Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
2107 | 1bei RC | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ARG 1 1H ARG 1 -1.294 17.714 17.714
2 2H ARG 1 3H ARG 1 0.285 18.317 18.317
3 3H ARG 1 2H ARG 1 -0.494 18.302 18.302
4 HA ARG 1 HA ARG 1 0.238 16.219 16.219
5 1HB ARG 1 2HB ARG 1 2.204 16.996 16.996
6 2HB ARG 1 1HB ARG 1 1.334 16.266 16.266
7 1HG ARG 1 2HG ARG 1 1.405 14.056 14.056
8 2HG ARG 1 1HG ARG 1 2.449 14.813 14.813
9 1HD ARG 1 2HD ARG 1 4.114 15.315 15.315
10 2HD ARG 1 1HD ARG 1 3.012 14.491 14.491
11 HE ARG 1 HE ARG 1 3.320 12.403 12.403
12 1HH1 ARG 1 1HH2 ARG 1 5.099 14.723 14.723
13 2HH1 ARG 1 2HH2 ARG 1 6.584 13.849 13.849
14 1HH2 ARG 1 1HH1 ARG 1 5.160 11.305 11.305
15 2HH2 ARG 1 2HH1 ARG 1 6.647 11.725 11.725
16 H SER 2 H SER 2 -1.883 15.438 15.438
17 HA SER 2 HA SER 2 -2.987 14.176 14.176
18 1HB SER 2 2HB SER 2 -4.629 15.215 15.215
19 2HB SER 2 1HB SER 2 -5.159 14.899 14.899
20 HG SER 2 HG SER 2 -4.744 17.016 17.016
21 H CYS 3 H CYS 3 -2.916 11.950 11.950
22 HA CYS 3 HA CYS 3 -3.321 10.740 10.740
23 1HB CYS 3 2HB CYS 3 -1.568 9.097 9.097
24 2HB CYS 3 1HB CYS 3 -0.980 10.670 10.670
25 H ILE 4 H ILE 4 -4.338 8.776 8.776
26 HA ILE 4 HA ILE 4 -5.561 8.067 8.067
27 HB ILE 4 HB ILE 4 -7.807 7.977 7.977
28 1HG1 ILE 4 2HG1 ILE 4 -7.813 9.374 9.374
29 2HG1 ILE 4 1HG1 ILE 4 -6.273 8.564 8.564
30 1HG2 ILE 4 1HG2 ILE 4 -7.120 10.094 10.094
31 2HG2 ILE 4 3HG2 ILE 4 -6.479 10.686 10.686
32 3HG2 ILE 4 2HG2 ILE 4 -8.198 10.408 10.408
33 1HD1 ILE 4 3HD1 ILE 4 -8.887 7.131 7.131
34 2HD1 ILE 4 2HD1 ILE 4 -8.098 7.190 7.190
35 3HD1 ILE 4 1HD1 ILE 4 -7.342 6.350 6.350
36 H ASP 5 H ASP 5 -6.010 5.932 5.932
37 HA ASP 5 HA ASP 5 -4.714 4.073 4.073
38 1HB ASP 5 2HB ASP 5 -6.654 3.357 3.357
39 2HB ASP 5 1HB ASP 5 -5.375 2.359 2.359
40 H THR 6 H THR 6 -5.816 2.401 2.401
41 HA THR 6 HA THR 6 -8.762 2.616 2.616
42 HB THR 6 HB THR 6 -7.797 4.176 4.176
43 HG1 THR 6 1HG THR 6 -8.844 1.715 1.715
44 1HG2 THR 6 1HG2 THR 6 -6.255 1.751 1.751
45 2HG2 THR 6 3HG2 THR 6 -6.289 3.355 3.355
46 3HG2 THR 6 2HG2 THR 6 -5.499 3.096 3.096
47 H ILE 7 H ILE 7 -6.836 0.932 0.932
48 HA ILE 7 HA ILE 7 -7.396 -1.625 -1.625
49 HB ILE 7 HB ILE 7 -5.033 -0.753 -0.753
50 1HG1 ILE 7 2HG1 ILE 7 -3.782 -2.742 -2.742
51 2HG1 ILE 7 1HG1 ILE 7 -5.334 -3.309 -3.309
52 1HG2 ILE 7 3HG2 ILE 7 -4.925 0.430 0.430
53 2HG2 ILE 7 2HG2 ILE 7 -4.893 -1.120 -1.120
54 3HG2 ILE 7 1HG2 ILE 7 -3.602 -0.666 -0.666
55 1HD1 ILE 7 3HD1 ILE 7 -6.144 -3.306 -3.306
56 2HD1 ILE 7 2HD1 ILE 7 -4.544 -2.781 -2.781
57 3HD1 ILE 7 1HD1 ILE 7 -4.764 -4.361 -4.361
58 HA PRO 8 HA PRO 8 -8.447 -2.960 -2.960
59 1HB PRO 8 2HB PRO 8 -8.099 -5.616 -5.616
60 2HB PRO 8 1HB PRO 8 -9.534 -4.844 -4.844
61 1HG PRO 8 2HG PRO 8 -6.843 -5.351 -5.351
62 2HG PRO 8 1HG PRO 8 -8.442 -5.940 -5.940
63 1HD PRO 8 2HD PRO 8 -7.622 -3.675 -3.675
64 2HD PRO 8 1HD PRO 8 -9.267 -3.693 -3.693
65 H LYS 9 H LYS 9 -7.052 -2.549 -2.549
66 HA LYS 9 HA LYS 9 -4.248 -2.479 -2.479
67 1HB LYS 9 2HB LYS 9 -5.638 -1.484 -1.484
68 2HB LYS 9 1HB LYS 9 -5.893 -3.092 -3.092
69 1HG LYS 9 2HG LYS 9 -3.055 -2.310 -2.310
70 2HG LYS 9 1HG LYS 9 -3.861 -1.525 -1.525
71 1HD LYS 9 2HD LYS 9 -4.186 -3.681 -3.681
72 2HD LYS 9 1HD LYS 9 -3.664 -4.537 -4.537
73 1HE LYS 9 2HE LYS 9 -1.752 -4.372 -4.372
74 2HE LYS 9 1HE LYS 9 -1.389 -3.524 -3.524
75 1HZ LYS 9 3HZ LYS 9 -2.709 -1.717 -1.717
76 2HZ LYS 9 2HZ LYS 9 -1.447 -2.444 -2.444
77 3HZ LYS 9 1HZ LYS 9 -1.135 -1.625 -1.625
78 H SER 10 H SER 10 -6.440 -4.884 -4.884
79 HA SER 10 HA SER 10 -5.106 -6.958 -6.958
80 1HB SER 10 2HB SER 10 -6.857 -7.613 -7.613
81 2HB SER 10 1HB SER 10 -7.012 -8.218 -8.218
82 HG SER 10 HG SER 10 -8.537 -6.701 -6.701
83 H ARG 11 H ARG 11 -5.000 -5.830 -5.830
84 HA ARG 11 HA ARG 11 -3.253 -7.926 -7.926
85 1HB ARG 11 2HB ARG 11 -5.044 -6.268 -6.268
86 2HB ARG 11 1HB ARG 11 -3.634 -5.234 -5.234
87 1HG ARG 11 2HG ARG 11 -3.832 -6.452 -6.452
88 2HG ARG 11 1HG ARG 11 -2.413 -6.937 -6.937
89 1HD ARG 11 2HD ARG 11 -3.488 -8.971 -8.971
90 2HD ARG 11 1HD ARG 11 -5.004 -8.531 -8.531
91 HE ARG 11 HE ARG 11 -2.437 -8.962 -8.962
92 1HH1 ARG 11 1HH2 ARG 11 -4.818 -8.129 -8.129
93 2HH1 ARG 11 2HH2 ARG 11 -5.433 -9.594 -9.594
94 1HH2 ARG 11 2HH1 ARG 11 -3.539 -11.458 -11.458
95 2HH2 ARG 11 1HH1 ARG 11 -4.661 -11.679 -11.679
96 H CYS 12 H CYS 12 -2.976 -4.685 -4.685
97 HA CYS 12 HA CYS 12 -0.016 -4.798 -4.798
98 1HB CYS 12 2HB CYS 12 -1.938 -2.604 -2.604
99 2HB CYS 12 1HB CYS 12 -0.551 -2.412 -2.412
100 H THR 13 H THR 13 -0.965 -6.653 -6.653
101 HA THR 13 HA THR 13 -0.766 -6.001 -6.001
102 HB THR 13 HB THR 13 -2.036 -8.009 -8.009
103 HG1 THR 13 1HG THR 13 -0.125 -9.498 -9.498
104 1HG2 THR 13 3HG2 THR 13 0.554 -9.074 -9.074
105 2HG2 THR 13 2HG2 THR 13 -0.976 -9.936 -9.936
106 3HG2 THR 13 1HG2 THR 13 -0.882 -8.543 -8.543
107 H ALA 14 H ALA 14 0.974 -7.038 -7.038
108 HA ALA 14 HA ALA 14 3.462 -5.821 -5.821
109 1HB ALA 14 3HB ALA 14 2.979 -8.341 -8.341
110 2HB ALA 14 2HB ALA 14 4.414 -7.334 -7.334
111 3HB ALA 14 1HB ALA 14 2.871 -6.691 -6.691
112 H PHE 15 H PHE 15 2.163 -8.683 -8.683
113 HA PHE 15 HA PHE 15 4.648 -9.912 -9.912
114 1HB PHE 15 2HB PHE 15 2.034 -10.885 -10.885
115 2HB PHE 15 1HB PHE 15 3.371 -11.786 -11.786
116 HD1 PHE 15 1HD PHE 15 3.630 -10.579 -10.579
117 HD2 PHE 15 2HD PHE 15 0.150 -11.651 -11.651
118 HE1 PHE 15 1HE PHE 15 2.378 -10.875 -10.875
119 HE2 PHE 15 2HE PHE 15 -1.092 -11.939 -11.939
120 HZ PHE 15 HZ PHE 15 0.017 -11.547 -11.547
121 H GLN 16 H GLN 16 2.378 -7.736 -7.736
122 HA GLN 16 HA GLN 16 3.748 -7.989 -7.989
123 1HB GLN 16 2HB GLN 16 1.043 -6.851 -6.851
124 2HB GLN 16 1HB GLN 16 1.799 -7.744 -7.744
125 1HG GLN 16 2HG GLN 16 1.900 -9.680 -9.680
126 2HG GLN 16 1HG GLN 16 0.393 -8.886 -8.886
127 1HE2 GLN 16 2HE2 GLN 16 0.658 -10.935 -10.935
128 2HE2 GLN 16 1HE2 GLN 16 2.053 -10.682 -10.682
129 H CYS 17 H CYS 17 3.127 -6.117 -6.117
130 HA CYS 17 HA CYS 17 2.917 -3.467 -3.467
131 1HB CYS 17 2HB CYS 17 2.214 -4.101 -4.101
132 2HB CYS 17 1HB CYS 17 3.884 -4.171 -4.171
133 H LYS 18 H LYS 18 5.563 -5.292 -5.292
134 HA LYS 18 HA LYS 18 7.492 -3.354 -3.354
135 1HB LYS 18 2HB LYS 18 7.642 -3.497 -3.497
136 2HB LYS 18 1HB LYS 18 7.753 -5.237 -5.237
137 1HG LYS 18 2HG LYS 18 10.007 -5.077 -5.077
138 2HG LYS 18 1HG LYS 18 9.896 -3.325 -3.325
139 1HD LYS 18 2HD LYS 18 10.074 -3.290 -3.290
140 2HD LYS 18 1HD LYS 18 9.475 -4.925 -4.925
141 1HE LYS 18 2HE LYS 18 11.901 -4.818 -4.818
142 2HE LYS 18 1HE LYS 18 11.563 -5.865 -5.865
143 1HZ LYS 18 3HZ LYS 18 11.979 -3.249 -3.249
144 2HZ LYS 18 2HZ LYS 18 13.253 -3.638 -3.638
145 3HZ LYS 18 1HZ LYS 18 12.906 -4.638 -4.638
146 H HIS 19 H HIS 19 6.003 -5.599 -5.599
147 HA HIS 19 HA HIS 19 8.225 -7.158 -7.158
148 1HB HIS 19 2HB HIS 19 5.979 -8.163 -8.163
149 2HB HIS 19 1HB HIS 19 6.195 -9.063 -9.063
150 HD1 HIS 19 1HD HIS 19 8.572 -10.026 -10.026
151 HD2 HIS 19 2HD HIS 19 7.755 -8.659 -8.659
152 HE1 HIS 19 1HE HIS 19 10.265 -10.956 -10.956
153 H SER 20 H SER 20 4.845 -6.302 -6.302
154 HA SER 20 HA SER 20 4.970 -6.474 -6.474
155 1HB SER 20 2HB SER 20 2.471 -6.427 -6.427
156 2HB SER 20 1HB SER 20 2.575 -6.866 -6.866
157 HG SER 20 HG SER 20 4.306 -8.310 -8.310
158 H MET 21 H MET 21 5.985 -4.359 -4.359
159 HA MET 21 HA MET 21 4.607 -1.938 -1.938
160 1HB MET 21 2HB MET 21 6.231 -0.848 -0.848
161 2HB MET 21 1HB MET 21 7.047 -1.985 -1.985
162 1HG MET 21 2HG MET 21 7.722 -3.239 -3.239
163 2HG MET 21 1HG MET 21 6.119 -3.392 -3.392
164 1HE MET 21 3HE MET 21 4.962 -1.351 -1.351
165 2HE MET 21 2HE MET 21 5.876 0.119 0.119
166 3HE MET 21 1HE MET 21 5.608 -0.423 -0.423
167 1HN DNP 22 HN DAP 22 4.009 -4.155 -4.155
168 HA DNP 22 HA DAP 22 2.711 -2.452 -2.452
169 1HB DNP 22 1HB DAP 22 2.900 -4.800 -4.800
170 2HB DNP 22 2HB DAP 22 1.186 -4.449 -4.449
171 1HG DNP 22 1HG DAP 22 2.149 -5.119 -5.119
172 2HG DNP 22 2HG DAP 22 2.748 -6.302 -6.302
173 3HG DNP 22 3HG DAP 22 1.083 -5.993 -5.993
174 H TYR 23 H TYR 23 1.933 -3.136 -3.136
175 HA TYR 23 HA TYR 23 -0.726 -1.881 -1.881
176 1HB TYR 23 2HB TYR 23 0.175 -3.562 -3.562
177 2HB TYR 23 1HB TYR 23 -1.461 -3.157 -3.157
178 HD1 TYR 23 2HD TYR 23 -1.662 -4.014 -4.014
179 HD2 TYR 23 1HD TYR 23 0.290 -5.838 -5.838
180 HE1 TYR 23 2HE TYR 23 -1.935 -6.216 -6.216
181 HE2 TYR 23 1HE TYR 23 0.027 -8.030 -8.030
182 HH TYR 23 HH TYR 23 -0.936 -8.527 -8.527
183 H ARG 24 H ARG 24 1.900 -2.318 -2.318
184 HA ARG 24 HA ARG 24 1.612 0.049 0.049
185 1HB ARG 24 2HB ARG 24 3.100 -2.229 -2.229
186 2HB ARG 24 1HB ARG 24 4.345 -1.161 -1.161
187 1HG ARG 24 2HG ARG 24 2.682 0.000 0.000
188 2HG ARG 24 1HG ARG 24 3.554 -1.400 -1.400
189 1HD ARG 24 2HD ARG 24 5.273 0.393 0.393
190 2HD ARG 24 1HD ARG 24 4.481 1.230 1.230
191 HE ARG 24 HE ARG 24 6.085 -1.263 -1.263
192 1HH1 ARG 24 1HH2 ARG 24 4.222 -0.352 -0.352
193 2HH1 ARG 24 2HH2 ARG 24 5.195 0.485 0.485
194 1HH2 ARG 24 2HH1 ARG 24 7.774 0.644 0.644
195 2HH2 ARG 24 1HH1 ARG 24 7.483 1.096 1.096
196 H LEU 25 H LEU 25 2.300 0.047 0.047
197 HA LEU 25 HA LEU 25 4.278 2.190 2.190
198 1HB LEU 25 2HB LEU 25 4.162 0.757 0.757
199 2HB LEU 25 1HB LEU 25 2.490 0.731 0.731
200 HG LEU 25 HG LEU 25 3.255 3.501 3.501
201 1HD1 LEU 25 1HD1 LEU 25 5.618 2.773 2.773
202 2HD1 LEU 25 3HD1 LEU 25 5.189 1.675 1.675
203 3HD1 LEU 25 2HD1 LEU 25 5.009 3.399 3.399
204 1HD2 LEU 25 3HD2 LEU 25 1.483 2.235 2.235
205 2HD2 LEU 25 2HD2 LEU 25 2.596 3.019 3.019
206 3HD2 LEU 25 1HD2 LEU 25 2.735 1.295 1.295
207 H SER 26 H SER 26 1.280 2.276 2.276
208 HA SER 26 HA SER 26 0.437 4.649 4.649
209 1HB SER 26 2HB SER 26 1.218 4.688 4.688
210 2HB SER 26 1HB SER 26 -0.528 4.981 4.981
211 HG SER 26 HG SER 26 1.406 6.646 6.646
212 H PHE 27 H PHE 27 -0.339 1.599 1.599
213 HA PHE 27 HA PHE 27 -3.227 2.056 2.056
214 1HB PHE 27 2HB PHE 27 -1.897 -0.485 -0.485
215 2HB PHE 27 1HB PHE 27 -3.499 -0.303 -0.303
216 HD1 PHE 27 1HD PHE 27 -0.499 1.134 1.134
217 HD2 PHE 27 2HD PHE 27 -3.466 -1.926 -1.926
218 HE1 PHE 27 1HE PHE 27 0.121 0.394 0.394
219 HE2 PHE 27 2HE PHE 27 -2.835 -2.655 -2.655
220 HZ PHE 27 HZ PHE 27 -1.024 -1.512 -1.512
221 H CYS 28 H CYS 28 -1.051 1.047 1.047
222 HA CYS 28 HA CYS 28 -3.195 1.720 1.720
223 1HB CYS 28 2HB CYS 28 -0.771 0.338 0.338
224 2HB CYS 28 1HB CYS 28 -2.449 -0.038 -0.038
225 H ARG 29 H ARG 29 -1.924 3.635 3.635
226 HA ARG 29 HA ARG 29 0.294 4.911 4.911
227 1HB ARG 29 2HB ARG 29 -2.538 5.650 5.650
228 2HB ARG 29 1HB ARG 29 -1.417 6.924 6.924
229 1HG ARG 29 2HG ARG 29 -0.232 6.368 6.368
230 2HG ARG 29 1HG ARG 29 -1.213 4.913 4.913
231 1HD ARG 29 2HD ARG 29 -3.091 5.956 5.956
232 2HD ARG 29 1HD ARG 29 -2.623 7.530 7.530
233 HE ARG 29 HE ARG 29 -0.840 6.948 6.948
234 1HH1 ARG 29 1HH2 ARG 29 -3.284 5.313 5.313
235 2HH1 ARG 29 2HH2 ARG 29 -4.219 6.289 6.289
236 1HH2 ARG 29 2HH1 ARG 29 -2.158 9.093 9.093
237 2HH2 ARG 29 1HH1 ARG 29 -3.456 8.653 8.653
238 H LYS 30 H LYS 30 -2.383 5.283 5.283
239 HA LYS 30 HA LYS 30 -0.550 6.347 6.347
240 1HB LYS 30 2HB LYS 30 -3.467 6.027 6.027
241 2HB LYS 30 1HB LYS 30 -2.421 7.416 7.416
242 1HG LYS 30 2HG LYS 30 -2.603 7.633 7.633
243 2HG LYS 30 1HG LYS 30 -3.963 6.552 6.552
244 1HD LYS 30 2HD LYS 30 -4.896 8.753 8.753
245 2HD LYS 30 1HD LYS 30 -4.989 8.215 8.215
246 1HE LYS 30 2HE LYS 30 -2.427 9.597 9.597
247 2HE LYS 30 1HE LYS 30 -3.869 10.598 10.598
248 1HZ LYS 30 1HZ LYS 30 -3.950 9.129 9.129
249 2HZ LYS 30 3HZ LYS 30 -2.353 9.694 9.694
250 3HZ LYS 30 2HZ LYS 30 -3.656 10.788 10.788
251 H THR 31 H THR 31 -3.019 4.003 4.003
252 HA THR 31 HA THR 31 -3.232 2.409 2.409
253 HB THR 31 HB THR 31 -2.918 1.592 1.592
254 HG1 THR 31 1HG THR 31 -4.827 2.673 2.673
255 1HG2 THR 31 2HG2 THR 31 -3.809 -0.127 -0.127
256 2HG2 THR 31 1HG2 THR 31 -3.820 -0.538 -0.538
257 3HG2 THR 31 3HG2 THR 31 -2.283 -0.394 -0.394
258 H CYS 32 H CYS 32 -0.348 2.463 2.463
259 HA CYS 32 HA CYS 32 0.964 0.628 0.628
260 1HB CYS 32 2HB CYS 32 1.186 0.989 0.989
261 2HB CYS 32 1HB CYS 32 2.709 0.823 0.823
262 H GLY 33 H GLY 33 1.289 3.534 3.534
263 1HA GLY 33 2HA GLY 33 2.127 5.564 5.564
264 2HA GLY 33 1HA GLY 33 3.220 4.517 4.517
265 H THR 34 H THR 34 2.398 4.891 4.891
266 HA THR 34 HA THR 34 5.268 5.446 5.446
267 HB THR 34 HB THR 34 4.175 4.246 4.246
268 HG1 THR 34 1HG THR 34 2.912 2.790 2.790
269 1HG2 THR 34 1HG2 THR 34 5.649 2.882 2.882
270 2HG2 THR 34 3HG2 THR 34 5.617 2.347 2.347
271 3HG2 THR 34 2HG2 THR 34 6.466 3.803 3.803
272 H CYS 35 HN CYS 35 2.298 7.026 7.026
273 HA CYS 35 HA CYS 35 3.150 8.396 8.396
274 1HB CYS 35 2HB CYS 35 0.960 8.946 8.946
275 2HB CYS 35 1HB CYS 35 0.951 7.255 7.255
Start of MODEL 2
1 1H ARG 1 3H ARG 1 1.044 13.294 13.294
2 2H ARG 1 2H ARG 1 2.039 14.604 14.604
3 3H ARG 1 1H ARG 1 2.378 13.642 13.642
4 HA ARG 1 HA ARG 1 1.172 14.967 14.967
5 1HB ARG 1 2HB ARG 1 0.738 16.509 16.509
6 2HB ARG 1 1HB ARG 1 -0.316 16.862 16.862
7 1HG ARG 1 2HG ARG 1 2.137 17.054 17.054
8 2HG ARG 1 1HG ARG 1 2.579 17.540 17.540
9 1HD ARG 1 2HD ARG 1 0.732 19.249 19.249
10 2HD ARG 1 1HD ARG 1 0.236 18.729 18.729
11 HE ARG 1 HE ARG 1 2.602 19.488 19.488
12 1HH1 ARG 1 1HH2 ARG 1 3.611 20.365 20.365
13 2HH1 ARG 1 2HH2 ARG 1 3.255 22.047 22.047
14 1HH2 ARG 1 1HH1 ARG 1 0.818 21.687 21.687
15 2HH2 ARG 1 2HH1 ARG 1 1.519 22.866 22.866
16 H SER 2 H SER 2 -1.028 14.936 14.936
17 HA SER 2 HA SER 2 -3.125 13.872 13.872
18 1HB SER 2 2HB SER 2 -3.477 15.045 15.045
19 2HB SER 2 1HB SER 2 -4.756 14.672 14.672
20 HG SER 2 HG SER 2 -4.368 16.698 16.698
21 H CYS 3 H CYS 3 -3.916 11.878 11.878
22 HA CYS 3 HA CYS 3 -3.757 10.531 10.531
23 1HB CYS 3 2HB CYS 3 -2.034 8.838 8.838
24 2HB CYS 3 1HB CYS 3 -1.371 10.410 10.410
25 H ILE 4 H ILE 4 -4.802 8.544 8.544
26 HA ILE 4 HA ILE 4 -5.825 7.771 7.771
27 HB ILE 4 HB ILE 4 -8.135 7.632 7.632
28 1HG1 ILE 4 2HG1 ILE 4 -8.310 9.273 9.273
29 2HG1 ILE 4 1HG1 ILE 4 -6.659 8.790 8.790
30 1HG2 ILE 4 3HG2 ILE 4 -7.559 9.619 9.619
31 2HG2 ILE 4 2HG2 ILE 4 -6.931 10.428 10.428
32 3HG2 ILE 4 1HG2 ILE 4 -8.641 10.061 10.061
33 1HD1 ILE 4 1HD1 ILE 4 -8.986 6.834 6.834
34 2HD1 ILE 4 3HD1 ILE 4 -8.225 7.261 7.261
35 3HD1 ILE 4 2HD1 ILE 4 -7.344 6.360 6.360
36 H ASP 5 H ASP 5 -6.203 5.470 5.470
37 HA ASP 5 HA ASP 5 -4.696 3.997 3.997
38 1HB ASP 5 2HB ASP 5 -6.574 2.896 2.896
39 2HB ASP 5 1HB ASP 5 -5.177 2.112 2.112
40 H THR 6 H THR 6 -5.690 2.178 2.178
41 HA THR 6 HA THR 6 -8.594 2.462 2.462
42 HB THR 6 HB THR 6 -7.431 3.920 3.920
43 HG1 THR 6 1HG THR 6 -8.481 1.440 1.440
44 1HG2 THR 6 3HG2 THR 6 -5.174 2.745 2.745
45 2HG2 THR 6 2HG2 THR 6 -5.891 1.395 1.395
46 3HG2 THR 6 1HG2 THR 6 -5.782 2.974 2.974
47 H ILE 7 H ILE 7 -6.728 0.746 0.746
48 HA ILE 7 HA ILE 7 -7.461 -1.826 -1.826
49 HB ILE 7 HB ILE 7 -5.112 -1.229 -1.229
50 1HG1 ILE 7 2HG1 ILE 7 -3.881 -3.120 -3.120
51 2HG1 ILE 7 1HG1 ILE 7 -5.394 -3.513 -3.513
52 1HG2 ILE 7 3HG2 ILE 7 -4.747 0.186 0.186
53 2HG2 ILE 7 2HG2 ILE 7 -4.722 -1.251 -1.251
54 3HG2 ILE 7 1HG2 ILE 7 -3.464 -0.985 -0.985
55 1HD1 ILE 7 3HD1 ILE 7 -6.397 -3.736 -3.736
56 2HD1 ILE 7 2HD1 ILE 7 -4.791 -3.446 -3.446
57 3HD1 ILE 7 1HD1 ILE 7 -5.114 -4.882 -4.882
58 HA PRO 8 HA PRO 8 -8.444 -3.033 -3.033
59 1HB PRO 8 2HB PRO 8 -8.039 -5.710 -5.710
60 2HB PRO 8 1HB PRO 8 -9.503 -4.952 -4.952
61 1HG PRO 8 2HG PRO 8 -6.834 -5.385 -5.385
62 2HG PRO 8 1HG PRO 8 -8.419 -6.055 -6.055
63 1HD PRO 8 2HD PRO 8 -7.831 -3.781 -3.781
64 2HD PRO 8 1HD PRO 8 -9.366 -3.788 -3.788
65 H LYS 9 H LYS 9 -7.107 -2.660 -2.660
66 HA LYS 9 HA LYS 9 -4.287 -2.617 -2.617
67 1HB LYS 9 2HB LYS 9 -5.648 -1.608 -1.608
68 2HB LYS 9 1HB LYS 9 -6.027 -3.210 -3.210
69 1HG LYS 9 2HG LYS 9 -3.107 -2.676 -2.676
70 2HG LYS 9 1HG LYS 9 -3.904 -1.760 -1.760
71 1HD LYS 9 2HD LYS 9 -4.416 -3.702 -3.702
72 2HD LYS 9 1HD LYS 9 -4.183 -4.749 -4.749
73 1HE LYS 9 2HE LYS 9 -2.222 -4.750 -4.750
74 2HE LYS 9 1HE LYS 9 -1.803 -4.494 -4.494
75 1HZ LYS 9 1HZ LYS 9 -2.298 -1.976 -1.976
76 2HZ LYS 9 3HZ LYS 9 -1.186 -2.826 -2.826
77 3HZ LYS 9 2HZ LYS 9 -0.886 -2.550 -2.550
78 H SER 10 H SER 10 -6.525 -4.952 -4.952
79 HA SER 10 HA SER 10 -5.359 -7.131 -7.131
80 1HB SER 10 2HB SER 10 -7.096 -7.562 -7.562
81 2HB SER 10 1HB SER 10 -7.308 -8.255 -8.255
82 HG SER 10 HG SER 10 -8.749 -6.659 -6.659
83 H ARG 11 H ARG 11 -5.042 -5.943 -5.943
84 HA ARG 11 HA ARG 11 -3.307 -8.163 -8.163
85 1HB ARG 11 2HB ARG 11 -4.795 -6.446 -6.446
86 2HB ARG 11 1HB ARG 11 -3.307 -5.526 -5.526
87 1HG ARG 11 2HG ARG 11 -3.085 -6.930 -6.930
88 2HG ARG 11 1HG ARG 11 -2.027 -7.601 -7.601
89 1HD ARG 11 2HD ARG 11 -3.942 -9.208 -9.208
90 2HD ARG 11 1HD ARG 11 -4.807 -8.602 -8.602
91 HE ARG 11 HE ARG 11 -2.099 -9.940 -9.940
92 1HH1 ARG 11 2HH1 ARG 11 -2.542 -8.851 -8.851
93 2HH1 ARG 11 1HH1 ARG 11 -3.530 -9.956 -9.956
94 1HH2 ARG 11 1HH2 ARG 11 -4.457 -11.637 -11.637
95 2HH2 ARG 11 2HH2 ARG 11 -4.667 -11.678 -11.678
96 H CYS 12 H CYS 12 -3.061 -4.882 -4.882
97 HA CYS 12 HA CYS 12 -0.076 -5.103 -5.103
98 1HB CYS 12 2HB CYS 12 -1.970 -2.876 -2.876
99 2HB CYS 12 1HB CYS 12 -0.586 -2.723 -2.723
100 H THR 13 H THR 13 -0.981 -6.923 -6.923
101 HA THR 13 HA THR 13 -1.153 -6.578 -6.578
102 HB THR 13 HB THR 13 -2.269 -8.571 -8.571
103 HG1 THR 13 1HG THR 13 -0.357 -10.097 -10.097
104 1HG2 THR 13 3HG2 THR 13 0.451 -9.298 -9.298
105 2HG2 THR 13 2HG2 THR 13 -1.011 -10.289 -10.289
106 3HG2 THR 13 1HG2 THR 13 -0.959 -8.782 -8.782
107 H ALA 14 H ALA 14 0.634 -7.523 -7.523
108 HA ALA 14 HA ALA 14 3.042 -6.146 -6.146
109 1HB ALA 14 3HB ALA 14 2.721 -8.813 -8.813
110 2HB ALA 14 2HB ALA 14 4.081 -7.723 -7.723
111 3HB ALA 14 1HB ALA 14 2.497 -7.228 -7.228
112 H PHE 15 H PHE 15 1.941 -9.081 -9.081
113 HA PHE 15 HA PHE 15 4.368 -10.238 -10.238
114 1HB PHE 15 2HB PHE 15 1.810 -10.744 -10.744
115 2HB PHE 15 1HB PHE 15 3.040 -11.853 -11.853
116 HD1 PHE 15 2HD PHE 15 2.821 -10.738 -10.738
117 HD2 PHE 15 1HD PHE 15 0.088 -12.285 -12.285
118 HE1 PHE 15 2HE PHE 15 1.321 -11.448 -11.448
119 HE2 PHE 15 1HE PHE 15 -1.401 -12.993 -12.993
120 HZ PHE 15 HZ PHE 15 -0.792 -12.576 -12.576
121 H GLN 16 H GLN 16 2.121 -7.965 -7.965
122 HA GLN 16 HA GLN 16 3.914 -7.790 -7.790
123 1HB GLN 16 2HB GLN 16 1.090 -6.755 -6.755
124 2HB GLN 16 1HB GLN 16 2.115 -7.404 -7.404
125 1HG GLN 16 2HG GLN 16 1.976 -9.578 -9.578
126 2HG GLN 16 1HG GLN 16 0.378 -8.904 -8.904
127 1HE2 GLN 16 2HE2 GLN 16 1.482 -10.754 -10.754
128 2HE2 GLN 16 1HE2 GLN 16 2.669 -10.320 -10.320
129 H CYS 17 H CYS 17 2.563 -6.025 -6.025
130 HA CYS 17 HA CYS 17 2.680 -3.304 -3.304
131 1HB CYS 17 2HB CYS 17 1.731 -4.451 -4.451
132 2HB CYS 17 1HB CYS 17 3.263 -4.066 -4.066
133 H LYS 18 H LYS 18 5.022 -5.471 -5.471
134 HA LYS 18 HA LYS 18 7.140 -3.377 -3.377
135 1HB LYS 18 2HB LYS 18 6.780 -4.460 -4.460
136 2HB LYS 18 1HB LYS 18 7.463 -5.897 -5.897
137 1HG LYS 18 2HG LYS 18 9.564 -4.846 -4.846
138 2HG LYS 18 1HG LYS 18 9.032 -3.272 -3.272
139 1HD LYS 18 2HD LYS 18 8.830 -5.476 -5.476
140 2HD LYS 18 1HD LYS 18 10.448 -5.078 -5.078
141 1HE LYS 18 2HE LYS 18 9.566 -3.773 -3.773
142 2HE LYS 18 1HE LYS 18 10.267 -2.802 -2.802
143 1HZ LYS 18 1HZ LYS 18 7.556 -3.152 -3.152
144 2HZ LYS 18 3HZ LYS 18 7.635 -2.698 -2.698
145 3HZ LYS 18 2HZ LYS 18 8.341 -1.717 -1.717
146 H HIS 19 H HIS 19 5.704 -5.492 -5.492
147 HA HIS 19 HA HIS 19 8.154 -6.452 -6.452
148 1HB HIS 19 2HB HIS 19 5.926 -8.299 -8.299
149 2HB HIS 19 1HB HIS 19 7.053 -8.713 -8.713
150 HD1 HIS 19 1HD HIS 19 9.604 -8.595 -8.595
151 HD2 HIS 19 2HD HIS 19 6.871 -8.714 -8.714
152 HE1 HIS 19 1HE HIS 19 10.779 -9.288 -9.288
153 H SER 20 H SER 20 4.565 -6.397 -6.397
154 HA SER 20 HA SER 20 4.992 -6.510 -6.510
155 1HB SER 20 2HB SER 20 2.338 -6.367 -6.367
156 2HB SER 20 1HB SER 20 2.670 -6.968 -6.968
157 HG SER 20 HG SER 20 4.288 -8.172 -8.172
158 H MET 21 H MET 21 5.906 -4.488 -4.488
159 HA MET 21 HA MET 21 4.723 -1.999 -1.999
160 1HB MET 21 2HB MET 21 6.480 -2.768 -2.768
161 2HB MET 21 1HB MET 21 5.979 -1.120 -1.120
162 1HG MET 21 2HG MET 21 6.951 -1.942 -1.942
163 2HG MET 21 1HG MET 21 8.013 -2.726 -2.726
164 1HE MET 21 2HE MET 21 6.160 0.368 0.368
165 2HE MET 21 1HE MET 21 7.291 1.684 1.684
166 3HE MET 21 3HE MET 21 6.523 1.058 1.058
167 1HN DNP 22 HN DAP 22 3.723 -4.310 -4.310
168 HA DNP 22 HA DAP 22 2.292 -2.475 -2.475
169 1HB DNP 22 1HB DAP 22 0.890 -4.329 -4.329
170 2HB DNP 22 2HB DAP 22 1.245 -5.243 -5.243
171 1HG DNP 22 1HG DAP 22 3.696 -4.553 -4.553
172 2HG DNP 22 2HG DAP 22 2.669 -5.238 -5.238
173 3HG DNP 22 3HG DAP 22 3.033 -6.107 -6.107
174 H TYR 23 H TYR 23 1.744 -3.295 -3.295
175 HA TYR 23 HA TYR 23 -0.899 -1.903 -1.903
176 1HB TYR 23 2HB TYR 23 -0.056 -3.507 -3.507
177 2HB TYR 23 1HB TYR 23 -1.673 -3.190 -3.190
178 HD1 TYR 23 2HD TYR 23 -1.736 -4.105 -4.105
179 HD2 TYR 23 1HD TYR 23 0.317 -5.795 -5.795
180 HE1 TYR 23 2HE TYR 23 -1.803 -6.297 -6.297
181 HE2 TYR 23 1HE TYR 23 0.256 -7.963 -7.963
182 HH TYR 23 HH TYR 23 0.028 -8.932 -8.932
183 H ARG 24 H ARG 24 1.724 -2.525 -2.525
184 HA ARG 24 HA ARG 24 1.789 -0.280 -0.280
185 1HB ARG 24 2HB ARG 24 3.236 -2.617 -2.617
186 2HB ARG 24 1HB ARG 24 4.412 -1.413 -1.413
187 1HG ARG 24 2HG ARG 24 2.889 -1.444 -1.444
188 2HG ARG 24 1HG ARG 24 4.433 -2.202 -2.202
189 1HD ARG 24 2HD ARG 24 4.085 0.781 0.781
190 2HD ARG 24 1HD ARG 24 4.483 0.084 0.084
191 HE ARG 24 HE ARG 24 6.200 -0.610 -0.610
192 1HH1 ARG 24 2HH1 ARG 24 6.265 -1.150 -1.150
193 2HH1 ARG 24 1HH1 ARG 24 7.605 -0.175 -0.175
194 1HH2 ARG 24 1HH2 ARG 24 7.503 1.583 1.583
195 2HH2 ARG 24 2HH2 ARG 24 8.404 1.516 1.516
196 H LEU 25 H LEU 25 2.405 -0.220 -0.220
197 HA LEU 25 HA LEU 25 4.309 1.975 1.975
198 1HB LEU 25 2HB LEU 25 4.152 0.577 0.577
199 2HB LEU 25 1HB LEU 25 2.490 0.769 0.769
200 HG LEU 25 HG LEU 25 2.866 3.198 3.198
201 1HD1 LEU 25 2HD1 LEU 25 5.826 2.578 2.578
202 2HD1 LEU 25 1HD1 LEU 25 5.160 4.037 4.037
203 3HD1 LEU 25 3HD1 LEU 25 4.873 3.680 3.680
204 1HD2 LEU 25 3HD2 LEU 25 2.976 1.415 1.415
205 2HD2 LEU 25 2HD2 LEU 25 4.074 2.728 2.728
206 3HD2 LEU 25 1HD2 LEU 25 4.695 1.236 1.236
207 H SER 26 H SER 26 1.299 2.063 2.063
208 HA SER 26 HA SER 26 0.529 4.493 4.493
209 1HB SER 26 2HB SER 26 0.661 4.111 4.111
210 2HB SER 26 1HB SER 26 -0.582 5.192 5.192
211 HG SER 26 HG SER 26 2.003 5.707 5.707
212 H PHE 27 H PHE 27 -0.274 1.505 1.505
213 HA PHE 27 HA PHE 27 -3.200 2.069 2.069
214 1HB PHE 27 2HB PHE 27 -2.014 -0.572 -0.572
215 2HB PHE 27 1HB PHE 27 -3.639 -0.220 -0.220
216 HD1 PHE 27 1HD PHE 27 -0.854 1.039 1.039
217 HD2 PHE 27 2HD PHE 27 -3.825 -1.957 -1.957
218 HE1 PHE 27 1HE PHE 27 -0.543 0.241 0.241
219 HE2 PHE 27 2HE PHE 27 -3.500 -2.742 -2.742
220 HZ PHE 27 HZ PHE 27 -1.850 -1.656 -1.656
221 H CYS 28 H CYS 28 -1.016 0.809 0.809
222 HA CYS 28 HA CYS 28 -3.182 1.396 1.396
223 1HB CYS 28 2HB CYS 28 -0.734 0.075 0.075
224 2HB CYS 28 1HB CYS 28 -2.407 -0.325 -0.325
225 H ARG 29 H ARG 29 -2.050 3.335 3.335
226 HA ARG 29 HA ARG 29 0.134 4.729 4.729
227 1HB ARG 29 2HB ARG 29 -2.744 5.336 5.336
228 2HB ARG 29 1HB ARG 29 -1.684 6.668 6.668
229 1HG ARG 29 2HG ARG 29 -0.488 6.132 6.132
230 2HG ARG 29 1HG ARG 29 -1.443 4.679 4.679
231 1HD ARG 29 2HD ARG 29 -3.289 5.700 5.700
232 2HD ARG 29 1HD ARG 29 -3.051 7.143 7.143
233 HE ARG 29 HE ARG 29 -1.563 6.530 6.530
234 1HH1 ARG 29 2HH1 ARG 29 -0.214 8.570 8.570
235 2HH1 ARG 29 1HH1 ARG 29 -0.983 10.053 10.053
236 1HH2 ARG 29 1HH2 ARG 29 -3.814 8.241 8.241
237 2HH2 ARG 29 2HH2 ARG 29 -3.238 9.863 9.863
238 H LYS 30 H LYS 30 -2.501 4.995 4.995
239 HA LYS 30 HA LYS 30 -0.632 6.151 6.151
240 1HB LYS 30 2HB LYS 30 -3.566 5.579 5.579
241 2HB LYS 30 1HB LYS 30 -2.581 6.894 6.894
242 1HG LYS 30 2HG LYS 30 -2.492 7.614 7.614
243 2HG LYS 30 1HG LYS 30 -3.854 6.537 6.537
244 1HD LYS 30 2HD LYS 30 -4.939 8.560 8.560
245 2HD LYS 30 1HD LYS 30 -4.893 7.778 7.778
246 1HE LYS 30 2HE LYS 30 -2.363 9.168 9.168
247 2HE LYS 30 1HE LYS 30 -3.589 10.259 10.259
248 1HZ LYS 30 2HZ LYS 30 -4.578 9.073 9.073
249 2HZ LYS 30 1HZ LYS 30 -3.014 9.637 9.637
250 3HZ LYS 30 3HZ LYS 30 -4.195 10.691 10.691
251 H THR 31 H THR 31 -2.909 3.629 3.629
252 HA THR 31 HA THR 31 -2.887 2.096 2.096
253 HB THR 31 HB THR 31 -2.730 1.264 1.264
254 HG1 THR 31 1HG THR 31 -4.589 2.205 2.205
255 1HG2 THR 31 1HG2 THR 31 -3.688 -0.299 -0.299
256 2HG2 THR 31 3HG2 THR 31 -3.734 -0.787 -0.787
257 3HG2 THR 31 2HG2 THR 31 -2.193 -0.724 -0.724
258 H CYS 32 H CYS 32 -0.192 2.351 2.351
259 HA CYS 32 HA CYS 32 1.375 0.608 0.608
260 1HB CYS 32 2HB CYS 32 1.651 1.056 1.056
261 2HB CYS 32 1HB CYS 32 2.966 0.455 0.455
262 H GLY 33 H GLY 33 1.404 3.385 3.385
263 1HA GLY 33 2HA GLY 33 1.984 5.588 5.588
264 2HA GLY 33 1HA GLY 33 3.194 4.753 4.753
265 H THR 34 H THR 34 2.378 4.718 4.718
266 HA THR 34 HA THR 34 5.206 5.449 5.449
267 HB THR 34 HB THR 34 4.087 4.216 4.216
268 HG1 THR 34 1HG THR 34 2.793 2.792 2.792
269 1HG2 THR 34 1HG2 THR 34 6.361 3.722 3.722
270 2HG2 THR 34 3HG2 THR 34 5.487 2.828 2.828
271 3HG2 THR 34 2HG2 THR 34 5.448 2.279 2.279
272 H CYS 35 HN CYS 35 2.206 7.008 7.008
273 HA CYS 35 HA CYS 35 2.925 8.516 8.516
274 1HB CYS 35 2HB CYS 35 0.661 9.055 9.055
275 2HB CYS 35 1HB CYS 35 0.836 7.319 7.319
Start of MODEL 3
1 1H ARG 1 3H ARG 1 -1.012 17.331 17.331
2 2H ARG 1 2H ARG 1 0.547 17.935 17.935
3 3H ARG 1 1H ARG 1 0.020 17.674 17.674
4 HA ARG 1 HA ARG 1 0.732 15.566 15.566
5 1HB ARG 1 2HB ARG 1 2.529 16.465 16.465
6 2HB ARG 1 1HB ARG 1 1.461 16.108 16.108
7 1HG ARG 1 2HG ARG 1 1.565 13.699 13.699
8 2HG ARG 1 1HG ARG 1 2.394 13.966 13.966
9 1HD ARG 1 2HD ARG 1 4.395 14.814 14.814
10 2HD ARG 1 1HD ARG 1 3.551 14.623 14.623
11 HE ARG 1 HE ARG 1 3.893 12.210 12.210
12 1HH1 ARG 1 1HH2 ARG 1 3.191 10.812 10.812
13 2HH1 ARG 1 2HH2 ARG 1 4.299 10.679 10.679
14 1HH2 ARG 1 1HH1 ARG 1 5.972 13.616 13.616
15 2HH2 ARG 1 2HH1 ARG 1 6.056 12.429 12.429
16 H SER 2 H SER 2 -1.591 15.198 15.198
17 HA SER 2 HA SER 2 -2.779 13.803 13.803
18 1HB SER 2 2HB SER 2 -4.298 15.099 15.099
19 2HB SER 2 1HB SER 2 -4.947 14.620 14.620
20 HG SER 2 HG SER 2 -4.298 16.507 16.507
21 H CYS 3 H CYS 3 -3.783 11.856 11.856
22 HA CYS 3 HA CYS 3 -4.135 10.754 10.754
23 1HB CYS 3 2HB CYS 3 -2.109 9.063 9.063
24 2HB CYS 3 1HB CYS 3 -1.844 10.586 10.586
25 H ILE 4 H ILE 4 -5.103 8.714 8.714
26 HA ILE 4 HA ILE 4 -5.326 7.676 7.676
27 HB ILE 4 HB ILE 4 -7.780 7.188 7.188
28 1HG1 ILE 4 2HG1 ILE 4 -8.693 8.912 8.912
29 2HG1 ILE 4 1HG1 ILE 4 -7.061 9.105 9.105
30 1HG2 ILE 4 3HG2 ILE 4 -6.946 10.102 10.102
31 2HG2 ILE 4 2HG2 ILE 4 -8.562 9.476 9.476
32 3HG2 ILE 4 1HG2 ILE 4 -7.230 8.986 8.986
33 1HD1 ILE 4 1HD1 ILE 4 -8.619 6.467 6.467
34 2HD1 ILE 4 3HD1 ILE 4 -8.311 7.459 7.459
35 3HD1 ILE 4 2HD1 ILE 4 -6.995 6.632 6.632
36 H ASP 5 H ASP 5 -6.021 5.458 5.458
37 HA ASP 5 HA ASP 5 -4.521 3.881 3.881
38 1HB ASP 5 2HB ASP 5 -6.488 2.953 2.953
39 2HB ASP 5 1HB ASP 5 -5.108 2.073 2.073
40 H THR 6 H THR 6 -5.540 2.044 2.044
41 HA THR 6 HA THR 6 -8.436 2.352 2.352
42 HB THR 6 HB THR 6 -6.939 3.778 3.778
43 HG1 THR 6 1HG THR 6 -8.575 3.337 3.337
44 1HG2 THR 6 2HG2 THR 6 -5.083 2.060 2.060
45 2HG2 THR 6 1HG2 THR 6 -6.194 1.002 1.002
46 3HG2 THR 6 3HG2 THR 6 -5.731 2.539 2.539
47 H ILE 7 H ILE 7 -6.450 0.596 0.596
48 HA ILE 7 HA ILE 7 -7.235 -1.974 -1.974
49 HB ILE 7 HB ILE 7 -4.846 -1.472 -1.472
50 1HG1 ILE 7 2HG1 ILE 7 -3.677 -3.247 -3.247
51 2HG1 ILE 7 1HG1 ILE 7 -5.177 -3.524 -3.524
52 1HG2 ILE 7 3HG2 ILE 7 -4.559 0.079 0.079
53 2HG2 ILE 7 2HG2 ILE 7 -4.589 -1.301 -1.301
54 3HG2 ILE 7 1HG2 ILE 7 -3.273 -1.104 -1.104
55 1HD1 ILE 7 2HD1 ILE 7 -6.248 -4.097 -4.097
56 2HD1 ILE 7 1HD1 ILE 7 -4.696 -3.820 -3.820
57 3HD1 ILE 7 3HD1 ILE 7 -4.907 -5.154 -5.154
58 HA PRO 8 HA PRO 8 -8.352 -3.231 -3.231
59 1HB PRO 8 2HB PRO 8 -7.746 -5.900 -5.900
60 2HB PRO 8 1HB PRO 8 -9.302 -5.220 -5.220
61 1HG PRO 8 2HG PRO 8 -6.758 -5.453 -5.453
62 2HG PRO 8 1HG PRO 8 -8.348 -6.155 -6.155
63 1HD PRO 8 2HD PRO 8 -7.952 -3.815 -3.815
64 2HD PRO 8 1HD PRO 8 -9.370 -3.911 -3.911
65 H LYS 9 H LYS 9 -6.944 -2.622 -2.622
66 HA LYS 9 HA LYS 9 -4.131 -2.572 -2.572
67 1HB LYS 9 2HB LYS 9 -5.572 -1.469 -1.469
68 2HB LYS 9 1HB LYS 9 -5.822 -3.038 -3.038
69 1HG LYS 9 2HG LYS 9 -2.966 -2.391 -2.391
70 2HG LYS 9 1HG LYS 9 -3.764 -1.395 -1.395
71 1HD LYS 9 2HD LYS 9 -4.290 -3.434 -3.434
72 2HD LYS 9 1HD LYS 9 -3.637 -4.431 -4.431
73 1HE LYS 9 2HE LYS 9 -1.893 -4.086 -4.086
74 2HE LYS 9 1HE LYS 9 -1.386 -3.435 -3.435
75 1HZ LYS 9 2HZ LYS 9 -2.818 -1.394 -1.394
76 2HZ LYS 9 1HZ LYS 9 -1.649 -2.026 -2.026
77 3HZ LYS 9 3HZ LYS 9 -1.199 -1.391 -1.391
78 H SER 10 H SER 10 -6.431 -4.921 -4.921
79 HA SER 10 HA SER 10 -5.180 -6.925 -6.925
80 1HB SER 10 2HB SER 10 -6.911 -7.697 -7.697
81 2HB SER 10 1HB SER 10 -7.104 -8.204 -8.204
82 HG SER 10 HG SER 10 -8.600 -6.650 -6.650
83 H ARG 11 H ARG 11 -4.887 -5.998 -5.998
84 HA ARG 11 HA ARG 11 -3.187 -8.230 -8.230
85 1HB ARG 11 2HB ARG 11 -4.799 -6.537 -6.537
86 2HB ARG 11 1HB ARG 11 -3.311 -5.631 -5.631
87 1HG ARG 11 2HG ARG 11 -3.218 -7.008 -7.008
88 2HG ARG 11 1HG ARG 11 -2.134 -7.771 -7.771
89 1HD ARG 11 2HD ARG 11 -4.056 -9.303 -9.303
90 2HD ARG 11 1HD ARG 11 -4.990 -8.618 -8.618
91 HE ARG 11 HE ARG 11 -2.755 -9.362 -9.362
92 1HH1 ARG 11 2HH1 ARG 11 -1.940 -10.990 -10.990
93 2HH1 ARG 11 1HH1 ARG 11 -2.632 -12.531 -12.531
94 1HH2 ARG 11 1HH2 ARG 11 -4.890 -11.129 -11.129
95 2HH2 ARG 11 2HH2 ARG 11 -4.456 -12.630 -12.630
96 H CYS 12 H CYS 12 -3.040 -4.887 -4.887
97 HA CYS 12 HA CYS 12 -0.127 -4.693 -4.693
98 1HB CYS 12 2HB CYS 12 -2.079 -2.766 -2.766
99 2HB CYS 12 1HB CYS 12 -0.564 -2.403 -2.403
100 H THR 13 H THR 13 -0.778 -6.674 -6.674
101 HA THR 13 HA THR 13 -0.615 -5.983 -5.983
102 HB THR 13 HB THR 13 -1.988 -7.959 -7.959
103 HG1 THR 13 1HG THR 13 -0.093 -9.499 -9.499
104 1HG2 THR 13 2HG2 THR 13 0.547 -9.090 -9.090
105 2HG2 THR 13 1HG2 THR 13 -1.027 -9.879 -9.879
106 3HG2 THR 13 3HG2 THR 13 -0.838 -8.499 -8.499
107 H ALA 14 H ALA 14 1.226 -6.991 -6.991
108 HA ALA 14 HA ALA 14 3.688 -5.871 -5.871
109 1HB ALA 14 1HB ALA 14 3.303 -6.678 -6.678
110 2HB ALA 14 3HB ALA 14 3.341 -8.344 -8.344
111 3HB ALA 14 2HB ALA 14 4.779 -7.350 -7.350
112 H PHE 15 H PHE 15 2.212 -8.752 -8.752
113 HA PHE 15 HA PHE 15 4.413 -10.223 -10.223
114 1HB PHE 15 2HB PHE 15 1.678 -10.825 -10.825
115 2HB PHE 15 1HB PHE 15 2.883 -11.892 -11.892
116 HD1 PHE 15 1HD PHE 15 3.120 -10.355 -10.355
117 HD2 PHE 15 2HD PHE 15 -0.171 -11.776 -11.776
118 HE1 PHE 15 1HE PHE 15 1.780 -10.577 -10.577
119 HE2 PHE 15 2HE PHE 15 -1.499 -11.996 -11.996
120 HZ PHE 15 HZ PHE 15 -0.531 -11.392 -11.392
121 H GLN 16 H GLN 16 2.242 -7.875 -7.875
122 HA GLN 16 HA GLN 16 3.719 -8.069 -8.069
123 1HB GLN 16 2HB GLN 16 0.917 -7.143 -7.143
124 2HB GLN 16 1HB GLN 16 1.877 -7.979 -7.979
125 1HG GLN 16 2HG GLN 16 1.856 -9.882 -9.882
126 2HG GLN 16 1HG GLN 16 0.313 -9.098 -9.098
127 1HE2 GLN 16 2HE2 GLN 16 0.673 -10.506 -10.506
128 2HE2 GLN 16 1HE2 GLN 16 1.849 -9.391 -9.391
129 H CYS 17 H CYS 17 3.028 -6.287 -6.287
130 HA CYS 17 HA CYS 17 2.589 -3.649 -3.649
131 1HB CYS 17 2HB CYS 17 1.853 -4.101 -4.101
132 2HB CYS 17 1HB CYS 17 3.492 -4.335 -4.335
133 H LYS 18 H LYS 18 5.202 -5.432 -5.432
134 HA LYS 18 HA LYS 18 7.136 -3.479 -3.479
135 1HB LYS 18 2HB LYS 18 6.922 -3.960 -3.960
136 2HB LYS 18 1HB LYS 18 7.754 -5.460 -5.460
137 1HG LYS 18 2HG LYS 18 9.704 -4.319 -4.319
138 2HG LYS 18 1HG LYS 18 8.884 -2.762 -2.762
139 1HD LYS 18 2HD LYS 18 8.478 -3.028 -3.028
140 2HD LYS 18 1HD LYS 18 9.475 -4.476 -4.476
141 1HE LYS 18 2HE LYS 18 11.448 -3.211 -3.211
142 2HE LYS 18 1HE LYS 18 10.502 -1.769 -1.769
143 1HZ LYS 18 1HZ LYS 18 9.887 -2.609 -2.609
144 2HZ LYS 18 3HZ LYS 18 11.581 -2.563 -2.563
145 3HZ LYS 18 2HZ LYS 18 10.656 -1.181 -1.181
146 H HIS 19 H HIS 19 5.683 -5.752 -5.752
147 HA HIS 19 HA HIS 19 7.912 -7.229 -7.229
148 1HB HIS 19 2HB HIS 19 5.797 -8.389 -8.389
149 2HB HIS 19 1HB HIS 19 6.019 -9.253 -9.253
150 HD1 HIS 19 1HD HIS 19 8.521 -9.953 -9.953
151 HD2 HIS 19 2HD HIS 19 7.619 -8.925 -8.925
152 HE1 HIS 19 1HE HIS 19 10.283 -10.837 -10.837
153 H SER 20 H SER 20 4.645 -5.978 -5.978
154 HA SER 20 HA SER 20 4.695 -6.483 -6.483
155 1HB SER 20 2HB SER 20 2.245 -6.465 -6.465
156 2HB SER 20 1HB SER 20 2.290 -6.786 -6.786
157 HG SER 20 HG SER 20 4.146 -8.270 -8.270
158 H MET 21 H MET 21 5.789 -4.411 -4.411
159 HA MET 21 HA MET 21 4.529 -1.967 -1.967
160 1HB MET 21 2HB MET 21 6.630 -2.606 -2.606
161 2HB MET 21 1HB MET 21 6.070 -0.970 -0.970
162 1HG MET 21 2HG MET 21 7.407 -2.765 -2.765
163 2HG MET 21 1HG MET 21 8.088 -1.340 -1.340
164 1HE MET 21 2HE MET 21 5.902 0.694 0.694
165 2HE MET 21 1HE MET 21 5.824 1.468 1.468
166 3HE MET 21 3HE MET 21 7.395 1.263 1.263
167 1HN DNP 22 HN DAP 22 3.793 -4.100 -4.100
168 HA DNP 22 HA DAP 22 2.669 -2.121 -2.121
169 1HB DNP 22 1HB DAP 22 1.136 -3.893 -3.893
170 2HB DNP 22 2HB DAP 22 1.492 -4.909 -4.909
171 1HG DNP 22 1HG DAP 22 2.880 -4.798 -4.798
172 2HG DNP 22 2HG DAP 22 3.244 -5.729 -5.729
173 3HG DNP 22 3HG DAP 22 3.941 -4.185 -4.185
174 H TYR 23 H TYR 23 1.555 -3.588 -3.588
175 HA TYR 23 HA TYR 23 -0.884 -1.915 -1.915
176 1HB TYR 23 2HB TYR 23 -0.186 -3.439 -3.439
177 2HB TYR 23 1HB TYR 23 -1.738 -3.009 -3.009
178 HD1 TYR 23 1HD TYR 23 -2.321 -4.196 -4.196
179 HD2 TYR 23 2HD TYR 23 0.366 -5.642 -5.642
180 HE1 TYR 23 1HE TYR 23 -2.642 -6.482 -6.482
181 HE2 TYR 23 2HE TYR 23 0.061 -7.927 -7.927
182 HH TYR 23 HH TYR 23 -1.324 -8.671 -8.671
183 H ARG 24 H ARG 24 1.622 -2.395 -2.395
184 HA ARG 24 HA ARG 24 1.406 -0.057 -0.057
185 1HB ARG 24 2HB ARG 24 2.747 -2.351 -2.351
186 2HB ARG 24 1HB ARG 24 4.068 -1.422 -1.422
187 1HG ARG 24 2HG ARG 24 2.486 -0.093 -0.093
188 2HG ARG 24 1HG ARG 24 3.382 -1.502 -1.502
189 1HD ARG 24 2HD ARG 24 4.993 0.345 0.345
190 2HD ARG 24 1HD ARG 24 4.350 1.107 1.107
191 HE ARG 24 HE ARG 24 5.981 -1.381 -1.381
192 1HH1 ARG 24 1HH2 ARG 24 4.329 -0.628 -0.628
193 2HH1 ARG 24 2HH2 ARG 24 5.390 0.212 0.212
194 1HH2 ARG 24 2HH1 ARG 24 7.725 0.525 0.525
195 2HH2 ARG 24 1HH1 ARG 24 7.539 0.924 0.924
196 H LEU 25 H LEU 25 2.217 0.046 0.046
197 HA LEU 25 HA LEU 25 4.153 2.318 2.318
198 1HB LEU 25 2HB LEU 25 4.495 0.643 0.643
199 2HB LEU 25 1HB LEU 25 3.016 0.986 0.986
200 HG LEU 25 HG LEU 25 3.892 3.405 3.405
201 1HD1 LEU 25 1HD1 LEU 25 6.529 2.171 2.171
202 2HD1 LEU 25 3HD1 LEU 25 6.335 3.765 3.765
203 3HD1 LEU 25 2HD1 LEU 25 5.631 3.411 3.411
204 1HD2 LEU 25 3HD2 LEU 25 4.007 1.646 1.646
205 2HD2 LEU 25 2HD2 LEU 25 5.392 2.720 2.720
206 3HD2 LEU 25 1HD2 LEU 25 5.565 1.125 1.125
207 H SER 26 H SER 26 1.429 1.930 1.930
208 HA SER 26 HA SER 26 0.526 4.566 4.566
209 1HB SER 26 2HB SER 26 -0.510 4.659 4.659
210 2HB SER 26 1HB SER 26 1.267 4.702 4.702
211 HG SER 26 HG SER 26 1.043 2.911 2.911
212 H PHE 27 H PHE 27 -0.209 1.465 1.465
213 HA PHE 27 HA PHE 27 -3.150 2.112 2.112
214 1HB PHE 27 2HB PHE 27 -2.108 -0.612 -0.612
215 2HB PHE 27 1HB PHE 27 -3.697 -0.131 -0.131
216 HD1 PHE 27 2HD PHE 27 -1.451 1.467 1.467
217 HD2 PHE 27 1HD PHE 27 -3.251 -2.273 -2.273
218 HE1 PHE 27 2HE PHE 27 -1.084 0.681 0.681
219 HE2 PHE 27 1HE PHE 27 -2.872 -3.052 -3.052
220 HZ PHE 27 HZ PHE 27 -1.783 -1.583 -1.583
221 H CYS 28 H CYS 28 -0.742 1.103 1.103
222 HA CYS 28 HA CYS 28 -2.905 1.462 1.462
223 1HB CYS 28 2HB CYS 28 -0.350 0.328 0.328
224 2HB CYS 28 1HB CYS 28 -1.999 -0.215 -0.215
225 H ARG 29 H ARG 29 -1.757 3.618 3.618
226 HA ARG 29 HA ARG 29 0.363 5.008 5.008
227 1HB ARG 29 2HB ARG 29 -2.490 5.655 5.655
228 2HB ARG 29 1HB ARG 29 -1.565 6.916 6.916
229 1HG ARG 29 2HG ARG 29 -0.873 7.498 7.498
230 2HG ARG 29 1HG ARG 29 0.094 6.058 6.058
231 1HD ARG 29 2HD ARG 29 -1.085 5.630 5.630
232 2HD ARG 29 1HD ARG 29 -2.175 4.870 4.870
233 HE ARG 29 HE ARG 29 -3.449 7.081 7.081
234 1HH1 ARG 29 2HH1 ARG 29 -1.510 8.491 8.491
235 2HH1 ARG 29 1HH1 ARG 29 -2.128 8.268 8.268
236 1HH2 ARG 29 1HH2 ARG 29 -4.231 5.637 5.637
237 2HH2 ARG 29 2HH2 ARG 29 -3.849 6.516 6.516
238 H LYS 30 H LYS 30 -2.378 5.115 5.115
239 HA LYS 30 HA LYS 30 -0.698 6.184 6.184
240 1HB LYS 30 2HB LYS 30 -3.731 6.043 6.043
241 2HB LYS 30 1HB LYS 30 -2.987 6.757 6.757
242 1HG LYS 30 2HG LYS 30 -2.150 7.645 7.645
243 2HG LYS 30 1HG LYS 30 -3.628 8.266 8.266
244 1HD LYS 30 2HD LYS 30 -2.444 9.357 9.357
245 2HD LYS 30 1HD LYS 30 -1.055 8.315 8.315
246 1HE LYS 30 2HE LYS 30 -0.682 10.698 10.698
247 2HE LYS 30 1HE LYS 30 -0.236 9.439 9.439
248 1HZ LYS 30 1HZ LYS 30 -2.928 10.059 10.059
249 2HZ LYS 30 3HZ LYS 30 -2.051 11.534 11.534
250 3HZ LYS 30 2HZ LYS 30 -1.577 10.327 10.327
251 H THR 31 H THR 31 -2.974 3.792 3.792
252 HA THR 31 HA THR 31 -3.431 2.195 2.195
253 HB THR 31 HB THR 31 -2.890 1.547 1.547
254 HG1 THR 31 1HG THR 31 -4.877 2.511 2.511
255 1HG2 THR 31 1HG2 THR 31 -2.274 -0.510 -0.510
256 2HG2 THR 31 3HG2 THR 31 -3.876 -0.323 -0.323
257 3HG2 THR 31 2HG2 THR 31 -3.724 -0.634 -0.634
258 H CYS 32 H CYS 32 -0.443 2.355 2.355
259 HA CYS 32 HA CYS 32 0.886 0.619 0.619
260 1HB CYS 32 2HB CYS 32 1.443 1.202 1.202
261 2HB CYS 32 1HB CYS 32 2.787 0.827 0.827
262 H GLY 33 H GLY 33 1.276 3.327 3.327
263 1HA GLY 33 2HA GLY 33 1.554 5.607 5.607
264 2HA GLY 33 1HA GLY 33 2.638 4.862 4.862
265 H THR 34 H THR 34 2.292 4.720 4.720
266 HA THR 34 HA THR 34 5.163 5.489 5.489
267 HB THR 34 HB THR 34 4.442 4.153 4.153
268 HG1 THR 34 1HG THR 34 3.067 2.690 2.690
269 1HG2 THR 34 2HG2 THR 34 6.539 3.847 3.847
270 2HG2 THR 34 1HG2 THR 34 5.548 2.916 2.916
271 3HG2 THR 34 3HG2 THR 34 5.836 2.333 2.333
272 H CYS 35 HN CYS 35 2.271 6.967 6.967
273 HA CYS 35 HA CYS 35 3.186 8.496 8.496
274 1HB CYS 35 2HB CYS 35 1.145 8.411 8.411
275 2HB CYS 35 1HB CYS 35 0.972 7.041 7.041
Start of MODEL 4
1 1H ARG 1 3H ARG 1 0.677 16.189 16.189
2 2H ARG 1 2H ARG 1 2.119 16.251 16.251
3 3H ARG 1 1H ARG 1 1.112 17.623 17.623
4 HA ARG 1 HA ARG 1 -0.061 16.950 16.950
5 1HB ARG 1 2HB ARG 1 1.741 14.455 14.455
6 2HB ARG 1 1HB ARG 1 0.657 14.770 14.770
7 1HG ARG 1 2HG ARG 1 1.849 16.839 16.839
8 2HG ARG 1 1HG ARG 1 2.901 16.702 16.702
9 1HD ARG 1 2HD ARG 1 3.869 14.590 14.590
10 2HD ARG 1 1HD ARG 1 2.777 14.676 14.676
11 HE ARG 1 HE ARG 1 3.928 16.747 16.747
12 1HH1 ARG 1 1HH1 ARG 1 5.229 17.900 17.900
13 2HH1 ARG 1 2HH1 ARG 1 6.846 17.314 17.314
14 1HH2 ARG 1 1HH2 ARG 1 5.917 14.554 14.554
15 2HH2 ARG 1 2HH2 ARG 1 7.268 15.251 15.251
16 H SER 2 H SER 2 -1.793 15.251 15.251
17 HA SER 2 HA SER 2 -2.733 13.868 13.868
18 1HB SER 2 2HB SER 2 -4.520 15.007 15.007
19 2HB SER 2 1HB SER 2 -4.979 14.534 14.534
20 HG SER 2 HG SER 2 -4.291 16.902 16.902
21 H CYS 3 H CYS 3 -2.767 11.653 11.653
22 HA CYS 3 HA CYS 3 -3.496 10.593 10.593
23 1HB CYS 3 2HB CYS 3 -1.623 9.098 9.098
24 2HB CYS 3 1HB CYS 3 -0.968 10.705 10.705
25 H ILE 4 H ILE 4 -4.653 8.731 8.731
26 HA ILE 4 HA ILE 4 -5.108 7.785 7.785
27 HB ILE 4 HB ILE 4 -7.539 7.419 7.419
28 1HG1 ILE 4 2HG1 ILE 4 -8.250 9.137 9.137
29 2HG1 ILE 4 1HG1 ILE 4 -6.585 9.139 9.139
30 1HG2 ILE 4 3HG2 ILE 4 -6.968 9.238 9.238
31 2HG2 ILE 4 2HG2 ILE 4 -6.560 10.286 10.286
32 3HG2 ILE 4 1HG2 ILE 4 -8.223 9.756 9.756
33 1HD1 ILE 4 3HD1 ILE 4 -8.371 6.669 6.669
34 2HD1 ILE 4 2HD1 ILE 4 -7.941 7.554 7.554
35 3HD1 ILE 4 1HD1 ILE 4 -6.718 6.663 6.663
36 H ASP 5 H ASP 5 -5.952 5.718 5.718
37 HA ASP 5 HA ASP 5 -4.628 3.814 3.814
38 1HB ASP 5 2HB ASP 5 -6.684 3.269 3.269
39 2HB ASP 5 1HB ASP 5 -5.450 2.161 2.161
40 H THR 6 H THR 6 -5.826 2.031 2.031
41 HA THR 6 HA THR 6 -8.677 2.394 2.394
42 HB THR 6 HB THR 6 -7.361 3.870 3.870
43 HG1 THR 6 1HG THR 6 -8.853 3.261 3.261
44 1HG2 THR 6 1HG2 THR 6 -5.293 2.421 2.421
45 2HG2 THR 6 3HG2 THR 6 -6.225 1.203 1.203
46 3HG2 THR 6 2HG2 THR 6 -5.940 2.780 2.780
47 H ILE 7 H ILE 7 -6.907 0.752 0.752
48 HA ILE 7 HA ILE 7 -7.379 -1.858 -1.858
49 HB ILE 7 HB ILE 7 -4.972 -0.970 -0.970
50 1HG1 ILE 7 2HG1 ILE 7 -3.837 -2.988 -2.988
51 2HG1 ILE 7 1HG1 ILE 7 -5.313 -3.499 -3.499
52 1HG2 ILE 7 3HG2 ILE 7 -5.019 0.118 0.118
53 2HG2 ILE 7 2HG2 ILE 7 -5.041 -1.464 -1.464
54 3HG2 ILE 7 1HG2 ILE 7 -3.663 -0.960 -0.960
55 1HD1 ILE 7 1HD1 ILE 7 -6.412 -3.649 -3.649
56 2HD1 ILE 7 3HD1 ILE 7 -4.893 -3.150 -3.150
57 3HD1 ILE 7 2HD1 ILE 7 -5.008 -4.687 -4.687
58 HA PRO 8 HA PRO 8 -8.603 -3.294 -3.294
59 1HB PRO 8 2HB PRO 8 -7.984 -5.915 -5.915
60 2HB PRO 8 1HB PRO 8 -9.554 -5.222 -5.222
61 1HG PRO 8 2HG PRO 8 -7.035 -5.343 -5.343
62 2HG PRO 8 1HG PRO 8 -8.632 -6.020 -6.020
63 1HD PRO 8 2HD PRO 8 -8.228 -3.628 -3.628
64 2HD PRO 8 1HD PRO 8 -9.664 -3.790 -3.790
65 H LYS 9 H LYS 9 -7.127 -2.623 -2.623
66 HA LYS 9 HA LYS 9 -4.345 -2.562 -2.562
67 1HB LYS 9 2HB LYS 9 -5.714 -1.586 -1.586
68 2HB LYS 9 1HB LYS 9 -5.891 -3.200 -3.200
69 1HG LYS 9 2HG LYS 9 -3.081 -2.418 -2.418
70 2HG LYS 9 1HG LYS 9 -3.841 -1.562 -1.562
71 1HD LYS 9 2HD LYS 9 -4.183 -3.673 -3.673
72 2HD LYS 9 1HD LYS 9 -3.623 -4.565 -4.565
73 1HE LYS 9 2HE LYS 9 -1.747 -4.268 -4.268
74 2HE LYS 9 1HE LYS 9 -1.362 -3.567 -3.567
75 1HZ LYS 9 2HZ LYS 9 -2.690 -1.586 -1.586
76 2HZ LYS 9 1HZ LYS 9 -1.433 -2.235 -2.235
77 3HZ LYS 9 3HZ LYS 9 -1.121 -1.556 -1.556
78 H SER 10 H SER 10 -6.544 -4.995 -4.995
79 HA SER 10 HA SER 10 -5.189 -7.030 -7.030
80 1HB SER 10 2HB SER 10 -7.005 -7.672 -7.672
81 2HB SER 10 1HB SER 10 -7.117 -8.308 -8.308
82 HG SER 10 HG SER 10 -8.638 -6.766 -6.766
83 H ARG 11 H ARG 11 -5.096 -6.047 -6.047
84 HA ARG 11 HA ARG 11 -3.285 -8.152 -8.152
85 1HB ARG 11 2HB ARG 11 -5.048 -6.506 -6.506
86 2HB ARG 11 1HB ARG 11 -3.582 -5.575 -5.575
87 1HG ARG 11 2HG ARG 11 -3.608 -6.993 -6.993
88 2HG ARG 11 1HG ARG 11 -2.387 -7.628 -7.628
89 1HD ARG 11 2HD ARG 11 -4.155 -9.285 -9.285
90 2HD ARG 11 1HD ARG 11 -5.189 -8.742 -8.742
91 HE ARG 11 HE ARG 11 -2.469 -10.014 -10.014
92 1HH1 ARG 11 1HH2 ARG 11 -2.855 -8.825 -8.825
93 2HH1 ARG 11 2HH2 ARG 11 -3.862 -9.827 -9.827
94 1HH2 ARG 11 2HH1 ARG 11 -4.929 -11.606 -11.606
95 2HH2 ARG 11 1HH1 ARG 11 -5.105 -11.574 -11.574
96 H CYS 12 H CYS 12 -3.118 -5.025 -5.025
97 HA CYS 12 HA CYS 12 -0.244 -4.656 -4.656
98 1HB CYS 12 2HB CYS 12 -2.206 -2.932 -2.932
99 2HB CYS 12 1HB CYS 12 -0.755 -2.412 -2.412
100 H THR 13 H THR 13 -1.072 -6.797 -6.797
101 HA THR 13 HA THR 13 -0.752 -6.224 -6.224
102 HB THR 13 HB THR 13 -1.902 -8.327 -8.327
103 HG1 THR 13 1HG THR 13 -0.049 -9.785 -9.785
104 1HG2 THR 13 3HG2 THR 13 0.545 -9.048 -9.048
105 2HG2 THR 13 2HG2 THR 13 -0.839 -10.097 -10.097
106 3HG2 THR 13 1HG2 THR 13 -1.040 -8.654 -8.654
107 H ALA 14 H ALA 14 1.150 -6.821 -6.821
108 HA ALA 14 HA ALA 14 3.492 -5.622 -5.622
109 1HB ALA 14 1HB ALA 14 3.340 -8.051 -8.051
110 2HB ALA 14 3HB ALA 14 4.715 -6.972 -6.972
111 3HB ALA 14 2HB ALA 14 3.203 -6.379 -6.379
112 H PHE 15 H PHE 15 2.353 -8.709 -8.709
113 HA PHE 15 HA PHE 15 4.589 -10.101 -10.101
114 1HB PHE 15 2HB PHE 15 1.861 -10.568 -10.568
115 2HB PHE 15 1HB PHE 15 3.073 -11.712 -11.712
116 HD1 PHE 15 2HD PHE 15 3.194 -10.228 -10.228
117 HD2 PHE 15 1HD PHE 15 0.224 -12.060 -12.060
118 HE1 PHE 15 2HE PHE 15 1.869 -10.763 -10.763
119 HE2 PHE 15 1HE PHE 15 -1.086 -12.595 -12.595
120 HZ PHE 15 HZ PHE 15 -0.273 -11.947 -11.947
121 H GLN 16 H GLN 16 2.227 -8.072 -8.072
122 HA GLN 16 HA GLN 16 3.666 -8.147 -8.147
123 1HB GLN 16 2HB GLN 16 1.056 -6.724 -6.724
124 2HB GLN 16 1HB GLN 16 1.653 -7.335 -7.335
125 1HG GLN 16 2HG GLN 16 1.447 -9.594 -9.594
126 2HG GLN 16 1HG GLN 16 -0.062 -8.787 -8.787
127 1HE2 GLN 16 2HE2 GLN 16 1.603 -10.718 -10.718
128 2HE2 GLN 16 1HE2 GLN 16 2.637 -10.137 -10.137
129 H CYS 17 H CYS 17 2.347 -5.832 -5.832
130 HA CYS 17 HA CYS 17 3.182 -3.424 -3.424
131 1HB CYS 17 2HB CYS 17 2.040 -4.042 -4.042
132 2HB CYS 17 1HB CYS 17 3.646 -4.113 -4.113
133 H LYS 18 H LYS 18 5.075 -5.987 -5.987
134 HA LYS 18 HA LYS 18 7.543 -4.324 -4.324
135 1HB LYS 18 2HB LYS 18 7.105 -5.851 -5.851
136 2HB LYS 18 1HB LYS 18 7.230 -7.235 -7.235
137 1HG LYS 18 2HG LYS 18 9.576 -6.485 -6.485
138 2HG LYS 18 1HG LYS 18 9.465 -5.196 -5.196
139 1HD LYS 18 2HD LYS 18 9.375 -8.192 -8.192
140 2HD LYS 18 1HD LYS 18 10.702 -7.109 -7.109
141 1HE LYS 18 2HE LYS 18 9.065 -5.843 -5.843
142 2HE LYS 18 1HE LYS 18 7.922 -7.145 -7.145
143 1HZ LYS 18 2HZ LYS 18 10.392 -8.291 -8.291
144 2HZ LYS 18 1HZ LYS 18 10.025 -7.091 -7.091
145 3HZ LYS 18 3HZ LYS 18 8.916 -8.337 -8.337
146 H HIS 19 H HIS 19 5.934 -6.843 -6.843
147 HA HIS 19 HA HIS 19 8.294 -7.029 -7.029
148 1HB HIS 19 2HB HIS 19 6.209 -9.141 -9.141
149 2HB HIS 19 1HB HIS 19 7.375 -9.296 -9.296
150 HD1 HIS 19 1HD HIS 19 9.856 -9.579 -9.579
151 HD2 HIS 19 2HD HIS 19 7.221 -9.416 -9.416
152 HE1 HIS 19 1HE HIS 19 11.029 -10.332 -10.332
153 H SER 20 H SER 20 4.754 -6.952 -6.952
154 HA SER 20 HA SER 20 4.794 -6.676 -6.676
155 1HB SER 20 2HB SER 20 2.274 -6.505 -6.505
156 2HB SER 20 1HB SER 20 2.562 -7.254 -7.254
157 HG SER 20 HG SER 20 4.195 -8.474 -8.474
158 H MET 21 H MET 21 5.886 -4.581 -4.581
159 HA MET 21 HA MET 21 4.647 -2.219 -2.219
160 1HB MET 21 2HB MET 21 6.522 -2.660 -2.660
161 2HB MET 21 1HB MET 21 5.903 -1.063 -1.063
162 1HG MET 21 2HG MET 21 7.484 -2.865 -2.865
163 2HG MET 21 1HG MET 21 8.055 -1.393 -1.393
164 1HE MET 21 2HE MET 21 6.299 0.766 0.766
165 2HE MET 21 1HE MET 21 6.224 1.391 1.391
166 3HE MET 21 3HE MET 21 7.793 1.024 1.024
167 1HN DNP 22 HN DAP 22 3.767 -4.259 -4.259
168 HA DNP 22 HA DAP 22 2.311 -2.381 -2.381
169 1HB DNP 22 1HB DAP 22 2.506 -4.741 -4.741
170 2HB DNP 22 2HB DAP 22 0.809 -4.299 -4.299
171 1HG DNP 22 1HG DAP 22 0.549 -5.944 -5.944
172 2HG DNP 22 2HG DAP 22 1.635 -5.196 -5.196
173 3HG DNP 22 3HG DAP 22 2.192 -6.341 -6.341
174 H TYR 23 H TYR 23 1.753 -3.041 -3.041
175 HA TYR 23 HA TYR 23 -1.003 -1.977 -1.977
176 1HB TYR 23 2HB TYR 23 -0.074 -3.603 -3.603
177 2HB TYR 23 1HB TYR 23 -1.714 -3.240 -3.240
178 HD1 TYR 23 2HD TYR 23 -1.831 -4.037 -4.037
179 HD2 TYR 23 1HD TYR 23 0.133 -5.935 -5.935
180 HE1 TYR 23 2HE TYR 23 -2.006 -6.200 -6.200
181 HE2 TYR 23 1HE TYR 23 -0.025 -8.069 -8.069
182 HH TYR 23 HH TYR 23 -0.451 -9.082 -9.082
183 H ARG 24 H ARG 24 1.455 -2.305 -2.305
184 HA ARG 24 HA ARG 24 1.163 -0.100 -0.100
185 1HB ARG 24 2HB ARG 24 2.549 -1.873 -1.873
186 2HB ARG 24 1HB ARG 24 3.618 -1.506 -1.506
187 1HG ARG 24 2HG ARG 24 4.382 0.370 0.370
188 2HG ARG 24 1HG ARG 24 2.943 0.683 0.683
189 1HD ARG 24 2HD ARG 24 3.963 -0.174 -0.174
190 2HD ARG 24 1HD ARG 24 3.966 -1.707 -1.707
191 HE ARG 24 HE ARG 24 6.219 -0.970 -0.970
192 1HH1 ARG 24 1HH2 ARG 24 6.457 1.586 1.586
193 2HH1 ARG 24 2HH2 ARG 24 7.132 1.479 1.479
194 1HH2 ARG 24 2HH1 ARG 24 6.250 -2.010 -2.010
195 2HH2 ARG 24 1HH1 ARG 24 7.009 -0.866 -0.866
196 H LEU 25 H LEU 25 2.675 -0.170 -0.170
197 HA LEU 25 HA LEU 25 4.053 2.301 2.301
198 1HB LEU 25 2HB LEU 25 4.340 0.560 0.560
199 2HB LEU 25 1HB LEU 25 2.830 0.810 0.810
200 HG LEU 25 HG LEU 25 3.435 3.116 3.116
201 1HD1 LEU 25 2HD1 LEU 25 6.180 2.580 2.580
202 2HD1 LEU 25 1HD1 LEU 25 5.764 3.977 3.977
203 3HD1 LEU 25 3HD1 LEU 25 5.018 3.758 3.758
204 1HD2 LEU 25 3HD2 LEU 25 3.975 1.230 1.230
205 2HD2 LEU 25 2HD2 LEU 25 5.150 2.520 2.520
206 3HD2 LEU 25 1HD2 LEU 25 5.564 1.078 1.078
207 H SER 26 H SER 26 1.254 1.729 1.729
208 HA SER 26 HA SER 26 0.360 4.517 4.517
209 1HB SER 26 2HB SER 26 -0.545 4.302 4.302
210 2HB SER 26 1HB SER 26 1.209 4.508 4.508
211 HG SER 26 HG SER 26 -0.249 2.254 2.254
212 H PHE 27 H PHE 27 -0.386 1.446 1.446
213 HA PHE 27 HA PHE 27 -3.332 2.043 2.043
214 1HB PHE 27 2HB PHE 27 -2.281 -0.664 -0.664
215 2HB PHE 27 1HB PHE 27 -3.819 -0.220 -0.220
216 HD1 PHE 27 1HD PHE 27 -0.224 0.345 0.345
217 HD2 PHE 27 2HD PHE 27 -4.168 -0.932 -0.932
218 HE1 PHE 27 1HE PHE 27 0.521 -0.061 -0.061
219 HE2 PHE 27 2HE PHE 27 -3.380 -1.372 -1.372
220 HZ PHE 27 HZ PHE 27 -1.021 -0.953 -0.953
221 H CYS 28 H CYS 28 -0.985 1.141 1.141
222 HA CYS 28 HA CYS 28 -3.082 1.514 1.514
223 1HB CYS 28 2HB CYS 28 -0.542 0.259 0.259
224 2HB CYS 28 1HB CYS 28 -2.194 -0.237 -0.237
225 H ARG 29 H ARG 29 -1.883 3.508 3.508
226 HA ARG 29 HA ARG 29 0.345 4.841 4.841
227 1HB ARG 29 2HB ARG 29 -2.525 5.560 5.560
228 2HB ARG 29 1HB ARG 29 -1.399 6.861 6.861
229 1HG ARG 29 2HG ARG 29 -0.137 5.588 5.588
230 2HG ARG 29 1HG ARG 29 -1.518 4.525 4.525
231 1HD ARG 29 2HD ARG 29 -2.443 5.885 5.885
232 2HD ARG 29 1HD ARG 29 -2.658 7.070 7.070
233 HE ARG 29 HE ARG 29 -0.302 7.870 7.870
234 1HH1 ARG 29 2HH1 ARG 29 -2.743 7.561 7.561
235 2HH1 ARG 29 1HH1 ARG 29 -1.853 7.652 7.652
236 1HH2 ARG 29 1HH2 ARG 29 1.236 7.368 7.368
237 2HH2 ARG 29 2HH2 ARG 29 0.574 7.572 7.572
238 H LYS 30 H LYS 30 -2.447 5.110 5.110
239 HA LYS 30 HA LYS 30 -0.707 6.148 6.148
240 1HB LYS 30 2HB LYS 30 -3.741 6.137 6.137
241 2HB LYS 30 1HB LYS 30 -2.897 6.917 6.917
242 1HG LYS 30 2HG LYS 30 -2.467 7.535 7.535
243 2HG LYS 30 1HG LYS 30 -3.407 8.539 8.539
244 1HD LYS 30 2HD LYS 30 -1.165 8.500 8.500
245 2HD LYS 30 1HD LYS 30 -0.416 7.965 7.965
246 1HE LYS 30 2HE LYS 30 -1.176 9.974 9.974
247 2HE LYS 30 1HE LYS 30 -1.895 10.572 10.572
248 1HZ LYS 30 1HZ LYS 30 0.814 9.697 9.697
249 2HZ LYS 30 3HZ LYS 30 0.786 10.714 10.714
250 3HZ LYS 30 2HZ LYS 30 0.196 11.281 11.281
251 H THR 31 H THR 31 -2.973 3.761 3.761
252 HA THR 31 HA THR 31 -3.389 2.363 2.363
253 HB THR 31 HB THR 31 -3.098 1.451 1.451
254 HG1 THR 31 1HG THR 31 -4.892 2.699 2.699
255 1HG2 THR 31 2HG2 THR 31 -4.131 -0.122 -0.122
256 2HG2 THR 31 1HG2 THR 31 -4.121 -0.584 -0.584
257 3HG2 THR 31 3HG2 THR 31 -2.599 -0.506 -0.506
258 H CYS 32 H CYS 32 -0.466 2.521 2.521
259 HA CYS 32 HA CYS 32 0.845 0.637 0.637
260 1HB CYS 32 2HB CYS 32 1.281 1.269 1.269
261 2HB CYS 32 1HB CYS 32 2.684 0.980 0.980
262 H GLY 33 H GLY 33 1.292 3.528 3.528
263 1HA GLY 33 2HA GLY 33 1.804 5.666 5.666
264 2HA GLY 33 1HA GLY 33 2.872 4.736 4.736
265 H THR 34 H THR 34 2.306 4.995 4.995
266 HA THR 34 HA THR 34 5.229 5.084 5.084
267 HB THR 34 HB THR 34 4.087 4.895 4.895
268 HG1 THR 34 1HG THR 34 2.219 3.505 3.505
269 1HG2 THR 34 3HG2 THR 34 5.566 3.159 3.159
270 2HG2 THR 34 2HG2 THR 34 4.123 2.576 2.576
271 3HG2 THR 34 1HG2 THR 34 4.268 2.454 2.454
272 H CYS 35 HN CYS 35 2.289 6.941 6.941
273 HA CYS 35 HA CYS 35 4.080 9.210 9.210
274 1HB CYS 35 2HB CYS 35 2.196 9.832 9.832
275 2HB CYS 35 1HB CYS 35 3.001 8.394 8.394
Start of MODEL 5
1 1H ARG 1 2H ARG 1 0.112 17.159 17.159
2 2H ARG 1 1H ARG 1 1.477 17.316 17.316
3 3H ARG 1 3H ARG 1 0.324 18.571 18.571
4 HA ARG 1 HA ARG 1 -0.900 17.628 17.628
5 1HB ARG 1 2HB ARG 1 1.266 15.425 15.425
6 2HB ARG 1 1HB ARG 1 0.072 15.570 15.570
7 1HG ARG 1 2HG ARG 1 0.883 17.968 17.968
8 2HG ARG 1 1HG ARG 1 2.210 17.667 17.667
9 1HD ARG 1 2HD ARG 1 1.664 16.166 16.166
10 2HD ARG 1 1HD ARG 1 2.874 17.411 17.411
11 HE ARG 1 HE ARG 1 3.885 15.768 15.768
12 1HH1 ARG 1 1HH1 ARG 1 2.618 13.382 13.382
13 2HH1 ARG 1 2HH1 ARG 1 3.090 12.481 12.481
14 1HH2 ARG 1 1HH2 ARG 1 4.260 15.410 15.410
15 2HH2 ARG 1 2HH2 ARG 1 4.080 13.703 13.703
16 H SER 2 H SER 2 -2.117 15.318 15.318
17 HA SER 2 HA SER 2 -2.932 14.222 14.222
18 1HB SER 2 2HB SER 2 -5.231 14.069 14.069
19 2HB SER 2 1HB SER 2 -4.696 15.685 15.685
20 HG SER 2 HG SER 2 -5.106 14.977 14.977
21 H CYS 3 H CYS 3 -3.769 12.121 12.121
22 HA CYS 3 HA CYS 3 -3.635 10.346 10.346
23 1HB CYS 3 2HB CYS 3 -1.744 8.988 8.988
24 2HB CYS 3 1HB CYS 3 -1.211 10.607 10.607
25 H ILE 4 H ILE 4 -4.955 8.599 8.599
26 HA ILE 4 HA ILE 4 -5.574 8.016 8.016
27 HB ILE 4 HB ILE 4 -8.007 7.807 7.807
28 1HG1 ILE 4 2HG1 ILE 4 -8.497 9.345 9.345
29 2HG1 ILE 4 1HG1 ILE 4 -6.835 9.087 9.087
30 1HG2 ILE 4 2HG2 ILE 4 -7.294 9.800 9.800
31 2HG2 ILE 4 1HG2 ILE 4 -6.778 10.588 10.588
32 3HG2 ILE 4 3HG2 ILE 4 -8.481 10.248 10.248
33 1HD1 ILE 4 2HD1 ILE 4 -8.898 6.880 6.880
34 2HD1 ILE 4 1HD1 ILE 4 -8.335 7.494 7.494
35 3HD1 ILE 4 3HD1 ILE 4 -7.252 6.606 6.606
36 H ASP 5 H ASP 5 -6.284 5.680 5.680
37 HA ASP 5 HA ASP 5 -4.819 4.103 4.103
38 1HB ASP 5 2HB ASP 5 -6.790 3.043 3.043
39 2HB ASP 5 1HB ASP 5 -5.407 2.217 2.217
40 H THR 6 H THR 6 -5.847 2.308 2.308
41 HA THR 6 HA THR 6 -8.736 2.493 2.493
42 HB THR 6 HB THR 6 -7.333 4.135 4.135
43 HG1 THR 6 1HG THR 6 -9.080 3.802 3.802
44 1HG2 THR 6 2HG2 THR 6 -5.486 2.443 2.443
45 2HG2 THR 6 1HG2 THR 6 -6.698 1.487 1.487
46 3HG2 THR 6 3HG2 THR 6 -6.292 3.095 3.095
47 H ILE 7 H ILE 7 -6.800 0.854 0.854
48 HA ILE 7 HA ILE 7 -7.084 -1.705 -1.705
49 HB ILE 7 HB ILE 7 -4.684 -0.692 -0.692
50 1HG1 ILE 7 2HG1 ILE 7 -3.688 -2.875 -2.875
51 2HG1 ILE 7 1HG1 ILE 7 -5.322 -3.476 -3.476
52 1HG2 ILE 7 2HG2 ILE 7 -5.004 0.079 0.079
53 2HG2 ILE 7 1HG2 ILE 7 -5.234 -1.585 -1.585
54 3HG2 ILE 7 3HG2 ILE 7 -3.705 -1.082 -1.082
55 1HD1 ILE 7 2HD1 ILE 7 -5.626 -2.995 -2.995
56 2HD1 ILE 7 1HD1 ILE 7 -3.954 -2.453 -2.453
57 3HD1 ILE 7 3HD1 ILE 7 -4.325 -4.139 -4.139
58 HA PRO 8 HA PRO 8 -8.503 -3.061 -3.061
59 1HB PRO 8 2HB PRO 8 -8.256 -5.720 -5.720
60 2HB PRO 8 1HB PRO 8 -9.580 -4.907 -4.907
61 1HG PRO 8 2HG PRO 8 -6.776 -5.517 -5.517
62 2HG PRO 8 1HG PRO 8 -8.320 -6.068 -6.068
63 1HD PRO 8 2HD PRO 8 -7.244 -3.828 -3.828
64 2HD PRO 8 1HD PRO 8 -8.984 -3.828 -3.828
65 H LYS 9 H LYS 9 -7.118 -2.749 -2.749
66 HA LYS 9 HA LYS 9 -4.338 -2.664 -2.664
67 1HB LYS 9 2HB LYS 9 -5.807 -1.764 -1.764
68 2HB LYS 9 1HB LYS 9 -5.945 -3.409 -3.409
69 1HG LYS 9 2HG LYS 9 -3.211 -2.405 -2.405
70 2HG LYS 9 1HG LYS 9 -4.036 -1.733 -1.733
71 1HD LYS 9 2HD LYS 9 -3.995 -3.863 -3.863
72 2HD LYS 9 1HD LYS 9 -3.568 -4.661 -4.661
73 1HE LYS 9 2HE LYS 9 -1.478 -4.250 -4.250
74 2HE LYS 9 1HE LYS 9 -1.374 -3.503 -3.503
75 1HZ LYS 9 2HZ LYS 9 -2.597 -1.676 -1.676
76 2HZ LYS 9 1HZ LYS 9 -1.147 -2.218 -2.218
77 3HZ LYS 9 3HZ LYS 9 -1.181 -1.449 -1.449
78 H SER 10 H SER 10 -6.579 -5.080 -5.080
79 HA SER 10 HA SER 10 -5.239 -7.143 -7.143
80 1HB SER 10 2HB SER 10 -7.054 -7.809 -7.809
81 2HB SER 10 1HB SER 10 -7.234 -8.351 -8.351
82 HG SER 10 HG SER 10 -8.727 -6.785 -6.785
83 H ARG 11 H ARG 11 -5.139 -5.997 -5.997
84 HA ARG 11 HA ARG 11 -3.454 -8.133 -8.133
85 1HB ARG 11 2HB ARG 11 -5.227 -6.673 -6.673
86 2HB ARG 11 1HB ARG 11 -3.998 -5.418 -5.418
87 1HG ARG 11 2HG ARG 11 -3.886 -6.552 -6.552
88 2HG ARG 11 1HG ARG 11 -2.484 -6.997 -6.997
89 1HD ARG 11 2HD ARG 11 -3.552 -9.094 -9.094
90 2HD ARG 11 1HD ARG 11 -5.010 -8.677 -8.677
91 HE ARG 11 HE ARG 11 -2.311 -8.943 -8.943
92 1HH1 ARG 11 1HH2 ARG 11 -4.741 -8.223 -8.223
93 2HH1 ARG 11 2HH2 ARG 11 -5.215 -9.700 -9.700
94 1HH2 ARG 11 2HH1 ARG 11 -3.238 -11.518 -11.518
95 2HH2 ARG 11 1HH1 ARG 11 -4.303 -11.759 -11.759
96 H CYS 12 H CYS 12 -3.154 -4.985 -4.985
97 HA CYS 12 HA CYS 12 -0.198 -5.006 -5.006
98 1HB CYS 12 2HB CYS 12 -2.148 -2.859 -2.859
99 2HB CYS 12 1HB CYS 12 -0.909 -2.673 -2.673
100 H THR 13 H THR 13 -1.269 -6.920 -6.920
101 HA THR 13 HA THR 13 -1.237 -6.464 -6.464
102 HB THR 13 HB THR 13 -2.218 -8.573 -8.573
103 HG1 THR 13 1HG THR 13 -0.184 -9.944 -9.944
104 1HG2 THR 13 2HG2 THR 13 0.491 -9.225 -9.225
105 2HG2 THR 13 1HG2 THR 13 -0.927 -10.275 -10.275
106 3HG2 THR 13 3HG2 THR 13 -0.977 -8.790 -8.790
107 H ALA 14 H ALA 14 0.521 -7.233 -7.233
108 HA ALA 14 HA ALA 14 2.889 -5.779 -5.779
109 1HB ALA 14 1HB ALA 14 2.559 -8.397 -8.397
110 2HB ALA 14 3HB ALA 14 3.869 -7.247 -7.247
111 3HB ALA 14 2HB ALA 14 2.232 -6.790 -6.790
112 H PHE 15 H PHE 15 2.018 -8.719 -8.719
113 HA PHE 15 HA PHE 15 4.641 -9.709 -9.709
114 1HB PHE 15 2HB PHE 15 2.242 -10.636 -10.636
115 2HB PHE 15 1HB PHE 15 3.511 -11.564 -11.564
116 HD1 PHE 15 2HD PHE 15 2.994 -10.228 -10.228
117 HD2 PHE 15 1HD PHE 15 0.523 -12.108 -12.108
118 HE1 PHE 15 2HE PHE 15 1.412 -10.884 -10.884
119 HE2 PHE 15 1HE PHE 15 -1.047 -12.764 -12.764
120 HZ PHE 15 HZ PHE 15 -0.611 -12.148 -12.148
121 H GLN 16 H GLN 16 2.134 -7.858 -7.858
122 HA GLN 16 HA GLN 16 3.757 -7.726 -7.726
123 1HB GLN 16 2HB GLN 16 0.911 -6.733 -6.733
124 2HB GLN 16 1HB GLN 16 1.528 -7.062 -7.062
125 1HG GLN 16 2HG GLN 16 1.978 -9.458 -9.458
126 2HG GLN 16 1HG GLN 16 0.351 -8.880 -8.880
127 1HE2 GLN 16 2HE2 GLN 16 1.563 -10.495 -10.495
128 2HE2 GLN 16 1HE2 GLN 16 2.730 -10.063 -10.063
129 H CYS 17 H CYS 17 2.685 -5.961 -5.961
130 HA CYS 17 HA CYS 17 3.043 -3.239 -3.239
131 1HB CYS 17 2HB CYS 17 2.246 -4.477 -4.477
132 2HB CYS 17 1HB CYS 17 3.853 -4.079 -4.079
133 H LYS 18 H LYS 18 5.240 -5.649 -5.649
134 HA LYS 18 HA LYS 18 7.478 -3.694 -3.694
135 1HB LYS 18 2HB LYS 18 7.190 -5.514 -5.514
136 2HB LYS 18 1HB LYS 18 8.077 -6.506 -6.506
137 1HG LYS 18 2HG LYS 18 9.748 -5.440 -5.440
138 2HG LYS 18 1HG LYS 18 9.801 -4.626 -4.626
139 1HD LYS 18 2HD LYS 18 8.271 -2.816 -2.816
140 2HD LYS 18 1HD LYS 18 8.326 -3.645 -3.645
141 1HE LYS 18 2HE LYS 18 10.851 -3.344 -3.344
142 2HE LYS 18 1HE LYS 18 10.697 -2.394 -2.394
143 1HZ LYS 18 1HZ LYS 18 8.876 -1.385 -1.385
144 2HZ LYS 18 3HZ LYS 18 10.385 -1.544 -1.544
145 3HZ LYS 18 2HZ LYS 18 10.242 -0.595 -0.595
146 H HIS 19 H HIS 19 6.296 -6.868 -6.868
147 HA HIS 19 HA HIS 19 8.326 -6.755 -6.755
148 1HB HIS 19 2HB HIS 19 6.719 -9.150 -9.150
149 2HB HIS 19 1HB HIS 19 8.075 -9.155 -9.155
150 HD1 HIS 19 1HD HIS 19 10.381 -8.288 -8.288
151 HD2 HIS 19 2HD HIS 19 7.437 -9.333 -9.333
152 HE1 HIS 19 1HE HIS 19 11.436 -8.629 -8.629
153 H SER 20 H SER 20 5.364 -5.618 -5.618
154 HA SER 20 HA SER 20 4.730 -6.688 -6.688
155 1HB SER 20 2HB SER 20 2.830 -5.948 -5.948
156 2HB SER 20 1HB SER 20 2.358 -6.468 -6.468
157 HG SER 20 HG SER 20 2.621 -8.446 -8.446
158 H MET 21 H MET 21 6.012 -4.675 -4.675
159 HA MET 21 HA MET 21 4.994 -2.088 -2.088
160 1HB MET 21 2HB MET 21 6.479 -3.146 -3.146
161 2HB MET 21 1HB MET 21 6.003 -1.466 -1.466
162 1HG MET 21 2HG MET 21 7.241 -2.171 -2.171
163 2HG MET 21 1HG MET 21 8.261 -2.744 -2.744
164 1HE MET 21 2HE MET 21 5.821 0.014 0.014
165 2HE MET 21 1HE MET 21 6.852 0.761 0.761
166 3HE MET 21 3HE MET 21 6.648 1.489 1.489
167 1HN DNP 22 HN DAP 22 3.614 -4.489 -4.489
168 HA DNP 22 HA DAP 22 2.129 -2.589 -2.589
169 1HB DNP 22 1HB DAP 22 1.999 -5.017 -5.017
170 2HB DNP 22 2HB DAP 22 0.384 -4.454 -4.454
171 1HG DNP 22 1HG DAP 22 1.838 -6.524 -6.524
172 2HG DNP 22 2HG DAP 22 0.272 -6.017 -6.017
173 3HG DNP 22 3HG DAP 22 1.545 -5.320 -5.320
174 H TYR 23 H TYR 23 1.741 -3.389 -3.389
175 HA TYR 23 HA TYR 23 -0.749 -1.722 -1.722
176 1HB TYR 23 2HB TYR 23 -0.057 -3.514 -3.514
177 2HB TYR 23 1HB TYR 23 -1.629 -2.999 -2.999
178 HD1 TYR 23 1HD TYR 23 -2.106 -3.819 -3.819
179 HD2 TYR 23 2HD TYR 23 0.338 -5.767 -5.767
180 HE1 TYR 23 1HE TYR 23 -2.453 -5.948 -5.948
181 HE2 TYR 23 2HE TYR 23 0.016 -7.889 -7.889
182 HH TYR 23 HH TYR 23 -1.953 -8.203 -8.203
183 H ARG 24 H ARG 24 2.243 -2.501 -2.501
184 HA ARG 24 HA ARG 24 2.392 -0.288 -0.288
185 1HB ARG 24 2HB ARG 24 3.830 -2.739 -2.739
186 2HB ARG 24 1HB ARG 24 5.015 -1.489 -1.489
187 1HG ARG 24 2HG ARG 24 2.988 -2.027 -2.027
188 2HG ARG 24 1HG ARG 24 4.682 -2.567 -2.567
189 1HD ARG 24 2HD ARG 24 3.536 0.221 0.221
190 2HD ARG 24 1HD ARG 24 4.551 -0.614 -0.614
191 HE ARG 24 HE ARG 24 5.538 0.364 0.364
192 1HH1 ARG 24 2HH1 ARG 24 6.432 -1.158 -1.158
193 2HH1 ARG 24 1HH1 ARG 24 7.775 -0.168 -0.168
194 1HH2 ARG 24 1HH2 ARG 24 7.033 2.180 2.180
195 2HH2 ARG 24 2HH2 ARG 24 8.154 1.828 1.828
196 H LEU 25 H LEU 25 2.054 0.303 0.303
197 HA LEU 25 HA LEU 25 4.370 2.096 2.096
198 1HB LEU 25 2HB LEU 25 4.038 0.577 0.577
199 2HB LEU 25 1HB LEU 25 2.356 0.671 0.671
200 HG LEU 25 HG LEU 25 2.596 3.085 3.085
201 1HD1 LEU 25 3HD1 LEU 25 5.599 2.568 2.568
202 2HD1 LEU 25 2HD1 LEU 25 4.851 3.972 3.972
203 3HD1 LEU 25 1HD1 LEU 25 4.716 3.723 3.723
204 1HD2 LEU 25 1HD2 LEU 25 2.630 1.199 1.199
205 2HD2 LEU 25 3HD2 LEU 25 3.660 2.510 2.510
206 3HD2 LEU 25 2HD2 LEU 25 4.373 1.078 1.078
207 H SER 26 H SER 26 1.115 2.177 2.177
208 HA SER 26 HA SER 26 0.633 4.655 4.655
209 1HB SER 26 2HB SER 26 1.458 5.085 5.085
210 2HB SER 26 1HB SER 26 -0.136 4.472 4.472
211 HG SER 26 HG SER 26 0.379 6.846 6.846
212 H PHE 27 H PHE 27 -0.294 1.664 1.664
213 HA PHE 27 HA PHE 27 -3.213 2.338 2.338
214 1HB PHE 27 2HB PHE 27 -2.132 -0.386 -0.386
215 2HB PHE 27 1HB PHE 27 -3.732 0.030 0.030
216 HD1 PHE 27 2HD PHE 27 -1.084 1.688 1.688
217 HD2 PHE 27 1HD PHE 27 -3.415 -1.864 -1.864
218 HE1 PHE 27 2HE PHE 27 -0.526 1.024 1.024
219 HE2 PHE 27 1HE PHE 27 -2.846 -2.507 -2.507
220 HZ PHE 27 HZ PHE 27 -1.395 -1.078 -1.078
221 H CYS 28 H CYS 28 -1.038 1.113 1.113
222 HA CYS 28 HA CYS 28 -3.261 1.630 1.630
223 1HB CYS 28 2HB CYS 28 -0.771 0.297 0.297
224 2HB CYS 28 1HB CYS 28 -2.426 -0.211 -0.211
225 H ARG 29 H ARG 29 -2.171 3.674 3.674
226 HA ARG 29 HA ARG 29 0.012 5.052 5.052
227 1HB ARG 29 2HB ARG 29 -2.869 5.653 5.653
228 2HB ARG 29 1HB ARG 29 -1.790 6.937 6.937
229 1HG ARG 29 2HG ARG 29 -0.660 6.951 6.951
230 2HG ARG 29 1HG ARG 29 -1.055 5.285 5.285
231 1HD ARG 29 2HD ARG 29 -3.290 5.771 5.771
232 2HD ARG 29 1HD ARG 29 -3.184 7.439 7.439
233 HE ARG 29 HE ARG 29 -1.708 6.242 6.242
234 1HH1 ARG 29 2HH1 ARG 29 -0.652 8.681 8.681
235 2HH1 ARG 29 1HH1 ARG 29 -1.333 9.968 9.968
236 1HH2 ARG 29 1HH2 ARG 29 -3.833 7.659 7.659
237 2HH2 ARG 29 2HH2 ARG 29 -3.348 9.314 9.314
238 H LYS 30 H LYS 30 -2.635 5.133 5.133
239 HA LYS 30 HA LYS 30 -0.650 5.796 5.796
240 1HB LYS 30 2HB LYS 30 -3.659 6.295 6.295
241 2HB LYS 30 1HB LYS 30 -2.531 6.850 6.850
242 1HG LYS 30 2HG LYS 30 -1.220 7.809 7.809
243 2HG LYS 30 1HG LYS 30 -2.822 7.742 7.742
244 1HD LYS 30 2HD LYS 30 -3.712 9.232 9.232
245 2HD LYS 30 1HD LYS 30 -2.201 9.175 9.175
246 1HE LYS 30 2HE LYS 30 -1.051 10.049 10.049
247 2HE LYS 30 1HE LYS 30 -2.669 10.401 10.401
248 1HZ LYS 30 3HZ LYS 30 -2.455 11.460 11.460
249 2HZ LYS 30 2HZ LYS 30 -1.056 11.878 11.878
250 3HZ LYS 30 1HZ LYS 30 -2.596 12.280 12.280
251 H THR 31 H THR 31 -2.341 3.369 3.369
252 HA THR 31 HA THR 31 -3.167 2.028 2.028
253 HB THR 31 HB THR 31 -3.144 1.358 1.358
254 HG1 THR 31 1HG THR 31 -4.780 2.580 2.580
255 1HG2 THR 31 3HG2 THR 31 -4.087 -0.387 -0.387
256 2HG2 THR 31 2HG2 THR 31 -4.243 -0.660 -0.660
257 3HG2 THR 31 1HG2 THR 31 -2.648 -0.771 -0.771
258 H CYS 32 H CYS 32 -0.397 2.327 2.327
259 HA CYS 32 HA CYS 32 1.070 0.434 0.434
260 1HB CYS 32 2HB CYS 32 1.165 0.663 0.663
261 2HB CYS 32 1HB CYS 32 2.665 0.405 0.405
262 H GLY 33 H GLY 33 1.223 3.119 3.119
263 1HA GLY 33 2HA GLY 33 1.948 5.346 5.346
264 2HA GLY 33 1HA GLY 33 3.138 4.462 4.462
265 H THR 34 H THR 34 2.071 4.628 4.628
266 HA THR 34 HA THR 34 4.907 4.386 4.386
267 HB THR 34 HB THR 34 3.884 3.829 3.829
268 HG1 THR 34 1HG THR 34 1.992 4.464 4.464
269 1HG2 THR 34 1HG2 THR 34 2.433 2.448 2.448
270 2HG2 THR 34 3HG2 THR 34 2.587 1.823 1.823
271 3HG2 THR 34 2HG2 THR 34 4.023 2.008 2.008
272 H CYS 35 HN CYS 35 2.276 6.671 6.671
273 HA CYS 35 HA CYS 35 3.745 8.591 8.591
274 1HB CYS 35 2HB CYS 35 1.605 9.611 9.611
275 2HB CYS 35 1HB CYS 35 1.525 8.004 8.004
Start of MODEL 6
1 1H ARG 1 3H ARG 1 -2.368 18.532 18.532
2 2H ARG 1 2H ARG 1 -0.915 19.217 19.217
3 3H ARG 1 1H ARG 1 -2.346 19.433 19.433
4 HA ARG 1 HA ARG 1 -1.960 17.552 17.552
5 1HB ARG 1 2HB ARG 1 0.439 17.366 17.366
6 2HB ARG 1 1HB ARG 1 0.120 16.121 16.121
7 1HG ARG 1 2HG ARG 1 1.846 17.651 17.651
8 2HG ARG 1 1HG ARG 1 0.478 17.607 17.607
9 1HD ARG 1 2HD ARG 1 -0.254 19.856 19.856
10 2HD ARG 1 1HD ARG 1 0.979 19.856 19.856
11 HE ARG 1 HE ARG 1 2.698 19.907 19.907
12 1HH1 ARG 1 1HH2 ARG 1 1.165 18.881 18.881
13 2HH1 ARG 1 2HH2 ARG 1 0.769 20.249 20.249
14 1HH2 ARG 1 1HH1 ARG 1 1.504 22.412 22.412
15 2HH2 ARG 1 2HH1 ARG 1 0.986 22.431 22.431
16 H SER 2 H SER 2 -2.516 15.193 15.193
17 HA SER 2 HA SER 2 -2.942 14.272 14.272
18 1HB SER 2 2HB SER 2 -5.272 14.680 14.680
19 2HB SER 2 1HB SER 2 -5.424 13.960 13.960
20 HG SER 2 HG SER 2 -4.137 16.103 16.103
21 H CYS 3 H CYS 3 -3.474 11.976 11.976
22 HA CYS 3 HA CYS 3 -3.331 10.526 10.526
23 1HB CYS 3 2HB CYS 3 -1.379 9.286 9.286
24 2HB CYS 3 1HB CYS 3 -0.979 10.966 10.966
25 H ILE 4 H ILE 4 -4.752 8.775 8.775
26 HA ILE 4 HA ILE 4 -5.411 7.986 7.986
27 HB ILE 4 HB ILE 4 -7.802 7.789 7.789
28 1HG1 ILE 4 2HG1 ILE 4 -8.329 9.268 9.268
29 2HG1 ILE 4 1HG1 ILE 4 -6.671 9.077 9.077
30 1HG2 ILE 4 2HG2 ILE 4 -7.036 9.792 9.792
31 2HG2 ILE 4 1HG2 ILE 4 -6.557 10.564 10.564
32 3HG2 ILE 4 3HG2 ILE 4 -8.247 10.230 10.230
33 1HD1 ILE 4 3HD1 ILE 4 -8.686 6.819 6.819
34 2HD1 ILE 4 2HD1 ILE 4 -8.127 7.423 7.423
35 3HD1 ILE 4 1HD1 ILE 4 -7.035 6.548 6.548
36 H ASP 5 H ASP 5 -6.160 5.879 5.879
37 HA ASP 5 HA ASP 5 -4.794 3.956 3.956
38 1HB ASP 5 2HB ASP 5 -6.899 3.348 3.348
39 2HB ASP 5 1HB ASP 5 -5.680 2.267 2.267
40 H THR 6 H THR 6 -5.982 2.243 2.243
41 HA THR 6 HA THR 6 -8.869 2.601 2.601
42 HB THR 6 HB THR 6 -7.869 4.179 4.179
43 HG1 THR 6 1HG THR 6 -8.611 1.674 1.674
44 1HG2 THR 6 3HG2 THR 6 -6.262 1.788 1.788
45 2HG2 THR 6 2HG2 THR 6 -6.302 3.397 3.397
46 3HG2 THR 6 1HG2 THR 6 -5.573 3.147 3.147
47 H ILE 7 H ILE 7 -7.081 0.890 0.890
48 HA ILE 7 HA ILE 7 -7.624 -1.637 -1.637
49 HB ILE 7 HB ILE 7 -5.254 -0.731 -0.731
50 1HG1 ILE 7 2HG1 ILE 7 -4.017 -2.752 -2.752
51 2HG1 ILE 7 1HG1 ILE 7 -5.484 -3.349 -3.349
52 1HG2 ILE 7 3HG2 ILE 7 -5.110 0.309 0.309
53 2HG2 ILE 7 2HG2 ILE 7 -5.085 -1.280 -1.280
54 3HG2 ILE 7 1HG2 ILE 7 -3.788 -0.776 -0.776
55 1HD1 ILE 7 1HD1 ILE 7 -6.603 -3.242 -3.242
56 2HD1 ILE 7 3HD1 ILE 7 -5.088 -2.685 -2.685
57 3HD1 ILE 7 2HD1 ILE 7 -5.204 -4.301 -4.301
58 HA PRO 8 HA PRO 8 -8.673 -3.154 -3.154
59 1HB PRO 8 2HB PRO 8 -8.299 -5.812 -5.812
60 2HB PRO 8 1HB PRO 8 -9.736 -5.006 -5.006
61 1HG PRO 8 2HG PRO 8 -7.038 -5.393 -5.393
62 2HG PRO 8 1HG PRO 8 -8.622 -5.997 -5.997
63 1HD PRO 8 2HD PRO 8 -7.910 -3.684 -3.684
64 2HD PRO 8 1HD PRO 8 -9.518 -3.740 -3.740
65 H LYS 9 H LYS 9 -7.295 -2.772 -2.772
66 HA LYS 9 HA LYS 9 -4.496 -2.705 -2.705
67 1HB LYS 9 2HB LYS 9 -5.846 -1.718 -1.718
68 2HB LYS 9 1HB LYS 9 -6.159 -3.314 -3.314
69 1HG LYS 9 2HG LYS 9 -3.278 -2.638 -2.638
70 2HG LYS 9 1HG LYS 9 -4.084 -1.814 -1.814
71 1HD LYS 9 2HD LYS 9 -4.344 -3.757 -3.757
72 2HD LYS 9 1HD LYS 9 -4.333 -4.791 -4.791
73 1HE LYS 9 2HE LYS 9 -2.185 -4.779 -4.779
74 2HE LYS 9 1HE LYS 9 -2.025 -4.710 -4.710
75 1HZ LYS 9 1HZ LYS 9 -2.181 -2.052 -2.052
76 2HZ LYS 9 3HZ LYS 9 -1.058 -2.851 -2.851
77 3HZ LYS 9 2HZ LYS 9 -0.892 -2.859 -2.859
78 H SER 10 H SER 10 -6.676 -5.114 -5.114
79 HA SER 10 HA SER 10 -5.216 -7.245 -7.245
80 1HB SER 10 2HB SER 10 -7.766 -7.219 -7.219
81 2HB SER 10 1HB SER 10 -7.187 -7.785 -7.785
82 HG SER 10 HG SER 10 -6.464 -9.623 -9.623
83 H ARG 11 H ARG 11 -5.188 -5.967 -5.967
84 HA ARG 11 HA ARG 11 -3.460 -8.089 -8.089
85 1HB ARG 11 2HB ARG 11 -5.140 -6.394 -6.394
86 2HB ARG 11 1HB ARG 11 -3.731 -5.360 -5.360
87 1HG ARG 11 2HG ARG 11 -3.668 -6.641 -6.641
88 2HG ARG 11 1HG ARG 11 -2.336 -7.110 -7.110
89 1HD ARG 11 2HD ARG 11 -3.767 -9.086 -9.086
90 2HD ARG 11 1HD ARG 11 -4.948 -8.603 -8.603
91 HE ARG 11 HE ARG 11 -2.081 -9.324 -9.324
92 1HH1 ARG 11 2HH1 ARG 11 -2.745 -8.667 -8.667
93 2HH1 ARG 11 1HH1 ARG 11 -3.714 -9.877 -9.877
94 1HH2 ARG 11 1HH2 ARG 11 -4.488 -11.249 -11.249
95 2HH2 ARG 11 2HH2 ARG 11 -4.800 -11.483 -11.483
96 H CYS 12 H CYS 12 -3.254 -4.878 -4.878
97 HA CYS 12 HA CYS 12 -0.282 -4.950 -4.950
98 1HB CYS 12 2HB CYS 12 -2.241 -2.782 -2.782
99 2HB CYS 12 1HB CYS 12 -0.908 -2.611 -2.611
100 H THR 13 H THR 13 -1.217 -6.905 -6.905
101 HA THR 13 HA THR 13 -1.246 -6.635 -6.635
102 HB THR 13 HB THR 13 -2.253 -8.690 -8.690
103 HG1 THR 13 1HG THR 13 -0.262 -10.118 -10.118
104 1HG2 THR 13 3HG2 THR 13 0.479 -9.286 -9.286
105 2HG2 THR 13 2HG2 THR 13 -0.926 -10.356 -10.356
106 3HG2 THR 13 1HG2 THR 13 -0.996 -8.844 -8.844
107 H ALA 14 H ALA 14 0.450 -7.353 -7.353
108 HA ALA 14 HA ALA 14 2.796 -5.905 -5.905
109 1HB ALA 14 2HB ALA 14 2.466 -8.684 -8.684
110 2HB ALA 14 1HB ALA 14 3.747 -7.546 -7.546
111 3HB ALA 14 3HB ALA 14 2.084 -7.157 -7.157
112 H PHE 15 H PHE 15 2.093 -8.833 -8.833
113 HA PHE 15 HA PHE 15 4.720 -9.685 -9.685
114 1HB PHE 15 2HB PHE 15 2.217 -10.462 -10.462
115 2HB PHE 15 1HB PHE 15 3.600 -11.451 -11.451
116 HD1 PHE 15 2HD PHE 15 3.470 -10.514 -10.514
117 HD2 PHE 15 1HD PHE 15 0.699 -12.185 -12.185
118 HE1 PHE 15 2HE PHE 15 2.172 -11.459 -11.459
119 HE2 PHE 15 1HE PHE 15 -0.586 -13.125 -13.125
120 HZ PHE 15 HZ PHE 15 0.142 -12.761 -12.761
121 H GLN 16 H GLN 16 2.140 -7.926 -7.926
122 HA GLN 16 HA GLN 16 3.775 -7.554 -7.554
123 1HB GLN 16 2HB GLN 16 0.976 -6.509 -6.509
124 2HB GLN 16 1HB GLN 16 1.732 -6.912 -6.912
125 1HG GLN 16 2HG GLN 16 1.933 -9.294 -9.294
126 2HG GLN 16 1HG GLN 16 0.350 -8.650 -8.650
127 1HE2 GLN 16 2HE2 GLN 16 1.057 -10.424 -10.424
128 2HE2 GLN 16 1HE2 GLN 16 2.279 -10.298 -10.298
129 H CYS 17 H CYS 17 2.784 -5.944 -5.944
130 HA CYS 17 HA CYS 17 2.958 -3.198 -3.198
131 1HB CYS 17 2HB CYS 17 2.153 -4.149 -4.149
132 2HB CYS 17 1HB CYS 17 3.805 -4.169 -4.169
133 H LYS 18 H LYS 18 5.193 -5.566 -5.566
134 HA LYS 18 HA LYS 18 7.536 -3.723 -3.723
135 1HB LYS 18 2HB LYS 18 7.000 -6.328 -6.328
136 2HB LYS 18 1HB LYS 18 8.584 -6.120 -6.120
137 1HG LYS 18 2HG LYS 18 8.701 -3.870 -3.870
138 2HG LYS 18 1HG LYS 18 7.168 -4.278 -4.278
139 1HD LYS 18 2HD LYS 18 8.153 -6.215 -6.215
140 2HD LYS 18 1HD LYS 18 9.665 -6.026 -6.026
141 1HE LYS 18 2HE LYS 18 9.960 -3.740 -3.740
142 2HE LYS 18 1HE LYS 18 8.491 -4.005 -4.005
143 1HZ LYS 18 2HZ LYS 18 10.156 -6.225 -6.225
144 2HZ LYS 18 1HZ LYS 18 11.083 -4.834 -4.834
145 3HZ LYS 18 3HZ LYS 18 9.637 -5.070 -5.070
146 H HIS 19 H HIS 19 6.324 -6.829 -6.829
147 HA HIS 19 HA HIS 19 8.256 -6.651 -6.651
148 1HB HIS 19 2HB HIS 19 6.418 -8.895 -8.895
149 2HB HIS 19 1HB HIS 19 7.535 -8.989 -8.989
150 HD1 HIS 19 1HD HIS 19 10.097 -8.615 -8.615
151 HD2 HIS 19 2HD HIS 19 7.549 -9.356 -9.356
152 HE1 HIS 19 1HE HIS 19 11.447 -9.306 -9.306
153 H SER 20 H SER 20 4.796 -5.967 -5.967
154 HA SER 20 HA SER 20 4.759 -6.517 -6.517
155 1HB SER 20 2HB SER 20 2.504 -5.804 -5.804
156 2HB SER 20 1HB SER 20 2.350 -6.383 -6.383
157 HG SER 20 HG SER 20 2.393 -8.345 -8.345
158 H MET 21 H MET 21 6.154 -4.634 -4.634
159 HA MET 21 HA MET 21 5.222 -1.890 -1.890
160 1HB MET 21 2HB MET 21 7.679 -2.803 -2.803
161 2HB MET 21 1HB MET 21 7.373 -3.141 -3.141
162 1HG MET 21 2HG MET 21 8.544 -1.207 -1.207
163 2HG MET 21 1HG MET 21 6.933 -0.588 -0.588
164 1HE MET 21 3HE MET 21 5.768 0.540 0.540
165 2HE MET 21 2HE MET 21 6.432 1.512 1.512
166 3HE MET 21 1HE MET 21 6.768 1.954 1.954
167 1HN DNP 22 HN DAP 22 3.207 -2.447 -2.447
168 HA DNP 22 HA DAP 22 2.604 -1.317 -1.317
169 1HB DNP 22 1HB DAP 22 1.251 -3.256 -3.256
170 2HB DNP 22 2HB DAP 22 1.744 -4.225 -4.225
171 1HG DNP 22 1HG DAP 22 4.048 -3.213 -3.213
172 2HG DNP 22 2HG DAP 22 3.057 -3.980 -3.980
173 3HG DNP 22 3HG DAP 22 3.606 -4.817 -4.817
174 H TYR 23 H TYR 23 1.333 -3.434 -3.434
175 HA TYR 23 HA TYR 23 -0.968 -1.632 -1.632
176 1HB TYR 23 2HB TYR 23 -0.091 -3.480 -3.480
177 2HB TYR 23 1HB TYR 23 -1.716 -3.082 -3.082
178 HD1 TYR 23 1HD TYR 23 -2.066 -3.788 -3.788
179 HD2 TYR 23 2HD TYR 23 0.356 -5.743 -5.743
180 HE1 TYR 23 1HE TYR 23 -2.220 -5.870 -5.870
181 HE2 TYR 23 2HE TYR 23 0.214 -7.797 -7.797
182 HH TYR 23 HH TYR 23 -0.192 -8.398 -8.398
183 H ARG 24 H ARG 24 1.954 -2.528 -2.528
184 HA ARG 24 HA ARG 24 2.246 -0.407 -0.407
185 1HB ARG 24 2HB ARG 24 3.123 -2.967 -2.967
186 2HB ARG 24 1HB ARG 24 4.504 -2.162 -2.162
187 1HG ARG 24 2HG ARG 24 3.271 -1.751 -1.751
188 2HG ARG 24 1HG ARG 24 4.730 -2.670 -2.670
189 1HD ARG 24 2HD ARG 24 4.401 0.304 0.304
190 2HD ARG 24 1HD ARG 24 5.221 -0.487 -0.487
191 HE ARG 24 HE ARG 24 6.105 -0.595 -0.595
192 1HH1 ARG 24 1HH2 ARG 24 7.894 -2.492 -2.492
193 2HH1 ARG 24 2HH2 ARG 24 9.034 -1.886 -1.886
194 1HH2 ARG 24 2HH1 ARG 24 6.942 0.794 0.794
195 2HH2 ARG 24 1HH1 ARG 24 8.479 0.090 0.090
196 H LEU 25 H LEU 25 1.971 0.272 0.272
197 HA LEU 25 HA LEU 25 4.331 1.984 1.984
198 1HB LEU 25 2HB LEU 25 3.948 0.171 0.171
199 2HB LEU 25 1HB LEU 25 2.374 0.705 0.705
200 HG LEU 25 HG LEU 25 3.114 2.872 2.872
201 1HD1 LEU 25 3HD1 LEU 25 5.935 1.758 1.758
202 2HD1 LEU 25 2HD1 LEU 25 5.511 3.255 3.255
203 3HD1 LEU 25 1HD1 LEU 25 5.255 3.105 3.105
204 1HD2 LEU 25 1HD2 LEU 25 4.490 0.465 0.465
205 2HD2 LEU 25 3HD2 LEU 25 2.817 0.954 0.954
206 3HD2 LEU 25 2HD2 LEU 25 4.122 1.977 1.977
207 H SER 26 H SER 26 1.208 2.029 2.029
208 HA SER 26 HA SER 26 0.631 4.586 4.586
209 1HB SER 26 2HB SER 26 -0.276 5.317 5.317
210 2HB SER 26 1HB SER 26 1.491 5.120 5.120
211 HG SER 26 HG SER 26 -0.364 3.605 3.605
212 H PHE 27 H PHE 27 -0.351 1.710 1.710
213 HA PHE 27 HA PHE 27 -3.271 2.381 2.381
214 1HB PHE 27 2HB PHE 27 -2.346 -0.351 -0.351
215 2HB PHE 27 1HB PHE 27 -3.855 0.144 0.144
216 HD1 PHE 27 2HD PHE 27 -1.372 1.792 1.792
217 HD2 PHE 27 1HD PHE 27 -3.117 -2.010 -2.010
218 HE1 PHE 27 2HE PHE 27 -0.662 1.024 1.024
219 HE2 PHE 27 1HE PHE 27 -2.402 -2.780 -2.780
220 HZ PHE 27 HZ PHE 27 -1.168 -1.271 -1.271
221 H CYS 28 H CYS 28 -1.146 1.152 1.152
222 HA CYS 28 HA CYS 28 -3.398 1.640 1.640
223 1HB CYS 28 2HB CYS 28 -1.037 0.226 0.226
224 2HB CYS 28 1HB CYS 28 -2.727 -0.197 -0.197
225 H ARG 29 H ARG 29 -2.094 3.635 3.635
226 HA ARG 29 HA ARG 29 0.154 4.829 4.829
227 1HB ARG 29 2HB ARG 29 -2.591 5.738 5.738
228 2HB ARG 29 1HB ARG 29 -1.585 6.854 6.854
229 1HG ARG 29 2HG ARG 29 -0.666 7.552 7.552
230 2HG ARG 29 1HG ARG 29 0.125 6.026 6.026
231 1HD ARG 29 2HD ARG 29 -1.056 6.052 6.052
232 2HD ARG 29 1HD ARG 29 -2.163 5.159 5.159
233 HE ARG 29 HE ARG 29 -3.104 7.601 7.601
234 1HH1 ARG 29 1HH2 ARG 29 -1.578 8.504 8.504
235 2HH1 ARG 29 2HH2 ARG 29 -2.716 8.335 8.335
236 1HH2 ARG 29 2HH1 ARG 29 -4.732 6.318 6.318
237 2HH2 ARG 29 1HH1 ARG 29 -4.712 6.933 6.933
238 H LYS 30 H LYS 30 -2.501 4.968 4.968
239 HA LYS 30 HA LYS 30 -0.647 5.934 5.934
240 1HB LYS 30 2HB LYS 30 -3.699 5.789 5.789
241 2HB LYS 30 1HB LYS 30 -2.764 6.419 6.419
242 1HG LYS 30 2HG LYS 30 -1.472 7.838 7.838
243 2HG LYS 30 1HG LYS 30 -2.667 7.350 7.350
244 1HD LYS 30 2HD LYS 30 -4.391 8.595 8.595
245 2HD LYS 30 1HD LYS 30 -3.627 8.763 8.763
246 1HE LYS 30 2HE LYS 30 -2.482 9.807 9.807
247 2HE LYS 30 1HE LYS 30 -3.343 10.815 10.815
248 1HZ LYS 30 1HZ LYS 30 -1.342 9.466 9.466
249 2HZ LYS 30 3HZ LYS 30 -0.623 10.002 10.002
250 3HZ LYS 30 2HZ LYS 30 -1.352 11.114 11.114
251 H THR 31 H THR 31 -3.021 3.589 3.589
252 HA THR 31 HA THR 31 -3.183 1.912 1.912
253 HB THR 31 HB THR 31 -3.170 1.411 1.411
254 HG1 THR 31 1HG THR 31 -4.939 2.415 2.415
255 1HG2 THR 31 2HG2 THR 31 -3.879 -0.519 -0.519
256 2HG2 THR 31 1HG2 THR 31 -4.126 -0.751 -0.751
257 3HG2 THR 31 3HG2 THR 31 -2.488 -0.757 -0.757
258 H CYS 32 H CYS 32 -0.392 2.188 2.188
259 HA CYS 32 HA CYS 32 1.006 0.228 0.228
260 1HB CYS 32 2HB CYS 32 0.793 -0.696 -0.696
261 2HB CYS 32 1HB CYS 32 1.590 0.718 0.718
262 H GLY 33 H GLY 33 1.239 3.029 3.029
263 1HA GLY 33 2HA GLY 33 2.184 5.098 5.098
264 2HA GLY 33 1HA GLY 33 3.419 4.080 4.080
265 H THR 34 H THR 34 2.156 4.519 4.519
266 HA THR 34 HA THR 34 4.995 4.521 4.521
267 HB THR 34 HB THR 34 3.987 4.113 4.113
268 HG1 THR 34 1HG THR 34 2.008 4.414 4.414
269 1HG2 THR 34 1HG2 THR 34 2.850 2.383 2.383
270 2HG2 THR 34 3HG2 THR 34 2.955 1.929 1.929
271 3HG2 THR 34 2HG2 THR 34 4.434 2.214 2.214
272 H CYS 35 HN CYS 35 2.339 6.767 6.767
273 HA CYS 35 HA CYS 35 3.842 8.760 8.760
274 1HB CYS 35 2HB CYS 35 1.729 9.742 9.742
275 2HB CYS 35 1HB CYS 35 1.726 8.176 8.176
Start of MODEL 7
1 1H ARG 1 2H ARG 1 -2.835 17.105 17.105
2 2H ARG 1 1H ARG 1 -1.662 18.324 18.324
3 3H ARG 1 3H ARG 1 -1.568 17.175 17.175
4 HA ARG 1 HA ARG 1 -0.362 15.796 15.796
5 1HB ARG 1 2HB ARG 1 0.378 18.033 18.033
6 2HB ARG 1 1HB ARG 1 -0.916 17.759 17.759
7 1HG ARG 1 2HG ARG 1 0.152 15.583 15.583
8 2HG ARG 1 1HG ARG 1 1.462 15.891 15.891
9 1HD ARG 1 2HD ARG 1 0.754 17.597 17.597
10 2HD ARG 1 1HD ARG 1 2.119 16.513 16.513
11 HE ARG 1 HE ARG 1 2.911 18.033 18.033
12 1HH1 ARG 1 1HH2 ARG 1 0.485 19.727 19.727
13 2HH1 ARG 1 2HH2 ARG 1 1.049 21.114 21.114
14 1HH2 ARG 1 1HH1 ARG 1 3.971 19.315 19.315
15 2HH2 ARG 1 2HH1 ARG 1 3.215 20.852 20.852
16 H SER 2 H SER 2 -2.622 14.825 14.825
17 HA SER 2 HA SER 2 -3.963 13.998 13.998
18 1HB SER 2 2HB SER 2 -5.317 14.268 14.268
19 2HB SER 2 1HB SER 2 -6.067 14.243 14.243
20 HG SER 2 HG SER 2 -5.738 16.321 16.321
21 H CYS 3 H CYS 3 -3.095 12.067 12.067
22 HA CYS 3 HA CYS 3 -3.104 10.086 10.086
23 1HB CYS 3 2HB CYS 3 -1.241 10.682 10.682
24 2HB CYS 3 1HB CYS 3 -1.384 9.029 9.029
25 H ILE 4 H ILE 4 -5.011 9.016 9.016
26 HA ILE 4 HA ILE 4 -5.687 7.990 7.990
27 HB ILE 4 HB ILE 4 -8.033 7.915 7.915
28 1HG1 ILE 4 2HG1 ILE 4 -8.517 9.272 9.272
29 2HG1 ILE 4 1HG1 ILE 4 -6.886 8.844 8.844
30 1HG2 ILE 4 2HG2 ILE 4 -7.253 9.972 9.972
31 2HG2 ILE 4 1HG2 ILE 4 -6.717 10.622 10.622
32 3HG2 ILE 4 3HG2 ILE 4 -8.425 10.368 10.368
33 1HD1 ILE 4 3HD1 ILE 4 -9.114 6.874 6.874
34 2HD1 ILE 4 2HD1 ILE 4 -8.524 7.239 7.239
35 3HD1 ILE 4 1HD1 ILE 4 -7.500 6.396 6.396
36 H ASP 5 H ASP 5 -6.110 5.887 5.887
37 HA ASP 5 HA ASP 5 -4.815 4.121 4.121
38 1HB ASP 5 2HB ASP 5 -6.660 3.451 3.451
39 2HB ASP 5 1HB ASP 5 -5.473 2.423 2.423
40 H THR 6 H THR 6 -5.838 2.498 2.498
41 HA THR 6 HA THR 6 -8.772 2.578 2.578
42 HB THR 6 HB THR 6 -7.833 4.201 4.201
43 HG1 THR 6 1HG THR 6 -8.512 1.675 1.675
44 1HG2 THR 6 1HG2 THR 6 -6.126 1.892 1.892
45 2HG2 THR 6 3HG2 THR 6 -6.226 3.509 3.509
46 3HG2 THR 6 2HG2 THR 6 -5.485 3.267 3.267
47 H ILE 7 H ILE 7 -6.990 0.975 0.975
48 HA ILE 7 HA ILE 7 -7.260 -1.557 -1.557
49 HB ILE 7 HB ILE 7 -4.879 -0.552 -0.552
50 1HG1 ILE 7 2HG1 ILE 7 -3.798 -2.722 -2.722
51 2HG1 ILE 7 1HG1 ILE 7 -5.347 -3.365 -3.365
52 1HG2 ILE 7 2HG2 ILE 7 -5.194 0.087 0.087
53 2HG2 ILE 7 1HG2 ILE 7 -5.205 -1.625 -1.625
54 3HG2 ILE 7 3HG2 ILE 7 -3.785 -0.901 -0.901
55 1HD1 ILE 7 3HD1 ILE 7 -4.594 -2.351 -2.351
56 2HD1 ILE 7 2HD1 ILE 7 -4.726 -4.047 -4.047
57 3HD1 ILE 7 1HD1 ILE 7 -6.144 -3.023 -3.023
58 HA PRO 8 HA PRO 8 -8.763 -3.395 -3.395
59 1HB PRO 8 2HB PRO 8 -7.984 -5.967 -5.967
60 2HB PRO 8 1HB PRO 8 -9.530 -5.298 -5.298
61 1HG PRO 8 2HG PRO 8 -6.824 -5.197 -5.197
62 2HG PRO 8 1HG PRO 8 -8.340 -5.910 -5.910
63 1HD PRO 8 2HD PRO 8 -7.936 -3.440 -3.440
64 2HD PRO 8 1HD PRO 8 -9.474 -3.729 -3.729
65 H LYS 9 H LYS 9 -7.417 -2.712 -2.712
66 HA LYS 9 HA LYS 9 -4.608 -2.592 -2.592
67 1HB LYS 9 2HB LYS 9 -6.089 -1.660 -1.660
68 2HB LYS 9 1HB LYS 9 -6.436 -3.269 -3.269
69 1HG LYS 9 2HG LYS 9 -3.537 -2.556 -2.556
70 2HG LYS 9 1HG LYS 9 -4.469 -1.814 -1.814
71 1HD LYS 9 2HD LYS 9 -4.814 -3.918 -3.918
72 2HD LYS 9 1HD LYS 9 -4.481 -4.811 -4.811
73 1HE LYS 9 2HE LYS 9 -2.504 -4.861 -4.861
74 2HE LYS 9 1HE LYS 9 -2.100 -4.207 -4.207
75 1HZ LYS 9 2HZ LYS 9 -3.002 -2.079 -2.079
76 2HZ LYS 9 1HZ LYS 9 -1.820 -2.939 -2.939
77 3HZ LYS 9 3HZ LYS 9 -1.481 -2.302 -2.302
78 H SER 10 H SER 10 -6.820 -5.066 -5.066
79 HA SER 10 HA SER 10 -5.550 -7.166 -7.166
80 1HB SER 10 2HB SER 10 -7.168 -7.792 -7.792
81 2HB SER 10 1HB SER 10 -7.424 -8.366 -8.366
82 HG SER 10 HG SER 10 -8.933 -6.821 -6.821
83 H ARG 11 H ARG 11 -5.231 -6.070 -6.070
84 HA ARG 11 HA ARG 11 -3.412 -8.149 -8.149
85 1HB ARG 11 2HB ARG 11 -5.164 -6.612 -6.612
86 2HB ARG 11 1HB ARG 11 -3.821 -5.504 -5.504
87 1HG ARG 11 2HG ARG 11 -3.596 -6.871 -6.871
88 2HG ARG 11 1HG ARG 11 -2.328 -7.306 -7.306
89 1HD ARG 11 2HD ARG 11 -3.914 -9.228 -9.228
90 2HD ARG 11 1HD ARG 11 -4.887 -8.821 -8.821
91 HE ARG 11 HE ARG 11 -1.966 -9.631 -9.631
92 1HH1 ARG 11 2HH1 ARG 11 -2.624 -8.744 -8.744
93 2HH1 ARG 11 1HH1 ARG 11 -3.445 -10.021 -10.021
94 1HH2 ARG 11 1HH2 ARG 11 -4.027 -11.713 -11.713
95 2HH2 ARG 11 2HH2 ARG 11 -4.289 -11.859 -11.859
96 H CYS 12 H CYS 12 -3.303 -5.132 -5.132
97 HA CYS 12 HA CYS 12 -0.406 -4.726 -4.726
98 1HB CYS 12 2HB CYS 12 -2.432 -3.063 -3.063
99 2HB CYS 12 1HB CYS 12 -0.956 -2.505 -2.505
100 H THR 13 H THR 13 -1.293 -6.947 -6.947
101 HA THR 13 HA THR 13 -1.235 -6.648 -6.648
102 HB THR 13 HB THR 13 -2.229 -8.742 -8.742
103 HG1 THR 13 1HG THR 13 -0.186 -10.130 -10.130
104 1HG2 THR 13 2HG2 THR 13 0.411 -9.224 -9.224
105 2HG2 THR 13 1HG2 THR 13 -0.961 -10.331 -10.331
106 3HG2 THR 13 3HG2 THR 13 -1.113 -8.806 -8.806
107 H ALA 14 H ALA 14 0.520 -7.042 -7.042
108 HA ALA 14 HA ALA 14 2.843 -5.645 -5.645
109 1HB ALA 14 1HB ALA 14 2.218 -6.740 -6.740
110 2HB ALA 14 3HB ALA 14 2.605 -8.315 -8.315
111 3HB ALA 14 2HB ALA 14 3.877 -7.127 -7.127
112 H PHE 15 H PHE 15 2.151 -8.744 -8.744
113 HA PHE 15 HA PHE 15 4.659 -9.732 -9.732
114 1HB PHE 15 2HB PHE 15 2.137 -10.464 -10.464
115 2HB PHE 15 1HB PHE 15 3.439 -11.489 -11.489
116 HD1 PHE 15 2HD PHE 15 3.150 -10.281 -10.281
117 HD2 PHE 15 1HD PHE 15 0.551 -12.144 -12.144
118 HE1 PHE 15 2HE PHE 15 1.718 -11.078 -11.078
119 HE2 PHE 15 1HE PHE 15 -0.864 -12.936 -12.936
120 HZ PHE 15 HZ PHE 15 -0.287 -12.400 -12.400
121 H GLN 16 H GLN 16 2.091 -8.053 -8.053
122 HA GLN 16 HA GLN 16 3.745 -7.769 -7.769
123 1HB GLN 16 2HB GLN 16 0.910 -6.817 -6.817
124 2HB GLN 16 1HB GLN 16 1.558 -7.110 -7.110
125 1HG GLN 16 2HG GLN 16 1.931 -9.536 -9.536
126 2HG GLN 16 1HG GLN 16 0.305 -8.946 -8.946
127 1HE2 GLN 16 2HE2 GLN 16 1.510 -10.424 -10.424
128 2HE2 GLN 16 1HE2 GLN 16 2.683 -9.954 -9.954
129 H CYS 17 H CYS 17 2.623 -6.081 -6.081
130 HA CYS 17 HA CYS 17 2.922 -3.362 -3.362
131 1HB CYS 17 2HB CYS 17 2.059 -4.626 -4.626
132 2HB CYS 17 1HB CYS 17 3.555 -3.925 -3.925
133 H LYS 18 H LYS 18 5.070 -5.808 -5.808
134 HA LYS 18 HA LYS 18 7.396 -3.967 -3.967
135 1HB LYS 18 2HB LYS 18 6.772 -6.330 -6.330
136 2HB LYS 18 1HB LYS 18 8.295 -6.530 -6.530
137 1HG LYS 18 2HG LYS 18 8.972 -4.211 -4.211
138 2HG LYS 18 1HG LYS 18 7.471 -4.122 -4.122
139 1HD LYS 18 2HD LYS 18 8.122 -5.982 -5.982
140 2HD LYS 18 1HD LYS 18 9.539 -6.319 -6.319
141 1HE LYS 18 2HE LYS 18 10.462 -4.042 -4.042
142 2HE LYS 18 1HE LYS 18 9.066 -3.747 -3.747
143 1HZ LYS 18 2HZ LYS 18 10.143 -6.224 -6.224
144 2HZ LYS 18 1HZ LYS 18 11.422 -5.115 -5.115
145 3HZ LYS 18 3HZ LYS 18 10.083 -4.789 -4.789
146 H HIS 19 H HIS 19 6.141 -7.138 -7.138
147 HA HIS 19 HA HIS 19 8.149 -6.943 -6.943
148 1HB HIS 19 2HB HIS 19 6.633 -9.372 -9.372
149 2HB HIS 19 1HB HIS 19 7.878 -9.381 -9.381
150 HD1 HIS 19 1HD HIS 19 10.258 -8.509 -8.509
151 HD2 HIS 19 2HD HIS 19 7.576 -9.403 -9.403
152 HE1 HIS 19 1HE HIS 19 11.511 -8.749 -8.749
153 H SER 20 H SER 20 5.593 -5.474 -5.474
154 HA SER 20 HA SER 20 4.798 -6.639 -6.639
155 1HB SER 20 2HB SER 20 2.841 -5.910 -5.910
156 2HB SER 20 1HB SER 20 2.421 -6.437 -6.437
157 HG SER 20 HG SER 20 4.265 -8.137 -8.137
158 H MET 21 H MET 21 6.241 -4.686 -4.686
159 HA MET 21 HA MET 21 5.038 -2.067 -2.067
160 1HB MET 21 2HB MET 21 7.292 -3.139 -3.139
161 2HB MET 21 1HB MET 21 6.853 -1.450 -1.450
162 1HG MET 21 2HG MET 21 7.837 -3.077 -3.077
163 2HG MET 21 1HG MET 21 8.722 -1.833 -1.833
164 1HE MET 21 1HE MET 21 7.333 0.470 0.470
165 2HE MET 21 3HE MET 21 5.637 0.168 0.168
166 3HE MET 21 2HE MET 21 6.593 1.321 1.321
167 1HN DNP 22 HN DAP 22 3.071 -2.563 -2.563
168 HA DNP 22 HA DAP 22 2.342 -1.894 -1.894
169 1HB DNP 22 1HB DAP 22 0.867 -3.888 -3.888
170 2HB DNP 22 2HB DAP 22 1.312 -4.523 -4.523
171 1HG DNP 22 1HG DAP 22 3.058 -5.549 -5.549
172 2HG DNP 22 2HG DAP 22 3.663 -4.091 -4.091
173 3HG DNP 22 3HG DAP 22 2.578 -5.004 -5.004
174 H TYR 23 H TYR 23 1.221 -3.442 -3.442
175 HA TYR 23 HA TYR 23 -0.936 -1.503 -1.503
176 1HB TYR 23 2HB TYR 23 -0.118 -3.328 -3.328
177 2HB TYR 23 1HB TYR 23 -1.710 -2.945 -2.945
178 HD1 TYR 23 2HD TYR 23 -1.671 -3.613 -3.613
179 HD2 TYR 23 1HD TYR 23 0.101 -5.692 -5.692
180 HE1 TYR 23 2HE TYR 23 -1.818 -5.704 -5.704
181 HE2 TYR 23 1HE TYR 23 -0.027 -7.755 -7.755
182 HH TYR 23 HH TYR 23 -0.136 -8.437 -8.437
183 H ARG 24 H ARG 24 1.986 -2.372 -2.372
184 HA ARG 24 HA ARG 24 2.377 -0.172 -0.172
185 1HB ARG 24 2HB ARG 24 3.513 -2.701 -2.701
186 2HB ARG 24 1HB ARG 24 4.805 -1.596 -1.596
187 1HG ARG 24 2HG ARG 24 3.220 -1.841 -1.841
188 2HG ARG 24 1HG ARG 24 4.833 -2.523 -2.523
189 1HD ARG 24 2HD ARG 24 4.052 0.409 0.409
190 2HD ARG 24 1HD ARG 24 5.088 -0.556 -0.556
191 HE ARG 24 HE ARG 24 5.790 0.231 0.231
192 1HH1 ARG 24 2HH1 ARG 24 7.535 -1.725 -1.725
193 2HH1 ARG 24 1HH1 ARG 24 8.820 -1.165 -1.165
194 1HH2 ARG 24 1HH2 ARG 24 6.704 1.591 1.591
195 2HH2 ARG 24 2HH2 ARG 24 8.293 0.980 0.980
196 H LEU 25 H LEU 25 2.073 0.301 0.301
197 HA LEU 25 HA LEU 25 4.402 2.056 2.056
198 1HB LEU 25 2HB LEU 25 3.812 0.098 0.098
199 2HB LEU 25 1HB LEU 25 2.354 0.834 0.834
200 HG LEU 25 HG LEU 25 3.565 2.893 2.893
201 1HD1 LEU 25 1HD1 LEU 25 5.998 1.058 1.058
202 2HD1 LEU 25 3HD1 LEU 25 5.944 2.609 2.609
203 3HD1 LEU 25 2HD1 LEU 25 5.763 2.535 2.535
204 1HD2 LEU 25 1HD2 LEU 25 4.146 0.219 0.219
205 2HD2 LEU 25 3HD2 LEU 25 2.655 1.142 1.142
206 3HD2 LEU 25 2HD2 LEU 25 4.152 1.789 1.789
207 H SER 26 H SER 26 1.060 1.891 1.891
208 HA SER 26 HA SER 26 0.556 4.578 4.578
209 1HB SER 26 2HB SER 26 0.235 3.902 3.902
210 2HB SER 26 1HB SER 26 -0.218 5.440 5.440
211 HG SER 26 HG SER 26 2.192 5.073 5.073
212 H PHE 27 H PHE 27 -0.390 1.658 1.658
213 HA PHE 27 HA PHE 27 -3.304 2.346 2.346
214 1HB PHE 27 2HB PHE 27 -2.446 -0.438 -0.438
215 2HB PHE 27 1HB PHE 27 -3.925 0.123 0.123
216 HD1 PHE 27 2HD PHE 27 -1.647 1.799 1.799
217 HD2 PHE 27 1HD PHE 27 -3.031 -2.130 -2.130
218 HE1 PHE 27 2HE PHE 27 -0.935 1.062 1.062
219 HE2 PHE 27 1HE PHE 27 -2.326 -2.862 -2.862
220 HZ PHE 27 HZ PHE 27 -1.271 -1.272 -1.272
221 H CYS 28 H CYS 28 -1.145 1.116 1.116
222 HA CYS 28 HA CYS 28 -3.320 1.608 1.608
223 1HB CYS 28 2HB CYS 28 -0.807 0.301 0.301
224 2HB CYS 28 1HB CYS 28 -2.461 -0.229 -0.229
225 H ARG 29 H ARG 29 -2.081 3.552 3.552
226 HA ARG 29 HA ARG 29 0.145 4.858 4.858
227 1HB ARG 29 2HB ARG 29 -2.692 5.649 5.649
228 2HB ARG 29 1HB ARG 29 -1.522 6.904 6.904
229 1HG ARG 29 2HG ARG 29 -0.318 6.149 6.149
230 2HG ARG 29 1HG ARG 29 -1.441 4.831 4.831
231 1HD ARG 29 2HD ARG 29 -2.427 6.178 6.178
232 2HD ARG 29 1HD ARG 29 -3.195 6.903 6.903
233 HE ARG 29 HE ARG 29 -1.322 8.595 8.595
234 1HH1 ARG 29 1HH2 ARG 29 0.537 8.872 8.872
235 2HH1 ARG 29 2HH2 ARG 29 0.188 9.204 9.204
236 1HH2 ARG 29 2HH1 ARG 29 -3.169 8.049 8.049
237 2HH2 ARG 29 1HH1 ARG 29 -2.115 8.731 8.731
238 H LYS 30 H LYS 30 -2.581 5.145 5.145
239 HA LYS 30 HA LYS 30 -0.615 6.110 6.110
240 1HB LYS 30 2HB LYS 30 -3.643 5.911 5.911
241 2HB LYS 30 1HB LYS 30 -2.595 6.678 6.678
242 1HG LYS 30 2HG LYS 30 -1.718 8.077 8.077
243 2HG LYS 30 1HG LYS 30 -3.199 7.529 7.529
244 1HD LYS 30 2HD LYS 30 -4.569 8.530 8.530
245 2HD LYS 30 1HD LYS 30 -3.142 8.863 8.863
246 1HE LYS 30 2HE LYS 30 -2.341 10.335 10.335
247 2HE LYS 30 1HE LYS 30 -4.017 10.222 10.222
248 1HZ LYS 30 1HZ LYS 30 -4.092 10.780 10.780
249 2HZ LYS 30 3HZ LYS 30 -2.950 11.831 11.831
250 3HZ LYS 30 2HZ LYS 30 -4.555 11.800 11.800
251 H THR 31 H THR 31 -2.495 3.447 3.447
252 HA THR 31 HA THR 31 -2.606 2.097 2.097
253 HB THR 31 HB THR 31 -2.885 1.220 1.220
254 HG1 THR 31 1HG THR 31 -4.667 2.163 2.163
255 1HG2 THR 31 2HG2 THR 31 -3.367 -0.376 -0.376
256 2HG2 THR 31 1HG2 THR 31 -3.813 -0.843 -0.843
257 3HG2 THR 31 3HG2 THR 31 -2.114 -0.754 -0.754
258 H CYS 32 H CYS 32 -0.056 2.381 2.381
259 HA CYS 32 HA CYS 32 1.423 0.292 0.292
260 1HB CYS 32 2HB CYS 32 1.502 0.809 0.809
261 2HB CYS 32 1HB CYS 32 2.933 0.224 0.224
262 H GLY 33 H GLY 33 1.634 3.341 3.341
263 1HA GLY 33 2HA GLY 33 2.821 5.089 5.089
264 2HA GLY 33 1HA GLY 33 4.073 3.895 3.895
265 H THR 34 H THR 34 2.347 5.281 5.281
266 HA THR 34 HA THR 34 5.058 5.628 5.628
267 HB THR 34 HB THR 34 3.026 5.878 5.878
268 HG1 THR 34 1HG THR 34 2.494 3.992 3.992
269 1HG2 THR 34 3HG2 THR 34 4.459 3.307 3.307
270 2HG2 THR 34 2HG2 THR 34 3.800 3.583 3.583
271 3HG2 THR 34 1HG2 THR 34 5.202 4.490 4.490
272 H CYS 35 HN CYS 35 1.809 7.256 7.256
273 HA CYS 35 HA CYS 35 3.040 9.755 9.755
274 1HB CYS 35 2HB CYS 35 1.858 10.648 10.648
275 2HB CYS 35 1HB CYS 35 3.263 9.765 9.765
Start of MODEL 8
1 1H ARG 1 2H ARG 1 -1.068 16.498 16.498
2 2H ARG 1 1H ARG 1 -0.136 17.915 17.915
3 3H ARG 1 3H ARG 1 0.626 16.412 16.412
4 HA ARG 1 HA ARG 1 0.869 16.249 16.249
5 1HB ARG 1 2HB ARG 1 0.107 18.143 18.143
6 2HB ARG 1 1HB ARG 1 0.934 18.752 18.752
7 1HG ARG 1 2HG ARG 1 -1.323 19.244 19.244
8 2HG ARG 1 1HG ARG 1 -2.124 18.578 18.578
9 1HD ARG 1 2HD ARG 1 -1.037 20.349 20.349
10 2HD ARG 1 1HD ARG 1 -0.318 21.044 21.044
11 HE ARG 1 HE ARG 1 -3.294 20.825 20.825
12 1HH1 ARG 1 1HH1 ARG 1 -2.841 21.451 21.451
13 2HH1 ARG 1 2HH1 ARG 1 -2.675 23.161 23.161
14 1HH2 ARG 1 1HH2 ARG 1 -2.019 23.338 23.338
15 2HH2 ARG 1 2HH2 ARG 1 -2.169 24.321 24.321
16 H SER 2 H SER 2 -1.292 14.666 14.666
17 HA SER 2 HA SER 2 -2.797 14.124 14.124
18 1HB SER 2 2HB SER 2 -4.283 14.769 14.769
19 2HB SER 2 1HB SER 2 -5.037 14.435 14.435
20 HG SER 2 HG SER 2 -3.507 16.356 16.356
21 H CYS 3 H CYS 3 -3.740 12.059 12.059
22 HA CYS 3 HA CYS 3 -3.683 10.393 10.393
23 1HB CYS 3 2HB CYS 3 -1.702 9.027 9.027
24 2HB CYS 3 1HB CYS 3 -1.158 10.669 10.669
25 H ILE 4 H ILE 4 -4.636 8.420 8.420
26 HA ILE 4 HA ILE 4 -5.265 7.868 7.868
27 HB ILE 4 HB ILE 4 -7.704 7.561 7.561
28 1HG1 ILE 4 2HG1 ILE 4 -8.205 9.163 9.163
29 2HG1 ILE 4 1HG1 ILE 4 -6.561 8.858 8.858
30 1HG2 ILE 4 1HG2 ILE 4 -7.008 9.558 9.558
31 2HG2 ILE 4 3HG2 ILE 4 -6.593 10.396 10.396
32 3HG2 ILE 4 2HG2 ILE 4 -8.259 9.961 9.961
33 1HD1 ILE 4 1HD1 ILE 4 -8.678 6.703 6.703
34 2HD1 ILE 4 3HD1 ILE 4 -8.087 7.299 7.299
35 3HD1 ILE 4 2HD1 ILE 4 -7.025 6.390 6.390
36 H ASP 5 H ASP 5 -6.043 5.639 5.639
37 HA ASP 5 HA ASP 5 -4.640 3.838 3.838
38 1HB ASP 5 2HB ASP 5 -6.677 3.102 3.102
39 2HB ASP 5 1HB ASP 5 -5.376 2.108 2.108
40 H THR 6 H THR 6 -5.841 2.038 2.038
41 HA THR 6 HA THR 6 -8.706 2.403 2.403
42 HB THR 6 HB THR 6 -7.386 3.970 3.970
43 HG1 THR 6 1HG THR 6 -9.067 3.513 3.513
44 1HG2 THR 6 2HG2 THR 6 -5.395 2.441 2.441
45 2HG2 THR 6 1HG2 THR 6 -6.452 1.341 1.341
46 3HG2 THR 6 3HG2 THR 6 -6.140 2.950 2.950
47 H ILE 7 H ILE 7 -6.763 0.646 0.646
48 HA ILE 7 HA ILE 7 -7.389 -1.888 -1.888
49 HB ILE 7 HB ILE 7 -5.033 -1.242 -1.242
50 1HG1 ILE 7 2HG1 ILE 7 -3.801 -3.088 -3.088
51 2HG1 ILE 7 1HG1 ILE 7 -5.187 -3.503 -3.503
52 1HG2 ILE 7 2HG2 ILE 7 -4.847 0.122 0.122
53 2HG2 ILE 7 1HG2 ILE 7 -4.852 -1.367 -1.367
54 3HG2 ILE 7 3HG2 ILE 7 -3.539 -1.021 -1.021
55 1HD1 ILE 7 2HD1 ILE 7 -6.487 -3.921 -3.921
56 2HD1 ILE 7 1HD1 ILE 7 -5.036 -3.528 -3.528
57 3HD1 ILE 7 3HD1 ILE 7 -5.085 -4.954 -4.954
58 HA PRO 8 HA PRO 8 -8.773 -3.456 -3.456
59 1HB PRO 8 2HB PRO 8 -7.978 -6.067 -6.067
60 2HB PRO 8 1HB PRO 8 -9.579 -5.424 -5.424
61 1HG PRO 8 2HG PRO 8 -7.053 -5.361 -5.361
62 2HG PRO 8 1HG PRO 8 -8.642 -6.035 -6.035
63 1HD PRO 8 2HD PRO 8 -8.318 -3.598 -3.598
64 2HD PRO 8 1HD PRO 8 -9.694 -3.834 -3.834
65 H LYS 9 H LYS 9 -7.417 -2.672 -2.672
66 HA LYS 9 HA LYS 9 -4.617 -2.590 -2.590
67 1HB LYS 9 2HB LYS 9 -6.015 -1.563 -1.563
68 2HB LYS 9 1HB LYS 9 -6.464 -3.111 -3.111
69 1HG LYS 9 2HG LYS 9 -3.510 -2.582 -2.582
70 2HG LYS 9 1HG LYS 9 -4.421 -1.694 -1.694
71 1HD LYS 9 2HD LYS 9 -4.969 -3.625 -3.625
72 2HD LYS 9 1HD LYS 9 -4.818 -4.685 -4.685
73 1HE LYS 9 2HE LYS 9 -2.908 -4.886 -4.886
74 2HE LYS 9 1HE LYS 9 -2.431 -4.624 -4.624
75 1HZ LYS 9 2HZ LYS 9 -2.759 -2.087 -2.087
76 2HZ LYS 9 1HZ LYS 9 -1.886 -2.979 -2.979
77 3HZ LYS 9 3HZ LYS 9 -1.336 -2.848 -2.848
78 H SER 10 H SER 10 -6.783 -5.064 -5.064
79 HA SER 10 HA SER 10 -5.400 -7.167 -7.167
80 1HB SER 10 2HB SER 10 -7.827 -7.353 -7.353
81 2HB SER 10 1HB SER 10 -7.337 -7.461 -7.461
82 HG SER 10 HG SER 10 -7.554 -9.490 -9.490
83 H ARG 11 H ARG 11 -5.170 -6.098 -6.098
84 HA ARG 11 HA ARG 11 -3.318 -8.221 -8.221
85 1HB ARG 11 2HB ARG 11 -5.012 -6.529 -6.529
86 2HB ARG 11 1HB ARG 11 -3.505 -5.664 -5.664
87 1HG ARG 11 2HG ARG 11 -3.643 -7.211 -7.211
88 2HG ARG 11 1HG ARG 11 -2.315 -7.631 -7.631
89 1HD ARG 11 2HD ARG 11 -4.100 -9.335 -9.335
90 2HD ARG 11 1HD ARG 11 -4.966 -9.027 -9.027
91 HE ARG 11 HE ARG 11 -2.078 -9.887 -9.887
92 1HH1 ARG 11 1HH2 ARG 11 -2.763 -9.725 -9.725
93 2HH1 ARG 11 2HH2 ARG 11 -3.666 -11.117 -11.117
94 1HH2 ARG 11 2HH1 ARG 11 -4.318 -11.844 -11.844
95 2HH2 ARG 11 1HH1 ARG 11 -4.628 -12.467 -12.467
96 H CYS 12 H CYS 12 -3.377 -5.036 -5.036
97 HA CYS 12 HA CYS 12 -0.503 -4.581 -4.581
98 1HB CYS 12 2HB CYS 12 -2.615 -2.988 -2.988
99 2HB CYS 12 1HB CYS 12 -1.124 -2.405 -2.405
100 H THR 13 H THR 13 -1.000 -6.776 -6.776
101 HA THR 13 HA THR 13 -0.856 -6.391 -6.391
102 HB THR 13 HB THR 13 -1.811 -8.620 -8.620
103 HG1 THR 13 1HG THR 13 -0.033 -9.913 -9.913
104 1HG2 THR 13 1HG2 THR 13 0.476 -8.947 -8.947
105 2HG2 THR 13 3HG2 THR 13 -0.771 -10.142 -10.142
106 3HG2 THR 13 2HG2 THR 13 -1.193 -8.654 -8.654
107 H ALA 14 H ALA 14 1.057 -6.530 -6.530
108 HA ALA 14 HA ALA 14 3.260 -5.155 -5.155
109 1HB ALA 14 3HB ALA 14 2.955 -5.956 -5.956
110 2HB ALA 14 2HB ALA 14 3.317 -7.598 -7.598
111 3HB ALA 14 1HB ALA 14 4.554 -6.360 -6.360
112 H PHE 15 H PHE 15 2.551 -8.420 -8.420
113 HA PHE 15 HA PHE 15 4.833 -9.639 -9.639
114 1HB PHE 15 2HB PHE 15 2.107 -10.212 -10.212
115 2HB PHE 15 1HB PHE 15 3.421 -11.313 -11.313
116 HD1 PHE 15 2HD PHE 15 3.526 -9.987 -9.987
117 HD2 PHE 15 1HD PHE 15 0.705 -12.024 -12.024
118 HE1 PHE 15 2HE PHE 15 2.357 -10.800 -10.800
119 HE2 PHE 15 1HE PHE 15 -0.454 -12.833 -12.833
120 HZ PHE 15 HZ PHE 15 0.364 -12.222 -12.222
121 H GLN 16 H GLN 16 2.291 -8.027 -8.027
122 HA GLN 16 HA GLN 16 3.761 -7.996 -7.996
123 1HB GLN 16 2HB GLN 16 1.042 -6.811 -6.811
124 2HB GLN 16 1HB GLN 16 1.569 -7.341 -7.341
125 1HG GLN 16 2HG GLN 16 1.826 -9.616 -9.616
126 2HG GLN 16 1HG GLN 16 0.253 -8.885 -8.885
127 1HE2 GLN 16 2HE2 GLN 16 1.250 -10.806 -10.806
128 2HE2 GLN 16 1HE2 GLN 16 2.467 -10.465 -10.465
129 H CYS 17 H CYS 17 2.874 -6.015 -6.015
130 HA CYS 17 HA CYS 17 3.349 -3.374 -3.374
131 1HB CYS 17 2HB CYS 17 2.380 -4.073 -4.073
132 2HB CYS 17 1HB CYS 17 4.065 -4.017 -4.017
133 H LYS 18 H LYS 18 5.269 -5.964 -5.964
134 HA LYS 18 HA LYS 18 7.774 -4.395 -4.395
135 1HB LYS 18 2HB LYS 18 7.617 -5.800 -5.800
136 2HB LYS 18 1HB LYS 18 7.310 -7.225 -7.225
137 1HG LYS 18 2HG LYS 18 9.536 -7.140 -7.140
138 2HG LYS 18 1HG LYS 18 9.893 -5.605 -5.605
139 1HD LYS 18 2HD LYS 18 9.275 -8.134 -8.134
140 2HD LYS 18 1HD LYS 18 10.897 -7.793 -7.793
141 1HE LYS 18 2HE LYS 18 9.190 -5.957 -5.957
142 2HE LYS 18 1HE LYS 18 10.476 -6.996 -6.996
143 1HZ LYS 18 2HZ LYS 18 11.536 -5.487 -5.487
144 2HZ LYS 18 1HZ LYS 18 10.699 -4.408 -4.408
145 3HZ LYS 18 3HZ LYS 18 11.931 -5.384 -5.384
146 H HIS 19 H HIS 19 6.296 -7.511 -7.511
147 HA HIS 19 HA HIS 19 8.190 -7.442 -7.442
148 1HB HIS 19 2HB HIS 19 6.522 -9.735 -9.735
149 2HB HIS 19 1HB HIS 19 7.664 -9.867 -9.867
150 HD1 HIS 19 1HD HIS 19 10.180 -9.422 -9.422
151 HD2 HIS 19 2HD HIS 19 7.627 -9.709 -9.709
152 HE1 HIS 19 1HE HIS 19 11.528 -9.745 -9.745
153 H SER 20 H SER 20 5.658 -5.839 -5.839
154 HA SER 20 HA SER 20 4.777 -6.670 -6.670
155 1HB SER 20 2HB SER 20 2.783 -6.215 -6.215
156 2HB SER 20 1HB SER 20 2.423 -6.679 -6.679
157 HG SER 20 HG SER 20 4.204 -8.414 -8.414
158 H MET 21 H MET 21 6.104 -4.549 -4.549
159 HA MET 21 HA MET 21 4.934 -2.095 -2.095
160 1HB MET 21 2HB MET 21 6.712 -2.675 -2.675
161 2HB MET 21 1HB MET 21 6.126 -1.061 -1.061
162 1HG MET 21 2HG MET 21 7.130 -1.766 -1.766
163 2HG MET 21 1HG MET 21 8.170 -2.674 -2.674
164 1HE MET 21 3HE MET 21 6.349 0.648 0.648
165 2HE MET 21 2HE MET 21 7.306 0.875 0.875
166 3HE MET 21 1HE MET 21 7.607 1.850 1.850
167 1HN DNP 22 HN DAP 22 3.912 -4.200 -4.200
168 HA DNP 22 HA DAP 22 2.535 -2.195 -2.195
169 1HB DNP 22 1HB DAP 22 1.053 -4.001 -4.001
170 2HB DNP 22 2HB DAP 22 1.597 -5.065 -5.065
171 1HG DNP 22 1HG DAP 22 2.758 -4.720 -4.720
172 2HG DNP 22 2HG DAP 22 3.353 -5.661 -5.661
173 3HG DNP 22 3HG DAP 22 3.861 -4.047 -4.047
174 H TYR 23 H TYR 23 1.821 -3.314 -3.314
175 HA TYR 23 HA TYR 23 -0.847 -1.964 -1.964
176 1HB TYR 23 2HB TYR 23 -0.046 -3.541 -3.541
177 2HB TYR 23 1HB TYR 23 -1.632 -3.129 -3.129
178 HD1 TYR 23 2HD TYR 23 -2.405 -4.215 -4.215
179 HD2 TYR 23 1HD TYR 23 0.686 -5.759 -5.759
180 HE1 TYR 23 2HE TYR 23 -2.722 -6.434 -6.434
181 HE2 TYR 23 1HE TYR 23 0.383 -7.967 -7.967
182 HH TYR 23 HH TYR 23 -0.490 -8.892 -8.892
183 H ARG 24 H ARG 24 1.707 -2.237 -2.237
184 HA ARG 24 HA ARG 24 1.401 -0.050 -0.050
185 1HB ARG 24 2HB ARG 24 2.837 -1.839 -1.839
186 2HB ARG 24 1HB ARG 24 3.887 -1.319 -1.319
187 1HG ARG 24 2HG ARG 24 4.473 0.577 0.577
188 2HG ARG 24 1HG ARG 24 3.055 0.681 0.681
189 1HD ARG 24 2HD ARG 24 4.242 -0.160 -0.160
190 2HD ARG 24 1HD ARG 24 4.315 -1.641 -1.641
191 HE ARG 24 HE ARG 24 6.467 -0.832 -0.832
192 1HH1 ARG 24 1HH2 ARG 24 6.397 1.914 1.914
193 2HH1 ARG 24 2HH2 ARG 24 7.253 2.119 2.119
194 1HH2 ARG 24 2HH1 ARG 24 6.901 -1.459 -1.459
195 2HH2 ARG 24 1HH1 ARG 24 7.614 -0.084 -0.084
196 H LEU 25 H LEU 25 2.816 -0.052 -0.052
197 HA LEU 25 HA LEU 25 4.200 2.402 2.402
198 1HB LEU 25 2HB LEU 25 4.362 0.703 0.703
199 2HB LEU 25 1HB LEU 25 2.803 0.941 0.941
200 HG LEU 25 HG LEU 25 3.462 3.376 3.376
201 1HD1 LEU 25 1HD1 LEU 25 5.432 3.575 3.575
202 2HD1 LEU 25 3HD1 LEU 25 6.266 2.338 2.338
203 3HD1 LEU 25 2HD1 LEU 25 5.857 3.879 3.879
204 1HD2 LEU 25 1HD2 LEU 25 5.018 1.111 1.111
205 2HD2 LEU 25 3HD2 LEU 25 3.358 1.569 1.569
206 3HD2 LEU 25 2HD2 LEU 25 4.670 2.673 2.673
207 H SER 26 H SER 26 1.158 1.873 1.873
208 HA SER 26 HA SER 26 0.387 4.638 4.638
209 1HB SER 26 2HB SER 26 1.309 4.728 4.728
210 2HB SER 26 1HB SER 26 -0.002 3.646 3.646
211 HG SER 26 HG SER 26 -1.316 5.272 5.272
212 H PHE 27 H PHE 27 -0.370 1.450 1.450
213 HA PHE 27 HA PHE 27 -3.308 2.073 2.073
214 1HB PHE 27 2HB PHE 27 -2.219 -0.629 -0.629
215 2HB PHE 27 1HB PHE 27 -3.809 -0.171 -0.171
216 HD1 PHE 27 2HD PHE 27 -1.638 1.531 1.531
217 HD2 PHE 27 1HD PHE 27 -3.164 -2.335 -2.335
218 HE1 PHE 27 2HE PHE 27 -1.166 0.769 0.769
219 HE2 PHE 27 1HE PHE 27 -2.688 -3.089 -3.089
220 HZ PHE 27 HZ PHE 27 -1.683 -1.537 -1.537
221 H CYS 28 H CYS 28 -1.009 1.013 1.013
222 HA CYS 28 HA CYS 28 -3.138 1.488 1.488
223 1HB CYS 28 2HB CYS 28 -0.656 0.177 0.177
224 2HB CYS 28 1HB CYS 28 -2.339 -0.278 -0.278
225 H ARG 29 H ARG 29 -1.986 3.590 3.590
226 HA ARG 29 HA ARG 29 0.270 4.868 4.868
227 1HB ARG 29 2HB ARG 29 -2.602 5.620 5.620
228 2HB ARG 29 1HB ARG 29 -1.506 6.890 6.890
229 1HG ARG 29 2HG ARG 29 -0.171 6.575 6.575
230 2HG ARG 29 1HG ARG 29 -0.838 4.982 4.982
231 1HD ARG 29 2HD ARG 29 -2.857 5.728 5.728
232 2HD ARG 29 1HD ARG 29 -2.735 7.327 7.327
233 HE ARG 29 HE ARG 29 -0.988 6.326 6.326
234 1HH1 ARG 29 1HH2 ARG 29 -0.098 8.899 8.899
235 2HH1 ARG 29 2HH2 ARG 29 -1.049 9.980 9.980
236 1HH2 ARG 29 2HH1 ARG 29 -3.499 7.449 7.449
237 2HH2 ARG 29 1HH1 ARG 29 -3.173 9.099 9.099
238 H LYS 30 H LYS 30 -2.574 5.181 5.181
239 HA LYS 30 HA LYS 30 -0.814 6.117 6.117
240 1HB LYS 30 2HB LYS 30 -3.849 5.751 5.751
241 2HB LYS 30 1HB LYS 30 -2.877 6.743 6.743
242 1HG LYS 30 2HG LYS 30 -3.213 7.181 7.181
243 2HG LYS 30 1HG LYS 30 -3.996 8.115 8.115
244 1HD LYS 30 2HD LYS 30 -1.588 8.737 8.737
245 2HD LYS 30 1HD LYS 30 -0.968 7.898 7.898
246 1HE LYS 30 2HE LYS 30 -1.089 10.303 10.303
247 2HE LYS 30 1HE LYS 30 -2.168 9.322 9.322
248 1HZ LYS 30 2HZ LYS 30 -3.615 10.014 10.014
249 2HZ LYS 30 1HZ LYS 30 -2.863 11.431 11.431
250 3HZ LYS 30 3HZ LYS 30 -3.804 10.486 10.486
251 H THR 31 H THR 31 -3.047 3.683 3.683
252 HA THR 31 HA THR 31 -3.226 2.090 2.090
253 HB THR 31 HB THR 31 -3.194 1.494 1.494
254 HG1 THR 31 1HG THR 31 -4.990 2.419 2.419
255 1HG2 THR 31 2HG2 THR 31 -3.827 -0.449 -0.449
256 2HG2 THR 31 1HG2 THR 31 -3.983 -0.707 -0.707
257 3HG2 THR 31 3HG2 THR 31 -2.385 -0.637 -0.637
258 H CYS 32 H CYS 32 -0.381 2.449 2.449
259 HA CYS 32 HA CYS 32 0.990 0.400 0.400
260 1HB CYS 32 2HB CYS 32 1.163 1.068 1.068
261 2HB CYS 32 1HB CYS 32 2.693 0.959 0.959
262 H GLY 33 H GLY 33 1.267 3.515 3.515
263 1HA GLY 33 2HA GLY 33 2.032 5.429 5.429
264 2HA GLY 33 1HA GLY 33 3.182 4.330 4.330
265 H THR 34 H THR 34 2.264 5.146 5.146
266 HA THR 34 HA THR 34 5.142 5.421 5.421
267 HB THR 34 HB THR 34 3.774 5.395 5.395
268 HG1 THR 34 1HG THR 34 2.282 3.528 3.528
269 1HG2 THR 34 3HG2 THR 34 5.624 3.783 3.783
270 2HG2 THR 34 2HG2 THR 34 4.370 2.919 2.919
271 3HG2 THR 34 1HG2 THR 34 4.364 2.959 2.959
272 H CYS 35 HN CYS 35 2.043 7.294 7.294
273 HA CYS 35 HA CYS 35 3.769 9.616 9.616
274 1HB CYS 35 2HB CYS 35 1.852 10.297 10.297
275 2HB CYS 35 1HB CYS 35 2.750 8.970 8.970
Start of MODEL 9
1 1H ARG 1 1H ARG 1 1.016 15.420 15.420
2 2H ARG 1 3H ARG 1 2.223 15.483 15.483
3 3H ARG 1 2H ARG 1 1.598 16.925 16.925
4 HA ARG 1 HA ARG 1 -0.023 16.984 16.984
5 1HB ARG 1 2HB ARG 1 1.825 15.667 15.667
6 2HB ARG 1 1HB ARG 1 0.954 14.222 14.222
7 1HG ARG 1 2HG ARG 1 0.420 14.819 14.819
8 2HG ARG 1 1HG ARG 1 -1.039 15.032 15.032
9 1HD ARG 1 2HD ARG 1 0.816 17.434 17.434
10 2HD ARG 1 1HD ARG 1 -0.155 16.842 16.842
11 HE ARG 1 HE ARG 1 -1.453 17.759 17.759
12 1HH1 ARG 1 1HH1 ARG 1 -3.497 16.833 16.833
13 2HH1 ARG 1 2HH1 ARG 1 -3.920 18.065 18.065
14 1HH2 ARG 1 1HH2 ARG 1 -0.802 19.676 19.676
15 2HH2 ARG 1 2HH2 ARG 1 -2.290 19.785 19.785
16 H SER 2 H SER 2 -2.006 15.253 15.253
17 HA SER 2 HA SER 2 -2.863 13.961 13.961
18 1HB SER 2 2HB SER 2 -4.739 14.849 14.849
19 2HB SER 2 1HB SER 2 -5.088 14.645 14.645
20 HG SER 2 HG SER 2 -4.490 16.669 16.669
21 H CYS 3 H CYS 3 -2.767 11.739 11.739
22 HA CYS 3 HA CYS 3 -3.456 10.456 10.456
23 1HB CYS 3 2HB CYS 3 -1.610 8.932 8.932
24 2HB CYS 3 1HB CYS 3 -0.988 10.554 10.554
25 H ILE 4 H ILE 4 -4.840 8.842 8.842
26 HA ILE 4 HA ILE 4 -5.529 8.027 8.027
27 HB ILE 4 HB ILE 4 -7.905 7.876 7.876
28 1HG1 ILE 4 2HG1 ILE 4 -8.377 9.244 9.244
29 2HG1 ILE 4 1HG1 ILE 4 -6.738 8.839 8.839
30 1HG2 ILE 4 1HG2 ILE 4 -7.126 9.944 9.944
31 2HG2 ILE 4 3HG2 ILE 4 -6.605 10.588 10.588
32 3HG2 ILE 4 2HG2 ILE 4 -8.314 10.327 10.327
33 1HD1 ILE 4 1HD1 ILE 4 -8.974 6.862 6.862
34 2HD1 ILE 4 3HD1 ILE 4 -8.379 7.203 7.203
35 3HD1 ILE 4 2HD1 ILE 4 -7.374 6.352 6.352
36 H ASP 5 H ASP 5 -6.122 5.954 5.954
37 HA ASP 5 HA ASP 5 -4.882 3.978 3.978
38 1HB ASP 5 2HB ASP 5 -6.848 3.287 3.287
39 2HB ASP 5 1HB ASP 5 -5.535 2.336 2.336
40 H THR 6 H THR 6 -5.948 2.366 2.366
41 HA THR 6 HA THR 6 -8.903 2.429 2.429
42 HB THR 6 HB THR 6 -8.060 4.037 4.037
43 HG1 THR 6 1HG THR 6 -8.798 1.482 1.482
44 1HG2 THR 6 1HG2 THR 6 -6.338 1.744 1.744
45 2HG2 THR 6 3HG2 THR 6 -6.499 3.345 3.345
46 3HG2 THR 6 2HG2 THR 6 -5.687 3.147 3.147
47 H ILE 7 H ILE 7 -6.995 0.831 0.831
48 HA ILE 7 HA ILE 7 -7.430 -1.765 -1.765
49 HB ILE 7 HB ILE 7 -5.073 -0.736 -0.736
50 1HG1 ILE 7 2HG1 ILE 7 -3.748 -2.717 -2.717
51 2HG1 ILE 7 1HG1 ILE 7 -5.232 -3.375 -3.375
52 1HG2 ILE 7 2HG2 ILE 7 -5.028 0.312 0.312
53 2HG2 ILE 7 1HG2 ILE 7 -4.974 -1.276 -1.276
54 3HG2 ILE 7 3HG2 ILE 7 -3.674 -0.735 -0.735
55 1HD1 ILE 7 1HD1 ILE 7 -6.180 -3.344 -3.344
56 2HD1 ILE 7 3HD1 ILE 7 -4.640 -2.723 -2.723
57 3HD1 ILE 7 2HD1 ILE 7 -4.734 -4.333 -4.333
58 HA PRO 8 HA PRO 8 -8.317 -2.864 -2.864
59 1HB PRO 8 2HB PRO 8 -8.252 -5.542 -5.542
60 2HB PRO 8 1HB PRO 8 -9.573 -4.699 -4.699
61 1HG PRO 8 2HG PRO 8 -6.904 -5.610 -5.610
62 2HG PRO 8 1HG PRO 8 -8.521 -6.078 -6.078
63 1HD PRO 8 2HD PRO 8 -7.329 -3.985 -3.985
64 2HD PRO 8 1HD PRO 8 -9.047 -3.859 -3.859
65 H LYS 9 H LYS 9 -6.924 -2.704 -2.704
66 HA LYS 9 HA LYS 9 -4.124 -2.676 -2.676
67 1HB LYS 9 2HB LYS 9 -5.443 -1.694 -1.694
68 2HB LYS 9 1HB LYS 9 -5.706 -3.323 -3.323
69 1HG LYS 9 2HG LYS 9 -2.868 -2.581 -2.581
70 2HG LYS 9 1HG LYS 9 -3.605 -1.828 -1.828
71 1HD LYS 9 2HD LYS 9 -3.964 -4.061 -4.061
72 2HD LYS 9 1HD LYS 9 -3.430 -4.845 -4.845
73 1HE LYS 9 2HE LYS 9 -1.526 -4.764 -4.764
74 2HE LYS 9 1HE LYS 9 -1.189 -3.766 -3.766
75 1HZ LYS 9 1HZ LYS 9 -2.522 -2.157 -2.157
76 2HZ LYS 9 3HZ LYS 9 -1.262 -2.953 -2.953
77 3HZ LYS 9 2HZ LYS 9 -0.937 -2.026 -2.026
78 H SER 10 H SER 10 -6.409 -5.011 -5.011
79 HA SER 10 HA SER 10 -5.134 -7.156 -7.156
80 1HB SER 10 2HB SER 10 -7.048 -7.622 -7.622
81 2HB SER 10 1HB SER 10 -7.178 -8.283 -8.283
82 HG SER 10 HG SER 10 -8.629 -6.668 -6.668
83 H ARG 11 H ARG 11 -5.104 -5.938 -5.938
84 HA ARG 11 HA ARG 11 -3.377 -8.054 -8.054
85 1HB ARG 11 2HB ARG 11 -5.109 -6.288 -6.288
86 2HB ARG 11 1HB ARG 11 -3.609 -5.395 -5.395
87 1HG ARG 11 2HG ARG 11 -3.857 -6.708 -6.708
88 2HG ARG 11 1HG ARG 11 -2.542 -7.363 -7.363
89 1HD ARG 11 2HD ARG 11 -4.203 -9.110 -9.110
90 2HD ARG 11 1HD ARG 11 -5.374 -8.517 -8.517
91 HE ARG 11 HE ARG 11 -2.665 -9.489 -9.489
92 1HH1 ARG 11 2HH1 ARG 11 -4.825 -8.458 -8.458
93 2HH1 ARG 11 1HH1 ARG 11 -5.440 -9.896 -9.896
94 1HH2 ARG 11 1HH2 ARG 11 -3.905 -11.840 -11.840
95 2HH2 ARG 11 2HH2 ARG 11 -4.857 -12.008 -12.008
96 H CYS 12 H CYS 12 -3.079 -4.815 -4.815
97 HA CYS 12 HA CYS 12 -0.125 -4.883 -4.883
98 1HB CYS 12 2HB CYS 12 -2.076 -2.722 -2.722
99 2HB CYS 12 1HB CYS 12 -0.749 -2.549 -2.549
100 H THR 13 H THR 13 -0.925 -6.847 -6.847
101 HA THR 13 HA THR 13 -0.921 -6.397 -6.397
102 HB THR 13 HB THR 13 -1.968 -8.469 -8.469
103 HG1 THR 13 1HG THR 13 -0.118 -9.952 -9.952
104 1HG2 THR 13 2HG2 THR 13 0.693 -9.200 -9.200
105 2HG2 THR 13 1HG2 THR 13 -0.748 -10.213 -10.213
106 3HG2 THR 13 3HG2 THR 13 -0.801 -8.734 -8.734
107 H ALA 14 H ALA 14 0.933 -7.641 -7.641
108 HA ALA 14 HA ALA 14 3.289 -6.082 -6.082
109 1HB ALA 14 3HB ALA 14 2.808 -6.815 -6.815
110 2HB ALA 14 2HB ALA 14 3.057 -8.493 -8.493
111 3HB ALA 14 1HB ALA 14 4.393 -7.359 -7.359
112 H PHE 15 H PHE 15 2.058 -8.973 -8.973
113 HA PHE 15 HA PHE 15 4.634 -10.125 -10.125
114 1HB PHE 15 2HB PHE 15 2.142 -11.234 -11.234
115 2HB PHE 15 1HB PHE 15 3.464 -12.052 -12.052
116 HD1 PHE 15 1HD PHE 15 3.388 -10.744 -10.744
117 HD2 PHE 15 2HD PHE 15 0.244 -12.172 -12.172
118 HE1 PHE 15 1HE PHE 15 1.972 -11.099 -11.099
119 HE2 PHE 15 2HE PHE 15 -1.165 -12.523 -12.523
120 HZ PHE 15 HZ PHE 15 -0.306 -11.980 -11.980
121 H GLN 16 H GLN 16 2.449 -7.856 -7.856
122 HA GLN 16 HA GLN 16 3.698 -8.124 -8.124
123 1HB GLN 16 2HB GLN 16 1.015 -6.814 -6.814
124 2HB GLN 16 1HB GLN 16 1.669 -7.423 -7.423
125 1HG GLN 16 2HG GLN 16 1.501 -9.617 -9.617
126 2HG GLN 16 1HG GLN 16 0.004 -8.818 -8.818
127 1HE2 GLN 16 2HE2 GLN 16 1.781 -10.874 -10.874
128 2HE2 GLN 16 1HE2 GLN 16 2.742 -10.290 -10.290
129 H CYS 17 H CYS 17 2.396 -5.863 -5.863
130 HA CYS 17 HA CYS 17 3.084 -3.416 -3.416
131 1HB CYS 17 2HB CYS 17 1.896 -3.798 -3.798
132 2HB CYS 17 1HB CYS 17 3.449 -4.029 -4.029
133 H LYS 18 H LYS 18 4.971 -5.773 -5.773
134 HA LYS 18 HA LYS 18 7.394 -4.105 -4.105
135 1HB LYS 18 2HB LYS 18 6.841 -5.407 -5.407
136 2HB LYS 18 1HB LYS 18 7.017 -6.890 -6.890
137 1HG LYS 18 2HG LYS 18 9.067 -6.493 -6.493
138 2HG LYS 18 1HG LYS 18 9.413 -6.328 -6.328
139 1HD LYS 18 2HD LYS 18 9.120 -3.833 -3.833
140 2HD LYS 18 1HD LYS 18 8.831 -4.035 -4.035
141 1HE LYS 18 2HE LYS 18 11.120 -4.944 -4.944
142 2HE LYS 18 1HE LYS 18 11.373 -4.814 -4.814
143 1HZ LYS 18 3HZ LYS 18 10.410 -2.339 -2.339
144 2HZ LYS 18 2HZ LYS 18 11.693 -2.823 -2.823
145 3HZ LYS 18 1HZ LYS 18 11.933 -2.689 -2.689
146 H HIS 19 H HIS 19 5.849 -6.533 -6.533
147 HA HIS 19 HA HIS 19 8.305 -7.107 -7.107
148 1HB HIS 19 2HB HIS 19 6.151 -8.972 -8.972
149 2HB HIS 19 1HB HIS 19 6.928 -9.315 -9.315
150 HD1 HIS 19 1HD HIS 19 9.513 -9.546 -9.546
151 HD2 HIS 19 2HD HIS 19 7.619 -9.579 -9.579
152 HE1 HIS 19 1HE HIS 19 11.071 -10.485 -10.485
153 H SER 20 H SER 20 4.811 -6.933 -6.933
154 HA SER 20 HA SER 20 4.911 -6.772 -6.772
155 1HB SER 20 2HB SER 20 2.386 -6.559 -6.559
156 2HB SER 20 1HB SER 20 2.688 -7.381 -7.381
157 HG SER 20 HG SER 20 3.262 -9.131 -9.131
158 H MET 21 H MET 21 5.970 -4.655 -4.655
159 HA MET 21 HA MET 21 4.743 -2.253 -2.253
160 1HB MET 21 2HB MET 21 6.443 -2.732 -2.732
161 2HB MET 21 1HB MET 21 5.826 -1.147 -1.147
162 1HG MET 21 2HG MET 21 6.930 -1.733 -1.733
163 2HG MET 21 1HG MET 21 7.914 -2.762 -2.762
164 1HE MET 21 2HE MET 21 6.192 0.560 0.560
165 2HE MET 21 1HE MET 21 7.203 0.904 0.904
166 3HE MET 21 3HE MET 21 7.459 1.743 1.743
167 1HN DNP 22 HN DAP 22 3.733 -4.416 -4.416
168 HA DNP 22 HA DAP 22 2.174 -2.652 -2.652
169 1HB DNP 22 1HB DAP 22 2.382 -5.007 -5.007
170 2HB DNP 22 2HB DAP 22 0.675 -4.710 -4.710
171 1HG DNP 22 1HG DAP 22 0.796 -6.234 -6.234
172 2HG DNP 22 2HG DAP 22 1.905 -5.265 -5.265
173 3HG DNP 22 3HG DAP 22 2.455 -6.470 -6.470
174 H TYR 23 H TYR 23 1.868 -3.064 -3.064
175 HA TYR 23 HA TYR 23 -0.859 -1.944 -1.944
176 1HB TYR 23 2HB TYR 23 0.159 -3.654 -3.654
177 2HB TYR 23 1HB TYR 23 -1.509 -3.290 -3.290
178 HD1 TYR 23 2HD TYR 23 -1.863 -4.053 -4.053
179 HD2 TYR 23 1HD TYR 23 0.446 -5.913 -5.913
180 HE1 TYR 23 2HE TYR 23 -2.050 -6.204 -6.204
181 HE2 TYR 23 1HE TYR 23 0.278 -8.039 -8.039
182 HH TYR 23 HH TYR 23 -0.526 -9.139 -9.139
183 H ARG 24 H ARG 24 1.836 -2.406 -2.406
184 HA ARG 24 HA ARG 24 1.730 -0.103 -0.103
185 1HB ARG 24 2HB ARG 24 3.074 -1.711 -1.711
186 2HB ARG 24 1HB ARG 24 3.770 -2.206 -2.206
187 1HG ARG 24 2HG ARG 24 5.570 -1.361 -1.361
188 2HG ARG 24 1HG ARG 24 4.868 0.197 0.197
189 1HD ARG 24 2HD ARG 24 4.464 0.672 0.672
190 2HD ARG 24 1HD ARG 24 4.376 -1.043 -1.043
191 HE ARG 24 HE ARG 24 6.720 -1.203 -1.203
192 1HH1 ARG 24 1HH2 ARG 24 7.348 1.566 1.566
193 2HH1 ARG 24 2HH2 ARG 24 7.969 2.312 2.312
194 1HH2 ARG 24 2HH1 ARG 24 6.547 -0.337 -0.337
195 2HH2 ARG 24 1HH1 ARG 24 7.442 1.117 1.117
196 H LEU 25 H LEU 25 2.738 -0.284 -0.284
197 HA LEU 25 HA LEU 25 4.382 2.005 2.005
198 1HB LEU 25 2HB LEU 25 4.200 0.351 0.351
199 2HB LEU 25 1HB LEU 25 2.599 0.623 0.623
200 HG LEU 25 HG LEU 25 3.330 3.019 3.019
201 1HD1 LEU 25 3HD1 LEU 25 6.141 1.901 1.901
202 2HD1 LEU 25 2HD1 LEU 25 5.746 3.421 3.421
203 3HD1 LEU 25 1HD1 LEU 25 5.413 3.205 3.205
204 1HD2 LEU 25 1HD2 LEU 25 3.126 1.123 1.123
205 2HD2 LEU 25 3HD2 LEU 25 4.439 2.193 2.193
206 3HD2 LEU 25 2HD2 LEU 25 4.786 0.665 0.665
207 H SER 26 H SER 26 1.274 1.817 1.817
208 HA SER 26 HA SER 26 0.560 4.437 4.437
209 1HB SER 26 2HB SER 26 1.535 4.438 4.438
210 2HB SER 26 1HB SER 26 -0.215 4.306 4.306
211 HG SER 26 HG SER 26 1.165 6.423 6.423
212 H PHE 27 H PHE 27 -0.287 1.508 1.508
213 HA PHE 27 HA PHE 27 -3.177 2.012 2.012
214 1HB PHE 27 2HB PHE 27 -2.036 -0.554 -0.554
215 2HB PHE 27 1HB PHE 27 -3.544 -0.303 -0.303
216 HD1 PHE 27 2HD PHE 27 0.147 0.143 0.143
217 HD2 PHE 27 1HD PHE 27 -3.684 -0.542 -0.542
218 HE1 PHE 27 2HE PHE 27 1.207 -0.185 -0.185
219 HE2 PHE 27 1HE PHE 27 -2.594 -0.876 -0.876
220 HZ PHE 27 HZ PHE 27 -0.143 -0.711 -0.711
221 H CYS 28 H CYS 28 -1.117 1.174 1.174
222 HA CYS 28 HA CYS 28 -3.343 1.703 1.703
223 1HB CYS 28 2HB CYS 28 -0.912 0.387 0.387
224 2HB CYS 28 1HB CYS 28 -2.587 -0.086 -0.086
225 H ARG 29 H ARG 29 -2.041 3.732 3.732
226 HA ARG 29 HA ARG 29 0.221 4.965 4.965
227 1HB ARG 29 2HB ARG 29 -2.601 5.830 5.830
228 2HB ARG 29 1HB ARG 29 -1.533 7.063 7.063
229 1HG ARG 29 2HG ARG 29 -0.666 7.288 7.288
230 2HG ARG 29 1HG ARG 29 -0.117 5.668 5.668
231 1HD ARG 29 2HD ARG 29 -1.478 5.816 5.816
232 2HD ARG 29 1HD ARG 29 -2.460 4.936 4.936
233 HE ARG 29 HE ARG 29 -3.521 7.205 7.205
234 1HH1 ARG 29 2HH1 ARG 29 -1.590 8.203 8.203
235 2HH1 ARG 29 1HH1 ARG 29 -2.640 8.466 8.466
236 1HH2 ARG 29 1HH2 ARG 29 -5.164 6.587 6.587
237 2HH2 ARG 29 2HH2 ARG 29 -4.946 7.384 7.384
238 H LYS 30 H LYS 30 -2.591 5.371 5.371
239 HA LYS 30 HA LYS 30 -0.885 6.289 6.289
240 1HB LYS 30 2HB LYS 30 -3.905 5.831 5.831
241 2HB LYS 30 1HB LYS 30 -3.021 6.777 6.777
242 1HG LYS 30 2HG LYS 30 -3.110 7.395 7.395
243 2HG LYS 30 1HG LYS 30 -4.152 8.176 8.176
244 1HD LYS 30 2HD LYS 30 -1.524 8.529 8.529
245 2HD LYS 30 1HD LYS 30 -1.224 8.523 8.523
246 1HE LYS 30 2HE LYS 30 -1.664 10.801 10.801
247 2HE LYS 30 1HE LYS 30 -2.826 10.307 10.307
248 1HZ LYS 30 2HZ LYS 30 -3.688 9.391 9.391
249 2HZ LYS 30 1HZ LYS 30 -3.382 11.044 11.044
250 3HZ LYS 30 3HZ LYS 30 -4.473 10.497 10.497
251 H THR 31 H THR 31 -3.038 3.787 3.787
252 HA THR 31 HA THR 31 -3.245 2.177 2.177
253 HB THR 31 HB THR 31 -2.948 1.492 1.492
254 HG1 THR 31 1HG THR 31 -4.825 2.584 2.584
255 1HG2 THR 31 2HG2 THR 31 -3.876 -0.333 -0.333
256 2HG2 THR 31 1HG2 THR 31 -3.937 -0.691 -0.691
257 3HG2 THR 31 3HG2 THR 31 -2.385 -0.601 -0.601
258 H CYS 32 H CYS 32 -0.378 2.619 2.619
259 HA CYS 32 HA CYS 32 1.060 0.666 0.666
260 1HB CYS 32 2HB CYS 32 1.360 1.483 1.483
261 2HB CYS 32 1HB CYS 32 2.824 1.144 1.144
262 H GLY 33 H GLY 33 1.259 3.648 3.648
263 1HA GLY 33 2HA GLY 33 1.732 5.766 5.766
264 2HA GLY 33 1HA GLY 33 2.778 4.867 4.867
265 H THR 34 H THR 34 2.362 5.122 5.122
266 HA THR 34 HA THR 34 5.327 5.334 5.334
267 HB THR 34 HB THR 34 4.443 4.941 4.941
268 HG1 THR 34 1HG THR 34 2.726 3.386 3.386
269 1HG2 THR 34 2HG2 THR 34 5.977 3.409 3.409
270 2HG2 THR 34 1HG2 THR 34 4.540 2.766 2.766
271 3HG2 THR 34 3HG2 THR 34 4.849 2.463 2.463
272 H CYS 35 HN CYS 35 2.362 7.182 7.182
273 HA CYS 35 HA CYS 35 4.077 9.423 9.423
274 1HB CYS 35 2HB CYS 35 2.101 10.003 10.003
275 2HB CYS 35 1HB CYS 35 2.869 8.554 8.554
Start of MODEL 10
1 1H ARG 1 1H ARG 1 -1.379 17.058 17.058
2 2H ARG 1 3H ARG 1 -0.234 18.308 18.308
3 3H ARG 1 2H ARG 1 0.054 16.936 16.936
4 HA ARG 1 HA ARG 1 1.071 15.944 15.944
5 1HB ARG 1 2HB ARG 1 1.332 17.227 17.227
6 2HB ARG 1 1HB ARG 1 1.767 18.206 18.206
7 1HG ARG 1 2HG ARG 1 -0.565 19.299 19.299
8 2HG ARG 1 1HG ARG 1 -0.901 18.321 18.321
9 1HD ARG 1 2HD ARG 1 1.098 19.375 19.375
10 2HD ARG 1 1HD ARG 1 1.290 20.434 20.434
11 HE ARG 1 HE ARG 1 -1.161 20.384 20.384
12 1HH1 ARG 1 1HH1 ARG 1 -1.907 21.619 21.619
13 2HH1 ARG 1 2HH1 ARG 1 -1.452 23.277 23.277
14 1HH2 ARG 1 1HH2 ARG 1 0.832 22.489 22.489
15 2HH2 ARG 1 2HH2 ARG 1 0.246 23.809 23.809
16 H SER 2 H SER 2 -1.262 14.742 14.742
17 HA SER 2 HA SER 2 -2.234 13.943 13.943
18 1HB SER 2 2HB SER 2 -4.166 14.838 14.838
19 2HB SER 2 1HB SER 2 -4.588 14.413 14.413
20 HG SER 2 HG SER 2 -2.865 16.140 16.140
21 H CYS 3 H CYS 3 -3.134 11.753 11.753
22 HA CYS 3 HA CYS 3 -3.347 10.446 10.446
23 1HB CYS 3 2HB CYS 3 -1.515 8.876 8.876
24 2HB CYS 3 1HB CYS 3 -0.867 10.487 10.487
25 H ILE 4 H ILE 4 -4.514 8.506 8.506
26 HA ILE 4 HA ILE 4 -5.316 7.874 7.874
27 HB ILE 4 HB ILE 4 -7.716 7.727 7.727
28 1HG1 ILE 4 2HG1 ILE 4 -8.048 9.294 9.294
29 2HG1 ILE 4 1HG1 ILE 4 -6.432 8.790 8.790
30 1HG2 ILE 4 3HG2 ILE 4 -6.965 9.726 9.726
31 2HG2 ILE 4 2HG2 ILE 4 -6.444 10.479 10.479
32 3HG2 ILE 4 1HG2 ILE 4 -8.146 10.165 10.165
33 1HD1 ILE 4 3HD1 ILE 4 -8.760 6.887 6.887
34 2HD1 ILE 4 2HD1 ILE 4 -8.098 7.313 7.313
35 3HD1 ILE 4 1HD1 ILE 4 -7.144 6.381 6.381
36 H ASP 5 H ASP 5 -6.039 5.739 5.739
37 HA ASP 5 HA ASP 5 -4.754 3.866 3.866
38 1HB ASP 5 2HB ASP 5 -6.719 3.218 3.218
39 2HB ASP 5 1HB ASP 5 -5.439 2.202 2.202
40 H THR 6 H THR 6 -5.997 2.134 2.134
41 HA THR 6 HA THR 6 -8.885 2.425 2.425
42 HB THR 6 HB THR 6 -7.985 4.050 4.050
43 HG1 THR 6 1HG THR 6 -8.805 1.537 1.537
44 1HG2 THR 6 1HG2 THR 6 -6.289 1.747 1.747
45 2HG2 THR 6 3HG2 THR 6 -6.388 3.371 3.371
46 3HG2 THR 6 2HG2 THR 6 -5.628 3.109 3.109
47 H ILE 7 H ILE 7 -7.014 0.771 0.771
48 HA ILE 7 HA ILE 7 -7.382 -1.772 -1.772
49 HB ILE 7 HB ILE 7 -5.023 -0.667 -0.667
50 1HG1 ILE 7 2HG1 ILE 7 -3.753 -2.723 -2.723
51 2HG1 ILE 7 1HG1 ILE 7 -5.249 -3.479 -3.479
52 1HG2 ILE 7 3HG2 ILE 7 -5.220 0.029 0.029
53 2HG2 ILE 7 2HG2 ILE 7 -5.164 -1.664 -1.664
54 3HG2 ILE 7 1HG2 ILE 7 -3.803 -0.924 -0.924
55 1HD1 ILE 7 1HD1 ILE 7 -6.064 -3.198 -3.198
56 2HD1 ILE 7 3HD1 ILE 7 -4.504 -2.498 -2.498
57 3HD1 ILE 7 2HD1 ILE 7 -4.608 -4.172 -4.172
58 HA PRO 8 HA PRO 8 -8.618 -3.254 -3.254
59 1HB PRO 8 2HB PRO 8 -8.329 -5.907 -5.907
60 2HB PRO 8 1HB PRO 8 -9.659 -5.103 -5.103
61 1HG PRO 8 2HG PRO 8 -6.842 -5.658 -5.658
62 2HG PRO 8 1HG PRO 8 -8.375 -6.217 -6.217
63 1HD PRO 8 2HD PRO 8 -7.319 -3.956 -3.956
64 2HD PRO 8 1HD PRO 8 -9.068 -3.984 -3.984
65 H LYS 9 H LYS 9 -7.230 -2.761 -2.761
66 HA LYS 9 HA LYS 9 -4.459 -2.659 -2.659
67 1HB LYS 9 2HB LYS 9 -5.970 -1.687 -1.687
68 2HB LYS 9 1HB LYS 9 -6.101 -3.287 -3.287
69 1HG LYS 9 2HG LYS 9 -3.363 -2.256 -2.256
70 2HG LYS 9 1HG LYS 9 -4.241 -1.556 -1.556
71 1HD LYS 9 2HD LYS 9 -4.180 -3.622 -3.622
72 2HD LYS 9 1HD LYS 9 -3.813 -4.523 -4.523
73 1HE LYS 9 2HE LYS 9 -1.684 -4.101 -4.101
74 2HE LYS 9 1HE LYS 9 -1.581 -3.449 -3.449
75 1HZ LYS 9 3HZ LYS 9 -2.740 -1.491 -1.491
76 2HZ LYS 9 2HZ LYS 9 -1.262 -2.032 -2.032
77 3HZ LYS 9 1HZ LYS 9 -1.363 -1.341 -1.341
78 H SER 10 H SER 10 -6.614 -5.158 -5.158
79 HA SER 10 HA SER 10 -4.982 -7.081 -7.081
80 1HB SER 10 2HB SER 10 -7.597 -7.184 -7.184
81 2HB SER 10 1HB SER 10 -6.884 -8.136 -8.136
82 HG SER 10 HG SER 10 -6.193 -9.599 -9.599
83 H ARG 11 H ARG 11 -5.150 -6.097 -6.097
84 HA ARG 11 HA ARG 11 -3.331 -8.193 -8.193
85 1HB ARG 11 2HB ARG 11 -5.138 -6.653 -6.653
86 2HB ARG 11 1HB ARG 11 -3.761 -5.585 -5.585
87 1HG ARG 11 2HG ARG 11 -3.709 -7.083 -7.083
88 2HG ARG 11 1HG ARG 11 -2.370 -7.473 -7.473
89 1HD ARG 11 2HD ARG 11 -4.161 -9.223 -9.223
90 2HD ARG 11 1HD ARG 11 -4.969 -8.917 -8.917
91 HE ARG 11 HE ARG 11 -2.073 -9.802 -9.802
92 1HH1 ARG 11 2HH1 ARG 11 -2.272 -9.641 -9.641
93 2HH1 ARG 11 1HH1 ARG 11 -3.130 -11.001 -11.001
94 1HH2 ARG 11 1HH2 ARG 11 -4.470 -11.616 -11.616
95 2HH2 ARG 11 2HH2 ARG 11 -4.526 -12.250 -12.250
96 H CYS 12 H CYS 12 -3.273 -5.011 -5.011
97 HA CYS 12 HA CYS 12 -0.401 -4.641 -4.641
98 1HB CYS 12 2HB CYS 12 -2.308 -2.977 -2.977
99 2HB CYS 12 1HB CYS 12 -0.914 -2.425 -2.425
100 H THR 13 H THR 13 -1.160 -6.934 -6.934
101 HA THR 13 HA THR 13 -0.975 -6.373 -6.373
102 HB THR 13 HB THR 13 -1.773 -8.650 -8.650
103 HG1 THR 13 1HG THR 13 -0.093 -9.705 -9.705
104 1HG2 THR 13 2HG2 THR 13 0.532 -9.015 -9.015
105 2HG2 THR 13 1HG2 THR 13 -0.679 -10.225 -10.225
106 3HG2 THR 13 3HG2 THR 13 -1.148 -8.801 -8.801
107 H ALA 14 H ALA 14 0.882 -6.482 -6.482
108 HA ALA 14 HA ALA 14 3.079 -5.015 -5.015
109 1HB ALA 14 2HB ALA 14 3.120 -7.502 -7.502
110 2HB ALA 14 1HB ALA 14 4.326 -6.227 -6.227
111 3HB ALA 14 3HB ALA 14 2.680 -5.888 -5.888
112 H PHE 15 H PHE 15 2.514 -8.295 -8.295
113 HA PHE 15 HA PHE 15 4.886 -9.414 -9.414
114 1HB PHE 15 2HB PHE 15 2.227 -10.167 -10.167
115 2HB PHE 15 1HB PHE 15 3.575 -11.190 -11.190
116 HD1 PHE 15 2HD PHE 15 3.564 -9.731 -9.731
117 HD2 PHE 15 1HD PHE 15 0.823 -11.915 -11.915
118 HE1 PHE 15 2HE PHE 15 2.371 -10.480 -10.480
119 HE2 PHE 15 1HE PHE 15 -0.359 -12.669 -12.669
120 HZ PHE 15 HZ PHE 15 0.405 -11.952 -11.952
121 H GLN 16 H GLN 16 2.252 -7.974 -7.974
122 HA GLN 16 HA GLN 16 3.811 -7.917 -7.917
123 1HB GLN 16 2HB GLN 16 1.068 -6.702 -6.702
124 2HB GLN 16 1HB GLN 16 1.636 -7.342 -7.342
125 1HG GLN 16 2HG GLN 16 1.800 -9.535 -9.535
126 2HG GLN 16 1HG GLN 16 0.266 -8.729 -8.729
127 1HE2 GLN 16 2HE2 GLN 16 1.174 -10.839 -10.839
128 2HE2 GLN 16 1HE2 GLN 16 2.398 -10.486 -10.486
129 H CYS 17 H CYS 17 2.991 -5.997 -5.997
130 HA CYS 17 HA CYS 17 3.440 -3.350 -3.350
131 1HB CYS 17 2HB CYS 17 2.317 -4.052 -4.052
132 2HB CYS 17 1HB CYS 17 3.959 -3.950 -3.950
133 H LYS 18 H LYS 18 5.260 -5.901 -5.901
134 HA LYS 18 HA LYS 18 7.795 -4.376 -4.376
135 1HB LYS 18 2HB LYS 18 7.058 -6.139 -6.139
136 2HB LYS 18 1HB LYS 18 7.449 -7.352 -7.352
137 1HG LYS 18 2HG LYS 18 9.429 -7.158 -7.158
138 2HG LYS 18 1HG LYS 18 9.789 -6.255 -6.255
139 1HD LYS 18 2HD LYS 18 9.238 -4.129 -4.129
140 2HD LYS 18 1HD LYS 18 8.667 -4.978 -4.978
141 1HE LYS 18 2HE LYS 18 11.006 -5.889 -5.889
142 2HE LYS 18 1HE LYS 18 11.546 -4.914 -4.914
143 1HZ LYS 18 1HZ LYS 18 10.090 -3.288 -3.288
144 2HZ LYS 18 3HZ LYS 18 11.293 -4.130 -4.130
145 3HZ LYS 18 2HZ LYS 18 11.717 -3.164 -3.164
146 H HIS 19 H HIS 19 6.363 -7.373 -7.373
147 HA HIS 19 HA HIS 19 8.341 -7.189 -7.189
148 1HB HIS 19 2HB HIS 19 6.758 -9.570 -9.570
149 2HB HIS 19 1HB HIS 19 7.897 -9.616 -9.616
150 HD1 HIS 19 1HD HIS 19 10.391 -9.405 -9.405
151 HD2 HIS 19 2HD HIS 19 7.853 -9.402 -9.402
152 HE1 HIS 19 1HE HIS 19 11.736 -9.720 -9.720
153 H SER 20 H SER 20 5.679 -5.702 -5.702
154 HA SER 20 HA SER 20 4.822 -6.652 -6.652
155 1HB SER 20 2HB SER 20 2.860 -6.209 -6.209
156 2HB SER 20 1HB SER 20 2.518 -6.733 -6.733
157 HG SER 20 HG SER 20 4.394 -8.373 -8.373
158 H MET 21 H MET 21 6.006 -4.529 -4.529
159 HA MET 21 HA MET 21 4.900 -2.067 -2.067
160 1HB MET 21 2HB MET 21 6.285 -2.708 -2.708
161 2HB MET 21 1HB MET 21 5.865 -1.082 -1.082
162 1HG MET 21 2HG MET 21 7.236 -2.112 -2.112
163 2HG MET 21 1HG MET 21 8.098 -2.755 -2.755
164 1HE MET 21 1HE MET 21 6.177 0.462 0.462
165 2HE MET 21 3HE MET 21 7.269 0.407 0.407
166 3HE MET 21 2HE MET 21 7.423 1.664 1.664
167 1HN DNP 22 HN DAP 22 3.750 -4.347 -4.347
168 HA DNP 22 HA DAP 22 2.034 -2.583 -2.583
169 1HB DNP 22 1HB DAP 22 2.280 -4.970 -4.970
170 2HB DNP 22 2HB DAP 22 0.581 -4.644 -4.644
171 1HG DNP 22 1HG DAP 22 2.232 -6.560 -6.560
172 2HG DNP 22 2HG DAP 22 0.599 -6.256 -6.256
173 3HG DNP 22 3HG DAP 22 1.764 -5.424 -5.424
174 H TYR 23 H TYR 23 1.848 -3.024 -3.024
175 HA TYR 23 HA TYR 23 -0.955 -2.071 -2.071
176 1HB TYR 23 2HB TYR 23 0.184 -3.834 -3.834
177 2HB TYR 23 1HB TYR 23 -1.502 -3.426 -3.426
178 HD1 TYR 23 1HD TYR 23 -2.217 -3.959 -3.959
179 HD2 TYR 23 2HD TYR 23 0.536 -6.102 -6.102
180 HE1 TYR 23 1HE TYR 23 -2.578 -5.936 -5.936
181 HE2 TYR 23 2HE TYR 23 0.205 -8.113 -8.113
182 HH TYR 23 HH TYR 23 -1.985 -8.020 -8.020
183 H ARG 24 H ARG 24 1.790 -2.392 -2.392
184 HA ARG 24 HA ARG 24 1.449 -0.173 -0.173
185 1HB ARG 24 2HB ARG 24 2.974 -1.949 -1.949
186 2HB ARG 24 1HB ARG 24 3.969 -1.358 -1.358
187 1HG ARG 24 2HG ARG 24 4.430 0.591 0.591
188 2HG ARG 24 1HG ARG 24 3.041 0.585 0.585
189 1HD ARG 24 2HD ARG 24 4.392 -0.038 -0.038
190 2HD ARG 24 1HD ARG 24 4.378 -1.595 -1.595
191 HE ARG 24 HE ARG 24 6.452 -0.897 -0.897
192 1HH1 ARG 24 1HH2 ARG 24 7.019 1.769 1.769
193 2HH1 ARG 24 2HH2 ARG 24 7.891 1.905 1.905
194 1HH2 ARG 24 2HH1 ARG 24 6.714 -1.356 -1.356
195 2HH2 ARG 24 1HH1 ARG 24 7.675 -0.037 -0.037
196 H LEU 25 H LEU 25 2.677 -0.242 -0.242
197 HA LEU 25 HA LEU 25 4.063 2.191 2.191
198 1HB LEU 25 2HB LEU 25 4.117 0.468 0.468
199 2HB LEU 25 1HB LEU 25 2.540 0.721 0.721
200 HG LEU 25 HG LEU 25 3.130 3.059 3.059
201 1HD1 LEU 25 1HD1 LEU 25 5.971 2.370 2.370
202 2HD1 LEU 25 3HD1 LEU 25 5.496 3.789 3.789
203 3HD1 LEU 25 2HD1 LEU 25 4.950 3.601 3.601
204 1HD2 LEU 25 2HD2 LEU 25 3.381 1.155 1.155
205 2HD2 LEU 25 1HD2 LEU 25 4.592 2.384 2.384
206 3HD2 LEU 25 3HD2 LEU 25 5.036 0.916 0.916
207 H SER 26 H SER 26 0.958 1.709 1.709
208 HA SER 26 HA SER 26 0.268 4.518 4.518
209 1HB SER 26 2HB SER 26 1.164 4.555 4.555
210 2HB SER 26 1HB SER 26 -0.173 3.494 3.494
211 HG SER 26 HG SER 26 -1.426 5.154 5.154
212 H PHE 27 H PHE 27 -0.519 1.390 1.390
213 HA PHE 27 HA PHE 27 -3.457 1.905 1.905
214 1HB PHE 27 2HB PHE 27 -2.253 -0.703 -0.703
215 2HB PHE 27 1HB PHE 27 -3.766 -0.398 -0.398
216 HD1 PHE 27 2HD PHE 27 -0.068 -0.068 -0.068
217 HD2 PHE 27 1HD PHE 27 -3.949 -0.527 -0.527
218 HE1 PHE 27 2HE PHE 27 0.951 -0.342 -0.342
219 HE2 PHE 27 1HE PHE 27 -2.891 -0.814 -0.814
220 HZ PHE 27 HZ PHE 27 -0.443 -0.731 -0.731
221 H CYS 28 H CYS 28 -1.143 1.024 1.024
222 HA CYS 28 HA CYS 28 -3.200 1.541 1.541
223 1HB CYS 28 2HB CYS 28 -0.672 0.178 0.178
224 2HB CYS 28 1HB CYS 28 -2.329 -0.270 -0.270
225 H ARG 29 H ARG 29 -1.958 3.497 3.497
226 HA ARG 29 HA ARG 29 0.269 4.833 4.833
227 1HB ARG 29 2HB ARG 29 -2.600 5.559 5.559
228 2HB ARG 29 1HB ARG 29 -1.494 6.843 6.843
229 1HG ARG 29 2HG ARG 29 -0.242 6.468 6.468
230 2HG ARG 29 1HG ARG 29 -0.983 4.896 4.896
231 1HD ARG 29 2HD ARG 29 -2.970 5.709 5.709
232 2HD ARG 29 1HD ARG 29 -2.799 7.278 7.278
233 HE ARG 29 HE ARG 29 -1.205 6.295 6.295
234 1HH1 ARG 29 2HH1 ARG 29 0.088 8.571 8.571
235 2HH1 ARG 29 1HH1 ARG 29 -0.685 9.923 9.923
236 1HH2 ARG 29 1HH2 ARG 29 -3.552 7.848 7.848
237 2HH2 ARG 29 2HH2 ARG 29 -3.006 9.472 9.472
238 H LYS 30 H LYS 30 -2.469 5.233 5.233
239 HA LYS 30 HA LYS 30 -0.564 6.091 6.091
240 1HB LYS 30 2HB LYS 30 -3.618 6.159 6.159
241 2HB LYS 30 1HB LYS 30 -2.655 6.850 6.850
242 1HG LYS 30 2HG LYS 30 -1.415 7.768 7.768
243 2HG LYS 30 1HG LYS 30 -3.130 7.903 7.903
244 1HD LYS 30 2HD LYS 30 -3.432 9.419 9.419
245 2HD LYS 30 1HD LYS 30 -1.874 9.056 9.056
246 1HE LYS 30 2HE LYS 30 -2.241 10.273 10.273
247 2HE LYS 30 1HE LYS 30 -1.915 11.230 11.230
248 1HZ LYS 30 1HZ LYS 30 0.075 9.174 9.174
249 2HZ LYS 30 3HZ LYS 30 -0.014 9.919 9.919
250 3HZ LYS 30 2HZ LYS 30 0.362 10.777 10.777
251 H THR 31 H THR 31 -3.063 3.806 3.806
252 HA THR 31 HA THR 31 -3.379 2.197 2.197
253 HB THR 31 HB THR 31 -3.108 1.471 1.471
254 HG1 THR 31 1HG THR 31 -4.932 2.606 2.606
255 1HG2 THR 31 2HG2 THR 31 -4.107 -0.247 -0.247
256 2HG2 THR 31 1HG2 THR 31 -4.127 -0.629 -0.629
257 3HG2 THR 31 3HG2 THR 31 -2.591 -0.595 -0.595
258 H CYS 32 H CYS 32 -0.476 2.456 2.456
259 HA CYS 32 HA CYS 32 0.877 0.420 0.420
260 1HB CYS 32 2HB CYS 32 0.992 1.028 1.028
261 2HB CYS 32 1HB CYS 32 2.552 0.947 0.947
262 H GLY 33 H GLY 33 1.226 3.470 3.470
263 1HA GLY 33 2HA GLY 33 1.976 5.434 5.434
264 2HA GLY 33 1HA GLY 33 3.104 4.363 4.363
265 H THR 34 H THR 34 2.289 4.942 4.942
266 HA THR 34 HA THR 34 5.182 5.119 5.119
267 HB THR 34 HB THR 34 3.806 5.352 5.352
268 HG1 THR 34 1HG THR 34 2.299 3.421 3.421
269 1HG2 THR 34 2HG2 THR 34 5.635 3.707 3.707
270 2HG2 THR 34 1HG2 THR 34 4.402 2.767 2.767
271 3HG2 THR 34 3HG2 THR 34 4.366 2.952 2.952
272 H CYS 35 HN CYS 35 2.221 7.083 7.083
273 HA CYS 35 HA CYS 35 3.950 9.435 9.435
274 1HB CYS 35 2HB CYS 35 1.892 10.146 10.146
275 2HB CYS 35 1HB CYS 35 2.864 8.926 8.926
Start of MODEL 11
1 1H ARG 1 1H ARG 1 0.716 14.308 14.308
2 2H ARG 1 3H ARG 1 1.312 15.226 15.226
3 3H ARG 1 2H ARG 1 2.048 15.308 15.308
4 HA ARG 1 HA ARG 1 0.703 16.932 16.932
5 1HB ARG 1 2HB ARG 1 0.677 17.676 17.676
6 2HB ARG 1 1HB ARG 1 -0.692 16.624 16.624
7 1HG ARG 1 2HG ARG 1 -2.060 17.914 17.914
8 2HG ARG 1 1HG ARG 1 -0.685 18.948 18.948
9 1HD ARG 1 2HD ARG 1 -0.702 19.721 19.721
10 2HD ARG 1 1HD ARG 1 -2.097 18.690 18.690
11 HE ARG 1 HE ARG 1 -2.139 20.942 20.942
12 1HH1 ARG 1 1HH1 ARG 1 -4.221 18.743 18.743
13 2HH1 ARG 1 2HH1 ARG 1 -5.468 19.574 19.574
14 1HH2 ARG 1 1HH2 ARG 1 -3.217 22.229 22.229
15 2HH2 ARG 1 2HH2 ARG 1 -4.845 21.726 21.726
16 H SER 2 H SER 2 -1.660 15.152 15.152
17 HA SER 2 HA SER 2 -3.059 14.233 14.233
18 1HB SER 2 2HB SER 2 -4.523 15.126 15.126
19 2HB SER 2 1HB SER 2 -5.187 14.919 14.919
20 HG SER 2 HG SER 2 -4.325 16.766 16.766
21 H CYS 3 H CYS 3 -3.056 11.941 11.941
22 HA CYS 3 HA CYS 3 -3.323 10.805 10.805
23 1HB CYS 3 2HB CYS 3 -1.496 9.149 9.149
24 2HB CYS 3 1HB CYS 3 -1.010 10.683 10.683
25 H ILE 4 H ILE 4 -4.363 8.919 8.919
26 HA ILE 4 HA ILE 4 -5.502 7.996 7.996
27 HB ILE 4 HB ILE 4 -7.722 7.831 7.831
28 1HG1 ILE 4 2HG1 ILE 4 -7.868 9.173 9.173
29 2HG1 ILE 4 1HG1 ILE 4 -6.239 8.579 8.579
30 1HG2 ILE 4 1HG2 ILE 4 -7.138 9.962 9.962
31 2HG2 ILE 4 3HG2 ILE 4 -6.481 10.587 10.587
32 3HG2 ILE 4 2HG2 ILE 4 -8.196 10.254 10.254
33 1HD1 ILE 4 3HD1 ILE 4 -7.106 6.201 6.201
34 2HD1 ILE 4 2HD1 ILE 4 -8.712 6.862 6.862
35 3HD1 ILE 4 1HD1 ILE 4 -7.877 6.966 6.966
36 H ASP 5 H ASP 5 -5.800 5.958 5.958
37 HA ASP 5 HA ASP 5 -4.360 4.013 4.013
38 1HB ASP 5 2HB ASP 5 -6.313 3.494 3.494
39 2HB ASP 5 1HB ASP 5 -4.786 2.722 2.722
40 H THR 6 H THR 6 -5.570 2.175 2.175
41 HA THR 6 HA THR 6 -8.525 2.431 2.431
42 HB THR 6 HB THR 6 -7.526 3.874 3.874
43 HG1 THR 6 1HG THR 6 -9.284 3.126 3.126
44 1HG2 THR 6 2HG2 THR 6 -6.405 1.216 1.216
45 2HG2 THR 6 1HG2 THR 6 -6.351 2.749 2.749
46 3HG2 THR 6 3HG2 THR 6 -5.421 2.534 2.534
47 H ILE 7 H ILE 7 -6.629 0.903 0.903
48 HA ILE 7 HA ILE 7 -7.035 -1.752 -1.752
49 HB ILE 7 HB ILE 7 -4.643 -0.701 -0.701
50 1HG1 ILE 7 2HG1 ILE 7 -3.567 -2.833 -2.833
51 2HG1 ILE 7 1HG1 ILE 7 -5.144 -3.453 -3.453
52 1HG2 ILE 7 3HG2 ILE 7 -4.921 0.091 0.091
53 2HG2 ILE 7 2HG2 ILE 7 -4.960 -1.589 -1.589
54 3HG2 ILE 7 1HG2 ILE 7 -3.529 -0.937 -0.937
55 1HD1 ILE 7 1HD1 ILE 7 -5.783 -3.125 -3.125
56 2HD1 ILE 7 3HD1 ILE 7 -4.142 -2.583 -2.583
57 3HD1 ILE 7 2HD1 ILE 7 -4.445 -4.235 -4.235
58 HA PRO 8 HA PRO 8 -8.404 -3.099 -3.099
59 1HB PRO 8 2HB PRO 8 -8.182 -5.743 -5.743
60 2HB PRO 8 1HB PRO 8 -9.490 -4.908 -4.908
61 1HG PRO 8 2HG PRO 8 -6.685 -5.541 -5.541
62 2HG PRO 8 1HG PRO 8 -8.242 -6.049 -6.049
63 1HD PRO 8 2HD PRO 8 -7.126 -3.819 -3.819
64 2HD PRO 8 1HD PRO 8 -8.864 -3.786 -3.786
65 H LYS 9 H LYS 9 -7.030 -2.581 -2.581
66 HA LYS 9 HA LYS 9 -4.230 -2.630 -2.630
67 1HB LYS 9 2HB LYS 9 -5.599 -1.561 -1.561
68 2HB LYS 9 1HB LYS 9 -6.066 -3.126 -3.126
69 1HG LYS 9 2HG LYS 9 -3.105 -2.680 -2.680
70 2HG LYS 9 1HG LYS 9 -3.920 -1.803 -1.803
71 1HD LYS 9 2HD LYS 9 -4.567 -3.832 -3.832
72 2HD LYS 9 1HD LYS 9 -4.327 -4.826 -4.826
73 1HE LYS 9 2HE LYS 9 -2.460 -5.120 -5.120
74 2HE LYS 9 1HE LYS 9 -1.892 -4.458 -4.458
75 1HZ LYS 9 3HZ LYS 9 -2.676 -2.318 -2.318
76 2HZ LYS 9 2HZ LYS 9 -1.635 -3.329 -3.329
77 3HZ LYS 9 1HZ LYS 9 -1.139 -2.685 -2.685
78 H SER 10 H SER 10 -6.517 -4.967 -4.967
79 HA SER 10 HA SER 10 -5.389 -7.137 -7.137
80 1HB SER 10 2HB SER 10 -7.036 -7.557 -7.557
81 2HB SER 10 1HB SER 10 -7.240 -8.315 -8.315
82 HG SER 10 HG SER 10 -8.636 -6.722 -6.722
83 H ARG 11 H ARG 11 -5.040 -6.073 -6.073
84 HA ARG 11 HA ARG 11 -3.240 -8.223 -8.223
85 1HB ARG 11 2HB ARG 11 -4.796 -6.549 -6.549
86 2HB ARG 11 1HB ARG 11 -3.356 -5.572 -5.572
87 1HG ARG 11 2HG ARG 11 -3.123 -6.924 -6.924
88 2HG ARG 11 1HG ARG 11 -1.989 -7.549 -7.549
89 1HD ARG 11 2HD ARG 11 -3.811 -9.268 -9.268
90 2HD ARG 11 1HD ARG 11 -4.729 -8.670 -8.670
91 HE ARG 11 HE ARG 11 -1.941 -9.844 -9.844
92 1HH1 ARG 11 1HH2 ARG 11 -2.594 -8.730 -8.730
93 2HH1 ARG 11 2HH2 ARG 11 -3.515 -9.884 -9.884
94 1HH2 ARG 11 2HH1 ARG 11 -4.157 -11.726 -11.726
95 2HH2 ARG 11 1HH1 ARG 11 -4.441 -11.762 -11.762
96 H CYS 12 H CYS 12 -3.088 -4.974 -4.974
97 HA CYS 12 HA CYS 12 -0.169 -4.755 -4.755
98 1HB CYS 12 2HB CYS 12 -2.097 -2.956 -2.956
99 2HB CYS 12 1HB CYS 12 -0.615 -2.490 -2.490
100 H THR 13 H THR 13 -0.720 -6.851 -6.851
101 HA THR 13 HA THR 13 -0.637 -6.455 -6.455
102 HB THR 13 HB THR 13 -1.917 -8.400 -8.400
103 HG1 THR 13 1HG THR 13 -0.061 -9.938 -9.938
104 1HG2 THR 13 2HG2 THR 13 0.757 -9.344 -9.344
105 2HG2 THR 13 1HG2 THR 13 -0.784 -10.198 -10.198
106 3HG2 THR 13 3HG2 THR 13 -0.588 -8.732 -8.732
107 H ALA 14 H ALA 14 1.264 -7.599 -7.599
108 HA ALA 14 HA ALA 14 3.594 -6.251 -6.251
109 1HB ALA 14 3HB ALA 14 3.463 -8.638 -8.638
110 2HB ALA 14 2HB ALA 14 4.869 -7.612 -7.612
111 3HB ALA 14 1HB ALA 14 3.405 -6.944 -6.944
112 H PHE 15 H PHE 15 2.216 -9.156 -9.156
113 HA PHE 15 HA PHE 15 4.612 -10.440 -10.440
114 1HB PHE 15 2HB PHE 15 1.971 -11.346 -11.346
115 2HB PHE 15 1HB PHE 15 3.261 -12.277 -12.277
116 HD1 PHE 15 1HD PHE 15 3.437 -10.960 -10.960
117 HD2 PHE 15 2HD PHE 15 0.060 -12.154 -12.154
118 HE1 PHE 15 1HE PHE 15 2.114 -11.201 -11.201
119 HE2 PHE 15 2HE PHE 15 -1.254 -12.391 -12.391
120 HZ PHE 15 HZ PHE 15 -0.239 -11.919 -11.919
121 H GLN 16 H GLN 16 2.654 -7.946 -7.946
122 HA GLN 16 HA GLN 16 3.709 -8.147 -8.147
123 1HB GLN 16 2HB GLN 16 1.052 -6.912 -6.912
124 2HB GLN 16 1HB GLN 16 1.622 -7.377 -7.377
125 1HG GLN 16 2HG GLN 16 1.566 -9.762 -9.762
126 2HG GLN 16 1HG GLN 16 0.023 -9.022 -9.022
127 1HE2 GLN 16 2HE2 GLN 16 1.879 -10.659 -10.659
128 2HE2 GLN 16 1HE2 GLN 16 2.766 -10.292 -10.292
129 H CYS 17 H CYS 17 2.302 -6.011 -6.011
130 HA CYS 17 HA CYS 17 2.629 -3.501 -3.501
131 1HB CYS 17 2HB CYS 17 1.798 -4.110 -4.110
132 2HB CYS 17 1HB CYS 17 3.412 -4.391 -4.391
133 H LYS 18 H LYS 18 5.173 -5.440 -5.440
134 HA LYS 18 HA LYS 18 7.165 -3.445 -3.445
135 1HB LYS 18 2HB LYS 18 7.351 -3.701 -3.701
136 2HB LYS 18 1HB LYS 18 7.371 -5.440 -5.440
137 1HG LYS 18 2HG LYS 18 9.599 -4.374 -4.374
138 2HG LYS 18 1HG LYS 18 9.609 -5.507 -5.507
139 1HD LYS 18 2HD LYS 18 9.316 -3.281 -3.281
140 2HD LYS 18 1HD LYS 18 9.742 -2.434 -2.434
141 1HE LYS 18 2HE LYS 18 11.708 -2.870 -2.870
142 2HE LYS 18 1HE LYS 18 11.911 -3.612 -3.612
143 1HZ LYS 18 1HZ LYS 18 10.531 -5.414 -5.414
144 2HZ LYS 18 3HZ LYS 18 11.877 -4.879 -4.879
145 3HZ LYS 18 2HZ LYS 18 12.085 -5.601 -5.601
146 H HIS 19 H HIS 19 5.867 -6.157 -6.157
147 HA HIS 19 HA HIS 19 8.306 -7.071 -7.071
148 1HB HIS 19 2HB HIS 19 6.233 -8.824 -8.824
149 2HB HIS 19 1HB HIS 19 7.319 -9.433 -9.433
150 HD1 HIS 19 1HD HIS 19 9.876 -9.258 -9.258
151 HD2 HIS 19 2HD HIS 19 7.433 -8.482 -8.482
152 HE1 HIS 19 1HE HIS 19 11.241 -9.376 -9.376
153 H SER 20 H SER 20 5.576 -5.579 -5.579
154 HA SER 20 HA SER 20 5.147 -6.215 -6.215
155 1HB SER 20 2HB SER 20 3.157 -6.870 -6.870
156 2HB SER 20 1HB SER 20 2.628 -6.528 -6.528
157 HG SER 20 HG SER 20 4.790 -8.280 -8.280
158 H MET 21 H MET 21 6.012 -3.932 -3.932
159 HA MET 21 HA MET 21 4.362 -1.836 -1.836
160 1HB MET 21 2HB MET 21 6.381 -1.837 -1.837
161 2HB MET 21 1HB MET 21 5.591 -0.389 -0.389
162 1HG MET 21 2HG MET 21 6.493 -1.329 -1.329
163 2HG MET 21 1HG MET 21 7.709 -1.956 -1.956
164 1HE MET 21 3HE MET 21 5.552 0.846 0.846
165 2HE MET 21 2HE MET 21 6.585 2.206 2.206
166 3HE MET 21 1HE MET 21 6.073 1.911 1.911
167 1HN DNP 22 HN DAP 22 3.782 -3.987 -3.987
168 HA DNP 22 HA DAP 22 2.259 -2.374 -2.374
169 1HB DNP 22 1HB DAP 22 2.590 -4.802 -4.802
170 2HB DNP 22 2HB DAP 22 0.883 -4.378 -4.378
171 1HG DNP 22 1HG DAP 22 0.582 -5.873 -5.873
172 2HG DNP 22 2HG DAP 22 1.618 -5.041 -5.041
173 3HG DNP 22 3HG DAP 22 2.219 -6.293 -6.293
174 H TYR 23 H TYR 23 1.830 -3.003 -3.003
175 HA TYR 23 HA TYR 23 -0.904 -1.897 -1.897
176 1HB TYR 23 2HB TYR 23 0.110 -3.567 -3.567
177 2HB TYR 23 1HB TYR 23 -1.549 -3.271 -3.271
178 HD1 TYR 23 1HD TYR 23 -2.118 -4.072 -4.072
179 HD2 TYR 23 2HD TYR 23 0.860 -5.746 -5.746
180 HE1 TYR 23 1HE TYR 23 -2.287 -6.195 -6.195
181 HE2 TYR 23 2HE TYR 23 0.711 -7.875 -7.875
182 HH TYR 23 HH TYR 23 -0.225 -8.960 -8.960
183 H ARG 24 H ARG 24 1.863 -2.315 -2.315
184 HA ARG 24 HA ARG 24 1.511 0.065 0.065
185 1HB ARG 24 2HB ARG 24 3.063 -2.191 -2.191
186 2HB ARG 24 1HB ARG 24 4.273 -1.053 -1.053
187 1HG ARG 24 2HG ARG 24 2.496 0.056 0.056
188 2HG ARG 24 1HG ARG 24 3.307 -1.393 -1.393
189 1HD ARG 24 2HD ARG 24 4.979 0.566 0.566
190 2HD ARG 24 1HD ARG 24 4.352 1.109 1.109
191 HE ARG 24 HE ARG 24 5.945 -1.368 -1.368
192 1HH1 ARG 24 1HH2 ARG 24 4.953 -1.689 -1.689
193 2HH1 ARG 24 2HH2 ARG 24 5.947 -0.753 -0.753
194 1HH2 ARG 24 2HH1 ARG 24 7.086 1.167 1.167
195 2HH2 ARG 24 1HH1 ARG 24 7.264 1.015 1.015
196 H LEU 25 H LEU 25 1.946 0.213 0.213
197 HA LEU 25 HA LEU 25 3.938 2.458 2.458
198 1HB LEU 25 2HB LEU 25 4.180 0.766 0.766
199 2HB LEU 25 1HB LEU 25 2.608 0.908 0.908
200 HG LEU 25 HG LEU 25 3.046 3.165 3.165
201 1HD1 LEU 25 3HD1 LEU 25 4.640 4.025 4.025
202 2HD1 LEU 25 2HD1 LEU 25 5.870 2.940 2.940
203 3HD1 LEU 25 1HD1 LEU 25 5.258 4.247 4.247
204 1HD2 LEU 25 3HD2 LEU 25 5.332 1.235 1.235
205 2HD2 LEU 25 2HD2 LEU 25 3.741 1.201 1.201
206 3HD2 LEU 25 1HD2 LEU 25 4.812 2.558 2.558
207 H SER 26 H SER 26 1.072 1.960 1.960
208 HA SER 26 HA SER 26 0.117 4.636 4.636
209 1HB SER 26 2HB SER 26 -0.017 3.218 3.218
210 2HB SER 26 1HB SER 26 -0.913 4.686 4.686
211 HG SER 26 HG SER 26 1.743 4.800 4.800
212 H PHE 27 H PHE 27 -0.458 1.583 1.583
213 HA PHE 27 HA PHE 27 -3.427 1.981 1.981
214 1HB PHE 27 2HB PHE 27 -2.178 -0.614 -0.614
215 2HB PHE 27 1HB PHE 27 -3.665 -0.279 -0.279
216 HD1 PHE 27 2HD PHE 27 0.054 0.238 0.238
217 HD2 PHE 27 1HD PHE 27 -3.757 -0.500 -0.500
218 HE1 PHE 27 2HE PHE 27 1.126 0.027 0.027
219 HE2 PHE 27 1HE PHE 27 -2.647 -0.723 -0.723
220 HZ PHE 27 HZ PHE 27 -0.192 -0.490 -0.490
221 H CYS 28 H CYS 28 -0.939 1.235 1.235
222 HA CYS 28 HA CYS 28 -3.097 1.584 1.584
223 1HB CYS 28 2HB CYS 28 -0.516 0.340 0.340
224 2HB CYS 28 1HB CYS 28 -2.140 -0.234 -0.234
225 H ARG 29 H ARG 29 -1.722 3.529 3.529
226 HA ARG 29 HA ARG 29 0.436 4.847 4.847
227 1HB ARG 29 2HB ARG 29 -2.360 5.692 5.692
228 2HB ARG 29 1HB ARG 29 -1.187 6.884 6.884
229 1HG ARG 29 2HG ARG 29 -0.003 6.679 6.679
230 2HG ARG 29 1HG ARG 29 -0.621 5.062 5.062
231 1HD ARG 29 2HD ARG 29 -2.661 5.774 5.774
232 2HD ARG 29 1HD ARG 29 -2.632 7.297 7.297
233 HE ARG 29 HE ARG 29 -0.995 8.110 8.110
234 1HH1 ARG 29 2HH1 ARG 29 -3.866 6.644 6.644
235 2HH1 ARG 29 1HH1 ARG 29 -3.689 6.157 6.157
236 1HH2 ARG 29 1HH2 ARG 29 -0.231 7.035 7.035
237 2HH2 ARG 29 2HH2 ARG 29 -1.503 6.523 6.523
238 H LYS 30 H LYS 30 -2.466 5.105 5.105
239 HA LYS 30 HA LYS 30 -0.781 6.179 6.179
240 1HB LYS 30 2HB LYS 30 -3.789 5.703 5.703
241 2HB LYS 30 1HB LYS 30 -2.860 6.689 6.689
242 1HG LYS 30 2HG LYS 30 -2.843 7.257 7.257
243 2HG LYS 30 1HG LYS 30 -4.164 7.781 7.781
244 1HD LYS 30 2HD LYS 30 -2.234 8.933 8.933
245 2HD LYS 30 1HD LYS 30 -1.147 8.386 8.386
246 1HE LYS 30 2HE LYS 30 -1.920 10.768 10.768
247 2HE LYS 30 1HE LYS 30 -2.174 9.727 9.727
248 1HZ LYS 30 2HZ LYS 30 -4.435 9.509 9.509
249 2HZ LYS 30 1HZ LYS 30 -4.124 11.159 11.159
250 3HZ LYS 30 3HZ LYS 30 -4.290 10.103 10.103
251 H THR 31 H THR 31 -3.047 3.740 3.740
252 HA THR 31 HA THR 31 -3.359 2.137 2.137
253 HB THR 31 HB THR 31 -2.843 1.433 1.433
254 HG1 THR 31 1HG THR 31 -4.818 2.388 2.388
255 1HG2 THR 31 1HG2 THR 31 -3.838 -0.391 -0.391
256 2HG2 THR 31 3HG2 THR 31 -3.744 -0.743 -0.743
257 3HG2 THR 31 2HG2 THR 31 -2.272 -0.611 -0.611
258 H CYS 32 H CYS 32 -0.432 2.408 2.408
259 HA CYS 32 HA CYS 32 0.961 0.672 0.672
260 1HB CYS 32 2HB CYS 32 1.358 1.177 1.177
261 2HB CYS 32 1HB CYS 32 2.745 0.757 0.757
262 H GLY 33 H GLY 33 1.254 3.470 3.470
263 1HA GLY 33 2HA GLY 33 1.763 5.674 5.674
264 2HA GLY 33 1HA GLY 33 2.868 4.815 4.815
265 H THR 34 H THR 34 2.311 4.735 4.735
266 HA THR 34 HA THR 34 5.164 5.484 5.484
267 HB THR 34 HB THR 34 4.380 3.957 3.957
268 HG1 THR 34 1HG THR 34 3.172 2.426 2.426
269 1HG2 THR 34 3HG2 THR 34 6.541 3.864 3.864
270 2HG2 THR 34 2HG2 THR 34 5.630 2.977 2.977
271 3HG2 THR 34 1HG2 THR 34 5.941 2.281 2.281
272 H CYS 35 HN CYS 35 2.466 7.075 7.075
273 HA CYS 35 HA CYS 35 3.141 8.501 8.501
274 1HB CYS 35 2HB CYS 35 1.056 8.396 8.396
275 2HB CYS 35 1HB CYS 35 0.940 7.034 7.034
Start of MODEL 12
1 1H ARG 1 2H ARG 1 0.688 15.449 15.449
2 2H ARG 1 1H ARG 1 1.594 15.863 15.863
3 3H ARG 1 3H ARG 1 1.054 17.080 17.080
4 HA ARG 1 HA ARG 1 -0.891 17.252 17.252
5 1HB ARG 1 2HB ARG 1 0.609 16.600 16.600
6 2HB ARG 1 1HB ARG 1 0.189 14.925 14.925
7 1HG ARG 1 2HG ARG 1 -2.019 15.169 15.169
8 2HG ARG 1 1HG ARG 1 -2.044 16.914 16.914
9 1HD ARG 1 2HD ARG 1 -0.261 15.494 15.494
10 2HD ARG 1 1HD ARG 1 -1.894 16.024 16.024
11 HE ARG 1 HE ARG 1 -1.125 18.382 18.382
12 1HH1 ARG 1 1HH2 ARG 1 1.351 18.457 18.457
13 2HH1 ARG 1 2HH2 ARG 1 2.489 18.498 18.498
14 1HH2 ARG 1 1HH1 ARG 1 0.048 17.256 17.256
15 2HH2 ARG 1 2HH1 ARG 1 1.692 17.748 17.748
16 H SER 2 H SER 2 -2.847 15.377 15.377
17 HA SER 2 HA SER 2 -3.316 14.020 14.020
18 1HB SER 2 2HB SER 2 -5.286 14.966 14.966
19 2HB SER 2 1HB SER 2 -4.912 13.768 13.768
20 HG SER 2 HG SER 2 -6.305 13.338 13.338
21 H CYS 3 H CYS 3 -3.886 11.936 11.936
22 HA CYS 3 HA CYS 3 -2.540 9.992 9.992
23 1HB CYS 3 2HB CYS 3 -2.169 10.595 10.595
24 2HB CYS 3 1HB CYS 3 -1.924 8.949 8.949
25 H ILE 4 H ILE 4 -4.134 8.378 8.378
26 HA ILE 4 HA ILE 4 -5.952 7.813 7.813
27 HB ILE 4 HB ILE 4 -7.904 7.883 7.883
28 1HG1 ILE 4 2HG1 ILE 4 -7.263 9.167 9.167
29 2HG1 ILE 4 1HG1 ILE 4 -5.819 8.211 8.211
30 1HG2 ILE 4 2HG2 ILE 4 -7.327 9.992 9.992
31 2HG2 ILE 4 1HG2 ILE 4 -6.306 10.478 10.478
32 3HG2 ILE 4 3HG2 ILE 4 -8.032 10.311 10.311
33 1HD1 ILE 4 2HD1 ILE 4 -8.634 7.058 7.058
34 2HD1 ILE 4 1HD1 ILE 4 -7.502 6.954 6.954
35 3HD1 ILE 4 3HD1 ILE 4 -7.154 6.134 6.134
36 H ASP 5 H ASP 5 -6.482 5.588 5.588
37 HA ASP 5 HA ASP 5 -4.805 3.905 3.905
38 1HB ASP 5 2HB ASP 5 -6.830 3.094 3.094
39 2HB ASP 5 1HB ASP 5 -5.508 2.121 2.121
40 H THR 6 H THR 6 -5.853 2.151 2.151
41 HA THR 6 HA THR 6 -8.758 2.365 2.365
42 HB THR 6 HB THR 6 -7.457 4.003 4.003
43 HG1 THR 6 1HG THR 6 -9.185 3.444 3.444
44 1HG2 THR 6 3HG2 THR 6 -5.428 2.506 2.506
45 2HG2 THR 6 2HG2 THR 6 -6.451 1.393 1.393
46 3HG2 THR 6 1HG2 THR 6 -6.158 3.007 3.007
47 H ILE 7 H ILE 7 -6.920 0.736 0.736
48 HA ILE 7 HA ILE 7 -7.257 -1.855 -1.855
49 HB ILE 7 HB ILE 7 -4.910 -0.736 -0.736
50 1HG1 ILE 7 2HG1 ILE 7 -3.648 -2.715 -2.715
51 2HG1 ILE 7 1HG1 ILE 7 -5.116 -3.444 -3.444
52 1HG2 ILE 7 1HG2 ILE 7 -5.130 0.174 0.174
53 2HG2 ILE 7 3HG2 ILE 7 -5.111 -1.464 -1.464
54 3HG2 ILE 7 2HG2 ILE 7 -3.710 -0.818 -0.818
55 1HD1 ILE 7 3HD1 ILE 7 -4.491 -2.617 -2.617
56 2HD1 ILE 7 2HD1 ILE 7 -4.536 -4.270 -4.270
57 3HD1 ILE 7 1HD1 ILE 7 -6.010 -3.325 -3.325
58 HA PRO 8 HA PRO 8 -8.405 -2.886 -2.886
59 1HB PRO 8 2HB PRO 8 -8.691 -5.496 -5.496
60 2HB PRO 8 1HB PRO 8 -9.763 -4.563 -4.563
61 1HG PRO 8 2HG PRO 8 -7.068 -5.774 -5.774
62 2HG PRO 8 1HG PRO 8 -8.655 -6.087 -6.087
63 1HD PRO 8 2HD PRO 8 -7.091 -4.107 -4.107
64 2HD PRO 8 1HD PRO 8 -8.847 -3.884 -3.884
65 H LYS 9 H LYS 9 -7.048 -2.657 -2.657
66 HA LYS 9 HA LYS 9 -4.271 -2.687 -2.687
67 1HB LYS 9 2HB LYS 9 -4.192 -2.795 -2.795
68 2HB LYS 9 1HB LYS 9 -5.565 -1.790 -1.790
69 1HG LYS 9 2HG LYS 9 -7.021 -2.994 -2.994
70 2HG LYS 9 1HG LYS 9 -6.509 -4.529 -4.529
71 1HD LYS 9 2HD LYS 9 -4.787 -3.040 -3.040
72 2HD LYS 9 1HD LYS 9 -6.158 -3.946 -3.946
73 1HE LYS 9 2HE LYS 9 -4.017 -5.241 -5.241
74 2HE LYS 9 1HE LYS 9 -3.812 -5.163 -5.163
75 1HZ LYS 9 3HZ LYS 9 -6.427 -6.103 -6.103
76 2HZ LYS 9 2HZ LYS 9 -5.344 -6.992 -6.992
77 3HZ LYS 9 1HZ LYS 9 -5.127 -6.909 -6.909
78 H SER 10 H SER 10 -6.428 -5.124 -5.124
79 HA SER 10 HA SER 10 -4.899 -7.307 -7.307
80 1HB SER 10 2HB SER 10 -6.573 -8.710 -8.710
81 2HB SER 10 1HB SER 10 -7.309 -7.663 -7.663
82 HG SER 10 HG SER 10 -7.455 -7.423 -7.423
83 H ARG 11 H ARG 11 -5.102 -6.012 -6.012
84 HA ARG 11 HA ARG 11 -3.384 -8.100 -8.100
85 1HB ARG 11 2HB ARG 11 -5.245 -6.515 -6.515
86 2HB ARG 11 1HB ARG 11 -3.897 -5.409 -5.409
87 1HG ARG 11 2HG ARG 11 -3.963 -6.661 -6.661
88 2HG ARG 11 1HG ARG 11 -2.544 -7.076 -7.076
89 1HD ARG 11 2HD ARG 11 -3.664 -9.144 -9.144
90 2HD ARG 11 1HD ARG 11 -5.086 -8.743 -8.743
91 HE ARG 11 HE ARG 11 -2.355 -9.117 -9.117
92 1HH1 ARG 11 1HH2 ARG 11 -4.475 -8.392 -8.392
93 2HH1 ARG 11 2HH2 ARG 11 -5.093 -9.855 -9.855
94 1HH2 ARG 11 2HH1 ARG 11 -3.575 -11.684 -11.684
95 2HH2 ARG 11 1HH1 ARG 11 -4.543 -11.910 -11.910
96 H CYS 12 H CYS 12 -3.137 -5.086 -5.086
97 HA CYS 12 HA CYS 12 -0.247 -4.711 -4.711
98 1HB CYS 12 2HB CYS 12 -2.199 -2.921 -2.921
99 2HB CYS 12 1HB CYS 12 -0.739 -2.464 -2.464
100 H THR 13 H THR 13 -1.441 -6.785 -6.785
101 HA THR 13 HA THR 13 -1.403 -6.221 -6.221
102 HB THR 13 HB THR 13 -2.373 -8.360 -8.360
103 HG1 THR 13 1HG THR 13 -0.518 -9.771 -9.771
104 1HG2 THR 13 2HG2 THR 13 0.409 -9.025 -9.025
105 2HG2 THR 13 1HG2 THR 13 -0.998 -10.093 -10.093
106 3HG2 THR 13 3HG2 THR 13 -1.011 -8.635 -8.635
107 H ALA 14 H ALA 14 0.345 -7.069 -7.069
108 HA ALA 14 HA ALA 14 2.744 -5.623 -5.623
109 1HB ALA 14 1HB ALA 14 2.086 -6.482 -6.482
110 2HB ALA 14 3HB ALA 14 2.404 -8.128 -8.128
111 3HB ALA 14 2HB ALA 14 3.721 -6.970 -6.970
112 H PHE 15 H PHE 15 1.687 -8.632 -8.632
113 HA PHE 15 HA PHE 15 4.221 -9.805 -9.805
114 1HB PHE 15 2HB PHE 15 1.738 -10.596 -10.596
115 2HB PHE 15 1HB PHE 15 2.984 -11.584 -11.584
116 HD1 PHE 15 2HD PHE 15 2.608 -10.147 -10.147
117 HD2 PHE 15 1HD PHE 15 0.015 -12.073 -12.073
118 HE1 PHE 15 2HE PHE 15 1.079 -10.724 -10.724
119 HE2 PHE 15 1HE PHE 15 -1.503 -12.647 -12.647
120 HZ PHE 15 HZ PHE 15 -0.981 -11.973 -11.973
121 H GLN 16 H GLN 16 1.970 -7.684 -7.684
122 HA GLN 16 HA GLN 16 3.705 -7.833 -7.833
123 1HB GLN 16 2HB GLN 16 0.874 -6.715 -6.715
124 2HB GLN 16 1HB GLN 16 1.657 -7.196 -7.196
125 1HG GLN 16 2HG GLN 16 1.848 -9.467 -9.467
126 2HG GLN 16 1HG GLN 16 0.235 -8.826 -8.826
127 1HE2 GLN 16 2HE2 GLN 16 1.471 -10.612 -10.612
128 2HE2 GLN 16 1HE2 GLN 16 2.635 -10.163 -10.163
129 H CYS 17 H CYS 17 2.530 -5.859 -5.859
130 HA CYS 17 HA CYS 17 2.984 -3.190 -3.190
131 1HB CYS 17 2HB CYS 17 2.005 -4.035 -4.035
132 2HB CYS 17 1HB CYS 17 3.616 -4.235 -4.235
133 H LYS 18 H LYS 18 5.148 -5.607 -5.607
134 HA LYS 18 HA LYS 18 7.445 -3.695 -3.695
135 1HB LYS 18 2HB LYS 18 7.144 -4.554 -4.554
136 2HB LYS 18 1HB LYS 18 7.370 -6.193 -6.193
137 1HG LYS 18 2HG LYS 18 9.664 -5.976 -5.976
138 2HG LYS 18 1HG LYS 18 9.573 -4.320 -4.320
139 1HD LYS 18 2HD LYS 18 10.617 -4.406 -4.406
140 2HD LYS 18 1HD LYS 18 9.100 -3.524 -3.524
141 1HE LYS 18 2HE LYS 18 8.013 -5.775 -5.775
142 2HE LYS 18 1HE LYS 18 9.654 -6.367 -6.367
143 1HZ LYS 18 1HZ LYS 18 9.448 -3.829 -3.829
144 2HZ LYS 18 3HZ LYS 18 8.156 -4.777 -4.777
145 3HZ LYS 18 2HZ LYS 18 9.751 -5.323 -5.323
146 H HIS 19 H HIS 19 5.840 -5.768 -5.768
147 HA HIS 19 HA HIS 19 8.233 -6.724 -6.724
148 1HB HIS 19 2HB HIS 19 5.923 -8.499 -8.499
149 2HB HIS 19 1HB HIS 19 7.083 -8.947 -8.947
150 HD1 HIS 19 1HD HIS 19 9.635 -8.716 -8.716
151 HD2 HIS 19 2HD HIS 19 6.790 -9.090 -9.090
152 HE1 HIS 19 1HE HIS 19 10.754 -9.461 -9.461
153 H SER 20 H SER 20 4.712 -6.466 -6.466
154 HA SER 20 HA SER 20 4.789 -6.555 -6.555
155 1HB SER 20 2HB SER 20 2.468 -5.999 -5.999
156 2HB SER 20 1HB SER 20 2.389 -6.623 -6.623
157 HG SER 20 HG SER 20 2.445 -8.479 -8.479
158 H MET 21 H MET 21 6.025 -4.547 -4.547
159 HA MET 21 HA MET 21 4.984 -1.941 -1.941
160 1HB MET 21 2HB MET 21 6.782 -2.908 -2.908
161 2HB MET 21 1HB MET 21 6.183 -1.264 -1.264
162 1HG MET 21 2HG MET 21 7.148 -1.726 -1.726
163 2HG MET 21 1HG MET 21 8.326 -2.390 -2.390
164 1HE MET 21 1HE MET 21 5.841 0.290 0.290
165 2HE MET 21 3HE MET 21 6.727 1.626 1.626
166 3HE MET 21 2HE MET 21 6.535 1.484 1.484
167 1HN DNP 22 HN DAP 22 3.667 -4.162 -4.162
168 HA DNP 22 HA DAP 22 2.429 -2.136 -2.136
169 1HB DNP 22 1HB DAP 22 0.738 -3.760 -3.760
170 2HB DNP 22 2HB DAP 22 1.021 -4.676 -4.676
171 1HG DNP 22 1HG DAP 22 2.602 -5.835 -5.835
172 2HG DNP 22 2HG DAP 22 3.475 -4.399 -4.399
173 3HG DNP 22 3HG DAP 22 2.343 -4.907 -4.907
174 H TYR 23 H TYR 23 1.378 -3.618 -3.618
175 HA TYR 23 HA TYR 23 -0.818 -1.686 -1.686
176 1HB TYR 23 2HB TYR 23 -0.050 -3.378 -3.378
177 2HB TYR 23 1HB TYR 23 -1.624 -2.955 -2.955
178 HD1 TYR 23 2HD TYR 23 -2.029 -3.947 -3.947
179 HD2 TYR 23 1HD TYR 23 0.375 -5.671 -5.671
180 HE1 TYR 23 2HE TYR 23 -2.298 -6.150 -6.150
181 HE2 TYR 23 1HE TYR 23 0.115 -7.848 -7.848
182 HH TYR 23 HH TYR 23 -0.732 -8.439 -8.439
183 H ARG 24 H ARG 24 2.186 -2.337 -2.337
184 HA ARG 24 HA ARG 24 2.312 -0.085 -0.085
185 1HB ARG 24 2HB ARG 24 3.622 -2.580 -2.580
186 2HB ARG 24 1HB ARG 24 4.876 -1.399 -1.399
187 1HG ARG 24 2HG ARG 24 2.859 -1.632 -1.632
188 2HG ARG 24 1HG ARG 24 4.416 -2.429 -2.429
189 1HD ARG 24 2HD ARG 24 3.786 0.515 0.515
190 2HD ARG 24 1HD ARG 24 4.895 -0.480 -0.480
191 HE ARG 24 HE ARG 24 5.466 0.514 0.514
192 1HH1 ARG 24 2HH1 ARG 24 6.436 -1.691 -1.691
193 2HH1 ARG 24 1HH1 ARG 24 8.051 -1.186 -1.186
194 1HH2 ARG 24 1HH2 ARG 24 7.292 1.964 1.964
195 2HH2 ARG 24 2HH2 ARG 24 8.567 1.134 1.134
196 H LEU 25 H LEU 25 2.007 0.433 0.433
197 HA LEU 25 HA LEU 25 4.337 2.243 2.243
198 1HB LEU 25 2HB LEU 25 4.076 0.779 0.779
199 2HB LEU 25 1HB LEU 25 2.393 0.722 0.722
200 HG LEU 25 HG LEU 25 2.467 3.107 3.107
201 1HD1 LEU 25 1HD1 LEU 25 5.491 2.649 2.649
202 2HD1 LEU 25 3HD1 LEU 25 4.659 3.999 3.999
203 3HD1 LEU 25 2HD1 LEU 25 4.646 3.826 3.826
204 1HD2 LEU 25 1HD2 LEU 25 4.207 1.017 1.017
205 2HD2 LEU 25 3HD2 LEU 25 2.456 1.096 1.096
206 3HD2 LEU 25 2HD2 LEU 25 3.426 2.373 2.373
207 H SER 26 H SER 26 1.012 2.154 2.154
208 HA SER 26 HA SER 26 0.531 4.701 4.701
209 1HB SER 26 2HB SER 26 1.326 5.230 5.230
210 2HB SER 26 1HB SER 26 -0.122 4.383 4.383
211 HG SER 26 HG SER 26 0.009 6.852 6.852
212 H PHE 27 H PHE 27 -0.284 1.696 1.696
213 HA PHE 27 HA PHE 27 -3.234 2.237 2.237
214 1HB PHE 27 2HB PHE 27 -2.078 -0.410 -0.410
215 2HB PHE 27 1HB PHE 27 -3.660 -0.058 -0.058
216 HD1 PHE 27 1HD PHE 27 -1.368 1.769 1.769
217 HD2 PHE 27 2HD PHE 27 -2.948 -2.121 -2.121
218 HE1 PHE 27 1HE PHE 27 -0.769 1.076 1.076
219 HE2 PHE 27 2HE PHE 27 -2.343 -2.797 -2.797
220 HZ PHE 27 HZ PHE 27 -1.253 -1.207 -1.207
221 H CYS 28 H CYS 28 -1.010 1.218 1.218
222 HA CYS 28 HA CYS 28 -3.220 1.674 1.674
223 1HB CYS 28 2HB CYS 28 -0.692 0.390 0.390
224 2HB CYS 28 1HB CYS 28 -2.341 -0.179 -0.179
225 H ARG 29 H ARG 29 -2.268 3.769 3.769
226 HA ARG 29 HA ARG 29 -0.079 5.259 5.259
227 1HB ARG 29 2HB ARG 29 -2.909 5.837 5.837
228 2HB ARG 29 1HB ARG 29 -1.984 6.946 6.946
229 1HG ARG 29 2HG ARG 29 -2.161 8.083 8.083
230 2HG ARG 29 1HG ARG 29 -0.538 7.456 7.456
231 1HD ARG 29 2HD ARG 29 -0.929 5.925 5.925
232 2HD ARG 29 1HD ARG 29 -2.666 5.886 5.886
233 HE ARG 29 HE ARG 29 -1.286 8.344 8.344
234 1HH1 ARG 29 1HH2 ARG 29 -3.727 9.274 9.274
235 2HH1 ARG 29 2HH2 ARG 29 -4.660 8.429 8.429
236 1HH2 ARG 29 2HH1 ARG 29 -2.237 5.834 5.834
237 2HH2 ARG 29 1HH1 ARG 29 -3.752 6.278 6.278
238 H LYS 30 H LYS 30 -2.551 5.192 5.192
239 HA LYS 30 HA LYS 30 -0.748 6.087 6.087
240 1HB LYS 30 2HB LYS 30 -3.790 5.747 5.747
241 2HB LYS 30 1HB LYS 30 -2.984 6.310 6.310
242 1HG LYS 30 2HG LYS 30 -2.459 7.652 7.652
243 2HG LYS 30 1HG LYS 30 -3.916 8.055 8.055
244 1HD LYS 30 2HD LYS 30 -2.588 8.646 8.646
245 2HD LYS 30 1HD LYS 30 -1.102 8.122 8.122
246 1HE LYS 30 2HE LYS 30 -1.176 9.945 9.945
247 2HE LYS 30 1HE LYS 30 -2.781 10.464 10.464
248 1HZ LYS 30 3HZ LYS 30 -1.057 10.224 10.224
249 2HZ LYS 30 2HZ LYS 30 -0.293 11.171 11.171
250 3HZ LYS 30 1HZ LYS 30 -1.823 11.622 11.622
251 H THR 31 H THR 31 -3.154 3.697 3.697
252 HA THR 31 HA THR 31 -3.143 2.047 2.047
253 HB THR 31 HB THR 31 -3.186 1.374 1.374
254 HG1 THR 31 1HG THR 31 -4.987 2.418 2.418
255 1HG2 THR 31 1HG2 THR 31 -3.859 -0.455 -0.455
256 2HG2 THR 31 3HG2 THR 31 -4.071 -0.757 -0.757
257 3HG2 THR 31 2HG2 THR 31 -2.452 -0.716 -0.716
258 H CYS 32 H CYS 32 -0.421 2.227 2.227
259 HA CYS 32 HA CYS 32 1.039 0.502 0.502
260 1HB CYS 32 2HB CYS 32 0.754 -0.659 -0.659
261 2HB CYS 32 1HB CYS 32 1.510 0.693 0.693
262 H GLY 33 H GLY 33 1.137 3.183 3.183
263 1HA GLY 33 2HA GLY 33 2.241 5.295 5.295
264 2HA GLY 33 1HA GLY 33 3.431 4.313 4.313
265 H THR 34 H THR 34 2.053 4.529 4.529
266 HA THR 34 HA THR 34 4.700 3.887 3.887
267 HB THR 34 HB THR 34 3.447 3.318 3.318
268 HG1 THR 34 1HG THR 34 2.040 4.750 4.750
269 1HG2 THR 34 2HG2 THR 34 2.752 1.816 1.816
270 2HG2 THR 34 1HG2 THR 34 1.407 2.893 2.893
271 3HG2 THR 34 3HG2 THR 34 1.499 1.969 1.969
272 H CYS 35 HN CYS 35 2.299 6.508 6.508
273 HA CYS 35 HA CYS 35 4.037 8.241 8.241
274 1HB CYS 35 2HB CYS 35 2.022 9.588 9.588
275 2HB CYS 35 1HB CYS 35 1.638 7.965 7.965
Start of MODEL 13
1 1H ARG 1 2H ARG 1 -3.623 16.752 16.752
2 2H ARG 1 1H ARG 1 -3.098 18.342 18.342
3 3H ARG 1 3H ARG 1 -2.283 17.036 17.036
4 HA ARG 1 HA ARG 1 -0.932 16.823 16.823
5 1HB ARG 1 2HB ARG 1 -2.705 19.005 19.005
6 2HB ARG 1 1HB ARG 1 -1.128 18.528 18.528
7 1HG ARG 1 2HG ARG 1 -0.048 19.350 19.350
8 2HG ARG 1 1HG ARG 1 -1.602 19.777 19.777
9 1HD ARG 1 2HD ARG 1 -2.005 21.407 21.407
10 2HD ARG 1 1HD ARG 1 -0.463 20.977 20.977
11 HE ARG 1 HE ARG 1 -0.670 22.175 22.175
12 1HH1 ARG 1 1HH1 ARG 1 1.905 21.129 21.129
13 2HH1 ARG 1 2HH1 ARG 1 2.740 22.476 22.476
14 1HH2 ARG 1 1HH2 ARG 1 -0.351 24.220 24.220
15 2HH2 ARG 1 2HH2 ARG 1 1.338 24.397 24.397
16 H SER 2 H SER 2 -2.498 14.884 14.884
17 HA SER 2 HA SER 2 -3.457 14.163 14.163
18 1HB SER 2 2HB SER 2 -5.634 13.421 13.421
19 2HB SER 2 1HB SER 2 -5.586 14.915 14.915
20 HG SER 2 HG SER 2 -5.645 14.694 14.694
21 H CYS 3 H CYS 3 -3.809 11.926 11.926
22 HA CYS 3 HA CYS 3 -2.547 10.244 10.244
23 1HB CYS 3 2HB CYS 3 -1.751 10.731 10.731
24 2HB CYS 3 1HB CYS 3 -1.769 9.037 9.037
25 H ILE 4 H ILE 4 -4.399 9.130 9.130
26 HA ILE 4 HA ILE 4 -6.049 7.904 7.904
27 HB ILE 4 HB ILE 4 -7.967 8.050 8.050
28 1HG1 ILE 4 2HG1 ILE 4 -7.540 9.452 9.452
29 2HG1 ILE 4 1HG1 ILE 4 -5.947 8.737 8.737
30 1HG2 ILE 4 1HG2 ILE 4 -7.521 10.106 10.106
31 2HG2 ILE 4 3HG2 ILE 4 -6.494 10.717 10.717
32 3HG2 ILE 4 2HG2 ILE 4 -8.218 10.492 10.492
33 1HD1 ILE 4 1HD1 ILE 4 -7.002 6.438 6.438
34 2HD1 ILE 4 3HD1 ILE 4 -8.577 7.183 7.183
35 3HD1 ILE 4 2HD1 ILE 4 -7.451 7.309 7.309
36 H ASP 5 H ASP 5 -6.275 5.802 5.802
37 HA ASP 5 HA ASP 5 -4.611 4.170 4.170
38 1HB ASP 5 2HB ASP 5 -6.645 3.474 3.474
39 2HB ASP 5 1HB ASP 5 -5.326 2.479 2.479
40 H THR 6 H THR 6 -5.564 2.311 2.311
41 HA THR 6 HA THR 6 -8.378 2.553 2.553
42 HB THR 6 HB THR 6 -7.473 2.026 2.026
43 HG1 THR 6 1HG THR 6 -5.524 1.242 1.242
44 1HG2 THR 6 1HG2 THR 6 -7.600 4.527 4.527
45 2HG2 THR 6 3HG2 THR 6 -5.936 4.373 4.373
46 3HG2 THR 6 2HG2 THR 6 -6.330 4.217 4.217
47 H ILE 7 H ILE 7 -6.689 0.928 0.928
48 HA ILE 7 HA ILE 7 -7.459 -1.730 -1.730
49 HB ILE 7 HB ILE 7 -5.056 -1.180 -1.180
50 1HG1 ILE 7 2HG1 ILE 7 -3.997 -3.021 -3.021
51 2HG1 ILE 7 1HG1 ILE 7 -5.541 -3.351 -3.351
52 1HG2 ILE 7 1HG2 ILE 7 -4.895 0.272 0.272
53 2HG2 ILE 7 3HG2 ILE 7 -5.016 -1.172 -1.172
54 3HG2 ILE 7 2HG2 ILE 7 -3.647 -0.939 -0.939
55 1HD1 ILE 7 3HD1 ILE 7 -6.496 -3.688 -3.688
56 2HD1 ILE 7 2HD1 ILE 7 -4.884 -3.419 -3.419
57 3HD1 ILE 7 1HD1 ILE 7 -5.222 -4.823 -4.823
58 HA PRO 8 HA PRO 8 -8.645 -3.001 -3.001
59 1HB PRO 8 2HB PRO 8 -8.275 -5.655 -5.655
60 2HB PRO 8 1HB PRO 8 -9.751 -4.855 -4.855
61 1HG PRO 8 2HG PRO 8 -7.126 -5.226 -5.226
62 2HG PRO 8 1HG PRO 8 -8.719 -5.874 -5.874
63 1HD PRO 8 2HD PRO 8 -8.169 -3.555 -3.555
64 2HD PRO 8 1HD PRO 8 -9.664 -3.592 -3.592
65 H LYS 9 H LYS 9 -7.228 -2.471 -2.471
66 HA LYS 9 HA LYS 9 -4.460 -2.521 -2.521
67 1HB LYS 9 2HB LYS 9 -5.851 -1.579 -1.579
68 2HB LYS 9 1HB LYS 9 -6.159 -3.194 -3.194
69 1HG LYS 9 2HG LYS 9 -3.271 -2.412 -2.412
70 2HG LYS 9 1HG LYS 9 -4.169 -1.770 -1.770
71 1HD LYS 9 2HD LYS 9 -4.510 -3.978 -3.978
72 2HD LYS 9 1HD LYS 9 -4.052 -4.760 -4.760
73 1HE LYS 9 2HE LYS 9 -2.163 -4.831 -4.831
74 2HE LYS 9 1HE LYS 9 -1.719 -3.957 -3.957
75 1HZ LYS 9 2HZ LYS 9 -2.902 -2.153 -2.153
76 2HZ LYS 9 1HZ LYS 9 -1.643 -2.987 -2.987
77 3HZ LYS 9 3HZ LYS 9 -1.356 -2.114 -2.114
78 H SER 10 H SER 10 -6.671 -4.963 -4.963
79 HA SER 10 HA SER 10 -5.239 -7.087 -7.087
80 1HB SER 10 2HB SER 10 -7.780 -6.951 -6.951
81 2HB SER 10 1HB SER 10 -7.119 -7.598 -7.598
82 HG SER 10 HG SER 10 -7.670 -8.955 -8.955
83 H ARG 11 H ARG 11 -5.216 -5.953 -5.953
84 HA ARG 11 HA ARG 11 -3.374 -8.049 -8.049
85 1HB ARG 11 2HB ARG 11 -5.113 -6.472 -6.472
86 2HB ARG 11 1HB ARG 11 -3.724 -5.427 -5.427
87 1HG ARG 11 2HG ARG 11 -3.601 -6.832 -6.832
88 2HG ARG 11 1HG ARG 11 -2.288 -7.237 -7.237
89 1HD ARG 11 2HD ARG 11 -3.850 -9.143 -9.143
90 2HD ARG 11 1HD ARG 11 -4.879 -8.757 -8.757
91 HE ARG 11 HE ARG 11 -1.962 -9.569 -9.569
92 1HH1 ARG 11 1HH2 ARG 11 -2.378 -8.991 -8.991
93 2HH1 ARG 11 2HH2 ARG 11 -3.293 -10.244 -10.244
94 1HH2 ARG 11 2HH1 ARG 11 -4.298 -11.530 -11.530
95 2HH2 ARG 11 1HH1 ARG 11 -4.466 -11.804 -11.804
96 H CYS 12 H CYS 12 -3.236 -5.044 -5.044
97 HA CYS 12 HA CYS 12 -0.341 -4.626 -4.626
98 1HB CYS 12 2HB CYS 12 -2.348 -2.945 -2.945
99 2HB CYS 12 1HB CYS 12 -0.875 -2.418 -2.418
100 H THR 13 H THR 13 -1.317 -6.789 -6.789
101 HA THR 13 HA THR 13 -1.247 -6.413 -6.413
102 HB THR 13 HB THR 13 -2.274 -8.491 -8.491
103 HG1 THR 13 1HG THR 13 -1.125 -9.874 -9.874
104 1HG2 THR 13 3HG2 THR 13 0.405 -9.091 -9.091
105 2HG2 THR 13 2HG2 THR 13 -0.966 -10.194 -10.194
106 3HG2 THR 13 1HG2 THR 13 -1.102 -8.714 -8.714
107 H ALA 14 H ALA 14 0.443 -7.156 -7.156
108 HA ALA 14 HA ALA 14 2.820 -5.731 -5.731
109 1HB ALA 14 3HB ALA 14 2.446 -8.456 -8.456
110 2HB ALA 14 2HB ALA 14 3.745 -7.322 -7.322
111 3HB ALA 14 1HB ALA 14 2.095 -6.901 -6.901
112 H PHE 15 H PHE 15 1.964 -8.776 -8.776
113 HA PHE 15 HA PHE 15 4.492 -9.765 -9.765
114 1HB PHE 15 2HB PHE 15 1.923 -10.401 -10.401
115 2HB PHE 15 1HB PHE 15 3.287 -11.433 -11.433
116 HD1 PHE 15 2HD PHE 15 3.307 -10.498 -10.498
117 HD2 PHE 15 1HD PHE 15 0.410 -12.107 -12.107
118 HE1 PHE 15 2HE PHE 15 2.101 -11.470 -11.470
119 HE2 PHE 15 1HE PHE 15 -0.796 -13.081 -13.081
120 HZ PHE 15 HZ PHE 15 0.041 -12.770 -12.770
121 H GLN 16 H GLN 16 2.076 -7.815 -7.815
122 HA GLN 16 HA GLN 16 3.809 -7.679 -7.679
123 1HB GLN 16 2HB GLN 16 1.035 -6.533 -6.533
124 2HB GLN 16 1HB GLN 16 1.832 -7.153 -7.153
125 1HG GLN 16 2HG GLN 16 1.858 -9.359 -9.359
126 2HG GLN 16 1HG GLN 16 0.318 -8.603 -8.603
127 1HE2 GLN 16 2HE2 GLN 16 1.077 -10.735 -10.735
128 2HE2 GLN 16 1HE2 GLN 16 2.307 -10.422 -10.422
129 H CYS 17 H CYS 17 2.882 -5.900 -5.900
130 HA CYS 17 HA CYS 17 3.141 -3.203 -3.203
131 1HB CYS 17 2HB CYS 17 2.144 -3.937 -3.937
132 2HB CYS 17 1HB CYS 17 3.747 -4.102 -4.102
133 H LYS 18 H LYS 18 5.295 -5.556 -5.556
134 HA LYS 18 HA LYS 18 7.631 -3.651 -3.651
135 1HB LYS 18 2HB LYS 18 7.318 -4.960 -4.960
136 2HB LYS 18 1HB LYS 18 7.723 -6.411 -6.411
137 1HG LYS 18 2HG LYS 18 9.636 -4.102 -4.102
138 2HG LYS 18 1HG LYS 18 9.544 -4.832 -4.832
139 1HD LYS 18 2HD LYS 18 10.055 -7.082 -7.082
140 2HD LYS 18 1HD LYS 18 10.067 -6.361 -6.361
141 1HE LYS 18 2HE LYS 18 12.369 -6.704 -6.704
142 2HE LYS 18 1HE LYS 18 12.041 -5.015 -5.015
143 1HZ LYS 18 2HZ LYS 18 11.269 -5.531 -5.531
144 2HZ LYS 18 1HZ LYS 18 12.849 -6.155 -6.155
145 3HZ LYS 18 3HZ LYS 18 12.522 -4.526 -4.526
146 H HIS 19 H HIS 19 6.013 -6.205 -6.205
147 HA HIS 19 HA HIS 19 8.322 -6.588 -6.588
148 1HB HIS 19 2HB HIS 19 6.371 -8.717 -8.717
149 2HB HIS 19 1HB HIS 19 7.636 -8.942 -8.942
150 HD1 HIS 19 1HD HIS 19 10.097 -8.304 -8.304
151 HD2 HIS 19 2HD HIS 19 7.240 -9.140 -9.140
152 HE1 HIS 19 1HE HIS 19 11.245 -8.867 -8.867
153 H SER 20 H SER 20 4.820 -6.125 -6.125
154 HA SER 20 HA SER 20 4.927 -6.737 -6.737
155 1HB SER 20 2HB SER 20 2.533 -6.026 -6.026
156 2HB SER 20 1HB SER 20 2.570 -6.806 -6.806
157 HG SER 20 HG SER 20 4.242 -8.101 -8.101
158 H MET 21 H MET 21 6.209 -4.824 -4.824
159 HA MET 21 HA MET 21 5.053 -2.190 -2.190
160 1HB MET 21 2HB MET 21 7.260 -3.325 -3.325
161 2HB MET 21 1HB MET 21 6.867 -1.628 -1.628
162 1HG MET 21 2HG MET 21 8.046 -3.290 -3.290
163 2HG MET 21 1HG MET 21 8.692 -1.875 -1.875
164 1HE MET 21 2HE MET 21 7.175 0.256 0.256
165 2HE MET 21 1HE MET 21 5.526 -0.068 -0.068
166 3HE MET 21 3HE MET 21 6.563 1.007 1.007
167 1HN DNP 22 HN DAP 22 3.034 -2.706 -2.706
168 HA DNP 22 HA DAP 22 2.304 -1.836 -1.836
169 1HB DNP 22 1HB DAP 22 0.869 -3.806 -3.806
170 2HB DNP 22 2HB DAP 22 1.238 -4.553 -4.553
171 1HG DNP 22 1HG DAP 22 3.051 -5.503 -5.503
172 2HG DNP 22 2HG DAP 22 3.661 -4.003 -4.003
173 3HG DNP 22 3HG DAP 22 2.636 -4.860 -4.860
174 H TYR 23 H TYR 23 1.221 -3.521 -3.521
175 HA TYR 23 HA TYR 23 -1.068 -1.718 -1.718
176 1HB TYR 23 2HB TYR 23 -0.071 -3.420 -3.420
177 2HB TYR 23 1HB TYR 23 -1.705 -3.165 -3.165
178 HD1 TYR 23 2HD TYR 23 -1.676 -4.003 -4.003
179 HD2 TYR 23 1HD TYR 23 0.295 -5.773 -5.773
180 HE1 TYR 23 2HE TYR 23 -1.685 -6.166 -6.166
181 HE2 TYR 23 1HE TYR 23 0.305 -7.895 -7.895
182 HH TYR 23 HH TYR 23 0.173 -8.783 -8.783
183 H ARG 24 H ARG 24 1.877 -2.485 -2.485
184 HA ARG 24 HA ARG 24 2.212 -0.291 -0.291
185 1HB ARG 24 2HB ARG 24 3.404 -2.781 -2.781
186 2HB ARG 24 1HB ARG 24 4.651 -1.659 -1.659
187 1HG ARG 24 2HG ARG 24 3.216 -1.803 -1.803
188 2HG ARG 24 1HG ARG 24 4.792 -2.520 -2.520
189 1HD ARG 24 2HD ARG 24 4.054 0.423 0.423
190 2HD ARG 24 1HD ARG 24 5.187 -0.496 -0.496
191 HE ARG 24 HE ARG 24 5.614 0.175 0.175
192 1HH1 ARG 24 2HH1 ARG 24 7.054 -1.974 -1.974
193 2HH1 ARG 24 1HH1 ARG 24 8.581 -1.263 -1.263
194 1HH2 ARG 24 1HH2 ARG 24 7.126 1.969 1.969
195 2HH2 ARG 24 2HH2 ARG 24 8.605 1.255 1.255
196 H LEU 25 H LEU 25 1.977 0.047 0.047
197 HA LEU 25 HA LEU 25 4.256 1.895 1.895
198 1HB LEU 25 2HB LEU 25 3.820 -0.031 -0.031
199 2HB LEU 25 1HB LEU 25 2.298 0.561 0.561
200 HG LEU 25 HG LEU 25 3.224 2.597 2.597
201 1HD1 LEU 25 1HD1 LEU 25 5.965 1.425 1.425
202 2HD1 LEU 25 3HD1 LEU 25 5.668 2.848 2.848
203 3HD1 LEU 25 2HD1 LEU 25 5.279 2.875 2.875
204 1HD2 LEU 25 3HD2 LEU 25 2.967 0.536 0.536
205 2HD2 LEU 25 2HD2 LEU 25 4.339 1.477 1.477
206 3HD2 LEU 25 1HD2 LEU 25 4.600 0.031 0.031
207 H SER 26 H SER 26 1.013 1.737 1.737
208 HA SER 26 HA SER 26 0.519 4.463 4.463
209 1HB SER 26 2HB SER 26 -0.057 3.539 3.539
210 2HB SER 26 1HB SER 26 -0.461 5.135 5.135
211 HG SER 26 HG SER 26 2.094 4.632 4.632
212 H PHE 27 H PHE 27 -0.415 1.535 1.535
213 HA PHE 27 HA PHE 27 -3.346 2.333 2.333
214 1HB PHE 27 2HB PHE 27 -2.546 -0.486 -0.486
215 2HB PHE 27 1HB PHE 27 -4.062 0.155 0.155
216 HD1 PHE 27 1HD PHE 27 -2.401 1.854 1.854
217 HD2 PHE 27 2HD PHE 27 -2.843 -2.216 -2.216
218 HE1 PHE 27 1HE PHE 27 -1.845 1.122 1.122
219 HE2 PHE 27 2HE PHE 27 -2.289 -2.940 -2.940
220 HZ PHE 27 HZ PHE 27 -1.788 -1.284 -1.284
221 H CYS 28 H CYS 28 -1.024 1.168 1.168
222 HA CYS 28 HA CYS 28 -3.248 1.643 1.643
223 1HB CYS 28 2HB CYS 28 -0.741 0.371 0.371
224 2HB CYS 28 1HB CYS 28 -2.399 -0.157 -0.157
225 H ARG 29 H ARG 29 -2.223 3.715 3.715
226 HA ARG 29 HA ARG 29 -0.036 5.185 5.185
227 1HB ARG 29 2HB ARG 29 -2.904 5.891 5.891
228 2HB ARG 29 1HB ARG 29 -1.760 7.030 7.030
229 1HG ARG 29 2HG ARG 29 -2.180 7.859 7.859
230 2HG ARG 29 1HG ARG 29 -0.582 7.154 7.154
231 1HD ARG 29 2HD ARG 29 -1.223 5.262 5.262
232 2HD ARG 29 1HD ARG 29 -2.942 5.608 5.608
233 HE ARG 29 HE ARG 29 -1.001 7.302 7.302
234 1HH1 ARG 29 1HH2 ARG 29 -2.759 9.137 9.137
235 2HH1 ARG 29 2HH2 ARG 29 -4.134 8.632 8.632
236 1HH2 ARG 29 2HH1 ARG 29 -3.244 5.232 5.232
237 2HH2 ARG 29 1HH1 ARG 29 -4.429 6.246 6.246
238 H LYS 30 H LYS 30 -2.652 5.166 5.166
239 HA LYS 30 HA LYS 30 -0.863 6.089 6.089
240 1HB LYS 30 2HB LYS 30 -3.879 5.511 5.511
241 2HB LYS 30 1HB LYS 30 -3.057 6.236 6.236
242 1HG LYS 30 2HG LYS 30 -3.114 7.359 7.359
243 2HG LYS 30 1HG LYS 30 -4.269 7.828 7.828
244 1HD LYS 30 2HD LYS 30 -1.971 8.226 8.226
245 2HD LYS 30 1HD LYS 30 -1.290 8.346 8.346
246 1HE LYS 30 2HE LYS 30 -2.982 10.185 10.185
247 2HE LYS 30 1HE LYS 30 -3.534 10.087 10.087
248 1HZ LYS 30 1HZ LYS 30 -0.761 10.227 10.227
249 2HZ LYS 30 3HZ LYS 30 -1.229 11.432 11.432
250 3HZ LYS 30 2HZ LYS 30 -1.867 11.410 11.410
251 H THR 31 H THR 31 -3.225 3.706 3.706
252 HA THR 31 HA THR 31 -3.275 1.989 1.989
253 HB THR 31 HB THR 31 -2.990 1.445 1.445
254 HG1 THR 31 1HG THR 31 -4.828 2.402 2.402
255 1HG2 THR 31 1HG2 THR 31 -4.150 -0.343 -0.343
256 2HG2 THR 31 3HG2 THR 31 -4.185 -0.594 -0.594
257 3HG2 THR 31 2HG2 THR 31 -2.652 -0.731 -0.731
258 H CYS 32 H CYS 32 -0.546 2.205 2.205
259 HA CYS 32 HA CYS 32 1.019 0.478 0.478
260 1HB CYS 32 2HB CYS 32 0.686 -0.664 -0.664
261 2HB CYS 32 1HB CYS 32 1.323 0.735 0.735
262 H GLY 33 H GLY 33 1.021 3.160 3.160
263 1HA GLY 33 2HA GLY 33 2.032 5.329 5.329
264 2HA GLY 33 1HA GLY 33 3.264 4.402 4.402
265 H THR 34 H THR 34 1.880 4.376 4.376
266 HA THR 34 HA THR 34 4.583 3.828 3.828
267 HB THR 34 HB THR 34 3.446 3.304 3.304
268 HG1 THR 34 1HG THR 34 2.016 4.589 4.589
269 1HG2 THR 34 2HG2 THR 34 2.650 1.757 1.757
270 2HG2 THR 34 1HG2 THR 34 1.294 2.820 2.820
271 3HG2 THR 34 3HG2 THR 34 1.427 1.961 1.961
272 H CYS 35 HN CYS 35 2.365 6.576 6.576
273 HA CYS 35 HA CYS 35 4.352 8.298 8.298
274 1HB CYS 35 2HB CYS 35 2.412 9.651 9.651
275 2HB CYS 35 1HB CYS 35 2.288 8.122 8.122
Start of MODEL 14
1 1H ARG 1 2H ARG 1 0.767 14.594 14.594
2 2H ARG 1 1H ARG 1 2.165 14.193 14.193
3 3H ARG 1 3H ARG 1 1.825 15.825 15.825
4 HA ARG 1 HA ARG 1 0.610 16.044 16.044
5 1HB ARG 1 2HB ARG 1 1.389 13.091 13.091
6 2HB ARG 1 1HB ARG 1 0.370 13.833 13.833
7 1HG ARG 1 2HG ARG 1 3.055 15.130 15.130
8 2HG ARG 1 1HG ARG 1 2.994 13.700 13.700
9 1HD ARG 1 2HD ARG 1 1.361 14.886 14.886
10 2HD ARG 1 1HD ARG 1 1.535 16.353 16.353
11 HE ARG 1 HE ARG 1 3.874 15.033 15.033
12 1HH1 ARG 1 1HH1 ARG 1 4.526 17.245 17.245
13 2HH1 ARG 1 2HH1 ARG 1 4.538 18.633 18.633
14 1HH2 ARG 1 1HH2 ARG 1 2.633 16.837 16.837
15 2HH2 ARG 1 2HH2 ARG 1 3.354 18.378 18.378
16 H SER 2 H SER 2 -1.473 14.921 14.921
17 HA SER 2 HA SER 2 -3.300 14.059 14.059
18 1HB SER 2 2HB SER 2 -4.106 15.443 15.443
19 2HB SER 2 1HB SER 2 -5.087 15.215 15.215
20 HG SER 2 HG SER 2 -4.267 17.092 17.092
21 H CYS 3 H CYS 3 -2.778 11.776 11.776
22 HA CYS 3 HA CYS 3 -3.762 10.737 10.737
23 1HB CYS 3 2HB CYS 3 -1.961 9.141 9.141
24 2HB CYS 3 1HB CYS 3 -1.241 10.720 10.720
25 H ILE 4 H ILE 4 -4.599 8.616 8.616
26 HA ILE 4 HA ILE 4 -5.286 7.953 7.953
27 HB ILE 4 HB ILE 4 -7.694 7.576 7.576
28 1HG1 ILE 4 2HG1 ILE 4 -8.180 9.305 9.305
29 2HG1 ILE 4 1HG1 ILE 4 -6.526 9.041 9.041
30 1HG2 ILE 4 3HG2 ILE 4 -7.143 9.468 9.468
31 2HG2 ILE 4 2HG2 ILE 4 -6.683 10.446 10.446
32 3HG2 ILE 4 1HG2 ILE 4 -8.351 9.941 9.941
33 1HD1 ILE 4 3HD1 ILE 4 -8.583 6.815 6.815
34 2HD1 ILE 4 2HD1 ILE 4 -8.025 7.464 7.464
35 3HD1 ILE 4 1HD1 ILE 4 -6.930 6.562 6.562
36 H ASP 5 H ASP 5 -6.077 5.876 5.876
37 HA ASP 5 HA ASP 5 -4.772 3.818 3.818
38 1HB ASP 5 2HB ASP 5 -6.803 2.946 2.946
39 2HB ASP 5 1HB ASP 5 -5.131 2.468 2.468
40 H THR 6 H THR 6 -6.034 2.181 2.181
41 HA THR 6 HA THR 6 -8.950 2.569 2.569
42 HB THR 6 HB THR 6 -7.758 4.185 4.185
43 HG1 THR 6 1HG THR 6 -9.486 3.756 3.756
44 1HG2 THR 6 1HG2 THR 6 -6.839 1.603 1.603
45 2HG2 THR 6 3HG2 THR 6 -6.608 3.229 3.229
46 3HG2 THR 6 2HG2 THR 6 -5.759 2.717 2.717
47 H ILE 7 H ILE 7 -7.065 0.776 0.776
48 HA ILE 7 HA ILE 7 -7.802 -1.739 -1.739
49 HB ILE 7 HB ILE 7 -5.490 -0.965 -0.965
50 1HG1 ILE 7 2HG1 ILE 7 -4.128 -2.913 -2.913
51 2HG1 ILE 7 1HG1 ILE 7 -5.555 -3.414 -3.414
52 1HG2 ILE 7 1HG2 ILE 7 -5.098 0.210 0.210
53 2HG2 ILE 7 3HG2 ILE 7 -4.923 -1.332 -1.332
54 3HG2 ILE 7 2HG2 ILE 7 -3.793 -0.850 -0.850
55 1HD1 ILE 7 2HD1 ILE 7 -6.788 -3.598 -3.598
56 2HD1 ILE 7 1HD1 ILE 7 -5.325 -3.072 -3.072
57 3HD1 ILE 7 3HD1 ILE 7 -5.359 -4.618 -4.618
58 HA PRO 8 HA PRO 8 -8.493 -3.037 -3.037
59 1HB PRO 8 2HB PRO 8 -8.117 -5.707 -5.707
60 2HB PRO 8 1HB PRO 8 -9.605 -4.965 -4.965
61 1HG PRO 8 2HG PRO 8 -6.988 -5.432 -5.432
62 2HG PRO 8 1HG PRO 8 -8.583 -6.099 -6.099
63 1HD PRO 8 2HD PRO 8 -7.963 -3.844 -3.844
64 2HD PRO 8 1HD PRO 8 -9.520 -3.850 -3.850
65 H LYS 9 H LYS 9 -7.096 -2.807 -2.807
66 HA LYS 9 HA LYS 9 -4.304 -2.592 -2.592
67 1HB LYS 9 2HB LYS 9 -5.624 -1.817 -1.817
68 2HB LYS 9 1HB LYS 9 -5.772 -3.488 -3.488
69 1HG LYS 9 2HG LYS 9 -3.011 -2.523 -2.523
70 2HG LYS 9 1HG LYS 9 -3.758 -1.921 -1.921
71 1HD LYS 9 2HD LYS 9 -3.948 -4.297 -4.297
72 2HD LYS 9 1HD LYS 9 -3.326 -4.879 -4.879
73 1HE LYS 9 2HE LYS 9 -1.447 -4.741 -4.741
74 2HE LYS 9 1HE LYS 9 -1.204 -3.620 -3.620
75 1HZ LYS 9 3HZ LYS 9 -2.720 -2.310 -2.310
76 2HZ LYS 9 2HZ LYS 9 -1.380 -3.001 -3.001
77 3HZ LYS 9 1HZ LYS 9 -1.169 -1.944 -1.944
78 H SER 10 H SER 10 -6.392 -5.125 -5.125
79 HA SER 10 HA SER 10 -4.901 -7.224 -7.224
80 1HB SER 10 2HB SER 10 -6.828 -7.791 -7.791
81 2HB SER 10 1HB SER 10 -6.827 -8.480 -8.480
82 HG SER 10 HG SER 10 -8.171 -6.976 -6.976
83 H ARG 11 H ARG 11 -5.037 -5.850 -5.850
84 HA ARG 11 HA ARG 11 -3.351 -7.978 -7.978
85 1HB ARG 11 2HB ARG 11 -5.061 -6.306 -6.306
86 2HB ARG 11 1HB ARG 11 -3.691 -5.207 -5.207
87 1HG ARG 11 2HG ARG 11 -3.621 -6.353 -6.353
88 2HG ARG 11 1HG ARG 11 -2.306 -6.919 -6.919
89 1HD ARG 11 2HD ARG 11 -3.603 -8.920 -8.920
90 2HD ARG 11 1HD ARG 11 -4.941 -8.369 -8.369
91 HE ARG 11 HE ARG 11 -2.200 -8.892 -8.892
92 1HH1 ARG 11 2HH1 ARG 11 -4.470 -7.924 -7.924
93 2HH1 ARG 11 1HH1 ARG 11 -5.037 -9.324 -9.324
94 1HH2 ARG 11 1HH2 ARG 11 -3.300 -11.354 -11.354
95 2HH2 ARG 11 2HH2 ARG 11 -4.283 -11.490 -11.490
96 H CYS 12 H CYS 12 -3.042 -4.894 -4.894
97 HA CYS 12 HA CYS 12 -0.063 -4.948 -4.948
98 1HB CYS 12 2HB CYS 12 -2.047 -2.811 -2.811
99 2HB CYS 12 1HB CYS 12 -0.603 -2.611 -2.611
100 H THR 13 H THR 13 -1.228 -6.888 -6.888
101 HA THR 13 HA THR 13 -1.285 -6.451 -6.451
102 HB THR 13 HB THR 13 -2.243 -8.561 -8.561
103 HG1 THR 13 1HG THR 13 -0.307 -9.962 -9.962
104 1HG2 THR 13 3HG2 THR 13 0.492 -9.212 -9.212
105 2HG2 THR 13 2HG2 THR 13 -0.915 -10.274 -10.274
106 3HG2 THR 13 1HG2 THR 13 -0.995 -8.801 -8.801
107 H ALA 14 H ALA 14 0.428 -7.438 -7.438
108 HA ALA 14 HA ALA 14 2.814 -5.927 -5.927
109 1HB ALA 14 2HB ALA 14 2.427 -8.477 -8.477
110 2HB ALA 14 1HB ALA 14 3.755 -7.334 -7.334
111 3HB ALA 14 3HB ALA 14 2.117 -6.845 -6.845
112 H PHE 15 H PHE 15 1.862 -8.850 -8.850
113 HA PHE 15 HA PHE 15 4.617 -9.727 -9.727
114 1HB PHE 15 2HB PHE 15 2.337 -11.008 -11.008
115 2HB PHE 15 1HB PHE 15 3.691 -11.739 -11.739
116 HD1 PHE 15 1HD PHE 15 3.458 -10.715 -10.715
117 HD2 PHE 15 2HD PHE 15 0.400 -12.017 -12.017
118 HE1 PHE 15 1HE PHE 15 2.008 -11.260 -11.260
119 HE2 PHE 15 2HE PHE 15 -1.037 -12.555 -12.555
120 HZ PHE 15 HZ PHE 15 -0.238 -12.174 -12.174
121 H GLN 16 H GLN 16 2.131 -7.874 -7.874
122 HA GLN 16 HA GLN 16 3.679 -8.011 -8.011
123 1HB GLN 16 2HB GLN 16 1.000 -6.720 -6.720
124 2HB GLN 16 1HB GLN 16 1.644 -7.269 -7.269
125 1HG GLN 16 2HG GLN 16 1.557 -9.513 -9.513
126 2HG GLN 16 1HG GLN 16 0.071 -8.674 -8.674
127 1HE2 GLN 16 2HE2 GLN 16 1.773 -10.728 -10.728
128 2HE2 GLN 16 1HE2 GLN 16 2.743 -10.225 -10.225
129 H CYS 17 H CYS 17 2.663 -5.937 -5.937
130 HA CYS 17 HA CYS 17 3.334 -3.392 -3.392
131 1HB CYS 17 2HB CYS 17 2.340 -3.943 -3.943
132 2HB CYS 17 1HB CYS 17 4.011 -3.980 -3.980
133 H LYS 18 H LYS 18 5.239 -5.991 -5.991
134 HA LYS 18 HA LYS 18 7.807 -4.547 -4.547
135 1HB LYS 18 2HB LYS 18 7.459 -6.165 -6.165
136 2HB LYS 18 1HB LYS 18 7.437 -7.471 -7.471
137 1HG LYS 18 2HG LYS 18 9.673 -6.841 -6.841
138 2HG LYS 18 1HG LYS 18 9.701 -5.415 -5.415
139 1HD LYS 18 2HD LYS 18 9.655 -6.916 -6.916
140 2HD LYS 18 1HD LYS 18 9.742 -8.306 -8.306
141 1HE LYS 18 2HE LYS 18 11.859 -7.419 -7.419
142 2HE LYS 18 1HE LYS 18 11.766 -6.003 -6.003
143 1HZ LYS 18 1HZ LYS 18 11.615 -8.312 -8.312
144 2HZ LYS 18 3HZ LYS 18 12.949 -8.456 -8.456
145 3HZ LYS 18 2HZ LYS 18 12.817 -7.112 -7.112
146 H HIS 19 H HIS 19 6.281 -7.434 -7.434
147 HA HIS 19 HA HIS 19 8.346 -7.239 -7.239
148 1HB HIS 19 2HB HIS 19 6.533 -9.565 -9.565
149 2HB HIS 19 1HB HIS 19 7.836 -9.595 -9.595
150 HD1 HIS 19 1HD HIS 19 10.264 -9.315 -9.315
151 HD2 HIS 19 2HD HIS 19 7.315 -9.758 -9.758
152 HE1 HIS 19 1HE HIS 19 11.340 -9.838 -9.838
153 H SER 20 H SER 20 5.491 -5.889 -5.889
154 HA SER 20 HA SER 20 4.861 -6.480 -6.480
155 1HB SER 20 2HB SER 20 2.766 -5.934 -5.934
156 2HB SER 20 1HB SER 20 2.511 -6.492 -6.492
157 HG SER 20 HG SER 20 2.851 -8.462 -8.462
158 H MET 21 H MET 21 6.164 -4.550 -4.550
159 HA MET 21 HA MET 21 5.312 -1.941 -1.941
160 1HB MET 21 2HB MET 21 7.521 -2.743 -2.743
161 2HB MET 21 1HB MET 21 6.545 -2.477 -2.477
162 1HG MET 21 2HG MET 21 7.807 -0.498 -0.498
163 2HG MET 21 1HG MET 21 6.172 -0.111 -0.111
164 1HE MET 21 1HE MET 21 5.285 0.275 0.275
165 2HE MET 21 3HE MET 21 6.277 1.022 1.022
166 3HE MET 21 2HE MET 21 6.158 1.791 1.791
167 1HN DNP 22 HN DAP 22 4.180 -4.056 -4.056
168 HA DNP 22 HA DAP 22 2.650 -2.129 -2.129
169 1HB DNP 22 1HB DAP 22 1.255 -3.956 -3.956
170 2HB DNP 22 2HB DAP 22 1.725 -4.981 -4.981
171 1HG DNP 22 1HG DAP 22 4.057 -4.092 -4.092
172 2HG DNP 22 2HG DAP 22 2.984 -4.733 -4.733
173 3HG DNP 22 3HG DAP 22 3.484 -5.684 -5.684
174 H TYR 23 H TYR 23 2.016 -3.307 -3.307
175 HA TYR 23 HA TYR 23 -0.698 -2.074 -2.074
176 1HB TYR 23 2HB TYR 23 0.325 -3.740 -3.740
177 2HB TYR 23 1HB TYR 23 -1.332 -3.318 -3.318
178 HD1 TYR 23 1HD TYR 23 -1.694 -4.013 -4.013
179 HD2 TYR 23 2HD TYR 23 0.485 -6.011 -6.011
180 HE1 TYR 23 1HE TYR 23 -1.983 -6.138 -6.138
181 HE2 TYR 23 2HE TYR 23 0.220 -8.124 -8.124
182 HH TYR 23 HH TYR 23 -0.363 -8.599 -8.599
183 H ARG 24 H ARG 24 2.043 -2.335 -2.335
184 HA ARG 24 HA ARG 24 1.555 -0.289 -0.289
185 1HB ARG 24 2HB ARG 24 3.213 -1.990 -1.990
186 2HB ARG 24 1HB ARG 24 4.123 -1.351 -1.351
187 1HG ARG 24 2HG ARG 24 4.725 0.462 0.462
188 2HG ARG 24 1HG ARG 24 3.283 0.579 0.579
189 1HD ARG 24 2HD ARG 24 4.431 -0.223 -0.223
190 2HD ARG 24 1HD ARG 24 4.528 -1.723 -1.723
191 HE ARG 24 HE ARG 24 6.623 -0.279 -0.279
192 1HH1 ARG 24 1HH2 ARG 24 6.488 1.194 1.194
193 2HH1 ARG 24 2HH2 ARG 24 7.574 0.324 0.324
194 1HH2 ARG 24 2HH1 ARG 24 7.487 -2.429 -2.429
195 2HH2 ARG 24 1HH1 ARG 24 8.288 -1.905 -1.905
196 H LEU 25 H LEU 25 2.857 -0.054 -0.054
197 HA LEU 25 HA LEU 25 4.045 2.488 2.488
198 1HB LEU 25 2HB LEU 25 4.352 0.891 0.891
199 2HB LEU 25 1HB LEU 25 2.795 0.962 0.962
200 HG LEU 25 HG LEU 25 3.147 3.396 3.396
201 1HD1 LEU 25 1HD1 LEU 25 6.036 2.842 2.842
202 2HD1 LEU 25 3HD1 LEU 25 5.481 4.277 4.277
203 3HD1 LEU 25 2HD1 LEU 25 4.935 3.960 3.960
204 1HD2 LEU 25 1HD2 LEU 25 5.181 1.421 1.421
205 2HD2 LEU 25 3HD2 LEU 25 3.506 1.579 1.579
206 3HD2 LEU 25 2HD2 LEU 25 4.645 2.888 2.888
207 H SER 26 H SER 26 1.261 1.887 1.887
208 HA SER 26 HA SER 26 0.147 4.501 4.501
209 1HB SER 26 2HB SER 26 -0.719 4.600 4.600
210 2HB SER 26 1HB SER 26 1.007 4.926 4.926
211 HG SER 26 HG SER 26 -0.113 2.861 2.861
212 H PHE 27 H PHE 27 -0.433 1.335 1.335
213 HA PHE 27 HA PHE 27 -3.374 1.792 1.792
214 1HB PHE 27 2HB PHE 27 -2.075 -0.747 -0.747
215 2HB PHE 27 1HB PHE 27 -3.733 -0.544 -0.544
216 HD1 PHE 27 2HD PHE 27 -1.467 1.202 1.202
217 HD2 PHE 27 1HD PHE 27 -3.327 -2.523 -2.523
218 HE1 PHE 27 2HE PHE 27 -1.039 0.421 0.421
219 HE2 PHE 27 1HE PHE 27 -2.893 -3.295 -3.295
220 HZ PHE 27 HZ PHE 27 -1.745 -1.820 -1.820
221 H CYS 28 H CYS 28 -1.285 0.899 0.899
222 HA CYS 28 HA CYS 28 -3.476 1.520 1.520
223 1HB CYS 28 2HB CYS 28 -1.091 0.152 0.152
224 2HB CYS 28 1HB CYS 28 -2.791 -0.191 -0.191
225 H ARG 29 H ARG 29 -2.140 3.466 3.466
226 HA ARG 29 HA ARG 29 0.129 4.700 4.700
227 1HB ARG 29 2HB ARG 29 -2.687 5.611 5.611
228 2HB ARG 29 1HB ARG 29 -1.471 6.819 6.819
229 1HG ARG 29 2HG ARG 29 -0.231 5.842 5.842
230 2HG ARG 29 1HG ARG 29 -1.513 4.668 4.668
231 1HD ARG 29 2HD ARG 29 -2.631 5.984 5.984
232 2HD ARG 29 1HD ARG 29 -2.771 7.208 7.208
233 HE ARG 29 HE ARG 29 -0.496 8.056 8.056
234 1HH1 ARG 29 1HH2 ARG 29 -2.946 7.496 7.496
235 2HH1 ARG 29 2HH2 ARG 29 -2.093 7.442 7.442
236 1HH2 ARG 29 2HH1 ARG 29 1.036 7.369 7.369
237 2HH2 ARG 29 1HH1 ARG 29 0.364 7.398 7.398
238 H LYS 30 H LYS 30 -2.541 5.259 5.259
239 HA LYS 30 HA LYS 30 -0.509 6.209 6.209
240 1HB LYS 30 2HB LYS 30 -3.508 5.855 5.855
241 2HB LYS 30 1HB LYS 30 -2.393 6.867 6.867
242 1HG LYS 30 2HG LYS 30 -1.993 7.838 7.838
243 2HG LYS 30 1HG LYS 30 -3.668 7.320 7.320
244 1HD LYS 30 2HD LYS 30 -4.268 8.736 8.736
245 2HD LYS 30 1HD LYS 30 -2.574 9.148 9.148
246 1HE LYS 30 2HE LYS 30 -2.590 9.989 9.989
247 2HE LYS 30 1HE LYS 30 -4.346 9.890 9.890
248 1HZ LYS 30 3HZ LYS 30 -3.437 11.233 11.233
249 2HZ LYS 30 2HZ LYS 30 -2.588 11.908 11.908
250 3HZ LYS 30 1HZ LYS 30 -4.288 11.900 11.900
251 H THR 31 H THR 31 -2.985 3.843 3.843
252 HA THR 31 HA THR 31 -2.994 2.192 2.192
253 HB THR 31 HB THR 31 -2.815 1.418 1.418
254 HG1 THR 31 1HG THR 31 -4.656 2.518 2.518
255 1HG2 THR 31 1HG2 THR 31 -3.907 -0.171 -0.171
256 2HG2 THR 31 3HG2 THR 31 -3.975 -0.615 -0.615
257 3HG2 THR 31 2HG2 THR 31 -2.427 -0.626 -0.626
258 H CYS 32 H CYS 32 -0.247 2.492 2.492
259 HA CYS 32 HA CYS 32 1.230 0.493 0.493
260 1HB CYS 32 2HB CYS 32 1.241 1.089 1.089
261 2HB CYS 32 1HB CYS 32 2.823 1.031 1.031
262 H GLY 33 H GLY 33 1.346 3.556 3.556
263 1HA GLY 33 2HA GLY 33 2.114 5.551 5.551
264 2HA GLY 33 1HA GLY 33 3.286 4.526 4.526
265 H THR 34 H THR 34 2.411 5.068 5.068
266 HA THR 34 HA THR 34 5.305 5.411 5.411
267 HB THR 34 HB THR 34 4.198 5.052 5.052
268 HG1 THR 34 1HG THR 34 2.378 3.558 3.558
269 1HG2 THR 34 3HG2 THR 34 5.742 3.401 3.401
270 2HG2 THR 34 2HG2 THR 34 4.292 2.813 2.813
271 3HG2 THR 34 1HG2 THR 34 4.492 2.608 2.608
272 H CYS 35 HN CYS 35 2.174 7.103 7.103
273 HA CYS 35 HA CYS 35 3.884 9.359 9.359
274 1HB CYS 35 2HB CYS 35 1.894 9.950 9.950
275 2HB CYS 35 1HB CYS 35 2.648 8.499 8.499
Start of MODEL 15
1 1H ARG 1 3H ARG 1 1.620 14.689 14.689
2 2H ARG 1 2H ARG 1 2.142 15.348 15.348
3 3H ARG 1 1H ARG 1 2.175 16.290 16.290
4 HA ARG 1 HA ARG 1 0.083 16.971 16.971
5 1HB ARG 1 2HB ARG 1 0.800 16.288 16.288
6 2HB ARG 1 1HB ARG 1 -0.361 15.002 15.002
7 1HG ARG 1 2HG ARG 1 -2.122 16.767 16.767
8 2HG ARG 1 1HG ARG 1 -0.931 18.007 18.007
9 1HD ARG 1 2HD ARG 1 -0.720 17.059 17.059
10 2HD ARG 1 1HD ARG 1 -2.006 15.918 15.918
11 HE ARG 1 HE ARG 1 -2.390 18.902 18.902
12 1HH1 ARG 1 1HH1 ARG 1 -4.604 17.742 17.742
13 2HH1 ARG 1 2HH1 ARG 1 -5.699 17.313 17.313
14 1HH2 ARG 1 1HH2 ARG 1 -3.077 17.514 17.514
15 2HH2 ARG 1 2HH2 ARG 1 -4.760 17.193 17.193
16 H SER 2 H SER 2 -2.357 15.837 15.837
17 HA SER 2 HA SER 2 -2.354 13.834 13.834
18 1HB SER 2 2HB SER 2 -4.825 14.371 14.371
19 2HB SER 2 1HB SER 2 -4.655 14.388 14.388
20 HG SER 2 HG SER 2 -4.407 16.481 16.481
21 H CYS 3 H CYS 3 -3.233 11.646 11.646
22 HA CYS 3 HA CYS 3 -3.456 10.622 10.622
23 1HB CYS 3 2HB CYS 3 -1.696 8.959 8.959
24 2HB CYS 3 1HB CYS 3 -0.999 10.524 10.524
25 H ILE 4 H ILE 4 -4.497 8.523 8.523
26 HA ILE 4 HA ILE 4 -5.654 7.947 7.947
27 HB ILE 4 HB ILE 4 -7.903 7.723 7.723
28 1HG1 ILE 4 2HG1 ILE 4 -7.980 9.087 9.087
29 2HG1 ILE 4 1HG1 ILE 4 -6.373 8.416 8.416
30 1HG2 ILE 4 3HG2 ILE 4 -7.339 9.865 9.865
31 2HG2 ILE 4 2HG2 ILE 4 -6.675 10.474 10.474
32 3HG2 ILE 4 1HG2 ILE 4 -8.390 10.134 10.134
33 1HD1 ILE 4 1HD1 ILE 4 -8.863 6.755 6.755
34 2HD1 ILE 4 3HD1 ILE 4 -8.069 6.911 6.911
35 3HD1 ILE 4 2HD1 ILE 4 -7.257 6.107 6.107
36 H ASP 5 H ASP 5 -6.149 5.812 5.812
37 HA ASP 5 HA ASP 5 -4.783 3.908 3.908
38 1HB ASP 5 2HB ASP 5 -6.687 3.257 3.257
39 2HB ASP 5 1HB ASP 5 -5.388 2.266 2.266
40 H THR 6 H THR 6 -5.987 2.152 2.152
41 HA THR 6 HA THR 6 -8.922 2.345 2.345
42 HB THR 6 HB THR 6 -8.106 3.938 3.938
43 HG1 THR 6 1HG THR 6 -8.981 1.384 1.384
44 1HG2 THR 6 3HG2 THR 6 -6.531 1.564 1.564
45 2HG2 THR 6 2HG2 THR 6 -6.658 3.167 3.167
46 3HG2 THR 6 1HG2 THR 6 -5.786 2.943 2.943
47 H ILE 7 H ILE 7 -6.959 0.762 0.762
48 HA ILE 7 HA ILE 7 -7.342 -1.809 -1.809
49 HB ILE 7 HB ILE 7 -4.987 -0.694 -0.694
50 1HG1 ILE 7 2HG1 ILE 7 -3.710 -2.715 -2.715
51 2HG1 ILE 7 1HG1 ILE 7 -5.209 -3.429 -3.429
52 1HG2 ILE 7 1HG2 ILE 7 -5.113 0.163 0.163
53 2HG2 ILE 7 3HG2 ILE 7 -5.043 -1.493 -1.493
54 3HG2 ILE 7 2HG2 ILE 7 -3.700 -0.817 -0.817
55 1HD1 ILE 7 2HD1 ILE 7 -6.072 -3.256 -3.256
56 2HD1 ILE 7 1HD1 ILE 7 -4.529 -2.573 -2.573
57 3HD1 ILE 7 3HD1 ILE 7 -4.616 -4.230 -4.230
58 HA PRO 8 HA PRO 8 -8.590 -3.143 -3.143
59 1HB PRO 8 2HB PRO 8 -8.236 -5.806 -5.806
60 2HB PRO 8 1HB PRO 8 -9.629 -5.042 -5.042
61 1HG PRO 8 2HG PRO 8 -6.871 -5.578 -5.578
62 2HG PRO 8 1HG PRO 8 -8.435 -6.159 -6.159
63 1HD PRO 8 2HD PRO 8 -7.486 -3.913 -3.913
64 2HD PRO 8 1HD PRO 8 -9.191 -3.915 -3.915
65 H LYS 9 H LYS 9 -7.191 -2.614 -2.614
66 HA LYS 9 HA LYS 9 -4.400 -2.552 -2.552
67 1HB LYS 9 2HB LYS 9 -5.779 -1.560 -1.560
68 2HB LYS 9 1HB LYS 9 -6.059 -3.161 -3.161
69 1HG LYS 9 2HG LYS 9 -3.203 -2.384 -2.384
70 2HG LYS 9 1HG LYS 9 -4.029 -1.640 -1.640
71 1HD LYS 9 2HD LYS 9 -4.371 -3.804 -3.804
72 2HD LYS 9 1HD LYS 9 -3.839 -4.648 -4.648
73 1HE LYS 9 2HE LYS 9 -1.940 -4.527 -4.527
74 2HE LYS 9 1HE LYS 9 -1.567 -3.609 -3.609
75 1HZ LYS 9 3HZ LYS 9 -2.907 -1.896 -1.896
76 2HZ LYS 9 2HZ LYS 9 -1.637 -2.658 -2.658
77 3HZ LYS 9 1HZ LYS 9 -1.337 -1.776 -1.776
78 H SER 10 H SER 10 -6.625 -4.985 -4.985
79 HA SER 10 HA SER 10 -5.305 -7.041 -7.041
80 1HB SER 10 2HB SER 10 -7.036 -7.721 -7.721
81 2HB SER 10 1HB SER 10 -7.212 -8.307 -8.307
82 HG SER 10 HG SER 10 -8.706 -6.756 -6.756
83 H ARG 11 H ARG 11 -5.170 -6.034 -6.034
84 HA ARG 11 HA ARG 11 -3.355 -8.142 -8.142
85 1HB ARG 11 2HB ARG 11 -5.100 -6.503 -6.503
86 2HB ARG 11 1HB ARG 11 -3.667 -5.522 -5.522
87 1HG ARG 11 2HG ARG 11 -3.703 -6.875 -6.875
88 2HG ARG 11 1HG ARG 11 -2.421 -7.486 -7.486
89 1HD ARG 11 2HD ARG 11 -4.092 -9.235 -9.235
90 2HD ARG 11 1HD ARG 11 -5.200 -8.711 -8.711
91 HE ARG 11 HE ARG 11 -2.431 -9.785 -9.785
92 1HH1 ARG 11 2HH1 ARG 11 -4.103 -8.415 -8.415
93 2HH1 ARG 11 1HH1 ARG 11 -4.710 -9.746 -9.746
94 1HH2 ARG 11 1HH2 ARG 11 -3.884 -11.951 -11.951
95 2HH2 ARG 11 2HH2 ARG 11 -4.564 -11.952 -11.952
96 H CYS 12 H CYS 12 -3.244 -4.955 -4.955
97 HA CYS 12 HA CYS 12 -0.372 -4.575 -4.575
98 1HB CYS 12 2HB CYS 12 -2.320 -2.873 -2.873
99 2HB CYS 12 1HB CYS 12 -0.888 -2.344 -2.344
100 H THR 13 H THR 13 -1.028 -6.760 -6.760
101 HA THR 13 HA THR 13 -0.673 -6.206 -6.206
102 HB THR 13 HB THR 13 -1.885 -8.277 -8.277
103 HG1 THR 13 1HG THR 13 -0.061 -9.775 -9.775
104 1HG2 THR 13 3HG2 THR 13 0.478 -9.013 -9.013
105 2HG2 THR 13 2HG2 THR 13 -0.914 -10.044 -10.044
106 3HG2 THR 13 1HG2 THR 13 -1.121 -8.587 -8.587
107 H ALA 14 H ALA 14 1.249 -6.802 -6.802
108 HA ALA 14 HA ALA 14 3.589 -5.671 -5.671
109 1HB ALA 14 1HB ALA 14 3.344 -6.412 -6.412
110 2HB ALA 14 3HB ALA 14 3.435 -8.089 -8.089
111 3HB ALA 14 2HB ALA 14 4.826 -7.035 -7.035
112 H PHE 15 H PHE 15 2.389 -8.762 -8.762
113 HA PHE 15 HA PHE 15 4.534 -10.239 -10.239
114 1HB PHE 15 2HB PHE 15 1.768 -10.544 -10.544
115 2HB PHE 15 1HB PHE 15 2.935 -11.762 -11.762
116 HD1 PHE 15 2HD PHE 15 3.189 -10.350 -10.350
117 HD2 PHE 15 1HD PHE 15 0.090 -12.024 -12.024
118 HE1 PHE 15 2HE PHE 15 1.893 -10.864 -10.864
119 HE2 PHE 15 1HE PHE 15 -1.193 -12.538 -12.538
120 HZ PHE 15 HZ PHE 15 -0.300 -11.959 -11.959
121 H GLN 16 H GLN 16 2.235 -8.136 -8.136
122 HA GLN 16 HA GLN 16 3.660 -8.153 -8.153
123 1HB GLN 16 2HB GLN 16 1.063 -6.717 -6.717
124 2HB GLN 16 1HB GLN 16 1.565 -7.201 -7.201
125 1HG GLN 16 2HG GLN 16 1.452 -9.583 -9.583
126 2HG GLN 16 1HG GLN 16 -0.076 -8.781 -8.781
127 1HE2 GLN 16 2HE2 GLN 16 1.493 -10.190 -10.190
128 2HE2 GLN 16 1HE2 GLN 16 2.581 -9.556 -9.556
129 H CYS 17 H CYS 17 2.327 -5.801 -5.801
130 HA CYS 17 HA CYS 17 3.355 -3.382 -3.382
131 1HB CYS 17 2HB CYS 17 2.166 -4.201 -4.201
132 2HB CYS 17 1HB CYS 17 3.790 -4.129 -4.129
133 H LYS 18 H LYS 18 5.191 -6.089 -6.089
134 HA LYS 18 HA LYS 18 7.717 -4.486 -4.486
135 1HB LYS 18 2HB LYS 18 7.044 -6.161 -6.161
136 2HB LYS 18 1HB LYS 18 7.528 -7.417 -7.417
137 1HG LYS 18 2HG LYS 18 9.794 -6.375 -6.375
138 2HG LYS 18 1HG LYS 18 9.297 -5.059 -5.059
139 1HD LYS 18 2HD LYS 18 8.760 -6.858 -6.858
140 2HD LYS 18 1HD LYS 18 9.599 -8.007 -8.007
141 1HE LYS 18 2HE LYS 18 10.790 -5.453 -5.453
142 2HE LYS 18 1HE LYS 18 11.060 -7.081 -7.081
143 1HZ LYS 18 1HZ LYS 18 11.732 -7.030 -7.030
144 2HZ LYS 18 3HZ LYS 18 12.475 -5.699 -5.699
145 3HZ LYS 18 2HZ LYS 18 12.761 -7.256 -7.256
146 H HIS 19 H HIS 19 6.220 -7.417 -7.417
147 HA HIS 19 HA HIS 19 8.358 -7.242 -7.242
148 1HB HIS 19 2HB HIS 19 6.780 -9.676 -9.676
149 2HB HIS 19 1HB HIS 19 7.981 -9.703 -9.703
150 HD1 HIS 19 1HD HIS 19 10.451 -9.274 -9.274
151 HD2 HIS 19 2HD HIS 19 7.766 -9.626 -9.626
152 HE1 HIS 19 1HE HIS 19 11.718 -9.612 -9.612
153 H SER 20 H SER 20 5.870 -5.755 -5.755
154 HA SER 20 HA SER 20 4.938 -6.542 -6.542
155 1HB SER 20 2HB SER 20 3.061 -6.227 -6.227
156 2HB SER 20 1HB SER 20 2.557 -6.472 -6.472
157 HG SER 20 HG SER 20 4.421 -8.316 -8.316
158 H MET 21 H MET 21 6.150 -4.408 -4.408
159 HA MET 21 HA MET 21 4.961 -1.942 -1.942
160 1HB MET 21 2HB MET 21 6.200 -0.898 -0.898
161 2HB MET 21 1HB MET 21 7.231 -2.031 -2.031
162 1HG MET 21 2HG MET 21 7.645 -3.045 -3.045
163 2HG MET 21 1HG MET 21 5.980 -3.515 -3.515
164 1HE MET 21 3HE MET 21 4.239 -2.316 -2.316
165 2HE MET 21 2HE MET 21 4.513 -0.726 -0.726
166 3HE MET 21 1HE MET 21 4.365 -0.896 -0.896
167 1HN DNP 22 HN DAP 22 3.875 -4.282 -4.282
168 HA DNP 22 HA DAP 22 2.241 -2.498 -2.498
169 1HB DNP 22 1HB DAP 22 2.536 -4.918 -4.918
170 2HB DNP 22 2HB DAP 22 0.847 -4.446 -4.446
171 1HG DNP 22 1HG DAP 22 1.475 -5.323 -5.323
172 2HG DNP 22 2HG DAP 22 2.200 -6.466 -6.466
173 3HG DNP 22 3HG DAP 22 0.549 -6.129 -6.129
174 H TYR 23 H TYR 23 1.874 -2.975 -2.975
175 HA TYR 23 HA TYR 23 -0.900 -1.934 -1.934
176 1HB TYR 23 2HB TYR 23 -0.044 -3.586 -3.586
177 2HB TYR 23 1HB TYR 23 -1.671 -3.236 -3.236
178 HD1 TYR 23 2HD TYR 23 -1.882 -3.966 -3.966
179 HD2 TYR 23 1HD TYR 23 0.358 -5.887 -5.887
180 HE1 TYR 23 2HE TYR 23 -1.999 -6.067 -6.067
181 HE2 TYR 23 1HE TYR 23 0.260 -7.987 -7.987
182 HH TYR 23 HH TYR 23 -0.488 -9.033 -9.033
183 H ARG 24 H ARG 24 1.742 -2.257 -2.257
184 HA ARG 24 HA ARG 24 1.383 -0.021 -0.021
185 1HB ARG 24 2HB ARG 24 2.928 -1.842 -1.842
186 2HB ARG 24 1HB ARG 24 3.854 -1.360 -1.360
187 1HG ARG 24 2HG ARG 24 4.687 0.382 0.382
188 2HG ARG 24 1HG ARG 24 3.233 0.721 0.721
189 1HD ARG 24 2HD ARG 24 3.812 -0.654 -0.654
190 2HD ARG 24 1HD ARG 24 4.494 -1.830 -1.830
191 HE ARG 24 HE ARG 24 6.433 -0.316 -0.316
192 1HH1 ARG 24 1HH2 ARG 24 6.221 1.886 1.886
193 2HH1 ARG 24 2HH2 ARG 24 6.466 1.450 1.450
194 1HH2 ARG 24 2HH1 ARG 24 6.017 -1.973 -1.973
195 2HH2 ARG 24 1HH1 ARG 24 6.437 -0.982 -0.982
196 H LEU 25 H LEU 25 2.661 -0.132 -0.132
197 HA LEU 25 HA LEU 25 4.101 2.273 2.273
198 1HB LEU 25 2HB LEU 25 4.218 0.635 0.635
199 2HB LEU 25 1HB LEU 25 2.643 0.819 0.819
200 HG LEU 25 HG LEU 25 3.274 3.299 3.299
201 1HD1 LEU 25 1HD1 LEU 25 6.085 2.350 2.350
202 2HD1 LEU 25 3HD1 LEU 25 5.688 3.880 3.880
203 3HD1 LEU 25 2HD1 LEU 25 5.167 3.568 3.568
204 1HD2 LEU 25 3HD2 LEU 25 3.361 1.531 1.531
205 2HD2 LEU 25 2HD2 LEU 25 4.602 2.743 2.743
206 3HD2 LEU 25 1HD2 LEU 25 5.033 1.194 1.194
207 H SER 26 H SER 26 1.110 1.894 1.894
208 HA SER 26 HA SER 26 0.348 4.610 4.610
209 1HB SER 26 2HB SER 26 1.241 4.234 4.234
210 2HB SER 26 1HB SER 26 -0.519 4.179 4.179
211 HG SER 26 HG SER 26 1.080 6.263 6.263
212 H PHE 27 H PHE 27 -0.435 1.530 1.530
213 HA PHE 27 HA PHE 27 -3.367 2.032 2.032
214 1HB PHE 27 2HB PHE 27 -2.184 -0.577 -0.577
215 2HB PHE 27 1HB PHE 27 -3.673 -0.278 -0.278
216 HD1 PHE 27 2HD PHE 27 0.046 0.131 0.131
217 HD2 PHE 27 1HD PHE 27 -3.757 -0.440 -0.440
218 HE1 PHE 27 2HE PHE 27 1.147 -0.139 -0.139
219 HE2 PHE 27 1HE PHE 27 -2.610 -0.721 -0.721
220 HZ PHE 27 HZ PHE 27 -0.151 -0.593 -0.593
221 H CYS 28 H CYS 28 -1.121 1.160 1.160
222 HA CYS 28 HA CYS 28 -3.236 1.658 1.658
223 1HB CYS 28 2HB CYS 28 -0.714 0.357 0.357
224 2HB CYS 28 1HB CYS 28 -2.374 -0.124 -0.124
225 H ARG 29 H ARG 29 -1.988 3.607 3.607
226 HA ARG 29 HA ARG 29 0.256 4.921 4.921
227 1HB ARG 29 2HB ARG 29 -2.598 5.615 5.615
228 2HB ARG 29 1HB ARG 29 -1.575 6.898 6.898
229 1HG ARG 29 2HG ARG 29 -0.319 6.907 6.907
230 2HG ARG 29 1HG ARG 29 -0.767 5.243 5.243
231 1HD ARG 29 2HD ARG 29 -2.888 5.735 5.735
232 2HD ARG 29 1HD ARG 29 -2.939 7.323 7.323
233 HE ARG 29 HE ARG 29 -1.038 6.579 6.579
234 1HH1 ARG 29 2HH1 ARG 29 -0.751 9.290 9.290
235 2HH1 ARG 29 1HH1 ARG 29 -1.741 10.253 10.253
236 1HH2 ARG 29 1HH2 ARG 29 -3.470 7.274 7.274
237 2HH2 ARG 29 2HH2 ARG 29 -3.447 8.974 8.974
238 H LYS 30 H LYS 30 -2.444 5.363 5.363
239 HA LYS 30 HA LYS 30 -0.594 6.312 6.312
240 1HB LYS 30 2HB LYS 30 -3.598 5.980 5.980
241 2HB LYS 30 1HB LYS 30 -2.549 7.150 7.150
242 1HG LYS 30 2HG LYS 30 -2.235 7.818 7.818
243 2HG LYS 30 1HG LYS 30 -3.855 7.174 7.174
244 1HD LYS 30 2HD LYS 30 -4.543 9.246 9.246
245 2HD LYS 30 1HD LYS 30 -3.960 8.829 8.829
246 1HE LYS 30 2HE LYS 30 -2.491 10.325 10.325
247 2HE LYS 30 1HE LYS 30 -2.879 10.928 10.928
248 1HZ LYS 30 2HZ LYS 30 -1.283 8.550 8.550
249 2HZ LYS 30 1HZ LYS 30 -0.547 9.581 9.581
250 3HZ LYS 30 3HZ LYS 30 -0.833 10.099 10.099
251 H THR 31 H THR 31 -3.134 3.958 3.958
252 HA THR 31 HA THR 31 -3.214 2.393 2.393
253 HB THR 31 HB THR 31 -3.183 1.549 1.549
254 HG1 THR 31 1HG THR 31 -5.020 2.580 2.580
255 1HG2 THR 31 2HG2 THR 31 -3.851 -0.189 -0.189
256 2HG2 THR 31 1HG2 THR 31 -4.028 -0.589 -0.589
257 3HG2 THR 31 3HG2 THR 31 -2.420 -0.455 -0.455
258 H CYS 32 H CYS 32 -0.412 2.413 2.413
259 HA CYS 32 HA CYS 32 0.906 0.436 0.436
260 1HB CYS 32 2HB CYS 32 1.052 0.954 0.954
261 2HB CYS 32 1HB CYS 32 2.603 0.826 0.826
262 H GLY 33 H GLY 33 1.166 3.554 3.554
263 1HA GLY 33 2HA GLY 33 2.112 5.371 5.371
264 2HA GLY 33 1HA GLY 33 3.281 4.233 4.233
265 H THR 34 H THR 34 2.264 5.040 5.040
266 HA THR 34 HA THR 34 5.129 5.457 5.457
267 HB THR 34 HB THR 34 3.569 5.639 5.639
268 HG1 THR 34 1HG THR 34 2.394 3.496 3.496
269 1HG2 THR 34 2HG2 THR 34 5.638 4.173 4.173
270 2HG2 THR 34 1HG2 THR 34 4.581 3.070 3.070
271 3HG2 THR 34 3HG2 THR 34 4.386 3.304 3.304
272 H CYS 35 HN CYS 35 1.949 7.094 7.094
273 HA CYS 35 HA CYS 35 3.327 9.642 9.642
274 1HB CYS 35 2HB CYS 35 1.363 10.314 10.314
275 2HB CYS 35 1HB CYS 35 2.614 9.495 9.495
Start of MODEL 16
1 1H ARG 1 2H ARG 1 0.185 12.421 12.421
2 2H ARG 1 1H ARG 1 1.459 13.498 13.498
3 3H ARG 1 3H ARG 1 1.540 12.375 12.375
4 HA ARG 1 HA ARG 1 0.558 13.849 13.849
5 1HB ARG 1 2HB ARG 1 1.566 15.709 15.709
6 2HB ARG 1 1HB ARG 1 -0.013 15.845 15.845
7 1HG ARG 1 2HG ARG 1 -0.225 17.534 17.534
8 2HG ARG 1 1HG ARG 1 -0.889 16.213 16.213
9 1HD ARG 1 2HD ARG 1 0.649 17.184 17.184
10 2HD ARG 1 1HD ARG 1 1.553 15.811 15.811
11 HE ARG 1 HE ARG 1 2.580 17.549 17.549
12 1HH1 ARG 1 1HH2 ARG 1 1.087 19.811 19.811
13 2HH1 ARG 1 2HH2 ARG 1 2.171 20.528 20.528
14 1HH2 ARG 1 1HH1 ARG 1 4.166 17.545 17.545
15 2HH2 ARG 1 2HH1 ARG 1 4.087 19.107 19.107
16 H SER 2 H SER 2 -1.612 14.876 14.876
17 HA SER 2 HA SER 2 -3.914 13.881 13.881
18 1HB SER 2 2HB SER 2 -3.994 15.305 15.305
19 2HB SER 2 1HB SER 2 -5.199 15.317 15.317
20 HG SER 2 HG SER 2 -4.116 16.989 16.989
21 H CYS 3 H CYS 3 -2.642 11.818 11.818
22 HA CYS 3 HA CYS 3 -3.745 10.498 10.498
23 1HB CYS 3 2HB CYS 3 -1.709 9.060 9.060
24 2HB CYS 3 1HB CYS 3 -1.394 10.662 10.662
25 H ILE 4 H ILE 4 -5.187 9.096 9.096
26 HA ILE 4 HA ILE 4 -5.319 7.855 7.855
27 HB ILE 4 HB ILE 4 -7.415 8.256 8.256
28 1HG1 ILE 4 2HG1 ILE 4 -6.563 10.428 10.428
29 2HG1 ILE 4 1HG1 ILE 4 -8.243 10.140 10.140
30 1HG2 ILE 4 2HG2 ILE 4 -7.778 7.378 7.378
31 2HG2 ILE 4 1HG2 ILE 4 -9.074 7.826 7.826
32 3HG2 ILE 4 3HG2 ILE 4 -8.076 6.437 6.437
33 1HD1 ILE 4 2HD1 ILE 4 -5.991 9.596 9.596
34 2HD1 ILE 4 1HD1 ILE 4 -7.096 10.964 10.964
35 3HD1 ILE 4 3HD1 ILE 4 -7.693 9.341 9.341
36 H ASP 5 H ASP 5 -6.267 5.777 5.777
37 HA ASP 5 HA ASP 5 -4.845 4.028 4.028
38 1HB ASP 5 2HB ASP 5 -6.910 3.209 3.209
39 2HB ASP 5 1HB ASP 5 -5.569 2.270 2.270
40 H THR 6 H THR 6 -5.946 2.302 2.302
41 HA THR 6 HA THR 6 -8.827 2.620 2.620
42 HB THR 6 HB THR 6 -7.689 4.102 4.102
43 HG1 THR 6 1HG THR 6 -8.496 1.555 1.555
44 1HG2 THR 6 2HG2 THR 6 -6.046 1.641 1.641
45 2HG2 THR 6 1HG2 THR 6 -6.021 3.203 3.203
46 3HG2 THR 6 3HG2 THR 6 -5.401 3.056 3.056
47 H ILE 7 H ILE 7 -7.016 0.925 0.925
48 HA ILE 7 HA ILE 7 -7.608 -1.675 -1.675
49 HB ILE 7 HB ILE 7 -5.197 -0.813 -0.813
50 1HG1 ILE 7 2HG1 ILE 7 -4.019 -2.825 -2.825
51 2HG1 ILE 7 1HG1 ILE 7 -5.511 -3.367 -3.367
52 1HG2 ILE 7 1HG2 ILE 7 -5.137 0.316 0.316
53 2HG2 ILE 7 3HG2 ILE 7 -5.167 -1.255 -1.255
54 3HG2 ILE 7 2HG2 ILE 7 -3.812 -0.787 -0.787
55 1HD1 ILE 7 2HD1 ILE 7 -6.568 -3.357 -3.357
56 2HD1 ILE 7 1HD1 ILE 7 -5.018 -2.862 -2.862
57 3HD1 ILE 7 3HD1 ILE 7 -5.190 -4.440 -4.440
58 HA PRO 8 HA PRO 8 -8.489 -2.812 -2.812
59 1HB PRO 8 2HB PRO 8 -8.358 -5.488 -5.488
60 2HB PRO 8 1HB PRO 8 -9.701 -4.662 -4.662
61 1HG PRO 8 2HG PRO 8 -6.998 -5.413 -5.413
62 2HG PRO 8 1HG PRO 8 -8.604 -5.975 -5.975
63 1HD PRO 8 2HD PRO 8 -7.637 -3.831 -3.831
64 2HD PRO 8 1HD PRO 8 -9.313 -3.746 -3.746
65 H LYS 9 H LYS 9 -7.146 -2.607 -2.607
66 HA LYS 9 HA LYS 9 -4.359 -2.557 -2.557
67 1HB LYS 9 2HB LYS 9 -5.769 -1.592 -1.592
68 2HB LYS 9 1HB LYS 9 -5.950 -3.217 -3.217
69 1HG LYS 9 2HG LYS 9 -3.138 -2.435 -2.435
70 2HG LYS 9 1HG LYS 9 -3.872 -1.601 -1.601
71 1HD LYS 9 2HD LYS 9 -4.013 -3.578 -3.578
72 2HD LYS 9 1HD LYS 9 -4.079 -4.588 -4.588
73 1HE LYS 9 2HE LYS 9 -1.846 -4.668 -4.668
74 2HE LYS 9 1HE LYS 9 -1.740 -4.321 -4.321
75 1HZ LYS 9 3HZ LYS 9 -1.965 -1.855 -1.855
76 2HZ LYS 9 2HZ LYS 9 -0.769 -2.758 -2.758
77 3HZ LYS 9 1HZ LYS 9 -0.658 -2.433 -2.433
78 H SER 10 H SER 10 -6.556 -4.953 -4.953
79 HA SER 10 HA SER 10 -5.077 -7.063 -7.063
80 1HB SER 10 2HB SER 10 -7.621 -7.152 -7.152
81 2HB SER 10 1HB SER 10 -7.217 -7.393 -7.393
82 HG SER 10 HG SER 10 -6.276 -9.308 -9.308
83 H ARG 11 H ARG 11 -5.136 -5.802 -5.802
84 HA ARG 11 HA ARG 11 -3.486 -7.973 -7.973
85 1HB ARG 11 2HB ARG 11 -5.256 -6.421 -6.421
86 2HB ARG 11 1HB ARG 11 -3.924 -5.276 -5.276
87 1HG ARG 11 2HG ARG 11 -3.970 -6.523 -6.523
88 2HG ARG 11 1HG ARG 11 -2.567 -6.960 -6.960
89 1HD ARG 11 2HD ARG 11 -3.660 -9.008 -9.008
90 2HD ARG 11 1HD ARG 11 -5.123 -8.587 -8.587
91 HE ARG 11 HE ARG 11 -2.434 -9.005 -9.005
92 1HH1 ARG 11 2HH1 ARG 11 -4.526 -8.106 -8.106
93 2HH1 ARG 11 1HH1 ARG 11 -5.212 -9.514 -9.514
94 1HH2 ARG 11 1HH2 ARG 11 -3.750 -11.516 -11.516
95 2HH2 ARG 11 2HH2 ARG 11 -4.748 -11.638 -11.638
96 H CYS 12 H CYS 12 -3.135 -4.876 -4.876
97 HA CYS 12 HA CYS 12 -0.181 -4.904 -4.904
98 1HB CYS 12 2HB CYS 12 -2.148 -2.768 -2.768
99 2HB CYS 12 1HB CYS 12 -0.861 -2.534 -2.534
100 H THR 13 H THR 13 -1.305 -6.769 -6.769
101 HA THR 13 HA THR 13 -1.223 -6.417 -6.417
102 HB THR 13 HB THR 13 -2.273 -8.451 -8.451
103 HG1 THR 13 1HG THR 13 -1.135 -9.905 -9.905
104 1HG2 THR 13 1HG2 THR 13 0.481 -9.164 -9.164
105 2HG2 THR 13 3HG2 THR 13 -0.948 -10.194 -10.194
106 3HG2 THR 13 2HG2 THR 13 -0.938 -8.708 -8.708
107 H ALA 14 H ALA 14 0.495 -7.453 -7.453
108 HA ALA 14 HA ALA 14 2.915 -5.994 -5.994
109 1HB ALA 14 1HB ALA 14 2.538 -8.676 -8.676
110 2HB ALA 14 3HB ALA 14 3.879 -7.579 -7.579
111 3HB ALA 14 2HB ALA 14 2.260 -7.104 -7.104
112 H PHE 15 H PHE 15 1.854 -8.952 -8.952
113 HA PHE 15 HA PHE 15 4.402 -9.984 -9.984
114 1HB PHE 15 2HB PHE 15 1.877 -10.659 -10.659
115 2HB PHE 15 1HB PHE 15 3.225 -11.674 -11.674
116 HD1 PHE 15 2HD PHE 15 3.048 -10.694 -10.694
117 HD2 PHE 15 1HD PHE 15 0.337 -12.371 -12.371
118 HE1 PHE 15 2HE PHE 15 1.705 -11.608 -11.608
119 HE2 PHE 15 1HE PHE 15 -0.998 -13.289 -13.289
120 HZ PHE 15 HZ PHE 15 -0.322 -12.912 -12.912
121 H GLN 16 H GLN 16 2.064 -7.800 -7.800
122 HA GLN 16 HA GLN 16 3.796 -7.750 -7.750
123 1HB GLN 16 2HB GLN 16 0.943 -6.660 -6.660
124 2HB GLN 16 1HB GLN 16 1.774 -7.135 -7.135
125 1HG GLN 16 2HG GLN 16 1.940 -9.417 -9.417
126 2HG GLN 16 1HG GLN 16 0.344 -8.771 -8.771
127 1HE2 GLN 16 2HE2 GLN 16 1.396 -10.614 -10.614
128 2HE2 GLN 16 1HE2 GLN 16 2.628 -10.118 -10.118
129 H CYS 17 H CYS 17 2.696 -5.891 -5.891
130 HA CYS 17 HA CYS 17 3.125 -3.214 -3.214
131 1HB CYS 17 2HB CYS 17 2.096 -3.962 -3.962
132 2HB CYS 17 1HB CYS 17 3.695 -4.073 -4.073
133 H LYS 18 H LYS 18 5.188 -5.657 -5.657
134 HA LYS 18 HA LYS 18 7.617 -3.865 -3.865
135 1HB LYS 18 2HB LYS 18 7.186 -5.155 -5.155
136 2HB LYS 18 1HB LYS 18 7.666 -6.593 -6.593
137 1HG LYS 18 2HG LYS 18 9.841 -5.504 -5.504
138 2HG LYS 18 1HG LYS 18 9.357 -4.062 -4.062
139 1HD LYS 18 2HD LYS 18 9.129 -5.409 -5.409
140 2HD LYS 18 1HD LYS 18 9.706 -6.828 -6.828
141 1HE LYS 18 2HE LYS 18 11.261 -4.202 -4.202
142 2HE LYS 18 1HE LYS 18 11.541 -5.693 -5.693
143 1HZ LYS 18 3HZ LYS 18 11.596 -6.352 -6.352
144 2HZ LYS 18 2HZ LYS 18 12.529 -4.945 -4.945
145 3HZ LYS 18 1HZ LYS 18 12.923 -6.315 -6.315
146 H HIS 19 H HIS 19 5.848 -5.854 -5.854
147 HA HIS 19 HA HIS 19 8.205 -6.642 -6.642
148 1HB HIS 19 2HB HIS 19 6.052 -8.567 -8.567
149 2HB HIS 19 1HB HIS 19 7.217 -8.924 -8.924
150 HD1 HIS 19 1HD HIS 19 9.776 -8.442 -8.442
151 HD2 HIS 19 2HD HIS 19 6.971 -9.274 -9.274
152 HE1 HIS 19 1HE HIS 19 10.954 -9.192 -9.192
153 H SER 20 H SER 20 4.645 -6.377 -6.377
154 HA SER 20 HA SER 20 4.712 -6.662 -6.662
155 1HB SER 20 2HB SER 20 2.451 -5.840 -5.840
156 2HB SER 20 1HB SER 20 2.293 -6.392 -6.392
157 HG SER 20 HG SER 20 2.232 -8.310 -8.310
158 H MET 21 H MET 21 6.193 -4.864 -4.864
159 HA MET 21 HA MET 21 5.264 -2.116 -2.116
160 1HB MET 21 2HB MET 21 7.509 -3.430 -3.430
161 2HB MET 21 1HB MET 21 7.206 -1.724 -1.724
162 1HG MET 21 2HG MET 21 8.108 -3.208 -3.208
163 2HG MET 21 1HG MET 21 8.951 -2.006 -2.006
164 1HE MET 21 1HE MET 21 7.368 0.341 0.341
165 2HE MET 21 3HE MET 21 5.732 -0.065 -0.065
166 3HE MET 21 2HE MET 21 6.651 1.175 1.175
167 1HN DNP 22 HN DAP 22 3.308 -2.550 -2.550
168 HA DNP 22 HA DAP 22 2.617 -1.452 -1.452
169 1HB DNP 22 1HB DAP 22 1.187 -3.468 -3.468
170 2HB DNP 22 2HB DAP 22 1.906 -4.406 -4.406
171 1HG DNP 22 1HG DAP 22 3.998 -3.247 -3.247
172 2HG DNP 22 2HG DAP 22 2.963 -4.063 -4.063
173 3HG DNP 22 3HG DAP 22 3.667 -4.867 -4.867
174 H TYR 23 H TYR 23 1.415 -3.531 -3.531
175 HA TYR 23 HA TYR 23 -0.830 -1.686 -1.686
176 1HB TYR 23 2HB TYR 23 0.025 -3.428 -3.428
177 2HB TYR 23 1HB TYR 23 -1.584 -2.973 -2.973
178 HD1 TYR 23 1HD TYR 23 -1.968 -3.880 -3.880
179 HD2 TYR 23 2HD TYR 23 0.248 -5.678 -5.678
180 HE1 TYR 23 1HE TYR 23 -2.306 -6.102 -6.102
181 HE2 TYR 23 2HE TYR 23 -0.082 -7.864 -7.864
182 HH TYR 23 HH TYR 23 -1.020 -8.406 -8.406
183 H ARG 24 H ARG 24 2.116 -2.425 -2.425
184 HA ARG 24 HA ARG 24 2.390 -0.312 -0.312
185 1HB ARG 24 2HB ARG 24 3.521 -2.779 -2.779
186 2HB ARG 24 1HB ARG 24 4.810 -1.715 -1.715
187 1HG ARG 24 2HG ARG 24 3.403 -1.718 -1.718
188 2HG ARG 24 1HG ARG 24 4.923 -2.547 -2.547
189 1HD ARG 24 2HD ARG 24 4.382 0.461 0.461
190 2HD ARG 24 1HD ARG 24 5.385 -0.456 -0.456
191 HE ARG 24 HE ARG 24 5.963 0.140 0.140
192 1HH1 ARG 24 2HH1 ARG 24 6.761 -2.003 -2.003
193 2HH1 ARG 24 1HH1 ARG 24 8.463 -1.742 -1.742
194 1HH2 ARG 24 1HH2 ARG 24 8.111 1.244 1.244
195 2HH2 ARG 24 2HH2 ARG 24 9.289 0.285 0.285
196 H LEU 25 H LEU 25 2.158 0.138 0.138
197 HA LEU 25 HA LEU 25 4.438 2.001 2.001
198 1HB LEU 25 2HB LEU 25 4.053 0.170 0.170
199 2HB LEU 25 1HB LEU 25 2.477 0.683 0.683
200 HG LEU 25 HG LEU 25 3.238 2.875 2.875
201 1HD1 LEU 25 1HD1 LEU 25 6.030 1.659 1.659
202 2HD1 LEU 25 3HD1 LEU 25 5.632 3.166 3.166
203 3HD1 LEU 25 2HD1 LEU 25 5.437 3.031 3.031
204 1HD2 LEU 25 1HD2 LEU 25 4.460 0.455 0.455
205 2HD2 LEU 25 3HD2 LEU 25 2.804 1.027 1.027
206 3HD2 LEU 25 2HD2 LEU 25 4.133 2.013 2.013
207 H SER 26 H SER 26 1.205 1.946 1.946
208 HA SER 26 HA SER 26 0.649 4.553 4.553
209 1HB SER 26 2HB SER 26 -0.282 5.325 5.325
210 2HB SER 26 1HB SER 26 1.468 4.976 4.976
211 HG SER 26 HG SER 26 -0.705 3.541 3.541
212 H PHE 27 H PHE 27 -0.252 1.613 1.613
213 HA PHE 27 HA PHE 27 -3.174 2.227 2.227
214 1HB PHE 27 2HB PHE 27 -2.119 -0.442 -0.442
215 2HB PHE 27 1HB PHE 27 -3.685 -0.030 -0.030
216 HD1 PHE 27 1HD PHE 27 -1.077 1.555 1.555
217 HD2 PHE 27 2HD PHE 27 -3.284 -2.053 -2.053
218 HE1 PHE 27 1HE PHE 27 -0.502 0.822 0.822
219 HE2 PHE 27 2HE PHE 27 -2.675 -2.782 -2.782
220 HZ PHE 27 HZ PHE 27 -1.280 -1.346 -1.346
221 H CYS 28 H CYS 28 -1.088 1.128 1.128
222 HA CYS 28 HA CYS 28 -3.393 1.642 1.642
223 1HB CYS 28 2HB CYS 28 -1.021 0.297 0.297
224 2HB CYS 28 1HB CYS 28 -2.706 -0.137 -0.137
225 H ARG 29 H ARG 29 -2.182 3.619 3.619
226 HA ARG 29 HA ARG 29 0.028 4.915 4.915
227 1HB ARG 29 2HB ARG 29 -2.815 5.594 5.594
228 2HB ARG 29 1HB ARG 29 -1.750 6.899 6.899
229 1HG ARG 29 2HG ARG 29 -0.249 6.342 6.342
230 2HG ARG 29 1HG ARG 29 -1.248 4.962 4.962
231 1HD ARG 29 2HD ARG 29 -2.605 6.141 6.141
232 2HD ARG 29 1HD ARG 29 -2.903 7.342 7.342
233 HE ARG 29 HE ARG 29 -0.492 8.220 8.220
234 1HH1 ARG 29 1HH2 ARG 29 -3.397 8.064 8.064
235 2HH1 ARG 29 2HH2 ARG 29 -2.987 8.570 8.570
236 1HH2 ARG 29 2HH1 ARG 29 0.490 8.325 8.325
237 2HH2 ARG 29 1HH1 ARG 29 -0.578 8.661 8.661
238 H LYS 30 H LYS 30 -2.586 4.907 4.907
239 HA LYS 30 HA LYS 30 -0.783 6.060 6.060
240 1HB LYS 30 2HB LYS 30 -3.799 5.563 5.563
241 2HB LYS 30 1HB LYS 30 -2.870 6.396 6.396
242 1HG LYS 30 2HG LYS 30 -2.950 7.260 7.260
243 2HG LYS 30 1HG LYS 30 -4.098 7.841 7.841
244 1HD LYS 30 2HD LYS 30 -1.980 8.665 8.665
245 2HD LYS 30 1HD LYS 30 -0.993 8.070 8.070
246 1HE LYS 30 2HE LYS 30 -1.484 10.554 10.554
247 2HE LYS 30 1HE LYS 30 -1.708 9.684 9.684
248 1HZ LYS 30 3HZ LYS 30 -4.136 9.656 9.656
249 2HZ LYS 30 2HZ LYS 30 -3.595 11.245 11.245
250 3HZ LYS 30 1HZ LYS 30 -3.830 10.190 10.190
251 H THR 31 H THR 31 -3.165 3.766 3.766
252 HA THR 31 HA THR 31 -3.301 2.066 2.066
253 HB THR 31 HB THR 31 -3.070 1.465 1.465
254 HG1 THR 31 1HG THR 31 -4.800 2.717 2.717
255 1HG2 THR 31 1HG2 THR 31 -4.197 -0.218 -0.218
256 2HG2 THR 31 3HG2 THR 31 -4.288 -0.552 -0.552
257 3HG2 THR 31 2HG2 THR 31 -2.730 -0.661 -0.661
258 H CYS 32 H CYS 32 -0.542 2.350 2.350
259 HA CYS 32 HA CYS 32 0.934 0.529 0.529
260 1HB CYS 32 2HB CYS 32 0.675 -0.496 -0.496
261 2HB CYS 32 1HB CYS 32 1.429 0.910 0.910
262 H GLY 33 H GLY 33 1.110 3.202 3.202
263 1HA GLY 33 2HA GLY 33 1.955 5.414 5.414
264 2HA GLY 33 1HA GLY 33 3.121 4.483 4.483
265 H THR 34 H THR 34 2.012 4.588 4.588
266 HA THR 34 HA THR 34 4.781 4.196 4.196
267 HB THR 34 HB THR 34 3.745 3.341 3.341
268 HG1 THR 34 1HG THR 34 2.157 4.495 4.495
269 1HG2 THR 34 2HG2 THR 34 3.096 1.889 1.889
270 2HG2 THR 34 1HG2 THR 34 1.583 2.762 2.762
271 3HG2 THR 34 3HG2 THR 34 1.970 1.776 1.776
272 H CYS 35 HN CYS 35 2.260 6.690 6.690
273 HA CYS 35 HA CYS 35 3.915 8.457 8.457
274 1HB CYS 35 2HB CYS 35 1.887 9.358 9.358
275 2HB CYS 35 1HB CYS 35 1.792 7.637 7.637
Start of MODEL 17
1 1H ARG 1 2H ARG 1 0.071 14.612 14.612
2 2H ARG 1 1H ARG 1 1.140 15.904 15.904
3 3H ARG 1 3H ARG 1 1.637 14.565 14.565
4 HA ARG 1 HA ARG 1 0.953 15.515 15.515
5 1HB ARG 1 2HB ARG 1 -0.003 17.878 17.878
6 2HB ARG 1 1HB ARG 1 1.563 17.663 17.663
7 1HG ARG 1 2HG ARG 1 0.371 19.108 19.108
8 2HG ARG 1 1HG ARG 1 0.386 17.607 17.607
9 1HD ARG 1 2HD ARG 1 -1.974 17.181 17.181
10 2HD ARG 1 1HD ARG 1 -1.975 18.451 18.451
11 HE ARG 1 HE ARG 1 -1.663 20.105 20.105
12 1HH1 ARG 1 1HH2 ARG 1 -1.027 19.005 19.005
13 2HH1 ARG 1 2HH2 ARG 1 -2.471 18.543 18.543
14 1HH2 ARG 1 1HH1 ARG 1 -4.262 18.622 18.622
15 2HH2 ARG 1 2HH1 ARG 1 -4.473 18.283 18.283
16 H SER 2 H SER 2 -0.553 13.575 13.575
17 HA SER 2 HA SER 2 -2.970 13.779 13.779
18 1HB SER 2 2HB SER 2 -3.870 14.831 14.831
19 2HB SER 2 1HB SER 2 -3.349 13.333 13.333
20 HG SER 2 HG SER 2 -5.555 13.713 13.713
21 H CYS 3 H CYS 3 -3.585 11.708 11.708
22 HA CYS 3 HA CYS 3 -1.915 9.585 9.585
23 1HB CYS 3 2HB CYS 3 -2.455 9.980 9.980
24 2HB CYS 3 1HB CYS 3 -1.540 8.690 8.690
25 H ILE 4 H ILE 4 -3.723 8.529 8.529
26 HA ILE 4 HA ILE 4 -5.945 7.874 7.874
27 HB ILE 4 HB ILE 4 -7.544 8.217 8.217
28 1HG1 ILE 4 2HG1 ILE 4 -6.535 9.298 9.298
29 2HG1 ILE 4 1HG1 ILE 4 -5.182 8.279 8.279
30 1HG2 ILE 4 3HG2 ILE 4 -6.916 10.265 10.265
31 2HG2 ILE 4 2HG2 ILE 4 -5.624 10.581 10.581
32 3HG2 ILE 4 1HG2 ILE 4 -7.300 10.624 10.624
33 1HD1 ILE 4 3HD1 ILE 4 -6.717 6.296 6.296
34 2HD1 ILE 4 2HD1 ILE 4 -8.061 7.326 7.326
35 3HD1 ILE 4 1HD1 ILE 4 -6.785 7.017 7.017
36 H ASP 5 H ASP 5 -6.245 5.796 5.796
37 HA ASP 5 HA ASP 5 -4.692 3.939 3.939
38 1HB ASP 5 2HB ASP 5 -6.795 3.231 3.231
39 2HB ASP 5 1HB ASP 5 -5.454 2.237 2.237
40 H THR 6 H THR 6 -5.830 2.162 2.162
41 HA THR 6 HA THR 6 -8.703 2.385 2.385
42 HB THR 6 HB THR 6 -7.539 3.981 3.981
43 HG1 THR 6 1HG THR 6 -9.169 3.224 3.224
44 1HG2 THR 6 1HG2 THR 6 -5.351 2.698 2.698
45 2HG2 THR 6 3HG2 THR 6 -6.232 1.440 1.440
46 3HG2 THR 6 2HG2 THR 6 -6.094 3.044 3.044
47 H ILE 7 H ILE 7 -6.864 0.800 0.800
48 HA ILE 7 HA ILE 7 -7.171 -1.807 -1.807
49 HB ILE 7 HB ILE 7 -4.794 -0.847 -0.847
50 1HG1 ILE 7 2HG1 ILE 7 -3.661 -2.847 -2.847
51 2HG1 ILE 7 1HG1 ILE 7 -5.253 -3.444 -3.444
52 1HG2 ILE 7 1HG2 ILE 7 -4.974 0.231 0.231
53 2HG2 ILE 7 3HG2 ILE 7 -5.041 -1.363 -1.363
54 3HG2 ILE 7 2HG2 ILE 7 -3.619 -0.856 -0.856
55 1HD1 ILE 7 1HD1 ILE 7 -5.756 -3.472 -3.472
56 2HD1 ILE 7 3HD1 ILE 7 -4.134 -2.886 -2.886
57 3HD1 ILE 7 2HD1 ILE 7 -4.379 -4.481 -4.481
58 HA PRO 8 HA PRO 8 -8.621 -3.103 -3.103
59 1HB PRO 8 2HB PRO 8 -8.227 -5.745 -5.745
60 2HB PRO 8 1HB PRO 8 -9.567 -5.008 -5.008
61 1HG PRO 8 2HG PRO 8 -6.705 -5.493 -5.493
62 2HG PRO 8 1HG PRO 8 -8.216 -6.129 -6.129
63 1HD PRO 8 2HD PRO 8 -7.298 -3.862 -3.862
64 2HD PRO 8 1HD PRO 8 -9.017 -3.909 -3.909
65 H LYS 9 H LYS 9 -7.320 -2.438 -2.438
66 HA LYS 9 HA LYS 9 -4.518 -2.383 -2.383
67 1HB LYS 9 2HB LYS 9 -5.980 -1.311 -1.311
68 2HB LYS 9 1HB LYS 9 -6.422 -2.877 -2.877
69 1HG LYS 9 2HG LYS 9 -3.471 -2.314 -2.314
70 2HG LYS 9 1HG LYS 9 -4.400 -1.461 -1.461
71 1HD LYS 9 2HD LYS 9 -4.920 -3.437 -3.437
72 2HD LYS 9 1HD LYS 9 -4.715 -4.460 -4.460
73 1HE LYS 9 2HE LYS 9 -2.788 -4.655 -4.655
74 2HE LYS 9 1HE LYS 9 -2.301 -4.257 -4.257
75 1HZ LYS 9 3HZ LYS 9 -2.879 -1.846 -1.846
76 2HZ LYS 9 2HZ LYS 9 -1.821 -2.755 -2.755
77 3HZ LYS 9 1HZ LYS 9 -1.407 -2.385 -2.385
78 H SER 10 H SER 10 -6.759 -4.782 -4.782
79 HA SER 10 HA SER 10 -5.612 -6.868 -6.868
80 1HB SER 10 2HB SER 10 -7.131 -7.451 -7.451
81 2HB SER 10 1HB SER 10 -7.416 -8.110 -8.110
82 HG SER 10 HG SER 10 -8.832 -6.522 -6.522
83 H ARG 11 H ARG 11 -5.136 -5.921 -5.921
84 HA ARG 11 HA ARG 11 -3.260 -8.075 -8.075
85 1HB ARG 11 2HB ARG 11 -4.791 -6.411 -6.411
86 2HB ARG 11 1HB ARG 11 -3.291 -5.542 -5.542
87 1HG ARG 11 2HG ARG 11 -3.127 -7.060 -7.060
88 2HG ARG 11 1HG ARG 11 -2.037 -7.662 -7.662
89 1HD ARG 11 2HD ARG 11 -3.974 -9.257 -9.257
90 2HD ARG 11 1HD ARG 11 -4.829 -8.702 -8.702
91 HE ARG 11 HE ARG 11 -2.139 -10.077 -10.077
92 1HH1 ARG 11 1HH2 ARG 11 -2.571 -8.907 -8.907
93 2HH1 ARG 11 2HH2 ARG 11 -3.520 -9.994 -9.994
94 1HH2 ARG 11 2HH1 ARG 11 -4.456 -11.770 -11.770
95 2HH2 ARG 11 1HH1 ARG 11 -4.649 -11.787 -11.787
96 H CYS 12 H CYS 12 -3.272 -4.798 -4.798
97 HA CYS 12 HA CYS 12 -0.389 -4.392 -4.392
98 1HB CYS 12 2HB CYS 12 -2.425 -2.716 -2.716
99 2HB CYS 12 1HB CYS 12 -0.953 -2.192 -2.192
100 H THR 13 H THR 13 -0.761 -6.520 -6.520
101 HA THR 13 HA THR 13 -0.527 -6.061 -6.061
102 HB THR 13 HB THR 13 -1.851 -8.053 -8.053
103 HG1 THR 13 1HG THR 13 0.001 -9.629 -9.629
104 1HG2 THR 13 3HG2 THR 13 0.608 -8.944 -8.944
105 2HG2 THR 13 2HG2 THR 13 -0.887 -9.848 -9.848
106 3HG2 THR 13 1HG2 THR 13 -0.907 -8.381 -8.381
107 H ALA 14 H ALA 14 1.438 -7.105 -7.105
108 HA ALA 14 HA ALA 14 3.746 -5.925 -5.925
109 1HB ALA 14 2HB ALA 14 3.568 -8.120 -8.120
110 2HB ALA 14 1HB ALA 14 5.006 -7.171 -7.171
111 3HB ALA 14 3HB ALA 14 3.566 -6.394 -6.394
112 H PHE 15 H PHE 15 2.246 -8.737 -8.737
113 HA PHE 15 HA PHE 15 4.571 -10.251 -10.251
114 1HB PHE 15 2HB PHE 15 1.870 -10.932 -10.932
115 2HB PHE 15 1HB PHE 15 3.068 -11.972 -11.972
116 HD1 PHE 15 1HD PHE 15 3.195 -10.447 -10.447
117 HD2 PHE 15 2HD PHE 15 -0.030 -11.886 -11.886
118 HE1 PHE 15 1HE PHE 15 1.802 -10.693 -10.693
119 HE2 PHE 15 2HE PHE 15 -1.403 -12.129 -12.129
120 HZ PHE 15 HZ PHE 15 -0.499 -11.530 -11.530
121 H GLN 16 H GLN 16 2.499 -7.834 -7.834
122 HA GLN 16 HA GLN 16 3.631 -8.054 -8.054
123 1HB GLN 16 2HB GLN 16 1.034 -6.736 -6.736
124 2HB GLN 16 1HB GLN 16 1.527 -7.140 -7.140
125 1HG GLN 16 2HG GLN 16 1.469 -9.539 -9.539
126 2HG GLN 16 1HG GLN 16 -0.067 -8.742 -8.742
127 1HE2 GLN 16 2HE2 GLN 16 1.507 -9.998 -9.998
128 2HE2 GLN 16 1HE2 GLN 16 2.583 -9.286 -9.286
129 H CYS 17 H CYS 17 2.314 -5.749 -5.749
130 HA CYS 17 HA CYS 17 3.027 -3.302 -3.302
131 1HB CYS 17 2HB CYS 17 1.820 -3.822 -3.822
132 2HB CYS 17 1HB CYS 17 3.373 -4.003 -4.003
133 H LYS 18 H LYS 18 5.060 -5.560 -5.560
134 HA LYS 18 HA LYS 18 7.406 -3.755 -3.755
135 1HB LYS 18 2HB LYS 18 6.829 -4.854 -4.854
136 2HB LYS 18 1HB LYS 18 7.150 -6.416 -6.416
137 1HG LYS 18 2HG LYS 18 9.575 -5.414 -5.414
138 2HG LYS 18 1HG LYS 18 9.133 -4.211 -4.211
139 1HD LYS 18 2HD LYS 18 8.989 -7.224 -7.224
140 2HD LYS 18 1HD LYS 18 10.305 -6.222 -6.222
141 1HE LYS 18 2HE LYS 18 8.827 -5.043 -5.043
142 2HE LYS 18 1HE LYS 18 7.390 -5.770 -5.770
143 1HZ LYS 18 3HZ LYS 18 9.128 -7.826 -7.826
144 2HZ LYS 18 2HZ LYS 18 8.984 -6.784 -6.784
145 3HZ LYS 18 1HZ LYS 18 7.599 -7.471 -7.471
146 H HIS 19 H HIS 19 6.018 -6.309 -6.309
147 HA HIS 19 HA HIS 19 8.610 -6.899 -6.899
148 1HB HIS 19 2HB HIS 19 6.336 -8.880 -8.880
149 2HB HIS 19 1HB HIS 19 7.806 -9.226 -9.226
150 HD1 HIS 19 1HD HIS 19 10.036 -8.300 -8.300
151 HD2 HIS 19 2HD HIS 19 6.692 -9.784 -9.784
152 HE1 HIS 19 1HE HIS 19 10.707 -9.059 -9.059
153 H SER 20 H SER 20 5.205 -6.843 -6.843
154 HA SER 20 HA SER 20 5.173 -6.685 -6.685
155 1HB SER 20 2HB SER 20 2.965 -6.932 -6.932
156 2HB SER 20 1HB SER 20 2.859 -7.052 -7.052
157 HG SER 20 HG SER 20 4.862 -8.607 -8.607
158 H MET 21 H MET 21 6.060 -4.578 -4.578
159 HA MET 21 HA MET 21 4.679 -2.251 -2.251
160 1HB MET 21 2HB MET 21 6.459 -2.757 -2.757
161 2HB MET 21 1HB MET 21 5.737 -1.190 -1.190
162 1HG MET 21 2HG MET 21 6.797 -1.526 -1.526
163 2HG MET 21 1HG MET 21 7.839 -2.610 -2.610
164 1HE MET 21 2HE MET 21 6.081 0.668 0.668
165 2HE MET 21 1HE MET 21 6.963 1.135 1.135
166 3HE MET 21 3HE MET 21 7.348 1.850 1.850
167 1HN DNP 22 HN DAP 22 3.711 -4.612 -4.612
168 HA DNP 22 HA DAP 22 2.112 -2.907 -2.907
169 1HB DNP 22 1HB DAP 22 0.701 -4.877 -4.877
170 2HB DNP 22 2HB DAP 22 1.334 -5.737 -5.737
171 1HG DNP 22 1HG DAP 22 2.356 -5.690 -5.690
172 2HG DNP 22 2HG DAP 22 3.003 -6.498 -6.498
173 3HG DNP 22 3HG DAP 22 3.503 -4.904 -4.904
174 H TYR 23 H TYR 23 1.898 -3.091 -3.091
175 HA TYR 23 HA TYR 23 -0.877 -2.067 -2.067
176 1HB TYR 23 2HB TYR 23 0.251 -3.622 -3.622
177 2HB TYR 23 1HB TYR 23 -1.429 -3.329 -3.329
178 HD1 TYR 23 1HD TYR 23 -2.269 -4.232 -4.232
179 HD2 TYR 23 2HD TYR 23 1.154 -5.716 -5.716
180 HE1 TYR 23 1HE TYR 23 -2.500 -6.334 -6.334
181 HE2 TYR 23 2HE TYR 23 0.937 -7.838 -7.838
182 HH TYR 23 HH TYR 23 -0.109 -8.899 -8.899
183 H ARG 24 H ARG 24 1.798 -2.319 -2.319
184 HA ARG 24 HA ARG 24 1.700 0.097 0.097
185 1HB ARG 24 2HB ARG 24 2.985 -1.568 -1.568
186 2HB ARG 24 1HB ARG 24 3.735 -2.027 -2.027
187 1HG ARG 24 2HG ARG 24 5.503 -1.106 -1.106
188 2HG ARG 24 1HG ARG 24 4.724 0.424 0.424
189 1HD ARG 24 2HD ARG 24 4.373 0.885 0.885
190 2HD ARG 24 1HD ARG 24 4.182 -0.827 -0.827
191 HE ARG 24 HE ARG 24 6.543 -1.130 -1.130
192 1HH1 ARG 24 1HH2 ARG 24 7.388 1.515 1.515
193 2HH1 ARG 24 2HH2 ARG 24 8.010 2.302 2.302
194 1HH2 ARG 24 2HH1 ARG 24 6.289 -0.067 -0.067
195 2HH2 ARG 24 1HH1 ARG 24 7.287 1.334 1.334
196 H LEU 25 H LEU 25 2.657 -0.339 -0.339
197 HA LEU 25 HA LEU 25 4.309 1.953 1.953
198 1HB LEU 25 2HB LEU 25 4.064 0.189 0.189
199 2HB LEU 25 1HB LEU 25 2.459 0.442 0.442
200 HG LEU 25 HG LEU 25 3.210 2.788 2.788
201 1HD1 LEU 25 2HD1 LEU 25 5.362 2.926 2.926
202 2HD1 LEU 25 1HD1 LEU 25 5.987 1.563 1.563
203 3HD1 LEU 25 3HD1 LEU 25 5.621 3.079 3.079
204 1HD2 LEU 25 2HD2 LEU 25 4.519 0.294 0.294
205 2HD2 LEU 25 1HD2 LEU 25 2.865 0.795 0.795
206 3HD2 LEU 25 3HD2 LEU 25 4.199 1.777 1.777
207 H SER 26 H SER 26 1.108 1.681 1.681
208 HA SER 26 HA SER 26 0.400 4.245 4.245
209 1HB SER 26 2HB SER 26 1.067 3.968 3.968
210 2HB SER 26 1HB SER 26 -0.459 4.824 4.824
211 HG SER 26 HG SER 26 2.003 5.228 5.228
212 H PHE 27 H PHE 27 -0.387 1.427 1.427
213 HA PHE 27 HA PHE 27 -3.291 1.824 1.824
214 1HB PHE 27 2HB PHE 27 -2.078 -0.692 -0.692
215 2HB PHE 27 1HB PHE 27 -3.566 -0.497 -0.497
216 HD1 PHE 27 2HD PHE 27 0.090 0.122 0.122
217 HD2 PHE 27 1HD PHE 27 -3.692 -1.201 -1.201
218 HE1 PHE 27 2HE PHE 27 1.107 -0.419 -0.419
219 HE2 PHE 27 1HE PHE 27 -2.657 -1.758 -1.758
220 HZ PHE 27 HZ PHE 27 -0.260 -1.376 -1.376
221 H CYS 28 H CYS 28 -1.049 1.079 1.079
222 HA CYS 28 HA CYS 28 -3.230 1.693 1.693
223 1HB CYS 28 2HB CYS 28 -0.726 0.506 0.506
224 2HB CYS 28 1HB CYS 28 -2.391 0.016 0.016
225 H ARG 29 H ARG 29 -2.223 3.877 3.877
226 HA ARG 29 HA ARG 29 0.061 5.195 5.195
227 1HB ARG 29 2HB ARG 29 -2.736 6.088 6.088
228 2HB ARG 29 1HB ARG 29 -1.675 7.220 7.220
229 1HG ARG 29 2HG ARG 29 -1.623 7.800 7.800
230 2HG ARG 29 1HG ARG 29 -0.141 6.897 6.897
231 1HD ARG 29 2HD ARG 29 -1.168 4.885 4.885
232 2HD ARG 29 1HD ARG 29 -2.706 5.658 5.658
233 HE ARG 29 HE ARG 29 -0.220 6.244 6.244
234 1HH1 ARG 29 2HH1 ARG 29 -1.046 8.545 8.545
235 2HH1 ARG 29 1HH1 ARG 29 -2.455 8.535 8.535
236 1HH2 ARG 29 1HH2 ARG 29 -3.102 5.179 5.179
237 2HH2 ARG 29 2HH2 ARG 29 -3.776 6.452 6.452
238 H LYS 30 H LYS 30 -2.877 5.473 5.473
239 HA LYS 30 HA LYS 30 -1.392 6.552 6.552
240 1HB LYS 30 2HB LYS 30 -4.294 5.694 5.694
241 2HB LYS 30 1HB LYS 30 -3.505 6.544 6.544
242 1HG LYS 30 2HG LYS 30 -2.808 8.303 8.303
243 2HG LYS 30 1HG LYS 30 -3.677 7.444 7.444
244 1HD LYS 30 2HD LYS 30 -5.705 8.262 8.262
245 2HD LYS 30 1HD LYS 30 -5.456 7.921 7.921
246 1HE LYS 30 2HE LYS 30 -4.048 10.232 10.232
247 2HE LYS 30 1HE LYS 30 -5.583 10.454 10.454
248 1HZ LYS 30 3HZ LYS 30 -3.872 9.055 9.055
249 2HZ LYS 30 2HZ LYS 30 -3.031 10.406 10.406
250 3HZ LYS 30 1HZ LYS 30 -4.536 10.600 10.600
251 H THR 31 H THR 31 -3.348 3.838 3.838
252 HA THR 31 HA THR 31 -3.366 2.198 2.198
253 HB THR 31 HB THR 31 -3.206 1.660 1.660
254 HG1 THR 31 1HG THR 31 -5.073 2.611 2.611
255 1HG2 THR 31 3HG2 THR 31 -4.039 -0.230 -0.230
256 2HG2 THR 31 2HG2 THR 31 -4.104 -0.489 -0.489
257 3HG2 THR 31 1HG2 THR 31 -2.545 -0.478 -0.478
258 H CYS 32 H CYS 32 -0.644 2.590 2.590
259 HA CYS 32 HA CYS 32 0.979 0.826 0.826
260 1HB CYS 32 2HB CYS 32 1.176 1.417 1.417
261 2HB CYS 32 1HB CYS 32 2.640 1.092 1.092
262 H GLY 33 H GLY 33 0.855 3.804 3.804
263 1HA GLY 33 2HA GLY 33 1.538 5.958 5.958
264 2HA GLY 33 1HA GLY 33 2.655 5.102 5.102
265 H THR 34 H THR 34 1.932 5.024 5.024
266 HA THR 34 HA THR 34 4.762 5.636 5.636
267 HB THR 34 HB THR 34 3.838 3.734 3.734
268 HG1 THR 34 1HG THR 34 3.073 3.279 3.279
269 1HG2 THR 34 3HG2 THR 34 5.413 3.246 3.246
270 2HG2 THR 34 2HG2 THR 34 5.465 2.274 2.274
271 3HG2 THR 34 1HG2 THR 34 6.151 3.890 3.890
272 H CYS 35 HN CYS 35 2.394 7.351 7.351
273 HA CYS 35 HA CYS 35 2.022 7.807 7.807
274 1HB CYS 35 2HB CYS 35 0.666 9.663 9.663
275 2HB CYS 35 1HB CYS 35 0.198 8.058 8.058
Start of MODEL 18
1 1H ARG 1 3H ARG 1 -2.263 18.171 18.171
2 2H ARG 1 2H ARG 1 -0.678 18.770 18.770
3 3H ARG 1 1H ARG 1 -1.669 18.798 18.798
4 HA ARG 1 HA ARG 1 -1.005 16.759 16.759
5 1HB ARG 1 2HB ARG 1 0.655 15.551 15.551
6 2HB ARG 1 1HB ARG 1 1.187 17.115 17.115
7 1HG ARG 1 2HG ARG 1 0.682 18.174 18.174
8 2HG ARG 1 1HG ARG 1 -0.196 16.754 16.754
9 1HD ARG 1 2HD ARG 1 1.838 15.434 15.434
10 2HD ARG 1 1HD ARG 1 2.764 16.653 16.653
11 HE ARG 1 HE ARG 1 3.120 16.694 16.694
12 1HH1 ARG 1 1HH2 ARG 1 2.881 19.384 19.384
13 2HH1 ARG 1 2HH2 ARG 1 1.773 20.156 20.156
14 1HH2 ARG 1 1HH1 ARG 1 0.597 16.982 16.982
15 2HH2 ARG 1 2HH1 ARG 1 0.386 18.674 18.674
16 H SER 2 H SER 2 -2.154 14.829 14.829
17 HA SER 2 HA SER 2 -3.405 14.006 14.006
18 1HB SER 2 2HB SER 2 -5.049 14.214 14.214
19 2HB SER 2 1HB SER 2 -5.646 14.008 14.008
20 HG SER 2 HG SER 2 -5.428 16.276 16.276
21 H CYS 3 H CYS 3 -2.708 11.914 11.914
22 HA CYS 3 HA CYS 3 -2.763 10.115 10.115
23 1HB CYS 3 2HB CYS 3 -0.606 10.678 10.678
24 2HB CYS 3 1HB CYS 3 -0.846 8.997 8.997
25 H ILE 4 H ILE 4 -4.538 8.859 8.859
26 HA ILE 4 HA ILE 4 -5.219 7.897 7.897
27 HB ILE 4 HB ILE 4 -7.600 7.905 7.905
28 1HG1 ILE 4 2HG1 ILE 4 -8.070 9.400 9.400
29 2HG1 ILE 4 1HG1 ILE 4 -6.389 9.217 9.217
30 1HG2 ILE 4 3HG2 ILE 4 -6.139 10.573 10.573
31 2HG2 ILE 4 2HG2 ILE 4 -7.866 10.378 10.378
32 3HG2 ILE 4 1HG2 ILE 4 -6.743 9.822 9.822
33 1HD1 ILE 4 2HD1 ILE 4 -8.391 6.936 6.936
34 2HD1 ILE 4 1HD1 ILE 4 -7.849 7.637 7.637
35 3HD1 ILE 4 3HD1 ILE 4 -6.734 6.734 6.734
36 H ASP 5 H ASP 5 -6.230 5.809 5.809
37 HA ASP 5 HA ASP 5 -4.803 3.976 3.976
38 1HB ASP 5 2HB ASP 5 -6.871 3.265 3.265
39 2HB ASP 5 1HB ASP 5 -5.602 2.256 2.256
40 H THR 6 H THR 6 -5.868 2.329 2.329
41 HA THR 6 HA THR 6 -8.775 2.605 2.605
42 HB THR 6 HB THR 6 -7.639 4.133 4.133
43 HG1 THR 6 1HG THR 6 -8.643 1.651 1.651
44 1HG2 THR 6 1HG2 THR 6 -6.157 1.630 1.630
45 2HG2 THR 6 3HG2 THR 6 -6.079 3.223 3.223
46 3HG2 THR 6 2HG2 THR 6 -5.390 2.958 2.958
47 H ILE 7 H ILE 7 -6.926 0.890 0.890
48 HA ILE 7 HA ILE 7 -7.415 -1.676 -1.676
49 HB ILE 7 HB ILE 7 -5.029 -0.828 -0.828
50 1HG1 ILE 7 2HG1 ILE 7 -3.893 -2.830 -2.830
51 2HG1 ILE 7 1HG1 ILE 7 -5.502 -3.391 -3.391
52 1HG2 ILE 7 2HG2 ILE 7 -5.020 0.353 0.353
53 2HG2 ILE 7 1HG2 ILE 7 -5.122 -1.186 -1.186
54 3HG2 ILE 7 3HG2 ILE 7 -3.732 -0.808 -0.808
55 1HD1 ILE 7 3HD1 ILE 7 -6.074 -3.306 -3.306
56 2HD1 ILE 7 2HD1 ILE 7 -4.436 -2.777 -2.777
57 3HD1 ILE 7 1HD1 ILE 7 -4.729 -4.382 -4.382
58 HA PRO 8 HA PRO 8 -8.559 -3.070 -3.070
59 1HB PRO 8 2HB PRO 8 -8.262 -5.718 -5.718
60 2HB PRO 8 1HB PRO 8 -9.657 -4.918 -4.918
61 1HG PRO 8 2HG PRO 8 -6.924 -5.471 -5.471
62 2HG PRO 8 1HG PRO 8 -8.503 -6.038 -6.038
63 1HD PRO 8 2HD PRO 8 -7.565 -3.789 -3.789
64 2HD PRO 8 1HD PRO 8 -9.258 -3.793 -3.793
65 H LYS 9 H LYS 9 -7.175 -2.748 -2.748
66 HA LYS 9 HA LYS 9 -4.396 -2.665 -2.665
67 1HB LYS 9 2HB LYS 9 -5.892 -1.766 -1.766
68 2HB LYS 9 1HB LYS 9 -5.987 -3.403 -3.403
69 1HG LYS 9 2HG LYS 9 -3.250 -2.421 -2.421
70 2HG LYS 9 1HG LYS 9 -4.089 -1.646 -1.646
71 1HD LYS 9 2HD LYS 9 -4.174 -3.763 -3.763
72 2HD LYS 9 1HD LYS 9 -3.606 -4.599 -4.599
73 1HE LYS 9 2HE LYS 9 -1.682 -4.095 -4.095
74 2HE LYS 9 1HE LYS 9 -1.420 -3.447 -3.447
75 1HZ LYS 9 1HZ LYS 9 -2.834 -1.532 -1.532
76 2HZ LYS 9 3HZ LYS 9 -1.441 -2.011 -2.011
77 3HZ LYS 9 2HZ LYS 9 -1.353 -1.337 -1.337
78 H SER 10 H SER 10 -6.613 -5.121 -5.121
79 HA SER 10 HA SER 10 -5.217 -7.143 -7.143
80 1HB SER 10 2HB SER 10 -7.006 -7.827 -7.827
81 2HB SER 10 1HB SER 10 -7.139 -8.460 -8.460
82 HG SER 10 HG SER 10 -8.699 -6.969 -6.969
83 H ARG 11 H ARG 11 -5.120 -5.956 -5.956
84 HA ARG 11 HA ARG 11 -3.370 -8.020 -8.020
85 1HB ARG 11 2HB ARG 11 -5.148 -6.401 -6.401
86 2HB ARG 11 1HB ARG 11 -3.809 -5.278 -5.278
87 1HG ARG 11 2HG ARG 11 -3.825 -6.423 -6.423
88 2HG ARG 11 1HG ARG 11 -2.422 -6.892 -6.892
89 1HD ARG 11 2HD ARG 11 -3.544 -8.978 -8.978
90 2HD ARG 11 1HD ARG 11 -4.985 -8.529 -8.529
91 HE ARG 11 HE ARG 11 -2.276 -8.868 -8.868
92 1HH1 ARG 11 1HH2 ARG 11 -4.585 -8.014 -8.014
93 2HH1 ARG 11 2HH2 ARG 11 -5.101 -9.459 -9.459
94 1HH2 ARG 11 2HH1 ARG 11 -3.320 -11.394 -11.394
95 2HH2 ARG 11 1HH1 ARG 11 -4.330 -11.574 -11.574
96 H CYS 12 H CYS 12 -3.143 -4.887 -4.887
97 HA CYS 12 HA CYS 12 -0.172 -4.900 -4.900
98 1HB CYS 12 2HB CYS 12 -2.160 -2.767 -2.767
99 2HB CYS 12 1HB CYS 12 -0.891 -2.524 -2.524
100 H THR 13 H THR 13 -1.195 -6.777 -6.777
101 HA THR 13 HA THR 13 -1.218 -6.265 -6.265
102 HB THR 13 HB THR 13 -2.165 -8.409 -8.409
103 HG1 THR 13 1HG THR 13 -0.181 -9.775 -9.775
104 1HG2 THR 13 2HG2 THR 13 0.573 -8.984 -8.984
105 2HG2 THR 13 1HG2 THR 13 -0.799 -10.098 -10.098
106 3HG2 THR 13 3HG2 THR 13 -0.914 -8.624 -8.624
107 H ALA 14 H ALA 14 0.599 -7.114 -7.114
108 HA ALA 14 HA ALA 14 2.956 -5.599 -5.599
109 1HB ALA 14 2HB ALA 14 2.363 -6.492 -6.492
110 2HB ALA 14 1HB ALA 14 2.700 -8.127 -8.127
111 3HB ALA 14 3HB ALA 14 3.992 -6.946 -6.946
112 H PHE 15 H PHE 15 1.959 -8.602 -8.602
113 HA PHE 15 HA PHE 15 4.480 -9.752 -9.752
114 1HB PHE 15 2HB PHE 15 1.966 -10.533 -10.533
115 2HB PHE 15 1HB PHE 15 3.231 -11.531 -11.531
116 HD1 PHE 15 2HD PHE 15 2.924 -10.111 -10.111
117 HD2 PHE 15 1HD PHE 15 0.293 -12.025 -12.025
118 HE1 PHE 15 2HE PHE 15 1.431 -10.715 -10.715
119 HE2 PHE 15 1HE PHE 15 -1.192 -12.635 -12.635
120 HZ PHE 15 HZ PHE 15 -0.628 -11.977 -11.977
121 H GLN 16 H GLN 16 2.228 -7.607 -7.607
122 HA GLN 16 HA GLN 16 3.904 -7.734 -7.734
123 1HB GLN 16 2HB GLN 16 1.063 -6.627 -6.627
124 2HB GLN 16 1HB GLN 16 1.909 -7.216 -7.216
125 1HG GLN 16 2HG GLN 16 1.925 -9.386 -9.386
126 2HG GLN 16 1HG GLN 16 0.345 -8.671 -8.671
127 1HE2 GLN 16 2HE2 GLN 16 1.590 -10.641 -10.641
128 2HE2 GLN 16 1HE2 GLN 16 2.751 -10.144 -10.144
129 H CYS 17 H CYS 17 2.691 -5.757 -5.757
130 HA CYS 17 HA CYS 17 3.055 -3.111 -3.111
131 1HB CYS 17 2HB CYS 17 2.139 -3.871 -3.871
132 2HB CYS 17 1HB CYS 17 3.758 -4.066 -4.066
133 H LYS 18 H LYS 18 5.284 -5.419 -5.419
134 HA LYS 18 HA LYS 18 7.527 -3.487 -3.487
135 1HB LYS 18 2HB LYS 18 7.276 -4.500 -4.500
136 2HB LYS 18 1HB LYS 18 7.855 -5.995 -5.995
137 1HG LYS 18 2HG LYS 18 9.741 -4.774 -4.774
138 2HG LYS 18 1HG LYS 18 9.931 -4.853 -4.853
139 1HD LYS 18 2HD LYS 18 9.237 -2.585 -2.585
140 2HD LYS 18 1HD LYS 18 8.528 -2.419 -2.419
141 1HE LYS 18 2HE LYS 18 11.492 -2.716 -2.716
142 2HE LYS 18 1HE LYS 18 10.684 -1.234 -1.234
143 1HZ LYS 18 3HZ LYS 18 10.038 -3.198 -3.198
144 2HZ LYS 18 2HZ LYS 18 11.713 -3.266 -3.266
145 3HZ LYS 18 1HZ LYS 18 10.970 -1.814 -1.814
146 H HIS 19 H HIS 19 5.916 -5.761 -5.761
147 HA HIS 19 HA HIS 19 8.267 -6.651 -6.651
148 1HB HIS 19 2HB HIS 19 6.066 -8.472 -8.472
149 2HB HIS 19 1HB HIS 19 7.253 -8.937 -8.937
150 HD1 HIS 19 1HD HIS 19 9.789 -8.435 -8.435
151 HD2 HIS 19 2HD HIS 19 6.942 -8.948 -8.948
152 HE1 HIS 19 1HE HIS 19 10.934 -9.025 -9.025
153 H SER 20 H SER 20 4.727 -6.246 -6.246
154 HA SER 20 HA SER 20 4.865 -6.566 -6.566
155 1HB SER 20 2HB SER 20 2.413 -6.184 -6.184
156 2HB SER 20 1HB SER 20 2.542 -6.849 -6.849
157 HG SER 20 HG SER 20 4.242 -8.086 -8.086
158 H MET 21 H MET 21 5.875 -4.578 -4.578
159 HA MET 21 HA MET 21 4.853 -1.977 -1.977
160 1HB MET 21 2HB MET 21 6.079 -1.185 -1.185
161 2HB MET 21 1HB MET 21 7.078 -2.318 -2.318
162 1HG MET 21 2HG MET 21 7.256 -3.610 -3.610
163 2HG MET 21 1HG MET 21 5.542 -3.857 -3.857
164 1HE MET 21 2HE MET 21 3.957 -1.984 -1.984
165 2HE MET 21 1HE MET 21 4.877 -0.511 -0.511
166 3HE MET 21 3HE MET 21 4.370 -0.958 -0.958
167 1HN DNP 22 HN DAP 22 3.441 -4.373 -4.373
168 HA DNP 22 HA DAP 22 2.000 -2.553 -2.553
169 1HB DNP 22 1HB DAP 22 0.424 -4.277 -4.277
170 2HB DNP 22 2HB DAP 22 0.625 -4.978 -4.978
171 1HG DNP 22 1HG DAP 22 1.985 -5.635 -5.635
172 2HG DNP 22 2HG DAP 22 2.183 -6.324 -6.324
173 3HG DNP 22 3HG DAP 22 3.127 -4.983 -4.983
174 H TYR 23 H TYR 23 1.391 -3.584 -3.584
175 HA TYR 23 HA TYR 23 -0.956 -1.745 -1.745
176 1HB TYR 23 2HB TYR 23 -0.219 -3.309 -3.309
177 2HB TYR 23 1HB TYR 23 -1.809 -3.004 -3.004
178 HD1 TYR 23 2HD TYR 23 -2.101 -4.224 -4.224
179 HD2 TYR 23 1HD TYR 23 0.469 -5.526 -5.526
180 HE1 TYR 23 2HE TYR 23 -2.148 -6.510 -6.510
181 HE2 TYR 23 1HE TYR 23 0.423 -7.766 -7.766
182 HH TYR 23 HH TYR 23 -0.077 -9.012 -9.012
183 H ARG 24 H ARG 24 1.906 -2.547 -2.547
184 HA ARG 24 HA ARG 24 2.134 -0.313 -0.313
185 1HB ARG 24 2HB ARG 24 3.440 -2.729 -2.729
186 2HB ARG 24 1HB ARG 24 4.668 -1.584 -1.584
187 1HG ARG 24 2HG ARG 24 3.142 -1.612 -1.612
188 2HG ARG 24 1HG ARG 24 4.711 -2.351 -2.351
189 1HD ARG 24 2HD ARG 24 3.957 0.594 0.594
190 2HD ARG 24 1HD ARG 24 5.090 -0.249 -0.249
191 HE ARG 24 HE ARG 24 5.523 0.456 0.456
192 1HH1 ARG 24 1HH2 ARG 24 7.344 -1.387 -1.387
193 2HH1 ARG 24 2HH2 ARG 24 8.719 -1.033 -1.033
194 1HH2 ARG 24 2HH1 ARG 24 6.699 1.357 1.357
195 2HH2 ARG 24 1HH1 ARG 24 8.309 0.720 0.720
196 H LEU 25 H LEU 25 2.303 -0.164 -0.164
197 HA LEU 25 HA LEU 25 4.421 1.851 1.851
198 1HB LEU 25 2HB LEU 25 4.034 0.509 0.509
199 2HB LEU 25 1HB LEU 25 2.380 0.743 0.743
200 HG LEU 25 HG LEU 25 3.104 3.298 3.298
201 1HD1 LEU 25 1HD1 LEU 25 5.795 1.901 1.901
202 2HD1 LEU 25 3HD1 LEU 25 5.427 3.548 3.548
203 3HD1 LEU 25 2HD1 LEU 25 5.379 3.108 3.108
204 1HD2 LEU 25 2HD2 LEU 25 2.331 1.776 1.776
205 2HD2 LEU 25 1HD2 LEU 25 3.622 2.827 2.827
206 3HD2 LEU 25 3HD2 LEU 25 3.962 1.150 1.150
207 H SER 26 H SER 26 1.185 2.026 2.026
208 HA SER 26 HA SER 26 0.722 4.527 4.527
209 1HB SER 26 2HB SER 26 0.386 4.193 4.193
210 2HB SER 26 1HB SER 26 0.029 5.670 5.670
211 HG SER 26 HG SER 26 2.384 5.005 5.005
212 H PHE 27 H PHE 27 -0.230 1.614 1.614
213 HA PHE 27 HA PHE 27 -3.141 2.319 2.319
214 1HB PHE 27 2HB PHE 27 -2.148 -0.402 -0.402
215 2HB PHE 27 1HB PHE 27 -3.742 0.060 0.060
216 HD1 PHE 27 2HD PHE 27 -1.473 1.791 1.791
217 HD2 PHE 27 1HD PHE 27 -3.199 -2.032 -2.032
218 HE1 PHE 27 2HE PHE 27 -1.015 1.110 1.110
219 HE2 PHE 27 1HE PHE 27 -2.738 -2.697 -2.697
220 HZ PHE 27 HZ PHE 27 -1.641 -1.144 -1.144
221 H CYS 28 H CYS 28 -1.051 1.065 1.065
222 HA CYS 28 HA CYS 28 -3.306 1.686 1.686
223 1HB CYS 28 2HB CYS 28 -0.919 0.293 0.293
224 2HB CYS 28 1HB CYS 28 -2.598 -0.163 -0.163
225 H ARG 29 H ARG 29 -2.211 3.725 3.725
226 HA ARG 29 HA ARG 29 -0.015 5.109 5.109
227 1HB ARG 29 2HB ARG 29 -2.874 5.850 5.850
228 2HB ARG 29 1HB ARG 29 -1.759 6.981 6.981
229 1HG ARG 29 2HG ARG 29 -2.077 7.733 7.733
230 2HG ARG 29 1HG ARG 29 -0.470 7.061 7.061
231 1HD ARG 29 2HD ARG 29 -1.122 5.105 5.105
232 2HD ARG 29 1HD ARG 29 -2.818 5.563 5.563
233 HE ARG 29 HE ARG 29 -0.622 7.037 7.037
234 1HH1 ARG 29 2HH1 ARG 29 -2.132 9.074 9.074
235 2HH1 ARG 29 1HH1 ARG 29 -3.513 8.858 8.858
236 1HH2 ARG 29 1HH2 ARG 29 -3.058 5.323 5.323
237 2HH2 ARG 29 2HH2 ARG 29 -4.078 6.521 6.521
238 H LYS 30 H LYS 30 -2.624 5.181 5.181
239 HA LYS 30 HA LYS 30 -0.716 5.874 5.874
240 1HB LYS 30 2HB LYS 30 -3.752 5.806 5.806
241 2HB LYS 30 1HB LYS 30 -2.721 6.417 6.417
242 1HG LYS 30 2HG LYS 30 -1.683 7.919 7.919
243 2HG LYS 30 1HG LYS 30 -3.167 7.526 7.526
244 1HD LYS 30 2HD LYS 30 -4.491 8.394 8.394
245 2HD LYS 30 1HD LYS 30 -2.995 8.787 8.787
246 1HE LYS 30 2HE LYS 30 -2.402 10.229 10.229
247 2HE LYS 30 1HE LYS 30 -4.083 10.024 10.024
248 1HZ LYS 30 3HZ LYS 30 -4.054 10.736 10.736
249 2HZ LYS 30 2HZ LYS 30 -3.045 11.832 11.832
250 3HZ LYS 30 1HZ LYS 30 -4.671 11.625 11.625
251 H THR 31 H THR 31 -3.071 3.579 3.579
252 HA THR 31 HA THR 31 -3.392 1.895 1.895
253 HB THR 31 HB THR 31 -3.281 1.424 1.424
254 HG1 THR 31 1HG THR 31 -5.103 2.452 2.452
255 1HG2 THR 31 3HG2 THR 31 -2.728 -0.769 -0.769
256 2HG2 THR 31 2HG2 THR 31 -4.220 -0.498 -0.498
257 3HG2 THR 31 1HG2 THR 31 -4.290 -0.658 -0.658
258 H CYS 32 H CYS 32 -0.529 2.192 2.192
259 HA CYS 32 HA CYS 32 0.877 0.265 0.265
260 1HB CYS 32 2HB CYS 32 0.730 -0.673 -0.673
261 2HB CYS 32 1HB CYS 32 1.349 0.820 0.820
262 H GLY 33 H GLY 33 1.179 3.006 3.006
263 1HA GLY 33 2HA GLY 33 2.019 5.141 5.141
264 2HA GLY 33 1HA GLY 33 3.212 4.183 4.183
265 H THR 34 H THR 34 2.036 4.533 4.533
266 HA THR 34 HA THR 34 4.767 4.114 4.114
267 HB THR 34 HB THR 34 3.668 3.553 3.553
268 HG1 THR 34 1HG THR 34 2.291 4.838 4.838
269 1HG2 THR 34 3HG2 THR 34 2.616 2.050 2.050
270 2HG2 THR 34 2HG2 THR 34 1.309 3.209 3.209
271 3HG2 THR 34 1HG2 THR 34 1.566 2.352 2.352
272 H CYS 35 HN CYS 35 2.196 6.578 6.578
273 HA CYS 35 HA CYS 35 4.276 8.644 8.644
274 1HB CYS 35 2HB CYS 35 2.826 9.694 9.694
275 2HB CYS 35 1HB CYS 35 3.503 8.288 8.288
Start of MODEL 19
1 1H ARG 1 2H ARG 1 0.898 16.007 16.007
2 2H ARG 1 1H ARG 1 2.406 16.014 16.014
3 3H ARG 1 3H ARG 1 1.495 17.456 17.456
4 HA ARG 1 HA ARG 1 0.387 16.999 16.999
5 1HB ARG 1 2HB ARG 1 2.316 14.599 14.599
6 2HB ARG 1 1HB ARG 1 1.081 14.660 14.660
7 1HG ARG 1 2HG ARG 1 3.192 15.560 15.560
8 2HG ARG 1 1HG ARG 1 1.949 16.782 16.782
9 1HD ARG 1 2HD ARG 1 2.958 17.851 17.851
10 2HD ARG 1 1HD ARG 1 4.174 16.561 16.561
11 HE ARG 1 HE ARG 1 3.910 18.411 18.411
12 1HH1 ARG 1 1HH2 ARG 1 5.924 16.847 16.847
13 2HH1 ARG 1 2HH2 ARG 1 7.370 17.317 17.317
14 1HH2 ARG 1 1HH1 ARG 1 5.528 19.003 19.003
15 2HH2 ARG 1 2HH1 ARG 1 7.136 18.609 18.609
16 H SER 2 H SER 2 -1.082 14.965 14.965
17 HA SER 2 HA SER 2 -2.392 13.661 13.661
18 1HB SER 2 2HB SER 2 -4.046 14.765 14.765
19 2HB SER 2 1HB SER 2 -4.498 14.615 14.615
20 HG SER 2 HG SER 2 -3.757 16.798 16.798
21 H CYS 3 H CYS 3 -3.287 11.628 11.628
22 HA CYS 3 HA CYS 3 -3.518 10.548 10.548
23 1HB CYS 3 2HB CYS 3 -1.754 8.802 8.802
24 2HB CYS 3 1HB CYS 3 -1.013 10.383 10.383
25 H ILE 4 H ILE 4 -4.664 8.484 8.484
26 HA ILE 4 HA ILE 4 -5.532 7.863 7.863
27 HB ILE 4 HB ILE 4 -7.892 7.673 7.673
28 1HG1 ILE 4 2HG1 ILE 4 -8.193 9.165 9.165
29 2HG1 ILE 4 1HG1 ILE 4 -6.563 8.637 8.637
30 1HG2 ILE 4 1HG2 ILE 4 -7.219 9.715 9.715
31 2HG2 ILE 4 3HG2 ILE 4 -6.689 10.449 10.449
32 3HG2 ILE 4 2HG2 ILE 4 -8.387 10.089 10.089
33 1HD1 ILE 4 2HD1 ILE 4 -8.885 6.728 6.728
34 2HD1 ILE 4 1HD1 ILE 4 -8.222 7.102 7.102
35 3HD1 ILE 4 3HD1 ILE 4 -7.249 6.241 6.241
36 H ASP 5 H ASP 5 -6.166 5.688 5.688
37 HA ASP 5 HA ASP 5 -4.830 3.804 3.804
38 1HB ASP 5 2HB ASP 5 -6.796 3.217 3.217
39 2HB ASP 5 1HB ASP 5 -5.517 2.157 2.157
40 H THR 6 H THR 6 -5.961 2.017 2.017
41 HA THR 6 HA THR 6 -8.855 2.271 2.271
42 HB THR 6 HB THR 6 -7.668 3.788 3.788
43 HG1 THR 6 1HG THR 6 -9.345 2.902 2.902
44 1HG2 THR 6 3HG2 THR 6 -5.465 2.456 2.456
45 2HG2 THR 6 2HG2 THR 6 -6.360 1.215 1.215
46 3HG2 THR 6 1HG2 THR 6 -6.163 2.811 2.811
47 H ILE 7 H ILE 7 -7.020 0.675 0.675
48 HA ILE 7 HA ILE 7 -7.446 -1.971 -1.971
49 HB ILE 7 HB ILE 7 -5.083 -0.989 -0.989
50 1HG1 ILE 7 2HG1 ILE 7 -3.793 -2.909 -2.909
51 2HG1 ILE 7 1HG1 ILE 7 -5.135 -3.519 -3.519
52 1HG2 ILE 7 1HG2 ILE 7 -5.147 0.130 0.130
53 2HG2 ILE 7 3HG2 ILE 7 -5.069 -1.438 -1.438
54 3HG2 ILE 7 2HG2 ILE 7 -3.738 -0.867 -0.867
55 1HD1 ILE 7 3HD1 ILE 7 -5.129 -3.155 -3.155
56 2HD1 ILE 7 2HD1 ILE 7 -4.990 -4.701 -4.701
57 3HD1 ILE 7 1HD1 ILE 7 -6.477 -3.785 -3.785
58 HA PRO 8 HA PRO 8 -8.562 -3.334 -3.334
59 1HB PRO 8 2HB PRO 8 -7.884 -5.954 -5.954
60 2HB PRO 8 1HB PRO 8 -9.495 -5.309 -5.309
61 1HG PRO 8 2HG PRO 8 -7.071 -5.394 -5.394
62 2HG PRO 8 1HG PRO 8 -8.663 -6.140 -6.140
63 1HD PRO 8 2HD PRO 8 -8.400 -3.735 -3.735
64 2HD PRO 8 1HD PRO 8 -9.752 -3.919 -3.919
65 H LYS 9 H LYS 9 -7.093 -2.791 -2.791
66 HA LYS 9 HA LYS 9 -4.323 -2.532 -2.532
67 1HB LYS 9 2HB LYS 9 -5.670 -1.661 -1.661
68 2HB LYS 9 1HB LYS 9 -5.790 -3.286 -3.286
69 1HG LYS 9 2HG LYS 9 -3.004 -2.331 -2.331
70 2HG LYS 9 1HG LYS 9 -3.838 -1.622 -1.622
71 1HD LYS 9 2HD LYS 9 -4.005 -3.786 -3.786
72 2HD LYS 9 1HD LYS 9 -3.469 -4.632 -4.632
73 1HE LYS 9 2HE LYS 9 -1.562 -4.341 -4.341
74 2HE LYS 9 1HE LYS 9 -1.236 -3.565 -3.565
75 1HZ LYS 9 1HZ LYS 9 -2.585 -1.724 -1.724
76 2HZ LYS 9 3HZ LYS 9 -1.280 -2.364 -2.364
77 3HZ LYS 9 2HZ LYS 9 -1.035 -1.594 -1.594
78 H SER 10 H SER 10 -6.348 -5.094 -5.094
79 HA SER 10 HA SER 10 -4.814 -7.077 -7.077
80 1HB SER 10 2HB SER 10 -6.747 -7.788 -7.788
81 2HB SER 10 1HB SER 10 -6.771 -8.395 -8.395
82 HG SER 10 HG SER 10 -8.308 -6.894 -6.894
83 H ARG 11 H ARG 11 -4.920 -5.877 -5.877
84 HA ARG 11 HA ARG 11 -2.964 -7.825 -7.825
85 1HB ARG 11 2HB ARG 11 -5.121 -6.380 -6.380
86 2HB ARG 11 1HB ARG 11 -3.703 -5.532 -5.532
87 1HG ARG 11 2HG ARG 11 -4.279 -7.276 -7.276
88 2HG ARG 11 1HG ARG 11 -2.737 -7.623 -7.623
89 1HD ARG 11 2HD ARG 11 -4.247 -9.124 -9.124
90 2HD ARG 11 1HD ARG 11 -5.403 -8.999 -8.999
91 HE ARG 11 HE ARG 11 -2.587 -10.014 -10.014
92 1HH1 ARG 11 2HH1 ARG 11 -3.725 -9.716 -9.716
93 2HH1 ARG 11 1HH1 ARG 11 -4.702 -11.102 -11.102
94 1HH2 ARG 11 1HH2 ARG 11 -4.757 -11.890 -11.890
95 2HH2 ARG 11 2HH2 ARG 11 -5.327 -12.452 -12.452
96 H CYS 12 H CYS 12 -2.809 -5.328 -5.328
97 HA CYS 12 HA CYS 12 -0.194 -4.321 -4.321
98 1HB CYS 12 2HB CYS 12 -2.330 -2.915 -2.915
99 2HB CYS 12 1HB CYS 12 -0.954 -2.238 -2.238
100 H THR 13 H THR 13 -1.256 -6.635 -6.635
101 HA THR 13 HA THR 13 -0.688 -6.124 -6.124
102 HB THR 13 HB THR 13 -2.003 -8.177 -8.177
103 HG1 THR 13 1HG THR 13 -0.134 -9.710 -9.710
104 1HG2 THR 13 3HG2 THR 13 0.412 -9.114 -9.114
105 2HG2 THR 13 2HG2 THR 13 -1.078 -10.015 -10.015
106 3HG2 THR 13 1HG2 THR 13 -1.121 -8.596 -8.596
107 H ALA 14 H ALA 14 1.210 -6.681 -6.681
108 HA ALA 14 HA ALA 14 3.559 -5.553 -5.553
109 1HB ALA 14 2HB ALA 14 3.417 -8.178 -8.178
110 2HB ALA 14 1HB ALA 14 4.801 -7.102 -7.102
111 3HB ALA 14 3HB ALA 14 3.335 -6.572 -6.572
112 H PHE 15 H PHE 15 2.423 -8.644 -8.644
113 HA PHE 15 HA PHE 15 4.675 -9.839 -9.839
114 1HB PHE 15 2HB PHE 15 1.946 -10.407 -10.407
115 2HB PHE 15 1HB PHE 15 3.198 -11.521 -11.521
116 HD1 PHE 15 1HD PHE 15 3.349 -10.315 -10.315
117 HD2 PHE 15 2HD PHE 15 0.215 -11.855 -11.855
118 HE1 PHE 15 1HE PHE 15 2.088 -10.936 -10.936
119 HE2 PHE 15 2HE PHE 15 -1.033 -12.481 -12.481
120 HZ PHE 15 HZ PHE 15 -0.109 -12.020 -12.020
121 H GLN 16 H GLN 16 1.949 -8.082 -8.082
122 HA GLN 16 HA GLN 16 3.172 -7.797 -7.797
123 1HB GLN 16 2HB GLN 16 0.694 -6.321 -6.321
124 2HB GLN 16 1HB GLN 16 1.107 -6.500 -6.500
125 1HG GLN 16 2HG GLN 16 1.135 -9.091 -9.091
126 2HG GLN 16 1HG GLN 16 -0.344 -8.308 -8.308
127 1HE2 GLN 16 2HE2 GLN 16 -0.801 -8.027 -8.027
128 2HE2 GLN 16 1HE2 GLN 16 -0.255 -6.800 -6.800
129 H CYS 17 H CYS 17 2.346 -5.563 -5.563
130 HA CYS 17 HA CYS 17 3.382 -3.202 -3.202
131 1HB CYS 17 2HB CYS 17 3.094 -4.414 -4.414
132 2HB CYS 17 1HB CYS 17 4.250 -3.149 -3.149
133 H LYS 18 H LYS 18 5.199 -5.896 -5.896
134 HA LYS 18 HA LYS 18 7.706 -4.449 -4.449
135 1HB LYS 18 2HB LYS 18 7.393 -5.309 -5.309
136 2HB LYS 18 1HB LYS 18 7.099 -6.916 -6.916
137 1HG LYS 18 2HG LYS 18 9.722 -5.849 -5.849
138 2HG LYS 18 1HG LYS 18 9.572 -5.857 -5.857
139 1HD LYS 18 2HD LYS 18 9.244 -8.193 -8.193
140 2HD LYS 18 1HD LYS 18 8.681 -8.354 -8.354
141 1HE LYS 18 2HE LYS 18 11.557 -7.637 -7.637
142 2HE LYS 18 1HE LYS 18 11.009 -9.257 -9.257
143 1HZ LYS 18 1HZ LYS 18 10.102 -7.535 -7.535
144 2HZ LYS 18 3HZ LYS 18 11.725 -7.152 -7.152
145 3HZ LYS 18 2HZ LYS 18 11.269 -8.745 -8.745
146 H HIS 19 H HIS 19 5.862 -7.003 -7.003
147 HA HIS 19 HA HIS 19 8.228 -7.589 -7.589
148 1HB HIS 19 2HB HIS 19 6.449 -9.660 -9.660
149 2HB HIS 19 1HB HIS 19 7.134 -10.000 -10.000
150 HD1 HIS 19 1HD HIS 19 9.803 -9.655 -9.655
151 HD2 HIS 19 2HD HIS 19 8.057 -10.414 -10.414
152 HE1 HIS 19 1HE HIS 19 11.534 -10.554 -10.554
153 H SER 20 H SER 20 5.569 -6.039 -6.039
154 HA SER 20 HA SER 20 4.847 -6.819 -6.819
155 1HB SER 20 2HB SER 20 2.751 -6.470 -6.470
156 2HB SER 20 1HB SER 20 2.546 -6.949 -6.949
157 HG SER 20 HG SER 20 4.364 -8.575 -8.575
158 H MET 21 H MET 21 6.109 -4.676 -4.676
159 HA MET 21 HA MET 21 4.910 -2.262 -2.262
160 1HB MET 21 2HB MET 21 6.612 -2.772 -2.772
161 2HB MET 21 1HB MET 21 6.038 -1.176 -1.176
162 1HG MET 21 2HG MET 21 7.154 -1.885 -1.885
163 2HG MET 21 1HG MET 21 8.161 -2.802 -2.802
164 1HE MET 21 3HE MET 21 6.397 0.653 0.653
165 2HE MET 21 2HE MET 21 7.348 0.719 0.719
166 3HE MET 21 1HE MET 21 7.753 1.750 1.750
167 1HN DNP 22 HN DAP 22 3.900 -4.453 -4.453
168 HA DNP 22 HA DAP 22 2.314 -2.639 -2.639
169 1HB DNP 22 1HB DAP 22 0.939 -4.599 -4.599
170 2HB DNP 22 2HB DAP 22 1.556 -5.532 -5.532
171 1HG DNP 22 1HG DAP 22 2.665 -5.271 -5.271
172 2HG DNP 22 2HG DAP 22 3.241 -6.190 -6.190
173 3HG DNP 22 3HG DAP 22 3.779 -4.584 -4.584
174 H TYR 23 H TYR 23 1.977 -2.853 -2.853
175 HA TYR 23 HA TYR 23 -0.865 -2.092 -2.092
176 1HB TYR 23 2HB TYR 23 0.377 -3.696 -3.696
177 2HB TYR 23 1HB TYR 23 -1.319 -3.259 -3.259
178 HD1 TYR 23 1HD TYR 23 1.355 -5.246 -5.246
179 HD2 TYR 23 2HD TYR 23 -2.792 -4.435 -4.435
180 HE1 TYR 23 1HE TYR 23 0.945 -7.257 -7.257
181 HE2 TYR 23 2HE TYR 23 -3.218 -6.422 -6.422
182 HH TYR 23 HH TYR 23 -0.742 -8.745 -8.745
183 H ARG 24 H ARG 24 1.699 -2.187 -2.187
184 HA ARG 24 HA ARG 24 1.533 -0.013 -0.013
185 1HB ARG 24 2HB ARG 24 3.096 -1.804 -1.804
186 2HB ARG 24 1HB ARG 24 4.011 -1.066 -1.066
187 1HG ARG 24 2HG ARG 24 4.497 0.733 0.733
188 2HG ARG 24 1HG ARG 24 3.122 0.736 0.736
189 1HD ARG 24 2HD ARG 24 4.684 0.171 0.171
190 2HD ARG 24 1HD ARG 24 4.360 -1.447 -1.447
191 HE ARG 24 HE ARG 24 6.288 -0.994 -0.994
192 1HH1 ARG 24 1HH2 ARG 24 6.843 1.601 1.601
193 2HH1 ARG 24 2HH2 ARG 24 8.223 1.210 1.210
194 1HH2 ARG 24 2HH1 ARG 24 7.449 -2.245 -2.245
195 2HH2 ARG 24 1HH1 ARG 24 8.650 -1.250 -1.250
196 H LEU 25 H LEU 25 2.880 -0.112 -0.112
197 HA LEU 25 HA LEU 25 4.073 2.397 2.397
198 1HB LEU 25 2HB LEU 25 4.321 0.409 0.409
199 2HB LEU 25 1HB LEU 25 2.823 0.614 0.614
200 HG LEU 25 HG LEU 25 3.580 2.905 2.905
201 1HD1 LEU 25 3HD1 LEU 25 5.494 3.267 3.267
202 2HD1 LEU 25 2HD1 LEU 25 6.335 1.917 1.917
203 3HD1 LEU 25 1HD1 LEU 25 5.997 3.360 3.360
204 1HD2 LEU 25 3HD2 LEU 25 5.187 0.451 0.451
205 2HD2 LEU 25 2HD2 LEU 25 3.564 0.867 0.867
206 3HD2 LEU 25 1HD2 LEU 25 4.913 1.900 1.900
207 H SER 26 H SER 26 1.244 1.507 1.507
208 HA SER 26 HA SER 26 0.274 4.325 4.325
209 1HB SER 26 2HB SER 26 0.870 2.870 2.870
210 2HB SER 26 1HB SER 26 -0.729 3.598 3.598
211 HG SER 26 HG SER 26 1.807 4.793 4.793
212 H PHE 27 H PHE 27 -0.410 1.317 1.317
213 HA PHE 27 HA PHE 27 -3.387 1.787 1.787
214 1HB PHE 27 2HB PHE 27 -2.206 -0.784 -0.784
215 2HB PHE 27 1HB PHE 27 -3.798 -0.457 -0.457
216 HD1 PHE 27 1HD PHE 27 -0.362 0.095 0.095
217 HD2 PHE 27 2HD PHE 27 -4.282 -1.568 -1.568
218 HE1 PHE 27 1HE PHE 27 0.184 -0.682 -0.682
219 HE2 PHE 27 2HE PHE 27 -3.729 -2.362 -2.362
220 HZ PHE 27 HZ PHE 27 -1.493 -1.929 -1.929
221 H CYS 28 H CYS 28 -1.014 1.108 1.108
222 HA CYS 28 HA CYS 28 -3.149 1.596 1.596
223 1HB CYS 28 2HB CYS 28 -0.621 0.345 0.345
224 2HB CYS 28 1HB CYS 28 -2.286 -0.119 -0.119
225 H ARG 29 H ARG 29 -1.933 3.539 3.539
226 HA ARG 29 HA ARG 29 0.184 5.013 5.013
227 1HB ARG 29 2HB ARG 29 -2.657 5.577 5.577
228 2HB ARG 29 1HB ARG 29 -1.646 6.896 6.896
229 1HG ARG 29 2HG ARG 29 -0.304 6.844 6.844
230 2HG ARG 29 1HG ARG 29 -0.627 5.156 5.156
231 1HD ARG 29 2HD ARG 29 -2.507 5.521 5.521
232 2HD ARG 29 1HD ARG 29 -3.009 6.914 6.914
233 HE ARG 29 HE ARG 29 -1.779 8.328 8.328
234 1HH1 ARG 29 1HH2 ARG 29 0.720 8.194 8.194
235 2HH1 ARG 29 2HH2 ARG 29 0.996 7.102 7.102
236 1HH2 ARG 29 2HH1 ARG 29 -2.173 5.685 5.685
237 2HH2 ARG 29 1HH1 ARG 29 -0.672 5.763 5.763
238 H LYS 30 H LYS 30 -2.637 5.223 5.223
239 HA LYS 30 HA LYS 30 -0.977 6.449 6.449
240 1HB LYS 30 2HB LYS 30 -3.923 5.841 5.841
241 2HB LYS 30 1HB LYS 30 -2.982 7.151 7.151
242 1HG LYS 30 2HG LYS 30 -3.271 7.259 7.259
243 2HG LYS 30 1HG LYS 30 -4.790 7.298 7.298
244 1HD LYS 30 2HD LYS 30 -4.201 9.630 9.630
245 2HD LYS 30 1HD LYS 30 -3.715 9.197 9.197
246 1HE LYS 30 2HE LYS 30 -1.245 9.017 9.017
247 2HE LYS 30 1HE LYS 30 -1.795 9.423 9.423
248 1HZ LYS 30 1HZ LYS 30 -2.822 11.389 11.389
249 2HZ LYS 30 3HZ LYS 30 -1.181 11.233 11.233
250 3HZ LYS 30 2HZ LYS 30 -1.594 11.535 11.535
251 H THR 31 H THR 31 -3.210 3.933 3.933
252 HA THR 31 HA THR 31 -3.416 2.440 2.440
253 HB THR 31 HB THR 31 -3.275 1.562 1.562
254 HG1 THR 31 1HG THR 31 -5.186 2.597 2.597
255 1HG2 THR 31 2HG2 THR 31 -3.944 -0.182 -0.182
256 2HG2 THR 31 1HG2 THR 31 -4.048 -0.538 -0.538
257 3HG2 THR 31 3HG2 THR 31 -2.471 -0.386 -0.386
258 H CYS 32 H CYS 32 -0.546 2.503 2.503
259 HA CYS 32 HA CYS 32 0.651 0.578 0.578
260 1HB CYS 32 2HB CYS 32 0.719 0.001 0.001
261 2HB CYS 32 1HB CYS 32 1.819 1.349 1.349
262 H GLY 33 H GLY 33 1.101 3.600 3.600
263 1HA GLY 33 2HA GLY 33 1.924 5.512 5.512
264 2HA GLY 33 1HA GLY 33 3.057 4.372 4.372
265 H THR 34 H THR 34 2.109 5.156 5.156
266 HA THR 34 HA THR 34 5.024 5.270 5.270
267 HB THR 34 HB THR 34 3.750 5.327 5.327
268 HG1 THR 34 1HG THR 34 2.074 3.626 3.626
269 1HG2 THR 34 3HG2 THR 34 5.389 3.491 3.491
270 2HG2 THR 34 2HG2 THR 34 3.970 2.784 2.784
271 3HG2 THR 34 1HG2 THR 34 4.112 2.866 2.866
272 H CYS 35 HN CYS 35 1.993 7.240 7.240
273 HA CYS 35 HA CYS 35 3.754 9.582 9.582
274 1HB CYS 35 2HB CYS 35 1.813 10.270 10.270
275 2HB CYS 35 1HB CYS 35 2.957 9.157 9.157
Start of MODEL 20
1 1H ARG 1 2H ARG 1 -0.602 17.627 17.627
2 2H ARG 1 1H ARG 1 0.839 17.871 17.871
3 3H ARG 1 3H ARG 1 -0.428 19.008 19.008
4 HA ARG 1 HA ARG 1 -1.352 17.859 17.859
5 1HB ARG 1 2HB ARG 1 0.996 15.968 15.968
6 2HB ARG 1 1HB ARG 1 -0.157 15.590 15.590
7 1HG ARG 1 2HG ARG 1 1.321 18.260 18.260
8 2HG ARG 1 1HG ARG 1 2.064 16.794 16.794
9 1HD ARG 1 2HD ARG 1 0.081 16.445 16.445
10 2HD ARG 1 1HD ARG 1 -0.583 17.980 17.980
11 HE ARG 1 HE ARG 1 2.129 17.845 17.845
12 1HH1 ARG 1 1HH1 ARG 1 1.475 20.463 20.463
13 2HH1 ARG 1 2HH1 ARG 1 0.580 21.151 21.151
14 1HH2 ARG 1 1HH2 ARG 1 -0.076 17.940 17.940
15 2HH2 ARG 1 2HH2 ARG 1 -0.368 19.617 19.617
16 H SER 2 H SER 2 -2.747 15.884 15.884
17 HA SER 2 HA SER 2 -3.304 14.391 14.391
18 1HB SER 2 2HB SER 2 -5.422 15.475 15.475
19 2HB SER 2 1HB SER 2 -5.697 14.783 14.783
20 HG SER 2 HG SER 2 -5.275 16.706 16.706
21 H CYS 3 H CYS 3 -3.497 12.170 12.170
22 HA CYS 3 HA CYS 3 -4.011 11.199 11.199
23 1HB CYS 3 2HB CYS 3 -1.926 9.823 9.823
24 2HB CYS 3 1HB CYS 3 -1.607 11.519 11.519
25 H ILE 4 H ILE 4 -4.862 9.086 9.086
26 HA ILE 4 HA ILE 4 -5.215 8.022 8.022
27 HB ILE 4 HB ILE 4 -7.623 7.529 7.529
28 1HG1 ILE 4 2HG1 ILE 4 -8.483 9.112 9.112
29 2HG1 ILE 4 1HG1 ILE 4 -6.849 9.096 9.096
30 1HG2 ILE 4 3HG2 ILE 4 -7.069 9.537 9.537
31 2HG2 ILE 4 2HG2 ILE 4 -6.846 10.470 10.470
32 3HG2 ILE 4 1HG2 ILE 4 -8.435 9.850 9.850
33 1HD1 ILE 4 1HD1 ILE 4 -8.587 6.621 6.621
34 2HD1 ILE 4 3HD1 ILE 4 -8.232 7.389 7.389
35 3HD1 ILE 4 2HD1 ILE 4 -6.962 6.586 6.586
36 H ASP 5 H ASP 5 -5.828 5.937 5.937
37 HA ASP 5 HA ASP 5 -4.508 4.009 4.009
38 1HB ASP 5 2HB ASP 5 -6.439 3.546 3.546
39 2HB ASP 5 1HB ASP 5 -5.257 2.448 2.448
40 H THR 6 H THR 6 -5.833 2.194 2.194
41 HA THR 6 HA THR 6 -8.739 2.557 2.557
42 HB THR 6 HB THR 6 -7.850 3.988 3.988
43 HG1 THR 6 1HG THR 6 -8.727 1.415 1.415
44 1HG2 THR 6 2HG2 THR 6 -6.364 1.486 1.486
45 2HG2 THR 6 1HG2 THR 6 -6.441 3.037 3.037
46 3HG2 THR 6 3HG2 THR 6 -5.581 2.895 2.895
47 H ILE 7 H ILE 7 -6.809 0.919 0.919
48 HA ILE 7 HA ILE 7 -7.419 -1.707 -1.707
49 HB ILE 7 HB ILE 7 -4.990 -0.851 -0.851
50 1HG1 ILE 7 2HG1 ILE 7 -3.917 -2.962 -2.962
51 2HG1 ILE 7 1HG1 ILE 7 -5.491 -3.465 -3.465
52 1HG2 ILE 7 1HG2 ILE 7 -5.009 0.201 0.201
53 2HG2 ILE 7 3HG2 ILE 7 -5.103 -1.382 -1.382
54 3HG2 ILE 7 2HG2 ILE 7 -3.710 -0.941 -0.941
55 1HD1 ILE 7 2HD1 ILE 7 -6.311 -3.336 -3.336
56 2HD1 ILE 7 1HD1 ILE 7 -4.685 -2.905 -2.905
57 3HD1 ILE 7 3HD1 ILE 7 -5.010 -4.487 -4.487
58 HA PRO 8 HA PRO 8 -8.479 -2.965 -2.965
59 1HB PRO 8 2HB PRO 8 -8.293 -5.627 -5.627
60 2HB PRO 8 1HB PRO 8 -9.682 -4.775 -4.775
61 1HG PRO 8 2HG PRO 8 -7.006 -5.428 -5.428
62 2HG PRO 8 1HG PRO 8 -8.612 -5.976 -5.976
63 1HD PRO 8 2HD PRO 8 -7.678 -3.764 -3.764
64 2HD PRO 8 1HD PRO 8 -9.336 -3.692 -3.692
65 H LYS 9 H LYS 9 -7.097 -2.700 -2.700
66 HA LYS 9 HA LYS 9 -4.298 -2.759 -2.759
67 1HB LYS 9 2HB LYS 9 -5.568 -1.750 -1.750
68 2HB LYS 9 1HB LYS 9 -5.997 -3.344 -3.344
69 1HG LYS 9 2HG LYS 9 -3.072 -2.752 -2.752
70 2HG LYS 9 1HG LYS 9 -3.868 -2.063 -2.063
71 1HD LYS 9 2HD LYS 9 -4.364 -4.319 -4.319
72 2HD LYS 9 1HD LYS 9 -3.796 -5.059 -5.059
73 1HE LYS 9 2HE LYS 9 -1.977 -5.173 -5.173
74 2HE LYS 9 1HE LYS 9 -1.500 -4.116 -4.116
75 1HZ LYS 9 2HZ LYS 9 -2.858 -2.601 -2.601
76 2HZ LYS 9 1HZ LYS 9 -1.614 -3.484 -3.484
77 3HZ LYS 9 3HZ LYS 9 -1.258 -2.442 -2.442
78 H SER 10 H SER 10 -6.619 -5.053 -5.053
79 HA SER 10 HA SER 10 -5.447 -7.262 -7.262
80 1HB SER 10 2HB SER 10 -7.207 -7.660 -7.660
81 2HB SER 10 1HB SER 10 -7.406 -8.370 -8.370
82 HG SER 10 HG SER 10 -8.845 -6.770 -6.770
83 H ARG 11 H ARG 11 -5.173 -5.992 -5.992
84 HA ARG 11 HA ARG 11 -3.560 -8.194 -8.194
85 1HB ARG 11 2HB ARG 11 -5.234 -6.496 -6.496
86 2HB ARG 11 1HB ARG 11 -3.813 -5.465 -5.465
87 1HG ARG 11 2HG ARG 11 -3.888 -6.657 -6.657
88 2HG ARG 11 1HG ARG 11 -2.538 -7.198 -7.198
89 1HD ARG 11 2HD ARG 11 -3.797 -9.211 -9.211
90 2HD ARG 11 1HD ARG 11 -5.192 -8.682 -8.682
91 HE ARG 11 HE ARG 11 -2.496 -9.131 -9.131
92 1HH1 ARG 11 1HH2 ARG 11 -4.892 -8.312 -8.312
93 2HH1 ARG 11 2HH2 ARG 11 -5.437 -9.773 -9.773
94 1HH2 ARG 11 2HH1 ARG 11 -3.528 -11.666 -11.666
95 2HH2 ARG 11 1HH1 ARG 11 -4.579 -11.852 -11.852
96 H CYS 12 H CYS 12 -3.186 -5.002 -5.002
97 HA CYS 12 HA CYS 12 -0.208 -5.148 -5.148
98 1HB CYS 12 2HB CYS 12 -2.112 -2.949 -2.949
99 2HB CYS 12 1HB CYS 12 -0.761 -2.776 -2.776
100 H THR 13 H THR 13 -1.143 -7.018 -7.018
101 HA THR 13 HA THR 13 -1.206 -6.653 -6.653
102 HB THR 13 HB THR 13 -2.207 -8.697 -8.697
103 HG1 THR 13 1HG THR 13 -0.171 -10.106 -10.106
104 1HG2 THR 13 1HG2 THR 13 0.529 -9.367 -9.367
105 2HG2 THR 13 3HG2 THR 13 -0.898 -10.409 -10.409
106 3HG2 THR 13 2HG2 THR 13 -0.948 -8.910 -8.910
107 H ALA 14 H ALA 14 0.544 -7.730 -7.730
108 HA ALA 14 HA ALA 14 2.929 -6.221 -6.221
109 1HB ALA 14 2HB ALA 14 2.522 -8.805 -8.805
110 2HB ALA 14 1HB ALA 14 3.869 -7.698 -7.698
111 3HB ALA 14 3HB ALA 14 2.246 -7.178 -7.178
112 H PHE 15 H PHE 15 1.968 -8.962 -8.962
113 HA PHE 15 HA PHE 15 4.723 -9.866 -9.866
114 1HB PHE 15 2HB PHE 15 2.442 -11.121 -11.121
115 2HB PHE 15 1HB PHE 15 3.788 -11.866 -11.866
116 HD1 PHE 15 1HD PHE 15 3.520 -10.914 -10.914
117 HD2 PHE 15 2HD PHE 15 0.497 -12.128 -12.128
118 HE1 PHE 15 1HE PHE 15 2.047 -11.506 -11.506
119 HE2 PHE 15 2HE PHE 15 -0.975 -12.717 -12.717
120 HZ PHE 15 HZ PHE 15 -0.199 -12.403 -12.403
121 H GLN 16 H GLN 16 2.262 -7.885 -7.885
122 HA GLN 16 HA GLN 16 3.744 -7.857 -7.857
123 1HB GLN 16 2HB GLN 16 0.914 -6.791 -6.791
124 2HB GLN 16 1HB GLN 16 1.621 -7.270 -7.270
125 1HG GLN 16 2HG GLN 16 1.792 -9.559 -9.559
126 2HG GLN 16 1HG GLN 16 0.211 -8.861 -8.861
127 1HE2 GLN 16 2HE2 GLN 16 1.652 -10.639 -10.639
128 2HE2 GLN 16 1HE2 GLN 16 2.760 -10.080 -10.080
129 H CYS 17 H CYS 17 2.581 -5.983 -5.983
130 HA CYS 17 HA CYS 17 2.976 -3.320 -3.320
131 1HB CYS 17 2HB CYS 17 2.032 -4.072 -4.072
132 2HB CYS 17 1HB CYS 17 3.635 -4.302 -4.302
133 H LYS 18 H LYS 18 5.122 -5.702 -5.702
134 HA LYS 18 HA LYS 18 7.478 -3.838 -3.838
135 1HB LYS 18 2HB LYS 18 6.950 -5.760 -5.760
136 2HB LYS 18 1HB LYS 18 8.009 -6.635 -6.635
137 1HG LYS 18 2HG LYS 18 9.428 -5.580 -5.580
138 2HG LYS 18 1HG LYS 18 9.653 -4.739 -4.739
139 1HD LYS 18 2HD LYS 18 8.132 -2.907 -2.907
140 2HD LYS 18 1HD LYS 18 7.773 -3.780 -3.780
141 1HE LYS 18 2HE LYS 18 10.207 -3.645 -3.645
142 2HE LYS 18 1HE LYS 18 10.535 -2.749 -2.749
143 1HZ LYS 18 3HZ LYS 18 8.413 -1.477 -1.477
144 2HZ LYS 18 2HZ LYS 18 9.675 -1.763 -1.763
145 3HZ LYS 18 1HZ LYS 18 9.969 -0.873 -0.873
146 H HIS 19 H HIS 19 5.805 -6.122 -6.122
147 HA HIS 19 HA HIS 19 8.159 -6.438 -6.438
148 1HB HIS 19 2HB HIS 19 6.167 -8.623 -8.623
149 2HB HIS 19 1HB HIS 19 7.490 -8.757 -8.757
150 HD1 HIS 19 1HD HIS 19 9.882 -7.959 -7.959
151 HD2 HIS 19 2HD HIS 19 6.953 -9.504 -9.504
152 HE1 HIS 19 1HE HIS 19 10.944 -8.776 -8.776
153 H SER 20 H SER 20 4.591 -6.535 -6.535
154 HA SER 20 HA SER 20 4.539 -6.577 -6.577
155 1HB SER 20 2HB SER 20 2.341 -5.981 -5.981
156 2HB SER 20 1HB SER 20 2.133 -6.502 -6.502
157 HG SER 20 HG SER 20 2.232 -8.442 -8.442
158 H MET 21 H MET 21 5.816 -4.754 -4.754
159 HA MET 21 HA MET 21 5.136 -1.989 -1.989
160 1HB MET 21 2HB MET 21 7.306 -3.044 -3.044
161 2HB MET 21 1HB MET 21 6.379 -3.080 -3.080
162 1HG MET 21 2HG MET 21 7.632 -1.149 -1.149
163 2HG MET 21 1HG MET 21 6.100 -0.529 -0.529
164 1HE MET 21 3HE MET 21 5.565 0.498 0.498
165 2HE MET 21 2HE MET 21 6.615 1.202 1.202
166 3HE MET 21 1HE MET 21 6.611 1.859 1.859
167 1HN DNP 22 HN DAP 22 3.754 -4.292 -4.292
168 HA DNP 22 HA DAP 22 2.409 -2.315 -2.315
169 1HB DNP 22 1HB DAP 22 0.738 -4.014 -4.014
170 2HB DNP 22 2HB DAP 22 1.220 -4.966 -4.966
171 1HG DNP 22 1HG DAP 22 3.512 -4.419 -4.419
172 2HG DNP 22 2HG DAP 22 2.290 -5.049 -5.049
173 3HG DNP 22 3HG DAP 22 2.806 -5.924 -5.924
174 H TYR 23 H TYR 23 1.459 -3.695 -3.695
175 HA TYR 23 HA TYR 23 -0.866 -1.860 -1.860
176 1HB TYR 23 2HB TYR 23 -0.209 -3.483 -3.483
177 2HB TYR 23 1HB TYR 23 -1.766 -3.066 -3.066
178 HD1 TYR 23 2HD TYR 23 -2.050 -4.139 -4.139
179 HD2 TYR 23 1HD TYR 23 0.172 -5.737 -5.737
180 HE1 TYR 23 2HE TYR 23 -2.299 -6.398 -6.398
181 HE2 TYR 23 1HE TYR 23 -0.070 -7.957 -7.957
182 HH TYR 23 HH TYR 23 -0.968 -8.648 -8.648
183 H ARG 24 H ARG 24 1.972 -2.532 -2.532
184 HA ARG 24 HA ARG 24 2.154 -0.357 -0.357
185 1HB ARG 24 2HB ARG 24 3.175 -2.843 -2.843
186 2HB ARG 24 1HB ARG 24 4.517 -1.957 -1.957
187 1HG ARG 24 2HG ARG 24 3.274 -1.714 -1.714
188 2HG ARG 24 1HG ARG 24 4.760 -2.551 -2.551
189 1HD ARG 24 2HD ARG 24 4.235 0.433 0.433
190 2HD ARG 24 1HD ARG 24 5.309 -0.486 -0.486
191 HE ARG 24 HE ARG 24 5.720 -0.204 -0.204
192 1HH1 ARG 24 2HH1 ARG 24 7.477 -2.140 -2.140
193 2HH1 ARG 24 1HH1 ARG 24 8.876 -1.491 -1.491
194 1HH2 ARG 24 1HH2 ARG 24 6.929 1.444 1.444
195 2HH2 ARG 24 2HH2 ARG 24 8.527 0.818 0.818
196 H LEU 25 H LEU 25 1.944 0.208 0.208
197 HA LEU 25 HA LEU 25 4.208 2.174 2.174
198 1HB LEU 25 2HB LEU 25 4.205 0.700 0.700
199 2HB LEU 25 1HB LEU 25 2.534 0.741 0.741
200 HG LEU 25 HG LEU 25 2.875 3.227 3.227
201 1HD1 LEU 25 1HD1 LEU 25 5.823 2.497 2.497
202 2HD1 LEU 25 3HD1 LEU 25 5.206 3.992 3.992
203 3HD1 LEU 25 2HD1 LEU 25 4.953 3.636 3.636
204 1HD2 LEU 25 1HD2 LEU 25 4.594 1.157 1.157
205 2HD2 LEU 25 3HD2 LEU 25 2.870 1.415 1.415
206 3HD2 LEU 25 2HD2 LEU 25 4.012 2.666 2.666
207 H SER 26 H SER 26 1.220 2.068 2.068
208 HA SER 26 HA SER 26 0.386 4.556 4.556
209 1HB SER 26 2HB SER 26 -0.702 4.988 4.988
210 2HB SER 26 1HB SER 26 1.077 5.078 5.078
211 HG SER 26 HG SER 26 -0.519 3.242 3.242
212 H PHE 27 H PHE 27 -0.310 1.500 1.500
213 HA PHE 27 HA PHE 27 -3.287 2.041 2.041
214 1HB PHE 27 2HB PHE 27 -2.158 -0.628 -0.628
215 2HB PHE 27 1HB PHE 27 -3.760 -0.218 -0.218
216 HD1 PHE 27 2HD PHE 27 -1.437 1.484 1.484
217 HD2 PHE 27 1HD PHE 27 -3.292 -2.262 -2.262
218 HE1 PHE 27 2HE PHE 27 -1.001 0.747 0.747
219 HE2 PHE 27 1HE PHE 27 -2.853 -2.987 -2.987
220 HZ PHE 27 HZ PHE 27 -1.704 -1.481 -1.481
221 H CYS 28 H CYS 28 -1.027 1.018 1.018
222 HA CYS 28 HA CYS 28 -3.245 1.504 1.504
223 1HB CYS 28 2HB CYS 28 -0.861 0.060 0.060
224 2HB CYS 28 1HB CYS 28 -2.547 -0.353 -0.353
225 H ARG 29 H ARG 29 -1.996 3.470 3.470
226 HA ARG 29 HA ARG 29 0.269 4.649 4.649
227 1HB ARG 29 2HB ARG 29 -2.495 5.638 5.638
228 2HB ARG 29 1HB ARG 29 -1.166 6.749 6.749
229 1HG ARG 29 2HG ARG 29 -0.159 5.581 5.581
230 2HG ARG 29 1HG ARG 29 -1.647 4.671 4.671
231 1HD ARG 29 2HD ARG 29 -2.203 6.275 6.275
232 2HD ARG 29 1HD ARG 29 -2.750 7.034 7.034
233 HE ARG 29 HE ARG 29 -0.654 8.373 8.373
234 1HH1 ARG 29 2HH1 ARG 29 1.212 7.297 7.297
235 2HH1 ARG 29 1HH1 ARG 29 1.118 8.069 8.069
236 1HH2 ARG 29 1HH2 ARG 29 -2.217 9.088 9.088
237 2HH2 ARG 29 2HH2 ARG 29 -1.023 9.220 9.220
238 H LYS 30 H LYS 30 -2.470 4.944 4.944
239 HA LYS 30 HA LYS 30 -0.594 5.853 5.853
240 1HB LYS 30 2HB LYS 30 -3.644 5.827 5.827
241 2HB LYS 30 1HB LYS 30 -2.574 6.783 6.783
242 1HG LYS 30 2HG LYS 30 -2.917 7.132 7.132
243 2HG LYS 30 1HG LYS 30 -3.683 8.144 8.144
244 1HD LYS 30 2HD LYS 30 -1.292 8.661 8.661
245 2HD LYS 30 1HD LYS 30 -0.712 7.856 7.856
246 1HE LYS 30 2HE LYS 30 -2.026 9.408 9.408
247 2HE LYS 30 1HE LYS 30 -2.631 10.228 10.228
248 1HZ LYS 30 2HZ LYS 30 0.234 10.087 10.087
249 2HZ LYS 30 1HZ LYS 30 -0.177 10.660 10.660
250 3HZ LYS 30 3HZ LYS 30 -0.737 11.469 11.469
251 H THR 31 H THR 31 -2.277 3.279 3.279
252 HA THR 31 HA THR 31 -2.795 1.961 1.961
253 HB THR 31 HB THR 31 -2.813 1.103 1.103
254 HG1 THR 31 1HG THR 31 -4.564 2.150 2.150
255 1HG2 THR 31 3HG2 THR 31 -3.647 -0.426 -0.426
256 2HG2 THR 31 2HG2 THR 31 -3.856 -0.924 -0.924
257 3HG2 THR 31 1HG2 THR 31 -2.242 -0.892 -0.892
258 H CYS 32 H CYS 32 -0.077 2.213 2.213
259 HA CYS 32 HA CYS 32 1.322 0.205 0.205
260 1HB CYS 32 2HB CYS 32 1.163 -0.471 -0.471
261 2HB CYS 32 1HB CYS 32 2.091 0.948 0.948
262 H GLY 33 H GLY 33 1.727 3.156 3.156
263 1HA GLY 33 2HA GLY 33 2.506 5.107 5.107
264 2HA GLY 33 1HA GLY 33 3.737 4.003 4.003
265 H THR 34 H THR 34 2.476 4.932 4.932
266 HA THR 34 HA THR 34 5.240 5.385 5.385
267 HB THR 34 HB THR 34 3.878 5.090 5.090
268 HG1 THR 34 1HG THR 34 2.128 3.503 3.503
269 1HG2 THR 34 2HG2 THR 34 4.028 2.767 2.767
270 2HG2 THR 34 1HG2 THR 34 3.942 2.637 2.637
271 3HG2 THR 34 3HG2 THR 34 5.391 3.267 3.267
272 H CYS 35 HN CYS 35 1.962 6.859 6.859
273 HA CYS 35 HA CYS 35 3.329 9.321 9.321
274 1HB CYS 35 2HB CYS 35 1.623 9.632 9.632
275 2HB CYS 35 1HB CYS 35 1.538 7.904 7.904