Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
651653 | 7jnn RC | 30784 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H ALA 1 -11.552 -12.988 8.647
2 HA ALA 1 HA ALA 1 -11.282 -10.931 7.618
3 HB1 ALA 1 1HB ALA 1 -8.483 -11.517 8.582
4 HB2 ALA 1 2HB ALA 1 -9.801 -10.868 9.561
5 HB3 ALA 1 3HB ALA 1 -9.141 -9.922 8.229
6 H LYS 2 H LYS 2 -10.912 -10.018 5.720
7 HA LYS 2 HA LYS 2 -9.341 -11.570 3.842
8 HB2 LYS 2 2HB LYS 2 -10.900 -10.547 2.119
9 HB3 LYS 2 1HB LYS 2 -11.567 -11.783 3.170
10 HG2 LYS 2 2HG LYS 2 -12.521 -9.934 4.590
11 HG3 LYS 2 1HG LYS 2 -12.006 -8.804 3.335
12 HD2 LYS 2 2HD LYS 2 -13.862 -11.144 2.905
13 HD3 LYS 2 1HD LYS 2 -14.379 -9.476 3.136
14 HE2 LYS 2 2HE LYS 2 -13.259 -8.794 1.123
15 HE3 LYS 2 1HE LYS 2 -12.551 -10.394 0.927
16 HZ1 LYS 2 1HZ LYS 2 -14.624 -11.312 0.431
17 HZ2 LYS 2 2HZ LYS 2 -14.530 -9.848 -0.447
18 HZ3 LYS 2 3HZ LYS 2 -15.469 -9.938 0.942
19 H HIS 3 H HIS 3 -7.495 -10.651 3.597
20 HA HIS 3 HA HIS 3 -7.293 -7.726 3.378
21 HB2 HIS 3 2HB HIS 3 -5.068 -9.707 3.956
22 HB3 HIS 3 1HB HIS 3 -4.982 -7.955 4.062
23 HD1 HIS 3 1HD HIS 3 -5.468 -10.900 6.104
24 HD2 HIS 3 2HD HIS 3 -6.686 -6.928 6.235
25 HE1 HIS 3 1HE HIS 3 -6.183 -10.479 8.475
26 H CYS 4 H CYS 4 -7.381 -7.303 1.231
27 HA CYS 4 HA CYS 4 -6.195 -9.210 -0.629
28 HB2 CYS 4 2HB CYS 4 -7.796 -6.710 -1.213
29 HB3 CYS 4 1HB CYS 4 -7.352 -7.962 -2.368
30 H GLY 5 H GLY 5 -4.039 -8.926 -0.566
31 HA2 GLY 5 2HA GLY 5 -2.934 -6.249 -0.467
32 HA3 GLY 5 1HA GLY 5 -2.044 -7.755 -0.348
33 H LYS 6 H LYS 6 -2.321 -5.152 -2.099
34 HA LYS 6 HA LYS 6 -2.340 -5.926 -4.817
35 HB2 LYS 6 2HB LYS 6 -2.622 -3.622 -4.081
36 HB3 LYS 6 1HB LYS 6 -1.049 -3.650 -3.322
37 HG2 LYS 6 2HG LYS 6 -0.951 -2.325 -5.309
38 HG3 LYS 6 1HG LYS 6 0.000 -3.785 -5.559
39 HD2 LYS 6 2HD LYS 6 -1.806 -4.736 -6.892
40 HD3 LYS 6 1HD LYS 6 -2.812 -3.322 -6.565
41 HE2 LYS 6 2HE LYS 6 -0.172 -3.273 -8.029
42 HE3 LYS 6 1HE LYS 6 -1.758 -3.221 -8.793
43 HZ1 LYS 6 1HZ LYS 6 -2.181 -1.082 -7.678
44 HZ2 LYS 6 2HZ LYS 6 -0.792 -1.011 -8.586
45 HZ3 LYS 6 3HZ LYS 6 -0.670 -1.148 -6.932
46 H HIS 7 H HIS 7 -0.674 -6.615 -6.102
47 HA HIS 7 HA HIS 7 1.741 -7.562 -4.926
48 HB2 HIS 7 2HB HIS 7 0.816 -8.693 -6.901
49 HB3 HIS 7 1HB HIS 7 0.918 -7.199 -7.824
50 HD1 HIS 7 1HD HIS 7 2.723 -7.551 -9.535
51 HD2 HIS 7 2HD HIS 7 3.744 -9.102 -5.817
52 HE1 HIS 7 1HE HIS 7 5.078 -8.369 -9.756
53 H SER 8 H SER 8 3.230 -6.192 -4.248
54 HA SER 8 HA SER 8 3.267 -3.534 -5.144
55 HB2 SER 8 2HB SER 8 5.150 -4.979 -3.296
56 HB3 SER 8 1HB SER 8 5.052 -3.230 -3.524
57 HG SER 8 HG SER 8 3.430 -3.190 -2.258
58 H LYS 9 H LYS 9 3.630 -3.853 -7.311
59 HA LYS 9 HA LYS 9 6.489 -4.061 -7.940
60 HB2 LYS 9 2HB LYS 9 5.825 -4.279 -10.299
61 HB3 LYS 9 1HB LYS 9 5.132 -5.558 -9.317
62 HG2 LYS 9 2HG LYS 9 2.983 -4.408 -9.349
63 HG3 LYS 9 1HG LYS 9 3.693 -3.099 -10.292
64 HD2 LYS 9 2HD LYS 9 3.681 -5.964 -11.236
65 HD3 LYS 9 1HD LYS 9 2.352 -4.866 -11.571
66 HE2 LYS 9 2HE LYS 9 3.773 -4.911 -13.511
67 HE3 LYS 9 1HE LYS 9 3.999 -3.360 -12.731
68 HZ1 LYS 9 1HZ LYS 9 6.154 -4.100 -11.906
69 HZ2 LYS 9 2HZ LYS 9 6.070 -4.402 -13.528
70 HZ3 LYS 9 3HZ LYS 9 5.881 -5.664 -12.455
71 H SER 10 H SER 10 4.451 -1.946 -6.905
72 HA SER 10 HA SER 10 5.070 0.258 -8.628
73 HB2 SER 10 2HB SER 10 3.771 1.452 -6.765
74 HB3 SER 10 1HB SER 10 2.868 0.251 -7.692
75 HG SER 10 HG SER 10 4.117 -0.111 -5.186
76 H TRP 11 H TRP 11 7.170 0.851 -8.456
77 HA TRP 11 HA TRP 11 8.605 0.348 -6.051
78 HB2 TRP 11 2HB TRP 11 9.620 0.092 -8.339
79 HB3 TRP 11 1HB TRP 11 9.560 1.845 -8.501
80 HD1 TRP 11 HD TRP 11 11.306 -0.898 -6.482
81 HE1 TRP 11 1HE TRP 11 13.475 0.070 -5.458
82 HE3 TRP 11 3HE TRP 11 10.716 3.979 -7.854
83 HZ2 TRP 11 2HZ TRP 11 14.755 2.592 -5.292
84 HZ3 TRP 11 3HZ TRP 11 12.450 5.602 -7.233
85 HH2 TRP 11 HH TRP 11 14.421 4.921 -5.982
86 H ASN 12 H ASN 12 9.307 1.733 -4.610
87 HA ASN 12 HA ASN 12 8.782 4.577 -4.852
88 HB2 ASN 12 2HB ASN 12 6.816 3.600 -3.700
89 HB3 ASN 12 1HB ASN 12 7.881 2.795 -2.563
90 HD21 ASN 12 1HD2 ASN 12 7.015 3.778 -0.793
91 HD22 ASN 12 2HD2 ASN 12 7.195 5.462 -0.447
92 H GLY 13 H GLY 13 10.245 5.729 -3.395
93 HA2 GLY 13 2HA GLY 13 12.795 4.523 -3.330
94 HA3 GLY 13 1HA GLY 13 12.364 6.066 -2.612
95 H LYS 14 H LYS 14 11.203 5.918 -0.509
96 HA LYS 14 HA LYS 14 12.373 3.729 1.068
97 HB2 LYS 14 2HB LYS 14 13.192 6.089 1.508
98 HB3 LYS 14 1HB LYS 14 11.551 6.458 2.023
99 HG2 LYS 14 2HG LYS 14 12.723 6.059 3.995
100 HG3 LYS 14 1HG LYS 14 11.788 4.594 3.707
101 HD2 LYS 14 2HD LYS 14 13.950 3.878 4.366
102 HD3 LYS 14 1HD LYS 14 13.872 3.640 2.622
103 HE2 LYS 14 2HE LYS 14 16.002 4.627 3.250
104 HE3 LYS 14 1HE LYS 14 15.072 5.765 2.285
105 HZ1 LYS 14 1HZ LYS 14 15.257 5.806 5.256
106 HZ2 LYS 14 2HZ LYS 14 14.479 6.967 4.306
107 HZ3 LYS 14 3HZ LYS 14 16.145 6.777 4.217
108 H CYS 15 H CYS 15 10.977 2.601 2.361
109 HA CYS 15 HA CYS 15 8.162 3.092 1.927
110 HB2 CYS 15 2HB CYS 15 9.106 0.810 1.707
111 HB3 CYS 15 1HB CYS 15 9.542 0.862 3.407
112 H PHE 16 H PHE 16 6.878 4.042 3.345
113 HA PHE 16 HA PHE 16 7.472 3.930 6.198
114 HB2 PHE 16 2HB PHE 16 6.583 6.400 4.665
115 HB3 PHE 16 1HB PHE 16 6.575 6.264 6.415
116 HD1 PHE 16 1HD PHE 16 8.475 7.121 3.519
117 HD2 PHE 16 2HD PHE 16 8.802 5.900 7.584
118 HE1 PHE 16 1HE PHE 16 10.780 7.971 3.590
119 HE2 PHE 16 2HE PHE 16 11.107 6.744 7.655
120 HZ PHE 16 HZ PHE 16 12.097 7.781 5.665
121 H HIS 17 H HIS 17 5.701 3.254 7.262
122 HA HIS 17 HA HIS 17 3.502 2.160 6.017
123 HB2 HIS 17 2HB HIS 17 4.118 1.546 8.298
124 HB3 HIS 17 1HB HIS 17 3.703 3.156 8.866
125 HD1 HIS 17 1HD HIS 17 2.092 -0.085 7.787
126 HD2 HIS 17 2HD HIS 17 1.024 3.601 9.379
127 HE1 HIS 17 1HE HIS 17 -0.332 -0.297 8.491
128 H LYS 18 H LYS 18 3.539 5.310 7.684
129 HA LYS 18 HA LYS 18 0.839 5.911 7.217
130 HB2 LYS 18 2HB LYS 18 2.282 7.052 8.884
131 HB3 LYS 18 1HB LYS 18 3.126 7.854 7.571
132 HG2 LYS 18 2HG LYS 18 1.066 8.997 6.932
133 HG3 LYS 18 1HG LYS 18 0.203 8.184 8.239
134 HD2 LYS 18 2HD LYS 18 1.787 9.230 9.851
135 HD3 LYS 18 1HD LYS 18 2.499 10.125 8.514
136 HE2 LYS 18 2HE LYS 18 -0.370 10.283 9.430
137 HE3 LYS 18 1HE LYS 18 0.877 11.475 9.754
138 HZ1 LYS 18 1HZ LYS 18 -0.176 10.764 7.057
139 HZ2 LYS 18 2HZ LYS 18 1.013 11.932 7.377
140 HZ3 LYS 18 3HZ LYS 18 -0.550 12.120 7.966
141 H LYS 19 H LYS 19 3.725 6.799 5.397
142 HA LYS 19 HA LYS 19 2.275 8.309 3.472
143 HB2 LYS 19 2HB LYS 19 5.089 7.235 3.414
144 HB3 LYS 19 1HB LYS 19 4.414 8.302 2.188
145 HG2 LYS 19 2HG LYS 19 4.022 10.017 3.863
146 HG3 LYS 19 1HG LYS 19 4.673 8.953 5.110
147 HD2 LYS 19 2HD LYS 19 6.833 8.967 4.044
148 HD3 LYS 19 1HD LYS 19 6.192 9.913 2.699
149 HE2 LYS 19 2HE LYS 19 7.414 11.342 4.237
150 HE3 LYS 19 1HE LYS 19 5.707 11.752 4.221
151 HZ1 LYS 19 1HZ LYS 19 6.677 11.728 6.437
152 HZ2 LYS 19 2HZ LYS 19 7.013 10.087 6.314
153 HZ3 LYS 19 3HZ LYS 19 5.415 10.626 6.317
154 H CYS 20 H CYS 20 3.263 4.981 3.684
155 HA CYS 20 HA CYS 20 2.664 4.217 1.038
156 HB2 CYS 20 2HB CYS 20 3.937 2.788 2.604
157 HB3 CYS 20 1HB CYS 20 2.513 2.629 3.620
158 H ASN 21 H ASN 21 0.812 4.354 4.036
159 HA ASN 21 HA ASN 21 -1.614 3.301 3.185
160 HB2 ASN 21 2HB ASN 21 -0.900 3.837 5.544
161 HB3 ASN 21 1HB ASN 21 -1.209 5.531 5.186
162 HD21 ASN 21 1HD2 ASN 21 -3.387 6.223 4.929
163 HD22 ASN 21 2HD2 ASN 21 -4.670 5.219 5.475
164 H HIS 22 H HIS 22 -0.545 6.653 3.410
165 HA HIS 22 HA HIS 22 -2.763 7.899 2.256
166 HB2 HIS 22 2HB HIS 22 0.118 8.728 2.431
167 HB3 HIS 22 1HB HIS 22 -1.052 9.715 1.575
168 HD1 HIS 22 1HD HIS 22 -2.268 11.387 2.975
169 HD2 HIS 22 2HD HIS 22 -0.584 8.345 5.239
170 HE1 HIS 22 1HE HIS 22 -2.595 12.059 5.383
171 H TRP 23 H TRP 23 0.269 6.892 0.667
172 HA TRP 23 HA TRP 23 -0.435 7.763 -1.882
173 HB2 TRP 23 2HB TRP 23 1.864 7.159 -1.335
174 HB3 TRP 23 1HB TRP 23 1.403 5.463 -1.168
175 HD1 TRP 23 HD TRP 23 1.265 4.034 -3.378
176 HE1 TRP 23 1HE TRP 23 1.732 4.520 -5.859
177 HE3 TRP 23 3HE TRP 23 1.763 9.110 -3.115
178 HZ2 TRP 23 2HZ TRP 23 2.251 6.796 -7.503
179 HZ3 TRP 23 3HZ TRP 23 2.250 10.361 -5.175
180 HH2 TRP 23 HH TRP 23 2.484 9.224 -7.313
181 H CYS 24 H CYS 24 -0.682 4.475 -0.540
182 HA CYS 24 HA CYS 24 -1.841 3.313 -2.769
183 HB2 CYS 24 2HB CYS 24 -2.001 2.629 0.149
184 HB3 CYS 24 1HB CYS 24 -2.723 1.605 -1.077
185 H MET 25 H MET 25 -3.408 4.941 -0.052
186 HA MET 25 HA MET 25 -6.066 4.365 -0.711
187 HB2 MET 25 2HB MET 25 -5.351 5.243 1.456
188 HB3 MET 25 1HB MET 25 -4.871 6.754 0.706
189 HG2 MET 25 2HG MET 25 -7.192 7.212 0.133
190 HG3 MET 25 1HG MET 25 -7.672 5.678 0.859
191 HE1 MET 25 1HE MET 25 -5.861 5.526 3.477
192 HE2 MET 25 2HE MET 25 -7.583 5.157 3.434
193 HE3 MET 25 3HE MET 25 -6.950 6.267 4.648
194 H GLU 26 H GLU 26 -3.995 7.084 -1.549
195 HA GLU 26 HA GLU 26 -5.925 8.560 -3.030
196 HB2 GLU 26 2HB GLU 26 -3.939 9.487 -1.897
197 HB3 GLU 26 1HB GLU 26 -2.914 8.642 -3.040
198 HG2 GLU 26 2HG GLU 26 -4.057 9.954 -4.844
199 HG3 GLU 26 1HG GLU 26 -4.773 10.929 -3.556
200 H LYS 27 H LYS 27 -3.369 6.315 -3.828
201 HA LYS 27 HA LYS 27 -3.272 6.654 -6.605
202 HB2 LYS 27 2HB LYS 27 -1.422 5.766 -5.336
203 HB3 LYS 27 1HB LYS 27 -2.377 4.394 -4.829
204 HG2 LYS 27 2HG LYS 27 -0.735 3.793 -6.511
205 HG3 LYS 27 1HG LYS 27 -2.366 3.523 -7.100
206 HD2 LYS 27 2HD LYS 27 -2.259 5.574 -8.397
207 HD3 LYS 27 1HD LYS 27 -0.665 5.936 -7.730
208 HE2 LYS 27 2HE LYS 27 -0.504 4.982 -9.982
209 HE3 LYS 27 1HE LYS 27 0.252 3.944 -8.777
210 HZ1 LYS 27 1HZ LYS 27 -1.050 2.696 -10.364
211 HZ2 LYS 27 2HZ LYS 27 -2.433 3.540 -9.991
212 HZ3 LYS 27 3HZ LYS 27 -1.737 2.505 -8.840
213 H GLU 28 H GLU 28 -4.805 4.007 -4.723
214 HA GLU 28 HA GLU 28 -6.446 3.434 -7.104
215 HB2 GLU 28 2HB GLU 28 -4.507 1.569 -5.805
216 HB3 GLU 28 1HB GLU 28 -5.903 0.930 -6.656
217 HG2 GLU 28 2HG GLU 28 -5.198 1.860 -8.700
218 HG3 GLU 28 1HG GLU 28 -4.004 2.880 -7.923
219 H ASP 29 H ASP 29 -6.946 4.501 -4.423
220 HA ASP 29 HA ASP 29 -8.343 4.357 -2.682
221 HB2 ASP 29 2HB ASP 29 -10.016 4.312 -4.575
222 HB3 ASP 29 1HB ASP 29 -10.030 2.558 -4.458
223 H ALA 30 H ALA 30 -6.414 3.039 -2.062
224 HA ALA 30 HA ALA 30 -7.162 0.334 -1.348
225 HB1 ALA 30 1HB ALA 30 -4.929 0.173 -0.376
226 HB2 ALA 30 2HB ALA 30 -4.682 1.893 -0.685
227 HB3 ALA 30 3HB ALA 30 -4.848 0.771 -2.039
228 H LYS 31 H LYS 31 -7.331 -0.294 0.738
229 HA LYS 31 HA LYS 31 -8.847 1.567 2.318
230 HB2 LYS 31 2HB LYS 31 -7.785 -1.144 3.083
231 HB3 LYS 31 1HB LYS 31 -9.054 -0.263 3.909
232 HG2 LYS 31 2HG LYS 31 -9.163 -1.520 1.175
233 HG3 LYS 31 1HG LYS 31 -9.988 -2.062 2.632
234 HD2 LYS 31 2HD LYS 31 -11.662 -1.014 1.682
235 HD3 LYS 31 1HD LYS 31 -11.000 0.382 2.518
236 HE2 LYS 31 2HE LYS 31 -9.679 0.951 0.428
237 HE3 LYS 31 1HE LYS 31 -10.547 -0.324 -0.404
238 HZ1 LYS 31 1HZ LYS 31 -11.517 1.813 -0.881
239 HZ2 LYS 31 2HZ LYS 31 -11.714 2.152 0.741
240 HZ3 LYS 31 3HZ LYS 31 -12.616 0.905 0.025
241 H TYR 32 H TYR 32 -5.724 0.070 2.468
242 HA TYR 32 HA TYR 32 -4.637 2.139 4.036
243 HB2 TYR 32 2HB TYR 32 -3.883 0.589 5.873
244 HB3 TYR 32 1HB TYR 32 -5.607 0.926 5.882
245 HD1 TYR 32 1HD TYR 32 -3.062 -1.615 5.705
246 HD2 TYR 32 2HD TYR 32 -7.190 -0.851 5.026
247 HE1 TYR 32 1HE TYR 32 -3.507 -4.014 5.720
248 HE2 TYR 32 2HE TYR 32 -7.671 -3.203 5.022
249 HH TYR 32 HH TYR 32 -6.411 -5.315 4.609
250 H GLY 33 H GLY 33 -2.317 1.591 4.434
251 HA2 GLY 33 2HA GLY 33 -1.275 -0.214 2.385
252 HA3 GLY 33 1HA GLY 33 -0.607 1.406 2.623
253 H SER 34 H SER 34 0.490 -1.359 3.047
254 HA SER 34 HA SER 34 1.381 -0.879 5.790
255 HB2 SER 34 2HB SER 34 -0.310 -2.715 5.760
256 HB3 SER 34 1HB SER 34 0.695 -3.583 4.604
257 HG SER 34 HG SER 34 1.263 -2.922 7.278
258 H CYS 35 H CYS 35 3.548 -1.474 6.153
259 HA CYS 35 HA CYS 35 5.069 -1.697 3.693
260 HB2 CYS 35 2HB CYS 35 5.554 0.091 5.526
261 HB3 CYS 35 1HB CYS 35 6.189 -1.282 6.442
262 H SER 36 H SER 36 5.705 -3.617 3.166
263 HA SER 36 HA SER 36 6.379 -5.521 5.253
264 HB2 SER 36 2HB SER 36 4.034 -5.961 4.430
265 HB3 SER 36 1HB SER 36 4.694 -6.180 2.813
266 HG SER 36 HG SER 36 5.394 -7.691 5.103
267 H HIS 37 H HIS 37 8.301 -6.348 4.839
268 HA HIS 37 HA HIS 37 10.270 -6.890 3.877
269 HB2 HIS 37 2HB HIS 37 8.806 -6.698 1.217
270 HB3 HIS 37 1HB HIS 37 10.415 -7.360 1.437
271 HD1 HIS 37 1HD HIS 37 10.501 -9.692 2.794
272 HD2 HIS 37 2HD HIS 37 6.760 -8.383 1.563
273 HE1 HIS 37 1HE HIS 37 8.979 -11.696 2.969
274 H GLY 38 H GLY 38 9.161 -4.011 4.125
275 HA2 GLY 38 2HA GLY 38 10.176 -1.968 3.842
276 HA3 GLY 38 1HA GLY 38 11.429 -2.752 2.882
277 H ASP 39 H ASP 39 8.251 -3.526 1.978
278 HA ASP 39 HA ASP 39 8.309 -1.553 -0.170
279 HB2 ASP 39 2HB ASP 39 7.426 -4.433 -0.249
280 HB3 ASP 39 1HB ASP 39 6.807 -3.269 -1.405
281 H CYS 40 H CYS 40 6.390 -0.743 -0.842
282 HA CYS 40 HA CYS 40 4.434 -0.439 1.247
283 HB2 CYS 40 2HB CYS 40 5.262 1.515 0.024
284 HB3 CYS 40 1HB CYS 40 4.711 0.819 -1.491
285 H TYR 41 H TYR 41 2.924 -1.970 1.382
286 HA TYR 41 HA TYR 41 1.860 -3.167 -1.060
287 HB2 TYR 41 2HB TYR 41 1.960 -4.100 1.792
288 HB3 TYR 41 1HB TYR 41 0.784 -4.769 0.673
289 HD1 TYR 41 1HD TYR 41 1.378 -6.495 -0.775
290 HD2 TYR 41 2HD TYR 41 4.458 -4.307 1.193
291 HE1 TYR 41 1HE TYR 41 3.026 -8.117 -1.562
292 HE2 TYR 41 2HE TYR 41 6.105 -5.928 0.419
293 HH TYR 41 HH TYR 41 5.390 -8.252 -1.974
294 H CYS 42 H CYS 42 0.024 -2.479 -1.738
295 HA CYS 42 HA CYS 42 -1.657 -0.824 -0.047
296 HB2 CYS 42 2HB CYS 42 -2.045 -1.618 -2.943
297 HB3 CYS 42 1HB CYS 42 -2.868 -0.326 -2.088
298 H TYR 43 H TYR 43 -3.542 -1.577 0.868
299 HA TYR 43 HA TYR 43 -4.343 -4.241 -0.006
300 HB2 TYR 43 2HB TYR 43 -4.535 -2.976 2.715
301 HB3 TYR 43 1HB TYR 43 -5.419 -4.435 2.280
302 HD1 TYR 43 1HD TYR 43 -1.976 -3.035 2.432
303 HD2 TYR 43 2HD TYR 43 -4.403 -6.517 2.449
304 HE1 TYR 43 1HE TYR 43 -0.022 -4.368 2.926
305 HE2 TYR 43 2HE TYR 43 -2.443 -7.889 2.963
306 HH TYR 43 HH TYR 43 -0.013 -7.765 2.700
307 H TYR 44 H TYR 44 -6.168 -4.556 -0.819
308 HA TYR 44 HA TYR 44 -8.129 -2.365 -0.874
309 HB2 TYR 44 2HB TYR 44 -7.894 -4.733 -2.743
310 HB3 TYR 44 1HB TYR 44 -8.917 -3.321 -2.953
311 HD1 TYR 44 1HD TYR 44 -6.041 -4.818 -4.068
312 HD2 TYR 44 2HD TYR 44 -7.472 -1.035 -2.807
313 HE1 TYR 44 1HE TYR 44 -4.245 -3.751 -5.298
314 HE2 TYR 44 2HE TYR 44 -5.697 0.076 -4.009
315 HH TYR 44 HH TYR 44 -3.461 -0.410 -4.954
316 H HIS 45 H HIS 45 -10.401 -3.475 -1.349
317 HA HIS 45 HA HIS 45 -10.653 -5.753 0.454
318 HB2 HIS 45 2HB HIS 45 -11.432 -3.586 1.508
319 HB3 HIS 45 1HB HIS 45 -12.641 -3.475 0.236
320 HD1 HIS 45 1HD HIS 45 -11.948 -5.094 3.493
321 HD2 HIS 45 2HD HIS 45 -14.671 -5.473 0.375
322 HE1 HIS 45 1HE HIS 45 -13.850 -6.492 4.389
323 H CYS 46 H CYS 46 -11.150 -7.356 -0.813
324 HA CYS 46 HA CYS 46 -12.214 -7.110 -3.390
325 HB2 CYS 46 2HB CYS 46 -11.976 -9.520 -1.597
326 HB3 CYS 46 1HB CYS 46 -12.246 -9.554 -3.338
Start of MODEL 2
1 H1 ALA 1 H ALA 1 -15.201 -10.452 6.733
2 HA ALA 1 HA ALA 1 -14.332 -9.728 4.324
3 HB1 ALA 1 1HB ALA 1 -13.074 -7.899 5.330
4 HB2 ALA 1 2HB ALA 1 -13.071 -8.742 6.879
5 HB3 ALA 1 3HB ALA 1 -14.591 -8.168 6.189
6 H LYS 2 H LYS 2 -12.430 -9.624 3.138
7 HA LYS 2 HA LYS 2 -10.094 -10.907 4.235
8 HB2 LYS 2 2HB LYS 2 -9.833 -12.338 2.183
9 HB3 LYS 2 1HB LYS 2 -11.132 -12.799 3.263
10 HG2 LYS 2 2HG LYS 2 -12.729 -11.652 1.719
11 HG3 LYS 2 1HG LYS 2 -11.382 -11.403 0.602
12 HD2 LYS 2 2HD LYS 2 -11.003 -13.816 0.512
13 HD3 LYS 2 1HD LYS 2 -12.320 -14.072 1.648
14 HE2 LYS 2 2HE LYS 2 -13.093 -14.551 -0.577
15 HE3 LYS 2 1HE LYS 2 -13.880 -13.091 0.004
16 HZ1 LYS 2 1HZ LYS 2 -12.493 -11.751 -1.379
17 HZ2 LYS 2 2HZ LYS 2 -13.059 -13.029 -2.320
18 HZ3 LYS 2 3HZ LYS 2 -11.488 -13.070 -1.736
19 H HIS 3 H HIS 3 -8.402 -9.775 3.857
20 HA HIS 3 HA HIS 3 -8.556 -7.574 2.000
21 HB2 HIS 3 2HB HIS 3 -6.486 -8.305 4.068
22 HB3 HIS 3 1HB HIS 3 -6.348 -6.922 2.991
23 HD1 HIS 3 1HD HIS 3 -7.579 -7.838 6.271
24 HD2 HIS 3 2HD HIS 3 -8.603 -5.068 3.345
25 HE1 HIS 3 1HE HIS 3 -8.914 -6.060 7.444
26 H CYS 4 H CYS 4 -7.293 -7.232 0.344
27 HA CYS 4 HA CYS 4 -5.541 -9.399 -0.551
28 HB2 CYS 4 2HB CYS 4 -7.318 -7.535 -2.127
29 HB3 CYS 4 1HB CYS 4 -6.174 -8.662 -2.855
30 H GLY 5 H GLY 5 -3.532 -8.723 -0.328
31 HA2 GLY 5 2HA GLY 5 -2.909 -5.912 -0.389
32 HA3 GLY 5 1HA GLY 5 -1.796 -7.231 -0.049
33 H LYS 6 H LYS 6 -2.572 -4.936 -2.191
34 HA LYS 6 HA LYS 6 -1.999 -6.352 -4.592
35 HB2 LYS 6 2HB LYS 6 -3.401 -4.384 -4.589
36 HB3 LYS 6 1HB LYS 6 -2.061 -3.440 -3.929
37 HG2 LYS 6 2HG LYS 6 -0.970 -3.352 -5.965
38 HG3 LYS 6 1HG LYS 6 -1.829 -4.762 -6.601
39 HD2 LYS 6 2HD LYS 6 -3.876 -3.517 -6.771
40 HD3 LYS 6 1HD LYS 6 -3.166 -2.140 -5.938
41 HE2 LYS 6 2HE LYS 6 -2.018 -3.154 -8.503
42 HE3 LYS 6 1HE LYS 6 -3.412 -2.078 -8.507
43 HZ1 LYS 6 1HZ LYS 6 -0.786 -1.464 -7.236
44 HZ2 LYS 6 2HZ LYS 6 -2.132 -0.463 -7.292
45 HZ3 LYS 6 3HZ LYS 6 -1.325 -0.835 -8.708
46 H HIS 7 H HIS 7 -0.182 -6.883 -5.251
47 HA HIS 7 HA HIS 7 2.048 -6.799 -3.620
48 HB2 HIS 7 2HB HIS 7 1.751 -7.653 -6.494
49 HB3 HIS 7 1HB HIS 7 3.153 -7.954 -5.480
50 HD1 HIS 7 1HD HIS 7 -0.281 -9.180 -6.182
51 HD2 HIS 7 2HD HIS 7 2.754 -9.907 -3.443
52 HE1 HIS 7 1HE HIS 7 -0.888 -11.344 -5.018
53 H SER 8 H SER 8 3.932 -5.781 -3.764
54 HA SER 8 HA SER 8 3.948 -3.211 -4.910
55 HB2 SER 8 2HB SER 8 5.090 -3.634 -2.824
56 HB3 SER 8 1HB SER 8 6.104 -4.858 -3.583
57 HG SER 8 HG SER 8 7.399 -3.223 -3.751
58 H LYS 9 H LYS 9 5.204 -2.464 -6.537
59 HA LYS 9 HA LYS 9 5.775 -4.294 -8.719
60 HB2 LYS 9 2HB LYS 9 6.216 -1.321 -8.496
61 HB3 LYS 9 1HB LYS 9 6.204 -2.261 -9.978
62 HG2 LYS 9 2HG LYS 9 3.830 -2.719 -9.687
63 HG3 LYS 9 1HG LYS 9 3.844 -1.846 -8.157
64 HD2 LYS 9 2HD LYS 9 4.415 -0.659 -10.884
65 HD3 LYS 9 1HD LYS 9 2.930 -0.471 -9.955
66 HE2 LYS 9 2HE LYS 9 4.250 0.646 -8.158
67 HE3 LYS 9 1HE LYS 9 5.676 0.522 -9.180
68 HZ1 LYS 9 1HZ LYS 9 4.545 1.911 -10.833
69 HZ2 LYS 9 2HZ LYS 9 4.708 2.678 -9.353
70 HZ3 LYS 9 3HZ LYS 9 3.214 2.055 -9.794
71 H SER 10 H SER 10 7.294 -3.091 -6.027
72 HA SER 10 HA SER 10 9.338 -2.933 -5.209
73 HB2 SER 10 2HB SER 10 10.232 -4.304 -7.761
74 HB3 SER 10 1HB SER 10 11.249 -4.050 -6.340
75 HG SER 10 HG SER 10 9.125 -5.812 -6.748
76 H TRP 11 H TRP 11 11.638 -1.945 -5.850
77 HA TRP 11 HA TRP 11 12.784 -0.151 -6.448
78 HB2 TRP 11 2HB TRP 11 10.988 -0.296 -8.849
79 HB3 TRP 11 1HB TRP 11 12.218 0.959 -8.689
80 HD1 TRP 11 HD TRP 11 11.833 -2.826 -9.174
81 HE1 TRP 11 1HE TRP 11 14.073 -3.769 -10.003
82 HE3 TRP 11 3HE TRP 11 14.685 1.382 -8.722
83 HZ2 TRP 11 2HZ TRP 11 16.720 -2.833 -10.422
84 HZ3 TRP 11 3HZ TRP 11 17.052 1.278 -9.362
85 HH2 TRP 11 HH TRP 11 18.045 -0.794 -10.193
86 H ASN 12 H ASN 12 10.229 0.061 -4.898
87 HA ASN 12 HA ASN 12 9.337 2.704 -5.419
88 HB2 ASN 12 2HB ASN 12 8.232 2.652 -3.147
89 HB3 ASN 12 1HB ASN 12 7.752 1.349 -4.203
90 HD21 ASN 12 1HD2 ASN 12 10.788 1.283 -2.302
91 HD22 ASN 12 2HD2 ASN 12 10.252 0.037 -1.232
92 H GLY 13 H GLY 13 9.966 4.606 -4.712
93 HA2 GLY 13 2HA GLY 13 12.668 5.024 -4.234
94 HA3 GLY 13 1HA GLY 13 11.417 6.214 -3.922
95 H LYS 14 H LYS 14 10.036 5.163 -1.887
96 HA LYS 14 HA LYS 14 11.805 4.062 0.083
97 HB2 LYS 14 2HB LYS 14 12.054 6.489 0.417
98 HB3 LYS 14 1HB LYS 14 10.299 6.639 0.546
99 HG2 LYS 14 2HG LYS 14 10.338 5.252 2.553
100 HG3 LYS 14 1HG LYS 14 12.088 5.106 2.412
101 HD2 LYS 14 2HD LYS 14 12.296 7.542 2.671
102 HD3 LYS 14 1HD LYS 14 10.542 7.667 2.826
103 HE2 LYS 14 2HE LYS 14 10.636 6.233 4.822
104 HE3 LYS 14 1HE LYS 14 12.390 6.162 4.673
105 HZ1 LYS 14 1HZ LYS 14 10.758 8.583 5.200
106 HZ2 LYS 14 2HZ LYS 14 12.409 8.594 4.910
107 HZ3 LYS 14 3HZ LYS 14 11.816 7.820 6.275
108 H CYS 15 H CYS 15 10.697 2.697 1.294
109 HA CYS 15 HA CYS 15 7.901 2.374 0.777
110 HB2 CYS 15 2HB CYS 15 9.345 0.403 1.019
111 HB3 CYS 15 1HB CYS 15 9.738 0.895 2.662
112 H PHE 16 H PHE 16 7.040 4.228 1.567
113 HA PHE 16 HA PHE 16 7.428 5.109 4.260
114 HB2 PHE 16 2HB PHE 16 5.367 5.856 2.186
115 HB3 PHE 16 1HB PHE 16 5.472 6.583 3.775
116 HD1 PHE 16 1HD PHE 16 7.191 8.170 4.289
117 HD2 PHE 16 2HD PHE 16 7.005 6.336 0.455
118 HE1 PHE 16 1HE PHE 16 8.687 9.892 3.397
119 HE2 PHE 16 2HE PHE 16 8.504 8.050 -0.438
120 HZ PHE 16 HZ PHE 16 9.349 9.840 1.038
121 H HIS 17 H HIS 17 5.924 4.965 5.920
122 HA HIS 17 HA HIS 17 4.102 2.731 5.664
123 HB2 HIS 17 2HB HIS 17 5.553 2.866 7.689
124 HB3 HIS 17 1HB HIS 17 4.783 4.384 8.122
125 HD1 HIS 17 1HD HIS 17 4.311 0.666 8.351
126 HD2 HIS 17 2HD HIS 17 2.106 4.132 9.058
127 HE1 HIS 17 1HE HIS 17 2.339 -0.028 9.725
128 H LYS 18 H LYS 18 3.760 5.934 7.228
129 HA LYS 18 HA LYS 18 0.941 5.817 6.901
130 HB2 LYS 18 2HB LYS 18 1.984 6.918 8.831
131 HB3 LYS 18 1HB LYS 18 2.660 8.146 7.768
132 HG2 LYS 18 2HG LYS 18 0.413 8.870 7.174
133 HG3 LYS 18 1HG LYS 18 -0.271 7.629 8.216
134 HD2 LYS 18 2HD LYS 18 0.830 8.669 10.148
135 HD3 LYS 18 1HD LYS 18 1.472 9.928 9.095
136 HE2 LYS 18 2HE LYS 18 -0.509 10.740 10.243
137 HE3 LYS 18 1HE LYS 18 -0.828 10.603 8.519
138 HZ1 LYS 18 1HZ LYS 18 -1.677 8.628 10.584
139 HZ2 LYS 18 2HZ LYS 18 -2.033 8.535 8.934
140 HZ3 LYS 18 3HZ LYS 18 -2.666 9.773 9.858
141 H LYS 19 H LYS 19 3.501 7.614 5.272
142 HA LYS 19 HA LYS 19 1.791 9.260 3.737
143 HB2 LYS 19 2HB LYS 19 4.585 8.324 3.072
144 HB3 LYS 19 1HB LYS 19 3.723 9.583 2.216
145 HG2 LYS 19 2HG LYS 19 4.423 9.701 5.139
146 HG3 LYS 19 1HG LYS 19 5.395 10.407 3.852
147 HD2 LYS 19 2HD LYS 19 2.532 11.143 4.498
148 HD3 LYS 19 1HD LYS 19 3.951 12.055 4.999
149 HE2 LYS 19 2HE LYS 19 4.531 12.347 2.578
150 HE3 LYS 19 1HE LYS 19 3.002 11.572 2.171
151 HZ1 LYS 19 1HZ LYS 19 1.854 13.349 3.390
152 HZ2 LYS 19 2HZ LYS 19 2.743 13.929 2.098
153 HZ3 LYS 19 3HZ LYS 19 3.337 14.107 3.673
154 H CYS 20 H CYS 20 3.213 6.097 3.008
155 HA CYS 20 HA CYS 20 2.077 5.991 0.386
156 HB2 CYS 20 2HB CYS 20 4.128 4.692 1.008
157 HB3 CYS 20 1HB CYS 20 3.145 3.691 2.069
158 H ASN 21 H ASN 21 1.145 4.911 3.587
159 HA ASN 21 HA ASN 21 -1.071 3.353 2.992
160 HB2 ASN 21 2HB ASN 21 -0.164 3.512 5.245
161 HB3 ASN 21 1HB ASN 21 -0.568 5.221 5.316
162 HD21 ASN 21 1HD2 ASN 21 -2.674 5.826 5.788
163 HD22 ASN 21 2HD2 ASN 21 -3.844 4.679 6.300
164 H HIS 22 H HIS 22 -0.912 6.839 3.659
165 HA HIS 22 HA HIS 22 -3.645 7.251 3.058
166 HB2 HIS 22 2HB HIS 22 -1.363 9.175 3.433
167 HB3 HIS 22 1HB HIS 22 -2.976 9.710 2.968
168 HD1 HIS 22 1HD HIS 22 -4.588 10.114 4.859
169 HD2 HIS 22 2HD HIS 22 -1.329 7.805 5.980
170 HE1 HIS 22 1HE HIS 22 -4.834 9.728 7.337
171 H TRP 23 H TRP 23 -0.743 7.365 1.146
172 HA TRP 23 HA TRP 23 -1.786 8.595 -1.143
173 HB2 TRP 23 2HB TRP 23 0.620 8.172 -0.917
174 HB3 TRP 23 1HB TRP 23 0.334 6.438 -0.899
175 HD1 TRP 23 HD TRP 23 0.102 5.217 -3.217
176 HE1 TRP 23 1HE TRP 23 0.398 5.962 -5.659
177 HE3 TRP 23 3HE TRP 23 0.254 10.271 -2.503
178 HZ2 TRP 23 2HZ TRP 23 0.665 8.375 -7.094
179 HZ3 TRP 23 3HZ TRP 23 0.532 11.729 -4.468
180 HH2 TRP 23 HH TRP 23 0.734 10.791 -6.712
181 H CYS 24 H CYS 24 -1.387 5.110 -0.495
182 HA CYS 24 HA CYS 24 -2.890 4.233 -2.666
183 HB2 CYS 24 2HB CYS 24 -2.138 3.000 -0.072
184 HB3 CYS 24 1HB CYS 24 -3.171 2.104 -1.160
185 H MET 25 H MET 25 -3.919 4.980 0.623
186 HA MET 25 HA MET 25 -6.494 3.923 0.446
187 HB2 MET 25 2HB MET 25 -5.406 4.484 2.573
188 HB3 MET 25 1HB MET 25 -5.502 6.190 2.170
189 HG2 MET 25 2HG MET 25 -7.900 6.150 2.315
190 HG3 MET 25 1HG MET 25 -7.889 4.400 2.501
191 HE1 MET 25 1HE MET 25 -6.922 7.826 4.168
192 HE2 MET 25 2HE MET 25 -5.395 6.940 4.206
193 HE3 MET 25 3HE MET 25 -6.248 7.287 5.705
194 H GLU 26 H GLU 26 -5.240 6.941 -0.719
195 HA GLU 26 HA GLU 26 -7.971 7.794 -1.309
196 HB2 GLU 26 2HB GLU 26 -6.624 9.407 -0.114
197 HB3 GLU 26 1HB GLU 26 -5.390 9.343 -1.362
198 HG2 GLU 26 2HG GLU 26 -6.940 10.312 -2.959
199 HG3 GLU 26 1HG GLU 26 -8.206 10.341 -1.735
200 H LYS 27 H LYS 27 -4.832 7.271 -2.869
201 HA LYS 27 HA LYS 27 -5.655 8.134 -5.430
202 HB2 LYS 27 2HB LYS 27 -3.287 8.026 -4.564
203 HB3 LYS 27 1HB LYS 27 -3.370 6.290 -4.764
204 HG2 LYS 27 2HG LYS 27 -2.206 7.243 -6.624
205 HG3 LYS 27 1HG LYS 27 -3.751 6.603 -7.183
206 HD2 LYS 27 2HD LYS 27 -3.270 8.780 -8.214
207 HD3 LYS 27 1HD LYS 27 -4.692 8.881 -7.184
208 HE2 LYS 27 2HE LYS 27 -3.358 9.903 -5.411
209 HE3 LYS 27 1HE LYS 27 -1.900 9.728 -6.384
210 HZ1 LYS 27 1HZ LYS 27 -4.251 11.384 -7.136
211 HZ2 LYS 27 2HZ LYS 27 -2.783 11.294 -7.963
212 HZ3 LYS 27 3HZ LYS 27 -2.842 11.981 -6.442
213 H GLU 28 H GLU 28 -5.360 4.872 -3.985
214 HA GLU 28 HA GLU 28 -6.780 3.872 -6.357
215 HB2 GLU 28 2HB GLU 28 -4.875 2.476 -4.487
216 HB3 GLU 28 1HB GLU 28 -5.831 1.650 -5.703
217 HG2 GLU 28 2HG GLU 28 -4.688 2.850 -7.461
218 HG3 GLU 28 1HG GLU 28 -3.790 3.786 -6.268
219 H ASP 29 H ASP 29 -7.282 4.814 -3.352
220 HA ASP 29 HA ASP 29 -8.787 4.530 -1.740
221 HB2 ASP 29 2HB ASP 29 -10.328 3.119 -3.921
222 HB3 ASP 29 1HB ASP 29 -10.990 3.402 -2.316
223 H ALA 30 H ALA 30 -6.744 2.993 -1.424
224 HA ALA 30 HA ALA 30 -7.488 0.273 -0.833
225 HB1 ALA 30 1HB ALA 30 -5.278 0.124 0.221
226 HB2 ALA 30 2HB ALA 30 -5.075 1.866 0.046
227 HB3 ALA 30 3HB ALA 30 -5.166 0.840 -1.387
228 H LYS 31 H LYS 31 -7.302 -0.563 1.400
229 HA LYS 31 HA LYS 31 -8.709 1.213 3.184
230 HB2 LYS 31 2HB LYS 31 -7.903 -1.688 3.471
231 HB3 LYS 31 1HB LYS 31 -8.793 -0.789 4.692
232 HG2 LYS 31 2HG LYS 31 -10.606 -0.413 3.063
233 HG3 LYS 31 1HG LYS 31 -9.716 -1.380 1.887
234 HD2 LYS 31 2HD LYS 31 -9.872 -3.327 3.297
235 HD3 LYS 31 1HD LYS 31 -10.608 -2.380 4.586
236 HE2 LYS 31 2HE LYS 31 -11.805 -2.895 1.865
237 HE3 LYS 31 1HE LYS 31 -12.271 -3.693 3.364
238 HZ1 LYS 31 1HZ LYS 31 -12.948 -1.511 4.228
239 HZ2 LYS 31 2HZ LYS 31 -13.795 -1.913 2.817
240 HZ3 LYS 31 3HZ LYS 31 -12.561 -0.807 2.750
241 H TYR 32 H TYR 32 -5.631 -0.509 3.009
242 HA TYR 32 HA TYR 32 -4.385 1.584 4.446
243 HB2 TYR 32 2HB TYR 32 -3.406 0.118 6.234
244 HB3 TYR 32 1HB TYR 32 -5.126 0.426 6.421
245 HD1 TYR 32 1HD TYR 32 -2.549 -2.103 5.708
246 HD2 TYR 32 2HD TYR 32 -6.717 -1.409 6.222
247 HE1 TYR 32 1HE TYR 32 -2.915 -4.507 5.951
248 HE2 TYR 32 2HE TYR 32 -7.095 -3.812 6.457
249 HH TYR 32 HH TYR 32 -6.034 -5.926 5.907
250 H GLY 33 H GLY 33 -2.197 1.581 4.292
251 HA2 GLY 33 2HA GLY 33 -1.047 -0.379 2.422
252 HA3 GLY 33 1HA GLY 33 -0.519 1.305 2.539
253 H SER 34 H SER 34 0.817 -1.394 3.044
254 HA SER 34 HA SER 34 1.880 -0.669 5.674
255 HB2 SER 34 2HB SER 34 1.213 -3.471 4.761
256 HB3 SER 34 1HB SER 34 1.866 -3.000 6.333
257 HG SER 34 HG SER 34 -0.283 -1.562 5.713
258 H CYS 35 H CYS 35 4.068 -1.358 6.005
259 HA CYS 35 HA CYS 35 5.539 -1.578 3.486
260 HB2 CYS 35 2HB CYS 35 6.041 0.251 5.255
261 HB3 CYS 35 1HB CYS 35 6.679 -1.084 6.220
262 H SER 36 H SER 36 6.024 -3.499 2.890
263 HA SER 36 HA SER 36 6.574 -5.494 4.949
264 HB2 SER 36 2HB SER 36 5.490 -5.934 2.170
265 HB3 SER 36 1HB SER 36 5.720 -7.132 3.436
266 HG SER 36 HG SER 36 3.595 -6.411 3.181
267 H HIS 37 H HIS 37 8.738 -5.549 5.015
268 HA HIS 37 HA HIS 37 10.828 -6.184 4.484
269 HB2 HIS 37 2HB HIS 37 9.655 -7.157 1.853
270 HB3 HIS 37 1HB HIS 37 11.222 -7.603 2.504
271 HD1 HIS 37 1HD HIS 37 11.230 -9.472 4.351
272 HD2 HIS 37 2HD HIS 37 7.439 -8.402 3.025
273 HE1 HIS 37 1HE HIS 37 9.655 -11.217 5.262
274 H GLY 38 H GLY 38 9.663 -3.511 3.572
275 HA2 GLY 38 2HA GLY 38 10.977 -1.676 2.816
276 HA3 GLY 38 1HA GLY 38 11.935 -2.798 1.856
277 H ASP 39 H ASP 39 8.758 -3.571 1.492
278 HA ASP 39 HA ASP 39 8.423 -1.871 -0.879
279 HB2 ASP 39 2HB ASP 39 7.829 -4.766 -0.423
280 HB3 ASP 39 1HB ASP 39 6.980 -3.862 -1.660
281 H CYS 40 H CYS 40 6.492 -0.895 -1.072
282 HA CYS 40 HA CYS 40 4.731 -1.077 1.226
283 HB2 CYS 40 2HB CYS 40 5.358 1.158 0.344
284 HB3 CYS 40 1HB CYS 40 4.552 0.772 -1.171
285 H TYR 41 H TYR 41 3.063 -2.320 1.308
286 HA TYR 41 HA TYR 41 1.784 -3.252 -1.166
287 HB2 TYR 41 2HB TYR 41 2.134 -4.594 1.517
288 HB3 TYR 41 1HB TYR 41 0.941 -5.138 0.349
289 HD1 TYR 41 1HD TYR 41 1.538 -6.663 -1.293
290 HD2 TYR 41 2HD TYR 41 4.634 -4.551 0.735
291 HE1 TYR 41 1HE TYR 41 3.224 -8.073 -2.373
292 HE2 TYR 41 2HE TYR 41 6.292 -5.957 -0.332
293 HH TYR 41 HH TYR 41 6.410 -8.212 -1.362
294 H CYS 42 H CYS 42 -0.203 -2.552 -1.456
295 HA CYS 42 HA CYS 42 -1.559 -1.360 0.823
296 HB2 CYS 42 2HB CYS 42 -1.905 -0.828 -2.129
297 HB3 CYS 42 1HB CYS 42 -2.720 0.034 -0.819
298 H TYR 43 H TYR 43 -3.428 -2.086 1.508
299 HA TYR 43 HA TYR 43 -4.349 -4.562 0.282
300 HB2 TYR 43 2HB TYR 43 -4.572 -3.516 3.102
301 HB3 TYR 43 1HB TYR 43 -5.365 -4.986 2.543
302 HD1 TYR 43 1HD TYR 43 -4.180 -7.029 2.514
303 HD2 TYR 43 2HD TYR 43 -2.009 -3.394 2.937
304 HE1 TYR 43 1HE TYR 43 -2.132 -8.299 2.941
305 HE2 TYR 43 2HE TYR 43 0.037 -4.655 3.363
306 HH TYR 43 HH TYR 43 0.711 -6.885 4.139
307 H TYR 44 H TYR 44 -6.216 -4.812 -0.519
308 HA TYR 44 HA TYR 44 -8.362 -2.811 -0.137
309 HB2 TYR 44 2HB TYR 44 -7.851 -4.544 -2.583
310 HB3 TYR 44 1HB TYR 44 -9.049 -3.266 -2.432
311 HD1 TYR 44 1HD TYR 44 -8.397 -0.937 -2.635
312 HD2 TYR 44 2HD TYR 44 -5.503 -4.031 -2.898
313 HE1 TYR 44 1HE TYR 44 -6.749 0.661 -3.501
314 HE2 TYR 44 2HE TYR 44 -3.865 -2.444 -3.747
315 HH TYR 44 HH TYR 44 -3.958 -0.147 -5.013
316 H HIS 45 H HIS 45 -10.546 -4.007 -0.688
317 HA HIS 45 HA HIS 45 -10.409 -6.692 0.477
318 HB2 HIS 45 2HB HIS 45 -11.885 -4.997 1.580
319 HB3 HIS 45 1HB HIS 45 -12.833 -4.916 0.096
320 HD1 HIS 45 1HD HIS 45 -14.280 -7.116 -0.485
321 HD2 HIS 45 2HD HIS 45 -12.324 -7.088 3.169
322 HE1 HIS 45 1HE HIS 45 -15.272 -9.026 0.823
323 H CYS 46 H CYS 46 -10.759 -8.382 -0.851
324 HA CYS 46 HA CYS 46 -11.835 -7.856 -3.483
325 HB2 CYS 46 2HB CYS 46 -10.766 -10.400 -2.284
326 HB3 CYS 46 1HB CYS 46 -11.312 -10.217 -3.945
Start of MODEL 3
1 H1 ALA 1 H ALA 1 -14.574 -10.676 6.513
2 HA ALA 1 HA ALA 1 -14.228 -8.411 4.848
3 HB1 ALA 1 1HB ALA 1 -14.459 -7.137 6.917
4 HB2 ALA 1 2HB ALA 1 -12.804 -7.044 6.310
5 HB3 ALA 1 3HB ALA 1 -13.193 -8.106 7.664
6 H LYS 2 H LYS 2 -12.616 -8.973 3.593
7 HA LYS 2 HA LYS 2 -10.441 -10.539 4.719
8 HB2 LYS 2 2HB LYS 2 -11.794 -12.146 3.520
9 HB3 LYS 2 1HB LYS 2 -11.919 -11.072 2.141
10 HG2 LYS 2 2HG LYS 2 -10.385 -12.944 1.726
11 HG3 LYS 2 1HG LYS 2 -9.579 -11.382 1.623
12 HD2 LYS 2 2HD LYS 2 -8.721 -11.721 3.924
13 HD3 LYS 2 1HD LYS 2 -9.458 -13.329 3.936
14 HE2 LYS 2 2HE LYS 2 -8.091 -13.998 2.048
15 HE3 LYS 2 1HE LYS 2 -7.420 -12.375 1.930
16 HZ1 LYS 2 1HZ LYS 2 -5.893 -13.855 2.999
17 HZ2 LYS 2 2HZ LYS 2 -7.008 -14.274 4.186
18 HZ3 LYS 2 3HZ LYS 2 -6.392 -12.702 4.110
19 H HIS 3 H HIS 3 -8.942 -9.074 4.735
20 HA HIS 3 HA HIS 3 -8.649 -7.308 2.490
21 HB2 HIS 3 2HB HIS 3 -7.135 -7.461 5.096
22 HB3 HIS 3 1HB HIS 3 -6.783 -6.301 3.816
23 HD1 HIS 3 1HD HIS 3 -8.565 -4.391 3.425
24 HD2 HIS 3 2HD HIS 3 -9.348 -6.910 6.631
25 HE1 HIS 3 1HE HIS 3 -10.365 -3.244 4.782
26 H CYS 4 H CYS 4 -6.997 -7.294 1.153
27 HA CYS 4 HA CYS 4 -5.465 -9.793 1.053
28 HB2 CYS 4 2HB CYS 4 -6.979 -8.386 -1.113
29 HB3 CYS 4 1HB CYS 4 -5.949 -9.777 -1.373
30 H GLY 5 H GLY 5 -3.363 -9.335 1.020
31 HA2 GLY 5 2HA GLY 5 -2.383 -6.739 0.232
32 HA3 GLY 5 1HA GLY 5 -1.435 -8.100 0.824
33 H LYS 6 H LYS 6 -1.997 -6.262 -1.797
34 HA LYS 6 HA LYS 6 -1.483 -8.476 -3.631
35 HB2 LYS 6 2HB LYS 6 -2.664 -5.757 -4.126
36 HB3 LYS 6 1HB LYS 6 -2.147 -6.835 -5.409
37 HG2 LYS 6 2HG LYS 6 -3.793 -8.476 -4.720
38 HG3 LYS 6 1HG LYS 6 -4.283 -7.437 -3.376
39 HD2 LYS 6 2HD LYS 6 -4.967 -5.702 -4.933
40 HD3 LYS 6 1HD LYS 6 -4.410 -6.679 -6.289
41 HE2 LYS 6 2HE LYS 6 -6.559 -7.518 -4.369
42 HE3 LYS 6 1HE LYS 6 -6.872 -6.715 -5.905
43 HZ1 LYS 6 1HZ LYS 6 -5.758 -8.569 -7.018
44 HZ2 LYS 6 2HZ LYS 6 -7.104 -9.063 -6.125
45 HZ3 LYS 6 3HZ LYS 6 -5.559 -9.360 -5.530
46 H HIS 7 H HIS 7 -0.163 -7.782 -5.518
47 HA HIS 7 HA HIS 7 2.317 -6.684 -4.650
48 HB2 HIS 7 2HB HIS 7 1.965 -8.451 -6.473
49 HB3 HIS 7 1HB HIS 7 1.378 -7.147 -7.494
50 HD1 HIS 7 1HD HIS 7 3.229 -5.337 -8.254
51 HD2 HIS 7 2HD HIS 7 4.652 -8.654 -6.195
52 HE1 HIS 7 1HE HIS 7 5.706 -5.426 -8.704
53 H SER 8 H SER 8 2.951 -4.583 -4.842
54 HA SER 8 HA SER 8 0.939 -2.654 -5.387
55 HB2 SER 8 2HB SER 8 3.873 -2.317 -4.752
56 HB3 SER 8 1HB SER 8 2.631 -1.074 -4.621
57 HG SER 8 HG SER 8 3.280 -2.355 -2.671
58 H LYS 9 H LYS 9 1.227 -0.892 -6.918
59 HA LYS 9 HA LYS 9 2.777 -1.706 -9.289
60 HB2 LYS 9 2HB LYS 9 0.112 -0.278 -9.198
61 HB3 LYS 9 1HB LYS 9 1.033 -0.583 -10.661
62 HG2 LYS 9 2HG LYS 9 0.796 -2.992 -10.330
63 HG3 LYS 9 1HG LYS 9 -0.091 -2.703 -8.832
64 HD2 LYS 9 2HD LYS 9 -1.825 -1.517 -10.105
65 HD3 LYS 9 1HD LYS 9 -0.927 -1.833 -11.591
66 HE2 LYS 9 2HE LYS 9 -2.049 -3.955 -9.758
67 HE3 LYS 9 1HE LYS 9 -2.818 -3.394 -11.236
68 HZ1 LYS 9 1HZ LYS 9 -0.893 -4.187 -12.485
69 HZ2 LYS 9 2HZ LYS 9 -1.606 -5.431 -11.620
70 HZ3 LYS 9 3HZ LYS 9 -0.170 -4.761 -11.074
71 H SER 10 H SER 10 2.269 0.580 -6.939
72 HA SER 10 HA SER 10 4.053 2.459 -8.242
73 HB2 SER 10 2HB SER 10 1.696 3.303 -8.416
74 HB3 SER 10 1HB SER 10 1.549 3.169 -6.667
75 HG SER 10 HG SER 10 3.484 4.804 -7.973
76 H TRP 11 H TRP 11 5.754 2.734 -6.904
77 HA TRP 11 HA TRP 11 5.452 1.862 -4.103
78 HB2 TRP 11 2HB TRP 11 7.924 1.632 -5.831
79 HB3 TRP 11 1HB TRP 11 7.713 1.008 -4.203
80 HD1 TRP 11 HD TRP 11 6.318 -1.270 -3.942
81 HE1 TRP 11 1HE TRP 11 5.673 -3.095 -5.639
82 HE3 TRP 11 3HE TRP 11 7.286 1.273 -8.272
83 HZ2 TRP 11 2HZ TRP 11 5.585 -3.400 -8.452
84 HZ3 TRP 11 3HZ TRP 11 6.900 0.139 -10.421
85 HH2 TRP 11 HH TRP 11 6.070 -2.152 -10.503
86 H ASN 12 H ASN 12 6.448 3.106 -2.574
87 HA ASN 12 HA ASN 12 7.374 5.740 -3.379
88 HB2 ASN 12 2HB ASN 12 5.888 5.404 -1.353
89 HB3 ASN 12 1HB ASN 12 7.201 4.516 -0.595
90 HD21 ASN 12 1HD2 ASN 12 6.030 7.659 -1.539
91 HD22 ASN 12 2HD2 ASN 12 7.217 8.557 -0.679
92 H GLY 13 H GLY 13 9.526 6.495 -2.546
93 HA2 GLY 13 2HA GLY 13 11.590 4.790 -3.432
94 HA3 GLY 13 1HA GLY 13 11.820 6.308 -2.578
95 H LYS 14 H LYS 14 10.229 5.187 -0.318
96 HA LYS 14 HA LYS 14 11.918 3.073 0.704
97 HB2 LYS 14 2HB LYS 14 13.024 5.135 1.462
98 HB3 LYS 14 1HB LYS 14 11.490 5.770 2.027
99 HG2 LYS 14 2HG LYS 14 11.393 4.058 3.742
100 HG3 LYS 14 1HG LYS 14 12.904 3.371 3.151
101 HD2 LYS 14 2HD LYS 14 14.072 5.444 3.694
102 HD3 LYS 14 1HD LYS 14 12.553 6.166 4.229
103 HE2 LYS 14 2HE LYS 14 12.360 4.517 5.989
104 HE3 LYS 14 1HE LYS 14 13.835 3.724 5.442
105 HZ1 LYS 14 1HZ LYS 14 13.664 6.507 6.464
106 HZ2 LYS 14 2HZ LYS 14 15.060 5.710 5.959
107 HZ3 LYS 14 3HZ LYS 14 14.243 5.170 7.324
108 H CYS 15 H CYS 15 10.698 2.001 2.534
109 HA CYS 15 HA CYS 15 7.932 2.432 2.037
110 HB2 CYS 15 2HB CYS 15 8.864 0.117 2.359
111 HB3 CYS 15 1HB CYS 15 9.066 0.513 4.066
112 H PHE 16 H PHE 16 7.869 4.516 2.724
113 HA PHE 16 HA PHE 16 7.806 4.997 5.552
114 HB2 PHE 16 2HB PHE 16 6.815 6.627 3.185
115 HB3 PHE 16 1HB PHE 16 6.695 7.175 4.847
116 HD1 PHE 16 1HD PHE 16 8.880 6.742 1.955
117 HD2 PHE 16 2HD PHE 16 8.722 7.811 6.072
118 HE1 PHE 16 1HE PHE 16 11.064 7.821 1.758
119 HE2 PHE 16 2HE PHE 16 10.922 8.882 5.876
120 HZ PHE 16 HZ PHE 16 12.097 8.892 3.721
121 H HIS 17 H HIS 17 6.266 3.813 6.535
122 HA HIS 17 HA HIS 17 4.210 2.568 5.177
123 HB2 HIS 17 2HB HIS 17 3.269 1.897 7.406
124 HB3 HIS 17 1HB HIS 17 4.965 1.525 7.176
125 HD1 HIS 17 1HD HIS 17 6.541 2.354 8.976
126 HD2 HIS 17 2HD HIS 17 2.777 4.097 9.195
127 HE1 HIS 17 1HE HIS 17 6.501 3.664 11.137
128 H LYS 18 H LYS 18 3.921 5.453 7.170
129 HA LYS 18 HA LYS 18 1.083 5.584 6.884
130 HB2 LYS 18 2HB LYS 18 2.330 6.523 8.810
131 HB3 LYS 18 1HB LYS 18 3.065 7.702 7.745
132 HG2 LYS 18 2HG LYS 18 0.898 8.725 7.348
133 HG3 LYS 18 1HG LYS 18 0.128 7.505 8.369
134 HD2 LYS 18 2HD LYS 18 1.493 8.245 10.272
135 HD3 LYS 18 1HD LYS 18 2.240 9.475 9.255
136 HE2 LYS 18 2HE LYS 18 -0.695 9.305 9.959
137 HE3 LYS 18 1HE LYS 18 0.475 10.381 10.701
138 HZ1 LYS 18 1HZ LYS 18 0.803 11.473 8.584
139 HZ2 LYS 18 2HZ LYS 18 -0.805 11.506 9.017
140 HZ3 LYS 18 3HZ LYS 18 -0.290 10.438 7.821
141 H LYS 19 H LYS 19 3.830 7.050 5.295
142 HA LYS 19 HA LYS 19 2.275 8.808 3.697
143 HB2 LYS 19 2HB LYS 19 4.534 9.430 4.100
144 HB3 LYS 19 1HB LYS 19 5.136 7.910 3.458
145 HG2 LYS 19 2HG LYS 19 4.497 8.523 1.223
146 HG3 LYS 19 1HG LYS 19 3.691 9.976 1.804
147 HD2 LYS 19 2HD LYS 19 6.644 9.431 2.094
148 HD3 LYS 19 1HD LYS 19 5.930 10.386 0.792
149 HE2 LYS 19 2HE LYS 19 5.774 11.008 3.750
150 HE3 LYS 19 1HE LYS 19 6.774 11.824 2.555
151 HZ1 LYS 19 1HZ LYS 19 4.737 13.072 3.005
152 HZ2 LYS 19 2HZ LYS 19 3.796 11.778 2.522
153 HZ3 LYS 19 3HZ LYS 19 4.781 12.548 1.408
154 H CYS 20 H CYS 20 3.839 5.692 2.990
155 HA CYS 20 HA CYS 20 2.947 5.707 0.306
156 HB2 CYS 20 2HB CYS 20 4.926 4.396 1.123
157 HB3 CYS 20 1HB CYS 20 3.812 3.308 1.939
158 H ASN 21 H ASN 21 1.596 4.663 3.349
159 HA ASN 21 HA ASN 21 -0.526 3.085 2.580
160 HB2 ASN 21 2HB ASN 21 0.025 3.617 4.925
161 HB3 ASN 21 1HB ASN 21 -0.503 5.273 4.672
162 HD21 ASN 21 1HD2 ASN 21 -2.739 5.722 4.614
163 HD22 ASN 21 2HD2 ASN 21 -3.881 4.539 5.089
164 H HIS 22 H HIS 22 -0.521 6.617 2.981
165 HA HIS 22 HA HIS 22 -3.093 6.829 1.798
166 HB2 HIS 22 2HB HIS 22 -1.135 8.952 2.660
167 HB3 HIS 22 1HB HIS 22 -2.703 9.325 1.947
168 HD1 HIS 22 1HD HIS 22 -4.822 8.770 3.391
169 HD2 HIS 22 2HD HIS 22 -1.186 8.060 5.265
170 HE1 HIS 22 1HE HIS 22 -5.365 8.375 5.815
171 H TRP 23 H TRP 23 0.143 7.137 0.611
172 HA TRP 23 HA TRP 23 -0.357 8.332 -1.859
173 HB2 TRP 23 2HB TRP 23 1.944 7.882 -1.103
174 HB3 TRP 23 1HB TRP 23 1.633 6.150 -1.175
175 HD1 TRP 23 HD TRP 23 1.891 4.949 -3.514
176 HE1 TRP 23 1HE TRP 23 2.706 5.719 -5.836
177 HE3 TRP 23 3HE TRP 23 2.002 9.998 -2.707
178 HZ2 TRP 23 2HZ TRP 23 3.330 8.135 -7.136
179 HZ3 TRP 23 3HZ TRP 23 2.725 11.459 -4.545
180 HH2 TRP 23 HH TRP 23 3.376 10.545 -6.709
181 H CYS 24 H CYS 24 -0.234 4.862 -1.057
182 HA CYS 24 HA CYS 24 -1.177 4.088 -3.611
183 HB2 CYS 24 2HB CYS 24 0.197 2.634 -1.971
184 HB3 CYS 24 1HB CYS 24 -1.309 2.414 -1.121
185 H MET 25 H MET 25 -2.704 4.849 -0.574
186 HA MET 25 HA MET 25 -5.231 3.731 -0.993
187 HB2 MET 25 2HB MET 25 -4.406 4.632 1.169
188 HB3 MET 25 1HB MET 25 -4.524 6.249 0.498
189 HG2 MET 25 2HG MET 25 -6.917 6.022 0.287
190 HG3 MET 25 1HG MET 25 -6.829 4.370 0.893
191 HE1 MET 25 1HE MET 25 -8.741 6.564 2.091
192 HE2 MET 25 2HE MET 25 -8.541 6.243 3.816
193 HE3 MET 25 3HE MET 25 -8.631 4.903 2.672
194 H GLU 26 H GLU 26 -3.865 6.833 -1.984
195 HA GLU 26 HA GLU 26 -6.382 7.580 -3.189
196 HB2 GLU 26 2HB GLU 26 -4.788 9.244 -2.140
197 HB3 GLU 26 1HB GLU 26 -3.721 8.966 -3.512
198 HG2 GLU 26 2HG GLU 26 -5.014 10.951 -3.903
199 HG3 GLU 26 1HG GLU 26 -5.530 9.691 -5.024
200 H LYS 27 H LYS 27 -3.194 6.551 -4.185
201 HA LYS 27 HA LYS 27 -3.302 6.813 -6.933
202 HB2 LYS 27 2HB LYS 27 -1.358 6.198 -5.427
203 HB3 LYS 27 1HB LYS 27 -2.005 4.572 -5.408
204 HG2 LYS 27 2HG LYS 27 -0.231 4.605 -6.962
205 HG3 LYS 27 1HG LYS 27 -1.728 4.530 -7.892
206 HD2 LYS 27 2HD LYS 27 -1.597 6.880 -8.385
207 HD3 LYS 27 1HD LYS 27 -0.198 7.069 -7.323
208 HE2 LYS 27 2HE LYS 27 1.070 5.535 -8.767
209 HE3 LYS 27 1HE LYS 27 -0.334 5.404 -9.821
210 HZ1 LYS 27 1HZ LYS 27 -0.141 7.734 -10.338
211 HZ2 LYS 27 2HZ LYS 27 1.318 6.962 -10.650
212 HZ3 LYS 27 3HZ LYS 27 1.158 7.916 -9.278
213 H GLU 28 H GLU 28 -3.980 3.857 -5.029
214 HA GLU 28 HA GLU 28 -5.348 2.725 -7.387
215 HB2 GLU 28 2HB GLU 28 -3.618 1.400 -5.325
216 HB3 GLU 28 1HB GLU 28 -4.548 0.541 -6.541
217 HG2 GLU 28 2HG GLU 28 -2.349 2.520 -7.104
218 HG3 GLU 28 1HG GLU 28 -2.180 0.765 -7.137
219 H ASP 29 H ASP 29 -6.221 4.063 -4.665
220 HA ASP 29 HA ASP 29 -7.824 3.873 -3.066
221 HB2 ASP 29 2HB ASP 29 -9.317 3.540 -5.081
222 HB3 ASP 29 1HB ASP 29 -9.105 1.803 -4.913
223 H ALA 30 H ALA 30 -5.518 2.370 -2.762
224 HA ALA 30 HA ALA 30 -6.051 -0.232 -1.785
225 HB1 ALA 30 1HB ALA 30 -3.848 1.671 -0.983
226 HB2 ALA 30 2HB ALA 30 -3.773 0.509 -2.306
227 HB3 ALA 30 3HB ALA 30 -3.895 -0.058 -0.640
228 H LYS 31 H LYS 31 -6.495 -0.911 0.265
229 HA LYS 31 HA LYS 31 -8.114 0.864 1.829
230 HB2 LYS 31 2HB LYS 31 -6.996 -1.862 2.476
231 HB3 LYS 31 1HB LYS 31 -8.266 -1.041 3.358
232 HG2 LYS 31 2HG LYS 31 -8.548 -1.790 0.467
233 HG3 LYS 31 1HG LYS 31 -8.934 -2.913 1.767
234 HD2 LYS 31 2HD LYS 31 -10.954 -2.039 1.382
235 HD3 LYS 31 1HD LYS 31 -10.405 -0.970 2.618
236 HE2 LYS 31 2HE LYS 31 -11.467 0.393 0.874
237 HE3 LYS 31 1HE LYS 31 -9.757 0.767 0.947
238 HZ1 LYS 31 1HZ LYS 31 -9.436 -0.592 -1.065
239 HZ2 LYS 31 2HZ LYS 31 -10.573 0.592 -1.348
240 HZ3 LYS 31 3HZ LYS 31 -11.067 -0.980 -1.060
241 H TYR 32 H TYR 32 -4.958 -0.610 2.078
242 HA TYR 32 HA TYR 32 -3.930 1.572 3.481
243 HB2 TYR 32 2HB TYR 32 -3.279 0.309 5.551
244 HB3 TYR 32 1HB TYR 32 -4.993 0.656 5.431
245 HD1 TYR 32 1HD TYR 32 -2.480 -1.877 5.835
246 HD2 TYR 32 2HD TYR 32 -6.561 -1.268 4.757
247 HE1 TYR 32 1HE TYR 32 -2.948 -4.226 6.290
248 HE2 TYR 32 2HE TYR 32 -7.057 -3.581 5.182
249 HH TYR 32 HH TYR 32 -5.840 -5.776 5.398
250 H GLY 33 H GLY 33 -1.838 1.707 3.113
251 HA2 GLY 33 2HA GLY 33 -0.497 -0.569 1.850
252 HA3 GLY 33 1HA GLY 33 0.075 1.109 1.832
253 H SER 34 H SER 34 1.152 -1.592 2.840
254 HA SER 34 HA SER 34 2.042 -0.523 5.404
255 HB2 SER 34 2HB SER 34 1.006 -3.337 5.005
256 HB3 SER 34 1HB SER 34 1.653 -2.665 6.505
257 HG SER 34 HG SER 34 -0.230 -1.083 5.458
258 H CYS 35 H CYS 35 4.020 -1.469 6.140
259 HA CYS 35 HA CYS 35 5.742 -2.161 3.957
260 HB2 CYS 35 2HB CYS 35 6.279 -1.732 6.888
261 HB3 CYS 35 1HB CYS 35 7.522 -2.018 5.668
262 H SER 36 H SER 36 6.067 -4.027 3.320
263 HA SER 36 HA SER 36 6.223 -6.203 5.224
264 HB2 SER 36 2HB SER 36 4.861 -6.298 2.508
265 HB3 SER 36 1HB SER 36 5.074 -7.655 3.617
266 HG SER 36 HG SER 36 3.979 -6.211 5.161
267 H HIS 37 H HIS 37 8.200 -6.958 5.119
268 HA HIS 37 HA HIS 37 10.248 -7.675 4.431
269 HB2 HIS 37 2HB HIS 37 9.395 -7.151 1.562
270 HB3 HIS 37 1HB HIS 37 10.796 -8.066 2.074
271 HD1 HIS 37 1HD HIS 37 8.265 -8.956 0.260
272 HD2 HIS 37 2HD HIS 37 9.118 -10.064 4.168
273 HE1 HIS 37 1HE HIS 37 7.105 -11.164 0.612
274 H GLY 38 H GLY 38 9.198 -4.707 4.419
275 HA2 GLY 38 2HA GLY 38 10.542 -2.736 4.548
276 HA3 GLY 38 1HA GLY 38 11.741 -3.529 3.526
277 H ASP 39 H ASP 39 8.966 -4.329 2.136
278 HA ASP 39 HA ASP 39 9.071 -2.055 0.313
279 HB2 ASP 39 2HB ASP 39 8.035 -4.854 -0.028
280 HB3 ASP 39 1HB ASP 39 7.677 -3.574 -1.177
281 H CYS 40 H CYS 40 7.131 -1.247 -0.481
282 HA CYS 40 HA CYS 40 5.089 -1.154 1.564
283 HB2 CYS 40 2HB CYS 40 5.901 0.956 0.608
284 HB3 CYS 40 1HB CYS 40 5.453 0.404 -1.002
285 H TYR 41 H TYR 41 3.516 -2.564 1.427
286 HA TYR 41 HA TYR 41 2.691 -3.464 -1.221
287 HB2 TYR 41 2HB TYR 41 2.755 -4.894 1.403
288 HB3 TYR 41 1HB TYR 41 1.590 -5.367 0.175
289 HD1 TYR 41 1HD TYR 41 5.222 -5.070 0.903
290 HD2 TYR 41 2HD TYR 41 2.236 -6.640 -1.699
291 HE1 TYR 41 1HE TYR 41 6.890 -6.506 -0.148
292 HE2 TYR 41 2HE TYR 41 3.906 -8.068 -2.762
293 HH TYR 41 HH TYR 41 6.296 -8.193 -3.058
294 H CYS 42 H CYS 42 0.738 -3.184 -1.825
295 HA CYS 42 HA CYS 42 -0.950 -1.565 -0.139
296 HB2 CYS 42 2HB CYS 42 -1.189 -2.360 -3.032
297 HB3 CYS 42 1HB CYS 42 -2.249 -1.229 -2.195
298 H TYR 43 H TYR 43 -2.462 -2.422 1.057
299 HA TYR 43 HA TYR 43 -3.453 -5.063 0.402
300 HB2 TYR 43 2HB TYR 43 -3.533 -3.444 2.962
301 HB3 TYR 43 1HB TYR 43 -4.373 -4.979 2.759
302 HD1 TYR 43 1HD TYR 43 -3.273 -6.936 3.368
303 HD2 TYR 43 2HD TYR 43 -0.945 -3.510 2.419
304 HE1 TYR 43 1HE TYR 43 -1.236 -8.164 3.937
305 HE2 TYR 43 2HE TYR 43 1.084 -4.699 2.981
306 HH TYR 43 HH TYR 43 1.891 -6.673 4.177
307 H TYR 44 H TYR 44 -5.358 -5.364 -0.317
308 HA TYR 44 HA TYR 44 -7.218 -3.097 -0.404
309 HB2 TYR 44 2HB TYR 44 -6.875 -5.399 -2.355
310 HB3 TYR 44 1HB TYR 44 -8.072 -4.122 -2.503
311 HD1 TYR 44 1HD TYR 44 -7.423 -1.904 -3.297
312 HD2 TYR 44 2HD TYR 44 -4.516 -4.960 -2.786
313 HE1 TYR 44 1HE TYR 44 -5.813 -0.581 -4.577
314 HE2 TYR 44 2HE TYR 44 -2.898 -3.649 -4.060
315 HH TYR 44 HH TYR 44 -3.285 -0.418 -4.741
316 H HIS 45 H HIS 45 -9.506 -4.403 -1.020
317 HA HIS 45 HA HIS 45 -9.749 -6.510 0.988
318 HB2 HIS 45 2HB HIS 45 -10.908 -4.365 1.552
319 HB3 HIS 45 1HB HIS 45 -11.839 -4.516 0.068
320 HD1 HIS 45 1HD HIS 45 -13.853 -6.118 0.120
321 HD2 HIS 45 2HD HIS 45 -11.520 -6.159 3.525
322 HE1 HIS 45 1HE HIS 45 -15.164 -7.454 1.789
323 H CYS 46 H CYS 46 -10.532 -8.419 0.216
324 HA CYS 46 HA CYS 46 -11.304 -8.526 -2.560
325 HB2 CYS 46 2HB CYS 46 -10.876 -10.692 -0.488
326 HB3 CYS 46 1HB CYS 46 -11.388 -11.014 -2.140
Start of MODEL 4
1 H1 ALA 1 H ALA 1 -12.456 -7.922 9.724
2 HA ALA 1 HA ALA 1 -13.253 -7.559 7.481
3 HB1 ALA 1 1HB ALA 1 -12.175 -5.503 6.803
4 HB2 ALA 1 2HB ALA 1 -10.787 -5.857 7.829
5 HB3 ALA 1 3HB ALA 1 -12.355 -5.516 8.559
6 H LYS 2 H LYS 2 -12.666 -7.378 5.169
7 HA LYS 2 HA LYS 2 -10.902 -9.585 4.582
8 HB2 LYS 2 2HB LYS 2 -13.180 -9.577 3.672
9 HB3 LYS 2 1HB LYS 2 -12.836 -8.082 2.822
10 HG2 LYS 2 2HG LYS 2 -11.200 -9.203 1.441
11 HG3 LYS 2 1HG LYS 2 -11.446 -10.704 2.341
12 HD2 LYS 2 2HD LYS 2 -13.777 -10.757 1.632
13 HD3 LYS 2 1HD LYS 2 -13.548 -9.244 0.761
14 HE2 LYS 2 2HE LYS 2 -13.469 -11.151 -0.747
15 HE3 LYS 2 1HE LYS 2 -11.926 -10.310 -0.699
16 HZ1 LYS 2 1HZ LYS 2 -11.096 -12.042 0.808
17 HZ2 LYS 2 2HZ LYS 2 -11.599 -12.650 -0.672
18 HZ3 LYS 2 3HZ LYS 2 -12.570 -12.869 0.687
19 H HIS 3 H HIS 3 -8.883 -9.123 4.281
20 HA HIS 3 HA HIS 3 -8.145 -6.755 2.714
21 HB2 HIS 3 2HB HIS 3 -6.637 -7.924 5.061
22 HB3 HIS 3 1HB HIS 3 -6.088 -6.583 4.064
23 HD1 HIS 3 1HD HIS 3 -7.349 -7.010 7.268
24 HD2 HIS 3 2HD HIS 3 -8.468 -4.568 4.103
25 HE1 HIS 3 1HE HIS 3 -8.580 -5.072 8.288
26 H CYS 4 H CYS 4 -6.520 -6.983 1.297
27 HA CYS 4 HA CYS 4 -5.320 -9.617 0.810
28 HB2 CYS 4 2HB CYS 4 -7.241 -9.451 -0.630
29 HB3 CYS 4 1HB CYS 4 -6.810 -7.818 -1.075
30 H GLY 5 H GLY 5 -3.156 -9.286 0.675
31 HA2 GLY 5 2HA GLY 5 -2.189 -6.581 0.164
32 HA3 GLY 5 1HA GLY 5 -1.238 -7.929 0.772
33 H LYS 6 H LYS 6 -1.894 -6.051 -1.879
34 HA LYS 6 HA LYS 6 -0.900 -8.091 -3.738
35 HB2 LYS 6 2HB LYS 6 -2.321 -5.482 -4.256
36 HB3 LYS 6 1HB LYS 6 -1.626 -6.489 -5.514
37 HG2 LYS 6 2HG LYS 6 -3.159 -8.313 -4.843
38 HG3 LYS 6 1HG LYS 6 -3.878 -7.230 -3.654
39 HD2 LYS 6 2HD LYS 6 -5.254 -7.267 -5.664
40 HD3 LYS 6 1HD LYS 6 -4.519 -5.692 -5.456
41 HE2 LYS 6 2HE LYS 6 -4.440 -6.429 -7.808
42 HE3 LYS 6 1HE LYS 6 -2.840 -6.180 -7.128
43 HZ1 LYS 6 1HZ LYS 6 -2.583 -8.560 -6.894
44 HZ2 LYS 6 2HZ LYS 6 -2.982 -8.178 -8.475
45 HZ3 LYS 6 3HZ LYS 6 -4.152 -8.828 -7.465
46 H HIS 7 H HIS 7 0.789 -7.507 -5.160
47 HA HIS 7 HA HIS 7 2.804 -5.912 -3.926
48 HB2 HIS 7 2HB HIS 7 3.368 -7.932 -5.272
49 HB3 HIS 7 1HB HIS 7 2.738 -7.137 -6.708
50 HD1 HIS 7 1HD HIS 7 5.679 -6.955 -4.292
51 HD2 HIS 7 2HD HIS 7 4.482 -5.434 -7.977
52 HE1 HIS 7 1HE HIS 7 7.684 -5.811 -5.247
53 H SER 8 H SER 8 3.191 -3.812 -4.221
54 HA SER 8 HA SER 8 1.289 -2.269 -5.573
55 HB2 SER 8 2HB SER 8 2.988 -0.462 -4.835
56 HB3 SER 8 1HB SER 8 2.110 -1.370 -3.599
57 HG SER 8 HG SER 8 4.078 -1.586 -2.920
58 H LYS 9 H LYS 9 1.291 -1.941 -7.725
59 HA LYS 9 HA LYS 9 3.724 -2.279 -9.194
60 HB2 LYS 9 2HB LYS 9 2.448 -1.855 -11.217
61 HB3 LYS 9 1HB LYS 9 1.595 -2.998 -10.202
62 HG2 LYS 9 2HG LYS 9 0.049 -1.242 -9.508
63 HG3 LYS 9 1HG LYS 9 0.940 -0.071 -10.490
64 HD2 LYS 9 2HD LYS 9 0.499 -1.479 -12.478
65 HD3 LYS 9 1HD LYS 9 -0.495 -2.529 -11.480
66 HE2 LYS 9 2HE LYS 9 -0.975 0.399 -11.957
67 HE3 LYS 9 1HE LYS 9 -1.802 -0.901 -12.805
68 HZ1 LYS 9 1HZ LYS 9 -3.178 -0.076 -11.066
69 HZ2 LYS 9 2HZ LYS 9 -2.003 -0.261 -9.893
70 HZ3 LYS 9 3HZ LYS 9 -2.690 -1.619 -10.624
71 H SER 10 H SER 10 2.253 0.236 -7.581
72 HA SER 10 HA SER 10 3.552 2.373 -8.990
73 HB2 SER 10 2HB SER 10 1.460 2.687 -7.602
74 HB3 SER 10 1HB SER 10 2.391 2.256 -6.174
75 HG SER 10 HG SER 10 3.276 4.352 -7.811
76 H TRP 11 H TRP 11 5.562 3.214 -8.387
77 HA TRP 11 HA TRP 11 7.190 1.363 -6.933
78 HB2 TRP 11 2HB TRP 11 7.937 3.903 -8.393
79 HB3 TRP 11 1HB TRP 11 9.103 2.860 -7.588
80 HD1 TRP 11 HD TRP 11 9.392 0.339 -8.652
81 HE1 TRP 11 1HE TRP 11 9.113 -0.476 -11.088
82 HE3 TRP 11 3HE TRP 11 6.700 4.254 -10.542
83 HZ2 TRP 11 2HZ TRP 11 7.916 0.420 -13.476
84 HZ3 TRP 11 3HZ TRP 11 6.038 4.192 -12.908
85 HH2 TRP 11 HH TRP 11 6.637 2.315 -14.337
86 H ASN 12 H ASN 12 6.195 1.565 -5.000
87 HA ASN 12 HA ASN 12 7.064 3.860 -3.424
88 HB2 ASN 12 2HB ASN 12 4.615 3.810 -3.555
89 HB3 ASN 12 1HB ASN 12 4.596 2.125 -3.072
90 HD21 ASN 12 1HD2 ASN 12 6.645 4.582 -1.502
91 HD22 ASN 12 2HD2 ASN 12 5.790 4.506 -0.009
92 H GLY 13 H GLY 13 9.018 2.778 -3.268
93 HA2 GLY 13 2HA GLY 13 9.020 0.322 -1.691
94 HA3 GLY 13 1HA GLY 13 10.351 0.923 -2.669
95 H LYS 14 H LYS 14 9.299 3.617 -1.234
96 HA LYS 14 HA LYS 14 11.292 3.300 0.792
97 HB2 LYS 14 2HB LYS 14 11.026 5.438 -0.534
98 HB3 LYS 14 1HB LYS 14 9.541 5.705 0.386
99 HG2 LYS 14 2HG LYS 14 11.395 6.953 1.350
100 HG3 LYS 14 1HG LYS 14 10.801 5.722 2.455
101 HD2 LYS 14 2HD LYS 14 12.650 4.268 1.938
102 HD3 LYS 14 1HD LYS 14 13.207 5.353 0.663
103 HE2 LYS 14 2HE LYS 14 13.066 6.049 3.598
104 HE3 LYS 14 1HE LYS 14 14.520 5.503 2.772
105 HZ1 LYS 14 1HZ LYS 14 14.412 7.429 1.356
106 HZ2 LYS 14 2HZ LYS 14 14.433 7.916 2.971
107 HZ3 LYS 14 3HZ LYS 14 12.999 7.954 2.092
108 H CYS 15 H CYS 15 10.897 2.687 2.619
109 HA CYS 15 HA CYS 15 8.212 1.846 3.224
110 HB2 CYS 15 2HB CYS 15 9.764 0.132 3.324
111 HB3 CYS 15 1HB CYS 15 10.909 1.003 4.296
112 H PHE 16 H PHE 16 7.069 3.466 3.968
113 HA PHE 16 HA PHE 16 7.445 4.140 6.774
114 HB2 PHE 16 2HB PHE 16 6.931 6.207 4.601
115 HB3 PHE 16 1HB PHE 16 6.630 6.505 6.302
116 HD1 PHE 16 1HD PHE 16 8.609 6.493 7.873
117 HD2 PHE 16 2HD PHE 16 9.017 6.525 3.644
118 HE1 PHE 16 1HE PHE 16 10.903 7.336 8.107
119 HE2 PHE 16 2HE PHE 16 11.315 7.368 3.874
120 HZ PHE 16 HZ PHE 16 12.263 7.767 6.103
121 H HIS 17 H HIS 17 5.649 3.229 7.579
122 HA HIS 17 HA HIS 17 3.450 2.340 6.210
123 HB2 HIS 17 2HB HIS 17 3.996 1.661 8.517
124 HB3 HIS 17 1HB HIS 17 3.515 3.248 9.099
125 HD1 HIS 17 1HD HIS 17 1.054 3.502 9.740
126 HD2 HIS 17 2HD HIS 17 1.795 0.118 7.443
127 HE1 HIS 17 1HE HIS 17 -1.093 2.218 9.689
128 H LYS 18 H LYS 18 3.695 5.403 7.956
129 HA LYS 18 HA LYS 18 1.102 6.353 7.509
130 HB2 LYS 18 2HB LYS 18 2.621 7.355 9.142
131 HB3 LYS 18 1HB LYS 18 3.677 7.903 7.856
132 HG2 LYS 18 2HG LYS 18 2.369 9.742 8.752
133 HG3 LYS 18 1HG LYS 18 1.930 9.432 7.073
134 HD2 LYS 18 2HD LYS 18 -0.068 8.244 7.789
135 HD3 LYS 18 1HD LYS 18 0.386 8.450 9.480
136 HE2 LYS 18 2HE LYS 18 0.186 10.868 9.256
137 HE3 LYS 18 1HE LYS 18 -0.187 10.688 7.542
138 HZ1 LYS 18 1HZ LYS 18 -1.856 9.644 9.776
139 HZ2 LYS 18 2HZ LYS 18 -2.203 9.494 8.149
140 HZ3 LYS 18 3HZ LYS 18 -2.208 11.010 8.859
141 H LYS 19 H LYS 19 4.013 6.728 5.567
142 HA LYS 19 HA LYS 19 2.904 8.532 3.663
143 HB2 LYS 19 2HB LYS 19 5.317 8.367 4.005
144 HB3 LYS 19 1HB LYS 19 5.282 6.689 3.482
145 HG2 LYS 19 2HG LYS 19 4.571 7.404 1.240
146 HG3 LYS 19 1HG LYS 19 4.657 9.084 1.760
147 HD2 LYS 19 2HD LYS 19 6.982 7.151 1.726
148 HD3 LYS 19 1HD LYS 19 6.653 8.366 0.493
149 HE2 LYS 19 2HE LYS 19 7.252 8.911 3.408
150 HE3 LYS 19 1HE LYS 19 8.368 9.119 2.065
151 HZ1 LYS 19 1HZ LYS 19 6.942 10.832 1.161
152 HZ2 LYS 19 2HZ LYS 19 7.329 11.201 2.756
153 HZ3 LYS 19 3HZ LYS 19 5.814 10.599 2.388
154 H CYS 20 H CYS 20 3.649 5.091 3.587
155 HA CYS 20 HA CYS 20 2.804 4.593 0.977
156 HB2 CYS 20 2HB CYS 20 2.970 2.691 3.295
157 HB3 CYS 20 1HB CYS 20 2.965 2.301 1.573
158 H ASN 21 H ASN 21 1.108 4.408 4.063
159 HA ASN 21 HA ASN 21 -1.210 3.096 3.284
160 HB2 ASN 21 2HB ASN 21 -0.659 3.590 5.630
161 HB3 ASN 21 1HB ASN 21 -0.865 5.309 5.326
162 HD21 ASN 21 1HD2 ASN 21 -2.483 5.590 6.792
163 HD22 ASN 21 2HD2 ASN 21 -4.066 4.940 6.591
164 H HIS 22 H HIS 22 -0.652 6.570 3.579
165 HA HIS 22 HA HIS 22 -3.121 7.212 2.350
166 HB2 HIS 22 2HB HIS 22 -0.769 8.967 3.042
167 HB3 HIS 22 1HB HIS 22 -2.302 9.563 2.409
168 HD1 HIS 22 1HD HIS 22 -4.299 9.675 4.066
169 HD2 HIS 22 2HD HIS 22 -0.841 8.004 5.652
170 HE1 HIS 22 1HE HIS 22 -4.694 9.472 6.547
171 H TRP 23 H TRP 23 0.116 6.765 1.127
172 HA TRP 23 HA TRP 23 -0.285 8.036 -1.344
173 HB2 TRP 23 2HB TRP 23 1.987 7.413 -0.725
174 HB3 TRP 23 1HB TRP 23 1.544 5.706 -0.692
175 HD1 TRP 23 HD TRP 23 2.121 4.408 -2.852
176 HE1 TRP 23 1HE TRP 23 2.560 5.020 -5.339
177 HE3 TRP 23 3HE TRP 23 1.204 9.434 -2.645
178 HZ2 TRP 23 2HZ TRP 23 2.508 7.306 -6.958
179 HZ3 TRP 23 3HZ TRP 23 1.409 10.756 -4.707
180 HH2 TRP 23 HH TRP 23 2.048 9.712 -6.818
181 H CYS 24 H CYS 24 -0.502 4.563 -0.582
182 HA CYS 24 HA CYS 24 -1.492 4.037 -3.174
183 HB2 CYS 24 2HB CYS 24 -0.325 2.327 -1.625
184 HB3 CYS 24 1HB CYS 24 -1.868 2.220 -0.822
185 H MET 25 H MET 25 -3.051 4.755 -0.107
186 HA MET 25 HA MET 25 -5.662 3.946 -0.715
187 HB2 MET 25 2HB MET 25 -4.916 4.614 1.525
188 HB3 MET 25 1HB MET 25 -4.739 6.271 0.979
189 HG2 MET 25 2HG MET 25 -7.169 6.348 0.543
190 HG3 MET 25 1HG MET 25 -7.309 4.718 1.197
191 HE1 MET 25 1HE MET 25 -5.178 4.827 3.634
192 HE2 MET 25 2HE MET 25 -6.772 4.083 3.724
193 HE3 MET 25 3HE MET 25 -6.273 5.247 4.951
194 H GLU 26 H GLU 26 -3.922 6.905 -1.485
195 HA GLU 26 HA GLU 26 -6.288 8.071 -2.708
196 HB2 GLU 26 2HB GLU 26 -4.861 9.484 -1.326
197 HB3 GLU 26 1HB GLU 26 -3.485 9.116 -2.350
198 HG2 GLU 26 2HG GLU 26 -4.637 10.244 -4.229
199 HG3 GLU 26 1HG GLU 26 -5.936 10.683 -3.120
200 H LYS 27 H LYS 27 -3.192 6.692 -3.626
201 HA LYS 27 HA LYS 27 -3.292 7.522 -6.336
202 HB2 LYS 27 2HB LYS 27 -1.182 7.035 -5.187
203 HB3 LYS 27 1HB LYS 27 -1.648 5.361 -5.006
204 HG2 LYS 27 2HG LYS 27 -0.014 5.638 -6.784
205 HG3 LYS 27 1HG LYS 27 -1.550 5.072 -7.435
206 HD2 LYS 27 2HD LYS 27 -2.099 7.314 -8.157
207 HD3 LYS 27 1HD LYS 27 -0.608 7.927 -7.435
208 HE2 LYS 27 2HE LYS 27 0.713 6.626 -8.965
209 HE3 LYS 27 1HE LYS 27 -0.734 5.872 -9.631
210 HZ1 LYS 27 1HZ LYS 27 -1.442 7.999 -10.461
211 HZ2 LYS 27 2HZ LYS 27 0.116 7.671 -11.025
212 HZ3 LYS 27 3HZ LYS 27 -0.106 8.775 -9.780
213 H GLU 28 H GLU 28 -3.692 4.234 -4.925
214 HA GLU 28 HA GLU 28 -5.157 3.573 -7.375
215 HB2 GLU 28 2HB GLU 28 -3.226 1.928 -5.781
216 HB3 GLU 28 1HB GLU 28 -4.371 1.182 -6.891
217 HG2 GLU 28 2HG GLU 28 -3.463 2.397 -8.743
218 HG3 GLU 28 1HG GLU 28 -2.438 3.339 -7.674
219 H ASP 29 H ASP 29 -5.869 4.475 -4.609
220 HA ASP 29 HA ASP 29 -7.455 4.217 -3.077
221 HB2 ASP 29 2HB ASP 29 -8.903 3.126 -5.481
222 HB3 ASP 29 1HB ASP 29 -9.702 3.368 -3.931
223 H ALA 30 H ALA 30 -5.812 2.657 -2.317
224 HA ALA 30 HA ALA 30 -6.836 -0.037 -2.002
225 HB1 ALA 30 1HB ALA 30 -4.805 -0.415 -0.680
226 HB2 ALA 30 2HB ALA 30 -4.404 1.298 -0.806
227 HB3 ALA 30 3HB ALA 30 -4.423 0.288 -2.251
228 H LYS 31 H LYS 31 -6.998 -0.901 0.228
229 HA LYS 31 HA LYS 31 -8.680 0.792 1.793
230 HB2 LYS 31 2HB LYS 31 -7.555 -1.970 2.298
231 HB3 LYS 31 1HB LYS 31 -8.693 -1.166 3.366
232 HG2 LYS 31 2HG LYS 31 -10.320 -1.081 1.506
233 HG3 LYS 31 1HG LYS 31 -9.181 -1.994 0.513
234 HD2 LYS 31 2HD LYS 31 -9.310 -3.876 1.937
235 HD3 LYS 31 1HD LYS 31 -10.164 -2.969 3.176
236 HE2 LYS 31 2HE LYS 31 -12.003 -2.655 1.455
237 HE3 LYS 31 1HE LYS 31 -11.166 -3.874 0.500
238 HZ1 LYS 31 1HZ LYS 31 -12.919 -4.847 1.854
239 HZ2 LYS 31 2HZ LYS 31 -12.207 -4.249 3.250
240 HZ3 LYS 31 3HZ LYS 31 -11.421 -5.440 2.379
241 H TYR 32 H TYR 32 -5.429 -0.490 1.956
242 HA TYR 32 HA TYR 32 -4.475 1.780 3.255
243 HB2 TYR 32 2HB TYR 32 -3.580 0.737 5.308
244 HB3 TYR 32 1HB TYR 32 -5.335 0.741 5.317
245 HD1 TYR 32 1HD TYR 32 -2.300 -1.313 5.260
246 HD2 TYR 32 2HD TYR 32 -6.553 -1.405 5.180
247 HE1 TYR 32 1HE TYR 32 -2.252 -3.685 5.817
248 HE2 TYR 32 2HE TYR 32 -6.508 -3.786 5.738
249 HH TYR 32 HH TYR 32 -3.740 -5.356 6.852
250 H GLY 33 H GLY 33 -2.135 1.599 3.585
251 HA2 GLY 33 2HA GLY 33 -0.943 -0.473 1.882
252 HA3 GLY 33 1HA GLY 33 -0.390 1.207 1.881
253 H SER 34 H SER 34 0.854 -1.464 2.747
254 HA SER 34 HA SER 34 1.950 -0.342 5.187
255 HB2 SER 34 2HB SER 34 0.782 -3.128 5.057
256 HB3 SER 34 1HB SER 34 1.768 -2.511 6.384
257 HG SER 34 HG SER 34 -0.116 -0.729 5.936
258 H CYS 35 H CYS 35 3.962 -1.230 5.797
259 HA CYS 35 HA CYS 35 5.511 -1.834 3.461
260 HB2 CYS 35 2HB CYS 35 6.275 -0.110 4.982
261 HB3 CYS 35 1HB CYS 35 6.322 -1.273 6.301
262 H SER 36 H SER 36 6.019 -3.682 2.848
263 HA SER 36 HA SER 36 6.280 -5.903 4.721
264 HB2 SER 36 2HB SER 36 5.434 -5.994 1.812
265 HB3 SER 36 1HB SER 36 5.432 -7.328 2.967
266 HG SER 36 HG SER 36 3.973 -5.551 4.122
267 H HIS 37 H HIS 37 8.457 -6.229 4.897
268 HA HIS 37 HA HIS 37 10.600 -6.723 4.403
269 HB2 HIS 37 2HB HIS 37 9.605 -7.178 1.586
270 HB3 HIS 37 1HB HIS 37 11.159 -7.704 2.211
271 HD1 HIS 37 1HD HIS 37 11.100 -9.786 3.849
272 HD2 HIS 37 2HD HIS 37 7.450 -8.760 2.151
273 HE1 HIS 37 1HE HIS 37 9.565 -11.746 4.260
274 H GLY 38 H GLY 38 9.533 -3.914 3.906
275 HA2 GLY 38 2HA GLY 38 10.928 -2.025 3.655
276 HA3 GLY 38 1HA GLY 38 12.029 -2.999 2.688
277 H ASP 39 H ASP 39 8.802 -3.377 1.852
278 HA ASP 39 HA ASP 39 8.799 -1.200 -0.139
279 HB2 ASP 39 2HB ASP 39 7.981 -4.077 -0.587
280 HB3 ASP 39 1HB ASP 39 7.532 -2.778 -1.677
281 H CYS 40 H CYS 40 6.559 -0.541 -0.582
282 HA CYS 40 HA CYS 40 4.899 -1.449 1.625
283 HB2 CYS 40 2HB CYS 40 4.758 1.089 0.031
284 HB3 CYS 40 1HB CYS 40 3.623 0.571 1.286
285 H TYR 41 H TYR 41 3.342 -2.734 1.269
286 HA TYR 41 HA TYR 41 2.480 -3.158 -1.466
287 HB2 TYR 41 2HB TYR 41 2.344 -4.834 1.026
288 HB3 TYR 41 1HB TYR 41 1.303 -5.187 -0.349
289 HD1 TYR 41 1HD TYR 41 4.897 -4.155 -0.106
290 HD2 TYR 41 2HD TYR 41 2.102 -7.066 -1.436
291 HE1 TYR 41 1HE TYR 41 6.701 -5.388 -1.191
292 HE2 TYR 41 2HE TYR 41 3.914 -8.312 -2.521
293 HH TYR 41 HH TYR 41 7.208 -7.593 -1.946
294 H CYS 42 H CYS 42 0.311 -3.362 -1.972
295 HA CYS 42 HA CYS 42 -1.306 -1.449 -0.491
296 HB2 CYS 42 2HB CYS 42 -1.417 -2.436 -3.323
297 HB3 CYS 42 1HB CYS 42 -2.635 -1.396 -2.599
298 H TYR 43 H TYR 43 -2.984 -2.118 0.625
299 HA TYR 43 HA TYR 43 -3.816 -4.856 0.204
300 HB2 TYR 43 2HB TYR 43 -3.993 -3.073 2.635
301 HB3 TYR 43 1HB TYR 43 -4.739 -4.666 2.532
302 HD1 TYR 43 1HD TYR 43 -3.492 -6.580 3.067
303 HD2 TYR 43 2HD TYR 43 -1.421 -2.955 2.279
304 HE1 TYR 43 1HE TYR 43 -1.376 -7.638 3.737
305 HE2 TYR 43 2HE TYR 43 0.689 -4.004 2.943
306 HH TYR 43 HH TYR 43 1.467 -5.875 4.291
307 H TYR 44 H TYR 44 -5.586 -5.222 -0.694
308 HA TYR 44 HA TYR 44 -7.780 -3.214 -0.745
309 HB2 TYR 44 2HB TYR 44 -7.129 -5.226 -2.922
310 HB3 TYR 44 1HB TYR 44 -8.310 -3.939 -2.993
311 HD1 TYR 44 1HD TYR 44 -4.866 -4.891 -3.473
312 HD2 TYR 44 2HD TYR 44 -7.530 -1.588 -3.340
313 HE1 TYR 44 1HE TYR 44 -3.242 -3.551 -4.698
314 HE2 TYR 44 2HE TYR 44 -5.902 -0.216 -4.559
315 HH TYR 44 HH TYR 44 -3.399 -0.212 -4.943
316 H HIS 45 H HIS 45 -9.590 -4.982 -1.994
317 HA HIS 45 HA HIS 45 -9.549 -7.360 -0.287
318 HB2 HIS 45 2HB HIS 45 -11.994 -7.539 -0.616
319 HB3 HIS 45 1HB HIS 45 -11.573 -5.997 0.109
320 HD1 HIS 45 1HD HIS 45 -13.167 -7.500 -2.949
321 HD2 HIS 45 2HD HIS 45 -12.031 -3.755 -1.544
322 HE1 HIS 45 1HE HIS 45 -14.310 -5.838 -4.414
323 H CYS 46 H CYS 46 -9.625 -9.379 -1.270
324 HA CYS 46 HA CYS 46 -9.833 -9.438 -4.171
325 HB2 CYS 46 2HB CYS 46 -7.844 -10.886 -2.422
326 HB3 CYS 46 1HB CYS 46 -8.088 -11.185 -4.132
Start of MODEL 5
1 H1 ALA 1 H ALA 1 -13.849 -8.125 5.858
2 HA ALA 1 HA ALA 1 -14.054 -10.191 3.879
3 HB1 ALA 1 1HB ALA 1 -14.643 -7.857 3.421
4 HB2 ALA 1 2HB ALA 1 -13.375 -8.396 2.320
5 HB3 ALA 1 3HB ALA 1 -12.972 -7.370 3.691
6 H LYS 2 H LYS 2 -12.085 -10.255 2.167
7 HA LYS 2 HA LYS 2 -9.757 -10.804 3.826
8 HB2 LYS 2 2HB LYS 2 -9.011 -12.365 2.029
9 HB3 LYS 2 1HB LYS 2 -10.511 -12.847 2.795
10 HG2 LYS 2 2HG LYS 2 -11.752 -11.953 0.880
11 HG3 LYS 2 1HG LYS 2 -10.209 -11.518 0.124
12 HD2 LYS 2 2HD LYS 2 -9.554 -13.881 0.168
13 HD3 LYS 2 1HD LYS 2 -11.101 -14.287 0.894
14 HE2 LYS 2 2HE LYS 2 -12.273 -13.453 -1.083
15 HE3 LYS 2 1HE LYS 2 -10.733 -13.006 -1.813
16 HZ1 LYS 2 1HZ LYS 2 -11.578 -15.760 -1.113
17 HZ2 LYS 2 2HZ LYS 2 -10.099 -15.343 -1.755
18 HZ3 LYS 2 3HZ LYS 2 -11.498 -15.124 -2.670
19 H HIS 3 H HIS 3 -7.762 -10.124 3.216
20 HA HIS 3 HA HIS 3 -7.974 -7.690 1.675
21 HB2 HIS 3 2HB HIS 3 -5.806 -7.066 2.772
22 HB3 HIS 3 1HB HIS 3 -7.201 -7.181 3.835
23 HD1 HIS 3 1HD HIS 3 -6.919 -8.715 5.868
24 HD2 HIS 3 2HD HIS 3 -3.951 -9.250 3.008
25 HE1 HIS 3 1HE HIS 3 -5.198 -10.217 6.923
26 H CYS 4 H CYS 4 -7.122 -7.364 -0.105
27 HA CYS 4 HA CYS 4 -5.185 -9.235 -1.186
28 HB2 CYS 4 2HB CYS 4 -7.259 -7.448 -2.359
29 HB3 CYS 4 1HB CYS 4 -5.850 -7.748 -3.345
30 H GLY 5 H GLY 5 -3.179 -8.622 -0.792
31 HA2 GLY 5 2HA GLY 5 -2.556 -5.820 -0.359
32 HA3 GLY 5 1HA GLY 5 -1.472 -7.184 -0.126
33 H LYS 6 H LYS 6 -1.586 -4.523 -1.726
34 HA LYS 6 HA LYS 6 -1.061 -5.322 -4.401
35 HB2 LYS 6 2HB LYS 6 -1.836 -3.099 -3.745
36 HB3 LYS 6 1HB LYS 6 -0.257 -2.789 -3.016
37 HG2 LYS 6 2HG LYS 6 0.787 -3.049 -5.229
38 HG3 LYS 6 1HG LYS 6 -0.800 -3.330 -5.937
39 HD2 LYS 6 2HD LYS 6 -0.211 -1.044 -6.353
40 HD3 LYS 6 1HD LYS 6 -1.480 -1.065 -5.140
41 HE2 LYS 6 2HE LYS 6 0.180 -0.740 -3.369
42 HE3 LYS 6 1HE LYS 6 1.470 -0.761 -4.569
43 HZ1 LYS 6 1HZ LYS 6 0.532 1.234 -5.553
44 HZ2 LYS 6 2HZ LYS 6 0.846 1.495 -3.912
45 HZ3 LYS 6 3HZ LYS 6 -0.731 1.235 -4.445
46 H HIS 7 H HIS 7 0.607 -6.254 -5.016
47 HA HIS 7 HA HIS 7 2.898 -6.650 -3.380
48 HB2 HIS 7 2HB HIS 7 2.040 -7.624 -6.071
49 HB3 HIS 7 1HB HIS 7 3.662 -7.916 -5.470
50 HD1 HIS 7 1HD HIS 7 0.096 -9.033 -5.035
51 HD2 HIS 7 2HD HIS 7 3.812 -9.651 -3.271
52 HE1 HIS 7 1HE HIS 7 -0.163 -11.063 -3.583
53 H SER 8 H SER 8 5.011 -6.146 -3.912
54 HA SER 8 HA SER 8 5.222 -3.541 -5.088
55 HB2 SER 8 2HB SER 8 6.372 -4.141 -2.972
56 HB3 SER 8 1HB SER 8 7.354 -5.302 -3.854
57 HG SER 8 HG SER 8 8.361 -3.308 -3.477
58 H LYS 9 H LYS 9 4.693 -4.120 -7.201
59 HA LYS 9 HA LYS 9 6.773 -5.575 -8.663
60 HB2 LYS 9 2HB LYS 9 4.009 -4.748 -9.537
61 HB3 LYS 9 1HB LYS 9 5.182 -5.520 -10.589
62 HG2 LYS 9 2HG LYS 9 3.946 -6.711 -8.110
63 HG3 LYS 9 1HG LYS 9 3.578 -7.134 -9.782
64 HD2 LYS 9 2HD LYS 9 5.975 -7.802 -10.056
65 HD3 LYS 9 1HD LYS 9 6.186 -7.561 -8.322
66 HE2 LYS 9 2HE LYS 9 5.814 -9.903 -8.770
67 HE3 LYS 9 1HE LYS 9 4.421 -9.240 -7.914
68 HZ1 LYS 9 1HZ LYS 9 3.242 -9.094 -9.997
69 HZ2 LYS 9 2HZ LYS 9 3.785 -10.678 -9.774
70 HZ3 LYS 9 3HZ LYS 9 4.584 -9.654 -10.842
71 H SER 10 H SER 10 4.827 -2.634 -9.186
72 HA SER 10 HA SER 10 7.139 -1.552 -10.636
73 HB2 SER 10 2HB SER 10 4.204 -0.885 -10.894
74 HB3 SER 10 1HB SER 10 5.510 -0.191 -11.856
75 HG SER 10 HG SER 10 4.192 -2.185 -12.594
76 H TRP 11 H TRP 11 6.296 -1.417 -7.660
77 HA TRP 11 HA TRP 11 6.260 1.505 -7.478
78 HB2 TRP 11 2HB TRP 11 4.973 -0.456 -5.555
79 HB3 TRP 11 1HB TRP 11 5.004 1.295 -5.367
80 HD1 TRP 11 HD TRP 11 3.425 2.723 -6.983
81 HE1 TRP 11 1HE TRP 11 1.314 2.079 -8.366
82 HE3 TRP 11 3HE TRP 11 3.896 -2.342 -6.882
83 HZ2 TRP 11 2HZ TRP 11 0.061 -0.265 -9.280
84 HZ3 TRP 11 3HZ TRP 11 2.209 -3.720 -8.037
85 HH2 TRP 11 HH TRP 11 0.333 -2.687 -9.207
86 H ASN 12 H ASN 12 8.388 1.853 -7.239
87 HA ASN 12 HA ASN 12 9.683 0.468 -5.025
88 HB2 ASN 12 2HB ASN 12 11.838 0.780 -6.106
89 HB3 ASN 12 1HB ASN 12 10.754 -0.121 -7.150
90 HD21 ASN 12 1HD2 ASN 12 13.148 1.390 -7.736
91 HD22 ASN 12 2HD2 ASN 12 12.731 2.567 -8.919
92 H GLY 13 H GLY 13 11.197 1.647 -3.789
93 HA2 GLY 13 2HA GLY 13 12.079 4.097 -3.763
94 HA3 GLY 13 1HA GLY 13 10.366 4.391 -3.440
95 H LYS 14 H LYS 14 11.211 5.205 -1.391
96 HA LYS 14 HA LYS 14 12.112 3.205 0.486
97 HB2 LYS 14 2HB LYS 14 13.068 5.442 0.588
98 HB3 LYS 14 1HB LYS 14 11.468 6.139 0.789
99 HG2 LYS 14 2HG LYS 14 11.259 5.035 2.944
100 HG3 LYS 14 1HG LYS 14 12.858 4.324 2.748
101 HD2 LYS 14 2HD LYS 14 13.834 6.560 2.645
102 HD3 LYS 14 1HD LYS 14 12.231 7.270 2.824
103 HE2 LYS 14 2HE LYS 14 12.000 6.162 4.994
104 HE3 LYS 14 1HE LYS 14 13.629 5.510 4.821
105 HZ1 LYS 14 1HZ LYS 14 12.923 8.390 4.949
106 HZ2 LYS 14 2HZ LYS 14 14.478 7.772 4.780
107 HZ3 LYS 14 3HZ LYS 14 13.615 7.480 6.186
108 H CYS 15 H CYS 15 10.885 2.425 2.151
109 HA CYS 15 HA CYS 15 8.071 2.493 1.658
110 HB2 CYS 15 2HB CYS 15 9.321 0.394 2.267
111 HB3 CYS 15 1HB CYS 15 9.518 1.060 3.884
112 H PHE 16 H PHE 16 7.332 4.417 2.181
113 HA PHE 16 HA PHE 16 7.714 5.421 4.894
114 HB2 PHE 16 2HB PHE 16 6.354 6.587 2.465
115 HB3 PHE 16 1HB PHE 16 6.307 7.343 4.051
116 HD1 PHE 16 1HD PHE 16 8.353 8.337 4.988
117 HD2 PHE 16 2HD PHE 16 8.266 6.739 1.041
118 HE1 PHE 16 1HE PHE 16 10.379 9.603 4.432
119 HE2 PHE 16 2HE PHE 16 10.289 8.005 0.482
120 HZ PHE 16 HZ PHE 16 11.352 9.444 2.181
121 H HIS 17 H HIS 17 6.422 4.474 6.283
122 HA HIS 17 HA HIS 17 4.260 2.857 5.735
123 HB2 HIS 17 2HB HIS 17 4.979 4.323 8.272
124 HB3 HIS 17 1HB HIS 17 3.648 3.182 8.179
125 HD1 HIS 17 1HD HIS 17 4.358 1.002 9.180
126 HD2 HIS 17 2HD HIS 17 7.476 2.836 7.118
127 HE1 HIS 17 1HE HIS 17 6.345 -0.507 9.433
128 H LYS 18 H LYS 18 4.069 6.202 6.976
129 HA LYS 18 HA LYS 18 1.222 6.162 6.757
130 HB2 LYS 18 2HB LYS 18 2.418 7.538 8.476
131 HB3 LYS 18 1HB LYS 18 2.995 8.581 7.183
132 HG2 LYS 18 2HG LYS 18 0.698 9.150 6.591
133 HG3 LYS 18 1HG LYS 18 0.100 8.104 7.873
134 HD2 LYS 18 2HD LYS 18 1.220 9.549 9.532
135 HD3 LYS 18 1HD LYS 18 1.767 10.603 8.223
136 HE2 LYS 18 2HE LYS 18 -0.608 10.933 7.571
137 HE3 LYS 18 1HE LYS 18 -1.089 9.993 8.971
138 HZ1 LYS 18 1HZ LYS 18 -1.223 12.365 9.385
139 HZ2 LYS 18 2HZ LYS 18 0.411 12.563 9.082
140 HZ3 LYS 18 3HZ LYS 18 -0.098 11.659 10.411
141 H LYS 19 H LYS 19 3.853 7.472 4.825
142 HA LYS 19 HA LYS 19 2.123 8.948 3.125
143 HB2 LYS 19 2HB LYS 19 4.956 8.065 2.589
144 HB3 LYS 19 1HB LYS 19 4.050 9.155 1.564
145 HG2 LYS 19 2HG LYS 19 4.847 9.663 4.430
146 HG3 LYS 19 1HG LYS 19 5.588 10.374 3.000
147 HD2 LYS 19 2HD LYS 19 2.726 10.789 3.907
148 HD3 LYS 19 1HD LYS 19 4.044 11.932 4.105
149 HE2 LYS 19 2HE LYS 19 4.267 12.111 1.679
150 HE3 LYS 19 1HE LYS 19 2.950 10.962 1.466
151 HZ1 LYS 19 1HZ LYS 19 1.455 12.534 2.565
152 HZ2 LYS 19 2HZ LYS 19 2.194 13.240 1.225
153 HZ3 LYS 19 3HZ LYS 19 2.726 13.632 2.760
154 H CYS 20 H CYS 20 3.548 5.688 2.772
155 HA CYS 20 HA CYS 20 2.337 5.286 0.245
156 HB2 CYS 20 2HB CYS 20 3.276 3.260 2.293
157 HB3 CYS 20 1HB CYS 20 2.698 2.865 0.678
158 H ASN 21 H ASN 21 1.304 4.701 3.605
159 HA ASN 21 HA ASN 21 -1.026 3.294 3.079
160 HB2 ASN 21 2HB ASN 21 -0.233 3.652 5.368
161 HB3 ASN 21 1HB ASN 21 -0.566 5.375 5.232
162 HD21 ASN 21 1HD2 ASN 21 -2.697 6.109 5.465
163 HD22 ASN 21 2HD2 ASN 21 -3.968 5.082 5.971
164 H HIS 22 H HIS 22 -0.613 6.797 3.341
165 HA HIS 22 HA HIS 22 -3.314 7.244 2.627
166 HB2 HIS 22 2HB HIS 22 -1.014 9.133 2.978
167 HB3 HIS 22 1HB HIS 22 -2.610 9.682 2.468
168 HD1 HIS 22 1HD HIS 22 -4.382 9.923 4.286
169 HD2 HIS 22 2HD HIS 22 -0.937 8.023 5.590
170 HE1 HIS 22 1HE HIS 22 -4.648 9.670 6.756
171 H TRP 23 H TRP 23 -0.363 7.137 0.774
172 HA TRP 23 HA TRP 23 -1.210 8.334 -1.623
173 HB2 TRP 23 2HB TRP 23 1.117 7.433 -1.037
174 HB3 TRP 23 1HB TRP 23 0.493 5.832 -1.376
175 HD1 TRP 23 HD TRP 23 -0.737 5.934 -4.149
176 HE1 TRP 23 1HE TRP 23 0.579 6.673 -6.247
177 HE3 TRP 23 3HE TRP 23 3.002 8.580 -1.882
178 HZ2 TRP 23 2HZ TRP 23 2.894 8.158 -6.844
179 HZ3 TRP 23 3HZ TRP 23 4.736 9.614 -3.293
180 HH2 TRP 23 HH TRP 23 4.676 9.403 -5.717
181 H CYS 24 H CYS 24 -1.292 4.994 -0.563
182 HA CYS 24 HA CYS 24 -2.831 4.043 -2.710
183 HB2 CYS 24 2HB CYS 24 -2.165 2.916 -0.019
184 HB3 CYS 24 1HB CYS 24 -2.993 1.988 -1.255
185 H MET 25 H MET 25 -3.684 4.956 0.614
186 HA MET 25 HA MET 25 -6.355 4.125 0.556
187 HB2 MET 25 2HB MET 25 -5.145 4.673 2.612
188 HB3 MET 25 1HB MET 25 -5.059 6.352 2.116
189 HG2 MET 25 2HG MET 25 -7.460 6.567 2.326
190 HG3 MET 25 1HG MET 25 -7.588 4.858 2.754
191 HE1 MET 25 1HE MET 25 -8.959 5.601 4.942
192 HE2 MET 25 2HE MET 25 -8.755 7.297 4.504
193 HE3 MET 25 3HE MET 25 -8.341 6.751 6.129
194 H GLU 26 H GLU 26 -4.919 7.269 -0.267
195 HA GLU 26 HA GLU 26 -7.470 8.451 -0.811
196 HB2 GLU 26 2HB GLU 26 -5.457 9.672 0.061
197 HB3 GLU 26 1HB GLU 26 -4.706 9.449 -1.506
198 HG2 GLU 26 2HG GLU 26 -5.589 11.670 -1.331
199 HG3 GLU 26 1HG GLU 26 -6.520 10.766 -2.528
200 H LYS 27 H LYS 27 -4.648 7.574 -2.872
201 HA LYS 27 HA LYS 27 -6.161 8.270 -5.200
202 HB2 LYS 27 2HB LYS 27 -3.829 8.865 -5.183
203 HB3 LYS 27 1HB LYS 27 -3.355 7.194 -4.931
204 HG2 LYS 27 2HG LYS 27 -2.967 7.850 -7.241
205 HG3 LYS 27 1HG LYS 27 -4.223 6.616 -7.146
206 HD2 LYS 27 2HD LYS 27 -5.929 8.436 -7.273
207 HD3 LYS 27 1HD LYS 27 -4.620 9.583 -7.550
208 HE2 LYS 27 2HE LYS 27 -5.347 7.228 -9.295
209 HE3 LYS 27 1HE LYS 27 -5.680 8.916 -9.644
210 HZ1 LYS 27 1HZ LYS 27 -3.006 7.631 -9.485
211 HZ2 LYS 27 2HZ LYS 27 -3.261 9.292 -9.632
212 HZ3 LYS 27 3HZ LYS 27 -3.763 8.260 -10.853
213 H GLU 28 H GLU 28 -5.192 5.171 -3.739
214 HA GLU 28 HA GLU 28 -6.297 3.848 -6.127
215 HB2 GLU 28 2HB GLU 28 -4.724 2.629 -3.864
216 HB3 GLU 28 1HB GLU 28 -5.152 1.861 -5.385
217 HG2 GLU 28 2HG GLU 28 -3.728 3.456 -6.575
218 HG3 GLU 28 1HG GLU 28 -3.284 4.194 -5.036
219 H ASP 29 H ASP 29 -7.253 4.915 -3.263
220 HA ASP 29 HA ASP 29 -8.679 4.407 -1.634
221 HB2 ASP 29 2HB ASP 29 -10.315 4.756 -3.424
222 HB3 ASP 29 1HB ASP 29 -10.183 3.068 -3.901
223 H ALA 30 H ALA 30 -6.705 3.058 -1.212
224 HA ALA 30 HA ALA 30 -7.308 0.241 -0.848
225 HB1 ALA 30 1HB ALA 30 -4.936 1.880 0.049
226 HB2 ALA 30 2HB ALA 30 -5.011 0.895 -1.412
227 HB3 ALA 30 3HB ALA 30 -5.083 0.127 0.175
228 H LYS 31 H LYS 31 -7.271 -0.684 1.234
229 HA LYS 31 HA LYS 31 -8.759 0.914 3.083
230 HB2 LYS 31 2HB LYS 31 -7.685 -1.902 3.321
231 HB3 LYS 31 1HB LYS 31 -8.664 -1.119 4.555
232 HG2 LYS 31 2HG LYS 31 -10.458 -0.833 2.889
233 HG3 LYS 31 1HG LYS 31 -9.480 -1.738 1.734
234 HD2 LYS 31 2HD LYS 31 -9.589 -3.703 3.095
235 HD3 LYS 31 1HD LYS 31 -10.364 -2.817 4.407
236 HE2 LYS 31 2HE LYS 31 -11.502 -3.307 1.668
237 HE3 LYS 31 1HE LYS 31 -12.012 -4.116 3.156
238 HZ1 LYS 31 1HZ LYS 31 -12.701 -1.876 3.978
239 HZ2 LYS 31 2HZ LYS 31 -13.545 -2.367 2.618
240 HZ3 LYS 31 3HZ LYS 31 -12.318 -1.239 2.466
241 H TYR 32 H TYR 32 -5.659 -0.764 3.232
242 HA TYR 32 HA TYR 32 -4.543 1.470 4.623
243 HB2 TYR 32 2HB TYR 32 -3.608 -0.022 6.456
244 HB3 TYR 32 1HB TYR 32 -5.318 0.366 6.575
245 HD1 TYR 32 1HD TYR 32 -6.991 -1.375 6.161
246 HD2 TYR 32 2HD TYR 32 -2.840 -2.296 6.125
247 HE1 TYR 32 1HE TYR 32 -7.528 -3.734 6.375
248 HE2 TYR 32 2HE TYR 32 -3.371 -4.682 6.332
249 HH TYR 32 HH TYR 32 -6.535 -5.859 5.902
250 H GLY 33 H GLY 33 -2.463 1.717 4.268
251 HA2 GLY 33 2HA GLY 33 -1.122 -0.371 2.711
252 HA3 GLY 33 1HA GLY 33 -0.690 1.342 2.656
253 H SER 34 H SER 34 0.246 -1.532 3.777
254 HA SER 34 HA SER 34 1.446 -0.420 6.220
255 HB2 SER 34 2HB SER 34 0.961 -3.315 5.531
256 HB3 SER 34 1HB SER 34 1.450 -2.655 7.085
257 HG SER 34 HG SER 34 -0.712 -1.372 6.386
258 H CYS 35 H CYS 35 3.613 -1.645 6.654
259 HA CYS 35 HA CYS 35 5.029 -1.747 4.095
260 HB2 CYS 35 2HB CYS 35 5.673 -0.007 5.849
261 HB3 CYS 35 1HB CYS 35 6.239 -1.358 6.824
262 H SER 36 H SER 36 5.698 -3.586 3.456
263 HA SER 36 HA SER 36 5.887 -5.763 5.387
264 HB2 SER 36 2HB SER 36 5.415 -5.859 2.408
265 HB3 SER 36 1HB SER 36 5.440 -7.232 3.512
266 HG SER 36 HG SER 36 3.381 -6.642 3.104
267 H HIS 37 H HIS 37 8.001 -5.573 5.961
268 HA HIS 37 HA HIS 37 10.238 -5.754 5.902
269 HB2 HIS 37 2HB HIS 37 9.588 -7.468 3.502
270 HB3 HIS 37 1HB HIS 37 11.179 -7.391 4.239
271 HD1 HIS 37 1HD HIS 37 11.466 -8.571 6.561
272 HD2 HIS 37 2HD HIS 37 7.681 -8.923 4.879
273 HE1 HIS 37 1HE HIS 37 10.270 -10.310 7.920
274 H GLY 38 H GLY 38 9.271 -3.402 4.644
275 HA2 GLY 38 2HA GLY 38 10.729 -1.676 3.885
276 HA3 GLY 38 1HA GLY 38 11.630 -2.880 2.981
277 H ASP 39 H ASP 39 8.504 -3.619 2.353
278 HA ASP 39 HA ASP 39 8.393 -1.716 0.111
279 HB2 ASP 39 2HB ASP 39 7.612 -4.629 0.161
280 HB3 ASP 39 1HB ASP 39 7.074 -3.522 -1.097
281 H CYS 40 H CYS 40 6.443 -0.788 -0.403
282 HA CYS 40 HA CYS 40 4.600 -0.664 1.790
283 HB2 CYS 40 2HB CYS 40 4.612 0.768 -0.879
284 HB3 CYS 40 1HB CYS 40 3.529 1.111 0.464
285 H TYR 41 H TYR 41 3.040 -2.108 1.989
286 HA TYR 41 HA TYR 41 1.844 -3.199 -0.431
287 HB2 TYR 41 2HB TYR 41 2.409 -4.436 2.218
288 HB3 TYR 41 1HB TYR 41 0.973 -4.971 1.348
289 HD1 TYR 41 1HD TYR 41 4.593 -4.292 0.642
290 HD2 TYR 41 2HD TYR 41 1.198 -6.747 -0.075
291 HE1 TYR 41 1HE TYR 41 5.941 -5.731 -0.831
292 HE2 TYR 41 2HE TYR 41 2.528 -8.182 -1.531
293 HH TYR 41 HH TYR 41 5.857 -8.107 -1.685
294 H CYS 42 H CYS 42 0.095 -2.421 -0.947
295 HA CYS 42 HA CYS 42 -1.620 -1.107 1.016
296 HB2 CYS 42 2HB CYS 42 -1.630 -0.956 -1.994
297 HB3 CYS 42 1HB CYS 42 -2.528 0.092 -0.904
298 H TYR 43 H TYR 43 -3.266 -2.154 1.743
299 HA TYR 43 HA TYR 43 -4.102 -4.565 0.378
300 HB2 TYR 43 2HB TYR 43 -4.641 -3.544 3.156
301 HB3 TYR 43 1HB TYR 43 -5.240 -5.071 2.517
302 HD1 TYR 43 1HD TYR 43 -3.722 -6.948 2.194
303 HD2 TYR 43 2HD TYR 43 -2.291 -3.244 3.690
304 HE1 TYR 43 1HE TYR 43 -1.658 -8.041 2.900
305 HE2 TYR 43 2HE TYR 43 -0.220 -4.317 4.397
306 HH TYR 43 HH TYR 43 0.673 -7.456 3.429
307 H TYR 44 H TYR 44 -5.830 -4.713 -0.684
308 HA TYR 44 HA TYR 44 -8.027 -2.761 -0.358
309 HB2 TYR 44 2HB TYR 44 -7.522 -4.588 -2.706
310 HB3 TYR 44 1HB TYR 44 -8.584 -3.193 -2.644
311 HD1 TYR 44 1HD TYR 44 -7.480 -0.896 -2.464
312 HD2 TYR 44 2HD TYR 44 -5.352 -4.423 -3.459
313 HE1 TYR 44 1HE TYR 44 -5.694 0.460 -3.439
314 HE2 TYR 44 2HE TYR 44 -3.573 -3.074 -4.450
315 HH TYR 44 HH TYR 44 -3.247 0.285 -4.161
316 H HIS 45 H HIS 45 -10.151 -3.977 -1.003
317 HA HIS 45 HA HIS 45 -10.064 -6.586 0.274
318 HB2 HIS 45 2HB HIS 45 -12.503 -6.581 0.279
319 HB3 HIS 45 1HB HIS 45 -11.932 -5.076 0.960
320 HD1 HIS 45 1HD HIS 45 -14.503 -6.276 -1.135
321 HD2 HIS 45 2HD HIS 45 -11.959 -2.991 -1.336
322 HE1 HIS 45 1HE HIS 45 -15.643 -4.613 -2.619
323 H CYS 46 H CYS 46 -10.153 -8.416 -0.771
324 HA CYS 46 HA CYS 46 -9.939 -8.592 -3.563
325 HB2 CYS 46 2HB CYS 46 -10.756 -10.713 -1.598
326 HB3 CYS 46 1HB CYS 46 -10.060 -10.975 -3.187
Start of MODEL 6
1 H1 ALA 1 H ALA 1 -15.480 -9.121 5.859
2 HA ALA 1 HA ALA 1 -14.563 -9.814 3.823
3 HB1 ALA 1 1HB ALA 1 -13.792 -6.922 3.409
4 HB2 ALA 1 2HB ALA 1 -15.216 -7.706 2.731
5 HB3 ALA 1 3HB ALA 1 -13.603 -8.223 2.234
6 H LYS 2 H LYS 2 -12.287 -10.128 3.039
7 HA LYS 2 HA LYS 2 -10.490 -10.023 5.336
8 HB2 LYS 2 2HB LYS 2 -10.869 -12.208 4.272
9 HB3 LYS 2 1HB LYS 2 -10.446 -11.537 2.710
10 HG2 LYS 2 2HG LYS 2 -8.651 -12.882 3.517
11 HG3 LYS 2 1HG LYS 2 -8.143 -11.195 3.537
12 HD2 LYS 2 2HD LYS 2 -8.606 -11.102 5.948
13 HD3 LYS 2 1HD LYS 2 -9.089 -12.799 5.914
14 HE2 LYS 2 2HE LYS 2 -6.367 -11.707 5.214
15 HE3 LYS 2 1HE LYS 2 -6.793 -12.554 6.697
16 HZ1 LYS 2 1HZ LYS 2 -5.707 -14.016 5.140
17 HZ2 LYS 2 2HZ LYS 2 -6.864 -13.714 3.956
18 HZ3 LYS 2 3HZ LYS 2 -7.295 -14.518 5.375
19 H HIS 3 H HIS 3 -8.375 -9.124 5.038
20 HA HIS 3 HA HIS 3 -8.244 -7.010 3.189
21 HB2 HIS 3 2HB HIS 3 -5.890 -6.801 3.806
22 HB3 HIS 3 1HB HIS 3 -6.953 -6.735 5.218
23 HD1 HIS 3 1HD HIS 3 -6.565 -8.660 6.983
24 HD2 HIS 3 2HD HIS 3 -4.131 -8.933 3.629
25 HE1 HIS 3 1HE HIS 3 -4.758 -10.314 7.561
26 H CYS 4 H CYS 4 -7.594 -6.941 1.288
27 HA CYS 4 HA CYS 4 -6.745 -9.413 0.065
28 HB2 CYS 4 2HB CYS 4 -8.840 -7.996 -0.542
29 HB3 CYS 4 1HB CYS 4 -7.677 -6.941 -1.318
30 H GLY 5 H GLY 5 -4.592 -9.449 -0.027
31 HA2 GLY 5 2HA GLY 5 -3.082 -6.976 -0.165
32 HA3 GLY 5 1HA GLY 5 -2.431 -8.585 0.120
33 H LYS 6 H LYS 6 -2.280 -6.184 -1.957
34 HA LYS 6 HA LYS 6 -2.059 -8.004 -4.233
35 HB2 LYS 6 2HB LYS 6 -3.633 -6.125 -4.519
36 HB3 LYS 6 1HB LYS 6 -2.293 -4.998 -4.272
37 HG2 LYS 6 2HG LYS 6 -1.188 -6.017 -6.262
38 HG3 LYS 6 1HG LYS 6 -2.641 -6.972 -6.531
39 HD2 LYS 6 2HD LYS 6 -2.750 -5.058 -7.977
40 HD3 LYS 6 1HD LYS 6 -3.926 -4.820 -6.686
41 HE2 LYS 6 2HE LYS 6 -2.358 -3.347 -5.516
42 HE3 LYS 6 1HE LYS 6 -1.155 -3.627 -6.773
43 HZ1 LYS 6 1HZ LYS 6 -3.800 -2.347 -7.173
44 HZ2 LYS 6 2HZ LYS 6 -2.612 -2.545 -8.357
45 HZ3 LYS 6 3HZ LYS 6 -2.343 -1.527 -7.052
46 H HIS 7 H HIS 7 -0.156 -8.355 -4.938
47 HA HIS 7 HA HIS 7 2.184 -7.301 -3.667
48 HB2 HIS 7 2HB HIS 7 1.882 -9.657 -4.709
49 HB3 HIS 7 1HB HIS 7 2.103 -8.866 -6.261
50 HD1 HIS 7 1HD HIS 7 4.009 -10.818 -4.037
51 HD2 HIS 7 2HD HIS 7 4.717 -7.211 -5.995
52 HE1 HIS 7 1HE HIS 7 6.483 -10.538 -4.090
53 H SER 8 H SER 8 3.091 -5.405 -4.193
54 HA SER 8 HA SER 8 2.253 -4.196 -6.711
55 HB2 SER 8 2HB SER 8 1.377 -3.059 -4.736
56 HB3 SER 8 1HB SER 8 3.002 -2.900 -4.081
57 HG SER 8 HG SER 8 1.712 -1.460 -6.052
58 H LYS 9 H LYS 9 3.737 -2.645 -7.605
59 HA LYS 9 HA LYS 9 6.484 -3.527 -7.670
60 HB2 LYS 9 2HB LYS 9 5.286 -2.911 -9.758
61 HB3 LYS 9 1HB LYS 9 5.027 -1.295 -9.126
62 HG2 LYS 9 2HG LYS 9 6.809 -1.340 -10.790
63 HG3 LYS 9 1HG LYS 9 7.419 -0.862 -9.204
64 HD2 LYS 9 2HD LYS 9 8.202 -3.143 -8.833
65 HD3 LYS 9 1HD LYS 9 7.630 -3.600 -10.441
66 HE2 LYS 9 2HE LYS 9 9.167 -2.011 -11.446
67 HE3 LYS 9 1HE LYS 9 9.700 -1.486 -9.851
68 HZ1 LYS 9 1HZ LYS 9 11.269 -3.041 -10.761
69 HZ2 LYS 9 2HZ LYS 9 10.061 -4.168 -11.050
70 HZ3 LYS 9 3HZ LYS 9 10.475 -3.790 -9.470
71 H SER 10 H SER 10 4.513 -1.378 -6.004
72 HA SER 10 HA SER 10 4.818 -0.051 -4.267
73 HB2 SER 10 2HB SER 10 6.621 -1.603 -3.575
74 HB3 SER 10 1HB SER 10 7.776 -0.679 -4.524
75 HG SER 10 HG SER 10 8.024 0.488 -2.857
76 H TRP 11 H TRP 11 6.083 1.981 -3.585
77 HA TRP 11 HA TRP 11 6.106 3.798 -5.853
78 HB2 TRP 11 2HB TRP 11 4.643 4.395 -3.986
79 HB3 TRP 11 1HB TRP 11 5.968 4.211 -2.852
80 HD1 TRP 11 HD TRP 11 5.419 6.379 -6.023
81 HE1 TRP 11 1HE TRP 11 6.174 8.795 -5.472
82 HE3 TRP 11 3HE TRP 11 6.894 5.669 -1.208
83 HZ2 TRP 11 2HZ TRP 11 7.236 10.192 -3.267
84 HZ3 TRP 11 3HZ TRP 11 7.758 7.599 0.072
85 HH2 TRP 11 HH TRP 11 7.921 9.810 -0.951
86 H ASN 12 H ASN 12 8.017 4.367 -6.613
87 HA ASN 12 HA ASN 12 10.398 3.404 -5.433
88 HB2 ASN 12 2HB ASN 12 10.003 5.307 -7.758
89 HB3 ASN 12 1HB ASN 12 11.570 4.702 -7.238
90 HD21 ASN 12 1HD2 ASN 12 12.080 2.525 -7.591
91 HD22 ASN 12 2HD2 ASN 12 11.179 1.549 -8.685
92 H GLY 13 H GLY 13 11.304 4.167 -3.776
93 HA2 GLY 13 2HA GLY 13 12.439 6.515 -3.278
94 HA3 GLY 13 1HA GLY 13 10.765 6.796 -2.784
95 H LYS 14 H LYS 14 11.411 6.933 -0.588
96 HA LYS 14 HA LYS 14 12.426 4.461 0.584
97 HB2 LYS 14 2HB LYS 14 13.244 6.776 1.294
98 HB3 LYS 14 1HB LYS 14 11.642 6.986 2.003
99 HG2 LYS 14 2HG LYS 14 13.061 6.332 3.772
100 HG3 LYS 14 1HG LYS 14 12.081 4.928 3.352
101 HD2 LYS 14 2HD LYS 14 13.949 4.042 2.006
102 HD3 LYS 14 1HD LYS 14 14.924 5.429 2.476
103 HE2 LYS 14 2HE LYS 14 13.836 3.273 4.283
104 HE3 LYS 14 1HE LYS 14 15.516 3.543 3.844
105 HZ1 LYS 14 1HZ LYS 14 15.375 5.722 4.963
106 HZ2 LYS 14 2HZ LYS 14 15.124 4.418 6.004
107 HZ3 LYS 14 3HZ LYS 14 13.806 5.322 5.473
108 H CYS 15 H CYS 15 11.119 3.105 1.709
109 HA CYS 15 HA CYS 15 8.280 3.629 1.562
110 HB2 CYS 15 2HB CYS 15 9.127 1.448 0.805
111 HB3 CYS 15 1HB CYS 15 9.774 1.135 2.408
112 H PHE 16 H PHE 16 7.064 4.239 3.203
113 HA PHE 16 HA PHE 16 7.868 3.720 5.967
114 HB2 PHE 16 2HB PHE 16 6.632 6.268 4.857
115 HB3 PHE 16 1HB PHE 16 6.817 5.909 6.563
116 HD1 PHE 16 1HD PHE 16 8.462 7.042 3.521
117 HD2 PHE 16 2HD PHE 16 9.030 5.959 7.598
118 HE1 PHE 16 1HE PHE 16 10.643 8.170 3.515
119 HE2 PHE 16 2HE PHE 16 11.218 7.078 7.588
120 HZ PHE 16 HZ PHE 16 12.021 8.188 5.542
121 H HIS 17 H HIS 17 6.059 3.143 7.231
122 HA HIS 17 HA HIS 17 4.061 1.724 5.861
123 HB2 HIS 17 2HB HIS 17 4.913 1.358 8.258
124 HB3 HIS 17 1HB HIS 17 3.769 2.606 8.724
125 HD1 HIS 17 1HD HIS 17 1.147 1.973 8.541
126 HD2 HIS 17 2HD HIS 17 3.838 -1.086 7.662
127 HE1 HIS 17 1HE HIS 17 -0.198 -0.123 8.473
128 H LYS 18 H LYS 18 3.732 4.719 7.741
129 HA LYS 18 HA LYS 18 0.966 5.014 7.280
130 HB2 LYS 18 2HB LYS 18 2.283 6.102 9.125
131 HB3 LYS 18 1HB LYS 18 2.928 7.216 7.928
132 HG2 LYS 18 2HG LYS 18 0.637 7.979 7.439
133 HG3 LYS 18 1HG LYS 18 0.047 6.887 8.692
134 HD2 LYS 18 2HD LYS 18 1.416 8.088 10.351
135 HD3 LYS 18 1HD LYS 18 1.925 9.213 9.092
136 HE2 LYS 18 2HE LYS 18 -0.899 8.774 10.070
137 HE3 LYS 18 1HE LYS 18 0.122 10.168 10.406
138 HZ1 LYS 18 1HZ LYS 18 0.133 10.609 7.990
139 HZ2 LYS 18 2HZ LYS 18 -1.386 10.726 8.689
140 HZ3 LYS 18 3HZ LYS 18 -1.011 9.375 7.770
141 H LYS 19 H LYS 19 3.780 6.350 5.646
142 HA LYS 19 HA LYS 19 2.327 7.964 3.818
143 HB2 LYS 19 2HB LYS 19 5.103 6.825 3.679
144 HB3 LYS 19 1HB LYS 19 4.440 7.859 2.430
145 HG2 LYS 19 2HG LYS 19 4.190 9.672 4.015
146 HG3 LYS 19 1HG LYS 19 4.766 8.626 5.316
147 HD2 LYS 19 2HD LYS 19 6.923 8.445 4.310
148 HD3 LYS 19 1HD LYS 19 6.371 9.274 2.855
149 HE2 LYS 19 2HE LYS 19 6.422 10.517 5.595
150 HE3 LYS 19 1HE LYS 19 7.726 10.681 4.415
151 HZ1 LYS 19 1HZ LYS 19 6.149 11.698 2.905
152 HZ2 LYS 19 2HZ LYS 19 6.263 12.570 4.337
153 HZ3 LYS 19 3HZ LYS 19 4.920 11.583 4.053
154 H CYS 20 H CYS 20 3.396 4.658 3.773
155 HA CYS 20 HA CYS 20 2.819 4.032 1.101
156 HB2 CYS 20 2HB CYS 20 4.152 2.698 2.805
157 HB3 CYS 20 1HB CYS 20 2.611 2.196 3.485
158 H ASN 21 H ASN 21 0.964 3.894 4.087
159 HA ASN 21 HA ASN 21 -1.430 2.849 3.189
160 HB2 ASN 21 2HB ASN 21 -1.168 3.084 5.519
161 HB3 ASN 21 1HB ASN 21 -0.758 4.788 5.388
162 HD21 ASN 21 1HD2 ASN 21 -2.378 6.289 5.435
163 HD22 ASN 21 2HD2 ASN 21 -4.031 5.899 5.648
164 H HIS 22 H HIS 22 -0.512 6.261 3.422
165 HA HIS 22 HA HIS 22 -2.889 7.199 2.221
166 HB2 HIS 22 2HB HIS 22 -0.216 8.540 2.560
167 HB3 HIS 22 1HB HIS 22 -1.603 9.346 1.838
168 HD1 HIS 22 1HD HIS 22 -3.522 10.054 3.449
169 HD2 HIS 22 2HD HIS 22 -0.330 8.158 5.296
170 HE1 HIS 22 1HE HIS 22 -3.827 10.429 5.922
171 H TRP 23 H TRP 23 0.248 6.341 0.882
172 HA TRP 23 HA TRP 23 -0.196 7.295 -1.701
173 HB2 TRP 23 2HB TRP 23 2.042 6.568 -1.023
174 HB3 TRP 23 1HB TRP 23 1.470 4.910 -0.842
175 HD1 TRP 23 HD TRP 23 1.553 3.395 -2.963
176 HE1 TRP 23 1HE TRP 23 2.112 3.773 -5.450
177 HE3 TRP 23 3HE TRP 23 1.898 8.493 -2.957
178 HZ2 TRP 23 2HZ TRP 23 2.648 5.933 -7.166
179 HZ3 TRP 23 3HZ TRP 23 2.438 9.641 -5.064
180 HH2 TRP 23 HH TRP 23 2.804 8.384 -7.124
181 H CYS 24 H CYS 24 -0.599 3.951 -0.524
182 HA CYS 24 HA CYS 24 -1.784 3.007 -2.856
183 HB2 CYS 24 2HB CYS 24 -2.072 2.045 -0.012
184 HB3 CYS 24 1HB CYS 24 -2.728 1.187 -1.398
185 H MET 25 H MET 25 -3.286 4.533 -0.040
186 HA MET 25 HA MET 25 -5.935 3.972 -0.829
187 HB2 MET 25 2HB MET 25 -5.279 4.510 1.488
188 HB3 MET 25 1HB MET 25 -4.948 6.162 0.996
189 HG2 MET 25 2HG MET 25 -7.261 6.523 0.467
190 HG3 MET 25 1HG MET 25 -7.635 4.830 0.784
191 HE1 MET 25 1HE MET 25 -9.575 5.440 2.410
192 HE2 MET 25 2HE MET 25 -9.297 7.154 2.091
193 HE3 MET 25 3HE MET 25 -9.422 6.573 3.751
194 H GLU 26 H GLU 26 -3.875 6.813 -1.334
195 HA GLU 26 HA GLU 26 -5.949 8.305 -2.662
196 HB2 GLU 26 2HB GLU 26 -4.135 9.357 -1.348
197 HB3 GLU 26 1HB GLU 26 -2.964 8.753 -2.500
198 HG2 GLU 26 2HG GLU 26 -3.324 11.059 -2.946
199 HG3 GLU 26 1HG GLU 26 -4.074 10.134 -4.243
200 H LYS 27 H LYS 27 -3.221 6.308 -3.631
201 HA LYS 27 HA LYS 27 -3.269 7.120 -6.356
202 HB2 LYS 27 2HB LYS 27 -1.201 6.430 -5.311
203 HB3 LYS 27 1HB LYS 27 -1.853 4.836 -5.000
204 HG2 LYS 27 2HG LYS 27 -0.326 4.769 -6.841
205 HG3 LYS 27 1HG LYS 27 -1.955 4.430 -7.424
206 HD2 LYS 27 2HD LYS 27 -2.127 6.769 -8.183
207 HD3 LYS 27 1HD LYS 27 -0.470 7.045 -7.637
208 HE2 LYS 27 2HE LYS 27 -1.319 5.025 -9.704
209 HE3 LYS 27 1HE LYS 27 -0.608 6.594 -10.058
210 HZ1 LYS 27 1HZ LYS 27 1.428 5.878 -8.927
211 HZ2 LYS 27 2HZ LYS 27 1.022 4.812 -10.149
212 HZ3 LYS 27 3HZ LYS 27 0.732 4.385 -8.562
213 H GLU 28 H GLU 28 -4.321 4.063 -4.750
214 HA GLU 28 HA GLU 28 -5.638 3.438 -7.332
215 HB2 GLU 28 2HB GLU 28 -4.313 1.510 -5.446
216 HB3 GLU 28 1HB GLU 28 -5.134 1.057 -6.921
217 HG2 GLU 28 2HG GLU 28 -3.441 2.490 -8.146
218 HG3 GLU 28 1HG GLU 28 -2.601 2.636 -6.607
219 H ASP 29 H ASP 29 -6.467 4.513 -4.597
220 HA ASP 29 HA ASP 29 -7.847 4.186 -2.886
221 HB2 ASP 29 2HB ASP 29 -9.583 4.701 -4.532
222 HB3 ASP 29 1HB ASP 29 -9.664 3.007 -5.013
223 H ALA 30 H ALA 30 -6.371 2.840 -2.036
224 HA ALA 30 HA ALA 30 -7.367 0.125 -1.688
225 HB1 ALA 30 1HB ALA 30 -5.205 -0.306 -0.586
226 HB2 ALA 30 2HB ALA 30 -4.763 1.387 -0.818
227 HB3 ALA 30 3HB ALA 30 -4.980 0.335 -2.219
228 H LYS 31 H LYS 31 -7.214 -0.543 0.661
229 HA LYS 31 HA LYS 31 -8.731 1.421 2.152
230 HB2 LYS 31 2HB LYS 31 -7.838 -1.345 2.942
231 HB3 LYS 31 1HB LYS 31 -9.000 -0.338 3.804
232 HG2 LYS 31 2HG LYS 31 -10.463 -0.379 1.832
233 HG3 LYS 31 1HG LYS 31 -9.300 -1.416 1.021
234 HD2 LYS 31 2HD LYS 31 -11.091 -2.713 1.891
235 HD3 LYS 31 1HD LYS 31 -9.615 -3.103 2.763
236 HE2 LYS 31 2HE LYS 31 -11.523 -2.926 4.286
237 HE3 LYS 31 1HE LYS 31 -10.299 -1.697 4.590
238 HZ1 LYS 31 1HZ LYS 31 -12.562 -0.813 4.696
239 HZ2 LYS 31 2HZ LYS 31 -12.859 -1.258 3.112
240 HZ3 LYS 31 3HZ LYS 31 -11.718 -0.069 3.452
241 H TYR 32 H TYR 32 -5.640 -0.108 2.168
242 HA TYR 32 HA TYR 32 -4.432 2.023 3.510
243 HB2 TYR 32 2HB TYR 32 -3.592 0.788 5.472
244 HB3 TYR 32 1HB TYR 32 -5.341 0.929 5.518
245 HD1 TYR 32 1HD TYR 32 -6.750 -1.136 5.029
246 HD2 TYR 32 2HD TYR 32 -2.508 -1.299 5.472
247 HE1 TYR 32 1HE TYR 32 -6.889 -3.527 5.432
248 HE2 TYR 32 2HE TYR 32 -2.643 -3.701 5.858
249 HH TYR 32 HH TYR 32 -5.456 -5.470 5.265
250 H GLY 33 H GLY 33 -2.077 1.187 4.044
251 HA2 GLY 33 2HA GLY 33 -1.231 -0.690 1.998
252 HA3 GLY 33 1HA GLY 33 -0.505 0.923 2.063
253 H SER 34 H SER 34 0.858 -1.554 2.536
254 HA SER 34 HA SER 34 1.805 -0.851 5.173
255 HB2 SER 34 2HB SER 34 1.089 -3.683 4.376
256 HB3 SER 34 1HB SER 34 1.897 -3.207 5.865
257 HG SER 34 HG SER 34 -0.182 -1.691 5.686
258 H CYS 35 H CYS 35 3.957 -1.192 5.441
259 HA CYS 35 HA CYS 35 5.407 -1.549 2.984
260 HB2 CYS 35 2HB CYS 35 5.826 0.300 4.743
261 HB3 CYS 35 1HB CYS 35 6.549 -0.977 5.715
262 H SER 36 H SER 36 6.101 -3.474 2.471
263 HA SER 36 HA SER 36 6.486 -5.479 4.576
264 HB2 SER 36 2HB SER 36 4.549 -5.969 3.112
265 HB3 SER 36 1HB SER 36 5.604 -5.884 1.706
266 HG SER 36 HG SER 36 6.214 -7.842 2.073
267 H HIS 37 H HIS 37 8.589 -5.605 4.898
268 HA HIS 37 HA HIS 37 10.786 -6.019 4.599
269 HB2 HIS 37 2HB HIS 37 9.915 -6.883 1.834
270 HB3 HIS 37 1HB HIS 37 11.560 -7.051 2.425
271 HD1 HIS 37 1HD HIS 37 12.063 -9.224 3.564
272 HD2 HIS 37 2HD HIS 37 7.985 -8.452 3.363
273 HE1 HIS 37 1HE HIS 37 10.924 -11.323 4.362
274 H GLY 38 H GLY 38 9.416 -3.451 3.656
275 HA2 GLY 38 2HA GLY 38 10.648 -1.440 3.333
276 HA3 GLY 38 1HA GLY 38 11.819 -2.360 2.397
277 H ASP 39 H ASP 39 8.747 -3.329 1.470
278 HA ASP 39 HA ASP 39 8.662 -1.270 -0.645
279 HB2 ASP 39 2HB ASP 39 8.094 -4.211 -0.882
280 HB3 ASP 39 1HB ASP 39 7.608 -3.072 -2.117
281 H CYS 40 H CYS 40 6.590 -0.740 -1.427
282 HA CYS 40 HA CYS 40 4.526 -0.920 0.527
283 HB2 CYS 40 2HB CYS 40 4.953 0.605 -1.957
284 HB3 CYS 40 1HB CYS 40 3.286 0.331 -1.449
285 H TYR 41 H TYR 41 2.971 -2.238 0.654
286 HA TYR 41 HA TYR 41 1.994 -3.564 -1.748
287 HB2 TYR 41 2HB TYR 41 2.391 -4.700 1.033
288 HB3 TYR 41 1HB TYR 41 1.286 -5.436 -0.120
289 HD1 TYR 41 1HD TYR 41 2.094 -7.156 -1.432
290 HD2 TYR 41 2HD TYR 41 4.888 -4.301 0.046
291 HE1 TYR 41 1HE TYR 41 3.942 -8.436 -2.416
292 HE2 TYR 41 2HE TYR 41 6.710 -5.581 -0.921
293 HH TYR 41 HH TYR 41 6.293 -8.000 -3.188
294 H CYS 42 H CYS 42 -0.081 -3.238 -2.096
295 HA CYS 42 HA CYS 42 -1.457 -1.476 -0.217
296 HB2 CYS 42 2HB CYS 42 -2.122 -2.133 -3.086
297 HB3 CYS 42 1HB CYS 42 -2.864 -0.877 -2.104
298 H TYR 43 H TYR 43 -3.367 -2.010 0.734
299 HA TYR 43 HA TYR 43 -4.338 -4.701 0.171
300 HB2 TYR 43 2HB TYR 43 -4.183 -3.236 2.795
301 HB3 TYR 43 1HB TYR 43 -5.125 -4.703 2.564
302 HD1 TYR 43 1HD TYR 43 -4.091 -6.820 2.505
303 HD2 TYR 43 2HD TYR 43 -1.686 -3.322 2.533
304 HE1 TYR 43 1HE TYR 43 -2.118 -8.195 2.914
305 HE2 TYR 43 2HE TYR 43 0.299 -4.676 2.924
306 HH TYR 43 HH TYR 43 0.779 -6.985 3.987
307 H TYR 44 H TYR 44 -6.279 -4.969 -0.330
308 HA TYR 44 HA TYR 44 -8.212 -2.736 -0.228
309 HB2 TYR 44 2HB TYR 44 -8.091 -5.061 -2.173
310 HB3 TYR 44 1HB TYR 44 -9.186 -3.692 -2.260
311 HD1 TYR 44 1HD TYR 44 -8.348 -1.497 -2.997
312 HD2 TYR 44 2HD TYR 44 -5.826 -4.912 -2.917
313 HE1 TYR 44 1HE TYR 44 -6.752 -0.330 -4.405
314 HE2 TYR 44 2HE TYR 44 -4.208 -3.767 -4.332
315 HH TYR 44 HH TYR 44 -4.309 -0.439 -4.968
316 H HIS 45 H HIS 45 -10.531 -3.951 -0.501
317 HA HIS 45 HA HIS 45 -10.561 -6.096 1.493
318 HB2 HIS 45 2HB HIS 45 -13.005 -5.742 1.630
319 HB3 HIS 45 1HB HIS 45 -12.138 -4.277 2.018
320 HD1 HIS 45 1HD HIS 45 -12.401 -2.258 0.178
321 HD2 HIS 45 2HD HIS 45 -14.633 -5.701 -0.552
322 HE1 HIS 45 1HE HIS 45 -14.084 -1.643 -1.545
323 H CYS 46 H CYS 46 -11.058 -8.163 1.028
324 HA CYS 46 HA CYS 46 -12.517 -8.747 -1.380
325 HB2 CYS 46 2HB CYS 46 -9.853 -9.928 -0.586
326 HB3 CYS 46 1HB CYS 46 -10.992 -10.827 -1.569
Start of MODEL 7
1 H1 ALA 1 H ALA 1 -14.605 -11.130 4.962
2 HA ALA 1 HA ALA 1 -14.753 -9.153 3.174
3 HB1 ALA 1 1HB ALA 1 -15.069 -7.471 4.935
4 HB2 ALA 1 2HB ALA 1 -13.575 -7.206 4.015
5 HB3 ALA 1 3HB ALA 1 -13.502 -7.933 5.616
6 H LYS 2 H LYS 2 -13.265 -9.936 1.889
7 HA LYS 2 HA LYS 2 -11.045 -11.360 2.925
8 HB2 LYS 2 2HB LYS 2 -11.831 -10.686 0.097
9 HB3 LYS 2 1HB LYS 2 -10.503 -11.752 0.523
10 HG2 LYS 2 2HG LYS 2 -12.066 -13.315 1.533
11 HG3 LYS 2 1HG LYS 2 -13.401 -12.212 1.197
12 HD2 LYS 2 2HD LYS 2 -13.017 -12.435 -1.195
13 HD3 LYS 2 1HD LYS 2 -11.629 -13.480 -0.896
14 HE2 LYS 2 2HE LYS 2 -13.067 -15.149 0.116
15 HE3 LYS 2 1HE LYS 2 -14.462 -14.087 -0.060
16 HZ1 LYS 2 1HZ LYS 2 -14.263 -14.266 -2.448
17 HZ2 LYS 2 2HZ LYS 2 -14.357 -15.800 -1.774
18 HZ3 LYS 2 3HZ LYS 2 -12.880 -15.224 -2.311
19 H HIS 3 H HIS 3 -9.566 -10.025 3.854
20 HA HIS 3 HA HIS 3 -8.641 -7.660 2.535
21 HB2 HIS 3 2HB HIS 3 -7.658 -9.154 4.971
22 HB3 HIS 3 1HB HIS 3 -6.755 -7.805 4.295
23 HD1 HIS 3 1HD HIS 3 -7.130 -6.006 6.048
24 HD2 HIS 3 2HD HIS 3 -10.646 -7.913 4.902
25 HE1 HIS 3 1HE HIS 3 -9.004 -4.728 7.134
26 H CYS 4 H CYS 4 -7.402 -7.620 0.898
27 HA CYS 4 HA CYS 4 -5.608 -9.880 0.404
28 HB2 CYS 4 2HB CYS 4 -7.144 -8.154 -1.527
29 HB3 CYS 4 1HB CYS 4 -6.023 -9.418 -1.998
30 H GLY 5 H GLY 5 -3.612 -9.225 0.769
31 HA2 GLY 5 2HA GLY 5 -2.841 -6.450 0.538
32 HA3 GLY 5 1HA GLY 5 -1.837 -7.784 1.088
33 H LYS 6 H LYS 6 -2.651 -5.768 -1.490
34 HA LYS 6 HA LYS 6 -1.570 -7.484 -3.522
35 HB2 LYS 6 2HB LYS 6 -3.344 -5.954 -4.142
36 HB3 LYS 6 1HB LYS 6 -2.378 -4.589 -3.569
37 HG2 LYS 6 2HG LYS 6 -0.677 -5.164 -5.306
38 HG3 LYS 6 1HG LYS 6 -1.807 -6.364 -5.923
39 HD2 LYS 6 2HD LYS 6 -3.398 -4.652 -6.492
40 HD3 LYS 6 1HD LYS 6 -2.404 -3.416 -5.711
41 HE2 LYS 6 2HE LYS 6 -0.607 -3.835 -7.320
42 HE3 LYS 6 1HE LYS 6 -1.584 -5.067 -8.102
43 HZ1 LYS 6 1HZ LYS 6 -1.642 -2.954 -9.278
44 HZ2 LYS 6 2HZ LYS 6 -2.317 -2.193 -7.922
45 HZ3 LYS 6 3HZ LYS 6 -3.173 -3.384 -8.720
46 H HIS 7 H HIS 7 0.425 -7.558 -4.109
47 HA HIS 7 HA HIS 7 2.428 -5.805 -3.017
48 HB2 HIS 7 2HB HIS 7 2.970 -8.203 -3.544
49 HB3 HIS 7 1HB HIS 7 2.590 -7.899 -5.232
50 HD1 HIS 7 1HD HIS 7 5.376 -7.590 -2.735
51 HD2 HIS 7 2HD HIS 7 4.549 -6.383 -6.628
52 HE1 HIS 7 1HE HIS 7 7.562 -6.877 -3.714
53 H SER 8 H SER 8 2.135 -3.766 -3.714
54 HA SER 8 HA SER 8 1.102 -2.977 -6.169
55 HB2 SER 8 2HB SER 8 2.976 -1.489 -4.310
56 HB3 SER 8 1HB SER 8 1.872 -0.765 -5.485
57 HG SER 8 HG SER 8 1.061 -0.857 -3.256
58 H LYS 9 H LYS 9 2.486 -1.610 -7.783
59 HA LYS 9 HA LYS 9 4.179 -3.349 -9.080
60 HB2 LYS 9 2HB LYS 9 3.004 -1.495 -10.204
61 HB3 LYS 9 1HB LYS 9 4.104 -0.346 -9.458
62 HG2 LYS 9 2HG LYS 9 5.966 -1.282 -10.674
63 HG3 LYS 9 1HG LYS 9 4.926 -2.536 -11.344
64 HD2 LYS 9 2HD LYS 9 3.664 -0.871 -12.565
65 HD3 LYS 9 1HD LYS 9 4.615 0.421 -11.827
66 HE2 LYS 9 2HE LYS 9 5.410 -0.072 -14.100
67 HE3 LYS 9 1HE LYS 9 6.639 -0.437 -12.898
68 HZ1 LYS 9 1HZ LYS 9 4.904 -2.401 -14.282
69 HZ2 LYS 9 2HZ LYS 9 6.028 -2.773 -13.073
70 HZ3 LYS 9 3HZ LYS 9 6.553 -2.137 -14.532
71 H SER 10 H SER 10 5.050 -1.367 -6.482
72 HA SER 10 HA SER 10 6.867 -1.336 -5.192
73 HB2 SER 10 2HB SER 10 7.101 -3.717 -5.467
74 HB3 SER 10 1HB SER 10 7.806 -3.527 -7.063
75 HG SER 10 HG SER 10 8.971 -3.052 -4.514
76 H TRP 11 H TRP 11 7.391 0.656 -5.415
77 HA TRP 11 HA TRP 11 9.389 1.445 -7.427
78 HB2 TRP 11 2HB TRP 11 7.588 3.261 -5.787
79 HB3 TRP 11 1HB TRP 11 8.512 3.685 -7.222
80 HD1 TRP 11 HD TRP 11 7.462 2.936 -9.605
81 HE1 TRP 11 1HE TRP 11 5.042 2.330 -10.289
82 HE3 TRP 11 3HE TRP 11 5.446 2.188 -4.968
83 HZ2 TRP 11 2HZ TRP 11 2.627 1.634 -9.034
84 HZ3 TRP 11 3HZ TRP 11 3.076 1.555 -4.800
85 HH2 TRP 11 HH TRP 11 1.700 1.287 -6.796
86 H ASN 12 H ASN 12 11.337 1.166 -6.300
87 HA ASN 12 HA ASN 12 11.083 1.498 -3.450
88 HB2 ASN 12 2HB ASN 12 13.311 0.104 -4.921
89 HB3 ASN 12 1HB ASN 12 13.161 0.229 -3.172
90 HD21 ASN 12 1HD2 ASN 12 11.415 -0.942 -2.131
91 HD22 ASN 12 2HD2 ASN 12 10.637 -2.246 -2.934
92 H GLY 13 H GLY 13 10.997 3.746 -3.785
93 HA2 GLY 13 2HA GLY 13 13.592 5.032 -3.930
94 HA3 GLY 13 1HA GLY 13 12.058 5.808 -3.475
95 H LYS 14 H LYS 14 11.159 5.389 -1.415
96 HA LYS 14 HA LYS 14 12.642 3.740 0.398
97 HB2 LYS 14 2HB LYS 14 13.345 6.120 0.747
98 HB3 LYS 14 1HB LYS 14 11.644 6.508 0.992
99 HG2 LYS 14 2HG LYS 14 12.713 6.382 3.063
100 HG3 LYS 14 1HG LYS 14 11.601 5.022 2.939
101 HD2 LYS 14 2HD LYS 14 13.511 3.551 2.326
102 HD3 LYS 14 1HD LYS 14 14.599 4.917 2.530
103 HE2 LYS 14 2HE LYS 14 14.652 3.507 4.511
104 HE3 LYS 14 1HE LYS 14 13.955 5.076 4.895
105 HZ1 LYS 14 1HZ LYS 14 11.732 4.051 4.806
106 HZ2 LYS 14 2HZ LYS 14 12.717 3.329 5.928
107 HZ3 LYS 14 3HZ LYS 14 12.426 2.536 4.492
108 H CYS 15 H CYS 15 11.175 2.575 1.507
109 HA CYS 15 HA CYS 15 8.413 2.948 0.855
110 HB2 CYS 15 2HB CYS 15 9.326 0.708 0.888
111 HB3 CYS 15 1HB CYS 15 9.842 0.916 2.553
112 H PHE 16 H PHE 16 7.488 4.575 1.870
113 HA PHE 16 HA PHE 16 7.832 4.871 4.754
114 HB2 PHE 16 2HB PHE 16 6.627 6.675 2.656
115 HB3 PHE 16 1HB PHE 16 6.630 7.040 4.372
116 HD1 PHE 16 1HD PHE 16 9.036 7.104 5.459
117 HD2 PHE 16 2HD PHE 16 8.243 7.525 1.296
118 HE1 PHE 16 1HE PHE 16 11.171 8.285 5.172
119 HE2 PHE 16 2HE PHE 16 10.363 8.696 1.001
120 HZ PHE 16 HZ PHE 16 11.846 9.083 2.943
121 H HIS 17 H HIS 17 6.324 3.778 5.862
122 HA HIS 17 HA HIS 17 4.070 2.626 4.628
123 HB2 HIS 17 2HB HIS 17 3.404 1.782 6.796
124 HB3 HIS 17 1HB HIS 17 5.149 1.658 6.660
125 HD1 HIS 17 1HD HIS 17 2.437 3.326 8.642
126 HD2 HIS 17 2HD HIS 17 6.591 3.313 8.454
127 HE1 HIS 17 1HE HIS 17 3.218 4.450 10.734
128 H LYS 18 H LYS 18 4.456 5.515 6.537
129 HA LYS 18 HA LYS 18 1.711 6.105 6.858
130 HB2 LYS 18 2HB LYS 18 3.336 7.089 8.323
131 HB3 LYS 18 1HB LYS 18 4.206 7.801 6.987
132 HG2 LYS 18 2HG LYS 18 3.006 9.496 8.185
133 HG3 LYS 18 1HG LYS 18 2.307 9.304 6.580
134 HD2 LYS 18 2HD LYS 18 0.488 7.999 7.501
135 HD3 LYS 18 1HD LYS 18 1.210 8.086 9.111
136 HE2 LYS 18 2HE LYS 18 0.999 10.528 9.061
137 HE3 LYS 18 1HE LYS 18 0.278 10.418 7.458
138 HZ1 LYS 18 1HZ LYS 18 -1.382 10.677 9.181
139 HZ2 LYS 18 2HZ LYS 18 -0.852 9.263 9.939
140 HZ3 LYS 18 3HZ LYS 18 -1.557 9.190 8.398
141 H LYS 19 H LYS 19 4.146 7.345 4.602
142 HA LYS 19 HA LYS 19 2.484 9.011 3.098
143 HB2 LYS 19 2HB LYS 19 4.956 9.020 2.962
144 HB3 LYS 19 1HB LYS 19 4.880 7.456 2.160
145 HG2 LYS 19 2HG LYS 19 3.620 8.470 0.328
146 HG3 LYS 19 1HG LYS 19 3.785 10.045 1.094
147 HD2 LYS 19 2HD LYS 19 6.260 9.752 0.990
148 HD3 LYS 19 1HD LYS 19 5.994 8.273 0.065
149 HE2 LYS 19 2HE LYS 19 6.409 10.035 -1.508
150 HE3 LYS 19 1HE LYS 19 4.701 9.627 -1.575
151 HZ1 LYS 19 1HZ LYS 19 5.066 11.996 -1.580
152 HZ2 LYS 19 2HZ LYS 19 5.842 11.920 -0.090
153 HZ3 LYS 19 3HZ LYS 19 4.196 11.541 -0.210
154 H CYS 20 H CYS 20 3.523 5.669 2.451
155 HA CYS 20 HA CYS 20 2.081 5.441 0.066
156 HB2 CYS 20 2HB CYS 20 4.035 4.074 0.527
157 HB3 CYS 20 1HB CYS 20 3.192 3.281 1.852
158 H ASN 21 H ASN 21 1.216 4.734 3.406
159 HA ASN 21 HA ASN 21 -1.054 3.176 2.956
160 HB2 ASN 21 2HB ASN 21 -0.099 3.461 5.184
161 HB3 ASN 21 1HB ASN 21 -0.520 5.166 5.168
162 HD21 ASN 21 1HD2 ASN 21 -2.581 5.777 5.757
163 HD22 ASN 21 2HD2 ASN 21 -3.751 4.629 6.279
164 H HIS 22 H HIS 22 -0.760 6.676 3.280
165 HA HIS 22 HA HIS 22 -3.537 7.023 2.696
166 HB2 HIS 22 2HB HIS 22 -1.321 9.068 2.970
167 HB3 HIS 22 1HB HIS 22 -3.017 9.477 2.720
168 HD1 HIS 22 1HD HIS 22 -4.659 9.049 4.757
169 HD2 HIS 22 2HD HIS 22 -0.655 8.228 5.518
170 HE1 HIS 22 1HE HIS 22 -4.493 8.732 7.230
171 H TRP 23 H TRP 23 -0.591 7.026 0.890
172 HA TRP 23 HA TRP 23 -1.433 8.190 -1.528
173 HB2 TRP 23 2HB TRP 23 0.932 7.582 -1.040
174 HB3 TRP 23 1HB TRP 23 0.478 5.887 -1.067
175 HD1 TRP 23 HD TRP 23 0.268 4.705 -3.443
176 HE1 TRP 23 1HE TRP 23 0.997 5.394 -5.809
177 HE3 TRP 23 3HE TRP 23 1.119 9.674 -2.591
178 HZ2 TRP 23 2HZ TRP 23 1.833 7.760 -7.139
179 HZ3 TRP 23 3HZ TRP 23 1.879 11.078 -4.457
180 HH2 TRP 23 HH TRP 23 2.229 10.137 -6.685
181 H CYS 24 H CYS 24 -1.304 4.749 -0.599
182 HA CYS 24 HA CYS 24 -2.822 3.918 -2.782
183 HB2 CYS 24 2HB CYS 24 -2.002 2.602 -0.235
184 HB3 CYS 24 1HB CYS 24 -3.167 1.784 -1.261
185 H MET 25 H MET 25 -3.828 4.710 0.523
186 HA MET 25 HA MET 25 -6.467 3.842 0.371
187 HB2 MET 25 2HB MET 25 -5.375 4.606 2.446
188 HB3 MET 25 1HB MET 25 -5.419 6.259 1.850
189 HG2 MET 25 2HG MET 25 -7.885 6.141 1.802
190 HG3 MET 25 1HG MET 25 -7.789 4.525 2.496
191 HE1 MET 25 1HE MET 25 -6.218 5.296 6.035
192 HE2 MET 25 2HE MET 25 -5.283 4.995 4.576
193 HE3 MET 25 3HE MET 25 -6.722 4.033 4.910
194 H GLU 26 H GLU 26 -5.128 7.014 -0.498
195 HA GLU 26 HA GLU 26 -7.708 8.002 -1.304
196 HB2 GLU 26 2HB GLU 26 -5.985 9.413 -0.204
197 HB3 GLU 26 1HB GLU 26 -4.962 9.215 -1.614
198 HG2 GLU 26 2HG GLU 26 -6.035 11.354 -1.702
199 HG3 GLU 26 1HG GLU 26 -6.686 10.326 -2.978
200 H LYS 27 H LYS 27 -4.582 7.532 -2.985
201 HA LYS 27 HA LYS 27 -5.679 8.154 -5.519
202 HB2 LYS 27 2HB LYS 27 -3.406 8.673 -5.062
203 HB3 LYS 27 1HB LYS 27 -3.033 6.984 -4.749
204 HG2 LYS 27 2HG LYS 27 -3.437 6.415 -7.042
205 HG3 LYS 27 1HG LYS 27 -3.973 8.059 -7.394
206 HD2 LYS 27 2HD LYS 27 -1.831 8.924 -6.933
207 HD3 LYS 27 1HD LYS 27 -1.297 7.349 -6.329
208 HE2 LYS 27 2HE LYS 27 -2.202 7.865 -9.162
209 HE3 LYS 27 1HE LYS 27 -0.510 7.894 -8.673
210 HZ1 LYS 27 1HZ LYS 27 -2.266 5.489 -8.322
211 HZ2 LYS 27 2HZ LYS 27 -0.594 5.602 -8.136
212 HZ3 LYS 27 3HZ LYS 27 -1.267 5.775 -9.649
213 H GLU 28 H GLU 28 -4.861 5.027 -3.985
214 HA GLU 28 HA GLU 28 -5.496 3.721 -6.529
215 HB2 GLU 28 2HB GLU 28 -4.405 2.558 -3.966
216 HB3 GLU 28 1HB GLU 28 -4.481 1.769 -5.533
217 HG2 GLU 28 2HG GLU 28 -2.840 4.224 -4.952
218 HG3 GLU 28 1HG GLU 28 -2.221 2.577 -4.891
219 H ASP 29 H ASP 29 -6.980 4.740 -3.835
220 HA ASP 29 HA ASP 29 -8.658 4.221 -2.477
221 HB2 ASP 29 2HB ASP 29 -9.956 4.509 -4.592
222 HB3 ASP 29 1HB ASP 29 -9.840 2.772 -4.866
223 H ALA 30 H ALA 30 -7.377 3.050 -1.191
224 HA ALA 30 HA ALA 30 -7.833 0.147 -1.246
225 HB1 ALA 30 1HB ALA 30 -5.317 1.593 -0.405
226 HB2 ALA 30 2HB ALA 30 -5.516 0.642 -1.877
227 HB3 ALA 30 3HB ALA 30 -5.586 -0.146 -0.302
228 H LYS 31 H LYS 31 -7.309 -0.743 0.969
229 HA LYS 31 HA LYS 31 -8.753 0.844 2.885
230 HB2 LYS 31 2HB LYS 31 -7.646 -1.962 3.021
231 HB3 LYS 31 1HB LYS 31 -8.476 -1.180 4.363
232 HG2 LYS 31 2HG LYS 31 -10.464 -0.905 2.953
233 HG3 LYS 31 1HG LYS 31 -9.613 -1.735 1.652
234 HD2 LYS 31 2HD LYS 31 -9.549 -3.763 2.860
235 HD3 LYS 31 1HD LYS 31 -10.099 -2.989 4.343
236 HE2 LYS 31 2HE LYS 31 -11.678 -3.259 1.795
237 HE3 LYS 31 1HE LYS 31 -11.913 -4.227 3.256
238 HZ1 LYS 31 1HZ LYS 31 -12.485 -2.157 4.423
239 HZ2 LYS 31 2HZ LYS 31 -13.532 -2.487 3.168
240 HZ3 LYS 31 3HZ LYS 31 -12.367 -1.289 2.981
241 H TYR 32 H TYR 32 -5.613 -0.846 2.927
242 HA TYR 32 HA TYR 32 -4.469 1.472 4.158
243 HB2 TYR 32 2HB TYR 32 -3.572 0.199 6.104
244 HB3 TYR 32 1HB TYR 32 -5.309 0.448 6.143
245 HD1 TYR 32 1HD TYR 32 -6.826 -1.441 5.823
246 HD2 TYR 32 2HD TYR 32 -2.624 -2.029 5.945
247 HE1 TYR 32 1HE TYR 32 -7.188 -3.819 6.190
248 HE2 TYR 32 2HE TYR 32 -2.968 -4.422 6.307
249 HH TYR 32 HH TYR 32 -4.776 -5.856 7.251
250 H GLY 33 H GLY 33 -2.263 1.475 4.197
251 HA2 GLY 33 2HA GLY 33 -1.000 -0.586 2.526
252 HA3 GLY 33 1HA GLY 33 -0.516 1.112 2.514
253 H SER 34 H SER 34 0.790 -1.523 3.310
254 HA SER 34 HA SER 34 1.879 -0.508 5.827
255 HB2 SER 34 2HB SER 34 1.244 -3.415 5.218
256 HB3 SER 34 1HB SER 34 1.958 -2.786 6.706
257 HG SER 34 HG SER 34 -0.226 -1.406 6.289
258 H CYS 35 H CYS 35 4.146 -1.029 6.097
259 HA CYS 35 HA CYS 35 5.401 -1.547 3.531
260 HB2 CYS 35 2HB CYS 35 5.979 0.509 4.899
261 HB3 CYS 35 1HB CYS 35 6.685 -0.584 6.086
262 H SER 36 H SER 36 6.526 -3.370 3.197
263 HA SER 36 HA SER 36 6.965 -5.101 5.496
264 HB2 SER 36 2HB SER 36 4.987 -5.821 4.166
265 HB3 SER 36 1HB SER 36 6.013 -5.931 2.741
266 HG SER 36 HG SER 36 6.221 -7.895 3.399
267 H HIS 37 H HIS 37 9.091 -4.863 5.699
268 HA HIS 37 HA HIS 37 11.304 -5.204 5.410
269 HB2 HIS 37 2HB HIS 37 10.595 -7.429 4.594
270 HB3 HIS 37 1HB HIS 37 10.458 -6.795 2.965
271 HD1 HIS 37 1HD HIS 37 12.537 -7.016 1.525
272 HD2 HIS 37 2HD HIS 37 13.339 -7.496 5.576
273 HE1 HIS 37 1HE HIS 37 14.929 -7.766 1.668
274 H GLY 38 H GLY 38 9.681 -3.149 3.612
275 HA2 GLY 38 2HA GLY 38 11.018 -1.200 2.860
276 HA3 GLY 38 1HA GLY 38 12.042 -2.354 2.025
277 H ASP 39 H ASP 39 8.997 -3.527 1.643
278 HA ASP 39 HA ASP 39 8.441 -1.788 -0.661
279 HB2 ASP 39 2HB ASP 39 7.878 -4.729 -0.328
280 HB3 ASP 39 1HB ASP 39 7.076 -3.763 -1.543
281 H CYS 40 H CYS 40 6.304 -1.208 -0.998
282 HA CYS 40 HA CYS 40 4.753 -1.377 1.443
283 HB2 CYS 40 2HB CYS 40 5.159 0.859 0.576
284 HB3 CYS 40 1HB CYS 40 4.426 0.410 -0.961
285 H TYR 41 H TYR 41 3.029 -2.508 1.595
286 HA TYR 41 HA TYR 41 1.877 -3.715 -0.801
287 HB2 TYR 41 2HB TYR 41 2.178 -4.711 2.024
288 HB3 TYR 41 1HB TYR 41 0.983 -5.397 0.934
289 HD1 TYR 41 1HD TYR 41 4.722 -4.618 0.942
290 HD2 TYR 41 2HD TYR 41 1.565 -7.263 -0.228
291 HE1 TYR 41 1HE TYR 41 6.347 -6.184 0.062
292 HE2 TYR 41 2HE TYR 41 3.215 -8.816 -1.118
293 HH TYR 41 HH TYR 41 6.530 -8.520 -0.466
294 H CYS 42 H CYS 42 -0.094 -3.109 -1.256
295 HA CYS 42 HA CYS 42 -1.521 -1.566 0.760
296 HB2 CYS 42 2HB CYS 42 -1.754 -1.449 -2.258
297 HB3 CYS 42 1HB CYS 42 -2.628 -0.423 -1.115
298 H TYR 43 H TYR 43 -3.245 -2.374 1.580
299 HA TYR 43 HA TYR 43 -4.200 -4.906 0.554
300 HB2 TYR 43 2HB TYR 43 -4.551 -3.530 3.218
301 HB3 TYR 43 1HB TYR 43 -5.362 -5.031 2.791
302 HD1 TYR 43 1HD TYR 43 -1.891 -3.577 2.927
303 HD2 TYR 43 2HD TYR 43 -4.334 -7.038 3.362
304 HE1 TYR 43 1HE TYR 43 0.062 -4.849 3.656
305 HE2 TYR 43 2HE TYR 43 -2.373 -8.325 4.097
306 HH TYR 43 HH TYR 43 0.563 -6.924 4.983
307 H TYR 44 H TYR 44 -5.999 -5.194 -0.364
308 HA TYR 44 HA TYR 44 -8.086 -3.107 -0.334
309 HB2 TYR 44 2HB TYR 44 -7.398 -5.053 -2.561
310 HB3 TYR 44 1HB TYR 44 -8.662 -3.841 -2.607
311 HD1 TYR 44 1HD TYR 44 -5.081 -4.474 -2.887
312 HD2 TYR 44 2HD TYR 44 -8.095 -1.488 -2.982
313 HE1 TYR 44 1HE TYR 44 -3.508 -2.929 -3.943
314 HE2 TYR 44 2HE TYR 44 -6.547 0.066 -4.025
315 HH TYR 44 HH TYR 44 -4.076 0.373 -4.218
316 H HIS 45 H HIS 45 -10.214 -4.299 -1.045
317 HA HIS 45 HA HIS 45 -10.322 -6.850 0.388
318 HB2 HIS 45 2HB HIS 45 -12.757 -6.552 0.503
319 HB3 HIS 45 1HB HIS 45 -11.945 -5.159 1.196
320 HD1 HIS 45 1HD HIS 45 -14.223 -6.173 -1.612
321 HD2 HIS 45 2HD HIS 45 -12.237 -2.773 -0.291
322 HE1 HIS 45 1HE HIS 45 -15.170 -4.255 -2.923
323 H CYS 46 H CYS 46 -10.813 -8.662 -0.667
324 HA CYS 46 HA CYS 46 -11.365 -8.476 -3.502
325 HB2 CYS 46 2HB CYS 46 -10.830 -10.881 -1.737
326 HB3 CYS 46 1HB CYS 46 -11.136 -10.966 -3.467
Start of MODEL 8
1 H1 ALA 1 H ALA 1 -14.579 -12.529 4.439
2 HA ALA 1 HA ALA 1 -13.132 -10.640 4.335
3 HB1 ALA 1 1HB ALA 1 -13.585 -11.234 6.673
4 HB2 ALA 1 2HB ALA 1 -11.967 -10.557 6.483
5 HB3 ALA 1 3HB ALA 1 -12.177 -12.294 6.671
6 H LYS 2 H LYS 2 -11.768 -10.625 2.576
7 HA LYS 2 HA LYS 2 -9.174 -11.882 3.068
8 HB2 LYS 2 2HB LYS 2 -10.438 -13.191 1.386
9 HB3 LYS 2 1HB LYS 2 -10.549 -11.751 0.381
10 HG2 LYS 2 2HG LYS 2 -8.795 -13.139 -0.469
11 HG3 LYS 2 1HG LYS 2 -8.056 -11.721 0.280
12 HD2 LYS 2 2HD LYS 2 -7.691 -13.067 2.341
13 HD3 LYS 2 1HD LYS 2 -8.319 -14.472 1.488
14 HE2 LYS 2 2HE LYS 2 -5.922 -14.531 1.460
15 HE3 LYS 2 1HE LYS 2 -6.508 -14.220 -0.172
16 HZ1 LYS 2 1HZ LYS 2 -5.950 -11.891 0.097
17 HZ2 LYS 2 2HZ LYS 2 -4.620 -12.845 0.427
18 HZ3 LYS 2 3HZ LYS 2 -5.467 -12.141 1.692
19 H HIS 3 H HIS 3 -7.959 -10.174 3.499
20 HA HIS 3 HA HIS 3 -8.234 -7.795 1.951
21 HB2 HIS 3 2HB HIS 3 -6.342 -8.585 4.151
22 HB3 HIS 3 1HB HIS 3 -6.053 -7.143 3.181
23 HD1 HIS 3 1HD HIS 3 -7.562 -8.012 6.288
24 HD2 HIS 3 2HD HIS 3 -8.591 -5.536 3.110
25 HE1 HIS 3 1HE HIS 3 -9.189 -6.335 7.212
26 H CYS 4 H CYS 4 -7.014 -7.101 0.392
27 HA CYS 4 HA CYS 4 -5.155 -9.060 -0.704
28 HB2 CYS 4 2HB CYS 4 -7.234 -7.394 -2.123
29 HB3 CYS 4 1HB CYS 4 -5.973 -8.277 -2.983
30 H GLY 5 H GLY 5 -3.253 -8.309 -0.370
31 HA2 GLY 5 2HA GLY 5 -2.690 -5.489 -0.250
32 HA3 GLY 5 1HA GLY 5 -1.555 -6.807 0.009
33 H LYS 6 H LYS 6 -1.985 -4.312 -1.801
34 HA LYS 6 HA LYS 6 -1.642 -5.279 -4.417
35 HB2 LYS 6 2HB LYS 6 -2.435 -3.069 -3.872
36 HB3 LYS 6 1HB LYS 6 -0.843 -2.631 -3.245
37 HG2 LYS 6 2HG LYS 6 0.103 -2.835 -5.471
38 HG3 LYS 6 1HG LYS 6 -1.440 -3.405 -6.104
39 HD2 LYS 6 2HD LYS 6 -1.271 -1.114 -6.699
40 HD3 LYS 6 1HD LYS 6 -2.436 -1.211 -5.392
41 HE2 LYS 6 2HE LYS 6 -1.047 0.692 -4.978
42 HE3 LYS 6 1HE LYS 6 -0.598 -0.539 -3.807
43 HZ1 LYS 6 1HZ LYS 6 0.882 0.078 -6.312
44 HZ2 LYS 6 2HZ LYS 6 1.367 -1.052 -5.176
45 HZ3 LYS 6 3HZ LYS 6 1.335 0.576 -4.791
46 H HIS 7 H HIS 7 0.007 -6.116 -5.242
47 HA HIS 7 HA HIS 7 2.515 -6.278 -3.824
48 HB2 HIS 7 2HB HIS 7 1.572 -8.229 -5.061
49 HB3 HIS 7 1HB HIS 7 1.761 -7.335 -6.565
50 HD1 HIS 7 1HD HIS 7 3.845 -7.939 -7.801
51 HD2 HIS 7 2HD HIS 7 4.217 -8.528 -3.702
52 HE1 HIS 7 1HE HIS 7 6.116 -8.963 -7.440
53 H SER 8 H SER 8 4.319 -5.143 -4.298
54 HA SER 8 HA SER 8 3.958 -2.732 -5.700
55 HB2 SER 8 2HB SER 8 6.466 -3.922 -4.520
56 HB3 SER 8 1HB SER 8 6.210 -2.231 -4.959
57 HG SER 8 HG SER 8 4.224 -2.729 -3.435
58 H LYS 9 H LYS 9 3.725 -3.003 -7.881
59 HA LYS 9 HA LYS 9 5.706 -4.474 -9.349
60 HB2 LYS 9 2HB LYS 9 4.668 -3.575 -11.416
61 HB3 LYS 9 1HB LYS 9 3.490 -4.327 -10.363
62 HG2 LYS 9 2HG LYS 9 2.681 -2.141 -9.684
63 HG3 LYS 9 1HG LYS 9 3.930 -1.360 -10.661
64 HD2 LYS 9 2HD LYS 9 2.989 -2.321 -12.685
65 HD3 LYS 9 1HD LYS 9 1.793 -3.203 -11.744
66 HE2 LYS 9 2HE LYS 9 2.007 -0.191 -11.896
67 HE3 LYS 9 1HE LYS 9 0.885 -1.166 -12.835
68 HZ1 LYS 9 1HZ LYS 9 -0.212 -0.256 -10.927
69 HZ2 LYS 9 2HZ LYS 9 0.930 -0.892 -9.877
70 HZ3 LYS 9 3HZ LYS 9 -0.103 -1.926 -10.726
71 H SER 10 H SER 10 5.248 -1.314 -8.161
72 HA SER 10 HA SER 10 7.510 -0.239 -9.518
73 HB2 SER 10 2HB SER 10 7.047 1.636 -7.832
74 HB3 SER 10 1HB SER 10 5.742 1.291 -8.970
75 HG SER 10 HG SER 10 6.001 0.399 -6.310
76 H TRP 11 H TRP 11 9.126 -1.641 -8.980
77 HA TRP 11 HA TRP 11 9.643 -2.640 -6.363
78 HB2 TRP 11 2HB TRP 11 10.356 -3.879 -8.349
79 HB3 TRP 11 1HB TRP 11 11.389 -2.543 -8.834
80 HD1 TRP 11 HD TRP 11 13.772 -2.361 -7.688
81 HE1 TRP 11 1HE TRP 11 15.139 -3.945 -6.205
82 HE3 TRP 11 3HE TRP 11 10.083 -5.684 -6.442
83 HZ2 TRP 11 2HZ TRP 11 14.717 -6.301 -4.699
84 HZ3 TRP 11 3HZ TRP 11 10.655 -7.575 -4.974
85 HH2 TRP 11 HH TRP 11 12.922 -7.875 -4.125
86 H ASN 12 H ASN 12 11.008 -0.086 -8.346
87 HA ASN 12 HA ASN 12 12.805 0.693 -6.233
88 HB2 ASN 12 2HB ASN 12 13.516 0.924 -8.592
89 HB3 ASN 12 1HB ASN 12 12.209 2.061 -8.878
90 HD21 ASN 12 1HD2 ASN 12 15.143 2.310 -9.102
91 HD22 ASN 12 2HD2 ASN 12 15.572 3.676 -8.130
92 H GLY 13 H GLY 13 11.857 1.483 -4.522
93 HA2 GLY 13 2HA GLY 13 10.749 4.048 -4.559
94 HA3 GLY 13 1HA GLY 13 9.465 2.852 -4.391
95 H LYS 14 H LYS 14 11.159 4.868 -2.630
96 HA LYS 14 HA LYS 14 12.001 3.148 -0.502
97 HB2 LYS 14 2HB LYS 14 13.042 5.373 -0.941
98 HB3 LYS 14 1HB LYS 14 11.490 6.102 -0.494
99 HG2 LYS 14 2HG LYS 14 11.693 5.326 1.750
100 HG3 LYS 14 1HG LYS 14 13.154 4.420 1.360
101 HD2 LYS 14 2HD LYS 14 14.299 6.518 0.825
102 HD3 LYS 14 1HD LYS 14 12.835 7.416 1.219
103 HE2 LYS 14 2HE LYS 14 12.939 6.627 3.518
104 HE3 LYS 14 1HE LYS 14 14.364 5.662 3.140
105 HZ1 LYS 14 1HZ LYS 14 15.579 7.682 2.676
106 HZ2 LYS 14 2HZ LYS 14 14.931 7.756 4.226
107 HZ3 LYS 14 3HZ LYS 14 14.219 8.629 2.979
108 H CYS 15 H CYS 15 10.789 2.448 1.054
109 HA CYS 15 HA CYS 15 7.974 3.059 0.925
110 HB2 CYS 15 2HB CYS 15 8.713 0.713 1.083
111 HB3 CYS 15 1HB CYS 15 9.385 1.049 2.676
112 H PHE 16 H PHE 16 7.044 4.485 2.094
113 HA PHE 16 HA PHE 16 8.127 5.229 4.718
114 HB2 PHE 16 2HB PHE 16 6.485 6.767 2.691
115 HB3 PHE 16 1HB PHE 16 6.795 7.336 4.323
116 HD1 PHE 16 1HD PHE 16 8.321 6.670 0.991
117 HD2 PHE 16 2HD PHE 16 8.849 8.389 4.862
118 HE1 PHE 16 1HE PHE 16 10.276 7.876 0.188
119 HE2 PHE 16 2HE PHE 16 10.825 9.581 4.054
120 HZ PHE 16 HZ PHE 16 11.543 9.333 1.707
121 H HIS 17 H HIS 17 6.722 4.728 6.384
122 HA HIS 17 HA HIS 17 4.564 2.982 5.864
123 HB2 HIS 17 2HB HIS 17 5.431 4.342 8.416
124 HB3 HIS 17 1HB HIS 17 4.026 3.296 8.351
125 HD1 HIS 17 1HD HIS 17 4.552 1.026 9.135
126 HD2 HIS 17 2HD HIS 17 7.821 2.797 7.296
127 HE1 HIS 17 1HE HIS 17 6.428 -0.653 9.308
128 H LYS 18 H LYS 18 4.387 6.233 7.300
129 HA LYS 18 HA LYS 18 1.583 6.334 7.321
130 HB2 LYS 18 2HB LYS 18 2.962 7.771 8.747
131 HB3 LYS 18 1HB LYS 18 3.601 8.589 7.339
132 HG2 LYS 18 2HG LYS 18 1.418 9.497 6.824
133 HG3 LYS 18 1HG LYS 18 0.712 8.632 8.188
134 HD2 LYS 18 2HD LYS 18 2.098 9.904 9.732
135 HD3 LYS 18 1HD LYS 18 2.881 10.722 8.380
136 HE2 LYS 18 2HE LYS 18 1.187 12.174 9.351
137 HE3 LYS 18 1HE LYS 18 0.715 11.685 7.732
138 HZ1 LYS 18 1HZ LYS 18 -1.117 11.607 9.316
139 HZ2 LYS 18 2HZ LYS 18 -0.321 10.451 10.234
140 HZ3 LYS 18 3HZ LYS 18 -0.827 10.091 8.670
141 H LYS 19 H LYS 19 3.953 7.527 5.037
142 HA LYS 19 HA LYS 19 2.148 8.808 3.305
143 HB2 LYS 19 2HB LYS 19 4.744 8.930 3.408
144 HB3 LYS 19 1HB LYS 19 4.695 7.516 2.374
145 HG2 LYS 19 2HG LYS 19 3.405 10.145 1.664
146 HG3 LYS 19 1HG LYS 19 5.048 9.717 1.212
147 HD2 LYS 19 2HD LYS 19 2.565 8.194 0.419
148 HD3 LYS 19 1HD LYS 19 3.378 9.381 -0.601
149 HE2 LYS 19 2HE LYS 19 5.413 7.957 -0.555
150 HE3 LYS 19 1HE LYS 19 4.537 6.786 0.425
151 HZ1 LYS 19 1HZ LYS 19 4.574 6.186 -1.921
152 HZ2 LYS 19 2HZ LYS 19 3.773 7.597 -2.328
153 HZ3 LYS 19 3HZ LYS 19 3.010 6.428 -1.383
154 H CYS 20 H CYS 20 3.414 5.461 3.347
155 HA CYS 20 HA CYS 20 2.251 4.505 1.001
156 HB2 CYS 20 2HB CYS 20 3.884 3.206 2.346
157 HB3 CYS 20 1HB CYS 20 2.697 3.036 3.627
158 H ASN 21 H ASN 21 0.972 4.638 4.293
159 HA ASN 21 HA ASN 21 -1.536 3.506 3.798
160 HB2 ASN 21 2HB ASN 21 -0.693 3.825 6.063
161 HB3 ASN 21 1HB ASN 21 -0.755 5.573 5.864
162 HD21 ASN 21 1HD2 ASN 21 -2.741 6.639 6.063
163 HD22 ASN 21 2HD2 ASN 21 -4.158 5.834 6.589
164 H HIS 22 H HIS 22 -0.707 6.964 4.006
165 HA HIS 22 HA HIS 22 -3.337 7.792 3.359
166 HB2 HIS 22 2HB HIS 22 -0.761 9.348 3.410
167 HB3 HIS 22 1HB HIS 22 -2.312 10.087 3.033
168 HD1 HIS 22 1HD HIS 22 -3.842 10.669 5.039
169 HD2 HIS 22 2HD HIS 22 -0.513 8.390 6.050
170 HE1 HIS 22 1HE HIS 22 -3.775 10.617 7.539
171 H TRP 23 H TRP 23 -0.518 7.279 1.360
172 HA TRP 23 HA TRP 23 -1.596 8.530 -0.944
173 HB2 TRP 23 2HB TRP 23 0.807 8.164 -0.680
174 HB3 TRP 23 1HB TRP 23 0.560 6.423 -0.713
175 HD1 TRP 23 HD TRP 23 0.599 5.293 -3.057
176 HE1 TRP 23 1HE TRP 23 0.836 6.162 -5.471
177 HE3 TRP 23 3HE TRP 23 0.047 10.301 -2.186
178 HZ2 TRP 23 2HZ TRP 23 0.778 8.630 -6.822
179 HZ3 TRP 23 3HZ TRP 23 0.145 11.839 -4.098
180 HH2 TRP 23 HH TRP 23 0.503 11.011 -6.363
181 H CYS 24 H CYS 24 -1.265 5.085 -0.033
182 HA CYS 24 HA CYS 24 -2.647 4.296 -2.313
183 HB2 CYS 24 2HB CYS 24 -1.804 2.846 0.140
184 HB3 CYS 24 1HB CYS 24 -2.913 2.084 -1.001
185 H MET 25 H MET 25 -3.840 4.855 0.969
186 HA MET 25 HA MET 25 -6.374 3.733 0.582
187 HB2 MET 25 2HB MET 25 -5.450 4.358 2.795
188 HB3 MET 25 1HB MET 25 -5.633 6.054 2.378
189 HG2 MET 25 2HG MET 25 -8.075 5.720 2.208
190 HG3 MET 25 1HG MET 25 -7.851 4.045 2.693
191 HE1 MET 25 1HE MET 25 -9.525 5.680 5.839
192 HE2 MET 25 2HE MET 25 -9.637 4.406 4.623
193 HE3 MET 25 3HE MET 25 -9.824 6.094 4.150
194 H GLU 26 H GLU 26 -5.111 6.851 -0.314
195 HA GLU 26 HA GLU 26 -7.763 7.775 -1.092
196 HB2 GLU 26 2HB GLU 26 -6.239 9.319 0.099
197 HB3 GLU 26 1HB GLU 26 -5.103 9.194 -1.232
198 HG2 GLU 26 2HG GLU 26 -6.770 10.169 -2.738
199 HG3 GLU 26 1HG GLU 26 -7.887 10.327 -1.381
200 H LYS 27 H LYS 27 -4.549 7.603 -2.613
201 HA LYS 27 HA LYS 27 -5.608 8.209 -5.179
202 HB2 LYS 27 2HB LYS 27 -3.399 8.977 -4.277
203 HB3 LYS 27 1HB LYS 27 -2.826 7.332 -4.373
204 HG2 LYS 27 2HG LYS 27 -3.727 8.901 -6.788
205 HG3 LYS 27 1HG LYS 27 -2.074 8.919 -6.189
206 HD2 LYS 27 2HD LYS 27 -1.986 6.469 -6.503
207 HD3 LYS 27 1HD LYS 27 -3.615 6.524 -7.173
208 HE2 LYS 27 2HE LYS 27 -1.178 7.901 -8.283
209 HE3 LYS 27 1HE LYS 27 -1.937 6.455 -8.933
210 HZ1 LYS 27 1HZ LYS 27 -3.963 7.818 -9.321
211 HZ2 LYS 27 2HZ LYS 27 -2.630 8.323 -10.194
212 HZ3 LYS 27 3HZ LYS 27 -3.103 9.187 -8.841
213 H GLU 28 H GLU 28 -4.561 5.200 -3.579
214 HA GLU 28 HA GLU 28 -4.819 3.842 -6.143
215 HB2 GLU 28 2HB GLU 28 -3.816 2.890 -3.459
216 HB3 GLU 28 1HB GLU 28 -3.957 1.860 -4.873
217 HG2 GLU 28 2HG GLU 28 -2.270 4.346 -4.777
218 HG3 GLU 28 1HG GLU 28 -1.660 2.728 -4.437
219 H ASP 29 H ASP 29 -6.753 4.763 -3.715
220 HA ASP 29 HA ASP 29 -8.821 4.274 -2.958
221 HB2 ASP 29 2HB ASP 29 -9.342 4.032 -5.418
222 HB3 ASP 29 1HB ASP 29 -9.017 2.311 -5.276
223 H ALA 30 H ALA 30 -6.443 2.691 -2.261
224 HA ALA 30 HA ALA 30 -7.358 0.084 -1.539
225 HB1 ALA 30 1HB ALA 30 -4.971 0.540 -1.898
226 HB2 ALA 30 2HB ALA 30 -5.270 -0.076 -0.272
227 HB3 ALA 30 3HB ALA 30 -4.984 1.647 -0.524
228 H LYS 31 H LYS 31 -7.435 -0.582 0.702
229 HA LYS 31 HA LYS 31 -9.194 1.165 2.174
230 HB2 LYS 31 2HB LYS 31 -8.118 -1.580 2.759
231 HB3 LYS 31 1HB LYS 31 -9.282 -0.724 3.764
232 HG2 LYS 31 2HG LYS 31 -10.905 -0.739 2.019
233 HG3 LYS 31 1HG LYS 31 -9.732 -1.386 0.874
234 HD2 LYS 31 2HD LYS 31 -11.288 -3.078 1.722
235 HD3 LYS 31 1HD LYS 31 -9.606 -3.448 2.092
236 HE2 LYS 31 2HE LYS 31 -11.063 -3.934 3.985
237 HE3 LYS 31 1HE LYS 31 -9.917 -2.657 4.355
238 HZ1 LYS 31 1HZ LYS 31 -12.127 -2.180 5.183
239 HZ2 LYS 31 2HZ LYS 31 -12.780 -2.278 3.641
240 HZ3 LYS 31 3HZ LYS 31 -11.705 -1.028 4.027
241 H TYR 32 H TYR 32 -6.038 -0.331 2.680
242 HA TYR 32 HA TYR 32 -5.182 1.937 4.171
243 HB2 TYR 32 2HB TYR 32 -4.461 0.635 6.167
244 HB3 TYR 32 1HB TYR 32 -6.210 0.743 6.027
245 HD1 TYR 32 1HD TYR 32 -3.296 -1.435 6.139
246 HD2 TYR 32 2HD TYR 32 -7.499 -1.337 5.418
247 HE1 TYR 32 1HE TYR 32 -3.405 -3.857 6.457
248 HE2 TYR 32 2HE TYR 32 -7.612 -3.754 5.732
249 HH TYR 32 HH TYR 32 -6.189 -5.695 5.657
250 H GLY 33 H GLY 33 -2.899 1.916 4.510
251 HA2 GLY 33 2HA GLY 33 -1.544 -0.070 2.831
252 HA3 GLY 33 1HA GLY 33 -1.113 1.647 2.775
253 H SER 34 H SER 34 0.354 -0.815 3.535
254 HA SER 34 HA SER 34 1.346 0.197 6.048
255 HB2 SER 34 2HB SER 34 1.386 -2.182 6.934
256 HB3 SER 34 1HB SER 34 -0.210 -1.433 6.829
257 HG SER 34 HG SER 34 -0.018 -2.457 4.569
258 H CYS 35 H CYS 35 3.509 -0.214 6.305
259 HA CYS 35 HA CYS 35 4.825 -1.092 3.880
260 HB2 CYS 35 2HB CYS 35 5.450 1.020 5.156
261 HB3 CYS 35 1HB CYS 35 6.100 -0.035 6.402
262 H SER 36 H SER 36 5.152 -3.130 3.693
263 HA SER 36 HA SER 36 5.584 -4.788 6.073
264 HB2 SER 36 2HB SER 36 3.489 -5.264 4.834
265 HB3 SER 36 1HB SER 36 4.419 -5.501 3.360
266 HG SER 36 HG SER 36 3.942 -7.460 4.290
267 H HIS 37 H HIS 37 7.662 -5.358 6.249
268 HA HIS 37 HA HIS 37 9.745 -6.132 5.821
269 HB2 HIS 37 2HB HIS 37 8.874 -6.656 2.967
270 HB3 HIS 37 1HB HIS 37 10.253 -7.360 3.791
271 HD1 HIS 37 1HD HIS 37 6.970 -8.185 2.748
272 HD2 HIS 37 2HD HIS 37 9.233 -8.987 6.127
273 HE1 HIS 37 1HE HIS 37 5.922 -10.213 3.803
274 H GLY 38 H GLY 38 8.646 -3.371 4.812
275 HA2 GLY 38 2HA GLY 38 9.962 -1.475 4.256
276 HA3 GLY 38 1HA GLY 38 11.165 -2.555 3.555
277 H ASP 39 H ASP 39 8.014 -3.394 2.681
278 HA ASP 39 HA ASP 39 8.191 -1.920 0.140
279 HB2 ASP 39 2HB ASP 39 6.973 -4.642 0.704
280 HB3 ASP 39 1HB ASP 39 6.904 -3.817 -0.846
281 H CYS 40 H CYS 40 6.169 -1.151 -0.658
282 HA CYS 40 HA CYS 40 4.382 -0.448 1.516
283 HB2 CYS 40 2HB CYS 40 5.190 1.368 0.116
284 HB3 CYS 40 1HB CYS 40 4.597 0.566 -1.327
285 H TYR 41 H TYR 41 2.929 -1.982 1.937
286 HA TYR 41 HA TYR 41 1.568 -3.208 -0.309
287 HB2 TYR 41 2HB TYR 41 2.117 -4.173 2.454
288 HB3 TYR 41 1HB TYR 41 0.668 -4.749 1.635
289 HD1 TYR 41 1HD TYR 41 0.785 -6.376 -0.050
290 HD2 TYR 41 2HD TYR 41 4.368 -4.572 1.365
291 HE1 TYR 41 1HE TYR 41 2.091 -8.021 -1.302
292 HE2 TYR 41 2HE TYR 41 5.684 -6.221 0.113
293 HH TYR 41 HH TYR 41 5.327 -8.565 -0.784
294 H CYS 42 H CYS 42 -0.119 -2.398 -0.879
295 HA CYS 42 HA CYS 42 -1.792 -0.812 0.917
296 HB2 CYS 42 2HB CYS 42 -1.845 -1.086 -2.077
297 HB3 CYS 42 1HB CYS 42 -2.596 0.197 -1.147
298 H TYR 43 H TYR 43 -3.518 -1.861 1.716
299 HA TYR 43 HA TYR 43 -4.274 -4.355 0.437
300 HB2 TYR 43 2HB TYR 43 -4.745 -3.333 3.217
301 HB3 TYR 43 1HB TYR 43 -5.464 -4.817 2.589
302 HD1 TYR 43 1HD TYR 43 -4.169 -6.823 2.409
303 HD2 TYR 43 2HD TYR 43 -2.303 -3.147 3.420
304 HE1 TYR 43 1HE TYR 43 -2.120 -8.029 2.985
305 HE2 TYR 43 2HE TYR 43 -0.276 -4.309 3.984
306 HH TYR 43 HH TYR 43 0.368 -6.592 4.710
307 H TYR 44 H TYR 44 -5.954 -4.645 -0.546
308 HA TYR 44 HA TYR 44 -8.269 -2.857 -0.291
309 HB2 TYR 44 2HB TYR 44 -7.521 -4.899 -2.413
310 HB3 TYR 44 1HB TYR 44 -8.953 -3.889 -2.450
311 HD1 TYR 44 1HD TYR 44 -5.257 -3.845 -2.645
312 HD2 TYR 44 2HD TYR 44 -8.851 -1.676 -3.342
313 HE1 TYR 44 1HE TYR 44 -4.018 -2.161 -3.920
314 HE2 TYR 44 2HE TYR 44 -7.620 -0.035 -4.601
315 HH TYR 44 HH TYR 44 -5.476 0.741 -4.999
316 H HIS 45 H HIS 45 -10.291 -4.514 -0.847
317 HA HIS 45 HA HIS 45 -9.796 -6.956 0.702
318 HB2 HIS 45 2HB HIS 45 -11.106 -5.065 1.893
319 HB3 HIS 45 1HB HIS 45 -12.417 -5.466 0.789
320 HD1 HIS 45 1HD HIS 45 -11.094 -6.260 4.053
321 HD2 HIS 45 2HD HIS 45 -13.176 -8.319 1.106
322 HE1 HIS 45 1HE HIS 45 -12.136 -8.213 5.203
323 H CYS 46 H CYS 46 -10.294 -8.687 -0.435
324 HA CYS 46 HA CYS 46 -11.784 -8.344 -2.859
325 HB2 CYS 46 2HB CYS 46 -10.211 -10.687 -1.807
326 HB3 CYS 46 1HB CYS 46 -11.031 -10.657 -3.365
Start of MODEL 9
1 H1 ALA 1 H ALA 1 -11.463 -10.223 9.147
2 HA ALA 1 HA ALA 1 -12.978 -9.573 7.113
3 HB1 ALA 1 1HB ALA 1 -12.347 -7.411 6.144
4 HB2 ALA 1 2HB ALA 1 -11.330 -7.078 7.544
5 HB3 ALA 1 3HB ALA 1 -13.080 -7.202 7.734
6 H LYS 2 H LYS 2 -12.032 -10.191 5.162
7 HA LYS 2 HA LYS 2 -9.327 -11.118 5.391
8 HB2 LYS 2 2HB LYS 2 -11.193 -11.143 3.012
9 HB3 LYS 2 1HB LYS 2 -9.638 -11.956 3.072
10 HG2 LYS 2 2HG LYS 2 -10.513 -13.340 4.951
11 HG3 LYS 2 1HG LYS 2 -12.090 -12.594 4.708
12 HD2 LYS 2 2HD LYS 2 -10.555 -14.238 2.680
13 HD3 LYS 2 1HD LYS 2 -11.965 -14.768 3.588
14 HE2 LYS 2 2HE LYS 2 -11.902 -12.511 1.574
15 HE3 LYS 2 1HE LYS 2 -12.522 -14.130 1.285
16 HZ1 LYS 2 1HZ LYS 2 -13.630 -12.257 3.310
17 HZ2 LYS 2 2HZ LYS 2 -14.237 -13.766 2.905
18 HZ3 LYS 2 3HZ LYS 2 -14.278 -12.519 1.779
19 H HIS 3 H HIS 3 -7.570 -10.378 4.243
20 HA HIS 3 HA HIS 3 -7.857 -7.650 3.250
21 HB2 HIS 3 2HB HIS 3 -5.371 -7.477 3.564
22 HB3 HIS 3 1HB HIS 3 -6.264 -7.713 5.050
23 HD1 HIS 3 1HD HIS 3 -4.130 -9.819 2.609
24 HD2 HIS 3 2HD HIS 3 -5.321 -9.703 6.592
25 HE1 HIS 3 1HE HIS 3 -2.827 -11.603 3.766
26 H CYS 4 H CYS 4 -7.136 -7.060 1.265
27 HA CYS 4 HA CYS 4 -6.191 -9.242 -0.423
28 HB2 CYS 4 2HB CYS 4 -8.415 -8.528 -1.063
29 HB3 CYS 4 1HB CYS 4 -7.884 -6.849 -1.110
30 H GLY 5 H GLY 5 -4.138 -8.951 -0.195
31 HA2 GLY 5 2HA GLY 5 -2.976 -6.302 -0.193
32 HA3 GLY 5 1HA GLY 5 -2.138 -7.806 0.126
33 H LYS 6 H LYS 6 -2.596 -5.351 -1.999
34 HA LYS 6 HA LYS 6 -1.695 -6.879 -4.294
35 HB2 LYS 6 2HB LYS 6 -3.429 -5.234 -4.668
36 HB3 LYS 6 1HB LYS 6 -2.410 -3.980 -3.948
37 HG2 LYS 6 2HG LYS 6 -0.787 -4.346 -5.796
38 HG3 LYS 6 1HG LYS 6 -1.944 -5.460 -6.528
39 HD2 LYS 6 2HD LYS 6 -3.585 -3.661 -6.688
40 HD3 LYS 6 1HD LYS 6 -2.449 -2.550 -5.924
41 HE2 LYS 6 2HE LYS 6 -2.437 -2.221 -8.321
42 HE3 LYS 6 1HE LYS 6 -0.892 -2.882 -7.792
43 HZ1 LYS 6 1HZ LYS 6 -1.608 -5.060 -8.548
44 HZ2 LYS 6 2HZ LYS 6 -1.687 -3.935 -9.798
45 HZ3 LYS 6 3HZ LYS 6 -3.099 -4.422 -9.031
46 H HIS 7 H HIS 7 0.312 -6.980 -4.706
47 HA HIS 7 HA HIS 7 2.242 -5.406 -3.209
48 HB2 HIS 7 2HB HIS 7 2.640 -7.841 -3.473
49 HB3 HIS 7 1HB HIS 7 2.625 -7.656 -5.218
50 HD1 HIS 7 1HD HIS 7 4.931 -7.845 -2.394
51 HD2 HIS 7 2HD HIS 7 4.901 -6.028 -6.139
52 HE1 HIS 7 1HE HIS 7 7.332 -7.392 -2.965
53 H SER 8 H SER 8 2.254 -3.397 -4.024
54 HA SER 8 HA SER 8 2.021 -2.829 -6.793
55 HB2 SER 8 2HB SER 8 1.384 -1.162 -5.080
56 HB3 SER 8 1HB SER 8 3.054 -1.098 -4.517
57 HG SER 8 HG SER 8 3.295 0.400 -5.929
58 H LYS 9 H LYS 9 3.579 -2.916 -8.291
59 HA LYS 9 HA LYS 9 6.198 -3.723 -7.440
60 HB2 LYS 9 2HB LYS 9 5.086 -3.285 -10.214
61 HB3 LYS 9 1HB LYS 9 6.685 -3.931 -9.873
62 HG2 LYS 9 2HG LYS 9 5.629 -5.825 -8.686
63 HG3 LYS 9 1HG LYS 9 4.049 -5.190 -9.133
64 HD2 LYS 9 2HD LYS 9 4.636 -5.414 -11.504
65 HD3 LYS 9 1HD LYS 9 6.213 -6.056 -11.050
66 HE2 LYS 9 2HE LYS 9 3.553 -7.316 -10.366
67 HE3 LYS 9 1HE LYS 9 4.606 -7.821 -11.683
68 HZ1 LYS 9 1HZ LYS 9 6.306 -8.384 -10.018
69 HZ2 LYS 9 2HZ LYS 9 4.871 -9.225 -9.770
70 HZ3 LYS 9 3HZ LYS 9 5.254 -7.939 -8.775
71 H SER 10 H SER 10 4.795 -0.854 -7.594
72 HA SER 10 HA SER 10 7.314 0.513 -8.163
73 HB2 SER 10 2HB SER 10 5.451 0.988 -9.829
74 HB3 SER 10 1HB SER 10 4.516 1.643 -8.491
75 HG SER 10 HG SER 10 7.099 2.584 -9.052
76 H TRP 11 H TRP 11 8.116 1.405 -6.392
77 HA TRP 11 HA TRP 11 6.539 1.527 -3.930
78 HB2 TRP 11 2HB TRP 11 9.470 2.198 -4.329
79 HB3 TRP 11 1HB TRP 11 8.654 1.898 -2.805
80 HD1 TRP 11 HD TRP 11 8.319 -0.675 -2.092
81 HE1 TRP 11 1HE TRP 11 9.401 -2.868 -2.964
82 HE3 TRP 11 3HE TRP 11 10.300 1.079 -6.473
83 HZ2 TRP 11 2HZ TRP 11 10.891 -3.701 -5.207
84 HZ3 TRP 11 3HZ TRP 11 11.533 -0.477 -7.909
85 HH2 TRP 11 HH TRP 11 11.819 -2.815 -7.287
86 H ASN 12 H ASN 12 7.077 3.569 -2.555
87 HA ASN 12 HA ASN 12 6.449 5.920 -4.081
88 HB2 ASN 12 2HB ASN 12 5.440 5.746 -1.899
89 HB3 ASN 12 1HB ASN 12 7.000 5.471 -1.138
90 HD21 ASN 12 1HD2 ASN 12 4.862 7.870 -2.523
91 HD22 ASN 12 2HD2 ASN 12 5.708 9.233 -1.889
92 H GLY 13 H GLY 13 9.156 4.440 -3.054
93 HA2 GLY 13 2HA GLY 13 11.189 5.492 -4.360
94 HA3 GLY 13 1HA GLY 13 10.925 6.786 -3.180
95 H LYS 14 H LYS 14 10.061 5.212 -1.105
96 HA LYS 14 HA LYS 14 11.968 3.167 -0.558
97 HB2 LYS 14 2HB LYS 14 13.074 5.259 0.275
98 HB3 LYS 14 1HB LYS 14 11.638 5.611 1.229
99 HG2 LYS 14 2HG LYS 14 11.985 3.651 2.563
100 HG3 LYS 14 1HG LYS 14 13.327 3.157 1.541
101 HD2 LYS 14 2HD LYS 14 14.600 5.090 2.252
102 HD3 LYS 14 1HD LYS 14 13.236 5.648 3.225
103 HE2 LYS 14 2HE LYS 14 14.883 4.493 4.601
104 HE3 LYS 14 1HE LYS 14 13.347 3.635 4.573
105 HZ1 LYS 14 1HZ LYS 14 14.297 2.095 2.930
106 HZ2 LYS 14 2HZ LYS 14 15.197 2.115 4.342
107 HZ3 LYS 14 3HZ LYS 14 15.758 2.929 2.982
108 H CYS 15 H CYS 15 11.120 1.955 1.418
109 HA CYS 15 HA CYS 15 8.253 1.990 1.222
110 HB2 CYS 15 2HB CYS 15 9.550 -0.111 1.052
111 HB3 CYS 15 1HB CYS 15 10.064 0.116 2.722
112 H PHE 16 H PHE 16 7.045 2.997 2.602
113 HA PHE 16 HA PHE 16 7.731 3.048 5.410
114 HB2 PHE 16 2HB PHE 16 7.020 5.474 3.761
115 HB3 PHE 16 1HB PHE 16 6.718 5.418 5.493
116 HD1 PHE 16 1HD PHE 16 8.677 5.129 7.026
117 HD2 PHE 16 2HD PHE 16 9.122 6.019 2.888
118 HE1 PHE 16 1HE PHE 16 10.952 5.937 7.448
119 HE2 PHE 16 2HE PHE 16 11.393 6.825 3.311
120 HZ PHE 16 HZ PHE 16 12.314 6.780 5.599
121 H HIS 17 H HIS 17 5.992 2.854 6.682
122 HA HIS 17 HA HIS 17 3.876 1.373 5.630
123 HB2 HIS 17 2HB HIS 17 4.081 2.711 8.334
124 HB3 HIS 17 1HB HIS 17 2.838 1.556 7.879
125 HD1 HIS 17 1HD HIS 17 3.399 -0.907 8.229
126 HD2 HIS 17 2HD HIS 17 6.738 1.572 8.435
127 HE1 HIS 17 1HE HIS 17 5.303 -2.338 9.064
128 H LYS 18 H LYS 18 3.604 4.587 7.202
129 HA LYS 18 HA LYS 18 0.975 4.756 6.179
130 HB2 LYS 18 2HB LYS 18 2.567 6.805 7.695
131 HB3 LYS 18 1HB LYS 18 0.906 7.040 7.177
132 HG2 LYS 18 2HG LYS 18 0.283 4.988 8.432
133 HG3 LYS 18 1HG LYS 18 1.933 4.948 9.057
134 HD2 LYS 18 2HD LYS 18 1.631 7.097 10.092
135 HD3 LYS 18 1HD LYS 18 0.015 7.244 9.395
136 HE2 LYS 18 2HE LYS 18 -0.613 5.165 10.649
137 HE3 LYS 18 1HE LYS 18 0.957 5.240 11.442
138 HZ1 LYS 18 1HZ LYS 18 -1.175 7.290 11.568
139 HZ2 LYS 18 2HZ LYS 18 0.355 7.446 12.267
140 HZ3 LYS 18 3HZ LYS 18 -0.703 6.257 12.818
141 H LYS 19 H LYS 19 4.004 5.879 5.044
142 HA LYS 19 HA LYS 19 3.044 7.858 3.301
143 HB2 LYS 19 2HB LYS 19 5.471 7.480 3.786
144 HB3 LYS 19 1HB LYS 19 5.367 6.008 2.833
145 HG2 LYS 19 2HG LYS 19 6.380 7.796 1.545
146 HG3 LYS 19 1HG LYS 19 4.856 7.281 0.841
147 HD2 LYS 19 2HD LYS 19 5.071 9.721 0.789
148 HD3 LYS 19 1HD LYS 19 3.726 9.232 1.809
149 HE2 LYS 19 2HE LYS 19 4.968 11.040 2.860
150 HE3 LYS 19 1HE LYS 19 5.138 9.568 3.802
151 HZ1 LYS 19 1HZ LYS 19 7.179 10.619 1.900
152 HZ2 LYS 19 2HZ LYS 19 7.342 9.254 2.872
153 HZ3 LYS 19 3HZ LYS 19 7.216 10.766 3.573
154 H CYS 20 H CYS 20 3.720 4.394 2.695
155 HA CYS 20 HA CYS 20 2.506 4.547 0.152
156 HB2 CYS 20 2HB CYS 20 3.344 2.151 1.801
157 HB3 CYS 20 1HB CYS 20 2.725 2.057 0.149
158 H ASN 21 H ASN 21 1.307 4.001 3.359
159 HA ASN 21 HA ASN 21 -1.160 2.808 2.828
160 HB2 ASN 21 2HB ASN 21 -0.273 3.233 5.105
161 HB3 ASN 21 1HB ASN 21 -0.529 4.957 4.850
162 HD21 ASN 21 1HD2 ASN 21 -1.948 5.195 6.509
163 HD22 ASN 21 2HD2 ASN 21 -3.538 4.527 6.493
164 H HIS 22 H HIS 22 -0.450 6.266 3.245
165 HA HIS 22 HA HIS 22 -3.016 7.060 2.355
166 HB2 HIS 22 2HB HIS 22 -0.486 8.686 2.727
167 HB3 HIS 22 1HB HIS 22 -2.051 9.385 2.342
168 HD1 HIS 22 1HD HIS 22 -3.666 9.753 4.315
169 HD2 HIS 22 2HD HIS 22 -0.286 7.572 5.336
170 HE1 HIS 22 1HE HIS 22 -3.690 9.564 6.839
171 H TRP 23 H TRP 23 0.092 6.735 0.774
172 HA TRP 23 HA TRP 23 -0.430 7.964 -1.676
173 HB2 TRP 23 2HB TRP 23 1.784 7.122 -0.918
174 HB3 TRP 23 1HB TRP 23 1.195 5.481 -1.124
175 HD1 TRP 23 HD TRP 23 1.093 4.519 -3.611
176 HE1 TRP 23 1HE TRP 23 2.174 5.310 -5.800
177 HE3 TRP 23 3HE TRP 23 2.415 9.239 -2.200
178 HZ2 TRP 23 2HZ TRP 23 3.428 7.633 -6.798
179 HZ3 TRP 23 3HZ TRP 23 3.559 10.683 -3.836
180 HH2 TRP 23 HH TRP 23 4.048 9.889 -6.081
181 H CYS 24 H CYS 24 -0.795 4.531 -0.774
182 HA CYS 24 HA CYS 24 -2.037 3.906 -3.210
183 HB2 CYS 24 2HB CYS 24 -1.646 2.373 -0.679
184 HB3 CYS 24 1HB CYS 24 -2.645 1.722 -1.972
185 H MET 25 H MET 25 -3.357 4.762 -0.057
186 HA MET 25 HA MET 25 -5.981 3.973 -0.720
187 HB2 MET 25 2HB MET 25 -5.257 4.374 1.606
188 HB3 MET 25 1HB MET 25 -5.097 6.088 1.256
189 HG2 MET 25 2HG MET 25 -7.477 6.257 0.840
190 HG3 MET 25 1HG MET 25 -7.664 4.525 1.091
191 HE1 MET 25 1HE MET 25 -9.601 5.005 2.762
192 HE2 MET 25 2HE MET 25 -9.409 6.752 2.601
193 HE3 MET 25 3HE MET 25 -9.454 6.011 4.202
194 H GLU 26 H GLU 26 -4.271 7.042 -1.071
195 HA GLU 26 HA GLU 26 -6.593 8.358 -2.099
196 HB2 GLU 26 2HB GLU 26 -4.943 9.562 -0.790
197 HB3 GLU 26 1HB GLU 26 -3.717 9.218 -1.999
198 HG2 GLU 26 2HG GLU 26 -4.949 10.542 -3.628
199 HG3 GLU 26 1HG GLU 26 -6.183 10.888 -2.416
200 H LYS 27 H LYS 27 -3.514 7.225 -3.576
201 HA LYS 27 HA LYS 27 -4.530 8.094 -6.160
202 HB2 LYS 27 2HB LYS 27 -2.163 8.448 -5.457
203 HB3 LYS 27 1HB LYS 27 -1.928 6.710 -5.621
204 HG2 LYS 27 2HG LYS 27 -2.480 6.781 -7.949
205 HG3 LYS 27 1HG LYS 27 -2.949 8.474 -7.832
206 HD2 LYS 27 2HD LYS 27 -0.870 8.459 -8.803
207 HD3 LYS 27 1HD LYS 27 -0.591 8.948 -7.138
208 HE2 LYS 27 2HE LYS 27 1.138 7.385 -7.747
209 HE3 LYS 27 1HE LYS 27 0.054 6.591 -6.613
210 HZ1 LYS 27 1HZ LYS 27 0.715 5.217 -8.516
211 HZ2 LYS 27 2HZ LYS 27 -0.105 6.248 -9.566
212 HZ3 LYS 27 3HZ LYS 27 -0.952 5.366 -8.389
213 H GLU 28 H GLU 28 -3.980 5.032 -4.474
214 HA GLU 28 HA GLU 28 -4.447 3.656 -7.007
215 HB2 GLU 28 2HB GLU 28 -3.422 2.604 -4.374
216 HB3 GLU 28 1HB GLU 28 -3.590 1.664 -5.844
217 HG2 GLU 28 2HG GLU 28 -1.792 4.059 -5.505
218 HG3 GLU 28 1HG GLU 28 -1.278 2.373 -5.445
219 H ASP 29 H ASP 29 -6.233 4.714 -4.476
220 HA ASP 29 HA ASP 29 -8.333 4.371 -3.735
221 HB2 ASP 29 2HB ASP 29 -8.967 4.079 -6.113
222 HB3 ASP 29 1HB ASP 29 -8.546 2.377 -6.027
223 H ALA 30 H ALA 30 -5.989 2.599 -3.004
224 HA ALA 30 HA ALA 30 -7.095 0.117 -2.127
225 HB1 ALA 30 1HB ALA 30 -5.020 -0.148 -0.864
226 HB2 ALA 30 2HB ALA 30 -4.614 1.541 -1.166
227 HB3 ALA 30 3HB ALA 30 -4.679 0.397 -2.507
228 H LYS 31 H LYS 31 -7.165 -0.451 0.199
229 HA LYS 31 HA LYS 31 -8.659 1.636 1.550
230 HB2 LYS 31 2HB LYS 31 -8.356 -1.300 2.146
231 HB3 LYS 31 1HB LYS 31 -9.224 -0.190 3.200
232 HG2 LYS 31 2HG LYS 31 -10.729 0.369 1.353
233 HG3 LYS 31 1HG LYS 31 -9.873 -0.777 0.324
234 HD2 LYS 31 2HD LYS 31 -10.531 -2.610 1.725
235 HD3 LYS 31 1HD LYS 31 -11.238 -1.507 2.907
236 HE2 LYS 31 2HE LYS 31 -12.164 -1.786 0.052
237 HE3 LYS 31 1HE LYS 31 -12.909 -2.593 1.429
238 HZ1 LYS 31 1HZ LYS 31 -12.696 0.354 1.056
239 HZ2 LYS 31 2HZ LYS 31 -13.421 -0.400 2.358
240 HZ3 LYS 31 3HZ LYS 31 -14.092 -0.552 0.825
241 H TYR 32 H TYR 32 -5.846 -0.399 2.139
242 HA TYR 32 HA TYR 32 -4.697 1.716 3.648
243 HB2 TYR 32 2HB TYR 32 -4.328 0.491 5.737
244 HB3 TYR 32 1HB TYR 32 -6.044 0.677 5.436
245 HD1 TYR 32 1HD TYR 32 -3.397 -1.601 6.185
246 HD2 TYR 32 2HD TYR 32 -7.296 -1.385 4.494
247 HE1 TYR 32 1HE TYR 32 -3.680 -4.006 6.546
248 HE2 TYR 32 2HE TYR 32 -7.587 -3.791 4.850
249 HH TYR 32 HH TYR 32 -5.405 -5.650 6.767
250 H GLY 33 H GLY 33 -2.586 1.660 3.557
251 HA2 GLY 33 2HA GLY 33 -1.359 -0.760 2.399
252 HA3 GLY 33 1HA GLY 33 -0.804 0.870 2.017
253 H SER 34 H SER 34 0.870 -1.142 3.027
254 HA SER 34 HA SER 34 1.854 0.249 5.334
255 HB2 SER 34 2HB SER 34 0.241 -1.423 6.300
256 HB3 SER 34 1HB SER 34 1.178 -2.710 5.543
257 HG SER 34 HG SER 34 2.132 -2.659 7.411
258 H CYS 35 H CYS 35 3.929 -1.041 6.047
259 HA CYS 35 HA CYS 35 5.419 -1.658 3.594
260 HB2 CYS 35 2HB CYS 35 6.152 0.321 5.071
261 HB3 CYS 35 1HB CYS 35 6.520 -0.884 6.301
262 H SER 36 H SER 36 6.103 -3.746 3.434
263 HA SER 36 HA SER 36 6.297 -5.245 5.916
264 HB2 SER 36 2HB SER 36 4.078 -5.634 4.718
265 HB3 SER 36 1HB SER 36 5.018 -6.361 3.416
266 HG SER 36 HG SER 36 4.664 -7.160 6.056
267 H HIS 37 H HIS 37 8.330 -5.791 6.025
268 HA HIS 37 HA HIS 37 10.372 -6.575 5.599
269 HB2 HIS 37 2HB HIS 37 9.029 -7.887 3.222
270 HB3 HIS 37 1HB HIS 37 10.694 -8.196 3.694
271 HD1 HIS 37 1HD HIS 37 11.061 -9.716 5.788
272 HD2 HIS 37 2HD HIS 37 7.071 -9.005 4.854
273 HE1 HIS 37 1HE HIS 37 9.732 -11.407 7.104
274 H GLY 38 H GLY 38 9.336 -4.055 4.322
275 HA2 GLY 38 2HA GLY 38 10.793 -2.400 3.453
276 HA3 GLY 38 1HA GLY 38 11.713 -3.676 2.671
277 H ASP 39 H ASP 39 8.455 -4.263 2.169
278 HA ASP 39 HA ASP 39 8.475 -2.649 -0.281
279 HB2 ASP 39 2HB ASP 39 7.516 -5.465 0.097
280 HB3 ASP 39 1HB ASP 39 7.062 -4.512 -1.306
281 H CYS 40 H CYS 40 6.516 -1.838 -0.980
282 HA CYS 40 HA CYS 40 4.703 -1.400 1.225
283 HB2 CYS 40 2HB CYS 40 4.880 -0.088 -1.494
284 HB3 CYS 40 1HB CYS 40 3.697 0.331 -0.259
285 H TYR 41 H TYR 41 3.062 -2.595 1.496
286 HA TYR 41 HA TYR 41 1.794 -3.899 -0.788
287 HB2 TYR 41 2HB TYR 41 2.007 -4.641 2.113
288 HB3 TYR 41 1HB TYR 41 0.691 -5.271 1.131
289 HD1 TYR 41 1HD TYR 41 4.465 -5.083 1.230
290 HD2 TYR 41 2HD TYR 41 0.995 -7.167 -0.136
291 HE1 TYR 41 1HE TYR 41 5.865 -6.899 0.429
292 HE2 TYR 41 2HE TYR 41 2.402 -8.983 -0.945
293 HH TYR 41 HH TYR 41 5.526 -9.408 -0.046
294 H CYS 42 H CYS 42 -0.148 -3.290 -1.337
295 HA CYS 42 HA CYS 42 -1.500 -1.411 0.450
296 HB2 CYS 42 2HB CYS 42 -1.524 -1.488 -2.575
297 HB3 CYS 42 1HB CYS 42 -2.294 -0.267 -1.552
298 H TYR 43 H TYR 43 -3.324 -2.148 1.249
299 HA TYR 43 HA TYR 43 -4.383 -4.594 0.128
300 HB2 TYR 43 2HB TYR 43 -4.883 -3.303 2.798
301 HB3 TYR 43 1HB TYR 43 -5.482 -4.871 2.278
302 HD1 TYR 43 1HD TYR 43 -3.997 -6.786 2.172
303 HD2 TYR 43 2HD TYR 43 -2.556 -2.985 3.388
304 HE1 TYR 43 1HE TYR 43 -2.010 -7.854 3.050
305 HE2 TYR 43 2HE TYR 43 -0.533 -4.014 4.275
306 HH TYR 43 HH TYR 43 0.406 -7.166 3.610
307 H TYR 44 H TYR 44 -6.178 -4.742 -0.723
308 HA TYR 44 HA TYR 44 -8.228 -2.629 -0.615
309 HB2 TYR 44 2HB TYR 44 -7.700 -4.803 -2.679
310 HB3 TYR 44 1HB TYR 44 -9.034 -3.673 -2.740
311 HD1 TYR 44 1HD TYR 44 -8.772 -1.588 -3.811
312 HD2 TYR 44 2HD TYR 44 -5.324 -3.906 -2.904
313 HE1 TYR 44 1HE TYR 44 -7.439 -0.114 -5.178
314 HE2 TYR 44 2HE TYR 44 -3.964 -2.416 -4.283
315 HH TYR 44 HH TYR 44 -5.238 0.537 -5.562
316 H HIS 45 H HIS 45 -10.385 -4.159 -1.318
317 HA HIS 45 HA HIS 45 -10.247 -6.521 0.394
318 HB2 HIS 45 2HB HIS 45 -11.592 -4.625 1.411
319 HB3 HIS 45 1HB HIS 45 -12.680 -4.746 0.036
320 HD1 HIS 45 1HD HIS 45 -11.758 -6.434 3.234
321 HD2 HIS 45 2HD HIS 45 -14.374 -6.985 0.053
322 HE1 HIS 45 1HE HIS 45 -13.376 -8.213 3.973
323 H CYS 46 H CYS 46 -10.466 -8.259 -0.857
324 HA CYS 46 HA CYS 46 -12.038 -8.031 -3.308
325 HB2 CYS 46 2HB CYS 46 -9.524 -9.659 -2.865
326 HB3 CYS 46 1HB CYS 46 -10.426 -9.500 -4.362
Start of MODEL 10
1 H1 ALA 1 H ALA 1 -11.885 -8.646 8.205
2 HA ALA 1 HA ALA 1 -13.105 -8.294 5.911
3 HB1 ALA 1 1HB ALA 1 -12.883 -5.844 6.046
4 HB2 ALA 1 2HB ALA 1 -12.132 -6.519 4.597
5 HB3 ALA 1 3HB ALA 1 -11.128 -6.026 5.957
6 H LYS 2 H LYS 2 -12.139 -9.402 4.270
7 HA LYS 2 HA LYS 2 -9.664 -10.685 4.793
8 HB2 LYS 2 2HB LYS 2 -11.340 -11.901 3.559
9 HB3 LYS 2 1HB LYS 2 -11.490 -10.610 2.383
10 HG2 LYS 2 2HG LYS 2 -10.315 -12.535 1.455
11 HG3 LYS 2 1HG LYS 2 -9.269 -11.119 1.515
12 HD2 LYS 2 2HD LYS 2 -8.251 -11.986 3.573
13 HD3 LYS 2 1HD LYS 2 -9.274 -13.422 3.465
14 HE2 LYS 2 2HE LYS 2 -7.033 -13.860 2.587
15 HE3 LYS 2 1HE LYS 2 -8.251 -13.988 1.325
16 HZ1 LYS 2 1HZ LYS 2 -6.258 -12.767 0.608
17 HZ2 LYS 2 2HZ LYS 2 -6.534 -11.576 1.756
18 HZ3 LYS 2 3HZ LYS 2 -7.632 -11.832 0.500
19 H HIS 3 H HIS 3 -7.872 -9.469 4.722
20 HA HIS 3 HA HIS 3 -7.734 -7.295 2.886
21 HB2 HIS 3 2HB HIS 3 -5.359 -6.999 3.756
22 HB3 HIS 3 1HB HIS 3 -6.656 -6.768 4.908
23 HD1 HIS 3 1HD HIS 3 -3.871 -9.233 4.064
24 HD2 HIS 3 2HD HIS 3 -6.590 -8.374 7.086
25 HE1 HIS 3 1HE HIS 3 -3.146 -10.590 6.045
26 H CYS 4 H CYS 4 -6.910 -7.184 1.035
27 HA CYS 4 HA CYS 4 -5.430 -9.485 -0.001
28 HB2 CYS 4 2HB CYS 4 -7.394 -7.649 -1.391
29 HB3 CYS 4 1HB CYS 4 -6.566 -9.005 -2.147
30 H GLY 5 H GLY 5 -3.414 -8.910 -0.604
31 HA2 GLY 5 2HA GLY 5 -2.883 -6.027 -0.569
32 HA3 GLY 5 1HA GLY 5 -1.725 -7.266 -0.138
33 H LYS 6 H LYS 6 -2.299 -5.038 -2.262
34 HA LYS 6 HA LYS 6 -1.645 -6.340 -4.728
35 HB2 LYS 6 2HB LYS 6 -2.792 -4.255 -4.815
36 HB3 LYS 6 1HB LYS 6 -1.554 -3.482 -3.810
37 HG2 LYS 6 2HG LYS 6 0.065 -3.965 -5.684
38 HG3 LYS 6 1HG LYS 6 -1.335 -4.392 -6.665
39 HD2 LYS 6 2HD LYS 6 -2.231 -2.177 -6.456
40 HD3 LYS 6 1HD LYS 6 -0.988 -1.737 -5.281
41 HE2 LYS 6 2HE LYS 6 -0.509 -2.474 -8.167
42 HE3 LYS 6 1HE LYS 6 -0.474 -0.844 -7.504
43 HZ1 LYS 6 1HZ LYS 6 1.423 -3.046 -6.744
44 HZ2 LYS 6 2HZ LYS 6 1.446 -1.471 -6.142
45 HZ3 LYS 6 3HZ LYS 6 1.740 -1.748 -7.756
46 H HIS 7 H HIS 7 0.308 -6.823 -5.402
47 HA HIS 7 HA HIS 7 2.585 -6.475 -3.726
48 HB2 HIS 7 2HB HIS 7 2.163 -7.713 -6.435
49 HB3 HIS 7 1HB HIS 7 3.702 -7.654 -5.601
50 HD1 HIS 7 1HD HIS 7 0.504 -9.540 -5.753
51 HD2 HIS 7 2HD HIS 7 3.881 -9.329 -3.342
52 HE1 HIS 7 1HE HIS 7 0.503 -11.655 -4.383
53 H SER 8 H SER 8 4.412 -5.331 -4.294
54 HA SER 8 HA SER 8 4.400 -3.737 -6.707
55 HB2 SER 8 2HB SER 8 5.006 -2.629 -3.941
56 HB3 SER 8 1HB SER 8 5.165 -1.757 -5.467
57 HG SER 8 HG SER 8 3.099 -1.828 -3.940
58 H LYS 9 H LYS 9 6.133 -4.409 -7.695
59 HA LYS 9 HA LYS 9 8.139 -5.947 -6.398
60 HB2 LYS 9 2HB LYS 9 7.310 -6.380 -8.677
61 HB3 LYS 9 1HB LYS 9 8.022 -4.870 -9.212
62 HG2 LYS 9 2HG LYS 9 10.237 -5.726 -8.782
63 HG3 LYS 9 1HG LYS 9 9.558 -7.218 -8.126
64 HD2 LYS 9 2HD LYS 9 8.544 -7.731 -10.279
65 HD3 LYS 9 1HD LYS 9 9.155 -6.220 -10.947
66 HE2 LYS 9 2HE LYS 9 10.830 -8.499 -9.905
67 HE3 LYS 9 1HE LYS 9 10.529 -8.135 -11.602
68 HZ1 LYS 9 1HZ LYS 9 11.629 -6.008 -11.300
69 HZ2 LYS 9 2HZ LYS 9 12.650 -7.276 -10.892
70 HZ3 LYS 9 3HZ LYS 9 11.934 -6.363 -9.679
71 H SER 10 H SER 10 7.935 -2.634 -7.514
72 HA SER 10 HA SER 10 10.121 -1.876 -5.867
73 HB2 SER 10 2HB SER 10 11.395 -0.808 -7.821
74 HB3 SER 10 1HB SER 10 11.507 -2.565 -7.707
75 HG SER 10 HG SER 10 9.518 -1.318 -9.259
76 H TRP 11 H TRP 11 8.852 -0.407 -4.876
77 HA TRP 11 HA TRP 11 7.303 1.380 -6.608
78 HB2 TRP 11 2HB TRP 11 5.993 0.066 -5.024
79 HB3 TRP 11 1HB TRP 11 6.891 0.775 -3.687
80 HD1 TRP 11 HD TRP 11 5.813 2.858 -2.637
81 HE1 TRP 11 1HE TRP 11 3.973 4.533 -3.356
82 HE3 TRP 11 3HE TRP 11 5.024 1.224 -7.413
83 HZ2 TRP 11 2HZ TRP 11 2.441 5.090 -5.629
84 HZ3 TRP 11 3HZ TRP 11 3.365 2.397 -8.794
85 HH2 TRP 11 HH TRP 11 2.107 4.294 -7.905
86 H ASN 12 H ASN 12 9.486 1.508 -3.776
87 HA ASN 12 HA ASN 12 10.197 4.204 -4.490
88 HB2 ASN 12 2HB ASN 12 8.027 4.468 -3.206
89 HB3 ASN 12 1HB ASN 12 8.802 3.708 -1.831
90 HD21 ASN 12 1HD2 ASN 12 7.579 6.349 -2.174
91 HD22 ASN 12 2HD2 ASN 12 8.765 7.513 -1.726
92 H GLY 13 H GLY 13 12.125 4.767 -3.587
93 HA2 GLY 13 2HA GLY 13 13.872 2.717 -2.797
94 HA3 GLY 13 1HA GLY 13 14.207 4.441 -2.704
95 H LYS 14 H LYS 14 11.886 4.925 -0.916
96 HA LYS 14 HA LYS 14 12.830 3.533 1.478
97 HB2 LYS 14 2HB LYS 14 13.450 5.975 1.421
98 HB3 LYS 14 1HB LYS 14 11.719 6.319 1.329
99 HG2 LYS 14 2HG LYS 14 12.393 6.629 3.541
100 HG3 LYS 14 1HG LYS 14 11.406 5.169 3.482
101 HD2 LYS 14 2HD LYS 14 13.587 3.866 3.376
102 HD3 LYS 14 1HD LYS 14 14.400 5.382 3.735
103 HE2 LYS 14 2HE LYS 14 14.122 4.182 5.800
104 HE3 LYS 14 1HE LYS 14 13.040 5.574 5.799
105 HZ1 LYS 14 1HZ LYS 14 11.954 3.606 6.645
106 HZ2 LYS 14 2HZ LYS 14 12.257 2.756 5.248
107 HZ3 LYS 14 3HZ LYS 14 11.185 4.050 5.221
108 H CYS 15 H CYS 15 11.240 2.612 2.614
109 HA CYS 15 HA CYS 15 8.513 2.958 1.650
110 HB2 CYS 15 2HB CYS 15 9.477 0.683 1.665
111 HB3 CYS 15 1HB CYS 15 9.704 0.814 3.404
112 H PHE 16 H PHE 16 7.010 3.877 2.898
113 HA PHE 16 HA PHE 16 7.363 4.039 5.796
114 HB2 PHE 16 2HB PHE 16 6.592 6.248 3.889
115 HB3 PHE 16 1HB PHE 16 6.109 6.292 5.572
116 HD1 PHE 16 1HD PHE 16 8.748 6.956 3.190
117 HD2 PHE 16 2HD PHE 16 7.893 6.375 7.325
118 HE1 PHE 16 1HE PHE 16 10.833 8.090 3.798
119 HE2 PHE 16 2HE PHE 16 9.987 7.501 7.909
120 HZ PHE 16 HZ PHE 16 11.453 8.360 6.152
121 H HIS 17 H HIS 17 5.556 3.354 6.839
122 HA HIS 17 HA HIS 17 3.488 2.181 5.294
123 HB2 HIS 17 2HB HIS 17 2.463 1.457 7.374
124 HB3 HIS 17 1HB HIS 17 4.197 1.262 7.530
125 HD1 HIS 17 1HD HIS 17 5.356 2.660 9.429
126 HD2 HIS 17 2HD HIS 17 1.290 3.405 8.998
127 HE1 HIS 17 1HE HIS 17 4.672 4.023 11.442
128 H LYS 18 H LYS 18 3.737 5.157 7.110
129 HA LYS 18 HA LYS 18 1.031 5.933 7.023
130 HB2 LYS 18 2HB LYS 18 2.723 7.008 8.477
131 HB3 LYS 18 1HB LYS 18 3.491 7.696 7.054
132 HG2 LYS 18 2HG LYS 18 1.344 8.882 6.569
133 HG3 LYS 18 1HG LYS 18 0.754 8.323 8.133
134 HD2 LYS 18 2HD LYS 18 2.622 9.480 9.236
135 HD3 LYS 18 1HD LYS 18 3.188 10.042 7.661
136 HE2 LYS 18 2HE LYS 18 0.967 11.152 7.351
137 HE3 LYS 18 1HE LYS 18 0.591 10.731 9.019
138 HZ1 LYS 18 1HZ LYS 18 1.441 12.980 8.871
139 HZ2 LYS 18 2HZ LYS 18 2.828 12.446 8.107
140 HZ3 LYS 18 3HZ LYS 18 2.558 12.028 9.711
141 H LYS 19 H LYS 19 3.765 6.778 4.946
142 HA LYS 19 HA LYS 19 2.301 8.365 3.136
143 HB2 LYS 19 2HB LYS 19 4.919 6.900 2.756
144 HB3 LYS 19 1HB LYS 19 4.277 8.067 1.620
145 HG2 LYS 19 2HG LYS 19 5.067 8.640 4.477
146 HG3 LYS 19 1HG LYS 19 6.000 9.060 3.041
147 HD2 LYS 19 2HD LYS 19 4.126 10.498 2.284
148 HD3 LYS 19 1HD LYS 19 3.254 10.103 3.762
149 HE2 LYS 19 2HE LYS 19 4.332 12.270 3.964
150 HE3 LYS 19 1HE LYS 19 5.054 11.119 5.085
151 HZ1 LYS 19 1HZ LYS 19 6.207 11.914 2.459
152 HZ2 LYS 19 2HZ LYS 19 6.911 10.853 3.563
153 HZ3 LYS 19 3HZ LYS 19 6.727 12.461 3.966
154 H CYS 20 H CYS 20 3.141 4.951 3.157
155 HA CYS 20 HA CYS 20 2.154 4.261 0.642
156 HB2 CYS 20 2HB CYS 20 3.553 2.785 2.049
157 HB3 CYS 20 1HB CYS 20 2.209 2.601 3.170
158 H ASN 21 H ASN 21 0.585 4.154 3.839
159 HA ASN 21 HA ASN 21 -1.926 3.266 3.095
160 HB2 ASN 21 2HB ASN 21 -1.281 3.404 5.421
161 HB3 ASN 21 1HB ASN 21 -1.117 5.151 5.316
162 HD21 ASN 21 1HD2 ASN 21 -2.961 6.435 5.438
163 HD22 ASN 21 2HD2 ASN 21 -4.494 5.822 5.858
164 H HIS 22 H HIS 22 -0.777 6.604 3.377
165 HA HIS 22 HA HIS 22 -3.281 7.665 2.586
166 HB2 HIS 22 2HB HIS 22 -0.596 8.990 2.911
167 HB3 HIS 22 1HB HIS 22 -2.039 9.860 2.400
168 HD1 HIS 22 1HD HIS 22 -3.783 10.420 4.214
169 HD2 HIS 22 2HD HIS 22 -0.629 8.090 5.559
170 HE1 HIS 22 1HE HIS 22 -3.998 10.350 6.718
171 H TRP 23 H TRP 23 -0.498 6.664 0.777
172 HA TRP 23 HA TRP 23 -1.290 8.017 -1.615
173 HB2 TRP 23 2HB TRP 23 1.044 7.053 -1.080
174 HB3 TRP 23 1HB TRP 23 0.363 5.479 -1.462
175 HD1 TRP 23 HD TRP 23 -1.213 6.126 -4.118
176 HE1 TRP 23 1HE TRP 23 0.050 6.793 -6.261
177 HE3 TRP 23 3HE TRP 23 3.196 7.654 -2.040
178 HZ2 TRP 23 2HZ TRP 23 2.563 7.811 -6.980
179 HZ3 TRP 23 3HZ TRP 23 4.982 8.449 -3.536
180 HH2 TRP 23 HH TRP 23 4.661 8.521 -5.956
181 H CYS 24 H CYS 24 -1.418 4.608 -0.579
182 HA CYS 24 HA CYS 24 -2.849 3.607 -2.724
183 HB2 CYS 24 2HB CYS 24 -2.702 2.633 0.121
184 HB3 CYS 24 1HB CYS 24 -3.393 1.693 -1.188
185 H MET 25 H MET 25 -4.108 4.862 0.354
186 HA MET 25 HA MET 25 -6.794 4.097 -0.138
187 HB2 MET 25 2HB MET 25 -5.949 4.505 2.115
188 HB3 MET 25 1HB MET 25 -5.685 6.196 1.731
189 HG2 MET 25 2HG MET 25 -8.099 6.504 1.437
190 HG3 MET 25 1HG MET 25 -8.357 4.805 1.828
191 HE1 MET 25 1HE MET 25 -7.265 4.656 5.598
192 HE2 MET 25 2HE MET 25 -6.226 4.349 4.212
193 HE3 MET 25 3HE MET 25 -7.882 3.741 4.222
194 H GLU 26 H GLU 26 -5.011 7.087 -0.706
195 HA GLU 26 HA GLU 26 -7.349 8.576 -1.416
196 HB2 GLU 26 2HB GLU 26 -5.384 9.582 -0.358
197 HB3 GLU 26 1HB GLU 26 -4.428 9.197 -1.776
198 HG2 GLU 26 2HG GLU 26 -5.976 10.655 -3.095
199 HG3 GLU 26 1HG GLU 26 -6.690 11.156 -1.560
200 H LYS 27 H LYS 27 -4.906 6.757 -3.145
201 HA LYS 27 HA LYS 27 -5.793 7.893 -5.655
202 HB2 LYS 27 2HB LYS 27 -3.383 7.626 -5.262
203 HB3 LYS 27 1HB LYS 27 -3.599 5.888 -5.140
204 HG2 LYS 27 2HG LYS 27 -2.722 6.440 -7.316
205 HG3 LYS 27 1HG LYS 27 -4.373 5.849 -7.488
206 HD2 LYS 27 2HD LYS 27 -5.175 8.177 -7.649
207 HD3 LYS 27 1HD LYS 27 -3.513 8.748 -7.506
208 HE2 LYS 27 2HE LYS 27 -4.635 7.034 -9.741
209 HE3 LYS 27 1HE LYS 27 -4.238 8.747 -9.836
210 HZ1 LYS 27 1HZ LYS 27 -1.919 8.157 -9.396
211 HZ2 LYS 27 2HZ LYS 27 -2.505 7.411 -10.792
212 HZ3 LYS 27 3HZ LYS 27 -2.329 6.519 -9.394
213 H GLU 28 H GLU 28 -5.599 4.575 -4.249
214 HA GLU 28 HA GLU 28 -7.354 3.784 -6.472
215 HB2 GLU 28 2HB GLU 28 -5.169 2.225 -5.127
216 HB3 GLU 28 1HB GLU 28 -6.345 1.497 -6.210
217 HG2 GLU 28 2HG GLU 28 -5.610 2.963 -8.011
218 HG3 GLU 28 1HG GLU 28 -4.456 3.722 -6.922
219 H ASP 29 H ASP 29 -7.918 4.623 -3.620
220 HA ASP 29 HA ASP 29 -9.483 4.207 -2.039
221 HB2 ASP 29 2HB ASP 29 -10.579 2.386 -4.177
222 HB3 ASP 29 1HB ASP 29 -11.359 2.549 -2.613
223 H ALA 30 H ALA 30 -7.048 2.671 -1.954
224 HA ALA 30 HA ALA 30 -7.670 0.062 -1.031
225 HB1 ALA 30 1HB ALA 30 -5.437 0.042 -0.054
226 HB2 ALA 30 2HB ALA 30 -5.310 1.784 -0.305
227 HB3 ALA 30 3HB ALA 30 -5.396 0.696 -1.694
228 H LYS 31 H LYS 31 -7.763 -0.690 1.092
229 HA LYS 31 HA LYS 31 -9.174 1.132 2.798
230 HB2 LYS 31 2HB LYS 31 -8.487 -1.788 3.059
231 HB3 LYS 31 1HB LYS 31 -9.333 -0.889 4.310
232 HG2 LYS 31 2HG LYS 31 -11.141 -0.368 2.796
233 HG3 LYS 31 1HG LYS 31 -10.276 -1.135 1.468
234 HD2 LYS 31 2HD LYS 31 -10.526 -3.276 2.430
235 HD3 LYS 31 1HD LYS 31 -11.104 -2.599 3.954
236 HE2 LYS 31 2HE LYS 31 -12.951 -3.523 2.590
237 HE3 LYS 31 1HE LYS 31 -13.120 -1.797 2.877
238 HZ1 LYS 31 1HZ LYS 31 -12.373 -1.351 0.653
239 HZ2 LYS 31 2HZ LYS 31 -13.644 -2.427 0.601
240 HZ3 LYS 31 3HZ LYS 31 -12.085 -2.981 0.342
241 H TYR 32 H TYR 32 -6.062 -0.288 2.582
242 HA TYR 32 HA TYR 32 -4.930 1.784 4.008
243 HB2 TYR 32 2HB TYR 32 -3.816 0.402 5.832
244 HB3 TYR 32 1HB TYR 32 -5.511 0.762 6.074
245 HD1 TYR 32 1HD TYR 32 -7.154 -1.008 6.117
246 HD2 TYR 32 2HD TYR 32 -3.059 -1.895 5.389
247 HE1 TYR 32 1HE TYR 32 -7.590 -3.364 6.599
248 HE2 TYR 32 2HE TYR 32 -3.487 -4.261 5.852
249 HH TYR 32 HH TYR 32 -5.052 -5.659 6.984
250 H GLY 33 H GLY 33 -2.546 1.404 4.262
251 HA2 GLY 33 2HA GLY 33 -1.562 -0.452 2.250
252 HA3 GLY 33 1HA GLY 33 -1.118 1.259 2.169
253 H SER 34 H SER 34 0.442 -1.243 2.803
254 HA SER 34 HA SER 34 1.682 -0.129 5.158
255 HB2 SER 34 2HB SER 34 0.065 -1.866 5.986
256 HB3 SER 34 1HB SER 34 0.912 -3.068 5.018
257 HG SER 34 HG SER 34 1.469 -2.239 7.455
258 H CYS 35 H CYS 35 3.635 -1.833 5.556
259 HA CYS 35 HA CYS 35 5.059 -1.632 3.001
260 HB2 CYS 35 2HB CYS 35 5.834 -0.380 5.145
261 HB3 CYS 35 1HB CYS 35 6.323 -1.989 5.683
262 H SER 36 H SER 36 5.722 -3.459 2.063
263 HA SER 36 HA SER 36 6.163 -5.798 3.686
264 HB2 SER 36 2HB SER 36 3.778 -5.936 2.913
265 HB3 SER 36 1HB SER 36 4.326 -5.744 1.254
266 HG SER 36 HG SER 36 5.025 -7.895 2.990
267 H HIS 37 H HIS 37 8.006 -6.675 2.994
268 HA HIS 37 HA HIS 37 9.856 -7.147 1.773
269 HB2 HIS 37 2HB HIS 37 8.165 -6.295 -0.602
270 HB3 HIS 37 1HB HIS 37 9.735 -7.076 -0.724
271 HD1 HIS 37 1HD HIS 37 6.132 -7.824 0.319
272 HD2 HIS 37 2HD HIS 37 9.692 -9.801 -0.535
273 HE1 HIS 37 1HE HIS 37 5.546 -10.248 0.137
274 H GLY 38 H GLY 38 9.018 -4.304 2.680
275 HA2 GLY 38 2HA GLY 38 10.268 -2.372 2.857
276 HA3 GLY 38 1HA GLY 38 11.358 -2.988 1.619
277 H ASP 39 H ASP 39 8.043 -3.141 0.852
278 HA ASP 39 HA ASP 39 8.199 -0.634 -0.646
279 HB2 ASP 39 2HB ASP 39 7.471 -3.340 -1.601
280 HB3 ASP 39 1HB ASP 39 6.834 -1.923 -2.432
281 H CYS 40 H CYS 40 6.026 -0.117 -1.562
282 HA CYS 40 HA CYS 40 4.154 -0.093 0.632
283 HB2 CYS 40 2HB CYS 40 4.654 1.992 -0.501
284 HB3 CYS 40 1HB CYS 40 4.179 1.297 -2.044
285 H TYR 41 H TYR 41 2.695 -1.593 0.789
286 HA TYR 41 HA TYR 41 1.624 -2.801 -1.639
287 HB2 TYR 41 2HB TYR 41 2.149 -3.970 1.092
288 HB3 TYR 41 1HB TYR 41 0.928 -4.676 0.043
289 HD1 TYR 41 1HD TYR 41 1.852 -6.758 -0.533
290 HD2 TYR 41 2HD TYR 41 4.256 -3.281 -0.915
291 HE1 TYR 41 1HE TYR 41 3.556 -8.070 -1.701
292 HE2 TYR 41 2HE TYR 41 5.967 -4.581 -2.086
293 HH TYR 41 HH TYR 41 6.702 -6.857 -2.339
294 H CYS 42 H CYS 42 -0.308 -2.225 -2.086
295 HA CYS 42 HA CYS 42 -1.916 -0.787 -0.161
296 HB2 CYS 42 2HB CYS 42 -2.538 -1.504 -3.035
297 HB3 CYS 42 1HB CYS 42 -3.382 -0.323 -2.050
298 H TYR 43 H TYR 43 -3.526 -1.723 0.990
299 HA TYR 43 HA TYR 43 -4.224 -4.442 0.248
300 HB2 TYR 43 2HB TYR 43 -4.379 -3.052 2.923
301 HB3 TYR 43 1HB TYR 43 -5.030 -4.659 2.613
302 HD1 TYR 43 1HD TYR 43 -1.925 -2.672 2.760
303 HD2 TYR 43 2HD TYR 43 -3.591 -6.569 2.522
304 HE1 TYR 43 1HE TYR 43 0.273 -3.620 3.177
305 HE2 TYR 43 2HE TYR 43 -1.378 -7.540 2.955
306 HH TYR 43 HH TYR 43 1.015 -6.880 2.703
307 H TYR 44 H TYR 44 -5.979 -4.805 -0.596
308 HA TYR 44 HA TYR 44 -8.225 -2.934 -0.358
309 HB2 TYR 44 2HB TYR 44 -7.635 -4.981 -2.522
310 HB3 TYR 44 1HB TYR 44 -8.954 -3.818 -2.523
311 HD1 TYR 44 1HD TYR 44 -5.579 -4.449 -3.501
312 HD2 TYR 44 2HD TYR 44 -8.315 -1.338 -2.579
313 HE1 TYR 44 1HE TYR 44 -4.134 -2.832 -4.663
314 HE2 TYR 44 2HE TYR 44 -6.890 0.272 -3.740
315 HH TYR 44 HH TYR 44 -4.463 -0.450 -5.819
316 H HIS 45 H HIS 45 -10.258 -4.468 -1.020
317 HA HIS 45 HA HIS 45 -10.094 -6.845 0.686
318 HB2 HIS 45 2HB HIS 45 -11.462 -5.056 1.728
319 HB3 HIS 45 1HB HIS 45 -12.460 -4.988 0.284
320 HD1 HIS 45 1HD HIS 45 -14.679 -6.041 0.865
321 HD2 HIS 45 2HD HIS 45 -11.463 -8.024 2.563
322 HE1 HIS 45 1HE HIS 45 -15.650 -7.984 2.116
323 H CYS 46 H CYS 46 -10.812 -8.662 -0.272
324 HA CYS 46 HA CYS 46 -11.413 -8.485 -3.048
325 HB2 CYS 46 2HB CYS 46 -11.124 -10.846 -1.181
326 HB3 CYS 46 1HB CYS 46 -11.445 -11.005 -2.906
Start of MODEL 11
1 H1 ALA 1 H ALA 1 -11.439 -8.983 8.851
2 HA ALA 1 HA ALA 1 -13.153 -9.094 6.708
3 HB1 ALA 1 1HB ALA 1 -12.446 -7.000 7.755
4 HB2 ALA 1 2HB ALA 1 -12.246 -6.950 5.998
5 HB3 ALA 1 3HB ALA 1 -10.843 -7.192 7.035
6 H LYS 2 H LYS 2 -12.980 -9.285 4.537
7 HA LYS 2 HA LYS 2 -10.924 -10.943 3.622
8 HB2 LYS 2 2HB LYS 2 -12.098 -10.738 1.392
9 HB3 LYS 2 1HB LYS 2 -13.054 -11.357 2.730
10 HG2 LYS 2 2HG LYS 2 -14.167 -9.190 2.963
11 HG3 LYS 2 1HG LYS 2 -13.144 -8.519 1.697
12 HD2 LYS 2 2HD LYS 2 -15.356 -9.092 0.841
13 HD3 LYS 2 1HD LYS 2 -14.106 -10.064 0.078
14 HE2 LYS 2 2HE LYS 2 -15.978 -11.488 0.581
15 HE3 LYS 2 1HE LYS 2 -14.669 -11.917 1.665
16 HZ1 LYS 2 1HZ LYS 2 -16.725 -11.822 2.849
17 HZ2 LYS 2 2HZ LYS 2 -17.042 -10.271 2.309
18 HZ3 LYS 2 3HZ LYS 2 -15.780 -10.536 3.391
19 H HIS 3 H HIS 3 -8.986 -10.068 3.547
20 HA HIS 3 HA HIS 3 -8.696 -7.555 2.119
21 HB2 HIS 3 2HB HIS 3 -6.836 -8.888 4.085
22 HB3 HIS 3 1HB HIS 3 -6.392 -7.489 3.114
23 HD1 HIS 3 1HD HIS 3 -7.104 -7.923 6.426
24 HD2 HIS 3 2HD HIS 3 -8.934 -5.625 3.488
25 HE1 HIS 3 1HE HIS 3 -8.310 -6.077 7.636
26 H CYS 4 H CYS 4 -7.737 -7.383 0.329
27 HA CYS 4 HA CYS 4 -6.316 -9.676 -0.785
28 HB2 CYS 4 2HB CYS 4 -7.976 -7.529 -2.164
29 HB3 CYS 4 1HB CYS 4 -7.102 -8.804 -3.001
30 H GLY 5 H GLY 5 -4.262 -9.160 -0.317
31 HA2 GLY 5 2HA GLY 5 -3.334 -6.430 -0.514
32 HA3 GLY 5 1HA GLY 5 -2.416 -7.821 0.044
33 H LYS 6 H LYS 6 -2.583 -5.612 -2.265
34 HA LYS 6 HA LYS 6 -1.915 -7.227 -4.546
35 HB2 LYS 6 2HB LYS 6 -3.018 -5.061 -4.822
36 HB3 LYS 6 1HB LYS 6 -1.640 -4.258 -4.064
37 HG2 LYS 6 2HG LYS 6 -0.222 -4.969 -5.922
38 HG3 LYS 6 1HG LYS 6 -1.600 -5.784 -6.656
39 HD2 LYS 6 2HD LYS 6 -1.244 -3.642 -7.735
40 HD3 LYS 6 1HD LYS 6 -2.757 -3.615 -6.834
41 HE2 LYS 6 2HE LYS 6 -1.680 -2.390 -5.024
42 HE3 LYS 6 1HE LYS 6 -0.132 -2.462 -5.860
43 HZ1 LYS 6 1HZ LYS 6 -1.123 -1.166 -7.657
44 HZ2 LYS 6 2HZ LYS 6 -1.203 -0.326 -6.229
45 HZ3 LYS 6 3HZ LYS 6 -2.579 -1.094 -6.833
46 H HIS 7 H HIS 7 0.080 -7.741 -5.198
47 HA HIS 7 HA HIS 7 2.132 -7.543 -3.209
48 HB2 HIS 7 2HB HIS 7 1.592 -9.601 -4.654
49 HB3 HIS 7 1HB HIS 7 2.401 -8.748 -5.961
50 HD1 HIS 7 1HD HIS 7 3.050 -11.046 -3.252
51 HD2 HIS 7 2HD HIS 7 5.183 -8.083 -5.236
52 HE1 HIS 7 1HE HIS 7 5.487 -11.453 -2.708
53 H SER 8 H SER 8 3.651 -6.073 -3.163
54 HA SER 8 HA SER 8 3.742 -3.836 -4.770
55 HB2 SER 8 2HB SER 8 4.619 -3.782 -2.535
56 HB3 SER 8 1HB SER 8 5.803 -5.027 -2.924
57 HG SER 8 HG SER 8 7.082 -3.469 -3.394
58 H LYS 9 H LYS 9 4.811 -3.274 -6.487
59 HA LYS 9 HA LYS 9 6.433 -5.212 -7.972
60 HB2 LYS 9 2HB LYS 9 5.198 -2.555 -8.702
61 HB3 LYS 9 1HB LYS 9 6.180 -3.529 -9.783
62 HG2 LYS 9 2HG LYS 9 4.539 -5.196 -9.942
63 HG3 LYS 9 1HG LYS 9 3.658 -4.576 -8.544
64 HD2 LYS 9 2HD LYS 9 2.556 -4.010 -10.696
65 HD3 LYS 9 1HD LYS 9 3.026 -2.585 -9.776
66 HE2 LYS 9 2HE LYS 9 5.044 -2.384 -11.180
67 HE3 LYS 9 1HE LYS 9 4.503 -3.765 -12.130
68 HZ1 LYS 9 1HZ LYS 9 3.930 -1.684 -13.177
69 HZ2 LYS 9 2HZ LYS 9 3.088 -1.180 -11.822
70 HZ3 LYS 9 3HZ LYS 9 2.513 -2.483 -12.723
71 H SER 10 H SER 10 6.799 -2.971 -5.676
72 HA SER 10 HA SER 10 8.367 -1.583 -4.871
73 HB2 SER 10 2HB SER 10 10.214 -2.745 -6.991
74 HB3 SER 10 1HB SER 10 10.703 -1.920 -5.514
75 HG SER 10 HG SER 10 9.432 -3.757 -4.438
76 H TRP 11 H TRP 11 10.250 0.084 -5.974
77 HA TRP 11 HA TRP 11 10.604 1.964 -7.117
78 HB2 TRP 11 2HB TRP 11 9.079 0.556 -9.304
79 HB3 TRP 11 1HB TRP 11 10.198 1.907 -9.527
80 HD1 TRP 11 HD TRP 11 10.081 -1.758 -9.641
81 HE1 TRP 11 1HE TRP 11 12.439 -2.782 -9.634
82 HE3 TRP 11 3HE TRP 11 12.737 2.371 -8.289
83 HZ2 TRP 11 2HZ TRP 11 15.089 -1.942 -9.114
84 HZ3 TRP 11 3HZ TRP 11 15.189 2.181 -8.053
85 HH2 TRP 11 HH TRP 11 16.328 0.069 -8.458
86 H ASN 12 H ASN 12 8.258 1.777 -5.524
87 HA ASN 12 HA ASN 12 6.369 3.660 -6.795
88 HB2 ASN 12 2HB ASN 12 5.462 1.497 -5.870
89 HB3 ASN 12 1HB ASN 12 6.070 1.957 -4.290
90 HD21 ASN 12 1HD2 ASN 12 4.029 1.859 -3.381
91 HD22 ASN 12 2HD2 ASN 12 2.795 3.015 -3.697
92 H GLY 13 H GLY 13 9.023 4.315 -5.788
93 HA2 GLY 13 2HA GLY 13 9.865 6.175 -4.684
94 HA3 GLY 13 1HA GLY 13 8.317 6.355 -3.852
95 H LYS 14 H LYS 14 9.889 6.615 -1.978
96 HA LYS 14 HA LYS 14 10.893 4.066 -1.093
97 HB2 LYS 14 2HB LYS 14 12.238 6.121 -0.631
98 HB3 LYS 14 1HB LYS 14 10.902 6.698 0.372
99 HG2 LYS 14 2HG LYS 14 12.755 5.741 1.689
100 HG3 LYS 14 1HG LYS 14 11.215 4.926 1.949
101 HD2 LYS 14 2HD LYS 14 11.919 3.142 0.398
102 HD3 LYS 14 1HD LYS 14 13.469 3.948 0.174
103 HE2 LYS 14 2HE LYS 14 12.385 2.920 2.795
104 HE3 LYS 14 1HE LYS 14 13.536 2.060 1.783
105 HZ1 LYS 14 1HZ LYS 14 15.128 3.856 2.143
106 HZ2 LYS 14 2HZ LYS 14 14.600 3.232 3.610
107 HZ3 LYS 14 3HZ LYS 14 14.019 4.703 3.081
108 H CYS 15 H CYS 15 9.942 2.831 0.305
109 HA CYS 15 HA CYS 15 7.212 3.449 0.912
110 HB2 CYS 15 2HB CYS 15 7.798 1.245 0.040
111 HB3 CYS 15 1HB CYS 15 8.809 0.956 1.451
112 H PHE 16 H PHE 16 6.617 4.315 2.665
113 HA PHE 16 HA PHE 16 8.016 3.785 5.161
114 HB2 PHE 16 2HB PHE 16 6.695 6.315 4.157
115 HB3 PHE 16 1HB PHE 16 7.091 6.085 5.859
116 HD1 PHE 16 1HD PHE 16 9.574 5.649 6.393
117 HD2 PHE 16 2HD PHE 16 8.237 7.243 2.670
118 HE1 PHE 16 1HE PHE 16 11.807 6.565 5.975
119 HE2 PHE 16 2HE PHE 16 10.457 8.156 2.260
120 HZ PHE 16 HZ PHE 16 12.255 7.824 3.903
121 H HIS 17 H HIS 17 6.519 3.522 6.924
122 HA HIS 17 HA HIS 17 4.461 1.801 6.133
123 HB2 HIS 17 2HB HIS 17 5.070 2.896 8.871
124 HB3 HIS 17 1HB HIS 17 3.839 1.677 8.566
125 HD1 HIS 17 1HD HIS 17 4.639 -0.749 8.340
126 HD2 HIS 17 2HD HIS 17 7.752 2.017 8.300
127 HE1 HIS 17 1HE HIS 17 6.762 -2.088 8.407
128 H LYS 18 H LYS 18 3.731 4.617 8.218
129 HA LYS 18 HA LYS 18 1.009 4.337 7.364
130 HB2 LYS 18 2HB LYS 18 0.400 6.041 8.916
131 HB3 LYS 18 1HB LYS 18 1.600 5.029 9.697
132 HG2 LYS 18 2HG LYS 18 3.304 6.712 9.257
133 HG3 LYS 18 1HG LYS 18 2.112 7.701 8.434
134 HD2 LYS 18 2HD LYS 18 2.365 8.559 10.648
135 HD3 LYS 18 1HD LYS 18 0.791 7.792 10.532
136 HE2 LYS 18 2HE LYS 18 1.634 5.811 11.658
137 HE3 LYS 18 1HE LYS 18 3.250 6.512 11.736
138 HZ1 LYS 18 1HZ LYS 18 0.831 7.612 13.063
139 HZ2 LYS 18 2HZ LYS 18 2.385 8.254 13.161
140 HZ3 LYS 18 3HZ LYS 18 2.064 6.751 13.829
141 H LYS 19 H LYS 19 3.699 6.099 6.321
142 HA LYS 19 HA LYS 19 2.227 8.152 5.024
143 HB2 LYS 19 2HB LYS 19 5.064 7.238 4.653
144 HB3 LYS 19 1HB LYS 19 4.367 8.586 3.763
145 HG2 LYS 19 2HG LYS 19 3.928 9.725 5.900
146 HG3 LYS 19 1HG LYS 19 4.709 8.397 6.755
147 HD2 LYS 19 2HD LYS 19 6.786 8.845 5.534
148 HD3 LYS 19 1HD LYS 19 5.999 10.176 4.687
149 HE2 LYS 19 2HE LYS 19 7.322 11.064 6.506
150 HE3 LYS 19 1HE LYS 19 5.616 11.286 6.862
151 HZ1 LYS 19 1HZ LYS 19 6.908 10.500 8.769
152 HZ2 LYS 19 2HZ LYS 19 7.299 9.093 7.967
153 HZ3 LYS 19 3HZ LYS 19 5.686 9.422 8.371
154 H CYS 20 H CYS 20 3.565 5.020 3.887
155 HA CYS 20 HA CYS 20 2.506 5.588 1.299
156 HB2 CYS 20 2HB CYS 20 4.433 3.964 1.645
157 HB3 CYS 20 1HB CYS 20 3.264 2.829 2.316
158 H ASN 21 H ASN 21 1.385 4.192 4.255
159 HA ASN 21 HA ASN 21 -0.935 2.954 3.456
160 HB2 ASN 21 2HB ASN 21 -0.227 2.995 5.788
161 HB3 ASN 21 1HB ASN 21 -0.509 4.731 5.861
162 HD21 ASN 21 1HD2 ASN 21 -2.616 5.494 6.141
163 HD22 ASN 21 2HD2 ASN 21 -3.927 4.433 6.442
164 H HIS 22 H HIS 22 -0.677 6.448 4.361
165 HA HIS 22 HA HIS 22 -3.294 6.926 3.423
166 HB2 HIS 22 2HB HIS 22 -2.902 9.341 3.690
167 HB3 HIS 22 1HB HIS 22 -2.381 8.453 5.106
168 HD1 HIS 22 1HD HIS 22 -0.980 10.411 2.153
169 HD2 HIS 22 2HD HIS 22 0.203 8.727 5.751
170 HE1 HIS 22 1HE HIS 22 1.326 11.293 2.576
171 H TRP 23 H TRP 23 -0.125 7.226 1.972
172 HA TRP 23 HA TRP 23 -0.795 8.590 -0.334
173 HB2 TRP 23 2HB TRP 23 1.534 8.074 0.277
174 HB3 TRP 23 1HB TRP 23 1.222 6.366 -0.027
175 HD1 TRP 23 HD TRP 23 1.354 5.518 -2.504
176 HE1 TRP 23 1HE TRP 23 2.025 6.610 -4.720
177 HE3 TRP 23 3HE TRP 23 1.440 10.402 -0.992
178 HZ2 TRP 23 2HZ TRP 23 2.540 9.212 -5.705
179 HZ3 TRP 23 3HZ TRP 23 2.033 12.132 -2.640
180 HH2 TRP 23 HH TRP 23 2.572 11.546 -4.943
181 H CYS 24 H CYS 24 -0.647 5.033 0.087
182 HA CYS 24 HA CYS 24 -1.629 4.529 -2.510
183 HB2 CYS 24 2HB CYS 24 -0.377 2.835 -1.046
184 HB3 CYS 24 1HB CYS 24 -1.881 2.656 -0.173
185 H MET 25 H MET 25 -3.194 4.907 0.613
186 HA MET 25 HA MET 25 -5.741 3.969 0.025
187 HB2 MET 25 2HB MET 25 -4.915 4.600 2.277
188 HB3 MET 25 1HB MET 25 -4.977 6.289 1.808
189 HG2 MET 25 2HG MET 25 -7.387 6.156 1.576
190 HG3 MET 25 1HG MET 25 -7.343 4.439 1.973
191 HE1 MET 25 1HE MET 25 -9.230 6.458 3.479
192 HE2 MET 25 2HE MET 25 -8.996 5.956 5.154
193 HE3 MET 25 3HE MET 25 -9.119 4.744 3.878
194 H GLU 26 H GLU 26 -4.217 6.997 -0.748
195 HA GLU 26 HA GLU 26 -6.661 8.099 -1.894
196 HB2 GLU 26 2HB GLU 26 -5.288 9.478 -0.420
197 HB3 GLU 26 1HB GLU 26 -3.907 9.239 -1.469
198 HG2 GLU 26 2HG GLU 26 -5.085 10.438 -3.256
199 HG3 GLU 26 1HG GLU 26 -6.432 10.721 -2.150
200 H LYS 27 H LYS 27 -3.381 7.132 -2.813
201 HA LYS 27 HA LYS 27 -3.459 8.158 -5.439
202 HB2 LYS 27 2HB LYS 27 -1.413 7.765 -4.049
203 HB3 LYS 27 1HB LYS 27 -1.598 6.051 -4.374
204 HG2 LYS 27 2HG LYS 27 0.051 6.978 -5.853
205 HG3 LYS 27 1HG LYS 27 -1.379 6.527 -6.793
206 HD2 LYS 27 2HD LYS 27 -2.128 8.834 -6.804
207 HD3 LYS 27 1HD LYS 27 -0.767 9.289 -5.774
208 HE2 LYS 27 2HE LYS 27 0.768 8.619 -7.554
209 HE3 LYS 27 1HE LYS 27 -0.607 8.202 -8.574
210 HZ1 LYS 27 1HZ LYS 27 -1.333 10.481 -8.503
211 HZ2 LYS 27 2HZ LYS 27 0.241 10.403 -9.086
212 HZ3 LYS 27 3HZ LYS 27 -0.050 10.911 -7.497
213 H GLU 28 H GLU 28 -3.926 4.850 -4.185
214 HA GLU 28 HA GLU 28 -4.770 4.139 -6.916
215 HB2 GLU 28 2HB GLU 28 -3.408 2.342 -4.912
216 HB3 GLU 28 1HB GLU 28 -3.980 1.856 -6.498
217 HG2 GLU 28 2HG GLU 28 -2.386 3.532 -7.473
218 HG3 GLU 28 1HG GLU 28 -1.724 3.730 -5.849
219 H ASP 29 H ASP 29 -6.037 5.059 -4.408
220 HA ASP 29 HA ASP 29 -7.762 4.682 -2.987
221 HB2 ASP 29 2HB ASP 29 -8.957 4.871 -5.191
222 HB3 ASP 29 1HB ASP 29 -8.915 3.119 -5.321
223 H ALA 30 H ALA 30 -6.379 3.433 -1.685
224 HA ALA 30 HA ALA 30 -7.035 0.565 -1.657
225 HB1 ALA 30 1HB ALA 30 -4.648 1.984 -0.438
226 HB2 ALA 30 2HB ALA 30 -4.634 1.025 -1.905
227 HB3 ALA 30 3HB ALA 30 -4.973 0.256 -0.357
228 H LYS 31 H LYS 31 -7.184 -0.389 0.525
229 HA LYS 31 HA LYS 31 -8.811 1.240 2.254
230 HB2 LYS 31 2HB LYS 31 -7.669 -1.546 2.587
231 HB3 LYS 31 1HB LYS 31 -8.810 -0.788 3.689
232 HG2 LYS 31 2HG LYS 31 -10.505 -0.745 1.955
233 HG3 LYS 31 1HG LYS 31 -9.349 -1.376 0.790
234 HD2 LYS 31 2HD LYS 31 -10.891 -3.109 1.665
235 HD3 LYS 31 1HD LYS 31 -9.199 -3.466 1.979
236 HE2 LYS 31 2HE LYS 31 -10.631 -3.976 3.901
237 HE3 LYS 31 1HE LYS 31 -9.434 -2.732 4.248
238 HZ1 LYS 31 1HZ LYS 31 -11.624 -2.234 5.165
239 HZ2 LYS 31 2HZ LYS 31 -12.305 -2.220 3.629
240 HZ3 LYS 31 3HZ LYS 31 -11.157 -1.057 4.070
241 H TYR 32 H TYR 32 -5.697 -0.382 2.357
242 HA TYR 32 HA TYR 32 -4.517 1.736 3.783
243 HB2 TYR 32 2HB TYR 32 -3.805 0.443 5.745
244 HB3 TYR 32 1HB TYR 32 -5.553 0.569 5.690
245 HD1 TYR 32 1HD TYR 32 -2.675 -1.620 5.625
246 HD2 TYR 32 2HD TYR 32 -6.916 -1.484 5.219
247 HE1 TYR 32 1HE TYR 32 -2.781 -4.025 5.997
248 HE2 TYR 32 2HE TYR 32 -7.031 -3.899 5.584
249 HH TYR 32 HH TYR 32 -5.600 -5.884 5.468
250 H GLY 33 H GLY 33 -2.216 1.389 3.966
251 HA2 GLY 33 2HA GLY 33 -1.246 -0.673 2.118
252 HA3 GLY 33 1HA GLY 33 -0.601 0.973 2.127
253 H SER 34 H SER 34 0.248 -1.948 2.968
254 HA SER 34 HA SER 34 1.371 -1.101 5.527
255 HB2 SER 34 2HB SER 34 -0.156 -3.107 5.604
256 HB3 SER 34 1HB SER 34 0.976 -3.916 4.518
257 HG SER 34 HG SER 34 1.686 -4.557 6.367
258 H CYS 35 H CYS 35 3.563 -1.275 5.769
259 HA CYS 35 HA CYS 35 4.984 -1.692 3.249
260 HB2 CYS 35 2HB CYS 35 5.113 0.550 4.496
261 HB3 CYS 35 1HB CYS 35 6.074 -0.319 5.695
262 H SER 36 H SER 36 6.278 -3.385 3.104
263 HA SER 36 HA SER 36 7.219 -4.583 5.583
264 HB2 SER 36 2HB SER 36 5.297 -5.901 4.698
265 HB3 SER 36 1HB SER 36 6.200 -6.157 3.204
266 HG SER 36 HG SER 36 6.452 -7.901 4.624
267 H HIS 37 H HIS 37 9.273 -4.262 5.563
268 HA HIS 37 HA HIS 37 11.457 -4.205 5.034
269 HB2 HIS 37 2HB HIS 37 10.628 -6.379 3.093
270 HB3 HIS 37 1HB HIS 37 12.299 -5.961 3.447
271 HD1 HIS 37 1HD HIS 37 9.878 -8.408 4.398
272 HD2 HIS 37 2HD HIS 37 12.714 -6.157 6.456
273 HE1 HIS 37 1HE HIS 37 10.316 -9.636 6.525
274 H GLY 38 H GLY 38 9.752 -2.322 3.707
275 HA2 GLY 38 2HA GLY 38 10.537 -0.508 2.426
276 HA3 GLY 38 1HA GLY 38 11.632 -1.601 1.594
277 H ASP 39 H ASP 39 8.716 -3.167 1.661
278 HA ASP 39 HA ASP 39 7.969 -1.967 -0.907
279 HB2 ASP 39 2HB ASP 39 7.773 -4.800 0.040
280 HB3 ASP 39 1HB ASP 39 6.764 -4.200 -1.259
281 H CYS 40 H CYS 40 5.987 -1.306 -1.231
282 HA CYS 40 HA CYS 40 4.279 -1.171 1.103
283 HB2 CYS 40 2HB CYS 40 4.951 0.883 -0.171
284 HB3 CYS 40 1HB CYS 40 4.047 0.261 -1.543
285 H TYR 41 H TYR 41 2.897 -2.734 1.257
286 HA TYR 41 HA TYR 41 1.727 -3.889 -1.142
287 HB2 TYR 41 2HB TYR 41 1.979 -4.883 1.697
288 HB3 TYR 41 1HB TYR 41 0.889 -5.635 0.539
289 HD1 TYR 41 1HD TYR 41 4.541 -4.821 1.091
290 HD2 TYR 41 2HD TYR 41 1.668 -7.244 -0.941
291 HE1 TYR 41 1HE TYR 41 6.323 -6.247 0.259
292 HE2 TYR 41 2HE TYR 41 3.475 -8.666 -1.779
293 HH TYR 41 HH TYR 41 5.937 -8.556 -2.201
294 H CYS 42 H CYS 42 -0.034 -2.969 -1.698
295 HA CYS 42 HA CYS 42 -1.654 -1.517 0.204
296 HB2 CYS 42 2HB CYS 42 -1.896 -1.883 -2.768
297 HB3 CYS 42 1HB CYS 42 -2.946 -0.863 -1.793
298 H TYR 43 H TYR 43 -3.508 -2.200 1.041
299 HA TYR 43 HA TYR 43 -4.460 -4.793 0.131
300 HB2 TYR 43 2HB TYR 43 -4.651 -3.453 2.823
301 HB3 TYR 43 1HB TYR 43 -5.558 -4.905 2.401
302 HD1 TYR 43 1HD TYR 43 -2.111 -3.555 2.705
303 HD2 TYR 43 2HD TYR 43 -4.546 -7.031 2.568
304 HE1 TYR 43 1HE TYR 43 -0.188 -4.923 3.315
305 HE2 TYR 43 2HE TYR 43 -2.632 -8.406 3.186
306 HH TYR 43 HH TYR 43 -0.200 -8.304 3.108
307 H TYR 44 H TYR 44 -6.285 -4.992 -0.725
308 HA TYR 44 HA TYR 44 -8.277 -2.833 -0.574
309 HB2 TYR 44 2HB TYR 44 -7.784 -4.750 -2.878
310 HB3 TYR 44 1HB TYR 44 -8.851 -3.357 -2.875
311 HD1 TYR 44 1HD TYR 44 -7.879 -1.068 -3.015
312 HD2 TYR 44 2HD TYR 44 -5.443 -4.532 -3.305
313 HE1 TYR 44 1HE TYR 44 -6.081 0.286 -3.963
314 HE2 TYR 44 2HE TYR 44 -3.629 -3.183 -4.249
315 HH TYR 44 HH TYR 44 -3.612 0.204 -4.189
316 H HIS 45 H HIS 45 -10.495 -3.925 -1.084
317 HA HIS 45 HA HIS 45 -10.482 -6.658 -0.006
318 HB2 HIS 45 2HB HIS 45 -12.814 -6.394 0.637
319 HB3 HIS 45 1HB HIS 45 -11.900 -5.051 1.294
320 HD1 HIS 45 1HD HIS 45 -14.618 -5.852 -1.244
321 HD2 HIS 45 2HD HIS 45 -12.599 -2.555 0.303
322 HE1 HIS 45 1HE HIS 45 -15.960 -3.836 -1.917
323 H CYS 46 H CYS 46 -11.691 -8.267 -1.041
324 HA CYS 46 HA CYS 46 -12.467 -7.600 -3.758
325 HB2 CYS 46 2HB CYS 46 -11.830 -10.307 -2.559
326 HB3 CYS 46 1HB CYS 46 -12.237 -10.000 -4.242
Start of MODEL 12
1 H1 ALA 1 H ALA 1 -9.891 -11.040 7.941
2 HA ALA 1 HA ALA 1 -12.011 -10.782 6.504
3 HB1 ALA 1 1HB ALA 1 -10.969 -7.944 6.560
4 HB2 ALA 1 2HB ALA 1 -12.481 -8.505 7.275
5 HB3 ALA 1 3HB ALA 1 -12.266 -8.540 5.525
6 H LYS 2 H LYS 2 -11.667 -10.640 4.146
7 HA LYS 2 HA LYS 2 -8.965 -11.423 3.597
8 HB2 LYS 2 2HB LYS 2 -11.376 -11.365 1.786
9 HB3 LYS 2 1HB LYS 2 -9.813 -12.061 1.381
10 HG2 LYS 2 2HG LYS 2 -10.080 -13.676 3.224
11 HG3 LYS 2 1HG LYS 2 -11.674 -12.995 3.555
12 HD2 LYS 2 2HD LYS 2 -12.392 -13.595 1.289
13 HD3 LYS 2 1HD LYS 2 -10.794 -14.280 0.984
14 HE2 LYS 2 2HE LYS 2 -12.357 -16.045 1.519
15 HE3 LYS 2 1HE LYS 2 -11.164 -15.888 2.805
16 HZ1 LYS 2 1HZ LYS 2 -13.919 -14.787 2.868
17 HZ2 LYS 2 2HZ LYS 2 -12.806 -14.683 4.131
18 HZ3 LYS 2 3HZ LYS 2 -13.410 -16.177 3.649
19 H HIS 3 H HIS 3 -7.900 -9.535 3.840
20 HA HIS 3 HA HIS 3 -8.474 -7.391 2.000
21 HB2 HIS 3 2HB HIS 3 -6.359 -7.682 4.127
22 HB3 HIS 3 1HB HIS 3 -6.475 -6.317 3.024
23 HD1 HIS 3 1HD HIS 3 -7.717 -7.444 6.302
24 HD2 HIS 3 2HD HIS 3 -8.960 -4.833 3.309
25 HE1 HIS 3 1HE HIS 3 -9.415 -5.943 7.359
26 H CYS 4 H CYS 4 -7.798 -7.463 0.098
27 HA CYS 4 HA CYS 4 -5.841 -9.339 -0.721
28 HB2 CYS 4 2HB CYS 4 -7.564 -7.359 -2.237
29 HB3 CYS 4 1HB CYS 4 -6.571 -8.612 -2.993
30 H GLY 5 H GLY 5 -3.794 -8.753 -0.472
31 HA2 GLY 5 2HA GLY 5 -3.007 -5.977 -0.565
32 HA3 GLY 5 1HA GLY 5 -1.987 -7.353 -0.160
33 H LYS 6 H LYS 6 -2.424 -5.045 -2.322
34 HA LYS 6 HA LYS 6 -1.782 -6.599 -4.660
35 HB2 LYS 6 2HB LYS 6 -3.273 -4.700 -4.858
36 HB3 LYS 6 1HB LYS 6 -2.019 -3.621 -4.248
37 HG2 LYS 6 2HG LYS 6 -0.731 -3.905 -6.232
38 HG3 LYS 6 1HG LYS 6 -1.775 -5.221 -6.781
39 HD2 LYS 6 2HD LYS 6 -3.649 -3.667 -6.963
40 HD3 LYS 6 1HD LYS 6 -2.620 -2.355 -6.398
41 HE2 LYS 6 2HE LYS 6 -1.277 -2.458 -8.350
42 HE3 LYS 6 1HE LYS 6 -2.032 -3.969 -8.870
43 HZ1 LYS 6 1HZ LYS 6 -2.846 -1.959 -10.044
44 HZ2 LYS 6 2HZ LYS 6 -3.516 -1.414 -8.572
45 HZ3 LYS 6 3HZ LYS 6 -4.040 -2.850 -9.267
46 H HIS 7 H HIS 7 0.131 -6.900 -5.460
47 HA HIS 7 HA HIS 7 2.335 -6.618 -3.758
48 HB2 HIS 7 2HB HIS 7 2.125 -7.583 -6.604
49 HB3 HIS 7 1HB HIS 7 3.519 -7.774 -5.551
50 HD1 HIS 7 1HD HIS 7 0.501 -9.485 -6.586
51 HD2 HIS 7 2HD HIS 7 2.842 -9.378 -3.156
52 HE1 HIS 7 1HE HIS 7 -0.131 -11.526 -5.250
53 H SER 8 H SER 8 4.363 -5.741 -4.384
54 HA SER 8 HA SER 8 4.003 -3.167 -5.672
55 HB2 SER 8 2HB SER 8 4.745 -3.224 -3.291
56 HB3 SER 8 1HB SER 8 6.170 -4.131 -3.785
57 HG SER 8 HG SER 8 5.960 -1.607 -3.617
58 H LYS 9 H LYS 9 4.599 -3.223 -7.698
59 HA LYS 9 HA LYS 9 7.048 -4.657 -8.465
60 HB2 LYS 9 2HB LYS 9 5.905 -5.192 -10.640
61 HB3 LYS 9 1HB LYS 9 5.249 -6.028 -9.241
62 HG2 LYS 9 2HG LYS 9 3.461 -4.285 -9.134
63 HG3 LYS 9 1HG LYS 9 4.066 -3.653 -10.663
64 HD2 LYS 9 2HD LYS 9 3.119 -6.496 -10.255
65 HD3 LYS 9 1HD LYS 9 2.096 -5.202 -10.865
66 HE2 LYS 9 2HE LYS 9 4.658 -6.128 -12.170
67 HE3 LYS 9 1HE LYS 9 3.047 -6.659 -12.640
68 HZ1 LYS 9 1HZ LYS 9 2.495 -4.342 -13.135
69 HZ2 LYS 9 2HZ LYS 9 3.768 -4.883 -14.071
70 HZ3 LYS 9 3HZ LYS 9 4.062 -3.861 -12.766
71 H SER 10 H SER 10 5.583 -1.723 -8.215
72 HA SER 10 HA SER 10 7.455 -0.564 -10.097
73 HB2 SER 10 2HB SER 10 4.488 0.036 -10.175
74 HB3 SER 10 1HB SER 10 5.730 0.845 -11.134
75 HG SER 10 HG SER 10 6.034 -1.753 -11.422
76 H TRP 11 H TRP 11 6.825 -0.689 -7.067
77 HA TRP 11 HA TRP 11 6.780 2.211 -6.702
78 HB2 TRP 11 2HB TRP 11 5.762 0.126 -4.745
79 HB3 TRP 11 1HB TRP 11 5.866 1.849 -4.406
80 HD1 TRP 11 HD TRP 11 4.594 3.073 -6.976
81 HE1 TRP 11 1HE TRP 11 2.114 2.708 -7.547
82 HE3 TRP 11 3HE TRP 11 3.715 -1.094 -4.139
83 HZ2 TRP 11 2HZ TRP 11 0.050 0.900 -6.865
84 HZ3 TRP 11 3HZ TRP 11 1.472 -2.068 -4.150
85 HH2 TRP 11 HH TRP 11 -0.328 -1.088 -5.483
86 H ASN 12 H ASN 12 8.513 3.080 -5.885
87 HA ASN 12 HA ASN 12 10.454 1.351 -4.529
88 HB2 ASN 12 2HB ASN 12 12.295 2.321 -5.808
89 HB3 ASN 12 1HB ASN 12 11.142 1.578 -6.909
90 HD21 ASN 12 1HD2 ASN 12 9.868 2.945 -8.231
91 HD22 ASN 12 2HD2 ASN 12 10.309 4.591 -8.498
92 H GLY 13 H GLY 13 12.314 2.877 -3.669
93 HA2 GLY 13 2HA GLY 13 12.840 5.000 -2.751
94 HA3 GLY 13 1HA GLY 13 11.111 5.336 -2.647
95 H LYS 14 H LYS 14 11.872 5.863 -0.409
96 HA LYS 14 HA LYS 14 12.349 3.571 1.286
97 HB2 LYS 14 2HB LYS 14 13.430 5.738 1.808
98 HB3 LYS 14 1HB LYS 14 11.821 6.442 1.997
99 HG2 LYS 14 2HG LYS 14 12.897 5.980 4.164
100 HG3 LYS 14 1HG LYS 14 11.391 5.097 3.944
101 HD2 LYS 14 2HD LYS 14 12.643 3.080 3.373
102 HD3 LYS 14 1HD LYS 14 14.162 3.962 3.544
103 HE2 LYS 14 2HE LYS 14 13.637 2.598 5.519
104 HE3 LYS 14 1HE LYS 14 13.722 4.314 5.898
105 HZ1 LYS 14 1HZ LYS 14 11.201 2.800 5.440
106 HZ2 LYS 14 2HZ LYS 14 11.317 4.408 5.958
107 HZ3 LYS 14 3HZ LYS 14 11.845 3.155 6.941
108 H CYS 15 H CYS 15 10.865 2.547 2.352
109 HA CYS 15 HA CYS 15 8.114 3.215 1.846
110 HB2 CYS 15 2HB CYS 15 8.851 0.900 1.648
111 HB3 CYS 15 1HB CYS 15 9.337 0.903 3.337
112 H PHE 16 H PHE 16 7.050 4.496 3.091
113 HA PHE 16 HA PHE 16 7.566 4.489 5.964
114 HB2 PHE 16 2HB PHE 16 6.404 6.621 4.158
115 HB3 PHE 16 1HB PHE 16 6.375 6.725 5.912
116 HD1 PHE 16 1HD PHE 16 8.416 7.014 2.879
117 HD2 PHE 16 2HD PHE 16 8.427 7.144 7.136
118 HE1 PHE 16 1HE PHE 16 10.580 8.128 2.836
119 HE2 PHE 16 2HE PHE 16 10.619 8.258 7.084
120 HZ PHE 16 HZ PHE 16 11.696 8.753 4.936
121 H HIS 17 H HIS 17 5.887 3.925 7.202
122 HA HIS 17 HA HIS 17 3.920 2.274 6.051
123 HB2 HIS 17 2HB HIS 17 4.936 1.956 8.287
124 HB3 HIS 17 1HB HIS 17 4.065 3.367 8.862
125 HD1 HIS 17 1HD HIS 17 2.607 2.198 10.566
126 HD2 HIS 17 2HD HIS 17 2.400 0.483 6.793
127 HE1 HIS 17 1HE HIS 17 0.803 0.433 10.702
128 H LYS 18 H LYS 18 3.658 5.449 7.583
129 HA LYS 18 HA LYS 18 0.851 5.660 7.249
130 HB2 LYS 18 2HB LYS 18 2.044 6.919 8.967
131 HB3 LYS 18 1HB LYS 18 2.923 7.809 7.730
132 HG2 LYS 18 2HG LYS 18 0.843 8.812 6.971
133 HG3 LYS 18 1HG LYS 18 -0.047 7.883 8.181
134 HD2 LYS 18 2HD LYS 18 1.204 9.019 9.954
135 HD3 LYS 18 1HD LYS 18 2.075 9.950 8.734
136 HE2 LYS 18 2HE LYS 18 0.247 11.245 9.695
137 HE3 LYS 18 1HE LYS 18 -0.013 10.946 7.978
138 HZ1 LYS 18 1HZ LYS 18 -1.309 9.441 10.203
139 HZ2 LYS 18 2HZ LYS 18 -1.573 9.185 8.558
140 HZ3 LYS 18 3HZ LYS 18 -2.026 10.629 9.267
141 H LYS 19 H LYS 19 3.636 6.716 5.372
142 HA LYS 19 HA LYS 19 2.037 8.185 3.537
143 HB2 LYS 19 2HB LYS 19 4.857 7.184 3.178
144 HB3 LYS 19 1HB LYS 19 4.037 8.311 2.114
145 HG2 LYS 19 2HG LYS 19 3.771 9.862 4.026
146 HG3 LYS 19 1HG LYS 19 4.763 8.771 4.992
147 HD2 LYS 19 2HD LYS 19 6.622 9.076 3.445
148 HD3 LYS 19 1HD LYS 19 5.627 10.130 2.439
149 HE2 LYS 19 2HE LYS 19 6.492 10.634 5.284
150 HE3 LYS 19 1HE LYS 19 7.058 11.472 3.842
151 HZ1 LYS 19 1HZ LYS 19 4.280 11.526 4.897
152 HZ2 LYS 19 2HZ LYS 19 4.787 12.303 3.500
153 HZ3 LYS 19 3HZ LYS 19 5.386 12.789 4.998
154 H CYS 20 H CYS 20 3.244 4.901 3.661
155 HA CYS 20 HA CYS 20 2.422 4.100 1.112
156 HB2 CYS 20 2HB CYS 20 3.830 2.692 2.588
157 HB3 CYS 20 1HB CYS 20 2.469 2.489 3.685
158 H ASN 21 H ASN 21 0.701 4.226 4.210
159 HA ASN 21 HA ASN 21 -1.754 3.247 3.343
160 HB2 ASN 21 2HB ASN 21 -1.317 3.605 5.715
161 HB3 ASN 21 1HB ASN 21 -1.186 5.342 5.459
162 HD21 ASN 21 1HD2 ASN 21 -3.044 6.571 5.342
163 HD22 ASN 21 2HD2 ASN 21 -4.620 5.937 5.571
164 H HIS 22 H HIS 22 -0.634 6.628 3.426
165 HA HIS 22 HA HIS 22 -2.965 7.676 2.208
166 HB2 HIS 22 2HB HIS 22 -0.196 8.834 2.485
167 HB3 HIS 22 1HB HIS 22 -1.486 9.690 1.656
168 HD1 HIS 22 1HD HIS 22 -3.466 10.582 3.165
169 HD2 HIS 22 2HD HIS 22 -0.326 8.813 5.226
170 HE1 HIS 22 1HE HIS 22 -3.757 11.258 5.568
171 H TRP 23 H TRP 23 0.089 6.582 0.847
172 HA TRP 23 HA TRP 23 -0.245 7.375 -1.787
173 HB2 TRP 23 2HB TRP 23 1.861 6.469 -0.985
174 HB3 TRP 23 1HB TRP 23 1.108 4.915 -0.663
175 HD1 TRP 23 HD TRP 23 1.370 3.153 -2.524
176 HE1 TRP 23 1HE TRP 23 2.074 3.188 -5.000
177 HE3 TRP 23 3HE TRP 23 1.660 8.209 -3.213
178 HZ2 TRP 23 2HZ TRP 23 2.654 5.110 -6.981
179 HZ3 TRP 23 3HZ TRP 23 2.281 9.056 -5.435
180 HH2 TRP 23 HH TRP 23 2.768 7.534 -7.270
181 H CYS 24 H CYS 24 -1.010 4.226 -0.366
182 HA CYS 24 HA CYS 24 -2.279 3.189 -2.613
183 HB2 CYS 24 2HB CYS 24 -2.598 2.518 0.306
184 HB3 CYS 24 1HB CYS 24 -3.204 1.524 -1.016
185 H MET 25 H MET 25 -3.518 5.017 0.102
186 HA MET 25 HA MET 25 -6.275 4.820 -0.331
187 HB2 MET 25 2HB MET 25 -5.207 5.707 1.700
188 HB3 MET 25 1HB MET 25 -4.641 7.093 0.790
189 HG2 MET 25 2HG MET 25 -6.950 7.790 0.431
190 HG3 MET 25 1HG MET 25 -7.497 6.388 1.355
191 HE1 MET 25 1HE MET 25 -8.406 9.318 2.108
192 HE2 MET 25 2HE MET 25 -8.235 9.252 3.865
193 HE3 MET 25 3HE MET 25 -8.877 7.864 2.989
194 H GLU 26 H GLU 26 -3.870 7.093 -1.551
195 HA GLU 26 HA GLU 26 -5.769 8.633 -3.033
196 HB2 GLU 26 2HB GLU 26 -3.648 9.537 -2.076
197 HB3 GLU 26 1HB GLU 26 -2.754 8.573 -3.241
198 HG2 GLU 26 2HG GLU 26 -2.912 10.855 -3.995
199 HG3 GLU 26 1HG GLU 26 -3.845 9.805 -5.064
200 H LYS 27 H LYS 27 -3.317 6.221 -3.779
201 HA LYS 27 HA LYS 27 -3.318 6.328 -6.546
202 HB2 LYS 27 2HB LYS 27 -1.645 5.154 -5.089
203 HB3 LYS 27 1HB LYS 27 -2.819 3.877 -4.848
204 HG2 LYS 27 2HG LYS 27 -1.277 3.145 -6.507
205 HG3 LYS 27 1HG LYS 27 -2.801 3.504 -7.321
206 HD2 LYS 27 2HD LYS 27 -1.922 5.692 -7.991
207 HD3 LYS 27 1HD LYS 27 -0.395 5.313 -7.197
208 HE2 LYS 27 2HE LYS 27 -0.169 4.917 -9.560
209 HE3 LYS 27 1HE LYS 27 -0.133 3.377 -8.710
210 HZ1 LYS 27 1HZ LYS 27 -2.517 4.493 -10.096
211 HZ2 LYS 27 2HZ LYS 27 -2.407 2.972 -9.364
212 HZ3 LYS 27 3HZ LYS 27 -1.493 3.323 -10.726
213 H GLU 28 H GLU 28 -5.084 3.946 -4.496
214 HA GLU 28 HA GLU 28 -6.975 3.667 -6.719
215 HB2 GLU 28 2HB GLU 28 -5.490 1.456 -5.386
216 HB3 GLU 28 1HB GLU 28 -6.951 1.140 -6.283
217 HG2 GLU 28 2HG GLU 28 -5.776 2.293 -8.227
218 HG3 GLU 28 1HG GLU 28 -4.318 2.211 -7.250
219 H ASP 29 H ASP 29 -6.929 4.736 -3.862
220 HA ASP 29 HA ASP 29 -8.161 4.769 -2.001
221 HB2 ASP 29 2HB ASP 29 -9.983 5.382 -3.561
222 HB3 ASP 29 1HB ASP 29 -10.352 3.683 -3.812
223 H ALA 30 H ALA 30 -6.731 3.212 -1.248
224 HA ALA 30 HA ALA 30 -7.819 0.523 -0.917
225 HB1 ALA 30 1HB ALA 30 -5.530 0.731 -1.717
226 HB2 ALA 30 2HB ALA 30 -5.584 -0.059 -0.135
227 HB3 ALA 30 3HB ALA 30 -5.099 1.639 -0.265
228 H LYS 31 H LYS 31 -7.732 -0.387 1.241
229 HA LYS 31 HA LYS 31 -8.824 1.553 3.066
230 HB2 LYS 31 2HB LYS 31 -8.335 -1.398 3.490
231 HB3 LYS 31 1HB LYS 31 -9.048 -0.346 4.702
232 HG2 LYS 31 2HG LYS 31 -10.824 0.207 2.985
233 HG3 LYS 31 1HG LYS 31 -10.158 -1.112 2.028
234 HD2 LYS 31 2HD LYS 31 -10.598 -2.686 3.819
235 HD3 LYS 31 1HD LYS 31 -11.192 -1.384 4.847
236 HE2 LYS 31 2HE LYS 31 -12.413 -2.257 2.228
237 HE3 LYS 31 1HE LYS 31 -13.017 -2.673 3.828
238 HZ1 LYS 31 1HZ LYS 31 -13.521 -0.309 4.207
239 HZ2 LYS 31 2HZ LYS 31 -14.223 -0.828 2.765
240 HZ3 LYS 31 3HZ LYS 31 -12.842 0.086 2.723
241 H TYR 32 H TYR 32 -5.846 -0.211 2.787
242 HA TYR 32 HA TYR 32 -4.538 1.785 4.292
243 HB2 TYR 32 2HB TYR 32 -3.567 0.330 6.018
244 HB3 TYR 32 1HB TYR 32 -5.311 0.449 6.204
245 HD1 TYR 32 1HD TYR 32 -2.473 -1.742 5.729
246 HD2 TYR 32 2HD TYR 32 -6.719 -1.550 5.540
247 HE1 TYR 32 1HE TYR 32 -2.578 -4.190 5.829
248 HE2 TYR 32 2HE TYR 32 -6.834 -4.013 5.637
249 HH TYR 32 HH TYR 32 -4.140 -5.942 6.442
250 H GLY 33 H GLY 33 -2.220 1.339 4.404
251 HA2 GLY 33 2HA GLY 33 -1.320 -0.434 2.248
252 HA3 GLY 33 1HA GLY 33 -0.635 1.185 2.501
253 H SER 34 H SER 34 0.096 -1.830 2.880
254 HA SER 34 HA SER 34 1.106 -1.588 5.612
255 HB2 SER 34 2HB SER 34 -0.317 -3.549 5.189
256 HB3 SER 34 1HB SER 34 0.724 -4.017 3.851
257 HG SER 34 HG SER 34 1.585 -3.790 6.542
258 H CYS 35 H CYS 35 3.280 -1.867 5.984
259 HA CYS 35 HA CYS 35 4.924 -1.660 3.583
260 HB2 CYS 35 2HB CYS 35 5.067 0.194 5.306
261 HB3 CYS 35 1HB CYS 35 5.722 -0.995 6.428
262 H SER 36 H SER 36 5.483 -3.594 3.012
263 HA SER 36 HA SER 36 6.150 -5.581 5.060
264 HB2 SER 36 2HB SER 36 4.321 -6.241 3.565
265 HB3 SER 36 1HB SER 36 5.335 -5.938 2.163
266 HG SER 36 HG SER 36 5.183 -8.156 2.758
267 H HIS 37 H HIS 37 8.234 -5.549 5.450
268 HA HIS 37 HA HIS 37 10.458 -5.683 5.244
269 HB2 HIS 37 2HB HIS 37 9.676 -6.992 2.645
270 HB3 HIS 37 1HB HIS 37 11.345 -6.889 3.188
271 HD1 HIS 37 1HD HIS 37 12.121 -8.772 4.666
272 HD2 HIS 37 2HD HIS 37 7.981 -8.464 4.508
273 HE1 HIS 37 1HE HIS 37 11.234 -10.761 5.928
274 H GLY 38 H GLY 38 9.168 -3.254 4.332
275 HA2 GLY 38 2HA GLY 38 10.266 -1.260 3.781
276 HA3 GLY 38 1HA GLY 38 11.495 -2.197 2.943
277 H ASP 39 H ASP 39 8.288 -3.101 2.162
278 HA ASP 39 HA ASP 39 8.277 -1.220 -0.080
279 HB2 ASP 39 2HB ASP 39 7.734 -4.164 -0.199
280 HB3 ASP 39 1HB ASP 39 7.106 -3.068 -1.412
281 H CYS 40 H CYS 40 6.316 -0.637 -0.904
282 HA CYS 40 HA CYS 40 4.258 -0.541 1.127
283 HB2 CYS 40 2HB CYS 40 5.023 1.523 -0.019
284 HB3 CYS 40 1HB CYS 40 4.474 0.858 -1.550
285 H TYR 41 H TYR 41 2.572 -1.827 1.078
286 HA TYR 41 HA TYR 41 1.724 -3.058 -1.450
287 HB2 TYR 41 2HB TYR 41 1.848 -4.226 1.331
288 HB3 TYR 41 1HB TYR 41 0.864 -4.934 0.059
289 HD1 TYR 41 1HD TYR 41 1.793 -6.538 -1.331
290 HD2 TYR 41 2HD TYR 41 4.450 -3.998 0.843
291 HE1 TYR 41 1HE TYR 41 3.713 -7.896 -2.037
292 HE2 TYR 41 2HE TYR 41 6.314 -5.355 0.148
293 HH TYR 41 HH TYR 41 6.745 -7.646 -0.593
294 H CYS 42 H CYS 42 -0.268 -2.534 -1.985
295 HA CYS 42 HA CYS 42 -1.880 -0.970 -0.136
296 HB2 CYS 42 2HB CYS 42 -2.237 -1.549 -3.076
297 HB3 CYS 42 1HB CYS 42 -3.177 -0.395 -2.134
298 H TYR 43 H TYR 43 -3.636 -1.783 0.920
299 HA TYR 43 HA TYR 43 -4.530 -4.402 0.020
300 HB2 TYR 43 2HB TYR 43 -4.464 -3.206 2.770
301 HB3 TYR 43 1HB TYR 43 -5.459 -4.612 2.397
302 HD1 TYR 43 1HD TYR 43 -4.507 -6.728 2.672
303 HD2 TYR 43 2HD TYR 43 -1.954 -3.408 1.968
304 HE1 TYR 43 1HE TYR 43 -2.556 -8.186 2.893
305 HE2 TYR 43 2HE TYR 43 -0.021 -4.822 2.181
306 HH TYR 43 HH TYR 43 0.606 -6.971 3.180
307 H TYR 44 H TYR 44 -6.339 -4.725 -0.758
308 HA TYR 44 HA TYR 44 -8.513 -2.759 -0.432
309 HB2 TYR 44 2HB TYR 44 -8.108 -4.662 -2.755
310 HB3 TYR 44 1HB TYR 44 -9.228 -3.312 -2.658
311 HD1 TYR 44 1HD TYR 44 -8.250 -0.966 -2.586
312 HD2 TYR 44 2HD TYR 44 -5.964 -4.387 -3.632
313 HE1 TYR 44 1HE TYR 44 -6.587 0.473 -3.602
314 HE2 TYR 44 2HE TYR 44 -4.276 -2.953 -4.674
315 HH TYR 44 HH TYR 44 -4.203 -0.580 -5.711
316 H HIS 45 H HIS 45 -10.391 -3.667 0.288
317 HA HIS 45 HA HIS 45 -10.299 -6.472 1.010
318 HB2 HIS 45 2HB HIS 45 -11.209 -4.782 2.610
319 HB3 HIS 45 1HB HIS 45 -12.481 -4.412 1.459
320 HD1 HIS 45 1HD HIS 45 -14.434 -5.162 2.933
321 HD2 HIS 45 2HD HIS 45 -11.530 -8.091 2.439
322 HE1 HIS 45 1HE HIS 45 -15.398 -7.283 3.921
323 H CYS 46 H CYS 46 -10.837 -7.926 -0.478
324 HA CYS 46 HA CYS 46 -12.267 -7.149 -2.768
325 HB2 CYS 46 2HB CYS 46 -11.315 -9.861 -1.852
326 HB3 CYS 46 1HB CYS 46 -12.074 -9.568 -3.415
Start of MODEL 13
1 H1 ALA 1 H ALA 1 -10.262 -13.493 8.012
2 HA ALA 1 HA ALA 1 -11.820 -11.692 7.608
3 HB1 ALA 1 1HB ALA 1 -9.533 -9.913 8.435
4 HB2 ALA 1 2HB ALA 1 -10.966 -10.270 9.403
5 HB3 ALA 1 3HB ALA 1 -11.121 -9.387 7.884
6 H LYS 2 H LYS 2 -11.998 -10.605 5.598
7 HA LYS 2 HA LYS 2 -9.956 -11.493 3.789
8 HB2 LYS 2 2HB LYS 2 -11.547 -10.788 1.979
9 HB3 LYS 2 1HB LYS 2 -12.148 -12.029 3.060
10 HG2 LYS 2 2HG LYS 2 -13.479 -10.338 4.244
11 HG3 LYS 2 1HG LYS 2 -12.871 -9.104 3.141
12 HD2 LYS 2 2HD LYS 2 -13.876 -10.301 1.249
13 HD3 LYS 2 1HD LYS 2 -14.470 -11.538 2.353
14 HE2 LYS 2 2HE LYS 2 -16.224 -9.932 1.766
15 HE3 LYS 2 1HE LYS 2 -15.856 -9.892 3.489
16 HZ1 LYS 2 1HZ LYS 2 -14.518 -7.923 3.107
17 HZ2 LYS 2 2HZ LYS 2 -16.087 -7.667 2.590
18 HZ3 LYS 2 3HZ LYS 2 -14.871 -7.941 1.464
19 H HIS 3 H HIS 3 -8.233 -10.263 3.966
20 HA HIS 3 HA HIS 3 -8.484 -7.461 3.109
21 HB2 HIS 3 2HB HIS 3 -6.341 -8.778 4.834
22 HB3 HIS 3 1HB HIS 3 -6.194 -7.159 4.172
23 HD1 HIS 3 1HD HIS 3 -6.314 -5.710 6.260
24 HD2 HIS 3 2HD HIS 3 -9.271 -8.616 6.153
25 HE1 HIS 3 1HE HIS 3 -7.769 -5.293 8.271
26 H CYS 4 H CYS 4 -7.198 -6.922 1.296
27 HA CYS 4 HA CYS 4 -6.029 -9.304 0.069
28 HB2 CYS 4 2HB CYS 4 -8.107 -8.720 -0.915
29 HB3 CYS 4 1HB CYS 4 -7.583 -7.063 -1.141
30 H GLY 5 H GLY 5 -4.019 -9.004 0.528
31 HA2 GLY 5 2HA GLY 5 -2.675 -6.490 -0.060
32 HA3 GLY 5 1HA GLY 5 -1.953 -7.904 0.706
33 H LYS 6 H LYS 6 -2.305 -6.186 -2.098
34 HA LYS 6 HA LYS 6 -1.573 -8.447 -3.824
35 HB2 LYS 6 2HB LYS 6 -2.311 -5.600 -4.504
36 HB3 LYS 6 1HB LYS 6 -1.958 -6.864 -5.666
37 HG2 LYS 6 2HG LYS 6 -3.933 -8.102 -4.920
38 HG3 LYS 6 1HG LYS 6 -4.264 -6.850 -3.725
39 HD2 LYS 6 2HD LYS 6 -5.671 -6.502 -5.665
40 HD3 LYS 6 1HD LYS 6 -4.495 -5.205 -5.544
41 HE2 LYS 6 2HE LYS 6 -4.700 -5.897 -7.846
42 HE3 LYS 6 1HE LYS 6 -3.103 -6.312 -7.251
43 HZ1 LYS 6 1HZ LYS 6 -3.848 -8.613 -6.981
44 HZ2 LYS 6 2HZ LYS 6 -4.087 -8.091 -8.564
45 HZ3 LYS 6 3HZ LYS 6 -5.384 -8.191 -7.510
46 H HIS 7 H HIS 7 0.240 -8.091 -5.322
47 HA HIS 7 HA HIS 7 2.470 -6.808 -4.094
48 HB2 HIS 7 2HB HIS 7 2.632 -8.756 -5.745
49 HB3 HIS 7 1HB HIS 7 2.157 -7.627 -7.008
50 HD1 HIS 7 1HD HIS 7 3.992 -6.009 -7.894
51 HD2 HIS 7 2HD HIS 7 5.206 -8.394 -4.720
52 HE1 HIS 7 1HE HIS 7 6.483 -5.742 -7.749
53 H SER 8 H SER 8 3.053 -4.703 -4.375
54 HA SER 8 HA SER 8 0.941 -3.148 -5.558
55 HB2 SER 8 2HB SER 8 3.192 -2.316 -3.751
56 HB3 SER 8 1HB SER 8 1.774 -1.349 -4.186
57 HG SER 8 HG SER 8 1.365 -3.911 -3.210
58 H LYS 9 H LYS 9 1.104 -1.851 -7.207
59 HA LYS 9 HA LYS 9 3.420 -1.968 -8.934
60 HB2 LYS 9 2HB LYS 9 0.966 -0.235 -9.186
61 HB3 LYS 9 1HB LYS 9 2.100 -0.616 -10.467
62 HG2 LYS 9 2HG LYS 9 1.352 -2.998 -10.288
63 HG3 LYS 9 1HG LYS 9 0.115 -2.459 -9.151
64 HD2 LYS 9 2HD LYS 9 0.422 -1.632 -12.046
65 HD3 LYS 9 1HD LYS 9 -0.860 -2.624 -11.360
66 HE2 LYS 9 2HE LYS 9 -0.347 0.288 -10.713
67 HE3 LYS 9 1HE LYS 9 -1.577 -0.318 -11.807
68 HZ1 LYS 9 1HZ LYS 9 -2.745 -1.306 -10.022
69 HZ2 LYS 9 2HZ LYS 9 -2.348 0.254 -9.519
70 HZ3 LYS 9 3HZ LYS 9 -1.490 -1.061 -8.933
71 H SER 10 H SER 10 2.227 -0.041 -6.441
72 HA SER 10 HA SER 10 3.570 2.378 -7.209
73 HB2 SER 10 2HB SER 10 2.272 1.689 -4.564
74 HB3 SER 10 1HB SER 10 2.577 3.298 -5.228
75 HG SER 10 HG SER 10 0.517 1.566 -5.698
76 H TRP 11 H TRP 11 5.676 1.380 -7.386
77 HA TRP 11 HA TRP 11 6.877 0.246 -5.089
78 HB2 TRP 11 2HB TRP 11 9.035 0.301 -6.395
79 HB3 TRP 11 1HB TRP 11 7.722 -0.602 -7.131
80 HD1 TRP 11 HD TRP 11 9.439 2.854 -7.472
81 HE1 TRP 11 1HE TRP 11 9.319 3.557 -9.945
82 HE3 TRP 11 3HE TRP 11 6.690 -1.044 -9.271
83 HZ2 TRP 11 2HZ TRP 11 8.211 2.555 -12.358
84 HZ3 TRP 11 3HZ TRP 11 6.155 -1.113 -11.664
85 HH2 TRP 11 HH TRP 11 6.900 0.656 -13.174
86 H ASN 12 H ASN 12 8.403 0.928 -3.793
87 HA ASN 12 HA ASN 12 8.372 3.826 -3.331
88 HB2 ASN 12 2HB ASN 12 8.868 3.218 -0.961
89 HB3 ASN 12 1HB ASN 12 7.333 2.582 -1.532
90 HD21 ASN 12 1HD2 ASN 12 10.569 1.759 -0.454
91 HD22 ASN 12 2HD2 ASN 12 10.282 0.074 -0.351
92 H GLY 13 H GLY 13 10.248 4.913 -2.840
93 HA2 GLY 13 2HA GLY 13 12.760 3.650 -3.543
94 HA3 GLY 13 1HA GLY 13 12.533 5.333 -3.042
95 H LYS 14 H LYS 14 11.265 5.161 -0.715
96 HA LYS 14 HA LYS 14 12.667 3.257 0.968
97 HB2 LYS 14 2HB LYS 14 13.636 5.547 1.200
98 HB3 LYS 14 1HB LYS 14 12.028 6.142 1.594
99 HG2 LYS 14 2HG LYS 14 13.347 5.919 3.560
100 HG3 LYS 14 1HG LYS 14 12.004 4.784 3.615
101 HD2 LYS 14 2HD LYS 14 13.986 3.649 4.433
102 HD3 LYS 14 1HD LYS 14 13.572 2.981 2.860
103 HE2 LYS 14 2HE LYS 14 15.308 4.354 1.816
104 HE3 LYS 14 1HE LYS 14 15.698 5.058 3.387
105 HZ1 LYS 14 1HZ LYS 14 17.244 3.301 2.818
106 HZ2 LYS 14 2HZ LYS 14 16.011 2.196 2.623
107 HZ3 LYS 14 3HZ LYS 14 16.337 2.828 4.149
108 H CYS 15 H CYS 15 11.277 2.345 2.483
109 HA CYS 15 HA CYS 15 8.497 2.706 1.804
110 HB2 CYS 15 2HB CYS 15 9.442 0.457 1.822
111 HB3 CYS 15 1HB CYS 15 9.799 0.628 3.536
112 H PHE 16 H PHE 16 7.526 4.288 2.847
113 HA PHE 16 HA PHE 16 7.673 4.256 5.765
114 HB2 PHE 16 2HB PHE 16 6.764 6.442 3.874
115 HB3 PHE 16 1HB PHE 16 6.586 6.520 5.622
116 HD1 PHE 16 1HD PHE 16 8.839 6.829 2.808
117 HD2 PHE 16 2HD PHE 16 8.564 6.732 7.052
118 HE1 PHE 16 1HE PHE 16 11.083 7.787 2.975
119 HE2 PHE 16 2HE PHE 16 10.812 7.692 7.221
120 HZ PHE 16 HZ PHE 16 12.077 8.221 5.175
121 H HIS 17 H HIS 17 6.015 3.318 6.693
122 HA HIS 17 HA HIS 17 3.947 2.166 5.232
123 HB2 HIS 17 2HB HIS 17 2.871 1.604 7.385
124 HB3 HIS 17 1HB HIS 17 4.587 1.241 7.394
125 HD1 HIS 17 1HD HIS 17 2.010 3.407 9.053
126 HD2 HIS 17 2HD HIS 17 6.118 2.784 9.158
127 HE1 HIS 17 1HE HIS 17 2.841 4.615 11.087
128 H LYS 18 H LYS 18 3.986 5.208 6.995
129 HA LYS 18 HA LYS 18 1.257 5.820 6.709
130 HB2 LYS 18 2HB LYS 18 2.688 7.013 8.295
131 HB3 LYS 18 1HB LYS 18 3.643 7.651 6.972
132 HG2 LYS 18 2HG LYS 18 1.779 8.971 6.195
133 HG3 LYS 18 1HG LYS 18 0.735 8.275 7.434
134 HD2 LYS 18 2HD LYS 18 2.042 9.291 9.177
135 HD3 LYS 18 1HD LYS 18 3.235 9.854 8.007
136 HE2 LYS 18 2HE LYS 18 1.736 11.657 8.707
137 HE3 LYS 18 1HE LYS 18 1.581 11.312 6.989
138 HZ1 LYS 18 1HZ LYS 18 -0.528 11.676 8.043
139 HZ2 LYS 18 2HZ LYS 18 -0.320 10.428 9.117
140 HZ3 LYS 18 3HZ LYS 18 -0.492 10.113 7.461
141 H LYS 19 H LYS 19 4.057 6.632 4.712
142 HA LYS 19 HA LYS 19 2.579 8.153 2.833
143 HB2 LYS 19 2HB LYS 19 5.259 6.803 2.580
144 HB3 LYS 19 1HB LYS 19 4.572 7.844 1.349
145 HG2 LYS 19 2HG LYS 19 5.094 8.732 4.172
146 HG3 LYS 19 1HG LYS 19 6.230 8.964 2.845
147 HD2 LYS 19 2HD LYS 19 4.523 10.279 1.639
148 HD3 LYS 19 1HD LYS 19 3.406 10.051 2.983
149 HE2 LYS 19 2HE LYS 19 4.485 12.251 3.058
150 HE3 LYS 19 1HE LYS 19 4.900 11.273 4.461
151 HZ1 LYS 19 1HZ LYS 19 6.813 12.448 3.535
152 HZ2 LYS 19 2HZ LYS 19 6.665 11.602 2.074
153 HZ3 LYS 19 3HZ LYS 19 7.023 10.787 3.487
154 H CYS 20 H CYS 20 3.578 4.786 2.928
155 HA CYS 20 HA CYS 20 2.625 3.967 0.435
156 HB2 CYS 20 2HB CYS 20 4.027 2.549 1.877
157 HB3 CYS 20 1HB CYS 20 2.741 2.464 3.069
158 H ASN 21 H ASN 21 1.032 4.102 3.596
159 HA ASN 21 HA ASN 21 -1.483 3.184 2.899
160 HB2 ASN 21 2HB ASN 21 -0.859 3.395 5.207
161 HB3 ASN 21 1HB ASN 21 -0.583 5.115 5.038
162 HD21 ASN 21 1HD2 ASN 21 -3.472 3.665 3.607
163 HD22 ASN 21 2HD2 ASN 21 -4.538 4.325 4.783
164 H HIS 22 H HIS 22 -0.506 6.558 3.270
165 HA HIS 22 HA HIS 22 -2.910 7.612 2.323
166 HB2 HIS 22 2HB HIS 22 -0.187 8.870 2.516
167 HB3 HIS 22 1HB HIS 22 -1.604 9.752 1.959
168 HD1 HIS 22 1HD HIS 22 -3.318 10.465 3.745
169 HD2 HIS 22 2HD HIS 22 -0.181 8.193 5.214
170 HE1 HIS 22 1HE HIS 22 -3.492 10.600 6.236
171 H TRP 23 H TRP 23 0.146 7.177 0.559
172 HA TRP 23 HA TRP 23 -0.730 8.383 -1.808
173 HB2 TRP 23 2HB TRP 23 1.648 7.878 -1.201
174 HB3 TRP 23 1HB TRP 23 1.324 6.188 -1.544
175 HD1 TRP 23 HD TRP 23 0.749 5.601 -4.207
176 HE1 TRP 23 1HE TRP 23 1.669 6.735 -6.348
177 HE3 TRP 23 3HE TRP 23 2.378 10.005 -2.185
178 HZ2 TRP 23 2HZ TRP 23 2.886 9.143 -7.063
179 HZ3 TRP 23 3HZ TRP 23 3.410 11.668 -3.670
180 HH2 TRP 23 HH TRP 23 3.659 11.244 -6.058
181 H CYS 24 H CYS 24 -0.754 4.952 -0.786
182 HA CYS 24 HA CYS 24 -1.734 4.153 -3.324
183 HB2 CYS 24 2HB CYS 24 -0.545 2.658 -1.453
184 HB3 CYS 24 1HB CYS 24 -2.186 2.485 -0.903
185 H MET 25 H MET 25 -3.270 4.993 -0.273
186 HA MET 25 HA MET 25 -5.907 4.181 -0.906
187 HB2 MET 25 2HB MET 25 -5.251 4.723 1.375
188 HB3 MET 25 1HB MET 25 -4.873 6.369 0.899
189 HG2 MET 25 2HG MET 25 -7.241 6.756 0.408
190 HG3 MET 25 1HG MET 25 -7.613 5.116 0.934
191 HE1 MET 25 1HE MET 25 -4.954 7.567 2.608
192 HE2 MET 25 2HE MET 25 -5.985 8.418 3.758
193 HE3 MET 25 3HE MET 25 -6.227 8.635 2.026
194 H GLU 26 H GLU 26 -4.182 7.199 -1.294
195 HA GLU 26 HA GLU 26 -6.244 8.773 -2.368
196 HB2 GLU 26 2HB GLU 26 -4.252 9.668 -1.307
197 HB3 GLU 26 1HB GLU 26 -3.237 8.943 -2.534
198 HG2 GLU 26 2HG GLU 26 -3.453 11.313 -2.887
199 HG3 GLU 26 1HG GLU 26 -4.211 10.417 -4.202
200 H LYS 27 H LYS 27 -3.542 7.072 -3.893
201 HA LYS 27 HA LYS 27 -4.417 7.890 -6.499
202 HB2 LYS 27 2HB LYS 27 -2.068 6.276 -5.575
203 HB3 LYS 27 1HB LYS 27 -2.356 6.679 -7.258
204 HG2 LYS 27 2HG LYS 27 -2.065 8.701 -5.050
205 HG3 LYS 27 1HG LYS 27 -0.750 8.185 -6.107
206 HD2 LYS 27 2HD LYS 27 -1.868 9.073 -8.037
207 HD3 LYS 27 1HD LYS 27 -3.331 9.397 -7.115
208 HE2 LYS 27 2HE LYS 27 -1.965 11.415 -7.548
209 HE3 LYS 27 1HE LYS 27 -2.238 11.088 -5.839
210 HZ1 LYS 27 1HZ LYS 27 -0.033 10.178 -5.679
211 HZ2 LYS 27 2HZ LYS 27 0.031 11.739 -6.301
212 HZ3 LYS 27 3HZ LYS 27 0.247 10.427 -7.331
213 H GLU 28 H GLU 28 -3.969 4.676 -4.988
214 HA GLU 28 HA GLU 28 -5.106 3.515 -7.440
215 HB2 GLU 28 2HB GLU 28 -3.731 2.173 -5.120
216 HB3 GLU 28 1HB GLU 28 -4.157 1.435 -6.656
217 HG2 GLU 28 2HG GLU 28 -2.193 3.689 -6.311
218 HG3 GLU 28 1HG GLU 28 -1.764 1.988 -6.460
219 H ASP 29 H ASP 29 -6.179 4.609 -4.643
220 HA ASP 29 HA ASP 29 -7.711 4.217 -3.108
221 HB2 ASP 29 2HB ASP 29 -9.300 4.557 -4.941
222 HB3 ASP 29 1HB ASP 29 -9.232 2.843 -5.347
223 H ALA 30 H ALA 30 -6.067 2.960 -2.230
224 HA ALA 30 HA ALA 30 -6.757 0.156 -1.889
225 HB1 ALA 30 1HB ALA 30 -4.758 0.078 -0.454
226 HB2 ALA 30 2HB ALA 30 -4.544 1.816 -0.669
227 HB3 ALA 30 3HB ALA 30 -4.378 0.730 -2.048
228 H LYS 31 H LYS 31 -7.099 -0.617 0.280
229 HA LYS 31 HA LYS 31 -8.890 1.096 1.739
230 HB2 LYS 31 2HB LYS 31 -7.667 -1.517 2.639
231 HB3 LYS 31 1HB LYS 31 -9.093 -0.742 3.304
232 HG2 LYS 31 2HG LYS 31 -10.233 -1.103 1.118
233 HG3 LYS 31 1HG LYS 31 -8.809 -1.990 0.575
234 HD2 LYS 31 2HD LYS 31 -10.333 -3.632 1.333
235 HD3 LYS 31 1HD LYS 31 -9.124 -3.471 2.603
236 HE2 LYS 31 2HE LYS 31 -10.628 -1.892 3.754
237 HE3 LYS 31 1HE LYS 31 -11.865 -2.240 2.560
238 HZ1 LYS 31 1HZ LYS 31 -10.660 -4.189 4.442
239 HZ2 LYS 31 2HZ LYS 31 -11.804 -4.571 3.247
240 HZ3 LYS 31 3HZ LYS 31 -12.212 -3.561 4.510
241 H TYR 32 H TYR 32 -5.673 -0.224 2.078
242 HA TYR 32 HA TYR 32 -4.665 2.053 3.353
243 HB2 TYR 32 2HB TYR 32 -3.930 0.992 5.460
244 HB3 TYR 32 1HB TYR 32 -5.685 1.003 5.368
245 HD1 TYR 32 1HD TYR 32 -2.689 -1.015 5.609
246 HD2 TYR 32 2HD TYR 32 -6.890 -1.178 4.930
247 HE1 TYR 32 1HE TYR 32 -2.664 -3.394 6.071
248 HE2 TYR 32 2HE TYR 32 -6.865 -3.598 5.404
249 HH TYR 32 HH TYR 32 -4.118 -5.144 6.749
250 H GLY 33 H GLY 33 -2.250 1.666 3.762
251 HA2 GLY 33 2HA GLY 33 -1.224 -0.571 2.216
252 HA3 GLY 33 1HA GLY 33 -0.665 1.076 1.900
253 H SER 34 H SER 34 0.501 -1.468 3.202
254 HA SER 34 HA SER 34 1.588 -0.040 5.515
255 HB2 SER 34 2HB SER 34 0.829 -2.974 5.437
256 HB3 SER 34 1HB SER 34 1.626 -2.152 6.777
257 HG SER 34 HG SER 34 -0.247 -0.721 6.774
258 H CYS 35 H CYS 35 3.653 -1.371 6.289
259 HA CYS 35 HA CYS 35 5.208 -1.747 3.834
260 HB2 CYS 35 2HB CYS 35 5.792 0.116 5.553
261 HB3 CYS 35 1HB CYS 35 6.301 -1.215 6.588
262 H SER 36 H SER 36 6.121 -3.592 3.472
263 HA SER 36 HA SER 36 6.477 -5.475 5.644
264 HB2 SER 36 2HB SER 36 5.010 -6.117 3.071
265 HB3 SER 36 1HB SER 36 5.478 -7.285 4.308
266 HG SER 36 HG SER 36 4.168 -5.195 5.371
267 H HIS 37 H HIS 37 8.481 -6.108 5.551
268 HA HIS 37 HA HIS 37 10.545 -6.695 4.892
269 HB2 HIS 37 2HB HIS 37 9.238 -7.188 2.200
270 HB3 HIS 37 1HB HIS 37 10.887 -7.651 2.604
271 HD1 HIS 37 1HD HIS 37 7.882 -9.328 2.143
272 HD2 HIS 37 2HD HIS 37 10.558 -9.179 5.315
273 HE1 HIS 37 1HE HIS 37 7.500 -11.422 3.451
274 H GLY 38 H GLY 38 9.419 -3.927 4.486
275 HA2 GLY 38 2HA GLY 38 10.555 -1.948 4.026
276 HA3 GLY 38 1HA GLY 38 11.751 -2.878 3.128
277 H ASP 39 H ASP 39 8.605 -3.704 2.290
278 HA ASP 39 HA ASP 39 8.694 -1.881 -0.001
279 HB2 ASP 39 2HB ASP 39 7.790 -4.746 0.150
280 HB3 ASP 39 1HB ASP 39 7.372 -3.722 -1.211
281 H CYS 40 H CYS 40 6.811 -0.983 -0.639
282 HA CYS 40 HA CYS 40 4.712 -0.648 1.263
283 HB2 CYS 40 2HB CYS 40 5.372 1.195 -0.180
284 HB3 CYS 40 1HB CYS 40 5.059 0.238 -1.615
285 H TYR 41 H TYR 41 2.989 -1.908 1.483
286 HA TYR 41 HA TYR 41 2.135 -3.498 -0.803
287 HB2 TYR 41 2HB TYR 41 2.373 -4.288 2.072
288 HB3 TYR 41 1HB TYR 41 1.161 -5.046 1.051
289 HD1 TYR 41 1HD TYR 41 4.836 -4.465 1.371
290 HD2 TYR 41 2HD TYR 41 1.737 -6.781 -0.404
291 HE1 TYR 41 1HE TYR 41 6.482 -6.075 0.590
292 HE2 TYR 41 2HE TYR 41 3.391 -8.382 -1.209
293 HH TYR 41 HH TYR 41 5.771 -8.554 -1.663
294 H CYS 42 H CYS 42 0.411 -2.804 -1.533
295 HA CYS 42 HA CYS 42 -1.466 -1.257 -0.006
296 HB2 CYS 42 2HB CYS 42 -1.492 -2.216 -2.853
297 HB3 CYS 42 1HB CYS 42 -2.659 -1.114 -2.144
298 H TYR 43 H TYR 43 -3.245 -2.011 0.899
299 HA TYR 43 HA TYR 43 -4.088 -4.717 0.237
300 HB2 TYR 43 2HB TYR 43 -4.439 -3.124 2.787
301 HB3 TYR 43 1HB TYR 43 -5.173 -4.699 2.492
302 HD1 TYR 43 1HD TYR 43 -3.894 -6.703 2.698
303 HD2 TYR 43 2HD TYR 43 -1.961 -2.934 2.963
304 HE1 TYR 43 1HE TYR 43 -1.864 -7.809 3.477
305 HE2 TYR 43 2HE TYR 43 0.076 -4.009 3.735
306 HH TYR 43 HH TYR 43 0.659 -7.273 3.478
307 H TYR 44 H TYR 44 -5.790 -4.841 -0.883
308 HA TYR 44 HA TYR 44 -7.649 -2.566 -1.035
309 HB2 TYR 44 2HB TYR 44 -7.134 -4.769 -3.047
310 HB3 TYR 44 1HB TYR 44 -8.242 -3.424 -3.256
311 HD1 TYR 44 1HD TYR 44 -4.831 -4.554 -3.488
312 HD2 TYR 44 2HD TYR 44 -7.315 -1.119 -3.508
313 HE1 TYR 44 1HE TYR 44 -3.020 -3.273 -4.503
314 HE2 TYR 44 2HE TYR 44 -5.542 0.191 -4.498
315 HH TYR 44 HH TYR 44 -3.012 0.091 -4.613
316 H HIS 45 H HIS 45 -9.901 -3.313 -1.593
317 HA HIS 45 HA HIS 45 -10.581 -5.688 -0.115
318 HB2 HIS 45 2HB HIS 45 -12.992 -5.026 -0.650
319 HB3 HIS 45 1HB HIS 45 -12.108 -3.903 0.358
320 HD1 HIS 45 1HD HIS 45 -12.404 -1.466 -0.342
321 HD2 HIS 45 2HD HIS 45 -13.055 -4.122 -3.479
322 HE1 HIS 45 1HE HIS 45 -13.171 -0.084 -2.267
323 H CYS 46 H CYS 46 -10.582 -7.621 -1.015
324 HA CYS 46 HA CYS 46 -11.377 -7.850 -3.802
325 HB2 CYS 46 2HB CYS 46 -9.298 -9.490 -2.323
326 HB3 CYS 46 1HB CYS 46 -9.882 -9.807 -3.939
Start of MODEL 14
1 H1 ALA 1 H ALA 1 -10.062 -9.745 8.119
2 HA ALA 1 HA ALA 1 -11.495 -7.973 6.590
3 HB1 ALA 1 1HB ALA 1 -8.810 -6.782 7.270
4 HB2 ALA 1 2HB ALA 1 -10.383 -6.113 7.721
5 HB3 ALA 1 3HB ALA 1 -9.909 -6.196 6.023
6 H LYS 2 H LYS 2 -11.059 -8.335 4.440
7 HA LYS 2 HA LYS 2 -9.234 -10.467 3.903
8 HB2 LYS 2 2HB LYS 2 -11.048 -8.831 2.122
9 HB3 LYS 2 1HB LYS 2 -10.026 -10.130 1.525
10 HG2 LYS 2 2HG LYS 2 -12.126 -10.491 3.647
11 HG3 LYS 2 1HG LYS 2 -12.403 -10.771 1.926
12 HD2 LYS 2 2HD LYS 2 -10.654 -12.462 1.901
13 HD3 LYS 2 1HD LYS 2 -10.302 -12.152 3.598
14 HE2 LYS 2 2HE LYS 2 -12.474 -12.952 4.241
15 HE3 LYS 2 1HE LYS 2 -12.946 -13.141 2.550
16 HZ1 LYS 2 1HZ LYS 2 -10.702 -14.595 3.833
17 HZ2 LYS 2 2HZ LYS 2 -11.324 -14.859 2.283
18 HZ3 LYS 2 3HZ LYS 2 -12.240 -15.232 3.635
19 H HIS 3 H HIS 3 -7.198 -9.895 4.107
20 HA HIS 3 HA HIS 3 -6.188 -7.376 3.224
21 HB2 HIS 3 2HB HIS 3 -4.750 -9.878 4.142
22 HB3 HIS 3 1HB HIS 3 -3.940 -8.385 3.684
23 HD1 HIS 3 1HD HIS 3 -6.683 -9.346 6.224
24 HD2 HIS 3 2HD HIS 3 -3.352 -6.887 5.808
25 HE1 HIS 3 1HE HIS 3 -6.395 -8.181 8.433
26 H CYS 4 H CYS 4 -6.964 -7.470 1.101
27 HA CYS 4 HA CYS 4 -5.644 -9.283 -0.741
28 HB2 CYS 4 2HB CYS 4 -8.028 -8.754 -1.026
29 HB3 CYS 4 1HB CYS 4 -7.620 -7.051 -1.160
30 H GLY 5 H GLY 5 -3.623 -8.668 -0.624
31 HA2 GLY 5 2HA GLY 5 -2.987 -5.826 -0.859
32 HA3 GLY 5 1HA GLY 5 -1.914 -7.064 -0.232
33 H LYS 6 H LYS 6 -2.162 -5.007 -2.537
34 HA LYS 6 HA LYS 6 -1.309 -6.704 -4.697
35 HB2 LYS 6 2HB LYS 6 -1.449 -3.717 -4.376
36 HB3 LYS 6 1HB LYS 6 -0.727 -4.471 -5.784
37 HG2 LYS 6 2HG LYS 6 -2.951 -5.605 -6.136
38 HG3 LYS 6 1HG LYS 6 -3.588 -4.523 -4.893
39 HD2 LYS 6 2HD LYS 6 -2.856 -2.583 -6.167
40 HD3 LYS 6 1HD LYS 6 -2.145 -3.637 -7.384
41 HE2 LYS 6 2HE LYS 6 -4.403 -4.549 -7.834
42 HE3 LYS 6 1HE LYS 6 -5.063 -3.372 -6.699
43 HZ1 LYS 6 1HZ LYS 6 -5.231 -2.564 -8.943
44 HZ2 LYS 6 2HZ LYS 6 -3.600 -2.772 -9.201
45 HZ3 LYS 6 3HZ LYS 6 -4.135 -1.592 -8.101
46 H HIS 7 H HIS 7 0.711 -7.107 -5.193
47 HA HIS 7 HA HIS 7 2.739 -6.677 -3.245
48 HB2 HIS 7 2HB HIS 7 2.495 -8.704 -4.773
49 HB3 HIS 7 1HB HIS 7 3.030 -7.686 -6.098
50 HD1 HIS 7 1HD HIS 7 5.622 -6.995 -6.073
51 HD2 HIS 7 2HD HIS 7 4.395 -9.605 -3.084
52 HE1 HIS 7 1HE HIS 7 7.722 -7.876 -5.012
53 H SER 8 H SER 8 4.706 -5.441 -3.669
54 HA SER 8 HA SER 8 4.241 -2.894 -4.684
55 HB2 SER 8 2HB SER 8 6.745 -2.669 -4.387
56 HB3 SER 8 1HB SER 8 5.870 -3.233 -2.960
57 HG SER 8 HG SER 8 7.336 -4.730 -4.825
58 H LYS 9 H LYS 9 3.635 -2.812 -6.782
59 HA LYS 9 HA LYS 9 5.004 -4.229 -8.876
60 HB2 LYS 9 2HB LYS 9 2.555 -3.608 -8.947
61 HB3 LYS 9 1HB LYS 9 3.041 -1.926 -9.084
62 HG2 LYS 9 2HG LYS 9 4.230 -2.482 -11.173
63 HG3 LYS 9 1HG LYS 9 3.616 -4.129 -11.040
64 HD2 LYS 9 2HD LYS 9 1.316 -3.252 -11.112
65 HD3 LYS 9 1HD LYS 9 1.962 -1.622 -11.314
66 HE2 LYS 9 2HE LYS 9 2.332 -3.953 -13.189
67 HE3 LYS 9 1HE LYS 9 1.336 -2.526 -13.470
68 HZ1 LYS 9 1HZ LYS 9 4.297 -2.520 -13.163
69 HZ2 LYS 9 2HZ LYS 9 3.364 -1.166 -13.480
70 HZ3 LYS 9 3HZ LYS 9 3.477 -2.396 -14.611
71 H SER 10 H SER 10 4.770 -1.026 -7.552
72 HA SER 10 HA SER 10 6.902 -0.033 -9.175
73 HB2 SER 10 2HB SER 10 6.412 2.009 -7.679
74 HB3 SER 10 1HB SER 10 5.149 1.521 -8.812
75 HG SER 10 HG SER 10 4.817 1.898 -6.310
76 H TRP 11 H TRP 11 8.918 -0.358 -8.536
77 HA TRP 11 HA TRP 11 9.433 -1.443 -5.920
78 HB2 TRP 11 2HB TRP 11 11.307 -0.853 -8.207
79 HB3 TRP 11 1HB TRP 11 11.767 -1.669 -6.714
80 HD1 TRP 11 HD TRP 11 10.454 -2.359 -10.104
81 HE1 TRP 11 1HE TRP 11 9.746 -4.828 -10.300
82 HE3 TRP 11 3HE TRP 11 10.508 -3.613 -5.155
83 HZ2 TRP 11 2HZ TRP 11 9.243 -6.996 -8.574
84 HZ3 TRP 11 3HZ TRP 11 9.897 -5.904 -4.517
85 HH2 TRP 11 HH TRP 11 9.282 -7.559 -6.203
86 H ASN 12 H ASN 12 9.219 1.587 -7.172
87 HA ASN 12 HA ASN 12 10.972 2.630 -5.097
88 HB2 ASN 12 2HB ASN 12 9.668 4.109 -7.409
89 HB3 ASN 12 1HB ASN 12 10.680 4.855 -6.184
90 HD21 ASN 12 1HD2 ASN 12 12.549 2.528 -6.149
91 HD22 ASN 12 2HD2 ASN 12 13.477 2.676 -7.585
92 H GLY 13 H GLY 13 9.589 1.913 -3.543
93 HA2 GLY 13 2HA GLY 13 7.510 3.845 -2.901
94 HA3 GLY 13 1HA GLY 13 7.044 2.141 -2.953
95 H LYS 14 H LYS 14 8.963 4.513 -1.400
96 HA LYS 14 HA LYS 14 10.577 3.016 0.248
97 HB2 LYS 14 2HB LYS 14 10.615 5.521 -0.191
98 HB3 LYS 14 1HB LYS 14 9.352 5.650 1.019
99 HG2 LYS 14 2HG LYS 14 11.433 6.178 2.065
100 HG3 LYS 14 1HG LYS 14 10.903 4.601 2.651
101 HD2 LYS 14 2HD LYS 14 12.407 3.504 1.034
102 HD3 LYS 14 1HD LYS 14 12.919 5.083 0.467
103 HE2 LYS 14 2HE LYS 14 13.272 4.078 3.285
104 HE3 LYS 14 1HE LYS 14 14.511 4.054 2.039
105 HZ1 LYS 14 1HZ LYS 14 13.224 6.502 3.143
106 HZ2 LYS 14 2HZ LYS 14 14.377 6.459 1.911
107 HZ3 LYS 14 3HZ LYS 14 14.788 5.961 3.456
108 H CYS 15 H CYS 15 10.456 2.306 2.333
109 HA CYS 15 HA CYS 15 7.958 1.219 3.073
110 HB2 CYS 15 2HB CYS 15 9.910 -0.061 3.306
111 HB3 CYS 15 1HB CYS 15 10.679 1.078 4.385
112 H PHE 16 H PHE 16 6.532 2.638 3.712
113 HA PHE 16 HA PHE 16 6.958 3.984 6.272
114 HB2 PHE 16 2HB PHE 16 5.509 4.989 3.810
115 HB3 PHE 16 1HB PHE 16 5.186 5.622 5.411
116 HD1 PHE 16 1HD PHE 16 6.758 7.059 6.503
117 HD2 PHE 16 2HD PHE 16 7.582 5.496 2.646
118 HE1 PHE 16 1HE PHE 16 8.512 8.732 6.211
119 HE2 PHE 16 2HE PHE 16 9.362 7.181 2.356
120 HZ PHE 16 HZ PHE 16 9.824 8.798 4.137
121 H HIS 17 H HIS 17 4.740 4.264 7.326
122 HA HIS 17 HA HIS 17 3.010 2.068 6.434
123 HB2 HIS 17 2HB HIS 17 3.900 1.819 8.769
124 HB3 HIS 17 1HB HIS 17 3.051 3.295 9.213
125 HD1 HIS 17 1HD HIS 17 2.502 -0.346 8.561
126 HD2 HIS 17 2HD HIS 17 0.245 3.043 9.415
127 HE1 HIS 17 1HE HIS 17 0.189 -1.172 9.103
128 H LYS 18 H LYS 18 2.680 5.175 8.146
129 HA LYS 18 HA LYS 18 -0.003 5.514 7.353
130 HB2 LYS 18 2HB LYS 18 0.882 6.568 9.362
131 HB3 LYS 18 1HB LYS 18 1.991 7.527 8.398
132 HG2 LYS 18 2HG LYS 18 0.185 8.772 7.448
133 HG3 LYS 18 1HG LYS 18 -1.008 7.726 8.227
134 HD2 LYS 18 2HD LYS 18 -0.160 8.434 10.416
135 HD3 LYS 18 1HD LYS 18 0.986 9.511 9.618
136 HE2 LYS 18 2HE LYS 18 -0.802 10.823 8.705
137 HE3 LYS 18 1HE LYS 18 -2.004 9.675 9.286
138 HZ1 LYS 18 1HZ LYS 18 -1.373 10.202 11.536
139 HZ2 LYS 18 2HZ LYS 18 -1.854 11.612 10.732
140 HZ3 LYS 18 3HZ LYS 18 -0.220 11.310 11.010
141 H LYS 19 H LYS 19 3.026 6.864 6.104
142 HA LYS 19 HA LYS 19 1.771 8.416 4.098
143 HB2 LYS 19 2HB LYS 19 4.100 8.840 4.786
144 HB3 LYS 19 1HB LYS 19 4.586 7.288 4.127
145 HG2 LYS 19 2HG LYS 19 3.987 8.049 1.880
146 HG3 LYS 19 1HG LYS 19 3.491 9.606 2.542
147 HD2 LYS 19 2HD LYS 19 5.760 10.031 3.300
148 HD3 LYS 19 1HD LYS 19 6.272 8.446 2.721
149 HE2 LYS 19 2HE LYS 19 6.912 10.174 1.128
150 HE3 LYS 19 1HE LYS 19 5.695 9.108 0.430
151 HZ1 LYS 19 1HZ LYS 19 5.249 11.417 -0.060
152 HZ2 LYS 19 2HZ LYS 19 5.179 11.802 1.566
153 HZ3 LYS 19 3HZ LYS 19 4.014 10.783 0.887
154 H CYS 20 H CYS 20 2.824 5.098 4.221
155 HA CYS 20 HA CYS 20 2.457 4.487 1.461
156 HB2 CYS 20 2HB CYS 20 3.795 3.041 2.935
157 HB3 CYS 20 1HB CYS 20 2.376 2.692 3.905
158 H ASN 21 H ASN 21 0.444 4.275 4.333
159 HA ASN 21 HA ASN 21 -1.844 3.149 3.250
160 HB2 ASN 21 2HB ASN 21 -1.516 3.411 5.653
161 HB3 ASN 21 1HB ASN 21 -1.571 5.161 5.493
162 HD21 ASN 21 1HD2 ASN 21 -3.558 6.180 5.294
163 HD22 ASN 21 2HD2 ASN 21 -5.036 5.343 5.533
164 H HIS 22 H HIS 22 -1.007 6.575 3.623
165 HA HIS 22 HA HIS 22 -3.348 7.416 2.260
166 HB2 HIS 22 2HB HIS 22 -0.862 8.927 3.017
167 HB3 HIS 22 1HB HIS 22 -2.209 9.674 2.166
168 HD1 HIS 22 1HD HIS 22 -4.544 9.722 3.539
169 HD2 HIS 22 2HD HIS 22 -1.132 8.725 5.687
170 HE1 HIS 22 1HE HIS 22 -5.139 10.038 5.948
171 H TRP 23 H TRP 23 -0.150 6.593 1.201
172 HA TRP 23 HA TRP 23 -0.184 7.733 -1.364
173 HB2 TRP 23 2HB TRP 23 1.777 6.562 -0.225
174 HB3 TRP 23 1HB TRP 23 1.000 5.040 -0.618
175 HD1 TRP 23 HD TRP 23 0.429 5.027 -3.572
176 HE1 TRP 23 1HE TRP 23 2.213 5.454 -5.383
177 HE3 TRP 23 3HE TRP 23 3.900 7.471 -0.726
178 HZ2 TRP 23 2HZ TRP 23 4.769 6.633 -5.561
179 HZ3 TRP 23 3HZ TRP 23 5.993 8.196 -1.793
180 HH2 TRP 23 HH TRP 23 6.410 7.783 -4.159
181 H CYS 24 H CYS 24 -1.027 4.471 -0.289
182 HA CYS 24 HA CYS 24 -2.137 3.601 -2.711
183 HB2 CYS 24 2HB CYS 24 -2.597 2.630 0.106
184 HB3 CYS 24 1HB CYS 24 -3.031 1.739 -1.347
185 H MET 25 H MET 25 -3.557 5.128 0.131
186 HA MET 25 HA MET 25 -6.284 4.880 -0.435
187 HB2 MET 25 2HB MET 25 -5.239 5.740 1.696
188 HB3 MET 25 1HB MET 25 -4.888 7.230 0.847
189 HG2 MET 25 2HG MET 25 -6.840 7.552 2.185
190 HG3 MET 25 1HG MET 25 -7.303 7.566 0.485
191 HE1 MET 25 1HE MET 25 -6.467 4.409 2.771
192 HE2 MET 25 2HE MET 25 -8.076 4.051 3.394
193 HE3 MET 25 3HE MET 25 -7.274 5.556 3.837
194 H GLU 26 H GLU 26 -3.901 7.252 -1.452
195 HA GLU 26 HA GLU 26 -5.763 8.900 -2.864
196 HB2 GLU 26 2HB GLU 26 -3.708 9.735 -1.767
197 HB3 GLU 26 1HB GLU 26 -2.750 8.816 -2.908
198 HG2 GLU 26 2HG GLU 26 -3.723 10.169 -4.734
199 HG3 GLU 26 1HG GLU 26 -4.551 11.139 -3.515
200 H LYS 27 H LYS 27 -3.272 6.550 -3.698
201 HA LYS 27 HA LYS 27 -3.277 6.859 -6.459
202 HB2 LYS 27 2HB LYS 27 -1.500 5.724 -5.239
203 HB3 LYS 27 1HB LYS 27 -2.597 4.421 -4.821
204 HG2 LYS 27 2HG LYS 27 -1.164 3.698 -6.614
205 HG3 LYS 27 1HG LYS 27 -2.810 3.880 -7.216
206 HD2 LYS 27 2HD LYS 27 -2.238 6.050 -8.165
207 HD3 LYS 27 1HD LYS 27 -0.589 5.886 -7.566
208 HE2 LYS 27 2HE LYS 27 -1.971 4.137 -9.605
209 HE3 LYS 27 1HE LYS 27 -0.672 5.290 -9.904
210 HZ1 LYS 27 1HZ LYS 27 0.767 3.887 -8.458
211 HZ2 LYS 27 2HZ LYS 27 0.225 3.127 -9.846
212 HZ3 LYS 27 3HZ LYS 27 -0.476 2.738 -8.385
213 H GLU 28 H GLU 28 -4.896 4.224 -4.617
214 HA GLU 28 HA GLU 28 -6.677 3.969 -6.952
215 HB2 GLU 28 2HB GLU 28 -5.310 1.799 -5.454
216 HB3 GLU 28 1HB GLU 28 -6.708 1.471 -6.440
217 HG2 GLU 28 2HG GLU 28 -5.332 2.527 -8.348
218 HG3 GLU 28 1HG GLU 28 -3.973 2.386 -7.230
219 H ASP 29 H ASP 29 -6.736 4.833 -3.900
220 HA ASP 29 HA ASP 29 -8.222 4.825 -2.189
221 HB2 ASP 29 2HB ASP 29 -9.926 5.382 -3.944
222 HB3 ASP 29 1HB ASP 29 -10.193 3.669 -4.212
223 H ALA 30 H ALA 30 -6.826 3.316 -1.345
224 HA ALA 30 HA ALA 30 -7.684 0.534 -1.416
225 HB1 ALA 30 1HB ALA 30 -5.501 0.066 -0.369
226 HB2 ALA 30 2HB ALA 30 -5.155 1.800 -0.340
227 HB3 ALA 30 3HB ALA 30 -5.343 0.959 -1.880
228 H LYS 31 H LYS 31 -7.419 -0.567 0.785
229 HA LYS 31 HA LYS 31 -9.026 0.928 2.643
230 HB2 LYS 31 2HB LYS 31 -7.990 -1.904 2.606
231 HB3 LYS 31 1HB LYS 31 -8.798 -1.235 4.014
232 HG2 LYS 31 2HG LYS 31 -10.021 -1.387 1.267
233 HG3 LYS 31 1HG LYS 31 -10.279 -2.571 2.557
234 HD2 LYS 31 2HD LYS 31 -11.218 -0.875 3.987
235 HD3 LYS 31 1HD LYS 31 -10.878 0.374 2.798
236 HE2 LYS 31 2HE LYS 31 -12.440 -0.690 1.251
237 HE3 LYS 31 1HE LYS 31 -12.769 -1.943 2.445
238 HZ1 LYS 31 1HZ LYS 31 -14.472 -0.217 2.483
239 HZ2 LYS 31 2HZ LYS 31 -13.330 0.963 2.809
240 HZ3 LYS 31 3HZ LYS 31 -13.630 -0.250 3.940
241 H TYR 32 H TYR 32 -5.814 -0.472 2.499
242 HA TYR 32 HA TYR 32 -4.784 1.585 4.098
243 HB2 TYR 32 2HB TYR 32 -3.840 -0.046 5.864
244 HB3 TYR 32 1HB TYR 32 -5.502 0.492 6.051
245 HD1 TYR 32 1HD TYR 32 -7.325 -1.058 5.757
246 HD2 TYR 32 2HD TYR 32 -3.305 -2.360 5.315
247 HE1 TYR 32 1HE TYR 32 -8.087 -3.361 5.870
248 HE2 TYR 32 2HE TYR 32 -4.025 -4.672 5.426
249 HH TYR 32 HH TYR 32 -5.971 -5.994 6.256
250 H GLY 33 H GLY 33 -2.610 1.630 4.150
251 HA2 GLY 33 2HA GLY 33 -1.305 -0.192 2.259
252 HA3 GLY 33 1HA GLY 33 -0.772 1.462 2.583
253 H SER 34 H SER 34 0.653 -1.101 2.899
254 HA SER 34 HA SER 34 1.604 -0.580 5.569
255 HB2 SER 34 2HB SER 34 0.573 -3.329 4.749
256 HB3 SER 34 1HB SER 34 1.423 -2.958 6.253
257 HG SER 34 HG SER 34 -0.567 -1.263 5.954
258 H CYS 35 H CYS 35 3.750 -1.387 5.852
259 HA CYS 35 HA CYS 35 5.130 -1.652 3.341
260 HB2 CYS 35 2HB CYS 35 6.084 -0.153 5.005
261 HB3 CYS 35 1HB CYS 35 6.138 -1.471 6.178
262 H SER 36 H SER 36 6.062 -3.470 2.609
263 HA SER 36 HA SER 36 6.455 -5.646 4.457
264 HB2 SER 36 2HB SER 36 4.221 -5.984 3.307
265 HB3 SER 36 1HB SER 36 5.082 -6.005 1.770
266 HG SER 36 HG SER 36 4.857 -8.087 2.387
267 H HIS 37 H HIS 37 8.435 -6.411 4.145
268 HA HIS 37 HA HIS 37 10.489 -6.804 3.336
269 HB2 HIS 37 2HB HIS 37 9.192 -6.533 0.603
270 HB3 HIS 37 1HB HIS 37 10.808 -7.165 0.888
271 HD1 HIS 37 1HD HIS 37 10.970 -9.647 1.638
272 HD2 HIS 37 2HD HIS 37 7.083 -8.201 1.422
273 HE1 HIS 37 1HE HIS 37 9.473 -11.650 1.890
274 H GLY 38 H GLY 38 9.299 -3.917 3.491
275 HA2 GLY 38 2HA GLY 38 10.643 -1.995 3.698
276 HA3 GLY 38 1HA GLY 38 11.758 -2.671 2.518
277 H ASP 39 H ASP 39 8.577 -3.085 1.606
278 HA ASP 39 HA ASP 39 8.644 -0.679 -0.066
279 HB2 ASP 39 2HB ASP 39 8.027 -3.493 -0.894
280 HB3 ASP 39 1HB ASP 39 7.517 -2.113 -1.856
281 H CYS 40 H CYS 40 6.636 -0.015 -0.836
282 HA CYS 40 HA CYS 40 4.586 -0.187 1.195
283 HB2 CYS 40 2HB CYS 40 5.241 1.983 0.281
284 HB3 CYS 40 1HB CYS 40 4.782 1.463 -1.331
285 H TYR 41 H TYR 41 3.105 -1.777 1.135
286 HA TYR 41 HA TYR 41 2.146 -2.774 -1.450
287 HB2 TYR 41 2HB TYR 41 2.169 -3.983 1.323
288 HB3 TYR 41 1HB TYR 41 1.160 -4.624 0.043
289 HD1 TYR 41 1HD TYR 41 4.731 -3.458 -0.136
290 HD2 TYR 41 2HD TYR 41 2.031 -6.740 -0.346
291 HE1 TYR 41 1HE TYR 41 6.572 -4.938 -0.777
292 HE2 TYR 41 2HE TYR 41 3.866 -8.220 -0.992
293 HH TYR 41 HH TYR 41 6.125 -8.097 -1.976
294 H CYS 42 H CYS 42 0.038 -2.537 -1.948
295 HA CYS 42 HA CYS 42 -1.565 -0.886 -0.123
296 HB2 CYS 42 2HB CYS 42 -1.967 -1.399 -3.081
297 HB3 CYS 42 1HB CYS 42 -2.855 -0.265 -2.086
298 H TYR 43 H TYR 43 -3.195 -1.828 0.941
299 HA TYR 43 HA TYR 43 -4.108 -4.421 -0.022
300 HB2 TYR 43 2HB TYR 43 -4.206 -3.209 2.751
301 HB3 TYR 43 1HB TYR 43 -4.924 -4.757 2.316
302 HD1 TYR 43 1HD TYR 43 -3.646 -6.707 2.282
303 HD2 TYR 43 2HD TYR 43 -1.668 -2.955 2.505
304 HE1 TYR 43 1HE TYR 43 -1.524 -7.854 2.678
305 HE2 TYR 43 2HE TYR 43 0.466 -4.095 2.887
306 HH TYR 43 HH TYR 43 0.919 -7.342 2.317
307 H TYR 44 H TYR 44 -6.027 -4.703 -0.699
308 HA TYR 44 HA TYR 44 -8.036 -2.569 -0.422
309 HB2 TYR 44 2HB TYR 44 -7.644 -4.546 -2.702
310 HB3 TYR 44 1HB TYR 44 -8.851 -3.270 -2.633
311 HD1 TYR 44 1HD TYR 44 -8.247 -0.975 -3.083
312 HD2 TYR 44 2HD TYR 44 -5.282 -4.023 -3.115
313 HE1 TYR 44 1HE TYR 44 -6.666 0.571 -4.118
314 HE2 TYR 44 2HE TYR 44 -3.698 -2.487 -4.144
315 HH TYR 44 HH TYR 44 -3.893 -0.280 -5.633
316 H HIS 45 H HIS 45 -10.296 -3.633 -0.694
317 HA HIS 45 HA HIS 45 -10.182 -6.170 0.743
318 HB2 HIS 45 2HB HIS 45 -11.453 -4.181 1.755
319 HB3 HIS 45 1HB HIS 45 -12.622 -4.417 0.455
320 HD1 HIS 45 1HD HIS 45 -14.250 -6.445 0.685
321 HD2 HIS 45 2HD HIS 45 -11.352 -6.189 3.653
322 HE1 HIS 45 1HE HIS 45 -14.901 -8.123 2.445
323 H CYS 46 H CYS 46 -10.161 -7.729 -0.700
324 HA CYS 46 HA CYS 46 -11.910 -7.553 -3.032
325 HB2 CYS 46 2HB CYS 46 -9.594 -9.433 -2.484
326 HB3 CYS 46 1HB CYS 46 -10.538 -9.370 -3.963
Start of MODEL 15
1 H1 ALA 1 H ALA 1 -11.852 -11.425 7.141
2 HA ALA 1 HA ALA 1 -13.078 -8.991 6.205
3 HB1 ALA 1 1HB ALA 1 -11.287 -7.469 6.809
4 HB2 ALA 1 2HB ALA 1 -10.484 -8.751 7.713
5 HB3 ALA 1 3HB ALA 1 -12.045 -8.131 8.259
6 H LYS 2 H LYS 2 -12.463 -8.625 4.152
7 HA LYS 2 HA LYS 2 -10.515 -10.456 3.044
8 HB2 LYS 2 2HB LYS 2 -12.401 -8.529 1.709
9 HB3 LYS 2 1HB LYS 2 -11.320 -9.625 0.868
10 HG2 LYS 2 2HG LYS 2 -12.502 -11.541 1.825
11 HG3 LYS 2 1HG LYS 2 -13.589 -10.440 2.675
12 HD2 LYS 2 2HD LYS 2 -13.270 -10.591 -0.331
13 HD3 LYS 2 1HD LYS 2 -14.565 -11.349 0.586
14 HE2 LYS 2 2HE LYS 2 -15.362 -9.187 1.333
15 HE3 LYS 2 1HE LYS 2 -14.009 -8.376 0.548
16 HZ1 LYS 2 1HZ LYS 2 -14.830 -9.071 -1.569
17 HZ2 LYS 2 2HZ LYS 2 -16.052 -8.256 -0.742
18 HZ3 LYS 2 3HZ LYS 2 -16.103 -9.931 -0.855
19 H HIS 3 H HIS 3 -8.492 -9.814 3.022
20 HA HIS 3 HA HIS 3 -7.916 -7.034 2.328
21 HB2 HIS 3 2HB HIS 3 -6.379 -8.853 4.194
22 HB3 HIS 3 1HB HIS 3 -5.788 -7.303 3.614
23 HD1 HIS 3 1HD HIS 3 -7.307 -8.675 6.491
24 HD2 HIS 3 2HD HIS 3 -7.847 -5.204 4.287
25 HE1 HIS 3 1HE HIS 3 -8.432 -7.044 8.034
26 H CYS 4 H CYS 4 -7.315 -7.050 0.305
27 HA CYS 4 HA CYS 4 -5.604 -9.202 -0.599
28 HB2 CYS 4 2HB CYS 4 -7.404 -7.268 -1.996
29 HB3 CYS 4 1HB CYS 4 -6.105 -8.012 -2.900
30 H GLY 5 H GLY 5 -3.677 -8.671 0.212
31 HA2 GLY 5 2HA GLY 5 -2.544 -6.058 0.015
32 HA3 GLY 5 1HA GLY 5 -1.709 -7.538 0.472
33 H LYS 6 H LYS 6 -2.311 -5.307 -1.954
34 HA LYS 6 HA LYS 6 -1.541 -6.944 -4.170
35 HB2 LYS 6 2HB LYS 6 -3.034 -4.903 -4.166
36 HB3 LYS 6 1HB LYS 6 -1.568 -3.942 -4.018
37 HG2 LYS 6 2HG LYS 6 -0.787 -4.914 -6.152
38 HG3 LYS 6 1HG LYS 6 -2.324 -5.783 -6.268
39 HD2 LYS 6 2HD LYS 6 -3.464 -3.538 -6.061
40 HD3 LYS 6 1HD LYS 6 -1.873 -2.822 -6.275
41 HE2 LYS 6 2HE LYS 6 -3.063 -2.875 -8.389
42 HE3 LYS 6 1HE LYS 6 -1.659 -3.936 -8.448
43 HZ1 LYS 6 1HZ LYS 6 -4.445 -4.841 -7.950
44 HZ2 LYS 6 2HZ LYS 6 -3.117 -5.849 -8.148
45 HZ3 LYS 6 3HZ LYS 6 -3.682 -4.913 -9.430
46 H HIS 7 H HIS 7 0.405 -7.057 -5.070
47 HA HIS 7 HA HIS 7 2.672 -6.579 -3.422
48 HB2 HIS 7 2HB HIS 7 2.414 -8.494 -5.087
49 HB3 HIS 7 1HB HIS 7 2.703 -7.320 -6.362
50 HD1 HIS 7 1HD HIS 7 4.476 -9.727 -4.342
51 HD2 HIS 7 2HD HIS 7 5.376 -5.996 -5.945
52 HE1 HIS 7 1HE HIS 7 6.964 -9.545 -4.315
53 H SER 8 H SER 8 4.247 -5.075 -3.600
54 HA SER 8 HA SER 8 3.686 -2.516 -4.452
55 HB2 SER 8 2HB SER 8 6.412 -3.710 -4.043
56 HB3 SER 8 1HB SER 8 5.881 -2.057 -3.722
57 HG SER 8 HG SER 8 4.440 -2.957 -2.160
58 H LYS 9 H LYS 9 3.243 -2.307 -6.626
59 HA LYS 9 HA LYS 9 5.017 -3.379 -8.626
60 HB2 LYS 9 2HB LYS 9 2.715 -1.428 -8.858
61 HB3 LYS 9 1HB LYS 9 3.616 -2.058 -10.232
62 HG2 LYS 9 2HG LYS 9 2.926 -4.332 -9.632
63 HG3 LYS 9 1HG LYS 9 2.009 -3.685 -8.275
64 HD2 LYS 9 2HD LYS 9 0.572 -2.459 -9.780
65 HD3 LYS 9 1HD LYS 9 1.538 -2.969 -11.164
66 HE2 LYS 9 2HE LYS 9 0.019 -4.813 -9.325
67 HE3 LYS 9 1HE LYS 9 -0.537 -4.287 -10.914
68 HZ1 LYS 9 1HZ LYS 9 1.889 -5.922 -10.344
69 HZ2 LYS 9 2HZ LYS 9 1.456 -5.362 -11.855
70 HZ3 LYS 9 3HZ LYS 9 0.464 -6.464 -11.057
71 H SER 10 H SER 10 4.430 -0.394 -6.997
72 HA SER 10 HA SER 10 6.707 0.780 -8.288
73 HB2 SER 10 2HB SER 10 5.944 2.765 -6.789
74 HB3 SER 10 1HB SER 10 4.925 2.328 -8.163
75 HG SER 10 HG SER 10 4.137 2.554 -5.744
76 H TRP 11 H TRP 11 8.293 -0.570 -7.407
77 HA TRP 11 HA TRP 11 8.487 -0.696 -4.495
78 HB2 TRP 11 2HB TRP 11 10.139 -2.432 -4.767
79 HB3 TRP 11 1HB TRP 11 8.830 -2.789 -5.882
80 HD1 TRP 11 HD TRP 11 12.499 -1.730 -5.791
81 HE1 TRP 11 1HE TRP 11 13.526 -2.028 -8.122
82 HE3 TRP 11 3HE TRP 11 8.265 -2.864 -8.432
83 HZ2 TRP 11 2HZ TRP 11 12.685 -2.655 -10.712
84 HZ3 TRP 11 3HZ TRP 11 8.493 -3.308 -10.848
85 HH2 TRP 11 HH TRP 11 10.654 -3.202 -11.948
86 H ASN 12 H ASN 12 9.826 0.895 -7.205
87 HA ASN 12 HA ASN 12 12.255 1.651 -5.894
88 HB2 ASN 12 2HB ASN 12 12.125 1.410 -8.376
89 HB3 ASN 12 1HB ASN 12 11.028 2.779 -8.432
90 HD21 ASN 12 1HD2 ASN 12 13.696 2.337 -9.629
91 HD22 ASN 12 2HD2 ASN 12 14.657 3.672 -9.109
92 H GLY 13 H GLY 13 12.030 2.767 -4.180
93 HA2 GLY 13 2HA GLY 13 11.702 5.419 -3.982
94 HA3 GLY 13 1HA GLY 13 10.065 4.781 -3.753
95 H LYS 14 H LYS 14 10.866 5.884 -1.510
96 HA LYS 14 HA LYS 14 12.102 3.703 -0.024
97 HB2 LYS 14 2HB LYS 14 13.041 6.039 0.163
98 HB3 LYS 14 1HB LYS 14 11.532 6.474 0.967
99 HG2 LYS 14 2HG LYS 14 13.221 6.081 2.620
100 HG3 LYS 14 1HG LYS 14 11.998 4.821 2.715
101 HD2 LYS 14 2HD LYS 14 14.183 3.816 2.943
102 HD3 LYS 14 1HD LYS 14 13.492 3.318 1.407
103 HE2 LYS 14 2HE LYS 14 15.824 3.852 1.112
104 HE3 LYS 14 1HE LYS 14 14.865 5.066 0.274
105 HZ1 LYS 14 1HZ LYS 14 16.179 5.364 2.923
106 HZ2 LYS 14 2HZ LYS 14 15.226 6.546 2.207
107 HZ3 LYS 14 3HZ LYS 14 16.669 6.073 1.484
108 H CYS 15 H CYS 15 10.957 2.537 1.251
109 HA CYS 15 HA CYS 15 8.106 2.816 1.235
110 HB2 CYS 15 2HB CYS 15 9.181 0.643 0.934
111 HB3 CYS 15 1HB CYS 15 9.866 0.759 2.549
112 H PHE 16 H PHE 16 6.889 3.703 2.719
113 HA PHE 16 HA PHE 16 7.666 3.628 5.506
114 HB2 PHE 16 2HB PHE 16 6.736 6.135 4.062
115 HB3 PHE 16 1HB PHE 16 6.737 5.949 5.809
116 HD1 PHE 16 1HD PHE 16 8.676 6.723 2.874
117 HD2 PHE 16 2HD PHE 16 8.912 5.739 7.006
118 HE1 PHE 16 1HE PHE 16 10.968 7.595 2.951
119 HE2 PHE 16 2HE PHE 16 11.202 6.607 7.087
120 HZ PHE 16 HZ PHE 16 12.238 7.541 5.061
121 H HIS 17 H HIS 17 5.908 3.445 6.848
122 HA HIS 17 HA HIS 17 3.792 1.944 5.802
123 HB2 HIS 17 2HB HIS 17 4.778 1.853 8.123
124 HB3 HIS 17 1HB HIS 17 3.833 3.283 8.511
125 HD1 HIS 17 1HD HIS 17 3.716 -0.285 8.814
126 HD2 HIS 17 2HD HIS 17 0.907 2.689 8.050
127 HE1 HIS 17 1HE HIS 17 1.478 -1.290 9.347
128 H LYS 18 H LYS 18 3.513 5.112 7.465
129 HA LYS 18 HA LYS 18 0.815 5.520 6.794
130 HB2 LYS 18 2HB LYS 18 2.929 7.553 7.426
131 HB3 LYS 18 1HB LYS 18 1.220 7.920 7.309
132 HG2 LYS 18 2HG LYS 18 0.795 6.368 9.198
133 HG3 LYS 18 1HG LYS 18 2.537 6.118 9.335
134 HD2 LYS 18 2HD LYS 18 1.152 8.797 9.576
135 HD3 LYS 18 1HD LYS 18 1.676 7.811 10.939
136 HE2 LYS 18 2HE LYS 18 3.971 8.035 10.307
137 HE3 LYS 18 1HE LYS 18 3.548 8.806 8.784
138 HZ1 LYS 18 1HZ LYS 18 3.049 9.971 11.473
139 HZ2 LYS 18 2HZ LYS 18 2.740 10.693 9.992
140 HZ3 LYS 18 3HZ LYS 18 4.323 10.364 10.436
141 H LYS 19 H LYS 19 3.761 6.496 5.198
142 HA LYS 19 HA LYS 19 2.899 8.235 3.249
143 HB2 LYS 19 2HB LYS 19 5.252 7.703 3.557
144 HB3 LYS 19 1HB LYS 19 4.951 6.046 3.051
145 HG2 LYS 19 2HG LYS 19 4.294 6.904 0.818
146 HG3 LYS 19 1HG LYS 19 4.792 8.511 1.341
147 HD2 LYS 19 2HD LYS 19 7.046 7.762 1.667
148 HD3 LYS 19 1HD LYS 19 6.582 6.090 1.332
149 HE2 LYS 19 2HE LYS 19 5.928 6.741 -0.933
150 HE3 LYS 19 1HE LYS 19 6.414 8.398 -0.585
151 HZ1 LYS 19 1HZ LYS 19 8.196 6.031 -0.542
152 HZ2 LYS 19 2HZ LYS 19 8.675 7.629 -0.270
153 HZ3 LYS 19 3HZ LYS 19 8.126 7.161 -1.789
154 H CYS 20 H CYS 20 3.363 4.740 2.771
155 HA CYS 20 HA CYS 20 2.007 4.885 0.307
156 HB2 CYS 20 2HB CYS 20 3.040 2.493 1.833
157 HB3 CYS 20 1HB CYS 20 2.441 2.471 0.169
158 H ASN 21 H ASN 21 1.003 4.287 3.563
159 HA ASN 21 HA ASN 21 -1.384 2.902 3.037
160 HB2 ASN 21 2HB ASN 21 -0.490 3.169 5.319
161 HB3 ASN 21 1HB ASN 21 -0.792 4.904 5.231
162 HD21 ASN 21 1HD2 ASN 21 -2.234 4.917 6.913
163 HD22 ASN 21 2HD2 ASN 21 -3.806 4.201 6.800
164 H HIS 22 H HIS 22 -0.861 6.358 3.633
165 HA HIS 22 HA HIS 22 -3.513 7.029 2.914
166 HB2 HIS 22 2HB HIS 22 -1.077 8.765 3.304
167 HB3 HIS 22 1HB HIS 22 -2.675 9.415 2.954
168 HD1 HIS 22 1HD HIS 22 -4.324 9.560 4.927
169 HD2 HIS 22 2HD HIS 22 -0.813 7.538 5.823
170 HE1 HIS 22 1HE HIS 22 -4.370 9.181 7.421
171 H TRP 23 H TRP 23 -0.504 6.913 1.143
172 HA TRP 23 HA TRP 23 -1.342 8.154 -1.209
173 HB2 TRP 23 2HB TRP 23 0.990 7.562 -0.952
174 HB3 TRP 23 1HB TRP 23 0.578 5.861 -0.780
175 HD1 TRP 23 HD TRP 23 0.665 4.433 -2.915
176 HE1 TRP 23 1HE TRP 23 0.909 4.901 -5.428
177 HE3 TRP 23 3HE TRP 23 0.298 9.531 -2.829
178 HZ2 TRP 23 2HZ TRP 23 0.947 7.141 -7.153
179 HZ3 TRP 23 3HZ TRP 23 0.447 10.756 -4.964
180 HH2 TRP 23 HH TRP 23 0.762 9.579 -7.072
181 H CYS 24 H CYS 24 -1.290 4.646 -0.566
182 HA CYS 24 HA CYS 24 -2.677 3.965 -2.879
183 HB2 CYS 24 2HB CYS 24 -2.262 2.522 -0.288
184 HB3 CYS 24 1HB CYS 24 -3.062 1.751 -1.642
185 H MET 25 H MET 25 -3.843 4.758 0.313
186 HA MET 25 HA MET 25 -6.491 3.919 0.146
187 HB2 MET 25 2HB MET 25 -5.398 4.663 2.190
188 HB3 MET 25 1HB MET 25 -5.323 6.302 1.571
189 HG2 MET 25 2HG MET 25 -7.782 6.384 1.559
190 HG3 MET 25 1HG MET 25 -7.819 4.759 2.245
191 HE1 MET 25 1HE MET 25 -5.285 4.885 4.244
192 HE2 MET 25 2HE MET 25 -6.835 4.143 4.643
193 HE3 MET 25 3HE MET 25 -6.116 5.327 5.733
194 H GLU 26 H GLU 26 -4.972 6.896 -0.992
195 HA GLU 26 HA GLU 26 -7.567 7.899 -1.873
196 HB2 GLU 26 2HB GLU 26 -5.872 9.331 -0.659
197 HB3 GLU 26 1HB GLU 26 -4.863 9.224 -2.092
198 HG2 GLU 26 2HG GLU 26 -6.083 11.311 -2.041
199 HG3 GLU 26 1HG GLU 26 -6.608 10.317 -3.401
200 H LYS 27 H LYS 27 -4.442 6.932 -3.124
201 HA LYS 27 HA LYS 27 -4.603 7.559 -5.812
202 HB2 LYS 27 2HB LYS 27 -2.550 6.925 -4.777
203 HB3 LYS 27 1HB LYS 27 -3.189 5.369 -4.321
204 HG2 LYS 27 2HG LYS 27 -1.553 5.178 -6.089
205 HG3 LYS 27 1HG LYS 27 -3.132 4.655 -6.651
206 HD2 LYS 27 2HD LYS 27 -3.422 6.665 -7.900
207 HD3 LYS 27 1HD LYS 27 -2.000 7.401 -7.149
208 HE2 LYS 27 2HE LYS 27 -1.512 6.600 -9.419
209 HE3 LYS 27 1HE LYS 27 -0.554 5.760 -8.208
210 HZ1 LYS 27 1HZ LYS 27 -2.136 3.860 -8.397
211 HZ2 LYS 27 2HZ LYS 27 -1.379 4.239 -9.842
212 HZ3 LYS 27 3HZ LYS 27 -2.959 4.712 -9.602
213 H GLU 28 H GLU 28 -5.418 4.409 -4.331
214 HA GLU 28 HA GLU 28 -7.038 3.822 -6.722
215 HB2 GLU 28 2HB GLU 28 -4.856 2.252 -5.458
216 HB3 GLU 28 1HB GLU 28 -6.117 1.404 -6.324
217 HG2 GLU 28 2HG GLU 28 -5.533 2.428 -8.357
218 HG3 GLU 28 1HG GLU 28 -4.598 3.684 -7.562
219 H ASP 29 H ASP 29 -7.401 4.583 -3.820
220 HA ASP 29 HA ASP 29 -8.618 4.140 -2.031
221 HB2 ASP 29 2HB ASP 29 -10.405 3.030 -4.160
222 HB3 ASP 29 1HB ASP 29 -10.865 2.887 -2.470
223 H ALA 30 H ALA 30 -6.758 2.856 -1.545
224 HA ALA 30 HA ALA 30 -7.322 0.043 -1.209
225 HB1 ALA 30 1HB ALA 30 -5.056 0.753 -1.711
226 HB2 ALA 30 2HB ALA 30 -5.124 -0.042 -0.133
227 HB3 ALA 30 3HB ALA 30 -5.008 1.720 -0.236
228 H LYS 31 H LYS 31 -7.341 -0.881 0.819
229 HA LYS 31 HA LYS 31 -8.935 0.569 2.729
230 HB2 LYS 31 2HB LYS 31 -7.635 -2.153 2.934
231 HB3 LYS 31 1HB LYS 31 -8.685 -1.472 4.164
232 HG2 LYS 31 2HG LYS 31 -10.499 -1.365 2.479
233 HG3 LYS 31 1HG LYS 31 -9.418 -2.182 1.346
234 HD2 LYS 31 2HD LYS 31 -9.311 -4.118 2.726
235 HD3 LYS 31 1HD LYS 31 -10.167 -3.291 4.027
236 HE2 LYS 31 2HE LYS 31 -12.131 -3.084 2.563
237 HE3 LYS 31 1HE LYS 31 -11.268 -3.991 1.325
238 HZ1 LYS 31 1HZ LYS 31 -11.170 -5.884 2.856
239 HZ2 LYS 31 2HZ LYS 31 -12.765 -5.398 2.594
240 HZ3 LYS 31 3HZ LYS 31 -11.996 -4.988 4.017
241 H TYR 32 H TYR 32 -5.679 -0.798 2.718
242 HA TYR 32 HA TYR 32 -4.674 1.454 4.048
243 HB2 TYR 32 2HB TYR 32 -3.805 0.369 6.047
244 HB3 TYR 32 1HB TYR 32 -5.566 0.348 6.053
245 HD1 TYR 32 1HD TYR 32 -6.719 -1.859 5.747
246 HD2 TYR 32 2HD TYR 32 -2.490 -1.569 6.075
247 HE1 TYR 32 1HE TYR 32 -6.593 -4.251 6.277
248 HE2 TYR 32 2HE TYR 32 -2.352 -3.939 6.588
249 HH TYR 32 HH TYR 32 -3.692 -5.686 7.431
250 H GLY 33 H GLY 33 -2.561 1.610 3.885
251 HA2 GLY 33 2HA GLY 33 -1.168 -0.546 2.460
252 HA3 GLY 33 1HA GLY 33 -0.683 1.148 2.388
253 H SER 34 H SER 34 0.955 -1.074 3.129
254 HA SER 34 HA SER 34 1.813 -0.108 5.721
255 HB2 SER 34 2HB SER 34 1.222 -3.028 5.168
256 HB3 SER 34 1HB SER 34 1.955 -2.384 6.636
257 HG SER 34 HG SER 34 -0.242 -1.014 6.201
258 H CYS 35 H CYS 35 4.014 -1.054 6.222
259 HA CYS 35 HA CYS 35 5.462 -1.365 3.698
260 HB2 CYS 35 2HB CYS 35 5.978 0.631 5.218
261 HB3 CYS 35 1HB CYS 35 6.607 -0.538 6.372
262 H SER 36 H SER 36 5.915 -3.429 3.326
263 HA SER 36 HA SER 36 6.429 -5.146 5.639
264 HB2 SER 36 2HB SER 36 4.320 -5.675 4.391
265 HB3 SER 36 1HB SER 36 5.285 -5.934 2.943
266 HG SER 36 HG SER 36 5.346 -7.883 3.626
267 H HIS 37 H HIS 37 8.525 -5.295 5.784
268 HA HIS 37 HA HIS 37 10.673 -5.800 5.397
269 HB2 HIS 37 2HB HIS 37 9.589 -7.231 2.959
270 HB3 HIS 37 1HB HIS 37 11.219 -7.407 3.603
271 HD1 HIS 37 1HD HIS 37 7.990 -8.963 3.746
272 HD2 HIS 37 2HD HIS 37 11.108 -8.367 6.422
273 HE1 HIS 37 1HE HIS 37 7.652 -10.659 5.592
274 H GLY 38 H GLY 38 9.537 -3.353 4.266
275 HA2 GLY 38 2HA GLY 38 10.765 -1.568 3.337
276 HA3 GLY 38 1HA GLY 38 11.807 -2.738 2.541
277 H ASP 39 H ASP 39 8.621 -3.620 2.103
278 HA ASP 39 HA ASP 39 8.479 -2.136 -0.431
279 HB2 ASP 39 2HB ASP 39 7.558 -4.937 0.208
280 HB3 ASP 39 1HB ASP 39 7.124 -4.107 -1.280
281 H CYS 40 H CYS 40 6.606 -1.065 -0.844
282 HA CYS 40 HA CYS 40 4.714 -0.795 1.305
283 HB2 CYS 40 2HB CYS 40 4.889 0.537 -1.398
284 HB3 CYS 40 1HB CYS 40 3.621 0.866 -0.227
285 H TYR 41 H TYR 41 3.369 -2.458 1.509
286 HA TYR 41 HA TYR 41 2.018 -3.473 -0.871
287 HB2 TYR 41 2HB TYR 41 2.301 -4.565 1.918
288 HB3 TYR 41 1HB TYR 41 1.061 -5.164 0.827
289 HD1 TYR 41 1HD TYR 41 4.734 -4.825 1.267
290 HD2 TYR 41 2HD TYR 41 1.580 -6.711 -0.867
291 HE1 TYR 41 1HE TYR 41 6.330 -6.405 0.306
292 HE2 TYR 41 2HE TYR 41 3.171 -8.281 -1.849
293 HH TYR 41 HH TYR 41 6.424 -8.526 -0.710
294 H CYS 42 H CYS 42 -0.049 -3.130 -1.213
295 HA CYS 42 HA CYS 42 -1.437 -1.583 0.824
296 HB2 CYS 42 2HB CYS 42 -1.538 -1.165 -2.171
297 HB3 CYS 42 1HB CYS 42 -2.491 -0.271 -0.981
298 H TYR 43 H TYR 43 -3.254 -2.325 1.480
299 HA TYR 43 HA TYR 43 -4.189 -4.821 0.342
300 HB2 TYR 43 2HB TYR 43 -4.695 -3.452 2.996
301 HB3 TYR 43 1HB TYR 43 -5.370 -5.021 2.535
302 HD1 TYR 43 1HD TYR 43 -4.034 -7.003 2.682
303 HD2 TYR 43 2HD TYR 43 -2.215 -3.205 3.285
304 HE1 TYR 43 1HE TYR 43 -2.012 -8.101 3.478
305 HE2 TYR 43 2HE TYR 43 -0.181 -4.294 4.080
306 HH TYR 43 HH TYR 43 0.442 -6.544 5.124
307 H TYR 44 H TYR 44 -5.830 -4.811 -0.956
308 HA TYR 44 HA TYR 44 -7.766 -2.599 -0.856
309 HB2 TYR 44 2HB TYR 44 -7.086 -4.482 -3.114
310 HB3 TYR 44 1HB TYR 44 -8.318 -3.230 -3.178
311 HD1 TYR 44 1HD TYR 44 -4.751 -3.941 -3.219
312 HD2 TYR 44 2HD TYR 44 -7.692 -0.894 -3.287
313 HE1 TYR 44 1HE TYR 44 -3.061 -2.346 -3.959
314 HE2 TYR 44 2HE TYR 44 -6.050 0.711 -3.995
315 HH TYR 44 HH TYR 44 -2.966 -0.251 -5.164
316 H HIS 45 H HIS 45 -9.936 -3.161 -1.522
317 HA HIS 45 HA HIS 45 -11.026 -5.382 -0.166
318 HB2 HIS 45 2HB HIS 45 -13.208 -4.641 -1.149
319 HB3 HIS 45 1HB HIS 45 -12.359 -3.345 -0.337
320 HD1 HIS 45 1HD HIS 45 -11.662 -1.299 -1.816
321 HD2 HIS 45 2HD HIS 45 -13.484 -4.373 -3.919
322 HE1 HIS 45 1HE HIS 45 -12.188 -0.354 -4.082
323 H CYS 46 H CYS 46 -10.657 -7.359 -0.823
324 HA CYS 46 HA CYS 46 -10.295 -8.287 -3.404
325 HB2 CYS 46 2HB CYS 46 -11.559 -9.778 -1.115
326 HB3 CYS 46 1HB CYS 46 -10.687 -10.464 -2.482
Start of MODEL 16
1 H1 ALA 1 H ALA 1 -9.497 -9.073 9.385
2 HA ALA 1 HA ALA 1 -11.467 -8.598 7.701
3 HB1 ALA 1 1HB ALA 1 -9.615 -6.241 7.356
4 HB2 ALA 1 2HB ALA 1 -11.271 -6.174 7.964
5 HB3 ALA 1 3HB ALA 1 -10.959 -6.660 6.295
6 H LYS 2 H LYS 2 -10.927 -8.916 5.395
7 HA LYS 2 HA LYS 2 -8.709 -10.717 5.217
8 HB2 LYS 2 2HB LYS 2 -10.665 -9.812 3.095
9 HB3 LYS 2 1HB LYS 2 -9.467 -11.079 2.891
10 HG2 LYS 2 2HG LYS 2 -11.804 -11.127 4.799
11 HG3 LYS 2 1HG LYS 2 -11.676 -12.014 3.280
12 HD2 LYS 2 2HD LYS 2 -9.706 -13.214 4.204
13 HD3 LYS 2 1HD LYS 2 -9.950 -12.362 5.729
14 HE2 LYS 2 2HE LYS 2 -11.891 -14.256 4.411
15 HE3 LYS 2 1HE LYS 2 -10.904 -14.593 5.830
16 HZ1 LYS 2 1HZ LYS 2 -12.116 -12.818 7.006
17 HZ2 LYS 2 2HZ LYS 2 -13.155 -14.031 6.462
18 HZ3 LYS 2 3HZ LYS 2 -13.083 -12.580 5.648
19 H HIS 3 H HIS 3 -6.926 -10.539 3.962
20 HA HIS 3 HA HIS 3 -6.196 -7.805 3.255
21 HB2 HIS 3 2HB HIS 3 -4.506 -10.170 4.086
22 HB3 HIS 3 1HB HIS 3 -3.847 -8.710 3.359
23 HD1 HIS 3 1HD HIS 3 -2.678 -7.511 5.216
24 HD2 HIS 3 2HD HIS 3 -6.366 -9.027 6.386
25 HE1 HIS 3 1HE HIS 3 -3.044 -6.700 7.568
26 H CYS 4 H CYS 4 -6.561 -7.537 1.178
27 HA CYS 4 HA CYS 4 -5.531 -9.589 -0.641
28 HB2 CYS 4 2HB CYS 4 -7.979 -9.161 -0.788
29 HB3 CYS 4 1HB CYS 4 -7.611 -7.476 -1.151
30 H GLY 5 H GLY 5 -3.507 -8.869 -0.776
31 HA2 GLY 5 2HA GLY 5 -3.018 -5.998 -1.053
32 HA3 GLY 5 1HA GLY 5 -1.829 -7.197 -0.597
33 H LYS 6 H LYS 6 -2.241 -5.061 -2.687
34 HA LYS 6 HA LYS 6 -1.728 -6.539 -5.140
35 HB2 LYS 6 2HB LYS 6 -3.245 -4.603 -5.156
36 HB3 LYS 6 1HB LYS 6 -1.961 -3.599 -4.509
37 HG2 LYS 6 2HG LYS 6 -0.697 -3.852 -6.565
38 HG3 LYS 6 1HG LYS 6 -1.949 -4.919 -7.212
39 HD2 LYS 6 2HD LYS 6 -3.575 -3.130 -7.090
40 HD3 LYS 6 1HD LYS 6 -2.377 -2.062 -6.363
41 HE2 LYS 6 2HE LYS 6 -2.677 -1.595 -8.745
42 HE3 LYS 6 1HE LYS 6 -1.044 -2.148 -8.393
43 HZ1 LYS 6 1HZ LYS 6 -1.613 -4.324 -9.237
44 HZ2 LYS 6 2HZ LYS 6 -2.020 -3.159 -10.393
45 HZ3 LYS 6 3HZ LYS 6 -3.215 -3.865 -9.478
46 H HIS 7 H HIS 7 0.267 -6.343 -6.242
47 HA HIS 7 HA HIS 7 2.601 -6.305 -4.731
48 HB2 HIS 7 2HB HIS 7 2.294 -7.434 -6.960
49 HB3 HIS 7 1HB HIS 7 2.338 -5.851 -7.721
50 HD1 HIS 7 1HD HIS 7 4.630 -5.215 -8.597
51 HD2 HIS 7 2HD HIS 7 4.813 -7.927 -5.446
52 HE1 HIS 7 1HE HIS 7 7.049 -5.810 -8.338
53 H SER 8 H SER 8 4.337 -4.817 -4.764
54 HA SER 8 HA SER 8 3.418 -2.078 -4.565
55 HB2 SER 8 2HB SER 8 6.036 -3.316 -3.796
56 HB3 SER 8 1HB SER 8 5.364 -1.781 -3.239
57 HG SER 8 HG SER 8 3.743 -2.894 -2.221
58 H LYS 9 H LYS 9 4.710 -0.348 -5.400
59 HA LYS 9 HA LYS 9 6.522 -1.043 -7.602
60 HB2 LYS 9 2HB LYS 9 4.810 1.390 -7.123
61 HB3 LYS 9 1HB LYS 9 6.184 1.445 -8.208
62 HG2 LYS 9 2HG LYS 9 3.789 -0.365 -8.488
63 HG3 LYS 9 1HG LYS 9 4.085 1.112 -9.408
64 HD2 LYS 9 2HD LYS 9 6.212 0.074 -10.243
65 HD3 LYS 9 1HD LYS 9 5.729 -1.425 -9.453
66 HE2 LYS 9 2HE LYS 9 4.250 -0.006 -11.669
67 HE3 LYS 9 1HE LYS 9 5.174 -1.495 -11.811
68 HZ1 LYS 9 1HZ LYS 9 2.854 -2.011 -11.658
69 HZ2 LYS 9 2HZ LYS 9 2.686 -1.097 -10.262
70 HZ3 LYS 9 3HZ LYS 9 3.586 -2.501 -10.216
71 H SER 10 H SER 10 6.699 -0.543 -4.501
72 HA SER 10 HA SER 10 8.381 1.721 -4.260
73 HB2 SER 10 2HB SER 10 8.551 0.808 -1.865
74 HB3 SER 10 1HB SER 10 6.973 1.347 -2.445
75 HG SER 10 HG SER 10 7.938 -1.334 -2.324
76 H TRP 11 H TRP 11 9.249 -1.000 -5.741
77 HA TRP 11 HA TRP 11 11.642 -1.614 -4.349
78 HB2 TRP 11 2HB TRP 11 10.418 -3.071 -6.121
79 HB3 TRP 11 1HB TRP 11 11.237 -2.054 -7.306
80 HD1 TRP 11 HD TRP 11 13.793 -2.379 -7.602
81 HE1 TRP 11 1HE TRP 11 15.460 -4.223 -6.801
82 HE3 TRP 11 3HE TRP 11 10.845 -4.680 -4.161
83 HZ2 TRP 11 2HZ TRP 11 15.474 -6.341 -4.944
84 HZ3 TRP 11 3HZ TRP 11 11.740 -6.590 -2.907
85 HH2 TRP 11 HH TRP 11 14.007 -7.398 -3.296
86 H ASN 12 H ASN 12 10.687 0.586 -6.877
87 HA ASN 12 HA ASN 12 13.299 1.857 -6.615
88 HB2 ASN 12 2HB ASN 12 11.201 2.384 -8.761
89 HB3 ASN 12 1HB ASN 12 12.735 3.227 -8.621
90 HD21 ASN 12 1HD2 ASN 12 11.132 0.430 -9.718
91 HD22 ASN 12 2HD2 ASN 12 12.506 -0.333 -10.441
92 H GLY 13 H GLY 13 12.892 2.627 -4.684
93 HA2 GLY 13 2HA GLY 13 12.140 5.000 -4.006
94 HA3 GLY 13 1HA GLY 13 10.549 4.228 -4.150
95 H LYS 14 H LYS 14 10.420 4.519 -1.718
96 HA LYS 14 HA LYS 14 11.670 2.203 -0.535
97 HB2 LYS 14 2HB LYS 14 12.959 4.346 -0.124
98 HB3 LYS 14 1HB LYS 14 11.549 4.902 0.758
99 HG2 LYS 14 2HG LYS 14 13.305 4.078 2.157
100 HG3 LYS 14 1HG LYS 14 11.804 3.181 2.395
101 HD2 LYS 14 2HD LYS 14 13.751 1.655 2.350
102 HD3 LYS 14 1HD LYS 14 12.665 1.329 1.011
103 HE2 LYS 14 2HE LYS 14 14.174 2.718 -0.445
104 HE3 LYS 14 1HE LYS 14 15.289 2.845 0.913
105 HZ1 LYS 14 1HZ LYS 14 15.462 0.395 0.878
106 HZ2 LYS 14 2HZ LYS 14 15.988 1.090 -0.555
107 HZ3 LYS 14 3HZ LYS 14 14.475 0.351 -0.489
108 H CYS 15 H CYS 15 10.477 1.472 1.334
109 HA CYS 15 HA CYS 15 7.681 1.960 1.110
110 HB2 CYS 15 2HB CYS 15 8.540 -0.266 1.702
111 HB3 CYS 15 1HB CYS 15 9.214 0.396 3.188
112 H PHE 16 H PHE 16 6.643 3.513 2.038
113 HA PHE 16 HA PHE 16 7.514 4.494 4.644
114 HB2 PHE 16 2HB PHE 16 6.407 6.114 2.323
115 HB3 PHE 16 1HB PHE 16 6.597 6.745 3.954
116 HD1 PHE 16 1HD PHE 16 8.180 6.134 0.777
117 HD2 PHE 16 2HD PHE 16 8.939 6.945 4.888
118 HE1 PHE 16 1HE PHE 16 10.445 6.871 0.211
119 HE2 PHE 16 2HE PHE 16 11.209 7.676 4.321
120 HZ PHE 16 HZ PHE 16 11.967 7.639 1.976
121 H HIS 17 H HIS 17 6.048 3.603 5.911
122 HA HIS 17 HA HIS 17 3.764 2.327 5.028
123 HB2 HIS 17 2HB HIS 17 4.896 1.788 7.153
124 HB3 HIS 17 1HB HIS 17 4.276 3.283 7.846
125 HD1 HIS 17 1HD HIS 17 2.073 3.065 9.051
126 HD2 HIS 17 2HD HIS 17 2.766 0.003 6.359
127 HE1 HIS 17 1HE HIS 17 0.156 1.449 9.340
128 H LYS 18 H LYS 18 3.822 5.404 6.820
129 HA LYS 18 HA LYS 18 1.025 5.767 6.738
130 HB2 LYS 18 2HB LYS 18 2.472 6.966 8.315
131 HB3 LYS 18 1HB LYS 18 3.190 7.860 6.984
132 HG2 LYS 18 2HG LYS 18 0.930 8.778 6.474
133 HG3 LYS 18 1HG LYS 18 0.347 8.011 7.951
134 HD2 LYS 18 2HD LYS 18 1.993 9.289 9.243
135 HD3 LYS 18 1HD LYS 18 2.539 10.064 7.753
136 HE2 LYS 18 2HE LYS 18 0.260 10.951 7.422
137 HE3 LYS 18 1HE LYS 18 -0.209 10.236 8.960
138 HZ1 LYS 18 1HZ LYS 18 1.801 12.358 8.529
139 HZ2 LYS 18 2HZ LYS 18 1.544 11.594 10.002
140 HZ3 LYS 18 3HZ LYS 18 0.306 12.517 9.304
141 H LYS 19 H LYS 19 3.611 7.044 4.716
142 HA LYS 19 HA LYS 19 2.112 8.673 3.028
143 HB2 LYS 19 2HB LYS 19 4.570 8.696 3.180
144 HB3 LYS 19 1HB LYS 19 4.621 7.122 2.404
145 HG2 LYS 19 2HG LYS 19 3.690 8.102 0.363
146 HG3 LYS 19 1HG LYS 19 3.639 9.682 1.151
147 HD2 LYS 19 2HD LYS 19 6.087 9.545 1.495
148 HD3 LYS 19 1HD LYS 19 6.100 8.026 0.606
149 HE2 LYS 19 2HE LYS 19 5.223 10.699 -0.489
150 HE3 LYS 19 1HE LYS 19 6.785 9.939 -0.766
151 HZ1 LYS 19 1HZ LYS 19 5.595 8.093 -1.887
152 HZ2 LYS 19 2HZ LYS 19 5.344 9.573 -2.632
153 HZ3 LYS 19 3HZ LYS 19 4.137 8.926 -1.683
154 H CYS 20 H CYS 20 3.193 5.308 2.481
155 HA CYS 20 HA CYS 20 1.836 5.033 0.034
156 HB2 CYS 20 2HB CYS 20 2.762 2.891 1.952
157 HB3 CYS 20 1HB CYS 20 2.212 2.632 0.299
158 H ASN 21 H ASN 21 0.862 4.334 3.370
159 HA ASN 21 HA ASN 21 -1.442 2.859 2.847
160 HB2 ASN 21 2HB ASN 21 -0.512 3.099 5.120
161 HB3 ASN 21 1HB ASN 21 -0.968 4.798 5.130
162 HD21 ASN 21 1HD2 ASN 21 -3.146 5.347 5.512
163 HD22 ASN 21 2HD2 ASN 21 -4.305 4.154 5.963
164 H HIS 22 H HIS 22 -1.068 6.351 3.288
165 HA HIS 22 HA HIS 22 -3.833 6.664 2.639
166 HB2 HIS 22 2HB HIS 22 -1.756 8.665 3.441
167 HB3 HIS 22 1HB HIS 22 -3.361 9.157 2.892
168 HD1 HIS 22 1HD HIS 22 -5.364 8.630 4.455
169 HD2 HIS 22 2HD HIS 22 -1.665 7.438 5.932
170 HE1 HIS 22 1HE HIS 22 -5.762 7.981 6.857
171 H TRP 23 H TRP 23 -0.842 7.008 0.915
172 HA TRP 23 HA TRP 23 -1.839 8.345 -1.328
173 HB2 TRP 23 2HB TRP 23 0.569 7.819 -1.066
174 HB3 TRP 23 1HB TRP 23 0.211 6.104 -1.228
175 HD1 TRP 23 HD TRP 23 0.110 5.134 -3.656
176 HE1 TRP 23 1HE TRP 23 0.366 6.149 -6.013
177 HE3 TRP 23 3HE TRP 23 0.056 10.083 -2.413
178 HZ2 TRP 23 2HZ TRP 23 0.518 8.718 -7.181
179 HZ3 TRP 23 3HZ TRP 23 0.260 11.752 -4.207
180 HH2 TRP 23 HH TRP 23 0.483 11.071 -6.536
181 H CYS 24 H CYS 24 -1.688 4.893 -0.582
182 HA CYS 24 HA CYS 24 -3.160 4.147 -2.820
183 HB2 CYS 24 2HB CYS 24 -2.474 2.750 -0.275
184 HB3 CYS 24 1HB CYS 24 -3.501 1.958 -1.457
185 H MET 25 H MET 25 -4.216 4.772 0.527
186 HA MET 25 HA MET 25 -6.859 3.918 0.156
187 HB2 MET 25 2HB MET 25 -5.736 4.388 2.366
188 HB3 MET 25 1HB MET 25 -5.960 6.100 2.044
189 HG2 MET 25 2HG MET 25 -8.367 5.783 1.972
190 HG3 MET 25 1HG MET 25 -8.158 4.061 2.287
191 HE1 MET 25 1HE MET 25 -9.677 3.934 4.372
192 HE2 MET 25 2HE MET 25 -10.154 5.584 3.997
193 HE3 MET 25 3HE MET 25 -9.701 5.151 5.647
194 H GLU 26 H GLU 26 -5.357 7.054 -0.409
195 HA GLU 26 HA GLU 26 -7.847 8.313 -1.109
196 HB2 GLU 26 2HB GLU 26 -6.116 9.566 0.037
197 HB3 GLU 26 1HB GLU 26 -4.979 9.226 -1.249
198 HG2 GLU 26 2HG GLU 26 -6.270 10.599 -2.777
199 HG3 GLU 26 1HG GLU 26 -7.466 10.899 -1.513
200 H LYS 27 H LYS 27 -4.801 7.752 -2.902
201 HA LYS 27 HA LYS 27 -5.961 8.620 -5.364
202 HB2 LYS 27 2HB LYS 27 -3.335 7.224 -4.886
203 HB3 LYS 27 1HB LYS 27 -3.822 8.088 -6.331
204 HG2 LYS 27 2HG LYS 27 -3.471 9.347 -3.624
205 HG3 LYS 27 1HG LYS 27 -2.250 9.331 -4.891
206 HD2 LYS 27 2HD LYS 27 -3.815 10.528 -6.361
207 HD3 LYS 27 1HD LYS 27 -4.974 10.606 -5.027
208 HE2 LYS 27 2HE LYS 27 -3.358 11.840 -3.686
209 HE3 LYS 27 1HE LYS 27 -2.182 11.756 -4.995
210 HZ1 LYS 27 1HZ LYS 27 -3.264 13.887 -4.981
211 HZ2 LYS 27 2HZ LYS 27 -4.786 13.176 -5.050
212 HZ3 LYS 27 3HZ LYS 27 -3.742 13.049 -6.363
213 H GLU 28 H GLU 28 -5.169 5.448 -3.945
214 HA GLU 28 HA GLU 28 -5.678 4.214 -6.548
215 HB2 GLU 28 2HB GLU 28 -4.504 3.063 -4.021
216 HB3 GLU 28 1HB GLU 28 -4.622 2.254 -5.573
217 HG2 GLU 28 2HG GLU 28 -3.035 4.762 -5.090
218 HG3 GLU 28 1HG GLU 28 -2.355 3.130 -5.087
219 H ASP 29 H ASP 29 -7.322 5.043 -3.879
220 HA ASP 29 HA ASP 29 -9.111 4.371 -2.695
221 HB2 ASP 29 2HB ASP 29 -10.224 4.633 -4.902
222 HB3 ASP 29 1HB ASP 29 -9.873 2.953 -5.277
223 H ALA 30 H ALA 30 -7.615 3.199 -1.427
224 HA ALA 30 HA ALA 30 -7.997 0.275 -1.579
225 HB1 ALA 30 1HB ALA 30 -5.666 0.903 -1.998
226 HB2 ALA 30 2HB ALA 30 -5.823 0.026 -0.476
227 HB3 ALA 30 3HB ALA 30 -5.626 1.780 -0.468
228 H LYS 31 H LYS 31 -7.677 -0.742 0.623
229 HA LYS 31 HA LYS 31 -9.393 0.694 2.484
230 HB2 LYS 31 2HB LYS 31 -8.067 -2.005 2.821
231 HB3 LYS 31 1HB LYS 31 -9.288 -1.329 3.880
232 HG2 LYS 31 2HG LYS 31 -10.844 -1.361 1.889
233 HG3 LYS 31 1HG LYS 31 -9.617 -2.327 1.064
234 HD2 LYS 31 2HD LYS 31 -10.976 -3.026 3.673
235 HD3 LYS 31 1HD LYS 31 -11.339 -3.740 2.112
236 HE2 LYS 31 2HE LYS 31 -9.128 -4.736 2.004
237 HE3 LYS 31 1HE LYS 31 -8.652 -3.919 3.492
238 HZ1 LYS 31 1HZ LYS 31 -10.831 -5.913 3.276
239 HZ2 LYS 31 2HZ LYS 31 -10.331 -5.172 4.676
240 HZ3 LYS 31 3HZ LYS 31 -9.292 -6.257 3.865
241 H TYR 32 H TYR 32 -6.149 -0.699 2.425
242 HA TYR 32 HA TYR 32 -5.005 1.389 3.930
243 HB2 TYR 32 2HB TYR 32 -4.238 -0.087 5.844
244 HB3 TYR 32 1HB TYR 32 -5.948 0.315 5.883
245 HD1 TYR 32 1HD TYR 32 -3.489 -2.392 5.404
246 HD2 TYR 32 2HD TYR 32 -7.623 -1.408 5.553
247 HE1 TYR 32 1HE TYR 32 -4.059 -4.776 5.571
248 HE2 TYR 32 2HE TYR 32 -8.185 -3.771 5.720
249 HH TYR 32 HH TYR 32 -5.925 -6.183 6.354
250 H GLY 33 H GLY 33 -2.745 1.175 3.983
251 HA2 GLY 33 2HA GLY 33 -1.689 -1.047 2.394
252 HA3 GLY 33 1HA GLY 33 -1.106 0.613 2.178
253 H SER 34 H SER 34 0.012 -2.075 3.268
254 HA SER 34 HA SER 34 1.092 -0.839 5.672
255 HB2 SER 34 2HB SER 34 -0.590 -2.668 6.205
256 HB3 SER 34 1HB SER 34 0.503 -3.804 5.419
257 HG SER 34 HG SER 34 1.329 -2.139 7.559
258 H CYS 35 H CYS 35 3.238 -2.028 6.278
259 HA CYS 35 HA CYS 35 4.726 -2.118 3.782
260 HB2 CYS 35 2HB CYS 35 5.269 -0.500 5.733
261 HB3 CYS 35 1HB CYS 35 5.909 -1.924 6.544
262 H SER 36 H SER 36 5.562 -3.950 3.118
263 HA SER 36 HA SER 36 5.789 -6.181 4.998
264 HB2 SER 36 2HB SER 36 3.730 -6.360 3.549
265 HB3 SER 36 1HB SER 36 4.786 -6.348 2.147
266 HG SER 36 HG SER 36 5.396 -8.207 4.112
267 H HIS 37 H HIS 37 7.928 -6.410 5.137
268 HA HIS 37 HA HIS 37 10.043 -7.017 4.611
269 HB2 HIS 37 2HB HIS 37 9.009 -7.499 1.794
270 HB3 HIS 37 1HB HIS 37 10.547 -8.060 2.433
271 HD1 HIS 37 1HD HIS 37 7.251 -9.255 1.774
272 HD2 HIS 37 2HD HIS 37 10.020 -9.850 4.800
273 HE1 HIS 37 1HE HIS 37 6.563 -11.376 2.919
274 H GLY 38 H GLY 38 8.864 -4.283 4.055
275 HA2 GLY 38 2HA GLY 38 10.125 -2.326 3.749
276 HA3 GLY 38 1HA GLY 38 11.265 -3.243 2.771
277 H ASP 39 H ASP 39 8.002 -3.845 2.005
278 HA ASP 39 HA ASP 39 8.022 -1.763 -0.053
279 HB2 ASP 39 2HB ASP 39 7.362 -4.660 -0.354
280 HB3 ASP 39 1HB ASP 39 6.620 -3.469 -1.417
281 H CYS 40 H CYS 40 6.021 -1.028 -0.748
282 HA CYS 40 HA CYS 40 4.120 -0.926 1.451
283 HB2 CYS 40 2HB CYS 40 4.184 0.608 -1.153
284 HB3 CYS 40 1HB CYS 40 3.088 0.890 0.192
285 H TYR 41 H TYR 41 2.854 -2.726 1.410
286 HA TYR 41 HA TYR 41 1.623 -3.444 -1.120
287 HB2 TYR 41 2HB TYR 41 1.965 -4.957 1.454
288 HB3 TYR 41 1HB TYR 41 0.702 -5.425 0.324
289 HD1 TYR 41 1HD TYR 41 1.206 -6.772 -1.547
290 HD2 TYR 41 2HD TYR 41 4.396 -4.880 0.549
291 HE1 TYR 41 1HE TYR 41 2.821 -8.004 -2.906
292 HE2 TYR 41 2HE TYR 41 6.016 -6.120 -0.807
293 HH TYR 41 HH TYR 41 6.257 -7.936 -2.251
294 H CYS 42 H CYS 42 -0.165 -2.601 -1.603
295 HA CYS 42 HA CYS 42 -1.781 -1.494 0.510
296 HB2 CYS 42 2HB CYS 42 -1.885 -1.080 -2.479
297 HB3 CYS 42 1HB CYS 42 -2.877 -0.229 -1.290
298 H TYR 43 H TYR 43 -3.579 -2.344 1.154
299 HA TYR 43 HA TYR 43 -4.435 -4.779 -0.164
300 HB2 TYR 43 2HB TYR 43 -4.926 -3.776 2.650
301 HB3 TYR 43 1HB TYR 43 -5.498 -5.313 2.001
302 HD1 TYR 43 1HD TYR 43 -2.564 -3.475 3.222
303 HD2 TYR 43 2HD TYR 43 -3.951 -7.130 1.573
304 HE1 TYR 43 1HE TYR 43 -0.469 -4.559 3.861
305 HE2 TYR 43 2HE TYR 43 -1.872 -8.216 2.211
306 HH TYR 43 HH TYR 43 0.354 -6.807 4.339
307 H TYR 44 H TYR 44 -6.276 -4.975 -1.039
308 HA TYR 44 HA TYR 44 -8.158 -2.731 -0.947
309 HB2 TYR 44 2HB TYR 44 -7.604 -4.739 -3.136
310 HB3 TYR 44 1HB TYR 44 -8.878 -3.526 -3.180
311 HD1 TYR 44 1HD TYR 44 -5.295 -4.136 -3.489
312 HD2 TYR 44 2HD TYR 44 -8.326 -1.164 -3.399
313 HE1 TYR 44 1HE TYR 44 -3.716 -2.499 -4.386
314 HE2 TYR 44 2HE TYR 44 -6.779 0.466 -4.283
315 HH TYR 44 HH TYR 44 -4.335 0.807 -4.374
316 H HIS 45 H HIS 45 -10.370 -3.555 -1.668
317 HA HIS 45 HA HIS 45 -11.109 -5.741 0.094
318 HB2 HIS 45 2HB HIS 45 -12.265 -3.500 0.234
319 HB3 HIS 45 1HB HIS 45 -12.836 -3.754 -1.405
320 HD1 HIS 45 1HD HIS 45 -15.099 -4.853 -1.589
321 HD2 HIS 45 2HD HIS 45 -13.247 -5.552 2.061
322 HE1 HIS 45 1HE HIS 45 -16.807 -6.008 -0.163
323 H CYS 46 H CYS 46 -10.864 -7.611 -0.990
324 HA CYS 46 HA CYS 46 -11.848 -7.733 -3.723
325 HB2 CYS 46 2HB CYS 46 -9.908 -9.553 -2.274
326 HB3 CYS 46 1HB CYS 46 -10.458 -9.773 -3.930
Start of MODEL 17
1 H1 ALA 1 H ALA 1 -13.719 -10.620 7.217
2 HA ALA 1 HA ALA 1 -13.382 -10.530 4.518
3 HB1 ALA 1 1HB ALA 1 -13.860 -8.562 5.935
4 HB2 ALA 1 2HB ALA 1 -12.579 -8.248 4.766
5 HB3 ALA 1 3HB ALA 1 -12.172 -8.557 6.452
6 H LYS 2 H LYS 2 -11.556 -10.067 3.117
7 HA LYS 2 HA LYS 2 -9.047 -11.174 4.174
8 HB2 LYS 2 2HB LYS 2 -10.301 -11.610 1.463
9 HB3 LYS 2 1HB LYS 2 -8.649 -12.053 1.854
10 HG2 LYS 2 2HG LYS 2 -11.104 -13.144 3.219
11 HG3 LYS 2 1HG LYS 2 -10.202 -13.956 1.938
12 HD2 LYS 2 2HD LYS 2 -8.201 -13.972 3.364
13 HD3 LYS 2 1HD LYS 2 -9.109 -13.159 4.636
14 HE2 LYS 2 2HE LYS 2 -8.941 -15.553 5.063
15 HE3 LYS 2 1HE LYS 2 -10.612 -15.066 4.811
16 HZ1 LYS 2 1HZ LYS 2 -10.498 -15.936 2.556
17 HZ2 LYS 2 2HZ LYS 2 -10.056 -17.126 3.650
18 HZ3 LYS 2 3HZ LYS 2 -8.869 -16.332 2.764
19 H HIS 3 H HIS 3 -7.386 -9.873 4.054
20 HA HIS 3 HA HIS 3 -7.639 -7.459 2.469
21 HB2 HIS 3 2HB HIS 3 -5.664 -6.628 3.749
22 HB3 HIS 3 1HB HIS 3 -6.997 -7.078 4.794
23 HD1 HIS 3 1HD HIS 3 -3.503 -8.193 3.822
24 HD2 HIS 3 2HD HIS 3 -6.462 -9.097 6.593
25 HE1 HIS 3 1HE HIS 3 -2.426 -9.718 5.505
26 H CYS 4 H CYS 4 -6.574 -7.130 0.683
27 HA CYS 4 HA CYS 4 -4.317 -8.867 0.079
28 HB2 CYS 4 2HB CYS 4 -6.675 -8.214 -1.639
29 HB3 CYS 4 1HB CYS 4 -5.125 -8.506 -2.406
30 H GLY 5 H GLY 5 -2.582 -7.769 0.003
31 HA2 GLY 5 2HA GLY 5 -2.625 -4.942 -0.661
32 HA3 GLY 5 1HA GLY 5 -1.253 -5.863 -0.041
33 H LYS 6 H LYS 6 -1.860 -4.113 -2.469
34 HA LYS 6 HA LYS 6 -1.568 -5.756 -4.727
35 HB2 LYS 6 2HB LYS 6 -0.814 -3.778 -5.955
36 HB3 LYS 6 1HB LYS 6 -2.242 -3.424 -5.008
37 HG2 LYS 6 2HG LYS 6 -0.869 -2.254 -3.373
38 HG3 LYS 6 1HG LYS 6 0.590 -2.707 -4.257
39 HD2 LYS 6 2HD LYS 6 -0.314 -1.500 -6.240
40 HD3 LYS 6 1HD LYS 6 -1.646 -0.932 -5.232
41 HE2 LYS 6 2HE LYS 6 -0.077 0.209 -3.768
42 HE3 LYS 6 1HE LYS 6 1.270 -0.441 -4.698
43 HZ1 LYS 6 1HZ LYS 6 0.461 0.807 -6.618
44 HZ2 LYS 6 2HZ LYS 6 0.847 1.812 -5.348
45 HZ3 LYS 6 3HZ LYS 6 -0.767 1.499 -5.701
46 H HIS 7 H HIS 7 0.130 -6.513 -5.814
47 HA HIS 7 HA HIS 7 2.509 -6.969 -4.279
48 HB2 HIS 7 2HB HIS 7 1.481 -8.753 -5.657
49 HB3 HIS 7 1HB HIS 7 1.761 -7.796 -7.102
50 HD1 HIS 7 1HD HIS 7 3.375 -9.352 -8.284
51 HD2 HIS 7 2HD HIS 7 4.489 -8.575 -4.362
52 HE1 HIS 7 1HE HIS 7 5.685 -10.329 -8.008
53 H SER 8 H SER 8 4.272 -5.684 -4.332
54 HA SER 8 HA SER 8 4.252 -3.487 -6.091
55 HB2 SER 8 2HB SER 8 6.354 -2.857 -4.857
56 HB3 SER 8 1HB SER 8 4.915 -3.048 -3.855
57 HG SER 8 HG SER 8 7.125 -4.085 -3.370
58 H LYS 9 H LYS 9 4.372 -4.576 -8.040
59 HA LYS 9 HA LYS 9 6.899 -5.682 -8.885
60 HB2 LYS 9 2HB LYS 9 4.544 -4.717 -10.539
61 HB3 LYS 9 1HB LYS 9 5.902 -5.668 -11.129
62 HG2 LYS 9 2HG LYS 9 5.228 -7.517 -9.633
63 HG3 LYS 9 1HG LYS 9 3.841 -6.562 -9.122
64 HD2 LYS 9 2HD LYS 9 3.161 -8.165 -10.800
65 HD3 LYS 9 1HD LYS 9 3.033 -6.535 -11.450
66 HE2 LYS 9 2HE LYS 9 3.996 -8.093 -13.082
67 HE3 LYS 9 1HE LYS 9 5.127 -6.819 -12.661
68 HZ1 LYS 9 1HZ LYS 9 6.143 -9.023 -12.776
69 HZ2 LYS 9 2HZ LYS 9 5.184 -9.577 -11.518
70 HZ3 LYS 9 3HZ LYS 9 6.325 -8.361 -11.247
71 H SER 10 H SER 10 5.178 -2.714 -8.795
72 HA SER 10 HA SER 10 7.154 -1.146 -10.120
73 HB2 SER 10 2HB SER 10 4.742 -0.459 -9.920
74 HB3 SER 10 1HB SER 10 4.939 -0.374 -8.174
75 HG SER 10 HG SER 10 5.632 1.535 -8.428
76 H TRP 11 H TRP 11 9.062 -0.760 -9.208
77 HA TRP 11 HA TRP 11 9.577 -1.631 -6.558
78 HB2 TRP 11 2HB TRP 11 11.233 -2.013 -8.292
79 HB3 TRP 11 1HB TRP 11 11.403 -0.280 -8.547
80 HD1 TRP 11 HD TRP 11 12.068 -2.919 -5.795
81 HE1 TRP 11 1HE TRP 11 14.035 -2.104 -4.357
82 HE3 TRP 11 3HE TRP 11 12.803 1.660 -7.939
83 HZ2 TRP 11 2HZ TRP 11 15.681 0.177 -4.159
84 HZ3 TRP 11 3HZ TRP 11 14.597 3.094 -7.068
85 HH2 TRP 11 HH TRP 11 16.005 2.365 -5.216
86 H ASN 12 H ASN 12 9.270 -0.563 -4.843
87 HA ASN 12 HA ASN 12 9.558 2.350 -4.810
88 HB2 ASN 12 2HB ASN 12 8.193 0.440 -2.910
89 HB3 ASN 12 1HB ASN 12 8.653 2.054 -2.404
90 HD21 ASN 12 1HD2 ASN 12 6.652 2.768 -2.055
91 HD22 ASN 12 2HD2 ASN 12 5.477 3.035 -3.294
92 H GLY 13 H GLY 13 11.338 3.157 -3.987
93 HA2 GLY 13 2HA GLY 13 13.425 1.470 -3.119
94 HA3 GLY 13 1HA GLY 13 13.407 3.229 -3.051
95 H LYS 14 H LYS 14 11.067 3.468 -1.458
96 HA LYS 14 HA LYS 14 11.926 2.267 1.053
97 HB2 LYS 14 2HB LYS 14 11.251 5.131 0.506
98 HB3 LYS 14 1HB LYS 14 10.928 4.423 2.065
99 HG2 LYS 14 2HG LYS 14 12.974 5.585 2.221
100 HG3 LYS 14 1HG LYS 14 13.342 3.869 2.234
101 HD2 LYS 14 2HD LYS 14 14.909 5.168 0.847
102 HD3 LYS 14 1HD LYS 14 14.003 3.995 -0.114
103 HE2 LYS 14 2HE LYS 14 12.595 5.627 -0.987
104 HE3 LYS 14 1HE LYS 14 13.087 6.821 0.209
105 HZ1 LYS 14 1HZ LYS 14 15.285 6.855 -0.899
106 HZ2 LYS 14 2HZ LYS 14 14.072 7.231 -2.003
107 HZ3 LYS 14 3HZ LYS 14 14.762 5.709 -2.009
108 H CYS 15 H CYS 15 10.249 2.644 2.643
109 HA CYS 15 HA CYS 15 7.570 2.781 1.585
110 HB2 CYS 15 2HB CYS 15 8.043 0.375 1.752
111 HB3 CYS 15 1HB CYS 15 8.484 0.585 3.448
112 H PHE 16 H PHE 16 6.603 4.297 2.658
113 HA PHE 16 HA PHE 16 7.179 4.564 5.497
114 HB2 PHE 16 2HB PHE 16 6.476 6.696 3.458
115 HB3 PHE 16 1HB PHE 16 6.432 6.963 5.199
116 HD1 PHE 16 1HD PHE 16 8.433 7.192 6.459
117 HD2 PHE 16 2HD PHE 16 8.645 6.381 2.290
118 HE1 PHE 16 1HE PHE 16 10.819 7.759 6.467
119 HE2 PHE 16 2HE PHE 16 11.013 6.956 2.294
120 HZ PHE 16 HZ PHE 16 12.115 7.640 4.370
121 H HIS 17 H HIS 17 5.587 3.804 6.610
122 HA HIS 17 HA HIS 17 3.277 2.829 5.437
123 HB2 HIS 17 2HB HIS 17 2.433 2.315 7.694
124 HB3 HIS 17 1HB HIS 17 4.107 1.832 7.491
125 HD1 HIS 17 1HD HIS 17 1.877 3.780 9.664
126 HD2 HIS 17 2HD HIS 17 5.963 3.540 8.933
127 HE1 HIS 17 1HE HIS 17 3.002 4.889 11.621
128 H LYS 18 H LYS 18 3.721 5.877 7.106
129 HA LYS 18 HA LYS 18 0.971 6.578 7.108
130 HB2 LYS 18 2HB LYS 18 2.613 7.785 8.493
131 HB3 LYS 18 1HB LYS 18 3.371 8.417 7.039
132 HG2 LYS 18 2HG LYS 18 1.258 9.540 6.453
133 HG3 LYS 18 1HG LYS 18 0.567 8.974 7.968
134 HD2 LYS 18 2HD LYS 18 2.220 10.245 9.214
135 HD3 LYS 18 1HD LYS 18 2.972 10.768 7.703
136 HE2 LYS 18 2HE LYS 18 0.897 11.869 7.042
137 HE3 LYS 18 1HE LYS 18 0.138 11.330 8.536
138 HZ1 LYS 18 1HZ LYS 18 2.453 13.168 8.333
139 HZ2 LYS 18 2HZ LYS 18 1.721 12.668 9.772
140 HZ3 LYS 18 3HZ LYS 18 0.861 13.620 8.670
141 H LYS 19 H LYS 19 3.617 7.254 4.877
142 HA LYS 19 HA LYS 19 2.184 8.837 3.064
143 HB2 LYS 19 2HB LYS 19 4.661 8.690 3.148
144 HB3 LYS 19 1HB LYS 19 4.558 7.052 2.523
145 HG2 LYS 19 2HG LYS 19 3.643 7.881 0.442
146 HG3 LYS 19 1HG LYS 19 3.645 9.529 1.078
147 HD2 LYS 19 2HD LYS 19 6.090 9.390 1.352
148 HD3 LYS 19 1HD LYS 19 6.063 7.778 0.643
149 HE2 LYS 19 2HE LYS 19 5.178 8.683 -1.430
150 HE3 LYS 19 1HE LYS 19 5.133 10.296 -0.725
151 HZ1 LYS 19 1HZ LYS 19 7.084 9.978 -2.114
152 HZ2 LYS 19 2HZ LYS 19 7.603 8.696 -1.158
153 HZ3 LYS 19 3HZ LYS 19 7.523 10.248 -0.515
154 H CYS 20 H CYS 20 2.921 5.373 3.067
155 HA CYS 20 HA CYS 20 1.594 4.678 0.714
156 HB2 CYS 20 2HB CYS 20 2.067 3.074 3.224
157 HB3 CYS 20 1HB CYS 20 1.413 2.391 1.740
158 H ASN 21 H ASN 21 0.392 4.883 4.026
159 HA ASN 21 HA ASN 21 -2.175 3.920 3.532
160 HB2 ASN 21 2HB ASN 21 -1.293 4.108 5.794
161 HB3 ASN 21 1HB ASN 21 -1.226 5.859 5.648
162 HD21 ASN 21 1HD2 ASN 21 -3.100 7.058 5.981
163 HD22 ASN 21 2HD2 ASN 21 -4.571 6.325 6.484
164 H HIS 22 H HIS 22 -1.093 7.301 3.805
165 HA HIS 22 HA HIS 22 -3.664 8.295 3.117
166 HB2 HIS 22 2HB HIS 22 -1.003 9.713 3.229
167 HB3 HIS 22 1HB HIS 22 -2.521 10.526 2.867
168 HD1 HIS 22 1HD HIS 22 -4.004 11.151 4.875
169 HD2 HIS 22 2HD HIS 22 -0.811 8.685 5.847
170 HE1 HIS 22 1HE HIS 22 -3.934 11.071 7.386
171 H TRP 23 H TRP 23 -0.848 7.539 1.206
172 HA TRP 23 HA TRP 23 -1.753 8.881 -1.116
173 HB2 TRP 23 2HB TRP 23 0.616 8.240 -0.787
174 HB3 TRP 23 1HB TRP 23 0.159 6.547 -0.912
175 HD1 TRP 23 HD TRP 23 0.036 5.538 -3.306
176 HE1 TRP 23 1HE TRP 23 0.334 6.478 -5.670
177 HE3 TRP 23 3HE TRP 23 0.171 10.495 -2.163
178 HZ2 TRP 23 2HZ TRP 23 0.601 9.021 -6.901
179 HZ3 TRP 23 3HZ TRP 23 0.441 12.113 -3.970
180 HH2 TRP 23 HH TRP 23 0.656 11.392 -6.300
181 H CYS 24 H CYS 24 -1.641 5.413 -0.351
182 HA CYS 24 HA CYS 24 -3.089 4.734 -2.638
183 HB2 CYS 24 2HB CYS 24 -2.223 3.258 -0.229
184 HB3 CYS 24 1HB CYS 24 -3.291 2.443 -1.350
185 H MET 25 H MET 25 -4.221 5.386 0.632
186 HA MET 25 HA MET 25 -6.783 4.278 0.328
187 HB2 MET 25 2HB MET 25 -5.866 4.976 2.495
188 HB3 MET 25 1HB MET 25 -5.957 6.659 1.997
189 HG2 MET 25 2HG MET 25 -8.399 6.462 1.834
190 HG3 MET 25 1HG MET 25 -8.289 4.789 2.375
191 HE1 MET 25 1HE MET 25 -6.961 5.196 6.040
192 HE2 MET 25 2HE MET 25 -5.934 5.050 4.621
193 HE3 MET 25 3HE MET 25 -7.395 4.069 4.755
194 H GLU 26 H GLU 26 -5.468 7.375 -0.625
195 HA GLU 26 HA GLU 26 -8.066 8.348 -1.474
196 HB2 GLU 26 2HB GLU 26 -6.430 9.888 -0.450
197 HB3 GLU 26 1HB GLU 26 -5.318 9.565 -1.774
198 HG2 GLU 26 2HG GLU 26 -7.009 10.475 -3.331
199 HG3 GLU 26 1HG GLU 26 -7.999 10.905 -1.941
200 H LYS 27 H LYS 27 -4.905 7.675 -2.934
201 HA LYS 27 HA LYS 27 -5.666 8.337 -5.529
202 HB2 LYS 27 2HB LYS 27 -3.354 8.415 -4.794
203 HB3 LYS 27 1HB LYS 27 -3.337 6.673 -4.579
204 HG2 LYS 27 2HG LYS 27 -2.201 7.317 -6.631
205 HG3 LYS 27 1HG LYS 27 -3.647 6.368 -6.985
206 HD2 LYS 27 2HD LYS 27 -4.876 8.461 -7.419
207 HD3 LYS 27 1HD LYS 27 -3.392 9.370 -7.138
208 HE2 LYS 27 2HE LYS 27 -3.835 7.290 -9.270
209 HE3 LYS 27 1HE LYS 27 -3.845 9.030 -9.524
210 HZ1 LYS 27 1HZ LYS 27 -1.501 9.078 -8.824
211 HZ2 LYS 27 2HZ LYS 27 -1.765 8.112 -10.169
212 HZ3 LYS 27 3HZ LYS 27 -1.508 7.382 -8.681
213 H GLU 28 H GLU 28 -5.485 5.118 -3.975
214 HA GLU 28 HA GLU 28 -6.699 4.127 -6.453
215 HB2 GLU 28 2HB GLU 28 -4.759 2.721 -4.641
216 HB3 GLU 28 1HB GLU 28 -5.620 1.946 -5.964
217 HG2 GLU 28 2HG GLU 28 -4.573 3.535 -7.530
218 HG3 GLU 28 1HG GLU 28 -3.661 4.213 -6.183
219 H ASP 29 H ASP 29 -7.643 5.050 -3.722
220 HA ASP 29 HA ASP 29 -9.184 4.550 -2.148
221 HB2 ASP 29 2HB ASP 29 -10.570 4.599 -4.274
222 HB3 ASP 29 1HB ASP 29 -10.433 2.851 -4.338
223 H ALA 30 H ALA 30 -7.400 3.410 -1.173
224 HA ALA 30 HA ALA 30 -7.769 0.501 -0.985
225 HB1 ALA 30 1HB ALA 30 -5.459 2.221 -0.070
226 HB2 ALA 30 2HB ALA 30 -5.502 1.247 -1.540
227 HB3 ALA 30 3HB ALA 30 -5.543 0.462 0.038
228 H LYS 31 H LYS 31 -7.389 -0.385 1.230
229 HA LYS 31 HA LYS 31 -9.080 1.027 3.092
230 HB2 LYS 31 2HB LYS 31 -7.539 -1.554 3.417
231 HB3 LYS 31 1HB LYS 31 -8.709 -0.921 4.560
232 HG2 LYS 31 2HG LYS 31 -10.428 -1.087 2.764
233 HG3 LYS 31 1HG LYS 31 -9.223 -1.916 1.777
234 HD2 LYS 31 2HD LYS 31 -9.000 -3.652 3.454
235 HD3 LYS 31 1HD LYS 31 -10.133 -2.804 4.506
236 HE2 LYS 31 2HE LYS 31 -11.835 -3.019 2.702
237 HE3 LYS 31 1HE LYS 31 -10.685 -4.046 1.844
238 HZ1 LYS 31 1HZ LYS 31 -11.803 -4.559 4.533
239 HZ2 LYS 31 2HZ LYS 31 -10.721 -5.577 3.751
240 HZ3 LYS 31 3HZ LYS 31 -12.280 -5.321 3.125
241 H TYR 32 H TYR 32 -5.728 0.025 2.799
242 HA TYR 32 HA TYR 32 -4.730 2.284 4.117
243 HB2 TYR 32 2HB TYR 32 -3.646 1.124 6.041
244 HB3 TYR 32 1HB TYR 32 -5.396 1.153 6.189
245 HD1 TYR 32 1HD TYR 32 -2.426 -0.953 5.734
246 HD2 TYR 32 2HD TYR 32 -6.665 -0.942 6.046
247 HE1 TYR 32 1HE TYR 32 -2.398 -3.375 6.116
248 HE2 TYR 32 2HE TYR 32 -6.655 -3.354 6.421
249 HH TYR 32 HH TYR 32 -3.737 -5.130 7.023
250 H GLY 33 H GLY 33 -2.381 2.202 4.150
251 HA2 GLY 33 2HA GLY 33 -1.264 0.109 2.430
252 HA3 GLY 33 1HA GLY 33 -0.754 1.805 2.334
253 H SER 34 H SER 34 0.674 -0.774 3.158
254 HA SER 34 HA SER 34 1.794 0.352 5.576
255 HB2 SER 34 2HB SER 34 -0.099 -1.240 6.217
256 HB3 SER 34 1HB SER 34 0.867 -2.534 5.518
257 HG SER 34 HG SER 34 1.155 -1.138 7.865
258 H CYS 35 H CYS 35 3.683 -1.192 6.233
259 HA CYS 35 HA CYS 35 5.214 -1.613 3.794
260 HB2 CYS 35 2HB CYS 35 6.097 -1.101 6.632
261 HB3 CYS 35 1HB CYS 35 7.180 -1.380 5.268
262 H SER 36 H SER 36 5.968 -3.519 3.278
263 HA SER 36 HA SER 36 6.308 -5.574 5.264
264 HB2 SER 36 2HB SER 36 3.974 -5.914 4.438
265 HB3 SER 36 1HB SER 36 4.574 -5.940 2.783
266 HG SER 36 HG SER 36 4.401 -8.002 3.326
267 H HIS 37 H HIS 37 8.191 -6.536 4.827
268 HA HIS 37 HA HIS 37 10.088 -7.248 3.806
269 HB2 HIS 37 2HB HIS 37 8.690 -6.726 1.154
270 HB3 HIS 37 1HB HIS 37 10.176 -7.636 1.368
271 HD1 HIS 37 1HD HIS 37 6.695 -8.179 0.827
272 HD2 HIS 37 2HD HIS 37 9.618 -9.985 3.163
273 HE1 HIS 37 1HE HIS 37 5.792 -10.450 1.432
274 H GLY 38 H GLY 38 9.115 -4.204 3.898
275 HA2 GLY 38 2HA GLY 38 10.463 -2.256 3.775
276 HA3 GLY 38 1HA GLY 38 11.581 -3.126 2.723
277 H ASP 39 H ASP 39 8.511 -3.757 1.765
278 HA ASP 39 HA ASP 39 8.578 -1.705 -0.322
279 HB2 ASP 39 2HB ASP 39 7.559 -4.510 -0.246
280 HB3 ASP 39 1HB ASP 39 6.865 -3.360 -1.370
281 H CYS 40 H CYS 40 6.571 -0.946 -1.043
282 HA CYS 40 HA CYS 40 4.805 -0.375 1.192
283 HB2 CYS 40 2HB CYS 40 5.748 1.516 -0.033
284 HB3 CYS 40 1HB CYS 40 5.103 0.884 -1.539
285 H TYR 41 H TYR 41 3.146 -1.713 1.379
286 HA TYR 41 HA TYR 41 1.891 -2.774 -1.048
287 HB2 TYR 41 2HB TYR 41 2.011 -3.851 1.763
288 HB3 TYR 41 1HB TYR 41 0.870 -4.446 0.573
289 HD1 TYR 41 1HD TYR 41 4.540 -4.081 1.247
290 HD2 TYR 41 2HD TYR 41 1.496 -6.134 -0.919
291 HE1 TYR 41 1HE TYR 41 6.153 -5.744 0.555
292 HE2 TYR 41 2HE TYR 41 3.127 -7.798 -1.632
293 HH TYR 41 HH TYR 41 5.746 -7.897 -1.903
294 H CYS 42 H CYS 42 -0.055 -2.111 -1.476
295 HA CYS 42 HA CYS 42 -1.495 -0.624 0.586
296 HB2 CYS 42 2HB CYS 42 -1.796 -0.541 -2.421
297 HB3 CYS 42 1HB CYS 42 -2.655 0.491 -1.279
298 H TYR 43 H TYR 43 -3.270 -1.464 1.397
299 HA TYR 43 HA TYR 43 -4.020 -4.082 0.402
300 HB2 TYR 43 2HB TYR 43 -4.327 -2.773 3.089
301 HB3 TYR 43 1HB TYR 43 -5.037 -4.330 2.678
302 HD1 TYR 43 1HD TYR 43 -1.813 -2.526 3.100
303 HD2 TYR 43 2HD TYR 43 -3.726 -6.294 2.665
304 HE1 TYR 43 1HE TYR 43 0.285 -3.653 3.697
305 HE2 TYR 43 2HE TYR 43 -1.634 -7.426 3.271
306 HH TYR 43 HH TYR 43 0.961 -5.888 4.665
307 H TYR 44 H TYR 44 -5.794 -4.530 -0.411
308 HA TYR 44 HA TYR 44 -8.145 -2.771 -0.163
309 HB2 TYR 44 2HB TYR 44 -7.457 -4.588 -2.500
310 HB3 TYR 44 1HB TYR 44 -8.704 -3.356 -2.445
311 HD1 TYR 44 1HD TYR 44 -8.058 -0.954 -2.617
312 HD2 TYR 44 2HD TYR 44 -5.208 -4.070 -3.047
313 HE1 TYR 44 1HE TYR 44 -6.480 0.627 -3.632
314 HE2 TYR 44 2HE TYR 44 -3.630 -2.497 -4.049
315 HH TYR 44 HH TYR 44 -3.767 -0.342 -5.307
316 H HIS 45 H HIS 45 -10.098 -4.378 -0.819
317 HA HIS 45 HA HIS 45 -9.700 -6.809 0.733
318 HB2 HIS 45 2HB HIS 45 -11.838 -5.407 0.942
319 HB3 HIS 45 1HB HIS 45 -12.240 -5.943 -0.684
320 HD1 HIS 45 1HD HIS 45 -13.297 -8.275 -0.899
321 HD2 HIS 45 2HD HIS 45 -11.787 -7.475 2.880
322 HE1 HIS 45 1HE HIS 45 -14.053 -10.168 0.569
323 H CYS 46 H CYS 46 -9.578 -8.809 -0.149
324 HA CYS 46 HA CYS 46 -8.695 -9.166 -2.779
325 HB2 CYS 46 2HB CYS 46 -9.900 -11.273 -0.990
326 HB3 CYS 46 1HB CYS 46 -8.743 -11.516 -2.295
Start of MODEL 18
1 H1 ALA 1 H ALA 1 -11.459 -10.041 8.757
2 HA ALA 1 HA ALA 1 -13.098 -8.134 7.277
3 HB1 ALA 1 1HB ALA 1 -10.392 -7.358 8.355
4 HB2 ALA 1 2HB ALA 1 -11.937 -6.655 8.834
5 HB3 ALA 1 3HB ALA 1 -11.336 -6.436 7.188
6 H LYS 2 H LYS 2 -12.761 -8.436 5.128
7 HA LYS 2 HA LYS 2 -10.624 -10.266 4.471
8 HB2 LYS 2 2HB LYS 2 -12.956 -9.342 2.795
9 HB3 LYS 2 1HB LYS 2 -11.722 -10.478 2.268
10 HG2 LYS 2 2HG LYS 2 -12.381 -11.945 4.186
11 HG3 LYS 2 1HG LYS 2 -13.736 -10.865 4.470
12 HD2 LYS 2 2HD LYS 2 -14.532 -12.704 3.172
13 HD3 LYS 2 1HD LYS 2 -14.464 -11.300 2.110
14 HE2 LYS 2 2HE LYS 2 -13.600 -13.315 1.011
15 HE3 LYS 2 1HE LYS 2 -12.352 -12.085 1.165
16 HZ1 LYS 2 1HZ LYS 2 -11.531 -14.290 1.752
17 HZ2 LYS 2 2HZ LYS 2 -12.665 -14.428 2.985
18 HZ3 LYS 2 3HZ LYS 2 -11.463 -13.270 3.074
19 H HIS 3 H HIS 3 -8.876 -9.679 3.536
20 HA HIS 3 HA HIS 3 -8.777 -7.269 1.981
21 HB2 HIS 3 2HB HIS 3 -6.811 -6.398 3.189
22 HB3 HIS 3 1HB HIS 3 -8.244 -6.399 4.211
23 HD1 HIS 3 1HD HIS 3 -4.753 -7.100 4.403
24 HD2 HIS 3 2HD HIS 3 -8.167 -8.899 5.941
25 HE1 HIS 3 1HE HIS 3 -3.978 -8.515 6.312
26 H CYS 4 H CYS 4 -7.422 -7.449 0.378
27 HA CYS 4 HA CYS 4 -5.689 -9.778 0.335
28 HB2 CYS 4 2HB CYS 4 -7.380 -8.499 -1.777
29 HB3 CYS 4 1HB CYS 4 -6.000 -9.481 -2.234
30 H GLY 5 H GLY 5 -3.608 -9.467 -0.356
31 HA2 GLY 5 2HA GLY 5 -2.792 -6.668 -0.201
32 HA3 GLY 5 1HA GLY 5 -1.773 -8.062 0.120
33 H LYS 6 H LYS 6 -1.911 -5.636 -1.809
34 HA LYS 6 HA LYS 6 -1.016 -7.131 -4.167
35 HB2 LYS 6 2HB LYS 6 -2.941 -5.645 -4.593
36 HB3 LYS 6 1HB LYS 6 -2.032 -4.298 -3.914
37 HG2 LYS 6 2HG LYS 6 -0.355 -4.612 -5.744
38 HG3 LYS 6 1HG LYS 6 -1.442 -5.807 -6.452
39 HD2 LYS 6 2HD LYS 6 -3.187 -4.105 -6.657
40 HD3 LYS 6 1HD LYS 6 -2.111 -2.917 -5.920
41 HE2 LYS 6 2HE LYS 6 -2.093 -2.624 -8.304
42 HE3 LYS 6 1HE LYS 6 -0.529 -3.242 -7.783
43 HZ1 LYS 6 1HZ LYS 6 -1.283 -5.472 -8.501
44 HZ2 LYS 6 2HZ LYS 6 -1.204 -4.360 -9.736
45 HZ3 LYS 6 3HZ LYS 6 -2.710 -4.780 -9.091
46 H HIS 7 H HIS 7 1.033 -6.752 -4.743
47 HA HIS 7 HA HIS 7 2.628 -5.167 -2.914
48 HB2 HIS 7 2HB HIS 7 3.394 -7.458 -3.414
49 HB3 HIS 7 1HB HIS 7 3.468 -7.065 -5.126
50 HD1 HIS 7 1HD HIS 7 5.836 -6.840 -5.780
51 HD2 HIS 7 2HD HIS 7 5.137 -5.323 -1.988
52 HE1 HIS 7 1HE HIS 7 8.042 -5.874 -4.994
53 H SER 8 H SER 8 3.652 -3.355 -3.483
54 HA SER 8 HA SER 8 2.688 -1.902 -5.720
55 HB2 SER 8 2HB SER 8 4.976 -1.280 -3.851
56 HB3 SER 8 1HB SER 8 4.138 -0.133 -4.899
57 HG SER 8 HG SER 8 3.119 -1.536 -2.660
58 H LYS 9 H LYS 9 3.845 -1.180 -7.520
59 HA LYS 9 HA LYS 9 5.649 -2.990 -8.705
60 HB2 LYS 9 2HB LYS 9 4.046 -1.239 -9.800
61 HB3 LYS 9 1HB LYS 9 5.333 -0.090 -9.511
62 HG2 LYS 9 2HG LYS 9 5.584 -2.582 -11.200
63 HG3 LYS 9 1HG LYS 9 5.269 -0.970 -11.818
64 HD2 LYS 9 2HD LYS 9 7.431 -0.209 -11.010
65 HD3 LYS 9 1HD LYS 9 7.732 -1.786 -10.275
66 HE2 LYS 9 2HE LYS 9 7.345 -1.257 -13.216
67 HE3 LYS 9 1HE LYS 9 8.894 -1.528 -12.422
68 HZ1 LYS 9 1HZ LYS 9 6.662 -3.492 -12.597
69 HZ2 LYS 9 2HZ LYS 9 8.121 -3.756 -11.803
70 HZ3 LYS 9 3HZ LYS 9 8.102 -3.538 -13.463
71 H SER 10 H SER 10 5.996 0.218 -7.272
72 HA SER 10 HA SER 10 7.617 1.359 -6.366
73 HB2 SER 10 2HB SER 10 8.950 -1.320 -5.925
74 HB3 SER 10 1HB SER 10 9.344 0.184 -5.090
75 HG SER 10 HG SER 10 7.650 -1.567 -4.301
76 H TRP 11 H TRP 11 8.098 2.428 -8.202
77 HA TRP 11 HA TRP 11 10.132 1.530 -10.020
78 HB2 TRP 11 2HB TRP 11 8.724 4.195 -9.715
79 HB3 TRP 11 1HB TRP 11 9.921 3.864 -10.966
80 HD1 TRP 11 HD TRP 11 9.217 2.150 -12.892
81 HE1 TRP 11 1HE TRP 11 6.941 1.431 -13.795
82 HE3 TRP 11 3HE TRP 11 6.292 3.765 -9.024
83 HZ2 TRP 11 2HZ TRP 11 4.218 1.536 -12.970
84 HZ3 TRP 11 3HZ TRP 11 3.866 3.420 -9.161
85 HH2 TRP 11 HH TRP 11 2.854 2.331 -11.094
86 H ASN 12 H ASN 12 9.821 3.995 -7.541
87 HA ASN 12 HA ASN 12 12.298 3.458 -6.401
88 HB2 ASN 12 2HB ASN 12 13.170 4.766 -8.379
89 HB3 ASN 12 1HB ASN 12 12.226 6.147 -7.817
90 HD21 ASN 12 1HD2 ASN 12 14.055 7.408 -7.456
91 HD22 ASN 12 2HD2 ASN 12 15.144 7.093 -6.151
92 H GLY 13 H GLY 13 11.122 3.353 -4.615
93 HA2 GLY 13 2HA GLY 13 10.369 5.884 -3.449
94 HA3 GLY 13 1HA GLY 13 9.100 4.669 -3.612
95 H LYS 14 H LYS 14 10.086 5.665 -1.151
96 HA LYS 14 HA LYS 14 11.556 3.350 -0.145
97 HB2 LYS 14 2HB LYS 14 12.388 5.771 0.209
98 HB3 LYS 14 1HB LYS 14 11.032 5.934 1.313
99 HG2 LYS 14 2HG LYS 14 13.078 5.464 2.525
100 HG3 LYS 14 1HG LYS 14 11.941 4.124 2.693
101 HD2 LYS 14 2HD LYS 14 13.136 2.826 1.059
102 HD3 LYS 14 1HD LYS 14 14.177 4.195 0.667
103 HE2 LYS 14 2HE LYS 14 15.129 4.107 2.904
104 HE3 LYS 14 1HE LYS 14 14.052 2.778 3.324
105 HZ1 LYS 14 1HZ LYS 14 15.125 1.370 1.781
106 HZ2 LYS 14 2HZ LYS 14 16.361 2.120 2.648
107 HZ3 LYS 14 3HZ LYS 14 15.996 2.627 1.090
108 H CYS 15 H CYS 15 10.598 2.099 1.453
109 HA CYS 15 HA CYS 15 7.738 2.315 1.436
110 HB2 CYS 15 2HB CYS 15 8.863 0.153 1.073
111 HB3 CYS 15 1HB CYS 15 9.475 0.220 2.722
112 H PHE 16 H PHE 16 6.672 3.398 2.845
113 HA PHE 16 HA PHE 16 7.391 3.251 5.671
114 HB2 PHE 16 2HB PHE 16 6.483 5.766 4.227
115 HB3 PHE 16 1HB PHE 16 6.678 5.599 5.957
116 HD1 PHE 16 1HD PHE 16 9.077 4.972 6.764
117 HD2 PHE 16 2HD PHE 16 8.181 6.662 2.966
118 HE1 PHE 16 1HE PHE 16 11.378 5.806 6.597
119 HE2 PHE 16 2HE PHE 16 10.481 7.496 2.789
120 HZ PHE 16 HZ PHE 16 12.089 7.068 4.606
121 H HIS 17 H HIS 17 5.537 3.152 6.981
122 HA HIS 17 HA HIS 17 3.257 2.036 5.824
123 HB2 HIS 17 2HB HIS 17 3.870 3.036 8.570
124 HB3 HIS 17 1HB HIS 17 2.207 2.654 8.159
125 HD1 HIS 17 1HD HIS 17 5.504 1.026 8.898
126 HD2 HIS 17 2HD HIS 17 1.678 -0.030 7.698
127 HE1 HIS 17 1HE HIS 17 5.379 -1.473 9.121
128 H LYS 18 H LYS 18 3.747 5.328 7.041
129 HA LYS 18 HA LYS 18 1.127 6.173 6.389
130 HB2 LYS 18 2HB LYS 18 3.644 7.810 6.720
131 HB3 LYS 18 1HB LYS 18 2.037 8.491 6.547
132 HG2 LYS 18 2HG LYS 18 2.949 6.697 8.789
133 HG3 LYS 18 1HG LYS 18 2.746 8.449 8.879
134 HD2 LYS 18 2HD LYS 18 0.367 8.193 8.376
135 HD3 LYS 18 1HD LYS 18 0.570 6.445 8.284
136 HE2 LYS 18 2HE LYS 18 1.291 6.416 10.622
137 HE3 LYS 18 1HE LYS 18 1.035 8.159 10.717
138 HZ1 LYS 18 1HZ LYS 18 -1.311 7.802 10.238
139 HZ2 LYS 18 2HZ LYS 18 -0.866 6.861 11.581
140 HZ3 LYS 18 3HZ LYS 18 -1.050 6.157 10.087
141 H LYS 19 H LYS 19 4.081 6.057 4.583
142 HA LYS 19 HA LYS 19 3.227 7.570 2.371
143 HB2 LYS 19 2HB LYS 19 5.602 7.036 2.751
144 HB3 LYS 19 1HB LYS 19 5.260 5.334 2.497
145 HG2 LYS 19 2HG LYS 19 6.338 6.374 0.547
146 HG3 LYS 19 1HG LYS 19 4.741 5.731 0.169
147 HD2 LYS 19 2HD LYS 19 5.082 7.918 -0.872
148 HD3 LYS 19 1HD LYS 19 3.791 7.987 0.321
149 HE2 LYS 19 2HE LYS 19 5.412 8.924 1.951
150 HE3 LYS 19 1HE LYS 19 6.639 8.930 0.683
151 HZ1 LYS 19 1HZ LYS 19 5.235 10.419 -0.588
152 HZ2 LYS 19 2HZ LYS 19 5.591 11.089 0.911
153 HZ3 LYS 19 3HZ LYS 19 4.075 10.409 0.624
154 H CYS 20 H CYS 20 3.309 4.052 2.889
155 HA CYS 20 HA CYS 20 2.052 3.370 0.494
156 HB2 CYS 20 2HB CYS 20 2.204 1.899 3.119
157 HB3 CYS 20 1HB CYS 20 1.569 1.198 1.634
158 H ASN 21 H ASN 21 0.699 4.095 3.683
159 HA ASN 21 HA ASN 21 -1.919 3.309 2.966
160 HB2 ASN 21 2HB ASN 21 -1.124 3.492 5.325
161 HB3 ASN 21 1HB ASN 21 -1.148 5.246 5.152
162 HD21 ASN 21 1HD2 ASN 21 -3.158 6.322 5.063
163 HD22 ASN 21 2HD2 ASN 21 -4.613 5.525 5.455
164 H HIS 22 H HIS 22 -0.425 6.555 3.243
165 HA HIS 22 HA HIS 22 -2.743 7.854 2.314
166 HB2 HIS 22 2HB HIS 22 0.096 8.787 2.590
167 HB3 HIS 22 1HB HIS 22 -1.143 9.812 1.877
168 HD1 HIS 22 1HD HIS 22 -3.065 10.629 3.492
169 HD2 HIS 22 2HD HIS 22 0.030 8.535 5.314
170 HE1 HIS 22 1HE HIS 22 -3.256 11.125 5.970
171 H TRP 23 H TRP 23 -0.043 6.451 0.597
172 HA TRP 23 HA TRP 23 -0.802 7.602 -1.881
173 HB2 TRP 23 2HB TRP 23 1.442 6.632 -1.612
174 HB3 TRP 23 1HB TRP 23 0.739 5.047 -1.318
175 HD1 TRP 23 HD TRP 23 -0.174 3.690 -3.448
176 HE1 TRP 23 1HE TRP 23 0.243 3.955 -5.980
177 HE3 TRP 23 3HE TRP 23 1.841 8.385 -3.471
178 HZ2 TRP 23 2HZ TRP 23 1.282 5.871 -7.737
179 HZ3 TRP 23 3HZ TRP 23 2.516 9.356 -5.627
180 HH2 TRP 23 HH TRP 23 2.241 8.121 -7.712
181 H CYS 24 H CYS 24 -1.216 4.304 -0.639
182 HA CYS 24 HA CYS 24 -2.848 3.710 -2.808
183 HB2 CYS 24 2HB CYS 24 -2.114 2.154 -0.380
184 HB3 CYS 24 1HB CYS 24 -3.232 1.497 -1.568
185 H MET 25 H MET 25 -3.884 4.947 0.349
186 HA MET 25 HA MET 25 -6.522 3.818 -0.117
187 HB2 MET 25 2HB MET 25 -5.644 3.913 2.201
188 HB3 MET 25 1HB MET 25 -5.550 5.663 2.088
189 HG2 MET 25 2HG MET 25 -7.988 5.768 1.809
190 HG3 MET 25 1HG MET 25 -8.069 4.015 1.955
191 HE1 MET 25 1HE MET 25 -9.675 5.225 5.305
192 HE2 MET 25 2HE MET 25 -9.870 4.211 3.877
193 HE3 MET 25 3HE MET 25 -9.828 5.967 3.712
194 H GLU 26 H GLU 26 -4.790 6.781 -0.357
195 HA GLU 26 HA GLU 26 -7.194 8.243 -0.903
196 HB2 GLU 26 2HB GLU 26 -4.325 9.045 -0.685
197 HB3 GLU 26 1HB GLU 26 -5.594 10.161 -1.124
198 HG2 GLU 26 2HG GLU 26 -6.720 9.472 1.078
199 HG3 GLU 26 1HG GLU 26 -5.182 8.713 1.482
200 H LYS 27 H LYS 27 -4.505 6.903 -2.688
201 HA LYS 27 HA LYS 27 -5.444 8.175 -5.135
202 HB2 LYS 27 2HB LYS 27 -3.117 8.383 -4.908
203 HB3 LYS 27 1HB LYS 27 -2.930 6.727 -4.370
204 HG2 LYS 27 2HG LYS 27 -2.028 6.958 -6.567
205 HG3 LYS 27 1HG LYS 27 -3.473 5.958 -6.638
206 HD2 LYS 27 2HD LYS 27 -4.743 7.946 -7.384
207 HD3 LYS 27 1HD LYS 27 -3.233 8.860 -7.431
208 HE2 LYS 27 2HE LYS 27 -3.997 6.446 -9.063
209 HE3 LYS 27 1HE LYS 27 -3.646 8.074 -9.641
210 HZ1 LYS 27 1HZ LYS 27 -1.769 6.649 -10.037
211 HZ2 LYS 27 2HZ LYS 27 -1.731 6.163 -8.443
212 HZ3 LYS 27 3HZ LYS 27 -1.331 7.754 -8.841
213 H GLU 28 H GLU 28 -4.825 4.841 -3.900
214 HA GLU 28 HA GLU 28 -5.856 3.791 -6.413
215 HB2 GLU 28 2HB GLU 28 -4.712 2.405 -3.991
216 HB3 GLU 28 1HB GLU 28 -5.061 1.661 -5.541
217 HG2 GLU 28 2HG GLU 28 -3.006 3.822 -5.090
218 HG3 GLU 28 1HG GLU 28 -2.656 2.098 -5.168
219 H ASP 29 H ASP 29 -6.943 4.789 -3.504
220 HA ASP 29 HA ASP 29 -8.685 4.533 -2.141
221 HB2 ASP 29 2HB ASP 29 -9.950 5.028 -4.245
222 HB3 ASP 29 1HB ASP 29 -10.084 3.300 -4.543
223 H ALA 30 H ALA 30 -6.732 2.622 -2.168
224 HA ALA 30 HA ALA 30 -7.757 -0.005 -1.803
225 HB1 ALA 30 1HB ALA 30 -5.375 0.401 -2.245
226 HB2 ALA 30 2HB ALA 30 -5.593 -0.456 -0.720
227 HB3 ALA 30 3HB ALA 30 -5.242 1.273 -0.718
228 H LYS 31 H LYS 31 -7.710 -1.046 0.313
229 HA LYS 31 HA LYS 31 -9.348 0.339 2.182
230 HB2 LYS 31 2HB LYS 31 -7.735 -2.184 2.586
231 HB3 LYS 31 1HB LYS 31 -8.947 -1.556 3.693
232 HG2 LYS 31 2HG LYS 31 -10.657 -1.847 1.941
233 HG3 LYS 31 1HG LYS 31 -9.419 -2.526 0.888
234 HD2 LYS 31 2HD LYS 31 -10.742 -4.277 1.982
235 HD3 LYS 31 1HD LYS 31 -9.046 -4.351 2.450
236 HE2 LYS 31 2HE LYS 31 -10.547 -4.701 4.354
237 HE3 LYS 31 1HE LYS 31 -9.545 -3.257 4.511
238 HZ1 LYS 31 1HZ LYS 31 -11.466 -1.906 3.862
239 HZ2 LYS 31 2HZ LYS 31 -11.813 -2.825 5.208
240 HZ3 LYS 31 3HZ LYS 31 -12.423 -3.283 3.713
241 H TYR 32 H TYR 32 -5.965 -0.599 2.142
242 HA TYR 32 HA TYR 32 -5.078 1.698 3.416
243 HB2 TYR 32 2HB TYR 32 -4.193 0.652 5.507
244 HB3 TYR 32 1HB TYR 32 -5.945 0.802 5.489
245 HD1 TYR 32 1HD TYR 32 -7.339 -1.291 5.304
246 HD2 TYR 32 2HD TYR 32 -3.089 -1.440 5.643
247 HE1 TYR 32 1HE TYR 32 -7.475 -3.627 5.981
248 HE2 TYR 32 2HE TYR 32 -3.228 -3.786 6.304
249 HH TYR 32 HH TYR 32 -4.775 -5.325 7.236
250 H GLY 33 H GLY 33 -2.694 1.455 3.945
251 HA2 GLY 33 2HA GLY 33 -1.478 -0.635 2.295
252 HA3 GLY 33 1HA GLY 33 -0.979 1.053 2.131
253 H SER 34 H SER 34 0.457 -1.431 3.105
254 HA SER 34 HA SER 34 1.472 -0.195 5.515
255 HB2 SER 34 2HB SER 34 0.550 -3.081 5.384
256 HB3 SER 34 1HB SER 34 1.420 -2.345 6.732
257 HG SER 34 HG SER 34 -0.643 -0.795 6.134
258 H CYS 35 H CYS 35 3.535 -1.449 6.221
259 HA CYS 35 HA CYS 35 5.003 -2.005 3.753
260 HB2 CYS 35 2HB CYS 35 5.602 0.032 5.223
261 HB3 CYS 35 1HB CYS 35 6.179 -1.142 6.398
262 H SER 36 H SER 36 5.939 -3.970 3.584
263 HA SER 36 HA SER 36 6.097 -5.646 5.974
264 HB2 SER 36 2HB SER 36 4.058 -6.278 4.731
265 HB3 SER 36 1HB SER 36 5.009 -6.476 3.263
266 HG SER 36 HG SER 36 4.556 -8.446 4.392
267 H HIS 37 H HIS 37 8.200 -5.947 6.232
268 HA HIS 37 HA HIS 37 10.358 -6.590 5.904
269 HB2 HIS 37 2HB HIS 37 9.345 -7.634 3.239
270 HB3 HIS 37 1HB HIS 37 10.985 -7.866 3.814
271 HD1 HIS 37 1HD HIS 37 11.380 -9.908 5.244
272 HD2 HIS 37 2HD HIS 37 7.349 -8.983 4.833
273 HE1 HIS 37 1HE HIS 37 10.122 -11.853 6.228
274 H GLY 38 H GLY 38 9.233 -3.981 4.918
275 HA2 GLY 38 2HA GLY 38 10.368 -2.096 4.159
276 HA3 GLY 38 1HA GLY 38 11.629 -3.141 3.507
277 H ASP 39 H ASP 39 8.709 -4.378 2.583
278 HA ASP 39 HA ASP 39 8.774 -2.914 0.057
279 HB2 ASP 39 2HB ASP 39 7.940 -5.750 0.647
280 HB3 ASP 39 1HB ASP 39 7.517 -4.942 -0.853
281 H CYS 40 H CYS 40 6.907 -2.184 -0.820
282 HA CYS 40 HA CYS 40 4.970 -1.490 1.206
283 HB2 CYS 40 2HB CYS 40 5.994 0.233 -0.250
284 HB3 CYS 40 1HB CYS 40 5.221 -0.515 -1.641
285 H TYR 41 H TYR 41 3.130 -2.522 1.475
286 HA TYR 41 HA TYR 41 1.952 -3.960 -0.786
287 HB2 TYR 41 2HB TYR 41 2.185 -4.764 2.104
288 HB3 TYR 41 1HB TYR 41 0.923 -5.423 1.081
289 HD1 TYR 41 1HD TYR 41 1.350 -7.256 -0.287
290 HD2 TYR 41 2HD TYR 41 4.665 -5.109 1.323
291 HE1 TYR 41 1HE TYR 41 2.866 -8.975 -1.119
292 HE2 TYR 41 2HE TYR 41 6.172 -6.819 0.498
293 HH TYR 41 HH TYR 41 6.135 -9.151 -0.152
294 H CYS 42 H CYS 42 0.020 -3.334 -1.324
295 HA CYS 42 HA CYS 42 -1.448 -1.661 0.565
296 HB2 CYS 42 2HB CYS 42 -1.561 -1.698 -2.458
297 HB3 CYS 42 1HB CYS 42 -2.514 -0.644 -1.411
298 H TYR 43 H TYR 43 -3.444 -2.256 1.137
299 HA TYR 43 HA TYR 43 -4.225 -4.898 0.211
300 HB2 TYR 43 2HB TYR 43 -4.760 -3.444 2.786
301 HB3 TYR 43 1HB TYR 43 -5.525 -4.970 2.348
302 HD1 TYR 43 1HD TYR 43 -2.408 -3.351 3.395
303 HD2 TYR 43 2HD TYR 43 -4.229 -7.027 2.281
304 HE1 TYR 43 1HE TYR 43 -0.498 -4.568 4.313
305 HE2 TYR 43 2HE TYR 43 -2.324 -8.256 3.205
306 HH TYR 43 HH TYR 43 -0.075 -6.770 5.224
307 H TYR 44 H TYR 44 -5.978 -5.197 -0.798
308 HA TYR 44 HA TYR 44 -7.958 -3.033 -0.976
309 HB2 TYR 44 2HB TYR 44 -7.228 -5.140 -3.023
310 HB3 TYR 44 1HB TYR 44 -8.556 -3.999 -3.189
311 HD1 TYR 44 1HD TYR 44 -8.122 -1.658 -3.626
312 HD2 TYR 44 2HD TYR 44 -4.940 -4.446 -3.296
313 HE1 TYR 44 1HE TYR 44 -6.609 -0.030 -4.619
314 HE2 TYR 44 2HE TYR 44 -3.411 -2.833 -4.293
315 HH TYR 44 HH TYR 44 -3.572 -0.816 -5.835
316 H HIS 45 H HIS 45 -10.107 -3.689 -1.021
317 HA HIS 45 HA HIS 45 -10.751 -6.039 0.453
318 HB2 HIS 45 2HB HIS 45 -12.066 -3.830 0.364
319 HB3 HIS 45 1HB HIS 45 -12.641 -4.352 -1.206
320 HD1 HIS 45 1HD HIS 45 -14.952 -5.253 -1.007
321 HD2 HIS 45 2HD HIS 45 -12.639 -6.131 2.329
322 HE1 HIS 45 1HE HIS 45 -16.477 -6.462 0.600
323 H CYS 46 H CYS 46 -10.417 -7.929 -0.422
324 HA CYS 46 HA CYS 46 -9.760 -8.852 -2.772
325 HB2 CYS 46 2HB CYS 46 -11.674 -10.238 -0.922
326 HB3 CYS 46 1HB CYS 46 -10.642 -11.010 -2.124
Start of MODEL 19
1 H1 ALA 1 H ALA 1 -14.724 -7.215 5.582
2 HA ALA 1 HA ALA 1 -14.263 -8.806 3.372
3 HB1 ALA 1 1HB ALA 1 -13.106 -6.912 2.408
4 HB2 ALA 1 2HB ALA 1 -12.860 -6.220 4.003
5 HB3 ALA 1 3HB ALA 1 -14.493 -6.340 3.339
6 H LYS 2 H LYS 2 -12.371 -9.499 2.329
7 HA LYS 2 HA LYS 2 -10.387 -10.479 4.190
8 HB2 LYS 2 2HB LYS 2 -11.422 -12.022 2.554
9 HB3 LYS 2 1HB LYS 2 -10.796 -11.035 1.242
10 HG2 LYS 2 2HG LYS 2 -8.510 -11.539 1.975
11 HG3 LYS 2 1HG LYS 2 -9.163 -12.555 3.260
12 HD2 LYS 2 2HD LYS 2 -10.222 -13.985 1.572
13 HD3 LYS 2 1HD LYS 2 -9.522 -12.981 0.296
14 HE2 LYS 2 2HE LYS 2 -7.278 -13.507 1.163
15 HE3 LYS 2 1HE LYS 2 -8.010 -14.549 2.373
16 HZ1 LYS 2 1HZ LYS 2 -8.877 -15.948 0.576
17 HZ2 LYS 2 2HZ LYS 2 -7.219 -15.823 0.519
18 HZ3 LYS 2 3HZ LYS 2 -8.144 -14.948 -0.569
19 H HIS 3 H HIS 3 -8.652 -9.254 4.527
20 HA HIS 3 HA HIS 3 -7.943 -7.134 2.759
21 HB2 HIS 3 2HB HIS 3 -6.049 -6.719 4.275
22 HB3 HIS 3 1HB HIS 3 -7.554 -6.850 5.177
23 HD1 HIS 3 1HD HIS 3 -7.752 -9.034 6.750
24 HD2 HIS 3 2HD HIS 3 -4.077 -8.508 4.887
25 HE1 HIS 3 1HE HIS 3 -6.161 -10.590 7.904
26 H CYS 4 H CYS 4 -6.610 -7.163 1.113
27 HA CYS 4 HA CYS 4 -4.837 -9.472 0.826
28 HB2 CYS 4 2HB CYS 4 -6.481 -8.126 -1.322
29 HB3 CYS 4 1HB CYS 4 -5.358 -9.449 -1.595
30 H GLY 5 H GLY 5 -2.766 -8.812 0.788
31 HA2 GLY 5 2HA GLY 5 -2.126 -6.043 0.217
32 HA3 GLY 5 1HA GLY 5 -1.033 -7.280 0.828
33 H LYS 6 H LYS 6 -1.928 -5.506 -1.819
34 HA LYS 6 HA LYS 6 -1.253 -7.420 -3.867
35 HB2 LYS 6 2HB LYS 6 -2.914 -5.530 -4.066
36 HB3 LYS 6 1HB LYS 6 -1.548 -4.427 -4.080
37 HG2 LYS 6 2HG LYS 6 -0.726 -5.607 -6.121
38 HG3 LYS 6 1HG LYS 6 -2.235 -6.525 -6.124
39 HD2 LYS 6 2HD LYS 6 -3.458 -4.335 -6.137
40 HD3 LYS 6 1HD LYS 6 -1.904 -3.544 -6.377
41 HE2 LYS 6 2HE LYS 6 -2.942 -3.791 -8.508
42 HE3 LYS 6 1HE LYS 6 -1.593 -4.921 -8.419
43 HZ1 LYS 6 1HZ LYS 6 -4.444 -5.630 -7.986
44 HZ2 LYS 6 2HZ LYS 6 -3.161 -6.725 -8.007
45 HZ3 LYS 6 3HZ LYS 6 -3.583 -5.887 -9.393
46 H HIS 7 H HIS 7 0.642 -7.297 -5.198
47 HA HIS 7 HA HIS 7 2.997 -6.693 -3.913
48 HB2 HIS 7 2HB HIS 7 4.062 -7.276 -5.990
49 HB3 HIS 7 1HB HIS 7 2.755 -8.397 -5.687
50 HD1 HIS 7 1HD HIS 7 0.796 -8.420 -7.454
51 HD2 HIS 7 2HD HIS 7 3.765 -5.611 -8.196
52 HE1 HIS 7 1HE HIS 7 0.396 -7.587 -9.781
53 H SER 8 H SER 8 4.592 -5.193 -4.509
54 HA SER 8 HA SER 8 3.506 -2.570 -4.633
55 HB2 SER 8 2HB SER 8 6.395 -3.379 -4.467
56 HB3 SER 8 1HB SER 8 5.644 -1.880 -3.907
57 HG SER 8 HG SER 8 4.520 -3.050 -2.364
58 H LYS 9 H LYS 9 2.787 -2.984 -7.007
59 HA LYS 9 HA LYS 9 4.990 -2.363 -8.820
60 HB2 LYS 9 2HB LYS 9 3.409 -2.543 -10.683
61 HB3 LYS 9 1HB LYS 9 3.315 -3.967 -9.669
62 HG2 LYS 9 2HG LYS 9 1.260 -3.162 -8.691
63 HG3 LYS 9 1HG LYS 9 1.383 -1.665 -9.620
64 HD2 LYS 9 2HD LYS 9 1.349 -3.056 -11.704
65 HD3 LYS 9 1HD LYS 9 1.024 -4.459 -10.694
66 HE2 LYS 9 2HE LYS 9 -1.030 -3.580 -11.653
67 HE3 LYS 9 1HE LYS 9 -1.040 -3.417 -9.896
68 HZ1 LYS 9 1HZ LYS 9 -0.438 -1.089 -10.165
69 HZ2 LYS 9 2HZ LYS 9 -1.866 -1.424 -11.002
70 HZ3 LYS 9 3HZ LYS 9 -0.422 -1.268 -11.841
71 H SER 10 H SER 10 3.138 -0.785 -6.780
72 HA SER 10 HA SER 10 3.286 1.798 -8.164
73 HB2 SER 10 2HB SER 10 2.012 1.039 -5.497
74 HB3 SER 10 1HB SER 10 1.791 2.557 -6.370
75 HG SER 10 HG SER 10 0.055 1.463 -7.014
76 H TRP 11 H TRP 11 5.531 0.369 -7.528
77 HA TRP 11 HA TRP 11 6.742 0.240 -5.113
78 HB2 TRP 11 2HB TRP 11 7.582 -0.817 -7.142
79 HB3 TRP 11 1HB TRP 11 8.030 0.749 -7.794
80 HD1 TRP 11 HD TRP 11 9.138 -1.848 -5.219
81 HE1 TRP 11 1HE TRP 11 11.568 -1.381 -4.559
82 HE3 TRP 11 3HE TRP 11 9.785 2.604 -7.638
83 HZ2 TRP 11 2HZ TRP 11 13.523 0.625 -5.011
84 HZ3 TRP 11 3HZ TRP 11 11.972 3.731 -7.469
85 HH2 TRP 11 HH TRP 11 13.791 2.757 -6.187
86 H ASN 12 H ASN 12 7.933 1.438 -3.814
87 HA ASN 12 HA ASN 12 8.749 4.109 -4.565
88 HB2 ASN 12 2HB ASN 12 6.568 4.285 -3.311
89 HB3 ASN 12 1HB ASN 12 7.298 3.412 -1.978
90 HD21 ASN 12 1HD2 ASN 12 9.047 5.901 -3.795
91 HD22 ASN 12 2HD2 ASN 12 9.058 7.045 -2.524
92 H GLY 13 H GLY 13 10.838 4.400 -3.912
93 HA2 GLY 13 2HA GLY 13 12.484 2.293 -3.308
94 HA3 GLY 13 1HA GLY 13 12.900 3.971 -3.023
95 H LYS 14 H LYS 14 11.751 4.823 -1.007
96 HA LYS 14 HA LYS 14 12.299 2.960 1.166
97 HB2 LYS 14 2HB LYS 14 13.257 5.127 1.525
98 HB3 LYS 14 1HB LYS 14 11.732 5.910 1.091
99 HG2 LYS 14 2HG LYS 14 12.211 6.057 3.487
100 HG3 LYS 14 1HG LYS 14 10.728 5.175 3.154
101 HD2 LYS 14 2HD LYS 14 11.971 3.060 3.479
102 HD3 LYS 14 1HD LYS 14 13.410 3.996 3.903
103 HE2 LYS 14 2HE LYS 14 12.279 4.971 5.803
104 HE3 LYS 14 1HE LYS 14 10.763 4.210 5.330
105 HZ1 LYS 14 1HZ LYS 14 11.868 3.043 7.144
106 HZ2 LYS 14 2HZ LYS 14 13.205 2.738 6.171
107 HZ3 LYS 14 3HZ LYS 14 11.700 2.075 5.784
108 H CYS 15 H CYS 15 10.740 2.074 2.274
109 HA CYS 15 HA CYS 15 8.057 2.604 1.404
110 HB2 CYS 15 2HB CYS 15 8.818 0.258 1.856
111 HB3 CYS 15 1HB CYS 15 8.942 0.673 3.563
112 H PHE 16 H PHE 16 7.718 4.617 2.051
113 HA PHE 16 HA PHE 16 7.932 5.447 4.784
114 HB2 PHE 16 2HB PHE 16 6.461 6.634 2.427
115 HB3 PHE 16 1HB PHE 16 6.644 7.417 3.996
116 HD1 PHE 16 1HD PHE 16 8.210 6.645 0.786
117 HD2 PHE 16 2HD PHE 16 8.830 8.258 4.677
118 HE1 PHE 16 1HE PHE 16 10.235 7.737 0.001
119 HE2 PHE 16 2HE PHE 16 10.881 9.349 3.889
120 HZ PHE 16 HZ PHE 16 11.586 9.098 1.558
121 H HIS 17 H HIS 17 6.563 4.768 6.274
122 HA HIS 17 HA HIS 17 4.503 2.965 5.835
123 HB2 HIS 17 2HB HIS 17 4.845 4.740 8.262
124 HB3 HIS 17 1HB HIS 17 3.850 3.300 8.184
125 HD1 HIS 17 1HD HIS 17 6.948 4.289 9.534
126 HD2 HIS 17 2HD HIS 17 5.705 1.014 7.304
127 HE1 HIS 17 1HE HIS 17 8.614 2.481 9.984
128 H LYS 18 H LYS 18 3.920 6.192 7.204
129 HA LYS 18 HA LYS 18 1.139 6.000 6.706
130 HB2 LYS 18 2HB LYS 18 2.152 7.314 8.561
131 HB3 LYS 18 1HB LYS 18 2.754 8.460 7.376
132 HG2 LYS 18 2HG LYS 18 0.441 8.980 6.726
133 HG3 LYS 18 1HG LYS 18 -0.141 7.863 7.960
134 HD2 LYS 18 2HD LYS 18 1.001 9.220 9.677
135 HD3 LYS 18 1HD LYS 18 1.497 10.356 8.426
136 HE2 LYS 18 2HE LYS 18 -1.336 9.699 9.256
137 HE3 LYS 18 1HE LYS 18 -0.467 11.193 9.585
138 HZ1 LYS 18 1HZ LYS 18 -1.333 10.201 6.914
139 HZ2 LYS 18 2HZ LYS 18 -0.410 11.593 7.146
140 HZ3 LYS 18 3HZ LYS 18 -1.964 11.503 7.763
141 H LYS 19 H LYS 19 3.781 7.483 5.005
142 HA LYS 19 HA LYS 19 2.281 9.098 3.250
143 HB2 LYS 19 2HB LYS 19 4.660 9.458 3.635
144 HB3 LYS 19 1HB LYS 19 5.015 7.894 2.928
145 HG2 LYS 19 2HG LYS 19 5.571 9.649 1.375
146 HG3 LYS 19 1HG LYS 19 4.217 8.708 0.756
147 HD2 LYS 19 2HD LYS 19 2.663 10.438 1.479
148 HD3 LYS 19 1HD LYS 19 3.997 11.364 2.173
149 HE2 LYS 19 2HE LYS 19 5.006 11.577 -0.032
150 HE3 LYS 19 1HE LYS 19 3.695 10.635 -0.737
151 HZ1 LYS 19 1HZ LYS 19 3.378 13.272 0.609
152 HZ2 LYS 19 2HZ LYS 19 2.155 12.364 -0.115
153 HZ3 LYS 19 3HZ LYS 19 3.390 12.994 -1.052
154 H CYS 20 H CYS 20 3.655 5.792 2.770
155 HA CYS 20 HA CYS 20 2.483 5.643 0.175
156 HB2 CYS 20 2HB CYS 20 4.538 4.356 0.828
157 HB3 CYS 20 1HB CYS 20 3.528 3.355 1.865
158 H ASN 21 H ASN 21 1.537 4.760 3.414
159 HA ASN 21 HA ASN 21 -0.707 3.200 2.972
160 HB2 ASN 21 2HB ASN 21 0.097 3.683 5.218
161 HB3 ASN 21 1HB ASN 21 -0.263 5.389 5.010
162 HD21 ASN 21 1HD2 ASN 21 -1.633 5.546 6.686
163 HD22 ASN 21 2HD2 ASN 21 -3.179 4.785 6.759
164 H HIS 22 H HIS 22 -0.557 6.750 3.219
165 HA HIS 22 HA HIS 22 -3.268 7.060 2.410
166 HB2 HIS 22 2HB HIS 22 -1.053 9.093 2.712
167 HB3 HIS 22 1HB HIS 22 -2.687 9.524 2.217
168 HD1 HIS 22 1HD HIS 22 -4.316 10.001 4.123
169 HD2 HIS 22 2HD HIS 22 -0.962 7.875 5.321
170 HE1 HIS 22 1HE HIS 22 -4.508 9.772 6.595
171 H TRP 23 H TRP 23 -0.241 6.990 0.714
172 HA TRP 23 HA TRP 23 -1.036 8.074 -1.734
173 HB2 TRP 23 2HB TRP 23 1.326 7.406 -1.122
174 HB3 TRP 23 1HB TRP 23 0.849 5.727 -1.340
175 HD1 TRP 23 HD TRP 23 0.110 5.046 -3.960
176 HE1 TRP 23 1HE TRP 23 1.029 5.947 -6.189
177 HE3 TRP 23 3HE TRP 23 2.334 9.318 -2.246
178 HZ2 TRP 23 2HZ TRP 23 2.532 8.172 -7.093
179 HZ3 TRP 23 3HZ TRP 23 3.502 10.771 -3.856
180 HH2 TRP 23 HH TRP 23 3.594 10.201 -6.226
181 H CYS 24 H CYS 24 -0.900 4.631 -0.806
182 HA CYS 24 HA CYS 24 -2.419 3.888 -3.027
183 HB2 CYS 24 2HB CYS 24 -1.565 2.384 -0.581
184 HB3 CYS 24 1HB CYS 24 -2.665 1.659 -1.750
185 H MET 25 H MET 25 -3.393 4.552 0.307
186 HA MET 25 HA MET 25 -5.977 3.522 0.131
187 HB2 MET 25 2HB MET 25 -4.985 4.193 2.270
188 HB3 MET 25 1HB MET 25 -5.034 5.877 1.775
189 HG2 MET 25 2HG MET 25 -7.470 5.811 1.730
190 HG3 MET 25 1HG MET 25 -7.438 4.111 2.186
191 HE1 MET 25 1HE MET 25 -9.112 4.633 4.180
192 HE2 MET 25 2HE MET 25 -9.138 6.325 3.691
193 HE3 MET 25 3HE MET 25 -8.848 5.900 5.378
194 H GLU 26 H GLU 26 -4.822 6.744 -0.735
195 HA GLU 26 HA GLU 26 -7.516 7.479 -1.493
196 HB2 GLU 26 2HB GLU 26 -5.996 9.033 -0.249
197 HB3 GLU 26 1HB GLU 26 -4.952 9.083 -1.650
198 HG2 GLU 26 2HG GLU 26 -7.820 9.941 -1.830
199 HG3 GLU 26 1HG GLU 26 -6.588 11.020 -1.199
200 H LYS 27 H LYS 27 -4.335 7.286 -3.120
201 HA LYS 27 HA LYS 27 -5.460 7.929 -5.642
202 HB2 LYS 27 2HB LYS 27 -3.152 8.534 -4.989
203 HB3 LYS 27 1HB LYS 27 -2.720 6.835 -4.997
204 HG2 LYS 27 2HG LYS 27 -1.937 7.877 -7.024
205 HG3 LYS 27 1HG LYS 27 -3.238 6.747 -7.411
206 HD2 LYS 27 2HD LYS 27 -4.828 8.625 -7.483
207 HD3 LYS 27 1HD LYS 27 -3.507 9.730 -7.116
208 HE2 LYS 27 2HE LYS 27 -2.407 9.137 -9.196
209 HE3 LYS 27 1HE LYS 27 -3.688 7.978 -9.554
210 HZ1 LYS 27 1HZ LYS 27 -5.275 9.839 -9.567
211 HZ2 LYS 27 2HZ LYS 27 -4.095 9.997 -10.738
212 HZ3 LYS 27 3HZ LYS 27 -4.001 10.927 -9.334
213 H GLU 28 H GLU 28 -4.486 4.872 -4.107
214 HA GLU 28 HA GLU 28 -4.870 3.483 -6.647
215 HB2 GLU 28 2HB GLU 28 -3.746 2.541 -4.017
216 HB3 GLU 28 1HB GLU 28 -3.838 1.582 -5.481
217 HG2 GLU 28 2HG GLU 28 -2.295 4.153 -5.261
218 HG3 GLU 28 1HG GLU 28 -1.595 2.554 -5.016
219 H ASP 29 H ASP 29 -6.673 4.339 -4.036
220 HA ASP 29 HA ASP 29 -8.729 3.794 -3.233
221 HB2 ASP 29 2HB ASP 29 -9.285 3.350 -5.673
222 HB3 ASP 29 1HB ASP 29 -8.838 1.676 -5.407
223 H ALA 30 H ALA 30 -6.225 2.469 -2.474
224 HA ALA 30 HA ALA 30 -6.961 -0.176 -1.591
225 HB1 ALA 30 1HB ALA 30 -4.593 1.527 -0.814
226 HB2 ALA 30 2HB ALA 30 -4.618 0.337 -2.118
227 HB3 ALA 30 3HB ALA 30 -4.800 -0.185 -0.442
228 H LYS 31 H LYS 31 -6.877 -0.702 0.714
229 HA LYS 31 HA LYS 31 -8.421 1.299 2.114
230 HB2 LYS 31 2HB LYS 31 -7.831 -1.576 2.805
231 HB3 LYS 31 1HB LYS 31 -8.826 -0.502 3.789
232 HG2 LYS 31 2HG LYS 31 -10.340 -0.176 1.884
233 HG3 LYS 31 1HG LYS 31 -9.371 -1.305 0.940
234 HD2 LYS 31 2HD LYS 31 -9.905 -3.089 2.463
235 HD3 LYS 31 1HD LYS 31 -10.777 -1.983 3.519
236 HE2 LYS 31 2HE LYS 31 -11.489 -2.714 0.689
237 HE3 LYS 31 1HE LYS 31 -12.329 -3.220 2.152
238 HZ1 LYS 31 1HZ LYS 31 -12.869 -0.832 2.546
239 HZ2 LYS 31 2HZ LYS 31 -13.523 -1.462 1.147
240 HZ3 LYS 31 3HZ LYS 31 -12.200 -0.453 1.036
241 H TYR 32 H TYR 32 -5.370 -0.383 2.412
242 HA TYR 32 HA TYR 32 -4.277 1.863 3.703
243 HB2 TYR 32 2HB TYR 32 -3.489 0.740 5.766
244 HB3 TYR 32 1HB TYR 32 -5.237 0.853 5.715
245 HD1 TYR 32 1HD TYR 32 -6.594 -1.207 5.402
246 HD2 TYR 32 2HD TYR 32 -2.362 -1.369 5.800
247 HE1 TYR 32 1HE TYR 32 -6.742 -3.598 5.909
248 HE2 TYR 32 2HE TYR 32 -2.494 -3.757 6.301
249 HH TYR 32 HH TYR 32 -4.025 -5.367 7.077
250 H GLY 33 H GLY 33 -2.049 1.813 3.726
251 HA2 GLY 33 2HA GLY 33 -0.882 -0.386 2.151
252 HA3 GLY 33 1HA GLY 33 -0.298 1.282 2.092
253 H SER 34 H SER 34 0.794 -1.476 3.076
254 HA SER 34 HA SER 34 1.882 -0.326 5.512
255 HB2 SER 34 2HB SER 34 -0.001 -1.866 6.122
256 HB3 SER 34 1HB SER 34 0.869 -3.177 5.336
257 HG SER 34 HG SER 34 1.940 -1.609 7.416
258 H CYS 35 H CYS 35 3.953 -0.922 5.931
259 HA CYS 35 HA CYS 35 5.459 -1.884 3.710
260 HB2 CYS 35 2HB CYS 35 6.309 -1.089 6.493
261 HB3 CYS 35 1HB CYS 35 7.407 -1.480 5.172
262 H SER 36 H SER 36 6.106 -3.845 3.357
263 HA SER 36 HA SER 36 6.397 -5.691 5.556
264 HB2 SER 36 2HB SER 36 4.071 -5.928 4.594
265 HB3 SER 36 1HB SER 36 4.815 -6.323 3.052
266 HG SER 36 HG SER 36 4.925 -7.735 5.476
267 H HIS 37 H HIS 37 8.330 -6.515 5.317
268 HA HIS 37 HA HIS 37 10.268 -7.333 4.504
269 HB2 HIS 37 2HB HIS 37 8.765 -7.584 1.882
270 HB3 HIS 37 1HB HIS 37 10.336 -8.304 2.204
271 HD1 HIS 37 1HD HIS 37 6.724 -8.913 2.547
272 HD2 HIS 37 2HD HIS 37 10.235 -10.398 4.187
273 HE1 HIS 37 1HE HIS 37 6.115 -11.116 3.619
274 H GLY 38 H GLY 38 9.362 -4.435 4.116
275 HA2 GLY 38 2HA GLY 38 10.807 -2.619 3.665
276 HA3 GLY 38 1HA GLY 38 11.684 -3.630 2.520
277 H ASP 39 H ASP 39 8.678 -4.366 1.772
278 HA ASP 39 HA ASP 39 8.529 -2.281 -0.275
279 HB2 ASP 39 2HB ASP 39 7.489 -5.086 -0.188
280 HB3 ASP 39 1HB ASP 39 6.916 -3.929 -1.381
281 H CYS 40 H CYS 40 6.434 -1.558 -0.909
282 HA CYS 40 HA CYS 40 4.742 -1.260 1.442
283 HB2 CYS 40 2HB CYS 40 5.473 0.805 0.320
284 HB3 CYS 40 1HB CYS 40 4.721 0.257 -1.174
285 H TYR 41 H TYR 41 3.263 -2.751 1.594
286 HA TYR 41 HA TYR 41 2.046 -3.799 -0.819
287 HB2 TYR 41 2HB TYR 41 2.157 -4.770 2.025
288 HB3 TYR 41 1HB TYR 41 0.950 -5.391 0.904
289 HD1 TYR 41 1HD TYR 41 1.466 -7.173 -0.471
290 HD2 TYR 41 2HD TYR 41 4.669 -4.949 1.248
291 HE1 TYR 41 1HE TYR 41 3.048 -8.782 -1.361
292 HE2 TYR 41 2HE TYR 41 6.261 -6.574 0.381
293 HH TYR 41 HH TYR 41 6.439 -8.697 -0.498
294 H CYS 42 H CYS 42 0.326 -2.918 -1.474
295 HA CYS 42 HA CYS 42 -1.249 -1.304 0.343
296 HB2 CYS 42 2HB CYS 42 -1.396 -1.553 -2.677
297 HB3 CYS 42 1HB CYS 42 -2.197 -0.327 -1.688
298 H TYR 43 H TYR 43 -2.995 -2.087 1.231
299 HA TYR 43 HA TYR 43 -3.895 -4.704 0.389
300 HB2 TYR 43 2HB TYR 43 -4.338 -3.138 2.923
301 HB3 TYR 43 1HB TYR 43 -5.127 -4.671 2.586
302 HD1 TYR 43 1HD TYR 43 -4.085 -6.646 3.256
303 HD2 TYR 43 2HD TYR 43 -1.708 -3.151 2.800
304 HE1 TYR 43 1HE TYR 43 -2.143 -7.845 4.165
305 HE2 TYR 43 2HE TYR 43 0.224 -4.333 3.698
306 HH TYR 43 HH TYR 43 0.765 -6.266 5.075
307 H TYR 44 H TYR 44 -5.634 -5.094 -0.545
308 HA TYR 44 HA TYR 44 -7.844 -3.138 -0.647
309 HB2 TYR 44 2HB TYR 44 -7.066 -5.197 -2.745
310 HB3 TYR 44 1HB TYR 44 -8.379 -4.037 -2.870
311 HD1 TYR 44 1HD TYR 44 -4.795 -4.566 -3.130
312 HD2 TYR 44 2HD TYR 44 -7.895 -1.670 -3.285
313 HE1 TYR 44 1HE TYR 44 -3.250 -2.987 -4.169
314 HE2 TYR 44 2HE TYR 44 -6.355 -0.079 -4.326
315 HH TYR 44 HH TYR 44 -3.400 -0.941 -5.635
316 H HIS 45 H HIS 45 -9.897 -4.577 -1.315
317 HA HIS 45 HA HIS 45 -9.799 -6.911 0.438
318 HB2 HIS 45 2HB HIS 45 -12.223 -6.772 0.614
319 HB3 HIS 45 1HB HIS 45 -11.509 -5.232 1.068
320 HD1 HIS 45 1HD HIS 45 -14.238 -6.587 -0.835
321 HD2 HIS 45 2HD HIS 45 -11.668 -3.357 -1.315
322 HE1 HIS 45 1HE HIS 45 -15.406 -5.004 -2.385
323 H CYS 46 H CYS 46 -10.162 -8.888 -0.338
324 HA CYS 46 HA CYS 46 -10.667 -9.146 -3.183
325 HB2 CYS 46 2HB CYS 46 -9.994 -11.240 -1.098
326 HB3 CYS 46 1HB CYS 46 -10.244 -11.585 -2.804
Start of MODEL 20
1 H1 ALA 1 H ALA 1 -9.482 -14.439 8.017
2 HA ALA 1 HA ALA 1 -9.977 -11.501 7.966
3 HB1 ALA 1 1HB ALA 1 -7.357 -13.002 8.068
4 HB2 ALA 1 2HB ALA 1 -8.107 -12.144 9.416
5 HB3 ALA 1 3HB ALA 1 -7.542 -11.250 8.007
6 H LYS 2 H LYS 2 -9.499 -10.380 6.094
7 HA LYS 2 HA LYS 2 -8.559 -11.929 3.857
8 HB2 LYS 2 2HB LYS 2 -10.334 -10.979 2.363
9 HB3 LYS 2 1HB LYS 2 -10.945 -12.100 3.564
10 HG2 LYS 2 2HG LYS 2 -11.743 -10.207 4.909
11 HG3 LYS 2 1HG LYS 2 -11.127 -9.092 3.689
12 HD2 LYS 2 2HD LYS 2 -12.615 -10.133 2.020
13 HD3 LYS 2 1HD LYS 2 -13.263 -11.187 3.276
14 HE2 LYS 2 2HE LYS 2 -14.046 -9.198 4.513
15 HE3 LYS 2 1HE LYS 2 -13.416 -8.173 3.227
16 HZ1 LYS 2 1HZ LYS 2 -14.949 -9.254 1.691
17 HZ2 LYS 2 2HZ LYS 2 -15.776 -8.529 2.964
18 HZ3 LYS 2 3HZ LYS 2 -15.566 -10.198 2.941
19 H HIS 3 H HIS 3 -6.651 -10.839 4.120
20 HA HIS 3 HA HIS 3 -6.742 -7.962 3.581
21 HB2 HIS 3 2HB HIS 3 -4.476 -9.599 4.759
22 HB3 HIS 3 1HB HIS 3 -4.442 -7.860 4.480
23 HD1 HIS 3 1HD HIS 3 -4.483 -9.721 7.312
24 HD2 HIS 3 2HD HIS 3 -7.256 -7.034 5.784
25 HE1 HIS 3 1HE HIS 3 -5.894 -8.970 9.271
26 H CYS 4 H CYS 4 -6.911 -7.942 1.448
27 HA CYS 4 HA CYS 4 -5.033 -9.486 -0.125
28 HB2 CYS 4 2HB CYS 4 -7.623 -8.119 -0.717
29 HB3 CYS 4 1HB CYS 4 -6.653 -8.706 -2.043
30 H GLY 5 H GLY 5 -3.204 -8.588 -0.662
31 HA2 GLY 5 2HA GLY 5 -2.986 -5.696 -0.630
32 HA3 GLY 5 1HA GLY 5 -1.663 -6.846 -0.598
33 H LYS 6 H LYS 6 -1.918 -4.597 -2.179
34 HA LYS 6 HA LYS 6 -2.643 -4.950 -4.860
35 HB2 LYS 6 2HB LYS 6 -2.053 -2.785 -3.858
36 HB3 LYS 6 1HB LYS 6 -0.396 -3.323 -3.686
37 HG2 LYS 6 2HG LYS 6 -0.509 -1.841 -5.556
38 HG3 LYS 6 1HG LYS 6 -0.257 -3.471 -6.180
39 HD2 LYS 6 2HD LYS 6 -2.645 -3.629 -6.688
40 HD3 LYS 6 1HD LYS 6 -2.892 -2.010 -6.043
41 HE2 LYS 6 2HE LYS 6 -2.784 -1.796 -8.423
42 HE3 LYS 6 1HE LYS 6 -1.279 -1.164 -7.769
43 HZ1 LYS 6 1HZ LYS 6 -1.670 -3.837 -8.992
44 HZ2 LYS 6 2HZ LYS 6 -0.197 -3.282 -8.387
45 HZ3 LYS 6 3HZ LYS 6 -0.918 -2.525 -9.704
46 H HIS 7 H HIS 7 -1.706 -5.973 -6.466
47 HA HIS 7 HA HIS 7 0.751 -7.409 -6.245
48 HB2 HIS 7 2HB HIS 7 -1.103 -7.969 -7.867
49 HB3 HIS 7 1HB HIS 7 -0.755 -6.472 -8.717
50 HD1 HIS 7 1HD HIS 7 0.839 -6.685 -10.613
51 HD2 HIS 7 2HD HIS 7 1.174 -9.786 -7.881
52 HE1 HIS 7 1HE HIS 7 2.484 -8.315 -11.615
53 H SER 8 H SER 8 2.513 -6.157 -5.835
54 HA SER 8 HA SER 8 2.369 -3.438 -6.682
55 HB2 SER 8 2HB SER 8 2.872 -3.986 -4.341
56 HB3 SER 8 1HB SER 8 4.370 -4.757 -4.859
57 HG SER 8 HG SER 8 5.263 -2.902 -5.017
58 H LYS 9 H LYS 9 3.021 -2.960 -8.518
59 HA LYS 9 HA LYS 9 5.358 -4.212 -9.761
60 HB2 LYS 9 2HB LYS 9 3.247 -3.964 -11.056
61 HB3 LYS 9 1HB LYS 9 3.335 -2.229 -10.814
62 HG2 LYS 9 2HG LYS 9 5.450 -2.195 -12.082
63 HG3 LYS 9 1HG LYS 9 5.250 -3.922 -12.392
64 HD2 LYS 9 2HD LYS 9 3.095 -3.458 -13.491
65 HD3 LYS 9 1HD LYS 9 3.342 -1.735 -13.217
66 HE2 LYS 9 2HE LYS 9 3.966 -2.289 -15.485
67 HE3 LYS 9 1HE LYS 9 5.398 -1.836 -14.566
68 HZ1 LYS 9 1HZ LYS 9 5.904 -4.204 -14.296
69 HZ2 LYS 9 2HZ LYS 9 5.847 -3.770 -15.905
70 HZ3 LYS 9 3HZ LYS 9 4.556 -4.615 -15.222
71 H SER 10 H SER 10 4.083 -1.282 -8.392
72 HA SER 10 HA SER 10 6.360 0.268 -9.216
73 HB2 SER 10 2HB SER 10 3.781 1.021 -7.867
74 HB3 SER 10 1HB SER 10 5.022 2.159 -8.388
75 HG SER 10 HG SER 10 4.684 1.572 -10.476
76 H TRP 11 H TRP 11 8.040 -0.135 -7.917
77 HA TRP 11 HA TRP 11 7.719 0.609 -5.101
78 HB2 TRP 11 2HB TRP 11 9.383 -1.658 -6.187
79 HB3 TRP 11 1HB TRP 11 9.830 -0.849 -4.697
80 HD1 TRP 11 HD TRP 11 7.315 -0.737 -3.023
81 HE1 TRP 11 1HE TRP 11 6.062 -2.879 -2.262
82 HE3 TRP 11 3HE TRP 11 9.009 -3.979 -6.585
83 HZ2 TRP 11 2HZ TRP 11 5.874 -5.581 -3.057
84 HZ3 TRP 11 3HZ TRP 11 8.250 -6.318 -6.507
85 HH2 TRP 11 HH TRP 11 6.719 -7.090 -4.778
86 H ASN 12 H ASN 12 8.412 2.667 -5.225
87 HA ASN 12 HA ASN 12 11.175 2.980 -6.088
88 HB2 ASN 12 2HB ASN 12 8.870 4.749 -6.915
89 HB3 ASN 12 1HB ASN 12 10.545 5.279 -6.983
90 HD21 ASN 12 1HD2 ASN 12 11.901 4.422 -8.557
91 HD22 ASN 12 2HD2 ASN 12 11.304 3.494 -9.878
92 H GLY 13 H GLY 13 12.146 3.326 -4.253
93 HA2 GLY 13 2HA GLY 13 12.805 5.209 -2.842
94 HA3 GLY 13 1HA GLY 13 11.089 5.504 -2.587
95 H LYS 14 H LYS 14 11.832 5.445 -0.345
96 HA LYS 14 HA LYS 14 12.327 2.771 0.687
97 HB2 LYS 14 2HB LYS 14 13.762 4.565 1.538
98 HB3 LYS 14 1HB LYS 14 12.356 5.478 2.054
99 HG2 LYS 14 2HG LYS 14 11.849 3.890 3.738
100 HG3 LYS 14 1HG LYS 14 13.058 2.767 3.139
101 HD2 LYS 14 2HD LYS 14 14.807 4.438 3.709
102 HD3 LYS 14 1HD LYS 14 13.546 5.473 4.389
103 HE2 LYS 14 2HE LYS 14 12.960 3.771 5.992
104 HE3 LYS 14 1HE LYS 14 14.132 2.659 5.289
105 HZ1 LYS 14 1HZ LYS 14 14.982 3.658 7.277
106 HZ2 LYS 14 2HZ LYS 14 14.753 5.209 6.690
107 HZ3 LYS 14 3HZ LYS 14 15.888 4.193 5.970
108 H CYS 15 H CYS 15 10.967 1.878 2.383
109 HA CYS 15 HA CYS 15 8.222 2.494 1.795
110 HB2 CYS 15 2HB CYS 15 9.035 0.158 1.804
111 HB3 CYS 15 1HB CYS 15 9.407 0.325 3.515
112 H PHE 16 H PHE 16 7.246 3.993 2.921
113 HA PHE 16 HA PHE 16 7.734 4.160 5.786
114 HB2 PHE 16 2HB PHE 16 6.927 6.292 3.798
115 HB3 PHE 16 1HB PHE 16 6.849 6.525 5.536
116 HD1 PHE 16 1HD PHE 16 8.903 6.710 6.842
117 HD2 PHE 16 2HD PHE 16 9.038 6.330 2.605
118 HE1 PHE 16 1HE PHE 16 11.228 7.521 6.837
119 HE2 PHE 16 2HE PHE 16 11.342 7.149 2.602
120 HZ PHE 16 HZ PHE 16 12.447 7.741 4.717
121 H HIS 17 H HIS 17 6.134 3.325 6.849
122 HA HIS 17 HA HIS 17 3.899 2.140 5.780
123 HB2 HIS 17 2HB HIS 17 3.012 1.973 8.124
124 HB3 HIS 17 1HB HIS 17 4.667 1.426 7.924
125 HD1 HIS 17 1HD HIS 17 2.588 3.996 9.696
126 HD2 HIS 17 2HD HIS 17 6.599 3.002 9.229
127 HE1 HIS 17 1HE HIS 17 3.843 5.318 11.432
128 H LYS 18 H LYS 18 3.838 5.277 7.450
129 HA LYS 18 HA LYS 18 1.042 5.625 7.079
130 HB2 LYS 18 2HB LYS 18 2.173 6.753 8.907
131 HB3 LYS 18 1HB LYS 18 3.208 7.611 7.775
132 HG2 LYS 18 2HG LYS 18 1.259 8.783 6.884
133 HG3 LYS 18 1HG LYS 18 0.235 7.941 8.044
134 HD2 LYS 18 2HD LYS 18 1.396 8.978 9.883
135 HD3 LYS 18 1HD LYS 18 2.550 9.718 8.774
136 HE2 LYS 18 2HE LYS 18 0.772 11.018 7.756
137 HE3 LYS 18 1HE LYS 18 -0.416 10.248 8.806
138 HZ1 LYS 18 1HZ LYS 18 0.270 12.450 9.580
139 HZ2 LYS 18 2HZ LYS 18 1.856 11.889 9.765
140 HZ3 LYS 18 3HZ LYS 18 0.622 11.240 10.699
141 H LYS 19 H LYS 19 3.886 6.635 5.322
142 HA LYS 19 HA LYS 19 2.437 8.381 3.611
143 HB2 LYS 19 2HB LYS 19 5.183 7.202 3.173
144 HB3 LYS 19 1HB LYS 19 4.493 8.558 2.293
145 HG2 LYS 19 2HG LYS 19 4.300 9.760 4.505
146 HG3 LYS 19 1HG LYS 19 5.256 8.460 5.203
147 HD2 LYS 19 2HD LYS 19 6.722 10.294 4.696
148 HD3 LYS 19 1HD LYS 19 7.053 8.997 3.544
149 HE2 LYS 19 2HE LYS 19 5.775 10.122 1.834
150 HE3 LYS 19 1HE LYS 19 5.240 11.343 2.987
151 HZ1 LYS 19 1HZ LYS 19 7.580 12.040 3.197
152 HZ2 LYS 19 2HZ LYS 19 6.980 12.212 1.652
153 HZ3 LYS 19 3HZ LYS 19 8.008 10.936 1.987
154 H CYS 20 H CYS 20 3.393 5.024 3.450
155 HA CYS 20 HA CYS 20 2.432 4.544 0.862
156 HB2 CYS 20 2HB CYS 20 2.764 2.756 3.259
157 HB3 CYS 20 1HB CYS 20 2.090 2.157 1.749
158 H ASN 21 H ASN 21 0.837 4.479 4.020
159 HA ASN 21 HA ASN 21 -1.666 3.578 3.210
160 HB2 ASN 21 2HB ASN 21 -1.115 3.877 5.575
161 HB3 ASN 21 1HB ASN 21 -1.065 5.623 5.356
162 HD21 ASN 21 1HD2 ASN 21 -2.995 6.778 5.301
163 HD22 ASN 21 2HD2 ASN 21 -4.523 6.055 5.595
164 H HIS 22 H HIS 22 -0.479 6.893 3.298
165 HA HIS 22 HA HIS 22 -2.916 7.868 2.214
166 HB2 HIS 22 2HB HIS 22 -0.279 9.249 2.674
167 HB3 HIS 22 1HB HIS 22 -1.680 10.064 1.979
168 HD1 HIS 22 1HD HIS 22 -3.612 10.665 3.576
169 HD2 HIS 22 2HD HIS 22 -0.535 8.528 5.367
170 HE1 HIS 22 1HE HIS 22 -4.101 10.692 6.050
171 H TRP 23 H TRP 23 0.135 6.924 0.802
172 HA TRP 23 HA TRP 23 -0.348 7.963 -1.775
173 HB2 TRP 23 2HB TRP 23 1.875 7.108 -1.110
174 HB3 TRP 23 1HB TRP 23 1.216 5.482 -0.990
175 HD1 TRP 23 HD TRP 23 1.058 4.070 -3.220
176 HE1 TRP 23 1HE TRP 23 1.784 4.496 -5.661
177 HE3 TRP 23 3HE TRP 23 2.120 9.064 -2.900
178 HZ2 TRP 23 2HZ TRP 23 2.685 6.658 -7.228
179 HZ3 TRP 23 3HZ TRP 23 2.912 10.229 -4.914
180 HH2 TRP 23 HH TRP 23 3.189 9.044 -7.034
181 H CYS 24 H CYS 24 -1.035 4.800 -0.347
182 HA CYS 24 HA CYS 24 -2.272 3.693 -2.587
183 HB2 CYS 24 2HB CYS 24 -2.685 3.081 0.339
184 HB3 CYS 24 1HB CYS 24 -3.253 2.076 -0.992
185 H MET 25 H MET 25 -3.636 5.485 0.146
186 HA MET 25 HA MET 25 -6.346 5.248 -0.541
187 HB2 MET 25 2HB MET 25 -5.416 6.102 1.638
188 HB3 MET 25 1HB MET 25 -4.997 7.589 0.810
189 HG2 MET 25 2HG MET 25 -7.037 7.911 2.018
190 HG3 MET 25 1HG MET 25 -7.379 7.939 0.289
191 HE1 MET 25 1HE MET 25 -9.618 7.594 2.531
192 HE2 MET 25 2HE MET 25 -10.616 6.342 1.792
193 HE3 MET 25 3HE MET 25 -9.952 7.642 0.801
194 H GLU 26 H GLU 26 -3.950 7.708 -1.315
195 HA GLU 26 HA GLU 26 -5.664 9.463 -2.721
196 HB2 GLU 26 2HB GLU 26 -3.504 10.033 -1.610
197 HB3 GLU 26 1HB GLU 26 -2.670 9.184 -2.897
198 HG2 GLU 26 2HG GLU 26 -2.560 11.483 -3.399
199 HG3 GLU 26 1HG GLU 26 -3.740 10.779 -4.504
200 H LYS 27 H LYS 27 -3.238 7.096 -3.810
201 HA LYS 27 HA LYS 27 -3.790 7.792 -6.573
202 HB2 LYS 27 2HB LYS 27 -1.704 5.994 -5.381
203 HB3 LYS 27 1HB LYS 27 -1.822 6.432 -7.075
204 HG2 LYS 27 2HG LYS 27 -1.336 8.341 -4.801
205 HG3 LYS 27 1HG LYS 27 -0.111 7.712 -5.902
206 HD2 LYS 27 2HD LYS 27 -1.375 8.732 -7.780
207 HD3 LYS 27 1HD LYS 27 -2.461 9.463 -6.598
208 HE2 LYS 27 2HE LYS 27 -0.618 10.663 -5.593
209 HE3 LYS 27 1HE LYS 27 0.517 9.894 -6.698
210 HZ1 LYS 27 1HZ LYS 27 -0.688 10.965 -8.533
211 HZ2 LYS 27 2HZ LYS 27 0.014 12.069 -7.464
212 HZ3 LYS 27 3HZ LYS 27 -1.648 11.792 -7.409
213 H GLU 28 H GLU 28 -4.105 4.935 -4.481
214 HA GLU 28 HA GLU 28 -4.777 3.385 -6.881
215 HB2 GLU 28 2HB GLU 28 -3.972 2.480 -4.137
216 HB3 GLU 28 1HB GLU 28 -4.355 1.436 -5.497
217 HG2 GLU 28 2HG GLU 28 -2.091 3.409 -5.388
218 HG3 GLU 28 1HG GLU 28 -1.953 1.666 -5.161
219 H ASP 29 H ASP 29 -6.226 4.776 -4.161
220 HA ASP 29 HA ASP 29 -8.197 4.594 -3.073
221 HB2 ASP 29 2HB ASP 29 -9.267 4.845 -5.304
222 HB3 ASP 29 1HB ASP 29 -9.143 3.108 -5.559
223 H ALA 30 H ALA 30 -7.307 3.380 -1.477
224 HA ALA 30 HA ALA 30 -7.889 0.506 -1.589
225 HB1 ALA 30 1HB ALA 30 -5.487 0.870 -1.853
226 HB2 ALA 30 2HB ALA 30 -5.830 0.125 -0.292
227 HB3 ALA 30 3HB ALA 30 -5.459 1.845 -0.386
228 H LYS 31 H LYS 31 -7.671 -0.350 0.775
229 HA LYS 31 HA LYS 31 -9.462 1.241 2.402
230 HB2 LYS 31 2HB LYS 31 -8.179 -1.461 2.855
231 HB3 LYS 31 1HB LYS 31 -9.264 -0.687 3.999
232 HG2 LYS 31 2HG LYS 31 -11.036 -0.725 2.306
233 HG3 LYS 31 1HG LYS 31 -9.942 -1.564 1.206
234 HD2 LYS 31 2HD LYS 31 -9.818 -3.452 2.644
235 HD3 LYS 31 1HD LYS 31 -10.652 -2.605 3.942
236 HE2 LYS 31 2HE LYS 31 -11.816 -3.362 1.274
237 HE3 LYS 31 1HE LYS 31 -12.134 -4.188 2.799
238 HZ1 LYS 31 1HZ LYS 31 -13.933 -2.687 2.292
239 HZ2 LYS 31 2HZ LYS 31 -12.892 -1.391 2.104
240 HZ3 LYS 31 3HZ LYS 31 -13.111 -2.069 3.625
241 H TYR 32 H TYR 32 -6.223 -0.101 2.584
242 HA TYR 32 HA TYR 32 -5.271 2.174 3.967
243 HB2 TYR 32 2HB TYR 32 -4.390 0.929 5.925
244 HB3 TYR 32 1HB TYR 32 -6.147 0.951 5.908
245 HD1 TYR 32 1HD TYR 32 -7.386 -1.136 5.308
246 HD2 TYR 32 2HD TYR 32 -3.162 -1.117 5.820
247 HE1 TYR 32 1HE TYR 32 -7.397 -3.579 5.496
248 HE2 TYR 32 2HE TYR 32 -3.167 -3.541 6.005
249 HH TYR 32 HH TYR 32 -4.767 -5.346 6.600
250 H GLY 33 H GLY 33 -3.061 2.251 3.963
251 HA2 GLY 33 2HA GLY 33 -1.776 0.177 2.326
252 HA3 GLY 33 1HA GLY 33 -1.271 1.876 2.285
253 H SER 34 H SER 34 0.308 -0.426 2.982
254 HA SER 34 HA SER 34 1.123 0.416 5.611
255 HB2 SER 34 2HB SER 34 0.194 -2.405 5.036
256 HB3 SER 34 1HB SER 34 1.005 -1.890 6.515
257 HG SER 34 HG SER 34 -1.009 -0.263 5.924
258 H CYS 35 H CYS 35 3.059 -1.023 6.248
259 HA CYS 35 HA CYS 35 4.704 -1.440 3.859
260 HB2 CYS 35 2HB CYS 35 5.322 0.415 5.532
261 HB3 CYS 35 1HB CYS 35 5.660 -0.888 6.668
262 H SER 36 H SER 36 4.905 -3.492 3.445
263 HA SER 36 HA SER 36 4.654 -5.362 5.667
264 HB2 SER 36 2HB SER 36 4.106 -5.809 2.729
265 HB3 SER 36 1HB SER 36 3.713 -6.884 4.075
266 HG SER 36 HG SER 36 1.842 -5.779 3.683
267 H HIS 37 H HIS 37 6.677 -5.828 6.273
268 HA HIS 37 HA HIS 37 8.703 -6.785 6.321
269 HB2 HIS 37 2HB HIS 37 8.083 -7.707 3.504
270 HB3 HIS 37 1HB HIS 37 9.475 -8.233 4.438
271 HD1 HIS 37 1HD HIS 37 8.967 -9.861 6.478
272 HD2 HIS 37 2HD HIS 37 5.699 -8.938 4.075
273 HE1 HIS 37 1HE HIS 37 7.198 -11.554 7.028
274 H GLY 38 H GLY 38 8.141 -4.098 5.123
275 HA2 GLY 38 2HA GLY 38 9.737 -2.408 4.774
276 HA3 GLY 38 1HA GLY 38 10.883 -3.621 4.199
277 H ASP 39 H ASP 39 7.912 -4.211 2.860
278 HA ASP 39 HA ASP 39 8.576 -2.608 0.508
279 HB2 ASP 39 2HB ASP 39 7.195 -5.278 0.696
280 HB3 ASP 39 1HB ASP 39 7.290 -4.332 -0.788
281 H CYS 40 H CYS 40 7.053 -1.385 -0.333
282 HA CYS 40 HA CYS 40 4.923 -0.631 1.410
283 HB2 CYS 40 2HB CYS 40 6.290 0.946 0.032
284 HB3 CYS 40 1HB CYS 40 5.542 0.273 -1.406
285 H TYR 41 H TYR 41 2.811 -1.283 1.324
286 HA TYR 41 HA TYR 41 1.829 -2.559 -1.099
287 HB2 TYR 41 2HB TYR 41 2.037 -3.837 1.586
288 HB3 TYR 41 1HB TYR 41 0.637 -4.198 0.589
289 HD1 TYR 41 1HD TYR 41 4.288 -4.548 0.888
290 HD2 TYR 41 2HD TYR 41 0.838 -5.494 -1.408
291 HE1 TYR 41 1HE TYR 41 5.570 -6.246 -0.365
292 HE2 TYR 41 2HE TYR 41 2.081 -7.158 -2.640
293 HH TYR 41 HH TYR 41 5.100 -8.322 -1.706
294 H CYS 42 H CYS 42 -0.268 -2.339 -1.483
295 HA CYS 42 HA CYS 42 -1.841 -0.621 0.317
296 HB2 CYS 42 2HB CYS 42 -2.300 -1.276 -2.608
297 HB3 CYS 42 1HB CYS 42 -3.164 -0.085 -1.652
298 H TYR 43 H TYR 43 -3.789 -1.499 1.130
299 HA TYR 43 HA TYR 43 -4.346 -4.214 0.224
300 HB2 TYR 43 2HB TYR 43 -4.635 -3.009 2.971
301 HB3 TYR 43 1HB TYR 43 -5.365 -4.548 2.518
302 HD1 TYR 43 1HD TYR 43 -4.072 -6.518 2.372
303 HD2 TYR 43 2HD TYR 43 -2.136 -2.784 2.958
304 HE1 TYR 43 1HE TYR 43 -1.972 -7.692 2.824
305 HE2 TYR 43 2HE TYR 43 -0.033 -3.921 3.409
306 HH TYR 43 HH TYR 43 0.389 -7.257 2.728
307 H TYR 44 H TYR 44 -6.268 -4.784 -0.366
308 HA TYR 44 HA TYR 44 -8.359 -2.703 -0.477
309 HB2 TYR 44 2HB TYR 44 -7.787 -4.832 -2.543
310 HB3 TYR 44 1HB TYR 44 -8.963 -3.538 -2.668
311 HD1 TYR 44 1HD TYR 44 -8.159 -1.200 -2.967
312 HD2 TYR 44 2HD TYR 44 -5.553 -4.538 -3.108
313 HE1 TYR 44 1HE TYR 44 -6.486 0.168 -4.084
314 HE2 TYR 44 2HE TYR 44 -3.877 -3.204 -4.219
315 HH TYR 44 HH TYR 44 -3.999 0.147 -4.369
316 H HIS 45 H HIS 45 -10.371 -4.023 -1.387
317 HA HIS 45 HA HIS 45 -10.987 -6.107 0.494
318 HB2 HIS 45 2HB HIS 45 -13.241 -6.086 -0.522
319 HB3 HIS 45 1HB HIS 45 -12.752 -4.463 -0.094
320 HD1 HIS 45 1HD HIS 45 -12.913 -2.729 -1.966
321 HD2 HIS 45 2HD HIS 45 -13.104 -6.639 -3.347
322 HE1 HIS 45 1HE HIS 45 -13.551 -2.574 -4.397
323 H CYS 46 H CYS 46 -11.272 -8.231 -0.001
324 HA CYS 46 HA CYS 46 -10.080 -9.256 -2.400
325 HB2 CYS 46 2HB CYS 46 -11.478 -10.695 -0.142
326 HB3 CYS 46 1HB CYS 46 -10.352 -11.379 -1.319