Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
600261 | 2n9z RC | 25922 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA ASP 1 HA ASP 1 -10.616 3.032 6.040
2 HB2 ASP 1 1HB ASP 1 -12.739 1.172 5.399
3 HB3 ASP 1 2HB ASP 1 -11.168 0.405 5.178
4 H CYS 2 H CYS 2 -8.576 2.434 5.400
5 HA CYS 2 HA CYS 2 -8.099 1.379 2.736
6 HB2 CYS 2 2HB CYS 2 -6.679 3.199 2.007
7 HB3 CYS 2 1HB CYS 2 -8.283 3.834 2.363
8 H ALA 3 H ALA 3 -5.711 1.052 2.368
9 HA ALA 3 HA ALA 3 -4.516 0.110 4.873
10 HB1 ALA 3 3HB ALA 3 -4.545 -0.803 2.153
11 HB2 ALA 3 1HB ALA 3 -3.910 -1.615 3.582
12 HB3 ALA 3 2HB ALA 3 -2.877 -0.531 2.653
13 H LYS 4 H LYS 4 -3.266 1.514 5.910
14 HA LYS 4 HA LYS 4 -1.980 3.747 4.646
15 HB2 LYS 4 1HB LYS 4 -1.755 2.573 7.426
16 HB3 LYS 4 2HB LYS 4 -0.944 4.054 6.915
17 HG2 LYS 4 1HG LYS 4 -3.124 5.055 6.342
18 HG3 LYS 4 2HG LYS 4 -3.937 3.575 6.853
19 HD2 LYS 4 1HD LYS 4 -3.073 3.861 9.133
20 HD3 LYS 4 2HD LYS 4 -2.208 5.317 8.634
21 HE2 LYS 4 1HE LYS 4 -4.326 5.922 9.718
22 HE3 LYS 4 2HE LYS 4 -4.364 6.369 8.012
23 HZ1 LYS 4 3HZ LYS 4 -5.420 3.790 9.013
24 HZ2 LYS 4 1HZ LYS 4 -5.675 4.503 7.496
25 HZ3 LYS 4 2HZ LYS 4 -6.382 5.185 8.882
26 H GLU 5 H GLU 5 0.491 4.031 5.476
27 HA GLU 5 HA GLU 5 2.043 2.388 3.839
28 HB2 GLU 5 1HB GLU 5 2.724 4.637 4.608
29 HB3 GLU 5 2HB GLU 5 2.956 3.992 6.234
30 HG2 GLU 5 1HG GLU 5 4.670 2.454 5.414
31 HG3 GLU 5 2HG GLU 5 4.397 2.997 3.759
32 H GLY 6 H GLY 6 2.887 0.431 4.066
33 HA2 GLY 6 1HA GLY 6 3.916 -1.368 5.136
34 HA3 GLY 6 2HA GLY 6 3.518 -0.666 6.686
35 H GLU 7 H GLU 7 0.716 -0.437 5.032
36 HA GLU 7 HA GLU 7 -0.379 -2.779 6.379
37 HB2 GLU 7 1HB GLU 7 -1.761 -0.671 4.707
38 HB3 GLU 7 2HB GLU 7 -2.556 -1.894 5.695
39 HG2 GLU 7 1HG GLU 7 -0.630 0.185 6.766
40 HG3 GLU 7 2HG GLU 7 -2.383 0.309 6.854
41 H VAL 8 H VAL 8 -1.613 -4.414 5.330
42 HA VAL 8 HA VAL 8 -0.422 -5.333 2.928
43 HB VAL 8 HB VAL 8 -2.891 -6.311 4.358
44 HG11 VAL 8 1HG1 VAL 8 -2.350 -8.436 3.107
45 HG12 VAL 8 2HG1 VAL 8 -1.186 -7.516 2.160
46 HG13 VAL 8 3HG1 VAL 8 -2.902 -7.121 2.075
47 HG21 VAL 8 3HG2 VAL 8 -0.054 -7.380 4.398
48 HG22 VAL 8 1HG2 VAL 8 -1.409 -7.921 5.391
49 HG23 VAL 8 2HG2 VAL 8 -0.714 -6.319 5.644
50 H CYS 9 H CYS 9 -0.925 -4.969 0.856
51 HA CYS 9 HA CYS 9 -3.553 -3.671 0.329
52 HB2 CYS 9 2HB CYS 9 -2.388 -2.825 -1.765
53 HB3 CYS 9 1HB CYS 9 -1.844 -2.126 -0.243
54 H SER 10 H SER 10 -3.758 -3.937 -2.333
55 HA SER 10 HA SER 10 -4.371 -5.360 -4.026
56 HB2 SER 10 1HB SER 10 -2.002 -6.128 -3.861
57 HB3 SER 10 2HB SER 10 -2.511 -7.371 -2.731
58 HG SER 10 HG SER 10 -3.216 -8.490 -4.349
59 H TRP 11 H TRP 11 -3.960 -8.375 -2.673
60 HA TRP 11 HA TRP 11 -6.649 -9.066 -2.686
61 HB2 TRP 11 2HB TRP 11 -6.008 -11.092 -1.617
62 HB3 TRP 11 1HB TRP 11 -4.624 -10.613 -2.599
63 HD1 TRP 11 1HD TRP 11 -2.482 -9.620 -1.326
64 HE1 TRP 11 1HE TRP 11 -1.703 -9.847 1.123
65 HE3 TRP 11 3HE TRP 11 -6.796 -11.297 0.811
66 HZ2 TRP 11 2HZ TRP 11 -2.779 -10.650 3.661
67 HZ3 TRP 11 3HZ TRP 11 -6.898 -11.788 3.238
68 HH2 TRP 11 2HH TRP 11 -4.896 -11.465 4.664
69 H GLY 12 H GLY 12 -4.715 -7.555 -0.195
70 HA2 GLY 12 1HA GLY 12 -6.641 -7.942 1.921
71 HA3 GLY 12 2HA GLY 12 -5.225 -6.894 1.973
72 H LYS 13 H LYS 13 -5.356 -4.766 1.085
73 HA LYS 13 HA LYS 13 -8.074 -3.826 0.416
74 HB2 LYS 13 1HB LYS 13 -6.683 -3.294 2.867
75 HB3 LYS 13 2HB LYS 13 -6.827 -1.797 1.953
76 HG2 LYS 13 1HG LYS 13 -8.803 -2.077 3.369
77 HG3 LYS 13 2HG LYS 13 -9.267 -2.226 1.675
78 HD2 LYS 13 1HD LYS 13 -9.791 -4.445 1.875
79 HD3 LYS 13 2HD LYS 13 -8.493 -4.756 3.029
80 HE2 LYS 13 1HE LYS 13 -10.733 -4.963 4.085
81 HE3 LYS 13 2HE LYS 13 -9.786 -3.666 4.812
82 HZ1 LYS 13 3HZ LYS 13 -12.271 -3.515 3.466
83 HZ2 LYS 13 1HZ LYS 13 -11.129 -2.543 2.674
84 HZ3 LYS 13 2HZ LYS 13 -11.445 -2.305 4.326
85 H LYS 14 H LYS 14 -7.645 -1.185 0.097
86 HA LYS 14 HA LYS 14 -5.611 -1.059 -2.037
87 HB2 LYS 14 1HB LYS 14 -7.037 0.946 -2.758
88 HB3 LYS 14 2HB LYS 14 -7.735 -0.651 -3.003
89 HG2 LYS 14 1HG LYS 14 -9.011 -0.430 -0.916
90 HG3 LYS 14 2HG LYS 14 -8.290 1.152 -0.625
91 HD2 LYS 14 1HD LYS 14 -9.333 2.063 -2.615
92 HD3 LYS 14 2HD LYS 14 -9.926 0.467 -3.081
93 HE2 LYS 14 1HE LYS 14 -11.720 1.784 -2.021
94 HE3 LYS 14 2HE LYS 14 -11.306 0.383 -1.030
95 HZ1 LYS 14 3HZ LYS 14 -9.650 2.554 -0.340
96 HZ2 LYS 14 1HZ LYS 14 -10.764 1.721 0.629
97 HZ3 LYS 14 2HZ LYS 14 -11.272 3.059 -0.287
98 H CYS 15 H CYS 15 -3.916 0.136 -1.704
99 HA CYS 15 HA CYS 15 -3.312 1.437 0.659
100 HB2 CYS 15 2HB CYS 15 -1.909 0.795 -1.514
101 HB3 CYS 15 1HB CYS 15 -2.175 2.498 -1.868
102 H CYS 16 H CYS 16 -3.878 3.347 1.529
103 HA CYS 16 HA CYS 16 -5.953 4.915 0.665
104 HB2 CYS 16 2HB CYS 16 -4.077 5.000 2.751
105 HB3 CYS 16 1HB CYS 16 -3.995 6.577 1.972
106 H ASP 17 H ASP 17 -2.517 5.649 0.179
107 HA ASP 17 HA ASP 17 -3.300 7.410 -2.070
108 HB2 ASP 17 1HB ASP 17 -1.001 7.569 -0.127
109 HB3 ASP 17 2HB ASP 17 -1.025 8.474 -1.640
110 H LEU 18 H LEU 18 -3.279 5.699 -3.583
111 HA LEU 18 HA LEU 18 -1.062 3.952 -3.943
112 HB2 LEU 18 1HB LEU 18 -3.355 4.772 -5.737
113 HB3 LEU 18 2HB LEU 18 -2.154 3.571 -6.208
114 HG LEU 18 HG LEU 18 -3.568 3.296 -3.570
115 HD11 LEU 18 1HD1 LEU 18 -5.300 1.926 -4.693
116 HD12 LEU 18 2HD1 LEU 18 -4.624 2.383 -6.261
117 HD13 LEU 18 3HD1 LEU 18 -5.357 3.608 -5.224
118 HD21 LEU 18 3HD2 LEU 18 -3.233 0.868 -4.102
119 HD22 LEU 18 1HD2 LEU 18 -1.714 1.758 -4.025
120 HD23 LEU 18 2HD2 LEU 18 -2.411 1.342 -5.588
121 H ASP 19 H ASP 19 -1.590 7.232 -4.731
122 HA ASP 19 HA ASP 19 0.123 7.363 -7.030
123 HB2 ASP 19 1HB ASP 19 -1.694 9.021 -6.435
124 HB3 ASP 19 2HB ASP 19 -0.623 9.622 -5.171
125 H ASN 20 H ASN 20 0.521 8.024 -3.560
126 HA ASN 20 HA ASN 20 3.370 8.577 -3.982
127 HB2 ASN 20 1HB ASN 20 1.662 8.747 -1.498
128 HB3 ASN 20 2HB ASN 20 3.356 9.194 -1.588
129 HD21 ASN 20 1HD2 ASN 20 0.765 11.989 -2.335
130 HD22 ASN 20 2HD2 ASN 20 0.601 10.686 -1.270
131 H PHE 21 H PHE 21 1.313 6.002 -3.191
132 HA PHE 21 HA PHE 21 3.609 4.428 -2.210
133 HB2 PHE 21 2HB PHE 21 0.748 4.268 -1.242
134 HB3 PHE 21 1HB PHE 21 2.030 3.153 -0.787
135 HD1 PHE 21 1HD PHE 21 1.097 6.760 -0.749
136 HD2 PHE 21 2HD PHE 21 3.529 3.674 0.964
137 HE1 PHE 21 1HE PHE 21 1.795 8.316 1.042
138 HE2 PHE 21 2HE PHE 21 4.233 5.225 2.759
139 HZ PHE 21 HZ PHE 21 3.368 7.550 2.798
140 H TYR 22 H TYR 22 3.573 2.184 -2.763
141 HA TYR 22 HA TYR 22 1.708 1.494 -4.954
142 HB2 TYR 22 2HB TYR 22 3.483 0.520 -6.217
143 HB3 TYR 22 1HB TYR 22 4.050 2.111 -5.730
144 HD1 TYR 22 1HD TYR 22 4.319 -1.520 -5.077
145 HD2 TYR 22 2HD TYR 22 5.826 2.400 -4.176
146 HE1 TYR 22 1HE TYR 22 6.309 -2.502 -4.100
147 HE2 TYR 22 2HE TYR 22 7.805 1.399 -3.167
148 HH TYR 22 HH TYR 22 8.017 -1.708 -2.223
149 H CYS 23 H CYS 23 1.452 -0.822 -5.267
150 HA CYS 23 HA CYS 23 1.622 -2.235 -2.710
151 HB2 CYS 23 2HB CYS 23 -0.603 -1.979 -3.779
152 HB3 CYS 23 1HB CYS 23 -0.027 -2.983 -5.107
153 HA PRO 24 HA PRO 24 5.116 -4.397 -4.778
154 HB2 PRO 24 2HB PRO 24 4.850 -6.102 -2.350
155 HB3 PRO 24 1HB PRO 24 6.284 -5.318 -3.024
156 HG2 PRO 24 2HG PRO 24 5.096 -4.386 -0.850
157 HG3 PRO 24 1HG PRO 24 5.832 -3.315 -2.030
158 HD2 PRO 24 2HD PRO 24 2.947 -3.857 -1.524
159 HD3 PRO 24 1HD PRO 24 3.750 -2.382 -2.077
160 H MET 25 H MET 25 5.541 -6.666 -5.415
161 HA MET 25 HA MET 25 3.010 -8.155 -5.818
162 HB2 MET 25 1HB MET 25 4.081 -7.306 -7.891
163 HB3 MET 25 2HB MET 25 5.531 -8.226 -7.491
164 HG2 MET 25 1HG MET 25 4.254 -10.319 -7.565
165 HG3 MET 25 2HG MET 25 2.774 -9.421 -7.887
166 HE1 MET 25 3HE MET 25 6.327 -10.242 -10.619
167 HE2 MET 25 1HE MET 25 6.165 -10.499 -8.877
168 HE3 MET 25 2HE MET 25 6.523 -8.893 -9.504
169 H GLU 26 H GLU 26 3.175 -9.321 -3.859
170 HA GLU 26 HA GLU 26 4.893 -11.643 -4.031
171 HB2 GLU 26 1HB GLU 26 5.916 -9.519 -2.638
172 HB3 GLU 26 2HB GLU 26 5.073 -10.405 -1.367
173 HG2 GLU 26 1HG GLU 26 6.238 -12.490 -2.103
174 HG3 GLU 26 2HG GLU 26 7.146 -11.530 -3.270
175 H PHE 27 H PHE 27 4.544 -12.674 -1.542
176 HA PHE 27 HA PHE 27 1.917 -13.679 -1.626
177 HB2 PHE 27 2HB PHE 27 3.877 -14.840 -0.588
178 HB3 PHE 27 1HB PHE 27 3.794 -13.693 0.749
179 HD1 PHE 27 1HD PHE 27 1.729 -16.152 -1.157
180 HD2 PHE 27 2HD PHE 27 2.334 -14.100 2.568
181 HE1 PHE 27 1HE PHE 27 -0.037 -17.539 -0.108
182 HE2 PHE 27 2HE PHE 27 0.565 -15.487 3.619
183 HZ PHE 27 HZ PHE 27 -0.620 -17.207 2.279
184 H ILE 28 H ILE 28 3.425 -11.281 0.528
185 HA ILE 28 HA ILE 28 0.735 -10.257 1.156
186 HB ILE 28 HB ILE 28 1.676 -9.815 3.496
187 HG12 ILE 28 1HG1 ILE 28 3.526 -12.081 2.698
188 HG13 ILE 28 2HG1 ILE 28 4.046 -10.400 2.777
189 HG21 ILE 28 1HG2 ILE 28 1.372 -12.460 3.941
190 HG22 ILE 28 2HG2 ILE 28 0.735 -12.363 2.300
191 HG23 ILE 28 3HG2 ILE 28 0.016 -11.390 3.583
192 HD11 ILE 28 3HD1 ILE 28 3.078 -12.156 5.038
193 HD12 ILE 28 1HD1 ILE 28 3.152 -10.401 5.188
194 HD13 ILE 28 2HD1 ILE 28 4.624 -11.322 4.891
195 HA PRO 29 HA PRO 29 3.618 -6.922 -0.409
196 HB2 PRO 29 2HB PRO 29 0.953 -5.969 -1.324
197 HB3 PRO 29 1HB PRO 29 2.491 -6.022 -2.200
198 HG2 PRO 29 2HG PRO 29 0.545 -7.737 -2.730
199 HG3 PRO 29 1HG PRO 29 2.239 -8.269 -2.726
200 HD2 PRO 29 2HD PRO 29 0.114 -8.699 -0.642
201 HD3 PRO 29 1HD PRO 29 1.398 -9.807 -1.184
202 H HIS 30 H HIS 30 3.903 -4.886 0.496
203 HA HIS 30 HA HIS 30 1.781 -3.941 2.328
204 HB2 HIS 30 1HB HIS 30 4.747 -3.923 2.907
205 HB3 HIS 30 2HB HIS 30 3.491 -3.231 3.918
206 HD1 HIS 30 HD1 HIS 30 5.066 -6.479 3.019
207 HD2 HIS 30 HD2 HIS 30 1.732 -5.145 5.137
208 HE1 HIS 30 HE1 HIS 30 4.228 -8.462 4.360
209 H CYS 31 H CYS 31 1.322 -1.808 2.247
210 HA CYS 31 HA CYS 31 1.929 -0.243 0.064
211 HB2 CYS 31 2HB CYS 31 1.103 0.443 2.867
212 HB3 CYS 31 1HB CYS 31 1.450 1.717 1.709
213 H LYS 32 H LYS 32 3.696 0.759 -0.637
214 HA LYS 32 HA LYS 32 5.743 1.558 1.332
215 HB2 LYS 32 1HB LYS 32 6.501 -0.519 0.300
216 HB3 LYS 32 2HB LYS 32 6.215 0.146 -1.287
217 HG2 LYS 32 1HG LYS 32 8.609 0.251 -0.738
218 HG3 LYS 32 2HG LYS 32 7.955 1.875 -0.881
219 HD2 LYS 32 1HD LYS 32 7.881 2.161 1.494
220 HD3 LYS 32 2HD LYS 32 8.176 0.441 1.774
221 HE2 LYS 32 1HE LYS 32 10.430 0.693 0.786
222 HE3 LYS 32 2HE LYS 32 10.120 2.410 0.522
223 HZ1 LYS 32 3HZ LYS 32 10.892 2.719 2.567
224 HZ2 LYS 32 1HZ LYS 32 10.882 1.058 2.914
225 HZ3 LYS 32 2HZ LYS 32 9.474 1.980 3.141
226 H LYS 33 H LYS 33 6.555 3.544 1.047
227 HA LYS 33 HA LYS 33 5.392 5.274 -0.920
228 HB2 LYS 33 1HB LYS 33 6.055 5.925 1.430
229 HB3 LYS 33 2HB LYS 33 7.728 5.886 0.887
230 HG2 LYS 33 1HG LYS 33 7.211 7.527 -0.874
231 HG3 LYS 33 2HG LYS 33 5.536 7.583 -0.334
232 HD2 LYS 33 1HD LYS 33 7.813 8.178 1.555
233 HD3 LYS 33 2HD LYS 33 7.132 9.432 0.522
234 HE2 LYS 33 1HE LYS 33 4.855 8.858 1.484
235 HE3 LYS 33 2HE LYS 33 5.684 7.819 2.644
236 HZ1 LYS 33 3HZ LYS 33 5.934 9.631 3.878
237 HZ2 LYS 33 1HZ LYS 33 5.437 10.659 2.626
238 HZ3 LYS 33 2HZ LYS 33 7.061 10.177 2.731
239 H TYR 34 H TYR 34 6.213 6.015 -2.774
240 HA TYR 34 HA TYR 34 8.994 5.743 -3.465
241 HB2 TYR 34 2HB TYR 34 8.726 4.311 -5.299
242 HB3 TYR 34 1HB TYR 34 7.834 3.559 -3.993
243 HD1 TYR 34 1HD TYR 34 7.585 3.486 -7.181
244 HD2 TYR 34 2HD TYR 34 5.324 5.351 -4.040
245 HE1 TYR 34 1HE TYR 34 5.579 3.533 -8.626
246 HE2 TYR 34 2HE TYR 34 3.344 5.394 -5.473
247 HH TYR 34 HH TYR 34 3.283 5.301 -8.510
248 H LYS 35 H LYS 35 9.488 6.805 -5.464
249 HA LYS 35 HA LYS 35 7.445 8.509 -6.655
250 HB2 LYS 35 1HB LYS 35 8.874 10.554 -6.268
251 HB3 LYS 35 2HB LYS 35 8.064 9.925 -4.835
252 HG2 LYS 35 1HG LYS 35 10.819 8.930 -5.467
253 HG3 LYS 35 2HG LYS 35 10.653 10.550 -4.792
254 HD2 LYS 35 1HD LYS 35 9.307 9.564 -2.912
255 HD3 LYS 35 2HD LYS 35 9.669 7.955 -3.540
256 HE2 LYS 35 1HE LYS 35 12.072 8.380 -3.297
257 HE3 LYS 35 2HE LYS 35 11.732 10.002 -2.686
258 HZ1 LYS 35 3HZ LYS 35 10.744 9.151 -0.774
259 HZ2 LYS 35 1HZ LYS 35 12.109 8.170 -0.989
260 HZ3 LYS 35 2HZ LYS 35 10.572 7.594 -1.429
261 HA PRO 36 HA PRO 36 11.073 7.098 -9.334
262 HB2 PRO 36 2HB PRO 36 9.582 5.617 -11.095
263 HB3 PRO 36 1HB PRO 36 10.319 4.944 -9.628
264 HG2 PRO 36 2HG PRO 36 7.508 5.818 -10.102
265 HG3 PRO 36 1HG PRO 36 8.117 4.395 -9.242
266 HD2 PRO 36 2HD PRO 36 7.248 6.611 -7.925
267 HD3 PRO 36 1HD PRO 36 8.563 5.598 -7.285
268 H TYR 37 H TYR 37 11.589 8.010 -11.338
269 HA TYR 37 HA TYR 37 9.486 9.496 -12.752
270 HB2 TYR 37 2HB TYR 37 11.055 11.443 -12.934
271 HB3 TYR 37 1HB TYR 37 10.476 11.144 -11.294
272 HD1 TYR 37 1HD TYR 37 13.371 10.965 -13.565
273 HD2 TYR 37 2HD TYR 37 11.946 10.191 -9.587
274 HE1 TYR 37 1HE TYR 37 15.708 10.693 -12.779
275 HE2 TYR 37 2HE TYR 37 14.280 9.919 -8.802
276 HH TYR 37 HH TYR 37 16.618 9.201 -10.197
277 H VAL 38 H VAL 38 12.157 7.480 -12.801
278 HA VAL 38 HA VAL 38 12.325 7.711 -15.729
279 HB VAL 38 HB VAL 38 14.243 8.954 -14.853
280 HG11 VAL 38 1HG1 VAL 38 15.568 6.596 -13.696
281 HG12 VAL 38 2HG1 VAL 38 14.161 7.136 -12.780
282 HG13 VAL 38 3HG1 VAL 38 15.491 8.251 -13.093
283 HG21 VAL 38 3HG2 VAL 38 14.299 6.956 -16.736
284 HG22 VAL 38 1HG2 VAL 38 15.607 6.463 -15.660
285 HG23 VAL 38 2HG2 VAL 38 15.638 8.057 -16.415
286 HA PRO 39 HA PRO 39 11.642 3.362 -14.115
287 HB2 PRO 39 2HB PRO 39 10.020 3.347 -16.616
288 HB3 PRO 39 1HB PRO 39 9.609 2.742 -15.000
289 HG2 PRO 39 2HG PRO 39 8.532 4.977 -15.928
290 HG3 PRO 39 1HG PRO 39 9.010 4.831 -14.225
291 HD2 PRO 39 2HD PRO 39 10.418 6.271 -16.460
292 HD3 PRO 39 1HD PRO 39 10.223 6.749 -14.757
293 H VAL 40 H VAL 40 12.676 1.528 -14.857
294 HA VAL 40 HA VAL 40 13.920 1.642 -17.537
295 HB VAL 40 HB VAL 40 15.963 0.642 -16.577
296 HG11 VAL 40 1HG1 VAL 40 16.826 2.667 -15.624
297 HG12 VAL 40 2HG1 VAL 40 15.224 3.170 -15.085
298 HG13 VAL 40 3HG1 VAL 40 15.610 3.152 -16.806
299 HG21 VAL 40 3HG2 VAL 40 14.230 0.552 -14.200
300 HG22 VAL 40 1HG2 VAL 40 15.836 1.203 -13.876
301 HG23 VAL 40 2HG2 VAL 40 15.661 -0.404 -14.582
302 H THR 41 H THR 41 14.470 -0.440 -18.426
303 HA THR 41 HA THR 41 12.439 -2.366 -18.137
304 HB THR 41 HB THR 41 13.623 -2.277 -20.204
305 HG1 THR 41 1HG THR 41 14.870 -4.540 -19.633
306 HG21 THR 41 3HG2 THR 41 16.047 -2.534 -18.440
307 HG22 THR 41 1HG2 THR 41 15.711 -1.336 -19.690
308 HG23 THR 41 2HG2 THR 41 16.125 -2.990 -20.143
309 H THR 42 H THR 42 12.368 -4.357 -17.133
310 HA THR 42 HA THR 42 14.551 -5.521 -15.729
311 HB THR 42 HB THR 42 14.042 -3.528 -14.264
312 HG1 THR 42 1HG THR 42 14.753 -5.816 -13.633
313 HG21 THR 42 3HG2 THR 42 11.445 -4.089 -14.752
314 HG22 THR 42 1HG2 THR 42 11.982 -3.213 -13.319
315 HG23 THR 42 2HG2 THR 42 11.649 -4.941 -13.221
Start of MODEL 2
1 HA ASP 1 HA ASP 1 -10.968 4.633 5.476
2 HB2 ASP 1 1HB ASP 1 -10.084 2.957 7.029
3 HB3 ASP 1 2HB ASP 1 -11.798 3.217 7.338
4 H CYS 2 H CYS 2 -8.695 3.329 5.524
5 HA CYS 2 HA CYS 2 -8.314 1.602 3.236
6 HB2 CYS 2 2HB CYS 2 -6.689 3.140 2.145
7 HB3 CYS 2 1HB CYS 2 -8.349 3.714 2.063
8 H ALA 3 H ALA 3 -5.951 1.106 2.923
9 HA ALA 3 HA ALA 3 -4.740 0.761 5.564
10 HB1 ALA 3 3HB ALA 3 -3.205 -0.437 3.468
11 HB2 ALA 3 1HB ALA 3 -4.909 -0.800 3.196
12 HB3 ALA 3 2HB ALA 3 -4.154 -1.224 4.730
13 H LYS 4 H LYS 4 -3.038 1.906 6.247
14 HA LYS 4 HA LYS 4 -1.890 3.918 4.483
15 HB2 LYS 4 1HB LYS 4 -1.341 3.329 7.404
16 HB3 LYS 4 2HB LYS 4 -0.745 4.721 6.503
17 HG2 LYS 4 1HG LYS 4 -3.064 5.434 6.058
18 HG3 LYS 4 2HG LYS 4 -3.664 4.046 6.968
19 HD2 LYS 4 1HD LYS 4 -2.463 4.868 8.981
20 HD3 LYS 4 2HD LYS 4 -1.942 6.286 8.069
21 HE2 LYS 4 1HE LYS 4 -4.830 5.501 8.556
22 HE3 LYS 4 2HE LYS 4 -3.961 6.758 9.436
23 HZ1 LYS 4 3HZ LYS 4 -3.490 7.697 7.114
24 HZ2 LYS 4 1HZ LYS 4 -5.040 7.918 7.770
25 HZ3 LYS 4 2HZ LYS 4 -4.777 6.711 6.604
26 H GLU 5 H GLU 5 0.687 4.097 5.597
27 HA GLU 5 HA GLU 5 2.154 2.403 3.927
28 HB2 GLU 5 1HB GLU 5 3.003 4.528 4.906
29 HB3 GLU 5 2HB GLU 5 3.125 3.726 6.471
30 HG2 GLU 5 1HG GLU 5 4.651 2.027 5.404
31 HG3 GLU 5 2HG GLU 5 4.614 2.998 3.934
32 H GLY 6 H GLY 6 2.803 0.372 4.084
33 HA2 GLY 6 1HA GLY 6 3.240 -1.706 4.905
34 HA3 GLY 6 2HA GLY 6 3.602 -0.946 6.431
35 H GLU 7 H GLU 7 0.482 -0.739 4.822
36 HA GLU 7 HA GLU 7 -0.680 -2.343 7.027
37 HB2 GLU 7 1HB GLU 7 -1.947 -0.135 5.401
38 HB3 GLU 7 2HB GLU 7 -2.764 -1.081 6.644
39 HG2 GLU 7 1HG GLU 7 -0.268 0.572 7.126
40 HG3 GLU 7 2HG GLU 7 -1.908 1.110 7.485
41 H VAL 8 H VAL 8 0.383 -3.349 4.460
42 HA VAL 8 HA VAL 8 -0.177 -4.891 2.865
43 HB VAL 8 HB VAL 8 -2.504 -5.238 4.747
44 HG11 VAL 8 1HG1 VAL 8 -2.728 -7.452 3.449
45 HG12 VAL 8 2HG1 VAL 8 -1.803 -6.656 2.177
46 HG13 VAL 8 3HG1 VAL 8 -3.364 -5.999 2.676
47 HG21 VAL 8 3HG2 VAL 8 -0.007 -6.855 4.155
48 HG22 VAL 8 1HG2 VAL 8 -1.268 -7.318 5.296
49 HG23 VAL 8 2HG2 VAL 8 -0.290 -5.882 5.599
50 H CYS 9 H CYS 9 -1.075 -4.863 0.828
51 HA CYS 9 HA CYS 9 -3.528 -3.286 0.442
52 HB2 CYS 9 2HB CYS 9 -2.555 -1.940 -1.320
53 HB3 CYS 9 1HB CYS 9 -1.609 -1.734 0.149
54 H SER 10 H SER 10 -3.254 -3.232 -2.405
55 HA SER 10 HA SER 10 -3.745 -4.521 -4.239
56 HB2 SER 10 1HB SER 10 -1.447 -5.450 -3.601
57 HB3 SER 10 2HB SER 10 -2.316 -6.792 -2.864
58 HG SER 10 HG SER 10 -2.475 -7.569 -4.795
59 H TRP 11 H TRP 11 -3.822 -7.617 -3.549
60 HA TRP 11 HA TRP 11 -6.602 -7.889 -3.592
61 HB2 TRP 11 2HB TRP 11 -6.248 -10.222 -3.177
62 HB3 TRP 11 1HB TRP 11 -4.893 -9.667 -4.157
63 HD1 TRP 11 1HD TRP 11 -2.510 -9.466 -2.983
64 HE1 TRP 11 1HE TRP 11 -1.578 -10.461 -0.795
65 HE3 TRP 11 3HE TRP 11 -6.864 -10.914 -0.759
66 HZ2 TRP 11 2HZ TRP 11 -2.557 -11.712 1.587
67 HZ3 TRP 11 3HZ TRP 11 -6.841 -12.006 1.468
68 HH2 TRP 11 2HH TRP 11 -4.694 -12.408 2.641
69 H GLY 12 H GLY 12 -4.355 -7.616 -0.906
70 HA2 GLY 12 1HA GLY 12 -6.093 -8.444 1.166
71 HA3 GLY 12 2HA GLY 12 -4.691 -7.398 1.357
72 H LYS 13 H LYS 13 -5.500 -5.284 -0.328
73 HA LYS 13 HA LYS 13 -8.066 -4.260 0.104
74 HB2 LYS 13 1HB LYS 13 -6.455 -4.214 2.478
75 HB3 LYS 13 2HB LYS 13 -6.708 -2.557 1.928
76 HG2 LYS 13 1HG LYS 13 -9.141 -2.970 1.801
77 HG3 LYS 13 2HG LYS 13 -8.887 -4.623 2.363
78 HD2 LYS 13 1HD LYS 13 -7.795 -3.661 4.428
79 HD3 LYS 13 2HD LYS 13 -8.322 -2.066 3.887
80 HE2 LYS 13 1HE LYS 13 -10.161 -4.427 4.387
81 HE3 LYS 13 2HE LYS 13 -9.927 -3.074 5.494
82 HZ1 LYS 13 3HZ LYS 13 -11.279 -3.140 2.894
83 HZ2 LYS 13 1HZ LYS 13 -10.508 -1.704 3.362
84 HZ3 LYS 13 2HZ LYS 13 -11.739 -2.361 4.333
85 H LYS 14 H LYS 14 -7.886 -1.662 0.158
86 HA LYS 14 HA LYS 14 -6.002 -0.978 -2.003
87 HB2 LYS 14 1HB LYS 14 -8.549 0.376 -1.065
88 HB3 LYS 14 2HB LYS 14 -7.534 0.934 -2.396
89 HG2 LYS 14 1HG LYS 14 -7.902 -1.199 -3.580
90 HG3 LYS 14 2HG LYS 14 -8.910 -1.767 -2.247
91 HD2 LYS 14 1HD LYS 14 -10.477 0.105 -2.629
92 HD3 LYS 14 2HD LYS 14 -9.474 0.669 -3.967
93 HE2 LYS 14 1HE LYS 14 -9.845 -1.459 -5.155
94 HE3 LYS 14 2HE LYS 14 -10.832 -2.042 -3.815
95 HZ1 LYS 14 3HZ LYS 14 -12.508 -0.555 -4.284
96 HZ2 LYS 14 1HZ LYS 14 -11.970 -0.955 -5.841
97 HZ3 LYS 14 2HZ LYS 14 -11.489 0.510 -5.129
98 H CYS 15 H CYS 15 -4.354 0.301 -1.604
99 HA CYS 15 HA CYS 15 -3.754 1.259 0.996
100 HB2 CYS 15 2HB CYS 15 -2.214 0.691 -1.057
101 HB3 CYS 15 1HB CYS 15 -2.484 2.381 -1.471
102 H CYS 16 H CYS 16 -3.651 3.407 1.750
103 HA CYS 16 HA CYS 16 -5.846 5.040 1.176
104 HB2 CYS 16 2HB CYS 16 -3.218 5.623 2.544
105 HB3 CYS 16 1HB CYS 16 -4.568 6.756 2.514
106 H ASP 17 H ASP 17 -2.503 5.207 0.071
107 HA ASP 17 HA ASP 17 -3.381 7.084 -2.033
108 HB2 ASP 17 1HB ASP 17 -1.170 7.390 -0.066
109 HB3 ASP 17 2HB ASP 17 -0.859 7.911 -1.721
110 H LEU 18 H LEU 18 -3.478 5.330 -3.494
111 HA LEU 18 HA LEU 18 -1.354 3.502 -3.895
112 HB2 LEU 18 1HB LEU 18 -3.640 4.405 -5.650
113 HB3 LEU 18 2HB LEU 18 -2.502 3.152 -6.145
114 HG LEU 18 HG LEU 18 -3.970 3.004 -3.503
115 HD11 LEU 18 1HD1 LEU 18 -5.718 3.136 -5.147
116 HD12 LEU 18 2HD1 LEU 18 -5.533 1.433 -4.724
117 HD13 LEU 18 3HD1 LEU 18 -4.855 2.048 -6.232
118 HD21 LEU 18 3HD2 LEU 18 -1.949 1.436 -4.721
119 HD22 LEU 18 1HD2 LEU 18 -3.442 0.516 -4.894
120 HD23 LEU 18 2HD2 LEU 18 -2.902 1.020 -3.296
121 H ASP 19 H ASP 19 -1.783 6.787 -4.792
122 HA ASP 19 HA ASP 19 -0.016 6.772 -7.060
123 HB2 ASP 19 1HB ASP 19 -1.801 8.466 -6.735
124 HB3 ASP 19 2HB ASP 19 -0.916 9.093 -5.345
125 H ASN 20 H ASN 20 0.296 7.846 -3.664
126 HA ASN 20 HA ASN 20 3.131 8.376 -4.041
127 HB2 ASN 20 1HB ASN 20 1.389 8.537 -1.576
128 HB3 ASN 20 2HB ASN 20 3.072 9.030 -1.653
129 HD21 ASN 20 1HD2 ASN 20 0.398 11.718 -2.526
130 HD22 ASN 20 2HD2 ASN 20 0.232 10.423 -1.451
131 H PHE 21 H PHE 21 1.266 5.679 -3.422
132 HA PHE 21 HA PHE 21 3.599 4.297 -2.305
133 HB2 PHE 21 2HB PHE 21 0.737 3.891 -1.426
134 HB3 PHE 21 1HB PHE 21 2.098 2.894 -0.924
135 HD1 PHE 21 1HD PHE 21 0.974 6.449 -1.037
136 HD2 PHE 21 2HD PHE 21 3.359 3.510 1.007
137 HE1 PHE 21 1HE PHE 21 1.423 8.076 0.757
138 HE2 PHE 21 2HE PHE 21 3.808 5.149 2.798
139 HZ PHE 21 HZ PHE 21 2.844 7.433 2.678
140 H TYR 22 H TYR 22 3.655 1.987 -2.732
141 HA TYR 22 HA TYR 22 1.979 1.183 -5.042
142 HB2 TYR 22 2HB TYR 22 3.858 0.295 -6.213
143 HB3 TYR 22 1HB TYR 22 4.302 1.934 -5.736
144 HD1 TYR 22 1HD TYR 22 4.756 -1.663 -4.952
145 HD2 TYR 22 2HD TYR 22 6.008 2.365 -4.162
146 HE1 TYR 22 1HE TYR 22 6.764 -2.492 -3.888
147 HE2 TYR 22 2HE TYR 22 8.010 1.499 -3.033
148 HH TYR 22 HH TYR 22 8.423 -1.874 -2.325
149 H CYS 23 H CYS 23 1.926 -1.143 -5.398
150 HA CYS 23 HA CYS 23 2.038 -2.589 -2.855
151 HB2 CYS 23 2HB CYS 23 0.472 -3.048 -5.383
152 HB3 CYS 23 1HB CYS 23 0.580 -4.243 -4.089
153 HA PRO 24 HA PRO 24 5.820 -4.479 -4.664
154 HB2 PRO 24 2HB PRO 24 5.396 -6.202 -2.262
155 HB3 PRO 24 1HB PRO 24 6.866 -5.387 -2.815
156 HG2 PRO 24 2HG PRO 24 5.487 -4.462 -0.764
157 HG3 PRO 24 1HG PRO 24 6.259 -3.380 -1.916
158 HD2 PRO 24 2HD PRO 24 3.375 -4.050 -1.608
159 HD3 PRO 24 1HD PRO 24 4.143 -2.544 -2.131
160 H MET 25 H MET 25 6.178 -6.349 -5.823
161 HA MET 25 HA MET 25 3.844 -7.949 -6.426
162 HB2 MET 25 1HB MET 25 5.546 -7.149 -8.142
163 HB3 MET 25 2HB MET 25 6.660 -8.336 -7.472
164 HG2 MET 25 1HG MET 25 3.925 -9.277 -8.260
165 HG3 MET 25 2HG MET 25 5.085 -8.930 -9.538
166 HE1 MET 25 3HE MET 25 8.140 -10.833 -8.647
167 HE2 MET 25 1HE MET 25 7.360 -9.442 -9.410
168 HE3 MET 25 2HE MET 25 7.189 -11.049 -10.114
169 H GLU 26 H GLU 26 3.647 -8.871 -4.257
170 HA GLU 26 HA GLU 26 5.144 -11.367 -4.060
171 HB2 GLU 26 1HB GLU 26 4.964 -9.328 -1.830
172 HB3 GLU 26 2HB GLU 26 5.449 -11.008 -1.593
173 HG2 GLU 26 1HG GLU 26 7.308 -10.694 -3.192
174 HG3 GLU 26 2HG GLU 26 6.833 -9.013 -3.411
175 H PHE 27 H PHE 27 4.174 -12.594 -2.050
176 HA PHE 27 HA PHE 27 1.502 -13.202 -2.650
177 HB2 PHE 27 2HB PHE 27 2.967 -14.801 -1.527
178 HB3 PHE 27 1HB PHE 27 3.060 -13.752 -0.113
179 HD1 PHE 27 1HD PHE 27 0.592 -15.549 -2.280
180 HD2 PHE 27 2HD PHE 27 1.472 -13.954 1.609
181 HE1 PHE 27 1HE PHE 27 -1.494 -16.555 -1.396
182 HE2 PHE 27 2HE PHE 27 -0.614 -14.958 2.494
183 HZ PHE 27 HZ PHE 27 -2.099 -16.258 0.991
184 H ILE 28 H ILE 28 2.889 -11.269 -0.010
185 HA ILE 28 HA ILE 28 0.217 -10.072 0.423
186 HB ILE 28 HB ILE 28 1.105 -9.713 2.814
187 HG12 ILE 28 1HG1 ILE 28 2.817 -12.086 2.035
188 HG13 ILE 28 2HG1 ILE 28 3.451 -10.447 2.156
189 HG21 ILE 28 1HG2 ILE 28 0.635 -12.376 3.136
190 HG22 ILE 28 2HG2 ILE 28 -0.015 -12.124 1.515
191 HG23 ILE 28 3HG2 ILE 28 -0.635 -11.182 2.872
192 HD11 ILE 28 3HD1 ILE 28 2.048 -11.932 4.396
193 HD12 ILE 28 1HD1 ILE 28 2.760 -10.322 4.503
194 HD13 ILE 28 2HD1 ILE 28 3.795 -11.730 4.256
195 HA PRO 29 HA PRO 29 3.198 -6.767 -0.981
196 HB2 PRO 29 2HB PRO 29 0.560 -5.585 -1.693
197 HB3 PRO 29 1HB PRO 29 2.048 -5.683 -2.655
198 HG2 PRO 29 2HG PRO 29 -0.036 -7.237 -3.173
199 HG3 PRO 29 1HG PRO 29 1.618 -7.858 -3.320
200 HD2 PRO 29 2HD PRO 29 -0.407 -8.344 -1.160
201 HD3 PRO 29 1HD PRO 29 0.800 -9.454 -1.847
202 H HIS 30 H HIS 30 3.620 -4.784 -0.016
203 HA HIS 30 HA HIS 30 1.705 -3.892 2.056
204 HB2 HIS 30 1HB HIS 30 4.708 -4.019 2.266
205 HB3 HIS 30 2HB HIS 30 3.664 -3.224 3.413
206 HD1 HIS 30 HD1 HIS 30 4.889 -6.562 2.409
207 HD2 HIS 30 HD2 HIS 30 1.878 -5.012 4.844
208 HE1 HIS 30 HE1 HIS 30 4.078 -8.479 3.853
209 H CYS 31 H CYS 31 1.577 -1.664 2.429
210 HA CYS 31 HA CYS 31 1.974 -0.030 0.126
211 HB2 CYS 31 2HB CYS 31 1.159 0.526 2.972
212 HB3 CYS 31 1HB CYS 31 1.339 1.823 1.800
213 H LYS 32 H LYS 32 3.910 0.624 -0.533
214 HA LYS 32 HA LYS 32 5.885 1.517 1.509
215 HB2 LYS 32 1HB LYS 32 6.409 0.356 -1.215
216 HB3 LYS 32 2HB LYS 32 7.645 0.876 -0.077
217 HG2 LYS 32 1HG LYS 32 5.661 -1.379 0.281
218 HG3 LYS 32 2HG LYS 32 7.393 -1.546 0.010
219 HD2 LYS 32 1HD LYS 32 7.601 -0.023 2.143
220 HD3 LYS 32 2HD LYS 32 5.954 -0.570 2.464
221 HE2 LYS 32 1HE LYS 32 6.731 -2.925 2.271
222 HE3 LYS 32 2HE LYS 32 8.377 -2.346 2.043
223 HZ1 LYS 32 3HZ LYS 32 8.175 -2.825 4.316
224 HZ2 LYS 32 1HZ LYS 32 6.663 -2.069 4.438
225 HZ3 LYS 32 2HZ LYS 32 8.062 -1.133 4.212
226 H LYS 33 H LYS 33 7.364 3.200 0.785
227 HA LYS 33 HA LYS 33 5.940 5.200 -0.823
228 HB2 LYS 33 1HB LYS 33 8.294 5.368 1.070
229 HB3 LYS 33 2HB LYS 33 7.650 6.741 0.172
230 HG2 LYS 33 1HG LYS 33 5.477 6.483 1.244
231 HG3 LYS 33 2HG LYS 33 6.024 5.018 2.059
232 HD2 LYS 33 1HD LYS 33 7.731 6.316 3.271
233 HD3 LYS 33 2HD LYS 33 7.198 7.787 2.456
234 HE2 LYS 33 1HE LYS 33 5.002 7.613 3.468
235 HE3 LYS 33 2HE LYS 33 5.408 6.059 4.181
236 HZ1 LYS 33 3HZ LYS 33 5.682 7.674 5.857
237 HZ2 LYS 33 1HZ LYS 33 6.554 8.711 4.835
238 HZ3 LYS 33 2HZ LYS 33 7.251 7.251 5.358
239 H TYR 34 H TYR 34 6.691 3.642 -2.733
240 HA TYR 34 HA TYR 34 8.241 3.126 -4.421
241 HB2 TYR 34 2HB TYR 34 7.974 6.107 -4.268
242 HB3 TYR 34 1HB TYR 34 8.803 5.298 -5.586
243 HD1 TYR 34 1HD TYR 34 5.554 5.718 -3.884
244 HD2 TYR 34 2HD TYR 34 7.633 4.009 -7.236
245 HE1 TYR 34 1HE TYR 34 3.395 5.250 -4.995
246 HE2 TYR 34 2HE TYR 34 5.463 3.539 -8.340
247 HH TYR 34 HH TYR 34 2.378 4.410 -6.771
248 H LYS 35 H LYS 35 10.381 5.031 -5.193
249 HA LYS 35 HA LYS 35 12.315 4.561 -3.024
250 HB2 LYS 35 1HB LYS 35 13.986 4.013 -4.837
251 HB3 LYS 35 2HB LYS 35 12.726 2.802 -4.602
252 HG2 LYS 35 1HG LYS 35 12.151 4.965 -6.567
253 HG3 LYS 35 2HG LYS 35 13.361 3.773 -7.038
254 HD2 LYS 35 1HD LYS 35 11.739 1.957 -6.549
255 HD3 LYS 35 2HD LYS 35 10.523 3.166 -6.136
256 HE2 LYS 35 1HE LYS 35 11.920 3.090 -8.819
257 HE3 LYS 35 2HE LYS 35 10.383 2.280 -8.510
258 HZ1 LYS 35 3HZ LYS 35 10.277 4.925 -7.541
259 HZ2 LYS 35 1HZ LYS 35 9.330 4.197 -8.745
260 HZ3 LYS 35 2HZ LYS 35 10.798 4.948 -9.158
261 HA PRO 36 HA PRO 36 12.347 8.875 -4.923
262 HB2 PRO 36 2HB PRO 36 11.656 10.251 -2.659
263 HB3 PRO 36 1HB PRO 36 10.466 9.640 -3.824
264 HG2 PRO 36 2HG PRO 36 11.317 8.492 -1.209
265 HG3 PRO 36 1HG PRO 36 9.698 8.596 -1.926
266 HD2 PRO 36 2HD PRO 36 11.173 6.298 -1.967
267 HD3 PRO 36 1HD PRO 36 10.004 6.711 -3.241
268 H TYR 37 H TYR 37 14.060 10.305 -4.708
269 HA TYR 37 HA TYR 37 16.082 9.572 -2.680
270 HB2 TYR 37 2HB TYR 37 16.424 10.864 -5.395
271 HB3 TYR 37 1HB TYR 37 17.728 10.513 -4.260
272 HD1 TYR 37 1HD TYR 37 15.117 9.014 -6.408
273 HD2 TYR 37 2HD TYR 37 18.555 8.274 -3.942
274 HE1 TYR 37 1HE TYR 37 15.238 6.698 -7.275
275 HE2 TYR 37 2HE TYR 37 18.675 5.953 -4.808
276 HH TYR 37 HH TYR 37 17.898 4.532 -6.362
277 H VAL 38 H VAL 38 13.783 11.837 -3.258
278 HA VAL 38 HA VAL 38 15.314 13.881 -1.793
279 HB VAL 38 HB VAL 38 14.071 15.623 -3.113
280 HG11 VAL 38 1HG1 VAL 38 15.456 15.254 -5.204
281 HG12 VAL 38 2HG1 VAL 38 15.911 13.684 -4.539
282 HG13 VAL 38 3HG1 VAL 38 16.362 15.164 -3.693
283 HG21 VAL 38 3HG2 VAL 38 12.219 14.226 -3.907
284 HG22 VAL 38 1HG2 VAL 38 13.346 13.192 -4.786
285 HG23 VAL 38 2HG2 VAL 38 13.109 14.866 -5.288
286 HA PRO 39 HA PRO 39 11.796 13.826 0.914
287 HB2 PRO 39 2HB PRO 39 11.967 16.319 2.019
288 HB3 PRO 39 1HB PRO 39 13.073 14.996 2.438
289 HG2 PRO 39 2HG PRO 39 13.481 17.286 0.570
290 HG3 PRO 39 1HG PRO 39 14.598 16.576 1.747
291 HD2 PRO 39 2HD PRO 39 14.744 16.011 -0.914
292 HD3 PRO 39 1HD PRO 39 15.201 14.838 0.338
293 H VAL 40 H VAL 40 9.641 14.500 1.030
294 HA VAL 40 HA VAL 40 8.485 15.617 -1.290
295 HB VAL 40 HB VAL 40 7.382 15.174 1.488
296 HG11 VAL 40 1HG1 VAL 40 5.990 16.874 0.613
297 HG12 VAL 40 2HG1 VAL 40 5.153 15.381 0.188
298 HG13 VAL 40 3HG1 VAL 40 6.101 16.237 -1.028
299 HG21 VAL 40 3HG2 VAL 40 6.299 13.671 -0.775
300 HG22 VAL 40 1HG2 VAL 40 6.925 13.078 0.764
301 HG23 VAL 40 2HG2 VAL 40 8.032 13.412 -0.567
302 H THR 41 H THR 41 9.113 16.995 1.925
303 HA THR 41 HA THR 41 8.036 19.571 1.262
304 HB THR 41 HB THR 41 9.876 18.741 3.521
305 HG1 THR 41 1HG THR 41 7.946 17.673 3.675
306 HG21 THR 41 3HG2 THR 41 9.998 21.118 3.267
307 HG22 THR 41 1HG2 THR 41 8.859 20.819 4.581
308 HG23 THR 41 2HG2 THR 41 8.263 21.240 2.974
309 H THR 42 H THR 42 9.009 21.255 0.312
310 HA THR 42 HA THR 42 11.952 21.259 0.085
311 HB THR 42 HB THR 42 10.162 22.055 -2.207
312 HG1 THR 42 1HG THR 42 10.319 20.029 -2.968
313 HG21 THR 42 3HG2 THR 42 12.235 21.750 -3.488
314 HG22 THR 42 1HG2 THR 42 13.075 21.233 -2.025
315 HG23 THR 42 2HG2 THR 42 12.491 22.892 -2.169
Start of MODEL 3
1 HA ASP 1 HA ASP 1 -10.403 2.175 6.937
2 HB2 ASP 1 1HB ASP 1 -12.658 1.688 4.970
3 HB3 ASP 1 2HB ASP 1 -11.804 0.452 5.891
4 H CYS 2 H CYS 2 -8.402 2.366 6.022
5 HA CYS 2 HA CYS 2 -8.099 1.385 3.307
6 HB2 CYS 2 2HB CYS 2 -6.807 3.276 2.506
7 HB3 CYS 2 1HB CYS 2 -8.404 3.837 3.002
8 H ALA 3 H ALA 3 -5.713 1.207 2.750
9 HA ALA 3 HA ALA 3 -4.312 0.206 5.124
10 HB1 ALA 3 3HB ALA 3 -3.392 -1.323 3.738
11 HB2 ALA 3 1HB ALA 3 -2.972 -0.104 2.537
12 HB3 ALA 3 2HB ALA 3 -4.594 -0.794 2.561
13 H LYS 4 H LYS 4 -2.956 1.525 6.137
14 HA LYS 4 HA LYS 4 -1.925 3.921 4.926
15 HB2 LYS 4 1HB LYS 4 -2.442 3.222 7.491
16 HB3 LYS 4 2HB LYS 4 -0.706 2.923 7.436
17 HG2 LYS 4 1HG LYS 4 -0.757 5.174 8.027
18 HG3 LYS 4 2HG LYS 4 -0.635 5.292 6.272
19 HD2 LYS 4 1HD LYS 4 -3.231 5.282 6.302
20 HD3 LYS 4 2HD LYS 4 -3.065 5.663 8.017
21 HE2 LYS 4 1HE LYS 4 -3.200 7.776 6.947
22 HE3 LYS 4 2HE LYS 4 -1.481 7.548 7.270
23 HZ1 LYS 4 3HZ LYS 4 -1.068 6.983 5.057
24 HZ2 LYS 4 1HZ LYS 4 -2.129 8.302 4.955
25 HZ3 LYS 4 2HZ LYS 4 -2.712 6.725 4.710
26 H GLU 5 H GLU 5 0.650 4.129 5.830
27 HA GLU 5 HA GLU 5 2.123 2.779 3.837
28 HB2 GLU 5 1HB GLU 5 2.846 4.924 4.736
29 HB3 GLU 5 2HB GLU 5 3.080 4.202 6.330
30 HG2 GLU 5 1HG GLU 5 4.852 2.786 5.507
31 HG3 GLU 5 2HG GLU 5 4.523 3.254 3.840
32 H GLY 6 H GLY 6 3.029 0.842 3.784
33 HA2 GLY 6 1HA GLY 6 4.069 -1.097 4.498
34 HA3 GLY 6 2HA GLY 6 4.000 -0.500 6.148
35 H GLU 7 H GLU 7 0.967 -0.173 4.835
36 HA GLU 7 HA GLU 7 0.020 -2.507 6.310
37 HB2 GLU 7 1HB GLU 7 -1.530 -0.321 4.902
38 HB3 GLU 7 2HB GLU 7 -2.213 -1.564 5.949
39 HG2 GLU 7 1HG GLU 7 -0.094 0.413 6.829
40 HG3 GLU 7 2HG GLU 7 -1.818 0.616 7.129
41 H VAL 8 H VAL 8 -1.365 -4.092 5.396
42 HA VAL 8 HA VAL 8 -0.513 -5.101 2.933
43 HB VAL 8 HB VAL 8 -2.991 -5.694 4.553
44 HG11 VAL 8 1HG1 VAL 8 -1.864 -6.992 2.065
45 HG12 VAL 8 2HG1 VAL 8 -3.505 -6.414 2.343
46 HG13 VAL 8 3HG1 VAL 8 -2.927 -7.856 3.174
47 HG21 VAL 8 3HG2 VAL 8 -0.317 -7.097 4.235
48 HG22 VAL 8 1HG2 VAL 8 -1.678 -7.723 5.162
49 HG23 VAL 8 2HG2 VAL 8 -0.877 -6.237 5.669
50 H CYS 9 H CYS 9 -1.174 -4.847 0.848
51 HA CYS 9 HA CYS 9 -3.692 -3.353 0.397
52 HB2 CYS 9 2HB CYS 9 -2.628 -1.959 -1.278
53 HB3 CYS 9 1HB CYS 9 -1.767 -1.785 0.249
54 H SER 10 H SER 10 -3.244 -3.203 -2.432
55 HA SER 10 HA SER 10 -3.616 -4.413 -4.342
56 HB2 SER 10 1HB SER 10 -1.413 -5.439 -3.549
57 HB3 SER 10 2HB SER 10 -2.375 -6.785 -2.958
58 HG SER 10 HG SER 10 -1.805 -5.970 -5.551
59 H TRP 11 H TRP 11 -3.828 -7.531 -3.730
60 HA TRP 11 HA TRP 11 -6.588 -7.743 -4.059
61 HB2 TRP 11 2HB TRP 11 -6.332 -10.082 -3.611
62 HB3 TRP 11 1HB TRP 11 -4.863 -9.561 -4.430
63 HD1 TRP 11 1HD TRP 11 -2.624 -9.411 -2.996
64 HE1 TRP 11 1HE TRP 11 -1.968 -10.417 -0.715
65 HE3 TRP 11 3HE TRP 11 -7.232 -10.748 -1.270
66 HZ2 TRP 11 2HZ TRP 11 -3.235 -11.634 1.546
67 HZ3 TRP 11 3HZ TRP 11 -7.484 -11.830 0.948
68 HH2 TRP 11 2HH TRP 11 -5.494 -12.273 2.355
69 H GLY 12 H GLY 12 -4.643 -7.489 -1.137
70 HA2 GLY 12 1HA GLY 12 -6.617 -8.315 0.714
71 HA3 GLY 12 2HA GLY 12 -5.247 -7.271 1.074
72 H LYS 13 H LYS 13 -5.817 -5.133 -0.646
73 HA LYS 13 HA LYS 13 -8.440 -4.130 -0.495
74 HB2 LYS 13 1HB LYS 13 -7.451 -4.188 2.032
75 HB3 LYS 13 2HB LYS 13 -6.850 -2.619 1.505
76 HG2 LYS 13 1HG LYS 13 -8.954 -2.069 2.363
77 HG3 LYS 13 2HG LYS 13 -9.296 -2.256 0.644
78 HD2 LYS 13 1HD LYS 13 -10.102 -4.542 1.021
79 HD3 LYS 13 2HD LYS 13 -9.675 -4.429 2.729
80 HE2 LYS 13 1HE LYS 13 -11.282 -2.591 3.024
81 HE3 LYS 13 2HE LYS 13 -11.693 -2.665 1.309
82 HZ1 LYS 13 3HZ LYS 13 -12.876 -4.088 3.321
83 HZ2 LYS 13 1HZ LYS 13 -11.865 -5.220 2.564
84 HZ3 LYS 13 2HZ LYS 13 -13.029 -4.384 1.655
85 H LYS 14 H LYS 14 -7.741 -1.393 0.073
86 HA LYS 14 HA LYS 14 -5.927 -0.799 -2.188
87 HB2 LYS 14 1HB LYS 14 -8.473 0.600 -1.330
88 HB3 LYS 14 2HB LYS 14 -7.353 1.215 -2.547
89 HG2 LYS 14 1HG LYS 14 -7.764 -0.625 -4.004
90 HG3 LYS 14 2HG LYS 14 -8.561 -1.546 -2.731
91 HD2 LYS 14 1HD LYS 14 -10.262 -0.658 -4.218
92 HD3 LYS 14 2HD LYS 14 -10.369 0.184 -2.676
93 HE2 LYS 14 1HE LYS 14 -9.200 2.106 -3.567
94 HE3 LYS 14 2HE LYS 14 -8.850 1.251 -5.071
95 HZ1 LYS 14 3HZ LYS 14 -10.740 2.116 -5.818
96 HZ2 LYS 14 1HZ LYS 14 -11.210 2.646 -4.278
97 HZ3 LYS 14 2HZ LYS 14 -11.560 1.059 -4.772
98 H CYS 15 H CYS 15 -4.296 0.528 -1.773
99 HA CYS 15 HA CYS 15 -3.761 1.372 0.906
100 HB2 CYS 15 2HB CYS 15 -2.122 0.747 -1.016
101 HB3 CYS 15 1HB CYS 15 -2.345 2.418 -1.522
102 H CYS 16 H CYS 16 -4.265 3.245 1.875
103 HA CYS 16 HA CYS 16 -6.148 5.020 1.106
104 HB2 CYS 16 2HB CYS 16 -4.184 4.930 3.124
105 HB3 CYS 16 1HB CYS 16 -4.065 6.528 2.390
106 H ASP 17 H ASP 17 -2.801 5.028 0.089
107 HA ASP 17 HA ASP 17 -3.492 7.010 -1.972
108 HB2 ASP 17 1HB ASP 17 -1.194 7.161 -0.029
109 HB3 ASP 17 2HB ASP 17 -1.158 7.997 -1.579
110 H LEU 18 H LEU 18 -3.383 5.665 -3.694
111 HA LEU 18 HA LEU 18 -1.244 3.721 -3.944
112 HB2 LEU 18 1HB LEU 18 -3.574 4.506 -5.704
113 HB3 LEU 18 2HB LEU 18 -2.383 3.299 -6.186
114 HG LEU 18 HG LEU 18 -3.815 3.101 -3.532
115 HD11 LEU 18 1HD1 LEU 18 -5.419 1.570 -4.662
116 HD12 LEU 18 2HD1 LEU 18 -4.726 2.032 -6.218
117 HD13 LEU 18 3HD1 LEU 18 -5.563 3.233 -5.233
118 HD21 LEU 18 3HD2 LEU 18 -2.761 1.099 -3.376
119 HD22 LEU 18 1HD2 LEU 18 -1.758 1.619 -4.730
120 HD23 LEU 18 2HD2 LEU 18 -3.207 0.660 -5.020
121 H ASP 19 H ASP 19 -1.655 6.995 -4.631
122 HA ASP 19 HA ASP 19 0.075 7.036 -6.972
123 HB2 ASP 19 1HB ASP 19 -0.241 9.465 -6.878
124 HB3 ASP 19 2HB ASP 19 -1.791 8.629 -6.792
125 H ASN 20 H ASN 20 0.368 7.234 -3.549
126 HA ASN 20 HA ASN 20 3.125 8.272 -3.792
127 HB2 ASN 20 1HB ASN 20 1.260 8.238 -1.418
128 HB3 ASN 20 2HB ASN 20 2.925 8.793 -1.374
129 HD21 ASN 20 1HD2 ASN 20 0.027 11.247 -2.613
130 HD22 ASN 20 2HD2 ASN 20 -0.279 9.748 -1.887
131 H PHE 21 H PHE 21 1.230 5.524 -3.086
132 HA PHE 21 HA PHE 21 3.635 4.128 -2.124
133 HB2 PHE 21 2HB PHE 21 0.813 3.730 -1.118
134 HB3 PHE 21 1HB PHE 21 2.213 2.773 -0.637
135 HD1 PHE 21 1HD PHE 21 0.815 6.202 -0.664
136 HD2 PHE 21 2HD PHE 21 3.739 3.572 1.055
137 HE1 PHE 21 1HE PHE 21 1.324 7.904 1.054
138 HE2 PHE 21 2HE PHE 21 4.251 5.283 2.773
139 HZ PHE 21 HZ PHE 21 3.049 7.448 2.775
140 H TYR 22 H TYR 22 3.811 1.931 -2.738
141 HA TYR 22 HA TYR 22 1.973 1.108 -4.913
142 HB2 TYR 22 2HB TYR 22 3.825 0.193 -6.121
143 HB3 TYR 22 1HB TYR 22 4.277 1.831 -5.671
144 HD1 TYR 22 1HD TYR 22 4.732 -1.764 -4.789
145 HD2 TYR 22 2HD TYR 22 6.042 2.274 -4.209
146 HE1 TYR 22 1HE TYR 22 6.784 -2.571 -3.771
147 HE2 TYR 22 2HE TYR 22 8.082 1.462 -3.154
148 HH TYR 22 HH TYR 22 9.037 -0.405 -2.172
149 H CYS 23 H CYS 23 1.935 -1.252 -5.267
150 HA CYS 23 HA CYS 23 2.050 -2.652 -2.709
151 HB2 CYS 23 2HB CYS 23 0.496 -3.187 -5.213
152 HB3 CYS 23 1HB CYS 23 0.591 -4.321 -3.872
153 HA PRO 24 HA PRO 24 5.830 -4.580 -4.501
154 HB2 PRO 24 2HB PRO 24 5.454 -6.244 -2.052
155 HB3 PRO 24 1HB PRO 24 6.897 -5.416 -2.636
156 HG2 PRO 24 2HG PRO 24 5.514 -4.477 -0.591
157 HG3 PRO 24 1HG PRO 24 6.285 -3.413 -1.758
158 HD2 PRO 24 2HD PRO 24 3.407 -4.070 -1.435
159 HD3 PRO 24 1HD PRO 24 4.174 -2.583 -2.004
160 H MET 25 H MET 25 6.254 -6.565 -5.487
161 HA MET 25 HA MET 25 3.918 -8.171 -6.107
162 HB2 MET 25 1HB MET 25 5.640 -7.535 -7.820
163 HB3 MET 25 2HB MET 25 6.786 -8.585 -6.989
164 HG2 MET 25 1HG MET 25 5.801 -9.840 -8.818
165 HG3 MET 25 2HG MET 25 5.177 -10.488 -7.306
166 HE1 MET 25 3HE MET 25 3.817 -7.059 -9.339
167 HE2 MET 25 1HE MET 25 3.153 -8.130 -10.581
168 HE3 MET 25 2HE MET 25 4.861 -8.215 -10.159
169 H GLU 26 H GLU 26 3.415 -9.223 -4.165
170 HA GLU 26 HA GLU 26 4.922 -11.627 -3.684
171 HB2 GLU 26 1HB GLU 26 5.674 -9.419 -2.189
172 HB3 GLU 26 2HB GLU 26 4.542 -10.264 -1.131
173 HG2 GLU 26 1HG GLU 26 6.708 -11.199 -0.696
174 HG3 GLU 26 2HG GLU 26 5.824 -12.395 -1.642
175 H PHE 27 H PHE 27 3.873 -12.655 -1.552
176 HA PHE 27 HA PHE 27 1.211 -13.260 -2.203
177 HB2 PHE 27 2HB PHE 27 2.660 -14.772 -0.900
178 HB3 PHE 27 1HB PHE 27 2.619 -13.638 0.450
179 HD1 PHE 27 1HD PHE 27 0.369 -15.592 -1.806
180 HD2 PHE 27 2HD PHE 27 0.895 -13.782 2.052
181 HE1 PHE 27 1HE PHE 27 -1.767 -16.596 -1.045
182 HE2 PHE 27 2HE PHE 27 -1.242 -14.784 2.814
183 HZ PHE 27 HZ PHE 27 -2.573 -16.193 1.266
184 H ILE 28 H ILE 28 2.546 -11.177 0.348
185 HA ILE 28 HA ILE 28 -0.104 -9.889 0.591
186 HB ILE 28 HB ILE 28 0.659 -9.454 3.014
187 HG12 ILE 28 1HG1 ILE 28 2.329 -11.912 2.423
188 HG13 ILE 28 2HG1 ILE 28 3.009 -10.288 2.525
189 HG21 ILE 28 1HG2 ILE 28 -1.142 -10.858 3.007
190 HG22 ILE 28 2HG2 ILE 28 0.065 -12.072 3.430
191 HG23 ILE 28 3HG2 ILE 28 -0.458 -11.893 1.754
192 HD11 ILE 28 3HD1 ILE 28 2.028 -10.086 4.825
193 HD12 ILE 28 1HD1 ILE 28 3.250 -11.349 4.694
194 HD13 ILE 28 2HD1 ILE 28 1.540 -11.776 4.717
195 HA PRO 29 HA PRO 29 3.074 -6.757 -0.800
196 HB2 PRO 29 2HB PRO 29 0.483 -5.557 -1.680
197 HB3 PRO 29 1HB PRO 29 2.020 -5.688 -2.558
198 HG2 PRO 29 2HG PRO 29 -0.037 -7.249 -3.145
199 HG3 PRO 29 1HG PRO 29 1.616 -7.889 -3.171
200 HD2 PRO 29 2HD PRO 29 -0.544 -8.291 -1.128
201 HD3 PRO 29 1HD PRO 29 0.705 -9.426 -1.690
202 H HIS 30 H HIS 30 3.554 -4.813 0.194
203 HA HIS 30 HA HIS 30 1.534 -3.769 2.106
204 HB2 HIS 30 1HB HIS 30 4.521 -3.952 2.485
205 HB3 HIS 30 2HB HIS 30 3.414 -3.125 3.574
206 HD1 HIS 30 HD1 HIS 30 4.523 -6.535 2.513
207 HD2 HIS 30 HD2 HIS 30 1.672 -4.845 5.040
208 HE1 HIS 30 HE1 HIS 30 3.633 -8.423 3.951
209 H CYS 31 H CYS 31 1.452 -1.524 2.367
210 HA CYS 31 HA CYS 31 1.987 0.010 0.046
211 HB2 CYS 31 2HB CYS 31 1.335 0.799 2.877
212 HB3 CYS 31 1HB CYS 31 1.450 1.961 1.563
213 H LYS 32 H LYS 32 3.873 0.768 -0.654
214 HA LYS 32 HA LYS 32 5.920 1.569 1.343
215 HB2 LYS 32 1HB LYS 32 6.322 0.203 -1.296
216 HB3 LYS 32 2HB LYS 32 7.629 0.832 -0.303
217 HG2 LYS 32 1HG LYS 32 5.664 -1.336 0.459
218 HG3 LYS 32 2HG LYS 32 7.348 -1.590 0.018
219 HD2 LYS 32 1HD LYS 32 7.801 0.161 1.952
220 HD3 LYS 32 2HD LYS 32 6.220 -0.372 2.523
221 HE2 LYS 32 1HE LYS 32 8.554 -2.210 1.915
222 HE3 LYS 32 2HE LYS 32 8.049 -1.710 3.528
223 HZ1 LYS 32 3HZ LYS 32 7.185 -3.919 2.626
224 HZ2 LYS 32 1HZ LYS 32 6.148 -2.981 1.666
225 HZ3 LYS 32 2HZ LYS 32 6.069 -2.869 3.359
226 H LYS 33 H LYS 33 6.643 3.574 1.158
227 HA LYS 33 HA LYS 33 5.577 5.361 -0.772
228 HB2 LYS 33 1HB LYS 33 6.326 5.914 1.578
229 HB3 LYS 33 2HB LYS 33 7.978 5.861 0.972
230 HG2 LYS 33 1HG LYS 33 7.553 7.636 -0.598
231 HG3 LYS 33 2HG LYS 33 5.823 7.598 -0.257
232 HD2 LYS 33 1HD LYS 33 7.743 8.095 1.994
233 HD3 LYS 33 2HD LYS 33 7.346 9.413 0.894
234 HE2 LYS 33 1HE LYS 33 4.929 9.039 1.345
235 HE3 LYS 33 2HE LYS 33 5.352 7.770 2.493
236 HZ1 LYS 33 3HZ LYS 33 6.473 9.335 3.860
237 HZ2 LYS 33 1HZ LYS 33 4.952 9.992 3.503
238 HZ3 LYS 33 2HZ LYS 33 6.334 10.564 2.695
239 H TYR 34 H TYR 34 6.330 6.103 -2.630
240 HA TYR 34 HA TYR 34 9.074 5.829 -3.454
241 HB2 TYR 34 2HB TYR 34 8.729 4.380 -5.272
242 HB3 TYR 34 1HB TYR 34 7.944 3.624 -3.903
243 HD1 TYR 34 1HD TYR 34 7.520 3.742 -7.165
244 HD2 TYR 34 2HD TYR 34 5.356 5.105 -3.712
245 HE1 TYR 34 1HE TYR 34 5.403 3.682 -8.438
246 HE2 TYR 34 2HE TYR 34 3.264 5.061 -4.992
247 HH TYR 34 HH TYR 34 2.845 5.271 -7.801
248 H LYS 35 H LYS 35 9.363 6.672 -5.687
249 HA LYS 35 HA LYS 35 7.375 8.744 -6.330
250 HB2 LYS 35 1HB LYS 35 10.369 9.042 -6.308
251 HB3 LYS 35 2HB LYS 35 9.213 10.272 -6.807
252 HG2 LYS 35 1HG LYS 35 9.405 10.917 -4.610
253 HG3 LYS 35 2HG LYS 35 8.157 9.698 -4.404
254 HD2 LYS 35 1HD LYS 35 9.883 9.324 -2.744
255 HD3 LYS 35 2HD LYS 35 9.940 7.992 -3.903
256 HE2 LYS 35 1HE LYS 35 12.007 8.598 -4.647
257 HE3 LYS 35 2HE LYS 35 11.627 10.320 -4.621
258 HZ1 LYS 35 3HZ LYS 35 13.091 8.863 -2.754
259 HZ2 LYS 35 1HZ LYS 35 11.658 9.350 -1.989
260 HZ3 LYS 35 2HZ LYS 35 12.673 10.509 -2.702
261 HA PRO 36 HA PRO 36 8.337 6.322 -10.132
262 HB2 PRO 36 2HB PRO 36 5.820 6.321 -11.165
263 HB3 PRO 36 1HB PRO 36 6.364 5.152 -9.946
264 HG2 PRO 36 2HG PRO 36 4.714 7.603 -9.615
265 HG3 PRO 36 1HG PRO 36 4.557 6.027 -8.829
266 HD2 PRO 36 2HD PRO 36 5.702 8.215 -7.642
267 HD3 PRO 36 1HD PRO 36 6.108 6.543 -7.189
268 H TYR 37 H TYR 37 8.345 6.955 -12.367
269 HA TYR 37 HA TYR 37 7.401 9.623 -13.050
270 HB2 TYR 37 2HB TYR 37 9.630 10.343 -13.819
271 HB3 TYR 37 1HB TYR 37 9.605 10.064 -12.079
272 HD1 TYR 37 1HD TYR 37 10.852 8.852 -15.325
273 HD2 TYR 37 2HD TYR 37 10.680 8.098 -11.100
274 HE1 TYR 37 1HE TYR 37 12.680 7.186 -15.546
275 HE2 TYR 37 2HE TYR 37 12.502 6.436 -11.318
276 HH TYR 37 HH TYR 37 13.862 5.370 -12.710
277 H VAL 38 H VAL 38 7.616 10.065 -15.366
278 HA VAL 38 HA VAL 38 7.638 7.567 -16.915
279 HB VAL 38 HB VAL 38 6.184 8.824 -18.536
280 HG11 VAL 38 1HG1 VAL 38 5.424 8.224 -15.696
281 HG12 VAL 38 2HG1 VAL 38 4.951 7.391 -17.178
282 HG13 VAL 38 3HG1 VAL 38 4.227 8.945 -16.770
283 HG21 VAL 38 3HG2 VAL 38 5.157 10.906 -17.779
284 HG22 VAL 38 1HG2 VAL 38 6.911 11.100 -17.781
285 HG23 VAL 38 2HG2 VAL 38 6.053 10.832 -16.263
286 HA PRO 39 HA PRO 39 11.085 9.183 -19.211
287 HB2 PRO 39 2HB PRO 39 10.773 7.868 -21.585
288 HB3 PRO 39 1HB PRO 39 11.351 7.073 -20.106
289 HG2 PRO 39 2HG PRO 39 8.623 7.073 -21.313
290 HG3 PRO 39 1HG PRO 39 9.531 5.741 -20.577
291 HD2 PRO 39 2HD PRO 39 7.569 7.074 -19.234
292 HD3 PRO 39 1HD PRO 39 8.981 6.373 -18.414
293 H VAL 40 H VAL 40 11.641 10.538 -21.029
294 HA VAL 40 HA VAL 40 9.335 11.822 -22.364
295 HB VAL 40 HB VAL 40 10.478 13.991 -22.126
296 HG11 VAL 40 1HG1 VAL 40 8.827 13.336 -20.438
297 HG12 VAL 40 2HG1 VAL 40 10.135 14.243 -19.679
298 HG13 VAL 40 3HG1 VAL 40 10.073 12.488 -19.524
299 HG21 VAL 40 3HG2 VAL 40 12.559 12.224 -20.901
300 HG22 VAL 40 1HG2 VAL 40 12.336 13.829 -20.204
301 HG23 VAL 40 2HG2 VAL 40 12.756 13.658 -21.907
302 H THR 41 H THR 41 9.853 12.873 -24.384
303 HA THR 41 HA THR 41 12.414 12.175 -25.616
304 HB THR 41 HB THR 41 10.912 10.240 -26.047
305 HG1 THR 41 1HG THR 41 12.010 11.890 -27.950
306 HG21 THR 41 3HG2 THR 41 8.910 10.507 -27.353
307 HG22 THR 41 1HG2 THR 41 9.241 12.219 -27.613
308 HG23 THR 41 2HG2 THR 41 8.807 11.639 -26.006
309 H THR 42 H THR 42 12.886 13.395 -27.485
310 HA THR 42 HA THR 42 11.214 15.815 -27.774
311 HB THR 42 HB THR 42 14.059 15.582 -28.717
312 HG1 THR 42 1HG THR 42 13.677 16.759 -26.285
313 HG21 THR 42 3HG2 THR 42 13.984 17.892 -28.792
314 HG22 THR 42 1HG2 THR 42 12.775 18.001 -27.514
315 HG23 THR 42 2HG2 THR 42 12.296 17.519 -29.141
Start of MODEL 4
1 HA ASP 1 HA ASP 1 -10.942 2.282 6.787
2 HB2 ASP 1 1HB ASP 1 -10.236 -0.575 6.513
3 HB3 ASP 1 2HB ASP 1 -10.162 0.472 7.929
4 H CYS 2 H CYS 2 -8.556 1.663 6.216
5 HA CYS 2 HA CYS 2 -8.139 0.927 3.439
6 HB2 CYS 2 2HB CYS 2 -8.535 3.158 2.917
7 HB3 CYS 2 1HB CYS 2 -7.840 3.742 4.429
8 H ALA 3 H ALA 3 -5.839 0.838 2.880
9 HA ALA 3 HA ALA 3 -4.268 0.034 5.229
10 HB1 ALA 3 3HB ALA 3 -3.341 -1.541 3.899
11 HB2 ALA 3 1HB ALA 3 -3.120 -0.411 2.562
12 HB3 ALA 3 2HB ALA 3 -4.681 -1.192 2.810
13 H LYS 4 H LYS 4 -2.954 1.499 6.062
14 HA LYS 4 HA LYS 4 -2.033 3.797 4.538
15 HB2 LYS 4 1HB LYS 4 -1.455 2.927 7.387
16 HB3 LYS 4 2HB LYS 4 -0.989 4.472 6.676
17 HG2 LYS 4 1HG LYS 4 -3.363 5.001 6.259
18 HG3 LYS 4 2HG LYS 4 -3.832 3.458 6.973
19 HD2 LYS 4 1HD LYS 4 -2.753 4.139 9.106
20 HD3 LYS 4 2HD LYS 4 -2.365 5.702 8.389
21 HE2 LYS 4 1HE LYS 4 -5.167 4.586 8.699
22 HE3 LYS 4 2HE LYS 4 -4.438 5.803 9.749
23 HZ1 LYS 4 3HZ LYS 4 -5.129 6.034 6.883
24 HZ2 LYS 4 1HZ LYS 4 -4.053 7.108 7.633
25 HZ3 LYS 4 2HZ LYS 4 -5.658 6.999 8.177
26 H GLU 5 H GLU 5 0.488 4.300 5.363
27 HA GLU 5 HA GLU 5 2.115 2.780 3.704
28 HB2 GLU 5 1HB GLU 5 2.743 4.992 4.575
29 HB3 GLU 5 2HB GLU 5 2.918 4.310 6.192
30 HG2 GLU 5 1HG GLU 5 4.725 2.859 5.438
31 HG3 GLU 5 2HG GLU 5 4.499 3.388 3.771
32 H GLY 6 H GLY 6 3.095 0.875 3.852
33 HA2 GLY 6 1HA GLY 6 3.989 -1.060 4.709
34 HA3 GLY 6 2HA GLY 6 3.945 -0.328 6.300
35 H GLU 7 H GLU 7 0.981 -0.411 4.504
36 HA GLU 7 HA GLU 7 0.005 -2.541 6.319
37 HB2 GLU 7 1HB GLU 7 -1.582 -0.399 4.893
38 HB3 GLU 7 2HB GLU 7 -2.222 -1.592 6.020
39 HG2 GLU 7 1HG GLU 7 -0.085 0.442 6.715
40 HG3 GLU 7 2HG GLU 7 -1.794 0.622 7.101
41 H VAL 8 H VAL 8 -1.355 -4.160 5.482
42 HA VAL 8 HA VAL 8 -0.583 -5.202 3.007
43 HB VAL 8 HB VAL 8 -3.027 -5.781 4.691
44 HG11 VAL 8 1HG1 VAL 8 -2.507 -8.059 3.273
45 HG12 VAL 8 2HG1 VAL 8 -2.113 -6.821 2.080
46 HG13 VAL 8 3HG1 VAL 8 -3.717 -6.861 2.811
47 HG21 VAL 8 3HG2 VAL 8 -1.732 -7.577 5.600
48 HG22 VAL 8 1HG2 VAL 8 -0.686 -6.158 5.642
49 HG23 VAL 8 2HG2 VAL 8 -0.471 -7.375 4.383
50 H CYS 9 H CYS 9 -1.219 -4.853 0.962
51 HA CYS 9 HA CYS 9 -3.807 -3.481 0.520
52 HB2 CYS 9 2HB CYS 9 -2.814 -2.042 -1.151
53 HB3 CYS 9 1HB CYS 9 -1.919 -1.851 0.357
54 H SER 10 H SER 10 -3.400 -3.316 -2.303
55 HA SER 10 HA SER 10 -3.741 -4.533 -4.213
56 HB2 SER 10 1HB SER 10 -1.482 -5.487 -3.527
57 HB3 SER 10 2HB SER 10 -2.365 -6.843 -2.833
58 HG SER 10 HG SER 10 -2.749 -5.947 -5.490
59 H TRP 11 H TRP 11 -3.810 -7.675 -3.470
60 HA TRP 11 HA TRP 11 -6.536 -8.042 -3.870
61 HB2 TRP 11 2HB TRP 11 -6.192 -10.328 -3.251
62 HB3 TRP 11 1HB TRP 11 -4.708 -9.789 -4.038
63 HD1 TRP 11 1HD TRP 11 -2.551 -9.427 -2.514
64 HE1 TRP 11 1HE TRP 11 -1.961 -10.250 -0.144
65 HE3 TRP 11 3HE TRP 11 -7.171 -10.883 -0.917
66 HZ2 TRP 11 2HZ TRP 11 -3.279 -11.380 2.132
67 HZ3 TRP 11 3HZ TRP 11 -7.479 -11.830 1.355
68 HH2 TRP 11 2HH TRP 11 -5.539 -12.079 2.881
69 H GLY 12 H GLY 12 -4.738 -7.508 -0.892
70 HA2 GLY 12 1HA GLY 12 -6.727 -8.301 0.939
71 HA3 GLY 12 2HA GLY 12 -5.442 -7.144 1.268
72 H LYS 13 H LYS 13 -6.065 -5.145 -0.579
73 HA LYS 13 HA LYS 13 -8.755 -4.329 -0.641
74 HB2 LYS 13 1HB LYS 13 -8.086 -4.233 1.941
75 HB3 LYS 13 2HB LYS 13 -7.363 -2.707 1.458
76 HG2 LYS 13 1HG LYS 13 -9.513 -1.962 0.519
77 HG3 LYS 13 2HG LYS 13 -10.244 -3.508 0.944
78 HD2 LYS 13 1HD LYS 13 -9.740 -3.078 3.333
79 HD3 LYS 13 2HD LYS 13 -9.068 -1.507 2.894
80 HE2 LYS 13 1HE LYS 13 -11.246 -0.827 1.962
81 HE3 LYS 13 2HE LYS 13 -11.922 -2.400 2.386
82 HZ1 LYS 13 3HZ LYS 13 -12.418 -0.687 4.045
83 HZ2 LYS 13 1HZ LYS 13 -10.758 -0.475 4.324
84 HZ3 LYS 13 2HZ LYS 13 -11.497 -1.957 4.697
85 H LYS 14 H LYS 14 -7.851 -1.487 0.168
86 HA LYS 14 HA LYS 14 -6.156 -0.905 -2.177
87 HB2 LYS 14 1HB LYS 14 -8.637 0.568 -1.246
88 HB3 LYS 14 2HB LYS 14 -7.530 1.141 -2.494
89 HG2 LYS 14 1HG LYS 14 -8.032 -0.706 -3.927
90 HG3 LYS 14 2HG LYS 14 -8.856 -1.571 -2.632
91 HD2 LYS 14 1HD LYS 14 -10.537 -0.631 -4.103
92 HD3 LYS 14 2HD LYS 14 -10.574 0.261 -2.583
93 HE2 LYS 14 1HE LYS 14 -9.329 2.095 -3.554
94 HE3 LYS 14 2HE LYS 14 -9.040 1.177 -5.033
95 HZ1 LYS 14 3HZ LYS 14 -11.010 1.781 -5.820
96 HZ2 LYS 14 1HZ LYS 14 -11.159 2.850 -4.512
97 HZ3 LYS 14 2HZ LYS 14 -11.808 1.283 -4.406
98 H CYS 15 H CYS 15 -4.607 0.579 -1.876
99 HA CYS 15 HA CYS 15 -3.937 1.288 0.835
100 HB2 CYS 15 2HB CYS 15 -2.337 0.646 -1.087
101 HB3 CYS 15 1HB CYS 15 -2.567 2.302 -1.637
102 H CYS 16 H CYS 16 -3.837 3.388 1.703
103 HA CYS 16 HA CYS 16 -5.898 5.135 1.014
104 HB2 CYS 16 2HB CYS 16 -3.372 5.548 2.614
105 HB3 CYS 16 1HB CYS 16 -4.641 6.764 2.498
106 H ASP 17 H ASP 17 -2.472 5.218 0.167
107 HA ASP 17 HA ASP 17 -3.111 7.242 -1.893
108 HB2 ASP 17 1HB ASP 17 -0.805 7.168 0.040
109 HB3 ASP 17 2HB ASP 17 -0.695 8.042 -1.488
110 H LEU 18 H LEU 18 -3.201 5.834 -3.583
111 HA LEU 18 HA LEU 18 -1.131 3.851 -3.995
112 HB2 LEU 18 1HB LEU 18 -3.530 4.713 -5.626
113 HB3 LEU 18 2HB LEU 18 -2.422 3.439 -6.131
114 HG LEU 18 HG LEU 18 -3.712 3.346 -3.400
115 HD11 LEU 18 1HD1 LEU 18 -5.564 3.585 -4.989
116 HD12 LEU 18 2HD1 LEU 18 -5.491 1.918 -4.410
117 HD13 LEU 18 3HD1 LEU 18 -4.873 2.323 -6.013
118 HD21 LEU 18 3HD2 LEU 18 -2.623 1.264 -5.332
119 HD22 LEU 18 1HD2 LEU 18 -3.452 0.873 -3.827
120 HD23 LEU 18 2HD2 LEU 18 -1.917 1.735 -3.789
121 H ASP 19 H ASP 19 -1.359 7.128 -4.525
122 HA ASP 19 HA ASP 19 0.167 7.147 -7.020
123 HB2 ASP 19 1HB ASP 19 -0.937 9.352 -5.274
124 HB3 ASP 19 2HB ASP 19 0.022 9.643 -6.724
125 H ASN 20 H ASN 20 0.626 7.617 -3.579
126 HA ASN 20 HA ASN 20 3.421 8.436 -4.027
127 HB2 ASN 20 1HB ASN 20 1.734 8.478 -1.519
128 HB3 ASN 20 2HB ASN 20 3.400 9.014 -1.619
129 HD21 ASN 20 1HD2 ASN 20 0.572 11.619 -2.423
130 HD22 ASN 20 2HD2 ASN 20 0.404 10.244 -1.450
131 H PHE 21 H PHE 21 1.511 5.738 -3.184
132 HA PHE 21 HA PHE 21 3.929 4.301 -2.279
133 HB2 PHE 21 2HB PHE 21 1.111 3.911 -1.254
134 HB3 PHE 21 1HB PHE 21 2.528 2.986 -0.765
135 HD1 PHE 21 1HD PHE 21 1.166 6.445 -0.888
136 HD2 PHE 21 2HD PHE 21 3.946 3.781 0.982
137 HE1 PHE 21 1HE PHE 21 1.629 8.150 0.850
138 HE2 PHE 21 2HE PHE 21 4.408 5.468 2.714
139 HZ PHE 21 HZ PHE 21 3.257 7.661 2.652
140 H TYR 22 H TYR 22 3.804 1.940 -2.651
141 HA TYR 22 HA TYR 22 2.015 1.223 -4.891
142 HB2 TYR 22 2HB TYR 22 3.826 0.212 -6.094
143 HB3 TYR 22 1HB TYR 22 4.356 1.831 -5.657
144 HD1 TYR 22 1HD TYR 22 4.702 -1.775 -4.882
145 HD2 TYR 22 2HD TYR 22 6.085 2.202 -4.087
146 HE1 TYR 22 1HE TYR 22 6.712 -2.676 -3.849
147 HE2 TYR 22 2HE TYR 22 8.087 1.283 -3.008
148 HH TYR 22 HH TYR 22 8.399 -1.686 -1.908
149 H CYS 23 H CYS 23 1.839 -1.109 -5.219
150 HA CYS 23 HA CYS 23 1.914 -2.535 -2.662
151 HB2 CYS 23 2HB CYS 23 0.298 -2.900 -5.158
152 HB3 CYS 23 1HB CYS 23 0.382 -4.136 -3.906
153 HA PRO 24 HA PRO 24 5.587 -4.590 -4.511
154 HB2 PRO 24 2HB PRO 24 5.093 -6.272 -2.086
155 HB3 PRO 24 1HB PRO 24 6.609 -5.579 -2.684
156 HG2 PRO 24 2HG PRO 24 5.385 -4.508 -0.628
157 HG3 PRO 24 1HG PRO 24 6.146 -3.496 -1.845
158 HD2 PRO 24 2HD PRO 24 3.248 -4.044 -1.396
159 HD3 PRO 24 1HD PRO 24 4.046 -2.566 -1.955
160 H MET 25 H MET 25 5.930 -6.566 -5.553
161 HA MET 25 HA MET 25 3.509 -8.057 -6.179
162 HB2 MET 25 1HB MET 25 4.904 -9.147 -7.895
163 HB3 MET 25 2HB MET 25 4.983 -7.391 -8.013
164 HG2 MET 25 1HG MET 25 7.103 -7.409 -6.731
165 HG3 MET 25 2HG MET 25 7.035 -9.169 -6.660
166 HE1 MET 25 3HE MET 25 7.628 -10.725 -8.300
167 HE2 MET 25 1HE MET 25 7.876 -10.468 -10.031
168 HE3 MET 25 2HE MET 25 6.259 -10.356 -9.346
169 H GLU 26 H GLU 26 4.401 -8.421 -3.512
170 HA GLU 26 HA GLU 26 5.554 -11.120 -3.515
171 HB2 GLU 26 1HB GLU 26 5.247 -9.048 -1.338
172 HB3 GLU 26 2HB GLU 26 5.790 -10.700 -1.036
173 HG2 GLU 26 1HG GLU 26 7.682 -10.401 -2.537
174 HG3 GLU 26 2HG GLU 26 7.110 -8.795 -2.987
175 H PHE 27 H PHE 27 4.651 -12.314 -1.428
176 HA PHE 27 HA PHE 27 2.056 -13.169 -2.072
177 HB2 PHE 27 2HB PHE 27 3.699 -14.546 -0.825
178 HB3 PHE 27 1HB PHE 27 3.502 -13.485 0.572
179 HD1 PHE 27 1HD PHE 27 1.473 -15.524 -1.829
180 HD2 PHE 27 2HD PHE 27 1.869 -14.012 2.170
181 HE1 PHE 27 1HE PHE 27 -0.519 -16.829 -1.139
182 HE2 PHE 27 2HE PHE 27 -0.127 -15.311 2.860
183 HZ PHE 27 HZ PHE 27 -1.320 -16.723 1.205
184 H ILE 28 H ILE 28 3.218 -11.026 0.506
185 HA ILE 28 HA ILE 28 0.452 -10.030 0.844
186 HB ILE 28 HB ILE 28 1.423 -9.447 3.229
187 HG12 ILE 28 1HG1 ILE 28 2.948 -11.965 2.500
188 HG13 ILE 28 2HG1 ILE 28 3.688 -10.368 2.587
189 HG21 ILE 28 1HG2 ILE 28 -0.541 -10.818 2.860
190 HG22 ILE 28 2HG2 ILE 28 0.509 -11.653 4.006
191 HG23 ILE 28 3HG2 ILE 28 0.453 -12.167 2.319
192 HD11 ILE 28 3HD1 ILE 28 3.222 -12.182 4.724
193 HD12 ILE 28 1HD1 ILE 28 2.152 -10.804 4.975
194 HD13 ILE 28 2HD1 ILE 28 3.891 -10.554 4.817
195 HA PRO 29 HA PRO 29 3.177 -6.594 -0.740
196 HB2 PRO 29 2HB PRO 29 0.451 -5.618 -1.431
197 HB3 PRO 29 1HB PRO 29 1.916 -5.664 -2.427
198 HG2 PRO 29 2HG PRO 29 -0.082 -7.366 -2.822
199 HG3 PRO 29 1HG PRO 29 1.603 -7.887 -2.994
200 HD2 PRO 29 2HD PRO 29 -0.318 -8.428 -0.767
201 HD3 PRO 29 1HD PRO 29 0.958 -9.469 -1.437
202 H HIS 30 H HIS 30 3.615 -4.698 0.321
203 HA HIS 30 HA HIS 30 1.559 -3.683 2.186
204 HB2 HIS 30 1HB HIS 30 4.516 -3.935 2.762
205 HB3 HIS 30 2HB HIS 30 3.366 -3.061 3.764
206 HD1 HIS 30 HD1 HIS 30 4.358 -6.535 2.758
207 HD2 HIS 30 HD2 HIS 30 1.537 -4.678 5.203
208 HE1 HIS 30 HE1 HIS 30 3.334 -8.361 4.184
209 H CYS 31 H CYS 31 1.166 -1.564 2.093
210 HA CYS 31 HA CYS 31 1.911 0.002 -0.052
211 HB2 CYS 31 2HB CYS 31 1.176 0.846 2.755
212 HB3 CYS 31 1HB CYS 31 1.294 1.963 1.403
213 H LYS 32 H LYS 32 3.799 0.818 -0.678
214 HA LYS 32 HA LYS 32 5.784 1.563 1.375
215 HB2 LYS 32 1HB LYS 32 6.439 -0.600 0.448
216 HB3 LYS 32 2HB LYS 32 6.304 0.032 -1.177
217 HG2 LYS 32 1HG LYS 32 8.658 -0.005 -0.441
218 HG3 LYS 32 2HG LYS 32 8.121 1.647 -0.712
219 HD2 LYS 32 1HD LYS 32 8.019 2.132 1.578
220 HD3 LYS 32 2HD LYS 32 7.900 0.430 2.031
221 HE2 LYS 32 1HE LYS 32 10.140 1.311 2.554
222 HE3 LYS 32 2HE LYS 32 10.236 0.082 1.292
223 HZ1 LYS 32 3HZ LYS 32 9.937 2.913 0.547
224 HZ2 LYS 32 1HZ LYS 32 10.651 1.643 -0.323
225 HZ3 LYS 32 2HZ LYS 32 11.466 2.326 1.001
226 H LYS 33 H LYS 33 6.556 3.551 1.126
227 HA LYS 33 HA LYS 33 5.615 5.236 -0.954
228 HB2 LYS 33 1HB LYS 33 6.217 5.963 1.360
229 HB3 LYS 33 2HB LYS 33 7.911 5.772 0.940
230 HG2 LYS 33 1HG LYS 33 7.938 7.765 -0.111
231 HG3 LYS 33 2HG LYS 33 6.565 7.301 -1.108
232 HD2 LYS 33 1HD LYS 33 6.144 9.343 0.285
233 HD3 LYS 33 2HD LYS 33 5.003 8.033 0.581
234 HE2 LYS 33 1HE LYS 33 5.671 7.787 2.720
235 HE3 LYS 33 2HE LYS 33 7.379 7.877 2.286
236 HZ1 LYS 33 3HZ LYS 33 5.623 10.262 2.344
237 HZ2 LYS 33 1HZ LYS 33 7.319 10.216 2.282
238 HZ3 LYS 33 2HZ LYS 33 6.507 9.744 3.700
239 H TYR 34 H TYR 34 6.495 5.918 -2.771
240 HA TYR 34 HA TYR 34 9.274 5.522 -3.435
241 HB2 TYR 34 2HB TYR 34 8.987 4.021 -5.206
242 HB3 TYR 34 1HB TYR 34 8.035 3.348 -3.902
243 HD1 TYR 34 1HD TYR 34 7.865 3.122 -7.071
244 HD2 TYR 34 2HD TYR 34 5.609 5.262 -4.101
245 HE1 TYR 34 1HE TYR 34 5.891 3.152 -8.564
246 HE2 TYR 34 2HE TYR 34 3.661 5.287 -5.587
247 HH TYR 34 HH TYR 34 3.496 5.118 -8.404
248 H LYS 35 H LYS 35 9.759 6.381 -5.599
249 HA LYS 35 HA LYS 35 9.823 8.363 -6.807
250 HB2 LYS 35 1HB LYS 35 7.343 6.845 -7.509
251 HB3 LYS 35 2HB LYS 35 7.676 8.385 -8.287
252 HG2 LYS 35 1HG LYS 35 8.600 6.514 -9.606
253 HG3 LYS 35 2HG LYS 35 9.880 7.568 -9.014
254 HD2 LYS 35 1HD LYS 35 10.425 6.037 -7.237
255 HD3 LYS 35 2HD LYS 35 9.008 5.050 -7.585
256 HE2 LYS 35 1HE LYS 35 9.940 4.493 -9.800
257 HE3 LYS 35 2HE LYS 35 11.350 5.493 -9.458
258 HZ1 LYS 35 3HZ LYS 35 12.121 3.467 -8.810
259 HZ2 LYS 35 1HZ LYS 35 10.595 2.893 -8.341
260 HZ3 LYS 35 2HZ LYS 35 11.440 3.974 -7.341
261 HA PRO 36 HA PRO 36 6.917 10.677 -3.924
262 HB2 PRO 36 2HB PRO 36 8.807 11.954 -2.442
263 HB3 PRO 36 1HB PRO 36 8.201 10.337 -2.035
264 HG2 PRO 36 2HG PRO 36 10.717 11.116 -3.429
265 HG3 PRO 36 1HG PRO 36 10.455 9.883 -2.184
266 HD2 PRO 36 2HD PRO 36 10.654 9.280 -4.841
267 HD3 PRO 36 1HD PRO 36 9.684 8.319 -3.706
268 H TYR 37 H TYR 37 6.481 12.922 -3.986
269 HA TYR 37 HA TYR 37 8.017 14.424 -6.022
270 HB2 TYR 37 2HB TYR 37 5.075 14.551 -5.333
271 HB3 TYR 37 1HB TYR 37 5.887 15.590 -6.505
272 HD1 TYR 37 1HD TYR 37 4.837 12.124 -5.750
273 HD2 TYR 37 2HD TYR 37 6.604 14.745 -8.661
274 HE1 TYR 37 1HE TYR 37 4.570 10.376 -7.487
275 HE2 TYR 37 2HE TYR 37 6.339 12.993 -10.398
276 HH TYR 37 HH TYR 37 6.164 10.288 -10.267
277 H VAL 38 H VAL 38 5.599 16.230 -4.646
278 HA VAL 38 HA VAL 38 7.358 17.344 -2.554
279 HB VAL 38 HB VAL 38 5.736 19.013 -4.481
280 HG11 VAL 38 1HG1 VAL 38 7.210 20.818 -3.519
281 HG12 VAL 38 2HG1 VAL 38 7.800 19.639 -2.349
282 HG13 VAL 38 3HG1 VAL 38 6.098 20.106 -2.350
283 HG21 VAL 38 3HG2 VAL 38 7.526 17.967 -5.736
284 HG22 VAL 38 1HG2 VAL 38 8.684 18.296 -4.446
285 HG23 VAL 38 2HG2 VAL 38 8.015 19.627 -5.389
286 HA PRO 39 HA PRO 39 2.977 16.658 -1.102
287 HB2 PRO 39 2HB PRO 39 3.553 15.133 1.072
288 HB3 PRO 39 1HB PRO 39 3.368 14.450 -0.557
289 HG2 PRO 39 2HG PRO 39 5.850 15.075 0.962
290 HG3 PRO 39 1HG PRO 39 5.480 13.693 -0.082
291 HD2 PRO 39 2HD PRO 39 6.981 15.847 -0.888
292 HD3 PRO 39 1HD PRO 39 6.056 14.824 -2.008
293 H VAL 40 H VAL 40 1.947 17.508 0.808
294 HA VAL 40 HA VAL 40 3.320 19.781 1.914
295 HB VAL 40 HB VAL 40 0.596 18.596 2.493
296 HG11 VAL 40 1HG1 VAL 40 0.865 19.860 4.391
297 HG12 VAL 40 2HG1 VAL 40 0.416 21.164 3.290
298 HG13 VAL 40 3HG1 VAL 40 2.116 20.870 3.666
299 HG21 VAL 40 3HG2 VAL 40 1.275 19.672 0.188
300 HG22 VAL 40 1HG2 VAL 40 1.160 21.188 1.081
301 HG23 VAL 40 2HG2 VAL 40 -0.247 20.134 0.948
302 H THR 41 H THR 41 4.472 19.866 3.725
303 HA THR 41 HA THR 41 3.871 18.107 5.967
304 HB THR 41 HB THR 41 5.437 16.791 4.549
305 HG1 THR 41 1HG THR 41 6.790 16.317 6.248
306 HG21 THR 41 3HG2 THR 41 7.659 17.560 4.123
307 HG22 THR 41 1HG2 THR 41 7.452 18.952 5.186
308 HG23 THR 41 2HG2 THR 41 6.586 18.878 3.651
309 H THR 42 H THR 42 4.965 18.748 7.924
310 HA THR 42 HA THR 42 5.376 21.615 8.042
311 HB THR 42 HB THR 42 5.758 19.693 10.329
312 HG1 THR 42 1HG THR 42 3.281 20.855 9.763
313 HG21 THR 42 3HG2 THR 42 5.237 21.554 11.674
314 HG22 THR 42 1HG2 THR 42 4.494 22.428 10.334
315 HG23 THR 42 2HG2 THR 42 6.245 22.235 10.398
Start of MODEL 5
1 HA ASP 1 HA ASP 1 -10.834 3.410 6.407
2 HB2 ASP 1 1HB ASP 1 -11.328 0.427 6.355
3 HB3 ASP 1 2HB ASP 1 -9.833 1.124 6.976
4 H CYS 2 H CYS 2 -8.518 2.474 5.903
5 HA CYS 2 HA CYS 2 -8.175 1.611 3.146
6 HB2 CYS 2 2HB CYS 2 -6.884 3.516 2.436
7 HB3 CYS 2 1HB CYS 2 -8.449 4.101 3.009
8 H ALA 3 H ALA 3 -5.765 1.483 2.629
9 HA ALA 3 HA ALA 3 -4.412 0.364 4.981
10 HB1 ALA 3 3HB ALA 3 -3.005 0.054 2.463
11 HB2 ALA 3 1HB ALA 3 -4.672 -0.514 2.346
12 HB3 ALA 3 2HB ALA 3 -3.596 -1.180 3.576
13 H LYS 4 H LYS 4 -2.621 1.236 5.848
14 HA LYS 4 HA LYS 4 -1.623 3.749 4.687
15 HB2 LYS 4 1HB LYS 4 -1.245 2.533 7.437
16 HB3 LYS 4 2HB LYS 4 -0.577 4.077 6.915
17 HG2 LYS 4 1HG LYS 4 -2.847 4.922 6.472
18 HG3 LYS 4 2HG LYS 4 -3.526 3.376 6.986
19 HD2 LYS 4 1HD LYS 4 -2.495 3.692 9.224
20 HD3 LYS 4 2HD LYS 4 -1.896 5.268 8.706
21 HE2 LYS 4 1HE LYS 4 -4.819 4.460 8.751
22 HE3 LYS 4 2HE LYS 4 -4.028 5.443 9.984
23 HZ1 LYS 4 3HZ LYS 4 -4.610 6.110 7.175
24 HZ2 LYS 4 1HZ LYS 4 -3.343 6.891 7.987
25 HZ3 LYS 4 2HZ LYS 4 -4.932 7.010 8.578
26 H GLU 5 H GLU 5 0.879 3.899 5.750
27 HA GLU 5 HA GLU 5 2.413 2.337 3.946
28 HB2 GLU 5 1HB GLU 5 3.105 4.569 4.755
29 HB3 GLU 5 2HB GLU 5 3.342 3.893 6.366
30 HG2 GLU 5 1HG GLU 5 5.044 2.348 5.490
31 HG3 GLU 5 2HG GLU 5 4.785 2.971 3.863
32 H GLY 6 H GLY 6 3.236 0.375 4.124
33 HA2 GLY 6 1HA GLY 6 4.262 -1.458 5.154
34 HA3 GLY 6 2HA GLY 6 3.908 -0.763 6.713
35 H GLU 7 H GLU 7 1.066 -0.439 5.213
36 HA GLU 7 HA GLU 7 0.011 -2.878 6.428
37 HB2 GLU 7 1HB GLU 7 -1.369 -0.450 5.268
38 HB3 GLU 7 2HB GLU 7 -2.205 -1.825 5.988
39 HG2 GLU 7 1HG GLU 7 -0.936 -1.441 8.101
40 HG3 GLU 7 2HG GLU 7 -0.211 -0.008 7.373
41 H VAL 8 H VAL 8 -1.325 -4.341 5.320
42 HA VAL 8 HA VAL 8 -0.430 -5.074 2.778
43 HB VAL 8 HB VAL 8 -2.947 -5.848 4.255
44 HG11 VAL 8 1HG1 VAL 8 -2.788 -7.859 2.649
45 HG12 VAL 8 2HG1 VAL 8 -1.745 -6.832 1.665
46 HG13 VAL 8 3HG1 VAL 8 -3.410 -6.350 1.983
47 HG21 VAL 8 3HG2 VAL 8 -0.871 -6.497 5.378
48 HG22 VAL 8 1HG2 VAL 8 -0.250 -7.188 3.880
49 HG23 VAL 8 2HG2 VAL 8 -1.636 -7.926 4.683
50 H CYS 9 H CYS 9 -1.187 -4.753 0.690
51 HA CYS 9 HA CYS 9 -3.547 -2.970 0.432
52 HB2 CYS 9 2HB CYS 9 -2.419 -1.777 -1.371
53 HB3 CYS 9 1HB CYS 9 -1.445 -1.696 0.099
54 H SER 10 H SER 10 -4.504 -3.032 -1.765
55 HA SER 10 HA SER 10 -5.494 -4.215 -3.468
56 HB2 SER 10 1HB SER 10 -3.058 -4.254 -4.211
57 HB3 SER 10 2HB SER 10 -2.982 -5.878 -3.539
58 HG SER 10 HG SER 10 -4.137 -6.587 -5.154
59 H TRP 11 H TRP 11 -4.853 -7.064 -4.039
60 HA TRP 11 HA TRP 11 -5.835 -9.081 -3.538
61 HB2 TRP 11 2HB TRP 11 -4.134 -8.295 -1.370
62 HB3 TRP 11 1HB TRP 11 -5.505 -9.192 -0.737
63 HD1 TRP 11 1HD TRP 11 -2.206 -9.915 -1.705
64 HE1 TRP 11 1HE TRP 11 -1.938 -12.279 -2.704
65 HE3 TRP 11 3HE TRP 11 -7.079 -10.971 -2.754
66 HZ2 TRP 11 2HZ TRP 11 -3.584 -14.346 -3.810
67 HZ3 TRP 11 3HZ TRP 11 -7.709 -13.143 -3.783
68 HH2 TRP 11 2HH TRP 11 -5.966 -14.829 -4.311
69 H GLY 12 H GLY 12 -7.371 -6.444 -3.076
70 HA2 GLY 12 1HA GLY 12 -9.832 -6.668 -2.912
71 HA3 GLY 12 2HA GLY 12 -9.564 -7.652 -1.481
72 H LYS 13 H LYS 13 -7.279 -5.276 -1.434
73 HA LYS 13 HA LYS 13 -8.986 -3.410 0.103
74 HB2 LYS 13 1HB LYS 13 -6.183 -4.329 0.782
75 HB3 LYS 13 2HB LYS 13 -7.098 -3.094 1.646
76 HG2 LYS 13 1HG LYS 13 -8.806 -4.705 2.262
77 HG3 LYS 13 2HG LYS 13 -8.046 -5.946 1.269
78 HD2 LYS 13 1HD LYS 13 -7.387 -6.381 3.537
79 HD3 LYS 13 2HD LYS 13 -5.981 -5.700 2.722
80 HE2 LYS 13 1HE LYS 13 -6.328 -3.549 3.729
81 HE3 LYS 13 2HE LYS 13 -7.923 -4.013 4.323
82 HZ1 LYS 13 3HZ LYS 13 -6.678 -4.348 6.179
83 HZ2 LYS 13 1HZ LYS 13 -5.268 -4.735 5.318
84 HZ3 LYS 13 2HZ LYS 13 -6.511 -5.883 5.472
85 H LYS 14 H LYS 14 -8.363 -1.200 0.047
86 HA LYS 14 HA LYS 14 -6.494 -0.524 -2.151
87 HB2 LYS 14 1HB LYS 14 -8.974 0.923 -1.185
88 HB3 LYS 14 2HB LYS 14 -7.875 1.526 -2.424
89 HG2 LYS 14 1HG LYS 14 -8.329 -0.483 -3.799
90 HG3 LYS 14 2HG LYS 14 -9.441 -1.069 -2.561
91 HD2 LYS 14 1HD LYS 14 -10.829 0.959 -2.851
92 HD3 LYS 14 2HD LYS 14 -9.729 1.524 -4.108
93 HE2 LYS 14 1HE LYS 14 -11.272 -1.086 -4.211
94 HE3 LYS 14 2HE LYS 14 -11.737 0.393 -5.054
95 HZ1 LYS 14 3HZ LYS 14 -10.380 -0.181 -6.686
96 HZ2 LYS 14 1HZ LYS 14 -9.875 -1.562 -5.840
97 HZ3 LYS 14 2HZ LYS 14 -9.057 -0.088 -5.626
98 H CYS 15 H CYS 15 -4.804 0.685 -1.658
99 HA CYS 15 HA CYS 15 -4.307 1.440 1.065
100 HB2 CYS 15 2HB CYS 15 -2.627 0.677 -0.747
101 HB3 CYS 15 1HB CYS 15 -2.700 2.342 -1.302
102 H CYS 16 H CYS 16 -4.306 3.465 1.967
103 HA CYS 16 HA CYS 16 -6.135 5.358 1.167
104 HB2 CYS 16 2HB CYS 16 -4.140 5.120 3.189
105 HB3 CYS 16 1HB CYS 16 -4.036 6.738 2.498
106 H ASP 17 H ASP 17 -2.761 5.072 0.243
107 HA ASP 17 HA ASP 17 -3.224 7.128 -1.819
108 HB2 ASP 17 1HB ASP 17 -0.920 6.981 0.119
109 HB3 ASP 17 2HB ASP 17 -0.827 7.875 -1.397
110 H LEU 18 H LEU 18 -3.450 5.371 -3.295
111 HA LEU 18 HA LEU 18 -1.394 3.417 -3.641
112 HB2 LEU 18 1HB LEU 18 -3.724 4.304 -5.338
113 HB3 LEU 18 2HB LEU 18 -2.608 3.044 -5.862
114 HG LEU 18 HG LEU 18 -3.928 2.916 -3.152
115 HD11 LEU 18 1HD1 LEU 18 -5.623 1.410 -4.256
116 HD12 LEU 18 2HD1 LEU 18 -5.034 1.991 -5.813
117 HD13 LEU 18 3HD1 LEU 18 -5.782 3.115 -4.675
118 HD21 LEU 18 3HD2 LEU 18 -2.996 0.841 -3.053
119 HD22 LEU 18 1HD2 LEU 18 -1.994 1.348 -4.409
120 HD23 LEU 18 2HD2 LEU 18 -3.484 0.462 -4.700
121 H ASP 19 H ASP 19 -1.770 6.676 -4.628
122 HA ASP 19 HA ASP 19 -0.096 6.533 -6.964
123 HB2 ASP 19 1HB ASP 19 -1.814 8.275 -6.673
124 HB3 ASP 19 2HB ASP 19 -0.915 8.918 -5.300
125 H ASN 20 H ASN 20 0.366 7.766 -3.645
126 HA ASN 20 HA ASN 20 3.175 8.279 -4.115
127 HB2 ASN 20 1HB ASN 20 1.490 8.374 -1.608
128 HB3 ASN 20 2HB ASN 20 3.179 8.845 -1.676
129 HD21 ASN 20 1HD2 ASN 20 0.475 11.547 -2.511
130 HD22 ASN 20 2HD2 ASN 20 0.253 10.183 -1.540
131 H PHE 21 H PHE 21 1.315 5.566 -3.232
132 HA PHE 21 HA PHE 21 3.761 4.188 -2.317
133 HB2 PHE 21 2HB PHE 21 0.934 3.757 -1.344
134 HB3 PHE 21 1HB PHE 21 2.321 2.769 -0.902
135 HD1 PHE 21 1HD PHE 21 1.169 6.334 -0.918
136 HD2 PHE 21 2HD PHE 21 3.625 3.358 0.952
137 HE1 PHE 21 1HE PHE 21 1.742 7.939 0.872
138 HE2 PHE 21 2HE PHE 21 4.207 4.963 2.739
139 HZ PHE 21 HZ PHE 21 3.269 7.258 2.700
140 H TYR 22 H TYR 22 3.864 1.920 -2.828
141 HA TYR 22 HA TYR 22 2.119 1.120 -5.084
142 HB2 TYR 22 2HB TYR 22 4.015 0.214 -6.244
143 HB3 TYR 22 1HB TYR 22 4.455 1.841 -5.767
144 HD1 TYR 22 1HD TYR 22 4.829 -1.749 -4.846
145 HD2 TYR 22 2HD TYR 22 6.211 2.272 -4.315
146 HE1 TYR 22 1HE TYR 22 6.832 -2.581 -3.751
147 HE2 TYR 22 2HE TYR 22 8.200 1.433 -3.175
148 HH TYR 22 HH TYR 22 8.664 -2.067 -2.631
149 H CYS 23 H CYS 23 2.070 -1.238 -5.421
150 HA CYS 23 HA CYS 23 2.122 -2.630 -2.848
151 HB2 CYS 23 2HB CYS 23 0.605 -3.142 -5.378
152 HB3 CYS 23 1HB CYS 23 0.688 -4.307 -4.061
153 HA PRO 24 HA PRO 24 5.912 -4.603 -4.515
154 HB2 PRO 24 2HB PRO 24 5.493 -6.251 -2.068
155 HB3 PRO 24 1HB PRO 24 6.944 -5.405 -2.622
156 HG2 PRO 24 2HG PRO 24 5.482 -4.480 -0.621
157 HG3 PRO 24 1HG PRO 24 6.290 -3.416 -1.751
158 HD2 PRO 24 2HD PRO 24 3.400 -4.080 -1.521
159 HD3 PRO 24 1HD PRO 24 4.189 -2.587 -2.065
160 H MET 25 H MET 25 6.360 -6.603 -5.470
161 HA MET 25 HA MET 25 4.013 -8.208 -6.095
162 HB2 MET 25 1HB MET 25 6.867 -8.492 -7.065
163 HB3 MET 25 2HB MET 25 5.455 -9.312 -7.729
164 HG2 MET 25 1HG MET 25 5.838 -6.305 -7.651
165 HG3 MET 25 2HG MET 25 6.085 -7.318 -9.070
166 HE1 MET 25 3HE MET 25 4.591 -5.670 -10.243
167 HE2 MET 25 1HE MET 25 4.003 -4.758 -8.847
168 HE3 MET 25 2HE MET 25 2.861 -5.454 -9.994
169 H GLU 26 H GLU 26 3.959 -8.852 -3.716
170 HA GLU 26 HA GLU 26 5.392 -11.396 -3.426
171 HB2 GLU 26 1HB GLU 26 5.170 -9.200 -1.362
172 HB3 GLU 26 2HB GLU 26 5.618 -10.861 -0.965
173 HG2 GLU 26 1HG GLU 26 7.563 -10.748 -2.398
174 HG3 GLU 26 2HG GLU 26 7.071 -9.174 -3.021
175 H PHE 27 H PHE 27 4.407 -12.536 -1.403
176 HA PHE 27 HA PHE 27 1.736 -13.177 -1.998
177 HB2 PHE 27 2HB PHE 27 3.291 -14.708 -0.820
178 HB3 PHE 27 1HB PHE 27 3.215 -13.663 0.601
179 HD1 PHE 27 1HD PHE 27 1.066 -15.636 -1.736
180 HD2 PHE 27 2HD PHE 27 1.474 -13.915 2.178
181 HE1 PHE 27 1HE PHE 27 -1.018 -16.773 -1.020
182 HE2 PHE 27 2HE PHE 27 -0.611 -15.051 2.894
183 HZ PHE 27 HZ PHE 27 -1.856 -16.480 1.295
184 H ILE 28 H ILE 28 3.145 -11.036 0.414
185 HA ILE 28 HA ILE 28 0.457 -9.937 0.959
186 HB ILE 28 HB ILE 28 1.698 -9.400 3.277
187 HG12 ILE 28 1HG1 ILE 28 2.950 -11.433 3.991
188 HG13 ILE 28 2HG1 ILE 28 2.878 -12.047 2.344
189 HG21 ILE 28 1HG2 ILE 28 0.150 -11.828 2.388
190 HG22 ILE 28 2HG2 ILE 28 -0.422 -10.420 3.284
191 HG23 ILE 28 3HG2 ILE 28 0.614 -11.608 4.075
192 HD11 ILE 28 3HD1 ILE 28 5.036 -10.916 2.813
193 HD12 ILE 28 1HD1 ILE 28 4.164 -9.431 3.178
194 HD13 ILE 28 2HD1 ILE 28 4.138 -10.088 1.545
195 HA PRO 29 HA PRO 29 3.347 -6.668 -0.737
196 HB2 PRO 29 2HB PRO 29 0.685 -5.665 -1.592
197 HB3 PRO 29 1HB PRO 29 2.185 -5.793 -2.515
198 HG2 PRO 29 2HG PRO 29 0.175 -7.465 -2.927
199 HG3 PRO 29 1HG PRO 29 1.856 -8.039 -2.977
200 HD2 PRO 29 2HD PRO 29 -0.197 -8.377 -0.816
201 HD3 PRO 29 1HD PRO 29 1.045 -9.512 -1.379
202 H HIS 30 H HIS 30 3.788 -4.729 0.250
203 HA HIS 30 HA HIS 30 1.737 -3.678 2.119
204 HB2 HIS 30 1HB HIS 30 4.740 -3.740 2.472
205 HB3 HIS 30 2HB HIS 30 3.646 -2.820 3.477
206 HD1 HIS 30 HD1 HIS 30 5.210 -6.051 3.334
207 HD2 HIS 30 HD2 HIS 30 1.512 -4.629 4.623
208 HE1 HIS 30 HE1 HIS 30 4.249 -7.828 4.864
209 H CYS 31 H CYS 31 1.515 -1.432 2.271
210 HA CYS 31 HA CYS 31 2.055 -0.020 -0.156
211 HB2 CYS 31 2HB CYS 31 0.408 0.363 2.082
212 HB3 CYS 31 1HB CYS 31 1.468 1.749 2.028
213 H LYS 32 H LYS 32 4.091 0.473 -0.687
214 HA LYS 32 HA LYS 32 5.857 1.655 1.389
215 HB2 LYS 32 1HB LYS 32 6.593 0.371 -1.231
216 HB3 LYS 32 2HB LYS 32 7.727 0.977 -0.037
217 HG2 LYS 32 1HG LYS 32 5.733 -1.253 0.365
218 HG3 LYS 32 2HG LYS 32 7.456 -1.464 0.119
219 HD2 LYS 32 1HD LYS 32 7.662 0.177 2.178
220 HD3 LYS 32 2HD LYS 32 6.015 -0.359 2.516
221 HE2 LYS 32 1HE LYS 32 7.522 -1.819 3.712
222 HE3 LYS 32 2HE LYS 32 6.841 -2.735 2.369
223 HZ1 LYS 32 3HZ LYS 32 9.394 -2.727 2.802
224 HZ2 LYS 32 1HZ LYS 32 9.338 -1.258 1.956
225 HZ3 LYS 32 2HZ LYS 32 8.791 -2.685 1.214
226 H LYS 33 H LYS 33 6.377 3.735 1.204
227 HA LYS 33 HA LYS 33 5.297 5.333 -0.890
228 HB2 LYS 33 1HB LYS 33 6.042 5.873 1.640
229 HB3 LYS 33 2HB LYS 33 7.493 6.406 0.808
230 HG2 LYS 33 1HG LYS 33 6.229 7.949 -0.565
231 HG3 LYS 33 2HG LYS 33 4.700 7.325 0.058
232 HD2 LYS 33 1HD LYS 33 5.493 8.025 2.376
233 HD3 LYS 33 2HD LYS 33 6.803 8.887 1.568
234 HE2 LYS 33 1HE LYS 33 5.202 10.218 0.301
235 HE3 LYS 33 2HE LYS 33 3.855 9.305 0.989
236 HZ1 LYS 33 3HZ LYS 33 5.661 10.423 2.943
237 HZ2 LYS 33 1HZ LYS 33 3.966 10.442 2.897
238 HZ3 LYS 33 2HZ LYS 33 4.851 11.591 2.011
239 H TYR 34 H TYR 34 6.141 5.934 -2.759
240 HA TYR 34 HA TYR 34 9.015 5.950 -3.215
241 HB2 TYR 34 2HB TYR 34 9.013 4.419 -4.976
242 HB3 TYR 34 1HB TYR 34 8.006 3.646 -3.768
243 HD1 TYR 34 1HD TYR 34 8.195 3.900 -7.092
244 HD2 TYR 34 2HD TYR 34 5.398 4.941 -3.997
245 HE1 TYR 34 1HE TYR 34 6.341 3.819 -8.723
246 HE2 TYR 34 2HE TYR 34 3.562 4.845 -5.623
247 HH TYR 34 HH TYR 34 3.040 4.729 -7.786
248 H LYS 35 H LYS 35 9.561 6.985 -5.232
249 HA LYS 35 HA LYS 35 9.436 9.018 -6.355
250 HB2 LYS 35 1HB LYS 35 7.474 7.070 -7.473
251 HB3 LYS 35 2HB LYS 35 7.522 8.697 -8.133
252 HG2 LYS 35 1HG LYS 35 9.034 7.185 -9.372
253 HG3 LYS 35 2HG LYS 35 9.923 8.482 -8.578
254 HD2 LYS 35 1HD LYS 35 10.578 7.014 -6.770
255 HD3 LYS 35 2HD LYS 35 9.543 5.728 -7.381
256 HE2 LYS 35 1HE LYS 35 10.890 5.573 -9.420
257 HE3 LYS 35 2HE LYS 35 11.899 6.912 -8.874
258 HZ1 LYS 35 3HZ LYS 35 11.561 4.359 -7.401
259 HZ2 LYS 35 1HZ LYS 35 12.626 5.620 -7.014
260 HZ3 LYS 35 2HZ LYS 35 12.870 4.707 -8.426
261 HA PRO 36 HA PRO 36 5.967 10.599 -3.548
262 HB2 PRO 36 2HB PRO 36 8.078 12.697 -3.318
263 HB3 PRO 36 1HB PRO 36 7.034 12.005 -2.064
264 HG2 PRO 36 2HG PRO 36 9.594 11.322 -2.263
265 HG3 PRO 36 1HG PRO 36 8.353 10.145 -1.800
266 HD2 PRO 36 2HD PRO 36 9.816 10.418 -4.387
267 HD3 PRO 36 1HD PRO 36 9.159 8.965 -3.601
268 H TYR 37 H TYR 37 8.109 12.859 -5.240
269 HA TYR 37 HA TYR 37 5.906 13.669 -6.999
270 HB2 TYR 37 2HB TYR 37 7.486 15.600 -5.283
271 HB3 TYR 37 1HB TYR 37 6.332 16.056 -6.539
272 HD1 TYR 37 1HD TYR 37 6.736 14.609 -3.185
273 HD2 TYR 37 2HD TYR 37 3.927 15.677 -6.254
274 HE1 TYR 37 1HE TYR 37 4.876 14.362 -1.566
275 HE2 TYR 37 2HE TYR 37 2.065 15.436 -4.633
276 HH TYR 37 HH TYR 37 1.643 14.193 -2.487
277 H VAL 38 H VAL 38 6.625 14.978 -8.829
278 HA VAL 38 HA VAL 38 9.507 14.686 -9.423
279 HB VAL 38 HB VAL 38 8.928 14.109 -11.739
280 HG11 VAL 38 1HG1 VAL 38 9.280 12.348 -10.003
281 HG12 VAL 38 2HG1 VAL 38 8.182 11.830 -11.284
282 HG13 VAL 38 3HG1 VAL 38 7.539 12.324 -9.717
283 HG21 VAL 38 3HG2 VAL 38 6.308 14.937 -10.830
284 HG22 VAL 38 1HG2 VAL 38 6.236 13.295 -11.473
285 HG23 VAL 38 2HG2 VAL 38 6.856 14.608 -12.474
286 HA PRO 39 HA PRO 39 7.911 19.007 -10.223
287 HB2 PRO 39 2HB PRO 39 9.660 20.324 -8.599
288 HB3 PRO 39 1HB PRO 39 8.116 19.668 -8.024
289 HG2 PRO 39 2HG PRO 39 10.863 18.568 -7.737
290 HG3 PRO 39 1HG PRO 39 9.522 18.579 -6.580
291 HD2 PRO 39 2HD PRO 39 10.214 16.388 -8.083
292 HD3 PRO 39 1HD PRO 39 8.576 16.668 -7.455
293 H VAL 40 H VAL 40 8.986 20.699 -11.408
294 HA VAL 40 HA VAL 40 11.443 19.762 -12.734
295 HB VAL 40 HB VAL 40 9.436 21.880 -13.543
296 HG11 VAL 40 1HG1 VAL 40 12.082 21.012 -14.625
297 HG12 VAL 40 2HG1 VAL 40 11.345 22.613 -14.617
298 HG13 VAL 40 3HG1 VAL 40 10.807 21.401 -15.780
299 HG21 VAL 40 3HG2 VAL 40 9.255 19.104 -13.677
300 HG22 VAL 40 1HG2 VAL 40 9.840 19.561 -15.278
301 HG23 VAL 40 2HG2 VAL 40 8.338 20.245 -14.658
302 H THR 41 H THR 41 13.323 20.675 -12.250
303 HA THR 41 HA THR 41 13.507 22.890 -10.444
304 HB THR 41 HB THR 41 15.183 21.060 -10.525
305 HG1 THR 41 1HG THR 41 15.612 23.683 -10.437
306 HG21 THR 41 3HG2 THR 41 15.044 21.233 -13.197
307 HG22 THR 41 1HG2 THR 41 16.473 20.609 -12.373
308 HG23 THR 41 2HG2 THR 41 16.440 22.280 -12.934
309 H THR 42 H THR 42 14.222 24.982 -10.835
310 HA THR 42 HA THR 42 13.709 25.956 -13.541
311 HB THR 42 HB THR 42 12.637 27.277 -11.909
312 HG1 THR 42 1HG THR 42 14.676 28.997 -11.849
313 HG21 THR 42 3HG2 THR 42 14.220 28.272 -10.034
314 HG22 THR 42 1HG2 THR 42 15.169 26.828 -10.380
315 HG23 THR 42 2HG2 THR 42 13.497 26.676 -9.843
Start of MODEL 6
1 HA ASP 1 HA ASP 1 -10.802 2.009 6.028
2 HB2 ASP 1 1HB ASP 1 -13.065 1.684 4.043
3 HB3 ASP 1 2HB ASP 1 -12.113 0.325 4.638
4 H CYS 2 H CYS 2 -8.746 2.344 5.227
5 HA CYS 2 HA CYS 2 -8.239 1.315 2.554
6 HB2 CYS 2 2HB CYS 2 -6.878 3.269 1.898
7 HB3 CYS 2 1HB CYS 2 -8.575 3.692 2.094
8 H ALA 3 H ALA 3 -5.913 0.988 2.152
9 HA ALA 3 HA ALA 3 -4.602 0.027 4.533
10 HB1 ALA 3 3HB ALA 3 -3.902 -1.417 2.960
11 HB2 ALA 3 1HB ALA 3 -2.766 -0.161 2.468
12 HB3 ALA 3 2HB ALA 3 -4.322 -0.314 1.651
13 H LYS 4 H LYS 4 -2.627 0.732 5.378
14 HA LYS 4 HA LYS 4 -1.846 3.485 4.612
15 HB2 LYS 4 1HB LYS 4 -1.788 2.110 7.304
16 HB3 LYS 4 2HB LYS 4 -1.037 3.671 6.969
17 HG2 LYS 4 1HG LYS 4 -3.159 4.656 6.383
18 HG3 LYS 4 2HG LYS 4 -3.960 3.086 6.440
19 HD2 LYS 4 1HD LYS 4 -4.496 4.206 8.496
20 HD3 LYS 4 2HD LYS 4 -3.318 2.957 8.883
21 HE2 LYS 4 1HE LYS 4 -1.528 4.571 9.000
22 HE3 LYS 4 2HE LYS 4 -2.564 5.844 8.352
23 HZ1 LYS 4 3HZ LYS 4 -2.151 5.441 10.948
24 HZ2 LYS 4 1HZ LYS 4 -3.542 4.497 10.725
25 HZ3 LYS 4 2HZ LYS 4 -3.563 6.148 10.321
26 H GLU 5 H GLU 5 0.492 3.964 5.332
27 HA GLU 5 HA GLU 5 2.280 2.480 3.850
28 HB2 GLU 5 1HB GLU 5 2.810 4.704 4.706
29 HB3 GLU 5 2HB GLU 5 2.845 4.082 6.356
30 HG2 GLU 5 1HG GLU 5 4.752 2.691 5.873
31 HG3 GLU 5 2HG GLU 5 4.646 3.052 4.151
32 H GLY 6 H GLY 6 3.176 0.553 4.036
33 HA2 GLY 6 1HA GLY 6 4.148 -1.308 5.006
34 HA3 GLY 6 2HA GLY 6 3.888 -0.594 6.586
35 H GLU 7 H GLU 7 1.020 -0.424 4.901
36 HA GLU 7 HA GLU 7 -0.029 -2.709 6.408
37 HB2 GLU 7 1HB GLU 7 -1.113 -0.407 6.506
38 HB3 GLU 7 2HB GLU 7 -1.629 -0.682 4.841
39 HG2 GLU 7 1HG GLU 7 -2.896 -2.632 5.470
40 HG3 GLU 7 2HG GLU 7 -2.245 -2.589 7.109
41 H VAL 8 H VAL 8 -1.236 -4.367 5.461
42 HA VAL 8 HA VAL 8 -0.285 -5.345 3.039
43 HB VAL 8 HB VAL 8 -2.880 -6.024 4.438
44 HG11 VAL 8 1HG1 VAL 8 -2.642 -8.185 3.226
45 HG12 VAL 8 2HG1 VAL 8 -1.260 -7.524 2.355
46 HG13 VAL 8 3HG1 VAL 8 -2.864 -6.831 2.121
47 HG21 VAL 8 3HG2 VAL 8 -0.622 -7.884 4.620
48 HG22 VAL 8 1HG2 VAL 8 -1.660 -7.252 5.898
49 HG23 VAL 8 2HG2 VAL 8 -0.272 -6.314 5.347
50 H CYS 9 H CYS 9 -0.960 -5.256 0.925
51 HA CYS 9 HA CYS 9 -3.418 -3.706 0.364
52 HB2 CYS 9 2HB CYS 9 -2.209 -2.600 -1.526
53 HB3 CYS 9 1HB CYS 9 -1.604 -2.136 0.063
54 H SER 10 H SER 10 -4.343 -4.112 -1.729
55 HA SER 10 HA SER 10 -4.952 -5.406 -3.537
56 HB2 SER 10 1HB SER 10 -2.358 -5.472 -3.813
57 HB3 SER 10 2HB SER 10 -2.522 -7.126 -3.248
58 HG SER 10 HG SER 10 -3.196 -5.992 -5.640
59 H TRP 11 H TRP 11 -3.490 -7.155 -0.837
60 HA TRP 11 HA TRP 11 -4.693 -9.645 -1.206
61 HB2 TRP 11 2HB TRP 11 -2.957 -8.837 0.573
62 HB3 TRP 11 1HB TRP 11 -4.387 -8.471 1.536
63 HD1 TRP 11 1HD TRP 11 -2.428 -11.365 0.051
64 HE1 TRP 11 1HE TRP 11 -3.281 -13.569 1.075
65 HE3 TRP 11 3HE TRP 11 -6.483 -9.627 2.609
66 HZ2 TRP 11 2HZ TRP 11 -5.411 -14.477 2.764
67 HZ3 TRP 11 3HZ TRP 11 -7.909 -11.178 3.918
68 HH2 TRP 11 2HH TRP 11 -7.377 -13.598 3.998
69 H GLY 12 H GLY 12 -6.192 -6.707 -0.818
70 HA2 GLY 12 1HA GLY 12 -8.762 -7.277 -1.026
71 HA3 GLY 12 2HA GLY 12 -8.507 -7.738 0.654
72 H LYS 13 H LYS 13 -6.370 -5.312 0.021
73 HA LYS 13 HA LYS 13 -8.275 -3.169 0.738
74 HB2 LYS 13 1HB LYS 13 -5.591 -3.727 2.026
75 HB3 LYS 13 2HB LYS 13 -6.553 -2.273 2.299
76 HG2 LYS 13 1HG LYS 13 -8.421 -3.668 3.125
77 HG3 LYS 13 2HG LYS 13 -7.446 -5.116 2.870
78 HD2 LYS 13 1HD LYS 13 -5.772 -4.291 4.471
79 HD3 LYS 13 2HD LYS 13 -6.714 -2.820 4.712
80 HE2 LYS 13 1HE LYS 13 -7.181 -4.395 6.526
81 HE3 LYS 13 2HE LYS 13 -8.618 -4.208 5.522
82 HZ1 LYS 13 3HZ LYS 13 -7.629 -6.564 6.190
83 HZ2 LYS 13 1HZ LYS 13 -6.758 -6.310 4.756
84 HZ3 LYS 13 2HZ LYS 13 -8.456 -6.297 4.730
85 H LYS 14 H LYS 14 -7.746 -1.105 0.019
86 HA LYS 14 HA LYS 14 -5.672 -1.009 -2.095
87 HB2 LYS 14 1HB LYS 14 -8.158 0.670 -1.703
88 HB3 LYS 14 2HB LYS 14 -6.987 0.880 -3.005
89 HG2 LYS 14 1HG LYS 14 -7.409 -1.503 -3.683
90 HG3 LYS 14 2HG LYS 14 -8.701 -1.568 -2.488
91 HD2 LYS 14 1HD LYS 14 -8.618 0.506 -4.696
92 HD3 LYS 14 2HD LYS 14 -9.430 -1.048 -4.877
93 HE2 LYS 14 1HE LYS 14 -10.792 -0.496 -2.831
94 HE3 LYS 14 2HE LYS 14 -10.076 1.114 -2.850
95 HZ1 LYS 14 3HZ LYS 14 -12.004 -0.078 -4.682
96 HZ2 LYS 14 1HZ LYS 14 -10.862 0.986 -5.345
97 HZ3 LYS 14 2HZ LYS 14 -11.893 1.515 -4.102
98 H CYS 15 H CYS 15 -4.054 0.361 -1.952
99 HA CYS 15 HA CYS 15 -3.345 1.552 0.477
100 HB2 CYS 15 2HB CYS 15 -2.042 0.975 -1.793
101 HB3 CYS 15 1HB CYS 15 -2.299 2.694 -2.052
102 H CYS 16 H CYS 16 -4.025 3.361 1.430
103 HA CYS 16 HA CYS 16 -6.086 4.959 0.522
104 HB2 CYS 16 2HB CYS 16 -4.584 4.778 2.826
105 HB3 CYS 16 1HB CYS 16 -4.194 6.388 2.238
106 H ASP 17 H ASP 17 -2.605 5.475 0.215
107 HA ASP 17 HA ASP 17 -2.901 8.030 -1.077
108 HB2 ASP 17 1HB ASP 17 -0.564 6.149 -0.742
109 HB3 ASP 17 2HB ASP 17 -0.438 7.708 -1.554
110 H LEU 18 H LEU 18 -2.255 4.716 -2.155
111 HA LEU 18 HA LEU 18 -2.048 3.815 -4.275
112 HB2 LEU 18 1HB LEU 18 -4.613 5.207 -3.992
113 HB3 LEU 18 2HB LEU 18 -4.140 4.950 -5.670
114 HG LEU 18 HG LEU 18 -4.011 2.747 -3.611
115 HD11 LEU 18 1HD1 LEU 18 -6.321 3.751 -5.249
116 HD12 LEU 18 2HD1 LEU 18 -6.305 3.201 -3.573
117 HD13 LEU 18 3HD1 LEU 18 -6.188 2.030 -4.886
118 HD21 LEU 18 3HD2 LEU 18 -4.582 2.122 -6.418
119 HD22 LEU 18 1HD2 LEU 18 -3.352 1.448 -5.351
120 HD23 LEU 18 2HD2 LEU 18 -3.043 2.958 -6.207
121 H ASP 19 H ASP 19 -0.766 6.510 -3.768
122 HA ASP 19 HA ASP 19 -0.280 7.154 -6.609
123 HB2 ASP 19 1HB ASP 19 -1.807 8.841 -5.688
124 HB3 ASP 19 2HB ASP 19 -0.673 9.155 -4.378
125 H ASN 20 H ASN 20 0.869 8.301 -3.434
126 HA ASN 20 HA ASN 20 3.614 8.299 -4.361
127 HB2 ASN 20 1HB ASN 20 2.421 8.868 -1.641
128 HB3 ASN 20 2HB ASN 20 4.106 9.100 -2.068
129 HD21 ASN 20 1HD2 ASN 20 1.616 12.060 -2.721
130 HD22 ASN 20 2HD2 ASN 20 1.426 10.834 -1.570
131 H PHE 21 H PHE 21 1.543 5.985 -3.174
132 HA PHE 21 HA PHE 21 3.800 4.362 -2.173
133 HB2 PHE 21 2HB PHE 21 0.923 4.428 -1.251
134 HB3 PHE 21 1HB PHE 21 2.066 3.169 -0.791
135 HD1 PHE 21 1HD PHE 21 1.729 6.903 -0.871
136 HD2 PHE 21 2HD PHE 21 3.431 3.480 1.098
137 HE1 PHE 21 1HE PHE 21 2.604 8.368 0.922
138 HE2 PHE 21 2HE PHE 21 4.310 4.957 2.886
139 HZ PHE 21 HZ PHE 21 3.898 7.394 2.800
140 H TYR 22 H TYR 22 3.831 2.179 -2.776
141 HA TYR 22 HA TYR 22 1.965 1.450 -4.956
142 HB2 TYR 22 2HB TYR 22 3.747 0.416 -6.140
143 HB3 TYR 22 1HB TYR 22 4.362 1.987 -5.646
144 HD1 TYR 22 1HD TYR 22 4.551 -1.650 -5.059
145 HD2 TYR 22 2HD TYR 22 6.012 2.209 -3.909
146 HE1 TYR 22 1HE TYR 22 6.486 -2.682 -4.026
147 HE2 TYR 22 2HE TYR 22 7.931 1.175 -2.849
148 HH TYR 22 HH TYR 22 8.754 -0.828 -2.056
149 H CYS 23 H CYS 23 1.658 -0.853 -5.241
150 HA CYS 23 HA CYS 23 1.751 -2.246 -2.653
151 HB2 CYS 23 2HB CYS 23 -0.467 -1.902 -3.772
152 HB3 CYS 23 1HB CYS 23 0.089 -2.967 -5.068
153 HA PRO 24 HA PRO 24 5.175 -4.503 -4.717
154 HB2 PRO 24 2HB PRO 24 4.861 -6.210 -2.299
155 HB3 PRO 24 1HB PRO 24 6.321 -5.470 -2.976
156 HG2 PRO 24 2HG PRO 24 5.164 -4.509 -0.796
157 HG3 PRO 24 1HG PRO 24 5.932 -3.457 -1.972
158 HD2 PRO 24 2HD PRO 24 3.038 -3.912 -1.450
159 HD3 PRO 24 1HD PRO 24 3.879 -2.461 -2.016
160 H MET 25 H MET 25 5.564 -6.796 -5.328
161 HA MET 25 HA MET 25 3.008 -8.228 -5.767
162 HB2 MET 25 1HB MET 25 4.166 -7.371 -7.815
163 HB3 MET 25 2HB MET 25 5.538 -8.406 -7.415
164 HG2 MET 25 1HG MET 25 4.108 -10.392 -7.532
165 HG3 MET 25 2HG MET 25 2.700 -9.381 -7.859
166 HE1 MET 25 3HE MET 25 3.318 -11.714 -9.381
167 HE2 MET 25 1HE MET 25 3.586 -11.400 -11.101
168 HE3 MET 25 2HE MET 25 2.172 -10.732 -10.288
169 H GLU 26 H GLU 26 3.131 -9.401 -3.807
170 HA GLU 26 HA GLU 26 4.793 -11.764 -3.962
171 HB2 GLU 26 1HB GLU 26 5.883 -9.671 -2.587
172 HB3 GLU 26 2HB GLU 26 4.994 -10.499 -1.306
173 HG2 GLU 26 1HG GLU 26 6.088 -12.637 -1.973
174 HG3 GLU 26 2HG GLU 26 7.026 -11.758 -3.176
175 H PHE 27 H PHE 27 4.404 -12.760 -1.457
176 HA PHE 27 HA PHE 27 1.756 -13.702 -1.548
177 HB2 PHE 27 2HB PHE 27 3.652 -14.917 -0.488
178 HB3 PHE 27 1HB PHE 27 3.645 -13.734 0.819
179 HD1 PHE 27 1HD PHE 27 1.380 -16.085 -1.002
180 HD2 PHE 27 2HD PHE 27 2.263 -14.091 2.697
181 HE1 PHE 27 1HE PHE 27 -0.426 -17.363 0.115
182 HE2 PHE 27 2HE PHE 27 0.453 -15.365 3.815
183 HZ PHE 27 HZ PHE 27 -0.892 -17.000 2.523
184 H ILE 28 H ILE 28 3.294 -11.315 0.606
185 HA ILE 28 HA ILE 28 0.619 -10.226 1.191
186 HB ILE 28 HB ILE 28 1.534 -9.784 3.540
187 HG12 ILE 28 1HG1 ILE 28 3.387 -12.060 2.783
188 HG13 ILE 28 2HG1 ILE 28 3.909 -10.383 2.866
189 HG21 ILE 28 1HG2 ILE 28 0.581 -12.333 2.350
190 HG22 ILE 28 2HG2 ILE 28 -0.127 -11.355 3.636
191 HG23 ILE 28 3HG2 ILE 28 1.220 -12.436 3.990
192 HD11 ILE 28 3HD1 ILE 28 2.798 -12.058 5.130
193 HD12 ILE 28 1HD1 ILE 28 3.066 -10.318 5.243
194 HD13 ILE 28 2HD1 ILE 28 4.430 -11.407 4.986
195 HA PRO 29 HA PRO 29 3.587 -6.957 -0.384
196 HB2 PRO 29 2HB PRO 29 0.938 -5.990 -1.329
197 HB3 PRO 29 1HB PRO 29 2.484 -6.040 -2.186
198 HG2 PRO 29 2HG PRO 29 0.560 -7.757 -2.751
199 HG3 PRO 29 1HG PRO 29 2.252 -8.299 -2.693
200 HD2 PRO 29 2HD PRO 29 0.071 -8.701 -0.659
201 HD3 PRO 29 1HD PRO 29 1.359 -9.819 -1.161
202 H HIS 30 H HIS 30 3.835 -4.846 0.413
203 HA HIS 30 HA HIS 30 1.703 -3.884 2.223
204 HB2 HIS 30 1HB HIS 30 4.667 -3.862 2.832
205 HB3 HIS 30 2HB HIS 30 3.409 -3.106 3.801
206 HD1 HIS 30 HD1 HIS 30 4.873 -6.438 2.960
207 HD2 HIS 30 HD2 HIS 30 1.689 -4.921 5.182
208 HE1 HIS 30 HE1 HIS 30 4.033 -8.346 4.401
209 H CYS 31 H CYS 31 1.321 -1.717 2.206
210 HA CYS 31 HA CYS 31 2.004 -0.206 -0.058
211 HB2 CYS 31 2HB CYS 31 0.885 0.461 2.635
212 HB3 CYS 31 1HB CYS 31 1.335 1.766 1.550
213 H LYS 32 H LYS 32 3.821 0.817 -0.620
214 HA LYS 32 HA LYS 32 5.653 1.733 1.499
215 HB2 LYS 32 1HB LYS 32 6.463 -0.433 0.648
216 HB3 LYS 32 2HB LYS 32 6.449 0.204 -0.970
217 HG2 LYS 32 1HG LYS 32 8.719 0.323 -0.158
218 HG3 LYS 32 2HG LYS 32 8.103 1.965 -0.236
219 HD2 LYS 32 1HD LYS 32 7.820 2.103 2.112
220 HD3 LYS 32 2HD LYS 32 7.919 0.353 2.313
221 HE2 LYS 32 1HE LYS 32 10.014 1.363 3.041
222 HE3 LYS 32 2HE LYS 32 10.300 0.451 1.562
223 HZ1 LYS 32 3HZ LYS 32 9.566 3.264 1.286
224 HZ2 LYS 32 1HZ LYS 32 10.623 2.323 0.351
225 HZ3 LYS 32 2HZ LYS 32 11.128 2.921 1.861
226 H LYS 33 H LYS 33 6.540 3.692 1.157
227 HA LYS 33 HA LYS 33 5.574 5.308 -0.984
228 HB2 LYS 33 1HB LYS 33 6.052 6.253 1.223
229 HB3 LYS 33 2HB LYS 33 7.763 5.871 1.025
230 HG2 LYS 33 1HG LYS 33 7.952 7.377 -0.855
231 HG3 LYS 33 2HG LYS 33 6.206 7.634 -0.888
232 HD2 LYS 33 1HD LYS 33 7.529 8.207 1.700
233 HD3 LYS 33 2HD LYS 33 7.941 9.300 0.378
234 HE2 LYS 33 1HE LYS 33 5.086 8.575 1.069
235 HE3 LYS 33 2HE LYS 33 5.908 9.975 1.756
236 HZ1 LYS 33 3HZ LYS 33 6.222 10.883 -0.403
237 HZ2 LYS 33 1HZ LYS 33 4.588 10.452 -0.273
238 HZ3 LYS 33 2HZ LYS 33 5.656 9.469 -1.156
239 H TYR 34 H TYR 34 6.492 5.879 -2.860
240 HA TYR 34 HA TYR 34 9.295 5.367 -3.387
241 HB2 TYR 34 2HB TYR 34 8.963 3.936 -5.225
242 HB3 TYR 34 1HB TYR 34 8.035 3.262 -3.906
243 HD1 TYR 34 1HD TYR 34 7.887 3.545 -7.241
244 HD2 TYR 34 2HD TYR 34 5.513 4.777 -3.877
245 HE1 TYR 34 1HE TYR 34 5.877 3.660 -8.670
246 HE2 TYR 34 2HE TYR 34 3.528 4.898 -5.309
247 HH TYR 34 HH TYR 34 3.383 3.539 -8.386
248 H LYS 35 H LYS 35 9.822 6.087 -5.667
249 HA LYS 35 HA LYS 35 8.123 8.362 -6.476
250 HB2 LYS 35 1HB LYS 35 10.374 9.505 -7.023
251 HB3 LYS 35 2HB LYS 35 9.831 9.474 -5.350
252 HG2 LYS 35 1HG LYS 35 11.535 7.213 -6.332
253 HG3 LYS 35 2HG LYS 35 12.312 8.758 -6.001
254 HD2 LYS 35 1HD LYS 35 11.278 8.718 -3.705
255 HD3 LYS 35 2HD LYS 35 10.698 7.083 -4.041
256 HE2 LYS 35 1HE LYS 35 12.792 6.884 -2.866
257 HE3 LYS 35 2HE LYS 35 13.078 6.433 -4.548
258 HZ1 LYS 35 3HZ LYS 35 13.384 9.237 -4.122
259 HZ2 LYS 35 1HZ LYS 35 14.463 8.131 -4.818
260 HZ3 LYS 35 2HZ LYS 35 14.430 8.338 -3.133
261 HA PRO 36 HA PRO 36 9.142 5.850 -10.204
262 HB2 PRO 36 2HB PRO 36 6.743 6.122 -11.461
263 HB3 PRO 36 1HB PRO 36 7.049 4.901 -10.216
264 HG2 PRO 36 2HG PRO 36 5.577 7.462 -10.036
265 HG3 PRO 36 1HG PRO 36 5.287 5.931 -9.196
266 HD2 PRO 36 2HD PRO 36 6.537 8.164 -8.091
267 HD3 PRO 36 1HD PRO 36 6.656 6.512 -7.446
268 H TYR 37 H TYR 37 9.291 8.895 -9.618
269 HA TYR 37 HA TYR 37 9.979 10.739 -10.803
270 HB2 TYR 37 2HB TYR 37 9.751 9.168 -13.367
271 HB3 TYR 37 1HB TYR 37 10.835 10.499 -12.979
272 HD1 TYR 37 1HD TYR 37 10.618 6.997 -13.277
273 HD2 TYR 37 2HD TYR 37 12.389 10.070 -10.852
274 HE1 TYR 37 1HE TYR 37 12.332 5.389 -12.492
275 HE2 TYR 37 2HE TYR 37 14.104 8.460 -10.068
276 HH TYR 37 HH TYR 37 14.030 5.049 -11.090
277 H VAL 38 H VAL 38 7.098 9.749 -10.506
278 HA VAL 38 HA VAL 38 5.935 11.790 -12.273
279 HB VAL 38 HB VAL 38 4.692 9.058 -11.878
280 HG11 VAL 38 1HG1 VAL 38 3.196 9.821 -13.684
281 HG12 VAL 38 2HG1 VAL 38 4.043 11.368 -13.738
282 HG13 VAL 38 3HG1 VAL 38 3.119 10.919 -12.305
283 HG21 VAL 38 3HG2 VAL 38 5.264 8.974 -14.431
284 HG22 VAL 38 1HG2 VAL 38 6.531 8.600 -13.265
285 HG23 VAL 38 2HG2 VAL 38 6.477 10.189 -14.027
286 HA PRO 39 HA PRO 39 4.712 12.114 -7.755
287 HB2 PRO 39 2HB PRO 39 4.910 14.976 -8.571
288 HB3 PRO 39 1HB PRO 39 5.498 14.182 -7.096
289 HG2 PRO 39 2HG PRO 39 7.191 14.898 -8.990
290 HG3 PRO 39 1HG PRO 39 7.390 13.355 -8.140
291 HD2 PRO 39 2HD PRO 39 6.288 13.856 -10.893
292 HD3 PRO 39 1HD PRO 39 7.356 12.549 -10.330
293 H VAL 40 H VAL 40 3.644 13.804 -10.642
294 HA VAL 40 HA VAL 40 0.851 13.596 -9.702
295 HB VAL 40 HB VAL 40 0.373 15.800 -10.687
296 HG11 VAL 40 1HG1 VAL 40 1.323 15.379 -8.261
297 HG12 VAL 40 2HG1 VAL 40 1.156 17.027 -8.867
298 HG13 VAL 40 3HG1 VAL 40 2.733 16.237 -8.882
299 HG21 VAL 40 3HG2 VAL 40 2.440 17.229 -11.217
300 HG22 VAL 40 1HG2 VAL 40 2.015 15.996 -12.405
301 HG23 VAL 40 2HG2 VAL 40 3.340 15.713 -11.276
302 H THR 41 H THR 41 -0.738 13.658 -11.453
303 HA THR 41 HA THR 41 0.359 12.524 -13.958
304 HB THR 41 HB THR 41 -2.342 12.072 -12.666
305 HG1 THR 41 1HG THR 41 0.098 10.862 -12.488
306 HG21 THR 41 3HG2 THR 41 -2.963 11.511 -14.761
307 HG22 THR 41 1HG2 THR 41 -1.870 10.134 -14.606
308 HG23 THR 41 2HG2 THR 41 -1.306 11.625 -15.359
309 H THR 42 H THR 42 0.011 13.611 -15.786
310 HA THR 42 HA THR 42 -1.210 16.163 -15.815
311 HB THR 42 HB THR 42 -0.870 16.079 -18.237
312 HG1 THR 42 1HG THR 42 -0.328 13.344 -17.725
313 HG21 THR 42 3HG2 THR 42 1.442 14.657 -16.910
314 HG22 THR 42 1HG2 THR 42 1.065 16.349 -16.589
315 HG23 THR 42 2HG2 THR 42 1.502 15.837 -18.219
Start of MODEL 7
1 HA ASP 1 HA ASP 1 -11.632 2.540 5.659
2 HB2 ASP 1 1HB ASP 1 -11.436 4.931 3.918
3 HB3 ASP 1 2HB ASP 1 -12.864 4.072 4.493
4 H CYS 2 H CYS 2 -8.502 3.081 5.391
5 HA CYS 2 HA CYS 2 -8.239 1.534 2.955
6 HB2 CYS 2 2HB CYS 2 -6.607 3.171 1.972
7 HB3 CYS 2 1HB CYS 2 -8.282 3.695 1.929
8 H ALA 3 H ALA 3 -5.952 0.941 2.535
9 HA ALA 3 HA ALA 3 -4.692 0.162 4.981
10 HB1 ALA 3 3HB ALA 3 -4.552 -0.595 2.243
11 HB2 ALA 3 1HB ALA 3 -3.832 -1.403 3.635
12 HB3 ALA 3 2HB ALA 3 -2.921 -0.170 2.767
13 H LYS 4 H LYS 4 -2.956 1.012 6.005
14 HA LYS 4 HA LYS 4 -2.018 3.637 5.084
15 HB2 LYS 4 1HB LYS 4 -1.641 2.173 7.712
16 HB3 LYS 4 2HB LYS 4 -1.026 3.789 7.362
17 HG2 LYS 4 1HG LYS 4 -3.332 4.566 6.929
18 HG3 LYS 4 2HG LYS 4 -3.942 2.955 7.305
19 HD2 LYS 4 1HD LYS 4 -2.965 3.136 9.581
20 HD3 LYS 4 2HD LYS 4 -2.427 4.774 9.203
21 HE2 LYS 4 1HE LYS 4 -5.311 3.836 9.136
22 HE3 LYS 4 2HE LYS 4 -4.581 4.771 10.442
23 HZ1 LYS 4 3HZ LYS 4 -5.796 6.134 8.797
24 HZ2 LYS 4 1HZ LYS 4 -4.684 5.655 7.610
25 HZ3 LYS 4 2HZ LYS 4 -4.159 6.564 8.947
26 H GLU 5 H GLU 5 0.398 4.064 5.592
27 HA GLU 5 HA GLU 5 2.011 2.576 3.911
28 HB2 GLU 5 1HB GLU 5 2.644 4.781 4.709
29 HB3 GLU 5 2HB GLU 5 2.822 4.161 6.352
30 HG2 GLU 5 1HG GLU 5 4.665 2.752 5.697
31 HG3 GLU 5 2HG GLU 5 4.404 3.108 3.992
32 H GLY 6 H GLY 6 2.976 0.678 3.993
33 HA2 GLY 6 1HA GLY 6 4.064 -1.181 4.849
34 HA3 GLY 6 2HA GLY 6 3.858 -0.539 6.462
35 H GLU 7 H GLU 7 0.902 -0.345 4.989
36 HA GLU 7 HA GLU 7 -0.023 -2.717 6.428
37 HB2 GLU 7 1HB GLU 7 -1.155 -0.454 6.656
38 HB3 GLU 7 2HB GLU 7 -1.720 -0.670 4.998
39 HG2 GLU 7 1HG GLU 7 -2.958 -2.637 5.570
40 HG3 GLU 7 2HG GLU 7 -2.220 -2.717 7.168
41 H VAL 8 H VAL 8 -1.313 -4.328 5.467
42 HA VAL 8 HA VAL 8 -0.429 -5.250 2.989
43 HB VAL 8 HB VAL 8 -2.918 -5.928 4.555
44 HG11 VAL 8 1HG1 VAL 8 -3.486 -6.649 2.397
45 HG12 VAL 8 2HG1 VAL 8 -2.689 -8.071 3.071
46 HG13 VAL 8 3HG1 VAL 8 -1.811 -7.007 1.972
47 HG21 VAL 8 3HG2 VAL 8 -0.741 -7.881 4.205
48 HG22 VAL 8 1HG2 VAL 8 -1.605 -7.412 5.671
49 HG23 VAL 8 2HG2 VAL 8 -0.261 -6.431 5.087
50 H CYS 9 H CYS 9 -1.079 -4.975 0.908
51 HA CYS 9 HA CYS 9 -3.647 -3.623 0.403
52 HB2 CYS 9 2HB CYS 9 -2.656 -1.976 -1.059
53 HB3 CYS 9 1HB CYS 9 -1.842 -1.876 0.501
54 H SER 10 H SER 10 -4.315 -3.779 -1.862
55 HA SER 10 HA SER 10 -4.573 -4.872 -3.874
56 HB2 SER 10 1HB SER 10 -1.876 -4.690 -3.636
57 HB3 SER 10 2HB SER 10 -2.081 -6.432 -3.698
58 HG SER 10 HG SER 10 -3.271 -4.604 -5.516
59 H TRP 11 H TRP 11 -3.125 -6.798 -1.289
60 HA TRP 11 HA TRP 11 -3.982 -9.334 -2.070
61 HB2 TRP 11 2HB TRP 11 -2.432 -8.844 -0.162
62 HB3 TRP 11 1HB TRP 11 -3.826 -8.314 0.776
63 HD1 TRP 11 1HD TRP 11 -2.184 -11.427 -0.676
64 HE1 TRP 11 1HE TRP 11 -3.304 -13.515 0.343
65 HE3 TRP 11 3HE TRP 11 -6.053 -9.223 1.814
66 HZ2 TRP 11 2HZ TRP 11 -5.549 -14.163 1.995
67 HZ3 TRP 11 3HZ TRP 11 -7.669 -10.593 3.100
68 HH2 TRP 11 2HH TRP 11 -7.423 -13.060 3.195
69 H GLY 12 H GLY 12 -5.863 -6.670 -1.448
70 HA2 GLY 12 1HA GLY 12 -8.317 -7.517 -1.939
71 HA3 GLY 12 2HA GLY 12 -8.121 -8.156 -0.308
72 H LYS 13 H LYS 13 -6.286 -5.416 -0.510
73 HA LYS 13 HA LYS 13 -8.486 -3.617 0.287
74 HB2 LYS 13 1HB LYS 13 -5.880 -4.048 1.762
75 HB3 LYS 13 2HB LYS 13 -7.016 -2.742 2.101
76 HG2 LYS 13 1HG LYS 13 -8.782 -4.398 2.580
77 HG3 LYS 13 2HG LYS 13 -7.647 -5.706 2.242
78 HD2 LYS 13 1HD LYS 13 -6.194 -4.926 4.077
79 HD3 LYS 13 2HD LYS 13 -7.329 -3.618 4.419
80 HE2 LYS 13 1HE LYS 13 -9.094 -5.270 4.906
81 HE3 LYS 13 2HE LYS 13 -7.966 -6.581 4.558
82 HZ1 LYS 13 3HZ LYS 13 -7.807 -6.384 6.829
83 HZ2 LYS 13 1HZ LYS 13 -7.985 -4.696 6.818
84 HZ3 LYS 13 2HZ LYS 13 -6.519 -5.401 6.324
85 H LYS 14 H LYS 14 -8.101 -1.396 -0.070
86 HA LYS 14 HA LYS 14 -6.047 -0.855 -2.106
87 HB2 LYS 14 1HB LYS 14 -8.437 0.789 -1.225
88 HB3 LYS 14 2HB LYS 14 -7.358 1.170 -2.567
89 HG2 LYS 14 1HG LYS 14 -8.000 -0.935 -3.688
90 HG3 LYS 14 2HG LYS 14 -9.063 -1.333 -2.339
91 HD2 LYS 14 1HD LYS 14 -10.571 -0.376 -3.839
92 HD3 LYS 14 2HD LYS 14 -10.127 1.020 -2.861
93 HE2 LYS 14 1HE LYS 14 -10.025 1.633 -5.219
94 HE3 LYS 14 2HE LYS 14 -8.389 1.607 -4.567
95 HZ1 LYS 14 3HZ LYS 14 -9.356 -0.907 -5.636
96 HZ2 LYS 14 1HZ LYS 14 -7.833 -0.177 -5.790
97 HZ3 LYS 14 2HZ LYS 14 -9.118 0.324 -6.781
98 H CYS 15 H CYS 15 -4.465 0.600 -1.833
99 HA CYS 15 HA CYS 15 -3.735 1.312 0.842
100 HB2 CYS 15 2HB CYS 15 -2.207 0.779 -1.177
101 HB3 CYS 15 1HB CYS 15 -2.490 2.451 -1.638
102 H CYS 16 H CYS 16 -3.614 3.373 1.752
103 HA CYS 16 HA CYS 16 -5.711 5.148 1.232
104 HB2 CYS 16 2HB CYS 16 -3.122 5.483 2.753
105 HB3 CYS 16 1HB CYS 16 -4.403 6.687 2.762
106 H ASP 17 H ASP 17 -2.323 5.236 0.257
107 HA ASP 17 HA ASP 17 -3.013 7.409 -1.633
108 HB2 ASP 17 1HB ASP 17 -0.558 7.050 0.074
109 HB3 ASP 17 2HB ASP 17 -0.541 8.051 -1.379
110 H LEU 18 H LEU 18 -3.371 5.988 -3.348
111 HA LEU 18 HA LEU 18 -1.379 4.024 -4.069
112 HB2 LEU 18 1HB LEU 18 -3.919 4.996 -5.383
113 HB3 LEU 18 2HB LEU 18 -2.873 3.782 -6.114
114 HG LEU 18 HG LEU 18 -3.822 3.434 -3.276
115 HD11 LEU 18 1HD1 LEU 18 -5.890 3.763 -4.445
116 HD12 LEU 18 2HD1 LEU 18 -5.677 2.017 -4.305
117 HD13 LEU 18 3HD1 LEU 18 -5.329 2.828 -5.831
118 HD21 LEU 18 3HD2 LEU 18 -2.087 1.988 -4.816
119 HD22 LEU 18 1HD2 LEU 18 -3.606 1.197 -5.216
120 HD23 LEU 18 2HD2 LEU 18 -3.071 1.276 -3.542
121 H ASP 19 H ASP 19 -1.565 7.318 -4.394
122 HA ASP 19 HA ASP 19 -0.225 7.392 -7.005
123 HB2 ASP 19 1HB ASP 19 -1.321 9.551 -5.200
124 HB3 ASP 19 2HB ASP 19 -0.437 9.878 -6.692
125 H ASN 20 H ASN 20 0.587 7.130 -3.764
126 HA ASN 20 HA ASN 20 3.292 8.190 -4.312
127 HB2 ASN 20 1HB ASN 20 1.760 8.487 -1.721
128 HB3 ASN 20 2HB ASN 20 3.420 8.977 -1.981
129 HD21 ASN 20 1HD2 ASN 20 0.659 11.613 -2.712
130 HD22 ASN 20 2HD2 ASN 20 0.618 10.373 -1.565
131 H PHE 21 H PHE 21 1.381 5.578 -3.449
132 HA PHE 21 HA PHE 21 3.719 4.132 -2.388
133 HB2 PHE 21 2HB PHE 21 0.857 3.855 -1.458
134 HB3 PHE 21 1HB PHE 21 2.178 2.814 -0.962
135 HD1 PHE 21 1HD PHE 21 1.325 6.455 -1.168
136 HD2 PHE 21 2HD PHE 21 3.379 3.363 0.974
137 HE1 PHE 21 1HE PHE 21 1.911 8.082 0.595
138 HE2 PHE 21 2HE PHE 21 3.974 4.997 2.740
139 HZ PHE 21 HZ PHE 21 3.241 7.351 2.553
140 H TYR 22 H TYR 22 3.617 1.788 -2.724
141 HA TYR 22 HA TYR 22 1.905 0.992 -4.996
142 HB2 TYR 22 2HB TYR 22 3.767 -0.011 -6.140
143 HB3 TYR 22 1HB TYR 22 4.227 1.647 -5.765
144 HD1 TYR 22 1HD TYR 22 4.655 -1.898 -4.812
145 HD2 TYR 22 2HD TYR 22 5.938 2.151 -4.238
146 HE1 TYR 22 1HE TYR 22 6.678 -2.695 -3.730
147 HE2 TYR 22 2HE TYR 22 7.961 1.347 -3.109
148 HH TYR 22 HH TYR 22 9.318 -0.620 -2.912
149 H CYS 23 H CYS 23 1.786 -1.356 -5.259
150 HA CYS 23 HA CYS 23 1.965 -2.686 -2.666
151 HB2 CYS 23 2HB CYS 23 0.288 -3.264 -5.081
152 HB3 CYS 23 1HB CYS 23 0.415 -4.352 -3.702
153 HA PRO 24 HA PRO 24 5.668 -4.677 -4.501
154 HB2 PRO 24 2HB PRO 24 5.211 -6.421 -2.122
155 HB3 PRO 24 1HB PRO 24 6.694 -5.648 -2.679
156 HG2 PRO 24 2HG PRO 24 5.335 -4.704 -0.619
157 HG3 PRO 24 1HG PRO 24 6.193 -3.652 -1.723
158 HD2 PRO 24 2HD PRO 24 3.280 -4.103 -1.428
159 HD3 PRO 24 1HD PRO 24 4.152 -2.670 -2.007
160 H MET 25 H MET 25 6.154 -6.776 -5.360
161 HA MET 25 HA MET 25 3.807 -8.157 -6.337
162 HB2 MET 25 1HB MET 25 6.746 -8.730 -6.794
163 HB3 MET 25 2HB MET 25 5.405 -9.469 -7.668
164 HG2 MET 25 1HG MET 25 5.982 -7.731 -9.109
165 HG3 MET 25 2HG MET 25 4.716 -6.971 -8.142
166 HE1 MET 25 3HE MET 25 9.203 -6.192 -8.189
167 HE2 MET 25 1HE MET 25 8.155 -6.681 -9.528
168 HE3 MET 25 2HE MET 25 8.486 -7.802 -8.211
169 H GLU 26 H GLU 26 5.572 -8.406 -3.546
170 HA GLU 26 HA GLU 26 5.885 -11.177 -3.196
171 HB2 GLU 26 1HB GLU 26 5.489 -8.922 -1.213
172 HB3 GLU 26 2HB GLU 26 5.883 -10.578 -0.748
173 HG2 GLU 26 1HG GLU 26 7.955 -10.478 -2.059
174 HG3 GLU 26 2HG GLU 26 7.553 -8.850 -2.601
175 H PHE 27 H PHE 27 4.634 -12.567 -1.916
176 HA PHE 27 HA PHE 27 1.918 -12.680 -2.579
177 HB2 PHE 27 2HB PHE 27 1.793 -14.497 -0.867
178 HB3 PHE 27 1HB PHE 27 3.115 -14.700 -2.013
179 HD1 PHE 27 1HD PHE 27 2.211 -14.197 1.482
180 HD2 PHE 27 2HD PHE 27 5.440 -14.057 -1.346
181 HE1 PHE 27 1HE PHE 27 3.850 -14.221 3.348
182 HE2 PHE 27 2HE PHE 27 7.074 -14.075 0.514
183 HZ PHE 27 HZ PHE 27 6.281 -14.155 2.861
184 H ILE 28 H ILE 28 3.474 -10.782 -0.274
185 HA ILE 28 HA ILE 28 0.893 -10.064 0.942
186 HB ILE 28 HB ILE 28 2.218 -9.714 3.104
187 HG12 ILE 28 1HG1 ILE 28 4.095 -11.673 1.748
188 HG13 ILE 28 2HG1 ILE 28 4.458 -9.971 1.972
189 HG21 ILE 28 1HG2 ILE 28 2.291 -12.485 3.201
190 HG22 ILE 28 2HG2 ILE 28 1.129 -12.162 1.921
191 HG23 ILE 28 3HG2 ILE 28 0.879 -11.486 3.527
192 HD11 ILE 28 3HD1 ILE 28 4.824 -12.088 3.841
193 HD12 ILE 28 1HD1 ILE 28 3.576 -11.022 4.482
194 HD13 ILE 28 2HD1 ILE 28 5.163 -10.374 4.067
195 HA PRO 29 HA PRO 29 3.288 -6.478 -0.842
196 HB2 PRO 29 2HB PRO 29 0.517 -5.653 -1.499
197 HB3 PRO 29 1HB PRO 29 1.957 -5.680 -2.532
198 HG2 PRO 29 2HG PRO 29 0.015 -7.464 -2.838
199 HG3 PRO 29 1HG PRO 29 1.718 -7.928 -3.022
200 HD2 PRO 29 2HD PRO 29 -0.123 -8.403 -0.695
201 HD3 PRO 29 1HD PRO 29 1.086 -9.487 -1.409
202 H HIS 30 H HIS 30 3.663 -4.601 0.255
203 HA HIS 30 HA HIS 30 1.625 -3.737 2.226
204 HB2 HIS 30 1HB HIS 30 4.627 -3.787 2.645
205 HB3 HIS 30 2HB HIS 30 3.449 -3.093 3.750
206 HD1 HIS 30 HD1 HIS 30 4.782 -6.376 2.553
207 HD2 HIS 30 HD2 HIS 30 1.789 -4.971 5.089
208 HE1 HIS 30 HE1 HIS 30 3.978 -8.373 3.894
209 H CYS 31 H CYS 31 1.167 -1.602 2.263
210 HA CYS 31 HA CYS 31 1.709 0.065 0.128
211 HB2 CYS 31 2HB CYS 31 1.021 0.662 2.992
212 HB3 CYS 31 1HB CYS 31 1.212 1.945 1.808
213 H LYS 32 H LYS 32 3.710 0.469 -0.588
214 HA LYS 32 HA LYS 32 5.706 1.449 1.374
215 HB2 LYS 32 1HB LYS 32 6.350 -0.690 0.343
216 HB3 LYS 32 2HB LYS 32 6.154 0.017 -1.239
217 HG2 LYS 32 1HG LYS 32 8.534 -0.011 -0.568
218 HG3 LYS 32 2HG LYS 32 7.960 1.639 -0.763
219 HD2 LYS 32 1HD LYS 32 7.913 2.039 1.542
220 HD3 LYS 32 2HD LYS 32 7.803 0.321 1.935
221 HE2 LYS 32 1HE LYS 32 10.040 1.193 2.465
222 HE3 LYS 32 2HE LYS 32 10.135 0.014 1.156
223 HZ1 LYS 32 3HZ LYS 32 11.333 2.278 0.931
224 HZ2 LYS 32 1HZ LYS 32 9.792 2.865 0.533
225 HZ3 LYS 32 2HZ LYS 32 10.499 1.638 -0.403
226 H LYS 33 H LYS 33 6.359 3.476 1.134
227 HA LYS 33 HA LYS 33 5.390 5.075 -1.045
228 HB2 LYS 33 1HB LYS 33 5.886 5.740 1.466
229 HB3 LYS 33 2HB LYS 33 7.492 6.059 0.832
230 HG2 LYS 33 1HG LYS 33 6.628 7.631 -0.790
231 HG3 LYS 33 2HG LYS 33 4.961 7.217 -0.381
232 HD2 LYS 33 1HD LYS 33 5.456 7.983 1.982
233 HD3 LYS 33 2HD LYS 33 6.984 8.618 1.371
234 HE2 LYS 33 1HE LYS 33 5.780 10.028 -0.235
235 HE3 LYS 33 2HE LYS 33 4.238 9.368 0.327
236 HZ1 LYS 33 3HZ LYS 33 4.692 11.476 1.388
237 HZ2 LYS 33 1HZ LYS 33 6.188 10.914 1.957
238 HZ3 LYS 33 2HZ LYS 33 4.746 10.232 2.543
239 H TYR 34 H TYR 34 6.482 5.940 -2.687
240 HA TYR 34 HA TYR 34 9.336 5.471 -3.073
241 HB2 TYR 34 2HB TYR 34 8.990 4.447 -5.255
242 HB3 TYR 34 1HB TYR 34 8.272 3.473 -3.997
243 HD1 TYR 34 1HD TYR 34 5.937 6.106 -4.194
244 HD2 TYR 34 2HD TYR 34 7.429 2.819 -6.555
245 HE1 TYR 34 1HE TYR 34 3.881 6.124 -5.531
246 HE2 TYR 34 2HE TYR 34 5.343 2.864 -7.883
247 HH TYR 34 HH TYR 34 3.485 5.133 -8.272
248 H LYS 35 H LYS 35 9.315 6.042 -5.858
249 HA LYS 35 HA LYS 35 8.459 8.867 -5.851
250 HB2 LYS 35 1HB LYS 35 10.286 9.022 -7.687
251 HB3 LYS 35 2HB LYS 35 10.782 8.949 -5.996
252 HG2 LYS 35 1HG LYS 35 10.433 6.351 -7.410
253 HG3 LYS 35 2HG LYS 35 11.827 7.332 -7.864
254 HD2 LYS 35 1HD LYS 35 12.569 7.439 -5.548
255 HD3 LYS 35 2HD LYS 35 11.133 6.579 -5.006
256 HE2 LYS 35 1HE LYS 35 13.060 5.054 -5.183
257 HE3 LYS 35 2HE LYS 35 11.799 4.617 -6.336
258 HZ1 LYS 35 3HZ LYS 35 14.401 5.082 -6.942
259 HZ2 LYS 35 1HZ LYS 35 13.651 6.541 -7.373
260 HZ3 LYS 35 2HZ LYS 35 13.113 5.076 -8.050
261 HA PRO 36 HA PRO 36 5.637 6.971 -9.005
262 HB2 PRO 36 2HB PRO 36 4.768 9.837 -9.017
263 HB3 PRO 36 1HB PRO 36 3.783 8.362 -8.945
264 HG2 PRO 36 2HG PRO 36 4.163 9.865 -6.796
265 HG3 PRO 36 1HG PRO 36 4.105 8.099 -6.687
266 HD2 PRO 36 2HD PRO 36 6.471 9.921 -6.516
267 HD3 PRO 36 1HD PRO 36 6.180 8.361 -5.704
268 H TYR 37 H TYR 37 5.705 7.038 -11.243
269 HA TYR 37 HA TYR 37 7.641 8.929 -12.436
270 HB2 TYR 37 2HB TYR 37 6.743 6.188 -13.353
271 HB3 TYR 37 1HB TYR 37 7.888 7.221 -14.212
272 HD1 TYR 37 1HD TYR 37 7.297 5.320 -11.091
273 HD2 TYR 37 2HD TYR 37 10.161 7.471 -13.458
274 HE1 TYR 37 1HE TYR 37 9.123 4.469 -9.649
275 HE2 TYR 37 2HE TYR 37 11.994 6.619 -12.018
276 HH TYR 37 HH TYR 37 11.302 4.487 -9.239
277 H VAL 38 H VAL 38 7.134 9.995 -14.343
278 HA VAL 38 HA VAL 38 4.453 10.764 -14.677
279 HB VAL 38 HB VAL 38 5.316 11.773 -16.855
280 HG11 VAL 38 1HG1 VAL 38 6.483 12.279 -14.129
281 HG12 VAL 38 2HG1 VAL 38 5.305 13.236 -15.026
282 HG13 VAL 38 3HG1 VAL 38 7.001 13.249 -15.509
283 HG21 VAL 38 3HG2 VAL 38 7.291 9.865 -16.550
284 HG22 VAL 38 1HG2 VAL 38 8.090 11.334 -15.990
285 HG23 VAL 38 2HG2 VAL 38 7.394 11.271 -17.611
286 HA PRO 39 HA PRO 39 2.820 7.561 -17.265
287 HB2 PRO 39 2HB PRO 39 0.955 8.959 -18.703
288 HB3 PRO 39 1HB PRO 39 0.738 8.512 -17.001
289 HG2 PRO 39 2HG PRO 39 1.598 11.111 -18.180
290 HG3 PRO 39 1HG PRO 39 0.485 10.793 -16.837
291 HD2 PRO 39 2HD PRO 39 3.053 11.569 -16.426
292 HD3 PRO 39 1HD PRO 39 2.201 10.488 -15.303
293 H VAL 40 H VAL 40 2.801 6.768 -19.429
294 HA VAL 40 HA VAL 40 4.503 8.313 -21.289
295 HB VAL 40 HB VAL 40 5.524 6.212 -20.535
296 HG11 VAL 40 1HG1 VAL 40 3.097 4.877 -21.776
297 HG12 VAL 40 2HG1 VAL 40 3.365 5.046 -20.041
298 HG13 VAL 40 3HG1 VAL 40 4.465 4.067 -21.012
299 HG21 VAL 40 3HG2 VAL 40 4.597 5.620 -23.325
300 HG22 VAL 40 1HG2 VAL 40 6.226 5.551 -22.652
301 HG23 VAL 40 2HG2 VAL 40 5.495 7.109 -23.035
302 H THR 41 H THR 41 3.921 8.468 -23.443
303 HA THR 41 HA THR 41 2.516 8.590 -25.251
304 HB THR 41 HB THR 41 0.948 6.293 -24.091
305 HG1 THR 41 1HG THR 41 2.952 5.588 -25.754
306 HG21 THR 41 3HG2 THR 41 0.249 7.492 -26.214
307 HG22 THR 41 1HG2 THR 41 0.542 5.762 -26.394
308 HG23 THR 41 2HG2 THR 41 1.754 6.923 -26.938
309 H THR 42 H THR 42 1.761 10.619 -24.370
310 HA THR 42 HA THR 42 -0.662 10.653 -22.782
311 HB THR 42 HB THR 42 -0.504 13.128 -23.128
312 HG1 THR 42 1HG THR 42 1.861 13.432 -24.035
313 HG21 THR 42 3HG2 THR 42 0.575 12.258 -21.189
314 HG22 THR 42 1HG2 THR 42 1.756 13.323 -21.952
315 HG23 THR 42 2HG2 THR 42 1.893 11.575 -22.144
Start of MODEL 8
1 HA ASP 1 HA ASP 1 -12.050 2.058 5.189
2 HB2 ASP 1 1HB ASP 1 -10.310 4.302 6.227
3 HB3 ASP 1 2HB ASP 1 -11.306 4.472 4.783
4 H CYS 2 H CYS 2 -8.567 2.367 5.620
5 HA CYS 2 HA CYS 2 -8.095 1.192 3.019
6 HB2 CYS 2 2HB CYS 2 -6.743 3.026 2.157
7 HB3 CYS 2 1HB CYS 2 -8.396 3.567 2.433
8 H ALA 3 H ALA 3 -5.678 1.005 2.601
9 HA ALA 3 HA ALA 3 -4.400 0.240 5.127
10 HB1 ALA 3 3HB ALA 3 -3.596 -1.471 3.928
11 HB2 ALA 3 1HB ALA 3 -2.793 -0.349 2.829
12 HB3 ALA 3 2HB ALA 3 -4.452 -0.857 2.514
13 H LYS 4 H LYS 4 -2.933 1.495 6.060
14 HA LYS 4 HA LYS 4 -1.953 3.872 4.740
15 HB2 LYS 4 1HB LYS 4 -2.487 3.316 7.332
16 HB3 LYS 4 2HB LYS 4 -0.749 3.027 7.312
17 HG2 LYS 4 1HG LYS 4 -0.812 5.306 7.767
18 HG3 LYS 4 2HG LYS 4 -0.692 5.327 6.009
19 HD2 LYS 4 1HD LYS 4 -3.260 5.334 5.990
20 HD3 LYS 4 2HD LYS 4 -3.158 5.710 7.711
21 HE2 LYS 4 1HE LYS 4 -3.297 7.820 6.617
22 HE3 LYS 4 2HE LYS 4 -1.598 7.628 7.050
23 HZ1 LYS 4 3HZ LYS 4 -2.641 8.069 4.531
24 HZ2 LYS 4 1HZ LYS 4 -2.120 6.455 4.526
25 HZ3 LYS 4 2HZ LYS 4 -1.032 7.698 4.924
26 H GLU 5 H GLU 5 0.620 4.165 5.672
27 HA GLU 5 HA GLU 5 2.142 2.764 3.761
28 HB2 GLU 5 1HB GLU 5 2.817 4.929 4.698
29 HB3 GLU 5 2HB GLU 5 3.057 4.177 6.273
30 HG2 GLU 5 1HG GLU 5 4.811 2.732 5.353
31 HG3 GLU 5 2HG GLU 5 4.535 3.391 3.744
32 H GLY 6 H GLY 6 3.038 0.815 3.770
33 HA2 GLY 6 1HA GLY 6 4.063 -1.109 4.545
34 HA3 GLY 6 2HA GLY 6 3.964 -0.483 6.178
35 H GLU 7 H GLU 7 0.948 -0.160 4.875
36 HA GLU 7 HA GLU 7 -0.012 -2.476 6.360
37 HB2 GLU 7 1HB GLU 7 -1.552 -0.313 4.902
38 HB3 GLU 7 2HB GLU 7 -2.239 -1.524 5.979
39 HG2 GLU 7 1HG GLU 7 -0.136 0.504 6.799
40 HG3 GLU 7 2HG GLU 7 -1.858 0.660 7.128
41 H VAL 8 H VAL 8 -1.413 -4.061 5.462
42 HA VAL 8 HA VAL 8 -0.541 -5.101 3.010
43 HB VAL 8 HB VAL 8 -3.025 -5.685 4.632
44 HG11 VAL 8 1HG1 VAL 8 -2.892 -7.880 3.269
45 HG12 VAL 8 2HG1 VAL 8 -1.905 -6.961 2.134
46 HG13 VAL 8 3HG1 VAL 8 -3.565 -6.464 2.462
47 HG21 VAL 8 3HG2 VAL 8 -0.406 -7.184 4.309
48 HG22 VAL 8 1HG2 VAL 8 -1.739 -7.628 5.374
49 HG23 VAL 8 2HG2 VAL 8 -0.813 -6.160 5.687
50 H CYS 9 H CYS 9 -1.080 -4.672 0.943
51 HA CYS 9 HA CYS 9 -3.703 -3.430 0.409
52 HB2 CYS 9 2HB CYS 9 -2.715 -1.788 -1.071
53 HB3 CYS 9 1HB CYS 9 -2.004 -1.640 0.531
54 H SER 10 H SER 10 -4.684 -4.760 -0.897
55 HA SER 10 HA SER 10 -3.704 -5.450 -3.462
56 HB2 SER 10 1HB SER 10 -2.275 -6.991 -2.213
57 HB3 SER 10 2HB SER 10 -3.684 -7.703 -1.441
58 HG SER 10 HG SER 10 -3.163 -7.605 -4.236
59 H TRP 11 H TRP 11 -5.114 -8.173 -3.152
60 HA TRP 11 HA TRP 11 -7.615 -7.393 -4.169
61 HB2 TRP 11 2HB TRP 11 -8.207 -9.700 -4.072
62 HB3 TRP 11 1HB TRP 11 -6.477 -9.654 -4.405
63 HD1 TRP 11 1HD TRP 11 -4.804 -10.299 -2.385
64 HE1 TRP 11 1HE TRP 11 -5.189 -11.674 -0.246
65 HE3 TRP 11 3HE TRP 11 -9.916 -10.327 -2.248
66 HZ2 TRP 11 2HZ TRP 11 -7.365 -12.661 1.320
67 HZ3 TRP 11 3HZ TRP 11 -11.115 -11.497 -0.418
68 HH2 TRP 11 2HH TRP 11 -9.845 -12.664 1.366
69 H GLY 12 H GLY 12 -6.600 -8.297 -0.893
70 HA2 GLY 12 1HA GLY 12 -9.187 -8.319 0.264
71 HA3 GLY 12 2HA GLY 12 -7.673 -8.128 1.138
72 H LYS 13 H LYS 13 -6.693 -5.790 0.112
73 HA LYS 13 HA LYS 13 -8.767 -3.741 0.424
74 HB2 LYS 13 1HB LYS 13 -6.385 -4.066 2.255
75 HB3 LYS 13 2HB LYS 13 -7.311 -2.572 2.128
76 HG2 LYS 13 1HG LYS 13 -9.361 -3.777 2.783
77 HG3 LYS 13 2HG LYS 13 -8.450 -5.281 2.893
78 HD2 LYS 13 1HD LYS 13 -7.036 -4.307 4.653
79 HD3 LYS 13 2HD LYS 13 -7.943 -2.796 4.550
80 HE2 LYS 13 1HE LYS 13 -10.010 -3.996 5.175
81 HE3 LYS 13 2HE LYS 13 -9.103 -5.504 5.278
82 HZ1 LYS 13 3HZ LYS 13 -8.943 -4.883 7.425
83 HZ2 LYS 13 1HZ LYS 13 -9.140 -3.232 7.093
84 HZ3 LYS 13 2HZ LYS 13 -7.630 -3.971 6.848
85 H LYS 14 H LYS 14 -7.864 -1.523 0.011
86 HA LYS 14 HA LYS 14 -5.633 -1.625 -1.931
87 HB2 LYS 14 1HB LYS 14 -8.092 0.143 -1.877
88 HB3 LYS 14 2HB LYS 14 -6.759 0.309 -3.018
89 HG2 LYS 14 1HG LYS 14 -7.163 -1.986 -3.836
90 HG3 LYS 14 2HG LYS 14 -8.496 -2.159 -2.692
91 HD2 LYS 14 1HD LYS 14 -9.669 -0.273 -3.764
92 HD3 LYS 14 2HD LYS 14 -8.338 -0.095 -4.909
93 HE2 LYS 14 1HE LYS 14 -8.737 -2.364 -5.755
94 HE3 LYS 14 2HE LYS 14 -10.046 -2.582 -4.593
95 HZ1 LYS 14 3HZ LYS 14 -11.441 -1.379 -5.827
96 HZ2 LYS 14 1HZ LYS 14 -10.343 -1.629 -7.096
97 HZ3 LYS 14 2HZ LYS 14 -10.277 -0.195 -6.188
98 H CYS 15 H CYS 15 -4.072 -0.111 -1.807
99 HA CYS 15 HA CYS 15 -3.529 1.044 0.711
100 HB2 CYS 15 2HB CYS 15 -1.930 0.405 -1.250
101 HB3 CYS 15 1HB CYS 15 -2.300 2.019 -1.842
102 H CYS 16 H CYS 16 -3.980 3.031 1.533
103 HA CYS 16 HA CYS 16 -6.058 4.601 0.626
104 HB2 CYS 16 2HB CYS 16 -4.282 4.663 2.767
105 HB3 CYS 16 1HB CYS 16 -4.030 6.208 1.951
106 H ASP 17 H ASP 17 -2.662 5.624 0.435
107 HA ASP 17 HA ASP 17 -3.374 7.271 -1.903
108 HB2 ASP 17 1HB ASP 17 -1.076 7.366 0.051
109 HB3 ASP 17 2HB ASP 17 -1.074 8.287 -1.451
110 H LEU 18 H LEU 18 -3.294 5.841 -3.595
111 HA LEU 18 HA LEU 18 -1.080 4.008 -3.915
112 HB2 LEU 18 1HB LEU 18 -3.426 4.741 -5.682
113 HB3 LEU 18 2HB LEU 18 -2.216 3.534 -6.119
114 HG LEU 18 HG LEU 18 -3.565 3.330 -3.448
115 HD11 LEU 18 1HD1 LEU 18 -4.723 2.355 -6.080
116 HD12 LEU 18 2HD1 LEU 18 -5.407 3.630 -5.073
117 HD13 LEU 18 3HD1 LEU 18 -5.357 1.970 -4.479
118 HD21 LEU 18 3HD2 LEU 18 -3.186 0.928 -3.846
119 HD22 LEU 18 1HD2 LEU 18 -1.677 1.811 -4.074
120 HD23 LEU 18 2HD2 LEU 18 -2.606 1.277 -5.474
121 H ASP 19 H ASP 19 -1.602 7.269 -4.547
122 HA ASP 19 HA ASP 19 0.098 7.393 -6.907
123 HB2 ASP 19 1HB ASP 19 -0.298 9.805 -6.787
124 HB3 ASP 19 2HB ASP 19 -1.820 8.922 -6.693
125 H ASN 20 H ASN 20 0.645 6.994 -3.693
126 HA ASN 20 HA ASN 20 3.301 8.275 -3.875
127 HB2 ASN 20 1HB ASN 20 1.484 8.188 -1.459
128 HB3 ASN 20 2HB ASN 20 3.140 8.775 -1.447
129 HD21 ASN 20 1HD2 ASN 20 0.196 11.244 -2.498
130 HD22 ASN 20 2HD2 ASN 20 -0.058 9.752 -1.741
131 H PHE 21 H PHE 21 1.313 5.648 -2.668
132 HA PHE 21 HA PHE 21 3.792 4.185 -1.993
133 HB2 PHE 21 2HB PHE 21 1.012 3.812 -0.853
134 HB3 PHE 21 1HB PHE 21 2.445 2.880 -0.412
135 HD1 PHE 21 1HD PHE 21 0.946 6.273 -0.399
136 HD2 PHE 21 2HD PHE 21 4.103 3.774 1.129
137 HE1 PHE 21 1HE PHE 21 1.525 8.008 1.265
138 HE2 PHE 21 2HE PHE 21 4.659 5.514 2.779
139 HZ PHE 21 HZ PHE 21 3.389 7.633 2.847
140 H TYR 22 H TYR 22 3.979 2.052 -2.713
141 HA TYR 22 HA TYR 22 2.000 1.237 -4.763
142 HB2 TYR 22 2HB TYR 22 3.796 0.298 -6.043
143 HB3 TYR 22 1HB TYR 22 4.329 1.901 -5.557
144 HD1 TYR 22 1HD TYR 22 4.713 -1.721 -4.905
145 HD2 TYR 22 2HD TYR 22 6.066 2.241 -4.009
146 HE1 TYR 22 1HE TYR 22 6.726 -2.623 -3.904
147 HE2 TYR 22 2HE TYR 22 8.067 1.315 -2.956
148 HH TYR 22 HH TYR 22 9.427 -0.805 -3.066
149 H CYS 23 H CYS 23 1.851 -1.110 -5.101
150 HA CYS 23 HA CYS 23 2.050 -2.511 -2.536
151 HB2 CYS 23 2HB CYS 23 0.321 -3.029 -4.951
152 HB3 CYS 23 1HB CYS 23 0.413 -4.086 -3.538
153 HA PRO 24 HA PRO 24 5.642 -4.541 -4.557
154 HB2 PRO 24 2HB PRO 24 5.283 -6.245 -2.129
155 HB3 PRO 24 1HB PRO 24 6.749 -5.492 -2.769
156 HG2 PRO 24 2HG PRO 24 5.508 -4.511 -0.659
157 HG3 PRO 24 1HG PRO 24 6.288 -3.471 -1.841
158 HD2 PRO 24 2HD PRO 24 3.413 -3.963 -1.360
159 HD3 PRO 24 1HD PRO 24 4.233 -2.517 -1.973
160 H MET 25 H MET 25 5.963 -6.497 -5.629
161 HA MET 25 HA MET 25 3.530 -7.955 -6.254
162 HB2 MET 25 1HB MET 25 6.367 -8.300 -7.257
163 HB3 MET 25 2HB MET 25 4.953 -9.136 -7.899
164 HG2 MET 25 1HG MET 25 3.934 -6.973 -8.493
165 HG3 MET 25 2HG MET 25 5.333 -6.128 -7.833
166 HE1 MET 25 3HE MET 25 5.672 -5.617 -11.664
167 HE2 MET 25 1HE MET 25 5.734 -4.839 -10.077
168 HE3 MET 25 2HE MET 25 4.249 -5.609 -10.625
169 H GLU 26 H GLU 26 3.307 -8.801 -4.009
170 HA GLU 26 HA GLU 26 4.629 -11.401 -3.799
171 HB2 GLU 26 1HB GLU 26 4.552 -9.321 -1.604
172 HB3 GLU 26 2HB GLU 26 4.950 -11.018 -1.338
173 HG2 GLU 26 1HG GLU 26 6.821 -10.827 -2.944
174 HG3 GLU 26 2HG GLU 26 6.431 -9.125 -3.189
175 H PHE 27 H PHE 27 3.593 -12.527 -1.770
176 HA PHE 27 HA PHE 27 0.893 -13.006 -2.367
177 HB2 PHE 27 2HB PHE 27 2.283 -14.656 -1.204
178 HB3 PHE 27 1HB PHE 27 2.390 -13.596 0.201
179 HD1 PHE 27 1HD PHE 27 -0.161 -15.197 -2.033
180 HD2 PHE 27 2HD PHE 27 0.810 -13.822 1.919
181 HE1 PHE 27 1HE PHE 27 -2.306 -16.114 -1.187
182 HE2 PHE 27 2HE PHE 27 -1.334 -14.738 2.763
183 HZ PHE 27 HZ PHE 27 -2.891 -15.883 1.210
184 H ILE 28 H ILE 28 2.376 -11.089 0.228
185 HA ILE 28 HA ILE 28 -0.216 -9.722 0.608
186 HB ILE 28 HB ILE 28 0.611 -9.431 3.025
187 HG12 ILE 28 1HG1 ILE 28 2.173 -11.920 2.289
188 HG13 ILE 28 2HG1 ILE 28 2.916 -10.329 2.447
189 HG21 ILE 28 1HG2 ILE 28 -0.634 -11.754 1.669
190 HG22 ILE 28 2HG2 ILE 28 -1.242 -10.763 2.993
191 HG23 ILE 28 3HG2 ILE 28 -0.079 -12.047 3.319
192 HD11 ILE 28 3HD1 ILE 28 2.725 -10.314 4.724
193 HD12 ILE 28 1HD1 ILE 28 2.685 -12.066 4.515
194 HD13 ILE 28 2HD1 ILE 28 1.180 -11.165 4.701
195 HA PRO 29 HA PRO 29 3.077 -6.703 -0.736
196 HB2 PRO 29 2HB PRO 29 0.556 -5.344 -1.538
197 HB3 PRO 29 1HB PRO 29 2.059 -5.548 -2.450
198 HG2 PRO 29 2HG PRO 29 -0.102 -6.967 -3.031
199 HG3 PRO 29 1HG PRO 29 1.506 -7.707 -3.104
200 HD2 PRO 29 2HD PRO 29 -0.617 -8.024 -1.023
201 HD3 PRO 29 1HD PRO 29 0.544 -9.214 -1.643
202 H HIS 30 H HIS 30 3.654 -4.769 0.254
203 HA HIS 30 HA HIS 30 1.769 -3.721 2.299
204 HB2 HIS 30 1HB HIS 30 4.778 -3.999 2.548
205 HB3 HIS 30 2HB HIS 30 3.724 -3.227 3.724
206 HD1 HIS 30 HD1 HIS 30 4.853 -6.565 2.547
207 HD2 HIS 30 HD2 HIS 30 1.896 -5.018 5.045
208 HE1 HIS 30 HE1 HIS 30 3.964 -8.520 3.892
209 H CYS 31 H CYS 31 1.345 -1.607 2.170
210 HA CYS 31 HA CYS 31 2.048 -0.010 0.030
211 HB2 CYS 31 2HB CYS 31 1.335 0.743 2.856
212 HB3 CYS 31 1HB CYS 31 1.461 1.922 1.560
213 H LYS 32 H LYS 32 3.875 0.899 -0.603
214 HA LYS 32 HA LYS 32 5.842 1.738 1.421
215 HB2 LYS 32 1HB LYS 32 6.463 -0.511 0.487
216 HB3 LYS 32 2HB LYS 32 6.568 0.236 -1.087
217 HG2 LYS 32 1HG LYS 32 8.789 0.384 -0.405
218 HG3 LYS 32 2HG LYS 32 8.178 1.939 0.161
219 HD2 LYS 32 1HD LYS 32 9.144 1.213 2.113
220 HD3 LYS 32 2HD LYS 32 7.556 0.470 2.308
221 HE2 LYS 32 1HE LYS 32 9.122 -1.277 2.732
222 HE3 LYS 32 2HE LYS 32 8.529 -1.568 1.097
223 HZ1 LYS 32 3HZ LYS 32 10.773 0.199 1.144
224 HZ2 LYS 32 1HZ LYS 32 10.538 -1.223 0.250
225 HZ3 LYS 32 2HZ LYS 32 11.139 -1.308 1.837
226 H LYS 33 H LYS 33 6.547 3.722 1.086
227 HA LYS 33 HA LYS 33 5.615 5.307 -1.069
228 HB2 LYS 33 1HB LYS 33 7.543 6.859 -0.099
229 HB3 LYS 33 2HB LYS 33 6.006 6.632 0.738
230 HG2 LYS 33 1HG LYS 33 6.943 4.987 2.206
231 HG3 LYS 33 2HG LYS 33 8.416 4.874 1.246
232 HD2 LYS 33 1HD LYS 33 8.965 6.209 3.153
233 HD3 LYS 33 2HD LYS 33 8.805 7.335 1.805
234 HE2 LYS 33 1HE LYS 33 6.580 7.967 2.508
235 HE3 LYS 33 2HE LYS 33 6.549 6.699 3.733
236 HZ1 LYS 33 3HZ LYS 33 7.721 9.312 3.829
237 HZ2 LYS 33 1HZ LYS 33 8.814 8.097 4.286
238 HZ3 LYS 33 2HZ LYS 33 7.330 8.251 5.100
239 H TYR 34 H TYR 34 6.563 5.977 -2.912
240 HA TYR 34 HA TYR 34 9.351 5.442 -3.494
241 HB2 TYR 34 2HB TYR 34 8.976 3.997 -5.328
242 HB3 TYR 34 1HB TYR 34 8.067 3.323 -3.990
243 HD1 TYR 34 1HD TYR 34 7.855 3.638 -7.331
244 HD2 TYR 34 2HD TYR 34 5.558 4.816 -3.887
245 HE1 TYR 34 1HE TYR 34 5.808 3.787 -8.712
246 HE2 TYR 34 2HE TYR 34 3.549 4.951 -5.274
247 HH TYR 34 HH TYR 34 3.080 5.379 -7.769
248 H LYS 35 H LYS 35 9.917 6.250 -5.655
249 HA LYS 35 HA LYS 35 9.703 8.785 -6.227
250 HB2 LYS 35 1HB LYS 35 9.335 8.196 -8.746
251 HB3 LYS 35 2HB LYS 35 10.796 7.660 -7.919
252 HG2 LYS 35 1HG LYS 35 8.459 5.849 -7.738
253 HG3 LYS 35 2HG LYS 35 9.196 5.998 -9.330
254 HD2 LYS 35 1HD LYS 35 10.964 5.569 -6.935
255 HD3 LYS 35 2HD LYS 35 10.107 4.195 -7.635
256 HE2 LYS 35 1HE LYS 35 11.076 4.722 -9.849
257 HE3 LYS 35 2HE LYS 35 11.959 6.072 -9.137
258 HZ1 LYS 35 3HZ LYS 35 12.435 3.215 -8.915
259 HZ2 LYS 35 1HZ LYS 35 12.680 4.124 -7.503
260 HZ3 LYS 35 2HZ LYS 35 13.537 4.508 -8.918
261 HA PRO 36 HA PRO 36 5.090 9.074 -5.963
262 HB2 PRO 36 2HB PRO 36 5.878 11.884 -5.354
263 HB3 PRO 36 1HB PRO 36 4.757 10.818 -4.486
264 HG2 PRO 36 2HG PRO 36 7.153 11.380 -3.500
265 HG3 PRO 36 1HG PRO 36 6.451 9.761 -3.333
266 HD2 PRO 36 2HD PRO 36 8.582 10.710 -5.213
267 HD3 PRO 36 1HD PRO 36 8.450 9.168 -4.338
268 H TYR 37 H TYR 37 3.600 10.097 -7.357
269 HA TYR 37 HA TYR 37 4.820 11.281 -9.764
270 HB2 TYR 37 2HB TYR 37 2.145 9.944 -9.286
271 HB3 TYR 37 1HB TYR 37 2.596 10.723 -10.804
272 HD1 TYR 37 1HD TYR 37 3.654 8.087 -8.390
273 HD2 TYR 37 2HD TYR 37 3.931 9.595 -12.403
274 HE1 TYR 37 1HE TYR 37 4.854 6.035 -9.077
275 HE2 TYR 37 2HE TYR 37 5.137 7.540 -13.092
276 HH TYR 37 HH TYR 37 5.866 5.540 -12.468
277 H VAL 38 H VAL 38 4.189 13.261 -10.539
278 HA VAL 38 HA VAL 38 2.235 14.781 -8.919
279 HB VAL 38 HB VAL 38 4.771 15.927 -10.086
280 HG11 VAL 38 1HG1 VAL 38 2.839 17.470 -9.725
281 HG12 VAL 38 2HG1 VAL 38 4.200 17.838 -8.666
282 HG13 VAL 38 3HG1 VAL 38 2.798 16.977 -8.032
283 HG21 VAL 38 3HG2 VAL 38 5.575 14.513 -8.385
284 HG22 VAL 38 1HG2 VAL 38 4.134 14.731 -7.394
285 HG23 VAL 38 2HG2 VAL 38 5.317 16.033 -7.528
286 HA PRO 39 HA PRO 39 1.257 14.988 -13.470
287 HB2 PRO 39 2HB PRO 39 -1.340 14.186 -13.277
288 HB3 PRO 39 1HB PRO 39 0.012 13.048 -13.427
289 HG2 PRO 39 2HG PRO 39 -1.537 13.842 -11.021
290 HG3 PRO 39 1HG PRO 39 -0.887 12.260 -11.476
291 HD2 PRO 39 2HD PRO 39 0.283 13.932 -9.642
292 HD3 PRO 39 1HD PRO 39 1.172 12.700 -10.564
293 H VAL 40 H VAL 40 -0.211 16.460 -14.563
294 HA VAL 40 HA VAL 40 -0.617 18.891 -13.144
295 HB VAL 40 HB VAL 40 -1.579 17.956 -15.855
296 HG11 VAL 40 1HG1 VAL 40 -3.045 19.693 -15.583
297 HG12 VAL 40 2HG1 VAL 40 -1.627 20.662 -15.980
298 HG13 VAL 40 3HG1 VAL 40 -2.092 20.430 -14.295
299 HG21 VAL 40 3HG2 VAL 40 0.417 18.694 -16.643
300 HG22 VAL 40 1HG2 VAL 40 0.957 18.608 -14.966
301 HG23 VAL 40 2HG2 VAL 40 0.378 20.136 -15.629
302 H THR 41 H THR 41 -2.295 19.555 -11.974
303 HA THR 41 HA THR 41 -4.876 18.136 -12.256
304 HB THR 41 HB THR 41 -3.598 19.152 -9.704
305 HG1 THR 41 1HG THR 41 -2.790 17.232 -9.692
306 HG21 THR 41 3HG2 THR 41 -5.852 19.401 -9.260
307 HG22 THR 41 1HG2 THR 41 -5.655 17.699 -8.851
308 HG23 THR 41 2HG2 THR 41 -6.327 18.157 -10.415
309 H THR 42 H THR 42 -6.594 19.390 -12.610
310 HA THR 42 HA THR 42 -6.616 22.169 -11.722
311 HB THR 42 HB THR 42 -7.359 21.818 -14.571
312 HG1 THR 42 1HG THR 42 -5.386 20.700 -14.432
313 HG21 THR 42 3HG2 THR 42 -6.631 24.074 -14.716
314 HG22 THR 42 1HG2 THR 42 -5.673 23.940 -13.242
315 HG23 THR 42 2HG2 THR 42 -7.434 23.954 -13.151
Start of MODEL 9
1 HA ASP 1 HA ASP 1 -10.543 2.652 6.441
2 HB2 ASP 1 1HB ASP 1 -12.197 0.436 5.216
3 HB3 ASP 1 2HB ASP 1 -10.667 0.127 6.034
4 H CYS 2 H CYS 2 -8.489 2.313 5.694
5 HA CYS 2 HA CYS 2 -8.047 1.457 2.941
6 HB2 CYS 2 2HB CYS 2 -6.757 3.396 2.316
7 HB3 CYS 2 1HB CYS 2 -8.354 3.945 2.828
8 H ALA 3 H ALA 3 -5.688 1.194 2.491
9 HA ALA 3 HA ALA 3 -4.377 0.138 4.878
10 HB1 ALA 3 3HB ALA 3 -2.816 -0.166 2.491
11 HB2 ALA 3 1HB ALA 3 -4.485 -0.619 2.153
12 HB3 ALA 3 2HB ALA 3 -3.605 -1.409 3.459
13 H LYS 4 H LYS 4 -3.064 1.413 5.998
14 HA LYS 4 HA LYS 4 -1.993 3.862 4.940
15 HB2 LYS 4 1HB LYS 4 -2.564 2.982 7.460
16 HB3 LYS 4 2HB LYS 4 -0.818 2.774 7.421
17 HG2 LYS 4 1HG LYS 4 -1.021 4.980 8.158
18 HG3 LYS 4 2HG LYS 4 -0.821 5.204 6.422
19 HD2 LYS 4 1HD LYS 4 -3.291 5.315 6.167
20 HD3 LYS 4 2HD LYS 4 -3.465 5.127 7.911
21 HE2 LYS 4 1HE LYS 4 -2.137 7.200 8.244
22 HE3 LYS 4 2HE LYS 4 -2.049 7.401 6.494
23 HZ1 LYS 4 3HZ LYS 4 -4.135 8.121 8.241
24 HZ2 LYS 4 1HZ LYS 4 -4.715 6.970 7.139
25 HZ3 LYS 4 2HZ LYS 4 -4.003 8.404 6.571
26 H GLU 5 H GLU 5 0.538 4.053 5.899
27 HA GLU 5 HA GLU 5 2.067 2.744 3.909
28 HB2 GLU 5 1HB GLU 5 2.863 4.832 4.695
29 HB3 GLU 5 2HB GLU 5 2.834 4.298 6.375
30 HG2 GLU 5 1HG GLU 5 4.687 2.853 6.063
31 HG3 GLU 5 2HG GLU 5 4.555 2.918 4.310
32 H GLY 6 H GLY 6 3.001 0.833 3.859
33 HA2 GLY 6 1HA GLY 6 4.057 -1.092 4.575
34 HA3 GLY 6 2HA GLY 6 3.950 -0.515 6.226
35 H GLU 7 H GLU 7 0.933 -0.198 4.906
36 HA GLU 7 HA GLU 7 -0.017 -2.538 6.347
37 HB2 GLU 7 1HB GLU 7 -1.551 -0.396 4.855
38 HB3 GLU 7 2HB GLU 7 -2.260 -1.646 5.872
39 HG2 GLU 7 1HG GLU 7 -0.206 0.351 6.854
40 HG3 GLU 7 2HG GLU 7 -1.942 0.557 7.052
41 H VAL 8 H VAL 8 -1.357 -4.150 5.421
42 HA VAL 8 HA VAL 8 -0.400 -5.175 2.986
43 HB VAL 8 HB VAL 8 -2.871 -5.841 4.595
44 HG11 VAL 8 1HG1 VAL 8 -1.729 -7.048 2.080
45 HG12 VAL 8 2HG1 VAL 8 -3.406 -6.639 2.444
46 HG13 VAL 8 3HG1 VAL 8 -2.650 -8.032 3.218
47 HG21 VAL 8 3HG2 VAL 8 -1.535 -7.750 5.335
48 HG22 VAL 8 1HG2 VAL 8 -0.639 -6.264 5.645
49 HG23 VAL 8 2HG2 VAL 8 -0.217 -7.278 4.265
50 H CYS 9 H CYS 9 -1.064 -4.978 0.898
51 HA CYS 9 HA CYS 9 -3.648 -3.635 0.391
52 HB2 CYS 9 2HB CYS 9 -2.665 -2.100 -1.189
53 HB3 CYS 9 1HB CYS 9 -1.799 -1.933 0.336
54 H SER 10 H SER 10 -4.276 -3.829 -1.939
55 HA SER 10 HA SER 10 -4.514 -5.008 -3.915
56 HB2 SER 10 1HB SER 10 -1.850 -5.208 -3.510
57 HB3 SER 10 2HB SER 10 -2.309 -6.900 -3.395
58 HG SER 10 HG SER 10 -1.875 -6.266 -5.551
59 H TRP 11 H TRP 11 -3.837 -6.697 -0.920
60 HA TRP 11 HA TRP 11 -5.015 -9.188 -1.677
61 HB2 TRP 11 2HB TRP 11 -3.708 -8.105 0.611
62 HB3 TRP 11 1HB TRP 11 -5.239 -8.781 1.143
63 HD1 TRP 11 1HD TRP 11 -1.873 -9.842 0.839
64 HE1 TRP 11 1HE TRP 11 -1.660 -12.378 0.406
65 HE3 TRP 11 3HE TRP 11 -6.644 -10.874 -0.608
66 HZ2 TRP 11 2HZ TRP 11 -3.313 -14.560 -0.445
67 HZ3 TRP 11 3HZ TRP 11 -7.307 -13.187 -1.226
68 HH2 TRP 11 2HH TRP 11 -5.647 -15.028 -1.146
69 H GLY 12 H GLY 12 -6.577 -6.725 -2.236
70 HA2 GLY 12 1HA GLY 12 -8.978 -6.780 -2.487
71 HA3 GLY 12 2HA GLY 12 -9.085 -7.571 -0.920
72 H LYS 13 H LYS 13 -6.757 -5.253 -0.652
73 HA LYS 13 HA LYS 13 -8.685 -3.207 0.280
74 HB2 LYS 13 1HB LYS 13 -6.028 -3.999 1.503
75 HB3 LYS 13 2HB LYS 13 -7.019 -2.636 2.023
76 HG2 LYS 13 1HG LYS 13 -8.824 -4.089 2.671
77 HG3 LYS 13 2HG LYS 13 -8.050 -5.481 1.918
78 HD2 LYS 13 1HD LYS 13 -7.663 -5.660 4.288
79 HD3 LYS 13 2HD LYS 13 -6.136 -5.182 3.548
80 HE2 LYS 13 1HE LYS 13 -6.447 -2.882 4.225
81 HE3 LYS 13 2HE LYS 13 -8.093 -3.212 4.767
82 HZ1 LYS 13 3HZ LYS 13 -6.602 -5.032 6.111
83 HZ2 LYS 13 1HZ LYS 13 -7.159 -3.560 6.743
84 HZ3 LYS 13 2HZ LYS 13 -5.592 -3.667 6.097
85 H LYS 14 H LYS 14 -8.197 -1.075 -0.123
86 HA LYS 14 HA LYS 14 -6.089 -0.627 -2.140
87 HB2 LYS 14 1HB LYS 14 -8.543 0.986 -1.398
88 HB3 LYS 14 2HB LYS 14 -7.342 1.489 -2.589
89 HG2 LYS 14 1HG LYS 14 -7.775 -0.542 -3.907
90 HG3 LYS 14 2HG LYS 14 -8.960 -1.073 -2.713
91 HD2 LYS 14 1HD LYS 14 -10.339 0.904 -3.161
92 HD3 LYS 14 2HD LYS 14 -9.139 1.501 -4.308
93 HE2 LYS 14 1HE LYS 14 -10.975 0.378 -5.498
94 HE3 LYS 14 2HE LYS 14 -9.472 -0.523 -5.698
95 HZ1 LYS 14 3HZ LYS 14 -11.907 -1.342 -4.490
96 HZ2 LYS 14 1HZ LYS 14 -10.622 -1.497 -3.395
97 HZ3 LYS 14 2HZ LYS 14 -10.548 -2.272 -4.906
98 H CYS 15 H CYS 15 -4.409 0.650 -1.758
99 HA CYS 15 HA CYS 15 -3.823 1.468 0.914
100 HB2 CYS 15 2HB CYS 15 -2.225 0.746 -1.003
101 HB3 CYS 15 1HB CYS 15 -2.359 2.419 -1.532
102 H CYS 16 H CYS 16 -4.259 3.359 1.881
103 HA CYS 16 HA CYS 16 -6.061 5.211 1.083
104 HB2 CYS 16 2HB CYS 16 -4.079 5.064 3.119
105 HB3 CYS 16 1HB CYS 16 -4.027 6.686 2.427
106 H ASP 17 H ASP 17 -2.661 5.172 0.197
107 HA ASP 17 HA ASP 17 -3.255 7.202 -1.862
108 HB2 ASP 17 1HB ASP 17 -0.982 7.200 0.114
109 HB3 ASP 17 2HB ASP 17 -0.873 8.062 -1.419
110 H LEU 18 H LEU 18 -3.376 5.471 -3.356
111 HA LEU 18 HA LEU 18 -1.246 3.613 -3.738
112 HB2 LEU 18 1HB LEU 18 -3.584 4.471 -5.444
113 HB3 LEU 18 2HB LEU 18 -2.416 3.272 -5.993
114 HG LEU 18 HG LEU 18 -3.779 2.994 -3.311
115 HD11 LEU 18 1HD1 LEU 18 -4.782 2.040 -6.013
116 HD12 LEU 18 2HD1 LEU 18 -5.576 3.213 -4.961
117 HD13 LEU 18 3HD1 LEU 18 -5.438 1.529 -4.458
118 HD21 LEU 18 3HD2 LEU 18 -2.765 0.954 -3.281
119 HD22 LEU 18 1HD2 LEU 18 -1.764 1.556 -4.601
120 HD23 LEU 18 2HD2 LEU 18 -3.215 0.627 -4.950
121 H ASP 19 H ASP 19 -1.757 6.881 -4.674
122 HA ASP 19 HA ASP 19 -0.037 6.885 -6.973
123 HB2 ASP 19 1HB ASP 19 -1.123 9.096 -5.218
124 HB3 ASP 19 2HB ASP 19 -0.141 9.384 -6.653
125 H ASN 20 H ASN 20 0.358 7.543 -3.526
126 HA ASN 20 HA ASN 20 3.173 8.252 -3.936
127 HB2 ASN 20 1HB ASN 20 1.470 8.247 -1.448
128 HB3 ASN 20 2HB ASN 20 3.137 8.783 -1.521
129 HD21 ASN 20 1HD2 ASN 20 0.406 11.472 -2.185
130 HD22 ASN 20 2HD2 ASN 20 0.285 10.119 -1.180
131 H PHE 21 H PHE 21 1.197 5.616 -2.940
132 HA PHE 21 HA PHE 21 3.608 4.133 -2.105
133 HB2 PHE 21 2HB PHE 21 0.755 3.837 -1.149
134 HB3 PHE 21 1HB PHE 21 2.054 2.715 -0.753
135 HD1 PHE 21 1HD PHE 21 1.042 6.293 -0.516
136 HD2 PHE 21 2HD PHE 21 3.579 3.188 1.000
137 HE1 PHE 21 1HE PHE 21 1.728 7.768 1.349
138 HE2 PHE 21 2HE PHE 21 4.277 4.671 2.854
139 HZ PHE 21 HZ PHE 21 3.353 6.958 3.033
140 H TYR 22 H TYR 22 3.650 1.871 -2.645
141 HA TYR 22 HA TYR 22 1.853 1.116 -4.866
142 HB2 TYR 22 2HB TYR 22 3.694 0.268 -6.131
143 HB3 TYR 22 1HB TYR 22 4.149 1.881 -5.632
144 HD1 TYR 22 1HD TYR 22 4.590 -1.731 -4.797
145 HD2 TYR 22 2HD TYR 22 5.995 2.271 -4.267
146 HE1 TYR 22 1HE TYR 22 6.654 -2.576 -3.845
147 HE2 TYR 22 2HE TYR 22 8.051 1.419 -3.259
148 HH TYR 22 HH TYR 22 9.292 -0.396 -2.844
149 H CYS 23 H CYS 23 1.808 -1.230 -5.261
150 HA CYS 23 HA CYS 23 1.965 -2.693 -2.730
151 HB2 CYS 23 2HB CYS 23 0.368 -3.140 -5.236
152 HB3 CYS 23 1HB CYS 23 0.477 -4.330 -3.943
153 HA PRO 24 HA PRO 24 5.705 -4.587 -4.615
154 HB2 PRO 24 2HB PRO 24 5.374 -6.287 -2.193
155 HB3 PRO 24 1HB PRO 24 6.811 -5.453 -2.789
156 HG2 PRO 24 2HG PRO 24 5.454 -4.560 -0.706
157 HG3 PRO 24 1HG PRO 24 6.224 -3.474 -1.843
158 HD2 PRO 24 2HD PRO 24 3.346 -4.105 -1.495
159 HD3 PRO 24 1HD PRO 24 4.122 -2.621 -2.061
160 H MET 25 H MET 25 6.146 -6.579 -5.592
161 HA MET 25 HA MET 25 3.794 -8.213 -6.157
162 HB2 MET 25 1HB MET 25 6.607 -8.211 -7.275
163 HB3 MET 25 2HB MET 25 5.354 -9.345 -7.783
164 HG2 MET 25 1HG MET 25 3.898 -7.355 -8.334
165 HG3 MET 25 2HG MET 25 5.295 -6.326 -8.029
166 HE1 MET 25 3HE MET 25 7.828 -7.906 -9.245
167 HE2 MET 25 1HE MET 25 7.320 -6.215 -9.181
168 HE3 MET 25 2HE MET 25 7.762 -6.947 -10.720
169 H GLU 26 H GLU 26 3.587 -9.170 -4.037
170 HA GLU 26 HA GLU 26 5.167 -11.592 -3.781
171 HB2 GLU 26 1HB GLU 26 5.728 -11.178 -1.426
172 HB3 GLU 26 2HB GLU 26 6.463 -9.960 -2.470
173 HG2 GLU 26 1HG GLU 26 4.531 -8.447 -1.985
174 HG3 GLU 26 2HG GLU 26 3.921 -9.645 -0.847
175 H PHE 27 H PHE 27 4.332 -12.703 -1.620
176 HA PHE 27 HA PHE 27 1.649 -13.396 -2.057
177 HB2 PHE 27 2HB PHE 27 3.237 -14.875 -0.899
178 HB3 PHE 27 1HB PHE 27 3.299 -13.750 0.458
179 HD1 PHE 27 1HD PHE 27 0.884 -15.742 -1.586
180 HD2 PHE 27 2HD PHE 27 1.756 -13.959 2.223
181 HE1 PHE 27 1HE PHE 27 -1.144 -16.800 -0.629
182 HE2 PHE 27 2HE PHE 27 -0.276 -15.011 3.180
183 HZ PHE 27 HZ PHE 27 -1.727 -16.432 1.753
184 H ILE 28 H ILE 28 3.108 -11.279 0.399
185 HA ILE 28 HA ILE 28 0.435 -10.118 0.873
186 HB ILE 28 HB ILE 28 1.378 -9.635 3.220
187 HG12 ILE 28 1HG1 ILE 28 3.124 -12.000 2.491
188 HG13 ILE 28 2HG1 ILE 28 3.721 -10.341 2.524
189 HG21 ILE 28 1HG2 ILE 28 0.294 -12.140 2.065
190 HG22 ILE 28 2HG2 ILE 28 -0.326 -11.147 3.384
191 HG23 ILE 28 3HG2 ILE 28 0.984 -12.287 3.682
192 HD11 ILE 28 3HD1 ILE 28 2.517 -11.873 4.848
193 HD12 ILE 28 1HD1 ILE 28 2.963 -10.168 4.904
194 HD13 ILE 28 2HD1 ILE 28 4.205 -11.397 4.666
195 HA PRO 29 HA PRO 29 3.295 -6.802 -0.741
196 HB2 PRO 29 2HB PRO 29 0.618 -5.746 -1.488
197 HB3 PRO 29 1HB PRO 29 2.098 -5.835 -2.456
198 HG2 PRO 29 2HG PRO 29 0.067 -7.482 -2.894
199 HG3 PRO 29 1HG PRO 29 1.743 -8.059 -3.008
200 HD2 PRO 29 2HD PRO 29 -0.259 -8.490 -0.814
201 HD3 PRO 29 1HD PRO 29 0.969 -9.604 -1.453
202 H HIS 30 H HIS 30 3.660 -4.768 0.144
203 HA HIS 30 HA HIS 30 1.680 -3.815 2.132
204 HB2 HIS 30 1HB HIS 30 4.684 -3.849 2.470
205 HB3 HIS 30 2HB HIS 30 3.541 -3.104 3.574
206 HD1 HIS 30 HD1 HIS 30 4.881 -6.415 2.512
207 HD2 HIS 30 HD2 HIS 30 1.890 -4.952 5.020
208 HE1 HIS 30 HE1 HIS 30 4.132 -8.364 3.945
209 H CYS 31 H CYS 31 1.539 -1.574 2.385
210 HA CYS 31 HA CYS 31 2.000 -0.045 0.034
211 HB2 CYS 31 2HB CYS 31 1.257 0.699 2.853
212 HB3 CYS 31 1HB CYS 31 1.415 1.903 1.586
213 H LYS 32 H LYS 32 3.910 0.692 -0.672
214 HA LYS 32 HA LYS 32 5.885 1.622 1.349
215 HB2 LYS 32 1HB LYS 32 6.458 0.295 -1.291
216 HB3 LYS 32 2HB LYS 32 7.672 0.905 -0.184
217 HG2 LYS 32 1HG LYS 32 5.692 -1.302 0.392
218 HG3 LYS 32 2HG LYS 32 7.388 -1.536 0.008
219 HD2 LYS 32 1HD LYS 32 7.848 0.058 2.017
220 HD3 LYS 32 2HD LYS 32 6.187 -0.309 2.489
221 HE2 LYS 32 1HE LYS 32 6.700 -2.705 2.495
222 HE3 LYS 32 2HE LYS 32 8.355 -2.363 2.006
223 HZ1 LYS 32 3HZ LYS 32 7.487 -0.876 4.314
224 HZ2 LYS 32 1HZ LYS 32 8.916 -1.757 4.064
225 HZ3 LYS 32 2HZ LYS 32 7.502 -2.559 4.555
226 H LYS 33 H LYS 33 6.443 3.695 1.171
227 HA LYS 33 HA LYS 33 5.368 5.340 -0.883
228 HB2 LYS 33 1HB LYS 33 5.814 6.128 1.427
229 HB3 LYS 33 2HB LYS 33 7.542 6.013 1.103
230 HG2 LYS 33 1HG LYS 33 7.418 7.688 -0.613
231 HG3 LYS 33 2HG LYS 33 5.653 7.660 -0.593
232 HD2 LYS 33 1HD LYS 33 6.875 8.210 2.033
233 HD3 LYS 33 2HD LYS 33 7.192 9.448 0.816
234 HE2 LYS 33 1HE LYS 33 4.821 9.709 0.381
235 HE3 LYS 33 2HE LYS 33 4.435 8.353 1.435
236 HZ1 LYS 33 3HZ LYS 33 6.030 10.256 2.799
237 HZ2 LYS 33 1HZ LYS 33 4.483 9.682 3.192
238 HZ3 LYS 33 2HZ LYS 33 4.653 11.009 2.146
239 H TYR 34 H TYR 34 6.142 5.928 -2.776
240 HA TYR 34 HA TYR 34 8.999 5.796 -3.340
241 HB2 TYR 34 2HB TYR 34 8.808 4.343 -5.155
242 HB3 TYR 34 1HB TYR 34 7.829 3.615 -3.910
243 HD1 TYR 34 1HD TYR 34 7.887 4.108 -7.277
244 HD2 TYR 34 2HD TYR 34 5.283 4.820 -3.932
245 HE1 TYR 34 1HE TYR 34 5.926 4.117 -8.785
246 HE2 TYR 34 2HE TYR 34 3.339 4.826 -5.438
247 HH TYR 34 HH TYR 34 2.809 5.175 -7.769
248 H LYS 35 H LYS 35 6.063 7.323 -3.549
249 HA LYS 35 HA LYS 35 7.071 9.111 -5.674
250 HB2 LYS 35 1HB LYS 35 4.627 7.596 -5.621
251 HB3 LYS 35 2HB LYS 35 4.267 9.318 -5.685
252 HG2 LYS 35 1HG LYS 35 4.510 8.414 -7.934
253 HG3 LYS 35 2HG LYS 35 5.796 9.569 -7.600
254 HD2 LYS 35 1HD LYS 35 7.428 7.954 -7.610
255 HD3 LYS 35 2HD LYS 35 6.363 6.730 -6.923
256 HE2 LYS 35 1HE LYS 35 6.297 7.748 -9.783
257 HE3 LYS 35 2HE LYS 35 6.937 6.192 -9.262
258 HZ1 LYS 35 3HZ LYS 35 4.897 5.401 -9.519
259 HZ2 LYS 35 1HZ LYS 35 4.246 6.950 -9.762
260 HZ3 LYS 35 2HZ LYS 35 4.414 6.339 -8.187
261 HA PRO 36 HA PRO 36 6.158 11.559 -1.841
262 HB2 PRO 36 2HB PRO 36 8.638 12.598 -1.469
263 HB3 PRO 36 1HB PRO 36 8.180 10.995 -0.855
264 HG2 PRO 36 2HG PRO 36 9.789 11.721 -3.244
265 HG3 PRO 36 1HG PRO 36 9.976 10.367 -2.118
266 HD2 PRO 36 2HD PRO 36 8.794 10.178 -4.620
267 HD3 PRO 36 1HD PRO 36 8.532 9.033 -3.290
268 H TYR 37 H TYR 37 6.683 14.003 -1.541
269 HA TYR 37 HA TYR 37 6.441 15.318 -4.179
270 HB2 TYR 37 2HB TYR 37 5.411 16.097 -1.445
271 HB3 TYR 37 1HB TYR 37 5.274 17.108 -2.885
272 HD1 TYR 37 1HD TYR 37 4.345 13.816 -1.429
273 HD2 TYR 37 2HD TYR 37 3.624 16.675 -4.553
274 HE1 TYR 37 1HE TYR 37 2.315 12.567 -2.107
275 HE2 TYR 37 2HE TYR 37 1.601 15.416 -5.240
276 HH TYR 37 HH TYR 37 -0.065 13.725 -3.838
277 H VAL 38 H VAL 38 7.757 17.043 -4.673
278 HA VAL 38 HA VAL 38 10.237 17.206 -3.348
279 HB VAL 38 HB VAL 38 9.018 19.155 -5.307
280 HG11 VAL 38 1HG1 VAL 38 11.440 19.607 -5.805
281 HG12 VAL 38 2HG1 VAL 38 11.861 18.611 -4.413
282 HG13 VAL 38 3HG1 VAL 38 10.947 20.101 -4.185
283 HG21 VAL 38 3HG2 VAL 38 10.975 17.449 -6.475
284 HG22 VAL 38 1HG2 VAL 38 9.251 17.515 -6.838
285 HG23 VAL 38 2HG2 VAL 38 9.851 16.415 -5.595
286 HA PRO 39 HA PRO 39 8.782 20.143 -0.221
287 HB2 PRO 39 2HB PRO 39 11.068 20.367 1.220
288 HB3 PRO 39 1HB PRO 39 10.021 18.936 1.309
289 HG2 PRO 39 2HG PRO 39 12.569 19.328 -0.178
290 HG3 PRO 39 1HG PRO 39 11.988 17.913 0.716
291 HD2 PRO 39 2HD PRO 39 11.865 18.149 -2.021
292 HD3 PRO 39 1HD PRO 39 10.766 17.122 -1.061
293 H VAL 40 H VAL 40 9.304 22.344 0.494
294 HA VAL 40 HA VAL 40 11.077 23.804 -1.371
295 HB VAL 40 HB VAL 40 9.430 25.659 -1.338
296 HG11 VAL 40 1HG1 VAL 40 7.596 23.666 -2.285
297 HG12 VAL 40 2HG1 VAL 40 9.238 23.152 -2.679
298 HG13 VAL 40 3HG1 VAL 40 8.649 24.721 -3.227
299 HG21 VAL 40 3HG2 VAL 40 8.318 25.206 0.772
300 HG22 VAL 40 1HG2 VAL 40 7.788 23.623 0.203
301 HG23 VAL 40 2HG2 VAL 40 7.118 25.088 -0.514
302 H THR 41 H THR 41 11.926 25.808 -0.547
303 HA THR 41 HA THR 41 12.819 25.626 2.142
304 HB THR 41 HB THR 41 14.059 26.740 0.264
305 HG1 THR 41 1HG THR 41 14.712 27.190 2.327
306 HG21 THR 41 3HG2 THR 41 11.914 27.948 -0.505
307 HG22 THR 41 1HG2 THR 41 13.415 28.874 -0.526
308 HG23 THR 41 2HG2 THR 41 12.256 29.101 0.784
309 H THR 42 H THR 42 10.235 27.409 0.560
310 HA THR 42 HA THR 42 9.609 28.931 2.956
311 HB THR 42 HB THR 42 7.624 28.870 0.785
312 HG1 THR 42 1HG THR 42 9.355 30.349 -0.293
313 HG21 THR 42 3HG2 THR 42 7.624 31.217 1.157
314 HG22 THR 42 1HG2 THR 42 9.230 31.179 1.885
315 HG23 THR 42 2HG2 THR 42 7.852 30.499 2.752
Start of MODEL 10
1 HA ASP 1 HA ASP 1 -12.079 2.778 5.423
2 HB2 ASP 1 1HB ASP 1 -10.327 5.184 5.520
3 HB3 ASP 1 2HB ASP 1 -12.071 5.075 5.293
4 H CYS 2 H CYS 2 -8.593 2.988 5.731
5 HA CYS 2 HA CYS 2 -8.263 1.895 3.055
6 HB2 CYS 2 2HB CYS 2 -6.710 3.664 2.344
7 HB3 CYS 2 1HB CYS 2 -8.331 4.303 2.604
8 H ALA 3 H ALA 3 -5.966 1.340 2.609
9 HA ALA 3 HA ALA 3 -4.743 0.274 5.012
10 HB1 ALA 3 3HB ALA 3 -4.753 -0.371 2.231
11 HB2 ALA 3 1HB ALA 3 -4.073 -1.299 3.567
12 HB3 ALA 3 2HB ALA 3 -3.082 -0.103 2.729
13 H LYS 4 H LYS 4 -3.101 1.153 6.101
14 HA LYS 4 HA LYS 4 -1.955 3.667 5.175
15 HB2 LYS 4 1HB LYS 4 -1.597 2.120 7.756
16 HB3 LYS 4 2HB LYS 4 -0.882 3.695 7.422
17 HG2 LYS 4 1HG LYS 4 -3.137 4.649 7.089
18 HG3 LYS 4 2HG LYS 4 -3.850 3.072 7.440
19 HD2 LYS 4 1HD LYS 4 -2.830 3.108 9.689
20 HD3 LYS 4 2HD LYS 4 -2.121 4.686 9.341
21 HE2 LYS 4 1HE LYS 4 -4.373 5.638 9.031
22 HE3 LYS 4 2HE LYS 4 -5.089 4.062 9.367
23 HZ1 LYS 4 3HZ LYS 4 -4.122 4.104 11.562
24 HZ2 LYS 4 1HZ LYS 4 -5.064 5.495 11.325
25 HZ3 LYS 4 2HZ LYS 4 -3.370 5.595 11.242
26 H GLU 5 H GLU 5 0.530 3.834 5.900
27 HA GLU 5 HA GLU 5 1.990 2.342 4.023
28 HB2 GLU 5 1HB GLU 5 2.734 4.521 4.909
29 HB3 GLU 5 2HB GLU 5 3.029 3.775 6.478
30 HG2 GLU 5 1HG GLU 5 4.710 2.298 5.515
31 HG3 GLU 5 2HG GLU 5 4.362 2.901 3.897
32 H GLY 6 H GLY 6 2.964 0.438 4.070
33 HA2 GLY 6 1HA GLY 6 4.044 -1.426 4.949
34 HA3 GLY 6 2HA GLY 6 3.659 -0.879 6.562
35 H GLU 7 H GLU 7 0.801 -0.570 5.050
36 HA GLU 7 HA GLU 7 -0.107 -3.148 6.099
37 HB2 GLU 7 1HB GLU 7 -1.703 -0.798 5.050
38 HB3 GLU 7 2HB GLU 7 -2.371 -2.241 5.814
39 HG2 GLU 7 1HG GLU 7 -0.992 -1.733 7.848
40 HG3 GLU 7 2HG GLU 7 -0.509 -0.219 7.087
41 H VAL 8 H VAL 8 -1.289 -4.645 4.892
42 HA VAL 8 HA VAL 8 -0.397 -4.991 2.236
43 HB VAL 8 HB VAL 8 -2.593 -6.381 3.766
44 HG11 VAL 8 1HG1 VAL 8 -3.182 -7.151 1.711
45 HG12 VAL 8 2HG1 VAL 8 -1.709 -8.115 1.821
46 HG13 VAL 8 3HG1 VAL 8 -1.692 -6.575 0.966
47 HG21 VAL 8 3HG2 VAL 8 -0.880 -8.165 3.977
48 HG22 VAL 8 1HG2 VAL 8 -0.337 -6.658 4.714
49 HG23 VAL 8 2HG2 VAL 8 0.278 -7.139 3.134
50 H CYS 9 H CYS 9 -1.238 -4.479 0.302
51 HA CYS 9 HA CYS 9 -4.003 -3.404 0.279
52 HB2 CYS 9 2HB CYS 9 -3.407 -1.373 -0.506
53 HB3 CYS 9 1HB CYS 9 -1.839 -1.745 0.196
54 H SER 10 H SER 10 -4.216 -2.780 -2.376
55 HA SER 10 HA SER 10 -4.617 -3.681 -4.438
56 HB2 SER 10 1HB SER 10 -2.133 -3.868 -4.473
57 HB3 SER 10 2HB SER 10 -2.272 -5.504 -3.851
58 HG SER 10 HG SER 10 -3.551 -4.558 -6.201
59 H TRP 11 H TRP 11 -3.370 -6.821 -3.668
60 HA TRP 11 HA TRP 11 -5.754 -8.133 -4.297
61 HB2 TRP 11 2HB TRP 11 -4.703 -10.134 -3.599
62 HB3 TRP 11 1HB TRP 11 -3.385 -9.112 -4.172
63 HD1 TRP 11 1HD TRP 11 -1.735 -8.083 -2.339
64 HE1 TRP 11 1HE TRP 11 -1.289 -8.716 0.117
65 HE3 TRP 11 3HE TRP 11 -5.786 -11.037 -1.464
66 HZ2 TRP 11 2HZ TRP 11 -2.500 -10.288 2.188
67 HZ3 TRP 11 3HZ TRP 11 -6.125 -12.097 0.750
68 HH2 TRP 11 2HH TRP 11 -4.486 -11.727 2.576
69 H GLY 12 H GLY 12 -4.572 -6.814 -1.283
70 HA2 GLY 12 1HA GLY 12 -6.740 -8.081 0.244
71 HA3 GLY 12 2HA GLY 12 -5.407 -7.147 0.911
72 H LYS 13 H LYS 13 -5.443 -4.815 0.598
73 HA LYS 13 HA LYS 13 -8.182 -3.737 0.294
74 HB2 LYS 13 1HB LYS 13 -6.047 -3.009 2.307
75 HB3 LYS 13 2HB LYS 13 -7.488 -2.036 2.020
76 HG2 LYS 13 1HG LYS 13 -8.913 -3.980 2.578
77 HG3 LYS 13 2HG LYS 13 -7.468 -4.947 2.876
78 HD2 LYS 13 1HD LYS 13 -6.796 -3.400 4.677
79 HD3 LYS 13 2HD LYS 13 -8.235 -2.425 4.378
80 HE2 LYS 13 1HE LYS 13 -9.665 -4.358 4.933
81 HE3 LYS 13 2HE LYS 13 -8.231 -5.340 5.222
82 HZ1 LYS 13 3HZ LYS 13 -8.134 -4.552 7.272
83 HZ2 LYS 13 1HZ LYS 13 -9.532 -3.629 7.003
84 HZ3 LYS 13 2HZ LYS 13 -8.001 -2.961 6.687
85 H LYS 14 H LYS 14 -7.826 -1.126 0.314
86 HA LYS 14 HA LYS 14 -6.018 -0.618 -1.973
87 HB2 LYS 14 1HB LYS 14 -8.499 0.850 -1.039
88 HB3 LYS 14 2HB LYS 14 -7.480 1.351 -2.388
89 HG2 LYS 14 1HG LYS 14 -7.912 -0.790 -3.525
90 HG3 LYS 14 2HG LYS 14 -8.923 -1.307 -2.176
91 HD2 LYS 14 1HD LYS 14 -10.445 0.591 -2.585
92 HD3 LYS 14 2HD LYS 14 -9.436 1.107 -3.938
93 HE2 LYS 14 1HE LYS 14 -9.859 -1.035 -5.080
94 HE3 LYS 14 2HE LYS 14 -10.857 -1.565 -3.726
95 HZ1 LYS 14 3HZ LYS 14 -11.657 0.998 -4.663
96 HZ2 LYS 14 1HZ LYS 14 -12.575 -0.420 -4.499
97 HZ3 LYS 14 2HZ LYS 14 -11.688 -0.142 -5.923
98 H CYS 15 H CYS 15 -4.326 0.611 -1.691
99 HA CYS 15 HA CYS 15 -3.606 1.618 0.854
100 HB2 CYS 15 2HB CYS 15 -2.188 0.943 -1.279
101 HB3 CYS 15 1HB CYS 15 -2.347 2.658 -1.634
102 H CYS 16 H CYS 16 -3.914 3.561 1.761
103 HA CYS 16 HA CYS 16 -5.890 5.308 0.947
104 HB2 CYS 16 2HB CYS 16 -4.191 5.062 3.120
105 HB3 CYS 16 1HB CYS 16 -3.780 6.640 2.450
106 H ASP 17 H ASP 17 -2.572 5.168 -0.063
107 HA ASP 17 HA ASP 17 -3.096 7.378 -1.936
108 HB2 ASP 17 1HB ASP 17 -0.805 7.177 0.009
109 HB3 ASP 17 2HB ASP 17 -0.664 8.109 -1.481
110 H LEU 18 H LEU 18 -3.373 5.464 -3.326
111 HA LEU 18 HA LEU 18 -1.264 3.669 -3.904
112 HB2 LEU 18 1HB LEU 18 -3.670 4.568 -5.498
113 HB3 LEU 18 2HB LEU 18 -2.563 3.323 -6.064
114 HG LEU 18 HG LEU 18 -3.864 3.141 -3.337
115 HD11 LEU 18 1HD1 LEU 18 -4.934 2.069 -5.967
116 HD12 LEU 18 2HD1 LEU 18 -5.656 3.374 -5.024
117 HD13 LEU 18 3HD1 LEU 18 -5.608 1.736 -4.371
118 HD21 LEU 18 3HD2 LEU 18 -2.060 1.557 -3.644
119 HD22 LEU 18 1HD2 LEU 18 -2.603 1.164 -5.272
120 HD23 LEU 18 2HD2 LEU 18 -3.553 0.661 -3.878
121 H ASP 19 H ASP 19 -1.797 6.949 -4.770
122 HA ASP 19 HA ASP 19 -0.250 6.963 -7.185
123 HB2 ASP 19 1HB ASP 19 -1.171 9.150 -5.313
124 HB3 ASP 19 2HB ASP 19 -0.264 9.465 -6.791
125 H ASN 20 H ASN 20 0.433 7.606 -3.768
126 HA ASN 20 HA ASN 20 3.264 8.092 -4.443
127 HB2 ASN 20 1HB ASN 20 1.770 8.525 -1.848
128 HB3 ASN 20 2HB ASN 20 3.456 8.917 -2.126
129 HD21 ASN 20 1HD2 ASN 20 0.842 11.706 -2.888
130 HD22 ASN 20 2HD2 ASN 20 0.714 10.480 -1.730
131 H PHE 21 H PHE 21 1.152 5.719 -3.168
132 HA PHE 21 HA PHE 21 3.476 4.188 -2.180
133 HB2 PHE 21 2HB PHE 21 0.602 4.073 -1.262
134 HB3 PHE 21 1HB PHE 21 1.843 2.928 -0.775
135 HD1 PHE 21 1HD PHE 21 1.224 6.615 -0.938
136 HD2 PHE 21 2HD PHE 21 3.137 3.375 1.126
137 HE1 PHE 21 1HE PHE 21 1.940 8.180 0.843
138 HE2 PHE 21 2HE PHE 21 3.866 4.946 2.902
139 HZ PHE 21 HZ PHE 21 3.265 7.344 2.762
140 H TYR 22 H TYR 22 3.580 1.978 -2.672
141 HA TYR 22 HA TYR 22 1.772 1.095 -4.841
142 HB2 TYR 22 2HB TYR 22 3.608 0.233 -6.071
143 HB3 TYR 22 1HB TYR 22 4.091 1.846 -5.588
144 HD1 TYR 22 1HD TYR 22 4.625 -1.776 -4.983
145 HD2 TYR 22 2HD TYR 22 5.781 2.222 -3.959
146 HE1 TYR 22 1HE TYR 22 6.687 -2.609 -3.995
147 HE2 TYR 22 2HE TYR 22 7.831 1.379 -2.947
148 HH TYR 22 HH TYR 22 8.613 -0.836 -1.917
149 H CYS 23 H CYS 23 1.699 -1.238 -5.106
150 HA CYS 23 HA CYS 23 1.966 -2.599 -2.524
151 HB2 CYS 23 2HB CYS 23 -0.137 -2.504 -4.427
152 HB3 CYS 23 1HB CYS 23 0.458 -4.164 -4.340
153 HA PRO 24 HA PRO 24 5.548 -4.496 -4.698
154 HB2 PRO 24 2HB PRO 24 5.414 -6.193 -2.251
155 HB3 PRO 24 1HB PRO 24 6.801 -5.367 -2.968
156 HG2 PRO 24 2HG PRO 24 5.565 -4.478 -0.775
157 HG3 PRO 24 1HG PRO 24 6.346 -3.401 -1.920
158 HD2 PRO 24 2HD PRO 24 3.484 -3.843 -1.404
159 HD3 PRO 24 1HD PRO 24 4.283 -2.438 -2.125
160 H MET 25 H MET 25 6.131 -7.029 -4.750
161 HA MET 25 HA MET 25 3.652 -8.543 -5.292
162 HB2 MET 25 1HB MET 25 4.736 -9.486 -7.310
163 HB3 MET 25 2HB MET 25 4.497 -7.741 -7.431
164 HG2 MET 25 1HG MET 25 6.847 -7.393 -6.702
165 HG3 MET 25 2HG MET 25 7.077 -9.141 -6.664
166 HE1 MET 25 3HE MET 25 9.108 -8.060 -9.782
167 HE2 MET 25 1HE MET 25 9.113 -8.932 -8.243
168 HE3 MET 25 2HE MET 25 8.898 -7.184 -8.269
169 H GLU 26 H GLU 26 5.158 -8.758 -2.928
170 HA GLU 26 HA GLU 26 6.548 -11.351 -3.272
171 HB2 GLU 26 1HB GLU 26 7.906 -9.468 -2.333
172 HB3 GLU 26 2HB GLU 26 6.791 -9.406 -0.969
173 HG2 GLU 26 1HG GLU 26 7.324 -11.731 -0.395
174 HG3 GLU 26 2HG GLU 26 8.397 -11.843 -1.789
175 H PHE 27 H PHE 27 4.318 -12.268 -3.304
176 HA PHE 27 HA PHE 27 2.655 -13.491 -2.307
177 HB2 PHE 27 2HB PHE 27 4.770 -14.187 -0.969
178 HB3 PHE 27 1HB PHE 27 4.080 -13.197 0.314
179 HD1 PHE 27 1HD PHE 27 3.312 -16.018 -2.005
180 HD2 PHE 27 2HD PHE 27 2.313 -14.024 1.665
181 HE1 PHE 27 1HE PHE 27 1.765 -17.866 -1.421
182 HE2 PHE 27 2HE PHE 27 0.767 -15.870 2.250
183 HZ PHE 27 HZ PHE 27 0.491 -17.792 0.706
184 H ILE 28 H ILE 28 3.660 -11.300 0.326
185 HA ILE 28 HA ILE 28 0.897 -10.256 0.412
186 HB ILE 28 HB ILE 28 1.512 -9.787 2.874
187 HG12 ILE 28 1HG1 ILE 28 3.420 -12.076 2.318
188 HG13 ILE 28 2HG1 ILE 28 3.953 -10.403 2.465
189 HG21 ILE 28 1HG2 ILE 28 0.720 -12.311 1.520
190 HG22 ILE 28 2HG2 ILE 28 -0.161 -11.342 2.700
191 HG23 ILE 28 3HG2 ILE 28 1.118 -12.432 3.235
192 HD11 ILE 28 3HD1 ILE 28 2.916 -10.303 4.728
193 HD12 ILE 28 1HD1 ILE 28 4.187 -11.522 4.624
194 HD13 ILE 28 2HD1 ILE 28 2.493 -12.009 4.582
195 HA PRO 29 HA PRO 29 3.663 -6.725 -0.802
196 HB2 PRO 29 2HB PRO 29 0.957 -5.714 -1.521
197 HB3 PRO 29 1HB PRO 29 2.452 -5.682 -2.467
198 HG2 PRO 29 2HG PRO 29 0.483 -7.359 -3.041
199 HG3 PRO 29 1HG PRO 29 2.178 -7.861 -3.195
200 HD2 PRO 29 2HD PRO 29 0.188 -8.568 -1.082
201 HD3 PRO 29 1HD PRO 29 1.502 -9.548 -1.770
202 H HIS 30 H HIS 30 3.855 -4.655 0.127
203 HA HIS 30 HA HIS 30 1.807 -3.918 2.116
204 HB2 HIS 30 1HB HIS 30 4.788 -3.922 2.620
205 HB3 HIS 30 2HB HIS 30 3.581 -3.197 3.670
206 HD1 HIS 30 HD1 HIS 30 5.252 -6.360 3.055
207 HD2 HIS 30 HD2 HIS 30 1.552 -5.167 4.555
208 HE1 HIS 30 HE1 HIS 30 4.310 -8.357 4.296
209 H CYS 31 H CYS 31 1.336 -1.783 2.243
210 HA CYS 31 HA CYS 31 1.830 -0.095 0.094
211 HB2 CYS 31 2HB CYS 31 0.959 0.368 2.923
212 HB3 CYS 31 1HB CYS 31 1.268 1.745 1.876
213 H LYS 32 H LYS 32 3.681 0.774 -0.578
214 HA LYS 32 HA LYS 32 5.600 1.714 1.452
215 HB2 LYS 32 1HB LYS 32 6.442 -0.391 0.567
216 HB3 LYS 32 2HB LYS 32 6.227 0.181 -1.070
217 HG2 LYS 32 1HG LYS 32 8.591 0.353 -0.398
218 HG3 LYS 32 2HG LYS 32 7.921 1.954 -0.682
219 HD2 LYS 32 1HD LYS 32 7.705 2.379 1.677
220 HD3 LYS 32 2HD LYS 32 8.050 0.694 2.074
221 HE2 LYS 32 1HE LYS 32 10.335 0.970 1.174
222 HE3 LYS 32 2HE LYS 32 9.971 2.650 0.774
223 HZ1 LYS 32 3HZ LYS 32 10.600 3.169 2.821
224 HZ2 LYS 32 1HZ LYS 32 10.745 1.537 3.265
225 HZ3 LYS 32 2HZ LYS 32 9.249 2.328 3.415
226 H LYS 33 H LYS 33 6.204 3.776 1.177
227 HA LYS 33 HA LYS 33 5.158 5.281 -1.013
228 HB2 LYS 33 1HB LYS 33 5.674 6.036 1.443
229 HB3 LYS 33 2HB LYS 33 7.289 6.337 0.811
230 HG2 LYS 33 1HG LYS 33 6.411 7.845 -0.876
231 HG3 LYS 33 2HG LYS 33 4.752 7.458 -0.421
232 HD2 LYS 33 1HD LYS 33 5.329 8.308 1.914
233 HD3 LYS 33 2HD LYS 33 6.814 8.951 1.207
234 HE2 LYS 33 1HE LYS 33 4.015 9.587 0.224
235 HE3 LYS 33 2HE LYS 33 4.986 10.644 1.255
236 HZ1 LYS 33 3HZ LYS 33 6.222 11.296 -0.466
237 HZ2 LYS 33 1HZ LYS 33 5.006 10.644 -1.452
238 HZ3 LYS 33 2HZ LYS 33 6.383 9.719 -1.081
239 H TYR 34 H TYR 34 6.086 5.887 -2.866
240 HA TYR 34 HA TYR 34 8.982 5.646 -3.196
241 HB2 TYR 34 2HB TYR 34 8.863 4.265 -5.090
242 HB3 TYR 34 1HB TYR 34 7.803 3.508 -3.918
243 HD1 TYR 34 1HD TYR 34 8.072 4.497 -7.256
244 HD2 TYR 34 2HD TYR 34 5.259 4.494 -3.998
245 HE1 TYR 34 1HE TYR 34 6.200 4.655 -8.862
246 HE2 TYR 34 2HE TYR 34 3.397 4.611 -5.611
247 HH TYR 34 HH TYR 34 3.844 5.426 -8.876
248 H LYS 35 H LYS 35 9.136 6.111 -5.879
249 HA LYS 35 HA LYS 35 8.105 8.858 -6.037
250 HB2 LYS 35 1HB LYS 35 10.382 7.512 -7.496
251 HB3 LYS 35 2HB LYS 35 9.932 9.208 -7.649
252 HG2 LYS 35 1HG LYS 35 11.542 9.426 -6.015
253 HG3 LYS 35 2HG LYS 35 10.152 9.119 -4.980
254 HD2 LYS 35 1HD LYS 35 11.548 7.517 -4.119
255 HD3 LYS 35 2HD LYS 35 10.904 6.556 -5.452
256 HE2 LYS 35 1HE LYS 35 13.467 8.189 -5.485
257 HE3 LYS 35 2HE LYS 35 13.354 6.428 -5.433
258 HZ1 LYS 35 3HZ LYS 35 13.695 6.970 -7.669
259 HZ2 LYS 35 1HZ LYS 35 12.581 8.248 -7.633
260 HZ3 LYS 35 2HZ LYS 35 12.031 6.642 -7.558
261 HA PRO 36 HA PRO 36 5.623 6.871 -9.338
262 HB2 PRO 36 2HB PRO 36 3.592 8.657 -9.420
263 HB3 PRO 36 1HB PRO 36 3.720 7.426 -8.148
264 HG2 PRO 36 2HG PRO 36 4.399 10.318 -8.058
265 HG3 PRO 36 1HG PRO 36 3.638 9.296 -6.829
266 HD2 PRO 36 2HD PRO 36 6.306 10.008 -6.824
267 HD3 PRO 36 1HD PRO 36 5.656 8.577 -5.997
268 H TYR 37 H TYR 37 5.037 7.474 -11.523
269 HA TYR 37 HA TYR 37 6.374 9.925 -12.498
270 HB2 TYR 37 2HB TYR 37 6.361 7.189 -13.792
271 HB3 TYR 37 1HB TYR 37 7.054 8.649 -14.495
272 HD1 TYR 37 1HD TYR 37 7.421 6.072 -11.903
273 HD2 TYR 37 2HD TYR 37 9.073 9.675 -13.554
274 HE1 TYR 37 1HE TYR 37 9.526 5.678 -10.655
275 HE2 TYR 37 2HE TYR 37 11.178 9.283 -12.304
276 HH TYR 37 HH TYR 37 12.391 7.318 -11.321
277 H VAL 38 H VAL 38 5.384 10.995 -14.195
278 HA VAL 38 HA VAL 38 2.761 9.960 -15.083
279 HB VAL 38 HB VAL 38 2.364 11.651 -13.369
280 HG11 VAL 38 1HG1 VAL 38 3.615 13.518 -13.164
281 HG12 VAL 38 2HG1 VAL 38 3.421 13.922 -14.871
282 HG13 VAL 38 3HG1 VAL 38 4.693 12.809 -14.365
283 HG21 VAL 38 3HG2 VAL 38 1.343 11.648 -15.958
284 HG22 VAL 38 1HG2 VAL 38 1.760 13.338 -15.680
285 HG23 VAL 38 2HG2 VAL 38 0.657 12.511 -14.580
286 HA PRO 39 HA PRO 39 5.518 11.423 -18.579
287 HB2 PRO 39 2HB PRO 39 5.557 9.105 -20.004
288 HB3 PRO 39 1HB PRO 39 6.704 9.449 -18.696
289 HG2 PRO 39 2HG PRO 39 4.244 7.771 -18.662
290 HG3 PRO 39 1HG PRO 39 5.822 7.478 -17.911
291 HD2 PRO 39 2HD PRO 39 3.655 8.411 -16.524
292 HD3 PRO 39 1HD PRO 39 5.331 8.768 -16.061
293 H VAL 40 H VAL 40 4.872 11.926 -20.718
294 HA VAL 40 HA VAL 40 2.009 12.009 -21.104
295 HB VAL 40 HB VAL 40 4.303 12.981 -22.824
296 HG11 VAL 40 1HG1 VAL 40 1.327 12.991 -23.169
297 HG12 VAL 40 2HG1 VAL 40 2.595 12.798 -24.381
298 HG13 VAL 40 3HG1 VAL 40 2.244 14.395 -23.720
299 HG21 VAL 40 3HG2 VAL 40 3.572 13.980 -20.441
300 HG22 VAL 40 1HG2 VAL 40 2.354 14.771 -21.439
301 HG23 VAL 40 2HG2 VAL 40 4.068 15.023 -21.774
302 H THR 41 H THR 41 0.821 10.640 -22.269
303 HA THR 41 HA THR 41 2.223 8.647 -23.943
304 HB THR 41 HB THR 41 -0.487 8.499 -22.604
305 HG1 THR 41 1HG THR 41 0.740 7.934 -21.006
306 HG21 THR 41 3HG2 THR 41 0.130 5.964 -23.320
307 HG22 THR 41 1HG2 THR 41 0.899 6.844 -24.639
308 HG23 THR 41 2HG2 THR 41 -0.826 7.044 -24.335
309 H THR 42 H THR 42 1.904 8.689 -26.069
310 HA THR 42 HA THR 42 0.157 10.658 -27.242
311 HB THR 42 HB THR 42 2.132 10.381 -28.458
312 HG1 THR 42 1HG THR 42 1.443 9.141 -30.362
313 HG21 THR 42 3HG2 THR 42 2.797 7.967 -29.178
314 HG22 THR 42 1HG2 THR 42 1.730 7.456 -27.872
315 HG23 THR 42 2HG2 THR 42 3.128 8.474 -27.521
Start of MODEL 11
1 HA ASP 1 HA ASP 1 -11.824 1.767 5.653
2 HB2 ASP 1 1HB ASP 1 -12.124 4.057 4.814
3 HB3 ASP 1 2HB ASP 1 -12.289 4.015 6.569
4 H CYS 2 H CYS 2 -8.478 2.522 5.869
5 HA CYS 2 HA CYS 2 -8.060 1.536 3.156
6 HB2 CYS 2 2HB CYS 2 -6.702 3.421 2.461
7 HB3 CYS 2 1HB CYS 2 -8.303 4.008 2.907
8 H ALA 3 H ALA 3 -5.718 1.149 2.724
9 HA ALA 3 HA ALA 3 -4.432 0.195 5.175
10 HB1 ALA 3 3HB ALA 3 -3.497 -1.403 3.866
11 HB2 ALA 3 1HB ALA 3 -3.076 -0.250 2.599
12 HB3 ALA 3 2HB ALA 3 -4.709 -0.912 2.682
13 H LYS 4 H LYS 4 -2.983 1.433 6.184
14 HA LYS 4 HA LYS 4 -1.838 3.769 4.922
15 HB2 LYS 4 1HB LYS 4 -1.348 2.544 7.649
16 HB3 LYS 4 2HB LYS 4 -0.734 4.106 7.108
17 HG2 LYS 4 1HG LYS 4 -3.042 4.899 6.758
18 HG3 LYS 4 2HG LYS 4 -3.660 3.339 7.304
19 HD2 LYS 4 1HD LYS 4 -2.596 3.671 9.498
20 HD3 LYS 4 2HD LYS 4 -1.956 5.223 8.960
21 HE2 LYS 4 1HE LYS 4 -4.002 5.580 10.257
22 HE3 LYS 4 2HE LYS 4 -4.280 6.017 8.571
23 HZ1 LYS 4 3HZ LYS 4 -5.787 4.294 10.023
24 HZ2 LYS 4 1HZ LYS 4 -4.800 3.250 9.121
25 HZ3 LYS 4 2HZ LYS 4 -5.766 4.398 8.327
26 H GLU 5 H GLU 5 0.684 4.010 5.714
27 HA GLU 5 HA GLU 5 2.131 2.436 3.906
28 HB2 GLU 5 1HB GLU 5 2.894 4.639 4.707
29 HB3 GLU 5 2HB GLU 5 3.194 3.949 6.303
30 HG2 GLU 5 1HG GLU 5 4.434 2.708 3.853
31 HG3 GLU 5 2HG GLU 5 5.174 4.112 4.605
32 H GLY 6 H GLY 6 3.203 0.581 4.040
33 HA2 GLY 6 1HA GLY 6 4.162 -1.323 4.921
34 HA3 GLY 6 2HA GLY 6 3.942 -0.665 6.529
35 H GLU 7 H GLU 7 1.020 -0.444 4.939
36 HA GLU 7 HA GLU 7 0.022 -2.773 6.415
37 HB2 GLU 7 1HB GLU 7 -1.545 -0.642 4.938
38 HB3 GLU 7 2HB GLU 7 -2.193 -1.855 6.043
39 HG2 GLU 7 1HG GLU 7 -0.175 0.273 6.801
40 HG3 GLU 7 2HG GLU 7 -1.898 0.336 7.159
41 H VAL 8 H VAL 8 -1.360 -4.330 5.449
42 HA VAL 8 HA VAL 8 -0.444 -5.303 2.975
43 HB VAL 8 HB VAL 8 -2.907 -5.971 4.588
44 HG11 VAL 8 1HG1 VAL 8 -2.506 -8.146 3.039
45 HG12 VAL 8 2HG1 VAL 8 -1.961 -6.894 1.922
46 HG13 VAL 8 3HG1 VAL 8 -3.597 -6.840 2.579
47 HG21 VAL 8 3HG2 VAL 8 -1.616 -7.871 5.315
48 HG22 VAL 8 1HG2 VAL 8 -0.588 -6.451 5.513
49 HG23 VAL 8 2HG2 VAL 8 -0.349 -7.531 4.138
50 H CYS 9 H CYS 9 -1.123 -5.046 0.909
51 HA CYS 9 HA CYS 9 -3.673 -3.627 0.447
52 HB2 CYS 9 2HB CYS 9 -2.644 -2.095 -1.132
53 HB3 CYS 9 1HB CYS 9 -1.843 -1.937 0.431
54 H SER 10 H SER 10 -4.259 -3.703 -1.906
55 HA SER 10 HA SER 10 -4.563 -4.806 -3.908
56 HB2 SER 10 1HB SER 10 -2.302 -6.684 -3.343
57 HB3 SER 10 2HB SER 10 -2.864 -6.030 -4.876
58 HG SER 10 HG SER 10 -2.073 -3.987 -4.179
59 H TRP 11 H TRP 11 -4.000 -6.577 -0.962
60 HA TRP 11 HA TRP 11 -5.206 -9.028 -1.812
61 HB2 TRP 11 2HB TRP 11 -3.959 -7.974 0.561
62 HB3 TRP 11 1HB TRP 11 -5.448 -8.797 0.999
63 HD1 TRP 11 1HD TRP 11 -2.020 -9.591 0.795
64 HE1 TRP 11 1HE TRP 11 -1.595 -12.064 0.192
65 HE3 TRP 11 3HE TRP 11 -6.613 -10.841 -1.017
66 HZ2 TRP 11 2HZ TRP 11 -3.025 -14.282 -0.919
67 HZ3 TRP 11 3HZ TRP 11 -7.062 -13.140 -1.844
68 HH2 TRP 11 2HH TRP 11 -5.275 -14.857 -1.799
69 H GLY 12 H GLY 12 -6.783 -6.810 -2.575
70 HA2 GLY 12 1HA GLY 12 -9.156 -6.756 -2.765
71 HA3 GLY 12 2HA GLY 12 -9.278 -7.494 -1.170
72 H LYS 13 H LYS 13 -6.953 -5.288 -0.746
73 HA LYS 13 HA LYS 13 -8.858 -3.153 0.019
74 HB2 LYS 13 1HB LYS 13 -6.559 -4.388 1.436
75 HB3 LYS 13 2HB LYS 13 -6.739 -2.641 1.598
76 HG2 LYS 13 1HG LYS 13 -7.968 -3.876 3.375
77 HG3 LYS 13 2HG LYS 13 -9.050 -2.921 2.360
78 HD2 LYS 13 1HD LYS 13 -9.950 -4.785 1.320
79 HD3 LYS 13 2HD LYS 13 -8.501 -5.757 1.576
80 HE2 LYS 13 1HE LYS 13 -10.346 -6.522 3.029
81 HE3 LYS 13 2HE LYS 13 -9.006 -5.891 3.987
82 HZ1 LYS 13 3HZ LYS 13 -11.689 -4.929 3.761
83 HZ2 LYS 13 1HZ LYS 13 -10.551 -3.705 3.477
84 HZ3 LYS 13 2HZ LYS 13 -10.508 -4.580 4.932
85 H LYS 14 H LYS 14 -8.125 -0.973 -0.161
86 HA LYS 14 HA LYS 14 -6.046 -0.610 -2.236
87 HB2 LYS 14 1HB LYS 14 -8.475 1.064 -1.542
88 HB3 LYS 14 2HB LYS 14 -7.239 1.541 -2.706
89 HG2 LYS 14 1HG LYS 14 -7.695 -0.500 -4.026
90 HG3 LYS 14 2HG LYS 14 -8.942 -0.963 -2.868
91 HD2 LYS 14 1HD LYS 14 -10.194 1.098 -3.373
92 HD3 LYS 14 2HD LYS 14 -8.945 1.582 -4.519
93 HE2 LYS 14 1HE LYS 14 -9.393 -0.442 -5.863
94 HE3 LYS 14 2HE LYS 14 -10.644 -0.925 -4.719
95 HZ1 LYS 14 3HZ LYS 14 -11.596 0.207 -6.620
96 HZ2 LYS 14 1HZ LYS 14 -10.630 1.571 -6.328
97 HZ3 LYS 14 2HZ LYS 14 -11.830 1.126 -5.210
98 H CYS 15 H CYS 15 -4.419 0.778 -1.925
99 HA CYS 15 HA CYS 15 -3.744 1.493 0.763
100 HB2 CYS 15 2HB CYS 15 -2.223 0.891 -1.274
101 HB3 CYS 15 1HB CYS 15 -2.385 2.598 -1.665
102 H CYS 16 H CYS 16 -4.178 3.341 1.812
103 HA CYS 16 HA CYS 16 -6.027 5.192 1.119
104 HB2 CYS 16 2HB CYS 16 -4.097 4.945 3.146
105 HB3 CYS 16 1HB CYS 16 -3.891 6.564 2.479
106 H ASP 17 H ASP 17 -2.705 5.105 0.032
107 HA ASP 17 HA ASP 17 -3.335 7.284 -1.850
108 HB2 ASP 17 1HB ASP 17 -1.144 7.185 0.164
109 HB3 ASP 17 2HB ASP 17 -0.764 7.845 -1.425
110 H LEU 18 H LEU 18 -3.458 5.928 -3.612
111 HA LEU 18 HA LEU 18 -1.370 3.975 -4.112
112 HB2 LEU 18 1HB LEU 18 -3.845 4.821 -5.624
113 HB3 LEU 18 2HB LEU 18 -2.699 3.647 -6.269
114 HG LEU 18 HG LEU 18 -3.891 3.314 -3.507
115 HD11 LEU 18 1HD1 LEU 18 -5.003 2.286 -6.135
116 HD12 LEU 18 2HD1 LEU 18 -5.751 3.519 -5.120
117 HD13 LEU 18 3HD1 LEU 18 -5.601 1.863 -4.530
118 HD21 LEU 18 3HD2 LEU 18 -1.935 1.910 -4.947
119 HD22 LEU 18 1HD2 LEU 18 -3.396 0.950 -5.153
120 HD23 LEU 18 2HD2 LEU 18 -2.809 1.319 -3.536
121 H ASP 19 H ASP 19 -1.738 7.266 -4.603
122 HA ASP 19 HA ASP 19 -0.175 7.338 -7.076
123 HB2 ASP 19 1HB ASP 19 -0.549 9.756 -6.982
124 HB3 ASP 19 2HB ASP 19 -2.073 8.882 -6.829
125 H ASN 20 H ASN 20 0.563 6.833 -3.959
126 HA ASN 20 HA ASN 20 3.203 8.101 -4.267
127 HB2 ASN 20 1HB ASN 20 1.503 8.246 -1.775
128 HB3 ASN 20 2HB ASN 20 3.165 8.785 -1.893
129 HD21 ASN 20 1HD2 ASN 20 0.239 11.258 -2.937
130 HD22 ASN 20 2HD2 ASN 20 0.009 9.845 -2.033
131 H PHE 21 H PHE 21 1.206 5.538 -3.132
132 HA PHE 21 HA PHE 21 3.602 4.101 -2.180
133 HB2 PHE 21 2HB PHE 21 0.727 3.840 -1.289
134 HB3 PHE 21 1HB PHE 21 2.034 2.776 -0.775
135 HD1 PHE 21 1HD PHE 21 0.921 6.333 -0.803
136 HD2 PHE 21 2HD PHE 21 3.526 3.414 0.957
137 HE1 PHE 21 1HE PHE 21 1.524 7.949 0.970
138 HE2 PHE 21 2HE PHE 21 4.137 5.032 2.729
139 HZ PHE 21 HZ PHE 21 3.136 7.298 2.739
140 H TYR 22 H TYR 22 3.712 1.847 -2.657
141 HA TYR 22 HA TYR 22 1.965 0.978 -4.881
142 HB2 TYR 22 2HB TYR 22 3.836 0.106 -6.063
143 HB3 TYR 22 1HB TYR 22 4.290 1.737 -5.587
144 HD1 TYR 22 1HD TYR 22 4.808 -1.873 -4.873
145 HD2 TYR 22 2HD TYR 22 5.935 2.161 -3.955
146 HE1 TYR 22 1HE TYR 22 6.857 -2.664 -3.832
147 HE2 TYR 22 2HE TYR 22 7.967 1.357 -2.884
148 HH TYR 22 HH TYR 22 8.482 -1.981 -2.199
149 H CYS 23 H CYS 23 1.917 -1.362 -5.162
150 HA CYS 23 HA CYS 23 2.113 -2.725 -2.577
151 HB2 CYS 23 2HB CYS 23 0.477 -3.308 -5.037
152 HB3 CYS 23 1HB CYS 23 0.591 -4.395 -3.656
153 HA PRO 24 HA PRO 24 5.841 -4.630 -4.476
154 HB2 PRO 24 2HB PRO 24 5.479 -6.314 -2.030
155 HB3 PRO 24 1HB PRO 24 6.942 -5.542 -2.657
156 HG2 PRO 24 2HG PRO 24 5.682 -4.533 -0.582
157 HG3 PRO 24 1HG PRO 24 6.395 -3.491 -1.805
158 HD2 PRO 24 2HD PRO 24 3.520 -4.141 -1.336
159 HD3 PRO 24 1HD PRO 24 4.260 -2.643 -1.927
160 H MET 25 H MET 25 6.214 -6.514 -5.582
161 HA MET 25 HA MET 25 3.907 -8.153 -6.176
162 HB2 MET 25 1HB MET 25 5.569 -9.326 -7.714
163 HB3 MET 25 2HB MET 25 5.256 -7.625 -8.050
164 HG2 MET 25 1HG MET 25 7.309 -6.976 -6.895
165 HG3 MET 25 2HG MET 25 7.599 -8.647 -6.417
166 HE1 MET 25 3HE MET 25 7.984 -6.584 -10.414
167 HE2 MET 25 1HE MET 25 6.917 -6.209 -9.056
168 HE3 MET 25 2HE MET 25 6.424 -7.387 -10.268
169 H GLU 26 H GLU 26 3.950 -8.807 -3.763
170 HA GLU 26 HA GLU 26 5.369 -11.373 -3.583
171 HB2 GLU 26 1HB GLU 26 5.143 -9.266 -1.427
172 HB3 GLU 26 2HB GLU 26 5.667 -10.925 -1.135
173 HG2 GLU 26 1HG GLU 26 7.524 -10.638 -2.716
174 HG3 GLU 26 2HG GLU 26 6.987 -8.996 -3.065
175 H PHE 27 H PHE 27 4.425 -12.546 -1.537
176 HA PHE 27 HA PHE 27 1.771 -13.236 -2.126
177 HB2 PHE 27 2HB PHE 27 3.358 -14.727 -0.941
178 HB3 PHE 27 1HB PHE 27 3.264 -13.678 0.475
179 HD1 PHE 27 1HD PHE 27 1.090 -15.606 -1.882
180 HD2 PHE 27 2HD PHE 27 1.599 -14.062 2.094
181 HE1 PHE 27 1HE PHE 27 -0.967 -16.786 -1.164
182 HE2 PHE 27 2HE PHE 27 -0.462 -15.245 2.814
183 HZ PHE 27 HZ PHE 27 -1.744 -16.605 1.185
184 H ILE 28 H ILE 28 3.123 -11.133 0.384
185 HA ILE 28 HA ILE 28 0.419 -10.021 0.823
186 HB ILE 28 HB ILE 28 1.297 -9.575 3.199
187 HG12 ILE 28 1HG1 ILE 28 3.104 -11.896 2.479
188 HG13 ILE 28 2HG1 ILE 28 3.673 -10.230 2.541
189 HG21 ILE 28 1HG2 ILE 28 -0.382 -11.120 3.284
190 HG22 ILE 28 2HG2 ILE 28 0.945 -12.241 3.597
191 HG23 ILE 28 3HG2 ILE 28 0.296 -12.073 1.965
192 HD11 ILE 28 3HD1 ILE 28 2.456 -11.813 4.819
193 HD12 ILE 28 1HD1 ILE 28 2.833 -10.094 4.902
194 HD13 ILE 28 2HD1 ILE 28 4.127 -11.271 4.685
195 HA PRO 29 HA PRO 29 3.343 -6.720 -0.732
196 HB2 PRO 29 2HB PRO 29 0.662 -5.649 -1.486
197 HB3 PRO 29 1HB PRO 29 2.153 -5.723 -2.443
198 HG2 PRO 29 2HG PRO 29 0.139 -7.372 -2.923
199 HG3 PRO 29 1HG PRO 29 1.812 -7.944 -3.017
200 HD2 PRO 29 2HD PRO 29 -0.216 -8.408 -0.864
201 HD3 PRO 29 1HD PRO 29 1.038 -9.503 -1.492
202 H HIS 30 H HIS 30 3.830 -4.823 0.332
203 HA HIS 30 HA HIS 30 1.816 -3.834 2.275
204 HB2 HIS 30 1HB HIS 30 4.818 -3.889 2.644
205 HB3 HIS 30 2HB HIS 30 3.649 -3.190 3.753
206 HD1 HIS 30 HD1 HIS 30 5.125 -6.439 2.748
207 HD2 HIS 30 HD2 HIS 30 1.877 -5.093 4.986
208 HE1 HIS 30 HE1 HIS 30 4.303 -8.431 4.083
209 H CYS 31 H CYS 31 1.341 -1.728 2.214
210 HA CYS 31 HA CYS 31 1.940 -0.117 0.031
211 HB2 CYS 31 2HB CYS 31 1.034 0.505 2.823
212 HB3 CYS 31 1HB CYS 31 1.330 1.799 1.673
213 H LYS 32 H LYS 32 3.815 0.704 -0.618
214 HA LYS 32 HA LYS 32 5.711 1.699 1.429
215 HB2 LYS 32 1HB LYS 32 6.529 -0.443 0.579
216 HB3 LYS 32 2HB LYS 32 6.367 0.134 -1.062
217 HG2 LYS 32 1HG LYS 32 8.708 0.292 -0.332
218 HG3 LYS 32 2HG LYS 32 8.055 1.901 -0.612
219 HD2 LYS 32 1HD LYS 32 7.908 2.386 1.677
220 HD3 LYS 32 2HD LYS 32 7.915 0.683 2.136
221 HE2 LYS 32 1HE LYS 32 10.079 1.709 2.674
222 HE3 LYS 32 2HE LYS 32 10.283 0.516 1.393
223 HZ1 LYS 32 3HZ LYS 32 9.665 2.952 0.192
224 HZ2 LYS 32 1HZ LYS 32 11.130 2.101 0.126
225 HZ3 LYS 32 2HZ LYS 32 10.877 3.259 1.341
226 H LYS 33 H LYS 33 6.311 3.731 1.116
227 HA LYS 33 HA LYS 33 5.289 5.273 -1.033
228 HB2 LYS 33 1HB LYS 33 5.811 6.082 1.299
229 HB3 LYS 33 2HB LYS 33 7.511 6.068 0.845
230 HG2 LYS 33 1HG LYS 33 7.052 7.600 -1.014
231 HG3 LYS 33 2HG LYS 33 5.338 7.608 -0.607
232 HD2 LYS 33 1HD LYS 33 7.469 8.445 1.374
233 HD3 LYS 33 2HD LYS 33 6.735 9.585 0.249
234 HE2 LYS 33 1HE LYS 33 4.471 8.870 1.158
235 HE3 LYS 33 2HE LYS 33 5.340 7.990 2.416
236 HZ1 LYS 33 3HZ LYS 33 6.558 10.278 2.666
237 HZ2 LYS 33 1HZ LYS 33 5.076 9.990 3.441
238 HZ3 LYS 33 2HZ LYS 33 5.117 10.879 1.995
239 H TYR 34 H TYR 34 6.181 5.929 -2.904
240 HA TYR 34 HA TYR 34 9.022 5.671 -3.415
241 HB2 TYR 34 2HB TYR 34 8.886 4.097 -5.135
242 HB3 TYR 34 1HB TYR 34 7.870 3.424 -3.875
243 HD1 TYR 34 1HD TYR 34 8.025 3.854 -7.267
244 HD2 TYR 34 2HD TYR 34 5.299 4.600 -4.018
245 HE1 TYR 34 1HE TYR 34 6.123 3.825 -8.843
246 HE2 TYR 34 2HE TYR 34 3.408 4.555 -5.600
247 HH TYR 34 HH TYR 34 3.570 3.324 -8.653
248 H LYS 35 H LYS 35 9.103 5.964 -6.081
249 HA LYS 35 HA LYS 35 7.793 8.550 -6.470
250 HB2 LYS 35 1HB LYS 35 9.506 8.640 -8.428
251 HB3 LYS 35 2HB LYS 35 10.055 8.901 -6.774
252 HG2 LYS 35 1HG LYS 35 10.034 6.096 -7.810
253 HG3 LYS 35 2HG LYS 35 11.296 7.180 -8.392
254 HD2 LYS 35 1HD LYS 35 11.913 7.690 -6.042
255 HD3 LYS 35 2HD LYS 35 10.701 6.540 -5.482
256 HE2 LYS 35 1HE LYS 35 11.836 4.735 -6.720
257 HE3 LYS 35 2HE LYS 35 13.062 5.885 -7.261
258 HZ1 LYS 35 3HZ LYS 35 12.458 5.132 -4.457
259 HZ2 LYS 35 1HZ LYS 35 13.556 6.341 -4.913
260 HZ3 LYS 35 2HZ LYS 35 13.853 4.721 -5.336
261 HA PRO 36 HA PRO 36 5.345 6.130 -9.465
262 HB2 PRO 36 2HB PRO 36 3.424 7.981 -9.974
263 HB3 PRO 36 1HB PRO 36 3.438 7.004 -8.492
264 HG2 PRO 36 2HG PRO 36 4.293 9.823 -8.911
265 HG3 PRO 36 1HG PRO 36 3.430 9.095 -7.550
266 HD2 PRO 36 2HD PRO 36 6.125 9.648 -7.521
267 HD3 PRO 36 1HD PRO 36 5.373 8.391 -6.517
268 H TYR 37 H TYR 37 5.053 6.161 -11.732
269 HA TYR 37 HA TYR 37 5.857 8.489 -13.270
270 HB2 TYR 37 2HB TYR 37 7.641 7.308 -14.459
271 HB3 TYR 37 1HB TYR 37 8.009 7.401 -12.737
272 HD1 TYR 37 1HD TYR 37 7.268 5.194 -15.549
273 HD2 TYR 37 2HD TYR 37 7.622 5.420 -11.274
274 HE1 TYR 37 1HE TYR 37 7.419 2.720 -15.429
275 HE2 TYR 37 2HE TYR 37 7.770 2.952 -11.153
276 HH TYR 37 HH TYR 37 7.253 1.012 -12.415
277 H VAL 38 H VAL 38 5.509 8.159 -15.601
278 HA VAL 38 HA VAL 38 3.358 6.200 -16.046
279 HB VAL 38 HB VAL 38 2.716 7.664 -17.950
280 HG11 VAL 38 1HG1 VAL 38 2.651 9.746 -16.016
281 HG12 VAL 38 2HG1 VAL 38 2.546 8.221 -15.136
282 HG13 VAL 38 3HG1 VAL 38 1.375 8.593 -16.403
283 HG21 VAL 38 3HG2 VAL 38 4.978 9.374 -16.867
284 HG22 VAL 38 1HG2 VAL 38 3.783 9.929 -18.039
285 HG23 VAL 38 2HG2 VAL 38 4.899 8.630 -18.463
286 HA PRO 39 HA PRO 39 5.976 3.970 -18.850
287 HB2 PRO 39 2HB PRO 39 4.117 2.943 -20.586
288 HB3 PRO 39 1HB PRO 39 4.397 2.303 -18.954
289 HG2 PRO 39 2HG PRO 39 2.267 4.148 -19.922
290 HG3 PRO 39 1HG PRO 39 2.156 2.792 -18.787
291 HD2 PRO 39 2HD PRO 39 2.243 5.373 -17.937
292 HD3 PRO 39 1HD PRO 39 2.950 4.042 -16.997
293 H VAL 40 H VAL 40 3.774 6.379 -20.025
294 HA VAL 40 HA VAL 40 5.643 7.043 -22.183
295 HB VAL 40 HB VAL 40 3.920 5.524 -23.160
296 HG11 VAL 40 1HG1 VAL 40 1.677 5.891 -22.935
297 HG12 VAL 40 2HG1 VAL 40 1.857 7.645 -22.977
298 HG13 VAL 40 3HG1 VAL 40 2.178 6.761 -21.485
299 HG21 VAL 40 3HG2 VAL 40 4.694 8.157 -24.036
300 HG22 VAL 40 1HG2 VAL 40 3.054 7.818 -24.590
301 HG23 VAL 40 2HG2 VAL 40 4.372 6.723 -25.011
302 H THR 41 H THR 41 5.748 9.205 -22.618
303 HA THR 41 HA THR 41 4.651 11.014 -20.700
304 HB THR 41 HB THR 41 5.715 12.758 -22.084
305 HG1 THR 41 1HG THR 41 6.346 12.344 -24.067
306 HG21 THR 41 3HG2 THR 41 7.051 10.351 -21.074
307 HG22 THR 41 1HG2 THR 41 7.447 12.050 -20.812
308 HG23 THR 41 2HG2 THR 41 8.003 11.229 -22.271
309 H THR 42 H THR 42 3.667 9.900 -23.851
310 HA THR 42 HA THR 42 1.156 11.366 -23.578
311 HB THR 42 HB THR 42 2.970 11.679 -25.983
312 HG1 THR 42 1HG THR 42 1.972 13.445 -24.006
313 HG21 THR 42 3HG2 THR 42 0.932 13.343 -26.475
314 HG22 THR 42 1HG2 THR 42 0.055 12.129 -25.543
315 HG23 THR 42 2HG2 THR 42 0.912 11.664 -27.012
Start of MODEL 12
1 HA ASP 1 HA ASP 1 -12.019 1.324 5.061
2 HB2 ASP 1 1HB ASP 1 -10.269 1.162 6.762
3 HB3 ASP 1 2HB ASP 1 -11.525 -0.032 7.085
4 H CYS 2 H CYS 2 -8.911 1.053 5.538
5 HA CYS 2 HA CYS 2 -7.968 0.923 2.782
6 HB2 CYS 2 2HB CYS 2 -8.672 3.230 2.896
7 HB3 CYS 2 1HB CYS 2 -7.808 3.454 4.415
8 H ALA 3 H ALA 3 -5.687 0.889 2.589
9 HA ALA 3 HA ALA 3 -4.355 0.063 5.095
10 HB1 ALA 3 3HB ALA 3 -2.809 -0.589 2.786
11 HB2 ALA 3 1HB ALA 3 -4.474 -1.096 2.498
12 HB3 ALA 3 2HB ALA 3 -3.606 -1.684 3.917
13 H LYS 4 H LYS 4 -3.102 1.568 5.961
14 HA LYS 4 HA LYS 4 -2.096 3.819 4.450
15 HB2 LYS 4 1HB LYS 4 -2.779 3.525 7.039
16 HB3 LYS 4 2HB LYS 4 -1.049 3.212 7.173
17 HG2 LYS 4 1HG LYS 4 -1.074 5.517 7.406
18 HG3 LYS 4 2HG LYS 4 -0.869 5.382 5.659
19 HD2 LYS 4 1HD LYS 4 -3.385 5.502 5.445
20 HD3 LYS 4 2HD LYS 4 -3.448 5.878 7.168
21 HE2 LYS 4 1HE LYS 4 -1.897 7.466 5.102
22 HE3 LYS 4 2HE LYS 4 -3.462 7.933 5.769
23 HZ1 LYS 4 3HZ LYS 4 -0.861 8.201 6.903
24 HZ2 LYS 4 1HZ LYS 4 -1.907 7.374 7.950
25 HZ3 LYS 4 2HZ LYS 4 -2.324 8.919 7.381
26 H GLU 5 H GLU 5 0.435 4.155 5.659
27 HA GLU 5 HA GLU 5 2.095 2.701 3.899
28 HB2 GLU 5 1HB GLU 5 2.746 4.880 4.754
29 HB3 GLU 5 2HB GLU 5 2.797 4.247 6.400
30 HG2 GLU 5 1HG GLU 5 4.638 2.795 5.872
31 HG3 GLU 5 2HG GLU 5 4.494 3.132 4.150
32 H GLY 6 H GLY 6 3.121 0.827 4.054
33 HA2 GLY 6 1HA GLY 6 4.010 -1.108 4.925
34 HA3 GLY 6 2HA GLY 6 3.855 -0.412 6.526
35 H GLU 7 H GLU 7 0.987 -0.388 4.651
36 HA GLU 7 HA GLU 7 -0.091 -2.561 6.332
37 HB2 GLU 7 1HB GLU 7 -1.564 -0.435 4.764
38 HB3 GLU 7 2HB GLU 7 -2.289 -1.615 5.853
39 HG2 GLU 7 1HG GLU 7 -0.212 0.428 6.681
40 HG3 GLU 7 2HG GLU 7 -1.945 0.606 6.942
41 H VAL 8 H VAL 8 -1.397 -4.181 5.415
42 HA VAL 8 HA VAL 8 -0.439 -5.278 3.035
43 HB VAL 8 HB VAL 8 -3.004 -5.803 4.537
44 HG11 VAL 8 1HG1 VAL 8 -1.823 -7.027 2.065
45 HG12 VAL 8 2HG1 VAL 8 -3.512 -6.685 2.443
46 HG13 VAL 8 3HG1 VAL 8 -2.699 -8.055 3.200
47 HG21 VAL 8 3HG2 VAL 8 -1.824 -7.550 5.588
48 HG22 VAL 8 1HG2 VAL 8 -0.636 -6.247 5.528
49 HG23 VAL 8 2HG2 VAL 8 -0.562 -7.561 4.355
50 H CYS 9 H CYS 9 -1.015 -5.160 0.934
51 HA CYS 9 HA CYS 9 -3.462 -3.643 0.251
52 HB2 CYS 9 2HB CYS 9 -2.210 -2.467 -1.519
53 HB3 CYS 9 1HB CYS 9 -1.574 -2.094 0.086
54 H SER 10 H SER 10 -4.009 -3.908 -2.097
55 HA SER 10 HA SER 10 -4.604 -5.235 -3.860
56 HB2 SER 10 1HB SER 10 -1.892 -6.437 -3.316
57 HB3 SER 10 2HB SER 10 -2.928 -6.955 -4.637
58 HG SER 10 HG SER 10 -3.002 -4.512 -5.015
59 H TRP 11 H TRP 11 -3.760 -6.712 -0.839
60 HA TRP 11 HA TRP 11 -4.894 -9.282 -1.436
61 HB2 TRP 11 2HB TRP 11 -3.315 -8.164 0.614
62 HB3 TRP 11 1HB TRP 11 -4.794 -8.701 1.391
63 HD1 TRP 11 1HD TRP 11 -1.570 -10.005 0.823
64 HE1 TRP 11 1HE TRP 11 -1.563 -12.570 0.532
65 HE3 TRP 11 3HE TRP 11 -6.512 -10.786 -0.122
66 HZ2 TRP 11 2HZ TRP 11 -3.423 -14.677 -0.034
67 HZ3 TRP 11 3HZ TRP 11 -7.379 -13.073 -0.537
68 HH2 TRP 11 2HH TRP 11 -5.839 -15.019 -0.494
69 H GLY 12 H GLY 12 -6.618 -7.171 -2.140
70 HA2 GLY 12 1HA GLY 12 -8.985 -7.113 -2.096
71 HA3 GLY 12 2HA GLY 12 -8.956 -7.866 -0.505
72 H LYS 13 H LYS 13 -6.672 -5.421 -0.654
73 HA LYS 13 HA LYS 13 -8.562 -3.404 0.404
74 HB2 LYS 13 1HB LYS 13 -5.838 -4.126 1.509
75 HB3 LYS 13 2HB LYS 13 -6.810 -2.753 2.039
76 HG2 LYS 13 1HG LYS 13 -8.633 -4.298 2.684
77 HG3 LYS 13 2HG LYS 13 -7.642 -5.667 2.181
78 HD2 LYS 13 1HD LYS 13 -5.933 -5.054 3.849
79 HD3 LYS 13 2HD LYS 13 -6.912 -3.675 4.351
80 HE2 LYS 13 1HE LYS 13 -7.280 -5.538 5.892
81 HE3 LYS 13 2HE LYS 13 -8.749 -5.245 4.962
82 HZ1 LYS 13 3HZ LYS 13 -6.726 -7.214 4.087
83 HZ2 LYS 13 1HZ LYS 13 -8.351 -7.089 3.616
84 HZ3 LYS 13 2HZ LYS 13 -7.960 -7.633 5.178
85 H LYS 14 H LYS 14 -8.028 -1.237 0.001
86 HA LYS 14 HA LYS 14 -6.012 -0.852 -2.128
87 HB2 LYS 14 1HB LYS 14 -8.491 0.754 -1.455
88 HB3 LYS 14 2HB LYS 14 -7.331 1.162 -2.719
89 HG2 LYS 14 1HG LYS 14 -7.780 -0.982 -3.842
90 HG3 LYS 14 2HG LYS 14 -8.931 -1.412 -2.577
91 HD2 LYS 14 1HD LYS 14 -10.305 0.559 -3.162
92 HD3 LYS 14 2HD LYS 14 -9.157 0.976 -4.436
93 HE2 LYS 14 1HE LYS 14 -9.607 -1.180 -5.551
94 HE3 LYS 14 2HE LYS 14 -10.754 -1.599 -4.277
95 HZ1 LYS 14 3HZ LYS 14 -11.352 0.961 -5.296
96 HZ2 LYS 14 1HZ LYS 14 -12.316 -0.435 -5.300
97 HZ3 LYS 14 2HZ LYS 14 -11.245 -0.141 -6.585
98 H CYS 15 H CYS 15 -4.413 0.533 -1.855
99 HA CYS 15 HA CYS 15 -3.788 1.447 0.766
100 HB2 CYS 15 2HB CYS 15 -2.255 0.773 -1.255
101 HB3 CYS 15 1HB CYS 15 -2.428 2.467 -1.688
102 H CYS 16 H CYS 16 -3.869 3.495 1.624
103 HA CYS 16 HA CYS 16 -5.901 5.223 0.811
104 HB2 CYS 16 2HB CYS 16 -3.497 5.629 2.584
105 HB3 CYS 16 1HB CYS 16 -4.759 6.838 2.400
106 H ASP 17 H ASP 17 -2.417 5.404 0.220
107 HA ASP 17 HA ASP 17 -2.943 7.531 -1.777
108 HB2 ASP 17 1HB ASP 17 -0.663 7.231 0.172
109 HB3 ASP 17 2HB ASP 17 -0.541 8.245 -1.264
110 H LEU 18 H LEU 18 -3.196 5.764 -3.301
111 HA LEU 18 HA LEU 18 -1.079 3.937 -3.856
112 HB2 LEU 18 1HB LEU 18 -3.427 4.868 -5.531
113 HB3 LEU 18 2HB LEU 18 -2.362 3.533 -5.967
114 HG LEU 18 HG LEU 18 -3.739 3.552 -3.284
115 HD11 LEU 18 1HD1 LEU 18 -4.889 2.873 -5.987
116 HD12 LEU 18 2HD1 LEU 18 -5.629 3.786 -4.670
117 HD13 LEU 18 3HD1 LEU 18 -5.449 2.037 -4.538
118 HD21 LEU 18 3HD2 LEU 18 -3.480 1.148 -3.458
119 HD22 LEU 18 1HD2 LEU 18 -1.926 1.859 -3.869
120 HD23 LEU 18 2HD2 LEU 18 -2.986 1.272 -5.145
121 H ASP 19 H ASP 19 -1.523 7.241 -4.520
122 HA ASP 19 HA ASP 19 -0.062 7.377 -6.990
123 HB2 ASP 19 1HB ASP 19 -0.851 9.458 -4.943
124 HB3 ASP 19 2HB ASP 19 0.008 9.843 -6.433
125 H ASN 20 H ASN 20 0.739 7.748 -3.564
126 HA ASN 20 HA ASN 20 3.570 8.196 -4.283
127 HB2 ASN 20 1HB ASN 20 2.135 8.543 -1.645
128 HB3 ASN 20 2HB ASN 20 3.829 8.885 -1.925
129 HD21 ASN 20 1HD2 ASN 20 1.217 11.750 -2.613
130 HD22 ASN 20 2HD2 ASN 20 0.979 10.429 -1.581
131 H PHE 21 H PHE 21 1.405 5.878 -2.911
132 HA PHE 21 HA PHE 21 3.718 4.225 -2.104
133 HB2 PHE 21 2HB PHE 21 0.857 4.144 -1.128
134 HB3 PHE 21 1HB PHE 21 2.114 3.004 -0.660
135 HD1 PHE 21 1HD PHE 21 1.385 6.664 -0.764
136 HD2 PHE 21 2HD PHE 21 3.516 3.486 1.166
137 HE1 PHE 21 1HE PHE 21 2.116 8.238 1.002
138 HE2 PHE 21 2HE PHE 21 4.258 5.066 2.934
139 HZ PHE 21 HZ PHE 21 3.558 7.437 2.851
140 H TYR 22 H TYR 22 3.851 2.145 -2.834
141 HA TYR 22 HA TYR 22 1.925 1.404 -4.954
142 HB2 TYR 22 2HB TYR 22 3.702 0.383 -6.150
143 HB3 TYR 22 1HB TYR 22 4.309 1.949 -5.643
144 HD1 TYR 22 1HD TYR 22 4.496 -1.698 -5.049
145 HD2 TYR 22 2HD TYR 22 6.004 2.162 -3.983
146 HE1 TYR 22 1HE TYR 22 6.459 -2.738 -4.048
147 HE2 TYR 22 2HE TYR 22 7.959 1.130 -2.956
148 HH TYR 22 HH TYR 22 8.347 -2.428 -2.890
149 H CYS 23 H CYS 23 1.673 -0.922 -5.276
150 HA CYS 23 HA CYS 23 1.712 -2.315 -2.699
151 HB2 CYS 23 2HB CYS 23 -0.489 -1.912 -3.875
152 HB3 CYS 23 1HB CYS 23 0.074 -3.030 -5.118
153 HA PRO 24 HA PRO 24 5.143 -4.576 -4.731
154 HB2 PRO 24 2HB PRO 24 4.757 -6.257 -2.303
155 HB3 PRO 24 1HB PRO 24 6.245 -5.580 -2.975
156 HG2 PRO 24 2HG PRO 24 5.106 -4.547 -0.825
157 HG3 PRO 24 1HG PRO 24 5.917 -3.538 -2.010
158 HD2 PRO 24 2HD PRO 24 3.013 -3.870 -1.483
159 HD3 PRO 24 1HD PRO 24 3.904 -2.471 -2.102
160 H MET 25 H MET 25 5.479 -6.794 -5.460
161 HA MET 25 HA MET 25 2.926 -8.219 -5.904
162 HB2 MET 25 1HB MET 25 5.489 -8.186 -7.511
163 HB3 MET 25 2HB MET 25 4.110 -9.227 -7.862
164 HG2 MET 25 1HG MET 25 2.669 -7.252 -8.129
165 HG3 MET 25 2HG MET 25 4.031 -6.199 -7.748
166 HE1 MET 25 3HE MET 25 3.891 -4.966 -10.780
167 HE2 MET 25 1HE MET 25 2.592 -5.465 -9.688
168 HE3 MET 25 2HE MET 25 2.651 -6.087 -11.335
169 H GLU 26 H GLU 26 3.647 -8.917 -3.535
170 HA GLU 26 HA GLU 26 5.102 -11.470 -3.816
171 HB2 GLU 26 1HB GLU 26 5.206 -9.496 -1.525
172 HB3 GLU 26 2HB GLU 26 5.865 -11.132 -1.456
173 HG2 GLU 26 1HG GLU 26 7.346 -10.634 -3.351
174 HG3 GLU 26 2HG GLU 26 6.676 -9.006 -3.460
175 H PHE 27 H PHE 27 4.643 -12.570 -1.425
176 HA PHE 27 HA PHE 27 2.010 -13.545 -1.608
177 HB2 PHE 27 2HB PHE 27 3.860 -14.800 -0.555
178 HB3 PHE 27 1HB PHE 27 3.874 -13.642 0.776
179 HD1 PHE 27 1HD PHE 27 1.547 -15.903 -1.089
180 HD2 PHE 27 2HD PHE 27 2.517 -14.035 2.654
181 HE1 PHE 27 1HE PHE 27 -0.275 -17.171 0.015
182 HE2 PHE 27 2HE PHE 27 0.693 -15.301 3.758
183 HZ PHE 27 HZ PHE 27 -0.703 -16.869 2.438
184 H ILE 28 H ILE 28 3.472 -11.214 0.649
185 HA ILE 28 HA ILE 28 0.764 -10.201 1.249
186 HB ILE 28 HB ILE 28 1.733 -9.706 3.579
187 HG12 ILE 28 1HG1 ILE 28 3.592 -11.964 2.773
188 HG13 ILE 28 2HG1 ILE 28 4.095 -10.278 2.840
189 HG21 ILE 28 1HG2 ILE 28 0.081 -11.299 3.699
190 HG22 ILE 28 2HG2 ILE 28 1.451 -12.343 4.078
191 HG23 ILE 28 3HG2 ILE 28 0.807 -12.296 2.438
192 HD11 ILE 28 3HD1 ILE 28 3.915 -12.163 4.989
193 HD12 ILE 28 1HD1 ILE 28 2.757 -10.870 5.292
194 HD13 ILE 28 2HD1 ILE 28 4.460 -10.486 5.050
195 HA PRO 29 HA PRO 29 3.574 -6.837 -0.396
196 HB2 PRO 29 2HB PRO 29 0.880 -5.948 -1.282
197 HB3 PRO 29 1HB PRO 29 2.404 -5.973 -2.179
198 HG2 PRO 29 2HG PRO 29 0.508 -7.732 -2.678
199 HG3 PRO 29 1HG PRO 29 2.210 -8.236 -2.661
200 HD2 PRO 29 2HD PRO 29 0.092 -8.650 -0.567
201 HD3 PRO 29 1HD PRO 29 1.377 -9.754 -1.100
202 H HIS 30 H HIS 30 3.865 -4.812 0.490
203 HA HIS 30 HA HIS 30 1.719 -3.802 2.246
204 HB2 HIS 30 1HB HIS 30 4.660 -3.883 2.947
205 HB3 HIS 30 2HB HIS 30 3.412 -3.054 3.872
206 HD1 HIS 30 HD1 HIS 30 4.705 -6.474 3.073
207 HD2 HIS 30 HD2 HIS 30 1.588 -4.757 5.248
208 HE1 HIS 30 HE1 HIS 30 3.728 -8.323 4.505
209 H CYS 31 H CYS 31 1.330 -1.672 2.152
210 HA CYS 31 HA CYS 31 2.033 -0.175 -0.073
211 HB2 CYS 31 2HB CYS 31 1.140 0.648 2.680
212 HB3 CYS 31 1HB CYS 31 1.387 1.824 1.400
213 H LYS 32 H LYS 32 3.826 0.869 -0.688
214 HA LYS 32 HA LYS 32 5.741 1.729 1.390
215 HB2 LYS 32 1HB LYS 32 6.544 -0.411 0.586
216 HB3 LYS 32 2HB LYS 32 6.391 0.114 -1.071
217 HG2 LYS 32 1HG LYS 32 8.736 0.251 -0.314
218 HG3 LYS 32 2HG LYS 32 8.113 1.848 -0.698
219 HD2 LYS 32 1HD LYS 32 7.935 2.469 1.563
220 HD3 LYS 32 2HD LYS 32 7.941 0.795 2.121
221 HE2 LYS 32 1HE LYS 32 10.297 2.194 0.822
222 HE3 LYS 32 2HE LYS 32 10.103 1.962 2.560
223 HZ1 LYS 32 3HZ LYS 32 10.672 -0.012 0.470
224 HZ2 LYS 32 1HZ LYS 32 9.769 -0.511 1.817
225 HZ3 LYS 32 2HZ LYS 32 11.325 0.132 2.031
226 H LYS 33 H LYS 33 6.448 3.747 1.090
227 HA LYS 33 HA LYS 33 5.517 5.310 -1.093
228 HB2 LYS 33 1HB LYS 33 5.890 6.271 1.135
229 HB3 LYS 33 2HB LYS 33 7.619 5.973 0.969
230 HG2 LYS 33 1HG LYS 33 7.752 7.479 -0.935
231 HG3 LYS 33 2HG LYS 33 6.000 7.684 -0.937
232 HD2 LYS 33 1HD LYS 33 7.398 8.283 1.618
233 HD3 LYS 33 2HD LYS 33 7.670 9.414 0.292
234 HE2 LYS 33 1HE LYS 33 5.238 9.683 0.009
235 HE3 LYS 33 2HE LYS 33 4.953 8.541 1.321
236 HZ1 LYS 33 3HZ LYS 33 6.760 10.669 2.009
237 HZ2 LYS 33 1HZ LYS 33 5.413 10.078 2.851
238 HZ3 LYS 33 2HZ LYS 33 5.202 11.216 1.608
239 H TYR 34 H TYR 34 6.443 5.841 -2.977
240 HA TYR 34 HA TYR 34 9.302 5.425 -3.390
241 HB2 TYR 34 2HB TYR 34 9.056 4.005 -5.246
242 HB3 TYR 34 1HB TYR 34 8.009 3.327 -4.018
243 HD1 TYR 34 1HD TYR 34 8.189 4.172 -7.387
244 HD2 TYR 34 2HD TYR 34 5.504 4.482 -4.031
245 HE1 TYR 34 1HE TYR 34 6.272 4.387 -8.932
246 HE2 TYR 34 2HE TYR 34 3.595 4.663 -5.590
247 HH TYR 34 HH TYR 34 3.771 3.904 -8.830
248 H LYS 35 H LYS 35 9.495 5.874 -6.021
249 HA LYS 35 HA LYS 35 8.624 8.647 -6.222
250 HB2 LYS 35 1HB LYS 35 10.607 7.030 -7.819
251 HB3 LYS 35 2HB LYS 35 10.258 8.734 -8.099
252 HG2 LYS 35 1HG LYS 35 12.247 8.548 -6.698
253 HG3 LYS 35 2HG LYS 35 10.925 9.222 -5.749
254 HD2 LYS 35 1HD LYS 35 10.714 7.337 -4.439
255 HD3 LYS 35 2HD LYS 35 11.258 6.240 -5.711
256 HE2 LYS 35 1HE LYS 35 13.564 7.064 -5.432
257 HE3 LYS 35 2HE LYS 35 13.020 8.194 -4.192
258 HZ1 LYS 35 3HZ LYS 35 12.129 6.147 -3.015
259 HZ2 LYS 35 1HZ LYS 35 13.812 6.353 -3.026
260 HZ3 LYS 35 2HZ LYS 35 13.088 5.240 -4.084
261 HA PRO 36 HA PRO 36 5.543 6.990 -9.151
262 HB2 PRO 36 2HB PRO 36 4.046 9.233 -9.446
263 HB3 PRO 36 1HB PRO 36 3.939 8.200 -8.007
264 HG2 PRO 36 2HG PRO 36 5.370 10.783 -8.381
265 HG3 PRO 36 1HG PRO 36 4.446 10.192 -6.990
266 HD2 PRO 36 2HD PRO 36 7.189 10.144 -7.135
267 HD3 PRO 36 1HD PRO 36 6.235 9.030 -6.125
268 H TYR 37 H TYR 37 5.040 7.280 -11.377
269 HA TYR 37 HA TYR 37 6.400 9.410 -12.835
270 HB2 TYR 37 2HB TYR 37 7.506 7.772 -14.337
271 HB3 TYR 37 1HB TYR 37 8.110 7.684 -12.685
272 HD1 TYR 37 1HD TYR 37 6.055 6.003 -15.251
273 HD2 TYR 37 2HD TYR 37 7.590 5.799 -11.245
274 HE1 TYR 37 1HE TYR 37 5.421 3.607 -15.129
275 HE2 TYR 37 2HE TYR 37 6.955 3.407 -11.120
276 HH TYR 37 HH TYR 37 6.487 1.507 -13.476
277 H VAL 38 H VAL 38 5.541 9.802 -14.869
278 HA VAL 38 HA VAL 38 2.963 8.493 -15.396
279 HB VAL 38 HB VAL 38 3.717 10.834 -17.025
280 HG11 VAL 38 1HG1 VAL 38 1.301 10.468 -15.261
281 HG12 VAL 38 2HG1 VAL 38 1.446 9.600 -16.789
282 HG13 VAL 38 3HG1 VAL 38 1.436 11.363 -16.773
283 HG21 VAL 38 3HG2 VAL 38 4.738 11.601 -14.995
284 HG22 VAL 38 1HG2 VAL 38 3.413 10.979 -14.016
285 HG23 VAL 38 2HG2 VAL 38 3.153 12.367 -15.073
286 HA PRO 39 HA PRO 39 5.230 8.070 -19.539
287 HB2 PRO 39 2HB PRO 39 7.859 8.632 -19.755
288 HB3 PRO 39 1HB PRO 39 6.616 9.895 -19.840
289 HG2 PRO 39 2HG PRO 39 8.433 9.174 -17.607
290 HG3 PRO 39 1HG PRO 39 7.833 10.760 -18.115
291 HD2 PRO 39 2HD PRO 39 6.825 9.240 -16.002
292 HD3 PRO 39 1HD PRO 39 5.997 10.608 -16.769
293 H VAL 40 H VAL 40 6.436 6.322 -20.518
294 HA VAL 40 HA VAL 40 6.676 4.036 -18.894
295 HB VAL 40 HB VAL 40 7.708 4.633 -21.675
296 HG11 VAL 40 1HG1 VAL 40 9.077 2.848 -21.112
297 HG12 VAL 40 2HG1 VAL 40 7.643 1.979 -21.658
298 HG13 VAL 40 3HG1 VAL 40 7.931 2.205 -19.934
299 HG21 VAL 40 3HG2 VAL 40 5.265 4.620 -21.439
300 HG22 VAL 40 1HG2 VAL 40 5.336 3.064 -20.612
301 HG23 VAL 40 2HG2 VAL 40 5.789 3.179 -22.312
302 H THR 41 H THR 41 9.135 6.204 -20.260
303 HA THR 41 HA THR 41 11.336 6.553 -19.710
304 HB THR 41 HB THR 41 10.819 5.156 -17.094
305 HG1 THR 41 1HG THR 41 9.075 6.542 -17.463
306 HG21 THR 41 3HG2 THR 41 12.372 6.853 -16.267
307 HG22 THR 41 1HG2 THR 41 12.421 7.611 -17.858
308 HG23 THR 41 2HG2 THR 41 13.093 5.997 -17.630
309 H THR 42 H THR 42 11.280 4.618 -21.399
310 HA THR 42 HA THR 42 11.880 2.009 -20.778
311 HB THR 42 HB THR 42 13.089 3.711 -22.970
312 HG1 THR 42 1HG THR 42 11.401 2.342 -24.090
313 HG21 THR 42 3HG2 THR 42 13.105 0.746 -22.426
314 HG22 THR 42 1HG2 THR 42 14.461 1.792 -22.841
315 HG23 THR 42 2HG2 THR 42 13.261 1.377 -24.065
Start of MODEL 13
1 HA ASP 1 HA ASP 1 -10.658 0.958 6.848
2 HB2 ASP 1 1HB ASP 1 -11.933 -1.198 6.845
3 HB3 ASP 1 2HB ASP 1 -11.517 -1.401 5.146
4 H CYS 2 H CYS 2 -8.592 1.091 6.023
5 HA CYS 2 HA CYS 2 -8.162 0.978 3.139
6 HB2 CYS 2 2HB CYS 2 -8.762 3.271 3.301
7 HB3 CYS 2 1HB CYS 2 -7.796 3.488 4.764
8 H ALA 3 H ALA 3 -5.953 0.900 2.538
9 HA ALA 3 HA ALA 3 -4.284 -0.240 4.631
10 HB1 ALA 3 3HB ALA 3 -3.647 -1.528 2.927
11 HB2 ALA 3 1HB ALA 3 -2.845 -0.133 2.220
12 HB3 ALA 3 2HB ALA 3 -4.509 -0.516 1.777
13 H LYS 4 H LYS 4 -2.985 0.998 5.795
14 HA LYS 4 HA LYS 4 -2.186 3.646 4.840
15 HB2 LYS 4 1HB LYS 4 -1.675 2.260 7.490
16 HB3 LYS 4 2HB LYS 4 -1.327 3.948 7.119
17 HG2 LYS 4 1HG LYS 4 -3.724 4.346 6.676
18 HG3 LYS 4 2HG LYS 4 -4.073 2.658 7.048
19 HD2 LYS 4 1HD LYS 4 -4.515 3.647 9.105
20 HD3 LYS 4 2HD LYS 4 -2.815 3.223 9.300
21 HE2 LYS 4 1HE LYS 4 -3.123 5.520 10.028
22 HE3 LYS 4 2HE LYS 4 -2.208 5.534 8.525
23 HZ1 LYS 4 3HZ LYS 4 -4.055 7.157 8.595
24 HZ2 LYS 4 1HZ LYS 4 -5.150 5.865 8.682
25 HZ3 LYS 4 2HZ LYS 4 -4.170 6.057 7.307
26 H GLU 5 H GLU 5 0.217 4.166 5.706
27 HA GLU 5 HA GLU 5 2.001 2.948 3.960
28 HB2 GLU 5 1HB GLU 5 2.547 5.071 4.903
29 HB3 GLU 5 2HB GLU 5 2.492 4.429 6.546
30 HG2 GLU 5 1HG GLU 5 4.466 3.131 6.212
31 HG3 GLU 5 2HG GLU 5 4.429 3.383 4.470
32 H GLY 6 H GLY 6 3.044 1.091 3.920
33 HA2 GLY 6 1HA GLY 6 4.044 -0.868 4.580
34 HA3 GLY 6 2HA GLY 6 4.055 -0.254 6.224
35 H GLU 7 H GLU 7 0.999 -0.203 4.701
36 HA GLU 7 HA GLU 7 0.152 -2.460 6.385
37 HB2 GLU 7 1HB GLU 7 -0.993 -0.196 6.560
38 HB3 GLU 7 2HB GLU 7 -1.636 -0.497 4.943
39 HG2 GLU 7 1HG GLU 7 -2.811 -2.455 5.677
40 HG3 GLU 7 2HG GLU 7 -2.003 -2.426 7.244
41 H VAL 8 H VAL 8 -0.864 -4.247 5.556
42 HA VAL 8 HA VAL 8 -0.130 -5.139 3.047
43 HB VAL 8 HB VAL 8 -2.442 -5.985 4.800
44 HG11 VAL 8 1HG1 VAL 8 -3.157 -7.023 2.897
45 HG12 VAL 8 2HG1 VAL 8 -1.861 -8.160 3.270
46 HG13 VAL 8 3HG1 VAL 8 -1.591 -6.865 2.102
47 HG21 VAL 8 3HG2 VAL 8 0.048 -6.205 5.515
48 HG22 VAL 8 1HG2 VAL 8 0.141 -7.455 4.274
49 HG23 VAL 8 2HG2 VAL 8 -0.973 -7.639 5.630
50 H CYS 9 H CYS 9 -0.947 -4.971 1.002
51 HA CYS 9 HA CYS 9 -3.622 -3.753 0.685
52 HB2 CYS 9 2HB CYS 9 -2.781 -2.240 -1.030
53 HB3 CYS 9 1HB CYS 9 -1.888 -1.973 0.467
54 H SER 10 H SER 10 -4.305 -3.878 -1.669
55 HA SER 10 HA SER 10 -4.574 -5.030 -3.665
56 HB2 SER 10 1HB SER 10 -2.523 -7.074 -2.947
57 HB3 SER 10 2HB SER 10 -2.934 -6.382 -4.508
58 HG SER 10 HG SER 10 -2.113 -4.407 -2.958
59 H TRP 11 H TRP 11 -4.283 -6.602 -0.585
60 HA TRP 11 HA TRP 11 -5.616 -9.027 -1.306
61 HB2 TRP 11 2HB TRP 11 -4.396 -7.904 1.027
62 HB3 TRP 11 1HB TRP 11 -5.994 -8.480 1.468
63 HD1 TRP 11 1HD TRP 11 -2.682 -9.720 1.492
64 HE1 TRP 11 1HE TRP 11 -2.571 -12.278 1.173
65 HE3 TRP 11 3HE TRP 11 -7.359 -10.570 -0.337
66 HZ2 TRP 11 2HZ TRP 11 -4.254 -14.407 0.256
67 HZ3 TRP 11 3HZ TRP 11 -8.086 -12.871 -0.928
68 HH2 TRP 11 2HH TRP 11 -6.539 -14.789 -0.633
69 H GLY 12 H GLY 12 -6.986 -6.783 -2.345
70 HA2 GLY 12 1HA GLY 12 -9.311 -6.512 -2.701
71 HA3 GLY 12 2HA GLY 12 -9.616 -7.222 -1.121
72 H LYS 13 H LYS 13 -7.158 -5.127 -0.632
73 HA LYS 13 HA LYS 13 -8.984 -2.906 0.078
74 HB2 LYS 13 1HB LYS 13 -6.446 -3.850 1.431
75 HB3 LYS 13 2HB LYS 13 -7.322 -2.387 1.871
76 HG2 LYS 13 1HG LYS 13 -9.339 -3.741 2.347
77 HG3 LYS 13 2HG LYS 13 -8.452 -5.203 1.919
78 HD2 LYS 13 1HD LYS 13 -6.825 -4.732 3.731
79 HD3 LYS 13 2HD LYS 13 -7.750 -3.298 4.175
80 HE2 LYS 13 1HE LYS 13 -8.851 -6.125 4.158
81 HE3 LYS 13 2HE LYS 13 -8.310 -5.265 5.599
82 HZ1 LYS 13 3HZ LYS 13 -10.433 -4.601 5.690
83 HZ2 LYS 13 1HZ LYS 13 -10.733 -4.944 4.057
84 HZ3 LYS 13 2HZ LYS 13 -9.979 -3.485 4.491
85 H LYS 14 H LYS 14 -8.269 -0.779 -0.249
86 HA LYS 14 HA LYS 14 -6.058 -0.531 -2.201
87 HB2 LYS 14 1HB LYS 14 -8.449 1.256 -1.685
88 HB3 LYS 14 2HB LYS 14 -7.171 1.589 -2.854
89 HG2 LYS 14 1HG LYS 14 -7.697 -0.511 -4.037
90 HG3 LYS 14 2HG LYS 14 -8.976 -0.848 -2.872
91 HD2 LYS 14 1HD LYS 14 -10.133 1.231 -3.534
92 HD3 LYS 14 2HD LYS 14 -8.858 1.565 -4.706
93 HE2 LYS 14 1HE LYS 14 -9.390 -0.533 -5.891
94 HE3 LYS 14 2HE LYS 14 -10.663 -0.873 -4.718
95 HZ1 LYS 14 3HZ LYS 14 -10.863 1.749 -5.856
96 HZ2 LYS 14 1HZ LYS 14 -12.043 0.540 -5.711
97 HZ3 LYS 14 2HZ LYS 14 -10.969 0.521 -7.027
98 H CYS 15 H CYS 15 -4.354 0.701 -1.765
99 HA CYS 15 HA CYS 15 -3.819 1.518 0.890
100 HB2 CYS 15 2HB CYS 15 -2.176 0.886 -0.999
101 HB3 CYS 15 1HB CYS 15 -2.379 2.551 -1.535
102 H CYS 16 H CYS 16 -4.043 3.439 1.890
103 HA CYS 16 HA CYS 16 -5.919 5.305 1.130
104 HB2 CYS 16 2HB CYS 16 -3.468 5.604 2.876
105 HB3 CYS 16 1HB CYS 16 -4.744 6.808 2.781
106 H ASP 17 H ASP 17 -2.881 4.803 -0.258
107 HA ASP 17 HA ASP 17 -3.245 7.041 -2.035
108 HB2 ASP 17 1HB ASP 17 -1.130 7.074 0.084
109 HB3 ASP 17 2HB ASP 17 -0.761 7.759 -1.496
110 H LEU 18 H LEU 18 -3.337 5.356 -3.564
111 HA LEU 18 HA LEU 18 -1.253 3.446 -3.910
112 HB2 LEU 18 1HB LEU 18 -3.454 4.450 -5.709
113 HB3 LEU 18 2HB LEU 18 -2.325 3.201 -6.215
114 HG LEU 18 HG LEU 18 -3.932 3.010 -3.650
115 HD11 LEU 18 1HD1 LEU 18 -5.545 3.146 -5.443
116 HD12 LEU 18 2HD1 LEU 18 -5.406 1.452 -4.975
117 HD13 LEU 18 3HD1 LEU 18 -4.604 2.031 -6.435
118 HD21 LEU 18 3HD2 LEU 18 -2.183 1.154 -5.256
119 HD22 LEU 18 1HD2 LEU 18 -3.518 0.485 -4.327
120 HD23 LEU 18 2HD2 LEU 18 -2.247 1.389 -3.515
121 H ASP 19 H ASP 19 -1.582 6.761 -4.777
122 HA ASP 19 HA ASP 19 0.257 6.737 -6.982
123 HB2 ASP 19 1HB ASP 19 -1.484 8.487 -6.652
124 HB3 ASP 19 2HB ASP 19 -0.596 9.054 -5.237
125 H ASN 20 H ASN 20 0.507 7.771 -3.569
126 HA ASN 20 HA ASN 20 3.361 8.225 -3.823
127 HB2 ASN 20 1HB ASN 20 1.525 8.259 -1.423
128 HB3 ASN 20 2HB ASN 20 3.224 8.686 -1.373
129 HD21 ASN 20 1HD2 ASN 20 0.522 11.397 -2.493
130 HD22 ASN 20 2HD2 ASN 20 0.118 9.919 -1.777
131 H PHE 21 H PHE 21 1.272 5.634 -2.861
132 HA PHE 21 HA PHE 21 3.628 4.083 -1.999
133 HB2 PHE 21 2HB PHE 21 0.756 3.758 -1.113
134 HB3 PHE 21 1HB PHE 21 2.114 2.768 -0.591
135 HD1 PHE 21 1HD PHE 21 0.895 6.274 -0.692
136 HD2 PHE 21 2HD PHE 21 3.470 3.464 1.258
137 HE1 PHE 21 1HE PHE 21 1.331 7.927 1.088
138 HE2 PHE 21 2HE PHE 21 3.917 5.118 3.030
139 HZ PHE 21 HZ PHE 21 2.844 7.347 2.957
140 H TYR 22 H TYR 22 3.618 1.823 -2.546
141 HA TYR 22 HA TYR 22 1.818 1.110 -4.778
142 HB2 TYR 22 2HB TYR 22 3.647 0.218 -6.035
143 HB3 TYR 22 1HB TYR 22 4.127 1.829 -5.542
144 HD1 TYR 22 1HD TYR 22 4.507 -1.787 -4.664
145 HD2 TYR 22 2HD TYR 22 5.982 2.199 -4.192
146 HE1 TYR 22 1HE TYR 22 6.550 -2.650 -3.703
147 HE2 TYR 22 2HE TYR 22 8.019 1.324 -3.182
148 HH TYR 22 HH TYR 22 9.296 -0.586 -2.961
149 H CYS 23 H CYS 23 1.718 -1.231 -5.169
150 HA CYS 23 HA CYS 23 1.894 -2.688 -2.639
151 HB2 CYS 23 2HB CYS 23 0.231 -3.112 -5.110
152 HB3 CYS 23 1HB CYS 23 0.365 -4.309 -3.825
153 HA PRO 24 HA PRO 24 5.600 -4.627 -4.554
154 HB2 PRO 24 2HB PRO 24 5.135 -6.413 -2.207
155 HB3 PRO 24 1HB PRO 24 6.630 -5.647 -2.758
156 HG2 PRO 24 2HG PRO 24 5.285 -4.738 -0.665
157 HG3 PRO 24 1HG PRO 24 6.152 -3.669 -1.749
158 HD2 PRO 24 2HD PRO 24 3.243 -4.088 -1.455
159 HD3 PRO 24 1HD PRO 24 4.122 -2.662 -2.021
160 H MET 25 H MET 25 6.054 -6.671 -5.502
161 HA MET 25 HA MET 25 3.667 -8.116 -6.342
162 HB2 MET 25 1HB MET 25 5.211 -9.246 -7.915
163 HB3 MET 25 2HB MET 25 5.283 -7.490 -8.047
164 HG2 MET 25 1HG MET 25 7.296 -7.446 -6.636
165 HG3 MET 25 2HG MET 25 7.221 -9.196 -6.454
166 HE1 MET 25 3HE MET 25 8.038 -10.844 -7.906
167 HE2 MET 25 1HE MET 25 8.370 -10.712 -9.637
168 HE3 MET 25 2HE MET 25 6.715 -10.601 -9.045
169 H GLU 26 H GLU 26 4.226 -8.523 -3.633
170 HA GLU 26 HA GLU 26 5.263 -11.278 -3.561
171 HB2 GLU 26 1HB GLU 26 5.056 -9.180 -1.389
172 HB3 GLU 26 2HB GLU 26 5.529 -10.857 -1.111
173 HG2 GLU 26 1HG GLU 26 7.426 -10.604 -2.642
174 HG3 GLU 26 2HG GLU 26 6.943 -8.946 -2.992
175 H PHE 27 H PHE 27 4.208 -12.486 -1.654
176 HA PHE 27 HA PHE 27 1.436 -12.785 -2.257
177 HB2 PHE 27 2HB PHE 27 1.688 -14.272 -0.035
178 HB3 PHE 27 1HB PHE 27 2.262 -14.815 -1.611
179 HD1 PHE 27 1HD PHE 27 3.226 -13.796 1.745
180 HD2 PHE 27 2HD PHE 27 4.676 -14.489 -2.237
181 HE1 PHE 27 1HE PHE 27 5.553 -13.881 2.604
182 HE2 PHE 27 2HE PHE 27 6.999 -14.578 -1.380
183 HZ PHE 27 HZ PHE 27 7.439 -14.275 1.040
184 H ILE 28 H ILE 28 3.117 -10.709 -0.174
185 HA ILE 28 HA ILE 28 0.589 -9.878 1.060
186 HB ILE 28 HB ILE 28 1.894 -9.520 3.212
187 HG12 ILE 28 1HG1 ILE 28 3.756 -11.539 1.940
188 HG13 ILE 28 2HG1 ILE 28 4.145 -9.837 2.110
189 HG21 ILE 28 1HG2 ILE 28 1.632 -11.910 3.883
190 HG22 ILE 28 2HG2 ILE 28 1.418 -12.331 2.182
191 HG23 ILE 28 3HG2 ILE 28 0.239 -11.297 2.991
192 HD11 ILE 28 3HD1 ILE 28 4.476 -11.891 4.040
193 HD12 ILE 28 1HD1 ILE 28 3.206 -10.824 4.637
194 HD13 ILE 28 2HD1 ILE 28 4.793 -10.167 4.237
195 HA PRO 29 HA PRO 29 3.198 -6.470 -0.852
196 HB2 PRO 29 2HB PRO 29 0.473 -5.579 -1.628
197 HB3 PRO 29 1HB PRO 29 1.944 -5.678 -2.608
198 HG2 PRO 29 2HG PRO 29 -0.045 -7.410 -2.916
199 HG3 PRO 29 1HG PRO 29 1.649 -7.928 -3.048
200 HD2 PRO 29 2HD PRO 29 -0.275 -8.306 -0.770
201 HD3 PRO 29 1HD PRO 29 0.951 -9.427 -1.399
202 H HIS 30 H HIS 30 3.619 -4.604 0.237
203 HA HIS 30 HA HIS 30 1.518 -3.593 2.077
204 HB2 HIS 30 1HB HIS 30 4.501 -3.696 2.548
205 HB3 HIS 30 2HB HIS 30 3.349 -2.873 3.587
206 HD1 HIS 30 HD1 HIS 30 4.450 -6.300 2.522
207 HD2 HIS 30 HD2 HIS 30 1.744 -4.583 5.181
208 HE1 HIS 30 HE1 HIS 30 3.624 -8.169 4.014
209 H CYS 31 H CYS 31 1.476 -1.334 2.394
210 HA CYS 31 HA CYS 31 1.995 0.196 0.051
211 HB2 CYS 31 2HB CYS 31 1.293 0.990 2.873
212 HB3 CYS 31 1HB CYS 31 1.416 2.147 1.560
213 H LYS 32 H LYS 32 3.967 0.747 -0.634
214 HA LYS 32 HA LYS 32 5.951 1.688 1.379
215 HB2 LYS 32 1HB LYS 32 6.436 0.218 -1.196
216 HB3 LYS 32 2HB LYS 32 7.705 0.856 -0.166
217 HG2 LYS 32 1HG LYS 32 5.676 -1.261 0.564
218 HG3 LYS 32 2HG LYS 32 7.373 -1.543 0.204
219 HD2 LYS 32 1HD LYS 32 7.734 0.283 2.110
220 HD3 LYS 32 2HD LYS 32 6.146 -0.279 2.629
221 HE2 LYS 32 1HE LYS 32 8.572 -2.039 2.164
222 HE3 LYS 32 2HE LYS 32 7.948 -1.551 3.739
223 HZ1 LYS 32 3HZ LYS 32 5.907 -2.660 2.103
224 HZ2 LYS 32 1HZ LYS 32 6.406 -3.121 3.656
225 HZ3 LYS 32 2HZ LYS 32 7.197 -3.748 2.289
226 H LYS 33 H LYS 33 6.880 3.637 1.027
227 HA LYS 33 HA LYS 33 5.809 5.379 -0.948
228 HB2 LYS 33 1HB LYS 33 8.151 5.641 0.938
229 HB3 LYS 33 2HB LYS 33 7.626 6.937 -0.139
230 HG2 LYS 33 1HG LYS 33 5.386 6.891 0.870
231 HG3 LYS 33 2HG LYS 33 5.886 5.565 1.920
232 HD2 LYS 33 1HD LYS 33 7.582 6.988 2.964
233 HD3 LYS 33 2HD LYS 33 7.153 8.317 1.885
234 HE2 LYS 33 1HE LYS 33 4.894 8.376 2.805
235 HE3 LYS 33 2HE LYS 33 5.254 7.001 3.848
236 HZ1 LYS 33 3HZ LYS 33 6.630 9.636 3.918
237 HZ2 LYS 33 1HZ LYS 33 6.962 8.323 4.936
238 HZ3 LYS 33 2HZ LYS 33 5.459 9.111 5.029
239 H TYR 34 H TYR 34 6.564 6.066 -2.848
240 HA TYR 34 HA TYR 34 9.246 5.569 -3.749
241 HB2 TYR 34 2HB TYR 34 8.795 4.065 -5.464
242 HB3 TYR 34 1HB TYR 34 7.933 3.424 -4.090
243 HD1 TYR 34 1HD TYR 34 7.641 3.837 -7.454
244 HD2 TYR 34 2HD TYR 34 5.424 4.772 -3.880
245 HE1 TYR 34 1HE TYR 34 5.551 3.930 -8.761
246 HE2 TYR 34 2HE TYR 34 3.345 4.857 -5.202
247 HH TYR 34 HH TYR 34 3.143 3.719 -8.419
248 H LYS 35 H LYS 35 9.382 6.177 -6.168
249 HA LYS 35 HA LYS 35 7.797 8.635 -6.548
250 HB2 LYS 35 1HB LYS 35 9.799 9.186 -8.116
251 HB3 LYS 35 2HB LYS 35 9.983 9.365 -6.377
252 HG2 LYS 35 1HG LYS 35 10.668 6.731 -7.641
253 HG3 LYS 35 2HG LYS 35 11.806 8.066 -7.794
254 HD2 LYS 35 1HD LYS 35 11.738 8.323 -5.284
255 HD3 LYS 35 2HD LYS 35 10.776 6.845 -5.206
256 HE2 LYS 35 1HE LYS 35 12.569 5.601 -6.329
257 HE3 LYS 35 2HE LYS 35 13.535 7.073 -6.432
258 HZ1 LYS 35 3HZ LYS 35 12.666 5.650 -3.983
259 HZ2 LYS 35 1HZ LYS 35 13.338 7.207 -3.961
260 HZ3 LYS 35 2HZ LYS 35 14.256 5.896 -4.531
261 HA PRO 36 HA PRO 36 6.542 6.006 -10.099
262 HB2 PRO 36 2HB PRO 36 4.086 7.092 -10.505
263 HB3 PRO 36 1HB PRO 36 4.396 5.896 -9.235
264 HG2 PRO 36 2HG PRO 36 4.104 8.843 -9.030
265 HG3 PRO 36 1HG PRO 36 3.557 7.571 -7.926
266 HD2 PRO 36 2HD PRO 36 5.824 9.104 -7.540
267 HD3 PRO 36 1HD PRO 36 5.564 7.503 -6.810
268 H TYR 37 H TYR 37 6.387 6.407 -12.331
269 HA TYR 37 HA TYR 37 6.484 9.193 -13.248
270 HB2 TYR 37 2HB TYR 37 8.445 8.626 -14.707
271 HB3 TYR 37 1HB TYR 37 8.821 8.660 -12.986
272 HD1 TYR 37 1HD TYR 37 8.280 6.488 -15.924
273 HD2 TYR 37 2HD TYR 37 9.312 6.628 -11.757
274 HE1 TYR 37 1HE TYR 37 9.057 4.135 -16.037
275 HE2 TYR 37 2HE TYR 37 10.086 4.278 -11.867
276 HH TYR 37 HH TYR 37 9.312 2.176 -13.827
277 H VAL 38 H VAL 38 4.863 6.504 -13.419
278 HA VAL 38 HA VAL 38 4.887 5.752 -16.145
279 HB VAL 38 HB VAL 38 2.620 4.758 -15.591
280 HG11 VAL 38 1HG1 VAL 38 4.709 3.490 -15.321
281 HG12 VAL 38 2HG1 VAL 38 3.581 3.096 -14.024
282 HG13 VAL 38 3HG1 VAL 38 4.936 4.185 -13.717
283 HG21 VAL 38 3HG2 VAL 38 2.779 6.641 -13.490
284 HG22 VAL 38 1HG2 VAL 38 2.947 5.060 -12.729
285 HG23 VAL 38 2HG2 VAL 38 1.535 5.414 -13.724
286 HA PRO 39 HA PRO 39 2.575 9.085 -17.955
287 HB2 PRO 39 2HB PRO 39 1.430 7.827 -20.090
288 HB3 PRO 39 1HB PRO 39 3.159 8.227 -20.020
289 HG2 PRO 39 2HG PRO 39 1.797 5.628 -19.480
290 HG3 PRO 39 1HG PRO 39 3.294 5.955 -20.372
291 HD2 PRO 39 2HD PRO 39 3.307 5.053 -17.805
292 HD3 PRO 39 1HD PRO 39 4.570 6.127 -18.444
293 H VAL 40 H VAL 40 0.406 9.858 -18.355
294 HA VAL 40 HA VAL 40 -1.736 8.159 -17.220
295 HB VAL 40 HB VAL 40 -1.042 9.830 -15.551
296 HG11 VAL 40 1HG1 VAL 40 -0.589 11.441 -17.761
297 HG12 VAL 40 2HG1 VAL 40 -0.583 11.984 -16.083
298 HG13 VAL 40 3HG1 VAL 40 -2.046 12.138 -17.055
299 HG21 VAL 40 3HG2 VAL 40 -3.665 10.670 -16.815
300 HG22 VAL 40 1HG2 VAL 40 -3.229 10.720 -15.106
301 HG23 VAL 40 2HG2 VAL 40 -3.477 9.169 -15.909
302 H THR 41 H THR 41 -3.626 8.152 -18.307
303 HA THR 41 HA THR 41 -3.699 9.444 -20.903
304 HB THR 41 HB THR 41 -4.486 7.101 -20.541
305 HG1 THR 41 1HG THR 41 -5.685 7.511 -22.192
306 HG21 THR 41 3HG2 THR 41 -6.249 6.575 -19.165
307 HG22 THR 41 1HG2 THR 41 -7.026 8.143 -19.384
308 HG23 THR 41 2HG2 THR 41 -5.647 7.987 -18.295
309 H THR 42 H THR 42 -5.171 9.832 -17.752
310 HA THR 42 HA THR 42 -7.277 11.577 -18.565
311 HB THR 42 HB THR 42 -7.635 11.959 -16.243
312 HG1 THR 42 1HG THR 42 -5.291 12.383 -15.936
313 HG21 THR 42 3HG2 THR 42 -7.865 9.563 -17.169
314 HG22 THR 42 1HG2 THR 42 -7.820 9.751 -15.417
315 HG23 THR 42 2HG2 THR 42 -6.380 9.217 -16.282
Start of MODEL 14
1 HA ASP 1 HA ASP 1 -10.439 3.955 6.090
2 HB2 ASP 1 1HB ASP 1 -12.220 2.511 6.789
3 HB3 ASP 1 2HB ASP 1 -12.391 1.834 5.170
4 H CYS 2 H CYS 2 -8.481 3.094 5.504
5 HA CYS 2 HA CYS 2 -8.120 1.718 2.986
6 HB2 CYS 2 2HB CYS 2 -6.482 3.368 2.115
7 HB3 CYS 2 1HB CYS 2 -8.128 3.993 2.150
8 H ALA 3 H ALA 3 -5.813 1.119 2.634
9 HA ALA 3 HA ALA 3 -4.647 0.349 5.178
10 HB1 ALA 3 3HB ALA 3 -4.788 -0.846 2.692
11 HB2 ALA 3 1HB ALA 3 -3.742 -1.360 4.017
12 HB3 ALA 3 2HB ALA 3 -3.116 -0.285 2.765
13 H LYS 4 H LYS 4 -3.072 1.429 6.179
14 HA LYS 4 HA LYS 4 -1.870 3.757 4.944
15 HB2 LYS 4 1HB LYS 4 -1.516 2.486 7.666
16 HB3 LYS 4 2HB LYS 4 -0.713 3.971 7.158
17 HG2 LYS 4 1HG LYS 4 -2.909 5.017 6.740
18 HG3 LYS 4 2HG LYS 4 -3.711 3.535 7.264
19 HD2 LYS 4 1HD LYS 4 -2.736 3.750 9.493
20 HD3 LYS 4 2HD LYS 4 -1.829 5.174 8.985
21 HE2 LYS 4 1HE LYS 4 -3.845 5.868 10.190
22 HE3 LYS 4 2HE LYS 4 -3.971 6.335 8.495
23 HZ1 LYS 4 3HZ LYS 4 -5.060 3.771 9.482
24 HZ2 LYS 4 1HZ LYS 4 -5.440 4.600 8.051
25 HZ3 LYS 4 2HZ LYS 4 -5.967 5.205 9.547
26 H GLU 5 H GLU 5 0.650 3.898 5.811
27 HA GLU 5 HA GLU 5 2.089 2.304 3.986
28 HB2 GLU 5 1HB GLU 5 2.886 4.495 4.759
29 HB3 GLU 5 2HB GLU 5 3.122 3.844 6.381
30 HG2 GLU 5 1HG GLU 5 4.420 2.514 4.008
31 HG3 GLU 5 2HG GLU 5 5.160 3.929 4.743
32 H GLY 6 H GLY 6 3.208 0.458 4.172
33 HA2 GLY 6 1HA GLY 6 4.143 -1.434 5.113
34 HA3 GLY 6 2HA GLY 6 3.851 -0.756 6.698
35 H GLU 7 H GLU 7 1.026 -0.605 4.902
36 HA GLU 7 HA GLU 7 -0.005 -2.972 6.327
37 HB2 GLU 7 1HB GLU 7 -1.550 -0.721 5.028
38 HB3 GLU 7 2HB GLU 7 -2.214 -2.007 6.031
39 HG2 GLU 7 1HG GLU 7 -0.576 -1.209 7.849
40 HG3 GLU 7 2HG GLU 7 -0.376 0.237 6.861
41 H VAL 8 H VAL 8 -1.310 -4.504 5.277
42 HA VAL 8 HA VAL 8 -0.425 -5.273 2.731
43 HB VAL 8 HB VAL 8 -2.857 -6.129 4.302
44 HG11 VAL 8 1HG1 VAL 8 -2.449 -8.199 2.690
45 HG12 VAL 8 2HG1 VAL 8 -1.765 -6.958 1.639
46 HG13 VAL 8 3HG1 VAL 8 -3.441 -6.836 2.170
47 HG21 VAL 8 3HG2 VAL 8 -1.422 -8.138 4.725
48 HG22 VAL 8 1HG2 VAL 8 -0.739 -6.657 5.396
49 HG23 VAL 8 2HG2 VAL 8 -0.097 -7.324 3.894
50 H CYS 9 H CYS 9 -1.171 -4.966 0.700
51 HA CYS 9 HA CYS 9 -3.766 -3.609 0.343
52 HB2 CYS 9 2HB CYS 9 -2.810 -1.936 -1.147
53 HB3 CYS 9 1HB CYS 9 -2.039 -1.830 0.435
54 H SER 10 H SER 10 -4.413 -3.589 -1.984
55 HA SER 10 HA SER 10 -4.633 -4.560 -4.073
56 HB2 SER 10 1HB SER 10 -1.970 -4.724 -3.719
57 HB3 SER 10 2HB SER 10 -2.371 -6.435 -3.743
58 HG SER 10 HG SER 10 -3.289 -4.564 -5.666
59 H TRP 11 H TRP 11 -3.846 -6.574 -1.306
60 HA TRP 11 HA TRP 11 -4.999 -8.979 -2.297
61 HB2 TRP 11 2HB TRP 11 -3.690 -8.112 0.079
62 HB3 TRP 11 1HB TRP 11 -5.200 -8.878 0.554
63 HD1 TRP 11 1HD TRP 11 -1.790 -9.783 0.003
64 HE1 TRP 11 1HE TRP 11 -1.529 -12.264 -0.653
65 HE3 TRP 11 3HE TRP 11 -6.608 -10.860 -1.250
66 HZ2 TRP 11 2HZ TRP 11 -3.161 -14.425 -1.587
67 HZ3 TRP 11 3HZ TRP 11 -7.236 -13.136 -2.018
68 HH2 TRP 11 2HH TRP 11 -5.517 -14.916 -2.189
69 H GLY 12 H GLY 12 -6.642 -6.536 -2.604
70 HA2 GLY 12 1HA GLY 12 -9.048 -6.668 -2.819
71 HA3 GLY 12 2HA GLY 12 -9.093 -7.556 -1.301
72 H LYS 13 H LYS 13 -6.839 -5.099 -1.098
73 HA LYS 13 HA LYS 13 -8.799 -3.206 0.058
74 HB2 LYS 13 1HB LYS 13 -6.076 -3.953 1.149
75 HB3 LYS 13 2HB LYS 13 -7.099 -2.665 1.783
76 HG2 LYS 13 1HG LYS 13 -8.883 -4.316 2.247
77 HG3 LYS 13 2HG LYS 13 -7.842 -5.603 1.636
78 HD2 LYS 13 1HD LYS 13 -6.163 -5.053 3.378
79 HD3 LYS 13 2HD LYS 13 -7.247 -3.813 4.010
80 HE2 LYS 13 1HE LYS 13 -7.919 -6.763 3.803
81 HE3 LYS 13 2HE LYS 13 -7.436 -5.937 5.283
82 HZ1 LYS 13 3HZ LYS 13 -9.845 -5.380 3.640
83 HZ2 LYS 13 1HZ LYS 13 -9.351 -4.435 4.959
84 HZ3 LYS 13 2HZ LYS 13 -9.806 -6.055 5.199
85 H LYS 14 H LYS 14 -8.280 -1.001 -0.101
86 HA LYS 14 HA LYS 14 -6.333 -0.379 -2.232
87 HB2 LYS 14 1HB LYS 14 -8.712 1.186 -1.206
88 HB3 LYS 14 2HB LYS 14 -7.621 1.731 -2.482
89 HG2 LYS 14 1HG LYS 14 -8.185 -0.405 -3.732
90 HG3 LYS 14 2HG LYS 14 -9.448 -0.686 -2.533
91 HD2 LYS 14 1HD LYS 14 -9.254 1.856 -4.170
92 HD3 LYS 14 2HD LYS 14 -10.223 0.468 -4.658
93 HE2 LYS 14 1HE LYS 14 -11.428 0.631 -2.447
94 HE3 LYS 14 2HE LYS 14 -10.564 2.139 -2.151
95 HZ1 LYS 14 3HZ LYS 14 -12.464 1.554 -4.346
96 HZ2 LYS 14 1HZ LYS 14 -11.464 2.924 -4.329
97 HZ3 LYS 14 2HZ LYS 14 -12.628 2.708 -3.109
98 H CYS 15 H CYS 15 -4.612 0.813 -1.824
99 HA CYS 15 HA CYS 15 -3.873 1.450 0.849
100 HB2 CYS 15 2HB CYS 15 -2.401 0.931 -1.245
101 HB3 CYS 15 1HB CYS 15 -2.570 2.655 -1.559
102 H CYS 16 H CYS 16 -3.564 3.500 1.778
103 HA CYS 16 HA CYS 16 -5.625 5.364 1.401
104 HB2 CYS 16 2HB CYS 16 -2.937 5.637 2.760
105 HB3 CYS 16 1HB CYS 16 -4.247 6.808 2.902
106 H ASP 17 H ASP 17 -2.548 5.015 -0.137
107 HA ASP 17 HA ASP 17 -3.212 7.197 -1.944
108 HB2 ASP 17 1HB ASP 17 -1.059 7.362 0.085
109 HB3 ASP 17 2HB ASP 17 -0.643 7.884 -1.545
110 H LEU 18 H LEU 18 -3.370 5.420 -3.414
111 HA LEU 18 HA LEU 18 -1.237 3.627 -3.948
112 HB2 LEU 18 1HB LEU 18 -3.618 4.531 -5.567
113 HB3 LEU 18 2HB LEU 18 -2.482 3.321 -6.156
114 HG LEU 18 HG LEU 18 -3.854 3.078 -3.465
115 HD11 LEU 18 1HD1 LEU 18 -5.536 3.219 -5.305
116 HD12 LEU 18 2HD1 LEU 18 -5.507 1.640 -4.519
117 HD13 LEU 18 3HD1 LEU 18 -4.740 1.855 -6.093
118 HD21 LEU 18 3HD2 LEU 18 -2.087 1.525 -3.512
119 HD22 LEU 18 1HD2 LEU 18 -2.229 1.262 -5.248
120 HD23 LEU 18 2HD2 LEU 18 -3.421 0.573 -4.151
121 H ASP 19 H ASP 19 -1.775 6.917 -4.785
122 HA ASP 19 HA ASP 19 -0.147 6.968 -7.144
123 HB2 ASP 19 1HB ASP 19 -1.153 9.128 -5.288
124 HB3 ASP 19 2HB ASP 19 -0.194 9.462 -6.730
125 H ASN 20 H ASN 20 0.393 7.559 -3.700
126 HA ASN 20 HA ASN 20 3.227 8.157 -4.228
127 HB2 ASN 20 1HB ASN 20 1.612 8.302 -1.678
128 HB3 ASN 20 2HB ASN 20 3.291 8.771 -1.830
129 HD21 ASN 20 1HD2 ASN 20 0.666 11.561 -2.431
130 HD22 ASN 20 2HD2 ASN 20 0.567 10.254 -1.362
131 H PHE 21 H PHE 21 1.133 5.706 -2.948
132 HA PHE 21 HA PHE 21 3.491 4.133 -2.131
133 HB2 PHE 21 2HB PHE 21 0.626 3.977 -1.191
134 HB3 PHE 21 1HB PHE 21 1.870 2.809 -0.765
135 HD1 PHE 21 1HD PHE 21 1.019 6.434 -0.617
136 HD2 PHE 21 2HD PHE 21 3.416 3.245 0.983
137 HE1 PHE 21 1HE PHE 21 1.771 7.921 1.211
138 HE2 PHE 21 2HE PHE 21 4.168 4.738 2.810
139 HZ PHE 21 HZ PHE 21 3.347 7.073 2.932
140 H TYR 22 H TYR 22 3.472 1.864 -2.599
141 HA TYR 22 HA TYR 22 1.690 1.088 -4.822
142 HB2 TYR 22 2HB TYR 22 3.524 0.253 -6.093
143 HB3 TYR 22 1HB TYR 22 3.993 1.865 -5.583
144 HD1 TYR 22 1HD TYR 22 4.549 -1.759 -5.016
145 HD2 TYR 22 2HD TYR 22 5.696 2.235 -3.968
146 HE1 TYR 22 1HE TYR 22 6.614 -2.584 -4.033
147 HE2 TYR 22 2HE TYR 22 7.738 1.400 -2.962
148 HH TYR 22 HH TYR 22 8.230 -1.880 -2.272
149 H CYS 23 H CYS 23 1.667 -1.267 -5.179
150 HA CYS 23 HA CYS 23 1.887 -2.688 -2.628
151 HB2 CYS 23 2HB CYS 23 0.241 -3.262 -5.080
152 HB3 CYS 23 1HB CYS 23 0.338 -4.319 -3.675
153 HA PRO 24 HA PRO 24 5.586 -4.533 -4.646
154 HB2 PRO 24 2HB PRO 24 5.328 -6.203 -2.179
155 HB3 PRO 24 1HB PRO 24 6.758 -5.410 -2.855
156 HG2 PRO 24 2HG PRO 24 5.537 -4.418 -0.743
157 HG3 PRO 24 1HG PRO 24 6.198 -3.366 -1.986
158 HD2 PRO 24 2HD PRO 24 3.355 -4.062 -1.433
159 HD3 PRO 24 1HD PRO 24 4.053 -2.562 -2.051
160 H MET 25 H MET 25 5.989 -6.476 -5.707
161 HA MET 25 HA MET 25 3.636 -8.175 -6.101
162 HB2 MET 25 1HB MET 25 4.972 -7.285 -8.037
163 HB3 MET 25 2HB MET 25 6.309 -8.310 -7.511
164 HG2 MET 25 1HG MET 25 4.864 -10.303 -7.725
165 HG3 MET 25 2HG MET 25 3.530 -9.275 -8.247
166 HE1 MET 25 3HE MET 25 6.885 -10.729 -8.781
167 HE2 MET 25 1HE MET 25 7.507 -9.166 -9.324
168 HE3 MET 25 2HE MET 25 7.315 -10.486 -10.472
169 H GLU 26 H GLU 26 3.974 -8.954 -3.801
170 HA GLU 26 HA GLU 26 5.604 -11.385 -3.874
171 HB2 GLU 26 1HB GLU 26 5.639 -9.259 -1.728
172 HB3 GLU 26 2HB GLU 26 6.162 -10.913 -1.423
173 HG2 GLU 26 1HG GLU 26 8.153 -9.769 -1.993
174 HG3 GLU 26 2HG GLU 26 7.712 -10.612 -3.474
175 H PHE 27 H PHE 27 5.070 -12.563 -1.623
176 HA PHE 27 HA PHE 27 2.448 -13.515 -1.863
177 HB2 PHE 27 2HB PHE 27 4.270 -14.808 -0.817
178 HB3 PHE 27 1HB PHE 27 4.280 -13.683 0.543
179 HD1 PHE 27 1HD PHE 27 2.019 -15.957 -1.378
180 HD2 PHE 27 2HD PHE 27 2.838 -14.036 2.377
181 HE1 PHE 27 1HE PHE 27 0.175 -17.235 -0.324
182 HE2 PHE 27 2HE PHE 27 0.992 -15.316 3.431
183 HZ PHE 27 HZ PHE 27 -0.340 -16.913 2.081
184 H ILE 28 H ILE 28 3.853 -11.242 0.485
185 HA ILE 28 HA ILE 28 1.115 -10.326 1.115
186 HB ILE 28 HB ILE 28 2.133 -9.793 3.419
187 HG12 ILE 28 1HG1 ILE 28 4.016 -12.007 2.550
188 HG13 ILE 28 2HG1 ILE 28 4.483 -10.310 2.628
189 HG21 ILE 28 1HG2 ILE 28 1.199 -12.368 2.279
190 HG22 ILE 28 2HG2 ILE 28 0.522 -11.410 3.594
191 HG23 ILE 28 3HG2 ILE 28 1.916 -12.452 3.887
192 HD11 ILE 28 3HD1 ILE 28 4.861 -10.498 4.836
193 HD12 ILE 28 1HD1 ILE 28 4.443 -12.208 4.749
194 HD13 ILE 28 2HD1 ILE 28 3.194 -11.012 5.093
195 HA PRO 29 HA PRO 29 3.645 -6.800 -0.604
196 HB2 PRO 29 2HB PRO 29 0.847 -5.981 -1.238
197 HB3 PRO 29 1HB PRO 29 2.292 -5.937 -2.266
198 HG2 PRO 29 2HG PRO 29 0.419 -7.763 -2.644
199 HG3 PRO 29 1HG PRO 29 2.131 -8.195 -2.788
200 HD2 PRO 29 2HD PRO 29 0.235 -8.762 -0.529
201 HD3 PRO 29 1HD PRO 29 1.518 -9.786 -1.210
202 H HIS 30 H HIS 30 3.807 -4.665 0.181
203 HA HIS 30 HA HIS 30 1.839 -3.853 2.219
204 HB2 HIS 30 1HB HIS 30 4.835 -3.774 2.626
205 HB3 HIS 30 2HB HIS 30 3.627 -3.098 3.704
206 HD1 HIS 30 HD1 HIS 30 5.324 -6.257 2.895
207 HD2 HIS 30 HD2 HIS 30 1.823 -5.093 4.836
208 HE1 HIS 30 HE1 HIS 30 4.549 -8.263 4.234
209 H CYS 31 H CYS 31 1.391 -1.707 2.274
210 HA CYS 31 HA CYS 31 1.909 -0.121 0.019
211 HB2 CYS 31 2HB CYS 31 0.916 0.459 2.786
212 HB3 CYS 31 1HB CYS 31 1.226 1.783 1.671
213 H LYS 32 H LYS 32 3.762 0.770 -0.618
214 HA LYS 32 HA LYS 32 5.587 1.851 1.450
215 HB2 LYS 32 1HB LYS 32 6.393 -0.350 0.560
216 HB3 LYS 32 2HB LYS 32 6.460 0.376 -1.026
217 HG2 LYS 32 1HG LYS 32 8.653 0.671 -0.314
218 HG3 LYS 32 2HG LYS 32 7.936 2.206 0.161
219 HD2 LYS 32 1HD LYS 32 7.582 1.366 2.444
220 HD3 LYS 32 2HD LYS 32 8.254 -0.198 1.981
221 HE2 LYS 32 1HE LYS 32 9.973 1.148 3.101
222 HE3 LYS 32 2HE LYS 32 10.401 0.916 1.405
223 HZ1 LYS 32 3HZ LYS 32 9.987 3.077 0.903
224 HZ2 LYS 32 1HZ LYS 32 10.440 3.279 2.526
225 HZ3 LYS 32 2HZ LYS 32 8.795 3.257 2.099
226 H LYS 33 H LYS 33 6.160 3.887 1.117
227 HA LYS 33 HA LYS 33 5.174 5.369 -1.080
228 HB2 LYS 33 1HB LYS 33 5.562 6.357 1.146
229 HB3 LYS 33 2HB LYS 33 7.297 6.163 0.911
230 HG2 LYS 33 1HG LYS 33 7.263 7.646 -1.006
231 HG3 LYS 33 2HG LYS 33 5.504 7.743 -0.951
232 HD2 LYS 33 1HD LYS 33 7.033 8.492 1.510
233 HD3 LYS 33 2HD LYS 33 7.019 9.630 0.162
234 HE2 LYS 33 1HE LYS 33 4.548 9.577 0.141
235 HE3 LYS 33 2HE LYS 33 4.563 8.446 1.493
236 HZ1 LYS 33 3HZ LYS 33 5.500 11.256 1.465
237 HZ2 LYS 33 1HZ LYS 33 5.872 10.180 2.721
238 HZ3 LYS 33 2HZ LYS 33 4.253 10.583 2.401
239 H TYR 34 H TYR 34 6.073 5.959 -2.970
240 HA TYR 34 HA TYR 34 8.937 5.587 -3.407
241 HB2 TYR 34 2HB TYR 34 8.703 4.187 -5.279
242 HB3 TYR 34 1HB TYR 34 7.664 3.475 -4.053
243 HD1 TYR 34 1HD TYR 34 7.829 4.517 -7.411
244 HD2 TYR 34 2HD TYR 34 5.155 4.469 -4.042
245 HE1 TYR 34 1HE TYR 34 5.893 4.719 -8.935
246 HE2 TYR 34 2HE TYR 34 3.227 4.637 -5.573
247 HH TYR 34 HH TYR 34 3.687 5.077 -9.070
248 H LYS 35 H LYS 35 9.166 6.101 -6.011
249 HA LYS 35 HA LYS 35 8.154 8.826 -6.189
250 HB2 LYS 35 1HB LYS 35 9.849 8.870 -8.167
251 HB3 LYS 35 2HB LYS 35 10.433 8.910 -6.503
252 HG2 LYS 35 1HG LYS 35 10.038 6.230 -7.749
253 HG3 LYS 35 2HG LYS 35 11.414 7.183 -8.300
254 HD2 LYS 35 1HD LYS 35 12.146 7.445 -5.940
255 HD3 LYS 35 2HD LYS 35 10.814 6.408 -5.422
256 HE2 LYS 35 1HE LYS 35 11.689 4.561 -6.757
257 HE3 LYS 35 2HE LYS 35 12.986 5.589 -7.368
258 HZ1 LYS 35 3HZ LYS 35 13.534 5.946 -4.919
259 HZ2 LYS 35 1HZ LYS 35 13.950 4.454 -5.608
260 HZ3 LYS 35 2HZ LYS 35 12.568 4.581 -4.627
261 HA PRO 36 HA PRO 36 5.397 7.010 -9.332
262 HB2 PRO 36 2HB PRO 36 3.642 9.076 -9.508
263 HB3 PRO 36 1HB PRO 36 3.608 7.899 -8.181
264 HG2 PRO 36 2HG PRO 36 4.664 10.674 -8.226
265 HG3 PRO 36 1HG PRO 36 3.829 9.802 -6.930
266 HD2 PRO 36 2HD PRO 36 6.569 10.182 -7.048
267 HD3 PRO 36 1HD PRO 36 5.780 8.889 -6.123
268 H TYR 37 H TYR 37 7.596 9.473 -9.541
269 HA TYR 37 HA TYR 37 8.609 10.557 -11.293
270 HB2 TYR 37 2HB TYR 37 6.910 8.889 -13.153
271 HB3 TYR 37 1HB TYR 37 8.488 9.603 -13.468
272 HD1 TYR 37 1HD TYR 37 6.780 6.664 -12.423
273 HD2 TYR 37 2HD TYR 37 10.434 8.857 -11.880
274 HE1 TYR 37 1HE TYR 37 7.885 4.612 -11.579
275 HE2 TYR 37 2HE TYR 37 11.539 6.804 -11.038
276 HH TYR 37 HH TYR 37 11.325 4.640 -10.623
277 H VAL 38 H VAL 38 8.122 12.023 -13.179
278 HA VAL 38 HA VAL 38 5.372 13.104 -13.018
279 HB VAL 38 HB VAL 38 6.308 15.371 -13.123
280 HG11 VAL 38 1HG1 VAL 38 7.454 13.695 -10.870
281 HG12 VAL 38 2HG1 VAL 38 5.809 14.323 -10.934
282 HG13 VAL 38 3HG1 VAL 38 7.172 15.434 -10.821
283 HG21 VAL 38 3HG2 VAL 38 8.961 15.036 -12.326
284 HG22 VAL 38 1HG2 VAL 38 8.420 15.549 -13.924
285 HG23 VAL 38 2HG2 VAL 38 8.755 13.845 -13.611
286 HA PRO 39 HA PRO 39 6.811 12.392 -17.404
287 HB2 PRO 39 2HB PRO 39 4.703 10.854 -18.198
288 HB3 PRO 39 1HB PRO 39 6.160 10.185 -17.439
289 HG2 PRO 39 2HG PRO 39 3.490 10.746 -16.250
290 HG3 PRO 39 1HG PRO 39 4.593 9.388 -15.966
291 HD2 PRO 39 2HD PRO 39 4.348 11.517 -14.258
292 HD3 PRO 39 1HD PRO 39 5.830 10.547 -14.399
293 H VAL 40 H VAL 40 5.974 13.364 -19.296
294 HA VAL 40 HA VAL 40 4.281 15.604 -18.882
295 HB VAL 40 HB VAL 40 4.438 15.895 -21.331
296 HG11 VAL 40 1HG1 VAL 40 6.301 16.846 -20.333
297 HG12 VAL 40 2HG1 VAL 40 7.084 15.638 -21.351
298 HG13 VAL 40 3HG1 VAL 40 6.836 15.318 -19.635
299 HG21 VAL 40 3HG2 VAL 40 5.090 13.046 -21.151
300 HG22 VAL 40 1HG2 VAL 40 6.251 13.947 -22.126
301 HG23 VAL 40 2HG2 VAL 40 4.536 13.983 -22.538
302 H THR 41 H THR 41 3.640 12.313 -19.552
303 HA THR 41 HA THR 41 1.133 12.686 -20.912
304 HB THR 41 HB THR 41 0.853 10.285 -20.610
305 HG1 THR 41 1HG THR 41 2.553 10.783 -18.539
306 HG21 THR 41 3HG2 THR 41 3.788 10.792 -21.114
307 HG22 THR 41 1HG2 THR 41 2.541 11.249 -22.274
308 HG23 THR 41 2HG2 THR 41 2.761 9.555 -21.837
309 H THR 42 H THR 42 -0.941 11.936 -19.998
310 HA THR 42 HA THR 42 -1.202 12.808 -17.189
311 HB THR 42 HB THR 42 -3.175 12.748 -19.478
312 HG1 THR 42 1HG THR 42 -1.685 14.647 -18.105
313 HG21 THR 42 3HG2 THR 42 -4.555 12.167 -17.690
314 HG22 THR 42 1HG2 THR 42 -4.608 13.929 -17.619
315 HG23 THR 42 2HG2 THR 42 -3.565 13.033 -16.514
Start of MODEL 15
1 HA ASP 1 HA ASP 1 -11.587 1.422 5.891
2 HB2 ASP 1 1HB ASP 1 -11.982 3.768 4.470
3 HB3 ASP 1 2HB ASP 1 -13.014 3.172 5.768
4 H CYS 2 H CYS 2 -8.501 2.342 5.784
5 HA CYS 2 HA CYS 2 -8.158 1.426 3.047
6 HB2 CYS 2 2HB CYS 2 -6.845 3.346 2.339
7 HB3 CYS 2 1HB CYS 2 -8.464 3.875 2.791
8 H ALA 3 H ALA 3 -5.807 1.164 2.521
9 HA ALA 3 HA ALA 3 -4.450 0.030 4.821
10 HB1 ALA 3 3HB ALA 3 -3.535 -1.333 3.294
11 HB2 ALA 3 1HB ALA 3 -2.884 0.036 2.392
12 HB3 ALA 3 2HB ALA 3 -4.525 -0.530 2.072
13 H LYS 4 H LYS 4 -2.807 0.928 5.913
14 HA LYS 4 HA LYS 4 -1.878 3.580 5.073
15 HB2 LYS 4 1HB LYS 4 -1.490 2.054 7.661
16 HB3 LYS 4 2HB LYS 4 -0.907 3.688 7.353
17 HG2 LYS 4 1HG LYS 4 -3.226 4.437 6.935
18 HG3 LYS 4 2HG LYS 4 -3.805 2.804 7.262
19 HD2 LYS 4 1HD LYS 4 -2.879 2.927 9.547
20 HD3 LYS 4 2HD LYS 4 -2.308 4.564 9.224
21 HE2 LYS 4 1HE LYS 4 -4.610 5.321 8.846
22 HE3 LYS 4 2HE LYS 4 -5.207 3.682 9.108
23 HZ1 LYS 4 3HZ LYS 4 -4.582 3.741 11.346
24 HZ2 LYS 4 1HZ LYS 4 -5.292 5.257 11.067
25 HZ3 LYS 4 2HZ LYS 4 -3.601 5.113 11.140
26 H GLU 5 H GLU 5 0.510 4.021 5.586
27 HA GLU 5 HA GLU 5 2.146 2.608 3.860
28 HB2 GLU 5 1HB GLU 5 2.742 4.816 4.712
29 HB3 GLU 5 2HB GLU 5 2.940 4.161 6.337
30 HG2 GLU 5 1HG GLU 5 4.802 2.794 5.637
31 HG3 GLU 5 2HG GLU 5 4.528 3.194 3.944
32 H GLY 6 H GLY 6 3.106 0.685 3.924
33 HA2 GLY 6 1HA GLY 6 4.206 -1.167 4.776
34 HA3 GLY 6 2HA GLY 6 4.061 -0.490 6.378
35 H GLU 7 H GLU 7 1.070 -0.333 4.979
36 HA GLU 7 HA GLU 7 0.157 -2.651 6.518
37 HB2 GLU 7 1HB GLU 7 -0.926 -0.335 6.645
38 HB3 GLU 7 2HB GLU 7 -1.576 -0.677 5.041
39 HG2 GLU 7 1HG GLU 7 -2.695 -2.673 5.862
40 HG3 GLU 7 2HG GLU 7 -1.973 -2.459 7.455
41 H VAL 8 H VAL 8 -1.158 -4.289 5.632
42 HA VAL 8 HA VAL 8 -0.367 -5.282 3.149
43 HB VAL 8 HB VAL 8 -2.790 -5.902 4.838
44 HG11 VAL 8 1HG1 VAL 8 -2.543 -8.107 3.370
45 HG12 VAL 8 2HG1 VAL 8 -1.864 -6.975 2.200
46 HG13 VAL 8 3HG1 VAL 8 -3.505 -6.743 2.802
47 HG21 VAL 8 3HG2 VAL 8 -0.114 -7.270 4.412
48 HG22 VAL 8 1HG2 VAL 8 -1.438 -7.942 5.360
49 HG23 VAL 8 2HG2 VAL 8 -0.649 -6.453 5.880
50 H CYS 9 H CYS 9 -1.073 -5.035 1.096
51 HA CYS 9 HA CYS 9 -3.635 -3.623 0.660
52 HB2 CYS 9 2HB CYS 9 -2.625 -2.133 -0.964
53 HB3 CYS 9 1HB CYS 9 -1.776 -1.961 0.571
54 H SER 10 H SER 10 -4.264 -3.728 -1.694
55 HA SER 10 HA SER 10 -4.634 -4.895 -3.645
56 HB2 SER 10 1HB SER 10 -2.249 -6.631 -3.078
57 HB3 SER 10 2HB SER 10 -2.919 -6.137 -4.618
58 HG SER 10 HG SER 10 -2.327 -3.937 -3.933
59 H TRP 11 H TRP 11 -3.880 -6.620 -0.697
60 HA TRP 11 HA TRP 11 -5.061 -9.110 -1.431
61 HB2 TRP 11 2HB TRP 11 -3.730 -8.007 0.840
62 HB3 TRP 11 1HB TRP 11 -5.224 -8.728 1.393
63 HD1 TRP 11 1HD TRP 11 -1.806 -9.645 0.784
64 HE1 TRP 11 1HE TRP 11 -1.545 -12.182 0.408
65 HE3 TRP 11 3HE TRP 11 -6.678 -10.913 -0.037
66 HZ2 TRP 11 2HZ TRP 11 -3.188 -14.451 -0.166
67 HZ3 TRP 11 3HZ TRP 11 -7.306 -13.274 -0.497
68 HH2 TRP 11 2HH TRP 11 -5.566 -15.041 -0.562
69 H GLY 12 H GLY 12 -6.764 -7.014 -2.211
70 HA2 GLY 12 1HA GLY 12 -9.145 -7.043 -2.283
71 HA3 GLY 12 2HA GLY 12 -9.163 -7.718 -0.657
72 H LYS 13 H LYS 13 -6.895 -5.284 -0.764
73 HA LYS 13 HA LYS 13 -8.838 -3.201 0.021
74 HB2 LYS 13 1HB LYS 13 -6.295 -3.949 1.483
75 HB3 LYS 13 2HB LYS 13 -7.290 -2.539 1.846
76 HG2 LYS 13 1HG LYS 13 -9.216 -4.015 2.306
77 HG3 LYS 13 2HG LYS 13 -8.218 -5.426 1.952
78 HD2 LYS 13 1HD LYS 13 -6.680 -4.773 3.790
79 HD3 LYS 13 2HD LYS 13 -7.737 -3.412 4.168
80 HE2 LYS 13 1HE LYS 13 -8.586 -6.323 4.200
81 HE3 LYS 13 2HE LYS 13 -8.181 -5.376 5.631
82 HZ1 LYS 13 3HZ LYS 13 -10.513 -5.188 3.871
83 HZ2 LYS 13 1HZ LYS 13 -9.942 -3.759 4.582
84 HZ3 LYS 13 2HZ LYS 13 -10.417 -5.063 5.563
85 H LYS 14 H LYS 14 -8.182 -1.055 -0.365
86 HA LYS 14 HA LYS 14 -5.975 -0.804 -2.308
87 HB2 LYS 14 1HB LYS 14 -7.094 1.267 -2.992
88 HB3 LYS 14 2HB LYS 14 -8.203 -0.095 -3.098
89 HG2 LYS 14 1HG LYS 14 -9.133 0.511 -0.884
90 HG3 LYS 14 2HG LYS 14 -8.049 1.899 -0.814
91 HD2 LYS 14 1HD LYS 14 -9.069 2.823 -2.850
92 HD3 LYS 14 2HD LYS 14 -10.151 1.433 -2.944
93 HE2 LYS 14 1HE LYS 14 -11.112 2.025 -0.752
94 HE3 LYS 14 2HE LYS 14 -10.027 3.410 -0.647
95 HZ1 LYS 14 3HZ LYS 14 -11.127 4.513 -2.316
96 HZ2 LYS 14 1HZ LYS 14 -12.416 3.718 -1.553
97 HZ3 LYS 14 2HZ LYS 14 -11.769 3.095 -2.996
98 H CYS 15 H CYS 15 -4.351 0.662 -2.028
99 HA CYS 15 HA CYS 15 -3.727 1.415 0.663
100 HB2 CYS 15 2HB CYS 15 -2.134 0.854 -1.327
101 HB3 CYS 15 1HB CYS 15 -2.353 2.549 -1.737
102 H CYS 16 H CYS 16 -4.263 3.219 1.717
103 HA CYS 16 HA CYS 16 -6.102 5.067 1.002
104 HB2 CYS 16 2HB CYS 16 -4.252 4.814 3.085
105 HB3 CYS 16 1HB CYS 16 -3.984 6.424 2.429
106 H ASP 17 H ASP 17 -2.707 5.116 0.124
107 HA ASP 17 HA ASP 17 -3.312 7.268 -1.805
108 HB2 ASP 17 1HB ASP 17 -0.958 7.078 0.072
109 HB3 ASP 17 2HB ASP 17 -0.948 8.097 -1.367
110 H LEU 18 H LEU 18 -3.336 6.020 -3.619
111 HA LEU 18 HA LEU 18 -1.216 4.072 -4.080
112 HB2 LEU 18 1HB LEU 18 -3.672 4.864 -5.660
113 HB3 LEU 18 2HB LEU 18 -2.505 3.673 -6.218
114 HG LEU 18 HG LEU 18 -3.728 3.424 -3.474
115 HD11 LEU 18 1HD1 LEU 18 -5.365 1.813 -4.667
116 HD12 LEU 18 2HD1 LEU 18 -4.950 2.695 -6.139
117 HD13 LEU 18 3HD1 LEU 18 -5.696 3.541 -4.784
118 HD21 LEU 18 3HD2 LEU 18 -3.358 0.971 -4.072
119 HD22 LEU 18 1HD2 LEU 18 -1.891 1.920 -3.911
120 HD23 LEU 18 2HD2 LEU 18 -2.509 1.523 -5.507
121 H ASP 19 H ASP 19 -1.593 7.341 -4.494
122 HA ASP 19 HA ASP 19 -0.108 7.489 -7.013
123 HB2 ASP 19 1HB ASP 19 -0.471 9.897 -6.844
124 HB3 ASP 19 2HB ASP 19 -1.994 9.044 -6.610
125 H ASN 20 H ASN 20 0.668 6.967 -3.878
126 HA ASN 20 HA ASN 20 3.344 8.145 -4.235
127 HB2 ASN 20 1HB ASN 20 1.681 8.328 -1.719
128 HB3 ASN 20 2HB ASN 20 3.356 8.804 -1.847
129 HD21 ASN 20 1HD2 ASN 20 0.542 11.427 -2.834
130 HD22 ASN 20 2HD2 ASN 20 0.263 10.044 -1.903
131 H PHE 21 H PHE 21 1.299 5.620 -3.096
132 HA PHE 21 HA PHE 21 3.671 4.116 -2.185
133 HB2 PHE 21 2HB PHE 21 0.798 3.832 -1.291
134 HB3 PHE 21 1HB PHE 21 2.132 2.818 -0.762
135 HD1 PHE 21 1HD PHE 21 1.040 6.384 -0.917
136 HD2 PHE 21 2HD PHE 21 3.484 3.466 1.053
137 HE1 PHE 21 1HE PHE 21 1.608 8.049 0.823
138 HE2 PHE 21 2HE PHE 21 4.062 5.136 2.793
139 HZ PHE 21 HZ PHE 21 3.128 7.424 2.679
140 H TYR 22 H TYR 22 3.666 1.821 -2.625
141 HA TYR 22 HA TYR 22 1.889 1.011 -4.842
142 HB2 TYR 22 2HB TYR 22 3.726 0.128 -6.096
143 HB3 TYR 22 1HB TYR 22 4.193 1.755 -5.641
144 HD1 TYR 22 1HD TYR 22 4.709 -1.844 -4.926
145 HD2 TYR 22 2HD TYR 22 5.945 2.160 -4.037
146 HE1 TYR 22 1HE TYR 22 6.706 -2.689 -3.831
147 HE2 TYR 22 2HE TYR 22 7.940 1.307 -2.924
148 HH TYR 22 HH TYR 22 8.301 -1.919 -2.016
149 H CYS 23 H CYS 23 1.839 -1.350 -5.150
150 HA CYS 23 HA CYS 23 2.050 -2.707 -2.587
151 HB2 CYS 23 2HB CYS 23 0.334 -3.248 -4.957
152 HB3 CYS 23 1HB CYS 23 0.500 -4.370 -3.612
153 HA PRO 24 HA PRO 24 5.697 -4.677 -4.492
154 HB2 PRO 24 2HB PRO 24 5.311 -6.382 -2.067
155 HB3 PRO 24 1HB PRO 24 6.773 -5.599 -2.668
156 HG2 PRO 24 2HG PRO 24 5.474 -4.625 -0.590
157 HG3 PRO 24 1HG PRO 24 6.243 -3.576 -1.767
158 HD2 PRO 24 2HD PRO 24 3.358 -4.171 -1.366
159 HD3 PRO 24 1HD PRO 24 4.149 -2.691 -1.939
160 H MET 25 H MET 25 5.990 -6.544 -5.674
161 HA MET 25 HA MET 25 3.621 -8.086 -6.277
162 HB2 MET 25 1HB MET 25 6.462 -8.195 -7.302
163 HB3 MET 25 2HB MET 25 5.189 -9.277 -7.869
164 HG2 MET 25 1HG MET 25 3.820 -7.241 -8.444
165 HG3 MET 25 2HG MET 25 5.226 -6.253 -8.059
166 HE1 MET 25 3HE MET 25 7.784 -6.808 -10.593
167 HE2 MET 25 1HE MET 25 7.782 -8.034 -9.319
168 HE3 MET 25 2HE MET 25 7.343 -6.370 -8.948
169 H GLU 26 H GLU 26 3.616 -8.808 -3.887
170 HA GLU 26 HA GLU 26 4.914 -11.438 -3.767
171 HB2 GLU 26 1HB GLU 26 4.892 -9.353 -1.576
172 HB3 GLU 26 2HB GLU 26 5.308 -11.047 -1.317
173 HG2 GLU 26 1HG GLU 26 7.151 -10.879 -2.909
174 HG3 GLU 26 2HG GLU 26 6.702 -9.218 -3.290
175 H PHE 27 H PHE 27 3.939 -12.675 -1.826
176 HA PHE 27 HA PHE 27 1.120 -12.864 -2.250
177 HB2 PHE 27 2HB PHE 27 1.505 -14.407 -0.073
178 HB3 PHE 27 1HB PHE 27 1.860 -14.947 -1.715
179 HD1 PHE 27 1HD PHE 27 3.241 -14.088 1.525
180 HD2 PHE 27 2HD PHE 27 4.208 -14.699 -2.614
181 HE1 PHE 27 1HE PHE 27 5.639 -14.315 2.118
182 HE2 PHE 27 2HE PHE 27 6.604 -14.935 -2.022
183 HZ PHE 27 HZ PHE 27 7.320 -14.744 0.344
184 H ILE 28 H ILE 28 3.001 -10.872 -0.296
185 HA ILE 28 HA ILE 28 0.624 -10.027 1.180
186 HB ILE 28 HB ILE 28 2.090 -9.799 3.242
187 HG12 ILE 28 1HG1 ILE 28 3.741 -11.867 1.780
188 HG13 ILE 28 2HG1 ILE 28 4.228 -10.192 1.954
189 HG21 ILE 28 1HG2 ILE 28 1.646 -12.096 3.933
190 HG22 ILE 28 2HG2 ILE 28 1.521 -12.603 2.249
191 HG23 ILE 28 3HG2 ILE 28 0.308 -11.525 2.938
192 HD11 ILE 28 3HD1 ILE 28 4.615 -12.296 3.810
193 HD12 ILE 28 1HD1 ILE 28 3.429 -11.202 4.523
194 HD13 ILE 28 2HD1 ILE 28 5.003 -10.587 4.022
195 HA PRO 29 HA PRO 29 3.246 -6.641 -0.721
196 HB2 PRO 29 2HB PRO 29 0.533 -5.661 -1.435
197 HB3 PRO 29 1HB PRO 29 1.984 -5.805 -2.440
198 HG2 PRO 29 2HG PRO 29 -0.075 -7.474 -2.725
199 HG3 PRO 29 1HG PRO 29 1.599 -8.044 -2.895
200 HD2 PRO 29 2HD PRO 29 -0.278 -8.365 -0.564
201 HD3 PRO 29 1HD PRO 29 0.870 -9.528 -1.256
202 H HIS 30 H HIS 30 3.705 -4.742 0.307
203 HA HIS 30 HA HIS 30 1.749 -3.763 2.316
204 HB2 HIS 30 1HB HIS 30 4.756 -3.905 2.600
205 HB3 HIS 30 2HB HIS 30 3.664 -3.146 3.743
206 HD1 HIS 30 HD1 HIS 30 4.874 -6.470 2.595
207 HD2 HIS 30 HD2 HIS 30 1.965 -4.977 5.176
208 HE1 HIS 30 HE1 HIS 30 4.082 -8.430 3.991
209 H CYS 31 H CYS 31 1.292 -1.643 2.236
210 HA CYS 31 HA CYS 31 1.917 -0.049 0.052
211 HB2 CYS 31 2HB CYS 31 1.037 0.619 2.845
212 HB3 CYS 31 1HB CYS 31 1.305 1.882 1.661
213 H LYS 32 H LYS 32 3.823 0.663 -0.615
214 HA LYS 32 HA LYS 32 5.732 1.631 1.416
215 HB2 LYS 32 1HB LYS 32 6.559 -0.476 0.531
216 HB3 LYS 32 2HB LYS 32 6.340 0.092 -1.095
217 HG2 LYS 32 1HG LYS 32 8.699 0.308 -0.463
218 HG3 LYS 32 2HG LYS 32 8.008 1.906 -0.662
219 HD2 LYS 32 1HD LYS 32 7.831 2.259 1.680
220 HD3 LYS 32 2HD LYS 32 8.078 0.544 2.029
221 HE2 LYS 32 1HE LYS 32 10.383 0.716 1.216
222 HE3 LYS 32 2HE LYS 32 10.127 2.410 0.795
223 HZ1 LYS 32 3HZ LYS 32 11.159 2.406 2.889
224 HZ2 LYS 32 1HZ LYS 32 10.153 1.180 3.489
225 HZ3 LYS 32 2HZ LYS 32 9.522 2.732 3.203
226 H LYS 33 H LYS 33 6.302 3.694 1.161
227 HA LYS 33 HA LYS 33 5.310 5.271 -0.972
228 HB2 LYS 33 1HB LYS 33 5.749 6.184 1.274
229 HB3 LYS 33 2HB LYS 33 7.472 5.935 1.030
230 HG2 LYS 33 1HG LYS 33 7.536 7.523 -0.765
231 HG3 LYS 33 2HG LYS 33 5.775 7.607 -0.835
232 HD2 LYS 33 1HD LYS 33 6.932 8.228 1.812
233 HD3 LYS 33 2HD LYS 33 7.341 9.381 0.542
234 HE2 LYS 33 1HE LYS 33 4.500 8.449 0.934
235 HE3 LYS 33 2HE LYS 33 5.156 9.790 1.873
236 HZ1 LYS 33 3HZ LYS 33 5.733 10.903 -0.194
237 HZ2 LYS 33 1HZ LYS 33 4.071 10.576 -0.130
238 HZ3 LYS 33 2HZ LYS 33 5.088 9.613 -1.090
239 H TYR 34 H TYR 34 6.218 5.908 -2.859
240 HA TYR 34 HA TYR 34 9.063 5.593 -3.326
241 HB2 TYR 34 2HB TYR 34 8.908 4.093 -5.120
242 HB3 TYR 34 1HB TYR 34 7.889 3.409 -3.885
243 HD1 TYR 34 1HD TYR 34 8.032 4.037 -7.275
244 HD2 TYR 34 2HD TYR 34 5.357 4.544 -3.948
245 HE1 TYR 34 1HE TYR 34 6.103 4.141 -8.822
246 HE2 TYR 34 2HE TYR 34 3.444 4.629 -5.492
247 HH TYR 34 HH TYR 34 3.158 3.591 -8.137
248 H LYS 35 H LYS 35 9.401 6.137 -5.839
249 HA LYS 35 HA LYS 35 7.912 8.610 -6.277
250 HB2 LYS 35 1HB LYS 35 10.688 7.959 -7.173
251 HB3 LYS 35 2HB LYS 35 9.849 9.487 -7.405
252 HG2 LYS 35 1HG LYS 35 10.932 10.021 -5.445
253 HG3 LYS 35 2HG LYS 35 9.510 9.251 -4.751
254 HD2 LYS 35 1HD LYS 35 11.409 8.245 -3.682
255 HD3 LYS 35 2HD LYS 35 10.786 7.041 -4.811
256 HE2 LYS 35 1HE LYS 35 12.662 8.738 -6.195
257 HE3 LYS 35 2HE LYS 35 13.406 8.145 -4.714
258 HZ1 LYS 35 3HZ LYS 35 13.787 6.555 -6.411
259 HZ2 LYS 35 1HZ LYS 35 12.155 6.543 -6.871
260 HZ3 LYS 35 2HZ LYS 35 12.616 5.895 -5.370
261 HA PRO 36 HA PRO 36 6.678 6.174 -9.918
262 HB2 PRO 36 2HB PRO 36 4.492 7.682 -10.542
263 HB3 PRO 36 1HB PRO 36 4.480 6.456 -9.260
264 HG2 PRO 36 2HG PRO 36 4.680 9.412 -9.056
265 HG3 PRO 36 1HG PRO 36 3.852 8.256 -7.999
266 HD2 PRO 36 2HD PRO 36 6.289 9.406 -7.467
267 HD3 PRO 36 1HD PRO 36 5.726 7.873 -6.747
268 H TYR 37 H TYR 37 6.724 6.534 -12.178
269 HA TYR 37 HA TYR 37 7.576 9.223 -13.048
270 HB2 TYR 37 2HB TYR 37 8.864 6.609 -13.864
271 HB3 TYR 37 1HB TYR 37 9.269 8.202 -14.505
272 HD1 TYR 37 1HD TYR 37 9.535 5.941 -11.631
273 HD2 TYR 37 2HD TYR 37 10.365 9.898 -13.085
274 HE1 TYR 37 1HE TYR 37 11.075 6.316 -9.730
275 HE2 TYR 37 2HE TYR 37 11.910 10.273 -11.182
276 HH TYR 37 HH TYR 37 12.744 9.442 -9.301
277 H VAL 38 H VAL 38 7.548 9.350 -15.514
278 HA VAL 38 HA VAL 38 5.363 7.717 -16.642
279 HB VAL 38 HB VAL 38 4.368 9.828 -15.961
280 HG11 VAL 38 1HG1 VAL 38 6.919 10.851 -16.800
281 HG12 VAL 38 2HG1 VAL 38 5.626 11.693 -15.948
282 HG13 VAL 38 3HG1 VAL 38 5.648 11.667 -17.710
283 HG21 VAL 38 3HG2 VAL 38 4.170 8.701 -18.428
284 HG22 VAL 38 1HG2 VAL 38 4.697 10.327 -18.869
285 HG23 VAL 38 2HG2 VAL 38 3.224 10.103 -17.924
286 HA PRO 39 HA PRO 39 9.169 7.840 -19.344
287 HB2 PRO 39 2HB PRO 39 8.223 5.062 -19.825
288 HB3 PRO 39 1HB PRO 39 9.854 5.652 -19.453
289 HG2 PRO 39 2HG PRO 39 8.424 4.350 -17.636
290 HG3 PRO 39 1HG PRO 39 9.460 5.719 -17.185
291 HD2 PRO 39 2HD PRO 39 6.470 5.650 -17.511
292 HD3 PRO 39 1HD PRO 39 7.460 6.487 -16.299
293 H VAL 40 H VAL 40 9.217 8.014 -21.598
294 HA VAL 40 HA VAL 40 6.578 7.900 -22.928
295 HB VAL 40 HB VAL 40 9.027 9.539 -23.618
296 HG11 VAL 40 1HG1 VAL 40 7.832 9.028 -25.639
297 HG12 VAL 40 2HG1 VAL 40 7.360 10.663 -25.173
298 HG13 VAL 40 3HG1 VAL 40 6.275 9.310 -24.859
299 HG21 VAL 40 3HG2 VAL 40 7.650 11.441 -22.886
300 HG22 VAL 40 1HG2 VAL 40 7.832 10.282 -21.570
301 HG23 VAL 40 2HG2 VAL 40 6.328 10.345 -22.487
302 H THR 41 H THR 41 6.293 6.350 -24.381
303 HA THR 41 HA THR 41 8.412 5.581 -26.198
304 HB THR 41 HB THR 41 8.855 4.191 -24.169
305 HG1 THR 41 1HG THR 41 8.393 2.131 -25.521
306 HG21 THR 41 3HG2 THR 41 6.128 4.041 -23.984
307 HG22 THR 41 1HG2 THR 41 7.242 2.947 -23.165
308 HG23 THR 41 2HG2 THR 41 6.516 2.477 -24.702
309 H THR 42 H THR 42 7.640 4.071 -27.859
310 HA THR 42 HA THR 42 5.047 4.777 -28.781
311 HB THR 42 HB THR 42 6.244 4.230 -30.623
312 HG1 THR 42 1HG THR 42 5.477 1.670 -29.680
313 HG21 THR 42 3HG2 THR 42 8.337 3.909 -29.541
314 HG22 THR 42 1HG2 THR 42 8.087 2.454 -30.504
315 HG23 THR 42 2HG2 THR 42 7.793 2.421 -28.765
Start of MODEL 16
1 HA ASP 1 HA ASP 1 -10.959 2.777 6.483
2 HB2 ASP 1 1HB ASP 1 -11.752 5.320 6.287
3 HB3 ASP 1 2HB ASP 1 -11.268 5.084 4.609
4 H CYS 2 H CYS 2 -8.025 3.115 5.802
5 HA CYS 2 HA CYS 2 -8.108 1.650 3.311
6 HB2 CYS 2 2HB CYS 2 -6.409 3.254 2.270
7 HB3 CYS 2 1HB CYS 2 -8.090 3.765 2.264
8 H ALA 3 H ALA 3 -5.867 0.997 2.622
9 HA ALA 3 HA ALA 3 -4.432 0.040 4.923
10 HB1 ALA 3 3HB ALA 3 -3.726 -1.508 3.451
11 HB2 ALA 3 1HB ALA 3 -2.977 -0.268 2.451
12 HB3 ALA 3 2HB ALA 3 -4.670 -0.690 2.209
13 H LYS 4 H LYS 4 -3.278 1.477 6.055
14 HA LYS 4 HA LYS 4 -2.001 3.778 4.940
15 HB2 LYS 4 1HB LYS 4 -1.827 2.406 7.625
16 HB3 LYS 4 2HB LYS 4 -0.892 3.847 7.226
17 HG2 LYS 4 1HG LYS 4 -2.870 5.143 6.858
18 HG3 LYS 4 2HG LYS 4 -3.894 3.710 6.893
19 HD2 LYS 4 1HD LYS 4 -4.138 4.812 9.023
20 HD3 LYS 4 2HD LYS 4 -3.175 3.360 9.287
21 HE2 LYS 4 1HE LYS 4 -1.129 4.644 9.359
22 HE3 LYS 4 2HE LYS 4 -1.972 6.109 8.852
23 HZ1 LYS 4 3HZ LYS 4 -3.062 4.815 11.197
24 HZ2 LYS 4 1HZ LYS 4 -2.758 6.458 10.904
25 HZ3 LYS 4 2HZ LYS 4 -1.494 5.437 11.398
26 H GLU 5 H GLU 5 0.469 4.044 5.711
27 HA GLU 5 HA GLU 5 2.014 2.515 3.957
28 HB2 GLU 5 1HB GLU 5 2.738 4.693 4.795
29 HB3 GLU 5 2HB GLU 5 2.895 4.031 6.422
30 HG2 GLU 5 1HG GLU 5 4.659 2.540 5.718
31 HG3 GLU 5 2HG GLU 5 4.417 2.970 4.029
32 H GLY 6 H GLY 6 2.865 0.557 4.052
33 HA2 GLY 6 1HA GLY 6 3.933 -1.290 5.008
34 HA3 GLY 6 2HA GLY 6 3.515 -0.702 6.599
35 H GLU 7 H GLU 7 0.706 -0.368 5.045
36 HA GLU 7 HA GLU 7 -0.348 -2.827 6.182
37 HB2 GLU 7 1HB GLU 7 -1.792 -0.608 4.713
38 HB3 GLU 7 2HB GLU 7 -2.539 -1.899 5.651
39 HG2 GLU 7 1HG GLU 7 -0.594 0.135 6.777
40 HG3 GLU 7 2HG GLU 7 -2.346 0.225 6.942
41 H VAL 8 H VAL 8 -1.544 -4.388 5.044
42 HA VAL 8 HA VAL 8 -0.479 -5.025 2.477
43 HB VAL 8 HB VAL 8 -2.701 -6.286 4.085
44 HG11 VAL 8 1HG1 VAL 8 -1.403 -7.068 1.467
45 HG12 VAL 8 2HG1 VAL 8 -3.122 -6.869 1.807
46 HG13 VAL 8 3HG1 VAL 8 -2.240 -8.235 2.490
47 HG21 VAL 8 3HG2 VAL 8 -0.510 -6.494 5.131
48 HG22 VAL 8 1HG2 VAL 8 0.208 -7.004 3.603
49 HG23 VAL 8 2HG2 VAL 8 -0.949 -8.050 4.426
50 H CYS 9 H CYS 9 -1.270 -4.707 0.484
51 HA CYS 9 HA CYS 9 -4.053 -3.730 0.241
52 HB2 CYS 9 2HB CYS 9 -3.473 -1.737 -0.617
53 HB3 CYS 9 1HB CYS 9 -1.863 -2.050 0.026
54 H SER 10 H SER 10 -4.677 -3.658 -2.169
55 HA SER 10 HA SER 10 -4.886 -4.687 -4.226
56 HB2 SER 10 1HB SER 10 -2.221 -4.784 -3.852
57 HB3 SER 10 2HB SER 10 -2.586 -6.503 -3.866
58 HG SER 10 HG SER 10 -2.848 -4.569 -5.864
59 H TRP 11 H TRP 11 -4.048 -6.622 -1.422
60 HA TRP 11 HA TRP 11 -5.171 -9.067 -2.384
61 HB2 TRP 11 2HB TRP 11 -3.841 -8.146 -0.014
62 HB3 TRP 11 1HB TRP 11 -5.284 -9.041 0.444
63 HD1 TRP 11 1HD TRP 11 -1.837 -9.705 -0.056
64 HE1 TRP 11 1HE TRP 11 -1.396 -12.121 -0.843
65 HE3 TRP 11 3HE TRP 11 -6.527 -10.988 -1.575
66 HZ2 TRP 11 2HZ TRP 11 -2.852 -14.314 -1.977
67 HZ3 TRP 11 3HZ TRP 11 -6.979 -13.247 -2.507
68 HH2 TRP 11 2HH TRP 11 -5.148 -14.908 -2.710
69 H GLY 12 H GLY 12 -6.786 -6.493 -2.430
70 HA2 GLY 12 1HA GLY 12 -9.239 -6.770 -2.620
71 HA3 GLY 12 2HA GLY 12 -9.185 -7.544 -1.043
72 H LYS 13 H LYS 13 -6.930 -5.166 -0.931
73 HA LYS 13 HA LYS 13 -8.847 -3.106 -0.017
74 HB2 LYS 13 1HB LYS 13 -6.281 -3.940 1.351
75 HB3 LYS 13 2HB LYS 13 -7.302 -2.589 1.843
76 HG2 LYS 13 1HG LYS 13 -9.213 -4.243 2.053
77 HG3 LYS 13 2HG LYS 13 -8.031 -5.529 1.827
78 HD2 LYS 13 1HD LYS 13 -7.802 -3.424 3.993
79 HD3 LYS 13 2HD LYS 13 -8.565 -4.991 4.244
80 HE2 LYS 13 1HE LYS 13 -6.408 -6.066 3.473
81 HE3 LYS 13 2HE LYS 13 -5.676 -4.462 3.500
82 HZ1 LYS 13 3HZ LYS 13 -6.813 -5.971 5.774
83 HZ2 LYS 13 1HZ LYS 13 -6.471 -4.312 5.859
84 HZ3 LYS 13 2HZ LYS 13 -5.218 -5.423 5.574
85 H LYS 14 H LYS 14 -8.196 -0.962 -0.279
86 HA LYS 14 HA LYS 14 -5.967 -0.583 -2.186
87 HB2 LYS 14 1HB LYS 14 -8.400 1.134 -1.622
88 HB3 LYS 14 2HB LYS 14 -7.128 1.524 -2.779
89 HG2 LYS 14 1HG LYS 14 -7.614 -0.550 -4.024
90 HG3 LYS 14 2HG LYS 14 -8.889 -0.943 -2.870
91 HD2 LYS 14 1HD LYS 14 -10.079 1.136 -3.471
92 HD3 LYS 14 2HD LYS 14 -8.810 1.524 -4.634
93 HE2 LYS 14 1HE LYS 14 -9.308 -0.548 -5.877
94 HE3 LYS 14 2HE LYS 14 -10.572 -0.945 -4.715
95 HZ1 LYS 14 3HZ LYS 14 -10.497 1.269 -6.666
96 HZ2 LYS 14 1HZ LYS 14 -11.513 1.333 -5.311
97 HZ3 LYS 14 2HZ LYS 14 -11.696 0.086 -6.448
98 H CYS 15 H CYS 15 -4.300 0.671 -1.689
99 HA CYS 15 HA CYS 15 -3.780 1.396 0.991
100 HB2 CYS 15 2HB CYS 15 -2.157 0.940 -1.000
101 HB3 CYS 15 1HB CYS 15 -2.388 2.650 -1.343
102 H CYS 16 H CYS 16 -3.492 3.524 1.864
103 HA CYS 16 HA CYS 16 -5.651 5.261 1.440
104 HB2 CYS 16 2HB CYS 16 -2.976 5.685 2.784
105 HB3 CYS 16 1HB CYS 16 -4.295 6.851 2.849
106 H ASP 17 H ASP 17 -2.331 5.361 0.260
107 HA ASP 17 HA ASP 17 -3.180 7.386 -1.716
108 HB2 ASP 17 1HB ASP 17 -0.706 7.417 0.009
109 HB3 ASP 17 2HB ASP 17 -0.826 8.345 -1.485
110 H LEU 18 H LEU 18 -3.395 5.609 -3.182
111 HA LEU 18 HA LEU 18 -1.257 3.832 -3.791
112 HB2 LEU 18 1HB LEU 18 -3.759 4.651 -5.258
113 HB3 LEU 18 2HB LEU 18 -2.618 3.498 -5.940
114 HG LEU 18 HG LEU 18 -3.773 3.165 -3.160
115 HD11 LEU 18 1HD1 LEU 18 -5.111 1.342 -4.691
116 HD12 LEU 18 2HD1 LEU 18 -5.019 2.713 -5.800
117 HD13 LEU 18 3HD1 LEU 18 -5.772 2.907 -4.216
118 HD21 LEU 18 3HD2 LEU 18 -3.324 0.689 -3.934
119 HD22 LEU 18 1HD2 LEU 18 -1.971 1.670 -3.388
120 HD23 LEU 18 2HD2 LEU 18 -2.248 1.434 -5.108
121 H ASP 19 H ASP 19 -1.794 7.107 -4.500
122 HA ASP 19 HA ASP 19 -0.352 7.194 -6.992
123 HB2 ASP 19 1HB ASP 19 -1.132 9.390 -5.063
124 HB3 ASP 19 2HB ASP 19 -0.473 9.645 -6.679
125 H ASN 20 H ASN 20 0.418 7.572 -3.585
126 HA ASN 20 HA ASN 20 3.217 8.189 -4.304
127 HB2 ASN 20 1HB ASN 20 1.772 8.574 -1.678
128 HB3 ASN 20 2HB ASN 20 3.449 8.981 -1.984
129 HD21 ASN 20 1HD2 ASN 20 0.814 11.759 -2.655
130 HD22 ASN 20 2HD2 ASN 20 0.743 10.534 -1.491
131 H PHE 21 H PHE 21 1.183 5.715 -3.223
132 HA PHE 21 HA PHE 21 3.501 4.173 -2.241
133 HB2 PHE 21 2HB PHE 21 0.659 4.091 -1.228
134 HB3 PHE 21 1HB PHE 21 1.903 2.927 -0.788
135 HD1 PHE 21 1HD PHE 21 1.293 6.609 -0.896
136 HD2 PHE 21 2HD PHE 21 3.293 3.362 1.059
137 HE1 PHE 21 1HE PHE 21 2.064 8.160 0.872
138 HE2 PHE 21 2HE PHE 21 4.082 4.915 2.821
139 HZ PHE 21 HZ PHE 21 3.468 7.312 2.733
140 H TYR 22 H TYR 22 3.382 1.872 -2.585
141 HA TYR 22 HA TYR 22 1.525 1.023 -4.703
142 HB2 TYR 22 2HB TYR 22 3.335 0.042 -5.987
143 HB3 TYR 22 1HB TYR 22 3.661 1.759 -5.756
144 HD1 TYR 22 1HD TYR 22 4.511 -1.651 -4.533
145 HD2 TYR 22 2HD TYR 22 5.543 2.515 -4.564
146 HE1 TYR 22 1HE TYR 22 6.701 -2.182 -3.652
147 HE2 TYR 22 2HE TYR 22 7.734 1.966 -3.624
148 HH TYR 22 HH TYR 22 8.996 0.344 -2.683
149 H CYS 23 H CYS 23 1.586 -1.352 -5.037
150 HA CYS 23 HA CYS 23 1.923 -2.696 -2.456
151 HB2 CYS 23 2HB CYS 23 -0.096 -2.805 -4.456
152 HB3 CYS 23 1HB CYS 23 0.641 -4.405 -4.308
153 HA PRO 24 HA PRO 24 5.752 -4.360 -4.365
154 HB2 PRO 24 2HB PRO 24 5.500 -6.097 -1.943
155 HB3 PRO 24 1HB PRO 24 6.908 -5.218 -2.554
156 HG2 PRO 24 2HG PRO 24 5.581 -4.324 -0.474
157 HG3 PRO 24 1HG PRO 24 6.213 -3.222 -1.687
158 HD2 PRO 24 2HD PRO 24 3.399 -4.096 -1.230
159 HD3 PRO 24 1HD PRO 24 4.029 -2.536 -1.779
160 H MET 25 H MET 25 6.231 -6.214 -5.520
161 HA MET 25 HA MET 25 4.007 -8.027 -6.008
162 HB2 MET 25 1HB MET 25 5.564 -7.006 -7.793
163 HB3 MET 25 2HB MET 25 6.735 -8.220 -7.273
164 HG2 MET 25 1HG MET 25 5.510 -9.171 -9.112
165 HG3 MET 25 2HG MET 25 4.940 -9.968 -7.648
166 HE1 MET 25 3HE MET 25 1.821 -9.813 -9.911
167 HE2 MET 25 1HE MET 25 2.508 -10.758 -8.583
168 HE3 MET 25 2HE MET 25 3.485 -10.385 -10.002
169 H GLU 26 H GLU 26 4.299 -8.772 -3.655
170 HA GLU 26 HA GLU 26 6.006 -11.165 -3.680
171 HB2 GLU 26 1HB GLU 26 5.705 -9.225 -1.374
172 HB3 GLU 26 2HB GLU 26 6.528 -10.785 -1.292
173 HG2 GLU 26 1HG GLU 26 8.098 -10.049 -3.049
174 HG3 GLU 26 2HG GLU 26 7.285 -8.487 -3.119
175 H PHE 27 H PHE 27 5.355 -12.443 -1.541
176 HA PHE 27 HA PHE 27 2.760 -13.428 -1.959
177 HB2 PHE 27 2HB PHE 27 4.551 -14.750 -0.892
178 HB3 PHE 27 1HB PHE 27 4.476 -13.697 0.520
179 HD1 PHE 27 1HD PHE 27 2.318 -15.866 -1.628
180 HD2 PHE 27 2HD PHE 27 2.986 -14.194 2.272
181 HE1 PHE 27 1HE PHE 27 0.447 -17.221 -0.730
182 HE2 PHE 27 2HE PHE 27 1.110 -15.550 3.171
183 HZ PHE 27 HZ PHE 27 -0.157 -17.063 1.670
184 H ILE 28 H ILE 28 4.031 -11.212 0.507
185 HA ILE 28 HA ILE 28 1.249 -10.410 1.117
186 HB ILE 28 HB ILE 28 2.242 -9.865 3.435
187 HG12 ILE 28 1HG1 ILE 28 4.207 -11.996 2.539
188 HG13 ILE 28 2HG1 ILE 28 4.610 -10.283 2.633
189 HG21 ILE 28 1HG2 ILE 28 0.697 -11.549 3.586
190 HG22 ILE 28 2HG2 ILE 28 2.129 -12.537 3.866
191 HG23 ILE 28 3HG2 ILE 28 1.410 -12.461 2.259
192 HD11 ILE 28 3HD1 ILE 28 4.997 -10.476 4.840
193 HD12 ILE 28 1HD1 ILE 28 4.645 -12.199 4.736
194 HD13 ILE 28 2HD1 ILE 28 3.353 -11.057 5.096
195 HA PRO 29 HA PRO 29 3.653 -6.748 -0.511
196 HB2 PRO 29 2HB PRO 29 0.851 -6.009 -1.180
197 HB3 PRO 29 1HB PRO 29 2.306 -5.919 -2.187
198 HG2 PRO 29 2HG PRO 29 0.458 -7.784 -2.585
199 HG3 PRO 29 1HG PRO 29 2.182 -8.160 -2.767
200 HD2 PRO 29 2HD PRO 29 0.327 -8.864 -0.522
201 HD3 PRO 29 1HD PRO 29 1.666 -9.800 -1.218
202 H HIS 30 H HIS 30 3.761 -4.670 0.361
203 HA HIS 30 HA HIS 30 1.673 -3.898 2.283
204 HB2 HIS 30 1HB HIS 30 4.636 -3.913 2.898
205 HB3 HIS 30 2HB HIS 30 3.390 -3.179 3.898
206 HD1 HIS 30 HD1 HIS 30 4.997 -6.406 3.216
207 HD2 HIS 30 HD2 HIS 30 1.402 -5.093 4.865
208 HE1 HIS 30 HE1 HIS 30 4.025 -8.379 4.474
209 H CYS 31 H CYS 31 1.194 -1.749 2.267
210 HA CYS 31 HA CYS 31 1.714 -0.118 0.141
211 HB2 CYS 31 2HB CYS 31 1.160 0.543 3.023
212 HB3 CYS 31 1HB CYS 31 1.349 1.812 1.822
213 H LYS 32 H LYS 32 3.538 0.641 -0.695
214 HA LYS 32 HA LYS 32 5.685 1.515 1.126
215 HB2 LYS 32 1HB LYS 32 6.254 -0.729 0.278
216 HB3 LYS 32 2HB LYS 32 6.035 -0.161 -1.364
217 HG2 LYS 32 1HG LYS 32 8.424 -0.181 -0.737
218 HG3 LYS 32 2HG LYS 32 7.876 1.448 -1.089
219 HD2 LYS 32 1HD LYS 32 7.913 2.098 1.157
220 HD3 LYS 32 2HD LYS 32 7.771 0.441 1.744
221 HE2 LYS 32 1HE LYS 32 10.048 1.326 2.105
222 HE3 LYS 32 2HE LYS 32 10.068 -0.026 0.973
223 HZ1 LYS 32 3HZ LYS 32 9.742 1.958 -0.725
224 HZ2 LYS 32 1HZ LYS 32 11.279 1.448 -0.217
225 HZ3 LYS 32 2HZ LYS 32 10.559 2.810 0.498
226 H LYS 33 H LYS 33 6.662 3.389 0.558
227 HA LYS 33 HA LYS 33 5.509 4.979 -1.498
228 HB2 LYS 33 1HB LYS 33 7.371 5.345 0.690
229 HB3 LYS 33 2HB LYS 33 7.907 6.195 -0.761
230 HG2 LYS 33 1HG LYS 33 5.877 7.434 -0.913
231 HG3 LYS 33 2HG LYS 33 5.064 6.389 0.252
232 HD2 LYS 33 1HD LYS 33 6.373 7.225 2.064
233 HD3 LYS 33 2HD LYS 33 7.479 8.053 0.972
234 HE2 LYS 33 1HE LYS 33 5.747 9.600 0.289
235 HE3 LYS 33 2HE LYS 33 4.529 8.704 1.196
236 HZ1 LYS 33 3HZ LYS 33 5.150 10.507 2.548
237 HZ2 LYS 33 1HZ LYS 33 6.805 10.282 2.251
238 HZ3 LYS 33 2HZ LYS 33 5.956 9.164 3.209
239 H TYR 34 H TYR 34 6.138 5.401 -3.532
240 HA TYR 34 HA TYR 34 7.686 3.645 -5.005
241 HB2 TYR 34 2HB TYR 34 7.175 6.553 -5.506
242 HB3 TYR 34 1HB TYR 34 7.868 5.458 -6.693
243 HD1 TYR 34 1HD TYR 34 4.835 6.413 -4.859
244 HD2 TYR 34 2HD TYR 34 6.543 3.608 -7.625
245 HE1 TYR 34 1HE TYR 34 2.572 5.629 -5.457
246 HE2 TYR 34 2HE TYR 34 4.270 2.824 -8.230
247 HH TYR 34 HH TYR 34 2.036 3.410 -8.121
248 H LYS 35 H LYS 35 8.936 6.860 -5.131
249 HA LYS 35 HA LYS 35 11.557 5.904 -4.151
250 HB2 LYS 35 1HB LYS 35 10.962 7.706 -6.500
251 HB3 LYS 35 2HB LYS 35 12.571 7.355 -5.875
252 HG2 LYS 35 1HG LYS 35 12.563 5.187 -6.645
253 HG3 LYS 35 2HG LYS 35 10.819 5.023 -6.484
254 HD2 LYS 35 1HD LYS 35 11.444 5.066 -8.849
255 HD3 LYS 35 2HD LYS 35 10.503 6.504 -8.439
256 HE2 LYS 35 1HE LYS 35 12.551 7.826 -8.255
257 HE3 LYS 35 2HE LYS 35 13.536 6.393 -8.544
258 HZ1 LYS 35 3HZ LYS 35 13.308 6.691 -10.709
259 HZ2 LYS 35 1HZ LYS 35 12.426 8.112 -10.428
260 HZ3 LYS 35 2HZ LYS 35 11.615 6.627 -10.581
261 HA PRO 36 HA PRO 36 10.398 9.762 -1.865
262 HB2 PRO 36 2HB PRO 36 10.964 8.878 0.630
263 HB3 PRO 36 1HB PRO 36 9.421 8.553 -0.177
264 HG2 PRO 36 2HG PRO 36 11.758 6.768 0.221
265 HG3 PRO 36 1HG PRO 36 10.030 6.391 0.259
266 HD2 PRO 36 2HD PRO 36 11.708 5.898 -1.893
267 HD3 PRO 36 1HD PRO 36 9.939 6.032 -2.007
268 H TYR 37 H TYR 37 11.786 11.385 -1.329
269 HA TYR 37 HA TYR 37 13.759 12.520 -0.995
270 HB2 TYR 37 2HB TYR 37 15.112 10.055 0.002
271 HB3 TYR 37 1HB TYR 37 15.155 11.696 0.644
272 HD1 TYR 37 1HD TYR 37 14.461 8.823 1.926
273 HD2 TYR 37 2HD TYR 37 12.171 12.245 0.691
274 HE1 TYR 37 1HE TYR 37 12.666 8.206 3.521
275 HE2 TYR 37 2HE TYR 37 10.383 11.621 2.273
276 HH TYR 37 HH TYR 37 10.056 10.342 4.265
277 H VAL 38 H VAL 38 13.379 11.697 -3.551
278 HA VAL 38 HA VAL 38 15.474 10.099 -4.575
279 HB VAL 38 HB VAL 38 14.812 11.162 -6.789
280 HG11 VAL 38 1HG1 VAL 38 12.228 10.320 -6.068
281 HG12 VAL 38 2HG1 VAL 38 13.318 9.432 -5.003
282 HG13 VAL 38 3HG1 VAL 38 13.515 9.323 -6.748
283 HG21 VAL 38 3HG2 VAL 38 12.323 12.221 -5.754
284 HG22 VAL 38 1HG2 VAL 38 13.512 13.006 -6.794
285 HG23 VAL 38 2HG2 VAL 38 13.692 13.077 -5.042
286 HA PRO 39 HA PRO 39 19.052 12.726 -4.673
287 HB2 PRO 39 2HB PRO 39 19.134 12.224 -7.624
288 HB3 PRO 39 1HB PRO 39 20.422 12.054 -6.415
289 HG2 PRO 39 2HG PRO 39 19.167 9.937 -7.417
290 HG3 PRO 39 1HG PRO 39 19.688 9.996 -5.725
291 HD2 PRO 39 2HD PRO 39 16.938 10.187 -6.850
292 HD3 PRO 39 1HD PRO 39 17.493 9.603 -5.265
293 H VAL 40 H VAL 40 19.406 14.894 -4.937
294 HA VAL 40 HA VAL 40 18.875 17.092 -5.388
295 HB VAL 40 HB VAL 40 18.532 15.973 -8.180
296 HG11 VAL 40 1HG1 VAL 40 18.160 18.115 -8.761
297 HG12 VAL 40 2HG1 VAL 40 19.740 18.546 -8.105
298 HG13 VAL 40 3HG1 VAL 40 18.310 18.617 -7.077
299 HG21 VAL 40 3HG2 VAL 40 20.982 16.762 -8.321
300 HG22 VAL 40 1HG2 VAL 40 20.677 15.267 -7.437
301 HG23 VAL 40 2HG2 VAL 40 20.955 16.771 -6.558
302 H THR 41 H THR 41 16.929 17.141 -4.175
303 HA THR 41 HA THR 41 14.399 16.365 -5.098
304 HB THR 41 HB THR 41 14.838 16.956 -2.756
305 HG1 THR 41 1HG THR 41 12.892 18.326 -4.235
306 HG21 THR 41 3HG2 THR 41 15.366 19.136 -2.045
307 HG22 THR 41 1HG2 THR 41 14.853 19.856 -3.571
308 HG23 THR 41 2HG2 THR 41 16.353 18.931 -3.492
309 H THR 42 H THR 42 12.748 17.446 -6.153
310 HA THR 42 HA THR 42 13.504 19.267 -8.188
311 HB THR 42 HB THR 42 11.264 19.183 -8.886
312 HG1 THR 42 1HG THR 42 9.639 19.210 -7.530
313 HG21 THR 42 3HG2 THR 42 12.503 16.918 -8.593
314 HG22 THR 42 1HG2 THR 42 10.767 16.886 -8.902
315 HG23 THR 42 2HG2 THR 42 11.377 16.649 -7.265
Start of MODEL 17
1 HA ASP 1 HA ASP 1 -10.776 3.063 5.465
2 HB2 ASP 1 1HB ASP 1 -10.737 0.611 5.698
3 HB3 ASP 1 2HB ASP 1 -12.368 1.238 5.933
4 H CYS 2 H CYS 2 -8.635 2.412 5.068
5 HA CYS 2 HA CYS 2 -7.882 1.384 2.462
6 HB2 CYS 2 2HB CYS 2 -6.439 3.292 1.901
7 HB3 CYS 2 1HB CYS 2 -8.131 3.781 1.985
8 H ALA 3 H ALA 3 -5.485 1.106 2.303
9 HA ALA 3 HA ALA 3 -4.432 0.344 4.940
10 HB1 ALA 3 3HB ALA 3 -2.690 -0.506 2.881
11 HB2 ALA 3 1HB ALA 3 -4.331 -0.810 2.310
12 HB3 ALA 3 2HB ALA 3 -3.788 -1.497 3.840
13 H LYS 4 H LYS 4 -2.730 1.320 5.840
14 HA LYS 4 HA LYS 4 -1.545 3.611 4.453
15 HB2 LYS 4 1HB LYS 4 -1.338 2.715 7.338
16 HB3 LYS 4 2HB LYS 4 -0.641 4.193 6.677
17 HG2 LYS 4 1HG LYS 4 -2.902 4.949 6.005
18 HG3 LYS 4 2HG LYS 4 -3.589 3.489 6.720
19 HD2 LYS 4 1HD LYS 4 -2.618 4.137 8.917
20 HD3 LYS 4 2HD LYS 4 -2.026 5.632 8.191
21 HE2 LYS 4 1HE LYS 4 -4.936 4.785 8.316
22 HE3 LYS 4 2HE LYS 4 -4.178 5.986 9.362
23 HZ1 LYS 4 3HZ LYS 4 -5.073 7.277 7.703
24 HZ2 LYS 4 1HZ LYS 4 -4.763 6.139 6.484
25 HZ3 LYS 4 2HZ LYS 4 -3.487 7.056 7.131
26 H GLU 5 H GLU 5 0.892 3.807 5.704
27 HA GLU 5 HA GLU 5 2.508 2.116 4.139
28 HB2 GLU 5 1HB GLU 5 3.239 4.327 4.929
29 HB3 GLU 5 2HB GLU 5 3.285 3.710 6.584
30 HG2 GLU 5 1HG GLU 5 4.999 2.086 5.974
31 HG3 GLU 5 2HG GLU 5 4.894 2.566 4.280
32 H GLY 6 H GLY 6 3.204 0.125 4.397
33 HA2 GLY 6 1HA GLY 6 4.043 -1.740 5.539
34 HA3 GLY 6 2HA GLY 6 3.600 -0.991 7.060
35 H GLU 7 H GLU 7 0.901 -0.565 5.340
36 HA GLU 7 HA GLU 7 -0.391 -2.878 6.546
37 HB2 GLU 7 1HB GLU 7 -1.567 -0.570 4.979
38 HB3 GLU 7 2HB GLU 7 -2.482 -1.786 5.872
39 HG2 GLU 7 1HG GLU 7 -0.429 0.070 7.111
40 HG3 GLU 7 2HG GLU 7 -2.171 0.324 7.172
41 H VAL 8 H VAL 8 -1.536 -4.447 5.441
42 HA VAL 8 HA VAL 8 -0.453 -5.349 3.019
43 HB VAL 8 HB VAL 8 -3.034 -6.084 4.398
44 HG11 VAL 8 1HG1 VAL 8 -3.457 -6.910 2.283
45 HG12 VAL 8 2HG1 VAL 8 -2.486 -8.239 2.919
46 HG13 VAL 8 3HG1 VAL 8 -1.746 -7.028 1.871
47 HG21 VAL 8 3HG2 VAL 8 -1.803 -7.857 5.362
48 HG22 VAL 8 1HG2 VAL 8 -0.707 -6.480 5.475
49 HG23 VAL 8 2HG2 VAL 8 -0.481 -7.685 4.207
50 H CYS 9 H CYS 9 -1.108 -5.258 0.899
51 HA CYS 9 HA CYS 9 -3.537 -3.688 0.292
52 HB2 CYS 9 2HB CYS 9 -2.295 -2.490 -1.476
53 HB3 CYS 9 1HB CYS 9 -1.646 -2.147 0.129
54 H SER 10 H SER 10 -4.159 -3.921 -2.027
55 HA SER 10 HA SER 10 -4.777 -5.209 -3.813
56 HB2 SER 10 1HB SER 10 -2.062 -6.438 -3.348
57 HB3 SER 10 2HB SER 10 -3.124 -6.900 -4.669
58 HG SER 10 HG SER 10 -3.119 -4.337 -4.770
59 H TRP 11 H TRP 11 -3.723 -6.835 -0.904
60 HA TRP 11 HA TRP 11 -4.969 -9.340 -1.522
61 HB2 TRP 11 2HB TRP 11 -3.192 -8.374 0.430
62 HB3 TRP 11 1HB TRP 11 -4.622 -8.871 1.319
63 HD1 TRP 11 1HD TRP 11 -1.560 -10.232 -0.169
64 HE1 TRP 11 1HE TRP 11 -1.681 -12.805 -0.303
65 HE3 TRP 11 3HE TRP 11 -6.528 -10.916 0.729
66 HZ2 TRP 11 2HZ TRP 11 -3.639 -14.883 -0.057
67 HZ3 TRP 11 3HZ TRP 11 -7.503 -13.198 0.778
68 HH2 TRP 11 2HH TRP 11 -6.065 -15.181 0.385
69 H GLY 12 H GLY 12 -6.762 -7.387 -2.106
70 HA2 GLY 12 1HA GLY 12 -9.109 -7.331 -1.837
71 HA3 GLY 12 2HA GLY 12 -8.922 -7.992 -0.216
72 H LYS 13 H LYS 13 -6.645 -5.644 -0.466
73 HA LYS 13 HA LYS 13 -8.471 -3.507 0.463
74 HB2 LYS 13 1HB LYS 13 -5.786 -4.275 1.628
75 HB3 LYS 13 2HB LYS 13 -6.724 -2.855 2.093
76 HG2 LYS 13 1HG LYS 13 -8.594 -4.308 2.784
77 HG3 LYS 13 2HG LYS 13 -7.658 -5.732 2.324
78 HD2 LYS 13 1HD LYS 13 -5.923 -5.122 3.977
79 HD3 LYS 13 2HD LYS 13 -6.871 -3.710 4.446
80 HE2 LYS 13 1HE LYS 13 -8.729 -5.180 5.137
81 HE3 LYS 13 2HE LYS 13 -7.787 -6.595 4.663
82 HZ1 LYS 13 3HZ LYS 13 -7.149 -6.531 6.802
83 HZ2 LYS 13 1HZ LYS 13 -7.522 -4.887 6.992
84 HZ3 LYS 13 2HZ LYS 13 -6.060 -5.346 6.258
85 H LYS 14 H LYS 14 -7.922 -1.408 -0.109
86 HA LYS 14 HA LYS 14 -5.801 -1.152 -2.157
87 HB2 LYS 14 1HB LYS 14 -8.170 0.669 -1.698
88 HB3 LYS 14 2HB LYS 14 -7.097 0.635 -3.091
89 HG2 LYS 14 1HG LYS 14 -8.919 -1.649 -2.281
90 HG3 LYS 14 2HG LYS 14 -9.301 -0.465 -3.525
91 HD2 LYS 14 1HD LYS 14 -7.165 -1.154 -4.705
92 HD3 LYS 14 2HD LYS 14 -7.033 -2.475 -3.543
93 HE2 LYS 14 1HE LYS 14 -9.252 -3.305 -4.221
94 HE3 LYS 14 2HE LYS 14 -9.380 -1.997 -5.396
95 HZ1 LYS 14 3HZ LYS 14 -8.495 -3.540 -6.751
96 HZ2 LYS 14 1HZ LYS 14 -7.791 -4.427 -5.488
97 HZ3 LYS 14 2HZ LYS 14 -7.026 -3.025 -6.070
98 H CYS 15 H CYS 15 -4.279 0.295 -1.970
99 HA CYS 15 HA CYS 15 -3.650 1.344 0.578
100 HB2 CYS 15 2HB CYS 15 -2.510 1.415 -2.149
101 HB3 CYS 15 1HB CYS 15 -2.034 2.703 -1.063
102 H CYS 16 H CYS 16 -3.666 3.450 1.335
103 HA CYS 16 HA CYS 16 -5.846 5.073 0.512
104 HB2 CYS 16 2HB CYS 16 -4.204 4.859 2.754
105 HB3 CYS 16 1HB CYS 16 -3.873 6.469 2.115
106 H ASP 17 H ASP 17 -2.367 5.797 0.541
107 HA ASP 17 HA ASP 17 -2.811 7.867 -1.492
108 HB2 ASP 17 1HB ASP 17 -0.475 7.222 0.310
109 HB3 ASP 17 2HB ASP 17 -0.378 8.405 -0.994
110 H LEU 18 H LEU 18 -3.273 5.936 -2.962
111 HA LEU 18 HA LEU 18 -1.216 4.213 -3.822
112 HB2 LEU 18 1HB LEU 18 -3.784 5.192 -5.039
113 HB3 LEU 18 2HB LEU 18 -2.681 4.187 -5.976
114 HG LEU 18 HG LEU 18 -3.446 3.324 -3.196
115 HD11 LEU 18 1HD1 LEU 18 -5.386 2.109 -4.119
116 HD12 LEU 18 2HD1 LEU 18 -5.100 2.845 -5.698
117 HD13 LEU 18 3HD1 LEU 18 -5.584 3.849 -4.330
118 HD21 LEU 18 3HD2 LEU 18 -1.736 2.015 -4.327
119 HD22 LEU 18 1HD2 LEU 18 -2.720 1.906 -5.786
120 HD23 LEU 18 2HD2 LEU 18 -3.222 1.070 -4.322
121 H ASP 19 H ASP 19 -1.696 7.559 -4.302
122 HA ASP 19 HA ASP 19 -0.349 7.805 -6.827
123 HB2 ASP 19 1HB ASP 19 -1.054 9.789 -4.661
124 HB3 ASP 19 2HB ASP 19 -0.240 10.246 -6.157
125 H ASN 20 H ASN 20 0.613 8.075 -3.423
126 HA ASN 20 HA ASN 20 3.409 8.466 -4.290
127 HB2 ASN 20 1HB ASN 20 2.149 8.925 -1.580
128 HB3 ASN 20 2HB ASN 20 3.831 9.215 -1.987
129 HD21 ASN 20 1HD2 ASN 20 1.261 12.129 -2.582
130 HD22 ASN 20 2HD2 ASN 20 1.072 10.859 -1.478
131 H PHE 21 H PHE 21 1.295 6.096 -3.269
132 HA PHE 21 HA PHE 21 3.533 4.402 -2.362
133 HB2 PHE 21 2HB PHE 21 0.719 4.432 -1.263
134 HB3 PHE 21 1HB PHE 21 1.929 3.213 -0.885
135 HD1 PHE 21 1HD PHE 21 1.523 6.940 -0.918
136 HD2 PHE 21 2HD PHE 21 3.306 3.529 0.988
137 HE1 PHE 21 1HE PHE 21 2.404 8.406 0.873
138 HE2 PHE 21 2HE PHE 21 4.198 4.997 2.771
139 HZ PHE 21 HZ PHE 21 3.747 7.437 2.717
140 H TYR 22 H TYR 22 3.360 2.177 -2.849
141 HA TYR 22 HA TYR 22 1.377 1.490 -4.929
142 HB2 TYR 22 2HB TYR 22 3.100 0.311 -6.183
143 HB3 TYR 22 1HB TYR 22 3.560 2.000 -5.992
144 HD1 TYR 22 1HD TYR 22 4.177 -1.458 -4.739
145 HD2 TYR 22 2HD TYR 22 5.482 2.633 -4.789
146 HE1 TYR 22 1HE TYR 22 6.339 -2.137 -3.865
147 HE2 TYR 22 2HE TYR 22 7.642 1.940 -3.870
148 HH TYR 22 HH TYR 22 8.892 -0.887 -4.014
149 H CYS 23 H CYS 23 1.344 -0.934 -5.301
150 HA CYS 23 HA CYS 23 1.427 -2.233 -2.689
151 HB2 CYS 23 2HB CYS 23 -0.737 -2.096 -4.004
152 HB3 CYS 23 1HB CYS 23 -0.003 -3.235 -5.131
153 HA PRO 24 HA PRO 24 5.124 -4.176 -4.548
154 HB2 PRO 24 2HB PRO 24 5.090 -5.756 -2.042
155 HB3 PRO 24 1HB PRO 24 6.396 -4.790 -2.747
156 HG2 PRO 24 2HG PRO 24 5.033 -3.995 -0.598
157 HG3 PRO 24 1HG PRO 24 5.657 -2.854 -1.789
158 HD2 PRO 24 2HD PRO 24 2.863 -3.780 -1.340
159 HD3 PRO 24 1HD PRO 24 3.471 -2.211 -1.897
160 H MET 25 H MET 25 5.871 -6.662 -4.329
161 HA MET 25 HA MET 25 3.551 -8.431 -4.681
162 HB2 MET 25 1HB MET 25 4.138 -7.593 -6.927
163 HB3 MET 25 2HB MET 25 5.784 -8.188 -6.706
164 HG2 MET 25 1HG MET 25 4.994 -10.474 -6.516
165 HG3 MET 25 2HG MET 25 3.316 -9.937 -6.543
166 HE1 MET 25 3HE MET 25 6.438 -8.697 -8.906
167 HE2 MET 25 1HE MET 25 6.359 -10.143 -9.920
168 HE3 MET 25 2HE MET 25 6.602 -10.295 -8.184
169 H GLU 26 H GLU 26 4.078 -9.570 -2.814
170 HA GLU 26 HA GLU 26 6.151 -11.550 -3.097
171 HB2 GLU 26 1HB GLU 26 7.368 -9.485 -2.227
172 HB3 GLU 26 2HB GLU 26 6.430 -9.675 -0.745
173 HG2 GLU 26 1HG GLU 26 7.329 -11.945 -0.447
174 HG3 GLU 26 2HG GLU 26 8.226 -11.800 -1.955
175 H PHE 27 H PHE 27 3.618 -12.149 -2.963
176 HA PHE 27 HA PHE 27 2.116 -13.496 -1.874
177 HB2 PHE 27 2HB PHE 27 4.361 -14.433 -0.961
178 HB3 PHE 27 1HB PHE 27 3.927 -13.574 0.513
179 HD1 PHE 27 1HD PHE 27 2.643 -16.057 -1.960
180 HD2 PHE 27 2HD PHE 27 2.359 -14.489 2.029
181 HE1 PHE 27 1HE PHE 27 1.096 -17.895 -1.348
182 HE2 PHE 27 2HE PHE 27 0.811 -16.329 2.642
183 HZ PHE 27 HZ PHE 27 0.178 -18.031 0.952
184 H ILE 28 H ILE 28 3.639 -11.092 0.263
185 HA ILE 28 HA ILE 28 0.952 -10.272 1.134
186 HB ILE 28 HB ILE 28 2.053 -9.846 3.412
187 HG12 ILE 28 1HG1 ILE 28 3.971 -11.952 2.376
188 HG13 ILE 28 2HG1 ILE 28 4.386 -10.243 2.489
189 HG21 ILE 28 1HG2 ILE 28 1.999 -12.564 3.709
190 HG22 ILE 28 2HG2 ILE 28 1.111 -12.371 2.200
191 HG23 ILE 28 3HG2 ILE 28 0.559 -11.549 3.658
192 HD11 ILE 28 3HD1 ILE 28 4.857 -10.477 4.676
193 HD12 ILE 28 1HD1 ILE 28 4.514 -12.200 4.546
194 HD13 ILE 28 2HD1 ILE 28 3.228 -11.078 4.984
195 HA PRO 29 HA PRO 29 3.546 -6.716 -0.507
196 HB2 PRO 29 2HB PRO 29 0.783 -5.970 -1.305
197 HB3 PRO 29 1HB PRO 29 2.287 -5.859 -2.234
198 HG2 PRO 29 2HG PRO 29 0.495 -7.722 -2.766
199 HG3 PRO 29 1HG PRO 29 2.225 -8.124 -2.787
200 HD2 PRO 29 2HD PRO 29 0.168 -8.721 -0.677
201 HD3 PRO 29 1HD PRO 29 1.502 -9.740 -1.269
202 H HIS 30 H HIS 30 3.740 -4.727 0.471
203 HA HIS 30 HA HIS 30 1.551 -3.856 2.240
204 HB2 HIS 30 1HB HIS 30 4.485 -3.833 2.994
205 HB3 HIS 30 2HB HIS 30 3.173 -3.135 3.936
206 HD1 HIS 30 HD1 HIS 30 4.727 -6.405 3.016
207 HD2 HIS 30 HD2 HIS 30 1.419 -5.050 5.163
208 HE1 HIS 30 HE1 HIS 30 3.856 -8.390 4.325
209 H CYS 31 H CYS 31 1.055 -1.739 2.082
210 HA CYS 31 HA CYS 31 1.681 -0.191 -0.060
211 HB2 CYS 31 2HB CYS 31 0.307 0.257 2.311
212 HB3 CYS 31 1HB CYS 31 1.577 1.454 2.327
213 H LYS 32 H LYS 32 3.448 0.733 -0.838
214 HA LYS 32 HA LYS 32 5.592 1.505 1.012
215 HB2 LYS 32 1HB LYS 32 6.157 -0.713 0.107
216 HB3 LYS 32 2HB LYS 32 5.953 -0.100 -1.520
217 HG2 LYS 32 1HG LYS 32 8.328 -0.143 -0.973
218 HG3 LYS 32 2HG LYS 32 7.809 1.526 -1.127
219 HD2 LYS 32 1HD LYS 32 7.737 1.825 1.264
220 HD3 LYS 32 2HD LYS 32 7.946 0.096 1.544
221 HE2 LYS 32 1HE LYS 32 10.205 0.231 0.545
222 HE3 LYS 32 2HE LYS 32 9.974 1.957 0.270
223 HZ1 LYS 32 3HZ LYS 32 11.218 1.421 2.331
224 HZ2 LYS 32 1HZ LYS 32 9.825 0.672 2.943
225 HZ3 LYS 32 2HZ LYS 32 9.814 2.337 2.603
226 H LYS 33 H LYS 33 6.767 3.309 0.408
227 HA LYS 33 HA LYS 33 5.588 5.021 -1.557
228 HB2 LYS 33 1HB LYS 33 8.117 5.283 0.066
229 HB3 LYS 33 2HB LYS 33 7.489 6.539 -0.997
230 HG2 LYS 33 1HG LYS 33 5.317 6.390 0.297
231 HG3 LYS 33 2HG LYS 33 6.166 5.372 1.460
232 HD2 LYS 33 1HD LYS 33 6.466 7.464 2.429
233 HD3 LYS 33 2HD LYS 33 7.913 7.364 1.424
234 HE2 LYS 33 1HE LYS 33 6.773 8.621 -0.366
235 HE3 LYS 33 2HE LYS 33 5.309 8.701 0.615
236 HZ1 LYS 33 3HZ LYS 33 7.653 9.606 2.001
237 HZ2 LYS 33 1HZ LYS 33 6.141 10.354 1.828
238 HZ3 LYS 33 2HZ LYS 33 7.316 10.524 0.612
239 H TYR 34 H TYR 34 6.294 5.584 -3.552
240 HA TYR 34 HA TYR 34 7.693 3.755 -5.135
241 HB2 TYR 34 2HB TYR 34 7.226 6.688 -5.478
242 HB3 TYR 34 1HB TYR 34 7.908 5.670 -6.743
243 HD1 TYR 34 1HD TYR 34 4.918 6.581 -4.861
244 HD2 TYR 34 2HD TYR 34 6.544 3.857 -7.747
245 HE1 TYR 34 1HE TYR 34 2.629 5.880 -5.479
246 HE2 TYR 34 2HE TYR 34 4.251 3.156 -8.378
247 HH TYR 34 HH TYR 34 2.013 3.862 -8.255
248 H LYS 35 H LYS 35 9.234 6.551 -5.913
249 HA LYS 35 HA LYS 35 11.603 6.019 -4.255
250 HB2 LYS 35 1HB LYS 35 13.008 6.253 -6.356
251 HB3 LYS 35 2HB LYS 35 12.101 4.750 -6.204
252 HG2 LYS 35 1HG LYS 35 10.731 7.017 -7.571
253 HG3 LYS 35 2HG LYS 35 12.046 6.235 -8.447
254 HD2 LYS 35 1HD LYS 35 9.965 4.519 -7.126
255 HD3 LYS 35 2HD LYS 35 9.577 5.308 -8.654
256 HE2 LYS 35 1HE LYS 35 11.550 4.287 -9.704
257 HE3 LYS 35 2HE LYS 35 11.988 3.527 -8.174
258 HZ1 LYS 35 3HZ LYS 35 9.505 2.680 -8.389
259 HZ2 LYS 35 1HZ LYS 35 10.811 1.840 -9.073
260 HZ3 LYS 35 2HZ LYS 35 9.855 2.857 -10.043
261 HA PRO 36 HA PRO 36 10.626 10.552 -5.063
262 HB2 PRO 36 2HB PRO 36 10.076 11.266 -2.487
263 HB3 PRO 36 1HB PRO 36 8.839 10.654 -3.604
264 HG2 PRO 36 2HG PRO 36 10.308 9.226 -1.440
265 HG3 PRO 36 1HG PRO 36 8.601 9.124 -1.904
266 HD2 PRO 36 2HD PRO 36 10.453 7.251 -2.645
267 HD3 PRO 36 1HD PRO 36 9.013 7.625 -3.617
268 H TYR 37 H TYR 37 12.105 12.203 -4.743
269 HA TYR 37 HA TYR 37 14.497 11.513 -3.146
270 HB2 TYR 37 2HB TYR 37 14.252 13.276 -5.592
271 HB3 TYR 37 1HB TYR 37 15.744 12.948 -4.709
272 HD1 TYR 37 1HD TYR 37 13.100 11.473 -6.831
273 HD2 TYR 37 2HD TYR 37 16.878 10.815 -4.895
274 HE1 TYR 37 1HE TYR 37 13.403 9.388 -8.135
275 HE2 TYR 37 2HE TYR 37 17.181 8.727 -6.200
276 HH TYR 37 HH TYR 37 15.053 7.880 -8.831
277 H VAL 38 H VAL 38 11.813 13.406 -3.083
278 HA VAL 38 HA VAL 38 13.167 15.453 -1.435
279 HB VAL 38 HB VAL 38 11.575 17.126 -2.275
280 HG11 VAL 38 1HG1 VAL 38 13.129 15.642 -4.417
281 HG12 VAL 38 2HG1 VAL 38 13.739 16.940 -3.390
282 HG13 VAL 38 3HG1 VAL 38 12.494 17.279 -4.592
283 HG21 VAL 38 3HG2 VAL 38 10.646 15.883 -4.643
284 HG22 VAL 38 1HG2 VAL 38 9.681 16.405 -3.263
285 HG23 VAL 38 2HG2 VAL 38 10.300 14.757 -3.329
286 HA PRO 39 HA PRO 39 9.582 13.368 0.743
287 HB2 PRO 39 2HB PRO 39 10.976 12.356 2.851
288 HB3 PRO 39 1HB PRO 39 10.789 11.486 1.316
289 HG2 PRO 39 2HG PRO 39 13.105 13.060 2.329
290 HG3 PRO 39 1HG PRO 39 13.080 11.530 1.437
291 HD2 PRO 39 2HD PRO 39 13.604 13.953 0.261
292 HD3 PRO 39 1HD PRO 39 12.905 12.573 -0.613
293 H VAL 40 H VAL 40 8.521 14.148 2.603
294 HA VAL 40 HA VAL 40 9.889 16.199 4.200
295 HB VAL 40 HB VAL 40 8.790 17.426 2.383
296 HG11 VAL 40 1HG1 VAL 40 6.682 16.978 1.649
297 HG12 VAL 40 2HG1 VAL 40 6.064 16.728 3.283
298 HG13 VAL 40 3HG1 VAL 40 6.919 15.427 2.454
299 HG21 VAL 40 3HG2 VAL 40 6.909 17.930 4.626
300 HG22 VAL 40 1HG2 VAL 40 7.985 19.048 3.790
301 HG23 VAL 40 2HG2 VAL 40 8.623 17.980 5.039
302 H THR 41 H THR 41 9.209 16.303 6.295
303 HA THR 41 HA THR 41 7.297 14.243 7.140
304 HB THR 41 HB THR 41 8.208 14.616 9.386
305 HG1 THR 41 1HG THR 41 9.479 16.271 9.804
306 HG21 THR 41 3HG2 THR 41 10.371 13.698 8.996
307 HG22 THR 41 1HG2 THR 41 10.510 14.501 7.433
308 HG23 THR 41 2HG2 THR 41 9.382 13.162 7.640
309 H THR 42 H THR 42 7.282 17.481 6.377
310 HA THR 42 HA THR 42 5.945 19.280 6.943
311 HB THR 42 HB THR 42 3.746 17.333 7.513
312 HG1 THR 42 1HG THR 42 5.259 16.658 5.722
313 HG21 THR 42 3HG2 THR 42 2.415 18.937 6.422
314 HG22 THR 42 1HG2 THR 42 3.793 19.634 5.571
315 HG23 THR 42 2HG2 THR 42 3.590 19.916 7.300
Start of MODEL 18
1 HA ASP 1 HA ASP 1 -11.420 2.828 5.976
2 HB2 ASP 1 1HB ASP 1 -11.584 5.612 5.843
3 HB3 ASP 1 2HB ASP 1 -11.334 5.116 4.170
4 H CYS 2 H CYS 2 -8.287 3.259 5.610
5 HA CYS 2 HA CYS 2 -8.169 1.754 3.139
6 HB2 CYS 2 2HB CYS 2 -6.502 3.364 2.135
7 HB3 CYS 2 1HB CYS 2 -8.171 3.923 2.137
8 H ALA 3 H ALA 3 -5.934 1.056 2.643
9 HA ALA 3 HA ALA 3 -4.602 0.242 5.056
10 HB1 ALA 3 3HB ALA 3 -2.948 -0.315 2.843
11 HB2 ALA 3 1HB ALA 3 -4.606 -0.500 2.263
12 HB3 ALA 3 2HB ALA 3 -4.050 -1.425 3.659
13 H LYS 4 H LYS 4 -3.033 1.286 6.089
14 HA LYS 4 HA LYS 4 -1.885 3.709 4.944
15 HB2 LYS 4 1HB LYS 4 -1.527 2.391 7.650
16 HB3 LYS 4 2HB LYS 4 -0.843 3.949 7.187
17 HG2 LYS 4 1HG LYS 4 -3.122 4.812 6.752
18 HG3 LYS 4 2HG LYS 4 -3.795 3.260 7.252
19 HD2 LYS 4 1HD LYS 4 -2.753 3.541 9.484
20 HD3 LYS 4 2HD LYS 4 -2.137 5.117 8.984
21 HE2 LYS 4 1HE LYS 4 -5.067 4.344 9.055
22 HE3 LYS 4 2HE LYS 4 -4.249 5.328 10.267
23 HZ1 LYS 4 3HZ LYS 4 -5.064 6.942 8.906
24 HZ2 LYS 4 1HZ LYS 4 -4.965 5.989 7.506
25 HZ3 LYS 4 2HZ LYS 4 -3.560 6.688 8.157
26 H GLU 5 H GLU 5 0.595 3.970 5.590
27 HA GLU 5 HA GLU 5 2.084 2.345 3.893
28 HB2 GLU 5 1HB GLU 5 2.858 4.539 4.635
29 HB3 GLU 5 2HB GLU 5 3.037 3.935 6.284
30 HG2 GLU 5 1HG GLU 5 4.760 2.382 5.593
31 HG3 GLU 5 2HG GLU 5 4.498 2.774 3.895
32 H GLY 6 H GLY 6 3.035 0.426 4.053
33 HA2 GLY 6 1HA GLY 6 4.025 -1.440 5.013
34 HA3 GLY 6 2HA GLY 6 3.741 -0.755 6.599
35 H GLU 7 H GLU 7 0.879 -0.509 4.981
36 HA GLU 7 HA GLU 7 -0.166 -2.880 6.358
37 HB2 GLU 7 1HB GLU 7 -1.135 -0.383 6.326
38 HB3 GLU 7 2HB GLU 7 -1.983 -1.015 4.913
39 HG2 GLU 7 1HG GLU 7 -1.980 -2.237 7.692
40 HG3 GLU 7 2HG GLU 7 -3.312 -1.345 6.960
41 H VAL 8 H VAL 8 -1.336 -4.489 5.318
42 HA VAL 8 HA VAL 8 -0.474 -5.314 2.814
43 HB VAL 8 HB VAL 8 -2.973 -6.010 4.357
44 HG11 VAL 8 1HG1 VAL 8 -3.591 -6.646 2.197
45 HG12 VAL 8 2HG1 VAL 8 -2.768 -8.098 2.767
46 HG13 VAL 8 3HG1 VAL 8 -1.927 -6.967 1.707
47 HG21 VAL 8 3HG2 VAL 8 -0.756 -7.927 3.870
48 HG22 VAL 8 1HG2 VAL 8 -1.710 -7.659 5.328
49 HG23 VAL 8 2HG2 VAL 8 -0.379 -6.573 4.933
50 H CYS 9 H CYS 9 -1.196 -5.077 0.732
51 HA CYS 9 HA CYS 9 -3.645 -3.471 0.310
52 HB2 CYS 9 2HB CYS 9 -2.554 -2.061 -1.318
53 HB3 CYS 9 1HB CYS 9 -1.624 -1.979 0.181
54 H SER 10 H SER 10 -4.277 -3.533 -2.043
55 HA SER 10 HA SER 10 -4.924 -4.714 -3.892
56 HB2 SER 10 1HB SER 10 -2.239 -6.046 -3.501
57 HB3 SER 10 2HB SER 10 -3.294 -6.326 -4.875
58 HG SER 10 HG SER 10 -3.205 -4.038 -5.240
59 H TRP 11 H TRP 11 -3.975 -6.462 -1.039
60 HA TRP 11 HA TRP 11 -5.196 -8.948 -1.790
61 HB2 TRP 11 2HB TRP 11 -3.490 -8.020 0.254
62 HB3 TRP 11 1HB TRP 11 -4.930 -8.612 1.067
63 HD1 TRP 11 1HD TRP 11 -1.750 -9.807 -0.174
64 HE1 TRP 11 1HE TRP 11 -1.775 -12.359 -0.542
65 HE3 TRP 11 3HE TRP 11 -6.767 -10.659 0.008
66 HZ2 TRP 11 2HZ TRP 11 -3.683 -14.485 -0.733
67 HZ3 TRP 11 3HZ TRP 11 -7.672 -12.954 -0.266
68 HH2 TRP 11 2HH TRP 11 -6.136 -14.866 -0.637
69 H GLY 12 H GLY 12 -6.933 -6.800 -2.238
70 HA2 GLY 12 1HA GLY 12 -9.292 -6.738 -2.026
71 HA3 GLY 12 2HA GLY 12 -9.156 -7.598 -0.497
72 H LYS 13 H LYS 13 -6.888 -5.112 -0.705
73 HA LYS 13 HA LYS 13 -8.682 -3.161 0.588
74 HB2 LYS 13 1HB LYS 13 -7.313 -4.568 2.251
75 HB3 LYS 13 2HB LYS 13 -5.905 -3.705 1.631
76 HG2 LYS 13 1HG LYS 13 -6.504 -2.301 3.377
77 HG3 LYS 13 2HG LYS 13 -7.427 -1.577 2.061
78 HD2 LYS 13 1HD LYS 13 -9.098 -1.787 3.653
79 HD3 LYS 13 2HD LYS 13 -9.262 -3.339 2.832
80 HE2 LYS 13 1HE LYS 13 -7.810 -4.393 4.530
81 HE3 LYS 13 2HE LYS 13 -7.649 -2.841 5.352
82 HZ1 LYS 13 3HZ LYS 13 -9.849 -2.856 6.002
83 HZ2 LYS 13 1HZ LYS 13 -9.427 -4.493 6.153
84 HZ3 LYS 13 2HZ LYS 13 -10.316 -3.966 4.804
85 H LYS 14 H LYS 14 -8.374 -1.106 -0.049
86 HA LYS 14 HA LYS 14 -6.287 -0.593 -2.042
87 HB2 LYS 14 1HB LYS 14 -8.673 1.054 -1.159
88 HB3 LYS 14 2HB LYS 14 -7.546 1.510 -2.437
89 HG2 LYS 14 1HG LYS 14 -8.119 -0.555 -3.675
90 HG3 LYS 14 2HG LYS 14 -9.266 -0.987 -2.407
91 HD2 LYS 14 1HD LYS 14 -10.516 1.110 -2.840
92 HD3 LYS 14 2HD LYS 14 -9.392 1.500 -4.139
93 HE2 LYS 14 1HE LYS 14 -11.121 -0.989 -4.032
94 HE3 LYS 14 2HE LYS 14 -11.467 0.443 -5.002
95 HZ1 LYS 14 3HZ LYS 14 -9.384 0.123 -6.167
96 HZ2 LYS 14 1HZ LYS 14 -10.348 -1.265 -6.296
97 HZ3 LYS 14 2HZ LYS 14 -9.032 -1.245 -5.222
98 H CYS 15 H CYS 15 -4.621 0.742 -1.750
99 HA CYS 15 HA CYS 15 -3.859 1.445 0.904
100 HB2 CYS 15 2HB CYS 15 -2.373 0.865 -1.135
101 HB3 CYS 15 1HB CYS 15 -2.593 2.553 -1.577
102 H CYS 16 H CYS 16 -3.573 3.512 1.784
103 HA CYS 16 HA CYS 16 -5.645 5.351 1.361
104 HB2 CYS 16 2HB CYS 16 -2.975 5.621 2.751
105 HB3 CYS 16 1HB CYS 16 -4.231 6.850 2.820
106 H ASP 17 H ASP 17 -2.310 5.324 0.219
107 HA ASP 17 HA ASP 17 -3.036 7.445 -1.709
108 HB2 ASP 17 1HB ASP 17 -0.584 7.265 0.035
109 HB3 ASP 17 2HB ASP 17 -0.605 8.217 -1.448
110 H LEU 18 H LEU 18 -3.373 5.678 -3.189
111 HA LEU 18 HA LEU 18 -1.360 3.803 -3.861
112 HB2 LEU 18 1HB LEU 18 -3.740 4.868 -5.394
113 HB3 LEU 18 2HB LEU 18 -2.717 3.562 -5.988
114 HG LEU 18 HG LEU 18 -3.958 3.420 -3.240
115 HD11 LEU 18 1HD1 LEU 18 -5.772 3.837 -4.881
116 HD12 LEU 18 2HD1 LEU 18 -5.847 2.203 -4.220
117 HD13 LEU 18 3HD1 LEU 18 -5.197 2.471 -5.837
118 HD21 LEU 18 3HD2 LEU 18 -3.826 0.957 -3.771
119 HD22 LEU 18 1HD2 LEU 18 -2.251 1.734 -3.718
120 HD23 LEU 18 2HD2 LEU 18 -2.997 1.371 -5.270
121 H ASP 19 H ASP 19 -1.793 7.127 -4.636
122 HA ASP 19 HA ASP 19 -0.243 7.131 -7.050
123 HB2 ASP 19 1HB ASP 19 -1.129 9.322 -5.168
124 HB3 ASP 19 2HB ASP 19 -0.213 9.626 -6.643
125 H ASN 20 H ASN 20 0.437 7.635 -3.621
126 HA ASN 20 HA ASN 20 3.267 8.140 -4.269
127 HB2 ASN 20 1HB ASN 20 1.774 8.516 -1.667
128 HB3 ASN 20 2HB ASN 20 3.458 8.924 -1.947
129 HD21 ASN 20 1HD2 ASN 20 0.704 11.615 -2.762
130 HD22 ASN 20 2HD2 ASN 20 0.520 10.317 -1.693
131 H PHE 21 H PHE 21 1.223 5.639 -3.404
132 HA PHE 21 HA PHE 21 3.496 4.054 -2.409
133 HB2 PHE 21 2HB PHE 21 0.679 4.004 -1.319
134 HB3 PHE 21 1HB PHE 21 1.913 2.811 -0.936
135 HD1 PHE 21 1HD PHE 21 1.376 6.509 -0.967
136 HD2 PHE 21 2HD PHE 21 3.352 3.185 0.880
137 HE1 PHE 21 1HE PHE 21 2.250 8.017 0.785
138 HE2 PHE 21 2HE PHE 21 4.239 4.693 2.633
139 HZ PHE 21 HZ PHE 21 3.690 7.109 2.589
140 H TYR 22 H TYR 22 3.396 1.808 -2.847
141 HA TYR 22 HA TYR 22 1.486 1.023 -4.951
142 HB2 TYR 22 2HB TYR 22 3.343 -0.084 -6.147
143 HB3 TYR 22 1HB TYR 22 3.575 1.658 -6.043
144 HD1 TYR 22 1HD TYR 22 4.693 -1.622 -4.801
145 HD2 TYR 22 2HD TYR 22 5.287 2.636 -4.666
146 HE1 TYR 22 1HE TYR 22 6.905 -1.961 -3.838
147 HE2 TYR 22 2HE TYR 22 7.479 2.268 -3.652
148 HH TYR 22 HH TYR 22 9.219 0.515 -3.591
149 H CYS 23 H CYS 23 1.937 -1.467 -5.409
150 HA CYS 23 HA CYS 23 1.839 -2.785 -2.785
151 HB2 CYS 23 2HB CYS 23 0.483 -3.370 -5.392
152 HB3 CYS 23 1HB CYS 23 0.613 -4.587 -4.124
153 HA PRO 24 HA PRO 24 5.911 -4.329 -4.315
154 HB2 PRO 24 2HB PRO 24 5.685 -5.657 -1.646
155 HB3 PRO 24 1HB PRO 24 7.051 -4.779 -2.353
156 HG2 PRO 24 2HG PRO 24 5.581 -3.667 -0.476
157 HG3 PRO 24 1HG PRO 24 6.163 -2.726 -1.847
158 HD2 PRO 24 2HD PRO 24 3.413 -3.777 -1.334
159 HD3 PRO 24 1HD PRO 24 3.921 -2.260 -2.081
160 H MET 25 H MET 25 6.444 -6.260 -5.239
161 HA MET 25 HA MET 25 4.372 -8.330 -5.260
162 HB2 MET 25 1HB MET 25 6.773 -7.724 -6.960
163 HB3 MET 25 2HB MET 25 6.018 -9.317 -7.021
164 HG2 MET 25 1HG MET 25 4.462 -6.744 -7.365
165 HG3 MET 25 2HG MET 25 5.137 -7.647 -8.721
166 HE1 MET 25 3HE MET 25 2.922 -7.160 -9.350
167 HE2 MET 25 1HE MET 25 1.475 -7.487 -8.385
168 HE3 MET 25 2HE MET 25 1.971 -8.613 -9.644
169 H GLU 26 H GLU 26 4.790 -9.038 -3.051
170 HA GLU 26 HA GLU 26 6.936 -11.042 -2.979
171 HB2 GLU 26 1HB GLU 26 6.471 -8.907 -0.894
172 HB3 GLU 26 2HB GLU 26 7.401 -10.375 -0.586
173 HG2 GLU 26 1HG GLU 26 8.952 -9.810 -2.394
174 HG3 GLU 26 2HG GLU 26 8.000 -8.380 -2.788
175 H PHE 27 H PHE 27 4.193 -11.461 -3.433
176 HA PHE 27 HA PHE 27 2.561 -12.939 -2.784
177 HB2 PHE 27 2HB PHE 27 4.682 -14.074 -1.747
178 HB3 PHE 27 1HB PHE 27 4.010 -13.492 -0.227
179 HD1 PHE 27 1HD PHE 27 3.076 -15.371 -3.320
180 HD2 PHE 27 2HD PHE 27 2.307 -14.704 0.853
181 HE1 PHE 27 1HE PHE 27 1.465 -17.254 -3.318
182 HE2 PHE 27 2HE PHE 27 0.694 -16.587 0.855
183 HZ PHE 27 HZ PHE 27 0.273 -17.862 -1.228
184 H ILE 28 H ILE 28 3.842 -10.787 -0.304
185 HA ILE 28 HA ILE 28 1.079 -10.187 0.533
186 HB ILE 28 HB ILE 28 2.132 -9.789 2.844
187 HG12 ILE 28 1HG1 ILE 28 4.173 -11.728 1.714
188 HG13 ILE 28 2HG1 ILE 28 4.492 -10.014 1.969
189 HG21 ILE 28 1HG2 ILE 28 0.557 -11.589 2.429
190 HG22 ILE 28 2HG2 ILE 28 1.887 -12.224 3.400
191 HG23 ILE 28 3HG2 ILE 28 1.815 -12.563 1.672
192 HD11 ILE 28 3HD1 ILE 28 3.349 -11.034 4.375
193 HD12 ILE 28 1HD1 ILE 28 4.988 -10.435 4.120
194 HD13 ILE 28 2HD1 ILE 28 4.625 -12.144 3.879
195 HA PRO 29 HA PRO 29 3.397 -6.419 -0.933
196 HB2 PRO 29 2HB PRO 29 0.614 -5.660 -1.624
197 HB3 PRO 29 1HB PRO 29 2.084 -5.574 -2.610
198 HG2 PRO 29 2HG PRO 29 0.199 -7.409 -3.051
199 HG3 PRO 29 1HG PRO 29 1.916 -7.791 -3.258
200 HD2 PRO 29 2HD PRO 29 0.077 -8.531 -1.009
201 HD3 PRO 29 1HD PRO 29 1.393 -9.470 -1.749
202 H HIS 30 H HIS 30 3.661 -4.575 0.234
203 HA HIS 30 HA HIS 30 1.520 -3.813 2.124
204 HB2 HIS 30 1HB HIS 30 4.491 -3.858 2.693
205 HB3 HIS 30 2HB HIS 30 3.263 -3.174 3.748
206 HD1 HIS 30 HD1 HIS 30 4.643 -6.445 2.575
207 HD2 HIS 30 HD2 HIS 30 1.536 -5.067 4.986
208 HE1 HIS 30 HE1 HIS 30 3.774 -8.458 3.842
209 H CYS 31 H CYS 31 0.944 -1.732 2.024
210 HA CYS 31 HA CYS 31 1.483 0.022 0.041
211 HB2 CYS 31 2HB CYS 31 0.935 0.518 2.941
212 HB3 CYS 31 1HB CYS 31 1.120 1.860 1.824
213 H LYS 32 H LYS 32 3.549 0.166 -0.716
214 HA LYS 32 HA LYS 32 5.598 1.167 1.139
215 HB2 LYS 32 1HB LYS 32 6.099 -1.013 0.058
216 HB3 LYS 32 2HB LYS 32 5.953 -0.238 -1.509
217 HG2 LYS 32 1HG LYS 32 8.309 -0.411 -0.849
218 HG3 LYS 32 2HG LYS 32 7.820 1.275 -0.959
219 HD2 LYS 32 1HD LYS 32 7.769 1.548 1.384
220 HD3 LYS 32 2HD LYS 32 7.691 -0.191 1.679
221 HE2 LYS 32 1HE LYS 32 10.008 -0.421 0.871
222 HE3 LYS 32 2HE LYS 32 10.070 1.309 0.537
223 HZ1 LYS 32 3HZ LYS 32 10.458 -0.045 2.994
224 HZ2 LYS 32 1HZ LYS 32 9.178 1.058 3.138
225 HZ3 LYS 32 2HZ LYS 32 10.706 1.594 2.626
226 H LYS 33 H LYS 33 6.440 3.131 0.815
227 HA LYS 33 HA LYS 33 5.330 4.804 -1.228
228 HB2 LYS 33 1HB LYS 33 6.112 5.406 1.207
229 HB3 LYS 33 2HB LYS 33 7.688 5.599 0.446
230 HG2 LYS 33 1HG LYS 33 6.834 7.268 -1.074
231 HG3 LYS 33 2HG LYS 33 5.175 6.974 -0.551
232 HD2 LYS 33 1HD LYS 33 5.906 7.662 1.782
233 HD3 LYS 33 2HD LYS 33 7.420 8.209 1.055
234 HE2 LYS 33 1HE LYS 33 6.187 9.717 -0.434
235 HE3 LYS 33 2HE LYS 33 4.653 9.140 0.228
236 HZ1 LYS 33 3HZ LYS 33 4.864 10.472 1.978
237 HZ2 LYS 33 1HZ LYS 33 6.147 11.233 1.169
238 HZ3 LYS 33 2HZ LYS 33 6.464 9.981 2.273
239 H TYR 34 H TYR 34 6.319 5.694 -3.003
240 HA TYR 34 HA TYR 34 8.274 4.164 -4.370
241 HB2 TYR 34 2HB TYR 34 7.260 6.949 -4.804
242 HB3 TYR 34 1HB TYR 34 8.313 6.111 -5.937
243 HD1 TYR 34 1HD TYR 34 4.958 6.559 -4.702
244 HD2 TYR 34 2HD TYR 34 7.486 3.930 -6.964
245 HE1 TYR 34 1HE TYR 34 2.962 5.470 -5.654
246 HE2 TYR 34 2HE TYR 34 5.477 2.836 -7.929
247 HH TYR 34 HH TYR 34 2.307 4.164 -7.531
248 H LYS 35 H LYS 35 10.427 4.375 -4.605
249 HA LYS 35 HA LYS 35 12.337 4.811 -3.044
250 HB2 LYS 35 1HB LYS 35 12.432 6.667 -5.409
251 HB3 LYS 35 2HB LYS 35 13.771 5.831 -4.623
252 HG2 LYS 35 1HG LYS 35 13.458 4.336 -6.330
253 HG3 LYS 35 2HG LYS 35 12.235 3.698 -5.230
254 HD2 LYS 35 1HD LYS 35 10.985 3.936 -7.176
255 HD3 LYS 35 2HD LYS 35 10.686 5.492 -6.402
256 HE2 LYS 35 1HE LYS 35 12.519 6.500 -7.727
257 HE3 LYS 35 2HE LYS 35 12.806 4.944 -8.502
258 HZ1 LYS 35 3HZ LYS 35 11.277 6.702 -9.619
259 HZ2 LYS 35 1HZ LYS 35 10.106 6.091 -8.555
260 HZ3 LYS 35 2HZ LYS 35 10.860 5.056 -9.671
261 HA PRO 36 HA PRO 36 10.854 8.787 -1.218
262 HB2 PRO 36 2HB PRO 36 11.036 8.057 1.398
263 HB3 PRO 36 1HB PRO 36 9.623 7.688 0.390
264 HG2 PRO 36 2HG PRO 36 11.874 5.929 1.209
265 HG3 PRO 36 1HG PRO 36 10.151 5.556 1.042
266 HD2 PRO 36 2HD PRO 36 12.063 4.911 -0.831
267 HD3 PRO 36 1HD PRO 36 10.338 5.110 -1.213
268 H TYR 37 H TYR 37 12.086 10.453 -0.389
269 HA TYR 37 HA TYR 37 14.936 9.831 0.112
270 HB2 TYR 37 2HB TYR 37 13.702 12.356 -1.015
271 HB3 TYR 37 1HB TYR 37 15.424 12.073 -0.753
272 HD1 TYR 37 1HD TYR 37 12.475 11.136 -2.753
273 HD2 TYR 37 2HD TYR 37 16.695 10.563 -2.189
274 HE1 TYR 37 1HE TYR 37 12.616 10.023 -4.960
275 HE2 TYR 37 2HE TYR 37 16.837 9.448 -4.402
276 HH TYR 37 HH TYR 37 15.194 8.174 -5.928
277 H VAL 38 H VAL 38 12.209 10.522 1.721
278 HA VAL 38 HA VAL 38 11.663 11.675 3.656
279 HB VAL 38 HB VAL 38 14.505 11.012 4.427
280 HG11 VAL 38 1HG1 VAL 38 13.707 11.032 6.625
281 HG12 VAL 38 2HG1 VAL 38 12.040 10.750 6.127
282 HG13 VAL 38 3HG1 VAL 38 12.772 12.336 5.898
283 HG21 VAL 38 3HG2 VAL 38 12.135 9.251 3.901
284 HG22 VAL 38 1HG2 VAL 38 13.211 8.842 5.237
285 HG23 VAL 38 2HG2 VAL 38 13.844 8.942 3.595
286 HA PRO 39 HA PRO 39 14.227 15.425 2.394
287 HB2 PRO 39 2HB PRO 39 12.192 16.868 1.278
288 HB3 PRO 39 1HB PRO 39 13.202 15.737 0.354
289 HG2 PRO 39 2HG PRO 39 10.464 15.358 1.470
290 HG3 PRO 39 1HG PRO 39 11.136 14.832 -0.084
291 HD2 PRO 39 2HD PRO 39 10.842 13.144 2.048
292 HD3 PRO 39 1HD PRO 39 12.114 12.939 0.822
293 H VAL 40 H VAL 40 14.261 17.388 3.528
294 HA VAL 40 HA VAL 40 12.951 17.449 6.031
295 HB VAL 40 HB VAL 40 15.139 18.561 5.489
296 HG11 VAL 40 1HG1 VAL 40 13.652 20.945 4.508
297 HG12 VAL 40 2HG1 VAL 40 13.867 19.620 3.363
298 HG13 VAL 40 3HG1 VAL 40 15.276 20.386 4.101
299 HG21 VAL 40 3HG2 VAL 40 14.677 19.585 7.445
300 HG22 VAL 40 1HG2 VAL 40 12.945 19.523 7.105
301 HG23 VAL 40 2HG2 VAL 40 13.907 20.886 6.536
302 H THR 41 H THR 41 12.170 18.808 2.905
303 HA THR 41 HA THR 41 10.122 20.577 3.895
304 HB THR 41 HB THR 41 9.597 20.936 1.536
305 HG1 THR 41 1HG THR 41 9.801 19.057 0.534
306 HG21 THR 41 3HG2 THR 41 11.874 21.677 2.774
307 HG22 THR 41 1HG2 THR 41 11.509 22.122 1.108
308 HG23 THR 41 2HG2 THR 41 12.561 20.746 1.444
309 H THR 42 H THR 42 7.841 20.367 3.198
310 HA THR 42 HA THR 42 5.842 19.237 3.260
311 HB THR 42 HB THR 42 7.157 16.825 2.067
312 HG1 THR 42 1HG THR 42 7.529 17.852 0.219
313 HG21 THR 42 3HG2 THR 42 4.680 18.304 1.189
314 HG22 THR 42 1HG2 THR 42 4.640 17.161 2.532
315 HG23 THR 42 2HG2 THR 42 5.102 16.614 0.920
Start of MODEL 19
1 HA ASP 1 HA ASP 1 -10.430 1.201 6.534
2 HB2 ASP 1 1HB ASP 1 -11.201 2.899 4.717
3 HB3 ASP 1 2HB ASP 1 -12.214 2.680 6.143
4 H CYS 2 H CYS 2 -9.745 1.490 4.067
5 HA CYS 2 HA CYS 2 -7.956 1.387 2.620
6 HB2 CYS 2 2HB CYS 2 -7.059 3.427 2.155
7 HB3 CYS 2 1HB CYS 2 -8.308 3.983 3.263
8 H ALA 3 H ALA 3 -5.451 1.524 2.537
9 HA ALA 3 HA ALA 3 -4.406 0.231 4.978
10 HB1 ALA 3 3HB ALA 3 -3.939 -1.437 3.532
11 HB2 ALA 3 1HB ALA 3 -2.635 -0.393 2.967
12 HB3 ALA 3 2HB ALA 3 -4.184 -0.400 2.127
13 H LYS 4 H LYS 4 -2.813 1.204 6.044
14 HA LYS 4 HA LYS 4 -1.681 3.680 4.974
15 HB2 LYS 4 1HB LYS 4 -1.401 2.370 7.690
16 HB3 LYS 4 2HB LYS 4 -0.769 3.954 7.246
17 HG2 LYS 4 1HG LYS 4 -3.036 4.762 6.776
18 HG3 LYS 4 2HG LYS 4 -3.697 3.165 7.118
19 HD2 LYS 4 1HD LYS 4 -4.049 4.290 9.141
20 HD3 LYS 4 2HD LYS 4 -2.528 3.450 9.432
21 HE2 LYS 4 1HE LYS 4 -2.352 5.774 10.186
22 HE3 LYS 4 2HE LYS 4 -1.288 5.519 8.810
23 HZ1 LYS 4 3HZ LYS 4 -3.487 7.283 9.064
24 HZ2 LYS 4 1HZ LYS 4 -3.735 6.231 7.757
25 HZ3 LYS 4 2HZ LYS 4 -2.331 7.186 7.822
26 H GLU 5 H GLU 5 0.717 4.052 5.395
27 HA GLU 5 HA GLU 5 2.296 2.411 3.868
28 HB2 GLU 5 1HB GLU 5 2.962 4.654 4.661
29 HB3 GLU 5 2HB GLU 5 3.211 3.995 6.277
30 HG2 GLU 5 1HG GLU 5 4.937 2.479 5.419
31 HG3 GLU 5 2HG GLU 5 4.660 3.062 3.780
32 H GLY 6 H GLY 6 3.189 0.466 4.072
33 HA2 GLY 6 1HA GLY 6 4.160 -1.393 5.069
34 HA3 GLY 6 2HA GLY 6 3.944 -0.638 6.636
35 H GLU 7 H GLU 7 1.042 -0.445 5.025
36 HA GLU 7 HA GLU 7 0.011 -2.741 6.547
37 HB2 GLU 7 1HB GLU 7 -1.000 -0.417 6.793
38 HB3 GLU 7 2HB GLU 7 -1.612 -0.610 5.151
39 HG2 GLU 7 1HG GLU 7 -2.893 -2.552 5.772
40 HG3 GLU 7 2HG GLU 7 -2.158 -2.588 7.374
41 H VAL 8 H VAL 8 -1.198 -4.372 5.592
42 HA VAL 8 HA VAL 8 -0.429 -5.246 3.074
43 HB VAL 8 HB VAL 8 -2.910 -5.922 4.655
44 HG11 VAL 8 1HG1 VAL 8 -1.689 -7.158 2.180
45 HG12 VAL 8 2HG1 VAL 8 -3.346 -6.598 2.407
46 HG13 VAL 8 3HG1 VAL 8 -2.783 -8.047 3.240
47 HG21 VAL 8 3HG2 VAL 8 -0.254 -7.359 4.348
48 HG22 VAL 8 1HG2 VAL 8 -1.605 -7.872 5.359
49 HG23 VAL 8 2HG2 VAL 8 -0.721 -6.397 5.751
50 H CYS 9 H CYS 9 -1.086 -4.855 1.009
51 HA CYS 9 HA CYS 9 -3.621 -3.360 0.649
52 HB2 CYS 9 2HB CYS 9 -2.597 -1.951 -1.033
53 HB3 CYS 9 1HB CYS 9 -1.667 -1.818 0.459
54 H SER 10 H SER 10 -3.272 -3.178 -2.189
55 HA SER 10 HA SER 10 -3.719 -4.359 -4.100
56 HB2 SER 10 1HB SER 10 -1.500 -5.427 -3.473
57 HB3 SER 10 2HB SER 10 -2.427 -6.744 -2.773
58 HG SER 10 HG SER 10 -2.885 -7.425 -4.709
59 H TRP 11 H TRP 11 -3.922 -7.510 -3.328
60 HA TRP 11 HA TRP 11 -6.670 -7.739 -3.705
61 HB2 TRP 11 2HB TRP 11 -6.437 -10.031 -3.075
62 HB3 TRP 11 1HB TRP 11 -4.927 -9.583 -3.864
63 HD1 TRP 11 1HD TRP 11 -2.756 -9.329 -2.338
64 HE1 TRP 11 1HE TRP 11 -2.218 -10.159 0.041
65 HE3 TRP 11 3HE TRP 11 -7.453 -10.505 -0.742
66 HZ2 TRP 11 2HZ TRP 11 -3.604 -11.189 2.327
67 HZ3 TRP 11 3HZ TRP 11 -7.823 -11.408 1.537
68 HH2 TRP 11 2HH TRP 11 -5.905 -11.752 3.072
69 H GLY 12 H GLY 12 -4.810 -7.285 -0.745
70 HA2 GLY 12 1HA GLY 12 -6.831 -7.940 1.108
71 HA3 GLY 12 2HA GLY 12 -5.467 -6.871 1.420
72 H LYS 13 H LYS 13 -5.981 -4.866 -0.467
73 HA LYS 13 HA LYS 13 -8.600 -3.853 -0.504
74 HB2 LYS 13 1HB LYS 13 -7.713 -3.756 2.093
75 HB3 LYS 13 2HB LYS 13 -7.190 -2.189 1.490
76 HG2 LYS 13 1HG LYS 13 -9.466 -1.703 0.708
77 HG3 LYS 13 2HG LYS 13 -10.007 -3.290 1.255
78 HD2 LYS 13 1HD LYS 13 -9.376 -2.703 3.574
79 HD3 LYS 13 2HD LYS 13 -8.879 -1.101 3.024
80 HE2 LYS 13 1HE LYS 13 -11.174 -0.653 2.236
81 HE3 LYS 13 2HE LYS 13 -11.674 -2.257 2.772
82 HZ1 LYS 13 3HZ LYS 13 -11.646 -1.649 4.930
83 HZ2 LYS 13 1HZ LYS 13 -11.893 -0.099 4.287
84 HZ3 LYS 13 2HZ LYS 13 -10.332 -0.588 4.743
85 H LYS 14 H LYS 14 -7.962 -1.087 -0.051
86 HA LYS 14 HA LYS 14 -6.043 -0.615 -2.255
87 HB2 LYS 14 1HB LYS 14 -8.505 0.941 -1.427
88 HB3 LYS 14 2HB LYS 14 -7.341 1.494 -2.632
89 HG2 LYS 14 1HG LYS 14 -7.761 -0.529 -3.977
90 HG3 LYS 14 2HG LYS 14 -8.923 -1.090 -2.775
91 HD2 LYS 14 1HD LYS 14 -10.326 0.881 -3.175
92 HD3 LYS 14 2HD LYS 14 -9.148 1.501 -4.333
93 HE2 LYS 14 1HE LYS 14 -10.980 0.379 -5.520
94 HE3 LYS 14 2HE LYS 14 -9.479 -0.522 -5.730
95 HZ1 LYS 14 3HZ LYS 14 -10.473 -2.281 -4.864
96 HZ2 LYS 14 1HZ LYS 14 -11.899 -1.399 -4.608
97 HZ3 LYS 14 2HZ LYS 14 -10.702 -1.447 -3.403
98 H CYS 15 H CYS 15 -4.370 0.680 -1.896
99 HA CYS 15 HA CYS 15 -3.711 1.440 0.768
100 HB2 CYS 15 2HB CYS 15 -2.138 0.812 -1.173
101 HB3 CYS 15 1HB CYS 15 -2.360 2.475 -1.708
102 H CYS 16 H CYS 16 -4.025 3.317 1.814
103 HA CYS 16 HA CYS 16 -5.883 5.187 1.199
104 HB2 CYS 16 2HB CYS 16 -3.651 5.012 3.020
105 HB3 CYS 16 1HB CYS 16 -3.865 6.670 2.467
106 H ASP 17 H ASP 17 -2.554 5.150 0.075
107 HA ASP 17 HA ASP 17 -3.278 7.179 -1.928
108 HB2 ASP 17 1HB ASP 17 -0.925 7.288 -0.046
109 HB3 ASP 17 2HB ASP 17 -0.942 8.166 -1.574
110 H LEU 18 H LEU 18 -3.360 5.495 -3.447
111 HA LEU 18 HA LEU 18 -1.220 3.661 -3.866
112 HB2 LEU 18 1HB LEU 18 -3.542 4.542 -5.595
113 HB3 LEU 18 2HB LEU 18 -2.381 3.320 -6.110
114 HG LEU 18 HG LEU 18 -3.795 3.077 -3.453
115 HD11 LEU 18 1HD1 LEU 18 -5.710 3.105 -4.758
116 HD12 LEU 18 2HD1 LEU 18 -5.250 1.413 -4.951
117 HD13 LEU 18 3HD1 LEU 18 -4.853 2.585 -6.209
118 HD21 LEU 18 3HD2 LEU 18 -1.782 1.603 -4.667
119 HD22 LEU 18 1HD2 LEU 18 -3.231 0.710 -5.114
120 HD23 LEU 18 2HD2 LEU 18 -2.860 0.992 -3.418
121 H ASP 19 H ASP 19 -1.779 6.937 -4.801
122 HA ASP 19 HA ASP 19 -0.034 6.968 -7.080
123 HB2 ASP 19 1HB ASP 19 -1.197 9.158 -5.353
124 HB3 ASP 19 2HB ASP 19 -0.173 9.473 -6.752
125 H ASN 20 H ASN 20 0.333 7.638 -3.630
126 HA ASN 20 HA ASN 20 3.149 8.361 -4.054
127 HB2 ASN 20 1HB ASN 20 1.453 8.460 -1.555
128 HB3 ASN 20 2HB ASN 20 3.111 9.019 -1.679
129 HD21 ASN 20 1HD2 ASN 20 0.288 11.598 -2.489
130 HD22 ASN 20 2HD2 ASN 20 0.167 10.274 -1.443
131 H PHE 21 H PHE 21 1.227 5.680 -3.235
132 HA PHE 21 HA PHE 21 3.616 4.229 -2.307
133 HB2 PHE 21 2HB PHE 21 0.824 3.971 -1.179
134 HB3 PHE 21 1HB PHE 21 2.167 2.898 -0.792
135 HD1 PHE 21 1HD PHE 21 1.130 6.467 -0.745
136 HD2 PHE 21 2HD PHE 21 3.738 3.489 0.905
137 HE1 PHE 21 1HE PHE 21 1.868 8.078 0.989
138 HE2 PHE 21 2HE PHE 21 4.487 5.099 2.631
139 HZ PHE 21 HZ PHE 21 3.555 7.395 2.673
140 H TYR 22 H TYR 22 3.545 1.927 -2.676
141 HA TYR 22 HA TYR 22 1.688 1.103 -4.814
142 HB2 TYR 22 2HB TYR 22 3.527 0.032 -6.012
143 HB3 TYR 22 1HB TYR 22 3.860 1.752 -5.826
144 HD1 TYR 22 1HD TYR 22 4.640 -1.624 -4.453
145 HD2 TYR 22 2HD TYR 22 5.714 2.525 -4.625
146 HE1 TYR 22 1HE TYR 22 6.806 -2.135 -3.461
147 HE2 TYR 22 2HE TYR 22 7.870 2.003 -3.583
148 HH TYR 22 HH TYR 22 9.378 0.159 -3.278
149 H CYS 23 H CYS 23 1.784 -1.277 -5.171
150 HA CYS 23 HA CYS 23 1.901 -2.644 -2.590
151 HB2 CYS 23 2HB CYS 23 0.407 -3.211 -5.127
152 HB3 CYS 23 1HB CYS 23 0.543 -4.391 -3.829
153 HA PRO 24 HA PRO 24 5.829 -4.357 -4.241
154 HB2 PRO 24 2HB PRO 24 5.299 -6.089 -1.850
155 HB3 PRO 24 1HB PRO 24 6.806 -5.316 -2.363
156 HG2 PRO 24 2HG PRO 24 5.421 -4.297 -0.395
157 HG3 PRO 24 1HG PRO 24 6.166 -3.248 -1.595
158 HD2 PRO 24 2HD PRO 24 3.300 -3.993 -1.271
159 HD3 PRO 24 1HD PRO 24 4.020 -2.465 -1.810
160 H MET 25 H MET 25 6.303 -6.152 -5.443
161 HA MET 25 HA MET 25 4.134 -7.829 -6.295
162 HB2 MET 25 1HB MET 25 7.092 -8.112 -6.877
163 HB3 MET 25 2HB MET 25 5.765 -8.840 -7.784
164 HG2 MET 25 1HG MET 25 6.208 -5.860 -7.447
165 HG3 MET 25 2HG MET 25 6.629 -6.788 -8.887
166 HE1 MET 25 3HE MET 25 3.745 -4.258 -9.147
167 HE2 MET 25 1HE MET 25 4.363 -5.112 -10.569
168 HE3 MET 25 2HE MET 25 5.469 -4.585 -9.302
169 H GLU 26 H GLU 26 3.754 -8.607 -3.988
170 HA GLU 26 HA GLU 26 5.121 -11.171 -3.658
171 HB2 GLU 26 1HB GLU 26 4.750 -9.138 -1.444
172 HB3 GLU 26 2HB GLU 26 5.285 -10.804 -1.210
173 HG2 GLU 26 1HG GLU 26 7.223 -10.379 -2.693
174 HG3 GLU 26 2HG GLU 26 6.702 -8.704 -2.877
175 H PHE 27 H PHE 27 3.938 -12.479 -1.960
176 HA PHE 27 HA PHE 27 1.191 -12.659 -2.689
177 HB2 PHE 27 2HB PHE 27 1.321 -14.292 -0.554
178 HB3 PHE 27 1HB PHE 27 1.927 -14.751 -2.144
179 HD1 PHE 27 1HD PHE 27 2.806 -14.030 1.300
180 HD2 PHE 27 2HD PHE 27 4.377 -14.411 -2.680
181 HE1 PHE 27 1HE PHE 27 5.100 -14.246 2.223
182 HE2 PHE 27 2HE PHE 27 6.666 -14.635 -1.755
183 HZ PHE 27 HZ PHE 27 7.029 -14.552 0.696
184 H ILE 28 H ILE 28 2.856 -10.811 -0.375
185 HA ILE 28 HA ILE 28 0.307 -9.940 0.782
186 HB ILE 28 HB ILE 28 1.483 -9.821 3.029
187 HG12 ILE 28 1HG1 ILE 28 3.332 -11.820 1.703
188 HG13 ILE 28 2HG1 ILE 28 3.787 -10.161 2.057
189 HG21 ILE 28 1HG2 ILE 28 -0.236 -11.518 2.421
190 HG22 ILE 28 2HG2 ILE 28 0.967 -12.157 3.542
191 HG23 ILE 28 3HG2 ILE 28 1.051 -12.570 1.829
192 HD11 ILE 28 3HD1 ILE 28 3.091 -10.671 4.486
193 HD12 ILE 28 1HD1 ILE 28 4.593 -11.391 3.906
194 HD13 ILE 28 2HD1 ILE 28 3.128 -12.366 4.001
195 HA PRO 29 HA PRO 29 3.168 -6.540 -0.727
196 HB2 PRO 29 2HB PRO 29 0.534 -5.462 -1.559
197 HB3 PRO 29 1HB PRO 29 2.044 -5.576 -2.476
198 HG2 PRO 29 2HG PRO 29 -0.013 -7.163 -2.989
199 HG3 PRO 29 1HG PRO 29 1.652 -7.769 -3.085
200 HD2 PRO 29 2HD PRO 29 -0.394 -8.182 -0.923
201 HD3 PRO 29 1HD PRO 29 0.794 -9.332 -1.575
202 H HIS 30 H HIS 30 3.564 -4.664 0.397
203 HA HIS 30 HA HIS 30 1.454 -3.744 2.260
204 HB2 HIS 30 1HB HIS 30 4.430 -3.863 2.799
205 HB3 HIS 30 2HB HIS 30 3.227 -3.130 3.857
206 HD1 HIS 30 HD1 HIS 30 4.403 -6.470 2.589
207 HD2 HIS 30 HD2 HIS 30 1.601 -4.957 5.277
208 HE1 HIS 30 HE1 HIS 30 3.551 -8.446 3.922
209 H CYS 31 H CYS 31 1.017 -1.609 2.232
210 HA CYS 31 HA CYS 31 1.621 0.036 0.140
211 HB2 CYS 31 2HB CYS 31 1.012 0.658 3.019
212 HB3 CYS 31 1HB CYS 31 1.244 1.943 1.844
213 H LYS 32 H LYS 32 3.492 0.750 -0.636
214 HA LYS 32 HA LYS 32 5.583 1.584 1.258
215 HB2 LYS 32 1HB LYS 32 6.025 -0.734 0.346
216 HB3 LYS 32 2HB LYS 32 6.144 -0.002 -1.245
217 HG2 LYS 32 1HG LYS 32 8.375 -0.011 -0.575
218 HG3 LYS 32 2HG LYS 32 7.872 1.604 -0.090
219 HD2 LYS 32 1HD LYS 32 7.482 0.832 2.206
220 HD3 LYS 32 2HD LYS 32 7.902 -0.814 1.741
221 HE2 LYS 32 1HE LYS 32 9.773 1.557 1.504
222 HE3 LYS 32 2HE LYS 32 9.779 0.417 2.850
223 HZ1 LYS 32 3HZ LYS 32 11.299 -0.575 1.520
224 HZ2 LYS 32 1HZ LYS 32 10.633 0.037 0.085
225 HZ3 LYS 32 2HZ LYS 32 9.904 -1.287 0.860
226 H LYS 33 H LYS 33 6.496 3.474 0.778
227 HA LYS 33 HA LYS 33 5.472 5.087 -1.295
228 HB2 LYS 33 1HB LYS 33 6.465 5.847 0.912
229 HB3 LYS 33 2HB LYS 33 8.042 5.591 0.178
230 HG2 LYS 33 1HG LYS 33 7.588 7.197 -1.562
231 HG3 LYS 33 2HG LYS 33 5.905 7.346 -1.061
232 HD2 LYS 33 1HD LYS 33 8.094 7.952 0.905
233 HD3 LYS 33 2HD LYS 33 7.639 9.160 -0.296
234 HE2 LYS 33 1HE LYS 33 5.273 8.994 0.468
235 HE3 LYS 33 2HE LYS 33 5.770 7.855 1.714
236 HZ1 LYS 33 3HZ LYS 33 6.082 10.714 1.610
237 HZ2 LYS 33 1HZ LYS 33 7.493 9.891 2.071
238 HZ3 LYS 33 2HZ LYS 33 6.056 9.671 2.950
239 H TYR 34 H TYR 34 6.295 5.705 -3.253
240 HA TYR 34 HA TYR 34 7.828 3.863 -4.721
241 HB2 TYR 34 2HB TYR 34 7.157 6.729 -5.200
242 HB3 TYR 34 1HB TYR 34 8.017 5.754 -6.383
243 HD1 TYR 34 1HD TYR 34 4.835 6.313 -4.642
244 HD2 TYR 34 2HD TYR 34 6.893 3.899 -7.526
245 HE1 TYR 34 1HE TYR 34 2.673 5.389 -5.400
246 HE2 TYR 34 2HE TYR 34 4.726 2.972 -8.295
247 HH TYR 34 HH TYR 34 1.950 4.250 -7.920
248 H LYS 35 H LYS 35 8.742 6.912 -3.213
249 HA LYS 35 HA LYS 35 11.568 6.103 -3.405
250 HB2 LYS 35 1HB LYS 35 10.414 8.829 -3.993
251 HB3 LYS 35 2HB LYS 35 12.131 8.495 -3.779
252 HG2 LYS 35 1HG LYS 35 12.203 7.076 -5.691
253 HG3 LYS 35 2HG LYS 35 10.446 6.988 -5.783
254 HD2 LYS 35 1HD LYS 35 11.316 8.499 -7.512
255 HD3 LYS 35 2HD LYS 35 10.356 9.393 -6.336
256 HE2 LYS 35 1HE LYS 35 12.544 10.494 -6.977
257 HE3 LYS 35 2HE LYS 35 12.339 10.237 -5.248
258 HZ1 LYS 35 3HZ LYS 35 13.661 8.226 -5.420
259 HZ2 LYS 35 1HZ LYS 35 14.536 9.554 -6.009
260 HZ3 LYS 35 2HZ LYS 35 13.834 8.452 -7.095
261 HA PRO 36 HA PRO 36 10.283 7.035 0.980
262 HB2 PRO 36 2HB PRO 36 12.472 5.048 1.391
263 HB3 PRO 36 1HB PRO 36 10.867 5.128 2.142
264 HG2 PRO 36 2HG PRO 36 11.414 3.317 0.284
265 HG3 PRO 36 1HG PRO 36 9.830 4.110 0.351
266 HD2 PRO 36 2HD PRO 36 12.114 4.615 -1.529
267 HD3 PRO 36 1HD PRO 36 10.364 4.636 -1.853
268 H TYR 37 H TYR 37 11.286 8.489 2.302
269 HA TYR 37 HA TYR 37 14.157 8.893 2.242
270 HB2 TYR 37 2HB TYR 37 13.550 11.468 1.827
271 HB3 TYR 37 1HB TYR 37 13.958 10.372 0.509
272 HD1 TYR 37 1HD TYR 37 10.862 10.935 2.584
273 HD2 TYR 37 2HD TYR 37 12.591 10.724 -1.344
274 HE1 TYR 37 1HE TYR 37 8.630 11.288 1.584
275 HE2 TYR 37 2HE TYR 37 10.354 11.086 -2.342
276 HH TYR 37 HH TYR 37 7.995 12.353 -1.158
277 H VAL 38 H VAL 38 14.748 10.780 3.722
278 HA VAL 38 HA VAL 38 12.756 11.159 5.858
279 HB VAL 38 HB VAL 38 14.128 9.290 6.584
280 HG11 VAL 38 1HG1 VAL 38 16.671 10.565 6.893
281 HG12 VAL 38 2HG1 VAL 38 16.171 10.734 5.209
282 HG13 VAL 38 3HG1 VAL 38 16.276 9.133 5.941
283 HG21 VAL 38 3HG2 VAL 38 14.398 10.113 8.698
284 HG22 VAL 38 1HG2 VAL 38 13.656 11.563 8.020
285 HG23 VAL 38 2HG2 VAL 38 15.411 11.450 8.152
286 HA PRO 39 HA PRO 39 14.963 15.074 4.458
287 HB2 PRO 39 2HB PRO 39 12.198 16.055 5.006
288 HB3 PRO 39 1HB PRO 39 13.284 16.439 3.655
289 HG2 PRO 39 2HG PRO 39 11.234 14.828 3.283
290 HG3 PRO 39 1HG PRO 39 12.803 14.468 2.537
291 HD2 PRO 39 2HD PRO 39 11.547 13.224 4.970
292 HD3 PRO 39 1HD PRO 39 12.465 12.451 3.656
293 H VAL 40 H VAL 40 12.650 14.490 7.046
294 HA VAL 40 HA VAL 40 14.427 15.790 8.961
295 HB VAL 40 HB VAL 40 12.983 17.626 8.186
296 HG11 VAL 40 1HG1 VAL 40 10.584 16.287 9.362
297 HG12 VAL 40 2HG1 VAL 40 11.080 15.813 7.738
298 HG13 VAL 40 3HG1 VAL 40 10.677 17.495 8.081
299 HG21 VAL 40 3HG2 VAL 40 13.478 16.874 10.801
300 HG22 VAL 40 1HG2 VAL 40 11.734 17.131 10.802
301 HG23 VAL 40 2HG2 VAL 40 12.816 18.432 10.305
302 H THR 41 H THR 41 14.197 15.025 11.044
303 HA THR 41 HA THR 41 12.958 12.476 11.353
304 HB THR 41 HB THR 41 13.702 12.653 13.696
305 HG1 THR 41 1HG THR 41 13.254 14.878 13.942
306 HG21 THR 41 3HG2 THR 41 15.889 13.845 12.008
307 HG22 THR 41 1HG2 THR 41 15.274 12.230 11.656
308 HG23 THR 41 2HG2 THR 41 15.998 12.574 13.228
309 H THR 42 H THR 42 11.961 15.748 11.958
310 HA THR 42 HA THR 42 10.007 16.657 12.752
311 HB THR 42 HB THR 42 8.269 14.382 12.611
312 HG1 THR 42 1HG THR 42 9.436 14.731 10.136
313 HG21 THR 42 3HG2 THR 42 7.676 16.748 12.185
314 HG22 THR 42 1HG2 THR 42 7.248 15.717 10.821
315 HG23 THR 42 2HG2 THR 42 8.688 16.732 10.741
Start of MODEL 20
1 HA ASP 1 HA ASP 1 -11.894 3.201 5.433
2 HB2 ASP 1 1HB ASP 1 -9.661 2.537 7.365
3 HB3 ASP 1 2HB ASP 1 -9.796 4.100 6.561
4 H CYS 2 H CYS 2 -8.536 2.517 5.814
5 HA CYS 2 HA CYS 2 -8.166 1.543 3.103
6 HB2 CYS 2 2HB CYS 2 -6.814 3.410 2.363
7 HB3 CYS 2 1HB CYS 2 -8.413 4.001 2.816
8 H ALA 3 H ALA 3 -5.771 1.307 2.617
9 HA ALA 3 HA ALA 3 -4.480 0.231 5.004
10 HB1 ALA 3 3HB ALA 3 -4.494 -0.401 2.193
11 HB2 ALA 3 1HB ALA 3 -3.878 -1.357 3.541
12 HB3 ALA 3 2HB ALA 3 -2.838 -0.172 2.754
13 H LYS 4 H LYS 4 -2.775 1.131 5.990
14 HA LYS 4 HA LYS 4 -1.728 3.650 4.900
15 HB2 LYS 4 1HB LYS 4 -1.415 2.395 7.633
16 HB3 LYS 4 2HB LYS 4 -0.793 3.974 7.148
17 HG2 LYS 4 1HG LYS 4 -3.058 4.771 6.683
18 HG3 LYS 4 2HG LYS 4 -3.721 3.181 7.059
19 HD2 LYS 4 1HD LYS 4 -4.054 4.312 9.074
20 HD3 LYS 4 2HD LYS 4 -2.502 3.529 9.359
21 HE2 LYS 4 1HE LYS 4 -2.368 5.868 10.050
22 HE3 LYS 4 2HE LYS 4 -1.349 5.624 8.632
23 HZ1 LYS 4 3HZ LYS 4 -2.623 6.958 7.406
24 HZ2 LYS 4 1HZ LYS 4 -3.279 7.503 8.873
25 HZ3 LYS 4 2HZ LYS 4 -4.070 6.285 7.993
26 H GLU 5 H GLU 5 0.674 4.041 5.358
27 HA GLU 5 HA GLU 5 2.271 2.425 3.829
28 HB2 GLU 5 1HB GLU 5 2.917 4.660 4.655
29 HB3 GLU 5 2HB GLU 5 3.163 3.976 6.263
30 HG2 GLU 5 1HG GLU 5 4.903 2.490 5.406
31 HG3 GLU 5 2HG GLU 5 4.612 3.060 3.763
32 H GLY 6 H GLY 6 3.131 0.462 4.013
33 HA2 GLY 6 1HA GLY 6 4.120 -1.395 5.006
34 HA3 GLY 6 2HA GLY 6 3.877 -0.659 6.580
35 H GLU 7 H GLU 7 1.011 -0.449 4.926
36 HA GLU 7 HA GLU 7 -0.072 -2.733 6.423
37 HB2 GLU 7 1HB GLU 7 -1.078 -0.395 6.589
38 HB3 GLU 7 2HB GLU 7 -1.645 -0.628 4.936
39 HG2 GLU 7 1HG GLU 7 -3.433 -1.296 6.396
40 HG3 GLU 7 2HG GLU 7 -2.747 -2.762 5.704
41 H VAL 8 H VAL 8 -1.239 -4.383 5.468
42 HA VAL 8 HA VAL 8 -0.441 -5.251 2.949
43 HB VAL 8 HB VAL 8 -2.901 -5.992 4.539
44 HG11 VAL 8 1HG1 VAL 8 -3.298 -6.677 2.273
45 HG12 VAL 8 2HG1 VAL 8 -2.732 -8.109 3.128
46 HG13 VAL 8 3HG1 VAL 8 -1.632 -7.220 2.076
47 HG21 VAL 8 3HG2 VAL 8 -1.584 -7.690 5.486
48 HG22 VAL 8 1HG2 VAL 8 -0.459 -6.335 5.415
49 HG23 VAL 8 2HG2 VAL 8 -0.384 -7.610 4.198
50 H CYS 9 H CYS 9 -1.132 -4.907 0.877
51 HA CYS 9 HA CYS 9 -3.668 -3.398 0.545
52 HB2 CYS 9 2HB CYS 9 -2.629 -2.066 -1.210
53 HB3 CYS 9 1HB CYS 9 -1.700 -1.903 0.278
54 H SER 10 H SER 10 -3.308 -3.310 -2.324
55 HA SER 10 HA SER 10 -3.802 -4.542 -4.190
56 HB2 SER 10 1HB SER 10 -2.651 -6.952 -2.785
57 HB3 SER 10 2HB SER 10 -2.707 -6.614 -4.513
58 HG SER 10 HG SER 10 -0.848 -5.707 -4.241
59 H TRP 11 H TRP 11 -4.177 -7.639 -3.394
60 HA TRP 11 HA TRP 11 -6.953 -7.698 -3.668
61 HB2 TRP 11 2HB TRP 11 -6.815 -10.022 -3.106
62 HB3 TRP 11 1HB TRP 11 -5.331 -9.624 -3.970
63 HD1 TRP 11 1HD TRP 11 -3.070 -9.495 -2.564
64 HE1 TRP 11 1HE TRP 11 -2.429 -10.435 -0.250
65 HE3 TRP 11 3HE TRP 11 -7.710 -10.566 -0.733
66 HZ2 TRP 11 2HZ TRP 11 -3.715 -11.504 2.071
67 HZ3 TRP 11 3HZ TRP 11 -7.978 -11.547 1.531
68 HH2 TRP 11 2HH TRP 11 -5.985 -12.018 2.933
69 H GLY 12 H GLY 12 -4.923 -7.436 -0.806
70 HA2 GLY 12 1HA GLY 12 -6.875 -8.014 1.149
71 HA3 GLY 12 2HA GLY 12 -5.434 -7.035 1.403
72 H LYS 13 H LYS 13 -5.961 -4.989 -0.456
73 HA LYS 13 HA LYS 13 -8.487 -3.807 -0.332
74 HB2 LYS 13 1HB LYS 13 -7.129 -3.726 2.199
75 HB3 LYS 13 2HB LYS 13 -7.240 -2.091 1.548
76 HG2 LYS 13 1HG LYS 13 -9.664 -2.417 1.164
77 HG3 LYS 13 2HG LYS 13 -9.549 -4.030 1.866
78 HD2 LYS 13 1HD LYS 13 -10.008 -3.012 3.836
79 HD3 LYS 13 2HD LYS 13 -8.334 -2.458 3.780
80 HE2 LYS 13 1HE LYS 13 -9.675 -0.501 4.118
81 HE3 LYS 13 2HE LYS 13 -9.165 -0.467 2.431
82 HZ1 LYS 13 3HZ LYS 13 -11.544 -1.949 2.651
83 HZ2 LYS 13 1HZ LYS 13 -11.271 -0.507 1.802
84 HZ3 LYS 13 2HZ LYS 13 -11.762 -0.453 3.429
85 H LYS 14 H LYS 14 -8.030 -1.154 -0.181
86 HA LYS 14 HA LYS 14 -5.975 -0.707 -2.261
87 HB2 LYS 14 1HB LYS 14 -8.446 0.883 -1.522
88 HB3 LYS 14 2HB LYS 14 -7.282 1.358 -2.759
89 HG2 LYS 14 1HG LYS 14 -7.728 -0.749 -3.979
90 HG3 LYS 14 2HG LYS 14 -8.912 -1.202 -2.751
91 HD2 LYS 14 1HD LYS 14 -10.229 0.826 -3.275
92 HD3 LYS 14 2HD LYS 14 -9.051 1.263 -4.514
93 HE2 LYS 14 1HE LYS 14 -9.529 -0.829 -5.724
94 HE3 LYS 14 2HE LYS 14 -10.698 -1.284 -4.484
95 HZ1 LYS 14 3HZ LYS 14 -11.002 0.502 -6.688
96 HZ2 LYS 14 1HZ LYS 14 -11.417 1.249 -5.222
97 HZ3 LYS 14 2HZ LYS 14 -12.188 -0.192 -5.688
98 H CYS 15 H CYS 15 -4.308 0.605 -1.905
99 HA CYS 15 HA CYS 15 -3.706 1.444 0.748
100 HB2 CYS 15 2HB CYS 15 -2.100 0.833 -1.201
101 HB3 CYS 15 1HB CYS 15 -2.338 2.502 -1.706
102 H CYS 16 H CYS 16 -4.176 3.301 1.753
103 HA CYS 16 HA CYS 16 -6.041 5.123 1.008
104 HB2 CYS 16 2HB CYS 16 -4.165 4.917 3.081
105 HB3 CYS 16 1HB CYS 16 -3.923 6.522 2.392
106 H ASP 17 H ASP 17 -2.649 5.168 0.122
107 HA ASP 17 HA ASP 17 -3.278 7.224 -1.896
108 HB2 ASP 17 1HB ASP 17 -1.013 7.213 0.085
109 HB3 ASP 17 2HB ASP 17 -0.891 8.081 -1.441
110 H LEU 18 H LEU 18 -3.371 5.573 -3.450
111 HA LEU 18 HA LEU 18 -1.243 3.717 -3.862
112 HB2 LEU 18 1HB LEU 18 -3.559 4.628 -5.567
113 HB3 LEU 18 2HB LEU 18 -2.394 3.424 -6.123
114 HG LEU 18 HG LEU 18 -3.766 3.121 -3.453
115 HD11 LEU 18 1HD1 LEU 18 -5.378 1.598 -4.729
116 HD12 LEU 18 2HD1 LEU 18 -4.816 2.394 -6.198
117 HD13 LEU 18 3HD1 LEU 18 -5.626 3.330 -4.942
118 HD21 LEU 18 3HD2 LEU 18 -2.790 1.061 -3.453
119 HD22 LEU 18 1HD2 LEU 18 -1.771 1.672 -4.758
120 HD23 LEU 18 2HD2 LEU 18 -3.238 0.768 -5.131
121 H ASP 19 H ASP 19 -1.744 7.002 -4.727
122 HA ASP 19 HA ASP 19 0.005 7.033 -7.006
123 HB2 ASP 19 1HB ASP 19 -1.130 9.229 -5.266
124 HB3 ASP 19 2HB ASP 19 -0.131 9.525 -6.687
125 H ASN 20 H ASN 20 0.341 7.632 -3.549
126 HA ASN 20 HA ASN 20 3.161 8.365 -3.927
127 HB2 ASN 20 1HB ASN 20 1.412 8.442 -1.463
128 HB3 ASN 20 2HB ASN 20 3.084 8.981 -1.531
129 HD21 ASN 20 1HD2 ASN 20 0.380 11.650 -2.298
130 HD22 ASN 20 2HD2 ASN 20 0.271 10.348 -1.220
131 H PHE 21 H PHE 21 1.230 5.680 -3.211
132 HA PHE 21 HA PHE 21 3.590 4.199 -2.263
133 HB2 PHE 21 2HB PHE 21 0.784 3.957 -1.160
134 HB3 PHE 21 1HB PHE 21 2.125 2.883 -0.761
135 HD1 PHE 21 1HD PHE 21 1.045 6.441 -0.681
136 HD2 PHE 21 2HD PHE 21 3.732 3.496 0.876
137 HE1 PHE 21 1HE PHE 21 1.785 8.044 1.057
138 HE2 PHE 21 2HE PHE 21 4.483 5.091 2.609
139 HZ PHE 21 HZ PHE 21 3.514 7.371 2.701
140 H TYR 22 H TYR 22 3.559 1.929 -2.734
141 HA TYR 22 HA TYR 22 1.662 1.138 -4.853
142 HB2 TYR 22 2HB TYR 22 3.504 0.110 -6.103
143 HB3 TYR 22 1HB TYR 22 3.801 1.836 -5.890
144 HD1 TYR 22 1HD TYR 22 4.657 -1.540 -4.579
145 HD2 TYR 22 2HD TYR 22 5.645 2.635 -4.692
146 HE1 TYR 22 1HE TYR 22 6.813 -2.026 -3.605
147 HE2 TYR 22 2HE TYR 22 7.798 2.133 -3.650
148 HH TYR 22 HH TYR 22 8.983 0.527 -2.516
149 H CYS 23 H CYS 23 1.843 -1.279 -5.285
150 HA CYS 23 HA CYS 23 1.952 -2.632 -2.687
151 HB2 CYS 23 2HB CYS 23 0.478 -3.271 -5.233
152 HB3 CYS 23 1HB CYS 23 0.642 -4.406 -3.890
153 HA PRO 24 HA PRO 24 5.889 -4.314 -4.327
154 HB2 PRO 24 2HB PRO 24 5.514 -5.978 -1.869
155 HB3 PRO 24 1HB PRO 24 6.940 -5.084 -2.419
156 HG2 PRO 24 2HG PRO 24 5.456 -4.170 -0.454
157 HG3 PRO 24 1HG PRO 24 6.162 -3.086 -1.657
158 HD2 PRO 24 2HD PRO 24 3.352 -3.982 -1.343
159 HD3 PRO 24 1HD PRO 24 4.006 -2.431 -1.891
160 H MET 25 H MET 25 6.402 -6.166 -5.431
161 HA MET 25 HA MET 25 4.229 -7.941 -6.119
162 HB2 MET 25 1HB MET 25 7.134 -7.843 -6.943
163 HB3 MET 25 2HB MET 25 5.997 -9.054 -7.538
164 HG2 MET 25 1HG MET 25 4.572 -7.330 -8.486
165 HG3 MET 25 2HG MET 25 5.565 -6.064 -7.769
166 HE1 MET 25 3HE MET 25 5.135 -8.862 -10.162
167 HE2 MET 25 1HE MET 25 6.730 -9.475 -9.703
168 HE3 MET 25 2HE MET 25 6.471 -8.799 -11.309
169 H GLU 26 H GLU 26 4.004 -8.684 -3.803
170 HA GLU 26 HA GLU 26 5.583 -11.125 -3.431
171 HB2 GLU 26 1HB GLU 26 5.049 -9.022 -1.322
172 HB3 GLU 26 2HB GLU 26 5.667 -10.638 -0.978
173 HG2 GLU 26 1HG GLU 26 7.621 -10.218 -2.401
174 HG3 GLU 26 2HG GLU 26 6.997 -8.623 -2.814
175 H PHE 27 H PHE 27 4.530 -12.347 -1.491
176 HA PHE 27 HA PHE 27 1.953 -13.146 -2.262
177 HB2 PHE 27 2HB PHE 27 3.442 -14.610 -0.974
178 HB3 PHE 27 1HB PHE 27 3.320 -13.530 0.414
179 HD1 PHE 27 1HD PHE 27 1.215 -15.556 -1.927
180 HD2 PHE 27 2HD PHE 27 1.586 -13.813 1.980
181 HE1 PHE 27 1HE PHE 27 -0.862 -16.708 -1.215
182 HE2 PHE 27 2HE PHE 27 -0.491 -14.962 2.690
183 HZ PHE 27 HZ PHE 27 -1.717 -16.410 1.094
184 H ILE 28 H ILE 28 3.019 -11.034 0.382
185 HA ILE 28 HA ILE 28 0.254 -10.001 0.579
186 HB ILE 28 HB ILE 28 0.934 -9.530 3.020
187 HG12 ILE 28 1HG1 ILE 28 2.782 -11.856 2.432
188 HG13 ILE 28 2HG1 ILE 28 3.347 -10.192 2.570
189 HG21 ILE 28 1HG2 ILE 28 0.043 -12.041 1.707
190 HG22 ILE 28 2HG2 ILE 28 -0.771 -11.054 2.920
191 HG23 ILE 28 3HG2 ILE 28 0.502 -12.176 3.406
192 HD11 ILE 28 3HD1 ILE 28 2.078 -11.919 4.698
193 HD12 ILE 28 1HD1 ILE 28 2.166 -10.166 4.865
194 HD13 ILE 28 2HD1 ILE 28 3.647 -11.118 4.742
195 HA PRO 29 HA PRO 29 3.211 -6.628 -0.706
196 HB2 PRO 29 2HB PRO 29 0.591 -5.591 -1.654
197 HB3 PRO 29 1HB PRO 29 2.150 -5.654 -2.498
198 HG2 PRO 29 2HG PRO 29 0.161 -7.305 -3.092
199 HG3 PRO 29 1HG PRO 29 1.846 -7.853 -3.134
200 HD2 PRO 29 2HD PRO 29 -0.285 -8.407 -1.108
201 HD3 PRO 29 1HD PRO 29 1.052 -9.441 -1.656
202 H HIS 30 H HIS 30 3.597 -4.739 0.381
203 HA HIS 30 HA HIS 30 1.466 -3.774 2.212
204 HB2 HIS 30 1HB HIS 30 4.443 -3.930 2.761
205 HB3 HIS 30 2HB HIS 30 3.262 -3.145 3.802
206 HD1 HIS 30 HD1 HIS 30 4.455 -6.519 2.718
207 HD2 HIS 30 HD2 HIS 30 1.494 -4.909 5.168
208 HE1 HIS 30 HE1 HIS 30 3.538 -8.440 4.087
209 H CYS 31 H CYS 31 1.041 -1.628 2.178
210 HA CYS 31 HA CYS 31 1.655 0.010 0.086
211 HB2 CYS 31 2HB CYS 31 1.068 0.647 2.964
212 HB3 CYS 31 1HB CYS 31 1.292 1.927 1.777
213 H LYS 32 H LYS 32 3.544 0.619 -0.710
214 HA LYS 32 HA LYS 32 5.662 1.439 1.173
215 HB2 LYS 32 1HB LYS 32 6.158 -0.796 0.199
216 HB3 LYS 32 2HB LYS 32 6.062 -0.084 -1.405
217 HG2 LYS 32 1HG LYS 32 8.401 -0.228 -0.689
218 HG3 LYS 32 2HG LYS 32 7.922 1.461 -0.829
219 HD2 LYS 32 1HD LYS 32 7.924 1.797 1.468
220 HD3 LYS 32 2HD LYS 32 7.596 0.101 1.823
221 HE2 LYS 32 1HE LYS 32 9.908 0.715 2.419
222 HE3 LYS 32 2HE LYS 32 9.881 -0.487 1.128
223 HZ1 LYS 32 3HZ LYS 32 11.290 1.746 0.989
224 HZ2 LYS 32 1HZ LYS 32 9.843 2.302 0.305
225 HZ3 LYS 32 2HZ LYS 32 10.651 0.974 -0.381
226 H LYS 33 H LYS 33 6.547 3.366 0.767
227 HA LYS 33 HA LYS 33 5.477 5.049 -1.240
228 HB2 LYS 33 1HB LYS 33 6.404 5.777 0.977
229 HB3 LYS 33 2HB LYS 33 8.015 5.513 0.313
230 HG2 LYS 33 1HG LYS 33 7.657 7.152 -1.422
231 HG3 LYS 33 2HG LYS 33 5.953 7.314 -0.999
232 HD2 LYS 33 1HD LYS 33 8.100 7.879 1.042
233 HD3 LYS 33 2HD LYS 33 7.633 9.114 -0.124
234 HE2 LYS 33 1HE LYS 33 5.226 8.785 0.627
235 HE3 LYS 33 2HE LYS 33 5.841 7.756 1.919
236 HZ1 LYS 33 3HZ LYS 33 7.303 9.678 2.530
237 HZ2 LYS 33 1HZ LYS 33 5.646 9.893 2.815
238 HZ3 LYS 33 2HZ LYS 33 6.376 10.627 1.470
239 H TYR 34 H TYR 34 6.207 5.683 -3.202
240 HA TYR 34 HA TYR 34 7.875 4.000 -4.712
241 HB2 TYR 34 2HB TYR 34 7.151 6.866 -5.106
242 HB3 TYR 34 1HB TYR 34 7.999 5.912 -6.313
243 HD1 TYR 34 1HD TYR 34 4.830 6.442 -4.540
244 HD2 TYR 34 2HD TYR 34 6.870 4.079 -7.476
245 HE1 TYR 34 1HE TYR 34 2.664 5.524 -5.297
246 HE2 TYR 34 2HE TYR 34 4.702 3.160 -8.245
247 HH TYR 34 HH TYR 34 2.505 3.170 -7.981
248 H LYS 35 H LYS 35 9.734 5.529 -6.011
249 HA LYS 35 HA LYS 35 11.630 6.395 -3.932
250 HB2 LYS 35 1HB LYS 35 13.423 5.164 -5.204
251 HB3 LYS 35 2HB LYS 35 12.273 4.137 -4.350
252 HG2 LYS 35 1HG LYS 35 11.664 4.874 -7.188
253 HG3 LYS 35 2HG LYS 35 12.911 3.664 -6.895
254 HD2 LYS 35 1HD LYS 35 11.279 2.377 -5.498
255 HD3 LYS 35 2HD LYS 35 10.026 3.540 -5.928
256 HE2 LYS 35 1HE LYS 35 10.361 3.013 -8.311
257 HE3 LYS 35 2HE LYS 35 11.596 1.831 -7.869
258 HZ1 LYS 35 3HZ LYS 35 9.840 0.776 -6.439
259 HZ2 LYS 35 1HZ LYS 35 9.596 0.640 -8.113
260 HZ3 LYS 35 2HZ LYS 35 8.707 1.777 -7.216
261 HA PRO 36 HA PRO 36 11.439 9.115 -7.755
262 HB2 PRO 36 2HB PRO 36 10.602 11.395 -6.490
263 HB3 PRO 36 1HB PRO 36 9.484 10.193 -7.165
264 HG2 PRO 36 2HG PRO 36 10.329 10.622 -4.345
265 HG3 PRO 36 1HG PRO 36 8.742 10.180 -4.997
266 HD2 PRO 36 2HD PRO 36 10.460 8.377 -3.852
267 HD3 PRO 36 1HD PRO 36 9.255 7.935 -5.082
268 H TYR 37 H TYR 37 13.054 10.569 -8.332
269 HA TYR 37 HA TYR 37 15.031 11.212 -6.224
270 HB2 TYR 37 2HB TYR 37 15.477 10.770 -9.186
271 HB3 TYR 37 1HB TYR 37 16.723 11.163 -8.000
272 HD1 TYR 37 1HD TYR 37 14.321 8.590 -9.117
273 HD2 TYR 37 2HD TYR 37 17.521 9.517 -6.407
274 HE1 TYR 37 1HE TYR 37 14.536 6.189 -8.555
275 HE2 TYR 37 2HE TYR 37 17.740 7.111 -5.843
276 HH TYR 37 HH TYR 37 15.397 4.810 -6.672
277 H VAL 38 H VAL 38 12.629 12.595 -7.907
278 HA VAL 38 HA VAL 38 14.008 15.210 -7.997
279 HB VAL 38 HB VAL 38 12.673 15.794 -9.980
280 HG11 VAL 38 1HG1 VAL 38 14.060 14.683 -11.518
281 HG12 VAL 38 2HG1 VAL 38 14.045 13.183 -10.591
282 HG13 VAL 38 3HG1 VAL 38 14.982 14.565 -10.017
283 HG21 VAL 38 3HG2 VAL 38 10.807 14.568 -10.336
284 HG22 VAL 38 1HG2 VAL 38 11.376 13.278 -9.278
285 HG23 VAL 38 2HG2 VAL 38 11.868 13.310 -10.972
286 HA PRO 39 HA PRO 39 10.035 15.204 -5.501
287 HB2 PRO 39 2HB PRO 39 11.141 16.001 -3.131
288 HB3 PRO 39 1HB PRO 39 10.973 14.299 -3.605
289 HG2 PRO 39 2HG PRO 39 13.361 16.072 -3.716
290 HG3 PRO 39 1HG PRO 39 13.244 14.364 -3.267
291 HD2 PRO 39 2HD PRO 39 14.120 15.204 -5.709
292 HD3 PRO 39 1HD PRO 39 13.309 13.644 -5.456
293 H VAL 40 H VAL 40 12.626 17.373 -6.113
294 HA VAL 40 HA VAL 40 11.593 19.750 -4.990
295 HB VAL 40 HB VAL 40 13.936 19.434 -5.834
296 HG11 VAL 40 1HG1 VAL 40 12.767 20.006 -8.561
297 HG12 VAL 40 2HG1 VAL 40 13.071 18.358 -8.011
298 HG13 VAL 40 3HG1 VAL 40 14.408 19.496 -8.158
299 HG21 VAL 40 3HG2 VAL 40 12.475 21.767 -7.111
300 HG22 VAL 40 1HG2 VAL 40 14.163 21.722 -6.597
301 HG23 VAL 40 2HG2 VAL 40 12.873 21.681 -5.394
302 H THR 41 H THR 41 10.908 18.057 -7.972
303 HA THR 41 HA THR 41 9.622 20.142 -9.374
304 HB THR 41 HB THR 41 10.341 17.825 -10.232
305 HG1 THR 41 1HG THR 41 8.970 18.102 -11.866
306 HG21 THR 41 3HG2 THR 41 7.543 17.043 -9.447
307 HG22 THR 41 1HG2 THR 41 8.901 16.728 -8.367
308 HG23 THR 41 2HG2 THR 41 8.872 16.009 -9.978
309 H THR 42 H THR 42 8.586 18.066 -6.773
310 HA THR 42 HA THR 42 5.820 19.052 -7.022
311 HB THR 42 HB THR 42 6.560 17.032 -4.967
312 HG1 THR 42 1HG THR 42 6.089 15.622 -7.044
313 HG21 THR 42 3HG2 THR 42 4.227 18.021 -5.590
314 HG22 THR 42 1HG2 THR 42 4.370 16.281 -5.337
315 HG23 THR 42 2HG2 THR 42 4.322 16.933 -6.975