LEU 39 2HB LEU 39 -1.928 1.517 -0.242
282 2HB LEU 39 1HB LEU 39 -0.657 1.292 -1.419
283 HG LEU 39 HG LEU 39 -0.828 3.730 -1.960
284 1HD1 LEU 39 1HD1 LEU 39 -2.012 5.209 -0.585
285 2HD1 LEU 39 2HD1 LEU 39 -2.340 3.961 0.617
286 3HD1 LEU 39 3HD1 LEU 39 -3.148 3.911 -0.949
287 1HD2 LEU 39 1HD2 LEU 39 0.540 4.394 -0.149
288 2HD2 LEU 39 2HD2 LEU 39 0.861 2.686 -0.438
289 3HD2 LEU 39 3HD2 LEU 39 -0.159 3.173 0.914
290 H CYS 40 H CYS 40 -1.579 -0.602 -2.564
291 HA CYS 40 HA CYS 40 0.090 -0.175 -4.735
292 1HB CYS 40 2HB CYS 40 -0.804 -2.418 -3.193
293 2HB CYS 40 1HB CYS 40 -0.795 -2.851 -4.901
294 H CYS 41 H CYS 41 -3.352 -0.842 -4.621
295 HA CYS 41 HA CYS 41 -3.492 -1.343 -7.467
296 1HB CYS 41 2HB CYS 41 -5.632 -1.967 -7.085
297 2HB CYS 41 1HB CYS 41 -5.035 -2.114 -5.449
298 H GLU 42 H GLU 42 -3.991 1.304 -5.270
299 HA GLU 42 HA GLU 42 -4.986 3.032 -7.414
300 1HB GLU 42 2HB GLU 42 -5.689 2.851 -4.804
301 2HB GLU 42 1HB GLU 42 -4.562 4.199 -4.744
302 1HG GLU 42 2HG GLU 42 -6.770 4.133 -6.759
303 2HG GLU 42 1HG GLU 42 -7.062 4.673 -5.106
304 H HIS 43 H HIS 43 -1.975 2.170 -6.553
305 HA HIS 43 HA HIS 43 -0.888 4.880 -6.986
306 1HB HIS 43 2HB HIS 43 -0.131 2.756 -5.118
307 2HB HIS 43 1HB HIS 43 1.227 3.437 -5.997
308 HD1 HIS 43 1HD HIS 43 1.992 5.762 -5.332
309 HD2 HIS 43 2HD HIS 43 -1.603 4.672 -3.559
310 HE1 HIS 43 1HE HIS 43 1.500 7.563 -3.650
311 HE2 HIS 43 2HE HIS 43 -0.732 6.936 -2.664
312 HA PRO 44 HA PRO 44 1.454 4.043 -10.573
313 1HB PRO 44 2HB PRO 44 3.963 3.587 -9.012
314 2HB PRO 44 1HB PRO 44 3.682 4.634 -10.409
315 1HG PRO 44 2HG PRO 44 3.850 5.686 -7.982
316 2HG PRO 44 1HG PRO 44 2.634 6.277 -9.130
317 1HD PRO 44 2HD PRO 44 2.299 4.474 -6.768
318 2HD PRO 44 1HD PRO 44 1.212 5.740 -7.374
319 H GLY 45 H GLY 45 3.190 2.431 -11.550
320 1HA GLY 45 2HA GLY 45 2.124 -0.083 -11.654
321 2HA GLY 45 1HA GLY 45 3.813 0.257 -11.998
322 H GLY 46 H GLY 46 4.149 1.205 -9.151
323 1HA GLY 46 2HA GLY 46 3.609 -0.441 -7.135
324 2HA GLY 46 1HA GLY 46 4.736 -1.428 -8.054
325 H PHE 47 H PHE 47 4.637 2.046 -7.294
326 HA PHE 47 HA PHE 47 7.251 2.622 -7.096
327 1HB PHE 47 2HB PHE 47 6.672 4.319 -5.353
328 2HB PHE 47 1HB PHE 47 5.638 4.350 -6.770
329 HD1 PHE 47 1HD PHE 47 5.068 5.593 -4.093
330 HD2 PHE 47 2HD PHE 47 4.022 1.788 -5.687
331 HE1 PHE 47 1HE PHE 47 3.094 5.525 -2.644
332 HE2 PHE 47 2HE PHE 47 2.051 1.721 -4.245
333 HZ PHE 47 HZ PHE 47 1.577 3.595 -2.730
334 H GLU 48 H GLU 48 6.361 2.901 -3.786
335 HA GLU 48 HA GLU 48 7.475 0.356 -3.002
336 1HB GLU 48 2HB GLU 48 9.341 1.642 -1.683
337 2HB GLU 48 1HB GLU 48 9.591 1.170 -3.357
338 1HG GLU 48 2HG GLU 48 8.437 3.843 -2.860
339 2HG GLU 48 1HG GLU 48 10.135 3.601 -2.456
340 H TYR 49 H TYR 49 7.414 -0.027 -0.761
341 HA TYR 49 HA TYR 49 6.072 1.995 0.897
342 1HB TYR 49 2HB TYR 49 4.466 0.500 1.722
343 2HB TYR 49 1HB TYR 49 4.322 0.508 -0.010
344 HD1 TYR 49 1HD TYR 49 3.231 -1.524 -0.371
345 HD2 TYR 49 2HD TYR 49 6.745 -1.481 2.025
346 HE1 TYR 49 1HE TYR 49 3.223 -3.979 -0.302
347 HE2 TYR 49 2HE TYR 49 6.752 -3.921 2.084
348 HH TYR 49 HH TYR 49 4.642 -5.764 1.784
349 H SER 50 H SER 50 5.847 1.156 3.141
350 HA SER 50 HA SER 50 8.071 -0.502 4.000
351 1HB SER 50 2HB SER 50 7.955 1.916 5.604
352 2HB SER 50 1HB SER 50 9.345 1.110 4.882
353 HG SER 50 HG SER 50 8.984 2.217 2.985
354 H ASN 51 H ASN 51 6.301 -1.821 4.528
355 HA ASN 51 HA ASN 51 4.142 -1.125 6.097
356 1HB ASN 51 2HB ASN 51 5.529 -3.796 6.053
357 2HB ASN 51 1HB ASN 51 3.911 -3.479 6.667
358 1HD2 ASN 51 1HD2 ASN 51 3.043 -4.956 5.190
359 2HD2 ASN 51 2HD2 ASN 51 2.861 -4.560 3.518
360 H GLY 52 H GLY 52 3.802 -0.709 8.078
361 1HA GLY 52 2HA GLY 52 4.206 -1.198 10.453
362 2HA GLY 52 1HA GLY 52 5.921 -1.241 10.072
363 HA PRO 53 HA PRO 53 4.873 2.949 11.877
364 1HB PRO 53 2HB PRO 53 7.295 3.118 13.188
365 2HB PRO 53 1HB PRO 53 5.809 2.496 13.910
366 1HG PRO 53 2HG PRO 53 8.107 1.001 12.717
367 2HG PRO 53 1HG PRO 53 7.163 0.633 14.173
368 1HD PRO 53 2HD PRO 53 6.754 -0.673 11.865
369 2HD PRO 53 1HD PRO 53 5.411 -0.276 12.956
370 H CYS 54 H CYS 54 5.559 4.882 11.046
371 HA CYS 54 HA CYS 54 8.117 5.288 9.887
372 1HB CYS 54 2HB CYS 54 7.213 3.850 8.134
373 2HB CYS 54 1HB CYS 54 5.806 4.893 7.977
374 H GLU 55 H GLU 55 4.967 6.462 8.722
375 HA GLU 55 HA GLU 55 5.805 9.188 9.134
376 1HB GLU 55 2HB GLU 55 4.318 8.189 7.225
377 2HB GLU 55 1HB GLU 55 3.010 8.415 8.378
378 1HG GLU 55 2HG GLU 55 4.283 10.831 8.468
379 2HG GLU 55 1HG GLU 55 4.467 10.370 6.776
Start of MODEL 13
1 1H ALA 1 1H ALA 1 12.873 0.412 -5.070
2 2H ALA 1 2H ALA 1 11.671 1.136 -4.082
3 3H ALA 1 3H ALA 1 12.084 1.840 -5.593
4 HA ALA 1 HA ALA 1 10.114 0.779 -5.976
5 1HB ALA 1 1HB ALA 1 12.285 -1.151 -6.784
6 2HB ALA 1 2HB ALA 1 11.866 0.330 -7.645
7 3HB ALA 1 3HB ALA 1 10.696 -0.985 -7.531
8 H HIS 2 H HIS 2 9.619 0.383 -3.583
9 HA HIS 2 HA HIS 2 9.792 -2.447 -2.864
10 1HB HIS 2 2HB HIS 2 8.679 -0.209 -1.171
11 2HB HIS 2 1HB HIS 2 9.221 -1.797 -0.638
12 HD1 HIS 2 1HD HIS 2 10.293 1.570 -0.630
13 HD2 HIS 2 2HD HIS 2 12.191 -2.062 -1.323
14 HE1 HIS 2 1HE HIS 2 12.743 2.015 -0.281
15 HE2 HIS 2 2HE HIS 2 13.866 -0.212 -0.644
16 H MET 3 H MET 3 8.237 -2.511 -4.856
17 HA MET 3 HA MET 3 5.471 -1.943 -4.237
18 1HB MET 3 2HB MET 3 4.995 -2.798 -6.455
19 2HB MET 3 1HB MET 3 6.358 -1.690 -6.530
20 1HG MET 3 2HG MET 3 7.905 -3.501 -6.716
21 2HG MET 3 1HG MET 3 6.630 -4.682 -6.424
22 1HE MET 3 1HE MET 3 7.173 -1.531 -8.446
23 2HE MET 3 2HE MET 3 6.821 -1.971 -10.116
24 3HE MET 3 3HE MET 3 8.348 -2.457 -9.380
25 H ASP 4 H ASP 4 3.945 -3.347 -3.559
26 HA ASP 4 HA ASP 4 4.290 -6.198 -3.727
27 1HB ASP 4 2HB ASP 4 4.276 -4.878 -1.002
28 2HB ASP 4 1HB ASP 4 4.183 -6.611 -1.299
29 H CYS 5 H CYS 5 2.305 -5.711 -4.943
30 HA CYS 5 HA CYS 5 -0.014 -4.805 -3.494
31 1HB CYS 5 2HB CYS 5 0.553 -4.586 -6.052
32 2HB CYS 5 1HB CYS 5 -0.145 -6.194 -6.154
33 H THR 6 H THR 6 -2.081 -6.456 -4.183
34 HA THR 6 HA THR 6 -1.829 -8.535 -2.327
35 HB THR 6 HB THR 6 -4.019 -7.728 -2.769
36 HG1 THR 6 1HG THR 6 -5.039 -9.594 -2.986
37 1HG2 THR 6 1HG2 THR 6 -4.574 -8.633 -5.416
38 2HG2 THR 6 2HG2 THR 6 -3.209 -7.517 -5.445
39 3HG2 THR 6 3HG2 THR 6 -4.742 -7.018 -4.728
40 H GLU 7 H GLU 7 -3.237 -10.165 -5.010
41 HA GLU 7 HA GLU 7 -1.021 -10.977 -6.461
42 1HB GLU 7 2HB GLU 7 -0.085 -12.770 -5.397
43 2HB GLU 7 1HB GLU 7 -0.517 -11.795 -4.006
44 1HG GLU 7 2HG GLU 7 -1.497 -13.617 -3.213
45 2HG GLU 7 1HG GLU 7 -2.767 -13.321 -4.397
46 H PHE 8 H PHE 8 -3.970 -10.546 -6.539
47 HA PHE 8 HA PHE 8 -4.586 -12.984 -8.054
48 1HB PHE 8 2HB PHE 8 -6.717 -11.759 -6.333
49 2HB PHE 8 1HB PHE 8 -6.651 -13.372 -7.033
50 HD1 PHE 8 1HD PHE 8 -5.173 -15.086 -6.035
51 HD2 PHE 8 2HD PHE 8 -5.780 -11.288 -4.215
52 HE1 PHE 8 1HE PHE 8 -4.302 -15.970 -3.910
53 HE2 PHE 8 2HE PHE 8 -4.909 -12.164 -2.086
54 HZ PHE 8 HZ PHE 8 -4.168 -14.507 -1.932
55 H ASN 9 H ASN 9 -7.094 -12.465 -8.879
56 HA ASN 9 HA ASN 9 -6.698 -10.470 -10.864
57 1HB ASN 9 2HB ASN 9 -8.617 -12.560 -10.298
58 2HB ASN 9 1HB ASN 9 -9.443 -11.080 -10.778
59 1HD2 ASN 9 1HD2 ASN 9 -6.848 -13.279 -11.722
60 2HD2 ASN 9 2HD2 ASN 9 -7.030 -13.046 -13.424
61 HA PRO 10 HA PRO 10 -9.971 -7.981 -8.355
62 1HB PRO 10 2HB PRO 10 -10.549 -8.783 -5.836
63 2HB PRO 10 1HB PRO 10 -11.422 -9.386 -7.250
64 1HG PRO 10 2HG PRO 10 -9.218 -10.673 -5.692
65 2HG PRO 10 1HG PRO 10 -10.695 -11.398 -6.351
66 1HD PRO 10 2HD PRO 10 -8.260 -11.613 -7.547
67 2HD PRO 10 1HD PRO 10 -9.788 -11.639 -8.446
68 H LEU 11 H LEU 11 -7.969 -6.764 -8.469
69 HA LEU 11 HA LEU 11 -5.974 -6.676 -6.537
70 1HB LEU 11 2HB LEU 11 -5.691 -4.270 -7.292
71 2HB LEU 11 1HB LEU 11 -5.537 -5.518 -8.507
72 HG LEU 11 HG LEU 11 -6.880 -3.315 -8.989
73 1HD1 LEU 11 1HD1 LEU 11 -8.548 -5.255 -10.151
74 2HD1 LEU 11 2HD1 LEU 11 -6.948 -5.981 -10.005
75 3HD1 LEU 11 3HD1 LEU 11 -7.147 -4.453 -10.862
76 1HD2 LEU 11 1HD2 LEU 11 -9.065 -5.041 -7.839
77 2HD2 LEU 11 2HD2 LEU 11 -9.229 -3.447 -8.573
78 3HD2 LEU 11 3HD2 LEU 11 -8.390 -3.626 -7.033
79 H CYS 12 H CYS 12 -5.737 -4.224 -5.524
80 HA CYS 12 HA CYS 12 -6.390 -4.097 -3.078
81 1HB CYS 12 2HB CYS 12 -6.749 -1.718 -3.100
82 2HB CYS 12 1HB CYS 12 -5.546 -2.142 -4.308
83 H ARG 13 H ARG 13 -8.151 -5.731 -3.201
84 HA ARG 13 HA ARG 13 -10.828 -4.507 -3.196
85 1HB ARG 13 2HB ARG 13 -10.440 -6.618 -4.507
86 2HB ARG 13 1HB ARG 13 -10.103 -7.438 -2.988
87 1HG ARG 13 2HG ARG 13 -12.294 -7.975 -3.211
88 2HG ARG 13 1HG ARG 13 -12.473 -6.445 -2.351
89 1HD ARG 13 2HD ARG 13 -12.338 -6.343 -5.311
90 2HD ARG 13 1HD ARG 13 -13.807 -6.996 -4.588
91 HE ARG 13 HE ARG 13 -13.049 -4.272 -4.699
92 1HH1 ARG 13 1HH1 ARG 13 -14.597 -6.605 -2.617
93 2HH1 ARG 13 2HH1 ARG 13 -15.557 -5.421 -1.795
94 1HH2 ARG 13 1HH2 ARG 13 -14.311 -2.713 -3.619
95 2HH2 ARG 13 2HH2 ARG 13 -15.396 -3.212 -2.364
96 H CYS 14 H CYS 14 -9.142 -3.741 -1.195
97 HA CYS 14 HA CYS 14 -10.430 -4.917 1.152
98 1HB CYS 14 2HB CYS 14 -7.779 -4.267 1.908
99 2HB CYS 14 1HB CYS 14 -8.531 -5.856 1.860
100 H ASN 15 H ASN 15 -11.577 -3.254 1.916
101 HA ASN 15 HA ASN 15 -10.531 -0.530 1.791
102 1HB ASN 15 2HB ASN 15 -13.123 -1.716 1.797
103 2HB ASN 15 1HB ASN 15 -13.007 -0.661 3.194
104 1HD2 ASN 15 1HD2 ASN 15 -12.131 1.535 2.754
105 2HD2 ASN 15 2HD2 ASN 15 -12.635 2.313 1.295
106 H LYS 16 H LYS 16 -11.566 -2.910 4.133
107 HA LYS 16 HA LYS 16 -11.699 -1.953 6.509
108 1HB LYS 16 2HB LYS 16 -11.397 -4.342 6.093
109 2HB LYS 16 1HB LYS 16 -9.675 -4.090 5.849
110 1HG LYS 16 2HG LYS 16 -9.561 -4.721 8.003
111 2HG LYS 16 1HG LYS 16 -9.946 -3.026 8.301
112 1HD LYS 16 2HD LYS 16 -11.401 -4.351 9.656
113 2HD LYS 16 1HD LYS 16 -12.364 -3.666 8.346
114 1HE LYS 16 2HE LYS 16 -12.908 -5.688 7.580
115 2HE LYS 16 1HE LYS 16 -11.230 -6.226 7.613
116 1HZ LYS 16 1HZ LYS 16 -11.537 -6.555 10.061
117 2HZ LYS 16 2HZ LYS 16 -12.428 -7.607 9.084
118 3HZ LYS 16 3HZ LYS 16 -13.194 -6.298 9.831
119 H MET 17 H MET 17 -10.653 0.193 5.810
120 HA MET 17 HA MET 17 -7.874 0.567 6.156
121 1HB MET 17 2HB MET 17 -8.592 2.966 6.713
122 2HB MET 17 1HB MET 17 -8.884 2.334 5.104
123 1HG MET 17 2HG MET 17 -11.203 1.990 5.589
124 2HG MET 17 1HG MET 17 -10.950 2.397 7.286
125 1HE MET 17 1HE MET 17 -10.006 6.210 7.002
126 2HE MET 17 2HE MET 17 -8.793 5.007 6.563
127 3HE MET 17 3HE MET 17 -9.841 4.736 7.956
128 H LEU 18 H LEU 18 -7.905 -0.932 8.045
129 HA LEU 18 HA LEU 18 -7.196 0.487 10.362
130 1HB LEU 18 2HB LEU 18 -9.081 0.586 11.532
131 2HB LEU 18 1HB LEU 18 -9.947 -0.088 10.170
132 HG LEU 18 HG LEU 18 -8.617 -1.959 12.086
133 1HD1 LEU 18 1HD1 LEU 18 -10.079 -0.058 13.204
134 2HD1 LEU 18 2HD1 LEU 18 -10.158 -1.735 13.743
135 3HD1 LEU 18 3HD1 LEU 18 -11.396 -1.097 12.660
136 1HD2 LEU 18 1HD2 LEU 18 -9.672 -3.393 10.749
137 2HD2 LEU 18 2HD2 LEU 18 -10.500 -2.081 9.910
138 3HD2 LEU 18 3HD2 LEU 18 -11.198 -2.769 11.375
139 H GLY 19 H GLY 19 -5.379 -0.634 10.715
140 1HA GLY 19 2HA GLY 19 -5.136 -3.013 11.942
141 2HA GLY 19 1HA GLY 19 -5.305 -3.499 10.264
142 H ASP 20 H ASP 20 -3.504 -3.655 9.089
143 HA ASP 20 HA ASP 20 -0.967 -3.325 10.199
144 1HB ASP 20 2HB ASP 20 -1.438 -3.268 7.233
145 2HB ASP 20 1HB ASP 20 -0.098 -3.971 8.120
146 H LEU 21 H LEU 21 0.768 -2.037 8.916
147 HA LEU 21 HA LEU 21 -0.098 0.641 8.191
148 1HB LEU 21 2HB LEU 21 0.427 1.565 10.135
149 2HB LEU 21 1HB LEU 21 0.750 -0.024 10.786
150 HG LEU 21 HG LEU 21 3.129 0.216 10.090
151 1HD1 LEU 21 1HD1 LEU 21 3.033 3.106 9.838
152 2HD1 LEU 21 2HD1 LEU 21 2.193 2.286 8.524
153 3HD1 LEU 21 3HD1 LEU 21 3.883 1.912 8.857
154 1HD2 LEU 21 1HD2 LEU 21 3.640 2.032 11.794
155 2HD2 LEU 21 2HD2 LEU 21 2.683 0.658 12.348
156 3HD2 LEU 21 3HD2 LEU 21 1.894 2.191 11.981
157 H ILE 22 H ILE 22 0.720 0.593 6.199
158 HA ILE 22 HA ILE 22 3.398 -0.406 5.702
159 HB ILE 22 HB ILE 22 1.990 -0.999 3.938
160 1HG1 ILE 22 2HG1 ILE 22 4.071 0.433 3.271
161 2HG1 ILE 22 1HG1 ILE 22 2.901 -0.080 2.065
162 1HG2 ILE 22 1HG2 ILE 22 0.841 1.753 4.097
163 2HG2 ILE 22 2HG2 ILE 22 0.041 0.222 4.456
164 3HG2 ILE 22 3HG2 ILE 22 0.485 0.621 2.796
165 1HD1 ILE 22 1HD1 ILE 22 3.740 2.394 2.157
166 2HD1 ILE 22 2HD1 ILE 22 2.493 2.551 3.387
167 3HD1 ILE 22 3HD1 ILE 22 2.069 2.020 1.761
168 H CYS 23 H CYS 23 5.010 0.911 4.631
169 HA CYS 23 HA CYS 23 4.675 3.780 5.246
170 1HB CYS 23 2HB CYS 23 7.156 3.862 5.593
171 2HB CYS 23 1HB CYS 23 6.278 2.942 6.808
172 H ALA 24 H ALA 24 4.024 4.380 3.252
173 HA ALA 24 HA ALA 24 5.367 3.428 0.913
174 1HB ALA 24 1HB ALA 24 3.899 5.407 -0.084
175 2HB ALA 24 2HB ALA 24 3.074 5.218 1.463
176 3HB ALA 24 3HB ALA 24 3.209 3.846 0.362
177 H VAL 25 H VAL 25 6.298 4.795 -0.688
178 HA VAL 25 HA VAL 25 7.349 7.373 0.006
179 HB VAL 25 HB VAL 25 9.284 5.077 -0.378
180 1HG1 VAL 25 1HG1 VAL 25 9.621 8.042 -0.118
181 2HG1 VAL 25 2HG1 VAL 25 10.309 6.944 -1.313
182 3HG1 VAL 25 3HG1 VAL 25 10.916 6.936 0.343
183 1HG2 VAL 25 1HG2 VAL 25 10.000 5.643 1.958
184 2HG2 VAL 25 2HG2 VAL 25 8.406 4.898 1.830
185 3HG2 VAL 25 3HG2 VAL 25 8.549 6.637 2.091
186 H ILE 26 H ILE 26 8.021 8.462 -1.767
187 HA ILE 26 HA ILE 26 8.502 7.183 -4.280
188 HB ILE 26 HB ILE 26 5.904 7.320 -3.847
189 1HG1 ILE 26 2HG1 ILE 26 5.494 7.316 -6.175
190 2HG1 ILE 26 1HG1 ILE 26 6.918 8.287 -6.508
191 1HG2 ILE 26 1HG2 ILE 26 6.321 9.895 -3.524
192 2HG2 ILE 26 2HG2 ILE 26 4.826 9.260 -4.202
193 3HG2 ILE 26 3HG2 ILE 26 6.080 9.898 -5.265
194 1HD1 ILE 26 1HD1 ILE 26 7.128 5.548 -5.314
195 2HD1 ILE 26 2HD1 ILE 26 8.364 6.484 -6.153
196 3HD1 ILE 26 3HD1 ILE 26 7.011 5.800 -7.055
197 H GLY 27 H GLY 27 8.407 9.088 -6.024
198 1HA GLY 27 2HA GLY 27 10.535 10.642 -5.907
199 2HA GLY 27 1HA GLY 27 9.067 11.245 -6.655
200 H ASP 28 H ASP 28 7.530 11.469 -4.277
201 HA ASP 28 HA ASP 28 8.938 13.130 -2.408
202 1HB ASP 28 2HB ASP 28 8.103 14.437 -4.671
203 2HB ASP 28 1HB ASP 28 6.730 14.670 -3.593
204 H ALA 29 H ALA 29 7.307 10.726 -2.385
205 HA ALA 29 HA ALA 29 5.187 11.687 -0.576
206 1HB ALA 29 1HB ALA 29 4.677 9.259 -2.220
207 2HB ALA 29 2HB ALA 29 4.493 10.843 -2.975
208 3HB ALA 29 3HB ALA 29 3.540 10.429 -1.551
209 H LYS 30 H LYS 30 6.661 11.181 1.131
210 HA LYS 30 HA LYS 30 6.990 8.289 1.590
211 1HB LYS 30 2HB LYS 30 8.821 9.067 3.216
212 2HB LYS 30 1HB LYS 30 9.169 9.148 1.494
213 1HG LYS 30 2HG LYS 30 8.010 11.570 2.725
214 2HG LYS 30 1HG LYS 30 9.662 11.152 3.183
215 1HD LYS 30 2HD LYS 30 8.780 11.261 0.312
216 2HD LYS 30 1HD LYS 30 9.356 12.692 1.169
217 1HE LYS 30 2HE LYS 30 10.973 10.173 1.149
218 2HE LYS 30 1HE LYS 30 11.032 11.285 -0.217
219 1HZ LYS 30 1HZ LYS 30 12.791 11.777 1.331
220 2HZ LYS 30 2HZ LYS 30 11.689 11.937 2.605
221 3HZ LYS 30 3HZ LYS 30 11.677 13.052 1.332
222 H GLU 31 H GLU 31 5.057 7.933 2.645
223 HA GLU 31 HA GLU 31 4.968 8.828 5.397
224 1HB GLU 31 2HB GLU 31 2.573 9.585 5.166
225 2HB GLU 31 1HB GLU 31 3.779 10.654 4.467
226 1HG GLU 31 2HG GLU 31 3.300 9.619 2.249
227 2HG GLU 31 1HG GLU 31 1.968 8.749 3.011
228 H GLU 32 H GLU 32 2.819 7.961 6.415
229 HA GLU 32 HA GLU 32 2.836 5.110 5.978
230 1HB GLU 32 2HB GLU 32 2.690 6.261 8.245
231 2HB GLU 32 1HB GLU 32 1.023 6.638 7.836
232 1HG GLU 32 2HG GLU 32 1.815 3.823 7.541
233 2HG GLU 32 1HG GLU 32 1.771 4.450 9.189
234 H HIS 33 H HIS 33 0.845 3.855 5.809
235 HA HIS 33 HA HIS 33 -1.513 5.183 4.834
236 1HB HIS 33 2HB HIS 33 0.232 4.853 2.868
237 2HB HIS 33 1HB HIS 33 -0.434 3.222 2.868
238 HD1 HIS 33 1HD HIS 33 -3.142 3.130 2.601
239 HD2 HIS 33 2HD HIS 33 -1.262 6.669 1.498
240 HE1 HIS 33 1HE HIS 33 -4.807 4.359 1.173
241 HE2 HIS 33 2HE HIS 33 -3.675 6.529 0.575
242 H ARG 34 H ARG 34 -3.201 4.100 5.528
243 HA ARG 34 HA ARG 34 -2.863 1.466 6.641
244 1HB ARG 34 2HB ARG 34 -4.519 3.554 7.222
245 2HB ARG 34 1HB ARG 34 -5.605 2.462 6.374
246 1HG ARG 34 2HG ARG 34 -3.889 1.630 8.701
247 2HG ARG 34 1HG ARG 34 -5.556 2.187 8.857
248 1HD ARG 34 2HD ARG 34 -5.711 -0.152 8.806
249 2HD ARG 34 1HD ARG 34 -6.145 0.360 7.176
250 HE ARG 34 HE ARG 34 -3.367 -0.210 7.384
251 1HH1 ARG 34 1HH1 ARG 34 -6.490 -1.741 7.116
252 2HH1 ARG 34 2HH1 ARG 34 -5.870 -3.154 6.334
253 1HH2 ARG 34 1HH2 ARG 34 -2.554 -2.056 6.338
254 2HH2 ARG 34 2HH2 ARG 34 -3.634 -3.336 5.895
255 H ASN 35 H ASN 35 -4.838 2.851 4.006
256 HA ASN 35 HA ASN 35 -5.696 0.237 3.153
257 1HB ASN 35 2HB ASN 35 -6.062 3.000 2.001
258 2HB ASN 35 1HB ASN 35 -6.631 1.554 1.173
259 1HD2 ASN 35 1HD2 ASN 35 -7.567 0.044 3.270
260 2HD2 ASN 35 2HD2 ASN 35 -8.914 0.841 3.998
261 H MET 36 H MET 36 -3.202 -0.167 3.168
262 HA MET 36 HA MET 36 -1.519 0.633 1.135
263 1HB MET 36 2HB MET 36 -0.972 -0.765 3.151
264 2HB MET 36 1HB MET 36 -1.663 -2.141 2.311
265 1HG MET 36 2HG MET 36 0.515 -0.550 1.030
266 2HG MET 36 1HG MET 36 0.898 -1.751 2.260
267 1HE MET 36 1HE MET 36 -1.502 -4.393 0.943
268 2HE MET 36 2HE MET 36 -0.505 -3.848 2.292
269 3HE MET 36 3HE MET 36 0.152 -4.982 1.112
270 H CYS 37 H CYS 37 -4.211 -1.549 1.042
271 HA CYS 37 HA CYS 37 -3.601 -2.993 -1.276
272 1HB CYS 37 2HB CYS 37 -6.194 -2.218 0.040
273 2HB CYS 37 1HB CYS 37 -6.174 -3.139 -1.457
274 H ALA 38 H ALA 38 -5.929 -0.323 -1.043
275 HA ALA 38 HA ALA 38 -6.243 0.158 -3.736
276 1HB ALA 38 1HB ALA 38 -7.254 1.275 -1.502
277 2HB ALA 38 2HB ALA 38 -7.459 1.955 -3.117
278 3HB ALA 38 3HB ALA 38 -6.195 2.573 -2.053
279 H LEU 39 H LEU 39 -3.585 0.953 -1.691
280 HA LEU 39 HA LEU 39 -2.409 2.940 -3.351
281 1HB LEU 39 2HB LEU 39 -1.915 1.685 -0.856
282 2HB LEU 39 1HB LEU 39 -0.456 1.547 -1.810
283 HG LEU 39 HG LEU 39 -0.276 3.925 -2.034
284 1HD1 LEU 39 1HD1 LEU 39 -1.954 5.387 -0.820
285 2HD1 LEU 39 2HD1 LEU 39 -3.007 3.972 -0.792
286 3HD1 LEU 39 3HD1 LEU 39 -2.489 4.654 -2.333
287 1HD2 LEU 39 1HD2 LEU 39 0.694 3.148 -0.027
288 2HD2 LEU 39 2HD2 LEU 39 -0.877 3.007 0.763
289 3HD2 LEU 39 3HD2 LEU 39 -0.213 4.599 0.396
290 H CYS 40 H CYS 40 -1.803 -0.510 -2.864
291 HA CYS 40 HA CYS 40 0.301 -0.685 -4.734
292 1HB CYS 40 2HB CYS 40 0.243 -3.004 -4.380
293 2HB CYS 40 1HB CYS 40 -0.321 -2.322 -2.859
294 H CYS 41 H CYS 41 -3.181 -1.064 -4.993
295 HA CYS 41 HA CYS 41 -3.064 -2.021 -7.700
296 1HB CYS 41 2HB CYS 41 -5.308 -2.340 -7.519
297 2HB CYS 41 1HB CYS 41 -4.873 -2.320 -5.823
298 H GLU 42 H GLU 42 -3.651 1.050 -6.104
299 HA GLU 42 HA GLU 42 -4.360 2.407 -8.547
300 1HB GLU 42 2HB GLU 42 -5.214 3.019 -6.261
301 2HB GLU 42 1HB GLU 42 -3.618 3.672 -5.914
302 1HG GLU 42 2HG GLU 42 -4.819 5.535 -6.557
303 2HG GLU 42 1HG GLU 42 -3.973 5.082 -8.036
304 H HIS 43 H HIS 43 -1.417 2.013 -6.681
305 HA HIS 43 HA HIS 43 -0.010 4.093 -8.094
306 1HB HIS 43 2HB HIS 43 0.809 2.011 -6.087
307 2HB HIS 43 1HB HIS 43 1.994 3.034 -6.888
308 HD1 HIS 43 1HD HIS 43 0.457 5.702 -6.857
309 HD2 HIS 43 2HD HIS 43 0.768 3.144 -3.601
310 HE1 HIS 43 1HE HIS 43 0.052 7.139 -4.835
311 HE2 HIS 43 2HE HIS 43 0.377 5.595 -2.872
312 HA PRO 44 HA PRO 44 1.757 1.961 -11.489
313 1HB PRO 44 2HB PRO 44 4.515 2.581 -10.652
314 2HB PRO 44 1HB PRO 44 3.625 3.130 -12.076
315 1HG PRO 44 2HG PRO 44 4.183 4.797 -10.053
316 2HG PRO 44 1HG PRO 44 2.656 4.906 -10.949
317 1HD PRO 44 2HD PRO 44 3.200 3.658 -8.276
318 2HD PRO 44 1HD PRO 44 1.844 4.693 -8.770
319 H GLY 45 H GLY 45 1.157 -0.136 -10.613
320 1HA GLY 45 2HA GLY 45 1.638 -2.334 -10.159
321 2HA GLY 45 1HA GLY 45 3.302 -1.967 -10.600
322 H GLY 46 H GLY 46 1.986 -0.030 -8.106
323 1HA GLY 46 2HA GLY 46 1.951 -0.551 -5.750
324 2HA GLY 46 1HA GLY 46 3.199 -1.750 -6.045
325 H PHE 47 H PHE 47 2.561 1.401 -5.038
326 HA PHE 47 HA PHE 47 4.811 2.845 -5.795
327 1HB PHE 47 2HB PHE 47 2.778 3.031 -3.720
328 2HB PHE 47 1HB PHE 47 4.336 3.603 -3.145
329 HD1 PHE 47 1HD PHE 47 3.710 3.986 -6.681
330 HD2 PHE 47 2HD PHE 47 3.233 5.810 -2.870
331 HE1 PHE 47 1HE PHE 47 3.312 6.150 -7.775
332 HE2 PHE 47 2HE PHE 47 2.835 7.981 -3.957
333 HZ PHE 47 HZ PHE 47 2.873 8.151 -6.414
334 H GLU 48 H GLU 48 6.369 3.607 -3.803
335 HA GLU 48 HA GLU 48 7.880 1.168 -3.237
336 1HB GLU 48 2HB GLU 48 9.038 3.676 -2.251
337 2HB GLU 48 1HB GLU 48 9.752 2.422 -3.252
338 1HG GLU 48 2HG GLU 48 7.862 3.761 -4.843
339 2HG GLU 48 1HG GLU 48 8.784 4.990 -3.985
340 H TYR 49 H TYR 49 6.091 0.578 -1.739
341 HA TYR 49 HA TYR 49 6.394 1.869 0.886
342 1HB TYR 49 2HB TYR 49 4.352 0.602 1.465
343 2HB TYR 49 1HB TYR 49 4.112 1.883 0.303
344 HD1 TYR 49 1HD TYR 49 3.578 1.341 -2.012
345 HD2 TYR 49 2HD TYR 49 4.071 -1.694 0.918
346 HE1 TYR 49 1HE TYR 49 2.463 -0.257 -3.490
347 HE2 TYR 49 2HE TYR 49 2.963 -3.311 -0.546
348 HH TYR 49 HH TYR 49 1.338 -3.256 -2.451
349 H SER 50 H SER 50 6.194 0.460 2.731
350 HA SER 50 HA SER 50 7.137 -2.267 2.336
351 1HB SER 50 2HB SER 50 8.729 -1.363 4.432
352 2HB SER 50 1HB SER 50 9.263 -1.716 2.790
353 HG SER 50 HG SER 50 9.880 0.345 3.144
354 H ASN 51 H ASN 51 5.356 -3.162 3.252
355 HA ASN 51 HA ASN 51 3.813 -2.186 5.287
356 1HB ASN 51 2HB ASN 51 4.443 -5.111 4.934
357 2HB ASN 51 1HB ASN 51 3.017 -4.405 5.691
358 1HD2 ASN 51 1HD2 ASN 51 1.889 -5.772 4.135
359 2HD2 ASN 51 2HD2 ASN 51 1.617 -5.170 2.539
360 H GLY 52 H GLY 52 3.939 -1.952 7.373
361 1HA GLY 52 2HA GLY 52 4.776 -3.127 9.479
362 2HA GLY 52 1HA GLY 52 6.358 -2.965 8.733
363 HA PRO 53 HA PRO 53 5.162 0.879 11.257
364 1HB PRO 53 2HB PRO 53 6.563 0.438 13.522
365 2HB PRO 53 1HB PRO 53 4.909 -0.147 13.305
366 1HG PRO 53 2HG PRO 53 7.496 -1.628 13.022
367 2HG PRO 53 1HG PRO 53 5.986 -2.149 13.793
368 1HD PRO 53 2HD PRO 53 6.720 -2.910 11.282
369 2HD PRO 53 1HD PRO 53 5.028 -2.750 11.794
370 H CYS 54 H CYS 54 6.549 1.613 9.449
371 HA CYS 54 HA CYS 54 9.325 2.056 10.328
372 1HB CYS 54 2HB CYS 54 9.253 2.609 7.586
373 2HB CYS 54 1HB CYS 54 9.948 1.192 8.356
374 H GLU 55 H GLU 55 7.747 3.706 7.659
375 HA GLU 55 HA GLU 55 7.620 5.946 7.208
376 1HB GLU 55 2HB GLU 55 5.957 7.061 8.543
377 2HB GLU 55 1HB GLU 55 5.497 5.373 8.367
378 1HG GLU 55 2HG GLU 55 6.296 4.890 10.601
379 2HG GLU 55 1HG GLU 55 6.854 6.553 10.782
Start of MODEL 14
1 1H ALA 1 1H ALA 1 8.536 -5.371 2.535
2 2H ALA 1 2H ALA 1 7.209 -4.609 1.759
3 3H ALA 1 3H ALA 1 8.408 -3.663 2.541
4 HA ALA 1 HA ALA 1 9.980 -4.098 0.967
5 1HB ALA 1 1HB ALA 1 8.285 -6.465 0.424
6 2HB ALA 1 2HB ALA 1 10.041 -6.322 0.521
7 3HB ALA 1 3HB ALA 1 9.190 -5.791 -0.930
8 H HIS 2 H HIS 2 10.025 -3.414 -1.313
9 HA HIS 2 HA HIS 2 7.849 -1.575 -1.853
10 1HB HIS 2 2HB HIS 2 10.138 -1.858 -3.735
11 2HB HIS 2 1HB HIS 2 9.349 -0.400 -3.147
12 HD1 HIS 2 1HD HIS 2 9.793 -1.030 -0.081
13 HD2 HIS 2 2HD HIS 2 12.709 -1.129 -3.038
14 HE1 HIS 2 1HE HIS 2 11.972 -0.667 1.112
15 HE2 HIS 2 2HE HIS 2 13.733 -0.830 -0.681
16 H MET 3 H MET 3 6.796 -3.921 -2.072
17 HA MET 3 HA MET 3 5.875 -4.082 -4.735
18 1HB MET 3 2HB MET 3 6.705 -6.501 -5.095
19 2HB MET 3 1HB MET 3 7.797 -5.164 -5.430
20 1HG MET 3 2HG MET 3 8.176 -5.838 -2.729
21 2HG MET 3 1HG MET 3 8.108 -7.357 -3.619
22 1HE MET 3 1HE MET 3 10.776 -8.262 -4.618
23 2HE MET 3 2HE MET 3 10.150 -8.050 -2.983
24 3HE MET 3 3HE MET 3 11.741 -7.418 -3.408
25 H ASP 4 H ASP 4 6.396 -6.275 -1.976
26 HA ASP 4 HA ASP 4 4.282 -7.966 -2.229
27 1HB ASP 4 2HB ASP 4 5.869 -6.969 0.049
28 2HB ASP 4 1HB ASP 4 4.336 -7.732 0.465
29 H CYS 5 H CYS 5 2.237 -7.444 -2.717
30 HA CYS 5 HA CYS 5 0.623 -6.118 -0.744
31 1HB CYS 5 2HB CYS 5 -0.302 -4.435 -2.369
32 2HB CYS 5 1HB CYS 5 1.336 -4.115 -1.831
33 H THR 6 H THR 6 -1.628 -5.555 -2.392
34 HA THR 6 HA THR 6 -2.920 -8.005 -2.507
35 HB THR 6 HB THR 6 -4.161 -6.461 -4.472
36 HG1 THR 6 1HG THR 6 -3.245 -4.579 -4.255
37 1HG2 THR 6 1HG2 THR 6 -5.741 -5.839 -2.764
38 2HG2 THR 6 2HG2 THR 6 -4.592 -6.285 -1.502
39 3HG2 THR 6 3HG2 THR 6 -5.265 -7.524 -2.561
40 H GLU 7 H GLU 7 -0.619 -6.635 -4.816
41 HA GLU 7 HA GLU 7 -0.979 -7.314 -7.259
42 1HB GLU 7 2HB GLU 7 1.268 -8.213 -5.508
43 2HB GLU 7 1HB GLU 7 1.239 -8.721 -7.191
44 1HG GLU 7 2HG GLU 7 1.573 -6.599 -7.986
45 2HG GLU 7 1HG GLU 7 0.880 -5.838 -6.554
46 H PHE 8 H PHE 8 -2.831 -8.621 -7.482
47 HA PHE 8 HA PHE 8 -2.236 -11.381 -8.006
48 1HB PHE 8 2HB PHE 8 -4.003 -10.578 -5.708
49 2HB PHE 8 1HB PHE 8 -4.297 -12.083 -6.568
50 HD1 PHE 8 1HD PHE 8 -2.801 -10.764 -3.776
51 HD2 PHE 8 2HD PHE 8 -1.985 -13.451 -6.974
52 HE1 PHE 8 1HE PHE 8 -1.094 -11.881 -2.398
53 HE2 PHE 8 2HE PHE 8 -0.278 -14.571 -5.602
54 HZ PHE 8 HZ PHE 8 0.170 -13.787 -3.311
55 H ASN 9 H ASN 9 -4.958 -12.263 -8.141
56 HA ASN 9 HA ASN 9 -5.713 -11.096 -10.621
57 1HB ASN 9 2HB ASN 9 -6.571 -13.334 -8.958
58 2HB ASN 9 1HB ASN 9 -7.930 -12.514 -9.721
59 1HD2 ASN 9 1HD2 ASN 9 -4.612 -13.290 -10.718
60 2HD2 ASN 9 2HD2 ASN 9 -5.058 -14.073 -12.193
61 HA PRO 10 HA PRO 10 -9.167 -8.942 -8.183
62 1HB PRO 10 2HB PRO 10 -9.694 -9.539 -5.645
63 2HB PRO 10 1HB PRO 10 -10.153 -10.651 -6.940
64 1HG PRO 10 2HG PRO 10 -7.876 -10.810 -5.022
65 2HG PRO 10 1HG PRO 10 -8.875 -12.111 -5.689
66 1HD PRO 10 2HD PRO 10 -6.330 -11.332 -6.596
67 2HD PRO 10 1HD PRO 10 -7.471 -12.392 -7.447
68 H LEU 11 H LEU 11 -7.595 -7.193 -8.411
69 HA LEU 11 HA LEU 11 -5.745 -6.431 -6.479
70 1HB LEU 11 2HB LEU 11 -7.320 -4.654 -8.340
71 2HB LEU 11 1HB LEU 11 -5.874 -4.174 -7.471
72 HG LEU 11 HG LEU 11 -6.057 -6.239 -9.664
73 1HD1 LEU 11 1HD1 LEU 11 -5.214 -3.408 -9.508
74 2HD1 LEU 11 2HD1 LEU 11 -5.947 -4.305 -10.838
75 3HD1 LEU 11 3HD1 LEU 11 -4.226 -4.487 -10.492
76 1HD2 LEU 11 1HD2 LEU 11 -3.677 -5.389 -8.019
77 2HD2 LEU 11 2HD2 LEU 11 -3.631 -6.448 -9.428
78 3HD2 LEU 11 3HD2 LEU 11 -4.471 -6.963 -7.965
79 H CYS 12 H CYS 12 -5.916 -4.201 -5.356
80 HA CYS 12 HA CYS 12 -6.960 -4.252 -3.032
81 1HB CYS 12 2HB CYS 12 -7.089 -1.941 -2.867
82 2HB CYS 12 1HB CYS 12 -5.944 -2.224 -4.163
83 H ARG 13 H ARG 13 -8.587 -5.863 -3.458
84 HA ARG 13 HA ARG 13 -11.267 -4.882 -4.072
85 1HB ARG 13 2HB ARG 13 -10.295 -7.235 -4.663
86 2HB ARG 13 1HB ARG 13 -10.666 -7.623 -2.987
87 1HG ARG 13 2HG ARG 13 -12.973 -7.296 -3.310
88 2HG ARG 13 1HG ARG 13 -12.719 -6.490 -4.860
89 1HD ARG 13 2HD ARG 13 -11.533 -8.917 -5.273
90 2HD ARG 13 1HD ARG 13 -12.881 -9.342 -4.220
91 HE ARG 13 HE ARG 13 -13.844 -7.662 -6.235
92 1HH1 ARG 13 1HH1 ARG 13 -12.510 -10.867 -5.882
93 2HH1 ARG 13 2HH1 ARG 13 -13.363 -11.508 -7.246
94 1HH2 ARG 13 1HH2 ARG 13 -14.962 -8.500 -8.033
95 2HH2 ARG 13 2HH2 ARG 13 -14.755 -10.164 -8.469
96 H CYS 14 H CYS 14 -10.021 -3.627 -1.992
97 HA CYS 14 HA CYS 14 -11.575 -4.459 0.326
98 1HB CYS 14 2HB CYS 14 -9.286 -3.066 1.188
99 2HB CYS 14 1HB CYS 14 -9.649 -4.771 1.419
100 H ASN 15 H ASN 15 -10.997 -2.416 1.898
101 HA ASN 15 HA ASN 15 -12.171 -0.111 0.519
102 1HB ASN 15 2HB ASN 15 -13.208 -1.461 2.609
103 2HB ASN 15 1HB ASN 15 -12.315 -0.235 3.461
104 1HD2 ASN 15 1HD2 ASN 15 -12.641 1.765 1.409
105 2HD2 ASN 15 2HD2 ASN 15 -14.281 2.286 1.497
106 H LYS 16 H LYS 16 -11.768 1.398 2.982
107 HA LYS 16 HA LYS 16 -8.885 1.950 2.844
108 1HB LYS 16 2HB LYS 16 -10.188 3.704 1.630
109 2HB LYS 16 1HB LYS 16 -11.082 4.022 3.111
110 1HG LYS 16 2HG LYS 16 -9.540 5.561 3.555
111 2HG LYS 16 1HG LYS 16 -8.447 4.219 3.901
112 1HD LYS 16 2HD LYS 16 -7.752 4.214 1.536
113 2HD LYS 16 1HD LYS 16 -8.794 5.610 1.248
114 1HE LYS 16 2HE LYS 16 -6.699 6.567 1.571
115 2HE LYS 16 1HE LYS 16 -7.462 6.722 3.153
116 1HZ LYS 16 1HZ LYS 16 -5.603 5.767 3.899
117 2HZ LYS 16 2HZ LYS 16 -5.147 5.201 2.372
118 3HZ LYS 16 3HZ LYS 16 -6.243 4.316 3.307
119 H MET 17 H MET 17 -10.941 0.475 4.482
120 HA MET 17 HA MET 17 -11.402 1.601 6.960
121 1HB MET 17 2HB MET 17 -11.950 -0.539 7.666
122 2HB MET 17 1HB MET 17 -12.182 -0.622 5.927
123 1HG MET 17 2HG MET 17 -9.520 -1.366 6.368
124 2HG MET 17 1HG MET 17 -10.461 -2.179 7.616
125 1HE MET 17 1HE MET 17 -9.267 -4.327 4.634
126 2HE MET 17 2HE MET 17 -10.147 -5.095 5.955
127 3HE MET 17 3HE MET 17 -8.988 -3.810 6.298
128 H LEU 18 H LEU 18 -10.347 0.190 8.923
129 HA LEU 18 HA LEU 18 -7.852 1.471 9.329
130 1HB LEU 18 2HB LEU 18 -7.798 -0.057 11.417
131 2HB LEU 18 1HB LEU 18 -9.002 1.209 11.307
132 HG LEU 18 HG LEU 18 -9.696 -1.114 12.184
133 1HD1 LEU 18 1HD1 LEU 18 -11.070 0.870 10.642
134 2HD1 LEU 18 2HD1 LEU 18 -11.649 -0.099 11.996
135 3HD1 LEU 18 3HD1 LEU 18 -11.773 -0.721 10.351
136 1HD2 LEU 18 1HD2 LEU 18 -9.517 -1.653 9.231
137 2HD2 LEU 18 2HD2 LEU 18 -10.557 -2.578 10.311
138 3HD2 LEU 18 3HD2 LEU 18 -8.812 -2.572 10.559
139 H GLY 19 H GLY 19 -6.926 0.502 7.301
140 1HA GLY 19 2HA GLY 19 -6.147 -2.211 7.190
141 2HA GLY 19 1HA GLY 19 -5.414 -0.895 6.284
142 H ASP 20 H ASP 20 -3.394 -2.046 6.622
143 HA ASP 20 HA ASP 20 -2.357 -2.181 9.313
144 1HB ASP 20 2HB ASP 20 -0.667 -2.636 6.890
145 2HB ASP 20 1HB ASP 20 -0.641 -3.454 8.442
146 H LEU 21 H LEU 21 0.008 -1.408 9.552
147 HA LEU 21 HA LEU 21 0.054 1.436 8.865
148 1HB LEU 21 2HB LEU 21 1.775 1.575 10.626
149 2HB LEU 21 1HB LEU 21 0.256 0.913 11.206
150 HG LEU 21 HG LEU 21 2.236 -1.084 10.319
151 1HD1 LEU 21 1HD1 LEU 21 3.484 0.818 11.560
152 2HD1 LEU 21 2HD1 LEU 21 3.759 -0.858 12.033
153 3HD1 LEU 21 3HD1 LEU 21 2.689 0.164 12.992
154 1HD2 LEU 21 1HD2 LEU 21 0.065 -0.781 12.278
155 2HD2 LEU 21 2HD2 LEU 21 1.422 -1.785 12.792
156 3HD2 LEU 21 3HD2 LEU 21 0.544 -2.178 11.314
157 H ILE 22 H ILE 22 0.736 1.112 6.681
158 HA ILE 22 HA ILE 22 3.415 0.019 6.299
159 HB ILE 22 HB ILE 22 1.941 -0.838 4.708
160 1HG1 ILE 22 2HG1 ILE 22 4.096 0.383 3.837
161 2HG1 ILE 22 1HG1 ILE 22 2.937 -0.334 2.724
162 1HG2 ILE 22 1HG2 ILE 22 0.837 1.918 4.599
163 2HG2 ILE 22 2HG2 ILE 22 -0.002 0.378 4.795
164 3HG2 ILE 22 3HG2 ILE 22 0.632 0.845 3.216
165 1HD1 ILE 22 1HD1 ILE 22 3.855 2.113 2.401
166 2HD1 ILE 22 2HD1 ILE 22 2.525 2.498 3.485
167 3HD1 ILE 22 3HD1 ILE 22 2.211 1.671 1.959
168 H CYS 23 H CYS 23 4.999 1.163 5.069
169 HA CYS 23 HA CYS 23 4.763 4.106 5.323
170 1HB CYS 23 2HB CYS 23 6.466 3.033 6.825
171 2HB CYS 23 1HB CYS 23 7.313 2.476 5.389
172 H ALA 24 H ALA 24 3.889 4.299 3.226
173 HA ALA 24 HA ALA 24 5.437 3.234 1.022
174 1HB ALA 24 1HB ALA 24 3.327 4.766 -0.007
175 2HB ALA 24 2HB ALA 24 2.703 3.969 1.438
176 3HB ALA 24 3HB ALA 24 3.423 3.011 0.143
177 H VAL 25 H VAL 25 6.572 4.303 -0.417
178 HA VAL 25 HA VAL 25 6.703 7.223 -0.381
179 HB VAL 25 HB VAL 25 8.572 6.294 0.932
180 1HG1 VAL 25 1HG1 VAL 25 9.241 4.901 -1.644
181 2HG1 VAL 25 2HG1 VAL 25 8.920 4.176 -0.070
182 3HG1 VAL 25 3HG1 VAL 25 10.391 5.115 -0.324
183 1HG2 VAL 25 1HG2 VAL 25 9.732 7.382 -1.603
184 2HG2 VAL 25 2HG2 VAL 25 10.182 7.729 0.066
185 3HG2 VAL 25 3HG2 VAL 25 8.682 8.380 -0.595
186 H ILE 26 H ILE 26 7.144 8.165 -2.340
187 HA ILE 26 HA ILE 26 7.788 6.515 -4.631
188 HB ILE 26 HB ILE 26 5.732 7.670 -5.848
189 1HG1 ILE 26 2HG1 ILE 26 5.004 8.685 -3.626
190 2HG1 ILE 26 1HG1 ILE 26 3.766 7.840 -4.545
191 1HG2 ILE 26 1HG2 ILE 26 6.467 5.165 -5.317
192 2HG2 ILE 26 2HG2 ILE 26 4.945 5.572 -6.106
193 3HG2 ILE 26 3HG2 ILE 26 4.976 5.220 -4.380
194 1HD1 ILE 26 1HD1 ILE 26 3.339 7.021 -2.476
195 2HD1 ILE 26 2HD1 ILE 26 5.011 7.150 -1.951
196 3HD1 ILE 26 3HD1 ILE 26 4.521 5.826 -3.001
197 H GLY 27 H GLY 27 9.572 7.788 -4.883
198 1HA GLY 27 2HA GLY 27 10.799 9.428 -5.902
199 2HA GLY 27 1HA GLY 27 9.291 10.063 -6.537
200 H ASP 28 H ASP 28 7.904 10.977 -4.593
201 HA ASP 28 HA ASP 28 9.516 12.449 -2.690
202 1HB ASP 28 2HB ASP 28 8.579 14.644 -3.416
203 2HB ASP 28 1HB ASP 28 9.661 13.921 -4.602
204 H ALA 29 H ALA 29 7.269 10.444 -2.801
205 HA ALA 29 HA ALA 29 5.432 11.967 -1.063
206 1HB ALA 29 1HB ALA 29 4.027 9.778 -2.212
207 2HB ALA 29 2HB ALA 29 4.788 10.693 -3.514
208 3HB ALA 29 3HB ALA 29 3.709 11.505 -2.381
209 H LYS 30 H LYS 30 6.826 11.196 0.640
210 HA LYS 30 HA LYS 30 6.570 8.326 1.194
211 1HB LYS 30 2HB LYS 30 8.275 9.091 3.097
212 2HB LYS 30 1HB LYS 30 8.807 8.684 1.475
213 1HG LYS 30 2HG LYS 30 8.137 11.505 2.219
214 2HG LYS 30 1HG LYS 30 9.722 10.813 2.567
215 1HD LYS 30 2HD LYS 30 8.716 10.408 -0.176
216 2HD LYS 30 1HD LYS 30 9.097 12.074 0.262
217 1HE LYS 30 2HE LYS 30 11.222 10.548 1.244
218 2HE LYS 30 1HE LYS 30 10.868 9.879 -0.349
219 1HZ LYS 30 1HZ LYS 30 10.792 12.493 -0.866
220 2HZ LYS 30 2HZ LYS 30 12.187 11.548 -1.025
221 3HZ LYS 30 3HZ LYS 30 11.947 12.472 0.372
222 H GLU 31 H GLU 31 4.780 7.913 2.344
223 HA GLU 31 HA GLU 31 4.463 9.147 4.933
224 1HB GLU 31 2HB GLU 31 3.147 10.394 2.895
225 2HB GLU 31 1HB GLU 31 1.932 9.239 3.426
226 1HG GLU 31 2HG GLU 31 1.642 11.354 4.554
227 2HG GLU 31 1HG GLU 31 2.107 10.104 5.705
228 H GLU 32 H GLU 32 2.545 8.162 6.108
229 HA GLU 32 HA GLU 32 2.701 5.320 5.825
230 1HB GLU 32 2HB GLU 32 2.029 7.099 7.880
231 2HB GLU 32 1HB GLU 32 0.555 6.197 7.559
232 1HG GLU 32 2HG GLU 32 1.796 5.100 9.287
233 2HG GLU 32 1HG GLU 32 1.810 4.099 7.836
234 H HIS 33 H HIS 33 0.763 3.935 5.778
235 HA HIS 33 HA HIS 33 -1.562 5.045 4.448
236 1HB HIS 33 2HB HIS 33 0.515 3.587 3.023
237 2HB HIS 33 1HB HIS 33 -1.059 2.813 2.868
238 HD1 HIS 33 1HD HIS 33 -3.029 4.489 1.997
239 HD2 HIS 33 2HD HIS 33 0.895 5.688 1.342
240 HE1 HIS 33 1HE HIS 33 -3.155 6.258 0.214
241 HE2 HIS 33 2HE HIS 33 -0.778 7.029 -0.105
242 H ARG 34 H ARG 34 -3.383 3.980 4.948
243 HA ARG 34 HA ARG 34 -3.213 1.851 6.888
244 1HB ARG 34 2HB ARG 34 -5.351 3.593 5.795
245 2HB ARG 34 1HB ARG 34 -5.837 2.044 6.468
246 1HG ARG 34 2HG ARG 34 -5.948 3.934 8.077
247 2HG ARG 34 1HG ARG 34 -4.919 2.600 8.602
248 1HD ARG 34 2HD ARG 34 -3.515 4.664 7.073
249 2HD ARG 34 1HD ARG 34 -4.207 5.240 8.588
250 HE ARG 34 HE ARG 34 -2.750 2.791 8.882
251 1HH1 ARG 34 1HH1 ARG 34 -2.449 6.266 8.726
252 2HH1 ARG 34 2HH1 ARG 34 -0.973 6.303 9.632
253 1HH2 ARG 34 1HH2 ARG 34 -0.811 2.839 10.074
254 2HH2 ARG 34 2HH2 ARG 34 -0.044 4.357 10.397
255 H ASN 35 H ASN 35 -5.429 2.076 4.124
256 HA ASN 35 HA ASN 35 -5.358 -0.779 3.791
257 1HB ASN 35 2HB ASN 35 -6.958 1.463 2.700
258 2HB ASN 35 1HB ASN 35 -6.787 0.050 1.660
259 1HD2 ASN 35 1HD2 ASN 35 -7.973 -1.711 2.073
260 2HD2 ASN 35 2HD2 ASN 35 -9.014 -1.905 3.436
261 H MET 36 H MET 36 -3.002 -0.630 3.444
262 HA MET 36 HA MET 36 -1.655 0.431 1.340
263 1HB MET 36 2HB MET 36 -0.508 -0.744 3.057
264 2HB MET 36 1HB MET 36 -1.369 -2.232 2.711
265 1HG MET 36 2HG MET 36 -0.002 -1.407 0.351
266 2HG MET 36 1HG MET 36 1.126 -1.363 1.705
267 1HE MET 36 1HE MET 36 -1.471 -3.661 -0.245
268 2HE MET 36 2HE MET 36 -1.993 -3.665 1.440
269 3HE MET 36 3HE MET 36 -1.340 -5.135 0.716
270 H CYS 37 H CYS 37 -3.920 -2.224 1.280
271 HA CYS 37 HA CYS 37 -3.196 -3.325 -1.203
272 1HB CYS 37 2HB CYS 37 -5.324 -4.426 -1.201
273 2HB CYS 37 1HB CYS 37 -4.737 -4.395 0.456
274 H ALA 38 H ALA 38 -5.500 -0.769 -0.363
275 HA ALA 38 HA ALA 38 -6.436 -0.258 -2.971
276 1HB ALA 38 1HB ALA 38 -7.491 0.591 -0.876
277 2HB ALA 38 2HB ALA 38 -7.266 1.828 -2.112
278 3HB ALA 38 3HB ALA 38 -6.168 1.749 -0.734
279 H LEU 39 H LEU 39 -3.558 0.629 -1.269
280 HA LEU 39 HA LEU 39 -2.692 2.695 -3.036
281 1HB LEU 39 2HB LEU 39 -1.807 1.421 -0.657
282 2HB LEU 39 1HB LEU 39 -0.494 1.348 -1.807
283 HG LEU 39 HG LEU 39 -1.669 3.707 -0.428
284 1HD1 LEU 39 1HD1 LEU 39 0.337 3.280 0.512
285 2HD1 LEU 39 2HD1 LEU 39 0.934 4.220 -0.856
286 3HD1 LEU 39 3HD1 LEU 39 0.957 2.458 -0.919
287 1HD2 LEU 39 1HD2 LEU 39 -0.574 3.746 -3.229
288 2HD2 LEU 39 2HD2 LEU 39 -0.491 5.152 -2.168
289 3HD2 LEU 39 3HD2 LEU 39 -2.057 4.479 -2.616
290 H CYS 40 H CYS 40 -1.973 -0.736 -2.706
291 HA CYS 40 HA CYS 40 -0.048 -0.946 -4.713
292 1HB CYS 40 2HB CYS 40 -0.400 -2.705 -3.084
293 2HB CYS 40 1HB CYS 40 -2.020 -2.999 -3.706
294 H CYS 41 H CYS 41 -3.542 -0.954 -4.839
295 HA CYS 41 HA CYS 41 -3.589 -1.737 -7.621
296 1HB CYS 41 2HB CYS 41 -5.840 -1.988 -7.353
297 2HB CYS 41 1HB CYS 41 -5.304 -2.181 -5.701
298 H GLU 42 H GLU 42 -3.922 1.154 -5.702
299 HA GLU 42 HA GLU 42 -4.562 2.785 -8.031
300 1HB GLU 42 2HB GLU 42 -5.579 3.062 -5.690
301 2HB GLU 42 1HB GLU 42 -4.058 3.834 -5.260
302 1HG GLU 42 2HG GLU 42 -5.042 4.965 -7.694
303 2HG GLU 42 1HG GLU 42 -6.314 4.990 -6.473
304 H HIS 43 H HIS 43 -1.724 1.573 -7.010
305 HA HIS 43 HA HIS 43 -0.134 3.977 -7.051
306 1HB HIS 43 2HB HIS 43 1.791 2.513 -6.847
307 2HB HIS 43 1HB HIS 43 0.550 2.041 -5.701
308 HD1 HIS 43 1HD HIS 43 0.160 0.877 -9.230
309 HD2 HIS 43 2HD HIS 43 1.674 -0.528 -5.624
310 HE1 HIS 43 1HE HIS 43 0.542 -1.579 -9.578
311 HE2 HIS 43 2HE HIS 43 1.370 -2.427 -7.354
312 HA PRO 44 HA PRO 44 0.906 4.364 -11.293
313 1HB PRO 44 2HB PRO 44 3.797 4.270 -10.776
314 2HB PRO 44 1HB PRO 44 2.805 5.611 -11.350
315 1HG PRO 44 2HG PRO 44 3.864 5.578 -8.875
316 2HG PRO 44 1HG PRO 44 2.290 6.320 -9.219
317 1HD PRO 44 2HD PRO 44 2.909 3.653 -8.001
318 2HD PRO 44 1HD PRO 44 1.659 4.834 -7.550
319 H GLY 45 H GLY 45 3.656 2.419 -10.123
320 1HA GLY 45 2HA GLY 45 2.784 0.116 -11.643
321 2HA GLY 45 1HA GLY 45 4.193 0.929 -12.305
322 H GLY 46 H GLY 46 3.673 0.879 -8.866
323 1HA GLY 46 2HA GLY 46 4.613 -1.312 -7.786
324 2HA GLY 46 1HA GLY 46 6.078 -0.778 -8.595
325 H PHE 47 H PHE 47 3.564 0.491 -6.411
326 HA PHE 47 HA PHE 47 5.041 2.594 -5.336
327 1HB PHE 47 2HB PHE 47 2.556 1.274 -4.785
328 2HB PHE 47 1HB PHE 47 3.410 1.524 -3.266
329 HD1 PHE 47 1HD PHE 47 3.445 3.673 -6.285
330 HD2 PHE 47 2HD PHE 47 2.181 3.217 -2.256
331 HE1 PHE 47 1HE PHE 47 2.682 6.011 -6.267
332 HE2 PHE 47 2HE PHE 47 1.416 5.555 -2.224
333 HZ PHE 47 HZ PHE 47 1.665 6.956 -4.234
334 H GLU 48 H GLU 48 6.438 2.789 -3.591
335 HA GLU 48 HA GLU 48 7.569 0.215 -2.639
336 1HB GLU 48 2HB GLU 48 9.270 1.579 -3.590
337 2HB GLU 48 1HB GLU 48 8.659 3.029 -2.811
338 1HG GLU 48 2HG GLU 48 9.674 2.573 -0.842
339 2HG GLU 48 1HG GLU 48 9.600 0.831 -1.077
340 H TYR 49 H TYR 49 6.817 -0.394 -0.755
341 HA TYR 49 HA TYR 49 6.459 1.634 1.325
342 1HB TYR 49 2HB TYR 49 4.576 0.115 2.118
343 2HB TYR 49 1HB TYR 49 4.256 1.219 0.788
344 HD1 TYR 49 1HD TYR 49 3.342 0.394 -1.151
345 HD2 TYR 49 2HD TYR 49 5.348 -2.246 1.496
346 HE1 TYR 49 1HE TYR 49 2.691 -1.491 -2.548
347 HE2 TYR 49 2HE TYR 49 4.708 -4.151 0.116
348 HH TYR 49 HH TYR 49 3.453 -3.756 -3.036
349 H SER 50 H SER 50 6.574 0.832 3.449
350 HA SER 50 HA SER 50 7.860 -1.795 3.702
351 1HB SER 50 2HB SER 50 9.546 -1.009 5.134
352 2HB SER 50 1HB SER 50 9.520 0.128 3.787
353 HG SER 50 HG SER 50 8.437 0.478 6.382
354 H ASN 51 H ASN 51 6.116 -2.750 4.491
355 HA ASN 51 HA ASN 51 4.203 -1.752 6.166
356 1HB ASN 51 2HB ASN 51 5.201 -4.593 6.284
357 2HB ASN 51 1HB ASN 51 3.612 -3.994 6.756
358 1HD2 ASN 51 1HD2 ASN 51 2.130 -4.571 5.353
359 2HD2 ASN 51 2HD2 ASN 51 2.310 -4.622 3.636
360 H GLY 52 H GLY 52 4.016 -1.278 8.226
361 1HA GLY 52 2HA GLY 52 4.579 -1.951 10.559
362 2HA GLY 52 1HA GLY 52 6.251 -2.004 10.029
363 HA PRO 53 HA PRO 53 5.379 2.085 12.169
364 1HB PRO 53 2HB PRO 53 7.892 2.105 13.331
365 2HB PRO 53 1HB PRO 53 6.422 1.508 14.108
366 1HG PRO 53 2HG PRO 53 8.583 -0.015 12.714
367 2HG PRO 53 1HG PRO 53 7.700 -0.422 14.198
368 1HD PRO 53 2HD PRO 53 7.111 -1.590 11.861
369 2HD PRO 53 1HD PRO 53 5.840 -1.177 13.032
370 H CYS 54 H CYS 54 6.293 4.104 11.690
371 HA CYS 54 HA CYS 54 8.700 4.531 10.316
372 1HB CYS 54 2HB CYS 54 7.228 3.264 8.588
373 2HB CYS 54 1HB CYS 54 6.373 4.794 8.437
374 H GLU 55 H GLU 55 5.377 5.751 9.909
375 HA GLU 55 HA GLU 55 6.289 8.476 10.223
376 1HB GLU 55 2HB GLU 55 4.474 7.668 8.605
377 2HB GLU 55 1HB GLU 55 3.423 7.565 10.011
378 1HG GLU 55 2HG GLU 55 4.331 10.060 10.329
379 2HG GLU 55 1HG GLU 55 4.458 9.927 8.576
Start of MODEL 15
1 1H ALA 1 1H ALA 1 11.915 0.018 -5.483
2 2H ALA 1 2H ALA 1 12.178 -1.345 -4.473
3 3H ALA 1 3H ALA 1 11.451 0.072 -3.833
4 HA ALA 1 HA ALA 1 9.503 -0.257 -4.929
5 1HB ALA 1 1HB ALA 1 10.960 -0.978 -7.039
6 2HB ALA 1 2HB ALA 1 9.236 -1.326 -6.913
7 3HB ALA 1 3HB ALA 1 10.418 -2.577 -6.527
8 H HIS 2 H HIS 2 9.709 -0.951 -2.553
9 HA HIS 2 HA HIS 2 9.664 -3.822 -2.144
10 1HB HIS 2 2HB HIS 2 9.035 -1.790 -0.021
11 2HB HIS 2 1HB HIS 2 9.767 -3.380 0.157
12 HD1 HIS 2 1HD HIS 2 11.995 -2.924 -2.053
13 HD2 HIS 2 2HD HIS 2 11.117 -0.368 1.103
14 HE1 HIS 2 1HE HIS 2 14.085 -1.578 -1.678
15 HE2 HIS 2 2HE HIS 2 13.494 0.033 0.167
16 H MET 3 H MET 3 7.721 -3.528 -3.764
17 HA MET 3 HA MET 3 5.213 -2.768 -2.665
18 1HB MET 3 2HB MET 3 4.351 -4.230 -4.653
19 2HB MET 3 1HB MET 3 5.161 -2.704 -4.969
20 1HG MET 3 2HG MET 3 5.858 -4.542 -6.463
21 2HG MET 3 1HG MET 3 7.187 -3.822 -5.560
22 1HE MET 3 1HE MET 3 6.238 -7.499 -6.683
23 2HE MET 3 2HE MET 3 4.846 -6.525 -6.210
24 3HE MET 3 3HE MET 3 5.317 -7.919 -5.239
25 H ASP 4 H ASP 4 3.344 -4.422 -2.734
26 HA ASP 4 HA ASP 4 3.704 -7.122 -2.132
27 1HB ASP 4 2HB ASP 4 4.595 -5.565 -0.013
28 2HB ASP 4 1HB ASP 4 2.955 -5.991 0.465
29 H CYS 5 H CYS 5 1.890 -6.669 -3.669
30 HA CYS 5 HA CYS 5 -0.548 -5.591 -2.595
31 1HB CYS 5 2HB CYS 5 0.376 -5.700 -5.086
32 2HB CYS 5 1HB CYS 5 -0.504 -7.220 -5.099
33 H THR 6 H THR 6 -2.575 -7.221 -3.409
34 HA THR 6 HA THR 6 -2.697 -9.108 -1.362
35 HB THR 6 HB THR 6 -4.398 -9.254 -3.853
36 HG1 THR 6 1HG THR 6 -4.418 -7.337 -1.790
37 1HG2 THR 6 1HG2 THR 6 -4.825 -9.923 -0.965
38 2HG2 THR 6 2HG2 THR 6 -5.026 -10.954 -2.381
39 3HG2 THR 6 3HG2 THR 6 -6.170 -9.648 -2.071
40 H GLU 7 H GLU 7 -3.633 -10.724 -4.331
41 HA GLU 7 HA GLU 7 -1.219 -11.909 -5.016
42 1HB GLU 7 2HB GLU 7 -0.954 -13.762 -3.711
43 2HB GLU 7 1HB GLU 7 -1.649 -12.666 -2.533
44 1HG GLU 7 2HG GLU 7 -3.128 -14.250 -2.094
45 2HG GLU 7 1HG GLU 7 -3.858 -13.890 -3.657
46 H PHE 8 H PHE 8 -3.982 -11.104 -5.982
47 HA PHE 8 HA PHE 8 -4.202 -13.262 -7.884
48 1HB PHE 8 2HB PHE 8 -6.728 -13.533 -7.334
49 2HB PHE 8 1HB PHE 8 -5.543 -14.392 -6.364
50 HD1 PHE 8 1HD PHE 8 -7.046 -14.676 -4.519
51 HD2 PHE 8 2HD PHE 8 -6.087 -10.786 -5.958
52 HE1 PHE 8 1HE PHE 8 -7.999 -13.689 -2.478
53 HE2 PHE 8 2HE PHE 8 -7.035 -9.796 -3.918
54 HZ PHE 8 HZ PHE 8 -7.995 -11.246 -2.175
55 H ASN 9 H ASN 9 -6.734 -12.771 -8.902
56 HA ASN 9 HA ASN 9 -6.258 -10.427 -10.421
57 1HB ASN 9 2HB ASN 9 -8.902 -11.867 -10.274
58 2HB ASN 9 1HB ASN 9 -8.218 -10.979 -11.630
59 1HD2 ASN 9 1HD2 ASN 9 -8.541 -13.987 -10.115
60 2HD2 ASN 9 2HD2 ASN 9 -7.496 -14.894 -11.150
61 HA PRO 10 HA PRO 10 -10.018 -8.595 -7.947
62 1HB PRO 10 2HB PRO 10 -10.461 -9.724 -5.493
63 2HB PRO 10 1HB PRO 10 -11.347 -10.175 -6.954
64 1HG PRO 10 2HG PRO 10 -9.029 -11.537 -5.644
65 2HG PRO 10 1HG PRO 10 -10.483 -12.247 -6.371
66 1HD PRO 10 2HD PRO 10 -8.113 -12.205 -7.649
67 2HD PRO 10 1HD PRO 10 -9.653 -12.061 -8.517
68 H LEU 11 H LEU 11 -7.971 -7.341 -7.995
69 HA LEU 11 HA LEU 11 -6.069 -7.190 -6.012
70 1HB LEU 11 2HB LEU 11 -5.533 -5.060 -6.834
71 2HB LEU 11 1HB LEU 11 -6.129 -5.978 -8.203
72 HG LEU 11 HG LEU 11 -7.505 -3.744 -6.726
73 1HD1 LEU 11 1HD1 LEU 11 -5.870 -3.641 -8.848
74 2HD1 LEU 11 2HD1 LEU 11 -7.214 -2.525 -8.602
75 3HD1 LEU 11 3HD1 LEU 11 -7.407 -3.915 -9.669
76 1HD2 LEU 11 1HD2 LEU 11 -9.149 -5.523 -7.009
77 2HD2 LEU 11 2HD2 LEU 11 -8.743 -5.638 -8.722
78 3HD2 LEU 11 3HD2 LEU 11 -9.491 -4.171 -8.090
79 H CYS 12 H CYS 12 -5.955 -4.779 -4.934
80 HA CYS 12 HA CYS 12 -6.603 -4.736 -2.488
81 1HB CYS 12 2HB CYS 12 -7.048 -2.373 -2.458
82 2HB CYS 12 1HB CYS 12 -5.842 -2.734 -3.681
83 H ARG 13 H ARG 13 -8.316 -6.437 -2.688
84 HA ARG 13 HA ARG 13 -11.042 -5.436 -2.810
85 1HB ARG 13 2HB ARG 13 -10.318 -7.714 -3.668
86 2HB ARG 13 1HB ARG 13 -10.141 -8.196 -1.986
87 1HG ARG 13 2HG ARG 13 -12.265 -8.828 -2.082
88 2HG ARG 13 1HG ARG 13 -12.672 -7.111 -2.066
89 1HD ARG 13 2HD ARG 13 -13.320 -7.129 -4.211
90 2HD ARG 13 1HD ARG 13 -11.950 -8.119 -4.712
91 HE ARG 13 HE ARG 13 -14.579 -9.016 -4.287
92 1HH1 ARG 13 1HH1 ARG 13 -11.281 -9.960 -3.635
93 2HH1 ARG 13 2HH1 ARG 13 -11.641 -11.654 -3.606
94 1HH2 ARG 13 1HH2 ARG 13 -15.050 -11.243 -4.254
95 2HH2 ARG 13 2HH2 ARG 13 -13.779 -12.382 -3.960
96 H CYS 14 H CYS 14 -9.385 -4.289 -0.805
97 HA CYS 14 HA CYS 14 -10.886 -5.074 1.568
98 1HB CYS 14 2HB CYS 14 -9.044 -5.333 2.918
99 2HB CYS 14 1HB CYS 14 -8.388 -5.920 1.400
100 H ASN 15 H ASN 15 -12.028 -3.401 2.184
101 HA ASN 15 HA ASN 15 -11.042 -0.681 1.635
102 1HB ASN 15 2HB ASN 15 -13.589 -1.924 1.377
103 2HB ASN 15 1HB ASN 15 -13.727 -0.652 2.567
104 1HD2 ASN 15 1HD2 ASN 15 -11.866 1.139 1.580
105 2HD2 ASN 15 2HD2 ASN 15 -12.445 1.778 0.083
106 H LYS 16 H LYS 16 -12.434 -2.742 4.092
107 HA LYS 16 HA LYS 16 -12.973 -1.215 6.193
108 1HB LYS 16 2HB LYS 16 -12.561 -3.037 7.624
109 2HB LYS 16 1HB LYS 16 -12.954 -3.752 6.070
110 1HG LYS 16 2HG LYS 16 -10.307 -3.606 7.460
111 2HG LYS 16 1HG LYS 16 -11.161 -5.013 6.838
112 1HD LYS 16 2HD LYS 16 -10.798 -4.096 4.528
113 2HD LYS 16 1HD LYS 16 -9.752 -2.873 5.253
114 1HE LYS 16 2HE LYS 16 -9.357 -5.841 5.101
115 2HE LYS 16 1HE LYS 16 -8.279 -4.553 4.564
116 1HZ LYS 16 1HZ LYS 16 -7.426 -5.522 6.567
117 2HZ LYS 16 2HZ LYS 16 -8.893 -5.288 7.374
118 3HZ LYS 16 3HZ LYS 16 -7.958 -3.955 6.918
119 H MET 17 H MET 17 -11.399 0.527 5.377
120 HA MET 17 HA MET 17 -8.710 0.581 6.058
121 1HB MET 17 2HB MET 17 -9.175 3.102 6.480
122 2HB MET 17 1HB MET 17 -9.336 2.431 4.866
123 1HG MET 17 2HG MET 17 -11.580 2.715 4.818
124 2HG MET 17 1HG MET 17 -11.760 2.437 6.550
125 1HE MET 17 1HE MET 17 -12.890 5.089 7.787
126 2HE MET 17 2HE MET 17 -13.464 3.917 6.602
127 3HE MET 17 3HE MET 17 -13.480 5.638 6.219
128 H LEU 18 H LEU 18 -8.581 -0.626 7.978
129 HA LEU 18 HA LEU 18 -8.268 0.937 10.297
130 1HB LEU 18 2HB LEU 18 -9.951 0.049 11.731
131 2HB LEU 18 1HB LEU 18 -10.749 0.650 10.291
132 HG LEU 18 HG LEU 18 -10.189 -2.080 9.817
133 1HD1 LEU 18 1HD1 LEU 18 -10.067 -2.908 11.903
134 2HD1 LEU 18 2HD1 LEU 18 -11.823 -2.753 11.852
135 3HD1 LEU 18 3HD1 LEU 18 -10.849 -1.502 12.625
136 1HD2 LEU 18 1HD2 LEU 18 -12.054 -1.093 8.805
137 2HD2 LEU 18 2HD2 LEU 18 -12.666 -0.467 10.334
138 3HD2 LEU 18 3HD2 LEU 18 -12.739 -2.197 9.998
139 H GLY 19 H GLY 19 -6.465 -0.490 9.064
140 1HA GLY 19 2HA GLY 19 -5.990 -2.733 10.915
141 2HA GLY 19 1HA GLY 19 -5.764 -2.967 9.188
142 H ASP 20 H ASP 20 -3.605 -3.362 9.168
143 HA ASP 20 HA ASP 20 -1.613 -2.190 10.664
144 1HB ASP 20 2HB ASP 20 -1.318 -3.014 7.776
145 2HB ASP 20 1HB ASP 20 -0.072 -2.992 9.016
146 H LEU 21 H LEU 21 0.255 -0.999 9.358
147 HA LEU 21 HA LEU 21 -0.805 1.296 7.889
148 1HB LEU 21 2HB LEU 21 -0.841 1.978 10.240
149 2HB LEU 21 1HB LEU 21 0.851 1.545 10.401
150 HG LEU 21 HG LEU 21 1.550 3.346 9.027
151 1HD1 LEU 21 1HD1 LEU 21 -1.218 3.238 8.056
152 2HD1 LEU 21 2HD1 LEU 21 0.265 3.694 7.217
153 3HD1 LEU 21 3HD1 LEU 21 -0.560 4.863 8.249
154 1HD2 LEU 21 1HD2 LEU 21 -0.426 3.924 11.148
155 2HD2 LEU 21 2HD2 LEU 21 0.060 5.274 10.121
156 3HD2 LEU 21 3HD2 LEU 21 1.276 4.372 11.028
157 H ILE 22 H ILE 22 0.296 1.034 6.070
158 HA ILE 22 HA ILE 22 3.076 0.222 6.076
159 HB ILE 22 HB ILE 22 1.967 -0.835 4.343
160 1HG1 ILE 22 2HG1 ILE 22 3.930 0.732 3.582
161 2HG1 ILE 22 1HG1 ILE 22 2.994 -0.209 2.430
162 1HG2 ILE 22 1HG2 ILE 22 0.413 0.328 2.781
163 2HG2 ILE 22 2HG2 ILE 22 0.495 1.721 3.859
164 3HG2 ILE 22 3HG2 ILE 22 -0.155 0.188 4.443
165 1HD1 ILE 22 1HD1 ILE 22 3.471 2.402 2.148
166 2HD1 ILE 22 2HD1 ILE 22 1.952 2.479 3.031
167 3HD1 ILE 22 3HD1 ILE 22 2.049 1.597 1.507
168 H CYS 23 H CYS 23 4.714 1.433 4.867
169 HA CYS 23 HA CYS 23 4.217 4.342 4.942
170 1HB CYS 23 2HB CYS 23 7.036 3.702 5.071
171 2HB CYS 23 1HB CYS 23 6.064 4.678 6.163
172 H ALA 24 H ALA 24 3.655 4.543 2.814
173 HA ALA 24 HA ALA 24 5.288 3.352 0.767
174 1HB ALA 24 1HB ALA 24 3.677 4.894 -0.667
175 2HB ALA 24 2HB ALA 24 2.753 4.893 0.835
176 3HB ALA 24 3HB ALA 24 3.135 3.369 0.033
177 H VAL 25 H VAL 25 6.236 4.563 -0.969
178 HA VAL 25 HA VAL 25 6.858 7.360 -0.592
179 HB VAL 25 HB VAL 25 9.133 5.376 -0.650
180 1HG1 VAL 25 1HG1 VAL 25 10.499 7.115 -0.944
181 2HG1 VAL 25 2HG1 VAL 25 9.678 8.069 0.291
182 3HG1 VAL 25 3HG1 VAL 25 9.059 8.044 -1.359
183 1HG2 VAL 25 1HG2 VAL 25 9.551 6.086 1.699
184 2HG2 VAL 25 2HG2 VAL 25 8.068 5.154 1.490
185 3HG2 VAL 25 3HG2 VAL 25 7.989 6.905 1.683
186 H ILE 26 H ILE 26 7.440 8.358 -2.479
187 HA ILE 26 HA ILE 26 7.939 6.679 -4.837
188 HB ILE 26 HB ILE 26 6.473 8.955 -5.691
189 1HG1 ILE 26 2HG1 ILE 26 5.492 8.912 -3.399
190 2HG1 ILE 26 1HG1 ILE 26 4.310 8.639 -4.672
191 1HG2 ILE 26 1HG2 ILE 26 6.605 6.149 -6.152
192 2HG2 ILE 26 2HG2 ILE 26 5.972 7.421 -7.195
193 3HG2 ILE 26 3HG2 ILE 26 4.915 6.636 -6.023
194 1HD1 ILE 26 1HD1 ILE 26 4.994 6.991 -2.433
195 2HD1 ILE 26 2HD1 ILE 26 5.223 6.104 -3.941
196 3HD1 ILE 26 3HD1 ILE 26 3.660 6.836 -3.575
197 H GLY 27 H GLY 27 10.097 7.321 -4.629
198 1HA GLY 27 2HA GLY 27 11.924 8.539 -5.318
199 2HA GLY 27 1HA GLY 27 10.805 9.644 -6.102
200 H ASP 28 H ASP 28 9.418 10.816 -4.293
201 HA ASP 28 HA ASP 28 10.946 11.591 -1.977
202 1HB ASP 28 2HB ASP 28 10.848 14.039 -2.637
203 2HB ASP 28 1HB ASP 28 12.021 13.061 -3.514
204 H ALA 29 H ALA 29 8.307 10.436 -2.743
205 HA ALA 29 HA ALA 29 6.623 12.398 -1.322
206 1HB ALA 29 1HB ALA 29 5.553 12.559 -3.311
207 2HB ALA 29 2HB ALA 29 4.767 11.085 -2.747
208 3HB ALA 29 3HB ALA 29 6.123 10.987 -3.870
209 H LYS 30 H LYS 30 7.217 11.247 0.601
210 HA LYS 30 HA LYS 30 6.288 8.498 0.830
211 1HB LYS 30 2HB LYS 30 7.362 8.531 3.027
212 2HB LYS 30 1HB LYS 30 8.469 9.049 1.766
213 1HG LYS 30 2HG LYS 30 7.010 11.247 3.010
214 2HG LYS 30 1HG LYS 30 8.032 10.344 4.130
215 1HD LYS 30 2HD LYS 30 8.935 11.521 1.502
216 2HD LYS 30 1HD LYS 30 9.219 12.235 3.090
217 1HE LYS 30 2HE LYS 30 10.323 9.675 1.967
218 2HE LYS 30 1HE LYS 30 11.206 11.091 2.534
219 1HZ LYS 30 1HZ LYS 30 9.684 9.159 4.193
220 2HZ LYS 30 2HZ LYS 30 10.348 10.597 4.788
221 3HZ LYS 30 3HZ LYS 30 11.360 9.388 4.175
222 H GLU 31 H GLU 31 4.635 7.818 2.086
223 HA GLU 31 HA GLU 31 3.228 9.567 3.886
224 1HB GLU 31 2HB GLU 31 2.312 10.314 1.732
225 2HB GLU 31 1HB GLU 31 1.871 8.658 1.339
226 1HG GLU 31 2HG GLU 31 0.771 9.450 3.883
227 2HG GLU 31 1HG GLU 31 0.299 10.568 2.605
228 H GLU 32 H GLU 32 1.770 8.447 5.230
229 HA GLU 32 HA GLU 32 2.080 5.531 5.116
230 1HB GLU 32 2HB GLU 32 1.517 7.463 7.333
231 2HB GLU 32 1HB GLU 32 1.051 5.778 7.502
232 1HG GLU 32 2HG GLU 32 3.667 5.655 6.616
233 2HG GLU 32 1HG GLU 32 3.654 7.012 7.740
234 H HIS 33 H HIS 33 0.373 4.141 5.247
235 HA HIS 33 HA HIS 33 -2.327 5.114 5.516
236 1HB HIS 33 2HB HIS 33 -3.123 4.269 3.356
237 2HB HIS 33 1HB HIS 33 -1.949 5.565 3.145
238 HD1 HIS 33 1HD HIS 33 0.224 5.009 1.978
239 HD2 HIS 33 2HD HIS 33 -2.206 1.696 2.591
240 HE1 HIS 33 1HE HIS 33 1.252 3.165 0.627
241 HE2 HIS 33 2HE HIS 33 -0.185 1.147 1.073
242 H ARG 34 H ARG 34 -3.757 3.521 6.076
243 HA ARG 34 HA ARG 34 -2.571 1.103 7.052
244 1HB ARG 34 2HB ARG 34 -5.490 1.844 7.077
245 2HB ARG 34 1HB ARG 34 -4.679 0.676 8.110
246 1HG ARG 34 2HG ARG 34 -3.266 2.745 8.848
247 2HG ARG 34 1HG ARG 34 -4.645 3.652 8.222
248 1HD ARG 34 2HD ARG 34 -6.026 2.959 9.876
249 2HD ARG 34 1HD ARG 34 -5.278 1.366 9.977
250 HE ARG 34 HE ARG 34 -3.920 2.154 11.636
251 1HH1 ARG 34 1HH1 ARG 34 -5.290 4.875 9.930
252 2HH1 ARG 34 2HH1 ARG 34 -4.673 6.046 11.047
253 1HH2 ARG 34 1HH2 ARG 34 -3.111 3.694 13.108
254 2HH2 ARG 34 2HH2 ARG 34 -3.435 5.376 12.850
255 H ASN 35 H ASN 35 -4.954 1.869 4.524
256 HA ASN 35 HA ASN 35 -5.346 -0.913 3.914
257 1HB ASN 35 2HB ASN 35 -6.518 1.632 3.062
258 2HB ASN 35 1HB ASN 35 -6.402 0.437 1.772
259 1HD2 ASN 35 1HD2 ASN 35 -8.714 1.544 3.302
260 2HD2 ASN 35 2HD2 ASN 35 -9.547 0.161 3.910
261 H MET 36 H MET 36 -2.958 -1.193 3.675
262 HA MET 36 HA MET 36 -1.441 -0.234 1.576
263 1HB MET 36 2HB MET 36 -0.340 -1.491 3.246
264 2HB MET 36 1HB MET 36 -1.439 -2.846 3.068
265 1HG MET 36 2HG MET 36 0.138 -2.170 0.680
266 2HG MET 36 1HG MET 36 1.053 -2.772 2.063
267 1HE MET 36 1HE MET 36 1.518 -4.750 2.547
268 2HE MET 36 2HE MET 36 1.065 -6.231 1.702
269 3HE MET 36 3HE MET 36 0.148 -5.704 3.114
270 H CYS 37 H CYS 37 -4.093 -2.475 1.493
271 HA CYS 37 HA CYS 37 -3.365 -3.697 -0.969
272 1HB CYS 37 2HB CYS 37 -5.371 -4.871 -0.879
273 2HB CYS 37 1HB CYS 37 -4.995 -4.595 0.815
274 H ALA 38 H ALA 38 -5.713 -1.143 -0.178
275 HA ALA 38 HA ALA 38 -6.541 -0.633 -2.805
276 1HB ALA 38 1HB ALA 38 -7.668 0.245 -0.776
277 2HB ALA 38 2HB ALA 38 -7.368 1.482 -1.997
278 3HB ALA 38 3HB ALA 38 -6.335 1.381 -0.570
279 H LEU 39 H LEU 39 -3.646 0.213 -1.127
280 HA LEU 39 HA LEU 39 -2.872 2.225 -3.052
281 1HB LEU 39 2HB LEU 39 -2.069 1.378 -0.454
282 2HB LEU 39 1HB LEU 39 -0.670 1.283 -1.499
283 HG LEU 39 HG LEU 39 -1.596 3.525 -0.157
284 1HD1 LEU 39 1HD1 LEU 39 0.686 2.786 -1.300
285 2HD1 LEU 39 2HD1 LEU 39 0.350 4.453 -0.832
286 3HD1 LEU 39 3HD1 LEU 39 0.134 3.948 -2.505
287 1HD2 LEU 39 1HD2 LEU 39 -2.254 5.127 -1.774
288 2HD2 LEU 39 2HD2 LEU 39 -3.328 3.738 -1.938
289 3HD2 LEU 39 3HD2 LEU 39 -2.016 3.979 -3.092
290 H CYS 40 H CYS 40 -2.085 -1.085 -2.235
291 HA CYS 40 HA CYS 40 -0.008 -1.470 -4.076
292 1HB CYS 40 2HB CYS 40 -0.091 -3.721 -3.534
293 2HB CYS 40 1HB CYS 40 -0.826 -2.990 -2.115
294 H CYS 41 H CYS 41 -3.477 -1.513 -4.391
295 HA CYS 41 HA CYS 41 -3.357 -2.586 -7.082
296 1HB CYS 41 2HB CYS 41 -5.561 -3.031 -6.831
297 2HB CYS 41 1HB CYS 41 -5.145 -2.905 -5.138
298 H GLU 42 H GLU 42 -4.033 0.459 -5.462
299 HA GLU 42 HA GLU 42 -4.444 1.733 -8.081
300 1HB GLU 42 2HB GLU 42 -5.122 2.703 -5.309
301 2HB GLU 42 1HB GLU 42 -5.359 3.644 -6.773
302 1HG GLU 42 2HG GLU 42 -6.601 1.228 -7.314
303 2HG GLU 42 1HG GLU 42 -6.997 1.557 -5.628
304 H HIS 43 H HIS 43 -1.715 1.117 -6.910
305 HA HIS 43 HA HIS 43 -0.688 3.769 -6.338
306 1HB HIS 43 2HB HIS 43 1.550 2.618 -6.307
307 2HB HIS 43 1HB HIS 43 0.378 2.049 -5.130
308 HD1 HIS 43 1HD HIS 43 0.586 0.923 -8.745
309 HD2 HIS 43 2HD HIS 43 1.184 -0.496 -4.892
310 HE1 HIS 43 1HE HIS 43 1.026 -1.541 -9.005
311 HE2 HIS 43 2HE HIS 43 1.360 -2.390 -6.654
312 HA PRO 44 HA PRO 44 0.633 5.011 -10.314
313 1HB PRO 44 2HB PRO 44 3.300 5.772 -9.386
314 2HB PRO 44 1HB PRO 44 1.950 6.797 -9.877
315 1HG PRO 44 2HG PRO 44 2.773 6.625 -7.312
316 2HG PRO 44 1HG PRO 44 1.075 6.892 -7.751
317 1HD PRO 44 2HD PRO 44 2.439 4.351 -6.922
318 2HD PRO 44 1HD PRO 44 0.858 4.993 -6.426
319 H GLY 45 H GLY 45 0.996 2.255 -10.214
320 1HA GLY 45 2HA GLY 45 1.981 0.917 -11.908
321 2HA GLY 45 1HA GLY 45 3.358 2.002 -11.927
322 H GLY 46 H GLY 46 3.827 2.015 -9.097
323 1HA GLY 46 2HA GLY 46 4.013 -0.199 -7.640
324 2HA GLY 46 1HA GLY 46 5.142 -0.589 -8.927
325 H PHE 47 H PHE 47 4.429 2.149 -6.776
326 HA PHE 47 HA PHE 47 7.051 3.180 -6.762
327 1HB PHE 47 2HB PHE 47 6.202 4.359 -4.641
328 2HB PHE 47 1HB PHE 47 5.324 4.650 -6.138
329 HD1 PHE 47 1HD PHE 47 3.369 5.381 -4.892
330 HD2 PHE 47 2HD PHE 47 4.932 1.448 -4.444
331 HE1 PHE 47 1HE PHE 47 1.266 4.657 -3.850
332 HE2 PHE 47 2HE PHE 47 2.839 0.724 -3.401
333 HZ PHE 47 HZ PHE 47 1.000 2.319 -3.112
334 H GLU 48 H GLU 48 6.506 3.062 -3.497
335 HA GLU 48 HA GLU 48 7.550 0.435 -2.965
336 1HB GLU 48 2HB GLU 48 9.613 1.467 -1.814
337 2HB GLU 48 1HB GLU 48 9.640 1.257 -3.559
338 1HG GLU 48 2HG GLU 48 8.856 3.678 -3.692
339 2HG GLU 48 1HG GLU 48 9.291 3.783 -1.987
340 H TYR 49 H TYR 49 6.520 -0.151 -1.180
341 HA TYR 49 HA TYR 49 6.323 1.758 1.069
342 1HB TYR 49 2HB TYR 49 4.262 0.628 1.731
343 2HB TYR 49 1HB TYR 49 4.088 1.635 0.327
344 HD1 TYR 49 1HD TYR 49 2.887 0.799 -1.430
345 HD2 TYR 49 2HD TYR 49 4.745 -1.911 1.262
346 HE1 TYR 49 1HE TYR 49 1.781 -1.067 -2.556
347 HE2 TYR 49 2HE TYR 49 3.654 -3.796 0.140
348 HH TYR 49 HH TYR 49 1.179 -3.770 -1.484
349 H SER 50 H SER 50 5.977 0.713 3.117
350 HA SER 50 HA SER 50 6.880 -2.045 3.323
351 1HB SER 50 2HB SER 50 8.553 0.281 3.959
352 2HB SER 50 1HB SER 50 8.439 -0.900 5.263
353 HG SER 50 HG SER 50 9.277 -2.446 3.936
354 H ASN 51 H ASN 51 5.455 -2.953 4.639
355 HA ASN 51 HA ASN 51 3.570 -1.642 6.137
356 1HB ASN 51 2HB ASN 51 4.729 -4.343 6.815
357 2HB ASN 51 1HB ASN 51 3.156 -3.716 7.300
358 1HD2 ASN 51 1HD2 ASN 51 1.570 -4.575 6.194
359 2HD2 ASN 51 2HD2 ASN 51 1.609 -5.028 4.528
360 H GLY 52 H GLY 52 3.450 -0.736 8.074
361 1HA GLY 52 2HA GLY 52 4.286 -0.888 10.456
362 2HA GLY 52 1HA GLY 52 5.889 -0.755 9.749
363 HA PRO 53 HA PRO 53 4.226 3.541 10.521
364 1HB PRO 53 2HB PRO 53 5.132 4.144 12.941
365 2HB PRO 53 1HB PRO 53 3.700 3.124 12.749
366 1HG PRO 53 2HG PRO 53 6.503 2.350 13.424
367 2HG PRO 53 1HG PRO 53 4.978 1.689 14.038
368 1HD PRO 53 2HD PRO 53 6.551 0.589 11.990
369 2HD PRO 53 1HD PRO 53 4.872 0.158 12.363
370 H CYS 54 H CYS 54 5.518 4.646 9.115
371 HA CYS 54 HA CYS 54 8.257 5.248 10.009
372 1HB CYS 54 2HB CYS 54 7.598 5.077 7.086
373 2HB CYS 54 1HB CYS 54 9.168 5.008 7.869
374 H GLU 55 H GLU 55 5.790 6.252 7.639
375 HA GLU 55 HA GLU 55 6.689 8.995 7.760
376 1HB GLU 55 2HB GLU 55 4.688 7.465 6.158
377 2HB GLU 55 1HB GLU 55 4.496 9.208 6.278
378 1HG GLU 55 2HG GLU 55 5.729 8.611 4.287
379 2HG GLU 55 1HG GLU 55 6.750 9.519 5.401
Start of MODEL 16
1 1H ALA 1 1H ALA 1 11.041 -0.833 1.500
2 2H ALA 1 2H ALA 1 9.636 -0.277 0.685
3 3H ALA 1 3H ALA 1 11.121 -0.429 -0.163
4 HA ALA 1 HA ALA 1 11.094 -2.775 0.154
5 1HB ALA 1 1HB ALA 1 8.288 -2.665 1.138
6 2HB ALA 1 2HB ALA 1 9.598 -2.409 2.291
7 3HB ALA 1 3HB ALA 1 9.519 -3.908 1.365
8 H HIS 2 H HIS 2 11.042 -1.510 -2.019
9 HA HIS 2 HA HIS 2 8.577 -1.373 -3.435
10 1HB HIS 2 2HB HIS 2 10.975 -0.265 -3.857
11 2HB HIS 2 1HB HIS 2 11.148 -1.663 -4.911
12 HD1 HIS 2 1HD HIS 2 8.802 -1.910 -6.526
13 HD2 HIS 2 2HD HIS 2 10.025 1.844 -5.227
14 HE1 HIS 2 1HE HIS 2 7.730 -0.269 -8.102
15 HE2 HIS 2 2HE HIS 2 8.426 1.998 -7.254
16 H MET 3 H MET 3 7.699 -3.500 -3.021
17 HA MET 3 HA MET 3 8.216 -5.308 -5.147
18 1HB MET 3 2HB MET 3 9.569 -5.796 -2.573
19 2HB MET 3 1HB MET 3 8.760 -7.187 -3.280
20 1HG MET 3 2HG MET 3 10.204 -5.913 -5.347
21 2HG MET 3 1HG MET 3 11.273 -6.036 -3.952
22 1HE MET 3 1HE MET 3 10.694 -8.144 -2.418
23 2HE MET 3 2HE MET 3 11.278 -9.683 -3.051
24 3HE MET 3 3HE MET 3 9.549 -9.331 -3.044
25 H ASP 4 H ASP 4 7.406 -6.582 -1.983
26 HA ASP 4 HA ASP 4 5.148 -7.910 -2.674
27 1HB ASP 4 2HB ASP 4 6.177 -6.790 -0.131
28 2HB ASP 4 1HB ASP 4 4.469 -7.227 -0.143
29 H CYS 5 H CYS 5 3.507 -7.141 -3.849
30 HA CYS 5 HA CYS 5 1.771 -5.157 -2.710
31 1HB CYS 5 2HB CYS 5 3.700 -4.397 -4.751
32 2HB CYS 5 1HB CYS 5 2.047 -4.089 -5.268
33 H THR 6 H THR 6 -0.227 -4.894 -3.956
34 HA THR 6 HA THR 6 -1.472 -7.219 -4.655
35 HB THR 6 HB THR 6 -3.034 -5.741 -6.012
36 HG1 THR 6 1HG THR 6 -1.627 -4.132 -6.653
37 1HG2 THR 6 1HG2 THR 6 -2.317 -5.091 -3.181
38 2HG2 THR 6 2HG2 THR 6 -3.675 -6.035 -3.795
39 3HG2 THR 6 3HG2 THR 6 -3.644 -4.285 -4.016
40 H GLU 7 H GLU 7 0.723 -5.292 -6.706
41 HA GLU 7 HA GLU 7 0.083 -5.935 -9.247
42 1HB GLU 7 2HB GLU 7 2.527 -5.330 -7.828
43 2HB GLU 7 1HB GLU 7 2.840 -6.458 -9.141
44 1HG GLU 7 2HG GLU 7 2.933 -4.689 -10.472
45 2HG GLU 7 1HG GLU 7 1.184 -4.574 -10.288
46 H PHE 8 H PHE 8 -1.084 -7.915 -9.154
47 HA PHE 8 HA PHE 8 0.498 -10.188 -9.909
48 1HB PHE 8 2HB PHE 8 -0.007 -9.973 -7.214
49 2HB PHE 8 1HB PHE 8 -1.362 -10.955 -7.756
50 HD1 PHE 8 1HD PHE 8 -0.908 -13.102 -7.011
51 HD2 PHE 8 2HD PHE 8 2.158 -10.880 -8.955
52 HE1 PHE 8 1HE PHE 8 0.538 -15.092 -6.998
53 HE2 PHE 8 2HE PHE 8 3.608 -12.867 -8.947
54 HZ PHE 8 HZ PHE 8 2.798 -14.977 -7.968
55 H ASN 9 H ASN 9 -1.793 -12.022 -9.299
56 HA ASN 9 HA ASN 9 -3.284 -11.524 -11.669
57 1HB ASN 9 2HB ASN 9 -3.050 -13.660 -9.713
58 2HB ASN 9 1HB ASN 9 -4.728 -13.397 -10.181
59 1HD2 ASN 9 1HD2 ASN 9 -1.760 -14.753 -11.036
60 2HD2 ASN 9 2HD2 ASN 9 -2.169 -15.251 -12.639
61 HA PRO 10 HA PRO 10 -6.798 -10.124 -8.834
62 1HB PRO 10 2HB PRO 10 -6.889 -10.739 -6.255
63 2HB PRO 10 1HB PRO 10 -7.132 -11.993 -7.478
64 1HG PRO 10 2HG PRO 10 -4.753 -11.442 -5.778
65 2HG PRO 10 1HG PRO 10 -5.374 -12.989 -6.375
66 1HD PRO 10 2HD PRO 10 -3.270 -11.445 -7.489
67 2HD PRO 10 1HD PRO 10 -4.028 -12.885 -8.191
68 H LEU 11 H LEU 11 -6.067 -7.972 -9.148
69 HA LEU 11 HA LEU 11 -4.195 -6.647 -7.538
70 1HB LEU 11 2HB LEU 11 -6.518 -5.559 -9.124
71 2HB LEU 11 1HB LEU 11 -5.306 -4.547 -8.363
72 HG LEU 11 HG LEU 11 -4.648 -4.673 -10.607
73 1HD1 LEU 11 1HD1 LEU 11 -2.550 -5.872 -10.593
74 2HD1 LEU 11 2HD1 LEU 11 -3.080 -6.836 -9.215
75 3HD1 LEU 11 3HD1 LEU 11 -2.813 -5.102 -9.029
76 1HD2 LEU 11 1HD2 LEU 11 -4.999 -6.392 -12.026
77 2HD2 LEU 11 2HD2 LEU 11 -6.177 -6.869 -10.803
78 3HD2 LEU 11 3HD2 LEU 11 -4.578 -7.613 -10.826
79 H CYS 12 H CYS 12 -4.817 -4.639 -6.217
80 HA CYS 12 HA CYS 12 -5.485 -5.014 -3.782
81 1HB CYS 12 2HB CYS 12 -6.591 -2.855 -3.574
82 2HB CYS 12 1HB CYS 12 -5.208 -2.763 -4.653
83 H ARG 13 H ARG 13 -6.681 -7.070 -4.254
84 HA ARG 13 HA ARG 13 -9.598 -6.678 -4.179
85 1HB ARG 13 2HB ARG 13 -7.824 -9.007 -4.825
86 2HB ARG 13 1HB ARG 13 -9.464 -9.304 -4.268
87 1HG ARG 13 2HG ARG 13 -9.120 -7.356 -6.469
88 2HG ARG 13 1HG ARG 13 -8.843 -9.058 -6.838
89 1HD ARG 13 2HD ARG 13 -11.149 -8.510 -7.282
90 2HD ARG 13 1HD ARG 13 -11.062 -9.590 -5.892
91 HE ARG 13 HE ARG 13 -11.910 -7.917 -4.573
92 1HH1 ARG 13 1HH1 ARG 13 -10.898 -6.560 -7.624
93 2HH1 ARG 13 2HH1 ARG 13 -11.611 -5.012 -7.316
94 1HH2 ARG 13 1HH2 ARG 13 -12.853 -5.884 -4.167
95 2HH2 ARG 13 2HH2 ARG 13 -12.721 -4.629 -5.352
96 H CYS 14 H CYS 14 -7.836 -5.983 -2.017
97 HA CYS 14 HA CYS 14 -8.801 -7.836 0.046
98 1HB CYS 14 2HB CYS 14 -6.534 -6.362 0.972
99 2HB CYS 14 1HB CYS 14 -6.705 -8.100 0.771
100 H ASN 15 H ASN 15 -10.599 -6.719 0.620
101 HA ASN 15 HA ASN 15 -10.722 -3.900 0.956
102 1HB ASN 15 2HB ASN 15 -12.517 -6.105 1.037
103 2HB ASN 15 1HB ASN 15 -12.719 -5.194 2.526
104 1HD2 ASN 15 1HD2 ASN 15 -12.138 -2.642 1.591
105 2HD2 ASN 15 2HD2 ASN 15 -13.396 -2.147 0.516
106 H LYS 16 H LYS 16 -10.340 -6.595 3.154
107 HA LYS 16 HA LYS 16 -10.629 -5.985 5.606
108 1HB LYS 16 2HB LYS 16 -9.214 -7.853 4.994
109 2HB LYS 16 1HB LYS 16 -7.896 -6.759 4.594
110 1HG LYS 16 2HG LYS 16 -7.190 -6.736 6.700
111 2HG LYS 16 1HG LYS 16 -8.792 -6.290 7.289
112 1HD LYS 16 2HD LYS 16 -9.378 -8.454 7.738
113 2HD LYS 16 1HD LYS 16 -8.358 -9.111 6.456
114 1HE LYS 16 2HE LYS 16 -6.428 -8.975 7.759
115 2HE LYS 16 1HE LYS 16 -7.153 -7.824 8.880
116 1HZ LYS 16 1HZ LYS 16 -7.242 -9.741 10.094
117 2HZ LYS 16 2HZ LYS 16 -7.467 -10.738 8.746
118 3HZ LYS 16 3HZ LYS 16 -8.755 -9.814 9.338
119 H MET 17 H MET 17 -10.849 -3.528 5.012
120 HA MET 17 HA MET 17 -8.575 -1.875 5.349
121 1HB MET 17 2HB MET 17 -10.331 -0.156 6.082
122 2HB MET 17 1HB MET 17 -10.406 -0.774 4.438
123 1HG MET 17 2HG MET 17 -12.265 -2.123 4.911
124 2HG MET 17 1HG MET 17 -12.038 -1.963 6.652
125 1HE MET 17 1HE MET 17 -14.834 -1.658 5.396
126 2HE MET 17 2HE MET 17 -14.263 -0.993 3.866
127 3HE MET 17 3HE MET 17 -15.340 -0.046 4.891
128 H LEU 18 H LEU 18 -7.492 -2.883 7.032
129 HA LEU 18 HA LEU 18 -8.656 -2.579 9.706
130 1HB LEU 18 2HB LEU 18 -7.253 -4.263 10.478
131 2HB LEU 18 1HB LEU 18 -7.752 -4.818 8.892
132 HG LEU 18 HG LEU 18 -5.329 -3.344 8.596
133 1HD1 LEU 18 1HD1 LEU 18 -5.120 -5.570 10.613
134 2HD1 LEU 18 2HD1 LEU 18 -5.015 -3.853 11.004
135 3HD1 LEU 18 3HD1 LEU 18 -3.803 -4.595 9.958
136 1HD2 LEU 18 1HD2 LEU 18 -6.080 -6.242 8.295
137 2HD2 LEU 18 2HD2 LEU 18 -4.515 -5.585 7.816
138 3HD2 LEU 18 3HD2 LEU 18 -5.989 -5.012 7.035
139 H GLY 19 H GLY 19 -6.608 -2.451 11.302
140 1HA GLY 19 2HA GLY 19 -5.670 0.259 10.883
141 2HA GLY 19 1HA GLY 19 -5.481 -0.693 12.345
142 H ASP 20 H ASP 20 -4.325 -0.765 8.945
143 HA ASP 20 HA ASP 20 -1.822 -1.911 9.812
144 1HB ASP 20 2HB ASP 20 -2.138 -0.877 7.059
145 2HB ASP 20 1HB ASP 20 -1.426 -2.379 7.613
146 H LEU 21 H LEU 21 0.228 -0.886 9.028
147 HA LEU 21 HA LEU 21 0.146 2.006 8.927
148 1HB LEU 21 2HB LEU 21 2.197 1.695 10.576
149 2HB LEU 21 1HB LEU 21 0.552 1.911 11.139
150 HG LEU 21 HG LEU 21 0.385 -0.595 11.304
151 1HD1 LEU 21 1HD1 LEU 21 3.222 -0.313 10.477
152 2HD1 LEU 21 2HD1 LEU 21 2.037 -1.546 10.050
153 3HD1 LEU 21 3HD1 LEU 21 2.804 -1.570 11.639
154 1HD2 LEU 21 1HD2 LEU 21 0.601 0.493 13.342
155 2HD2 LEU 21 2HD2 LEU 21 2.235 1.051 12.986
156 3HD2 LEU 21 3HD2 LEU 21 1.945 -0.648 13.359
157 H ILE 22 H ILE 22 0.652 1.039 6.663
158 HA ILE 22 HA ILE 22 3.366 0.149 6.289
159 HB ILE 22 HB ILE 22 2.009 -0.765 4.650
160 1HG1 ILE 22 2HG1 ILE 22 3.994 0.600 3.727
161 2HG1 ILE 22 1HG1 ILE 22 2.790 -0.027 2.606
162 1HG2 ILE 22 1HG2 ILE 22 0.408 0.653 3.290
163 2HG2 ILE 22 2HG2 ILE 22 0.635 1.884 4.529
164 3HG2 ILE 22 3HG2 ILE 22 -0.035 0.310 4.961
165 1HD1 ILE 22 1HD1 ILE 22 3.034 2.102 1.830
166 2HD1 ILE 22 2HD1 ILE 22 3.323 2.762 3.434
167 3HD1 ILE 22 3HD1 ILE 22 1.698 2.324 2.956
168 H CYS 23 H CYS 23 5.020 1.296 5.245
169 HA CYS 23 HA CYS 23 4.717 4.230 5.401
170 1HB CYS 23 2HB CYS 23 7.288 2.638 5.464
171 2HB CYS 23 1HB CYS 23 7.095 4.357 5.794
172 H ALA 24 H ALA 24 3.861 4.482 3.317
173 HA ALA 24 HA ALA 24 5.188 3.356 1.051
174 1HB ALA 24 1HB ALA 24 3.345 5.497 0.433
175 2HB ALA 24 2HB ALA 24 2.661 4.309 1.542
176 3HB ALA 24 3HB ALA 24 3.302 3.792 -0.017
177 H VAL 25 H VAL 25 6.097 4.465 -0.677
178 HA VAL 25 HA VAL 25 6.902 7.231 -0.414
179 HB VAL 25 HB VAL 25 9.031 5.087 -0.453
180 1HG1 VAL 25 1HG1 VAL 25 9.651 7.094 -1.684
181 2HG1 VAL 25 2HG1 VAL 25 10.585 6.963 -0.195
182 3HG1 VAL 25 3HG1 VAL 25 9.234 8.091 -0.291
183 1HG2 VAL 25 1HG2 VAL 25 8.110 6.898 1.771
184 2HG2 VAL 25 2HG2 VAL 25 9.626 5.997 1.796
185 3HG2 VAL 25 3HG2 VAL 25 8.089 5.134 1.743
186 H ILE 26 H ILE 26 7.420 8.147 -2.257
187 HA ILE 26 HA ILE 26 7.545 6.504 -4.696
188 HB ILE 26 HB ILE 26 6.770 8.946 -5.629
189 1HG1 ILE 26 2HG1 ILE 26 6.351 9.580 -3.186
190 2HG1 ILE 26 1HG1 ILE 26 5.065 9.911 -4.338
191 1HG2 ILE 26 1HG2 ILE 26 5.830 6.362 -5.675
192 2HG2 ILE 26 2HG2 ILE 26 5.200 7.721 -6.602
193 3HG2 ILE 26 3HG2 ILE 26 4.459 7.286 -5.065
194 1HD1 ILE 26 1HD1 ILE 26 5.196 7.708 -2.302
195 2HD1 ILE 26 2HD1 ILE 26 4.001 7.758 -3.597
196 3HD1 ILE 26 3HD1 ILE 26 4.051 9.045 -2.391
197 H GLY 27 H GLY 27 8.381 8.172 -6.489
198 1HA GLY 27 2HA GLY 27 11.036 8.365 -6.436
199 2HA GLY 27 1HA GLY 27 10.071 9.610 -7.215
200 H ASP 28 H ASP 28 8.902 10.597 -4.744
201 HA ASP 28 HA ASP 28 11.007 11.366 -2.987
202 1HB ASP 28 2HB ASP 28 11.053 13.745 -3.519
203 2HB ASP 28 1HB ASP 28 11.541 12.793 -4.918
204 H ALA 29 H ALA 29 8.198 10.287 -2.907
205 HA ALA 29 HA ALA 29 7.196 12.301 -1.001
206 1HB ALA 29 1HB ALA 29 6.025 11.795 -3.486
207 2HB ALA 29 2HB ALA 29 5.348 12.720 -2.146
208 3HB ALA 29 3HB ALA 29 4.991 10.999 -2.299
209 H LYS 30 H LYS 30 6.938 11.408 0.942
210 HA LYS 30 HA LYS 30 6.353 8.522 1.064
211 1HB LYS 30 2HB LYS 30 7.394 8.618 3.347
212 2HB LYS 30 1HB LYS 30 8.500 8.910 2.012
213 1HG LYS 30 2HG LYS 30 8.656 11.191 2.484
214 2HG LYS 30 1HG LYS 30 7.206 11.172 3.490
215 1HD LYS 30 2HD LYS 30 9.229 11.332 4.854
216 2HD LYS 30 1HD LYS 30 8.373 9.820 5.157
217 1HE LYS 30 2HE LYS 30 10.340 8.816 4.823
218 2HE LYS 30 1HE LYS 30 10.092 9.160 3.112
219 1HZ LYS 30 1HZ LYS 30 11.417 11.080 4.934
220 2HZ LYS 30 2HZ LYS 30 11.426 11.070 3.244
221 3HZ LYS 30 3HZ LYS 30 12.278 9.886 4.099
222 H GLU 31 H GLU 31 4.558 7.862 2.030
223 HA GLU 31 HA GLU 31 3.244 9.435 4.068
224 1HB GLU 31 2HB GLU 31 1.111 9.608 2.903
225 2HB GLU 31 1HB GLU 31 2.368 10.437 1.995
226 1HG GLU 31 2HG GLU 31 1.878 7.619 1.276
227 2HG GLU 31 1HG GLU 31 0.597 8.768 0.888
228 H GLU 32 H GLU 32 1.856 8.197 5.349
229 HA GLU 32 HA GLU 32 2.118 5.319 4.960
230 1HB GLU 32 2HB GLU 32 0.738 6.605 7.285
231 2HB GLU 32 1HB GLU 32 1.550 5.047 7.209
232 1HG GLU 32 2HG GLU 32 3.389 5.969 8.014
233 2HG GLU 32 1HG GLU 32 3.467 7.036 6.612
234 H HIS 33 H HIS 33 0.344 3.911 5.340
235 HA HIS 33 HA HIS 33 -2.326 4.906 5.246
236 1HB HIS 33 2HB HIS 33 -2.894 3.698 3.087
237 2HB HIS 33 1HB HIS 33 -2.039 5.227 2.948
238 HD1 HIS 33 1HD HIS 33 -1.679 1.577 2.318
239 HD2 HIS 33 2HD HIS 33 0.562 5.050 1.918
240 HE1 HIS 33 1HE HIS 33 0.239 0.970 0.809
241 HE2 HIS 33 2HE HIS 33 1.485 3.126 0.459
242 H ARG 34 H ARG 34 -3.926 3.126 5.062
243 HA ARG 34 HA ARG 34 -2.980 0.864 6.653
244 1HB ARG 34 2HB ARG 34 -5.594 2.210 6.245
245 2HB ARG 34 1HB ARG 34 -5.619 0.501 6.649
246 1HG ARG 34 2HG ARG 34 -5.782 1.533 8.711
247 2HG ARG 34 1HG ARG 34 -4.064 1.158 8.590
248 1HD ARG 34 2HD ARG 34 -5.154 3.810 7.718
249 2HD ARG 34 1HD ARG 34 -4.744 3.497 9.403
250 HE ARG 34 HE ARG 34 -2.499 2.761 8.136
251 1HH1 ARG 34 1HH1 ARG 34 -4.470 5.634 7.897
252 2HH1 ARG 34 2HH1 ARG 34 -3.144 6.658 7.462
253 1HH2 ARG 34 1HH2 ARG 34 -0.755 4.111 7.566
254 2HH2 ARG 34 2HH2 ARG 34 -1.037 5.793 7.274
255 H ASN 35 H ASN 35 -5.362 1.282 4.011
256 HA ASN 35 HA ASN 35 -5.182 -1.500 3.316
257 1HB ASN 35 2HB ASN 35 -6.731 0.844 2.268
258 2HB ASN 35 1HB ASN 35 -6.644 -0.640 1.322
259 1HD2 ASN 35 1HD2 ASN 35 -7.357 -2.628 2.381
260 2HD2 ASN 35 2HD2 ASN 35 -8.626 -2.542 3.549
261 H MET 36 H MET 36 -2.781 -1.156 3.057
262 HA MET 36 HA MET 36 -1.548 0.150 0.991
263 1HB MET 36 2HB MET 36 -0.326 -0.995 2.727
264 2HB MET 36 1HB MET 36 -0.941 -2.549 2.191
265 1HG MET 36 2HG MET 36 0.302 -1.415 -0.047
266 2HG MET 36 1HG MET 36 1.376 -1.097 1.313
267 1HE MET 36 1HE MET 36 -0.899 -4.586 0.778
268 2HE MET 36 2HE MET 36 0.177 -5.067 -0.534
269 3HE MET 36 3HE MET 36 -0.678 -3.528 -0.615
270 H CYS 37 H CYS 37 -3.569 -2.675 0.846
271 HA CYS 37 HA CYS 37 -2.776 -3.752 -1.603
272 1HB CYS 37 2HB CYS 37 -5.285 -3.794 -0.001
273 2HB CYS 37 1HB CYS 37 -5.378 -4.323 -1.677
274 H ALA 38 H ALA 38 -5.563 -1.625 -1.033
275 HA ALA 38 HA ALA 38 -6.170 -1.041 -3.671
276 1HB ALA 38 1HB ALA 38 -7.761 -0.349 -2.122
277 2HB ALA 38 2HB ALA 38 -7.057 1.169 -2.677
278 3HB ALA 38 3HB ALA 38 -6.569 0.486 -1.127
279 H LEU 39 H LEU 39 -3.620 0.189 -1.664
280 HA LEU 39 HA LEU 39 -2.996 2.418 -3.355
281 1HB LEU 39 2HB LEU 39 -2.189 1.424 -0.838
282 2HB LEU 39 1HB LEU 39 -0.746 1.587 -1.815
283 HG LEU 39 HG LEU 39 -2.214 3.954 -2.224
284 1HD1 LEU 39 1HD1 LEU 39 -1.966 4.550 0.402
285 2HD1 LEU 39 2HD1 LEU 39 -2.551 2.889 0.486
286 3HD1 LEU 39 3HD1 LEU 39 -3.480 4.106 -0.385
287 1HD2 LEU 39 1HD2 LEU 39 -0.026 4.408 -2.255
288 2HD2 LEU 39 2HD2 LEU 39 0.364 3.097 -1.147
289 3HD2 LEU 39 3HD2 LEU 39 -0.204 4.643 -0.520
290 H CYS 40 H CYS 40 -1.791 -0.868 -2.982
291 HA CYS 40 HA CYS 40 0.401 -0.601 -4.731
292 1HB CYS 40 2HB CYS 40 -1.218 -3.004 -3.892
293 2HB CYS 40 1HB CYS 40 0.200 -3.121 -4.928
294 H CYS 41 H CYS 41 -2.999 -1.148 -5.204
295 HA CYS 41 HA CYS 41 -2.651 -1.763 -8.022
296 1HB CYS 41 2HB CYS 41 -4.739 -2.626 -7.943
297 2HB CYS 41 1HB CYS 41 -4.377 -2.695 -6.232
298 H GLU 42 H GLU 42 -3.908 0.833 -6.013
299 HA GLU 42 HA GLU 42 -4.735 2.366 -8.346
300 1HB GLU 42 2HB GLU 42 -4.901 2.974 -5.400
301 2HB GLU 42 1HB GLU 42 -5.501 4.040 -6.661
302 1HG GLU 42 2HG GLU 42 -6.845 1.942 -7.413
303 2HG GLU 42 1HG GLU 42 -6.542 1.396 -5.764
304 H HIS 43 H HIS 43 -2.093 2.444 -6.040
305 HA HIS 43 HA HIS 43 -1.239 5.089 -6.803
306 1HB HIS 43 2HB HIS 43 -0.502 3.126 -4.793
307 2HB HIS 43 1HB HIS 43 0.894 3.917 -5.498
308 HD1 HIS 43 1HD HIS 43 -2.467 4.938 -4.032
309 HD2 HIS 43 2HD HIS 43 1.453 6.281 -4.287
310 HE1 HIS 43 1HE HIS 43 -2.391 7.052 -2.673
311 HE2 HIS 43 2HE HIS 43 0.005 7.816 -2.794
312 HA PRO 44 HA PRO 44 1.707 4.610 -9.976
313 1HB PRO 44 2HB PRO 44 4.037 4.809 -8.141
314 2HB PRO 44 1HB PRO 44 3.639 5.773 -9.564
315 1HG PRO 44 2HG PRO 44 3.312 6.778 -7.122
316 2HG PRO 44 1HG PRO 44 2.130 7.108 -8.405
317 1HD PRO 44 2HD PRO 44 1.955 5.199 -6.103
318 2HD PRO 44 1HD PRO 44 0.692 6.230 -6.805
319 H GLY 45 H GLY 45 1.113 2.355 -10.226
320 1HA GLY 45 2HA GLY 45 1.526 0.084 -10.320
321 2HA GLY 45 1HA GLY 45 3.142 0.630 -10.742
322 H GLY 46 H GLY 46 1.441 0.893 -7.640
323 1HA GLY 46 2HA GLY 46 1.968 0.081 -5.560
324 2HA GLY 46 1HA GLY 46 2.715 -1.282 -6.382
325 H PHE 47 H PHE 47 3.644 2.060 -6.810
326 HA PHE 47 HA PHE 47 6.204 2.136 -6.921
327 1HB PHE 47 2HB PHE 47 6.319 4.171 -5.468
328 2HB PHE 47 1HB PHE 47 5.051 4.196 -6.679
329 HD1 PHE 47 1HD PHE 47 5.552 5.626 -3.863
330 HD2 PHE 47 2HD PHE 47 2.945 2.571 -5.265
331 HE1 PHE 47 1HE PHE 47 3.931 6.198 -2.109
332 HE2 PHE 47 2HE PHE 47 1.330 3.141 -3.517
333 HZ PHE 47 HZ PHE 47 1.818 4.964 -1.949
334 H GLU 48 H GLU 48 6.005 3.076 -3.588
335 HA GLU 48 HA GLU 48 7.271 0.547 -2.790
336 1HB GLU 48 2HB GLU 48 9.112 1.975 -3.446
337 2HB GLU 48 1HB GLU 48 8.509 3.278 -2.433
338 1HG GLU 48 2HG GLU 48 9.067 2.147 -0.455
339 2HG GLU 48 1HG GLU 48 9.295 0.617 -1.301
340 H TYR 49 H TYR 49 7.501 0.251 -0.541
341 HA TYR 49 HA TYR 49 6.236 1.997 1.356
342 1HB TYR 49 2HB TYR 49 4.513 0.587 2.081
343 2HB TYR 49 1HB TYR 49 4.280 0.789 0.371
344 HD1 TYR 49 1HD TYR 49 3.790 -1.457 2.767
345 HD2 TYR 49 2HD TYR 49 5.966 -1.161 -0.872
346 HE1 TYR 49 1HE TYR 49 3.713 -3.884 2.538
347 HE2 TYR 49 2HE TYR 49 5.901 -3.605 -1.106
348 HH TYR 49 HH TYR 49 5.268 -5.651 1.317
349 H SER 50 H SER 50 6.117 0.901 3.476
350 HA SER 50 HA SER 50 8.178 -1.127 3.846
351 1HB SER 50 2HB SER 50 8.440 1.075 5.762
352 2HB SER 50 1HB SER 50 9.685 0.170 4.905
353 HG SER 50 HG SER 50 9.011 2.603 4.427
354 H ASN 51 H ASN 51 6.580 -2.501 4.538
355 HA ASN 51 HA ASN 51 4.485 -1.959 6.220
356 1HB ASN 51 2HB ASN 51 6.111 -4.475 6.016
357 2HB ASN 51 1HB ASN 51 4.646 -4.344 6.972
358 1HD2 ASN 51 1HD2 ASN 51 2.873 -3.111 5.564
359 2HD2 ASN 51 2HD2 ASN 51 2.580 -3.869 4.041
360 H GLY 52 H GLY 52 4.230 -1.503 8.211
361 1HA GLY 52 2HA GLY 52 4.765 -1.836 10.573
362 2HA GLY 52 1HA GLY 52 6.460 -1.870 10.114
363 HA PRO 53 HA PRO 53 5.191 2.480 11.365
364 1HB PRO 53 2HB PRO 53 6.423 2.682 13.741
365 2HB PRO 53 1HB PRO 53 4.819 1.955 13.583
366 1HG PRO 53 2HG PRO 53 7.485 0.623 13.845
367 2HG PRO 53 1HG PRO 53 5.946 0.208 14.620
368 1HD PRO 53 2HD PRO 53 6.939 -1.068 12.403
369 2HD PRO 53 1HD PRO 53 5.213 -0.973 12.802
370 H CYS 54 H CYS 54 6.412 3.837 10.210
371 HA CYS 54 HA CYS 54 9.190 4.218 10.899
372 1HB CYS 54 2HB CYS 54 9.318 4.175 8.098
373 2HB CYS 54 1HB CYS 54 10.071 3.049 9.216
374 H GLU 55 H GLU 55 6.382 5.168 9.006
375 HA GLU 55 HA GLU 55 7.519 7.806 8.519
376 1HB GLU 55 2HB GLU 55 5.410 6.169 7.305
377 2HB GLU 55 1HB GLU 55 4.943 7.851 7.527
378 1HG GLU 55 2HG GLU 55 5.914 7.427 5.320
379 2HG GLU 55 1HG GLU 55 6.842 8.601 6.253
Start of MODEL 17
1 1H ALA 1 1H ALA 1 11.883 -0.070 -2.831
2 2H ALA 1 2H ALA 1 10.814 1.043 -2.084
3 3H ALA 1 3H ALA 1 10.351 0.243 -3.531
4 HA ALA 1 HA ALA 1 10.987 -1.775 -1.877
5 1HB ALA 1 1HB ALA 1 10.885 0.215 -0.140
6 2HB ALA 1 2HB ALA 1 10.266 -1.389 0.250
7 3HB ALA 1 3HB ALA 1 9.154 -0.110 -0.238
8 H HIS 2 H HIS 2 9.851 -1.860 -4.140
9 HA HIS 2 HA HIS 2 6.948 -1.921 -3.874
10 1HB HIS 2 2HB HIS 2 7.678 -2.776 -6.449
11 2HB HIS 2 1HB HIS 2 7.037 -1.204 -5.997
12 HD1 HIS 2 1HD HIS 2 10.481 -2.844 -6.010
13 HD2 HIS 2 2HD HIS 2 8.642 0.775 -6.893
14 HE1 HIS 2 1HE HIS 2 12.315 -1.338 -6.836
15 HE2 HIS 2 2HE HIS 2 11.189 0.862 -7.315
16 H MET 3 H MET 3 6.642 -3.753 -2.608
17 HA MET 3 HA MET 3 7.315 -6.281 -3.974
18 1HB MET 3 2HB MET 3 7.620 -5.966 -0.995
19 2HB MET 3 1HB MET 3 8.168 -7.296 -2.008
20 1HG MET 3 2HG MET 3 9.577 -5.401 -3.161
21 2HG MET 3 1HG MET 3 9.349 -4.600 -1.607
22 1HE MET 3 1HE MET 3 12.132 -7.795 -2.855
23 2HE MET 3 2HE MET 3 12.572 -6.088 -2.836
24 3HE MET 3 3HE MET 3 11.161 -6.625 -3.748
25 H ASP 4 H ASP 4 6.371 -7.559 -1.311
26 HA ASP 4 HA ASP 4 4.140 -8.790 -1.867
27 1HB ASP 4 2HB ASP 4 5.443 -8.092 0.533
28 2HB ASP 4 1HB ASP 4 3.727 -7.818 0.809
29 H CYS 5 H CYS 5 2.873 -7.455 -3.342
30 HA CYS 5 HA CYS 5 0.605 -6.340 -2.001
31 1HB CYS 5 2HB CYS 5 0.716 -4.107 -2.820
32 2HB CYS 5 1HB CYS 5 2.237 -4.441 -2.009
33 H THR 6 H THR 6 -0.497 -4.888 -4.168
34 HA THR 6 HA THR 6 -1.959 -6.539 -5.601
35 HB THR 6 HB THR 6 -1.958 -4.058 -5.791
36 HG1 THR 6 1HG THR 6 -1.977 -5.559 -8.194
37 1HG2 THR 6 1HG2 THR 6 0.352 -4.553 -7.644
38 2HG2 THR 6 2HG2 THR 6 0.287 -3.485 -6.243
39 3HG2 THR 6 3HG2 THR 6 -0.637 -3.098 -7.693
40 H GLU 7 H GLU 7 1.447 -5.763 -6.423
41 HA GLU 7 HA GLU 7 1.392 -7.553 -8.702
42 1HB GLU 7 2HB GLU 7 3.626 -6.791 -9.109
43 2HB GLU 7 1HB GLU 7 2.656 -5.391 -8.673
44 1HG GLU 7 2HG GLU 7 3.960 -4.917 -6.948
45 2HG GLU 7 1HG GLU 7 3.893 -6.574 -6.348
46 H PHE 8 H PHE 8 0.703 -8.997 -6.553
47 HA PHE 8 HA PHE 8 2.828 -10.916 -6.370
48 1HB PHE 8 2HB PHE 8 2.810 -8.930 -4.459
49 2HB PHE 8 1HB PHE 8 1.936 -10.232 -3.664
50 HD1 PHE 8 1HD PHE 8 3.402 -11.124 -2.106
51 HD2 PHE 8 2HD PHE 8 4.782 -10.346 -6.055
52 HE1 PHE 8 1HE PHE 8 5.543 -12.209 -1.569
53 HE2 PHE 8 2HE PHE 8 6.925 -11.430 -5.526
54 HZ PHE 8 HZ PHE 8 7.309 -12.365 -3.279
55 H ASN 9 H ASN 9 1.636 -12.112 -3.910
56 HA ASN 9 HA ASN 9 -0.465 -13.547 -5.239
57 1HB ASN 9 2HB ASN 9 0.068 -13.963 -2.339
58 2HB ASN 9 1HB ASN 9 -0.260 -15.139 -3.603
59 1HD2 ASN 9 1HD2 ASN 9 1.582 -14.793 -5.442
60 2HD2 ASN 9 2HD2 ASN 9 3.177 -14.984 -4.805
61 HA PRO 10 HA PRO 10 -3.299 -11.556 -2.025
62 1HB PRO 10 2HB PRO 10 -2.405 -10.191 0.057
63 2HB PRO 10 1HB PRO 10 -2.195 -11.947 -0.003
64 1HG PRO 10 2HG PRO 10 -0.215 -9.780 -0.555
65 2HG PRO 10 1HG PRO 10 0.013 -11.314 0.302
66 1HD PRO 10 2HD PRO 10 0.654 -10.826 -2.378
67 2HD PRO 10 1HD PRO 10 0.489 -12.423 -1.629
68 H LEU 11 H LEU 11 -3.136 -10.278 -4.203
69 HA LEU 11 HA LEU 11 -2.402 -7.507 -4.001
70 1HB LEU 11 2HB LEU 11 -3.400 -7.323 -6.240
71 2HB LEU 11 1HB LEU 11 -2.269 -8.660 -6.144
72 HG LEU 11 HG LEU 11 -4.376 -10.108 -5.714
73 1HD1 LEU 11 1HD1 LEU 11 -5.526 -7.503 -6.593
74 2HD1 LEU 11 2HD1 LEU 11 -6.123 -8.654 -5.397
75 3HD1 LEU 11 3HD1 LEU 11 -6.289 -9.005 -7.118
76 1HD2 LEU 11 1HD2 LEU 11 -3.055 -10.347 -7.696
77 2HD2 LEU 11 2HD2 LEU 11 -3.722 -8.864 -8.378
78 3HD2 LEU 11 3HD2 LEU 11 -4.753 -10.280 -8.171
79 H CYS 12 H CYS 12 -4.139 -5.852 -4.783
80 HA CYS 12 HA CYS 12 -5.771 -4.903 -3.062
81 1HB CYS 12 2HB CYS 12 -5.721 -4.695 -5.717
82 2HB CYS 12 1HB CYS 12 -7.256 -5.512 -5.554
83 H ARG 13 H ARG 13 -5.871 -7.077 -1.816
84 HA ARG 13 HA ARG 13 -8.445 -8.421 -2.305
85 1HB ARG 13 2HB ARG 13 -7.641 -10.220 -0.921
86 2HB ARG 13 1HB ARG 13 -6.379 -9.831 -2.080
87 1HG ARG 13 2HG ARG 13 -4.927 -9.429 -0.462
88 2HG ARG 13 1HG ARG 13 -6.032 -8.307 0.330
89 1HD ARG 13 2HD ARG 13 -6.000 -9.836 1.983
90 2HD ARG 13 1HD ARG 13 -7.186 -10.659 0.972
91 HE ARG 13 HE ARG 13 -4.425 -11.338 0.437
92 1HH1 ARG 13 1HH1 ARG 13 -7.321 -12.136 2.222
93 2HH1 ARG 13 2HH1 ARG 13 -6.855 -13.784 2.477
94 1HH2 ARG 13 1HH2 ARG 13 -3.814 -13.503 0.779
95 2HH2 ARG 13 2HH2 ARG 13 -4.866 -14.560 1.661
96 H CYS 14 H CYS 14 -7.916 -5.740 -1.124
97 HA CYS 14 HA CYS 14 -9.841 -5.822 0.947
98 1HB CYS 14 2HB CYS 14 -7.962 -4.714 2.536
99 2HB CYS 14 1HB CYS 14 -8.393 -6.417 2.589
100 H ASN 15 H ASN 15 -10.926 -4.073 0.248
101 HA ASN 15 HA ASN 15 -9.593 -1.874 -0.968
102 1HB ASN 15 2HB ASN 15 -11.584 -1.544 -1.864
103 2HB ASN 15 1HB ASN 15 -12.204 -2.895 -0.957
104 1HD2 ASN 15 1HD2 ASN 15 -13.775 -2.520 0.437
105 2HD2 ASN 15 2HD2 ASN 15 -14.345 -0.958 0.906
106 H LYS 16 H LYS 16 -12.025 -1.097 1.352
107 HA LYS 16 HA LYS 16 -10.118 0.658 2.690
108 1HB LYS 16 2HB LYS 16 -12.361 1.504 1.837
109 2HB LYS 16 1HB LYS 16 -13.102 0.571 3.132
110 1HG LYS 16 2HG LYS 16 -11.333 1.920 4.586
111 2HG LYS 16 1HG LYS 16 -11.510 3.064 3.255
112 1HD LYS 16 2HD LYS 16 -13.918 3.117 3.596
113 2HD LYS 16 1HD LYS 16 -13.778 1.916 4.881
114 1HE LYS 16 2HE LYS 16 -13.807 3.786 6.171
115 2HE LYS 16 1HE LYS 16 -12.077 3.723 5.840
116 1HZ LYS 16 1HZ LYS 16 -12.183 5.494 4.444
117 2HZ LYS 16 2HZ LYS 16 -13.474 5.900 5.458
118 3HZ LYS 16 3HZ LYS 16 -13.773 5.183 3.956
119 H MET 17 H MET 17 -10.568 -2.360 2.999
120 HA MET 17 HA MET 17 -11.645 -2.988 5.476
121 1HB MET 17 2HB MET 17 -10.559 -4.466 3.597
122 2HB MET 17 1HB MET 17 -9.109 -4.298 4.578
123 1HG MET 17 2HG MET 17 -9.807 -5.864 5.973
124 2HG MET 17 1HG MET 17 -11.322 -5.006 6.249
125 1HE MET 17 1HE MET 17 -13.173 -5.796 6.085
126 2HE MET 17 2HE MET 17 -13.515 -7.482 5.692
127 3HE MET 17 3HE MET 17 -13.884 -6.211 4.525
128 H LEU 18 H LEU 18 -10.133 -3.851 7.338
129 HA LEU 18 HA LEU 18 -8.962 -1.537 8.493
130 1HB LEU 18 2HB LEU 18 -8.595 -2.832 10.430
131 2HB LEU 18 1HB LEU 18 -10.105 -3.393 9.744
132 HG LEU 18 HG LEU 18 -7.462 -4.806 9.877
133 1HD1 LEU 18 1HD1 LEU 18 -10.053 -6.137 10.332
134 2HD1 LEU 18 2HD1 LEU 18 -9.586 -4.899 11.500
135 3HD1 LEU 18 3HD1 LEU 18 -8.528 -6.280 11.206
136 1HD2 LEU 18 1HD2 LEU 18 -8.234 -6.485 8.339
137 2HD2 LEU 18 2HD2 LEU 18 -8.259 -4.922 7.526
138 3HD2 LEU 18 3HD2 LEU 18 -9.762 -5.636 8.112
139 H GLY 19 H GLY 19 -7.478 -1.167 6.648
140 1HA GLY 19 2HA GLY 19 -5.254 -2.835 6.159
141 2HA GLY 19 1HA GLY 19 -5.374 -1.134 5.741
142 H ASP 20 H ASP 20 -3.048 -2.535 6.683
143 HA ASP 20 HA ASP 20 -2.630 -1.787 9.429
144 1HB ASP 20 2HB ASP 20 -0.564 -2.684 7.427
145 2HB ASP 20 1HB ASP 20 -0.476 -2.770 9.175
146 H LEU 21 H LEU 21 -0.323 -0.748 9.747
147 HA LEU 21 HA LEU 21 -0.519 1.892 8.540
148 1HB LEU 21 2HB LEU 21 0.742 2.723 10.325
149 2HB LEU 21 1HB LEU 21 -0.311 1.522 11.040
150 HG LEU 21 HG LEU 21 2.656 1.349 10.568
151 1HD1 LEU 21 1HD1 LEU 21 0.854 1.247 12.965
152 2HD1 LEU 21 2HD1 LEU 21 2.160 2.380 12.615
153 3HD1 LEU 21 3HD1 LEU 21 2.531 0.702 13.014
154 1HD2 LEU 21 1HD2 LEU 21 1.667 -0.767 9.823
155 2HD2 LEU 21 2HD2 LEU 21 0.811 -0.904 11.357
156 3HD2 LEU 21 3HD2 LEU 21 2.572 -0.967 11.323
157 H ILE 22 H ILE 22 0.220 1.290 6.480
158 HA ILE 22 HA ILE 22 2.909 0.280 6.146
159 HB ILE 22 HB ILE 22 1.515 -0.541 4.483
160 1HG1 ILE 22 2HG1 ILE 22 3.602 0.867 3.637
161 2HG1 ILE 22 1HG1 ILE 22 2.495 0.084 2.518
162 1HG2 ILE 22 1HG2 ILE 22 0.062 1.061 3.102
163 2HG2 ILE 22 2HG2 ILE 22 0.315 2.188 4.433
164 3HG2 ILE 22 3HG2 ILE 22 -0.465 0.633 4.732
165 1HD1 ILE 22 1HD1 ILE 22 2.309 2.974 3.347
166 2HD1 ILE 22 2HD1 ILE 22 1.351 2.156 2.113
167 3HD1 ILE 22 3HD1 ILE 22 3.081 2.391 1.874
168 H CYS 23 H CYS 23 4.616 1.368 5.131
169 HA CYS 23 HA CYS 23 4.439 4.312 5.324
170 1HB CYS 23 2HB CYS 23 6.094 3.106 6.821
171 2HB CYS 23 1HB CYS 23 6.962 2.651 5.361
172 H ALA 24 H ALA 24 3.572 4.517 3.219
173 HA ALA 24 HA ALA 24 4.922 3.399 0.964
174 1HB ALA 24 1HB ALA 24 3.277 5.191 -0.154
175 2HB ALA 24 2HB ALA 24 2.511 5.022 1.425
176 3HB ALA 24 3HB ALA 24 2.749 3.603 0.405
177 H VAL 25 H VAL 25 5.754 4.590 -0.792
178 HA VAL 25 HA VAL 25 6.605 7.323 -0.418
179 HB VAL 25 HB VAL 25 8.712 5.197 -0.796
180 1HG1 VAL 25 1HG1 VAL 25 8.784 7.835 -1.481
181 2HG1 VAL 25 2HG1 VAL 25 10.196 6.846 -1.109
182 3HG1 VAL 25 3HG1 VAL 25 9.475 7.861 0.141
183 1HG2 VAL 25 1HG2 VAL 25 7.909 6.687 1.693
184 2HG2 VAL 25 2HG2 VAL 25 9.440 5.831 1.515
185 3HG2 VAL 25 3HG2 VAL 25 7.919 4.942 1.437
186 H ILE 26 H ILE 26 7.054 8.336 -2.322
187 HA ILE 26 HA ILE 26 7.013 6.698 -4.769
188 HB ILE 26 HB ILE 26 5.835 9.138 -5.462
189 1HG1 ILE 26 2HG1 ILE 26 5.356 9.396 -2.998
190 2HG1 ILE 26 1HG1 ILE 26 3.933 9.409 -4.033
191 1HG2 ILE 26 1HG2 ILE 26 4.896 6.319 -5.220
192 2HG2 ILE 26 2HG2 ILE 26 5.215 7.275 -6.667
193 3HG2 ILE 26 3HG2 ILE 26 3.772 7.588 -5.701
194 1HD1 ILE 26 1HD1 ILE 26 4.407 7.813 -1.789
195 2HD1 ILE 26 2HD1 ILE 26 4.499 6.732 -3.180
196 3HD1 ILE 26 3HD1 ILE 26 3.057 7.712 -2.918
197 H GLY 27 H GLY 27 9.241 6.958 -4.929
198 1HA GLY 27 2HA GLY 27 11.116 7.895 -5.875
199 2HA GLY 27 1HA GLY 27 10.101 9.232 -6.400
200 H ASP 28 H ASP 28 9.267 10.481 -4.319
201 HA ASP 28 HA ASP 28 11.288 10.805 -2.288
202 1HB ASP 28 2HB ASP 28 10.745 12.962 -4.334
203 2HB ASP 28 1HB ASP 28 11.533 13.269 -2.790
204 H ALA 29 H ALA 29 8.369 10.189 -2.638
205 HA ALA 29 HA ALA 29 7.351 12.279 -0.819
206 1HB ALA 29 1HB ALA 29 5.953 12.765 -2.522
207 2HB ALA 29 2HB ALA 29 5.070 11.358 -1.931
208 3HB ALA 29 3HB ALA 29 6.177 11.196 -3.295
209 H LYS 30 H LYS 30 8.005 10.967 0.944
210 HA LYS 30 HA LYS 30 6.804 8.339 1.210
211 1HB LYS 30 2HB LYS 30 8.036 8.323 3.406
212 2HB LYS 30 1HB LYS 30 9.052 8.486 1.981
213 1HG LYS 30 2HG LYS 30 9.334 10.833 2.376
214 2HG LYS 30 1HG LYS 30 8.164 10.795 3.695
215 1HD LYS 30 2HD LYS 30 10.340 10.804 4.670
216 2HD LYS 30 1HD LYS 30 9.679 9.180 4.872
217 1HE LYS 30 2HE LYS 30 11.720 8.591 4.087
218 2HE LYS 30 1HE LYS 30 10.925 8.839 2.534
219 1HZ LYS 30 1HZ LYS 30 12.984 10.424 3.837
220 2HZ LYS 30 2HZ LYS 30 11.786 11.297 3.022
221 3HZ LYS 30 3HZ LYS 30 12.707 10.148 2.191
222 H GLU 31 H GLU 31 5.060 7.856 2.369
223 HA GLU 31 HA GLU 31 4.113 9.493 4.528
224 1HB GLU 31 2HB GLU 31 3.011 9.814 1.842
225 2HB GLU 31 1HB GLU 31 1.784 9.389 3.028
226 1HG GLU 31 2HG GLU 31 3.137 11.319 4.358
227 2HG GLU 31 1HG GLU 31 3.314 11.867 2.692
228 H GLU 32 H GLU 32 2.447 8.459 5.745
229 HA GLU 32 HA GLU 32 2.580 5.619 5.661
230 1HB GLU 32 2HB GLU 32 1.174 7.631 7.338
231 2HB GLU 32 1HB GLU 32 0.534 5.993 7.334
232 1HG GLU 32 2HG GLU 32 3.429 6.127 7.687
233 2HG GLU 32 1HG GLU 32 2.510 6.918 8.966
234 H HIS 33 H HIS 33 0.502 4.310 5.819
235 HA HIS 33 HA HIS 33 -1.736 5.245 4.301
236 1HB HIS 33 2HB HIS 33 0.396 3.718 2.986
237 2HB HIS 33 1HB HIS 33 -1.213 3.033 2.764
238 HD1 HIS 33 1HD HIS 33 0.769 4.780 0.735
239 HD2 HIS 33 2HD HIS 33 -2.873 5.811 2.413
240 HE1 HIS 33 1HE HIS 33 -0.157 6.587 -0.746
241 HE2 HIS 33 2HE HIS 33 -2.318 7.274 0.353
242 H ARG 34 H ARG 34 -3.504 3.826 4.343
243 HA ARG 34 HA ARG 34 -3.348 1.866 6.509
244 1HB ARG 34 2HB ARG 34 -5.704 3.199 5.181
245 2HB ARG 34 1HB ARG 34 -5.844 1.975 6.435
246 1HG ARG 34 2HG ARG 34 -4.555 4.682 6.716
247 2HG ARG 34 1HG ARG 34 -6.110 4.180 7.382
248 1HD ARG 34 2HD ARG 34 -3.413 3.034 8.096
249 2HD ARG 34 1HD ARG 34 -4.371 4.131 9.088
250 HE ARG 34 HE ARG 34 -4.748 1.300 8.773
251 1HH1 ARG 34 1HH1 ARG 34 -6.302 4.316 9.586
252 2HH1 ARG 34 2HH1 ARG 34 -7.547 3.565 10.527
253 1HH2 ARG 34 1HH2 ARG 34 -6.386 0.310 10.009
254 2HH2 ARG 34 2HH2 ARG 34 -7.595 1.291 10.768
255 H ASN 35 H ASN 35 -5.231 2.086 3.487
256 HA ASN 35 HA ASN 35 -5.353 -0.783 3.273
257 1HB ASN 35 2HB ASN 35 -6.177 1.226 1.173
258 2HB ASN 35 1HB ASN 35 -6.760 -0.423 1.377
259 1HD2 ASN 35 1HD2 ASN 35 -7.672 -0.789 3.686
260 2HD2 ASN 35 2HD2 ASN 35 -8.791 0.414 4.221
261 H MET 36 H MET 36 -2.937 -0.814 3.317
262 HA MET 36 HA MET 36 -1.262 0.013 1.305
263 1HB MET 36 2HB MET 36 -0.032 -0.909 2.962
264 2HB MET 36 1HB MET 36 -1.276 -2.074 3.372
265 1HG MET 36 2HG MET 36 0.324 -3.499 2.661
266 2HG MET 36 1HG MET 36 -0.439 -3.189 1.107
267 1HE MET 36 1HE MET 36 3.426 -1.612 2.809
268 2HE MET 36 2HE MET 36 3.326 -3.344 2.499
269 3HE MET 36 3HE MET 36 2.153 -2.571 3.565
270 H CYS 37 H CYS 37 -3.322 -2.837 1.399
271 HA CYS 37 HA CYS 37 -2.353 -3.961 -1.024
272 1HB CYS 37 2HB CYS 37 -4.604 -5.222 -0.932
273 2HB CYS 37 1HB CYS 37 -3.451 -5.497 0.370
274 H ALA 38 H ALA 38 -5.248 -2.063 -0.261
275 HA ALA 38 HA ALA 38 -6.111 -1.906 -2.959
276 1HB ALA 38 1HB ALA 38 -7.668 -1.587 -1.100
277 2HB ALA 38 2HB ALA 38 -7.669 -0.188 -2.171
278 3HB ALA 38 3HB ALA 38 -6.815 -0.119 -0.630
279 H LEU 39 H LEU 39 -3.547 -0.507 -1.341
280 HA LEU 39 HA LEU 39 -3.468 1.964 -2.842
281 1HB LEU 39 2HB LEU 39 -2.539 1.266 -0.430
282 2HB LEU 39 1HB LEU 39 -1.110 0.948 -1.372
283 HG LEU 39 HG LEU 39 -2.186 3.485 -0.454
284 1HD1 LEU 39 1HD1 LEU 39 0.207 4.121 -1.207
285 2HD1 LEU 39 2HD1 LEU 39 0.410 2.385 -1.442
286 3HD1 LEU 39 3HD1 LEU 39 -0.005 3.016 0.151
287 1HD2 LEU 39 1HD2 LEU 39 -1.589 3.159 -3.383
288 2HD2 LEU 39 2HD2 LEU 39 -1.429 4.705 -2.549
289 3HD2 LEU 39 3HD2 LEU 39 -2.998 3.903 -2.628
290 H CYS 40 H CYS 40 -1.526 -0.992 -2.623
291 HA CYS 40 HA CYS 40 0.153 -0.214 -4.766
292 1HB CYS 40 2HB CYS 40 0.263 -2.218 -2.935
293 2HB CYS 40 1HB CYS 40 -0.228 -3.105 -4.374
294 H CYS 41 H CYS 41 -2.924 -1.886 -4.529
295 HA CYS 41 HA CYS 41 -2.942 -2.770 -7.233
296 1HB CYS 41 2HB CYS 41 -4.990 -3.609 -6.780
297 2HB CYS 41 1HB CYS 41 -4.380 -3.429 -5.145
298 H GLU 42 H GLU 42 -4.052 0.122 -5.580
299 HA GLU 42 HA GLU 42 -4.897 1.282 -8.158
300 1HB GLU 42 2HB GLU 42 -5.662 1.851 -5.321
301 2HB GLU 42 1HB GLU 42 -5.853 3.101 -6.542
302 1HG GLU 42 2HG GLU 42 -7.127 0.376 -6.529
303 2HG GLU 42 1HG GLU 42 -7.925 1.927 -6.273
304 H HIS 43 H HIS 43 -2.108 1.086 -6.931
305 HA HIS 43 HA HIS 43 -1.291 3.791 -6.411
306 1HB HIS 43 2HB HIS 43 0.967 2.849 -6.339
307 2HB HIS 43 1HB HIS 43 -0.140 1.859 -5.408
308 HD1 HIS 43 1HD HIS 43 -0.717 1.101 -8.867
309 HD2 HIS 43 2HD HIS 43 2.109 0.000 -6.029
310 HE1 HIS 43 1HE HIS 43 0.353 -0.987 -9.765
311 HE2 HIS 43 2HE HIS 43 2.128 -1.580 -8.080
312 HA PRO 44 HA PRO 44 -0.116 5.332 -10.357
313 1HB PRO 44 2HB PRO 44 2.735 5.536 -9.605
314 2HB PRO 44 1HB PRO 44 1.599 6.809 -10.063
315 1HG PRO 44 2HG PRO 44 2.415 6.530 -7.533
316 2HG PRO 44 1HG PRO 44 0.752 7.012 -7.918
317 1HD PRO 44 2HD PRO 44 1.807 4.332 -7.084
318 2HD PRO 44 1HD PRO 44 0.315 5.159 -6.584
319 H GLY 45 H GLY 45 2.848 3.567 -9.424
320 1HA GLY 45 2HA GLY 45 2.401 1.588 -11.491
321 2HA GLY 45 1HA GLY 45 3.720 2.699 -11.820
322 H GLY 46 H GLY 46 2.582 0.963 -8.917
323 1HA GLY 46 2HA GLY 46 3.687 -0.473 -7.493
324 2HA GLY 46 1HA GLY 46 4.809 -0.787 -8.805
325 H PHE 47 H PHE 47 4.018 2.067 -6.829
326 HA PHE 47 HA PHE 47 6.661 3.019 -6.766
327 1HB PHE 47 2HB PHE 47 5.779 4.347 -4.734
328 2HB PHE 47 1HB PHE 47 5.021 4.623 -6.294
329 HD1 PHE 47 1HD PHE 47 4.261 1.550 -4.466
330 HD2 PHE 47 2HD PHE 47 3.067 5.570 -5.206
331 HE1 PHE 47 1HE PHE 47 2.057 1.071 -3.491
332 HE2 PHE 47 2HE PHE 47 0.860 5.094 -4.231
333 HZ PHE 47 HZ PHE 47 0.354 2.844 -3.373
334 H GLU 48 H GLU 48 5.838 3.013 -3.506
335 HA GLU 48 HA GLU 48 6.872 0.393 -2.872
336 1HB GLU 48 2HB GLU 48 8.918 1.112 -1.794
337 2HB GLU 48 1HB GLU 48 8.939 1.585 -3.488
338 1HG GLU 48 2HG GLU 48 7.836 3.684 -1.864
339 2HG GLU 48 1HG GLU 48 9.419 3.194 -1.262
340 H TYR 49 H TYR 49 7.228 0.151 -0.522
341 HA TYR 49 HA TYR 49 5.974 2.002 1.304
342 1HB TYR 49 2HB TYR 49 4.289 0.327 2.021
343 2HB TYR 49 1HB TYR 49 3.963 1.059 0.459
344 HD1 TYR 49 1HD TYR 49 3.385 -0.355 -1.301
345 HD2 TYR 49 2HD TYR 49 5.653 -1.886 1.952
346 HE1 TYR 49 1HE TYR 49 3.231 -2.612 -2.252
347 HE2 TYR 49 2HE TYR 49 5.510 -4.139 1.015
348 HH TYR 49 HH TYR 49 4.686 -5.399 -0.602
349 H SER 50 H SER 50 5.853 1.062 3.467
350 HA SER 50 HA SER 50 7.763 -1.099 3.922
351 1HB SER 50 2HB SER 50 8.111 1.112 5.799
352 2HB SER 50 1HB SER 50 9.320 0.155 4.946
353 HG SER 50 HG SER 50 9.075 2.513 4.428
354 H ASN 51 H ASN 51 6.099 -2.379 4.621
355 HA ASN 51 HA ASN 51 3.992 -1.701 6.240
356 1HB ASN 51 2HB ASN 51 5.447 -4.335 6.424
357 2HB ASN 51 1HB ASN 51 3.766 -4.001 6.833
358 1HD2 ASN 51 1HD2 ASN 51 2.362 -4.619 5.376
359 2HD2 ASN 51 2HD2 ASN 51 2.640 -4.754 3.676
360 H GLY 52 H GLY 52 3.697 -1.192 8.237
361 1HA GLY 52 2HA GLY 52 4.246 -1.680 10.610
362 2HA GLY 52 1HA GLY 52 5.934 -1.551 10.145
363 HA PRO 53 HA PRO 53 4.073 2.503 11.951
364 1HB PRO 53 2HB PRO 53 6.297 2.719 13.653
365 2HB PRO 53 1HB PRO 53 4.665 2.238 14.121
366 1HG PRO 53 2HG PRO 53 7.045 0.548 13.524
367 2HG PRO 53 1HG PRO 53 5.747 0.291 14.705
368 1HD PRO 53 2HD PRO 53 5.840 -1.098 12.419
369 2HD PRO 53 1HD PRO 53 4.292 -0.557 13.105
370 H CYS 54 H CYS 54 4.845 4.526 11.402
371 HA CYS 54 HA CYS 54 7.551 4.932 10.529
372 1HB CYS 54 2HB CYS 54 6.041 3.820 8.616
373 2HB CYS 54 1HB CYS 54 5.600 5.504 8.361
374 H GLU 55 H GLU 55 4.390 6.343 9.690
375 HA GLU 55 HA GLU 55 5.370 8.927 10.684
376 1HB GLU 55 2HB GLU 55 4.273 8.317 8.253
377 2HB GLU 55 1HB GLU 55 2.869 8.900 9.136
378 1HG GLU 55 2HG GLU 55 3.506 10.947 8.585
379 2HG GLU 55 1HG GLU 55 4.843 10.750 9.718
Start of MODEL 18
1 1H ALA 1 1H ALA 1 12.126 -3.896 -3.018
2 2H ALA 1 2H ALA 1 12.825 -3.466 -1.510
3 3H ALA 1 3H ALA 1 12.478 -2.254 -2.675
4 HA ALA 1 HA ALA 1 10.405 -3.980 -1.532
5 1HB ALA 1 1HB ALA 1 10.045 -1.671 -0.213
6 2HB ALA 1 2HB ALA 1 11.806 -1.679 -0.324
7 3HB ALA 1 3HB ALA 1 10.965 -3.028 0.438
8 H HIS 2 H HIS 2 9.886 -3.760 -3.924
9 HA HIS 2 HA HIS 2 8.272 -1.336 -4.286
10 1HB HIS 2 2HB HIS 2 10.512 -2.180 -5.882
11 2HB HIS 2 1HB HIS 2 9.051 -2.211 -6.863
12 HD1 HIS 2 1HD HIS 2 8.366 -0.040 -7.844
13 HD2 HIS 2 2HD HIS 2 10.897 0.452 -4.586
14 HE1 HIS 2 1HE HIS 2 8.831 2.428 -7.721
15 HE2 HIS 2 2HE HIS 2 10.424 2.694 -5.787
16 H MET 3 H MET 3 7.011 -3.296 -3.240
17 HA MET 3 HA MET 3 5.047 -4.052 -5.139
18 1HB MET 3 2HB MET 3 7.155 -6.031 -4.452
19 2HB MET 3 1HB MET 3 5.499 -6.617 -4.510
20 1HG MET 3 2HG MET 3 5.658 -6.797 -6.701
21 2HG MET 3 1HG MET 3 5.881 -5.053 -6.817
22 1HE MET 3 1HE MET 3 7.335 -8.449 -7.524
23 2HE MET 3 2HE MET 3 8.668 -7.869 -8.522
24 3HE MET 3 3HE MET 3 7.021 -7.330 -8.851
25 H ASP 4 H ASP 4 3.220 -3.903 -3.981
26 HA ASP 4 HA ASP 4 2.951 -5.350 -1.499
27 1HB ASP 4 2HB ASP 4 2.401 -3.477 -0.086
28 2HB ASP 4 1HB ASP 4 3.972 -3.168 -0.807
29 H CYS 5 H CYS 5 1.634 -5.946 -3.724
30 HA CYS 5 HA CYS 5 -0.899 -4.566 -3.866
31 1HB CYS 5 2HB CYS 5 0.469 -6.683 -5.415
32 2HB CYS 5 1HB CYS 5 -1.290 -6.732 -5.415
33 H THR 6 H THR 6 -2.950 -5.954 -3.918
34 HA THR 6 HA THR 6 -3.462 -6.885 -1.375
35 HB THR 6 HB THR 6 -5.266 -6.227 -2.836
36 HG1 THR 6 1HG THR 6 -6.599 -7.610 -1.982
37 1HG2 THR 6 1HG2 THR 6 -5.162 -8.762 -4.379
38 2HG2 THR 6 2HG2 THR 6 -4.191 -7.387 -4.906
39 3HG2 THR 6 3HG2 THR 6 -5.942 -7.231 -4.767
40 H GLU 7 H GLU 7 -3.296 -9.064 -4.250
41 HA GLU 7 HA GLU 7 -1.489 -10.837 -3.150
42 1HB GLU 7 2HB GLU 7 -2.583 -12.226 -1.775
43 2HB GLU 7 1HB GLU 7 -3.790 -10.957 -1.677
44 1HG GLU 7 2HG GLU 7 -5.084 -12.031 -3.434
45 2HG GLU 7 1HG GLU 7 -3.866 -13.299 -3.567
46 H PHE 8 H PHE 8 -3.983 -10.089 -5.419
47 HA PHE 8 HA PHE 8 -2.768 -11.923 -7.313
48 1HB PHE 8 2HB PHE 8 -5.261 -12.776 -7.797
49 2HB PHE 8 1HB PHE 8 -4.191 -13.583 -6.666
50 HD1 PHE 8 1HD PHE 8 -5.887 -10.367 -6.025
51 HD2 PHE 8 2HD PHE 8 -5.833 -14.557 -5.281
52 HE1 PHE 8 1HE PHE 8 -7.544 -10.066 -4.231
53 HE2 PHE 8 2HE PHE 8 -7.490 -14.262 -3.487
54 HZ PHE 8 HZ PHE 8 -8.347 -12.015 -2.960
55 H ASN 9 H ASN 9 -5.238 -11.843 -9.026
56 HA ASN 9 HA ASN 9 -4.596 -9.483 -10.442
57 1HB ASN 9 2HB ASN 9 -7.159 -10.949 -10.946
58 2HB ASN 9 1HB ASN 9 -6.042 -10.225 -12.096
59 1HD2 ASN 9 1HD2 ASN 9 -3.667 -11.331 -11.391
60 2HD2 ASN 9 2HD2 ASN 9 -3.713 -13.041 -11.636
61 HA PRO 10 HA PRO 10 -8.948 -7.884 -8.974
62 1HB PRO 10 2HB PRO 10 -9.801 -9.044 -6.610
63 2HB PRO 10 1HB PRO 10 -10.420 -9.451 -8.213
64 1HG PRO 10 2HG PRO 10 -8.421 -10.879 -6.534
65 2HG PRO 10 1HG PRO 10 -9.649 -11.537 -7.625
66 1HD PRO 10 2HD PRO 10 -7.027 -11.417 -8.277
67 2HD PRO 10 1HD PRO 10 -8.321 -11.274 -9.483
68 H LEU 11 H LEU 11 -7.050 -6.507 -8.623
69 HA LEU 11 HA LEU 11 -5.594 -6.252 -6.300
70 1HB LEU 11 2HB LEU 11 -5.249 -3.902 -7.002
71 2HB LEU 11 1HB LEU 11 -4.903 -5.106 -8.216
72 HG LEU 11 HG LEU 11 -6.238 -2.873 -8.770
73 1HD1 LEU 11 1HD1 LEU 11 -5.623 -5.139 -10.097
74 2HD1 LEU 11 2HD1 LEU 11 -6.510 -3.786 -10.797
75 3HD1 LEU 11 3HD1 LEU 11 -7.385 -5.183 -10.170
76 1HD2 LEU 11 1HD2 LEU 11 -8.083 -3.310 -7.231
77 2HD2 LEU 11 2HD2 LEU 11 -8.430 -4.824 -8.066
78 3HD2 LEU 11 3HD2 LEU 11 -8.639 -3.289 -8.905
79 H CYS 12 H CYS 12 -5.859 -3.691 -5.452
80 HA CYS 12 HA CYS 12 -6.839 -3.564 -3.132
81 1HB CYS 12 2HB CYS 12 -7.652 -1.290 -3.340
82 2HB CYS 12 1HB CYS 12 -6.190 -1.528 -4.284
83 H ARG 13 H ARG 13 -8.267 -5.462 -3.321
84 HA ARG 13 HA ARG 13 -11.098 -4.703 -3.621
85 1HB ARG 13 2HB ARG 13 -9.912 -6.914 -4.569
86 2HB ARG 13 1HB ARG 13 -10.296 -7.497 -2.956
87 1HG ARG 13 2HG ARG 13 -12.022 -8.068 -4.600
88 2HG ARG 13 1HG ARG 13 -12.641 -7.040 -3.306
89 1HD ARG 13 2HD ARG 13 -11.612 -5.597 -5.648
90 2HD ARG 13 1HD ARG 13 -13.030 -6.597 -5.960
91 HE ARG 13 HE ARG 13 -13.284 -4.928 -3.634
92 1HH1 ARG 13 1HH1 ARG 13 -13.670 -5.083 -7.098
93 2HH1 ARG 13 2HH1 ARG 13 -14.846 -3.813 -7.150
94 1HH2 ARG 13 1HH2 ARG 13 -14.834 -3.258 -3.700
95 2HH2 ARG 13 2HH2 ARG 13 -15.507 -2.778 -5.221
96 H CYS 14 H CYS 14 -9.558 -3.651 -1.535
97 HA CYS 14 HA CYS 14 -11.005 -4.664 0.772
98 1HB CYS 14 2HB CYS 14 -8.497 -4.228 1.849
99 2HB CYS 14 1HB CYS 14 -9.212 -5.800 1.518
100 H ASN 15 H ASN 15 -11.941 -2.940 1.637
101 HA ASN 15 HA ASN 15 -10.728 -0.298 1.301
102 1HB ASN 15 2HB ASN 15 -13.404 -1.266 1.373
103 2HB ASN 15 1HB ASN 15 -13.197 -0.161 2.720
104 1HD2 ASN 15 1HD2 ASN 15 -11.793 1.833 1.997
105 2HD2 ASN 15 2HD2 ASN 15 -12.374 2.618 0.572
106 H LYS 16 H LYS 16 -12.013 -2.395 3.807
107 HA LYS 16 HA LYS 16 -12.012 -1.325 6.123
108 1HB LYS 16 2HB LYS 16 -11.038 -3.231 7.170
109 2HB LYS 16 1HB LYS 16 -11.844 -3.781 5.709
110 1HG LYS 16 2HG LYS 16 -9.969 -4.691 4.967
111 2HG LYS 16 1HG LYS 16 -9.123 -3.148 5.101
112 1HD LYS 16 2HD LYS 16 -8.334 -3.618 7.226
113 2HD LYS 16 1HD LYS 16 -9.607 -4.797 7.548
114 1HE LYS 16 2HE LYS 16 -8.531 -6.474 6.416
115 2HE LYS 16 1HE LYS 16 -7.677 -5.356 5.354
116 1HZ LYS 16 1HZ LYS 16 -6.027 -6.138 6.749
117 2HZ LYS 16 2HZ LYS 16 -7.019 -6.145 8.117
118 3HZ LYS 16 3HZ LYS 16 -6.453 -4.679 7.492
119 H MET 17 H MET 17 -10.760 0.680 5.247
120 HA MET 17 HA MET 17 -7.957 0.819 5.608
121 1HB MET 17 2HB MET 17 -10.047 2.969 5.790
122 2HB MET 17 1HB MET 17 -8.316 3.263 5.776
123 1HG MET 17 2HG MET 17 -8.674 1.711 3.551
124 2HG MET 17 1HG MET 17 -10.139 2.689 3.577
125 1HE MET 17 1HE MET 17 -9.911 3.614 1.630
126 2HE MET 17 2HE MET 17 -8.558 4.499 0.925
127 3HE MET 17 3HE MET 17 -9.717 5.335 1.959
128 H LEU 18 H LEU 18 -8.142 -0.507 7.659
129 HA LEU 18 HA LEU 18 -7.385 1.101 9.835
130 1HB LEU 18 2HB LEU 18 -9.140 0.798 11.376
131 2HB LEU 18 1HB LEU 18 -9.895 1.334 9.890
132 HG LEU 18 HG LEU 18 -9.960 -1.404 11.130
133 1HD1 LEU 18 1HD1 LEU 18 -12.100 0.491 10.183
134 2HD1 LEU 18 2HD1 LEU 18 -11.643 0.185 11.860
135 3HD1 LEU 18 3HD1 LEU 18 -12.373 -1.099 10.895
136 1HD2 LEU 18 1HD2 LEU 18 -11.075 -2.222 9.122
137 2HD2 LEU 18 2HD2 LEU 18 -9.430 -1.700 8.758
138 3HD2 LEU 18 3HD2 LEU 18 -10.797 -0.673 8.325
139 H GLY 19 H GLY 19 -5.973 -0.744 8.684
140 1HA GLY 19 2HA GLY 19 -5.904 -2.910 10.681
141 2HA GLY 19 1HA GLY 19 -5.766 -3.291 8.971
142 H ASP 20 H ASP 20 -3.808 -3.235 8.038
143 HA ASP 20 HA ASP 20 -1.480 -3.064 9.600
144 1HB ASP 20 2HB ASP 20 -1.552 -2.762 6.603
145 2HB ASP 20 1HB ASP 20 -0.288 -3.470 7.599
146 H LEU 21 H LEU 21 0.411 -1.667 8.588
147 HA LEU 21 HA LEU 21 -0.435 1.081 8.090
148 1HB LEU 21 2HB LEU 21 -0.301 1.181 10.443
149 2HB LEU 21 1HB LEU 21 1.136 0.179 10.489
150 HG LEU 21 HG LEU 21 2.517 1.962 9.714
151 1HD1 LEU 21 1HD1 LEU 21 1.161 4.259 9.453
152 2HD1 LEU 21 2HD1 LEU 21 -0.056 3.128 8.861
153 3HD1 LEU 21 3HD1 LEU 21 1.533 3.193 8.098
154 1HD2 LEU 21 1HD2 LEU 21 1.683 3.845 11.383
155 2HD2 LEU 21 2HD2 LEU 21 2.381 2.329 11.953
156 3HD2 LEU 21 3HD2 LEU 21 0.631 2.538 11.927
157 H ILE 22 H ILE 22 0.457 0.762 6.034
158 HA ILE 22 HA ILE 22 3.311 0.202 5.870
159 HB ILE 22 HB ILE 22 2.131 -1.034 4.271
160 1HG1 ILE 22 2HG1 ILE 22 4.108 0.488 3.468
161 2HG1 ILE 22 1HG1 ILE 22 3.202 -0.509 2.341
162 1HG2 ILE 22 1HG2 ILE 22 0.603 1.477 3.711
163 2HG2 ILE 22 2HG2 ILE 22 -0.006 -0.078 4.279
164 3HG2 ILE 22 3HG2 ILE 22 0.578 0.089 2.623
165 1HD1 ILE 22 1HD1 ILE 22 2.153 1.278 1.383
166 2HD1 ILE 22 2HD1 ILE 22 3.736 1.954 1.760
167 3HD1 ILE 22 3HD1 ILE 22 2.355 2.305 2.800
168 H CYS 23 H CYS 23 4.781 1.562 4.833
169 HA CYS 23 HA CYS 23 3.952 4.389 4.758
170 1HB CYS 23 2HB CYS 23 5.622 3.858 6.493
171 2HB CYS 23 1HB CYS 23 6.696 3.209 5.260
172 H ALA 24 H ALA 24 3.264 4.276 2.585
173 HA ALA 24 HA ALA 24 5.061 3.331 0.560
174 1HB ALA 24 1HB ALA 24 3.246 4.503 -0.930
175 2HB ALA 24 2HB ALA 24 2.326 4.491 0.574
176 3HB ALA 24 3HB ALA 24 2.912 2.976 -0.116
177 H VAL 25 H VAL 25 5.898 4.585 -1.160
178 HA VAL 25 HA VAL 25 6.109 7.462 -0.744
179 HB VAL 25 HB VAL 25 8.633 5.907 -1.181
180 1HG1 VAL 25 1HG1 VAL 25 8.663 8.292 -1.663
181 2HG1 VAL 25 2HG1 VAL 25 9.666 7.927 -0.259
182 3HG1 VAL 25 3HG1 VAL 25 8.068 8.639 -0.039
183 1HG2 VAL 25 1HG2 VAL 25 7.981 4.960 0.850
184 2HG2 VAL 25 2HG2 VAL 25 7.263 6.465 1.426
185 3HG2 VAL 25 3HG2 VAL 25 9.017 6.307 1.326
186 H ILE 26 H ILE 26 6.532 8.624 -2.540
187 HA ILE 26 HA ILE 26 6.689 7.168 -5.101
188 HB ILE 26 HB ILE 26 5.840 9.610 -5.864
189 1HG1 ILE 26 2HG1 ILE 26 5.616 10.142 -3.353
190 2HG1 ILE 26 1HG1 ILE 26 4.298 10.599 -4.420
191 1HG2 ILE 26 1HG2 ILE 26 3.692 7.727 -5.077
192 2HG2 ILE 26 2HG2 ILE 26 4.935 7.162 -6.188
193 3HG2 ILE 26 3HG2 ILE 26 3.966 8.573 -6.596
194 1HD1 ILE 26 1HD1 ILE 26 3.130 8.505 -3.719
195 2HD1 ILE 26 2HD1 ILE 26 3.363 9.694 -2.438
196 3HD1 ILE 26 3HD1 ILE 26 4.403 8.273 -2.521
197 H GLY 27 H GLY 27 8.984 7.208 -4.943
198 1HA GLY 27 2HA GLY 27 11.024 8.009 -5.627
199 2HA GLY 27 1HA GLY 27 10.183 9.418 -6.254
200 H ASP 28 H ASP 28 9.190 10.713 -4.234
201 HA ASP 28 HA ASP 28 11.086 10.885 -2.053
202 1HB ASP 28 2HB ASP 28 10.656 13.172 -3.983
203 2HB ASP 28 1HB ASP 28 11.475 13.320 -2.430
204 H ALA 29 H ALA 29 8.126 10.431 -2.623
205 HA ALA 29 HA ALA 29 7.175 12.386 -0.627
206 1HB ALA 29 1HB ALA 29 5.730 13.217 -2.092
207 2HB ALA 29 2HB ALA 29 4.944 11.639 -2.164
208 3HB ALA 29 3HB ALA 29 6.225 12.040 -3.308
209 H LYS 30 H LYS 30 7.246 11.060 1.111
210 HA LYS 30 HA LYS 30 6.002 8.422 0.933
211 1HB LYS 30 2HB LYS 30 6.963 8.241 3.322
212 2HB LYS 30 1HB LYS 30 8.078 8.221 1.965
213 1HG LYS 30 2HG LYS 30 8.709 10.485 2.344
214 2HG LYS 30 1HG LYS 30 7.435 10.697 3.544
215 1HD LYS 30 2HD LYS 30 9.005 10.199 5.061
216 2HD LYS 30 1HD LYS 30 8.833 8.533 4.509
217 1HE LYS 30 2HE LYS 30 11.041 8.676 4.118
218 2HE LYS 30 1HE LYS 30 10.544 9.521 2.652
219 1HZ LYS 30 1HZ LYS 30 12.248 10.528 4.429
220 2HZ LYS 30 2HZ LYS 30 10.802 11.166 5.031
221 3HZ LYS 30 3HZ LYS 30 11.268 11.486 3.437
222 H GLU 31 H GLU 31 4.421 7.704 2.363
223 HA GLU 31 HA GLU 31 3.183 9.487 4.255
224 1HB GLU 31 2HB GLU 31 2.186 10.310 2.175
225 2HB GLU 31 1HB GLU 31 1.677 8.679 1.757
226 1HG GLU 31 2HG GLU 31 0.690 9.346 4.354
227 2HG GLU 31 1HG GLU 31 0.265 10.622 3.214
228 H GLU 32 H GLU 32 1.808 8.393 5.702
229 HA GLU 32 HA GLU 32 2.077 5.491 5.615
230 1HB GLU 32 2HB GLU 32 0.757 7.009 7.838
231 2HB GLU 32 1HB GLU 32 1.584 5.459 7.899
232 1HG GLU 32 2HG GLU 32 3.712 6.486 7.743
233 2HG GLU 32 1HG GLU 32 2.996 8.043 7.329
234 H HIS 33 H HIS 33 0.447 4.072 5.543
235 HA HIS 33 HA HIS 33 -2.305 4.866 5.781
236 1HB HIS 33 2HB HIS 33 -2.990 4.264 3.519
237 2HB HIS 33 1HB HIS 33 -1.817 5.580 3.471
238 HD1 HIS 33 1HD HIS 33 -2.328 2.058 2.456
239 HD2 HIS 33 2HD HIS 33 0.739 4.856 2.503
240 HE1 HIS 33 1HE HIS 33 -0.509 1.090 1.023
241 HE2 HIS 33 2HE HIS 33 1.249 2.879 0.929
242 H ARG 34 H ARG 34 -3.702 3.117 5.966
243 HA ARG 34 HA ARG 34 -2.386 0.633 6.676
244 1HB ARG 34 2HB ARG 34 -5.332 1.187 6.900
245 2HB ARG 34 1HB ARG 34 -4.357 0.064 7.838
246 1HG ARG 34 2HG ARG 34 -3.130 2.357 8.486
247 2HG ARG 34 1HG ARG 34 -4.752 2.972 8.164
248 1HD ARG 34 2HD ARG 34 -5.324 2.324 10.212
249 2HD ARG 34 1HD ARG 34 -5.125 0.656 9.683
250 HE ARG 34 HE ARG 34 -3.148 0.543 10.843
251 1HH1 ARG 34 1HH1 ARG 34 -4.184 3.872 10.654
252 2HH1 ARG 34 2HH1 ARG 34 -3.002 4.433 11.787
253 1HH2 ARG 34 1HH2 ARG 34 -1.591 1.283 12.331
254 2HH2 ARG 34 2HH2 ARG 34 -1.530 2.965 12.738
255 H ASN 35 H ASN 35 -4.255 1.835 4.020
256 HA ASN 35 HA ASN 35 -5.045 -0.835 3.175
257 1HB ASN 35 2HB ASN 35 -5.876 1.866 2.547
258 2HB ASN 35 1HB ASN 35 -5.624 0.922 1.087
259 1HD2 ASN 35 1HD2 ASN 35 -6.763 -0.095 4.282
260 2HD2 ASN 35 2HD2 ASN 35 -8.296 -0.679 3.740
261 H MET 36 H MET 36 -2.749 -1.490 3.063
262 HA MET 36 HA MET 36 -0.972 -0.492 1.126
263 1HB MET 36 2HB MET 36 0.083 -1.819 2.684
264 2HB MET 36 1HB MET 36 -1.221 -2.992 2.725
265 1HG MET 36 2HG MET 36 -0.497 -3.866 0.558
266 2HG MET 36 1HG MET 36 0.815 -2.691 0.531
267 1HE MET 36 1HE MET 36 0.075 -6.370 2.874
268 2HE MET 36 2HE MET 36 -0.979 -4.958 2.799
269 3HE MET 36 3HE MET 36 0.185 -5.119 4.114
270 H CYS 37 H CYS 37 -3.807 -2.426 0.825
271 HA CYS 37 HA CYS 37 -2.988 -3.501 -1.742
272 1HB CYS 37 2HB CYS 37 -5.118 -4.631 -1.799
273 2HB CYS 37 1HB CYS 37 -4.382 -4.866 -0.222
274 H ALA 38 H ALA 38 -4.995 -0.943 -0.454
275 HA ALA 38 HA ALA 38 -6.111 -0.211 -2.992
276 1HB ALA 38 1HB ALA 38 -6.991 0.290 -0.577
277 2HB ALA 38 2HB ALA 38 -7.253 1.450 -1.879
278 3HB ALA 38 3HB ALA 38 -5.952 1.708 -0.717
279 H LEU 39 H LEU 39 -3.091 0.116 -1.597
280 HA LEU 39 HA LEU 39 -2.447 2.604 -2.940
281 1HB LEU 39 2HB LEU 39 -1.436 1.207 -0.704
282 2HB LEU 39 1HB LEU 39 -0.145 1.236 -1.885
283 HG LEU 39 HG LEU 39 -0.102 3.156 -0.305
284 1HD1 LEU 39 1HD1 LEU 39 -0.154 4.908 -2.258
285 2HD1 LEU 39 2HD1 LEU 39 -0.228 3.436 -3.231
286 3HD1 LEU 39 3HD1 LEU 39 1.108 3.689 -2.107
287 1HD2 LEU 39 1HD2 LEU 39 -2.365 4.409 -1.746
288 2HD2 LEU 39 2HD2 LEU 39 -1.766 4.700 -0.114
289 3HD2 LEU 39 3HD2 LEU 39 -2.733 3.266 -0.455
290 H CYS 40 H CYS 40 -1.450 -0.787 -3.054
291 HA CYS 40 HA CYS 40 0.283 -0.526 -5.252
292 1HB CYS 40 2HB CYS 40 0.048 -2.516 -3.679
293 2HB CYS 40 1HB CYS 40 -1.346 -2.984 -4.645
294 H CYS 41 H CYS 41 -3.187 -0.730 -5.009
295 HA CYS 41 HA CYS 41 -3.504 -1.281 -7.842
296 1HB CYS 41 2HB CYS 41 -5.453 -2.072 -7.178
297 2HB CYS 41 1HB CYS 41 -5.090 -1.592 -5.537
298 H GLU 42 H GLU 42 -3.845 1.370 -5.588
299 HA GLU 42 HA GLU 42 -4.702 3.168 -7.737
300 1HB GLU 42 2HB GLU 42 -5.754 2.980 -5.355
301 2HB GLU 42 1HB GLU 42 -4.421 4.030 -4.889
302 1HG GLU 42 2HG GLU 42 -5.181 5.788 -6.207
303 2HG GLU 42 1HG GLU 42 -6.201 4.736 -7.186
304 H HIS 43 H HIS 43 -1.784 2.203 -7.104
305 HA HIS 43 HA HIS 43 -0.659 4.884 -7.486
306 1HB HIS 43 2HB HIS 43 -0.017 3.027 -5.275
307 2HB HIS 43 1HB HIS 43 1.332 3.868 -6.015
308 HD1 HIS 43 1HD HIS 43 1.715 6.224 -5.270
309 HD2 HIS 43 2HD HIS 43 -2.090 4.862 -4.306
310 HE1 HIS 43 1HE HIS 43 0.676 8.052 -3.889
311 HE2 HIS 43 2HE HIS 43 -1.588 7.163 -3.236
312 HA PRO 44 HA PRO 44 2.057 3.546 -10.606
313 1HB PRO 44 2HB PRO 44 4.440 3.774 -8.833
314 2HB PRO 44 1HB PRO 44 4.143 4.490 -10.420
315 1HG PRO 44 2HG PRO 44 3.975 5.985 -8.233
316 2HG PRO 44 1HG PRO 44 2.805 6.186 -9.552
317 1HD PRO 44 2HD PRO 44 2.479 4.809 -6.917
318 2HD PRO 44 1HD PRO 44 1.316 5.806 -7.814
319 H GLY 45 H GLY 45 1.222 1.372 -10.508
320 1HA GLY 45 2HA GLY 45 1.345 -0.920 -10.187
321 2HA GLY 45 1HA GLY 45 2.955 -0.648 -10.828
322 H GLY 46 H GLY 46 1.865 0.515 -7.698
323 1HA GLY 46 2HA GLY 46 2.349 -0.240 -5.560
324 2HA GLY 46 1HA GLY 46 3.053 -1.687 -6.265
325 H PHE 47 H PHE 47 3.887 1.686 -6.899
326 HA PHE 47 HA PHE 47 6.499 1.673 -7.169
327 1HB PHE 47 2HB PHE 47 6.627 3.875 -5.947
328 2HB PHE 47 1HB PHE 47 5.418 3.760 -7.214
329 HD1 PHE 47 1HD PHE 47 3.538 2.053 -5.196
330 HD2 PHE 47 2HD PHE 47 5.500 5.815 -5.090
331 HE1 PHE 47 1HE PHE 47 1.850 2.878 -3.641
332 HE2 PHE 47 2HE PHE 47 3.811 6.647 -3.520
333 HZ PHE 47 HZ PHE 47 1.983 5.190 -2.804
334 H GLU 48 H GLU 48 6.444 3.123 -4.012
335 HA GLU 48 HA GLU 48 7.770 0.683 -2.983
336 1HB GLU 48 2HB GLU 48 9.409 2.207 -1.821
337 2HB GLU 48 1HB GLU 48 9.567 2.104 -3.570
338 1HG GLU 48 2HG GLU 48 8.473 4.227 -3.840
339 2HG GLU 48 1HG GLU 48 8.152 4.317 -2.109
340 H TYR 49 H TYR 49 7.798 0.349 -0.773
341 HA TYR 49 HA TYR 49 6.221 2.058 0.992
342 1HB TYR 49 2HB TYR 49 4.797 0.311 1.751
343 2HB TYR 49 1HB TYR 49 4.544 0.509 0.039
344 HD1 TYR 49 1HD TYR 49 4.411 -1.825 2.373
345 HD2 TYR 49 2HD TYR 49 6.598 -1.104 -1.197
346 HE1 TYR 49 1HE TYR 49 4.762 -4.231 2.120
347 HE2 TYR 49 2HE TYR 49 6.967 -3.512 -1.458
348 HH TYR 49 HH TYR 49 6.369 -5.751 1.021
349 H SER 50 H SER 50 6.149 1.149 3.158
350 HA SER 50 HA SER 50 8.333 -0.591 3.914
351 1HB SER 50 2HB SER 50 8.282 2.029 5.320
352 2HB SER 50 1HB SER 50 9.622 0.913 5.066
353 HG SER 50 HG SER 50 10.078 1.868 3.237
354 H ASN 51 H ASN 51 6.465 -1.776 4.489
355 HA ASN 51 HA ASN 51 4.395 -1.031 6.088
356 1HB ASN 51 2HB ASN 51 5.767 -3.607 5.667
357 2HB ASN 51 1HB ASN 51 4.671 -3.499 7.029
358 1HD2 ASN 51 1HD2 ASN 51 2.521 -3.487 6.691
359 2HD2 ASN 51 2HD2 ASN 51 1.783 -3.621 5.136
360 H GLY 52 H GLY 52 3.989 -0.745 8.125
361 1HA GLY 52 2HA GLY 52 4.387 -0.840 10.472
362 2HA GLY 52 1HA GLY 52 6.086 -1.146 10.138
363 HA PRO 53 HA PRO 53 5.808 3.298 11.340
364 1HB PRO 53 2HB PRO 53 8.129 3.358 12.731
365 2HB PRO 53 1HB PRO 53 6.609 2.803 13.442
366 1HG PRO 53 2HG PRO 53 8.883 1.198 12.341
367 2HG PRO 53 1HG PRO 53 7.934 0.930 13.815
368 1HD PRO 53 2HD PRO 53 7.498 -0.433 11.503
369 2HD PRO 53 1HD PRO 53 6.211 -0.075 12.671
370 H CYS 54 H CYS 54 6.753 5.001 10.315
371 HA CYS 54 HA CYS 54 9.354 5.064 9.266
372 1HB CYS 54 2HB CYS 54 8.949 3.600 7.546
373 2HB CYS 54 1HB CYS 54 7.235 3.970 7.490
374 H GLU 55 H GLU 55 6.217 6.108 7.930
375 HA GLU 55 HA GLU 55 7.176 8.845 7.832
376 1HB GLU 55 2HB GLU 55 5.065 7.290 6.535
377 2HB GLU 55 1HB GLU 55 4.539 8.896 7.019
378 1HG GLU 55 2HG GLU 55 7.001 8.360 5.382
379 2HG GLU 55 1HG GLU 55 5.421 8.751 4.703
Start of MODEL 19
1 1H ALA 1 1H ALA 1 5.817 0.773 -9.940
2 2H ALA 1 2H ALA 1 7.489 0.464 -9.703
3 3H ALA 1 3H ALA 1 6.592 1.308 -8.508
4 HA ALA 1 HA ALA 1 5.243 -0.634 -8.152
5 1HB ALA 1 1HB ALA 1 5.986 -1.439 -10.579
6 2HB ALA 1 2HB ALA 1 5.456 -2.563 -9.328
7 3HB ALA 1 3HB ALA 1 7.177 -2.325 -9.626
8 H HIS 2 H HIS 2 5.763 -1.782 -6.330
9 HA HIS 2 HA HIS 2 8.578 -1.883 -5.532
10 1HB HIS 2 2HB HIS 2 7.046 -0.008 -4.500
11 2HB HIS 2 1HB HIS 2 6.561 -1.335 -3.444
12 HD1 HIS 2 1HD HIS 2 10.066 -0.858 -4.765
13 HD2 HIS 2 2HD HIS 2 7.959 -0.532 -1.203
14 HE1 HIS 2 1HE HIS 2 11.807 -0.533 -2.983
15 HE2 HIS 2 2HE HIS 2 10.512 -0.381 -0.827
16 H MET 3 H MET 3 7.880 -2.848 -2.994
17 HA MET 3 HA MET 3 7.937 -5.625 -3.541
18 1HB MET 3 2HB MET 3 8.616 -4.017 -1.404
19 2HB MET 3 1HB MET 3 7.246 -4.931 -0.787
20 1HG MET 3 2HG MET 3 9.361 -6.019 -0.275
21 2HG MET 3 1HG MET 3 8.358 -7.014 -1.328
22 1HE MET 3 1HE MET 3 12.185 -5.261 -1.359
23 2HE MET 3 2HE MET 3 12.416 -6.980 -1.675
24 3HE MET 3 3HE MET 3 11.380 -6.458 -0.345
25 H ASP 4 H ASP 4 6.377 -6.666 -1.401
26 HA ASP 4 HA ASP 4 4.241 -7.783 -2.280
27 1HB ASP 4 2HB ASP 4 4.144 -6.178 0.279
28 2HB ASP 4 1HB ASP 4 3.039 -7.485 -0.139
29 H CYS 5 H CYS 5 2.365 -7.451 -3.270
30 HA CYS 5 HA CYS 5 0.822 -5.055 -2.935
31 1HB CYS 5 2HB CYS 5 2.103 -3.966 -4.503
32 2HB CYS 5 1HB CYS 5 2.577 -5.450 -5.306
33 H THR 6 H THR 6 -1.283 -5.476 -3.245
34 HA THR 6 HA THR 6 -2.474 -7.863 -3.275
35 HB THR 6 HB THR 6 -3.478 -5.445 -4.801
36 HG1 THR 6 1HG THR 6 -3.077 -4.818 -2.745
37 1HG2 THR 6 1HG2 THR 6 -4.847 -7.403 -5.257
38 2HG2 THR 6 2HG2 THR 6 -5.704 -6.234 -4.254
39 3HG2 THR 6 3HG2 THR 6 -5.022 -7.688 -3.526
40 H GLU 7 H GLU 7 -1.121 -6.343 -6.208
41 HA GLU 7 HA GLU 7 -2.097 -7.210 -8.389
42 1HB GLU 7 2HB GLU 7 0.477 -6.767 -7.655
43 2HB GLU 7 1HB GLU 7 0.565 -8.444 -8.171
44 1HG GLU 7 2HG GLU 7 -0.939 -6.985 -10.092
45 2HG GLU 7 1HG GLU 7 0.553 -6.109 -9.758
46 H PHE 8 H PHE 8 -3.688 -8.788 -8.056
47 HA PHE 8 HA PHE 8 -2.882 -11.394 -8.852
48 1HB PHE 8 2HB PHE 8 -3.735 -12.702 -7.027
49 2HB PHE 8 1HB PHE 8 -2.520 -11.595 -6.413
50 HD1 PHE 8 1HD PHE 8 -4.201 -12.924 -4.555
51 HD2 PHE 8 2HD PHE 8 -4.981 -9.370 -6.758
52 HE1 PHE 8 1HE PHE 8 -5.757 -12.185 -2.802
53 HE2 PHE 8 2HE PHE 8 -6.525 -8.626 -5.007
54 HZ PHE 8 HZ PHE 8 -6.924 -10.029 -3.027
55 H ASN 9 H ASN 9 -5.580 -12.378 -7.659
56 HA ASN 9 HA ASN 9 -7.024 -11.819 -10.018
57 1HB ASN 9 2HB ASN 9 -8.864 -12.858 -8.166
58 2HB ASN 9 1HB ASN 9 -8.019 -13.710 -9.444
59 1HD2 ASN 9 1HD2 ASN 9 -8.886 -14.345 -6.595
60 2HD2 ASN 9 2HD2 ASN 9 -7.476 -15.052 -5.889
61 HA PRO 10 HA PRO 10 -9.966 -8.954 -7.763
62 1HB PRO 10 2HB PRO 10 -10.471 -9.051 -5.168
63 2HB PRO 10 1HB PRO 10 -11.013 -10.365 -6.222
64 1HG PRO 10 2HG PRO 10 -8.616 -10.249 -4.426
65 2HG PRO 10 1HG PRO 10 -9.782 -11.567 -4.644
66 1HD PRO 10 2HD PRO 10 -7.321 -11.433 -5.898
67 2HD PRO 10 1HD PRO 10 -8.712 -12.360 -6.486
68 H LEU 11 H LEU 11 -8.338 -7.348 -8.308
69 HA LEU 11 HA LEU 11 -6.260 -6.366 -6.883
70 1HB LEU 11 2HB LEU 11 -8.268 -5.092 -8.651
71 2HB LEU 11 1HB LEU 11 -7.253 -4.018 -7.709
72 HG LEU 11 HG LEU 11 -5.254 -4.931 -8.720
73 1HD1 LEU 11 1HD1 LEU 11 -7.161 -6.870 -9.994
74 2HD1 LEU 11 2HD1 LEU 11 -5.740 -7.214 -9.008
75 3HD1 LEU 11 3HD1 LEU 11 -5.546 -6.565 -10.636
76 1HD2 LEU 11 1HD2 LEU 11 -5.847 -4.436 -11.179
77 2HD2 LEU 11 2HD2 LEU 11 -6.055 -3.155 -9.986
78 3HD2 LEU 11 3HD2 LEU 11 -7.454 -4.063 -10.557
79 H CYS 12 H CYS 12 -6.094 -4.237 -5.661
80 HA CYS 12 HA CYS 12 -6.594 -4.254 -3.162
81 1HB CYS 12 2HB CYS 12 -6.858 -1.879 -3.031
82 2HB CYS 12 1HB CYS 12 -5.767 -2.271 -4.349
83 H ARG 13 H ARG 13 -8.477 -5.848 -3.446
84 HA ARG 13 HA ARG 13 -11.082 -4.548 -3.192
85 1HB ARG 13 2HB ARG 13 -10.157 -7.146 -4.014
86 2HB ARG 13 1HB ARG 13 -11.320 -7.326 -2.708
87 1HG ARG 13 2HG ARG 13 -12.347 -7.403 -4.945
88 2HG ARG 13 1HG ARG 13 -12.977 -6.098 -3.940
89 1HD ARG 13 2HD ARG 13 -12.554 -4.746 -5.664
90 2HD ARG 13 1HD ARG 13 -10.850 -4.929 -5.257
91 HE ARG 13 HE ARG 13 -10.575 -6.287 -7.092
92 1HH1 ARG 13 1HH1 ARG 13 -13.982 -5.758 -6.543
93 2HH1 ARG 13 2HH1 ARG 13 -14.458 -6.439 -8.061
94 1HH2 ARG 13 1HH2 ARG 13 -11.203 -7.186 -9.087
95 2HH2 ARG 13 2HH2 ARG 13 -12.883 -7.251 -9.503
96 H CYS 14 H CYS 14 -9.238 -3.926 -1.195
97 HA CYS 14 HA CYS 14 -10.490 -5.177 1.132
98 1HB CYS 14 2HB CYS 14 -8.507 -5.585 2.177
99 2HB CYS 14 1HB CYS 14 -7.947 -5.706 0.519
100 H ASN 15 H ASN 15 -11.695 -3.756 2.090
101 HA ASN 15 HA ASN 15 -11.259 -0.913 1.806
102 1HB ASN 15 2HB ASN 15 -13.473 -2.595 2.410
103 2HB ASN 15 1HB ASN 15 -13.275 -1.474 3.745
104 1HD2 ASN 15 1HD2 ASN 15 -12.276 0.719 2.366
105 2HD2 ASN 15 2HD2 ASN 15 -13.521 1.348 1.347
106 H LYS 16 H LYS 16 -11.336 -3.252 4.431
107 HA LYS 16 HA LYS 16 -11.091 -2.194 6.743
108 1HB LYS 16 2HB LYS 16 -9.380 -3.731 7.433
109 2HB LYS 16 1HB LYS 16 -10.389 -4.512 6.224
110 1HG LYS 16 2HG LYS 16 -8.275 -3.280 4.833
111 2HG LYS 16 1HG LYS 16 -7.565 -4.100 6.225
112 1HD LYS 16 2HD LYS 16 -9.566 -5.486 4.476
113 2HD LYS 16 1HD LYS 16 -7.862 -5.414 4.023
114 1HE LYS 16 2HE LYS 16 -8.009 -7.421 5.182
115 2HE LYS 16 1HE LYS 16 -7.425 -6.296 6.408
116 1HZ LYS 16 1HZ LYS 16 -10.265 -7.091 6.049
117 2HZ LYS 16 2HZ LYS 16 -9.651 -6.091 7.269
118 3HZ LYS 16 3HZ LYS 16 -9.221 -7.726 7.220
119 H MET 17 H MET 17 -10.634 0.062 5.684
120 HA MET 17 HA MET 17 -7.875 0.862 5.597
121 1HB MET 17 2HB MET 17 -10.250 1.907 4.702
122 2HB MET 17 1HB MET 17 -9.812 2.991 6.012
123 1HG MET 17 2HG MET 17 -7.918 3.737 4.949
124 2HG MET 17 1HG MET 17 -7.768 2.281 3.967
125 1HE MET 17 1HE MET 17 -8.394 5.954 3.637
126 2HE MET 17 2HE MET 17 -9.763 5.496 4.650
127 3HE MET 17 3HE MET 17 -10.039 6.099 3.016
128 H LEU 18 H LEU 18 -8.073 -0.339 7.876
129 HA LEU 18 HA LEU 18 -7.215 1.566 9.776
130 1HB LEU 18 2HB LEU 18 -8.926 1.271 11.463
131 2HB LEU 18 1HB LEU 18 -9.624 1.927 9.995
132 HG LEU 18 HG LEU 18 -9.767 -0.983 10.090
133 1HD1 LEU 18 1HD1 LEU 18 -11.201 -1.298 11.890
134 2HD1 LEU 18 2HD1 LEU 18 -11.517 0.428 12.066
135 3HD1 LEU 18 3HD1 LEU 18 -9.956 -0.235 12.548
136 1HD2 LEU 18 1HD2 LEU 18 -12.075 -0.546 9.460
137 2HD2 LEU 18 2HD2 LEU 18 -10.969 0.425 8.487
138 3HD2 LEU 18 3HD2 LEU 18 -11.861 1.169 9.814
139 H GLY 19 H GLY 19 -5.604 -0.243 9.140
140 1HA GLY 19 2HA GLY 19 -5.626 -2.163 11.339
141 2HA GLY 19 1HA GLY 19 -5.576 -2.830 9.717
142 H ASP 20 H ASP 20 -3.650 -3.112 8.792
143 HA ASP 20 HA ASP 20 -1.271 -2.891 10.175
144 1HB ASP 20 2HB ASP 20 -1.413 -2.767 7.170
145 2HB ASP 20 1HB ASP 20 -0.173 -3.499 8.176
146 H LEU 21 H LEU 21 0.683 -1.710 9.066
147 HA LEU 21 HA LEU 21 0.005 1.090 8.516
148 1HB LEU 21 2HB LEU 21 0.443 1.092 10.866
149 2HB LEU 21 1HB LEU 21 1.874 0.098 10.663
150 HG LEU 21 HG LEU 21 3.074 1.914 9.641
151 1HD1 LEU 21 1HD1 LEU 21 0.392 3.235 9.614
152 2HD1 LEU 21 2HD1 LEU 21 1.568 3.063 8.312
153 3HD1 LEU 21 3HD1 LEU 21 1.868 4.201 9.626
154 1HD2 LEU 21 1HD2 LEU 21 3.517 2.994 11.566
155 2HD2 LEU 21 2HD2 LEU 21 2.402 1.811 12.250
156 3HD2 LEU 21 3HD2 LEU 21 1.829 3.426 11.837
157 H ILE 22 H ILE 22 0.665 0.993 6.424
158 HA ILE 22 HA ILE 22 3.287 -0.076 5.780
159 HB ILE 22 HB ILE 22 1.721 -0.706 4.168
160 1HG1 ILE 22 2HG1 ILE 22 3.854 0.550 3.333
161 2HG1 ILE 22 1HG1 ILE 22 2.610 0.028 2.205
162 1HG2 ILE 22 1HG2 ILE 22 -0.153 0.606 4.634
163 2HG2 ILE 22 2HG2 ILE 22 0.294 1.008 2.975
164 3HG2 ILE 22 3HG2 ILE 22 0.714 2.104 4.292
165 1HD1 ILE 22 1HD1 ILE 22 2.359 2.752 3.343
166 2HD1 ILE 22 2HD1 ILE 22 1.943 2.144 1.741
167 3HD1 ILE 22 3HD1 ILE 22 3.624 2.463 2.153
168 H CYS 23 H CYS 23 4.890 1.101 4.681
169 HA CYS 23 HA CYS 23 4.770 4.021 5.147
170 1HB CYS 23 2HB CYS 23 7.313 2.401 5.033
171 2HB CYS 23 1HB CYS 23 7.101 4.045 5.623
172 H ALA 24 H ALA 24 3.990 4.512 3.079
173 HA ALA 24 HA ALA 24 5.524 3.531 0.808
174 1HB ALA 24 1HB ALA 24 3.747 4.682 -0.543
175 2HB ALA 24 2HB ALA 24 2.935 5.045 0.979
176 3HB ALA 24 3HB ALA 24 3.186 3.371 0.491
177 H VAL 25 H VAL 25 6.454 4.813 -0.730
178 HA VAL 25 HA VAL 25 6.734 7.674 -0.261
179 HB VAL 25 HB VAL 25 8.614 6.420 0.856
180 1HG1 VAL 25 1HG1 VAL 25 10.439 5.629 -0.603
181 2HG1 VAL 25 2HG1 VAL 25 9.375 5.834 -1.994
182 3HG1 VAL 25 3HG1 VAL 25 8.971 4.663 -0.739
183 1HG2 VAL 25 1HG2 VAL 25 10.098 8.130 0.439
184 2HG2 VAL 25 2HG2 VAL 25 8.592 8.837 -0.146
185 3HG2 VAL 25 3HG2 VAL 25 9.748 8.152 -1.289
186 H ILE 26 H ILE 26 7.351 8.855 -2.078
187 HA ILE 26 HA ILE 26 7.664 7.448 -4.609
188 HB ILE 26 HB ILE 26 5.876 9.387 -5.377
189 1HG1 ILE 26 2HG1 ILE 26 5.284 9.616 -2.916
190 2HG1 ILE 26 1HG1 ILE 26 3.942 9.306 -4.008
191 1HG2 ILE 26 1HG2 ILE 26 6.234 6.728 -5.743
192 2HG2 ILE 26 2HG2 ILE 26 4.893 7.664 -6.400
193 3HG2 ILE 26 3HG2 ILE 26 4.684 6.754 -4.905
194 1HD1 ILE 26 1HD1 ILE 26 3.351 7.690 -2.613
195 2HD1 ILE 26 2HD1 ILE 26 4.882 7.786 -1.743
196 3HD1 ILE 26 3HD1 ILE 26 4.751 6.786 -3.191
197 H GLY 27 H GLY 27 9.710 8.350 -4.658
198 1HA GLY 27 2HA GLY 27 11.265 9.844 -5.437
199 2HA GLY 27 1HA GLY 27 9.926 10.844 -5.979
200 H ASP 28 H ASP 28 8.676 11.709 -3.909
201 HA ASP 28 HA ASP 28 10.469 12.560 -1.805
202 1HB ASP 28 2HB ASP 28 9.105 14.663 -3.490
203 2HB ASP 28 1HB ASP 28 10.274 14.912 -2.196
204 H ALA 29 H ALA 29 7.897 11.054 -2.221
205 HA ALA 29 HA ALA 29 6.298 12.642 -0.318
206 1HB ALA 29 1HB ALA 29 4.698 12.756 -1.866
207 2HB ALA 29 2HB ALA 29 4.462 11.027 -1.612
208 3HB ALA 29 3HB ALA 29 5.515 11.591 -2.908
209 H LYS 30 H LYS 30 7.515 11.425 1.261
210 HA LYS 30 HA LYS 30 6.887 8.580 1.435
211 1HB LYS 30 2HB LYS 30 9.222 9.337 1.786
212 2HB LYS 30 1HB LYS 30 8.691 10.275 3.172
213 1HG LYS 30 2HG LYS 30 8.129 8.315 4.390
214 2HG LYS 30 1HG LYS 30 8.351 7.296 2.966
215 1HD LYS 30 2HD LYS 30 10.257 7.123 4.489
216 2HD LYS 30 1HD LYS 30 10.734 7.833 2.945
217 1HE LYS 30 2HE LYS 30 10.546 10.079 3.975
218 2HE LYS 30 1HE LYS 30 10.197 9.308 5.521
219 1HZ LYS 30 1HZ LYS 30 12.474 9.773 5.555
220 2HZ LYS 30 2HZ LYS 30 12.715 9.238 3.969
221 3HZ LYS 30 3HZ LYS 30 12.394 8.121 5.200
222 H GLU 31 H GLU 31 4.857 8.321 2.218
223 HA GLU 31 HA GLU 31 4.335 9.368 4.904
224 1HB GLU 31 2HB GLU 31 3.131 10.468 2.675
225 2HB GLU 31 1HB GLU 31 1.935 9.306 3.231
226 1HG GLU 31 2HG GLU 31 2.405 10.408 5.561
227 2HG GLU 31 1HG GLU 31 2.970 11.752 4.568
228 H GLU 32 H GLU 32 3.022 8.056 6.192
229 HA GLU 32 HA GLU 32 3.075 5.285 5.554
230 1HB GLU 32 2HB GLU 32 1.413 6.530 7.734
231 2HB GLU 32 1HB GLU 32 2.080 4.905 7.673
232 1HG GLU 32 2HG GLU 32 4.050 5.549 8.506
233 2HG GLU 32 1HG GLU 32 4.093 7.017 7.532
234 H HIS 33 H HIS 33 1.079 3.921 5.853
235 HA HIS 33 HA HIS 33 -1.427 5.075 5.068
236 1HB HIS 33 2HB HIS 33 0.297 4.402 2.992
237 2HB HIS 33 1HB HIS 33 -0.802 3.030 3.097
238 HD1 HIS 33 1HD HIS 33 -3.411 3.646 2.900
239 HD2 HIS 33 2HD HIS 33 -0.728 6.599 1.746
240 HE1 HIS 33 1HE HIS 33 -4.756 5.282 1.547
241 HE2 HIS 33 2HE HIS 33 -3.097 7.024 0.799
242 H ARG 34 H ARG 34 -3.122 3.433 4.848
243 HA ARG 34 HA ARG 34 -2.516 1.051 6.473
244 1HB ARG 34 2HB ARG 34 -5.169 2.465 6.254
245 2HB ARG 34 1HB ARG 34 -4.769 1.126 7.322
246 1HG ARG 34 2HG ARG 34 -2.891 2.964 8.029
247 2HG ARG 34 1HG ARG 34 -4.265 3.993 7.624
248 1HD ARG 34 2HD ARG 34 -5.298 3.456 9.519
249 2HD ARG 34 1HD ARG 34 -5.139 1.735 9.174
250 HE ARG 34 HE ARG 34 -3.342 1.646 10.596
251 1HH1 ARG 34 1HH1 ARG 34 -4.069 4.985 9.886
252 2HH1 ARG 34 2HH1 ARG 34 -2.976 5.606 11.076
253 1HH2 ARG 34 1HH2 ARG 34 -1.906 2.462 12.165
254 2HH2 ARG 34 2HH2 ARG 34 -1.748 4.174 12.370
255 H ASN 35 H ASN 35 -4.618 2.295 3.882
256 HA ASN 35 HA ASN 35 -5.418 -0.364 3.102
257 1HB ASN 35 2HB ASN 35 -6.313 2.289 2.568
258 2HB ASN 35 1HB ASN 35 -5.966 1.518 1.028
259 1HD2 ASN 35 1HD2 ASN 35 -7.104 0.026 4.009
260 2HD2 ASN 35 2HD2 ASN 35 -8.611 -0.523 3.370
261 H MET 36 H MET 36 -2.972 -0.758 3.076
262 HA MET 36 HA MET 36 -1.321 0.118 1.037
263 1HB MET 36 2HB MET 36 0.138 -1.518 1.744
264 2HB MET 36 1HB MET 36 -0.898 -1.350 3.152
265 1HG MET 36 2HG MET 36 -1.167 -3.482 1.043
266 2HG MET 36 1HG MET 36 -0.407 -3.689 2.619
267 1HE MET 36 1HE MET 36 -4.288 -5.111 1.823
268 2HE MET 36 2HE MET 36 -2.806 -5.892 2.375
269 3HE MET 36 3HE MET 36 -2.806 -4.962 0.877
270 H CYS 37 H CYS 37 -4.062 -1.926 0.849
271 HA CYS 37 HA CYS 37 -3.217 -3.265 -1.556
272 1HB CYS 37 2HB CYS 37 -5.366 -4.322 -1.580
273 2HB CYS 37 1HB CYS 37 -4.798 -4.310 0.083
274 H ALA 38 H ALA 38 -5.525 -0.701 -0.751
275 HA ALA 38 HA ALA 38 -6.339 -0.161 -3.400
276 1HB ALA 38 1HB ALA 38 -7.542 0.572 -1.344
277 2HB ALA 38 2HB ALA 38 -7.312 1.846 -2.541
278 3HB ALA 38 3HB ALA 38 -6.286 1.786 -1.108
279 H LEU 39 H LEU 39 -3.447 0.480 -1.756
280 HA LEU 39 HA LEU 39 -2.708 2.768 -3.350
281 1HB LEU 39 2HB LEU 39 -1.860 1.510 -0.959
282 2HB LEU 39 1HB LEU 39 -0.486 1.559 -2.042
283 HG LEU 39 HG LEU 39 -1.352 4.096 -2.299
284 1HD1 LEU 39 1HD1 LEU 39 -2.125 4.991 -0.270
285 2HD1 LEU 39 2HD1 LEU 39 -1.841 3.480 0.596
286 3HD1 LEU 39 3HD1 LEU 39 -3.138 3.586 -0.593
287 1HD2 LEU 39 1HD2 LEU 39 0.902 2.989 -1.530
288 2HD2 LEU 39 2HD2 LEU 39 0.344 3.477 0.070
289 3HD2 LEU 39 3HD2 LEU 39 0.568 4.687 -1.193
290 H CYS 40 H CYS 40 -1.890 -0.650 -3.128
291 HA CYS 40 HA CYS 40 0.078 -0.539 -5.165
292 1HB CYS 40 2HB CYS 40 0.568 -2.514 -4.257
293 2HB CYS 40 1HB CYS 40 -0.931 -2.494 -3.340
294 H CYS 41 H CYS 41 -3.384 -1.138 -5.118
295 HA CYS 41 HA CYS 41 -3.470 -2.043 -7.839
296 1HB CYS 41 2HB CYS 41 -5.710 -2.326 -7.510
297 2HB CYS 41 1HB CYS 41 -5.149 -2.347 -5.853
298 H GLU 42 H GLU 42 -3.906 1.018 -6.190
299 HA GLU 42 HA GLU 42 -4.711 2.408 -8.595
300 1HB GLU 42 2HB GLU 42 -4.132 3.290 -5.781
301 2HB GLU 42 1HB GLU 42 -4.444 4.447 -7.066
302 1HG GLU 42 2HG GLU 42 -6.600 3.143 -7.473
303 2HG GLU 42 1HG GLU 42 -6.291 2.394 -5.908
304 H HIS 43 H HIS 43 -1.758 2.086 -6.712
305 HA HIS 43 HA HIS 43 -0.345 4.104 -8.207
306 1HB HIS 43 2HB HIS 43 0.538 2.091 -6.142
307 2HB HIS 43 1HB HIS 43 1.633 3.239 -6.898
308 HD1 HIS 43 1HD HIS 43 -0.294 5.696 -6.876
309 HD2 HIS 43 2HD HIS 43 0.456 3.217 -3.629
310 HE1 HIS 43 1HE HIS 43 -0.841 7.069 -4.845
311 HE2 HIS 43 2HE HIS 43 -0.221 5.604 -2.894
312 HA PRO 44 HA PRO 44 1.502 1.756 -11.418
313 1HB PRO 44 2HB PRO 44 4.223 2.610 -10.759
314 2HB PRO 44 1HB PRO 44 3.211 3.071 -12.130
315 1HG PRO 44 2HG PRO 44 3.826 4.797 -10.145
316 2HG PRO 44 1HG PRO 44 2.281 4.857 -11.013
317 1HD PRO 44 2HD PRO 44 2.899 3.682 -8.322
318 2HD PRO 44 1HD PRO 44 1.508 4.668 -8.822
319 H GLY 45 H GLY 45 1.232 -0.380 -10.737
320 1HA GLY 45 2HA GLY 45 1.897 -2.481 -10.089
321 2HA GLY 45 1HA GLY 45 3.533 -1.933 -10.428
322 H GLY 46 H GLY 46 1.753 -0.155 -8.083
323 1HA GLY 46 2HA GLY 46 1.658 -0.478 -5.737
324 2HA GLY 46 1HA GLY 46 2.917 -1.692 -5.876
325 H PHE 47 H PHE 47 2.210 1.526 -5.112
326 HA PHE 47 HA PHE 47 4.506 2.934 -5.742
327 1HB PHE 47 2HB PHE 47 2.390 3.145 -3.724
328 2HB PHE 47 1HB PHE 47 3.919 3.817 -3.184
329 HD1 PHE 47 1HD PHE 47 2.322 5.859 -3.072
330 HD2 PHE 47 2HD PHE 47 3.673 4.105 -6.706
331 HE1 PHE 47 1HE PHE 47 1.828 7.952 -4.264
332 HE2 PHE 47 2HE PHE 47 3.181 6.193 -7.902
333 HZ PHE 47 HZ PHE 47 2.258 8.122 -6.682
334 H GLU 48 H GLU 48 6.138 3.689 -3.928
335 HA GLU 48 HA GLU 48 7.568 1.278 -3.189
336 1HB GLU 48 2HB GLU 48 8.673 3.381 -4.010
337 2HB GLU 48 1HB GLU 48 8.235 4.131 -2.483
338 1HG GLU 48 2HG GLU 48 10.119 3.385 -1.626
339 2HG GLU 48 1HG GLU 48 9.504 1.746 -1.807
340 H TYR 49 H TYR 49 6.127 0.335 -1.650
341 HA TYR 49 HA TYR 49 6.204 1.775 0.921
342 1HB TYR 49 2HB TYR 49 4.179 0.571 1.561
343 2HB TYR 49 1HB TYR 49 3.942 1.764 0.320
344 HD1 TYR 49 1HD TYR 49 3.663 -1.674 1.274
345 HD2 TYR 49 2HD TYR 49 3.560 0.987 -2.033
346 HE1 TYR 49 1HE TYR 49 2.480 -3.372 -0.030
347 HE2 TYR 49 2HE TYR 49 2.380 -0.701 -3.359
348 HH TYR 49 HH TYR 49 0.758 -3.104 -2.250
349 H SER 50 H SER 50 6.252 0.616 2.787
350 HA SER 50 HA SER 50 7.073 -2.191 2.621
351 1HB SER 50 2HB SER 50 8.875 -1.677 4.337
352 2HB SER 50 1HB SER 50 9.194 -1.117 2.696
353 HG SER 50 HG SER 50 8.434 0.379 4.963
354 H ASN 51 H ASN 51 5.313 -2.969 3.620
355 HA ASN 51 HA ASN 51 3.801 -1.793 5.583
356 1HB ASN 51 2HB ASN 51 4.328 -4.736 5.219
357 2HB ASN 51 1HB ASN 51 3.040 -4.054 6.205
358 1HD2 ASN 51 1HD2 ASN 51 4.251 -4.414 2.938
359 2HD2 ASN 51 2HD2 ASN 51 2.749 -4.101 2.144
360 H GLY 52 H GLY 52 3.886 -1.514 7.674
361 1HA GLY 52 2HA GLY 52 4.620 -2.447 9.868
362 2HA GLY 52 1HA GLY 52 6.206 -2.627 9.135
363 HA PRO 53 HA PRO 53 5.956 1.549 11.209
364 1HB PRO 53 2HB PRO 53 7.635 1.161 13.256
365 2HB PRO 53 1HB PRO 53 5.946 0.643 13.343
366 1HG PRO 53 2HG PRO 53 8.401 -0.978 12.805
367 2HG PRO 53 1HG PRO 53 6.994 -1.376 13.806
368 1HD PRO 53 2HD PRO 53 7.383 -2.275 11.226
369 2HD PRO 53 1HD PRO 53 5.801 -2.151 12.020
370 H CYS 54 H CYS 54 7.148 2.949 10.075
371 HA CYS 54 HA CYS 54 10.039 2.747 10.104
372 1HB CYS 54 2HB CYS 54 9.348 3.337 7.388
373 2HB CYS 54 1HB CYS 54 10.342 2.028 8.009
374 H GLU 55 H GLU 55 7.238 4.478 8.773
375 HA GLU 55 HA GLU 55 8.576 6.951 8.448
376 1HB GLU 55 2HB GLU 55 6.128 5.943 7.716
377 2HB GLU 55 1HB GLU 55 5.691 7.107 8.960
378 1HG GLU 55 2HG GLU 55 7.632 8.139 7.049
379 2HG GLU 55 1HG GLU 55 6.102 7.662 6.312
Start of MODEL 20
1 1H ALA 1 1H ALA 1 11.255 -1.999 1.381
2 2H ALA 1 2H ALA 1 11.796 -3.547 1.886
3 3H ALA 1 3H ALA 1 10.117 -3.232 1.723
4 HA ALA 1 HA ALA 1 12.042 -3.100 -0.491
5 1HB ALA 1 1HB ALA 1 10.148 -5.345 -0.363
6 2HB ALA 1 2HB ALA 1 11.450 -5.387 0.826
7 3HB ALA 1 3HB ALA 1 11.828 -5.303 -0.894
8 H HIS 2 H HIS 2 11.131 -2.553 -2.416
9 HA HIS 2 HA HIS 2 8.360 -1.621 -2.311
10 1HB HIS 2 2HB HIS 2 8.898 -0.206 -4.172
11 2HB HIS 2 1HB HIS 2 10.191 -0.054 -2.991
12 HD1 HIS 2 1HD HIS 2 10.369 0.515 -6.135
13 HD2 HIS 2 2HD HIS 2 11.794 -2.837 -4.136
14 HE1 HIS 2 1HE HIS 2 12.179 -0.426 -7.604
15 HE2 HIS 2 2HE HIS 2 12.990 -2.484 -6.398
16 H MET 3 H MET 3 7.265 -3.582 -2.606
17 HA MET 3 HA MET 3 6.855 -4.343 -5.309
18 1HB MET 3 2HB MET 3 7.575 -6.780 -4.925
19 2HB MET 3 1HB MET 3 8.826 -5.591 -5.260
20 1HG MET 3 2HG MET 3 8.261 -5.904 -2.419
21 2HG MET 3 1HG MET 3 8.823 -7.385 -3.193
22 1HE MET 3 1HE MET 3 10.900 -7.961 -3.806
23 2HE MET 3 2HE MET 3 11.505 -7.605 -2.188
24 3HE MET 3 3HE MET 3 12.404 -7.064 -3.605
25 H ASP 4 H ASP 4 6.466 -5.207 -1.901
26 HA ASP 4 HA ASP 4 4.430 -7.062 -2.083
27 1HB ASP 4 2HB ASP 4 5.699 -5.792 -0.024
28 2HB ASP 4 1HB ASP 4 4.073 -5.126 0.104
29 H CYS 5 H CYS 5 2.236 -7.026 -2.240
30 HA CYS 5 HA CYS 5 0.812 -4.501 -2.407
31 1HB CYS 5 2HB CYS 5 0.774 -6.436 -4.734
32 2HB CYS 5 1HB CYS 5 -0.085 -4.903 -4.625
33 H THR 6 H THR 6 -1.321 -6.202 -3.953
34 HA THR 6 HA THR 6 -2.789 -6.942 -1.658
35 HB THR 6 HB THR 6 -3.190 -6.930 -4.567
36 HG1 THR 6 1HG THR 6 -5.014 -6.695 -2.422
37 1HG2 THR 6 1HG2 THR 6 -3.755 -9.178 -4.581
38 2HG2 THR 6 2HG2 THR 6 -5.297 -8.379 -4.277
39 3HG2 THR 6 3HG2 THR 6 -4.413 -9.125 -2.946
40 H GLU 7 H GLU 7 -1.798 -9.096 -4.355
41 HA GLU 7 HA GLU 7 -0.403 -10.943 -2.813
42 1HB GLU 7 2HB GLU 7 -3.357 -11.296 -2.949
43 2HB GLU 7 1HB GLU 7 -2.345 -12.729 -3.063
44 1HG GLU 7 2HG GLU 7 -1.301 -11.318 -0.929
45 2HG GLU 7 1HG GLU 7 -3.047 -11.132 -0.773
46 H PHE 8 H PHE 8 -2.407 -10.213 -5.607
47 HA PHE 8 HA PHE 8 -0.549 -11.634 -7.304
48 1HB PHE 8 2HB PHE 8 -2.316 -13.288 -6.276
49 2HB PHE 8 1HB PHE 8 -3.349 -12.634 -7.539
50 HD1 PHE 8 1HD PHE 8 -3.569 -14.301 -9.104
51 HD2 PHE 8 2HD PHE 8 0.286 -13.376 -7.566
52 HE1 PHE 8 1HE PHE 8 -2.553 -15.855 -10.730
53 HE2 PHE 8 2HE PHE 8 1.313 -14.924 -9.186
54 HZ PHE 8 HZ PHE 8 -0.108 -16.165 -10.770
55 H ASN 9 H ASN 9 -2.854 -11.983 -9.298
56 HA ASN 9 HA ASN 9 -2.472 -9.535 -10.667
57 1HB ASN 9 2HB ASN 9 -4.236 -11.931 -11.123
58 2HB ASN 9 1HB ASN 9 -4.375 -10.499 -12.140
59 1HD2 ASN 9 1HD2 ASN 9 -3.217 -13.420 -12.240
60 2HD2 ASN 9 2HD2 ASN 9 -1.760 -13.197 -13.141
61 HA PRO 10 HA PRO 10 -7.051 -8.615 -9.411
62 1HB PRO 10 2HB PRO 10 -8.038 -10.049 -7.307
63 2HB PRO 10 1HB PRO 10 -8.290 -10.518 -8.992
64 1HG PRO 10 2HG PRO 10 -6.308 -11.559 -7.011
65 2HG PRO 10 1HG PRO 10 -7.272 -12.447 -8.204
66 1HD PRO 10 2HD PRO 10 -4.666 -11.848 -8.595
67 2HD PRO 10 1HD PRO 10 -5.828 -11.948 -9.930
68 H LEU 11 H LEU 11 -5.187 -7.186 -8.750
69 HA LEU 11 HA LEU 11 -3.988 -6.985 -6.325
70 1HB LEU 11 2HB LEU 11 -5.023 -4.565 -7.751
71 2HB LEU 11 1HB LEU 11 -3.602 -4.698 -6.741
72 HG LEU 11 HG LEU 11 -2.621 -4.613 -8.788
73 1HD1 LEU 11 1HD1 LEU 11 -1.699 -6.577 -7.960
74 2HD1 LEU 11 2HD1 LEU 11 -2.170 -6.987 -9.609
75 3HD1 LEU 11 3HD1 LEU 11 -3.166 -7.507 -8.253
76 1HD2 LEU 11 1HD2 LEU 11 -4.097 -4.423 -10.452
77 2HD2 LEU 11 2HD2 LEU 11 -5.211 -5.585 -9.737
78 3HD2 LEU 11 3HD2 LEU 11 -3.829 -6.150 -10.675
79 H CYS 12 H CYS 12 -4.653 -4.485 -5.334
80 HA CYS 12 HA CYS 12 -5.720 -4.654 -3.047
81 1HB CYS 12 2HB CYS 12 -6.777 -2.504 -3.113
82 2HB CYS 12 1HB CYS 12 -5.326 -2.477 -4.102
83 H ARG 13 H ARG 13 -6.822 -6.734 -3.447
84 HA ARG 13 HA ARG 13 -9.696 -6.465 -3.938
85 1HB ARG 13 2HB ARG 13 -8.096 -8.416 -4.737
86 2HB ARG 13 1HB ARG 13 -8.415 -9.044 -3.125
87 1HG ARG 13 2HG ARG 13 -10.025 -10.080 -4.417
88 2HG ARG 13 1HG ARG 13 -10.898 -8.711 -3.727
89 1HD ARG 13 2HD ARG 13 -11.371 -7.954 -5.760
90 2HD ARG 13 1HD ARG 13 -9.654 -7.884 -6.158
91 HE ARG 13 HE ARG 13 -10.327 -10.517 -6.448
92 1HH1 ARG 13 1HH1 ARG 13 -11.487 -7.511 -7.789
93 2HH1 ARG 13 2HH1 ARG 13 -11.973 -8.224 -9.290
94 1HH2 ARG 13 1HH2 ARG 13 -10.968 -11.457 -8.421
95 2HH2 ARG 13 2HH2 ARG 13 -11.680 -10.465 -9.649
96 H CYS 14 H CYS 14 -8.461 -5.212 -1.638
97 HA CYS 14 HA CYS 14 -9.905 -6.620 0.480
98 1HB CYS 14 2HB CYS 14 -8.192 -6.402 2.011
99 2HB CYS 14 1HB CYS 14 -7.277 -6.663 0.536
100 H ASN 15 H ASN 15 -11.610 -5.453 0.918
101 HA ASN 15 HA ASN 15 -11.677 -2.596 0.504
102 1HB ASN 15 2HB ASN 15 -13.608 -4.679 0.741
103 2HB ASN 15 1HB ASN 15 -13.961 -3.473 1.963
104 1HD2 ASN 15 1HD2 ASN 15 -13.004 -1.220 0.540
105 2HD2 ASN 15 2HD2 ASN 15 -14.099 -0.918 -0.760
106 H LYS 16 H LYS 16 -12.148 -4.763 3.236
107 HA LYS 16 HA LYS 16 -12.623 -3.503 5.407
108 1HB LYS 16 2HB LYS 16 -11.521 -5.780 5.220
109 2HB LYS 16 1HB LYS 16 -9.979 -4.942 5.310
110 1HG LYS 16 2HG LYS 16 -10.122 -5.134 7.513
111 2HG LYS 16 1HG LYS 16 -11.421 -3.941 7.455
112 1HD LYS 16 2HD LYS 16 -12.173 -5.877 8.683
113 2HD LYS 16 1HD LYS 16 -13.045 -5.784 7.151
114 1HE LYS 16 2HE LYS 16 -12.183 -8.074 7.857
115 2HE LYS 16 1HE LYS 16 -11.811 -7.547 6.216
116 1HZ LYS 16 1HZ LYS 16 -9.909 -8.559 7.405
117 2HZ LYS 16 2HZ LYS 16 -9.944 -7.279 8.509
118 3HZ LYS 16 3HZ LYS 16 -9.604 -6.978 6.880
119 H MET 17 H MET 17 -12.171 -1.321 4.332
120 HA MET 17 HA MET 17 -9.810 0.029 4.239
121 1HB MET 17 2HB MET 17 -12.554 0.842 4.987
122 2HB MET 17 1HB MET 17 -11.253 2.000 5.213
123 1HG MET 17 2HG MET 17 -11.743 2.581 3.105
124 2HG MET 17 1HG MET 17 -10.734 1.194 2.700
125 1HE MET 17 1HE MET 17 -14.919 1.787 3.367
126 2HE MET 17 2HE MET 17 -14.893 2.057 1.625
127 3HE MET 17 3HE MET 17 -13.810 2.969 2.675
128 H LEU 18 H LEU 18 -8.833 -1.322 6.054
129 HA LEU 18 HA LEU 18 -8.039 0.395 8.123
130 1HB LEU 18 2HB LEU 18 -8.842 -0.933 10.040
131 2HB LEU 18 1HB LEU 18 -10.137 -0.165 9.145
132 HG LEU 18 HG LEU 18 -9.986 -2.657 7.974
133 1HD1 LEU 18 1HD1 LEU 18 -10.274 -3.947 10.327
134 2HD1 LEU 18 2HD1 LEU 18 -8.997 -2.802 10.739
135 3HD1 LEU 18 3HD1 LEU 18 -8.779 -3.918 9.392
136 1HD2 LEU 18 1HD2 LEU 18 -12.008 -1.401 8.579
137 2HD2 LEU 18 2HD2 LEU 18 -11.739 -1.802 10.275
138 3HD2 LEU 18 3HD2 LEU 18 -12.090 -3.080 9.111
139 H GLY 19 H GLY 19 -6.451 -0.635 6.408
140 1HA GLY 19 2HA GLY 19 -5.461 -3.245 7.176
141 2HA GLY 19 1HA GLY 19 -4.818 -2.218 5.907
142 H ASP 20 H ASP 20 -2.796 -3.099 6.904
143 HA ASP 20 HA ASP 20 -1.949 -2.265 9.462
144 1HB ASP 20 2HB ASP 20 -0.054 -2.825 7.200
145 2HB ASP 20 1HB ASP 20 0.137 -3.169 8.913
146 H LEU 21 H LEU 21 0.227 -0.994 9.574
147 HA LEU 21 HA LEU 21 -0.321 1.638 8.461
148 1HB LEU 21 2HB LEU 21 1.666 2.157 10.104
149 2HB LEU 21 1HB LEU 21 0.026 1.947 10.686
150 HG LEU 21 HG LEU 21 0.556 -0.382 11.281
151 1HD1 LEU 21 1HD1 LEU 21 3.306 0.378 10.350
152 2HD1 LEU 21 2HD1 LEU 21 2.281 -0.918 9.736
153 3HD1 LEU 21 3HD1 LEU 21 2.967 -1.027 11.358
154 1HD2 LEU 21 1HD2 LEU 21 1.947 1.955 12.454
155 2HD2 LEU 21 2HD2 LEU 21 2.428 0.356 13.020
156 3HD2 LEU 21 3HD2 LEU 21 0.749 0.875 13.166
157 H ILE 22 H ILE 22 0.397 0.832 6.341
158 HA ILE 22 HA ILE 22 3.196 0.286 5.951
159 HB ILE 22 HB ILE 22 1.853 -0.796 4.358
160 1HG1 ILE 22 2HG1 ILE 22 3.823 0.756 3.489
161 2HG1 ILE 22 1HG1 ILE 22 2.831 -0.195 2.399
162 1HG2 ILE 22 1HG2 ILE 22 0.288 0.613 2.880
163 2HG2 ILE 22 2HG2 ILE 22 0.413 1.811 4.167
164 3HG2 ILE 22 3HG2 ILE 22 -0.230 0.205 4.516
165 1HD1 ILE 22 1HD1 ILE 22 2.338 2.699 3.034
166 2HD1 ILE 22 2HD1 ILE 22 1.514 1.717 1.825
167 3HD1 ILE 22 3HD1 ILE 22 3.221 2.110 1.628
168 H CYS 23 H CYS 23 4.716 1.573 4.922
169 HA CYS 23 HA CYS 23 4.041 4.445 4.819
170 1HB CYS 23 2HB CYS 23 6.800 3.309 5.286
171 2HB CYS 23 1HB CYS 23 6.268 4.973 5.502
172 H ALA 24 H ALA 24 3.422 4.323 2.617
173 HA ALA 24 HA ALA 24 5.278 3.288 0.690
174 1HB ALA 24 1HB ALA 24 3.188 4.851 -0.494
175 2HB ALA 24 2HB ALA 24 2.548 3.725 0.699
176 3HB ALA 24 3HB ALA 24 3.526 3.127 -0.636
177 H VAL 25 H VAL 25 5.901 4.560 -1.210
178 HA VAL 25 HA VAL 25 6.314 7.394 -0.710
179 HB VAL 25 HB VAL 25 8.684 5.695 -1.429
180 1HG1 VAL 25 1HG1 VAL 25 8.171 8.486 -1.301
181 2HG1 VAL 25 2HG1 VAL 25 9.672 7.660 -1.719
182 3HG1 VAL 25 3HG1 VAL 25 9.336 8.079 -0.040
183 1HG2 VAL 25 1HG2 VAL 25 7.624 6.394 1.279
184 2HG2 VAL 25 2HG2 VAL 25 9.355 6.189 1.019
185 3HG2 VAL 25 3HG2 VAL 25 8.250 4.854 0.691
186 H ILE 26 H ILE 26 6.530 8.603 -2.477
187 HA ILE 26 HA ILE 26 6.332 7.252 -5.089
188 HB ILE 26 HB ILE 26 5.489 9.822 -5.551
189 1HG1 ILE 26 2HG1 ILE 26 5.423 10.122 -3.029
190 2HG1 ILE 26 1HG1 ILE 26 3.941 10.509 -3.892
191 1HG2 ILE 26 1HG2 ILE 26 4.581 7.559 -6.274
192 2HG2 ILE 26 2HG2 ILE 26 3.429 8.880 -6.089
193 3HG2 ILE 26 3HG2 ILE 26 3.563 7.645 -4.840
194 1HD1 ILE 26 1HD1 ILE 26 3.874 9.134 -1.683
195 2HD1 ILE 26 2HD1 ILE 26 4.283 7.784 -2.741
196 3HD1 ILE 26 3HD1 ILE 26 2.812 8.714 -3.026
197 H GLY 27 H GLY 27 8.599 7.216 -5.312
198 1HA GLY 27 2HA GLY 27 10.544 7.989 -6.265
199 2HA GLY 27 1HA GLY 27 9.697 9.489 -6.621
200 H ASP 28 H ASP 28 9.111 10.624 -4.374
201 HA ASP 28 HA ASP 28 11.267 10.490 -2.462
202 1HB ASP 28 2HB ASP 28 11.941 12.836 -2.729
203 2HB ASP 28 1HB ASP 28 12.243 11.918 -4.201
204 H ALA 29 H ALA 29 8.254 10.309 -2.686
205 HA ALA 29 HA ALA 29 7.681 12.222 -0.513
206 1HB ALA 29 1HB ALA 29 5.232 11.870 -1.678
207 2HB ALA 29 2HB ALA 29 6.310 11.909 -3.073
208 3HB ALA 29 3HB ALA 29 6.295 13.254 -1.933
209 H LYS 30 H LYS 30 7.723 10.872 1.196
210 HA LYS 30 HA LYS 30 6.436 8.272 1.033
211 1HB LYS 30 2HB LYS 30 8.591 8.367 2.126
212 2HB LYS 30 1HB LYS 30 8.019 9.608 3.232
213 1HG LYS 30 2HG LYS 30 6.334 7.894 4.049
214 2HG LYS 30 1HG LYS 30 7.274 6.701 3.151
215 1HD LYS 30 2HD LYS 30 8.464 8.539 5.220
216 2HD LYS 30 1HD LYS 30 7.860 6.922 5.589
217 1HE LYS 30 2HE LYS 30 9.459 6.371 3.490
218 2HE LYS 30 1HE LYS 30 10.304 7.763 4.167
219 1HZ LYS 30 1HZ LYS 30 10.688 5.271 4.997
220 2HZ LYS 30 2HZ LYS 30 9.466 5.735 6.070
221 3HZ LYS 30 3HZ LYS 30 10.905 6.621 5.993
222 H GLU 31 H GLU 31 4.757 7.584 2.374
223 HA GLU 31 HA GLU 31 3.439 9.376 4.189
224 1HB GLU 31 2HB GLU 31 2.710 9.795 1.627
225 2HB GLU 31 1HB GLU 31 1.603 8.492 2.034
226 1HG GLU 31 2HG GLU 31 1.750 10.631 4.029
227 2HG GLU 31 1HG GLU 31 1.129 11.127 2.456
228 H GLU 32 H GLU 32 1.614 8.333 5.288
229 HA GLU 32 HA GLU 32 2.043 5.452 5.445
230 1HB GLU 32 2HB GLU 32 0.941 7.518 7.255
231 2HB GLU 32 1HB GLU 32 0.222 5.918 7.373
232 1HG GLU 32 2HG GLU 32 2.231 4.928 8.020
233 2HG GLU 32 1HG GLU 32 3.191 6.299 7.469
234 H HIS 33 H HIS 33 0.415 3.929 5.287
235 HA HIS 33 HA HIS 33 -2.214 4.818 4.386
236 1HB HIS 33 2HB HIS 33 -0.650 2.760 2.831
237 2HB HIS 33 1HB HIS 33 -2.235 3.415 2.439
238 HD1 HIS 33 1HD HIS 33 1.350 4.000 1.993
239 HD2 HIS 33 2HD HIS 33 -2.163 6.143 1.523
240 HE1 HIS 33 1HE HIS 33 1.945 5.935 0.513
241 HE2 HIS 33 2HE HIS 33 -0.167 7.303 0.360
242 H ARG 34 H ARG 34 -3.858 3.414 4.798
243 HA ARG 34 HA ARG 34 -3.292 1.338 6.745
244 1HB ARG 34 2HB ARG 34 -5.621 2.915 5.917
245 2HB ARG 34 1HB ARG 34 -5.983 1.253 6.352
246 1HG ARG 34 2HG ARG 34 -6.214 2.841 8.233
247 2HG ARG 34 1HG ARG 34 -5.049 1.552 8.538
248 1HD ARG 34 2HD ARG 34 -3.521 3.554 7.400
249 2HD ARG 34 1HD ARG 34 -4.661 4.433 8.417
250 HE ARG 34 HE ARG 34 -2.524 2.703 9.287
251 1HH1 ARG 34 1HH1 ARG 34 -5.556 4.199 10.158
252 2HH1 ARG 34 2HH1 ARG 34 -5.252 4.111 11.861
253 1HH2 ARG 34 1HH2 ARG 34 -2.127 2.582 11.525
254 2HH2 ARG 34 2HH2 ARG 34 -3.306 3.193 12.637
255 H ASN 35 H ASN 35 -5.483 1.453 3.930
256 HA ASN 35 HA ASN 35 -5.327 -1.404 3.621
257 1HB ASN 35 2HB ASN 35 -6.830 0.805 2.280
258 2HB ASN 35 1HB ASN 35 -6.660 -0.733 1.436
259 1HD2 ASN 35 1HD2 ASN 35 -8.793 -1.316 1.575
260 2HD2 ASN 35 2HD2 ASN 35 -9.570 -1.717 3.064
261 H MET 36 H MET 36 -3.011 -1.322 3.422
262 HA MET 36 HA MET 36 -1.475 -0.208 1.489
263 1HB MET 36 2HB MET 36 -0.079 -1.353 2.797
264 2HB MET 36 1HB MET 36 -1.350 -2.446 3.303
265 1HG MET 36 2HG MET 36 0.368 -3.764 2.357
266 2HG MET 36 1HG MET 36 -0.963 -3.753 1.210
267 1HE MET 36 1HE MET 36 1.788 -0.398 0.027
268 2HE MET 36 2HE MET 36 1.158 -0.612 1.656
269 3HE MET 36 3HE MET 36 0.048 -0.394 0.305
270 H CYS 37 H CYS 37 -3.780 -2.797 1.096
271 HA CYS 37 HA CYS 37 -2.827 -3.813 -1.356
272 1HB CYS 37 2HB CYS 37 -5.766 -3.744 -1.022
273 2HB CYS 37 1HB CYS 37 -4.716 -5.090 -1.420
274 H ALA 38 H ALA 38 -5.488 -1.549 -0.748
275 HA ALA 38 HA ALA 38 -5.905 -0.759 -3.394
276 1HB ALA 38 1HB ALA 38 -7.333 -0.267 -1.336
277 2HB ALA 38 2HB ALA 38 -7.185 1.015 -2.538
278 3HB ALA 38 3HB ALA 38 -6.240 1.088 -1.050
279 H LEU 39 H LEU 39 -3.292 -0.148 -1.303
280 HA LEU 39 HA LEU 39 -2.470 2.332 -2.415
281 1HB LEU 39 2HB LEU 39 -1.684 0.635 -0.272
282 2HB LEU 39 1HB LEU 39 -0.270 0.919 -1.263
283 HG LEU 39 HG LEU 39 -0.798 2.482 0.744
284 1HD1 LEU 39 1HD1 LEU 39 1.046 3.187 -0.314
285 2HD1 LEU 39 2HD1 LEU 39 -0.027 4.442 -0.928
286 3HD1 LEU 39 3HD1 LEU 39 0.326 3.023 -1.914
287 1HD2 LEU 39 1HD2 LEU 39 -2.467 3.964 0.597
288 2HD2 LEU 39 2HD2 LEU 39 -3.121 2.912 -0.653
289 3HD2 LEU 39 3HD2 LEU 39 -2.136 4.304 -1.099
290 H CYS 40 H CYS 40 -1.277 -1.006 -2.834
291 HA CYS 40 HA CYS 40 0.590 -0.159 -4.838
292 1HB CYS 40 2HB CYS 40 1.028 -2.184 -3.523
293 2HB CYS 40 1HB CYS 40 -0.387 -2.956 -4.236
294 H CYS 41 H CYS 41 -2.729 -1.110 -4.861
295 HA CYS 41 HA CYS 41 -2.750 -1.687 -7.684
296 1HB CYS 41 2HB CYS 41 -4.749 -2.584 -7.314
297 2HB CYS 41 1HB CYS 41 -4.330 -2.451 -5.621
298 H GLU 42 H GLU 42 -3.514 0.976 -5.572
299 HA GLU 42 HA GLU 42 -4.605 2.542 -7.790
300 1HB GLU 42 2HB GLU 42 -5.690 2.501 -5.528
301 2HB GLU 42 1HB GLU 42 -4.300 3.384 -4.912
302 1HG GLU 42 2HG GLU 42 -4.787 5.197 -6.511
303 2HG GLU 42 1HG GLU 42 -6.230 4.322 -7.022
304 H HIS 43 H HIS 43 -1.690 2.381 -5.868
305 HA HIS 43 HA HIS 43 -0.786 4.999 -6.664
306 1HB HIS 43 2HB HIS 43 0.247 2.825 -4.945
307 2HB HIS 43 1HB HIS 43 1.425 3.930 -5.625
308 HD1 HIS 43 1HD HIS 43 1.277 6.427 -4.895
309 HD2 HIS 43 2HD HIS 43 -1.433 3.915 -3.001
310 HE1 HIS 43 1HE HIS 43 0.350 7.763 -2.978
311 HE2 HIS 43 2HE HIS 43 -1.374 6.263 -1.919
312 HA PRO 44 HA PRO 44 1.672 4.532 -10.227
313 1HB PRO 44 2HB PRO 44 4.200 4.547 -8.639
314 2HB PRO 44 1HB PRO 44 3.739 5.534 -10.031
315 1HG PRO 44 2HG PRO 44 3.684 6.586 -7.606
316 2HG PRO 44 1HG PRO 44 2.374 6.930 -8.751
317 1HD PRO 44 2HD PRO 44 2.412 5.056 -6.415
318 2HD PRO 44 1HD PRO 44 1.107 6.122 -6.975
319 H GLY 45 H GLY 45 0.960 2.343 -10.543
320 1HA GLY 45 2HA GLY 45 1.218 0.050 -10.731
321 2HA GLY 45 1HA GLY 45 2.774 0.540 -11.378
322 H GLY 46 H GLY 46 1.831 1.010 -8.035
323 1HA GLY 46 2HA GLY 46 2.485 -0.094 -6.109
324 2HA GLY 46 1HA GLY 46 3.175 -1.361 -7.111
325 H PHE 47 H PHE 47 3.753 2.076 -6.360
326 HA PHE 47 HA PHE 47 6.460 2.115 -7.010
327 1HB PHE 47 2HB PHE 47 6.570 4.086 -5.421
328 2HB PHE 47 1HB PHE 47 5.376 4.195 -6.706
329 HD1 PHE 47 1HD PHE 47 4.244 1.902 -4.257
330 HD2 PHE 47 2HD PHE 47 4.669 6.051 -5.058
331 HE1 PHE 47 1HE PHE 47 2.488 2.395 -2.611
332 HE2 PHE 47 2HE PHE 47 2.914 6.554 -3.412
333 HZ PHE 47 HZ PHE 47 1.821 4.727 -2.197
334 H GLU 48 H GLU 48 6.455 3.085 -3.736
335 HA GLU 48 HA GLU 48 7.491 0.443 -2.916
336 1HB GLU 48 2HB GLU 48 9.412 1.510 -1.815
337 2HB GLU 48 1HB GLU 48 9.424 1.758 -3.556
338 1HG GLU 48 2HG GLU 48 8.355 4.007 -3.097
339 2HG GLU 48 1HG GLU 48 8.754 3.732 -1.401
340 H TYR 49 H TYR 49 7.495 0.004 -0.691
341 HA TYR 49 HA TYR 49 6.107 1.891 1.069
342 1HB TYR 49 2HB TYR 49 4.488 0.456 1.794
343 2HB TYR 49 1HB TYR 49 4.488 0.152 0.089
344 HD1 TYR 49 1HD TYR 49 3.312 -1.655 2.143
345 HD2 TYR 49 2HD TYR 49 7.209 -1.548 0.451
346 HE1 TYR 49 1HE TYR 49 3.578 -4.026 2.649
347 HE2 TYR 49 2HE TYR 49 7.489 -3.933 0.954
348 HH TYR 49 HH TYR 49 5.321 -5.655 2.984
349 H SER 50 H SER 50 6.004 0.994 3.282
350 HA SER 50 HA SER 50 8.208 -0.690 4.077
351 1HB SER 50 2HB SER 50 8.255 1.966 5.394
352 2HB SER 50 1HB SER 50 9.574 0.847 5.060
353 HG SER 50 HG SER 50 9.815 1.682 3.099
354 H ASN 51 H ASN 51 6.403 -1.851 4.815
355 HA ASN 51 HA ASN 51 4.429 -0.899 6.504
356 1HB ASN 51 2HB ASN 51 5.616 -3.646 6.294
357 2HB ASN 51 1HB ASN 51 4.243 -3.270 7.322
358 1HD2 ASN 51 1HD2 ASN 51 3.559 -5.077 5.708
359 2HD2 ASN 51 2HD2 ASN 51 2.700 -4.508 4.321
360 H GLY 52 H GLY 52 4.274 -0.431 8.509
361 1HA GLY 52 2HA GLY 52 4.964 -0.981 10.848
362 2HA GLY 52 1HA GLY 52 6.617 -0.873 10.262
363 HA PRO 53 HA PRO 53 5.142 3.288 11.917
364 1HB PRO 53 2HB PRO 53 6.838 3.496 14.012
365 2HB PRO 53 1HB PRO 53 5.268 2.692 14.138
366 1HG PRO 53 2HG PRO 53 7.988 1.491 13.779
367 2HG PRO 53 1HG PRO 53 6.671 0.975 14.849
368 1HD PRO 53 2HD PRO 53 7.186 -0.222 12.467
369 2HD PRO 53 1HD PRO 53 5.553 -0.113 13.154
370 H CYS 54 H CYS 54 6.000 4.477 10.269
371 HA CYS 54 HA CYS 54 8.857 5.121 10.481
372 1HB CYS 54 2HB CYS 54 7.985 5.318 7.733
373 2HB CYS 54 1HB CYS 54 9.347 4.434 8.406
374 H GLU 55 H GLU 55 6.100 6.120 8.448
375 HA GLU 55 HA GLU 55 6.820 8.820 8.337
376 1HB GLU 55 2HB GLU 55 5.099 7.479 6.927
377 2HB GLU 55 1HB GLU 55 3.959 7.918 8.190
378 1HG GLU 55 2HG GLU 55 3.938 9.418 6.211
379 2HG GLU 55 1HG GLU 55 4.228 10.237 7.744